From 4878dc35c82f274bc36d183de25c79cf3ef5ecc5 Mon Sep 17 00:00:00 2001 From: Yvonnerericha <49251746+Yvonnerericha@users.noreply.github.com> Date: Wed, 17 Apr 2019 13:17:28 -0700 Subject: [PATCH] Delete tox21-ror-cho-viability-p1.csv --- tox21-ror-cho-viability-p1.csv | 33355 ------------------------------- 1 file changed, 33355 deletions(-) delete mode 100644 tox21-ror-cho-viability-p1.csv diff --git a/tox21-ror-cho-viability-p1.csv b/tox21-ror-cho-viability-p1.csv deleted file mode 100644 index f82f037..0000000 --- a/tox21-ror-cho-viability-p1.csv +++ /dev/null @@ -1,33355 +0,0 @@ -SAMPLE_ID SAMPLE_DATA_ID PROTOCOL_NAME SAMPLE_DATA_TYPE ASSAY_OUTCOME CURVE_CLASS2 AC50 EFFICACY ZERO_ACTIVITY INF_ACTIVITY HILL_COEF R2 P_HILL CHANNEL_OUTCOME DATA0 DATA1 DATA2 DATA3 DATA4 DATA5 DATA6 DATA7 DATA8 DATA9 DATA10 DATA11 DATA12 DATA13 DATA14 DATA15 CONC0 CONC1 CONC2 CONC3 CONC4 CONC5 CONC6 CONC7 CONC8 CONC9 CONC10 CONC11 CONC12 CONC13 CONC14 CONC15 CAS PUBCHEM_CID PUBCHEM_SID PURITY_RATING PURITY_RATING_4M SAMPLE_NAME SMILES TOX21_ID PURITY -NCGC00244579-01 196714144 tox21-ror-cho-viability-p1 set2 -3 136.8542877692 -39.18381444 -4 -43.18381444 0.7 0.4335846993 0.2395009379 -1.78404181 -6.12121775 1.22794256 -2.1595552 -1.49971408 -11.89246287 -8.57630382 -5.19030889 -17.71164626 -5.93819354 -7.29513984 -4.28648452 -5.89767514 -8.09724176 -32.6531787 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00091120-13 196713744 tox21-ror-cho-viability-p1 set2 4 -0.19911651 -4.8027555 -2.47127344 -0.07038375 -0.55751631 5.06267524 1.55721724 -2.77547167 -3.11862189 -4.15315055 0.48570022 1.84531648 -0.23416851 1.77160819 0.99063167 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 126-07-8 441140 170465739 A Griseofulvin O=C2c3c(O[C@]12C(=CC(=O)C[C@H]1C)OC)c(Cl)c(OC)cc3OC Tox21_111087_1 -NCGC00066947-05 196713745 tox21-ror-cho-viability-p1 set2 4 -0.5892388 -7.66610394 0.14731513 -0.54750602 1.32607206 -0.03721613 0.52626461 -4.11510156 0.34349781 -0.10643297 0.42226718 1.36765183 0.28665772 -0.30111524 0.64672762 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00016789-06 196713323 tox21-ror-cho-viability-p1 set2 4 2.51377083 1.79913645 -2.05900644 0.76531017 -1.19380477 -0.38831221 -1.141082 -1.31209156 -2.04036194 1.70711257 2.05587224 -1.05434688 0.97382011 3.24404066 3.78438437 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25155-18-4 14842 170466819 C Methylbenzethonium chloride [Cl-].CC(C)(C)CC(C)(C)c2ccc(OCCOCC[N+](C)(C)Cc1ccccc1)cc2C Tox21_113530_1 -NCGC00091839-03 196713329 tox21-ror-cho-viability-p1 set2 4 -5.31068282 -3.68472799 -3.75062464 -4.74479115 -6.43139458 -3.95190761 -4.25324216 -2.10152925 -3.15753525 -1.66227515 -1.13533842 0.04020638 0.74312535 -0.75114641 -10.11372707 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00258102-01 196715383 tox21-ror-cho-viability-p1 set2 -2.1 42.6617101382 -78.8845999783 1.3004338119 -77.5841661664 2.4063783767 0.9824218708 2.25E-8 1.14929502 -0.14547829 0.93774816 -0.41401218 0.96066338 1.95469887 0.31250207 2.15917236 -0.30068873 1.47861424 0.68949737 0.05675987 -0.35393153 -40.94745041 -64.83648952 1.166E-9 2.6069999999E-9 5.8279999999E-9 1.303E-8 2.9139999999E-8 6.516E-8 1.457E-7 3.2579999999E-7 7.286E-7 0.000001629 0.0000036429999999 0.0000081449999999 0.00001821 0.00004073 0.00009107 38713-56-3 586708 144207746 A A Nonylparaben Oc1ccc(cc1)C(=O)OCCCCCCCCC Tox21_200548 -NCGC00257609-01 196715374 tox21-ror-cho-viability-p1 set2 -2.2 12.0237035672 -52.4758229308 -4.052779454 -56.5286023848 1.4641 0.9610897237 0.0000057656 -0.36508537 0.94130122 -6.63093928 -1.66970523 -5.06537497 -1.41149129 -4.60020358 -7.35970035 -9.42914562 -10.39647512 -10.4199658 -21.15410129 -41.18059193 -49.58649332 17.58966456 1.166E-9 2.6069999999E-9 5.83E-9 1.304E-8 2.9149999999E-8 6.518E-8 1.457E-7 3.259E-7 7.287E-7 0.0000016299999999 0.0000036439999999 0.0000081479999999 0.00001822 0.00004074 0.00009109 5743-04-4 6537495 144207253 A A Cadmium acetate dihydrate O.[Cd+2].O.[O-]C(C)=O.[O-]C(C)=O Tox21_200055 -NCGC00261976-01 196713326 tox21-ror-cho-viability-p1 set2 4 6.6824247267 9.5866249679 -4.0866249679 5.5 0.5 0.7352657779 0.0249854154 -2.40562041 -4.47483591 -3.53317713 -6.73885414 -3.59446521 -2.51543712 -1.61902721 -1.35746425 -4.09933475 -2.67093436 0.97493133 0.45948263 0.50701519 0.85761985 3.96650595 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 120081-14-3 65938 170466626 I Fns Goralatide OC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(C)=O Tox21_113896 -NCGC00238452-03 196712916 tox21-ror-cho-viability-p1 set2 4 13.3331902297 -13.0451121399 0.5 -12.5451121399 1.24751 0.7794735405 0.0120640764 1.66095495 2.7499593 -2.59253128 -1.67999987 0.7653208 2.07765793 1.11801065 1.64227762 2.60925692 -2.76670713 0.47876024 -1.33552976 -6.00489876 -5.50305753 -11.28759345 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 170364-57-5 176167 170465609 A Enzastaurin Cn2cc(c1ccccc12)C=3C(=O)NC(=O)C=3c7cn(C5CCN(Cc4ncccc4)CC5)c6ccccc67 Tox21_113367_1 -NCGC00016322-13 196713313 tox21-ror-cho-viability-p1 set2 4 0.78895006 1.84523333 1.72736503 -0.84225839 0.81699377 1.11518566 0.60942269 -0.48271044 0.17802121 1.64158402 1.18024125 1.86662014 0.62056457 -0.93322562 1.38134899 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80-08-0 2955 170464895 A Dapsone Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2 Tox21_110371_1 -NCGC00257776-01 196715385 tox21-ror-cho-viability-p1 set2 4 3.38296393 6.50463054 3.56684126 0.38816873 4.45548741 -2.55683516 0.79440413 0.61522934 4.28151827 1.81082068 3.37999361 1.33729872 1.17427167 2.7408638 2.90072234 1.2149999999E-9 2.718E-9 6.077E-9 1.359E-8 3.0389999999E-8 6.794E-8 1.519E-7 3.397E-7 7.596E-7 0.000001699 0.000003798 0.000008493 0.000018989999999 0.00004246 0.00009495 91-17-8 7044 144207420 FNS Decalin C1CCC2CCCCC2C1 Tox21_200222 -NCGC00260200-01 196711758 tox21-ror-cho-viability-p1 set2 -2.2 48.2616000528 -62.9905584606 0.3648483599 -62.6257101007 2.4063783767 0.9891688086 1.3E-9 -0.25110123 1.59819277 0.12486075 2.041049 -0.51449101 0.14353597 -1.38221774 1.31834872 4.74112996 -0.87497597 -0.9893147 -0.26743667 -5.29490884 -24.63118194 -51.61038644 1.1739999999E-9 2.625E-9 5.871E-9 1.3129999999E-8 2.9349999999E-8 6.564E-8 1.468E-7 3.282E-7 7.338E-7 0.000001641 0.000003669 0.000008204 0.00001835 0.00004102 0.00009173 219947-96-3 24944555 144209850 A A 1-Methyl-3-octadecylimidazolium hexafluorophosphate F[P-](F)(F)(F)(F)F.C[n+]1ccn(CCCCCCCCCCCCCCCCCC)c1 Tox21_202652 -NCGC00319023-01 196712595 tox21-ror-cho-viability-p1 set2 4 -0.04204315 3.50250542 0.58220275 4.19345224 0.73985377 -0.24293476 -0.84892443 2.98407443 -0.14656073 1.83007207 4.02314026 2.47123168 4.19876475 1.83319047 -2.14015185 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 171049-14-2 80274 170466632 A F Lotrafiban O=C(c1ccc2N[C@@H](CC(=O)O)C(=O)N(C)Cc2c1)N3CCC(CC3)C4CCNCC4 Tox21_113989 -NCGC00162319-05 196712603 tox21-ror-cho-viability-p1 set2 4 1.60926317 1.62255056 1.54419643 -0.66603384 -0.95149001 0.30424787 0.34522275 -3.23034762 -2.81103086 0.24512092 -2.71951295 -0.22072905 1.03789392 -3.45701236 -3.88343982 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97466-90-5 57242 170466296 I Quinelorane Nc1ncc2C[C@H]3N(CCC[C@@H]3Cc2n1)CCC Tox21_112009_1 -NCGC00260651-01 196712180 tox21-ror-cho-viability-p1 set2 -2.4 29.8492948118 -33.3845354679 1 -32.3845354679 4.5044702849 0.8675485877 0.0012662978 -2.190182 -1.65103761 0.83408427 -1.34258037 -2.0005542 2.19985883 2.79670382 7.97642711 -2.68999025 4.94693321 2.4939831 3.73051039 0.54643871 -3.89041138 -28.23711289 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49547 144210304 M M NTP Mix92 ER AR1 18-EQP Tox21_203106 -NCGC00179424-04 196712582 tox21-ror-cho-viability-p1 set2 4 -0.2267429 -0.73746525 0.91917205 0.11355402 1.54737758 0.04576977 0.81692887 2.60723575 2.00475842 1.66979868 -0.9331049 0.3379348 1.83418955 1.39218067 2.45181604 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3759-92-0 92968 170466509 Fc Furaltadone hydrochloride Cl.[O-][N+](=O)c1ccc(o1)/C=N/N2CC(OC2=O)CN3CCOCC3 Tox21_110538_1 -NCGC00260134-01 196711774 tox21-ror-cho-viability-p1 set2 4 1.41313318 3.66839238 2.23431247 4.17541588 4.11278547 5.06978107 4.39598231 4.59012893 2.28832162 6.57392147 3.93379742 4.68214488 2.68599967 7.46289384 7.49604052 1.2069999999E-9 2.7E-9 6.037E-9 1.3499999999E-8 3.0179999999E-8 6.7489999999E-8 1.509E-7 3.375E-7 7.546E-7 0.000001687 0.000003773 0.000008436 0.00001886 0.00004218 0.000094319999999 10043-52-4 5284359 144209783 Calcium chloride [Ca+2].[Cl-].[Cl-] Tox21_202585 -NCGC00357271-01 196711757 tox21-ror-cho-viability-p1 set2 4 -1.41961488 -1.8023827 5.55868915 3.61923521 3.79748554 -2.32104604 -2.88663942 0.04755773 -3.76037938 7.64561557 -3.257569 6.29084129 2.48868049 -1.01898806 -6.31521393 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 596-03-2 11689 251919678 F 4',5'-Dibromofluorescein Brc4c5Oc1c(Br)c(O)ccc1C3(OC(=O)c2ccccc23)c5ccc4O Tox21_303911 -NCGC00091284-03 196711762 tox21-ror-cho-viability-p1 set2 4 -3.11642322 -3.83624097 -11.75298681 -6.74569929 -4.94477285 -6.39322283 -8.03282775 -11.61502999 -11.17463749 0 -16.90439091 0 -12.59274941 -1.35936708 0.13764996 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00255927-01 196710953 tox21-ror-cho-viability-p1 set2 4 3.02282109 1.4263433 0.6891386 2.74214116 -0.07402776 0.51041274 2.39359392 0.81213904 -1.29283243 0.62239655 0.16433091 1.99297265 -1.12925307 0.12587239 1.27935912 1.024E-9 2.2899999999E-9 5.12E-9 1.145E-8 2.56E-8 5.7239999999E-8 1.28E-7 2.862E-7 6.4E-7 0.000001431 0.0000032 0.000007155 0.000016 0.00003578 0.000079999999999 31677-93-7 62884 144212161 A A Bupropion hydrochloride Cl.O=C(c1cc(Cl)ccc1)C(C)NC(C)(C)C Tox21_301844 -NCGC00256106-01 196710956 tox21-ror-cho-viability-p1 set2 4 0.5448267328 6.1334418 -6.1334418 0 4.9549173134 0.6675783033 0.0547758404 -7.89724432 -7.4999817 -6.83394921 -4.32143346 0.04108527 -8.8612015 -7.8839385 -5.80651331 -0.88782054 0.28511651 -1.05982459 -0.77383368 -0.1909204 -0.85436123 3.0556008 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2224-15-9 16683 144212049 F Ac Ethylene glycol diglycidyl ether C(OCCOCC1CO1)C2CO2 Tox21_301732 -NCGC00254207-01 196699937 tox21-ror-cho-viability-p1 set1 4 1.24336167 0.86605287 0.34949692 -1.77758508 -0.70632928 -0.13118109 -0.30818126 -0.18873959 0.58898278 1.90137158 -5.20580619 -0.32752481 1.13856773 0.8436428 4.18770306 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-76-1 5541 144210431 A A Triacetin O=C(C)OC(COC(C)=O)COC(=O)C Tox21_300111 -NCGC00255198-01 196710545 tox21-ror-cho-viability-p1 set2 4 0.5448267328 5.4922707479 -6.4922707479 -1 4.9549173134 0.5484337373 0.1539894515 -2.00084814 -7.96945855 -3.17430611 -6.93467019 -6.90633176 -5.71418544 -12.07689229 -7.69762613 -1.7574363 -0.11389894 -0.22018754 -0.03792172 0.22722724 -4.56611235 -16.75673834 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7212-44-4 8888 144211699 Z Nerolidol C/C(C)=C\CCC(C)=CCCC(C)(O)C=C Tox21_301382 -NCGC00255782-01 196710537 tox21-ror-cho-viability-p1 set2 4 -16.81915711 -9.9959061 -37.0495493 -4.89474526 -2.63374357 -10.92999196 -1.17239082 -6.38636127 -4.82074364 -4.06559822 -6.01953419 -3.92701561 -8.88044709 -10.19916479 -14.07546568 1.085E-9 2.427E-9 5.427E-9 1.213E-8 2.713E-8 6.067E-8 1.3569999999E-7 3.034E-7 6.783E-7 0.0000015169999999 0.000003392 0.0000075839999999 0.00001696 0.00003792 0.00008479 15086-94-9 27020 144211870 2',4',5',7'-Tetrabromofluorescein Brc4c5Oc1c(Br)c(O)c(Br)cc1C3(OC(=O)c2ccccc23)c5cc(Br)c4O Tox21_301553 -NCGC00182990-01 196713005 tox21-ror-cho-viability-p1 set2 4 0.47973712 -3.53028898 0.34970883 1.10374296 -3.71462546 1.64860533 0.70965023 -0.12907528 -0.52045316 0.7716456 0.34081009 2.31958136 -0.34628373 -0.36067536 2.15198702 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87760-53-0 91273 144206869 A A Tandospirone O=C4N(CCCCN1CCN(CC1)c2ncccn2)C(=O)[C@@H]5[C@H]3CC[C@H](C3)[C@H]45 Tox21_113318 -NCGC00183005-01 196713015 tox21-ror-cho-viability-p1 set2 4 -1.99709442 -2.31023017 -2.24747153 -3.56542841 -2.27880632 -2.22366051 -3.84479838 -4.1298847 0.86696156 -2.86740262 1.35955306 -1.48865218 1.23960604 -1.24020288 0.95895061 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 263248-42-6 5282215 144206802 A A Zanapezil fumerate O=C(O)/C=C/C(=O)O.O=C(CCC2CCN(Cc1ccccc1)CC2)c3ccc4CCCCNc4c3 Tox21_113251 -NCGC00016372-07 196713022 tox21-ror-cho-viability-p1 set2 4 2.3710137656 10.9468290599 -0.4468290599 10.5 0.6 0.8254756786 0.0066512628 -1.2591627 0.70930756 0.03431978 -1.62235755 0.74789673 1.3528513 0.33084299 0.20252066 5.17612927 1.06890116 5.21644481 6.445809 5.68483541 9.08860333 1.22223102 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 121-19-7 5104 170465666 A 4-Hydroxy-3-nitrophenylarsonic acid O=[N+]([O-])c1cc(ccc1O)[As](O)(O)=O Tox21_110402_1 -NCGC00274079-01 196713413 tox21-ror-cho-viability-p1 set2 4 5.16284673 1.01494684 0 -0.05790666 4.6251952 -0.30508266 3.83113323 3.01356953 -0.76020279 -1.39793451 -2.14304056 -0.91251357 -1.21697041 0.9376474 -1.76936947 1.1799999999E-10 2.638E-10 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 1198-77-2 23697816 170465686 F Sodium urate [Na+].O=C1NC(=O)NC=2[N-]C(=O)NC1=2 Tox21_112696_1 -NCGC00255365-01 196710539 tox21-ror-cho-viability-p1 set2 4 76.9588215421 14.218188748 0.781811252 15 4.9549173134 0.5535026866 0.1339282169 0.12410777 0.44673647 -2.26515729 0.57120337 6.52653957 1.02124978 -1.79987735 -0.06726728 -1.05029789 -0.14481158 0.03451028 0.89243865 6.15898786 -0.52046128 11.59860718 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6284-40-8 8567 144212354 A A Meglumine O[C@H]([C@@H](O)CNC)[C@H](O)[C@H](O)CO Tox21_302037 -NCGC00256119-01 196710543 tox21-ror-cho-viability-p1 set2 4 -2.47549827 3.89313018 0.75723924 1.90990475 0.48865869 1.15145529 -6.88193165 -2.2427529 0.44470225 -2.48382866 0.00656523 -3.46472761 1.94897206 -3.60677346 -6.46939968 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6378-25-2 80786 144212118 A Z 2,4,5-Trichlorobenzenesulfonic acid Clc1cc(c(Cl)cc1Cl)S(=O)(=O)O Tox21_301801 -NCGC00091663-03 196699942 tox21-ror-cho-viability-p1 set1 4 -1.42513677 -1.70528992 -4.34187092 -5.94094373 -0.77155215 -6.55867619 0.05952851 -1.58752228 -3.896842 -9.86346849 0.15258205 -1.17502604 -9.00620233 -2.40220244 -2.20908646 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00254360-01 196699527 tox21-ror-cho-viability-p1 set1 4 -2.51691116 1.04498921 0.23152546 0.41739585 1.52645919 0.97951207 -2.27525336 -2.38377561 -2.01123811 1.23036932 -2.35769519 -1.64743767 -2.36949002 -0.63224591 -0.63744547 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-84-0 8346 144210867 A A Dioctyl phthalate O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCC Tox21_300549 -NCGC00254925-01 196699523 tox21-ror-cho-viability-p1 set1 4 43.2771256911 -21.6877867479 0 -21.6877867479 2.3331733767 0.9169786274 0.0001263815 4.06902561 0.15959224 -0.35309431 2.28695015 -1.75810922 1.45921762 -0.82800397 -0.06188472 -0.93064937 0.21937279 -1.21720046 -1.89805931 -0.63378295 -10.79015562 -18.48982229 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103577-45-3 3883 144211340 D D Lansoprazole FC(F)(F)COc3ccnc(CS(=O)c1nc2ccccc2n1)c3C Tox21_301023 -NCGC00254022-01 196699106 tox21-ror-cho-viability-p1 set1 4 -7.37975706 3.32099813 4.76272685 1.73780307 1.31165325 -0.91847585 1.70996515 2.01715903 3.88570911 0.97106682 -0.35541364 -1.01570728 0.37845153 -1.94558574 0.06105033 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-07-3 34 144210363 Ac 2-Chloroethanol ClCCO Tox21_300043 -NCGC00255002-01 196699511 tox21-ror-cho-viability-p1 set1 -1.1 0.4327712569 -55.88352162 1.3318541629 -54.5516674571 1.21 0.864801284 0.0013883577 -0.22459759 0.12510125 0.21008788 0.27258063 0.66756854 -1.45062326 -8.09091707 -25.77467544 -36.50996288 -42.77315485 -52.23129116 -50.37043939 -54.12153137 -30.25984422 -81.01388983 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 137-26-8 5455 144211419 A A Thiram CN(C)C(=S)SSC(=S)N(C)C Tox21_301102 -NCGC00254741-01 196699918 tox21-ror-cho-viability-p1 set1 4 1.63422764 0.4435578 0.21095872 1.00994308 -0.03087056 -4.2302111 2.32046241 0.13798348 3.3676894 1.8360832 0.41777241 -2.42704772 0.98614683 3.5642048 2.88154589 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004107 0.00009184 140-38-5 8796 144211154 A A 4-Chlorophenylurea Clc1ccc(NC(N)=O)cc1 Tox21_300837 -NCGC00253999-01 196699922 tox21-ror-cho-viability-p1 set1 4 6.6780085476 -21.035837716 1.5 -19.535837716 4.9549173134 0.9437914345 0.0000159462 1.82861128 0.83383772 2.70323404 2.95483353 -1.0311688 0.39112564 0.7471076 -0.23905961 0.8529189 0.37827902 4.09081225 -13.36859982 -24.19653143 -18.06453029 -16.25298005 1.154E-9 2.5799999999E-9 5.7689999999E-9 1.29E-8 2.884E-8 6.45E-8 1.4419999999E-7 3.225E-7 7.211E-7 0.000001612 0.000003606 0.0000080619999999 0.00001803 0.00004031 0.00009014 57-30-7 23674889 144210591 A A Phenobarbital sodium [Na+].CCC1(C(=O)N=C([O-])NC1=O)c2ccccc2 Tox21_300271 -NCGC00254061-01 196699926 tox21-ror-cho-viability-p1 set1 4 1.97182762 1.56695513 -1.03835036 2.8622925 3.32516198 -1.62511409 2.22875811 1.92006922 -0.02568258 -1.94274878 1.38916594 -0.11333402 4.12393576 2.98942104 2.37144964 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-42-2 8113 144210354 Fns Diethanolamine OCCNCCO Tox21_300034 -NCGC00254805-01 196699927 tox21-ror-cho-viability-p1 set1 4 -0.71302735 -2.49764038 0.87269807 1.42991572 0.92447867 -0.82957748 -2.54805325 0.08302455 1.262524 2.29532164 -0.04049809 0.92681447 -1.44851794 -1.3211123 1.9116329 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104098-48-8 91770 144211218 A A Imazapic O=C1N=C(NC1(C)C(C)C)c2ncc(C)cc2C(=O)O Tox21_300901 -NCGC00254659-01 196699512 tox21-ror-cho-viability-p1 set1 -1.1 0.1933118196 -94.8636162879 0.5308349713 -94.3327813166 4.9549173134 0.9735103589 2.387E-7 4.73389608 -0.58076389 -2.04879319 1.26126646 3.01206937 -2.51098888 -18.10465492 -98.85865673 -99.01444924 -70.60766594 -88.58326729 -97.72010346 -101.43309819 -98.98700124 -94.56917848 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76-87-9 6327657 144211071 A Triphenyltin hydroxide O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3 Tox21_300754 -NCGC00255804-01 196710160 tox21-ror-cho-viability-p1 set2 -2.4 38.5707788719 -19.256781848 -3 -22.256781848 3.5722481694 0.7763869407 0.0126167564 -2.80324267 -4.14766389 -2.06642349 -5.63007596 -1.33300147 -5.58021325 -4.29921282 -10.08489534 -0.22473054 0.24947322 0.45683953 1.23771945 -5.77915664 -14.23471248 -21.88065154 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5810-11-7 93011 144212301 A A 2-Chloro-N,N-dimethyl-3-oxobutanamide O=C(C)C(Cl)C(=O)N(C)C Tox21_301984 -NCGC00259993-01 196709345 tox21-ror-cho-viability-p1 set2 -2.2 35.7089225199 -37.1752012794 -2.7877468709 -39.9629481503 2.7202212143 0.9549457965 0.0000047499 -1.09606787 1.24939772 -2.76837716 -4.10217931 -1.81342025 -5.2737022 -1.64738194 -6.22981689 -0.57782994 -4.82597549 -4.15128569 -1.148848 -10.46701884 -24.21297566 -41.62807099 1.218E-9 2.723E-9 6.0889999999E-9 1.3619999999E-8 3.045E-8 6.808E-8 1.522E-7 3.4039999999E-7 7.611E-7 0.000001702 0.000003806 0.00000851 0.00001903 0.00004255 0.00009514 100-02-7 980 144209642 A A 4-Nitrophenol O=[N+]([O-])c1ccc(O)cc1 Tox21_202444 -NCGC00259518-01 196709346 tox21-ror-cho-viability-p1 set2 4 2.92274643 1.64256502 -0.81933262 0.11314758 0.62383958 -0.29071231 0.3161121 -1.41930154 0.56172963 1.31323064 2.72139787 3.21217491 -0.93084028 0.25494844 2.77974183 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004128 0.00009231 35367-38-5 37123 144209167 A A Diflubenzuron Clc2ccc(NC(=O)NC(=O)c1c(F)cccc1F)cc2 Tox21_201969 -NCGC00066947-05 196712219 tox21-ror-cho-viability-p1 set2 4 0.0086349218 6.892970096 -2.892970096 4 4.0949729863 0.6323702334 0.0761277882 -0.03639004 -6.57747508 -0.48686557 1.93511644 3.83268009 2.78987493 4.50592447 6.24982497 5.63853227 4.36217809 1.0168229 3.82314507 6.93595239 3.23323296 1.69036753 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00259495-01 196708521 tox21-ror-cho-viability-p1 set2 4 0.65250313 0.19050425 -3.94957961 -6.84373109 1.16892774 0.62225926 -0.60541766 -4.30921465 1.01411031 0.81322012 1.07832164 -4.9110274 -0.72785593 -3.85871261 -4.45966452 1.182E-9 2.6429999999E-9 5.91E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.304E-7 7.387E-7 0.0000016519999999 0.0000036939999999 0.000008259 0.000018469999999 0.000041299999999 0.00009234 156-43-4 9076 144209144 A A 4-Ethoxyaniline CCOc1ccc(N)cc1 Tox21_201946 -NCGC00258844-01 196708929 tox21-ror-cho-viability-p1 set2 4 -0.22632724 -1.59100545 -1.96274714 -6.16709757 -0.54630234 -0.94634484 0.83031393 -1.06878406 -2.96810738 -2.34297938 -2.03696463 -1.70100636 1.17107618 0.16883364 1.86485456 1.166E-9 2.6069999999E-9 5.83E-9 1.304E-8 2.9149999999E-8 6.5189999999E-8 1.458E-7 3.259E-7 7.288E-7 0.0000016299999999 0.0000036439999999 0.0000081479999999 0.00001822 0.00004074 0.000091099999999 119-93-7 8413 144208490 A A 3,3'-Dimethylbenzidine Cc1cc(ccc1N)c2ccc(N)c(C)c2 Tox21_201292 -NCGC00259291-01 196708938 tox21-ror-cho-viability-p1 set2 -3 58.9612366748 -54.103880708 2.0851464684 -52.0187342396 3.6272481694 0.9617711354 0.0000019058 3.30966332 1.52258456 1.07831709 5.8586356 0.65145667 -0.44004347 2.81829577 4.27618393 2.50924524 3.3399183 4.51656575 1.10273002 -4.35687088 -7.0770678 -42.43843503 1.1449999999E-9 2.559E-9 5.7229999999E-9 1.28E-8 2.861E-8 6.398E-8 1.431E-7 3.199E-7 7.154E-7 0.0000016 0.000003577 0.000007998 0.000017879999999 0.00003999 0.00008942 111-30-8 3485 144208940 D Glutaraldehyde O=CCCCC=O Tox21_201742 -NCGC00259947-01 196708917 tox21-ror-cho-viability-p1 set2 4 54.4826732819 -14.702540992 -1.5 -16.202540992 2.4063783767 0.7692736375 0.0145112236 -3.18826844 -1.43110754 -6.20468318 0.64647144 -0.66508072 -0.18763704 -1.97820048 -1.43160053 -1.13471139 -1.58272007 -1.15062372 -1.44113534 0.17116043 -7.58854926 -12.66878416 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 132-32-1 8588 144209596 A A 3-Amino-9-ethylcarbazole Nc2cc3c1ccccc1n(CC)c3cc2 Tox21_202398 -NCGC00259398-01 196708928 tox21-ror-cho-viability-p1 set2 4 0.0370096 -7.34782072 -5.87399005 -9.51890782 -4.49810866 4.64488597 -1.28275273 0.12750632 -1.90554252 -2.67089561 0.01239221 -5.57202659 -0.84839383 -7.85345078 -7.71476675 1.183E-9 2.645E-9 5.913E-9 1.322E-8 2.9569999999E-8 6.611E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.0000082639999999 0.00001848 0.00004132 0.0000924 123-77-3 31269 144209047 A Azodicarbonamide NC(=O)/N=N/C(N)=O Tox21_201849 -NCGC00258850-01 196708516 tox21-ror-cho-viability-p1 set2 4 19.9224361859 -19.218422372 -2.5 -21.718422372 3.1319983358 0.5231291246 0.1744304937 -0.69422704 -4.02629932 -15.76281071 -9.48190771 1.59908214 0.67917357 -1.77215928 0.16526191 0.76974267 0.74736046 -1.09507792 0.00704904 -13.05583357 -19.34868531 -2.14163835 1.21E-9 2.707E-9 6.052E-9 1.353E-8 3.0259999999E-8 6.767E-8 1.5129999999E-7 3.3829999999E-7 7.5649999999E-7 0.0000016919999999 0.0000037829999999 0.000008458 0.00001891 0.000042289999999 0.000094569999999 1918-02-1 15965 144208496 A A Picloram Nc1c(Cl)c(nc(Cl)c1Cl)C(=O)O Tox21_201298 -NCGC00255990-01 196710552 tox21-ror-cho-viability-p1 set2 4 0.21478614 3.45742577 0.05266545 -0.41411419 -0.11217202 4.70866998 -1.12524686 -1.1857819 0.28917918 -2.40415751 -0.29670364 -0.43076345 0.66264137 3.63852404 6.29314149 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1126-78-9 14310 144212385 A F N-Butylaniline CCCCNc1ccccc1 Tox21_302068 -NCGC00090962-05 196710978 tox21-ror-cho-viability-p1 set2 4 68.1713220381 -18.119124676 0.5 -17.619124676 4.9549173134 0.8165519139 0.0055882274 1.38796314 0.34800684 -0.06824288 1.37752832 0.02247557 -1.25923416 -1.9477412 1.11636081 -0.7429612 -2.40839077 0.69719538 4.45179799 2.90487953 0.57422852 -14.26593723 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00255257-01 196710990 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -16.077926516 1.5 -14.577926516 4.9549173134 0.8073841436 0.0069117051 4.82589734 0.91723953 1.97323853 0.4964493 2.60849819 -0.5889013 1.36986706 2.5931961 2.47575491 -1.07844633 -1.32010038 1.7479784 1.18931766 1.92815966 -11.73160543 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-04-0 2723 144212364 A A 4-Chloro-3,5-dimethylphenol Oc1cc(C)c(Cl)c(C)c1 Tox21_302047 -NCGC00255508-01 196710991 tox21-ror-cho-viability-p1 set2 -3 68.1713220381 -94.3061282011 -2.517989669 -96.8241178701 4.9549173134 0.9528911365 0.0000060604 -2.04455432 0.15728663 0.55758092 0.06247297 -0.45919099 -12.40941052 -10.85498839 -7.96869633 0.02669343 0.20393048 -0.72020223 0.40910457 -2.5168468 -5.06346533 -79.62231577 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 25155-18-4 14842 144211763 A A Methylbenzethonium chloride [Cl-].CC(C)(C)CC(C)(C)c2ccc(OCCOCC[N+](C)(C)Cc1ccccc1)cc2C Tox21_301446 -NCGC00255380-01 196700303 tox21-ror-cho-viability-p1 set1 -2.2 15.3553036427 -39.2591567581 0.8908197459 -38.3683370122 1.21 0.9633356528 0.000001508 0.33934648 0.15626243 0.56373426 0.6462091 -0.65354263 4.29153507 0.25265404 -1.11602054 0.42417332 1.28242084 -5.38658271 -11.76076842 -24.19099162 -23.5444582 -36.80026747 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 500-38-9 4534 144212488 A A Nordihydroguaiaretic acid Oc2ccc(CC(C)C(C)Cc1ccc(O)c(O)c1)cc2O Tox21_302171 -NCGC00357054-01 196711396 tox21-ror-cho-viability-p1 set2 4 -5.07218099 -9.18673626 -9.24143306 -5.57522286 -7.68128186 -16.14246134 -19.68978115 -2.83536489 -9.94164073 -8.72587868 -20.19137782 -44.52674844 -13.99184614 -6.23525856 4.45539421 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16867-04-2 28115 251919879 A 3-Hydroxy-2-pyridone OC1=CC=CNC1=O Tox21_303751 -NCGC00260579-01 196711814 tox21-ror-cho-viability-p1 set2 -3 7.4978038628 -41.9513090299 -3.5 -45.4513090299 4.9549173134 0.715843971 0.0491110017 -1.76250652 -2.27991119 -4.20581409 -3.62970441 -3.71128561 0.44689643 -0.65304357 -6.310108 -4.69345136 -19.54964694 -0.06617709 0.38416177 -34.81159775 -27.83688058 -4.04914029 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49475 144210232 M M NTP Mix56 CT1 3-EQP Tox21_203034 -NCGC00257051-01 196708099 tox21-ror-cho-viability-p1 set1 4 -10.7255668 -6.3995186 0.7380911 0.0641336 -0.39036246 -5.37320607 -0.87542827 -12.37990185 -0.11681561 0.15638278 -7.13442172 1.80717499 -0.59650508 1.72501886 -14.75926966 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-62-3 6978 144213506 A A 4-Methyl-2-nitroaniline O=[N+]([O-])c1cc(C)ccc1N Tox21_303189 -NCGC00259143-01 196708510 tox21-ror-cho-viability-p1 set2 4 -2.34559132 -0.56388558 0.94556906 -4.92741187 -2.19108471 -1.92880464 -1.73643497 -2.9375174 -1.58493296 -0.37781892 -0.34603728 1.45216513 -0.11192526 -0.39070047 0.14498097 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 0.000091709999999 70-55-3 6269 144208792 A A 4-Toluenesulfonamide Cc1ccc(cc1)S(=O)(N)=O Tox21_201594 -NCGC00255845-01 196700302 tox21-ror-cho-viability-p1 set1 -1.2 5.8886436028 -48.9284287821 2.9035780305 -46.0248507516 1.713743691 0.9852151582 8.2E-9 3.41007343 1.58005908 1.40362269 2.44199642 4.91702994 7.06744673 1.212298 4.78727706 -0.97781879 -0.63372236 0.84138769 -12.28919604 -29.3306853 -39.42257686 -44.86099266 5.3089999999E-10 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.968E-8 6.6359999999E-8 1.484E-7 3.318E-7 7.4189999999E-7 0.000001659 0.0000037099999999 0.000008295 0.00001855 0.000041469999999 134523-03-8 60822 144212690 A A Atorvastatin calcium [Ca+2].O[C@H](CCn1c(c(c(c1C(C)C)C(=O)Nc2ccccc2)c3ccccc3)c4ccc(F)cc4)C[C@@H](O)CC([O-])=O.[O-]C(=O)C[C@H](O)C[C@H](O)CCn4c(c1ccc(F)cc1)c(c2ccccc2)c(C(=O)Nc3ccccc3)c4C(C)C Tox21_302373 -NCGC00256274-01 196700705 tox21-ror-cho-viability-p1 set1 4 68.5896218971 21.7212187399 -2.2212187399 19.5 4.5044702849 0.7003067645 0.0381441702 -2.14079727 -3.89663752 -5.42223933 -8.93434895 -2.98182595 -5.7105659 -3.57651342 -0.55552355 0.65962328 -0.06220142 0.98154362 1.49863269 0.37720207 -0.60020141 14.98389609 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4985-85-7 21088 144211827 A A 2,2'-[(3-Aminopropyl)imino]diethanol OCCN(CCCN)CCO Tox21_301510 -NCGC00255493-01 196700719 tox21-ror-cho-viability-p1 set1 4 17.2289340586 -23.4992255359 0.5 -22.9992255359 0.4 0.6865429609 0.0444889225 0.33876703 0.31301244 0.15596878 -2.92967642 -3.24542026 1.08789619 -4.12627851 0.08677319 -6.33744576 -6.83784554 -11.98628096 -9.12582903 -2.78116995 -19.16602128 -14.60765826 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-01-4 6867 144211851 A A 7-(Dimethylamino)-4-methylcoumarin CN(C)c1ccc2c(c1)OC(=O)C=C2C Tox21_301534 -NCGC00255424-01 196701114 tox21-ror-cho-viability-p1 set1 4 17.2289340586 13.2064972799 -6.2064972799 7 2.7202212143 0.8030007511 0.0075186787 -3.29210598 -2.75121556 -7.88459761 -5.88184308 -6.42794663 -8.18351892 -4.52702029 -5.21735218 -11.0054144 -6.9567057 -6.99076736 -6.949257 3.34082099 3.24356322 8.71110967 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 540-18-1 10890 144212330 F Fns Pentyl butyrate O=C(CCC)OCCCCC Tox21_302013 -NCGC00260547-01 196703188 tox21-ror-cho-viability-p1 set1 4 3.00629625 -0.24474588 1.52256374 -0.76376479 1.31941862 0.26952077 3.5067506 4.4542562 1.82542762 4.64770668 0.66306487 1.20998758 1.43573181 0.24220507 13.12426432 6.058E-11 1.3549999999E-10 3.0289999999E-10 6.773E-10 1.514E-9 3.386E-9 7.572E-9 1.693E-8 3.7859999999E-8 8.4659999999E-8 1.8929999999E-7 4.233E-7 9.465E-7 0.000002117 0.0000047329999999 86-88-4 736366 144210200 A A 1-(1-Naphthyl)-2-thiourea NC(=S)Nc2cccc1ccccc12 Tox21_203002 -NCGC00260522-01 196703189 tox21-ror-cho-viability-p1 set1 4 54.5935042736 -24.9398163999 0.5 -24.4398163999 1.4163171 0.7198870856 0.0299142685 1.93494821 3.47898046 -0.31382056 0.53565751 0.41630115 -6.88509041 -1.23246358 0.66721668 4.07258367 0.80789812 3.77412543 0.42061336 -8.57159822 -6.2312622 -17.449847 1.182E-9 2.6429999999E-9 5.91E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.304E-7 7.387E-7 0.0000016519999999 0.0000036939999999 0.000008259 0.000018469999999 0.000041299999999 0.00009234 1222-98-6 5377323 144210174 A B 4-Nitrochalcone O=[N+]([O-])c1ccc(cc1)\C=C\C(=O)c2ccccc2 Tox21_202976 -NCGC00260076-01 196703587 tox21-ror-cho-viability-p1 set1 4 0.5981662 -1.62762057 0.62340561 0.56279118 -0.77027688 1.50690215 -2.23006921 -2.60340156 0.29776418 -2.33229472 -0.62785869 -5.7327343 -2.78994219 -1.88309475 1.4951854 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.3169999999E-8 2.944E-8 6.583E-8 1.472E-7 3.291E-7 7.3599999999E-7 0.0000016459999999 0.00000368 0.000008228 0.000018399999999 0.000041139999999 0.000092 1271-28-9 62390 144209725 Fns Nickelocene [Ni+2].[c-]1cccc1.c1[c-]ccc1 Tox21_202527 -NCGC00260039-01 196703590 tox21-ror-cho-viability-p1 set1 4 9.0492685205 -5.622633984 0 -5.622633984 4.9549173134 0.5332406028 0.1516913769 -4.00405441 0.60725686 -2.43216762 1.43932701 1.2302099 -2.98498286 -0.04215321 2.84913595 1.79204845 0.07498753 3.36677317 -2.28860047 -5.66816992 -3.37478736 -7.18552832 1.227E-9 2.7439999999E-9 6.1349999999E-9 1.3719999999E-8 3.068E-8 6.859E-8 1.534E-7 3.43E-7 7.669E-7 0.000001715 0.000003834 0.000008574 0.00001917 0.000042869999999 0.00009586 13319-75-0 61591 144209688 Boron trifluoride dihydrate O.O.FB(F)F Tox21_202490 -NCGC00260158-01 196704001 tox21-ror-cho-viability-p1 set1 4 7.12108368 -1.1542553 1.70922325 2.46027061 2.96991941 -16.0602872 12.06653858 3.72600873 4.19224899 3.05215202 5.12452932 2.94832667 0.93457269 1.06246847 6.79252689 1.187E-9 2.653E-9 5.9329999999E-9 1.327E-8 2.966E-8 6.633E-8 1.4829999999E-7 3.317E-7 7.416E-7 0.0000016579999999 0.000003708 0.000008291 0.00001854 0.00004146 0.0000927 555-30-6 38853 144209808 Ac A Methyldopa Oc1ccc(C[C@](C)(N)C(=O)O)cc1O Tox21_202610 -NCGC00256190-01 196700702 tox21-ror-cho-viability-p1 set1 4 4.56036159 1.74535367 2.21695883 0.83308831 5.18268311 -0.586906 2.29614559 -0.26289537 2.01539326 3.15484096 1.19206761 -1.15991452 1.67808178 0.28170092 1.9108035 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67953-08-6 21118222 144212556 A A N2-(4-Nitrophenyl)-L-glutamine hydrochloride Cl.O=C(O)[C@H](CCC(N)=O)Nc1ccc(cc1)[N+]([O-])=O Tox21_302239 -NCGC00015036-11 196705230 tox21-ror-cho-viability-p1 set1 4 3.17545478 0.52274274 -0.55779821 0.21361531 0.81497173 1.05644889 1.52685152 1.71019984 0.55497018 0.69726837 0.26729442 1.88841992 4.33959894 2.47668686 4.62873018 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 768-94-5 2130 170464860 A Amantadine hydrochloride NC13CC2CC(CC(C1)C2)C3 Tox21_110068_1 -NCGC00255231-01 196700717 tox21-ror-cho-viability-p1 set1 4 -3.08982206 0.41722556 -2.27940443 0.53676904 2.30510099 -3.2700692 2.0530292 -1.28726786 0.15468532 -1.88579776 -0.0603062 1.07840918 -2.98167098 -4.62732062 -5.11789561 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1335-46-2 5371084 144211782 B Fns Methylionone CC1(C)CCC=C(C)C1/C=C/C(=O)CC Tox21_301465 -NCGC00258124-01 196702361 tox21-ror-cho-viability-p1 set1 4 1.97976555 0.47829653 -0.16571206 5.06911145 -0.25943609 1.67524165 0.79675644 1.39502471 4.56123534 0.41480159 0.31031564 0.41668027 5.00293684 4.01614149 8.41979861 1.1859999999E-9 2.6519999999E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001853 0.000041439999999 0.000092669999999 7149-26-0 23535 144207768 A B Linalyl anthranilate Nc1ccccc1C(=O)OC(C)(C=C)CC\C=C(/C)C Tox21_200570 -NCGC00258360-01 196702752 tox21-ror-cho-viability-p1 set1 4 5.01271384 2.36595656 3.55981168 2.7390369 1.77771566 1.01639917 6.48437211 4.37982628 5.7019906 2.87352451 2.43849605 2.4754605 5.89937968 0.80077519 0.40829762 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.613E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.00001848 0.00004133 0.00009242 75-27-4 6359 144208004 AC Fc Bromodichloromethane BrC(Cl)Cl Tox21_200806 -NCGC00260099-01 196703171 tox21-ror-cho-viability-p1 set1 4 -0.06885013 -0.1441601 0.15594481 0.01614888 -2.29249885 7.99289578 3.90774026 -4.98637546 1.28345119 1.52154442 -3.71700862 2.26747653 -4.07059692 0.17195422 -2.41121834 5.785E-10 1.2939999999E-9 2.892E-9 6.4679999999E-9 1.446E-8 3.234E-8 7.2309999999E-8 1.617E-7 3.6149999999E-7 8.084E-7 0.0000018079999999 0.000004042 0.000009039 0.00002021 0.000045189999999 67701-03-5 10465 144209748 A Fatty acids, C16-18 O=C(O)CCCCCCCCCCCCCCCC Tox21_202550 -NCGC00167533-02 196705237 tox21-ror-cho-viability-p1 set1 4 23.7101376556 -16.1734540879 3 -13.1734540879 1.752947691 0.6630088791 0.0570912127 3.39296973 0.23061146 2.13854004 3.60040243 4.40975754 7.26511024 -0.30929344 5.42070638 3.89051507 3.60755435 3.17299374 -3.37390239 3.84512351 -4.99769508 -9.31121174 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1193386-64-9 23581791 170465607 A Vardenafil O=C(O)C(O)(CC(=O)O)CC(=O)O.CCN1CCN(CC1)S(=O)(=O)c4cc(C2=NC(=O)c3c(C)nc(CCC)n3N2)c(OCC)cc4 Tox21_112530_1 -NCGC00249933-01 196705247 tox21-ror-cho-viability-p1 set1 4 0.71912085 -0.68798973 0.95852341 2.29054947 0.7658479 0.17854559 -2.77947677 2.2150345 -2.2275279 1.90720268 -0.68668009 -3.42764434 1.79034731 2.0238361 -3.97334935 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 126-85-2 9335 170465894 F Fns Nitrogen mustard N-oxide [O-][N+](C)(CCCl)CCCl Tox21_113709 -NCGC00259762-01 196705641 tox21-ror-cho-viability-p1 set1 4 27.4171332585 20.5636750719 -14.5636750719 6 0.3 0.350616825 0.3193887811 -17.2239521 -7.60776038 -12.03360052 -18.80306256 -11.25510015 -9.29383562 -12.56202789 -3.59850464 -10.19797003 -17.58486927 1.99212693 -9.52418435 -6.7756118 -7.32795644 2.53140078 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004135 0.00009247 54-31-9 3440 144209411 A A Furosemide NS(=O)(=O)c2cc(c(NCc1ccco1)cc2Cl)C(=O)O Tox21_202213 -NCGC00258567-01 196701945 tox21-ror-cho-viability-p1 set1 4 -3.07930953 -1.89090142 0.23112923 -3.75706553 -2.42714808 -1.30398757 3.09857068 0.32464631 -2.7163806 -3.59519894 -0.69362051 -3.04413569 -0.00199112 0.91081739 -1.00303238 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.00009229 59820-43-8 62158 144208212 A A HC Yellow 4 [O-][N+](=O)c1cc(OCCO)c(cc1)NCCO Tox21_201014 -NCGC00257556-01 196702360 tox21-ror-cho-viability-p1 set1 4 65.6013169125 11.871090972 -0.371090972 11.5 3.6772481694 0.5571551685 0.1318615856 -4.89257581 1.27139302 -0.24526065 -0.65271496 -0.57116047 -3.97095818 1.61201839 1.0988528 0.33393242 -0.19508555 3.38597364 0.24410165 0.74789579 1.15458733 8.70001949 1.137E-9 2.543E-9 5.6849999999E-9 1.271E-8 2.843E-8 6.356E-8 1.421E-7 3.178E-7 7.1069999999E-7 0.000001589 0.0000035529999999 0.000007946 0.000017769999999 0.000039729999999 0.000088829999999 110-02-1 8030 144207200 FC Thiophene c1cccs1 Tox21_200002 -NCGC00257904-01 196702359 tox21-ror-cho-viability-p1 set1 4 0.0196461482 -6.516823704 -1.5 -8.016823704 4.9549173134 0.3469332169 0.3392030185 -2.52318171 1.32267624 -7.19838771 3.07721473 -12.93032949 -0.33155845 -11.41579927 -12.93068642 -4.2104322 -7.3969738 -9.87277966 -7.04407525 -10.57062848 -5.70497969 -2.83938063 1.196E-9 2.6749999999E-9 5.982E-9 1.338E-8 2.9909999999E-8 6.6879999999E-8 1.496E-7 3.344E-7 7.478E-7 0.0000016719999999 0.0000037389999999 0.00000836 0.00001869 0.000041799999999 0.00009347 645-49-8 5356785 144207548 A A cis-Stilbene C(=C\c1ccccc1)\c2ccccc2 Tox21_200350 -NCGC00258292-01 196701950 tox21-ror-cho-viability-p1 set1 4 1.00020901 1.25866417 -0.86758105 -0.31664039 0.45718668 2.48721776 1.92921802 0.5907575 0.18897343 1.8071535 3.70495715 1.35975912 0.9880934 1.7753927 1.78143656 1.1509999999E-9 2.5739999999E-9 5.7549999999E-9 1.2869999999E-8 2.877E-8 6.4339999999E-8 1.4389999999E-7 3.217E-7 7.194E-7 0.000001609 0.0000035969999999 0.0000080429999999 0.00001798 0.000040209999999 0.000089919999999 2210-25-5 16637 144207936 A A N-Isopropylacrylamide CC(C)NC(=O)C=C Tox21_200738 -NCGC00090702-02 196703177 tox21-ror-cho-viability-p1 set1 4 -5.3553897 -4.76269692 -4.84063935 -5.0444891 -9.18076879 -4.48219389 -0.5249181 -3.92106024 -0.3552897 -0.89333721 -0.93699807 -4.26605517 0.23106154 0.4830071 -4.31110526 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00260180-01 196703178 tox21-ror-cho-viability-p1 set1 -2.2 34.6911123611 -41.1033486399 -2 -43.1033486399 1.0999999999 0.9384236728 0.0000260351 -0.54913364 -0.06677259 -0.68981215 -1.23582744 -6.90131038 0.71467306 -1.77541711 -1.41574986 -7.25812316 -4.79921949 -6.53051546 -7.91247785 -17.14616717 -21.58188117 -35.9194572 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.9719999999E-8 6.6449999999E-8 1.486E-7 3.3219999999E-7 7.429E-7 0.0000016609999999 0.000003714 0.0000083059999999 0.00001857 0.00004153 0.00009286 81995-09-7 16211417 144209830 A A 1-Dodecyl-3-methylimidazolium iodide [I-].C[n+]1ccn(CCCCCCCCCCCC)c1 Tox21_202632 -NCGC00015675-08 196701978 tox21-ror-cho-viability-p1 set1 4 48.5577336745 15.6928106199 -1.1928106199 14.5 1.8079476909 0.6354822318 0.0735188598 -7.24400885 -1.72317702 -2.15920979 -1.75304001 -1.4839671 4.8436428 -4.50621383 -2.3005572 -0.47393696 0.86517559 0.43725869 1.08137248 0.4326552 4.97455546 11.16908359 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00090874-04 196701979 tox21-ror-cho-viability-p1 set1 4 3.63445116 -1.51993348 1.34956119 2.80944737 1.55520132 -0.62858802 -0.03893732 1.11100774 -0.19959238 1.29845703 5.81406343 0.00746099 0.37007391 3.57062111 0.13210949 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00258278-01 196701580 tox21-ror-cho-viability-p1 set1 4 2.16484063 1.48494987 -7.11642122 -6.79872628 -7.20927081 2.82572453 -0.08887566 -2.98791169 -5.01775109 -8.56469098 1.8811134 0.98159191 -9.06206807 -13.705366 -3.71561575 1.193E-9 2.6679999999E-9 5.9659999999E-9 1.3339999999E-8 2.9829999999E-8 6.67E-8 1.491E-7 3.335E-7 7.457E-7 0.000001668 0.0000037289999999 0.0000083379999999 0.00001864 0.000041689999999 0.000093219999999 67-72-1 6214 144207922 Hexachloroethane ClC(Cl)(Cl)C(Cl)(Cl)Cl Tox21_200724 -NCGC00258208-01 196701977 tox21-ror-cho-viability-p1 set1 4 -2.10071474 -1.47680982 -7.95320199 0.54485833 -7.94701989 -4.09649204 -11.95509337 -11.45058471 0.5478776 -6.99388669 -9.1138704 -7.21642687 -12.23372152 -5.43760905 2.41520811 1.164E-9 2.602E-9 5.818E-9 1.301E-8 2.909E-8 6.5049999999E-8 1.4549999999E-7 3.253E-7 7.2729999999E-7 0.0000016259999999 0.000003636 0.000008131 0.00001818 0.000040659999999 0.00009091 40596-69-8 5366546 144207852 Ac Fc Methoprene CC(C)OC(=O)\C=C(/C)\C=C\CC(C)CCCC(C)(C)OC Tox21_200654 -NCGC00257870-01 196701980 tox21-ror-cho-viability-p1 set1 4 -3.33770426 0.08671996 2.05082462 -1.45591026 -9.94285904 0.43018432 1.04070663 -0.32742743 -3.90041189 -4.51519997 -12.18616458 -0.27353678 -8.56654446 0.2591811 -0.4571018 1.136E-9 2.54E-9 5.679E-9 1.27E-8 2.8389999999E-8 6.349E-8 1.4199999999E-7 3.175E-7 7.099E-7 0.0000015869999999 0.000003549 0.000007936 0.000017749999999 0.00003968 0.00008873 4170-30-3 20138 144207514 FNS Crotonaldehyde CC=CC=O Tox21_200316 -NCGC00257840-01 196701984 tox21-ror-cho-viability-p1 set1 4 54.371879846 17.6796785399 -1.6796785399 16 3.6272481694 0.757131403 0.0175717589 0.86209124 -2.37540862 -0.63271923 -4.18111663 -5.98306545 -0.84176337 0.39534399 -5.91147941 -1.32156726 0.76185973 0.12579175 0.97880794 -3.2781853 3.48743896 13.82153335 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.586E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009204 118-91-2 8374 144207484 A A 2-Chlorobenzoic acid OC(=O)c1ccccc1Cl Tox21_200286 -NCGC00258332-01 196701555 tox21-ror-cho-viability-p1 set1 4 9.05902739 0.56453552 0.45845294 3.84020915 -0.12496044 -0.01165598 2.59579671 5.62933984 3.82062662 -4.6217242 3.98494616 2.32421837 0.79666801 1.34928139 1.31173285 1.164E-9 2.603E-9 5.8199999999E-9 1.301E-8 2.91E-8 6.507E-8 1.4549999999E-7 3.254E-7 7.275E-7 0.0000016269999999 0.0000036379999999 0.000008134 0.00001819 0.00004067 0.00009094 79-36-7 6593 144207976 D Dichloroacetyl chloride ClC(Cl)C(Cl)=O Tox21_200778 -NCGC00090789-02 196701954 tox21-ror-cho-viability-p1 set1 4 0.14380711 0.34004289 0.22340996 0.45254017 -0.1530021 0.25756457 0.71743928 -9.31816425 -3.12564262 0.1822771 0.08884754 0.82996271 -0.06613901 1.06852937 3.48414324 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00257686-01 196702367 tox21-ror-cho-viability-p1 set1 4 -0.98455896 1.45530828 1.96894563 8.61603943 2.13713729 -10.40106557 1.84196282 2.37514263 0.47885737 3.24729181 2.44026466 -0.7986374 2.5536531 1.8994047 -0.2468664 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.3169999999E-8 2.9459999999E-8 6.587E-8 1.4729999999E-7 3.2929999999E-7 7.364E-7 0.0000016469999999 0.0000036819999999 0.000008234 0.000018409999999 0.00004117 0.00009206 18479-58-8 29096 144207330 A A 1,1,5-Trimethyl-6-heptenol CC(C)(O)CCCC(C)C=C Tox21_200132 -NCGC00257703-01 196702371 tox21-ror-cho-viability-p1 set1 4 3.4928349 -2.95105619 1.53027016 8.17791383 0.69147361 -3.15207252 4.37806357 8.08722444 1.03788224 5.29229562 -0.06612268 1.75071655 -7.60588793 0.40741263 8.66229772 1.2459999999E-9 2.785E-9 6.2279999999E-9 1.393E-8 3.114E-8 6.963E-8 1.557E-7 3.481E-7 7.7849999999E-7 0.000001741 0.0000038919999999 0.000008704 0.00001946 0.00004352 0.00009731 107-86-8 61020 144207347 AC F 3-Methylbut-2-enal C/C(C)=C\C=O Tox21_200149 -NCGC00256313-01 196701155 tox21-ror-cho-viability-p1 set1 4 68.5896218971 14.3365936519 -0.8365936519 13.5 4.9549173134 0.6261285225 0.0798464964 1.44889366 -0.68776843 -5.08298008 0.01193784 -6.53049471 -1.75172729 0.71730148 -1.39983655 1.88097618 -1.33719569 1.17819568 0.99499625 -0.59162243 -0.84398827 10.84583435 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 695-34-1 1533 144211914 C A 4-Methylpyridin-2-amine Cc1ccnc(N)c1 Tox21_301597 -NCGC00258726-01 196701574 tox21-ror-cho-viability-p1 set1 4 5.10059028 1.5202908 0.45466422 6.58424473 1.3531526 1.34960357 0.72189817 1.83251646 3.75239879 1.61490036 1.75893767 2.38194562 8.22119139 2.02199524 5.69011465 1.211E-9 2.709E-9 6.056E-9 1.3539999999E-8 3.028E-8 6.771E-8 1.514E-7 3.386E-7 7.5709999999E-7 0.000001693 0.0000037849999999 0.000008464 0.00001893 0.00004232 0.00009463 3970-62-5 19871 144208372 A Ac 2,2-Dimethyl-3-pentanol CC(C)(C)C(O)CC Tox21_201174 -NCGC00257932-01 196701576 tox21-ror-cho-viability-p1 set1 4 -6.5296698 -8.18043711 -9.17529646 4.52402252 -6.98951254 -10.07411474 -9.68192179 -6.49613539 0.72531323 2.38761949 -3.7632915 -6.21971733 -11.22247429 -5.91076734 -9.55107571 1.167E-9 2.61E-9 5.837E-9 1.305E-8 2.918E-8 6.5259999999E-8 1.459E-7 3.2629999999E-7 7.296E-7 0.000001631 0.000003648 0.000008157 0.000018239999999 0.000040789999999 0.0000912 94-25-7 2482 144207576 A A Butyl 4-aminobenzoate Nc1ccc(cc1)C(=O)OCCCC Tox21_200378 -NCGC00258152-01 196701579 tox21-ror-cho-viability-p1 set1 4 61.6904908231 -19.251909236 -1.5 -20.751909236 0.7999999999 0.6485895088 0.0654122843 0.00094232 -4.33651743 -0.01434599 -0.39144061 -1.19541393 -0.05879024 -0.56823987 -6.19856751 -1.29032574 -3.90969008 -3.37919162 -9.63807759 -2.08552502 -7.84231108 -15.62659103 1.189E-9 2.658E-9 5.9439999999E-9 1.3289999999E-8 2.9719999999E-8 6.646E-8 1.486E-7 3.323E-7 7.4299999999E-7 0.0000016609999999 0.0000037149999999 0.000008307 0.000018579999999 0.00004154 0.000092879999999 155371-19-0 2758873 144207796 A 1-Ethyl-3-methylimidazolium hexafluorophosphate F[P-](F)(F)(F)(F)F.C[n+]1ccn(CC)c1 Tox21_200598 -NCGC00257553-01 196700733 tox21-ror-cho-viability-p1 set1 4 0.0968854161 -8.337670364 -2 -10.337670364 0.7999999999 0.3224290981 0.346930877 -1.3144729 -8.89986466 -2.47823265 0.09594995 -3.93611195 -6.61304109 -9.95561481 -3.51380352 -9.92546139 -6.68798372 -17.78139197 -5.75334315 -15.73536808 -3.8878998 -11.04526238 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 153-94-6 9060 144211617 Ac Ac d-Tryptophan O=C(O)[C@H](N)Cc2cnc1ccccc12 Tox21_301300 -NCGC00255640-01 196700736 tox21-ror-cho-viability-p1 set1 4 0.02859533 2.81715698 -1.22184049 -0.29665297 1.53828149 2.90767137 -0.20827269 -0.28537488 1.84941983 7.34369118 1.73953988 2.37667967 1.54083668 7.73185599 0.07793944 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-49-6 6480 144212345 A A 2-Methyl-2-nitro-1,3-propanediol [O-][N+](=O)C(C)(CO)CO Tox21_302028 -NCGC00255759-01 196700740 tox21-ror-cho-viability-p1 set1 -1.1 3.8570778872 -86.4572023349 0.1824307299 -86.274771605 1.21 0.9463281809 0.0000123604 0.26885952 4.08722135 -0.62609804 0.10890687 0.15718027 -4.9610279 -2.91005314 -8.65401546 -5.58344251 -14.82115028 -41.78328813 -78.48949451 -57.05273692 -73.84722725 -84.08847135 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 513-92-8 10568 144211945 Tetraiodoethene I/C(I)=C(/I)I Tox21_301628 -NCGC00163815-04 196704400 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -76.14048553 -2.4067747409 -78.5472602709 4.5044702849 0.9917047163 3E-10 -0.53759263 -0.21508371 -3.19396983 -3.42121294 -3.08669879 -3.00781554 -3.12547121 -2.43222032 -2.44133218 1.33182656 -3.38456684 -3.462886 -1.52587019 -9.55946337 -62.73592085 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00257003-01 196707701 tox21-ror-cho-viability-p1 set1 4 48.5577336745 16.6070213759 -15.4913561159 1.11566526 2.0437424601 0.5130547417 0.1672940534 -6.35098119 -11.58991403 -16.21294255 -15.16424351 -18.72048154 -20.40946343 -17.07046289 -17.15525555 -11.76214769 -19.73017983 -18.95258488 -12.82744842 -12.85927483 -9.67622 -1.57027895 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-55-7 7993 144213645 Fns 3-(Dimethylamino)propylamine NCCCN(C)C Tox21_303328 -NCGC00164164-02 196707707 tox21-ror-cho-viability-p1 set1 4 -10.01968504 -10.39614622 -4.39789317 -8.60856972 -8.58775107 -9.70823519 -7.31692913 -11.6380409 -11.53402534 -12.9607519 -11.88458002 -10.25854257 -9.53878674 -9.91481789 -5.45024213 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00257034-01 196708113 tox21-ror-cho-viability-p1 set1 4 -6.01900623 -11.51618024 -8.44783399 -1.2457417 -13.06242786 -9.53532332 -8.26026126 -14.98291801 -16.97379439 -6.40245606 -21.08333904 -4.63854598 -8.74140347 -14.75232603 -4.6848529 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-07-2 8160 144213547 B Ac 2-Butoxyethyl acetate O=C(C)OCCOCCCC Tox21_303230 -NCGC00257104-01 196708117 tox21-ror-cho-viability-p1 set1 4 6.33012865 1.70199286 5.06913332 0.07983302 2.98875429 6.54089659 -4.59843934 5.53642389 4.02508705 0.31143139 1.44120235 5.52687344 2.11036719 -5.19548423 2.2505983 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-09-4 16402 144213440 F Ac 1,6-Hexanediamine NCCCCCCN Tox21_303123 -NCGC00257237-01 196708126 tox21-ror-cho-viability-p1 set1 4 -9.75213942 -5.54994622 -1.1632464 -7.14041364 -0.4412637 -3.48197457 -0.55014963 -0.61644143 -0.91322331 -4.01211667 -1.19053144 -13.6739667 -7.74097501 -7.85664973 2.19830524 8.788E-10 1.965E-9 4.394E-9 9.826E-9 2.1969999999E-8 4.913E-8 1.099E-7 2.456E-7 5.493E-7 0.000001228 0.000002746 0.000006141 0.000013729999999 0.00003071 0.00006866 78491-02-8 62277 144213680 F F Diazolidinyl urea OCN1C(=O)N(CO)C(=O)C1N(CO)C(=O)NCO Tox21_303365 -NCGC00164449-04 196704395 tox21-ror-cho-viability-p1 set1 4 61.130564862 -9.459701872 1 -8.459701872 4.0449729863 0.6954127955 0.0415407599 -0.75477133 1.50836491 0.58469053 0.45454025 0.72154119 0.12627468 1.11129938 5.75879325 1.72268141 1.42649748 1.29146292 0.40491871 1.07150268 -0.67898206 -7.04975156 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00263521-01 196704396 tox21-ror-cho-viability-p1 set1 4 -0.02599252 -0.26466586 1.87169533 0.46490124 0.24652794 0.95846437 1.31229194 -4.05351148 2.31410306 0.32447546 0.68389466 0.18568158 1.91683025 -0.66703666 0.3895108 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14484-47-0 189821 170466610 A Deflazacort CC(=O)OCC(=O)[C@@]54N=C(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_112506_1 -NCGC00256711-01 196707290 tox21-ror-cho-viability-p1 set1 4 0.26375331 -7.49049959 -1.78565753 -11.27655307 -8.42903215 -11.04263427 -11.4616859 -13.16491811 -13.14048876 -10.80081666 -10.64279622 1.73146985 -13.18091034 0.09872911 -6.70866343 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4536-23-6 20653 144212957 A A 2-Methylhexanoic acid CC(CCCC)C(=O)O Tox21_302640 -NCGC00090965-04 196707693 tox21-ror-cho-viability-p1 set1 4 -0.94836279 -1.05389459 -0.32086682 -2.68777593 0.03205771 0.5339702 -0.35734144 -0.74745337 5.78104707 -1.49431837 5.7343859 -0.96737 -0.36031462 -0.94435088 -5.57011838 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00253719-01 196704397 tox21-ror-cho-viability-p1 set1 4 -1.35497975 1.81428671 2.42596695 -0.83035391 -0.15190669 9.55147528 -1.21640311 3.3045306 -0.16048039 1.38400745 0.10961583 -0.75415125 1.05602212 3.15870148 4.93215594 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53786-28-0 104607 170466670 A A 5-Chloro-1-(4-piperidyl)-1H-benzimidazol-2(3H)-one Clc1cc2NC(=O)N(c2cc1)C3CCNCC3 Tox21_113838 -NCGC00260526-01 196711798 tox21-ror-cho-viability-p1 set2 -2.4 43.5413235903 -31.3517617479 2.5 -28.8517617479 1.9673362061 0.923064141 0.0000847206 -0.24466475 -0.90541982 3.19838292 5.75238558 1.69245178 5.38117654 3.58711636 5.17437105 1.74280249 2.03864802 -0.3403607 3.99870964 -3.52124113 -12.43430242 -22.79313479 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.6299999999E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008287 0.00001853 0.000041439999999 0.00009265 56803-37-3 70425 144210178 C C tert-Butylphenyl diphenyl phosphate CC(C)(C)c3ccc(OP(=O)(Oc1ccccc1)Oc2ccccc2)cc3 Tox21_202980 -NCGC00263559-01 196704824 tox21-ror-cho-viability-p1 set1 4 2.20061281 0.03114636 -4.90873382 0.7270912 -0.53178637 1.09560792 1.35786835 -1.37684966 -4.54489215 1.24047277 0.14290382 -4.44411307 1.0173108 0.86445739 2.57270791 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2387-59-9 1080 170465800 F Carbocysteine OC(=O)C(N)CSCC(O)=O Tox21_111658_1 -NCGC00016504-09 196705224 tox21-ror-cho-viability-p1 set1 4 -3.25766315 1.5113878 -0.70295275 -2.21279031 -0.00227548 -3.55892586 0.20488383 -1.66902868 -7.20883766 0.6939765 -2.75960245 0.18477291 1.2404884 -5.02082122 -6.23809375 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 548-73-2 3168 170464722 A Droperidol Fc1ccc(cc1)C(=O)CCCN2CC=C(CC2)N3c4ccccc4NC3=O Tox21_110461_1 -NCGC00018107-05 196704402 tox21-ror-cho-viability-p1 set1 4 0.81445164 1.89330983 0.31337897 -0.92776017 1.6368127 0.23565704 2.0129213 3.76687483 4.55476745 -0.93402751 0.42794119 1.45911469 0.94535038 8.45023972 0.69263321 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 147-93-3 5443 170465571 C 2-Thiosalicylic acid OC(=O)c1ccccc1S Tox21_113560_1 -NCGC00247711-01 196704814 tox21-ror-cho-viability-p1 set1 4 -0.91872857 0.02538001 -2.73057793 0.92454779 2.75115412 -1.1180609 0.37612619 -2.13105546 0.50456508 -0.02708893 1.1944161 1.83137243 1.29911724 -1.1648099 1.96936459 1.1609999999E-9 2.5969999999E-9 5.8069999999E-9 1.299E-8 2.9039999999E-8 6.493E-8 1.4519999999E-7 3.246E-7 7.259E-7 0.000001623 0.000003629 0.000008116 0.000018149999999 0.000040579999999 0.000090739999999 57-43-2 2164 144206419 A A Amobarbital O=C1NC(=O)NC(=O)C1(CCC(C)C)CC Tox21_112866 -NCGC00259341-01 196711796 tox21-ror-cho-viability-p1 set2 -1.2 5.4150405893 -32.6580283503 -4.713129224 -37.3711575743 4.9549173134 0.9238795787 0.0000797667 -0.87368632 -0.94088336 -4.7108887 -6.52539614 -7.4262112 -3.302482 -8.70276695 -5.62663291 -9.9909725 -2.09620403 -3.53002473 -36.33771546 -28.28039895 -42.52074272 -39.44582568 1.1739999999E-9 2.626E-9 5.871E-9 1.3129999999E-8 2.9349999999E-8 6.564E-8 1.468E-7 3.282E-7 7.339E-7 0.000001641 0.000003669 0.000008205 0.00001835 0.00004102 0.00009173 57-83-0 5994 144208990 A A Progesterone CC(=O)[C@H]2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_201792 -NCGC00257152-01 196707642 tox21-ror-cho-viability-p1 set1 4 2.19844395 0.0455338 1.26914112 0.52447244 0.9008121 1.44919592 -0.44202621 4.88200079 1.30495801 1.75997151 1.41028497 3.95726328 1.20875641 4.55947943 9.27753555 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 631-64-1 12433 144213608 F Ac Dibromoacetic acid BrC(Br)C(=O)O Tox21_303291 -NCGC00257081-01 196707650 tox21-ror-cho-viability-p1 set1 4 -0.65492873 2.10150822 -0.90680413 0.09047042 -0.96033205 2.43410209 5.97491911 0.31995987 -8.04726128 0.01654102 2.82272658 -1.36771811 2.38363199 0.19706748 3.26637338 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-83-7 7582 144213414 A Fc Dicyclohexylamine C1CCCCC1NC2CCCCC2 Tox21_303097 -NCGC00260229-01 196711794 tox21-ror-cho-viability-p1 set2 4 0.243860226 -8.7803981839 -2.423423508 -11.2038216919 3.9294729863 0.3566171617 0.3292475427 -2.60515483 -0.93144407 -3.67036868 -1.73359278 -2.85483134 -0.76951959 -5.29893533 -6.92105173 -28.91985141 -5.20060438 -5.52861229 -7.61243522 -14.47222481 -6.49159306 -6.0104234 1.182E-9 2.6429999999E-9 5.91E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.304E-7 7.387E-7 0.0000016519999999 0.000003693 0.000008259 0.000018469999999 0.00004129 0.00009234 125652-55-3 19876500 144209879 A Z 1-Butyl-3-methylpyridinium chloride [Cl-].Cc1ccc[n+](CCCC)c1 Tox21_202681 -NCGC00256781-01 196707665 tox21-ror-cho-viability-p1 set1 4 4.26778961 0.27524637 -2.16369121 1.74171694 0.59475555 3.12967741 -0.55901023 -1.62040722 -1.2968453 -1.81893554 2.21796029 1.22015904 4.04861294 3.28531165 0.87702379 2.916E-9 6.52E-9 1.4579999999E-8 3.2599999999E-8 7.29E-8 1.63E-7 3.6449999999E-7 8.1499999999E-7 0.0000018219999999 0.000004075 0.000009112 0.000020379999999 0.00004556 0.0001019 0.0002278 1322-17-4 234237 144212872 D F 1,3-Nonanediol monoacetate O=C(C)OCCC(O)CCCCCC Tox21_302555 -NCGC00259014-01 196709769 tox21-ror-cho-viability-p1 set2 4 -0.06447995 0.01722669 0.74508748 -0.04119925 3.5381437 3.47399191 2.18244694 0.24029981 2.53658501 0.75761251 2.85280747 2.94351999 5.59049966 4.41463928 1.90811698 1.216E-9 2.72E-9 6.0819999999E-9 1.36E-8 3.041E-8 6.8E-8 1.521E-7 3.4E-7 7.6029999999E-7 0.0000016999999999 0.000003801 0.0000085 0.00001901 0.000042499999999 0.00009504 100-37-8 7497 144208661 A Ac N,N-Diethylethanolamine CCN(CC)CCO Tox21_201463 -NCGC00260018-01 196711785 tox21-ror-cho-viability-p1 set2 -3 13.3413275287 -39.6528364272 -4.625686968 -44.2785233952 3.9294729863 0.7002951483 0.046630178 -2.73895395 -4.76084096 -5.14070595 -8.57138019 -4.73958758 -7.10180363 0.13340781 -21.36023954 0 -16.06772157 -0.61432527 -2.35187701 -7.69495462 -46.12346187 -16.52731871 5.902E-10 1.32E-9 2.951E-9 6.598E-9 1.4749999999E-8 3.299E-8 7.377E-8 1.65E-7 3.688E-7 8.2479999999E-7 0.000001844 0.000004124 0.000009221 0.00002062 0.00004611 68631-49-2 155166 144209667 Fc 2,2',4,4',5,5'-Hexabromodiphenyl ether Brc2cc(Oc1cc(Br)c(Br)cc1Br)c(Br)cc2Br Tox21_202469 -NCGC00255383-01 196710959 tox21-ror-cho-viability-p1 set2 4 -0.05834283 3.39122807 4.28312031 2.79385571 2.79405497 -0.83210615 -2.10558344 -8.08720949 -2.38908338 1.86186426 0.88123624 1.59632066 1.35475903 1.7257736 6.45867807 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63-42-3 6134 144212183 A A Lactose O[C@H]2[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H](CO)O[C@@H](O)[C@@H]2O Tox21_301866 -NCGC00259851-01 196706883 tox21-ror-cho-viability-p1 set1 4 40.0451960696 -19.673503464 3.5 -16.173503464 2.09374246 0.5260820843 0.1554526455 4.9690923 0.54853168 3.19115961 -2.36758608 1.61814634 -0.60532614 1.65109137 0.25664254 4.75781263 20.52406872 3.21681364 2.15366798 -2.63450999 -8.01804555 -15.14458622 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.6859999999E-8 8.243E-8 1.8429999999E-7 4.121E-7 9.2159999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 0.00005152 0.0001152 27178-16-1 33733 144209500 A F Diisodecyl hexanedioate CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C Tox21_202302 -NCGC00255279-01 196710163 tox21-ror-cho-viability-p1 set2 4 0.73839538 2.01223425 -0.75453895 2.27236988 3.80577473 2.68120885 3.88468624 3.1191403 -2.02079573 0.55281402 -0.02853748 3.41948891 0.40415642 3.12997756 2.02657928 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-88-3 7067 144212052 A A 2-(N-Ethyl-m-toluidino)ethanol CCN(CCO)c1cc(C)ccc1 Tox21_301735 -NCGC00259646-01 196706885 tox21-ror-cho-viability-p1 set1 4 -5.83594934 -0.0466473 -0.78281002 -0.12176381 0.80053159 4.82024889 0.18131246 -1.69767426 -15.08261622 0.57552971 -4.7865954 0.38551077 -3.52101661 -0.17347637 -7.4463213 1.188E-9 2.656E-9 5.9389999999E-9 1.3279999999E-8 2.969E-8 6.64E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.000003712 0.0000083 0.00001856 0.0000415 0.00009279 491-80-5 5280373 144209295 A A Biochanin A COc1ccc(cc1)C3=COc2cc(O)cc(O)c2C3=O Tox21_202097 -NCGC00257436-01 196707278 tox21-ror-cho-viability-p1 set1 4 61.130564862 11.019676092 0.980323908 12 0.4 0.52598326 0.1601000339 -1.68306341 3.2652193 3.03960803 0.5090465 2.39830132 3.38494631 3.14864435 3.25492245 0.96007462 2.53641007 3.21470244 3.7194523 7.17960256 3.57126014 8.38691524 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-06-1 31283 144213827 A Fns Ethyl tetradecanoate O=C(CCCCCCCCCCCCC)OCC Tox21_303520 -NCGC00257203-01 196707285 tox21-ror-cho-viability-p1 set1 4 2.40533267 1.74818093 0.32246168 2.04565528 1.99767232 0.53104703 2.78723509 1.52541929 -0.54734792 3.1519575 -1.32917847 3.88094385 0.29985269 1.55850211 0.84649367 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 98-57-7 7395 144213498 A A 4-Chlorophenyl methyl sulfone O=S(C)(=O)c1ccc(Cl)cc1 Tox21_303181 -NCGC00259375-01 196709764 tox21-ror-cho-viability-p1 set2 4 -3.84928934 -2.26145338 -4.79759957 -2.56391749 -2.60200121 1.88754927 0.7502518 0.49635979 1.8426575 0.134533 -0.76084168 -3.10858959 -2.80776997 -0.18004315 2.52317507 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.679E-8 1.494E-7 3.34E-7 7.468E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004175 0.000093349999999 140-11-4 8785 144209024 A Ac Benzyl acetate CC(=O)OCc1ccccc1 Tox21_201826 -NCGC00260410-01 196703476 tox21-ror-cho-viability-p1 set1 4 -3.99097172 -0.69205266 2.46041161 -1.28000266 -9.0834499 -7.54671924 -0.27199623 -1.22932393 -0.97269659 0.01925423 0.22816676 3.06200146 0.21766799 -0.24162889 -4.70946 1.19E-9 2.6619999999E-9 5.9519999999E-9 1.331E-8 2.976E-8 6.655E-8 1.4879999999E-7 3.3269999999E-7 7.44E-7 0.0000016639999999 0.00000372 0.0000083179999999 0.0000186 0.00004159 0.000093 693-58-3 12742 144210062 F Ac Nonylbromide CCCCCCCCCBr Tox21_202864 -NCGC00259198-01 196706877 tox21-ror-cho-viability-p1 set1 4 -11.27251281 -5.16007612 4.00211151 -12.425585 -1.60077346 0.55070542 -1.20011571 -2.39272322 -7.56258609 0 -1.44327868 -0.47553232 -4.42548001 -1.03973525 3.49702866 1.194E-9 2.67E-9 5.9709999999E-9 1.335E-8 2.986E-8 6.676E-8 1.493E-7 3.338E-7 7.464E-7 0.000001669 0.000003732 0.000008345 0.00001866 0.00004172 0.000093299999999 1760-24-3 15659 144208847 FNS N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine CO[Si](CCCNCCN)(OC)OC Tox21_201649 -NCGC00258931-01 196706881 tox21-ror-cho-viability-p1 set1 4 5.05756572 -0.5513295 1.66845783 -9.79357775 -0.05998792 1.09379268 -0.41430714 4.53420114 2.08162773 9.49440633 1.72745503 0.21682606 2.65054865 -1.34756413 1.35575805 1.1989999999E-9 2.6809999999E-9 5.9959999999E-9 1.3409999999E-8 2.998E-8 6.703E-8 1.4989999999E-7 3.352E-7 7.495E-7 0.000001676 0.000003747 0.0000083789999999 0.000018739999999 0.000041899999999 0.00009368 100-18-5 7486 144208578 AC D 1,4-Diisopropylbenzene CC(C)c1ccc(cc1)C(C)C Tox21_201380 -NCGC00260457-01 196703471 tox21-ror-cho-viability-p1 set1 4 1.57650664 -0.9724468 2.66849325 4.60043796 6.20434337 -7.6331418 1.94691298 0.17786695 2.1510237 -0.36947966 -6.77638619 1.95419273 6.40537195 2.66601486 5.11826889 1.213E-9 2.7119999999E-9 6.064E-9 1.3559999999E-8 3.0319999999E-8 6.78E-8 1.516E-7 3.39E-7 7.58E-7 0.000001695 0.0000037899999999 0.000008475 0.00001895 0.000042369999999 0.00009475 290-37-9 9261 144210109 Ac Pyrazine c1cnccn1 Tox21_202911 -NCGC00356986-01 196703475 tox21-ror-cho-viability-p1 set1 4 2.04338765 -2.64888601 -5.22552577 -8.1106549 -3.50152995 -8.38832823 -0.23856952 -0.21251126 -5.68832456 -4.36107359 3.29824395 0.5389347 -1.65656115 1.45624462 -5.02471335 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109293-97-2 6125184 251919719 F Diflufenzopyr Fc1cc(cc(F)c1)NC(=O)N\N=C(/C)c2ncccc2C(=O)O Tox21_303700 -NCGC00257625-01 196703043 tox21-ror-cho-viability-p1 set1 -2.1 61.6904908231 -107.9449088382 -9.9225978469 -117.8675066851 2.7202212143 0.9538046684 0.0000054401 -9.07724884 -7.49018268 -0.75262075 -6.79080903 -11.56093662 -11.63900438 -9.07266789 -4.80771131 -7.57463842 -19.68848999 -16.63890808 -15.02254773 -9.84547364 -38.45553359 -90.94715022 1.189E-9 2.6589999999E-9 5.945E-9 1.3289999999E-8 2.9719999999E-8 6.647E-8 1.486E-7 3.323E-7 7.4309999999E-7 0.000001662 0.000003716 0.0000083079999999 0.000018579999999 0.00004154 0.00009289 434-07-1 5281034 144207269 A A Oxymetholone O=C3C[C@@H]4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@]1(C)O)[C@@]4(C)C\C3=C\O Tox21_200071 -NCGC00260047-01 196703057 tox21-ror-cho-viability-p1 set1 4 -1.33776191 -1.57440299 -0.4909428 0.42274333 -2.93035483 0.90987452 7.97873399 -1.76634396 -0.50825952 -4.58908744 -1.69580759 -0.66976641 -2.51841271 0.89026264 0.42254036 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 1066-30-4 14012 144209696 Ac Chromium(III) acetate [Cr+3].O=C([O-])C.[O-]C(C)=O.[O-]C(C)=O Tox21_202498 -NCGC00357266-01 196703058 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -19.155000464 -2 -21.155000464 4.9549173134 0.6940900383 0.0411447226 -2.86348402 -5.6881643 -5.29250804 -1.06947465 0.41198574 -3.13937782 -4.12688962 -3.22648892 -1.03269793 -6.1820113 -0.99472417 0.00302437 0.677209 0.69519229 -16.79583372 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-28-6 7646 251919818 A Benzyl 2-methylpropanoate CC(C)C(=O)OCc1ccccc1 Tox21_303852 -NCGC00263444-01 196704727 tox21-ror-cho-viability-p1 set1 4 1.2025528 -2.95024169 -5.99317631 -0.25971608 -4.56880206 -4.25465408 -9.23692551 -2.75791056 0.5056599 -2.70526627 -2.51366289 -2.11550279 0.90170318 0.51455138 -5.05544259 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7601-55-0 24244 170465111 F Metocurine iodide [I-].[I-].COc7ccc1cc7Oc6cc5c(CC[N+](C)(C)[C@H]5Cc4ccc(Oc3c2c(CC[N+](C)(C)[C@@H]2C1)cc(OC)c3OC)cc4)cc6OC Tox21_112755_1 -NCGC00017259-07 196705122 tox21-ror-cho-viability-p1 set1 4 0.14291728 0.2465373 -2.47131388 1.82705366 -4.83160321 18.37187742 1.84087136 -6.86117132 -5.1479211 -0.92910015 -4.62502746 -8.12403398 0.01045367 1.6626442 -10.38938626 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27848-84-6 34040 170465878 A Nicergoline Brc1cc(cnc1)C(=O)OC[C@@H]3C[C@]4(OC)c5cccc2c5c(cn2C)C[C@H]4N(C)C3 Tox21_110810_1 -NCGC00166104-04 196704296 tox21-ror-cho-viability-p1 set1 4 1.82166523 1.06896044 -1.28029971 -1.5002422 0.15277769 -0.66522121 0.50002481 -5.08899247 -4.39703636 -0.9131516 0.39586979 -4.04543405 0.94902339 1.09816579 0.11953632 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 940-69-2 863 170465868 Bc alpha-Lipoic acid amide NC(=O)CCCCC1CCSS1 Tox21_112317_1 -NCGC00260420-01 196703076 tox21-ror-cho-viability-p1 set1 4 1.18775722 0.04070206 -6.60462794 -0.25781454 -4.78831019 -9.3600583 -3.11235722 0.39485859 -1.17867956 -3.44473582 -10.46759812 -2.95804205 -1.94782351 0.74891602 1.65988771 1.1689999999E-9 2.614E-9 5.844E-9 1.3069999999E-8 2.922E-8 6.5339999999E-8 1.461E-7 3.267E-7 7.305E-7 0.0000016329999999 0.000003653 0.000008167 0.00001826 0.00004084 0.000091309999999 874-23-7 13400 144210072 A F Cyclohexanone,2-acetyl- O=C1CCCCC1C(=O)C Tox21_202874 -NCGC00015726-11 196704297 tox21-ror-cho-viability-p1 set1 4 1.32848662 -1.53367672 -2.55752791 0.07785987 1.31272486 3.98286755 1.09813509 3.57931836 3.63064831 1.64086784 1.67481281 -0.21957948 0.90680363 1.78514398 -1.51545315 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-12-7 4472 170466097 A Nialamide O=C(NNCCC(=O)NCc1ccccc1)c2ccncc2 Tox21_110208_1 -NCGC00183876-03 196704310 tox21-ror-cho-viability-p1 set1 4 -0.52132931 3.43199569 -0.36707901 1.53371049 2.1542677 1.09096235 -0.856388 1.83222093 -0.87165968 -2.0767613 -6.37857501 1.35333967 1.46903851 1.08960428 1.71629114 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 202138-50-9 5486830 170465338 A Tenofovir disoproxil fumarate O=C(O)C=CC(=O)O.CC(C)OC(=O)OCOP(=O)(OCOC(=O)OC(C)C)CO[C@H](C)Cn2cnc1c(N)ncnc12 Tox21_113627_1 -NCGC00260469-01 196703061 tox21-ror-cho-viability-p1 set1 4 12.37894587 -1.32768211 -1.84923661 -0.3425475 1.26234997 0.71369295 11.74698578 2.90978844 0.09949293 3.32588289 6.80471984 0.58926788 4.95742811 1.12609213 11.96405957 6.093E-11 1.362E-10 3.0469999999E-10 6.812E-10 1.523E-9 3.406E-9 7.617E-9 1.7029999999E-8 3.808E-8 8.5159999999E-8 1.904E-7 4.258E-7 9.521E-7 0.000002129 0.0000047599999999 523-27-3 68226 144210121 Fc 9,10-Dibromoanthracene Brc2c1ccccc1c(Br)c3ccccc23 Tox21_202923 -NCGC00260309-01 196703467 tox21-ror-cho-viability-p1 set1 4 4.97574344 1.67694622 2.88713811 2.6457674 0.12583884 -12.81150103 -0.31394951 2.89039314 -2.97124403 -2.96735219 3.25060398 -22.01481558 -0.04293096 4.89297484 -0.82207422 2.859E-10 6.393E-10 1.43E-9 3.197E-9 7.148E-9 1.598E-8 3.574E-8 7.9909999999E-8 1.7869999999E-7 3.996E-7 8.9349999999E-7 0.0000019979999999 0.000004467 0.000009989 0.00002234 32360-05-7 122600 144209960 Fns Stearyl methacrylate C=C(C)C(=O)OCCCCCCCCCCCCCCCCCC Tox21_202762 -NCGC00260029-01 196703484 tox21-ror-cho-viability-p1 set1 4 3.88089884 0.1920428 3.36675629 3.90106891 7.4054886 1.33188727 4.86359435 2.91386658 0.30158954 -2.04647045 0.01407832 4.72909699 1.77530976 3.40875496 5.66653098 1.095E-9 2.4489999999E-9 5.477E-9 1.225E-8 2.739E-8 6.124E-8 1.369E-7 3.062E-7 6.846E-7 0.0000015309999999 0.000003423 0.000007655 0.00001712 0.00003827 0.000085579999999 67-64-1 180 144209678 FC Acetone CC(C)=O Tox21_202480 -NCGC00260488-01 196703494 tox21-ror-cho-viability-p1 set1 4 12.1599490569 -14.867284696 4 -10.867284696 2.2526478767 0.8316694651 0.0038063798 5.33254304 3.51834632 3.94615162 3.04329019 0.34102639 1.82595614 2.07125902 7.31692947 8.57337466 3.50735878 1.82226832 2.87048187 -9.94412643 -8.51947275 -10.30607058 1.177E-9 2.6319999999E-9 5.884E-9 1.316E-8 2.942E-8 6.579E-8 1.471E-7 3.29E-7 7.356E-7 0.000001645 0.0000036779999999 0.000008224 0.00001839 0.000041119999999 0.000091939999999 723-62-6 2201 144210140 A A 9-Anthracenecarboxylic acid O=C(O)c2c3ccccc3cc1ccccc12 Tox21_202942 -NCGC00258286-01 196702236 tox21-ror-cho-viability-p1 set1 4 -1.1321721 -6.12967178 -6.73959241 -0.00965165 0.04327535 0.07817292 0.15435443 -0.96136162 -6.87525474 0.23182417 -4.5124287 -0.71490968 -4.34373056 1.53653396 -4.55024212 1.166E-9 2.6069999999E-9 5.83E-9 1.304E-8 2.9149999999E-8 6.518E-8 1.457E-7 3.259E-7 7.287E-7 0.0000016299999999 0.0000036439999999 0.0000081479999999 0.00001822 0.00004074 0.00009109 16712-64-4 85557 144207930 A A 6-Hydroxy-2-naphthoic acid O=C(O)c1ccc2cc(O)ccc2c1 Tox21_200732 -NCGC00257741-01 196702252 tox21-ror-cho-viability-p1 set1 4 -0.5889333 0.24331471 -0.62889725 0.14091325 0.98632569 1.18159191 2.53281533 4.8245532 1.83510336 1.72120868 0.09369242 -3.88283114 4.57186575 3.40149172 -0.54482525 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.9479999999E-8 6.591E-8 1.474E-7 3.295E-7 7.369E-7 0.000001648 0.000003684 0.000008239 0.00001842 0.00004119 0.00009211 527-85-5 10704 144207385 A A 2-Methylbenzamide Cc1ccccc1C(=O)N Tox21_200187 -NCGC00260379-01 196703080 tox21-ror-cho-viability-p1 set1 4 0.0124207603 -7.072137924 -0.8150937119 -7.8872316359 1.4641 0.3186342373 0.351326305 -2.43869673 -1.25639012 -0.67924476 -5.29569236 -9.03956672 -2.40015197 -6.61522883 -11.35443345 -12.82269303 -3.73128487 -3.82475645 -1.60657982 -12.27686806 -9.02951285 -9.71492764 1.198E-9 2.679E-9 5.991E-9 1.34E-8 2.995E-8 6.698E-8 1.4979999999E-7 3.3489999999E-7 7.4889999999E-7 0.000001675 0.000003744 0.000008373 0.000018719999999 0.000041859999999 0.000093609999999 4282-42-2 20275 144210031 F Bc Nonane,1-iodo- CCCCCCCCCI Tox21_202833 -NCGC00091657-02 196702652 tox21-ror-cho-viability-p1 set1 4 43.2771256911 10.417713932 -2.417713932 8 3.9294729863 0.5015357974 0.1785365845 -5.37009007 -2.45599905 -1.08873453 -4.19385721 -2.97374361 -1.05896192 -1.30249503 -1.35392425 -3.64439483 -1.92216073 2.36512157 1.98309948 -8.26476161 3.48265429 7.23643604 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00257829-01 196702256 tox21-ror-cho-viability-p1 set1 4 1.5919165214 5.2008178319 -1.7008178319 3.5 2.2526478767 0.4810623016 0.197742067 -2.29396959 -0.12035683 0.63380862 -2.29138138 0.34281876 -5.58401486 0.81355329 -2.53388443 -3.25330145 3.75756108 -0.3237049 6.09483737 2.69277942 0.61643675 6.53591325 1.216E-9 2.718E-9 6.079E-9 1.359E-8 3.0389999999E-8 6.796E-8 1.5199999999E-7 3.3979999999E-7 7.598E-7 0.000001699 0.000003799 0.0000084949999999 0.000018999999999 0.00004247 0.00009498 10599-70-9 61527 144207473 A C 3-Acetyl-2,5-dimethylfuran Cc1cc(C(=O)C)c(C)o1 Tox21_200275 -NCGC00257599-01 196702651 tox21-ror-cho-viability-p1 set1 4 -1.41738249 -6.10866762 -5.38007038 -0.41667806 -5.93080537 -0.37139552 -12.56371326 -11.52075654 -5.86455533 -6.7584533 -15.91106454 -11.15906587 -8.07441516 -1.60979932 -7.38414281 1.189E-9 2.658E-9 5.9439999999E-9 1.3289999999E-8 2.9719999999E-8 6.646E-8 1.486E-7 3.323E-7 7.4299999999E-7 0.0000016609999999 0.0000037149999999 0.000008307 0.000018579999999 0.00004154 0.000092879999999 81-84-5 6693 144207243 A I 1H,3H-Naphtho(1,8-cd)pyran-1,3-dione O=C3OC(=O)c2cccc1cccc3c12 Tox21_200045 -NCGC00357001-01 196703084 tox21-ror-cho-viability-p1 set1 4 -3.73606736 1.76451607 1.27677216 -0.40159419 -0.35955256 -0.36312804 -3.14244725 -2.84446208 -4.56282234 -3.68225852 -2.27820065 -2.36434802 -0.81959401 -2.94533009 -2.9136669 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 82697-71-0 23681559 251919718 A Clofencet-potassium [K+].[O-]C(=O)C1=C(CC)N(N=CC1=O)c2ccc(Cl)cc2 Tox21_303919 -NCGC00090885-03 196703480 tox21-ror-cho-viability-p1 set1 4 1.27317864 -0.3872373 3.19571677 -1.22771801 -1.52701712 1.83429265 1.27876468 0 -12.56990999 1.28120186 1.50829081 2.2305619 0.2752129 -1.42265818 -0.92191446 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00090874-04 196700601 tox21-ror-cho-viability-p1 set1 4 -3.3361785 -4.33943575 -2.55639981 0.05079427 -0.66700526 -2.79366186 1.82370549 0.44444289 -0.84345101 -4.09927956 7.03517272 0.48339107 -8.51494465 -2.72645918 -8.17233583 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00255598-01 196700614 tox21-ror-cho-viability-p1 set1 4 -0.50879609 1.01746886 2.09163564 0.74646036 1.48629414 4.73675752 0.74344758 5.8964358 1.96548396 4.14390912 0.81942608 1.00462032 0.02927637 3.89417619 5.19118117 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-73-7 7403 144211654 A A 4-tert-Butylbenzoic acid CC(C)(C)c1ccc(cc1)C(=O)O Tox21_301337 -NCGC00260372-01 196703500 tox21-ror-cho-viability-p1 set1 4 -2.23859058 -6.91869165 -8.04302661 -8.37851514 -9.60154044 -12.65158743 -12.11708303 -0.14353725 -9.04805314 -16.03588948 -10.3680841 -6.24249081 -9.89084563 -11.04520385 0.20045111 3.3579999999E-10 7.509E-10 1.6789999999E-9 3.754E-9 8.395E-9 1.877E-8 4.198E-8 9.386E-8 2.099E-7 4.6929999999E-7 0.0000010489999999 0.0000023469999999 0.000005247 0.00001173 0.000026239999999 35578-47-3 96430 144210024 Ac 4,4'-Dibromobenzil O=C(c1ccc(Br)cc1)C(=O)c2ccc(Br)cc2 Tox21_202826 -NCGC00255933-01 196701021 tox21-ror-cho-viability-p1 set1 4 0.69898454 -0.61960819 -1.40426884 -3.09029968 -0.4198396 -5.14546703 0.60921935 -5.7663444 -3.31158834 -0.19259085 -3.45178351 -0.62414234 -5.83077276 -0.87707853 -2.89132943 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17781-31-6 28768 144211576 A A Parinol OC(c1ccc(Cl)cc1)(c2cccnc2)c3ccc(Cl)cc3 Tox21_301259 -NCGC00257907-01 196702670 tox21-ror-cho-viability-p1 set1 4 12.0856016112 11.758682732 -8.758682732 3 2.3331733767 0.6317579246 0.0755608512 -8.01193991 -5.85468338 -4.39778235 -5.32059403 -8.52646615 -6.29573399 -9.1465546 -14.38223561 -9.54988939 -13.06216443 -12.28348867 -7.23337618 4.09274953 -1.78180051 4.727695 1.171E-9 2.618E-9 5.8529999999E-9 1.3089999999E-8 2.927E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.317E-7 0.0000016359999999 0.000003658 0.0000081809999999 0.00001829 0.0000409 0.00009146 723-46-6 5329 144207551 A A Sulfamethoxazole Cc2cc(NS(=O)(=O)c1ccc(N)cc1)no2 Tox21_200353 -NCGC00256074-01 196700639 tox21-ror-cho-viability-p1 set1 4 0.0685896219 -11.283077524 -1.5 -12.783077524 1.21 0.7641527123 0.0156242419 -4.71774934 0.99664285 -0.65364689 -2.22762681 -8.81244614 -1.96998426 -13.08002616 -10.6959881 -11.73194926 -10.05896879 -14.81923127 -12.19897758 -13.8422979 -10.53923074 -14.67905375 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7397-62-8 81882 144212245 A A Butyl hydroxyacetate OCC(=O)OCCCC Tox21_301928 -NCGC00256197-01 196700210 tox21-ror-cho-viability-p1 set1 4 1.04596097 0.22217087 1.27960955 2.31304543 2.60856581 0.96303075 -0.83995706 1.47821404 -1.46219338 -1.10120849 7.70166425 3.74170872 3.59389269 4.3009146 -0.0202313 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3278-89-5 76767 144212028 A Ac 1,3,5-Tribromo-2-(prop-2-en-1-yloxy)benzene Brc1cc(Br)cc(Br)c1OCC=C Tox21_301711 -NCGC00090776-02 196700220 tox21-ror-cho-viability-p1 set1 4 15.0746540309 17.7896135519 -6.7896135519 11 0.3 0.5844989872 0.1089932828 -6.65680547 -4.33674264 -7.32467796 -3.9380229 -4.68873109 -1.850571 -4.64264389 -2.59314767 -0.17117385 -1.43264113 4.58281242 -2.14632735 -4.63690013 7.81495196 5.41976799 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00256293-01 196700222 tox21-ror-cho-viability-p1 set1 4 0.0685896219 4.749670668 -2.249670668 2.5 1.031 0.3472115987 0.3261779401 -0.49917848 -0.8586965 -6.45805889 -0.34170376 0.3693689 0.26919166 -0.12212353 0.57132617 4.86581561 4.03692657 -1.6522624 4.01759243 -0.11167551 -0.26218157 6.23541439 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 70693-59-3 116814 144212014 A A 2-Amino-N-cyclohexyl-N-methylbenzenesulfonamide O=S(=O)(N(C)C1CCCCC1)c2ccccc2N Tox21_301697 -NCGC00255253-01 196700205 tox21-ror-cho-viability-p1 set1 4 1.27944049 2.5396098 -0.97521035 -14.18762211 -0.8053731 4.47525969 0.16185835 1.84541567 0.53508005 3.23437742 2.39638163 2.0714023 1.31161149 4.42436166 5.42695243 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 357-57-3 442021 144212491 A A Brucine COc1cc2c(cc1OC)N5C(=O)C[C@@H]4OCC=C3CN7CC[C@]26[C@@H]7C[C@@H]3[C@@H]4[C@H]56 Tox21_302174 -NCGC00255128-01 196700209 tox21-ror-cho-viability-p1 set1 4 68.5896218971 15.61674548 -1.61674548 14 3.6772481694 0.6814315789 0.0475646987 -6.3472879 -1.15862093 -0.8350549 -0.80756383 -0.408511 -0.69148422 -5.4982342 0.32424906 -4.14223153 -0.5906877 0.6156307 -1.62629273 0.12191678 0.23468898 10.03802772 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-36-7 8179 144212367 A Ac Diethylene glycol diethyl ether CCOCCOCCOCC Tox21_302050 -NCGC00258259-01 196701853 tox21-ror-cho-viability-p1 set1 -2.1 61.4415298105 -87.3305232714 -6.609136717 -93.9396599884 3.0654483358 0.9606874222 0.0000022242 -6.80651592 -6.67680033 -1.86674101 -9.5874465 -9.88427313 -4.98466577 -4.29740629 -12.16505043 1.1370793 -5.6498249 -5.61316178 -11.29079551 -13.05613574 -25.34349028 -74.95428787 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.626E-8 1.482E-7 3.3129999999E-7 7.408E-7 0.000001656 0.000003704 0.000008282 0.00001852 0.000041409999999 0.000092589999999 485-47-2 10236 144207903 Ac Ac Ninhydrin O=C2c1ccccc1C(=O)C2(O)O Tox21_200705 -NCGC00253964-01 196699798 tox21-ror-cho-viability-p1 set1 4 -1.00544971 2.32546581 1.24040421 0.12494428 1.86590243 0.53025036 3.5797461 1.20462658 3.06003119 2.44028605 0.30022068 -0.31281834 -1.06291244 1.39440486 5.04793644 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1119-40-0 14242 144210435 A A Dimethyl glutarate O=C(CCCC(=O)OC)OC Tox21_300115 -NCGC00255478-01 196700620 tox21-ror-cho-viability-p1 set1 4 0.2433651621 -11.1744802039 -2.266078172 -13.4405583759 0.8999999999 0.5523762451 0.1340192757 -5.95272726 -2.64467683 -2.54451455 -9.62215547 -4.75393331 -3.90560741 -0.22173181 -10.04935275 -11.1461689 -17.86713198 -14.2715858 -9.58072762 -11.57308556 -11.69177775 -13.30495632 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3572-06-3 19137 144211948 A A 4-(4-(Acetyloxy)phenyl)-2-butanone O=C(C)Oc1ccc(cc1)CCC(C)=O Tox21_301631 -NCGC00256007-01 196701433 tox21-ror-cho-viability-p1 set1 4 -2.73163776 -1.8721 -2.68988975 -3.23136695 -1.61184632 -0.16189178 -1.0247904 1.02717671 1.10479081 1.41608861 0.15668766 -4.82583726 1.27752625 -1.06871024 -2.32627859 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19819-98-8 88267 144212604 A A 2-Methylphenethyl alcohol OCCc1ccccc1C Tox21_302287 -NCGC00254258-01 196699792 tox21-ror-cho-viability-p1 set1 -1.2 6.1130564862 -53.3303958995 -2.340625016 -55.6710209155 2.7867712143 0.9850286029 8.8E-9 0.19418682 -5.2039984 -1.05332317 0.37752709 -0.06191612 -9.44203188 -1.86750826 0.31208197 -3.23158806 -5.91457841 -11.17668768 -38.76884706 -54.25977186 -53.43127474 -58.02872307 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 128-04-1 560256 144210709 AC Ac Sodium dimethyldithiocarbamate [Na+].CN(C)C([S-])=S Tox21_300391 -NCGC00254161-01 196699799 tox21-ror-cho-viability-p1 set1 4 0.55702325 -0.7823776 -2.34619074 -0.1235191 -2.56646899 -0.22897823 1.24508884 0.00965152 3.29285323 -0.2607683 0.73966626 0.07008274 1.42817396 0.57571202 1.01498202 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-29-7 7292 144210482 A I 2-Butanone oxime C/C(CC)=N\O Tox21_300162 -NCGC00091284-03 196701026 tox21-ror-cho-viability-p1 set1 4 21.6899429044 -26.6885904199 -4 -30.6885904199 0.6 0.5657436723 0.1226791165 -9.30538858 0.46849868 -5.33771425 -0.99467442 -2.30407957 -16.71204426 -4.5875 -4.5077645 -11.28864417 -1.33589179 -10.100669 -15.88885856 -12.58450621 -28.07382535 -18.73798295 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00165769-03 196698587 tox21-ror-cho-viability-p1 set1 4 1.50653287 2.5243487 0.6352919 -1.44926175 1.23372385 3.79174085 0.82927223 1.33374539 1.45489638 -0.178896 0.14651279 6.91373277 1.36664334 2.1431729 0.70558732 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 74697-28-2 16219127 170466522 A Cloricromen hydrochloride Cl.O=C(OCC)COc2ccc1c(OC(=O)C(CCN(CC)CC)=C1C)c2Cl Tox21_112260_1 -NCGC00249890-01 196698566 tox21-ror-cho-viability-p1 set1 4 37.5780357627 10.6469302079 -0.6469302079 10 4.9549173134 0.5603598128 0.1295318381 0.07564213 -2.72015479 -5.12244184 0.55592276 -1.70753787 0.8017933 -0.69405377 -1.73753567 2.60227911 -2.4153171 -1.23589252 1.11172036 1.27248936 -1.03141374 7.7522678 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64-55-1 6151 170465233 A A Mebutamate O=C(N)OCC(C)(COC(=O)N)C(C)CC Tox21_113666 -NCGC00255056-01 196699394 tox21-ror-cho-viability-p1 set1 4 0.6113056486 12.014101196 -11.014101196 1 0.2 0.3303600859 0.3413498594 -5.11859831 -12.09508433 -5.73104638 -10.16823918 -7.58526333 -7.50530233 0.39430671 -3.98553868 -4.25553339 -6.80666098 -7.68867233 -0.99733735 -4.89905478 -2.76936738 -0.53625902 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111109-77-4 86302 144211475 A Dipropylene glycol dimethyl ether COCCCOCCCOC Tox21_301158 -NCGC00254019-01 196699397 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -10.271978072 1 -9.271978072 4.0949729863 0.5736366884 0.1195098257 3.23505972 3.25739802 0.53156182 0.50453736 1.14772751 2.02826335 -0.30928249 1.5042611 2.94130075 -3.73928021 0.0409965 0.01098936 0.23263188 0.09832369 -6.89331506 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-95-2 996 144210362 A A Phenol Oc1ccccc1 Tox21_300042 -NCGC00256284-01 196701035 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -35.494347748 1.5 -33.994347748 4.9549173134 0.9266149487 0.0000661755 1.25595511 0.20136447 2.64068959 0.36507005 2.2531362 1.68467733 -1.12689392 -0.0233322 0.01727814 7.41488963 1.36119672 1.40220611 0.31483114 1.76714541 -27.49528979 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3407-42-9 103005 144212093 Z F 3-(5,5,6-Trimethylbicyclo[2.2.1]hept-2-yl)cyclohexanol OC1CC(CCC1)C2CC3CC2C(C)C3(C)C Tox21_301776 -NCGC00255233-01 196701426 tox21-ror-cho-viability-p1 set1 4 -3.92900186 -1.93388055 -0.41224093 -1.90679982 -2.62451921 -3.76627145 1.82230001 0.45108738 0.02047095 -2.84947047 -8.40169917 -0.69380558 0.59951225 -3.99054447 -5.64481843 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 155141-29-0 5281055 144212684 A A Rosiglitazone maleate O=C(O)/C=C\C(=O)O.CN(CCOc2ccc(CC1SC(=O)NC1=O)cc2)c3ccccn3 Tox21_302367 -NCGC00254308-01 196699006 tox21-ror-cho-viability-p1 set1 4 4.3277125691 -10.39335424 -2.3011980999 -12.6945523399 0.7 0.5416962475 0.1594354062 -5.02565412 -1.419764 -1.08433175 -2.77685003 -3.29735704 -3.254088 -1.51407981 -1.52208076 -6.26630501 -3.50392757 -13.06826452 -8.26512778 -4.21297968 -13.91212695 3.77908503 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-66-7 7061 144210886 A B N,N-Diethylaniline CCN(CC)c1ccccc1 Tox21_300569 -NCGC00256237-01 196701438 tox21-ror-cho-viability-p1 set1 4 38.5707788719 7.8949888799 -2.8949888799 5 3.2974983358 0.4726476565 0.2054995877 -3.07582199 -6.5791574 -5.42782887 0.24023095 -0.40999899 -5.90037465 -0.63095513 -6.27349088 -0.03432028 -2.40043397 -3.44241119 -5.17058695 0.51449073 0.48029472 5.45919839 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-26-5 8171 144212328 A A 1,2-Bis(2-chloroethoxy)ethane ClCCOCCOCCCl Tox21_302011 -NCGC00257851-01 196701846 tox21-ror-cho-viability-p1 set1 -2.4 44.8663035185 -32.9044697399 -2.5 -35.4044697399 2.2526478767 0.7720833417 0.0135647841 -5.75963562 3.58404665 -13.08181968 0.82613595 0.89799964 0.19690036 -1.81293562 -7.87167233 -3.29175433 -2.73991101 -4.66503066 0.04750145 -2.42964009 -19.47769282 -29.92039145 1.216E-9 2.719E-9 6.0809999999E-9 1.36E-8 3.04E-8 6.7979999999E-8 1.5199999999E-7 3.3989999999E-7 7.6009999999E-7 0.0000016999999999 0.0000037999999999 0.0000084979999999 0.000018999999999 0.00004249 0.00009501 15950-66-0 27582 144207495 A A 2,3,4-Trichlorophenol Oc1ccc(Cl)c(Cl)c1Cl Tox21_200297 -NCGC00256168-01 196700617 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -19.392903716 1.5 -17.892903716 4.9549173134 0.8722104553 0.0010817631 1.39056405 3.25214652 3.54486166 2.65018675 0.41132364 2.83484244 1.3853597 -1.68789777 2.2395854 3.61978063 -0.20760431 2.2044548 -0.47478972 1.21519471 -14.49408643 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 116-81-4 22628 144212069 1-Amino-4-bromo-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid O=S(=O)(O)c3cc(Br)c2c(C(=O)c1ccccc1C2=O)c3N Tox21_301752 -NCGC00255482-01 196701429 tox21-ror-cho-viability-p1 set1 4 0.6113056486 -15.3454114679 -2 -17.3454114679 0.4 0.4609606398 0.2312859309 -2.85775556 -6.95689377 -0.89150891 0.16048702 -14.23965958 -9.48647138 -2.78388489 -2.24905242 -12.04388836 -10.35019319 -14.96302454 -17.78784289 -14.66793451 -10.44442259 0.46222613 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4468-42-2 20546 144211543 A Fc 3-Phenylhexane CCC(CCC)c1ccccc1 Tox21_301226 -NCGC00254839-01 196698988 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -10.958321444 -1 -11.958321444 4.9549173134 0.4995578792 0.1812956106 -5.89350816 -0.02229977 -3.83599813 -0.64577336 0.24440436 -4.5265743 0.1317996 0.55121632 -0.87227063 0.14861294 -3.51291363 2.45317126 -0.49065319 -1.33941636 -9.96526787 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84-62-8 6778 144211254 A A Diphenyl phthalate O=C(Oc1ccccc1)c3ccccc3C(=O)Oc2ccccc2 Tox21_300937 -NCGC00182996-01 196698579 tox21-ror-cho-viability-p1 set1 4 2.31567278 -1.00547315 2.32073391 1.21509632 -1.34875607 1.60653113 3.87039334 3.57004437 4.40157617 0.95650829 3.82583466 -1.84912632 0.25382746 -1.11707158 4.85591932 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 101001-34-7 65870 144206832 A A Pamicogrel O=C(OCC)Cn1cccc1c2nc(c(s2)c3ccc(OC)cc3)c4ccc(OC)cc4 Tox21_113281 -NCGC00249914-01 196698580 tox21-ror-cho-viability-p1 set1 4 0.85667926 2.63356552 1.82095141 0.21156856 3.04066532 -0.99111315 1.49679406 2.71437412 0.09488063 0.15267604 -0.25149857 2.80800108 1.05963071 -0.99923623 -5.69483882 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2179-37-5 2312 170465760 A A Bencyclane CN(C)CCCOC1(CCCCCC1)Cc2ccccc2 Tox21_113690 -NCGC00254734-01 196698985 tox21-ror-cho-viability-p1 set1 4 0.20308997 -0.25808207 0.69583674 0.88158257 -4.19874411 0.61058997 1.6591503 1.39125358 5.42032029 0.4508724 0.03700002 -0.65502919 -0.66558369 0.11228585 3.16862374 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23564-05-8 3032791 144211147 A A Thiophanate-methyl S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC Tox21_300830 -NCGC00255017-01 196698994 tox21-ror-cho-viability-p1 set1 -1.1 17.2289340586 -54.5352489079 -3.190572983 -57.7258218909 2.2526478767 0.9350018322 0.0000346626 -5.07776839 -7.57452043 -6.58691316 -3.55405717 -0.08113962 -0.55834973 -0.41161113 -3.65558033 0.30413168 -1.94352413 -12.50665661 -10.52614033 -28.8029024 -61.60159815 -48.57787729 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55406-53-6 62097 144211434 A A 3-Iodo-2-propynyl-N-butylcarbamate O=C(NCCCC)OCC#CI Tox21_301117 -NCGC00159343-05 196698615 tox21-ror-cho-viability-p1 set1 4 2.77832471 -2.43959498 -2.53407859 1.77078324 -1.34695697 -0.7040319 -5.11056813 0.25808118 3.11857313 -0.0322139 3.33976853 4.14357105 0.71007322 1.83005911 2.35024078 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 36282-47-0 33741 170464654 A Tramadol hydrochloride O[C@@]1(CCCC[C@@H]1CN(C)C)c2cc(OC)ccc2 Tox21_111588_1 -NCGC00163843-03 196699408 tox21-ror-cho-viability-p1 set1 4 0.0139223639 5.3309713719 -5.3309713719 0 4.9549173134 0.7284789013 0.0273589108 -7.35914281 -2.99731939 -6.43744255 -2.78597779 0.84504539 0.19971082 0.61861232 0.57336359 2.79740856 -0.09966805 -0.29536511 -3.10971772 0.14716673 0.0889241 0.74328382 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00254188-01 196699410 tox21-ror-cho-viability-p1 set1 4 -0.27250913 0.54338318 -4.31155318 0.01023062 1.62021387 0.01408628 -0.44324101 0.40243887 1.99897215 1.66282665 0.10995607 1.54409371 -0.29504653 0.44143138 2.89681085 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-86-0 7585 144210462 A A 2-Benzylideneoctanal O=CC(CCCCCC)=Cc1ccccc1 Tox21_300142 -NCGC00024994-06 196698600 tox21-ror-cho-viability-p1 set1 4 3.37161523 3.2289336 -0.13097662 3.83275375 0.28156645 -0.04750669 0.59369928 2.65540888 -0.41839994 1.15088151 1.04680384 -0.75320246 -0.38577362 1.12966961 2.31292189 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14611-52-0 26758 170464993 A Selegiline hydrochloride Cl.C#CCN(C)[C@H](C)Cc1ccccc1 Tox21_110572_1 -NCGC00159421-03 196697783 tox21-ror-cho-viability-p1 set1 4 2.51451312 7.63559011 5.02664599 -2.44195298 0.0583291 2.3141429 0.48713133 5.5648608 0.18462826 3.69323895 -0.74188847 2.37151714 1.87487984 0.34154887 -0.5675719 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 484-23-1 10230 170466387 Z Dihydralazine NNc2nnc(NN)c1ccccc12 Tox21_111653_1 -NCGC00015095-15 196698181 tox21-ror-cho-viability-p1 set1 4 -0.47153185 6.62778731 1.61364063 -0.71180755 0.40617299 0.60595867 1.04260136 0.36984429 -0.44832553 0.50306681 -1.8723072 -0.47129722 0.28592721 0.08977487 1.24438436 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 549-18-8 11065 170464758 A Amitriptyline hydrochloride Cl.CN(C)CC\C=C1\c3ccccc3CCc2ccccc12 Tox21_113122_1 -NCGC00023373-03 196698193 tox21-ror-cho-viability-p1 set1 4 -2.55059157 -2.63062625 -2.33047308 1.97553289 -2.9819064 -0.2866129 0.16306284 -0.23601851 -4.61238352 -2.65826862 9.77296747 -1.86897558 0.81102451 1.29004635 1.07268038 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25122-46-7 32798 170465385 A Clobetasol propionate ClCC(=O)[C@@]4(OC(=O)CC)[C@@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_111414_1 -NCGC00066947-05 196699016 tox21-ror-cho-viability-p1 set1 4 4.75635571 4.09298751 1.12177259 -1.52261967 4.17507824 0.0937645 4.66443604 1.1845379 2.21335679 3.87508781 4.72079891 0.75812479 1.59721481 1.26286277 1.51671478 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00253595-01 196698604 tox21-ror-cho-viability-p1 set1 -3 33.4914596268 -105.1879344023 1.653894486 -103.5340399163 4.9549173134 0.9836542939 1.47E-8 2.02854142 1.07886511 0.26099117 0.96487517 -1.04873203 0.89352099 1.00114962 1.27552028 1.45337371 0.90116102 2.14197484 2.64172188 1.85928278 2.3781206 -90.81933326 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 47739-98-0 2793 170465785 A A Clocapramine Clc4ccc5CCc1ccccc1N(CCCN2CCC(CC2)(C(N)=O)N3CCCCC3)c5c4 Tox21_113731 -NCGC00091086-02 196698610 tox21-ror-cho-viability-p1 set1 4 2.77294553 -0.96079925 -3.31054382 1.80395644 0.31643323 0.38014379 -3.98999445 -0.42715013 2.18832451 0.15928654 -1.26770035 -2.22434162 2.2092275 2.70001106 4.95597618 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00254167-01 196699014 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -57.8225658229 0.342418159 -57.4801476639 4.9549173134 0.9451647152 0.0000139165 1.26226086 1.21639155 -3.65654625 0.1986083 -4.69751565 1.13622726 1.05661584 0.76350546 -0.50563699 4.36935201 0.92980271 2.32138844 -4.566858 1.56097666 -47.2064664 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-76-4 7311 144210434 A A 2,4-Di-tert-butylphenol CC(C)(C)c1cc(ccc1O)C(C)(C)C Tox21_300114 -NCGC00091759-02 196699021 tox21-ror-cho-viability-p1 set1 4 54.4826732819 -10.3129754559 0 -10.3129754559 3.5117481694 0.4748384385 0.2033814209 -1.77518355 5.23723523 -3.78396978 5.36105269 -0.5704351 -1.07253224 -1.32260355 -0.63879167 -1.08303745 -1.16559967 0.63745299 -2.40246075 0.93975083 -3.19143061 -9.01081288 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00257521-01 196699423 tox21-ror-cho-viability-p1 set1 4 7.04284461 -0.67350397 0.58309406 -0.36733294 4.1709026 -1.25877012 -1.1807501 0.90775574 -1.41570606 0.08528802 6.65228672 0.10034738 -1.56629386 7.61265699 10.54547423 1.3339999999E-9 2.982E-9 6.668E-9 1.491E-8 3.334E-8 7.455E-8 1.6669999999E-7 3.728E-7 8.3349999999E-7 0.000001864 0.000004168 0.000009319 0.00002084 0.0000466 0.0001042 100-55-0 7510 144211156 AC Ac Nicotinyl alcohol OCc1cccnc1 Tox21_300839 -NCGC00254713-01 196699815 tox21-ror-cho-viability-p1 set1 4 76.4894813809 -23.8922261759 1 -22.8922261759 4.9549173134 0.882060383 0.0007348494 1.16364081 0.17044379 4.37776672 1.1240206 0.06676505 -0.63459089 -0.0972017 3.53837547 2.47469128 2.08683552 1.74110601 -1.061073 -0.4614427 1.85118744 -16.16018848 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 1825-19-0 15766 144211126 Pentachlorothioanisole Clc1c(SC)c(Cl)c(Cl)c(Cl)c1Cl Tox21_300809 -NCGC00090827-04 196723952 tox21-ror-cho-viability-p1 set3 4 5.4926222114 -6.695269108 1 -5.695269108 4.9549173134 0.3028039924 0.3804135572 -5.43836568 -0.95790269 -0.55676538 -0.40987346 2.17514503 3.79771492 6.085256 5.59287093 -6.30070296 4.78353557 0.96449289 -5.24164257 -9.74605759 -1.12378259 0.98227208 1.188E-9 2.656E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.641E-8 1.4849999999E-7 3.321E-7 7.425E-7 0.0000016599999999 0.000003712 0.0000083009999999 0.00001856 0.000041509999999 0.00009281 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00095911-06 196697793 tox21-ror-cho-viability-p1 set1 4 0.1333319023 4.7693088159 -4.2693088159 0.5 4.9549173134 0.4896144661 0.1896430665 -5.20493576 -1.65007651 -9.39109068 -1.73931166 -3.90530011 -2.3926881 -6.9368461 0.47099149 3.8291372 -1.52949171 3.90413294 0.33704221 -1.6882954 -0.40524792 -1.50510071 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 111974-69-7 5002 170465146 A Quetiapine OCCOCCN1CCN(CC1)C3=Nc4ccccc4Sc2ccccc23 Tox21_111537_1 -NCGC00253740-01 196723535 tox21-ror-cho-viability-p1 set3 4 29.8492948118 7.9036252759 -1.9036252759 6 4.0949729863 0.3957370473 0.2801045529 -1.34407563 -1.2237714 -1.88155468 0.38312988 0.53820801 -3.01934772 1.93803433 -2.70447689 -3.94424529 -6.16968773 -1.74794237 -6.01870011 -0.76114114 -0.74208742 4.87328338 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 175481-36-4 219078 170466190 A A Lacosamide CC(=O)N[C@H](COC)C(=O)NCc1ccccc1 Tox21_113857 -NCGC00015748-17 196723537 tox21-ror-cho-viability-p1 set3 4 3.20986783 4.87053486 12.43069854 0.68155861 2.66537409 1.0585016 3.65489094 3.545202 -22.76580465 8.39542898 13.92639283 7.58644548 4.26492877 5.16535431 15.57798173 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21829-25-4 4485 170465006 B Nifedipine CC=1NC(C)=C(C(C=1C(=O)OC)c2ccccc2[N+]([O-])=O)C(=O)OC Tox21_110212_1 -NCGC00179367-03 196697800 tox21-ror-cho-viability-p1 set1 4 1.75839436 1.43527212 -1.37490043 0.24627798 -2.63781807 -3.63448568 -4.5441365 -1.48419386 2.31695532 -2.64569704 0.0594769 -1.79313825 -2.14233672 -2.46942943 -0.63129734 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 73334-07-3 3736 170465023 I Iopromide O=C(Nc1c(I)c(c(I)c(c1I)C(=O)N(C)CC(O)CO)C(=O)NCC(O)CO)COC Tox21_110684_1 -NCGC00253962-01 196719869 tox21-ror-cho-viability-p1 set3 4 0.6838041867 -15.8105989559 -1 -16.8105989559 3.1319983358 0.5874357234 0.105898792 -5.31191283 -5.08412925 1.40222909 2.97135132 2.60634126 2.88885298 -7.2588045 -4.50260269 -7.18115191 -23.46215859 -24.42549913 -18.91837865 0.69967976 -20.87273091 -16.01065531 1.177E-9 2.631E-9 5.884E-9 1.316E-8 2.942E-8 6.578E-8 1.471E-7 3.289E-7 7.355E-7 0.000001645 0.0000036769999999 0.000008223 0.00001839 0.00004111 0.000091939999999 119-93-7 8413 144210598 A A 3,3'-Dimethylbenzidine Cc1cc(ccc1N)c2ccc(N)c(C)c2 Tox21_300278 -NCGC00016667-04 196723529 tox21-ror-cho-viability-p1 set3 4 29.8492948118 16.9098028559 -2.9098028559 14 4.9549173134 0.3708998946 0.2998935641 -7.80940474 -0.76568985 2.10605542 -8.50547419 3.48882151 2.385495 1.67570897 -14.09150238 3.59853814 -4.38835992 -2.96499427 -4.89150491 -5.6478044 -0.33347912 12.21520535 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5987-82-6 6420040 170464771 A Benoxinate hydrochloride Cl.CCN(CC)CCOC(=O)c1cc(OCCCC)c(N)cc1 Tox21_110553_1 -NCGC00254260-01 196699438 tox21-ror-cho-viability-p1 set1 4 76.9588215421 13.1162832599 -0.1162832599 13 4.9549173134 0.7824359472 0.0116121732 -0.26990119 -2.18023605 -0.54285091 -1.15435698 0.22310436 0.55606542 -0.64805803 -0.37970201 0.51717887 0.13192433 4.0254589 -0.18429579 -0.65406038 -0.23855304 9.7966219 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-45-2 7935 144210808 A A 1,3-Benzenediamine Nc1cccc(N)c1 Tox21_300490 -NCGC00247726-01 196723533 tox21-ror-cho-viability-p1 set3 2.1 54.0575015823 67.606761794 1.193228464 68.799990258 1.34431 0.8918828141 0.0004737618 -3.25527949 1.98008659 1.33746227 -3.56541077 -0.19830444 11.10554178 1.89972897 -1.67622025 -6.08897628 8.35915231 8.66771757 9.1164906 29.05985434 29.02340591 64.04760745 1.894E-9 4.2349999999E-9 9.4699999999E-9 2.118E-8 4.735E-8 1.0589999999E-7 2.368E-7 5.294E-7 0.0000011839999999 0.000002647 0.0000059189999999 0.00001324 0.00002959 0.00006618 0.000148 68677-26-9 60196335 144206445 B B N,N-Dimethyltryptamine fumarate O=C(O)/C=C/C(=O)O.CN(C)CCc2cnc1ccccc12 Tox21_112892 -NCGC00164588-02 196723527 tox21-ror-cho-viability-p1 set3 4 2.3710137656 -12.452564232 -1 -13.452564232 0.7999999999 0.9028169112 0.0002834263 -0.2990048 -1.94616798 0.37725812 -2.46580214 -1.55304697 -1.32068707 -1.65923123 -0.92408065 -1.44543984 -7.49373122 -5.93806664 -9.7204792 -9.30705083 -9.71450556 -14.12713686 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59937-28-9 4006 170465879 Ac Malotilate CC(C)OC(=O)C(/C(=O)OC(C)C)=C1/SC=CS1 Tox21_112214_1 -NCGC00166056-02 196723531 tox21-ror-cho-viability-p1 set3 4 -1.59951692 2.64557681 4.88326871 -1.75896882 2.69151584 2.34845167 3.6719957 1.55211392 12.19758074 7.04143186 9.75942133 -0.71172271 0.73684686 -3.3439692 8.35220482 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 614-18-6 69188 170466863 A Ethyl nicotinate O=C(OCC)c1cccnc1 Tox21_112299_1 -NCGC00357176-01 196723945 tox21-ror-cho-viability-p1 set3 4 -4.61784348 2.13599633 2.57519875 2.74646377 -6.27322574 -2.7001426 1.86981442 -2.02128709 -0.3931643 -4.16821534 -1.13905034 0.14541777 -1.69511684 -7.36777628 -6.6098525 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-02-7 66726 251919972 A 2,5-Dimethoxybenzaldehyde COc1ccc(cc1C=O)OC Tox21_303938 -NCGC00255008-01 196699031 tox21-ror-cho-viability-p1 set1 4 3.12251668 -0.74073605 1.66261005 2.80847551 1.77270066 0.33871109 2.22735951 0.71739241 -0.8290849 3.56737746 2.83693145 2.56211615 0.37646832 -0.61413542 -0.46449988 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-29-6 5355856 144211425 B F Geranyl butyrate C\C(C)=C\CCC(\C)=C\COC(=O)CCC Tox21_301108 -NCGC00254822-01 196699434 tox21-ror-cho-viability-p1 set1 4 54.4826732819 12.860631644 -0.860631644 12 4.4494702849 0.8585403046 0.0017705268 1.16841465 -0.28670379 -0.5796413 1.45040743 0.19852971 -0.4205175 -0.62337222 -2.80052637 -0.2494209 -1.85494265 -2.71029621 -1.35206254 -1.23287606 2.13142361 10.605488 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1596-84-5 15331 144211236 A A Daminozide O=C(NN(C)C)CCC(=O)O Tox21_300919 -NCGC00254910-01 196719864 tox21-ror-cho-viability-p1 set3 4 0.0068589622 23.29087636 -16.79087636 6.5 0.2 0.48862139 0.1892521457 -8.54364201 -11.0757303 0.67699134 -1.60978971 -4.97333869 -2.83531181 0.45773175 -1.66218098 0.8580596 1.76714086 -0.54763411 -1.42996335 -1.80173285 0.69799316 11.28928977 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-88-9 7533 144211325 A Fc Cyclamic acid OS(=O)(=O)NC1CCCCC1 Tox21_301008 -NCGC00254681-01 196719874 tox21-ror-cho-viability-p1 set3 4 68.5896218971 22.259776364 -1.259776364 21 4.9549173134 0.6666229336 0.054818201 -6.88314697 -3.8329426 -6.4250973 -4.34657499 0.88009218 0.67803604 -0.7041446 1.57515374 -5.48616404 -1.07145035 2.54004575 3.00421631 2.30484865 0.05650567 16.82820808 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22781-23-3 2314 144211094 A Ac Bendiocarb CNC(=O)Oc1cccc2OC(C)(C)Oc12 Tox21_300777 -NCGC00357257-01 196723949 tox21-ror-cho-viability-p1 set3 4 0.0076958822 11.8066870039 -9.8066870039 2 0.5999999999 0.7786006595 0.0165890127 -8.17223917 -3.66734603 -4.99837685 -3.13118533 -1.18929652 -3.15951194 1.09005557 1.40373478 3.13544346 1.95760831 2.48139452 -1.81183528 1.72139895 4.26572165 -7.52734949 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 617-89-0 3438 251919923 Ac Furfurylamine NCc1ccco1 Tox21_304050 -NCGC00164547-06 196717786 tox21-ror-cho-viability-p1 set2 4 37.5780357627 10.179885736 -1.179885736 9 4.9549173134 0.6391373038 0.0727775716 -3.77088489 -3.89990478 0.85488768 -2.96951204 -1.002016 -1.45882052 -0.26057718 1.09949347 -2.25809144 -1.66166999 -0.80000788 -0.94519325 0.83994278 -1.53387282 6.78223959 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 107753-78-6 5717 170464673 A Zafirlukast Cc1ccccc1S(=O)(=O)NC(=O)c5ccc(Cc3cn(C)c2ccc(cc23)NC(=O)OC4CCCC4)c(OC)c5 Tox21_112176_1 -NCGC00255064-01 196719862 tox21-ror-cho-viability-p1 set3 4 0.216899429 -10.633216012 9 -1.633216012 4.9549173134 0.6810279371 0.047172896 5.23408519 10.21562826 12.51232036 9.85588583 7.62113544 7.67882948 11.05751968 -4.78645291 -5.1447816 7.07659429 -1.62882762 -5.52768001 0.27459934 1.9492733 -5.45212142 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66441-23-4 47938 144211483 A B Fenoxaprop-ethyl O=C(OCC)C(C)Oc1ccc(cc1)Oc2nc3ccc(Cl)cc3o2 Tox21_301166 -NCGC00254904-01 196719863 tox21-ror-cho-viability-p1 set3 4 -3.19368854 -11.16671283 1.58347658 -2.7724792 -1.40560635 -1.80988728 -5.48569443 -3.79640678 1.30657403 -5.63896448 -1.62044658 -3.76636336 -0.10362924 -0.30654253 0.39171088 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-51-7 24705 144211319 FC Octamethyltrisiloxane C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C Tox21_301002 -NCGC00160450-03 196723541 tox21-ror-cho-viability-p1 set3 4 33.4914596268 13.512287364 -1.512287364 12 4.9549173134 0.3439551916 0.3262385958 -3.26433892 3.43269692 3.68585891 -1.33717362 -6.08173245 2.04078062 -7.51023947 -6.58538183 5.71624586 -2.229986 2.15700548 -2.72037531 -7.01696388 -3.61483872 10.69110727 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 18699-02-0 2018 170465954 A 4-Acetylaminophenylacetic acid O=C(C)Nc1ccc(cc1)CC(=O)O Tox21_111820_1 -NCGC00043225-04 196723549 tox21-ror-cho-viability-p1 set3 4 1.1883218301 -5.5492504039 2 -3.5492504039 4.9549173134 0.336709412 0.3337831865 -1.03294874 1.3163666 -1.11989893 0.83987976 3.41243578 -0.03135254 0.43096998 -0.84723599 13.86909422 2.13568559 -4.53174989 -5.45770867 -1.47563489 -3.30867843 -2.91266124 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 676-46-0 8736 170465632 Z Disodium 2-hydroxybutanedioate [Na+].[Na+].[O-]C(=O)C(O)CC([O-])=O Tox21_112699_1 -NCGC00254934-01 196720283 tox21-ror-cho-viability-p1 set3 4 0.1533968941 25.797907052 -20.297907052 5.5 0.2 0.4980256763 0.1803288945 -13.35793035 -15.9357288 -1.94709257 -18.58158921 -10.04190928 -10.60031269 -1.70034096 -7.24398211 -1.8201708 -6.86643849 -2.54312368 -7.95921328 -1.8687609 2.27817157 -0.53369386 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 21725-46-2 30773 144211349 A A Cyanazine Clc1nc(NCC)nc(NC(C)(C)C#N)n1 Tox21_301032 -NCGC00254540-01 196720286 tox21-ror-cho-viability-p1 set3 4 6.51769749 3.20066965 4.06891442 4.40064305 5.74801077 -1.73918611 9.25422818 12.07839063 10.78115998 17.21415883 18.75047739 12.61660184 0.55179048 9.69034087 10.61751673 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 169590-42-5 2662 144210916 A A Celecoxib NS(=O)(=O)c1ccc(cc1)n3nc(cc3c2ccc(C)cc2)C(F)(F)F Tox21_300599 -NCGC00253950-01 196720277 tox21-ror-cho-viability-p1 set3 -3 56.0250064492 -51.0278914825 -2.383889708 -53.4117811905 4.9549173134 0.8751400076 0.0009543621 -5.43884629 -8.7764168 3.67081677 2.67104461 -2.37314252 -2.45650284 3.16553275 -6.94041899 -2.61978657 3.54048841 -6.71758805 -3.13343869 -6.9707935 -5.22698653 -45.16808031 9.969E-10 2.229E-9 4.9839999999E-9 1.1149999999E-8 2.492E-8 5.573E-8 1.246E-7 2.786E-7 6.23E-7 0.000001393 0.000003115 0.000006966 0.00001558 0.00003483 0.000077879999999 221671-62-1 60196406 144210568 A F SR146131 trifluoroacetate (1:1) O=C(Nc3nc(c1cc(OC)c(Cl)cc1OC)c(CCC2CCCCC2)s3)c5cc4cc(C)cc(C)c4n5CC(=O)O.FC(F)(F)C(=O)O Tox21_300248 -NCGC00254137-01 196720290 tox21-ror-cho-viability-p1 set3 4 -4.58833505 8.82956883 -1.95284752 7.27069196 3.3336029 -2.31952832 3.87065386 -1.86021528 1.79724279 -3.25821491 4.87978983 5.83352247 1.36199969 5.8121446 6.52408058 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7632-00-0 23668193 144210345 Sodium nitrite [Na+].[O-]N=O Tox21_300025 -NCGC00263910-02 196717788 tox21-ror-cho-viability-p1 set2 4 -0.25543842 -0.15316861 2.65520093 4.51274049 5.19261796 6.22984063 8.36092264 3.29042196 -0.14683975 0.70822919 1.9096788 1.30770034 2.35640635 0.35064377 0.18286532 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 20701-77-3 176163 170466283 B F Aminopentamide sulfate O=S(=O)(O)O.NC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2 Tox21_113961 -NCGC00254327-01 196720280 tox21-ror-cho-viability-p1 set3 4 0.0030637859 19.792841768 -21.792841768 -2 0.6 0.4374467222 0.2365808631 -10.39199354 -19.82736814 -6.14417002 -4.4983256 -12.51825674 -2.92427917 -4.26503616 -1.67592453 0.10849486 -2.90543265 -4.66309191 -4.24618501 0.02033125 -1.11642053 -9.85382961 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86479-06-3 91741 144210729 A Hexaflumuron Clc1cc(cc(Cl)c1OC(F)(F)C(F)F)NC(=O)NC(=O)c2c(F)cccc2F Tox21_300411 -NCGC00253940-01 196719882 tox21-ror-cho-viability-p1 set3 4 0.0013685429 20.485326164 -20.485326164 0 0.4 0.6049915537 0.1079238757 -8.91672013 -15.40443847 -2.52904174 -3.12192735 -5.93610472 -7.11000334 -1.46140974 -1.55271734 -1.11557874 -3.01905731 0.33037658 0.88163039 -0.94200603 -1.02208494 -10.47118852 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 64-67-5 6163 144210489 FNS Diethyl sulfate O=S(=O)(OCC)OCC Tox21_300169 -NCGC00163169-05 196717386 tox21-ror-cho-viability-p1 set2 4 0.3349145963 -4.089199088 -1 -5.089199088 4.9549173134 0.4224875236 0.2531469701 -2.04017966 0.64282362 -0.75473548 -3.71683291 -0.50945328 -1.9558229 0.40108317 -0.16748288 -3.31135429 -10.49099924 -5.48783985 -0.71095404 -8.39297636 -1.71071623 -5.05083416 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15574-96-6 27400 170466311 A Pizotifen CN1CC/C(CC1)=C3\c4ccccc4CCc2sccc23 Tox21_112024_1 -NCGC00188429-02 196717388 tox21-ror-cho-viability-p1 set2 4 3.29525748 1.06156993 -0.1577847 -0.15308158 1.94993058 2.93246465 0.76720116 0.72802679 -1.28510899 -0.83365888 0.09900609 4.11214157 2.47289722 4.2157048 -0.63552353 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 114607-46-4 2006 170466060 A Acitazanolast O=C(O)C(=O)Nc1cccc(c1)c2nnnn2 Tox21_113173_1 -NCGC00022248-04 196717806 tox21-ror-cho-viability-p1 set2 4 -5.58873922 -0.08726888 -6.27454151 -0.41420204 -1.42583748 1.05542103 -0.06826913 -1.07318757 -3.64851996 -1.55451976 -1.41517913 -2.62329603 1.11686931 0.24143235 2.80081063 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 125-04-2 23694214 170465053 A Hydrocortisone 21-hemisuccinate sodium salt [Na+].[O-]C(=O)CCC(=O)OCC(=O)[C@@]4(O)CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_113501_1 -NCGC00257087-01 196718618 tox21-ror-cho-viability-p1 set2 4 1.27796277 -2.02715514 1.68628574 1.4608343 -1.22815254 2.75870624 2.5247589 2.24665532 -0.91592678 2.68694186 -0.67104042 2.41950634 2.2276168 3.21791676 6.07899711 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-67-1 6547 144213494 F 2,2'-Azobis(2-methylpropanenitrile) N#CC(C)(C)/N=N/C(C)(C)C#N Tox21_303177 -NCGC00257429-01 196718622 tox21-ror-cho-viability-p1 set2 4 -0.77975043 1.05475591 0.86660768 1.35561286 0.08104739 6.4721636 3.697193 1.03683608 2.55783337 0.90022969 6.01929118 0.34265688 0.50094046 2.17765923 0.8990316 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 838-85-7 13282 144213712 A Z Diphenyl phosphate OP(=O)(Oc1ccccc1)Oc2ccccc2 Tox21_303401 -NCGC00257301-01 196719046 tox21-ror-cho-viability-p1 set2 4 -0.80745836 -0.10979393 1.39069531 -2.1704628 -3.25167114 -6.97376869 0.57367616 -0.69303877 -0.03645732 -4.45644883 1.41249548 -0.46916069 -3.0581471 -4.43029172 -1.2126456 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 594-20-7 11660 144213846 Fns 2,2-Dichloropropane CC(C)(Cl)Cl Tox21_303540 -NCGC00163771-03 196717781 tox21-ror-cho-viability-p1 set2 4 -1.83641061 -0.90755347 3.85683815 1.9192447 1.69510301 5.54470667 6.32403678 7.81330829 2.86451825 3.54107441 2.0042696 -1.43958539 2.22552804 3.98614766 3.33547898 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00257574-01 196716599 tox21-ror-cho-viability-p1 set2 4 -1.24190276 1.57974742 -1.23957322 -2.76103787 0.57554054 -3.49868671 -2.03785593 -2.79285841 0.31657276 -0.93452742 1.20961845 0.5206673 -0.78665282 2.93797926 1.16870763 1.1699999999E-9 2.617E-9 5.851E-9 1.3079999999E-8 2.925E-8 6.5409999999E-8 1.463E-7 3.271E-7 7.314E-7 0.000001635 0.000003657 0.000008177 0.00001828 0.00004088 0.00009142 1619-16-5 6537505 144207218 A A Hydroxyvalerenic acid O=C(O)C(\C)=C\[C@@H]2CC[C@@H](C)[C@@H]1C2=C(C)C[C@H]1O Tox21_200020 -NCGC00254688-01 196714554 tox21-ror-cho-viability-p1 set2 4 -1.55509423 2.07839199 1.70920763 -0.02528511 -2.0035377 1.28430315 2.60275945 -0.93576382 -0.19085021 1.36611505 -0.70612595 6.73777704 6.74221068 7.14636495 3.65899457 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66215-27-8 47866 144211101 A Cyromazine Nc2nc(N)nc(NC1CC1)n2 Tox21_300784 -NCGC00254218-01 196714532 tox21-ror-cho-viability-p1 set2 2.2 54.4826732819 40.0663438479 -0.0663438479 40 1.9673362061 0.981169918 3.37E-8 -0.53268152 0.31934139 -0.90498682 -0.8229108 -0.58112202 -0.18454864 0.74809035 1.0455043 -0.87455308 -0.27863961 -1.30528654 0.04924811 6.83241751 12.86024016 30.86395237 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-39-5 5280343 144210605 A A Quercetin Oc1ccc(cc1O)C=3Oc2cc(O)cc(O)c2C(=O)C=3O Tox21_300285 -NCGC00257125-01 196719064 tox21-ror-cho-viability-p1 set2 2.2 21.6899429044 52.5104833593 2.6722922559 55.1827756152 1.21 0.8956756329 0.0007078029 4.23169058 4.00454031 -1.11311036 2.40126455 4.20392894 1.36241725 2.61305265 12.54700303 2.97234714 2.38352734 10.81741404 14.90935735 20.61334561 43.80664276 1.86284466 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 753-73-1 12955 144213454 A Dimethyltin dichloride C[Sn](C)(Cl)Cl Tox21_303137 -NCGC00254768-01 196719918 tox21-ror-cho-viability-p1 set3 4 -4.61209786 7.88220584 -0.26106733 -6.32470532 -5.95162894 -1.13287423 14.25057657 13.46044076 15.66869593 -4.81381336 6.35914673 -1.19825157 -3.83310495 -2.30181522 -12.1876265 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135158-54-2 86412 144211181 A A Acibenzolar-S-methyl O=C(SC)c1cccc2nnsc12 Tox21_300864 -NCGC00254802-01 196719924 tox21-ror-cho-viability-p1 set3 -2.2 24.3365162115 -51.3406986223 17.6172124674 -33.7234861549 0.5999999999 0.7162877186 0.0311330201 13.59676103 26.57168223 21.63533383 22.63057252 11.65766781 16.86820006 -0.51427915 20.7121212 0.14840448 17.90164673 11.10430914 -2.14607132 -7.58969742 -6.17694693 -23.89716764 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111812-58-9 9576412 144211215 A A Fenpyroximate (Z,E) Cc3nn(C)c(Oc1ccccc1)c3/C=N/OCc2ccc(cc2)C(=O)OC(C)(C)C Tox21_300898 -NCGC00253703-01 196717018 tox21-ror-cho-viability-p1 set2 4 0.2984929481 3.838581852 -3.338581852 0.5 4.9549173134 0.3179690261 0.3535732963 1.21005056 -8.11418478 -9.44881821 -1.57352191 -0.93072546 -1.41194796 -1.45046726 -5.03129623 0.1075311 0.17694324 1.60362105 1.60499628 -0.40259771 -0.12222729 -0.82343145 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5081-87-8 78766 170466704 B C 3-(2-Chloroethyl)quinazoline-2,4(1H,3H)-dione O=C1c2ccccc2NC(=O)N1CCCl Tox21_113823 -NCGC00091632-02 196716595 tox21-ror-cho-viability-p1 set2 4 2.48194752 1.88958939 -0.50868473 2.37458307 1.77640801 1.78677389 0.78634025 0.91017843 2.89059824 5.14515239 4.01424331 3.84396568 -0.45240026 0.05717017 -3.13032636 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00257000-01 196718253 tox21-ror-cho-viability-p1 set2 4 27.3060203028 6.265970316 -3.765970316 2.5 1.8079476909 0.3332583176 0.3393083579 -6.78918053 -2.16575 -5.01766656 -3.76142601 -0.54284642 -6.97629181 -4.19875297 1.81276217 -3.84420682 -8.97164193 -2.19295338 -3.84436105 -1.03333891 0.05060614 2.08468437 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 127-17-3 1060 144213601 Fns 2-Oxopropanoic acid CC(=O)C(=O)O Tox21_303284 -NCGC00257285-01 196718251 tox21-ror-cho-viability-p1 set2 4 -1.45893533 -4.30804695 0.38555765 1.10864464 -2.78642678 -6.53567024 -1.97235611 1.69239205 0.14240697 -0.14724619 -3.22262686 -3.12943959 -2.88738519 1.75734904 -2.9809803 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24549-06-2 32485 144213857 A Fc 2-Ethyl-6-methylaniline CCc1cccc(C)c1N Tox21_303552 -NCGC00257063-01 196718651 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -13.471599784 0.5 -12.971599784 4.9549173134 0.4201209002 0.2538613248 -1.09056238 -0.99490071 -0.39257431 5.58963984 -1.31535871 -9.40570678 2.30346675 1.6872417 1.02410418 3.3195601 1.18674812 0.62776003 2.26106411 -0.48527786 -10.39299982 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 118-56-9 8362 144213399 A Ac 3,3,5-Trimethylcyclohexyl salicylate O=C(OC1CC(C)CC(C)(C)C1)c2ccccc2O Tox21_303082 -NCGC00257080-01 196719477 tox21-ror-cho-viability-p1 set2 4 -1.07472896 0.63323466 -1.04343791 -0.38546187 0.19851065 3.24169278 2.51580102 5.15845949 1.47809592 1.23963781 8.56713264 0.70246983 1.42720963 2.45912561 0.42930813 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 122-52-1 31215 144213400 F F Triethyl phosphite CCOP(OCC)OCC Tox21_303083 -NCGC00091663-03 196719478 tox21-ror-cho-viability-p1 set2 4 -0.52378049 -0.60766747 2.14947878 1.58241411 0.39843181 6.53109331 3.88152988 3.22038813 0.59352206 4.79255051 6.46845611 1.76298901 0.0279255 1.47856013 0.57107898 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00255634-01 196719479 tox21-ror-cho-viability-p1 set2 4 0.5316784 -2.81252568 -4.32913589 -1.04770334 -6.153346 -4.43658481 -0.01234532 1.04835627 -1.10020359 -6.01064381 -1.65687311 -1.15903751 -3.70556313 -2.29150496 -7.10505321 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5349-51-9 79302 144211952 D A 4-(2-Methylbutan-2-yl)cyclohexanol OC1CCC(CC1)C(C)(C)CC Tox21_301635 -NCGC00257049-01 196719486 tox21-ror-cho-viability-p1 set2 4 0.0054482673 5.230720856 -4.730720856 0.5 4.9549173134 0.3585086144 0.3154062179 0.12126839 -10.19226738 -1.40444205 0.992414 0.03980479 -2.79801608 -0.64254925 -1.44367907 -0.82280941 -0.15609828 2.00278764 1.0184127 2.45032363 -0.11688676 2.58711838 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2050-47-7 16305 144213479 A A 4,4'-Dibromodiphenyl ether Brc2ccc(Oc1ccc(Br)cc1)cc2 Tox21_303162 -NCGC00256602-01 196719058 tox21-ror-cho-viability-p1 set2 4 -3.11918113 1.36604209 0.47365929 1.19890472 -1.59431243 1.24137744 0.36960564 -1.93795318 -2.82285653 2.31973842 0.12798281 -0.43761696 1.11102149 -2.3006238 0.07031077 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 536-60-7 325 144213114 A A 4-Isopropylbenzyl alcohol OCc1ccc(cc1)C(C)C Tox21_302797 -NCGC00256932-01 196718657 tox21-ror-cho-viability-p1 set2 4 0.0343762429 6.362188836 -3.362188836 3 3.0654483358 0.371547267 0.299957396 -1.29948274 -0.81605741 0.17733722 -14.05182403 1.99964133 1.10820794 2.94508886 5.84874897 6.05268252 2.20644131 7.73264203 1.91636299 1.80997583 -1.3201969 1.95690083 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3164-85-0 23669619 144213420 A Potassium 2-ethylhexanoate [K+].[O-]C(=O)C(CC)CCCC Tox21_303103 -NCGC00167472-03 196717428 tox21-ror-cho-viability-p1 set2 4 -3.76511313 -5.55921851 -1.0103788 -1.68224512 -2.8750648 -0.84042143 -1.06319712 -1.01313301 3.58429782 -0.16280302 0.17546082 -0.34530261 0.17018545 4.08850565 1.10848521 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68302-57-8 2161 170465365 A Amlexanox CC(C)c1cc2C(=O)c3cc(c(N)nc3Oc2cc1)C(=O)O Tox21_112476_1 -NCGC00258287-01 196716607 tox21-ror-cho-viability-p1 set2 4 3.45072088 1.48339045 0.07953312 -3.32824777 2.84455026 0.99464454 0.14196601 1.45823915 -5.82843875 -0.52203241 0.54849344 0.05443061 -4.65382141 1.71306276 1.91962752 1.2249999999E-9 2.739E-9 6.125E-9 1.37E-8 3.063E-8 6.848E-8 1.531E-7 3.4239999999E-7 7.657E-7 0.0000017119999999 0.000003828 0.000008561 0.00001914 0.0000428 0.000095709999999 685-91-6 12703 144207931 A A Diethylacetamide CCN(CC)C(C)=O Tox21_200733 -NCGC00024808-02 196717421 tox21-ror-cho-viability-p1 set2 4 -4.29541726 -1.08477384 -1.78536612 -3.45452614 1.01173608 -1.01590164 -2.67481623 -4.14211724 0.52344128 -7.23442233 -1.25715349 -3.35084052 -1.9455453 1.00720218 -0.99551312 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69014-14-8 50287 170466487 A Tiotidine N/C(N)=N/c1nc(CSCCNC(=N\C#N)\NC)cs1 Tox21_112041_1 -NCGC00159404-04 196717430 tox21-ror-cho-viability-p1 set2 4 -1.62427401 -0.6654278 1.20237284 4.97885113 4.19399796 5.30731598 5.18007672 3.82148282 -0.45131566 2.54099674 -0.3578002 2.38636408 -1.59488747 2.22998278 -1.43494648 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4065-45-6 19988 170465489 A Sulisobenzone OS(=O)(=O)c1cc(c(O)cc1OC)C(=O)c2ccccc2 Tox21_111639_1 -NCGC00257397-01 196719062 tox21-ror-cho-viability-p1 set2 -2.2 54.4826732819 -41.307973316 2 -39.307973316 3.1924983358 0.9672710985 7.973E-7 0.31255094 1.36113822 0.5329297 3.01057665 0.94108557 4.51407994 0.01100634 2.76851174 6.52141024 2.95867974 2.19256478 0.85263143 0.338926 -10.15071107 -32.75664443 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 199584-38-8 3420996 144213698 Ac F 1-Methoxy-4-tert-pentylcyclohexane COC1CCC(CC1)C(C)(C)CC Tox21_303386 -NCGC00179623-04 196717441 tox21-ror-cho-viability-p1 set2 4 0.41176308 0.0982167 0.06156965 0.70260666 3.5425197 3.74489506 4.06909441 -0.06258574 2.95701926 5.06983753 2.74558468 -0.05798849 0.85807164 0.32474064 0.7145193 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83915-83-7 5362118 170464907 Ac Lisinopril dihydrate O.O.OC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)N[C@@H](CCc1ccccc1)C(=O)O Tox21_110798_1 -NCGC00091351-03 196717844 tox21-ror-cho-viability-p1 set2 4 -4.31875852 1.95872025 -2.11866773 0.38267782 -0.90402557 -3.43055123 -1.38612514 -1.7005105 -3.26229648 -2.95739677 -1.36988862 -1.04135672 -2.10241342 -1.01700906 -1.57326062 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00257318-01 196719077 tox21-ror-cho-viability-p1 set2 -2.4 76.9588215421 -29.319449248 -3 -32.319449248 3.9899729863 0.6951696962 0.0403794467 -3.55829436 -2.49501105 -11.99198687 1.69249147 -3.43610871 -4.13241113 -4.25188339 -7.68246656 2.20504645 -3.09827544 -1.24515767 0.14084313 -3.34771759 -4.6053345 -23.59954104 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 133-18-6 8615 144213808 A A Phenethyl anthranilate Nc2ccccc2C(=O)OCCc1ccccc1 Tox21_303500 -NCGC00254943-01 196719518 tox21-ror-cho-viability-p1 set3 4 0.0385707789 9.4108425119 -9.9108425119 -0.5 3.5117481694 0.3560073963 0.3139628059 -1.30358322 -8.42033747 -5.39706124 -26.59236876 -5.98383937 -0.3120455 -1.10198435 -5.83576809 -3.77867732 -3.11627348 -0.41603282 0.25888953 -1.01703736 4.04753612 3.12709192 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-43-3 8114 144211358 FNS Propyl ether CCCOCCC Tox21_301041 -NCGC00179491-04 196717847 tox21-ror-cho-viability-p1 set2 4 0.06236312 0.76490192 1.29682493 3.67531188 3.80461077 5.04718056 5.34034885 6.71956045 -0.86921204 -0.71691084 -1.57001305 0.62924007 -2.00137734 0.79222895 6.64826277 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1195-16-0 14520 170466625 F Citiolone O=C1SCCC1NC(=O)C Tox21_113346_1 -NCGC00163939-02 196717851 tox21-ror-cho-viability-p1 set2 4 0.5308038637 -4.7648410839 4 -0.7648410839 3.0654483358 0.5263657024 0.174591586 3.30562722 0.46488892 2.88846315 1.88047297 4.616323 5.04136242 5.80556581 8.41036541 1.47017923 0.98732153 0.13119078 -3.13736757 0.01441402 0.19745351 6.93839639 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 28772-56-7 54680085 170465749 A Bromadiolone Brc1ccc(cc1)c2ccc(cc2)C(O)CC(C3=C(O)c4ccccc4OC3=O)c5ccccc5 Tox21_112561_1 -NCGC00254321-01 196714531 tox21-ror-cho-viability-p1 set2 4 1.12932825 -1.5295205 -2.96391994 -0.31922112 -0.83177005 -0.51669797 -3.37478328 -0.25186117 -0.80409135 -4.79322117 -3.51938322 -0.65936637 -1.31472277 -4.7309071 -5.22885767 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69-74-9 6252 144210806 A A Cytarabine hydrochloride Cl.NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O Tox21_300488 -NCGC00254724-01 196714547 tox21-ror-cho-viability-p1 set2 4 -1.41715927 0.6122134 -0.34548236 -0.48886164 3.36918357 -0.10980441 1.54003599 3.30163777 2.06847066 1.46747021 2.74245684 6.4899683 5.15215245 3.31765876 1.22586346 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-29-7 7647 144211137 A Ac Bibenzyl C(Cc1ccccc1)c2ccccc2 Tox21_300820 -NCGC00256894-01 196719063 tox21-ror-cho-viability-p1 set2 4 54.4826732819 -11.799033048 2.5 -9.299033048 1.59358881 0.4608475385 0.216258612 -0.39656822 -0.4552899 -0.10474226 0.08063342 6.30662783 4.26362306 -0.62361848 4.94580269 4.75716661 4.77011696 6.34383468 0.06078201 0.04774716 -1.38456863 -6.08252754 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 37609-25-9 162268 144212849 A A 5-Cyclohexadecen-1-one O=C1CCCCCCCCCCC=CCCC1 Tox21_302532 -NCGC00258551-01 196730074 tox21-ror-cho-viability-p1 set3 4 42.3984116456 -9.685716092 6 -3.685716092 2.7202212143 0.3554492784 0.3160869547 4.09838514 4.05270395 3.91487059 6.08658129 1.0042317 7.52609601 4.80804558 6.37534876 10.79990062 14.34776553 8.50999711 1.48802748 7.19016318 0.96527444 -2.65476341 1.16E-9 2.595E-9 5.802E-9 1.297E-8 2.901E-8 6.487E-8 1.45E-7 3.2429999999E-7 7.252E-7 0.000001622 0.0000036259999999 0.000008108 0.000018129999999 0.000040539999999 0.00009065 NOCAS_21988 31370 144208196 A B 1-Chloro-2-propanol, technical grade (~75% 1-chloro-2-propanol; ~25% 2-chloro-1-propanol) CC(O)CCl Tox21_200998 -NCGC00256667-01 196718663 tox21-ror-cho-viability-p1 set2 4 -0.14729937 -3.24375371 0.27867243 -2.57388449 -3.93375284 -0.16058066 -1.03837904 -1.88279671 -4.07507188 -2.17275636 -4.46892429 -1.51069283 0.32241018 -0.57423477 1.84485532 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-83-2 7460 144212867 Fns alpha-Phellandrene CC=1C=CC(CC=1)C(C)C Tox21_302550 -NCGC00257207-01 196719060 tox21-ror-cho-viability-p1 set2 4 1.42651713 -0.00587356 -0.29971755 1.93684425 0.90829556 2.78943949 0.47074111 3.05682862 -0.06051009 1.74097977 5.44038733 8.08504445 1.21439815 0.51628208 2.85017238 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 839-90-7 13286 144213556 A A Tris(2-hydroxyethyl) isocyanurate OCCN1C(=O)N(CCO)C(=O)N(CCO)C1=O Tox21_303239 -NCGC00254067-01 196714947 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -24.820131348 2 -22.820131348 4.9549173134 0.9730463511 2.674E-7 1.65439955 1.63468471 1.26878934 1.99317986 1.57576664 4.0100051 2.56865905 2.31354211 1.41423655 2.26599583 1.30742073 3.64779899 3.23711378 -0.11050006 -18.18344279 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 128-39-2 31405 144210411 A A 2,6-Di-tert-butylphenol CC(C)(C)c1cccc(c1O)C(C)(C)C Tox21_300091 -NCGC00254088-01 196714951 tox21-ror-cho-viability-p1 set2 4 0.29692037 -0.3242415 -0.20289719 -0.15755756 1.08490402 1.03440689 -0.7302497 2.09542303 -0.33841902 1.82792638 -0.53434441 1.3494983 2.53682403 -1.11848207 -0.17083051 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-43-3 7986 144210474 A A Dibutyl decanedioate O=C(CCCCCCCCC(=O)OCCCC)OCCCC Tox21_300154 -NCGC00090773-04 196714970 tox21-ror-cho-viability-p1 set2 4 1.54728902 -1.45218134 -2.73025256 1.50297497 1.57066396 -2.50333739 -2.78993802 -3.73885891 0.49863246 -0.42431368 -3.31141626 -0.18422483 -0.09722109 -1.15381329 -7.49823217 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00254131-01 196714965 tox21-ror-cho-viability-p1 set2 4 0.07637996 -0.3702268 3.9835506 0.31652994 0.07844186 1.10774657 1.17713071 1.00116405 4.84507898 1.97834624 0.09771246 4.27471442 4.15001355 0.03209795 0.60353482 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 929601-09-2 21935081 144210562 A A SR58611 Cl.Clc1cccc(c1)C(O)CNC2Cc3cc(ccc3CC2)OCC(=O)OCC Tox21_300242 -NCGC00258279-01 196715369 tox21-ror-cho-viability-p1 set2 -1.1 8.5559507124 -101.5289776604 1.2393538549 -100.2896238055 1.01 0.9956668035 0 0.85141936 -4.14121724 2.66522974 -0.67011093 -1.13745161 3.70231931 0.39116099 -0.40567072 -5.41988872 -13.09382197 -29.74428672 -48.88459365 -66.31748193 -81.40573602 -93.90414214 1.171E-9 2.618E-9 5.8529999999E-9 1.3089999999E-8 2.927E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.316E-7 0.0000016359999999 0.000003658 0.00000818 0.00001829 0.0000409 0.00009146 81-55-0 3378440 144207923 A B 1,8-Dihydroxy-4,5-dinitroanthraquinone [O-][N+](=O)c3ccc(O)c2c3C(=O)c1c(ccc(O)c1C2=O)[N+]([O-])=O Tox21_200725 -NCGC00258521-01 196730478 tox21-ror-cho-viability-p1 set3 4 0.5009253056 -19.448470672 -0.5 -19.948470672 4.9549173134 0.7203061179 0.0371363016 -1.49619212 -1.93312983 1.54212243 0.35607783 0.13718874 -3.06512773 1.43924168 -1.97468974 -18.17822582 -25.97897346 -29.12372556 -27.56585969 -12.44373637 -4.79949589 -2.36274148 1.211E-9 2.7079999999E-9 6.056E-9 1.3539999999E-8 3.028E-8 6.771E-8 1.514E-7 3.385E-7 7.57E-7 0.000001693 0.0000037849999999 0.000008464 0.00001893 0.00004232 0.00009463 6632-68-4 81133 144208166 A A 6-Amino-1,3-dimethyl-5-nitroso- 2,4(1H,3H)-pyrimidinedione CN1C(N)=C(N=O)C(=O)N(C)C1=O Tox21_200968 -NCGC00258414-01 196730080 tox21-ror-cho-viability-p1 set3 4 1.75614415 -1.05369172 4.11088993 2.22342369 -0.27272742 1.07013744 1.11227018 -0.21797553 2.15341998 0.74239896 0.5204798 -0.97008537 1.28623673 1.36792716 3.53970935 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.314E-8 2.9369999999E-8 6.568E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.000003672 0.00000821 0.000018359999999 0.000041049999999 0.00009179 1975-78-6 74791 144208058 A Ac Decanenitrile CCCCCCCCCC#N Tox21_200860 -NCGC00258541-01 196730474 tox21-ror-cho-viability-p1 set3 4 7.6802321654 -12.35140904 0 -12.35140904 3.1319983358 0.8424695163 0.0028348632 -1.88298826 -0.53329196 1.16039761 -1.31048654 0.91317018 0.85948626 -0.55303622 0.0519864 2.0804496 -0.8091241 -2.9872639 -4.8245735 -17.3761742 -8.87894949 -11.61889255 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.000003681 0.00000823 0.000018399999999 0.00004115 0.00009201 4196-86-5 20167 144208186 A A 2,2-Bis[(benzoyloxy)methyl]dibenzoate propanediol O=C(OCC(COC(=O)c1ccccc1)(COC(=O)c2ccccc2)COC(=O)c3ccccc3)c4ccccc4 Tox21_200988 -NCGC00257569-01 196730480 tox21-ror-cho-viability-p1 set3 4 -6.05721248 2.42414635 3.62370677 -7.50887411 3.83899877 2.17928425 -6.8361064 -5.68762223 -3.07976928 1.7344548 -7.35824415 -20.87611208 1.17714738 2.70251276 3.55524783 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004136 0.00009247 3012-37-1 18170 144207213 F Benzyl thiocyanate N#CSCc1ccccc1 Tox21_200015 -NCGC00257931-01 196730488 tox21-ror-cho-viability-p1 set3 4 61.5659893405 -7.2211453719 -0.5 -7.7211453719 3.9899729863 0.5790441169 0.1172022452 -1.05785348 -0.20478684 -1.82345612 0.0648662 -0.58124244 -0.77646457 -1.73498292 -0.63583686 -0.85563129 0.12753646 0.36250662 -0.66365764 4.02668358 -2.07708437 -6.43428781 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.9669999999E-8 6.635E-8 1.484E-7 3.318E-7 7.4179999999E-7 0.000001659 0.000003709 0.000008294 0.00001855 0.000041469999999 0.00009273 931-97-5 13610 144207575 D Cyclohexanone cyanohydrin N#CC1(O)CCCCC1 Tox21_200377 -NCGC00258149-01 196730492 tox21-ror-cho-viability-p1 set3 -2.2 61.3793157847 -43.9065548208 -3.5 -47.4065548208 2.7202212143 0.919521099 0.0001068331 -3.41228723 -8.35315227 -3.03703067 -2.57054728 -5.60450094 -2.63238298 -2.03231822 -5.31537928 0.68086563 0.02490928 -0.68255458 -8.27691673 -4.80783692 -13.99636346 -36.67163244 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.397E-7 0.0000016539999999 0.0000036989999999 0.0000082699999999 0.000018489999999 0.00004135 0.00009247 114569-84-5 2734227 144207793 D 1-Dodecyl-3-methylimidazolium chloride [Cl-].C[n+]1ccn(CCCCCCCCCCCC)c1 Tox21_200595 -NCGC00258354-01 196702872 tox21-ror-cho-viability-p1 set1 4 1.55742151 1.54443483 -0.66209395 -3.71231989 0.15204897 8.04422043 6.20145227 2.34647959 5.03944162 -2.40162846 1.25986415 3.34393232 1.73535248 3.95612191 5.79623281 1.173E-9 2.6229999999E-9 5.865E-9 1.311E-8 2.9319999999E-8 6.557E-8 1.466E-7 3.2779999999E-7 7.3309999999E-7 0.0000016389999999 0.000003665 0.0000081959999999 0.00001833 0.00004098 0.00009164 18559-94-9 2083 144207998 A A Albuterol OCc1cc(ccc1O)C(O)CNC(C)(C)C Tox21_200800 -NCGC00257898-01 196702879 tox21-ror-cho-viability-p1 set1 -2.2 34.2015225512 -45.506783952 -9.597982144 -55.104766096 0.8999999999 0.8280172194 0.0041588619 -4.66498512 -12.8459345 -10.31703313 -12.54261837 -13.8056187 -12.99200055 -13.10001005 -16.66939696 -10.75291981 -15.07974763 -16.0742664 -15.00456051 -20.20200821 -42.1248228 -39.56328471 1.175E-9 2.628E-9 5.877E-9 1.314E-8 2.9389999999E-8 6.571E-8 1.469E-7 3.285E-7 7.346E-7 0.000001643 0.000003673 0.0000082129999999 0.00001837 0.00004107 0.00009183 6219-89-2 22586 144207542 Fc 4-Amino-4'-hydroxy-3-methyldiphenylamine Oc2ccc(Nc1cc(C)c(N)cc1)cc2 Tox21_200344 -NCGC00258599-01 196702861 tox21-ror-cho-viability-p1 set1 4 0.0941291 -0.18361221 1.28834563 5.06756009 -0.13860863 5.2173448 -0.94556656 0.61311965 -0.80598944 4.388174 1.09759503 1.52885669 -0.03134275 0.60844555 -0.87215739 1.21E-9 2.706E-9 6.051E-9 1.353E-8 3.0249999999E-8 6.765E-8 1.5129999999E-7 3.382E-7 7.563E-7 0.000001691 0.000003782 0.0000084559999999 0.00001891 0.00004228 0.00009454 6262-42-6 80428 144208244 Tetrachlorocyclopropene ClC1=C(Cl)C1(Cl)Cl Tox21_201046 -NCGC00090952-07 196702863 tox21-ror-cho-viability-p1 set1 4 27.7787679881 12.6041621159 -0.6041621159 12 4.9549173134 0.8226126852 0.0070603267 1.04602636 0.53175141 -3.00346843 -2.72652417 -0.22037069 -0.25488683 -2.87900973 1.00224322 0.6958733 0.90431291 -1.56960948 -2.03622407 0.71694669 11.79894882 -7.12081591 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00090874-04 196703275 tox21-ror-cho-viability-p1 set1 4 0.9806894572 -5.7845107319 1.5 -4.2845107319 3.9899729863 0.403162478 0.269916833 0.49706781 2.04696048 1.98306151 0.94697137 0.91848483 1.7215274 -0.27167421 3.36470222 4.25018416 -11.07042561 -0.56330833 -1.28086541 -0.90965939 -10.9608884 -1.32528906 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00260236-01 196703286 tox21-ror-cho-viability-p1 set1 4 4.02062433 9.38043691 3.22921756 5.68454721 2.95877903 6.39141689 7.47523106 6.91612367 2.88207711 4.1852911 0.86405929 -0.19640915 3.54565829 3.57699958 8.15682961 1.182E-9 2.6429999999E-9 5.91E-9 1.322E-8 2.955E-8 6.608E-8 1.4779999999E-7 3.304E-7 7.388E-7 0.0000016519999999 0.0000036939999999 0.0000082599999999 0.000018469999999 0.000041299999999 0.00009235 857841-32-8 23079882 144209886 FNS 1-Butyl-3-methylpyridinium trifluoromethanesulfonate Cc1ccc[n+](CCCC)c1.FC(F)(F)S([O-])(=O)=O Tox21_202688 -NCGC00260386-01 196703292 tox21-ror-cho-viability-p1 set1 4 54.98170782 -17.262530928 -1 -18.262530928 0.4 0.3078140174 0.3604338184 1.05502286 4.79142483 -9.08211326 -1.06092549 -7.07867044 1.49548478 -0.00586968 -2.62074169 -5.48228908 -2.57255288 -9.85247529 0.98671794 -14.38544244 -3.267494 -13.69627744 1.189E-9 2.658E-9 5.9439999999E-9 1.3289999999E-8 2.9719999999E-8 6.646E-8 1.486E-7 3.323E-7 7.4299999999E-7 0.0000016609999999 0.0000037149999999 0.000008307 0.000018579999999 0.00004154 0.000092879999999 51934-41-9 142891 144210038 A A Benzoicacid,4-iodo-,ethylester Ic1ccc(cc1)C(=O)OCC Tox21_202840 -NCGC00260040-01 196703295 tox21-ror-cho-viability-p1 set1 4 4.49787535 -1.64609965 -0.52734793 -1.88304633 0.25781088 -0.56232601 3.85293609 6.45391469 -0.55204076 0.24976006 2.88023639 5.55857403 4.45608602 1.86578096 7.49379657 1.158E-9 2.5899999999E-9 5.792E-9 1.2949999999E-8 2.896E-8 6.475E-8 1.448E-7 3.238E-7 7.24E-7 0.0000016189999999 0.00000362 0.0000080939999999 0.0000181 0.00004047 0.000090499999999 123-72-8 261 144209689 Fns Butyraldehyde CCCC=O Tox21_202491 -NCGC00259914-01 196703688 tox21-ror-cho-viability-p1 set1 -3 61.1927368097 -39.093010308 -0.5 -39.593010308 2.5884283767 0.9782130994 7.83E-8 -0.31358617 -0.86981544 -1.24172523 -0.44597941 0.41946544 0.0984569 -1.80977458 -0.33368101 -1.58827469 0.07122028 1.11683823 -0.87879466 -5.05727293 -9.34703946 -30.07750859 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.000041259999999 0.000092249999999 115-29-7 3224 144209563 Endosulfan ClC2=C(Cl)C3(Cl)C1COS(=O)OCC1C2(Cl)C3(Cl)Cl Tox21_202365 -NCGC00090776-02 196703694 tox21-ror-cho-viability-p1 set1 4 0.0021293515 -13.951345692 15 1.048654308 3.0654483358 0.5153257304 0.1820802328 13.07209278 6.54620602 -0.21522166 -1.14288078 3.18370076 2.02987921 -1.64172373 -3.76719407 -5.37612141 2.41559682 5.03099763 1.48356611 0.36598628 7.6415612 7.97003407 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00260342-01 196703697 tox21-ror-cho-viability-p1 set1 4 65.8090803367 -17.720062824 0 -17.720062824 4.9549173134 0.6996525586 0.0385651709 -4.36303742 1.72570018 0.16909066 -1.30830119 -5.76903324 2.29780767 0.19348303 0.02895489 0.52931543 1.67885021 4.40946274 0.22057152 0.03198075 -0.0118404 -14.76671902 1.14E-9 2.5489999999E-9 5.6989999999E-9 1.2739999999E-8 2.849E-8 6.371E-8 1.4249999999E-7 3.1859999999E-7 7.123E-7 0.0000015929999999 0.0000035619999999 0.000007964 0.000017809999999 0.00003982 0.00008904 70356-09-1 51040 144209994 A A 1-(4-tert-Butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione COc1ccc(cc1)C(=O)CC(=O)c2ccc(cc2)C(C)(C)C Tox21_202796 -NCGC00357087-01 196703703 tox21-ror-cho-viability-p1 set1 4 -0.71621884 -2.49035874 -11.99475667 1.4728176 9.36407377 -4.22490419 -5.68360905 -0.01052752 -8.39476717 -0.85385704 0.38775122 -7.99016404 2.49019609 0.97437697 -2.34458248 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 611-59-6 4687 251919916 A 1,7-Dimethylxanthine O=C1c2n(C)cnc2NC(=O)N1C Tox21_303803 -NCGC00259976-01 196721001 tox21-ror-cho-viability-p1 set3 4 -6.08380676 -2.45767522 -6.13226468 -2.96504235 -1.43440183 -0.91754288 -1.77506722 -7.17891537 -5.41416543 0.67012367 -0.97165606 0.19594463 -5.04192429 0.1259523 -4.93706934 1.1999999999E-9 2.684E-9 6.001E-9 1.3419999999E-8 3E-8 6.7089999999E-8 1.5E-7 3.355E-7 7.5009999999E-7 0.000001677 0.0000037509999999 0.000008387 0.00001875 0.00004193 0.00009376 91-64-5 323 144209625 A A Coumarin O=C1C=Cc2ccccc2O1 Tox21_202427 -NCGC00259387-01 196721409 tox21-ror-cho-viability-p1 set3 4 -7.18156102 -7.7082176 -6.94158369 -6.94162877 -6.77982489 -6.61453131 -7.64167833 -1.5452623 -4.12378389 -2.04095188 -6.32685685 -4.59941763 -4.83963865 -5.95418547 -1.9133647 1.194E-9 2.671E-9 5.972E-9 1.335E-8 2.986E-8 6.677E-8 1.493E-7 3.338E-7 7.465E-7 0.000001669 0.000003733 0.000008346 0.00001866 0.000041729999999 0.00009331 51630-58-1 3347 144209036 A A Fenvalerate Clc1ccc(cc1)C(C(C)C)C(=O)OC(C#N)c3cccc(Oc2ccccc2)c3 Tox21_201838 -NCGC00254000-01 196720602 tox21-ror-cho-viability-p1 set3 -2.1 43.6139813671 -88.878968099 -7.473619785 -96.352587884 2.2526478767 0.9225036098 0.0000875023 -15.77777052 -20.02653771 -9.56264977 -4.80338403 -9.03336805 -12.84556831 -2.52775206 -12.22578033 -2.76445452 -2.93505887 -0.02749265 -4.17022472 -11.4067965 -47.52962268 -79.4337787 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 54965-24-1 2733525 144210594 A A Tamoxifen citrate O=C(O)C(O)(CC(=O)O)CC(=O)O.CN(C)CCOc1ccc(cc1)/C(c2ccccc2)=C(/CC)c3ccccc3 Tox21_300274 -NCGC00244580-01 196721005 tox21-ror-cho-viability-p1 set3 4 -6.9570853 -5.12836172 -3.48415003 -2.5605417 -6.62426074 -5.15523267 -4.13118806 -8.24716929 -5.60252795 -1.39944988 -3.82495478 -8.97117863 -4.41175802 -4.25325803 -14.53692853 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00259197-01 196721422 tox21-ror-cho-viability-p1 set3 4 75.3962224476 -15.006485224 -1.5 -16.506485224 4.9549173134 0.4811038808 0.196601415 -0.33203402 2.83226673 -10.17149216 -5.35931022 -1.4972153 -2.95235188 -1.25790312 -1.44716364 -0.64333166 0.86717917 1.09385899 -0.64065352 0.83925682 -1.54799966 -12.92207102 1.16E-9 2.5929999999E-9 5.799E-9 1.297E-8 2.9E-8 6.4839999999E-8 1.45E-7 3.2419999999E-7 7.2489999999E-7 0.000001621 0.000003625 0.000008105 0.00001812 0.00004052 0.00009061 126-86-3 31362 144208846 A A 2,4,7,9-Tetramethyl-5-decyne-4,7-diol CC(O)(C#CC(C)(O)CC(C)C)CC(C)C Tox21_201648 -NCGC00259650-01 196721803 tox21-ror-cho-viability-p1 set3 4 0.9658990869 -9.491229604 -3.017576504 -12.508806108 1.8851180601 0.5143015929 0.1827780607 -7.18878715 -5.92053686 -4.31295354 -2.42223834 -0.84798042 -4.17900807 -5.58194043 -3.98983231 -3.26298285 -10.74554733 -17.92400509 -15.00573256 -14.11963537 -3.73493807 5.06994952 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.000091989999999 112-00-5 8152 144209299 A A Dodecyltrimethylammonium chloride [Cl-].C[N+](C)(C)CCCCCCCCCCCC Tox21_202101 -NCGC00164168-02 196721823 tox21-ror-cho-viability-p1 set3 4 -6.66869071 -6.40057238 -4.6190299 5.04840523 -6.61854113 -7.69258874 -5.46758451 -7.14555665 -5.33586356 -3.89023956 -6.95706421 -6.56207461 -4.9871966 -0.14729518 -5.17596184 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00259114-01 196721824 tox21-ror-cho-viability-p1 set3 4 0.6754467409 6.65174114 -5.65174114 1 3.5117481694 0.4384363381 0.2527812661 -9.52677395 -8.16850845 0.99555661 -3.15876133 -4.49094642 -10.12645095 -7.67990076 -4.04035944 -2.74737404 3.93100262 -0.06670959 -4.81784702 -0.60525114 7.81112883 -3.79135224 1.165E-9 2.605E-9 5.8259999999E-9 1.303E-8 2.9129999999E-8 6.514E-8 1.457E-7 3.2569999999E-7 7.2829999999E-7 0.000001628 0.000003641 0.000008142 0.00001821 0.00004071 0.00009103 58-93-5 3639 144208763 A A Hydrochlorothiazide NS(=O)(=O)c2cc1c(NCNS1(=O)=O)cc2Cl Tox21_201565 -NCGC00259478-01 196722205 tox21-ror-cho-viability-p1 set3 4 -11.69092313 -10.46622441 -1.06134052 -0.43310883 -4.2758065 -6.98035586 2.19946491 -1.45891903 -4.97454983 -4.86389645 -11.53304276 -6.59481349 -0.99954307 -0.43033396 1.48182823 1.128E-9 2.523E-9 5.641E-9 1.2609999999E-8 2.821E-8 6.307E-8 1.4099999999E-7 3.153E-7 7.0509999999E-7 0.0000015769999999 0.0000035259999999 0.000007884 0.00001763 0.00003942 0.000088139999999 78-82-0 6559 144209127 FNS 2-Methylpropanenitrile CC(C)C#N Tox21_201929 -NCGC00259084-01 196722202 tox21-ror-cho-viability-p1 set3 4 31.6062500599 12.4105858919 -6.4105858919 6 4.9549173134 0.6488768726 0.0650461387 -9.10823556 -7.08169951 -4.0118568 -0.47850935 -4.18005399 -5.61547699 -11.59215491 -5.7362992 -7.87828685 -2.31262108 -7.03453633 -11.38383426 -7.76211936 4.23370833 6.53777218 1.211E-9 2.709E-9 6.0569999999E-9 1.3539999999E-8 3.028E-8 6.772E-8 1.514E-7 3.386E-7 7.5709999999E-7 0.000001693 0.0000037849999999 0.000008464 0.00001893 0.00004232 0.00009464 756-79-6 12958 144208732 A Ac Dimethyl methylphosphonate CP(=O)(OC)OC Tox21_201534 -NCGC00259926-01 196722224 tox21-ror-cho-viability-p1 set3 4 -6.27411123 -5.56513125 -5.50612929 4.59778599 -3.63459594 -8.54750318 -3.87572818 -5.63159026 -6.24599039 -3.41118243 -8.00894007 -8.90910277 -4.27972332 -3.88691452 -9.65005276 1.188E-9 2.656E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.639E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.000003712 0.000008299 0.00001856 0.0000415 0.00009279 121-66-4 8486 144209575 A A 2-Amino-5-nitrothiazole [O-][N+](=O)c1cnc(N)s1 Tox21_202377 -NCGC00259839-01 196722226 tox21-ror-cho-viability-p1 set3 4 -3.2278043 -3.20509299 3.95287348 7.39641711 0.20314017 -2.11701235 -1.27117666 -1.61402841 0.06683933 -1.65209115 -2.89225905 -2.69443175 -5.26723652 -2.37943446 3.72873658 1.173E-9 2.622E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.329E-7 0.0000016389999999 0.000003665 0.000008195 0.00001832 0.000040969999999 0.00009162 319-85-7 727 144209488 A F beta-Hexachlorocyclohexane Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl Tox21_202290 -NCGC00164621-02 196722587 tox21-ror-cho-viability-p1 set3 4 6.00742682 -0.80179037 6.42118052 4.93498328 7.04539133 6.02362648 4.1381154 -3.50711753 -4.10424487 10.02253375 -0.64195023 4.49166415 6.30680098 11.19819515 14.82390674 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 125-60-0 71489 170466136 F Fenpiverinium bromide [Br-].NC(=O)C(CC[N+]1(C)CCCCC1)(c2ccccc2)c3ccccc3 Tox21_112240_1 -NCGC00090780-04 196722982 tox21-ror-cho-viability-p1 set3 4 4.49171634 0.74021205 0.08890254 -1.16538552 2.49888112 -2.64023471 3.43564972 -0.45438326 0.75396992 15.32550501 4.65013942 -1.10394121 -1.48387083 -1.25361298 4.84695411 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00090942-03 196722995 tox21-ror-cho-viability-p1 set3 4 -16.70150086 -13.12736914 -12.66441786 -14.66433215 -19.8667235 -37.61811985 -19.33358771 16.70527549 -9.15677885 -16.2637669 -15.53559591 -18.53237473 -27.75737157 -4.04755929 -21.4833928 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00016961-06 196722999 tox21-ror-cho-viability-p1 set3 4 6.79472387 -6.1490673 13.01371707 -4.08334085 4.83832626 6.85061308 9.21814541 14.23604977 7.02498181 10.81272237 -5.69930732 6.84470935 0.66780445 -4.30836442 -5.36167838 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 95233-18-4 74989 170464681 A Atovaquone Clc1ccc(cc1)[C@H]2CC[C@@H](CC2)C=4C(=O)c3ccccc3C(=O)C=4O Tox21_110714_1 -NCGC00253642-01 196723404 tox21-ror-cho-viability-p1 set3 2.1 13.3331902297 73.8071862898 1.186993803 74.9941800928 0.8999999999 0.943695814 0.0000160369 1.55624277 0.5381162 -0.27852994 -1.22300964 -1.54733008 0.3857451 5.41725215 1.10756693 12.16573754 0.27141618 16.79989887 21.99373564 28.97612851 37.78338773 63.01477093 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112984-60-8 124225 170466146 A C Ulifloxacin O=C(O)C=3C(=O)c1cc(F)c(cc1N2C=3SC2C)N4CCNCC4 Tox21_113769 -NCGC00247671-01 196723412 tox21-ror-cho-viability-p1 set3 4 0.0377094563 21.6420818159 -13.6420818159 8 0.5 0.5810073741 0.1108147933 -6.85247647 -16.78506818 0 -12.93949032 0 0 0 -0.48014049 5.63599991 6.98602182 7.14439195 5.61483258 5.91951503 -2.91907163 17.86721339 1.158E-9 2.5899999999E-9 5.792E-9 1.2949999999E-8 2.896E-8 6.4759999999E-8 1.448E-7 3.238E-7 7.241E-7 0.0000016189999999 0.00000362 0.000008095 0.0000181 0.000040479999999 0.00009051 29493-77-4 3058503 144206371 A A (4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine NC1=N[C@H](C)[C@@H](O1)c2ccccc2 Tox21_112818 -NCGC00260457-01 196723810 tox21-ror-cho-viability-p1 set3 4 2.42712612 -4.76538613 -6.96972033 -0.36886248 3.89660412 2.82550616 -0.65633625 5.1609251 -4.93279075 -0.15605342 -5.60397868 -1.869039 -3.19868282 -0.00664057 3.22865978 1.213E-9 2.7119999999E-9 6.064E-9 1.3559999999E-8 3.0319999999E-8 6.78E-8 1.516E-7 3.39E-7 7.58E-7 0.000001695 0.0000037899999999 0.000008475 0.00001895 0.000042369999999 0.00009475 290-37-9 9261 144210109 Ac Pyrazine c1cnccn1 Tox21_202911 -NCGC00260020-01 196723814 tox21-ror-cho-viability-p1 set3 4 -0.59897471 4.58353374 6.91730917 -7.19263709 -3.820194 13.95846352 9.23818599 -1.78986364 -3.07252409 1.9820069 5.19369095 -0.37431106 1.32765764 1.89218616 0.57178681 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.481E-7 3.311E-7 7.4029999999E-7 0.000001655 0.000003701 0.0000082769999999 0.00001851 0.00004138 0.00009253 89-86-1 1491 144209669 A A 2,4-Dihydroxybenzoic acid OC(=O)c1ccc(O)cc1O Tox21_202471 -NCGC00356983-01 196723830 tox21-ror-cho-viability-p1 set3 4 0.0544826733 5.956802112 -5.456802112 0.5 4.9549173134 0.5498265298 0.1369994734 -1.48527748 -0.68842467 -5.42665097 -11.21400176 -7.90649846 -0.37262445 -0.541294 0.42626455 -0.41831308 0.85511091 1.06750532 1.26321675 -0.92565993 -0.05738927 1.76325716 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6842-15-5 22833307 251919692 Fns 1-Propene, tetramer C\C=C\C\C=C\C/C=C/CC=C Tox21_303865 -NCGC00162385-04 196697659 tox21-ror-cho-viability-p1 set1 4 2.24473068 8.65431706 3.35331233 3.61584359 4.33319999 1.40081995 -0.63276856 6.16643839 3.20053932 1.70346629 3.59061749 3.71567645 5.99447885 0.27931833 2.95381051 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 119615-63-3 115227 170465898 Z Olprinone Cl.N#CC3=CC(c1ccc2nccn2c1)=C(C)NC3=O Tox21_111287_1 -NCGC00257231-01 196719318 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -25.6756350999 -1.5 -27.1756350999 2.5334283767 0.8990430195 0.0003419042 -3.4680053 -2.255315 1.58487828 1.40338599 0.0991638 -2.4952856 -2.69781188 -0.94209392 -2.57958071 -3.44465577 -0.82170261 -2.73734248 -2.3529913 -6.80202749 -19.31302925 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 111-30-8 3485 144213612 F Glutaraldehyde O=CCCCC=O Tox21_303295 -NCGC00257228-01 196718469 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -13.92594486 0 -13.92594486 4.9549173134 0.7372142905 0.0239969707 -1.13302049 -1.68565113 -0.55768411 -3.51799695 0.54563109 0 0.69512876 -1.44614601 0.42496895 4.16244654 1.25577501 -1.34180545 -0.9234639 -0.00595494 -11.60495405 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2078-54-8 4943 144213542 Z Z Propofol CC(C)c1cccc(C(C)C)c1O Tox21_303225 -NCGC00257294-01 196718473 tox21-ror-cho-viability-p1 set2 4 0.05380049 -3.53239015 -4.27694141 -5.49757635 0.90941812 -0.55007581 -5.06982326 1.25986878 0.8221759 -3.49044319 -4.21814758 -2.53156161 -1.54680029 0.13144558 -4.89923492 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25564-22-1 117549 144213758 B Fns 2-Pentyl-2-cyclopenten-1-one O=C1CCC=C1CCCCC Tox21_303448 -NCGC00095042-06 196724257 tox21-ror-cho-viability-p1 set3 4 81.1251834709 13.908135888 0.091864112 14 4.9549173134 0.5295570426 0.1542344454 -2.12203469 3.14611989 -1.99060753 -3.59961968 -4.09011324 0.43921845 4.67866346 -0.89115736 0.05880124 1.95303014 1.91564921 1.54341955 -1.11146523 -0.67523986 10.04532522 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00357076-01 196724258 tox21-ror-cho-viability-p1 set3 4 -7.96713704 -3.81064026 -13.25258206 -3.44996921 3.56000598 -7.20603641 1.77066352 -1.95691189 -9.75150753 -5.56296965 -4.05217244 -4.21209084 -5.01182093 -6.11938853 3.12974544 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-30-1 62325 251919949 F 2-Methylpropanoyl chloride CC(C)C(Cl)=O Tox21_303786 -NCGC00357066-01 196724263 tox21-ror-cho-viability-p1 set3 4 0.0096885416 13.6486256999 -11.1486256999 2.5 0.4 0.6825330195 0.04696209 -7.62385475 -4.50396769 -5.96921269 -6.32032444 -0.26029978 -0.06108211 -1.07300911 -1.93151263 0.88778206 -0.66271801 4.15753862 1.64252986 -2.96210039 2.69425017 4.69656261 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135-02-4 8658 251919864 A 2-Methoxybenzaldehyde COc1ccccc1C=O Tox21_303774 -NCGC00258345-01 196729724 tox21-ror-cho-viability-p1 set3 4 0.1186983 0.80117173 0.62752648 0.27835597 2.84053892 -0.77834782 2.517251 3.6264201 1.73851096 0.93531052 2.6331289 0.725858 -1.90975392 -1.28958003 -0.66594117 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 88-73-3 6945 144207989 A A 1-Chloro-2-nitrobenzene O=[N+]([O-])c1ccccc1Cl Tox21_200791 -NCGC00255344-01 196728907 tox21-ror-cho-viability-p1 set3 4 2.08179094 -0.55190307 7.1868105 -1.35926968 -8.40095296 -8.98087828 -11.39629892 0.71253417 4.48957807 -9.14888583 -10.7519776 10.7609719 -2.0359175 0.68644518 -2.06309948 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87392-12-9 11140605 144211894 A A S-Metolachlor ClCC(=O)N([C@@H](C)COC)c1c(C)cccc1CC Tox21_301577 -NCGC00257888-01 196729326 tox21-ror-cho-viability-p1 set3 4 -12.97479918 -1.99401306 -7.20072441 -5.0347651 -22.04420431 -16.66341158 2.8877121 -13.04687909 -4.80465361 0 -15.89227756 -0.64254444 -11.82063695 -2.47620496 1.41479685 1.185E-9 2.6499999999E-9 5.927E-9 1.325E-8 2.9629999999E-8 6.626E-8 1.482E-7 3.3129999999E-7 7.408E-7 0.000001657 0.000003704 0.0000082829999999 0.00001852 0.000041409999999 0.000092599999999 591-17-3 11560 144207532 AC A 3-Bromotoluene Cc1cc(Br)ccc1 Tox21_200334 -NCGC00164077-02 196729719 tox21-ror-cho-viability-p1 set3 4 0.13109007 2.47841329 0.77063143 0.39156771 0.5298329 -2.58398355 0.47430872 -0.3784662 -0.67609976 -1.80188675 0.36268396 -3.21107085 -0.43834764 1.17576847 -6.95961267 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00015675-08 196729732 tox21-ror-cho-viability-p1 set3 4 13.6854287769 7.939691172 -5.439691172 2.5 3.5117481694 0.7712588957 0.0140446558 -4.67852959 -6.59416613 -5.49313212 -4.23329519 -5.66300658 -4.20623054 -1.36519928 -7.50424395 -7.86640931 -4.85481275 -6.88842487 -5.51534093 1.6813783 2.54691906 1.70536329 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00257773-01 196729737 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -98.9016704981 -4.095452193 -102.9971226911 4.9549173134 0.9141717268 0.0001483017 -8.28121004 -6.33986161 -7.8516683 -5.36778029 -6.72934106 -5.83622983 -0.30036387 -6.74274991 -5.78387164 -0.11986138 -7.56322647 -4.48919399 -7.47137776 9.69227512 -86.26224681 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 538-71-6 10866 144207417 A A Domiphen bromide [Br-].CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 Tox21_200219 -NCGC00259107-01 196705775 tox21-ror-cho-viability-p1 set1 4 0.0240261262 14.992281544 -16.492281544 -1.5 4.9549173134 0.6488913123 0.0646875679 -21.82380378 -6.45841219 -15.81649093 -22.91023462 0.24590473 -3.40152226 -3.46785441 -5.24430874 -1.68621852 -3.83262291 -7.10159306 -0.21584456 -1.47372678 4.27215934 5.78556619 1.2849999999E-9 2.874E-9 6.425E-9 1.437E-8 3.213E-8 7.184E-8 1.606E-7 3.592E-7 8.032E-7 0.000001796 0.000004016 0.00000898 0.000020079999999 0.000044899999999 0.0001004 137-32-6 8723 144208756 A Ac 2-Methyl-1-butanol CC(CC)CO Tox21_201558 -NCGC00090987-03 196705375 tox21-ror-cho-viability-p1 set1 4 -0.05279573 2.31472222 2.23893503 -0.173755 2.54979683 -1.16637483 2.55288916 0.59656917 -1.09287797 1.95623107 4.52462599 0.4984783 -1.35657592 6.07099293 3.03806478 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00016032-11 196705376 tox21-ror-cho-viability-p1 set1 4 2.15535936 0.32070348 -1.46437226 2.42196129 1.22183661 2.07149114 1.44665495 0.21496445 -1.07243076 2.05546416 1.49211451 -0.05672849 -0.26301901 0.4442384 1.15088554 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1077-28-7 864 170465713 A alpha-Lipoic acid O=C(O)CCCCC1CCSS1 Tox21_110285_1 -NCGC00259924-01 196705769 tox21-ror-cho-viability-p1 set1 4 -5.64330196 1.91746104 1.32624374 -4.88647669 -0.25299271 -4.39334732 -5.20613457 -0.61334965 -1.26862825 3.24384812 0.21547492 1.09162744 0.11300012 -5.09113403 -0.31125562 1.193E-9 2.667E-9 5.964E-9 1.3339999999E-8 2.982E-8 6.668E-8 1.491E-7 3.3339999999E-7 7.455E-7 0.0000016669999999 0.000003728 0.000008335 0.00001864 0.00004168 0.00009319 58-55-9 2153 144209573 A A Theophylline O=C2c1ncnc1N(C)C(=O)N2C Tox21_202375 -NCGC00160378-02 196704565 tox21-ror-cho-viability-p1 set1 4 -0.00809805 -0.4970836 -4.81330691 -0.59769994 -2.13942711 -2.03876003 -2.31649243 -1.78292119 3.59293708 -2.24970805 0.50375551 0.11007777 0.31069905 2.76263563 -1.25473489 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 42879-47-0 39328 170466127 A Pranolium chloride [Cl-].CC(C)[N+](C)(C)CC(O)COc2cccc1ccccc12 Tox21_111774_1 -NCGC00166262-03 196704147 tox21-ror-cho-viability-p1 set1 -2.4 13.3331902297 -26.597101564 2 -24.597101564 1.6258976909 0.8951035442 0.0004098096 0.84650157 0.58369581 3.05826475 -0.3429437 0.03056163 9.68290361 0.39331139 3.58063367 3.40756116 2.37038236 -0.17038484 -3.40973373 -6.51005365 -13.94916361 -23.83091797 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27503-81-7 33919 170465490 A Ensulizole O=S(=O)(O)c1cc2nc(nc2cc1)c3ccccc3 Tox21_112381_1 -NCGC00025104-09 196704556 tox21-ror-cho-viability-p1 set1 4 29.8492948118 -16.983929172 0.5 -16.483929172 4.0949729863 0.6361395955 0.0729507294 2.86423049 -0.16898087 2.08001257 1.54614468 0.10431337 0.40016191 2.23844865 6.47433127 -2.91363861 1.84604975 -6.79101404 0.53300446 -1.32014421 -2.77016242 -14.15327431 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 74772-77-3 2750 170466553 A Ciglitizone CC1(CCCCC1)COc3ccc(CC2SC(=O)NC2=O)cc3 Tox21_112120_1 -NCGC00015247-07 196704560 tox21-ror-cho-viability-p1 set1 4 0.93531364 -0.72631914 -1.9341372 -1.86459133 0.76539724 -1.7498929 -2.47014323 -2.64915487 0.22043195 -2.79297953 0.26666529 -2.0010853 -1.73667079 0.73762456 -0.7137943 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6640-24-0 1355 170466760 A 1-(3-Chlorophenyl)piperazine Clc1cc(ccc1)N2CCNCC2 Tox21_110110_1 -NCGC00344525-01 196704976 tox21-ror-cho-viability-p1 set1 4 -0.37833396 2.39618052 5.03677967 1.15650921 0.10769689 1.2595189 -0.03512867 0.51090003 2.29625568 1.82334127 6.9698947 0.27410988 0.98611063 1.05071565 1.77629745 1.1799999999E-10 2.638E-10 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 60-18-4 6057 170466853 Z L-Tyrosine Oc1ccc(C[C@H](N)C(=O)O)cc1 Tox21_111594_1 -NCGC00164553-02 196704981 tox21-ror-cho-viability-p1 set1 4 26.6032120037 -9.326463832 2.5 -6.826463832 3.5117481694 0.3483981688 0.3234967158 3.73148227 1.86224516 4.17362663 -4.71745784 4.73156081 -2.99677211 4.01746185 6.3479061 5.61129258 1.67644756 2.01050117 5.93961472 1.97461112 -0.30442172 -5.68871986 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123318-82-1 119182 170465145 A Clofarabine Nc3nc(Cl)nc2c3ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F Tox21_112182_1 -NCGC00015870-27 196704983 tox21-ror-cho-viability-p1 set1 4 0.20522325 0.97595942 -3.60395237 -2.57251906 -2.18578675 -1.82394264 -3.55057483 -1.51849356 -2.2967565 1.41028986 1.1853683 1.79908992 -1.25414585 -1.91635987 1.04939381 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6151-25-3 5284452 170466817 A Quercetin O.O.Oc1ccc(cc1O)C=3Oc2cc(O)cc(O)c2C(=O)C=3O Tox21_110761_1 -NCGC00263524-01 196705387 tox21-ror-cho-viability-p1 set1 4 -1.39469478 1.44571817 -1.25590497 1.75781634 -0.17213416 -0.06587873 1.55997956 2.21873471 1.68493956 0.65778688 -0.783873 2.48513993 0.00674488 -1.0899265 0.00265879 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 188627-80-7 448812 170465043 A Eptifibatide NC(=O)[C@@H]3CSSCCC(=O)N[C@@H](CCCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2cnc1ccccc12)C(=O)N4CCC[C@H]4C(=O)N3 Tox21_112503_1 -NCGC00013109-03 196705388 tox21-ror-cho-viability-p1 set1 4 -3.11480283 -1.41633112 1.53663584 0.02185117 -4.68036187 -3.36892946 -0.88853616 -2.76265989 0.36280078 0.57073465 -0.95190794 -1.17469885 -3.3765154 -3.91281571 -3.992567 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 143-74-8 4766 170465805 B Phenol red Oc1ccc(cc1)C3(OS(=O)(=O)c2ccccc23)c4ccc(O)cc4 Tox21_110012_1 -NCGC00258982-01 196721841 tox21-ror-cho-viability-p1 set3 4 27.3337914917 8.476135968 -3.976135968 4.5 4.9549173134 0.6600940395 0.0590976407 -5.79219475 -3.86709933 -3.43836645 0.24882975 -2.37207424 -4.5907337 -5.48348599 -5.81344664 -5.67894939 0.05983307 -5.00116784 -5.63700175 -5.05795752 5.15738478 3.64759037 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.954E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3839999999E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.0000923 26761-40-0 22833326 144208629 A F Diisodecyl phthalate CC(C)(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)(C)C Tox21_201431 -NCGC00259578-01 196721444 tox21-ror-cho-viability-p1 set3 4 24.5098618187 8.4031356399 -4.9031356399 3.5 4.9549173134 0.5353722178 0.1488952896 -6.10537993 -2.84844499 1.82478377 -0.16542209 -7.26003922 -7.4192797 -6.22950664 -6.6921394 -6.2039337 -3.99858671 -6.52097844 -5.48101062 -4.13151344 4.37897211 2.55101678 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.968E-8 6.6359999999E-8 1.484E-7 3.318E-7 7.4189999999E-7 0.000001659 0.0000037099999999 0.000008295 0.00001855 0.000041479999999 0.00009274 106-25-2 643820 144209227 A A (2Z)-3,7-Dimethylocta-2,6-dien-1-ol C\C(C)=C\CCC(/C)=C\CO Tox21_202029 -NCGC00259637-01 196721446 tox21-ror-cho-viability-p1 set3 4 -6.54263649 -6.73214837 -4.32040513 0.78971871 -4.05169979 -4.22149493 -4.74856023 -6.52057361 -4.80354819 -3.43069229 -3.71546727 -5.07197814 -4.11967056 -0.1788857 1.03256861 1.188E-9 2.656E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.641E-8 1.4849999999E-7 3.321E-7 7.425E-7 0.0000016599999999 0.000003712 0.0000083009999999 0.00001856 0.000041509999999 0.00009281 124-09-4 16402 144209286 A F 1,6-Hexanediamine NCCCCCCN Tox21_202088 -NCGC00258805-01 196721832 tox21-ror-cho-viability-p1 set3 4 0.9199928593 6.4197357039 -7.4197357039 -1 1.4641 0.484470761 0.1936210818 -7.04823127 -3.4548118 -5.80969431 -3.50670019 -8.60417402 -14.51644642 -10.6090131 -3.6036401 -5.22785411 -0.57896462 -4.03414771 -3.24365278 -0.15059 -0.11158222 0.0524024 1.244E-9 2.782E-9 6.221E-9 1.391E-8 3.111E-8 6.956E-8 1.5549999999E-7 3.478E-7 7.7769999999E-7 0.000001739 0.000003888 0.000008694 0.00001944 0.000043469999999 0.000097209999999 3068-88-0 18303 144208451 D beta-Butyrolactone O=C1CC(C)O1 Tox21_201253 -NCGC00259949-01 196722227 tox21-ror-cho-viability-p1 set3 4 -3.87006806 -5.41615113 -3.90536218 4.15462541 -3.20017185 -5.15759748 -5.62449423 -4.67660078 -6.78890841 -5.08939719 -6.73699232 -4.29980388 -3.99391054 -0.33546975 -9.07062132 1.204E-9 2.693E-9 6.021E-9 1.346E-8 3.011E-8 6.732E-8 1.5049999999E-7 3.366E-7 7.526E-7 0.000001683 0.000003763 0.0000084149999999 0.00001882 0.000042069999999 0.00009408 83-32-9 6734 144209598 A A Acenaphthene c1cc2cccc3CCc(c1)c23 Tox21_202400 -NCGC00025295-02 196723058 tox21-ror-cho-viability-p1 set3 4 0.26603212 20.428609676 -10.928609676 9.5 1.692447691 0.6477818786 0.0652490806 -7.58682577 -12.03305583 -4.52802606 -8.78623328 -15.31160717 -15.35717473 -12.03055167 2.45400687 -4.78625685 17.43809475 -6.16495705 13.82777002 15.5591099 14.19785449 2.75944959 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 99617-34-2 9928181 170466418 A Zacopride hydrochloride Cl.Clc1cc(c(OC)cc1N)C(=O)NC3CN2CCC3CC2 Tox21_110959_1 -NCGC00159372-04 196723061 tox21-ror-cho-viability-p1 set3 2.4 42.1632496022 27 3 30 0.8999999999 0.7532462295 0.0186273077 1.04573956 4.30480068 3.07302929 0.22697248 4.80449919 2.94564854 2.49166588 0.07415632 6.01394975 6.13423144 5.63893718 6.67549627 4.65245265 8.65847248 22.80304681 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 110-15-6 1110 170465738 Z Butanedioic acid O=C(O)CCC(=O)O Tox21_111612_1 -NCGC00094908-06 196723065 tox21-ror-cho-viability-p1 set3 4 6.89550386 3.70818765 8.33066032 6.17197538 1.43544551 1.73324024 -0.34056729 6.35312483 -0.70683392 0.03277386 2.57800432 3.70554329 2.13285772 4.4810666 13.13788518 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-47-2 4059 170466586 Ac Mephenesin OCC(O)COc1ccccc1C Tox21_111356_1 -NCGC00016564-06 196723076 tox21-ror-cho-viability-p1 set3 2.4 29.8492948118 25.537630696 1.462369304 27 2.5334283767 0.8453052625 0.0026109561 -1.23034386 2.49633036 3.43601004 2.49653563 2.17148362 0.40202869 0.93975468 -1.69802558 -1.37428308 4.0961644 6.03031649 0.27415972 4.34551101 7.51171393 20.92064568 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1115-70-4 14219 170464804 Z Metformin Cl.N=C(N)NC(=N)N(C)C Tox21_110498_1 -NCGC00253568-01 196723483 tox21-ror-cho-viability-p1 set3 4 2.9849294812 -9.3341482 3.5 -5.8341482 4.9549173134 0.3483732316 0.321299499 8.03540289 3.84607827 1.43781451 2.28845694 -4.62248137 -6.03941349 12.25919318 4.84350532 -0.81217859 9.80984484 11.10132242 -10.6951235 -1.39443821 -8.2198397 -3.32025736 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 557-09-5 11180 170466899 Z Ac Zinc octanoate [Zn+2].CCCCCCCC([O-])=O.[O-]C(=O)CCCCCCC Tox21_113995 -NCGC00259449-01 196721871 tox21-ror-cho-viability-p1 set3 4 13.7968432063 12.0206801519 -4.5206801519 7.5 2.2526478767 0.5689509646 0.1205472192 -8.76723346 -5.14800793 1.82500599 -5.05472279 -5.00960436 -7.83470303 -2.83437351 -7.63775669 -6.01806215 4.86200472 -7.49191525 -1.46201676 3.02794177 8.29689037 5.72373778 1.188E-9 2.656E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.639E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.0000037109999999 0.000008299 0.00001856 0.00004149 0.00009278 124-22-1 13583 144209098 A Ac 1-Dodecanamine CCCCCCCCCCCCN Tox21_201900 -NCGC00258815-01 196721860 tox21-ror-cho-viability-p1 set3 4 -0.77653253 -7.42542383 -4.29822674 4.00733019 -4.76944166 -1.1557202 0.52986974 -5.91068216 -13.08879816 1.82292649 -6.15152226 -4.39592461 -0.33389722 -2.68749955 -2.83554841 1.193E-9 2.667E-9 5.964E-9 1.3339999999E-8 2.982E-8 6.668E-8 1.491E-7 3.3339999999E-7 7.455E-7 0.0000016669999999 0.000003728 0.000008335 0.00001864 0.00004168 0.00009319 80-33-1 6635 144208461 A A Chlorfenson Clc1ccc(cc1)S(=O)(=O)Oc2ccc(Cl)cc2 Tox21_201263 -NCGC00259665-01 196721865 tox21-ror-cho-viability-p1 set3 4 13.15045745 12.08882732 19.35037557 22.85705529 13.55360447 16.15944338 12.73300951 13.00094266 14.41171303 9.41243004 12.03149859 16.33470641 13.41498442 15.25002685 11.61203363 1.194E-9 2.671E-9 5.9709999999E-9 1.335E-8 2.986E-8 6.676E-8 1.493E-7 3.338E-7 7.464E-7 0.000001669 0.000003732 0.000008345 0.00001866 0.000041729999999 0.000093299999999 132-64-9 568 144209314 A A Dibenzofuran c1cccc2oc3ccccc3c12 Tox21_202116 -NCGC00259811-01 196721383 tox21-ror-cho-viability-p1 set3 1.4 0.0048508357 19.624760008 -16.124760008 3.5 0.5999999999 0.7029214977 0.0369553599 -11.77063334 -9.02899867 -1.06293359 -7.91992707 2.02342853 -1.00791826 3.42829545 -1.4513713 -0.70727504 5.79376752 0.40685565 4.31212138 4.56760349 0.7666619 7.71632703 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 96-24-2 7290 144209460 A Ac 3-Chloro-1,2-propanediol OCC(O)CCl Tox21_202262 -NCGC00254790-01 196720161 tox21-ror-cho-viability-p1 set3 4 0.0054427272 7.69537374 -2.69537374 5 4.9549173134 0.3437855534 0.3425096882 -0.3213111 -5.16281145 1.73085237 9.93648485 1.72799929 5.19588092 9.72132236 6.0644842 -0.57084451 6.01508109 -1.75578556 10.68170176 4.03784612 2.29111167 -0.42841151 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 43121-43-3 39385 144211203 A A Triadimefon CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_300886 -NCGC00259141-01 196721379 tox21-ror-cho-viability-p1 set3 -2.1 60.13725165 -94.8181727336 -5.801110246 -100.6192829796 2.4063783767 0.9497284103 0.0000086563 -10.58154239 -3.99747175 -2.24400818 1.5446873 -11.88906658 -7.81882023 -13.17297501 -6.753585 -4.94256715 1.78437293 -3.23455165 -4.73283489 -13.53315333 -32.59998721 -76.22672953 1.164E-9 2.602E-9 5.818E-9 1.301E-8 2.909E-8 6.5049999999E-8 1.4549999999E-7 3.252E-7 7.2729999999E-7 0.0000016259999999 0.000003636 0.000008131 0.00001818 0.000040659999999 0.00009091 143-50-0 299 144208790 A F Kepone O=C2C1(Cl)C3(Cl)C5(Cl)C1(Cl)C4(Cl)C2(Cl)C3(Cl)C4(Cl)C5(Cl)Cl Tox21_201592 -NCGC00259350-01 196721392 tox21-ror-cho-viability-p1 set3 -2.4 77.6637265632 -24.11697874 -3.803163652 -27.920142392 4.9549173134 0.8716467155 0.0011016171 -3.8168117 -5.6889661 -1.65664157 -1.08596971 -2.68765878 -5.36250145 -3.6009562 -3.88649129 -5.9177547 -3.37099283 -3.02817001 -6.48690506 -6.40196872 -3.02900148 -21.60011866 1.189E-9 2.66E-9 5.9469999999E-9 1.3299999999E-8 2.973E-8 6.649E-8 1.487E-7 3.3239999999E-7 7.4339999999E-7 0.000001662 0.0000037169999999 0.0000083109999999 0.000018579999999 0.00004156 0.00009292 1724-39-6 15595 144208999 A A Cyclododecanol OC1CCCCCCCCCCC1 Tox21_201801 -NCGC00259310-01 196721397 tox21-ror-cho-viability-p1 set3 4 57.9916351471 12.2745883559 -4.2745883559 8 3.6272481694 0.6441825821 0.0685947158 -7.72882363 -4.31412567 -5.03149701 0.65373998 -6.89373636 -4.43491081 -5.99076664 -3.21666891 -4.41385214 -0.8891951 -4.63113871 -3.78666249 -3.96600979 -1.1658046 6.27654236 1.243E-9 2.7789999999E-9 6.2129999999E-9 1.3889999999E-8 3.107E-8 6.9459999999E-8 1.553E-7 3.473E-7 7.7659999999E-7 0.000001737 0.000003883 0.000008683 0.00001942 0.000043409999999 0.00009708 51-79-6 5641 144208959 A A Urethane NC(=O)OCC Tox21_201761 -NCGC00259029-01 196721777 tox21-ror-cho-viability-p1 set3 4 -10.88407041 -4.86706725 -2.88201654 -6.92940225 0.31127684 -6.50730404 -3.87308168 -1.26500669 -3.25526854 -1.60379066 -5.44267102 -5.2927478 -5.52417509 -6.36602456 -8.06658163 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.309E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008272 0.0000185 0.00004136 0.00009248 91-22-5 7047 144208676 A Ac Quinoline c1cccc2cccnc12 Tox21_201478 -NCGC00258897-01 196721779 tox21-ror-cho-viability-p1 set3 4 0.0053321226 13.2385766359 -13.7385766359 -0.5 4.9549173134 0.8854423868 0.0006374585 -12.77626505 -14.36548053 -6.06553119 0.22169075 -3.17310837 -3.12403041 -1.36349894 -1.81965716 -0.68403396 -1.39864936 -0.97622327 -0.79696268 1.38147566 1.2612558 2.90907706 1.159E-9 2.592E-9 5.795E-9 1.2959999999E-8 2.8969999999E-8 6.479E-8 1.449E-7 3.239E-7 7.244E-7 0.00000162 0.000003622 0.000008098 0.000018109999999 0.00004049 0.00009054 1459-93-4 15088 144208543 A A Dimethyl isophthalate COC(=O)c1cccc(c1)C(=O)OC Tox21_201345 -NCGC00259426-01 196721787 tox21-ror-cho-viability-p1 set3 4 -11.23225272 -1.28951974 -3.12979859 -1.4954702 -0.80527577 -7.43079869 -4.3289213 -3.62526616 -6.98238988 -7.8917117 -7.5685349 -8.98217375 -5.93847687 1.90636035 -15.33192663 1.166E-9 2.6069999999E-9 5.829E-9 1.303E-8 2.9149999999E-8 6.517E-8 1.457E-7 3.259E-7 7.286E-7 0.000001629 0.0000036429999999 0.000008146 0.00001822 0.00004073 0.000091079999999 19666-30-9 29732 144209075 A A Oxadiazon O=C2OC(=NN2c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C Tox21_201877 -NCGC00258888-01 196721792 tox21-ror-cho-viability-p1 set3 4 0.14779773 -15.7797293 -1.31614121 -2.66377005 -5.21456629 -9.22495751 -1.32246125 -0.82699818 -3.62824404 3.26885201 -0.7689644 -1.41677695 1.2571825 -0.15675163 -6.74625951 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.938E-8 6.568E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.000041049999999 0.0000918 91-53-2 3293 144208534 A A Ethoxyquin CCOc1ccc2NC(C)(C)C=C(C)c2c1 Tox21_201336 -NCGC00254206-01 196720595 tox21-ror-cho-viability-p1 set3 4 -2.56953312 0.23999926 5.16838212 9.57226266 7.41816457 2.8570994 3.36821207 5.6906918 15.36574806 16.98458483 -0.84380648 -4.09132917 7.37419728 0.76716187 -5.44206867 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4418-26-2 23675081 144210395 A A Sodium dehydroacetate [Na+].C/C([O-])=C1/C(=O)C=C(C)OC1=O Tox21_300075 -NCGC00255065-01 196720190 tox21-ror-cho-viability-p1 set3 4 27.3060203028 -14.5290769279 6 -8.5290769279 0.6999999999 0.3949988511 0.277115918 11.05741022 -2.22025159 7.39767907 13.3268937 5.98701346 6.44505587 -1.74800686 3.58562603 5.06716274 8.98696057 2.63521232 -1.89358397 1.76609225 -1.2783003 -5.44089744 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-40-7 8049 144211484 A A Diethyl decanedioate O=C(CCCCCCCCC(=O)OCC)OCC Tox21_301167 -NCGC00254585-01 196720191 tox21-ror-cho-viability-p1 set3 -2.1 15.3553036427 -90.513784097 -10.047186391 -100.560970488 2.2526478767 0.8654810545 0.0035259096 -18.49286773 -20.17770278 -14.14475338 -7.34371792 -15.41342754 -12.26316952 -6.85261561 -4.57019033 -8.1503367 -6.65624693 -4.48084641 -20.16279527 -76.1825534 -52.63807178 7.21120227 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-96-5 7626 144210994 A A beta-Nitrostyrene [O-][N+](=O)C=Cc1ccccc1 Tox21_300677 -NCGC00255680-01 196728553 tox21-ror-cho-viability-p1 set3 4 27.3060203028 17.016372036 -3.016372036 14 4.9549173134 0.4529587534 0.221252688 3.20908801 -3.94991083 -2.36725193 3.53136999 -0.16188976 -0.5324633 1.6853898 -8.52983272 7.43161447 -14.18031003 -10.22263299 -7.69107627 -4.70574716 17.95651381 9.31968137 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 867-13-0 13345 144212370 A Triethyl phosphonoacetate O=P(CC(=O)OCC)(OCC)OCC Tox21_302053 -NCGC00255804-01 196728154 tox21-ror-cho-viability-p1 set3 -2.4 68.5896218971 -31.657912116 2 -29.657912116 4.9549173134 0.876298634 0.0009167504 4.5370423 -1.59195723 0.19019831 -0.35652546 0.98223687 0.39400488 3.79900275 3.94529297 1.1980293 2.20026659 8.0396519 -0.05408645 -0.41866079 0.25573363 -23.88159343 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5810-11-7 93011 144212301 A A 2-Chloro-N,N-dimethyl-3-oxobutanamide O=C(C)C(Cl)C(=O)N(C)C Tox21_301984 -NCGC00255480-01 196728156 tox21-ror-cho-viability-p1 set3 4 0 -2.96858187 1.40232899 -1.59861836 3.28022735 3.17522305 1.77749516 2.26885155 4.08508573 -1.94072938 0.74565299 -4.79793426 -3.82241356 0.344951 3.77183119 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2996-92-1 18137 144211628 F F Trimethoxyphenylsilane CO[Si](OC)(OC)c1ccccc1 Tox21_301311 -NCGC00255627-01 196728158 tox21-ror-cho-viability-p1 set3 4 -5.39239151 -1.13846018 -1.00479388 -1.23022467 -1.84603315 -1.9378447 3.1597679 -5.05825356 -2.83764903 -3.19954888 -3.02659659 -1.30748531 -1.77198337 0.23717398 -0.00384001 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1610-17-9 15359 144212131 A A Atraton COc1nc(NCC)nc(NC(C)C)n1 Tox21_301814 -NCGC00255194-01 196728558 tox21-ror-cho-viability-p1 set3 4 0.0015355304 11.42659582 -10.92659582 0.5 2.9522712143 0.3508617556 0.32166791 -7.43882985 -1.05841291 -0.42326572 -2.33959434 0.28879754 0.65855924 5.47335758 0.24840071 3.52956007 -3.70012671 -0.39723022 -4.36417715 -0.37347869 5.27109918 2.37854111 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-14-7 5976 144212675 1,1-Dimethylhydrazine CN(C)N Tox21_302358 -NCGC00255625-01 196728569 tox21-ror-cho-viability-p1 set3 4 9.6885416101 11.222321688 -2.222321688 9 4.4494702849 0.4635847327 0.2288581253 -0.97385482 -8.10193474 -3.28025165 -1.64296544 1.23936835 -4.11724814 5.75233349 -7.60356037 -7.12652103 4.13109098 -5.18985069 1.44151868 11.77298068 5.59164127 1.01700541 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2050-99-9 62421 144212549 A F 2,8-Dimethylnonan-5-one CC(C)CCC(=O)CCC(C)C Tox21_302232 -NCGC00259095-01 196706248 tox21-ror-cho-viability-p1 set1 4 19.1740181484 -15.617224816 -0.5 -16.117224816 1.8851180601 0.4892642527 0.1880198879 -5.67088203 15.65680858 -1.77650496 0.22166848 -5.80559714 -2.06730042 -0.14554386 -3.36068399 -3.73911185 0 -0.25066348 -4.84558617 -6.02416635 -14.56495569 -14.68102068 1.172E-9 2.621E-9 5.8609999999E-9 1.311E-8 2.931E-8 6.553E-8 1.465E-7 3.277E-7 7.327E-7 0.0000016379999999 0.0000036629999999 0.000008192 0.00001832 0.00004096 0.00009159 95-95-4 7271 144208743 A A 2,4,5-Trichlorophenol Oc1cc(Cl)c(Cl)cc1Cl Tox21_201545 -NCGC00257349-01 196707050 tox21-ror-cho-viability-p1 set1 4 -2.70688535 5.08650943 0.40665746 0 1.82650155 0.57198327 0.64111704 7.09152457 -5.42033462 0.22515853 -7.66092255 6.46171433 0.93498899 1.08909425 3.5262472 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 638-38-0 12525 144213723 Fns Manganese(II) acetate [Mn+2].[O-]C(C)=O.[O-]C(C)=O Tox21_303412 -NCGC00256868-01 196707055 tox21-ror-cho-viability-p1 set1 4 -0.08620919 3.66010536 2.26116232 2.64487584 -7.34957327 1.07049459 5.43656407 -0.00014819 4.87194289 3.45120738 -2.25883575 8.31653826 0.07345295 1.91041983 1.73607098 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-80-8 8137 144212763 A F Methyl 2-nonynoate O=C(C#CCCCCCC)OC Tox21_302446 -NCGC00257122-01 196707057 tox21-ror-cho-viability-p1 set1 -3 61.130564862 -47.9563362446 1.8038646039 -46.1524716407 3.6272481694 0.9716125911 3.555E-7 1.97133679 1.21018119 0.09536535 1.37956252 1.46980876 -1.25182753 2.87484589 2.72433753 2.26165039 0.86696988 0.89783881 6.68598698 2.41203032 -7.86809922 -37.23672094 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1067-53-4 14025 144213416 F F Tris(2-methoxyethoxy)vinylsilane COCCO[Si](OCCOC)(C=C)OCCOC Tox21_303099 -NCGC00258901-01 196705843 tox21-ror-cho-viability-p1 set1 4 -9.47854417 0.92402184 -4.73125387 -14.52759203 -3.42519809 -4.73819063 -5.2091404 0.84886802 -6.02772087 0 -0.851279 -3.10286501 -4.01005913 -9.56961234 -9.68499759 1.1919999999E-9 2.6649999999E-9 5.96E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.332E-7 7.45E-7 0.0000016659999999 0.000003725 0.000008329 0.00001862 0.000041649999999 0.00009312 13048-33-4 25644 144208547 A A 1,6-Hexanediol diacrylate C=CC(=O)OCCCCCCOC(=O)C=C Tox21_201349 -NCGC00259361-01 196706237 tox21-ror-cho-viability-p1 set1 4 -0.10609732 1.71348493 3.57413098 -13.5907877 -0.79494265 2.85987331 -1.00741077 2.9186618 0.99518742 0.48549661 1.72594768 2.4425247 1.93231683 3.00836874 3.2036937 1.144E-9 2.5569999999E-9 5.7179999999E-9 1.278E-8 2.859E-8 6.392E-8 1.429E-7 3.196E-7 7.147E-7 0.000001598 0.000003573 0.00000799 0.00001787 0.00003995 0.00008934 57-55-6 1030 144209010 A A 1,2-Propylene glycol CC(O)CO Tox21_201812 -NCGC00258869-01 196706239 tox21-ror-cho-viability-p1 set1 4 -14.82227167 -5.26303552 -15.17585776 -10.54873611 -10.63882562 -8.45512707 -7.02394878 -9.10150312 -1.12727893 -0.59597976 -0.39104465 -9.97672752 -13.03084752 -6.13729988 -10.74611305 1.233E-9 2.7579999999E-9 6.1669999999E-9 1.379E-8 3.083E-8 6.8949999999E-8 1.542E-7 3.447E-7 7.708E-7 0.000001724 0.000003854 0.000008618 0.00001927 0.00004309 0.000096349999999 112-56-1 8196 144208515 A A 2-(2-Butoxyethoxy)ethyl thiocyanate N#CSCCOCCOCCCC Tox21_201317 -NCGC00258967-01 196706250 tox21-ror-cho-viability-p1 set1 4 0.0093243114 -5.328625944 4.5 -0.828625944 4.9549173134 0.4058170454 0.2859767216 3.61489391 4.25114925 5.30379996 -2.01816665 0.38403132 1.75448582 0.38776017 0.63905205 -2.44811319 0 0.25653676 -8.19052162 1.73833664 0.18814362 5.90629385 1.258E-9 2.812E-9 6.288E-9 1.4059999999E-8 3.144E-8 7.03E-8 1.572E-7 3.5149999999E-7 7.86E-7 0.000001758 0.00000393 0.000008788 0.000019649999999 0.000043939999999 0.000098249999999 1124-64-7 2734171 144208614 Z Z N-Butylpyridinium chloride [Cl-].CCCC[n+]1ccccc1 Tox21_201416 -NCGC00091643-08 196706259 tox21-ror-cho-viability-p1 set1 4 -9.70972155 -2.72450687 -6.49226348 -12.4312368 -2.79202368 -4.77014676 2.95639481 -8.97977718 -3.53209544 -0.53112615 -7.34658082 -11.39197971 -9.62078262 -18.0071367 -19.58077303 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00259211-01 196706260 tox21-ror-cho-viability-p1 set1 4 -5.18742808 -2.99946182 0.24638173 -0.62158858 -1.1292248 -2.64685694 2.21783202 -2.73859654 4.85518958 -1.39812617 -4.68231868 1.74427815 0.48932473 3.48673199 -9.22104691 1.195E-9 2.6729999999E-9 5.9769999999E-9 1.336E-8 2.988E-8 6.682E-8 1.494E-7 3.341E-7 7.4709999999E-7 0.000001671 0.000003735 0.000008353 0.000018679999999 0.000041759999999 0.00009339 131-16-8 8559 144208860 A A Dipropyl phthalate O=C(OCCC)c1ccccc1C(=O)OCCC Tox21_201662 -NCGC00258927-01 196706653 tox21-ror-cho-viability-p1 set1 4 5.58644955 4.26119477 2.29638914 0.14082467 1.03107656 0.75151964 -0.38066012 2.8427788 4.13758433 4.22206699 2.16010655 3.75268513 0.81569681 1.60079969 2.12363646 1.123E-9 2.51E-9 5.6129999999E-9 1.255E-8 2.806E-8 6.275E-8 1.403E-7 3.138E-7 7.016E-7 0.000001569 0.0000035079999999 0.000007844 0.000017539999999 0.000039219999999 0.0000877 51218-45-2 4169 144208574 A A Metolachlor ClCC(=O)N(C(C)COC)c1c(C)cccc1CC Tox21_201376 -NCGC00258902-01 196706654 tox21-ror-cho-viability-p1 set1 -1.1 4.8409629131 -71.3825172881 -1.699845869 -73.0823631571 0.7999999999 0.9439346865 0.0000156646 -5.1070866 -2.89234022 -2.7863054 -0.95704622 1.29817047 -4.23240207 -4.88588667 -3.02878135 -27.7509054 -10.30984071 -39.01180151 -47.82575021 -53.70661944 -56.5678133 -70.70028822 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.000091989999999 70-30-4 3598 144208548 A A Hexachlorophene Clc2c(Cc1c(O)c(Cl)cc(Cl)c1Cl)c(O)c(Cl)cc2Cl Tox21_201350 -NCGC00259456-01 196706661 tox21-ror-cho-viability-p1 set1 4 20.9640941521 7.522022 -6.022022 1.5 4.9549173134 0.466778468 0.2103467647 -9.33316567 -5.39314309 -3.91443157 -8.39313432 -4.27374306 -1.48992333 -3.38957503 -9.21896395 -3.27549034 -8.57740255 -10.851685 -3.52293679 -3.63385958 2.14584181 0.53608985 1.1469999999E-9 2.564E-9 5.734E-9 1.282E-8 2.867E-8 6.411E-8 1.434E-7 3.205E-7 7.168E-7 0.000001603 0.000003584 0.0000080139999999 0.00001792 0.00004007 0.00008959 120-71-8 8445 144209105 A A 2-Methoxy-5-methylaniline Nc1cc(C)ccc1OC Tox21_201907 -NCGC00164612-02 196698152 tox21-ror-cho-viability-p1 set1 4 0.88781164 2.25339071 0.18277832 1.29288528 1.52808575 0.94216803 2.27554786 -0.12224167 -0.2042639 -2.26350011 -6.38253021 -3.18963865 0.50373184 -5.26938322 2.91505024 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 479-92-5 3778 170465821 A Propyphenazone CC(C)C=2C(=O)N(c1ccccc1)N(C)C=2C Tox21_112233_1 -NCGC00024894-08 196697758 tox21-ror-cho-viability-p1 set1 4 0.15616912 -6.96074402 -8.52109449 -6.35744012 -6.48574688 -3.27111241 -3.87492546 -2.95199218 -4.63576643 -3.12139264 -0.39991022 -5.89564542 -5.76146819 -10.27522566 -0.4779861 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 37762-06-4 5722 170466446 A Zaprinast CCCOc3ccccc3C2=Nc1nnnc1C(=O)N2 Tox21_110306_1 -NCGC00021124-05 196698155 tox21-ror-cho-viability-p1 set1 4 0.43528764 -1.36098434 -3.99926279 1.04594537 -2.40717771 -2.94283863 0.12648724 1.79393897 2.56691231 0.58027262 -0.20294449 3.88047393 1.91096982 0.44506945 0.02853045 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14007-64-8 27368 170466569 A Butetamate CCC(C(=O)OCCN(CC)CC)c1ccccc1 Tox21_110860_1 -NCGC00262950-01 196723522 tox21-ror-cho-viability-p1 set3 4 0.2984929481 -7.0166593959 0.5 -6.5166593959 4.9549173134 0.4892640067 0.1886422341 2.50240849 0.48565335 -1.13348767 -0.43565328 -0.11666668 1.44603487 1.07037975 0.95875944 -4.46128658 -6.98580006 -3.54709896 -17.51388283 -1.82987123 -2.0153346 -6.81419417 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 86487-64-1 68604 170466108 A A Setoperone Fc1ccc(cc1)C(=O)C2CCN(CC2)CCC4=C(C)N=C3SCCN3C4=O Tox21_113942 -NCGC00166055-03 196723503 tox21-ror-cho-viability-p1 set3 4 22.3340842 8.0934486 14.05020071 26.90438504 0 18.28981258 24.14017086 11.04056665 5.06480587 13.4951077 12.49100005 10.25278611 10.41201138 13.36022718 18.50786104 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13755-38-9 11953895 170464889 F Sodium nitroprusside dihydrate [Na+].[Na+].O.O.N#C[Fe-2](C#N)(C#N)(N=O)(C#N)C#N Tox21_110314_1 -NCGC00164489-04 196723506 tox21-ror-cho-viability-p1 set3 4 1.09698592 0.15785304 -1.46835015 -2.8792832 -1.80742885 -2.43632705 -1.27787934 -0.07021961 -4.84511031 -4.704531 -0.48364873 -5.69083129 -8.86079795 -6.72653465 9.95608649 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 490-55-1 10275 170466084 A Amiphenazole Nc2nc(N)sc2c1ccccc1 Tox21_112128_1 -NCGC00016490-12 196723519 tox21-ror-cho-viability-p1 set3 4 1.00053466 0.59989544 1.84959274 3.31292943 2.58013404 -0.90101397 2.71476145 1.88839605 7.4607436 7.13156139 4.51602181 1.82262024 -0.71832342 0.48657212 1.40184084 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 530-78-9 3371 170465857 A Flufenamic acid FC(F)(F)c1cc(ccc1)Nc2ccccc2C(=O)O Tox21_110452_1 -NCGC00253742-01 196723523 tox21-ror-cho-viability-p1 set3 4 23.7101376556 22.1708993759 -2.1708993759 20 1.8079476909 0.5259052798 0.1557633935 -1.09916194 -4.77415964 -0.51820308 -0.29612422 -3.18813109 -3.2462929 1.18705213 -0.64416226 4.30398876 0.10084624 -15.97574948 -1.37789933 4.5446816 5.80776 15.09752149 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 548-00-5 54685524 170466152 F A Ethyl biscoumacetate OC=1c4ccccc4OC(=O)C=1C(C2=C(O)c3ccccc3OC2=O)C(=O)OCC Tox21_113859 -NCGC00357228-01 196723923 tox21-ror-cho-viability-p1 set3 4 -3.8519303 -3.59289761 -0.87302092 1.58541641 -0.86129639 1.03503805 2.52205504 4.68745281 1.36242295 3.4603297 3.27662375 3.48067071 0.60996793 0.80625763 4.45675747 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-67-8 66679 251919970 B N,N-Diethyl-m-toluidine CCN(CC)c1cc(C)ccc1 Tox21_304015 -NCGC00260017-01 196723924 tox21-ror-cho-viability-p1 set3 4 0.0005364237 12.108057148 -8.608057148 3.5 0.3 0.3949112324 0.2803978141 -5.50671429 1.86499321 -2.03439695 0.76842244 2.96614456 -1.9015542 -1.89737483 3.83615734 1.55737365 1.34861561 4.82333361 2.78792815 4.51339213 -0.44583616 4.53943857 5.9509999999E-10 1.3309999999E-9 2.975E-9 6.653E-9 1.488E-8 3.3259999999E-8 7.438E-8 1.663E-7 3.719E-7 8.316E-7 0.00000186 0.000004158 0.000009298 0.00002079 0.00004649 130-17-6 174223 144209666 A A 2-(4-Aminophenyl)-6-methylbenzothiazole sulfonic acid O=S(=O)(O)c1c(C)ccc2nc(sc12)c3ccc(N)cc3 Tox21_202468 -NCGC00357197-01 196723934 tox21-ror-cho-viability-p1 set3 4 0.0216899429 5.649349808 -4.149349808 1.5 4.9549173134 0.4944318756 0.1851725883 -6.79112484 -3.14433863 -2.69222296 -4.37611853 0.97075507 -0.01115864 1.99223723 4.15950463 2.59009573 3.69660924 4.64653756 -4.7621934 0.17699742 -2.15121028 3.15557007 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-69-1 5311110 251919779 F D-Ribose O[C@@H](C=O)[C@H](O)[C@H](O)CO Tox21_303971 -NCGC00260293-01 196723939 tox21-ror-cho-viability-p1 set3 4 1.7193898098 4.9299948439 -0.4299948439 4.5 1.0999999999 0.4815354525 0.1984322005 -1.6383494 0.62927588 -1.46592383 -2.44166237 2.13834142 1.40584682 0.46614246 -1.13612256 1.04734721 2.65740877 2.27916377 2.00149006 9.50316131 1.44100479 3.99683744 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 526-95-4 10690 144209943 Bc F D-Gluconic acid O[C@H]([C@@H](O)C(=O)O)[C@H](O)[C@H](O)CO Tox21_202745 -NCGC00023648-04 196697764 tox21-ror-cho-viability-p1 set1 4 0.2717938 -0.25115259 -0.79226823 2.01080999 0.09066613 0.05020301 0.47238681 -0.15244844 0.18175529 -0.50115604 2.1069615 1.66474436 -0.9412846 0.26736653 -0.37546418 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 382-67-2 5311067 170464795 A Desoximetasone OCC(=O)[C@H]4[C@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_110889_1 -NCGC00356966-01 196723847 tox21-ror-cho-viability-p1 set3 4 5.4482673282 7.8613472479 -0.8613472479 7 4.9549173134 0.5157125552 0.1819302275 3.85908752 -1.73872837 2.93040705 -4.88445604 2.3522559 -4.70905557 -4.73926297 2.71014172 1.26208208 -4.28522422 -0.85803045 7.82878978 7.7610756 5.40740582 -1.64953818 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135-98-8 8680 251919668 Ac sec-Butylbenzene CCC(C)c1ccccc1 Tox21_303828 -NCGC00179366-03 196723438 tox21-ror-cho-viability-p1 set3 2.1 26.6032120037 85.5579719423 0.182199122 85.7401710643 1.713743691 0.9727208925 2.826E-7 0.24212917 -1.14820152 -0.18267277 -1.49274662 -0.61658551 -2.09138264 -0.97922426 -2.16467795 3.26770733 5.70173348 1.17959069 3.22378462 17.67928146 28.54131067 65.03719543 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 73231-34-2 114811 170465648 A Florfenicol O=S(C)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CF)NC(=O)C(Cl)Cl Tox21_110683_1 -NCGC00160611-03 196723439 tox21-ror-cho-viability-p1 set3 2.2 26.6032120037 33.819532712 3.680467288 37.5 2.7202212143 0.6877456689 0.0437462062 12.04876202 0.5021166 1.75805834 1.06772365 0 2.46373705 -1.13013692 0.46079952 7.20593709 8.2502623 14.04690284 -5.26627726 5.56312485 14.91493438 31.42159276 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2687-91-4 17595 170465488 A 1-Ethyl-2-pyrrolidinone O=C1CCCN1CC Tox21_111935_1 -NCGC00260638-01 196723845 tox21-ror-cho-viability-p1 set3 4 4.8067719 -6.05524977 2.54426182 -0.09824748 -5.58071472 -9.01246405 -1.54579696 0.35530382 -2.39313298 -0.34734969 5.39947668 1.73204231 -0.17076374 -1.22503777 1.21638113 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49534 144210291 M M NTP Mix114 ER1 10-EQC Tox21_203093 -NCGC00091632-02 196723849 tox21-ror-cho-viability-p1 set3 4 -4.28853709 -6.64783391 2.44515156 -3.75466528 -0.36623211 -2.70079982 1.8240884 -1.13165572 -2.21546571 3.12088784 2.5426982 -0.08051844 3.32156288 2.59048791 2.87234307 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00090942-03 196721802 tox21-ror-cho-viability-p1 set3 -3 76.9588215421 -88.2044463074 -7.612215187 -95.8166614944 4.9549173134 0.9214642633 0.0000938055 -8.45589968 -11.07246385 -3.8041237 0.07718243 -3.4789448 -9.07444122 -6.54325972 -8.63453605 -9.59073635 -2.67961842 -10.05343754 -9.40535265 -19.43123797 -4.41233486 -76.04496944 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00258920-01 196721023 tox21-ror-cho-viability-p1 set3 4 38.2571958381 9.8039683199 -2.3039683199 7.5 2.4063783767 0.4702695527 0.2074012391 -4.59815387 -2.41723122 -2.2285025 5.23673295 -5.6699736 -1.59236368 -1.7110209 -2.74111174 -3.13884403 1.36445764 -3.72286516 -2.17711555 -2.59723671 4.10703086 6.06259953 1.172E-9 2.6199999999E-9 5.858E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.275E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008187 0.00001831 0.000040929999999 0.00009153 133-90-4 8630 144208566 A A Chloramben Clc1cc(C(=O)O)c(Cl)c(N)c1 Tox21_201368 -NCGC00259621-01 196721024 tox21-ror-cho-viability-p1 set3 -3 68.4501412252 -37.358982152 -3.5 -40.858982152 4.9549173134 0.9061090275 0.0002353055 -7.73810794 1.26870737 -1.17083669 1.09797425 -3.81335164 -5.69344902 -3.50404555 -4.76426852 -5.03206892 -3.91908115 -5.11232794 -3.0767889 -4.67514021 -3.33190707 -34.0150652 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.365E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.00004117 0.00009206 309-00-2 24860538 144209270 A A Aldrin ClC3=C(Cl)[C@]4(Cl)[C@@H]2[C@@H]1CC(C=C1)[C@@H]2C3(Cl)[C@@]4(Cl)Cl Tox21_202072 -NCGC00259149-01 196721417 tox21-ror-cho-viability-p1 set3 4 19.8434311839 9.54041258 -6.54041258 3 4.9549173134 0.5247075968 0.1574814597 -9.97483396 -7.85917175 -6.06484497 -2.63203716 -4.53893369 -9.6858786 -12.53367715 -4.88642154 -6.57681326 1.05817724 -5.97504911 -7.86905362 -1.81019109 2.12314781 3.45886274 1.206E-9 2.697E-9 6.0309999999E-9 1.349E-8 3.016E-8 6.743E-8 1.5079999999E-7 3.371E-7 7.539E-7 0.0000016859999999 0.000003769 0.000008429 0.00001885 0.00004214 0.000094239999999 60-80-0 2206 144208798 A A Phenazone O=C2C=C(C)N(C)N2c1ccccc1 Tox21_201600 -NCGC00259133-01 196721804 tox21-ror-cho-viability-p1 set3 4 -14.98180823 -2.01320544 -6.46027229 1.92707116 -9.8489532 -11.05880674 -7.35572848 -11.41376536 -12.10673 -2.99708707 -5.45839071 -11.40424077 -8.34427907 -5.12097539 -26.66665522 1.19E-9 2.6619999999E-9 5.951E-9 1.331E-8 2.976E-8 6.654E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.00000372 0.000008317 0.0000186 0.00004159 0.000092989999999 4130-42-1 20087 144208782 AC A 2,6-Di-tert-butyl-4-ethylphenol CC(C)(C)c1cc(cc(c1O)C(C)(C)C)CC Tox21_201584 -NCGC00259693-01 196721807 tox21-ror-cho-viability-p1 set3 4 -3.21432862 -7.05341688 -0.14788474 0.23582908 -0.84017383 -2.31586043 -6.58714874 -9.54151187 -7.72386705 -3.82279241 -1.9435155 -3.69238705 -2.39738104 -6.53362511 -13.38428253 1.18E-9 2.6389999999E-9 5.9009999999E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.299E-7 7.376E-7 0.000001649 0.000003688 0.0000082469999999 0.00001844 0.000041229999999 0.0000922 101-54-2 7564 144209342 A D N-Phenyl-1,4-benzenediamine Nc2ccc(Nc1ccccc1)cc2 Tox21_202144 -NCGC00259818-01 196722204 tox21-ror-cho-viability-p1 set3 4 -1.56766482 -2.22879638 -2.4194845 2.83880408 1.66951614 -0.25270488 -0.50299358 -0.62939854 1.03206652 -11.45258336 -5.53922445 0.88586048 1.54983019 -1.06120513 -0.26788051 1.163E-9 2.601E-9 5.817E-9 1.301E-8 2.908E-8 6.5039999999E-8 1.454E-7 3.252E-7 7.2709999999E-7 0.0000016259999999 0.000003636 0.000008129 0.00001818 0.00004065 0.000090889999999 63-05-8 6128 144209467 A A 4-Androstene-3,17-dione O=C2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_202269 -NCGC00357234-01 196724753 tox21-ror-cho-viability-p1 set3 4 -5.38668099 -4.54712262 -1.06783165 -4.45427647 -1.31186086 -3.58610246 -0.13552344 -0.38234477 -4.17874937 -2.10731346 -12.20298715 -4.71134177 -3.82672327 -11.03221725 -0.76719494 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7786-61-0 332 251919945 B 2-Methoxy-4-vinylphenol Oc1ccc(cc1OC)C=C Tox21_304024 -NCGC00164449-04 196724345 tox21-ror-cho-viability-p1 set3 4 0.0048557734 9.05318054 -8.05318054 1 4.4494702849 0.7357512135 0.0244462388 -7.0484759 -8.37765045 -1.84950143 -0.0471755 2.12704438 -2.04865541 2.49086352 1.65316963 -2.65805467 0.62670777 1.09841586 1.82199915 4.98383926 1.46495346 -0.0135115 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00257596-01 196729811 tox21-ror-cho-viability-p1 set3 4 2.6580580734 11.9341259519 -15.9158670519 -3.9817411 4.9549173134 0.3905722801 0.2969816242 -13.14419468 -10.4873919 -12.96610662 -19.74505047 -2.91737983 -26.17988921 -25.23924542 -22.41976349 -7.34965563 -20.50039754 -1.23478425 -4.98274385 -6.3313185 -4.1180664 -10.61573858 1.27E-9 2.841E-9 6.3519999999E-9 1.42E-8 3.1759999999E-8 7.102E-8 1.588E-7 3.551E-7 7.94E-7 0.0000017749999999 0.00000397 0.000008877 0.00001985 0.00004439 0.00009925 95-06-7 7216 144207240 A A Sulfallate C=C(Cl)CSC(=S)N(CC)CC Tox21_200042 -NCGC00258468-01 196729399 tox21-ror-cho-viability-p1 set3 4 1.9193651923 -16.814426036 0 -16.814426036 4.9549173134 0.7480970978 0.0259572635 1.09293303 -1.22687445 1.59847529 -1.74881491 0.10265847 -0.71240029 0.94532096 -0.70733237 -0.78852538 -4.73702412 -24.84535503 -24.21015296 -9.86379074 -8.59253133 -2.39524312 1.173E-9 2.6229999999E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.557E-8 1.466E-7 3.2779999999E-7 7.3309999999E-7 0.0000016389999999 0.000003665 0.0000081959999999 0.00001833 0.00004098 0.000091629999999 64519-82-0 88735 144208112 Z Z Isomalt OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O Tox21_200914 -NCGC00164127-03 196729797 tox21-ror-cho-viability-p1 set3 -2.1 54.4826732819 -110.7121113548 0.8297562779 -109.8823550769 2.8472712143 0.9911904928 4E-10 -2.08690371 -1.62051454 0.65322794 0.19075578 2.45985862 3.1746751 1.77452135 -0.04052322 -1.3276317 7.36718919 0.26735432 0.62396326 -4.79591322 -33.66161671 -89.33524803 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00258565-01 196729798 tox21-ror-cho-viability-p1 set3 4 0.2140351135 6.159339736 0.340660264 6.5 3.0654483358 0.7744720825 0.0132816327 0.11760482 -0.06617575 3.36604392 -0.54944978 0.06649243 1.01819022 0.95419762 5.61217565 7.39565666 6.93387864 4.29179821 5.65675775 4.73865529 7.11634655 10.38449716 1.167E-9 2.608E-9 5.8329999999E-9 1.304E-8 2.9159999999E-8 6.521E-8 1.458E-7 3.26E-7 7.2909999999E-7 0.0000016299999999 0.000003645 0.0000081509999999 0.00001823 0.000040759999999 0.000091129999999 2905-65-9 17946 144208210 A Ac Methyl 3-chlorobenzoate Clc1cc(ccc1)C(=O)OC Tox21_201012 -NCGC00258676-01 196729815 tox21-ror-cho-viability-p1 set3 4 66.9189936076 9.7451045319 -0.7451045319 9 4.0949729863 0.4931018759 0.1880239882 -0.72804683 -4.78758711 -0.78879178 0.69701177 -0.3202748 -2.56228202 -0.28343148 -3.852157 -4.01384831 1.94822635 0.3734771 0.21002055 1.44528806 0.28607682 6.65076209 1.156E-9 2.5839999999E-9 5.779E-9 1.292E-8 2.889E-8 6.461E-8 1.4449999999E-7 3.23E-7 7.224E-7 0.000001615 0.000003612 0.000008076 0.000018059999999 0.00004038 0.00009029 592-51-8 11604 144208322 A Ac 4-Pentenenitrile C=CCCC#N Tox21_201124 -NCGC00258435-01 196729820 tox21-ror-cho-viability-p1 set3 4 2.7695243776 12.947767752 -8.447767752 4.5 0.7 0.4100851559 0.2620991145 -7.92695056 -7.67290758 -4.95293332 -3.29824211 -24.53980646 -3.66576458 -5.17390892 -4.73448574 -3.30439856 -0.53415451 -4.53650378 -3.85088747 5.22839887 6.68292213 0.39141914 1.194E-9 2.6689999999E-9 5.968E-9 1.335E-8 2.9839999999E-8 6.6729999999E-8 1.4919999999E-7 3.3359999999E-7 7.4599999999E-7 0.000001668 0.00000373 0.0000083409999999 0.00001865 0.0000417 0.000093249999999 102-28-3 7604 144208079 A B 3-Aminoacetanilide O=C(C)Nc1cccc(N)c1 Tox21_200881 -NCGC00257793-01 196729821 tox21-ror-cho-viability-p1 set3 4 0.20759843 -2.2075803 0.16702029 0.89583172 0.11250591 3.36879363 2.15391988 0.69576852 -0.28354663 0.04444075 0.07404952 0.69297521 -0.09601583 1.89038231 1.34964416 1.135E-9 2.539E-9 5.6769999999E-9 1.27E-8 2.8389999999E-8 6.348E-8 1.419E-7 3.174E-7 7.097E-7 0.0000015869999999 0.0000035479999999 0.000007934 0.000017739999999 0.00003967 0.00008871 8065-48-3 24723 144207437 Z Z Demeton CCOP(=O)(OCC)SCCSCC Tox21_200239 -NCGC00257710-01 196730218 tox21-ror-cho-viability-p1 set3 -2.4 68.5896218971 -26.865343036 -1 -27.865343036 4.9549173134 0.8333952059 0.0036338698 -7.60024886 -1.20041216 -0.04036337 0.07487745 -5.54298467 -0.54479783 1.03664835 -0.6632563 1.11979448 -0.42858146 1.45839726 0.53759761 -0.75923449 -0.92986504 -22.80445253 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 60348-60-9 36159 144207354 A A 2,2',4,4',5-Pentabromodiphenyl ether Brc2cc(Oc1ccc(Br)cc1Br)c(Br)cc2Br Tox21_200156 -NCGC00091261-03 196708306 tox21-ror-cho-viability-p1 set1 4 -12.84300531 -4.26550925 -1.18527672 0.49825253 -2.88361664 1.2873718 -0.56389704 -6.66586683 0.00392506 -4.2667567 -11.67085335 -1.34864721 -0.54910068 -1.4148926 -1.8330194 1.1699999999E-9 2.6159999999E-9 5.849E-9 1.3079999999E-8 2.9239999999E-8 6.539E-8 1.462E-7 3.27E-7 7.311E-7 0.000001635 0.0000036549999999 0.0000081739999999 0.00001828 0.000040869999999 0.000091389999999 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00256721-01 196707893 tox21-ror-cho-viability-p1 set1 4 -6.920268 -0.17055832 0.1374875 -2.88778487 -0.11247102 -4.76262855 -4.05172384 -1.59998423 -11.18183168 -11.96162183 -4.92624564 -2.52292306 -2.70916328 -1.95969396 -6.08279134 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3811-04-9 6426889 144212840 Potassium chlorate [K+].[O-]Cl(=O)=O Tox21_302523 -NCGC00257222-01 196708304 tox21-ror-cho-viability-p1 set1 4 -4.90376588 3.88787675 5.41301259 4.99603942 -3.51329275 0.83119429 8.05448569 0.23759503 -2.9672068 0.32847035 -0.04208117 -3.79331483 -7.72947441 4.03004867 -0.19425097 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 623-17-6 12170 144213459 F Ac Furfuryl acetate O=C(C)OCc1ccco1 Tox21_303142 -NCGC00256423-01 196708305 tox21-ror-cho-viability-p1 set1 4 -0.14217946 -9.85916782 -16.95448125 -4.14304609 -12.1483361 -10.55608989 -12.65299132 -16.50841948 -15.87331898 -14.7108489 -19.67935027 -2.86130429 -13.42606076 -5.40980878 -1.92934668 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.00001889 0.00004225 0.00009447 141-90-2 1269845 144213272 A A Thiouracil O=C1C=CNC(=S)N1 Tox21_302955 -NCGC00257258-01 196707498 tox21-ror-cho-viability-p1 set1 4 19.3311819617 -13.044431404 -1 -14.044431404 4.9549173134 0.6267539833 0.0919528816 0.1620685 2.69385856 -4.4340555 1.68204576 0.60236195 -6.65515684 0.41862914 -4.05385835 0.58112623 -3.08265351 -0.36482819 3.02024983 -6.56438046 -13.78702617 -6.74445417 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2095-03-6 91511 144213731 C C Bis[4-(glycidyloxy)phenyl]methane c2cc(OCC1CO1)ccc2Cc4ccc(OCC3CO3)cc4 Tox21_303420 -NCGC00259635-01 196706675 tox21-ror-cho-viability-p1 set1 4 1.62733441 0.49724575 5.47824853 6.01979875 2.27046691 -0.04423672 1.21816813 -0.58228261 2.19995948 14.26759567 0.65635724 2.88039219 -0.08334978 4.72565694 4.95517081 1.164E-9 2.603E-9 5.8199999999E-9 1.301E-8 2.91E-8 6.507E-8 1.4549999999E-7 3.253E-7 7.275E-7 0.0000016269999999 0.0000036369999999 0.000008134 0.00001819 0.00004067 0.00009094 18328-90-0 87587 144209284 FNS N-Ethyl-2-methyl-2-propen-1-amine C=C(C)CNCC Tox21_202086 -NCGC00257178-01 196707072 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -11.425900548 0.5 -10.925900548 4.9549173134 0.8355617079 0.0035795372 0.293212 -0.2457571 -0.14223661 0.05151667 1.60997304 1.18536569 0.76600165 -0.61001698 -1.05716827 2.24266721 -0.09774531 1.93799807 0.89714391 1.25751862 -8.27158379 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 298-07-7 9275 144213404 F A Bis(2-ethylhexyl) phosphate CCCCC(COP(O)(=O)OCC(CC)CCCC)CC Tox21_303087 -NCGC00256330-01 196707074 tox21-ror-cho-viability-p1 set1 4 -3.85580971 9.15163341 -0.95308471 -1.95631255 -1.89444548 0.37654553 0.41234321 -1.63349436 -3.06079386 -1.09570041 -1.89626186 -1.5662062 -1.10944994 0.97581376 -0.1801723 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10030-73-6 5282745 144213293 A A (E)-Hexadec-9-enoic acid O=C(O)CCCCCCC\C=C\CCCCCC Tox21_302976 -NCGC00256650-01 196707499 tox21-ror-cho-viability-p1 set1 -2.4 61.130564862 -30.227946824 -2.5 -32.727946824 3.0654483358 0.7516245262 0.0190287518 0.25174531 -0.36762182 -6.49275833 1.0267538 -0.64926197 -11.59618822 -6.32909951 -0.49619164 -1.68412739 0.85870007 -6.41957408 -1.32069237 -2.10543288 -9.88013438 -26.02328902 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 505-79-3 62351 144212926 A D 3-(Methylthio)propyl isothiocyanate S=C=N\CCCSC Tox21_302609 -NCGC00090702-02 196707904 tox21-ror-cho-viability-p1 set1 4 -7.95539365 -9.59566252 -11.84872682 -2.40971236 -9.19804363 -19.04912799 -10.44609255 -17.97099698 -21.45355871 -21.2585804 -20.21486807 -3.28299149 -6.20197976 -6.89722539 -12.72223591 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00256577-01 196707910 tox21-ror-cho-viability-p1 set1 4 0.0243365162 6.4945580481 0.0054419519 6.5 1.713743691 0.4882661646 0.190478562 0.77104197 -1.24546504 0.27124498 3.14344255 2.93766153 5.07551757 6.25678861 12.06400015 8.50094733 1.4138072 2.38574078 8.68129727 4.26823787 5.51879295 9.93525885 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-24-8 5755 144213304 A A Prednisolone OCC(=O)[C@@]4(O)CC[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_302987 -NCGC00257167-01 196707911 tox21-ror-cho-viability-p1 set1 -2.2 27.3060203028 -41.1686522876 1.7109522524 -39.4577000352 1.92824246 0.9433632837 0.0000165788 0.90664213 4.67918408 0.3788572 4.31022838 -2.54839134 3.18112738 1.2780695 0.05655642 -0.45367007 0.61081029 3.71366988 -1.63587481 -14.56553677 -21.11672619 -41.10177087 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 538-75-0 10868 144213554 A Ac Dicyclohexylcarbodiimide N(=C=N\C1CCCCC1)\C2CCCCC2 Tox21_303237 -NCGC00164593-02 196705164 tox21-ror-cho-viability-p1 set1 4 0.99732 -0.22709862 1.27593716 1.03111634 1.08762786 0.83173016 0.89405674 0.74056856 0.89512398 3.11321272 1.16527498 1.79610814 4.53613356 -0.23815422 -0.28347126 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 76420-72-9 37888454 170464938 A Enalapril acid OC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N[C@H](CCc1ccccc1)C(=O)O Tox21_113430_1 -NCGC00247671-01 196705128 tox21-ror-cho-viability-p1 set1 4 -3.34759383 -1.18845253 -1.90400036 -0.54196826 -1.75434766 -3.39479486 -0.21660541 1.04312096 -8.07370401 0.25349198 -2.93294528 -3.33109184 -1.72231927 -2.0434284 -1.86884641 1.158E-9 2.5899999999E-9 5.792E-9 1.2949999999E-8 2.896E-8 6.4759999999E-8 1.448E-7 3.238E-7 7.241E-7 0.0000016189999999 0.00000362 0.000008095 0.0000181 0.000040479999999 0.00009051 29493-77-4 3058503 144206371 A A (4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine NC1=N[C@H](C)[C@@H](O1)c2ccccc2 Tox21_112818 -NCGC00015615-15 196705131 tox21-ror-cho-viability-p1 set1 4 -5.21107557 -2.83887127 -1.15168634 -1.43842356 -2.67161197 1.83098253 0.11184201 -0.64869745 0.03019352 -1.00265612 -4.45606556 -1.85678913 1.79209528 2.02716094 4.24572857 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103577-45-3 3883 170464649 A Lansoprazole FC(F)(F)COc3ccnc(CS(=O)c1nc2ccccc2n1)c3C Tox21_110184_1 -NCGC00259369-01 196705993 tox21-ror-cho-viability-p1 set1 4 9.76912122 8.99861133 2.79757542 3.40191281 1.23803895 3.40056444 0.37824105 2.25124482 2.33926816 3.79915954 0.13948688 0.5714964 3.70700407 -0.21531033 3.95804413 1.203E-9 2.6889999999E-9 6.013E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003758 0.000008404 0.000018789999999 0.00004202 0.000093959999999 112-35-6 8178 144209018 A A 2-[2-(2-Methoxyethoxy)ethoxy]ethanol OCCOCCOCCOC Tox21_201820 -NCGC00259793-01 196705571 tox21-ror-cho-viability-p1 set1 -2.2 78.1014201675 -51.8729643897 -3.997031327 -55.8699957167 3.0654483358 0.8159253394 0.0055839135 -10.52285059 -8.4693713 -13.27163412 -8.89358545 2.36915887 2.63673518 -2.81286506 4.23546803 -6.61763298 0 -8.52468517 -2.80926713 -1.74217761 -18.43213696 -45.73484524 1.593E-9 3.5609999999E-9 7.963E-9 1.781E-8 3.982E-8 8.903E-8 1.991E-7 4.452E-7 9.9539999999E-7 0.000002226 0.000004977 0.00001113 0.00002488 0.000055639999999 0.0001244 13029-08-8 25622 144209442 A A 2,2'-Dichlorobiphenyl Clc2ccccc2c1ccccc1Cl Tox21_202244 -NCGC00259010-01 196705989 tox21-ror-cho-viability-p1 set1 -2.1 24.3860225971 -110.1215975634 4.5310589743 -105.5905385891 1.287561 0.9877238907 2.8E-9 3.83353453 4.65371832 6.94771561 10.90232648 2.49805047 7.67632091 1.34396791 1.61852239 -0.90173267 0 -5.73666377 -12.0845194 -45.57801737 -65.85816233 -89.78787295 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.303E-7 7.387E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 26530-20-1 33528 144208657 A A Octhilinone O=C1C=CSN1CCCCCCCC Tox21_201459 -NCGC00090827-04 196705996 tox21-ror-cho-viability-p1 set1 4 0.6150375431 27.252427828 -22.252427828 5 0.2 0.606697448 0.0923464156 -20.62702319 -11.80381877 -14.0349173 -17.43033532 -8.88247822 -7.78134644 -6.10687943 -9.14814304 -9.92723907 -14.08226801 -8.19187662 -7.826134 -1.43787659 -5.04692443 2.59942184 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00260010-01 196706401 tox21-ror-cho-viability-p1 set1 4 16.6603461596 -10.08903222 -1 -11.08903222 2.4063783767 0.5427247826 0.1421508863 0.1010463 -1.09689295 1.66900857 -0.26339732 -0.14874214 -0.29407022 -4.9528631 -1.39172374 -10.16717954 1.67530162 -0.76701129 0.75404426 -10.20575395 -9.0726034 -10.90752685 1.2629999999E-9 2.824E-9 6.3139999999E-9 1.412E-8 3.157E-8 7.059E-8 1.579E-7 3.5299999999E-7 7.893E-7 0.0000017649999999 0.000003946 0.0000088239999999 0.00001973 0.00004412 0.00009866 26628-22-8 33557 144209659 Sodium azide [Na+].[N-]=[N+]=[N-] Tox21_202461 -NCGC00259583-01 196706413 tox21-ror-cho-viability-p1 set1 4 8.46022321 6.03005845 0.73923851 3.08336895 5.87269785 1.32387095 -0.23533566 0.3162745 -8.04854096 12.57900516 0.43474647 0.04111196 -0.45691575 2.38510838 -0.24271225 1.171E-9 2.617E-9 5.8529999999E-9 1.3089999999E-8 2.926E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.316E-7 0.0000016359999999 0.000003658 0.00000818 0.00001829 0.0000409 0.00009145 101-02-0 7540 144209232 FC Ac Triphenyl phosphite O(P(Oc1ccccc1)Oc2ccccc2)c3ccccc3 Tox21_202034 -NCGC00259605-01 196706414 tox21-ror-cho-viability-p1 set1 4 7.87798543 2.93406467 0.89570171 2.75170191 -0.62246679 2.56649835 0.61213396 2.50394312 6.67820939 5.33848904 -0.58566146 2.82390487 1.99529371 1.38117939 1.13439389 1.15E-9 2.573E-9 5.752E-9 1.2859999999E-8 2.876E-8 6.431E-8 1.438E-7 3.2159999999E-7 7.1899999999E-7 0.000001608 0.000003595 0.0000080389999999 0.00001798 0.0000402 0.000089879999999 108-38-3 7929 144209254 FC m-Xylene Cc1cccc(C)c1 Tox21_202056 -NCGC00091086-02 196706808 tox21-ror-cho-viability-p1 set1 4 24.3365162115 11.7914116559 -5.7914116559 6 0.5 0.3617986631 0.3098152308 -0.41398928 -8.65244266 -8.76534087 -3.37344664 -3.08044578 -13.57617638 -3.81539299 -3.83063025 -0.12363273 -2.86523359 -1.18216021 -5.95974027 0.67906623 -0.63464987 4.01797943 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00259011-01 196706809 tox21-ror-cho-viability-p1 set1 4 0.54111742 1.62407913 -2.50069709 3.9341889 -2.93662952 -2.23106453 4.38107045 4.72852763 2.72617573 0 1.76273172 -0.77674355 -0.35425808 1.83454633 1.0077888 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004135 0.00009247 90-04-0 7000 144208658 A Bc 2-Anisidine Nc1ccccc1OC Tox21_201460 -NCGC00259683-01 196706814 tox21-ror-cho-viability-p1 set1 4 -4.55538599 3.71794392 -6.85903365 -3.5864835 0.40808015 -7.98017054 -4.06209371 -0.5435906 -0.0966006 0 2.0756132 2.00967737 -1.88765764 2.80998946 -5.20039887 1.1759999999E-9 2.63E-9 5.8799999999E-9 1.315E-8 2.94E-8 6.574E-8 1.4699999999E-7 3.2869999999E-7 7.35E-7 0.000001643 0.0000036749999999 0.000008217 0.00001837 0.00004109 0.00009187 2516-40-7 612040 144209332 B Bc 2-Bromobenzothiazole Brc1nc2ccccc2s1 Tox21_202134 -NCGC00255255-01 196728668 tox21-ror-cho-viability-p1 set3 4 3.29322193 -4.50102671 -2.43139677 -1.106217 0.554484 -1.09168018 1.66568194 -0.04946512 -2.01402806 -0.04843066 -4.09091749 -3.31114471 -4.9216703 -4.80301856 -0.38346933 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 657-24-9 4091 144212687 A Metformin N=C(N)NC(=N)N(C)C Tox21_302370 -NCGC00255339-01 196728259 tox21-ror-cho-viability-p1 set3 4 1.41818781 2.51924268 -1.00035182 -0.47992307 -2.68626951 -2.77134482 4.01338165 -0.7078154 4.42565516 -5.15309529 -6.24934813 5.87677974 -2.9663039 -4.56402586 1.33293757 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1929-73-3 16002 144211876 A A 2,4-D-Butotyl Clc1cc(Cl)ccc1OCC(=O)OCCOCCCC Tox21_301559 -NCGC00255766-01 196728673 tox21-ror-cho-viability-p1 set3 -1.3 2.1689942904 -61.4076393501 1.4660455849 -59.9415937652 4.9549173134 0.9546004055 0.8365128476 -3.1970094 4.056071 -2.92434158 4.23976927 -0.13026749 -3.62878907 6.52066304 5.07568328 5.62749342 -10.78814734 -64.15842526 -32.75413161 35.17614161 -8.62521565 -51.98022717 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4986-89-4 62556 144212002 A Ac Pentaerythritol tetraacrylate O=C(C=C)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C Tox21_301685 -NCGC00255823-01 196728674 tox21-ror-cho-viability-p1 set3 4 27.3060203028 6.88574106 -0.88574106 6 4.9549173134 0.4002117432 0.2743176821 -1.17861092 6.76488765 -3.10758582 -1.45827326 -1.91646871 -0.64465847 2.1291552 -2.71888178 0.91364238 -1.40360318 -0.62165972 -4.48811755 -0.36104302 6.13173421 4.90530666 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 137-03-1 8710 144212240 A Ac 2-Heptylcyclopentanone O=C1CCCC1CCCCCCC Tox21_301923 -NCGC00163818-04 196729074 tox21-ror-cho-viability-p1 set3 -1.2 4.6153349194 -26.5209434359 1.5 -25.0209434359 1.4641 0.9406948707 0.0000212659 0.52952504 -0.072842 -0.90794137 2.4951523 3.82056896 -0.06011448 2.24622394 1.22364455 2.3879075 -1.34230701 -11.96909508 -19.45133093 -19.58718451 -19.30129461 -30.43411953 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00015060-14 196729080 tox21-ror-cho-viability-p1 set3 4 -11.28471212 3.47062 3.20213617 -1.07883893 4.56693609 0.19898255 2.09959207 3.14262059 1.75884622 0.80081802 -1.02342902 -7.76296742 -8.91420743 -0.0836892 9.69508157 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00256132-01 196729087 tox21-ror-cho-viability-p1 set3 4 5.4482673282 -5.3940475359 1 -4.3940475359 4.9549173134 0.4069051031 0.285215235 1.5159567 -0.86579868 0.01711239 -1.56225392 0.21768486 1.26258609 4.35792078 -1.69374051 -0.24320114 2.67898371 3.27609235 -7.41170628 -5.56470901 0.13699537 -1.36713175 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3445-11-2 76980 144212017 A A 1-(2-Hydroxyethyl)pyrrolidin-2-one O=C1CCCN1CCO Tox21_301700 -NCGC00256285-01 196729088 tox21-ror-cho-viability-p1 set3 -3 54.4826732819 -44.080801859 4 -40.080801859 2.4729283767 0.6659305884 0.0548976095 0.1733759 14.59242335 3.10547459 14.14519308 5.96825764 -4.29120559 13.8514671 7.25795515 1.0849576 -5.94179098 -6.02019862 6.77281246 -1.2835815 -9.41518233 -31.24735348 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84-51-5 6772 144212011 A A 2-Ethylanthracene-9,10-dione CCc2ccc3C(=O)c1ccccc1C(=O)c3c2 Tox21_301694 -NCGC00256182-01 196729092 tox21-ror-cho-viability-p1 set3 4 54.4826732819 -28.6962785 2.5 -26.1962785 1.4163171 0.8557260516 0.0018933158 0.55866833 4.4276039 1.02947836 3.27497569 1.12057167 0.00572461 8.25150766 6.75603369 1.29380075 0.75286082 0.47443908 -0.53678874 -2.96264825 -7.77569313 -18.49689875 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-99-5 7212 144211866 A D 2,4-Dichloro-1-(chloromethyl)benzene ClCc1ccc(Cl)cc1Cl Tox21_301549 -NCGC00258593-01 196729583 tox21-ror-cho-viability-p1 set3 4 2.97055618 0.14387545 -2.16839297 0.29158998 3.42458955 -1.79871851 4.06852128 3.92648046 2.87667408 1.81346799 -1.76113928 -1.03892192 3.44531421 1.17785251 -1.29468927 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 84-76-4 6787 144208238 A Z Dinonyl phthalate O=C(OCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCC Tox21_201040 -NCGC00258466-01 196729565 tox21-ror-cho-viability-p1 set3 -2.2 47.9657689683 -75.1704720194 -3.322457825 -78.4929298444 1.8851180601 0.7668510723 0.0148019414 3.38144958 -4.91227919 3.29959416 -5.54913979 2.76859604 0.70472649 1.88160404 3.29864526 -24.94283516 -21.49383345 -4.21748162 -4.9725063 -4.2676083 -40.90685541 -59.84312867 1.1679999999E-9 2.6129999999E-9 5.8419999999E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.461E-7 3.2659999999E-7 7.3029999999E-7 0.0000016329999999 0.0000036509999999 0.0000081649999999 0.00001826 0.00004082 0.00009129 8001-35-2 5284469 144208110 FNS Toxaphene ClC2(Cl)C1(Cl)C(Cl)C(Cl)C2(Cl)C(=C)C1(CCl)CCl Tox21_200912 -NCGC00254890-01 196714918 tox21-ror-cho-viability-p1 set2 -2.1 54.4826732819 -86.2429583989 -1.214995933 -87.4579543319 3.5117481694 0.9929940519 1E-10 -1.27037567 -0.12497353 1.80302423 -1.09709562 -1.04954361 -0.05299298 -3.41254159 -2.35408079 0.58923685 -5.18312909 -0.94127234 -0.67546821 -3.39659597 -25.63709552 -75.3469351 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 115-32-2 8268 144211305 I Dicofol OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(Cl)(Cl)Cl Tox21_300988 -NCGC00254328-01 196714919 tox21-ror-cho-viability-p1 set2 -2.4 4.8557733675 -32.1909328841 -2.8447496359 -35.03568252 0.4 0.8410423253 0.0029331574 -3.15626144 -2.93162291 -1.95395803 -9.89656554 -3.20329779 -12.88489387 -10.25754657 -12.7177315 -13.45871948 -14.92546357 -10.88653996 -18.40671473 -27.94478761 -29.1964021 -24.59291732 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10605-21-7 25429 144210796 A A Carbendazim O=C(OC)Nc1nc2ccccc2n1 Tox21_300478 -NCGC00257790-01 196715320 tox21-ror-cho-viability-p1 set2 4 30.6378586933 -16.440942516 -0.5 -16.940942516 2.2481167061 0.8815099948 0.0007497785 -4.43260865 -1.65916245 -1.74881928 2.23772468 -1.82782512 -1.02372014 1.64016083 1.86285948 -0.60331289 -1.3213944 0.20345025 -1.23807919 -5.26205801 -10.36241404 -17.45078543 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041219999999 0.00009218 6197-30-4 22571 144207434 A A 2-Ethylhexyl-2-cyano-3,3-diphenylacrylate CCC(CCCC)COC(=O)C(\C#N)=C(\c1ccccc1)c2ccccc2 Tox21_200236 -NCGC00257741-01 196715325 tox21-ror-cho-viability-p1 set2 4 -0.60690337 2.17921287 -1.62416753 -2.34074429 -0.64339299 2.33707822 1.8019184 2.03474589 1.92353064 0.00488011 -1.03764019 1.11885632 0.61066716 0.6471915 1.27061107 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.9479999999E-8 6.591E-8 1.474E-7 3.295E-7 7.369E-7 0.000001648 0.000003684 0.000008239 0.00001842 0.00004119 0.00009211 527-85-5 10704 144207385 A A 2-Methylbenzamide Cc1ccccc1C(=O)N Tox21_200187 -NCGC00257768-01 196715344 tox21-ror-cho-viability-p1 set2 -2.4 54.9262221145 -26.772561368 1 -25.772561368 2.6384283767 0.9274706873 0.000062482 2.01300133 4.42690561 -0.32330667 -0.2751672 -2.85192824 0.50832949 -0.01312106 1.60965225 2.32415169 2.06144942 0.20978855 0.23467879 -0.41892103 -7.41748098 -20.64380114 1.188E-9 2.657E-9 5.941E-9 1.3279999999E-8 2.971E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016609999999 0.000003713 0.000008303 0.00001857 0.000041509999999 0.000092829999999 144-48-9 3727 144207412 FNS Iodoacetamide ICC(N)=O Tox21_200214 -NCGC00255058-01 196714931 tox21-ror-cho-viability-p1 set2 4 -3.07757261 0.492744 -1.37923443 -0.47695198 -2.74911335 -2.01167732 -3.6006505 -1.99459241 -1.20402482 0.75735994 -0.79034994 -3.29054222 -1.0586021 0.61552249 -3.24679367 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-17-6 7328 144211477 A F Dichlofenthion Clc1cc(Cl)ccc1OP(=S)(OCC)OCC Tox21_301160 -NCGC00254664-01 196714944 tox21-ror-cho-viability-p1 set2 4 0.67409555 -0.0598974 3.09589943 0.44790608 1.63599959 -0.3701234 0.46347707 0.57206316 -0.49968159 3.16312293 0.20744795 1.78133493 3.64089947 1.40243349 0.25135559 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 50594-66-6 44073 144211077 A A Acifluorfen Clc2cc(ccc2Oc1cc(C(=O)O)c(cc1)[N+]([O-])=O)C(F)(F)F Tox21_300760 -NCGC00258015-01 196715342 tox21-ror-cho-viability-p1 set2 4 3.73213633 1.14605477 0.22888198 2.16517965 -0.39184019 3.44184214 0.06287383 0.09751895 3.69520074 2.70831282 3.53088713 -0.3589292 0.05995346 0.97923838 0.01611136 1.1689999999E-9 2.615E-9 5.8469999999E-9 1.3069999999E-8 2.9239999999E-8 6.537E-8 1.462E-7 3.269E-7 7.309E-7 0.0000016339999999 0.0000036539999999 0.0000081709999999 0.00001827 0.00004086 0.000091359999999 6422-86-2 22932 144207659 A F Bis(2-ethylhexyl) terephthalate CCC(CCCC)COC(=O)c1ccc(cc1)C(=O)OCC(CC)CCCC Tox21_200461 -NCGC00258614-01 196715348 tox21-ror-cho-viability-p1 set2 4 2.98062631 4.0775268 1.50900766 1.22716811 3.21763113 2.45631194 1.20394902 3.70785444 0.3159987 1.34451168 3.71908226 -5.47554773 3.22676827 0.34870744 3.35601819 1.188E-9 2.656E-9 5.9389999999E-9 1.3279999999E-8 2.9699999999E-8 6.64E-8 1.4849999999E-7 3.32E-7 7.4239999999E-7 0.0000016599999999 0.000003712 0.0000083 0.00001856 0.0000415 0.000092799999999 174899-82-2 11731903 144208259 Fc 1-Ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide C[n+]1ccn(CC)c1.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F Tox21_201061 -NCGC00258031-01 196715362 tox21-ror-cho-viability-p1 set2 4 3.09317265 1.0379455 -1.72723784 -0.53619555 4.77640568 3.80191467 4.23580161 4.31832337 0.16509045 4.58930871 1.18632733 -0.98281039 0.99527062 3.40112274 0.73902438 1.1919999999E-9 2.6649999999E-9 5.96E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.332E-7 7.45E-7 0.0000016659999999 0.000003725 0.000008329 0.00001862 0.000041649999999 0.00009312 3399-22-2 7198 144207675 A A Dimethyl trans-cyclohexane-1,4-dicarboxylate COC(=O)[C@H]1CC[C@@H](CC1)C(=O)OC Tox21_200477 -NCGC00257840-01 196715762 tox21-ror-cho-viability-p1 set2 4 -2.39492064 -1.76622607 -3.79234533 -10.08528345 -4.32385605 0.95655156 -3.87959042 -4.2046272 0.68260174 -3.56799412 -2.77621536 -2.14054165 -0.91625364 -0.03399602 0.1858065 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.586E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009204 118-91-2 8374 144207484 A A 2-Chlorobenzoic acid OC(=O)c1ccccc1Cl Tox21_200286 -NCGC00258118-01 196715768 tox21-ror-cho-viability-p1 set2 4 2.51425285 1.98643096 2.0750264 3.33366264 4.07384234 3.67669033 -0.38671774 2.62127195 1.72299969 3.27251892 0.87324679 6.98231135 0.72166647 1.05831901 -0.18938233 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004129 0.000092319999999 149-32-6 222285 144207762 A A Erythritol OC[C@@H](O)[C@@H](O)CO Tox21_200564 -NCGC00257606-01 196715770 tox21-ror-cho-viability-p1 set2 4 0.70934316 -8.24901291 -4.3852894 -1.82739428 -1.42460497 1.8511436 -3.23684308 -4.97508246 0.47331207 -1.44838645 -0.92592245 2.16913715 -5.76177216 -3.29493586 -5.67984861 1.1689999999E-9 2.614E-9 5.845E-9 1.3069999999E-8 2.922E-8 6.535E-8 1.461E-7 3.267E-7 7.306E-7 0.0000016339999999 0.000003653 0.0000081679999999 0.00001826 0.00004084 0.000091319999999 111-86-4 8143 144207250 Fc Fc 1-Octanamine CCCCCCCCN Tox21_200052 -NCGC00255305-01 196700602 tox21-ror-cho-viability-p1 set1 4 0.968854161 3.9586682361 0.0413317639 4 3.1319983358 0.3908268594 0.2842337118 0.61401486 -1.63222353 0.26543353 1.24323405 0.10612855 0.39791007 -1.5427423 0.03031834 0.25468567 5.12917026 5.88337227 3.51994077 -0.91326403 0.20706159 9.03658108 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-77-3 2717 144212514 A A Chlormezanone O=C1CCS(=O)(=O)C(N1C)c2ccc(Cl)cc2 Tox21_302197 -NCGC00255820-01 196700189 tox21-ror-cho-viability-p1 set1 4 -3.03938627 -3.69644611 0.45051584 1.2952471 -3.01554175 -0.25767097 -5.94018407 0.55673348 -2.40502334 -3.95834143 -11.1111001 -4.80270493 1.2928954 -0.23410362 0.35915821 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-03-0 16682993 144212185 Fc Aluminum hydroxide acetate (1:1:2) O[Al](OC(=O)C)OC(C)=O Tox21_301868 -NCGC00091602-02 196700190 tox21-ror-cho-viability-p1 set1 4 1.70851869 1.20322751 -0.10924568 -1.5221142 -2.33092913 -0.17987709 0.14758157 0.31835006 -2.70836547 -0.31545205 -1.75949494 1.11584659 -1.37636475 -3.64212805 -2.54255509 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00255832-01 196700198 tox21-ror-cho-viability-p1 set1 4 19.3311819617 -11.689730636 2 -9.689730636 4.9549173134 0.6913107227 0.0423494008 3.45073623 0.96838139 6.72514043 3.60427817 0.13149703 -0.6515981 3.76072833 6.64070824 -2.54907489 0.94755626 0.44557386 -0.56987393 -3.27754245 -11.82477553 -7.18788793 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-13-4 2723631 144211708 A A N,N'-Dimethylthiourea CNC(=S)NC Tox21_301391 -NCGC00255120-01 196700604 tox21-ror-cho-viability-p1 set1 4 13.6854287769 24.64493854 -6.64493854 18 0.6999999999 0.8849384203 0.0006461323 -9.70411545 -6.5551515 -8.04860729 -4.76569262 -5.16792243 -6.39184851 -5.36641621 -5.63127333 -5.22330403 1.06065406 2.83698914 -1.25817817 4.20217276 14.65122951 12.24933918 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 73-24-5 190 144212425 F Ac Adenine Nc1ncnc2ncnc12 Tox21_302108 -NCGC00254590-01 196699791 tox21-ror-cho-viability-p1 set1 4 -5.21633842 0.62159758 -7.75355512 1.22162675 -1.20333102 -0.56422398 0.62413314 1.09956085 1.53472654 0.00597307 0.56371782 -1.52550326 -0.42186824 0.2053351 -0.77612454 1.216E-9 2.72E-9 6.0809999999E-9 1.36E-8 3.041E-8 6.7989999999E-8 1.5199999999E-7 3.4E-7 7.6019999999E-7 0.0000016999999999 0.000003801 0.000008499 0.000018999999999 0.000042499999999 0.00009502 102268-15-5 113606 144210999 A A 5-Ethyl-2,3-pyridinedicarboxylic acid OC(=O)c1ncc(cc1C(=O)O)CC Tox21_300682 -NCGC00254321-01 196699384 tox21-ror-cho-viability-p1 set1 4 17.2289340586 -7.516129584 0 -7.516129584 4.9549173134 0.6601993971 0.059133331 0.09829029 -0.51193186 1.12363749 -0.10565962 0.55791524 0.84011691 1.28778614 0.26531683 1.15369508 -6.54133691 -0.50795212 1.9620167 -4.34570635 -8.76344132 -6.52375054 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69-74-9 6252 144210806 A A Cytarabine hydrochloride Cl.NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O Tox21_300488 -NCGC00254440-01 196699392 tox21-ror-cho-viability-p1 set1 -2.2 54.4826732819 -40.041978512 -0.5 -40.541978512 1.4787409999 0.8850162617 0.0006426989 1.16754472 1.11078254 -6.05175076 -1.31166614 0.44570422 1.77203116 2.92159956 -0.65138866 0.77265552 0.47716393 -7.93643811 -1.15201863 -9.26668467 -13.86902603 -30.45164876 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97322-87-7 5591 144210788 A A Troglitazone Cc1c(O)c(C)c(C)c2OC(C)(CCc12)COc4ccc(CC3SC(=O)NC3=O)cc4 Tox21_300470 -NCGC00255083-01 196699395 tox21-ror-cho-viability-p1 set1 4 2.05227992 -1.45312908 -2.09795098 -3.40037933 -1.95970769 -0.71414622 -0.33825939 -2.4159825 0.91278105 -1.92858178 -8.16577376 1.34985754 3.05179924 0.19220028 -3.41336286 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 94361-06-5 86132 144211502 I I Cyproconazole OC(Cn1cncn1)(C(C)C2CC2)c3ccc(Cl)cc3 Tox21_301185 -NCGC00254601-01 196699788 tox21-ror-cho-viability-p1 set1 4 19.3311819617 -8.04611348 -1 -9.04611348 4.9549173134 0.4440632674 0.2499844615 -3.76007932 -0.67976658 0.01472934 -2.30407671 0.22251191 1.57010758 -3.93726929 0.02852102 0.37577176 -7.12487425 0.14627544 0.79702632 -4.2108701 -8.7884279 3.27533812 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 646-06-0 12586 144211010 FNS 1,3-Dioxolane C1COCO1 Tox21_300693 -NCGC00254444-01 196699805 tox21-ror-cho-viability-p1 set1 4 -4.35747738 -0.21452548 -6.19796617 -5.19306324 -5.66113134 -5.77501603 -2.12143734 0.00110978 -2.27660609 -4.73382914 -4.98747332 -11.14203852 -7.16815496 -6.19851994 -5.91111049 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2176-62-7 16584 144210689 Pentachloropyridine Clc1c(Cl)c(Cl)nc(Cl)c1Cl Tox21_300371 -NCGC00254317-01 196699807 tox21-ror-cho-viability-p1 set1 -2.4 27.3060203028 -19.0398807399 -1 -20.0398807399 4.9549173134 0.7526933545 0.0187110429 -7.08578532 5.01130172 1.76643789 1.92772682 -6.98242381 1.13658693 -6.79550204 -1.06383843 -0.30335947 -1.65425198 0.8314643 0.19251627 -0.80716896 -20.03323395 -18.34615183 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-14-2 8461 144210811 A F 2,4-Dinitrotoluene Cc1ccc(cc1[N+](=O)[O-])[N+]([O-])=O Tox21_300493 -NCGC00260289-01 196724400 tox21-ror-cho-viability-p1 set3 4 -3.51065622 2.34839348 3.9675614 0.79609841 0.10375834 2.33512609 0.24862126 3.08991994 1.32278449 5.53537263 2.36614141 5.28399202 -2.55855469 3.76696175 8.81673514 3.437E-10 7.686E-10 1.719E-9 3.843E-9 8.593E-9 1.921E-8 4.2959999999E-8 9.607E-8 2.148E-7 4.804E-7 0.000001074 0.000002402 0.000005371 0.000012009999999 0.00002685 127-09-3 517045 144209939 A Sodium acetate [Na+].[O-]C(C)=O Tox21_202741 -NCGC00256118-01 196728062 tox21-ror-cho-viability-p1 set3 4 -0.88842536 -3.51442995 0.96199037 -0.66232157 1.97004012 1.63498837 2.08810836 1.37727537 5.88973576 -1.31182647 3.25005495 -2.95834647 -0.74367929 0.02277931 -4.27491483 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 699-12-7 69685 144211837 A F 2-Phenylmercaptoethanol OCCSc1ccccc1 Tox21_301520 -NCGC00256301-01 196728070 tox21-ror-cho-viability-p1 set3 4 0.0432771257 5.964983116 -2.464983116 3.5 4.9549173134 0.3878096094 0.2846203497 -2.43926834 -1.13807553 -1.58215232 -4.13748593 -2.0996512 3.9887212 7.81576455 10.83099978 4.8575026 -2.20910662 4.08060865 -1.14318781 6.31171891 -2.41680902 3.48026908 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4273-98-7 77956 144211943 A A 2-(Phenylsulfonyl)aniline Nc1ccccc1S(=O)(=O)c2ccccc2 Tox21_301626 -NCGC00255261-01 196728073 tox21-ror-cho-viability-p1 set3 4 0.0544826733 -9.872428884 10 0.127571116 0.6 0.3629454465 0.3078663504 0.95326189 19.06099359 8.3271509 7.8989795 1.72738655 2.68956568 6.90153506 0.13420145 4.35557748 6.05848734 -3.1634991 -3.22702407 0.89551304 1.16566604 0.86476226 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85507-79-5 19283 144212735 F F Phthalic acid, diundecyl ester, branched and linear O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC Tox21_302418 -NCGC00090776-02 196724393 tox21-ror-cho-viability-p1 set3 4 -5.17774169 -1.34390362 5.36392536 -0.74640218 -4.25778354 -2.31042635 6.15437294 -2.69244566 2.48271394 3.88897579 -3.28061371 2.01685491 4.46307643 -1.95142802 5.67156641 1.164E-9 2.6039999999E-9 5.822E-9 1.302E-8 2.911E-8 6.509E-8 1.4549999999E-7 3.255E-7 7.2769999999E-7 0.0000016269999999 0.000003639 0.000008136 0.00001819 0.00004068 0.000090969999999 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00260194-01 196724401 tox21-ror-cho-viability-p1 set3 4 -3.68795977 -0.48111454 -3.74812086 -0.24738446 4.3617816 7.21384491 5.31044514 -3.64345361 3.57845356 -2.22970008 1.64555784 -1.58695102 0.00675981 0.73574961 1.74864661 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.386E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 219947-95-2 50878565 144209844 F 1-Hexadecyl-3-methylimidazolium hexafluorophosphate F[P-](F)(F)(F)(F)F.C[n+]1ccn(CCCCCCCCCCCCCCCC)c1 Tox21_202646 -NCGC00357011-01 196724807 tox21-ror-cho-viability-p1 set3 -2.2 21.1316824289 -39.098365176 0 -39.098365176 1.78848746 0.9038068281 0.0002655038 -0.60606799 0.28067328 0.31443653 -0.2723837 3.80742648 2.34478047 5.37679424 0.68607821 -5.52884268 -3.9981522 -5.4085342 -0.26879796 -6.17644073 -19.5767819 -31.33197098 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17418-58-5 28531 251919681 Ac C.I. Disperse Red 60 O=C2c1ccccc1C(=O)c3c2c(N)c(cc3O)Oc4ccccc4 Tox21_303924 -NCGC00357097-01 196724810 tox21-ror-cho-viability-p1 set3 4 3.0637858693 11.7328126399 -5.7328126399 6 0.3 0.4184673012 0.2557892704 -3.46084472 -5.11823027 -6.3455065 -5.56658564 2.31777515 -9.3606772 1.83235083 0.49420755 -3.17360028 1.63538538 -2.77431681 1.43216597 -0.09826743 2.93163695 3.82980812 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-28-2 6836 251919957 A 9-Ethylcarbazole CCn3c1ccccc1c2ccccc23 Tox21_303819 -NCGC00260224-01 196724819 tox21-ror-cho-viability-p1 set3 4 -1.34150405 -1.69298343 7.03055712 -5.88710329 6.42647967 -5.87870402 2.08546167 3.13761314 3.95642615 3.68979844 -1.51209921 3.54170018 2.96214299 1.84597797 0.25566382 1.198E-9 2.6779999999E-9 5.988E-9 1.339E-8 2.994E-8 6.6949999999E-8 1.497E-7 3.347E-7 7.485E-7 0.0000016739999999 0.000003742 0.000008368 0.00001871 0.00004184 0.000093559999999 112400-85-8 21988023 144209874 A A 1-Butyl-2-methylpyridinium chloride [Cl-].Cc1cccc[n+]1CCCC Tox21_202676 -NCGC00357250-01 196724820 tox21-ror-cho-viability-p1 set3 4 -4.93483106 -1.52012454 -4.13408143 -7.25327095 -1.23128549 -6.80969615 -3.82679951 -2.2900259 -1.36648045 -2.38819335 -0.3697879 0.62989543 2.55403567 0.97846818 0.09057098 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2497-06-5 17241 251919770 A Disulfoton sulfone O=S(=O)(CCSP(=S)(OCC)OCC)CC Tox21_304043 -NCGC00163771-03 196725220 tox21-ror-cho-viability-p1 set3 4 -0.13304794 -11.92882672 -1.53486566 -3.20367112 -3.08331981 -6.61006029 -6.589272 3.33883503 -2.10400621 -5.86772077 3.15550088 -3.98489393 2.96656322 -6.53829967 2.7270081 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00179364-03 196725236 tox21-ror-cho-viability-p1 set3 4 -3.9857544 -3.52196188 1.56336082 -1.21580924 2.25173308 1.87433558 -1.13675648 1.84282969 -0.53256486 -3.36679771 2.93667419 -3.15384099 0.2970377 1.19352973 -6.12886564 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87771-40-2 3741 170464725 I Ioversol OCC(O)CNC(=O)c1c(I)c(N(CCO)C(=O)CO)c(I)c(c1I)C(=O)NCC(O)CO Tox21_110709_1 -NCGC00091163-03 196714983 tox21-ror-cho-viability-p1 set2 4 0.56202508 -0.27123342 1.04826603 0.49042935 0.21721062 0.79911064 2.14063656 0.20153981 0.55485148 0.90861352 1.15506978 5.72891148 7.04997276 2.92074246 2.40746034 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00254479-01 196714572 tox21-ror-cho-viability-p1 set2 4 0.35817649 2.9802028 3.25878984 -0.70868076 2.18048326 2.03885094 2.34356458 2.835117 -0.90684392 2.22729755 0.03931179 2.2452629 2.00679076 0.40668362 -0.42915852 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 253450-09-8 156328 144210754 A A Besonprodil Fc1ccc(cc1)CC2CCN(CC2)CCS(=O)c3ccc4NC(=O)Oc4c3 Tox21_300436 -NCGC00254241-01 196714581 tox21-ror-cho-viability-p1 set2 4 -3.36881214 -2.43823516 1.49987477 0.40847579 -0.08611818 1.82118737 -0.3916917 0.70550283 -0.08560219 3.71823523 0.78850739 -0.53320333 -4.91352128 1.77726982 0.56954513 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 113734-18-2 18551400 144210757 A A CP-114271 OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c2csc(n2)C(F)(F)F Tox21_300439 -NCGC00090702-02 196714975 tox21-ror-cho-viability-p1 set2 4 76.9588215421 8.893599536 -3.893599536 5 4.9549173134 0.3397119115 0.3337032961 -5.00311368 -6.74662596 -6.53239676 -0.9110729 -1.84186349 -2.67090749 -7.59019817 -2.32360356 -2.20248129 -4.9347193 -8.24466628 -0.94857892 -1.74762233 -4.27325202 2.77840929 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00254290-01 196714984 tox21-ror-cho-viability-p1 set2 4 -4.68354727 1.70681195 -3.98140568 0.88658262 -7.64856563 -5.68272231 -11.20871167 -4.17819372 -1.42285925 -6.04245523 -5.33765754 -9.06518519 -4.59633898 1.27855106 1.78424121 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 4455-26-9 78202 144210686 FC N-Methyldioctylamine CN(CCCCCCCC)CCCCCCCC Tox21_300368 -NCGC00254978-01 196714990 tox21-ror-cho-viability-p1 set2 -2.3 27.3060203028 -100.5436117888 0.9396670499 -99.6039447389 1.24751 0.983633306 0.1784744712 0.23112061 -0.45011136 1.3990203 2.63744557 2.36644201 0.12861097 0.93768688 2.52994004 -0.13007746 3.23144815 -14.28329087 -55.31739222 34.91213027 -57.06255201 -87.37188135 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 133-07-3 8607 144211394 A F Folpet ClC(Cl)(Cl)SN2C(=O)c1ccccc1C2=O Tox21_301077 -NCGC00254651-01 196714991 tox21-ror-cho-viability-p1 set2 4 0.83752715 -6.78233902 -0.00034935 -1.23055559 -2.05343483 -5.76291647 -7.11772216 -7.63357748 -2.62151658 -1.09836983 -8.37594331 -2.51931778 -5.16654027 -3.75050771 1.80504715 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 51235-04-2 39965 144211062 A A Hexazinone CN(C)C2=NC(=O)N(C1CCCCC1)C(=O)N2C Tox21_300745 -NCGC00254963-01 196714993 tox21-ror-cho-viability-p1 set2 4 0.62233687 -1.08355225 -0.79725469 0.98243717 -0.45534982 2.46898403 1.83675355 2.08825319 2.41433171 1.25772304 0.65544127 2.39959664 -0.4465767 -1.96815369 -0.9713251 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103361-09-7 92425 144211378 A A Flumioxazin O=C4C=1CCCCC=1C(=O)N4c2cc3c(cc2F)OCC(=O)N3CC#C Tox21_301061 -NCGC00255000-01 196714994 tox21-ror-cho-viability-p1 set2 4 -3.94059225 -3.01638846 -0.53401317 -0.27651232 -3.25138411 0.09151931 -0.26747583 0.30642725 -0.04347606 0.09894656 0.14396574 2.20963207 2.07333717 0.54163768 0.24417903 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 161050-58-4 105010 144211417 A A Methoxyfenozide Cc1c(cccc1OC)C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C Tox21_301100 -NCGC00254056-01 196714998 tox21-ror-cho-viability-p1 set2 4 1.34633387 -0.45902878 1.85998993 0.64527652 1.34867617 1.08979634 0.05121552 2.13601223 1.17113195 -0.27029027 1.01492281 -2.32730961 0.18106656 2.00258592 1.78034733 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 121-69-7 949 144210356 AC F N,N-Dimethylaniline CN(C)c1ccccc1 Tox21_300036 -NCGC00258409-01 196715397 tox21-ror-cho-viability-p1 set2 4 -0.25000581 1.5613836 1.63704412 0.18693294 2.16712006 0.78490553 0.23051916 2.50155077 2.20808706 -1.6165027 0.80026503 2.78614371 1.49671534 0.96151705 0.49622949 1.188E-9 2.6549999999E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 926-06-7 13551 144208053 D Isopropyl methanesulfonate CC(C)OS(C)(=O)=O Tox21_200855 -NCGC00257848-01 196715399 tox21-ror-cho-viability-p1 set2 4 15.3553036427 20.5857189959 -1.5857189959 19 2.4063783767 0.9332451995 0.0000401738 -3.4840909 0.33389592 0.76969447 -5.90476583 -1.85446191 -3.48016331 -1.40821336 1.53812736 -3.09316227 0.46762571 -0.8865835 1.74968797 11.46961502 16.97997468 18.42051839 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 141-75-3 8855 144207492 D Butyryl chloride CCCC(Cl)=O Tox21_200294 -NCGC00254843-01 196714188 tox21-ror-cho-viability-p1 set2 4 -1.30927914 0.37058474 0.86309311 -2.81492474 2.26584631 -1.7411681 -0.22503285 1.25359997 -0.61091469 -2.96801412 -2.1608772 -3.83493798 -0.33988017 -2.24362137 2.8040511 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-72-9 61016 144211258 FNS 2,6-Dimethylhept-5-enal CC(CC\C=C(\C)C)C=O Tox21_300941 -NCGC00258508-01 196716594 tox21-ror-cho-viability-p1 set2 4 -4.25845965 0.97541918 -3.75449966 2.46470436 1.47629554 -2.49757577 0.92575482 -4.20703809 1.67677145 -5.17488026 -2.39199724 -4.1350046 -3.69420659 1.01425194 0.62361985 1.1689999999E-9 2.6129999999E-9 5.843E-9 1.3069999999E-8 2.922E-8 6.5329999999E-8 1.461E-7 3.2659999999E-7 7.304E-7 0.0000016329999999 0.000003652 0.000008166 0.00001826 0.000040829999999 0.0000913 1445-45-0 15050 144208153 FC 1,1,1-Trimethoxyethane CC(OC)(OC)OC Tox21_200955 -NCGC00257734-01 196716596 tox21-ror-cho-viability-p1 set2 4 4.03093781 5.1281987 2.6157288 5.45563708 2.94511752 5.45751577 2.95337859 3.8117633 3.16474654 3.26365484 1.66091161 5.29250744 3.95204556 4.87808938 4.06723637 1.1699999999E-9 2.6159999999E-9 5.85E-9 1.3079999999E-8 2.925E-8 6.54E-8 1.462E-7 3.27E-7 7.3119999999E-7 0.000001635 0.000003656 0.000008176 0.00001828 0.00004088 0.00009141 32210-23-4 36081 144207378 I 4-tert-Butylcyclohexyl acetate O=C(C)OC1CCC(CC1)C(C)(C)C Tox21_200180 -NCGC00257756-01 196716602 tox21-ror-cho-viability-p1 set2 4 4.45766023 -0.22551574 3.52586252 0.63447676 2.18658496 -0.15567747 2.42247131 0.32543156 2.67108649 4.00720864 -1.54276869 0.53100259 -0.00671942 -4.97595793 2.45687607 1.159E-9 2.591E-9 5.794E-9 1.2959999999E-8 2.8969999999E-8 6.478E-8 1.449E-7 3.239E-7 7.243E-7 0.00000162 0.0000036209999999 0.000008098 0.000018109999999 0.00004049 0.00009053 287-92-3 9253 144207400 FNS Cyclopentane C1CCCC1 Tox21_200202 -NCGC00094818-09 196717009 tox21-ror-cho-viability-p1 set2 4 0.2984929481 -3.191652032 1 -2.191652032 4.9549173134 0.3474616184 0.3277170406 -2.11471105 0.53284751 -0.74340689 0.95163654 0.2206842 -0.45258698 1.46913761 6.99054826 -2.32244818 -1.31729511 -0.35947571 -3.36081412 -1.43468512 -3.49304336 -3.48492763 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84-16-2 192197 170466031 A Hexestrol Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c2ccc(O)cc2 Tox21_110377_1 -NCGC00181124-02 196717025 tox21-ror-cho-viability-p1 set2 4 0.78157763 -4.6069477 -4.0448461 -3.86496559 -3.23238619 -3.93332462 -6.45727632 -0.93693162 -5.24125069 -0.07948262 1.08048207 -0.07469319 0.48985907 -0.27259087 1.87296265 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 90-39-1 644020 170465740 A Sparteine C3CCCN4C[C@@H]2C[C@@H](CN1CCCC[C@H]12)[C@@H]34 Tox21_110386_1 -NCGC00249891-01 196717418 tox21-ror-cho-viability-p1 set2 4 0.7497803863 -6.6030279879 3 -3.6030279879 2.1210667061 0.6180734377 0.0851346093 0.05295818 0.14535112 5.04120576 1.19704322 0.51128996 5.26044218 7.06896624 7.58726078 -0.66167061 -0.58308701 -1.90427029 -2.59630559 -4.26936511 -3.62710764 -4.66918999 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118-23-0 2444 170465292 A A Bromodiphenhydramine Brc1ccc(cc1)C(OCCN(C)C)c2ccccc2 Tox21_113667 -NCGC00253658-01 196717420 tox21-ror-cho-viability-p1 set2 4 4.84419231 -0.04633635 4.72904273 1.94644476 -0.91930483 0.34403155 2.49703344 -0.01244976 0.65540799 -1.53748747 -0.45305178 3.07440015 -0.42927953 1.40326308 1.90745482 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 119356-77-3 71353 170466555 A F Dapoxetine CN(C)[C@@H](CCOc2cccc1ccccc12)c3ccccc3 Tox21_113784 -NCGC00179274-03 196717425 tox21-ror-cho-viability-p1 set2 -2.4 33.4914596268 -32.5091283721 -4.5441924759 -37.053320848 2.3331733767 0.8862029105 0.0006135981 -5.53336487 -2.27478094 -7.31570208 -1.70349373 -2.88703696 -3.82924054 -3.54965166 -8.42670246 -1.93536189 -5.09818151 -5.35836374 -7.30275682 -7.55499355 -10.20181302 -27.54443404 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10310-32-4 5284629 170465999 D Tribenoside O[C@@H]2[C@@H](OCc1ccccc1)[C@H](O[C@H]2OCC)C(COCc3ccccc3)OCc4ccccc4 Tox21_110564_1 -NCGC00018274-05 196717426 tox21-ror-cho-viability-p1 set2 4 1.0590929458 4.2984915439 -3.7984915439 0.5 4.9549173134 0.4158209244 0.2763848428 -6.05997472 -5.8839616 -4.76221523 -1.5768185 -3.315531 -0.85386745 -4.05586412 -0.18944999 -9.41540962 -2.74919216 1.85889173 -1.94395649 -0.24385791 2.99852738 -4.2823601 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13739-02-1 26248 170466475 A Diacerein CC(=O)Oc3cccc2C(=O)c1cc(cc(OC(C)=O)c1C(=O)c23)C(=O)O Tox21_110856_1 -NCGC00015999-19 196717839 tox21-ror-cho-viability-p1 set2 4 26.6032120037 15.3965032239 -2.3965032239 13 2.3531167061 0.6389709559 0.0714399093 -8.24708602 -4.63369645 -3.75152683 -3.22280422 0.8458822 1.49171131 -2.88148378 -3.14640518 -1.26717926 0.59601867 -3.57194227 -2.58427361 0.8090092 2.16482933 9.6597671 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64-77-7 5505 170465238 A Tolbutamide Cc1ccc(cc1)S(=O)(=O)NC(=O)NCCCC Tox21_110279_1 -NCGC00075916-04 196717845 tox21-ror-cho-viability-p1 set2 4 -4.71343065 -0.75169012 -0.89903873 -0.3834093 1.0868565 -5.76211251 0.5735817 -1.1598923 -2.4702756 -2.70382186 0.72387762 1.82652656 -4.51248268 -0.3151228 -1.16049484 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27511-99-5 33925 170466441 A Eterobarb COCN1C(=O)C(CC)(C(=O)N(COC)C1=O)c2ccccc2 Tox21_110991_1 -NCGC00164489-04 196717852 tox21-ror-cho-viability-p1 set2 4 -2.17354418 -2.80604741 -3.64185205 -5.33154791 -2.74766147 0.27488435 1.05461103 -1.78421237 0.31228615 -5.33189309 -0.53484567 -0.37618176 -0.62435938 -3.20897001 -1.1073117 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 490-55-1 10275 170466084 A Amiphenazole Nc2nc(N)sc2c1ccccc1 Tox21_112128_1 -NCGC00258152-01 196715381 tox21-ror-cho-viability-p1 set2 4 -1.94235352 1.65504684 -2.95647341 0.30706354 -1.8415983 -2.31242692 -0.13847038 -3.11297306 -2.16569283 0.37274931 -3.17825427 -2.81555373 1.00664677 -2.93760262 -2.68271298 1.189E-9 2.658E-9 5.9439999999E-9 1.3289999999E-8 2.9719999999E-8 6.646E-8 1.486E-7 3.323E-7 7.4299999999E-7 0.0000016609999999 0.0000037149999999 0.000008307 0.000018579999999 0.00004154 0.000092879999999 155371-19-0 2758873 144207796 A 1-Ethyl-3-methylimidazolium hexafluorophosphate F[P-](F)(F)(F)(F)F.C[n+]1ccn(CC)c1 Tox21_200598 -NCGC00255869-01 196701058 tox21-ror-cho-viability-p1 set1 4 -1.34530665 4.32951075 4.46149277 4.85478849 -2.15763723 4.47484091 -1.00600171 4.53789361 4.47173254 4.61300193 5.43788282 2.92931282 3.24980537 -0.884766 -2.33442363 8.111E-10 1.814E-9 4.055E-9 9.0679999999E-9 2.0279999999E-8 4.5339999999E-8 1.014E-7 2.267E-7 5.069E-7 0.000001133 0.000002535 0.0000056669999999 0.000012669999999 0.00002834 0.00006336 91648-24-7 73854 144211768 F Ac Pentaerythritol allyl ether C=CCOCC(COCC=C)(CO)COCC=C Tox21_301451 -NCGC00091088-05 196700644 tox21-ror-cho-viability-p1 set1 4 0.3857077887 -13.935180696 -1.5 -15.435180696 0.8999999999 0.6970492232 0.0394826458 -6.69732336 -1.06476634 0.18682188 2.0186355 -1.65694962 -4.99636078 -12.07507945 -6.29686379 -2.52458651 -16.46504768 -17.86265058 -12.64047578 -13.95945832 -14.38463773 -16.02051078 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00255460-01 196701044 tox21-ror-cho-viability-p1 set1 4 16.482054995 10.0075404439 -1.0075404439 9 2.4063783767 0.556737096 0.1315007352 -0.21725166 -1.84405307 -0.03267497 -2.08306436 5.12960513 -0.122743 0.05266726 -3.35237799 -5.42295037 0.21088104 -0.22162 0.5009535 -1.22804294 6.65188793 7.56116899 5.81E-10 1.299E-9 2.9049999999E-9 6.496E-9 1.4529999999E-8 3.248E-8 7.263E-8 1.6239999999E-7 3.6309999999E-7 8.12E-7 0.000001816 0.0000040599999999 0.0000090779999999 0.0000203 0.00004539 5908-99-6 656678 144212490 A A Atropine sulfate monohydrate O.CN3[C@H]1CC[C@@H]3C[C@@H](C1)OC(=O)C(CO)c2ccccc2.O=S(=O)(O)O.OCC(c1ccccc1)C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)N3C Tox21_302173 -NCGC00255126-01 196701057 tox21-ror-cho-viability-p1 set1 4 -2.82915906 -1.81748547 -2.35993153 0.01592689 -1.29361051 0.70367266 -2.70716167 -1.3677043 -7.00736425 2.05048782 1.75980661 -1.10573949 -1.94292878 -5.60253756 -6.57892869 1.062E-9 2.374E-9 5.309E-9 1.187E-8 2.654E-8 5.935E-8 1.327E-7 2.968E-7 6.636E-7 0.000001484 0.000003318 0.000007419 0.00001659 0.0000371 0.00008295 33419-42-0 5284558 144212518 A A Etoposide COc1cc(cc(OC)c1O)[C@@H]5c2cc7OCOc7cc2C(O[C@@H]3O[C@@H]4CO[C@@H](C)O[C@H]4[C@H](O)[C@H]3O)C6COC(=O)[C@H]56 Tox21_302201 -NCGC00255391-01 196701060 tox21-ror-cho-viability-p1 set1 -2.4 76.9588215421 -24.7078621359 -3.156661528 -27.8645236639 4.9549173134 0.8156735151 0.0056697305 -4.04012797 -1.63430071 -9.20797534 -4.66345805 -3.89834097 -4.85695278 -2.39026363 -3.27271579 -0.55204323 -0.6822304 -3.96967422 -0.54721794 -4.1949527 -3.08937601 -21.55376972 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2492-26-4 3714831 144211819 A A Sodium 2-mercaptobenzothiolate [Na+].[S-]c1nc2ccccc2s1 Tox21_301502 -NCGC00256276-01 196701457 tox21-ror-cho-viability-p1 set1 4 21.6899429044 12.9754864359 -3.9754864359 9 0.7999999999 0.67786009 0.0492206887 -4.02480158 -7.47957203 -7.09937369 -6.15809665 -0.91417978 1.06193227 -3.37977453 -4.06428144 -0.00733954 -4.38826035 -1.08199709 -0.75558719 1.83371984 4.58899905 6.40240067 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-02-0 7170 144212643 A A Ethyl benzoylacetate O=C(CC(=O)OCC)c1ccccc1 Tox21_302326 -NCGC00255872-01 196701466 tox21-ror-cho-viability-p1 set1 4 3.13839887 2.55860188 4.00025046 -0.63786704 3.89455418 1.54492509 2.19585885 -1.32949828 -1.46580212 1.48992239 0.40251178 2.48283592 1.537189 -0.84214491 0.24627134 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-07-8 67322 144212406 A 2,2',2'',2'''-(1,2-Ethanediyldinitrilo)tetrakisethanol OCCN(CCN(CCO)CCO)CCO Tox21_302089 -NCGC00182993-01 196697734 tox21-ror-cho-viability-p1 set1 4 0.8412674301 4.9133343519 -2.4133343519 2.5 4.9549173134 0.5518662841 0.1359462241 -4.20142346 -2.8020606 -8.26111196 -0.1995491 0.33384318 -0.23183281 -2.77429523 -2.2817611 -3.21997387 0.00436275 2.92319318 1.4548085 2.78982748 0.28504654 4.23333669 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103725-47-9 185457 144206816 A A Betiatide O=C(O)CNC(=O)CNC(=O)CNC(=O)CSC(=O)c1ccccc1 Tox21_113265 -NCGC00357091-01 196723898 tox21-ror-cho-viability-p1 set3 4 23.7101376556 23.283977104 -7.283977104 16 0.2 0.3964888422 0.2758659354 -12.31998092 2.98328483 -1.02876906 -7.54127355 1.75171875 -3.85577295 -0.58892995 -1.73260862 -0.58986771 -1.67721459 2.27675421 1.01970579 0.44089051 10.42888886 3.19481646 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67233-85-6 3017748 251919729 F Sodium 2-methoxy-5-nitrophenolate [Na+].[O-]c1cc(ccc1OC)[N+]([O-])=O Tox21_303810 -NCGC00260364-01 196723899 tox21-ror-cho-viability-p1 set3 4 0.0087932249 7.6387685199 -4.6387685199 3 4.9549173134 0.5094393326 0.1711997685 -6.7823071 -0.75245045 -5.9315746 4.85170911 3.59436564 2.82145908 1.01721546 4.13064912 4.28567378 -1.59219019 -1.04555537 2.62059665 3.27374191 0.81940793 8.89374593 1.198E-9 2.6779999999E-9 5.988E-9 1.339E-8 2.994E-8 6.6949999999E-8 1.497E-7 3.347E-7 7.485E-7 0.0000016739999999 0.000003742 0.000008368 0.00001871 0.00004184 0.000093559999999 27072-45-3 18730 144210016 F F Fluorescein 5(6)-isothiocyanate Oc4cc5Oc1cc(O)ccc1C3(OC(=O)c2cc(\N=C=S)ccc23)c5cc4 Tox21_202818 -NCGC00257295-01 196726896 tox21-ror-cho-viability-p1 set3 4 0.0015355304 17.271131024 -18.271131024 -1 4.9549173134 0.8543894772 0.0020012677 -15.22594252 0 -1.94819893 -1.60347095 0 -2.40475968 0 0 -2.44359369 0 0 -1.78304048 -4.18662461 -0.87133647 1.42072188 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-66-3 8205 144213769 A Fc Dodecyl acetate CC(=O)OCCCCCCCCCCCC Tox21_303459 -NCGC00257381-01 196726487 tox21-ror-cho-viability-p1 set3 4 3.14029631 1.24173416 0.91215195 1.59655884 0.75599865 3.13685326 0.66561424 -1.58688617 3.42838365 0.76188555 2.16477988 -1.10040085 1.55860577 0.18493707 1.25447938 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17689-77-9 87244 144213724 F Fns Ethyltriacetoxysilane O=C(C)O[Si](OC(C)=O)(OC(=O)C)CC Tox21_303413 -NCGC00256454-01 196726887 tox21-ror-cho-viability-p1 set3 4 0.0048557734 6.6651187919 -5.6651187919 1 4.9549173134 0.5690306205 0.1220316469 -1.43942801 -10.55426566 0.0950159 2.50254974 0.6261622 2.44111747 2.93890326 0.90505059 0.13721777 0.14250704 0.73829471 2.10421681 0.48924522 -1.32581236 1.91089536 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 108-01-0 7902 144213161 Ac Dimethylaminoethanol CN(C)CCO Tox21_302844 -NCGC00256962-01 196726889 tox21-ror-cho-viability-p1 set3 4 1.79397637 0.7522108 -2.80234292 -2.73264734 -1.28054758 -0.95117304 0.73237499 -0.73272356 0 -2.63522676 -2.81120332 -1.96207898 0.96869551 -0.46990245 -0.00840475 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-16-5 5365125 144213571 A Fc Bis(2-ethylhexyl) maleate O=C(\C=C/C(=O)OCC(CC)CCCC)OCC(CCCC)CC Tox21_303254 -NCGC00257433-01 196726897 tox21-ror-cho-viability-p1 set3 -2.1 27.3060203028 -69.1690149974 1.0120858929 -68.1569291045 2.3031167061 0.9957859337 0 2.93776341 0.96960972 0.20464511 0.56184265 0.83036344 0.79350805 2.55297145 -0.18197345 0.50420651 2.8434042 1.99194204 -2.2019097 -20.80345157 -49.05561172 -66.82051873 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135-57-9 67271 144213776 A A 2,2'-Dibenzoylaminodiphenyl disulfide O=C(Nc3ccccc3SSc2ccccc2NC(=O)c1ccccc1)c4ccccc4 Tox21_303466 -NCGC00257162-01 196727729 tox21-ror-cho-viability-p1 set3 4 8.00256499 1.41713797 3.25345161 2.08817315 4.21296108 3.43444651 2.82592179 3.98441977 1.65304277 3.20917412 6.31295005 5.16362113 2.62106524 4.71842868 2.59953839 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-02-7 31279 144213456 Fns Diallylamine C=CCNCC=C Tox21_303139 -NCGC00257037-01 196727731 tox21-ror-cho-viability-p1 set3 4 -1.6380737 -0.03104787 2.765301 0.99827436 1.46299503 1.89741657 9.82107802 8.11748551 8.92809032 2.86348113 -1.19599028 0.4115323 0.18021258 2.14051612 10.0533341 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 634-66-2 12463 144213589 A Ac 1,2,3,4-Tetrachlorobenzene Clc1ccc(Cl)c(Cl)c1Cl Tox21_303272 -NCGC00256649-01 196727736 tox21-ror-cho-viability-p1 set3 4 -2.65868824 -0.67364013 -0.36839119 1.97288762 -0.68420927 -0.31752685 -4.80410158 -4.4062099 -3.83195472 0 0 -2.66835033 2.3146562 -4.87950639 -2.20168322 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 1638-22-8 15420 144212911 A A 4-Butylphenol Oc1ccc(CCCC)cc1 Tox21_302594 -NCGC00163724-03 196727739 tox21-ror-cho-viability-p1 set3 4 -0.71175893 -1.10643899 -9.54842146 -0.05664719 -21.37268754 -18.2320191 0 0 -0.94575459 -0.48476987 -2.0506909 -18.41102772 -4.02825064 -6.40698223 -14.68951019 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00255868-01 196727818 tox21-ror-cho-viability-p1 set3 4 1.21192284 0.20259378 1.93414169 -1.63452151 3.97508717 -1.10303249 2.04277475 4.13877817 1.16945798 2.09062857 2.61343978 1.14153621 4.14899426 4.18202962 3.56669356 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 926-39-6 70223 144212362 A 2-Aminoethyl hydrogen sulfate O=S(=O)(O)OCCN Tox21_302045 -NCGC00255604-01 196727803 tox21-ror-cho-viability-p1 set3 4 9.6786896923 -19.829249464 13.5 -6.329249464 0.4999999999 0.4729593246 0.2028399126 1.60907824 22.09172103 11.18781306 14.31009282 18.78552746 13.62415917 10.07230372 2.09659934 10.08485678 12.66390325 6.14865917 0.45264649 6.15590983 -1.94104122 -1.18603747 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 48145-04-6 39485 144212040 Z Z 2-Phenoxyethyl acrylate C=CC(=O)OCCOc1ccccc1 Tox21_301723 -NCGC00256284-01 196727808 tox21-ror-cho-viability-p1 set3 -3 76.9588215421 -40.5811129115 -1.5 -42.0811129115 4.9549173134 0.7278952469 0.0267706428 0.51766046 -3.72843055 -4.14507831 6.21630067 -1.72897615 -6.84627483 -11.1119578 -7.7498592 -1.35142593 -1.44705118 4.01563183 4.96408841 -3.2611902 1.30884703 -33.39770866 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3407-42-9 103005 144212093 Z F 3-(5,5,6-Trimethylbicyclo[2.2.1]hept-2-yl)cyclohexanol OC1CC(CCC1)C2CC3CC2C(C)C3(C)C Tox21_301776 -NCGC00255901-01 196727810 tox21-ror-cho-viability-p1 set3 4 6.0944112289 -9.57376528 4.5 -5.07376528 4.9549173134 0.3083582916 0.3742831285 6.88856746 11.5790446 -2.57597305 -1.7183753 -1.82798368 10.47069181 0.51189302 13.27658157 4.34096144 -2.39194638 9.60454431 -7.1448044 -3.75209336 -3.69770725 11.01352699 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 71-91-0 6285 144212455 Ac Tetraethylammonium bromide [Br-].CC[N+](CC)(CC)CC Tox21_302138 -NCGC00257966-01 196716230 tox21-ror-cho-viability-p1 set2 4 1.8513933 -0.55803721 1.5993792 -1.86473324 -1.48674535 0.12697737 -0.14982149 1.83615679 -0.24719681 -1.12568097 1.67275954 0.912862 -1.38692487 1.54016338 1.87961931 1.1859999999E-9 2.653E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001854 0.00004145 0.00009268 88-68-6 6942 144207610 A A 2-Aminobenzamide O=C(N)c1ccccc1N Tox21_200412 -NCGC00257857-01 196715811 tox21-ror-cho-viability-p1 set2 4 0.15380416 -2.49345941 -7.6731157 -1.96520156 -0.95091175 -0.91076886 0.57203898 1.77588281 -1.10076585 -0.96064647 -1.56260824 -0.25190269 -1.63382005 -1.63727008 1.32272481 1.183E-9 2.644E-9 5.913E-9 1.322E-8 2.9559999999E-8 6.611E-8 1.4779999999E-7 3.305E-7 7.3909999999E-7 0.0000016529999999 0.0000036949999999 0.000008263 0.00001848 0.00004132 0.00009239 20702-77-6 30231 144207501 A A Neohesperidin dihydrochalcone COc1ccc(cc1O)CCC(=O)c2c(O)cc(cc2O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O Tox21_200303 -NCGC00257587-01 196715817 tox21-ror-cho-viability-p1 set2 4 -2.49616283 -0.76152208 -4.95237126 -5.11037379 -0.44342112 0.83433391 -3.56683448 0.56212464 0.52993053 -2.11019749 -2.12031344 0.80809334 -3.17328211 0.71977212 2.58535461 1.191E-9 2.664E-9 5.9569999999E-9 1.332E-8 2.978E-8 6.66E-8 1.489E-7 3.33E-7 7.446E-7 0.000001665 0.0000037229999999 0.0000083249999999 0.00001861 0.00004162 0.000093069999999 302-15-8 165286 144207231 F Methylhydrazine sulfate CNN.O=S(=O)(O)O Tox21_200033 -NCGC00091830-04 196716223 tox21-ror-cho-viability-p1 set2 4 2.96043383 2.40531134 5.15048241 1.89005959 5.07311462 3.14720036 2.42358742 0.98899105 4.10236289 0.92236313 0.59990358 -1.58504755 3.92063459 1.9650902 -1.70566859 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00258513-01 196716231 tox21-ror-cho-viability-p1 set2 4 -1.48750992 -1.12092541 -3.01557541 0.0271627 -0.15398401 0.14655216 -7.33095076 -1.74284534 0.82961729 -0.35682056 -2.47600252 -2.11506475 -1.68034513 -2.468275 0.85559176 1.164E-9 2.603E-9 5.8199999999E-9 1.301E-8 2.91E-8 6.506E-8 1.4549999999E-7 3.253E-7 7.274E-7 0.0000016269999999 0.0000036369999999 0.0000081329999999 0.00001819 0.00004067 0.00009093 110-86-1 1049 144208158 FC Pyridine c1ccccn1 Tox21_200960 -NCGC00257844-01 196716234 tox21-ror-cho-viability-p1 set2 -3 68.3804186691 -66.3766277416 0.350331296 -66.0262964456 4.9549173134 0.9666989884 8.771E-7 -2.68440121 -0.31328668 -1.7952984 -3.05347498 2.04659719 0.59467191 0.3793615 0.54245005 -3.38899089 1.03032872 1.65018366 0.72574612 2.11073748 2.07098394 -54.38594956 1.177E-9 2.6319999999E-9 5.884E-9 1.316E-8 2.942E-8 6.579E-8 1.471E-7 3.29E-7 7.356E-7 0.000001645 0.0000036779999999 0.000008224 0.00001839 0.000041119999999 0.000091939999999 12789-03-6 5993 144207488 FC Technical chlordane ClC2=C(Cl)C3(Cl)C1CC(Cl)C(Cl)C1C2(Cl)C3(Cl)Cl Tox21_200290 -NCGC00258760-01 196716238 tox21-ror-cho-viability-p1 set2 4 0.96688157 -0.66119499 -2.02439359 -0.91762538 -2.04502641 -0.32859197 -4.49303314 -2.79873664 -0.55581838 -2.53190009 -3.24281776 -3.68478783 -1.44948774 -2.92041789 -0.98740041 1.216E-9 2.719E-9 6.08E-9 1.36E-8 3.04E-8 6.7979999999E-8 1.5199999999E-7 3.3989999999E-7 7.5999999999E-7 0.000001699 0.0000037999999999 0.000008497 0.000018999999999 0.00004249 0.000094999999999 5407-04-5 94308 144208406 A A Dimethylaminopropyl chloride hydrochloride Cl.ClCCCN(C)C Tox21_201208 -NCGC00258535-01 196716246 tox21-ror-cho-viability-p1 set2 4 -2.83718568 -0.70919483 -2.36364562 -0.46434084 -0.31453549 -2.14281537 -1.86479841 0.01110368 -2.53550352 -0.63937186 -0.49368269 0.46147319 -0.42516723 -1.78930579 1.77399019 1.187E-9 2.6549999999E-9 5.937E-9 1.3279999999E-8 2.968E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.421E-7 0.000001659 0.0000037109999999 0.000008297 0.00001855 0.00004149 0.00009276 111-18-2 8097 144208180 BC Fns N,N,N',N`-Tetramethylhexanediamine CN(C)CCCCCCN(C)C Tox21_200982 -NCGC00258738-01 196716638 tox21-ror-cho-viability-p1 set2 -2.2 61.8773215692 -40.849453216 0 -40.849453216 1.98874246 0.9553464414 0.0000045324 1.59207003 0.64569288 -0.2761156 0.05791211 1.24278308 0.83969404 0.10522706 0.03610825 0.96276196 -0.55240057 2.18558608 -2.64054734 -7.5489524 -10.30278783 -30.70787768 1.1919999999E-9 2.6659999999E-9 5.962E-9 1.333E-8 2.981E-8 6.6649999999E-8 1.49E-7 3.3329999999E-7 7.452E-7 0.0000016659999999 0.000003726 0.000008332 0.00001863 0.00004166 0.00009315 517-28-2 320930 144208384 A A Hematoxylin Oc2cc3C[C@]4(O)COc1c(O)c(O)ccc1[C@@H]4c3cc2O Tox21_201186 -NCGC00258598-01 196715435 tox21-ror-cho-viability-p1 set2 -2.2 59.8273991278 -77.4196251466 1.615300951 -75.8043241956 2.3531167061 0.9481835765 0.0000102173 6.41947216 1.31230896 1.42029087 5.43607512 3.01811443 -1.29584244 0.45392788 0.39897804 5.07511898 2.29736629 4.41939599 -1.85774719 -12.00581395 -16.59594587 -57.42751833 1.159E-9 2.592E-9 5.797E-9 1.2959999999E-8 2.898E-8 6.481E-8 1.449E-7 3.241E-7 7.246E-7 0.00000162 0.000003623 0.000008101 0.00001812 0.00004051 0.000090579999999 7757-82-6 24436 144208243 Sodium sulfate anyhdrous [Na+].[Na+].[O-]S([O-])(=O)=O Tox21_201045 -NCGC00254382-01 196715017 tox21-ror-cho-viability-p1 set2 4 2.82806153 2.12091506 -1.11222412 -1.01786885 3.18036801 -0.95851419 0.04181894 3.22384859 1.73346735 0.08673896 1.20154123 2.71681431 -1.55637021 -0.29696604 -3.10340824 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 402910-27-4 9969177 144210772 A A UK-416244 Cc1cc(ccc1SC)Oc2ccc(cc2CN(C)C)S(N)(=O)=O Tox21_300454 -NCGC00254654-01 196715020 tox21-ror-cho-viability-p1 set2 -1.1 1.5355303643 -74.6606938498 0.6343303539 -74.0263634959 2.7202212143 0.9906585762 6E-10 0.12473396 -1.27211197 3.07673026 1.86501636 0.01913003 -0.6170264 2.20230636 1.3297282 -12.2083049 -37.88054258 -68.2020349 -80.5799662 -74.83721369 -73.14699883 -66.05784475 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-65-7 4477 144211066 A Ac Niclosamide Clc2cc(ccc2NC(=O)c1cc(Cl)ccc1O)[N+]([O-])=O Tox21_300749 -NCGC00257424-01 196718675 tox21-ror-cho-viability-p1 set2 4 0.13306787 2.80787056 0.24617139 1.89495293 0.7277504 3.1858772 0.96193393 5.89101721 0.94463338 5.36574323 6.83435565 0.01634102 0.01501735 -0.19265508 0.98421795 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 143-74-8 4766 144213875 A C Phenol red Oc1ccc(cc1)C3(OS(=O)(=O)c2ccccc23)c4ccc(O)cc4 Tox21_303570 -NCGC00257317-01 196718250 tox21-ror-cho-viability-p1 set2 4 -4.0878801 -2.06195308 1.17459413 -4.68202756 -5.74298454 -7.81752925 -9.19131398 -8.25498669 -7.76349822 -5.1952295 -0.06967593 -3.57405547 -3.95332747 -2.73441052 2.02839224 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1470-79-7 73852 144213797 A A 2,4,4'-Trihydroxybenzophenone O=C(c1ccc(O)cc1O)c2ccc(O)cc2 Tox21_303488 -NCGC00091759-02 196718674 tox21-ror-cho-viability-p1 set2 4 -2.73208939 -5.46804945 -5.08199584 0.25402471 0.06022714 -5.46038463 -1.51578747 -1.21463707 -8.64904372 -7.45474865 -1.44924284 -1.004544 -6.16365882 -3.57887886 -7.47483825 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00257374-01 196718683 tox21-ror-cho-viability-p1 set2 4 0.76924773 3.71771031 2.35067718 6.86695085 -1.67870446 1.48242591 1.72888515 -0.30926064 -0.88820634 1.76600785 -1.46894145 6.07792805 4.82024872 7.21109916 0.74689444 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-18-3 66597 144213882 Ac Ac 4-tert-Butylphenyl salicylate Oc2ccccc2C(=O)Oc1ccc(cc1)C(C)(C)C Tox21_303577 -NCGC00163843-03 196718685 tox21-ror-cho-viability-p1 set2 4 -0.31721567 0.37256443 0.24736797 4.69279742 2.07765762 1.99842088 -0.08785316 1.14466569 1.70866919 1.11489539 5.02867404 2.00955635 0.82533514 2.37504177 1.85614649 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00257290-01 196718686 tox21-ror-cho-viability-p1 set2 -1.1 0.968854161 -75.1056447379 -1.829977486 -76.9356222239 2.4063783767 0.9936815166 1E-10 -4.09008909 0.43823097 -0.09838252 -3.21746468 1.50753206 -5.54427125 -3.85761564 -7.63342404 -22.93341787 -66.46513754 -74.89108536 -75.23958097 -76.48462107 -76.7922428 -73.43763837 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4342-36-3 16682834 144213707 F A Tributyltin benzoate CCCC[Sn](OC(=O)c1ccccc1)(CCCC)CCCC Tox21_303395 -NCGC00257109-01 196718690 tox21-ror-cho-viability-p1 set2 4 1.98897245 0.31339582 -1.58092413 3.40300546 2.7993458 4.73814707 2.7293357 5.84688708 2.8787711 4.72988149 2.58027547 4.40111806 2.03608512 5.5636562 1.99729497 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 0.000091709999999 108-80-5 7956 144213509 F Ac Cyanuric acid Oc1nc(O)nc(O)n1 Tox21_303192 -NCGC00255053-01 196719523 tox21-ror-cho-viability-p1 set3 4 0.0243365162 -21.0356049479 19 -2.0356049479 0.3 0.5327421084 0.1499966749 14.4196346 14.33484593 12.2229078 1.48933559 2.53767752 14.11938189 3.68848567 9.99237178 4.16123507 -2.13571897 5.32379767 -2.31977641 4.26945288 -0.62607017 -2.52967079 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 28249-77-6 34192 144211472 A A Thiobencarb Clc1ccc(CSC(=O)N(CC)CC)cc1 Tox21_301155 -NCGC00090701-06 196719541 tox21-ror-cho-viability-p1 set3 4 0.0034376243 13.987411968 -15.487411968 -1.5 1.0999999999 0.6604247629 0.0586516552 -10.52332656 -14.15617664 -3.96316709 -2.03608886 -3.62544593 -4.07341396 -2.26206055 0.39205715 -4.04149962 1.21808821 -0.75258866 -2.97024168 -3.20531273 -4.6257032 1.11056014 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00274082-01 196717444 tox21-ror-cho-viability-p1 set2 4 0.74678295 1.95828522 1.20800531 2.70310446 0.82289741 4.52672913 4.34669732 3.03818915 3.06561564 -0.04925931 2.06910014 0.06362633 1.1711818 -0.01274256 2.84983693 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 151-21-3 3423265 170465474 F Sodium dodecyl sulfate [Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC Tox21_111059_1 -NCGC00257635-01 196716633 tox21-ror-cho-viability-p1 set2 4 -2.30443554 -4.07331813 -4.60422273 -1.96100351 -1.71512058 0.69772098 -2.14929147 -1.63949854 -1.43265737 -0.75819808 -1.98479024 -0.50194513 -4.51835548 -0.85056014 -0.15012306 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.305E-7 7.3889999999E-7 0.0000016519999999 0.0000036949999999 0.000008262 0.000018469999999 0.00004131 0.00009237 3302-10-1 90960 144207279 A A 3,5,5-Trimethylhexanoic acid CC(CC(C)(C)C)CC(=O)O Tox21_200081 -NCGC00253639-01 196717032 tox21-ror-cho-viability-p1 set2 4 -1.16209138 -1.42959233 1.70264834 0.56680798 1.93315718 -1.75944192 -1.87590704 1.86206663 2.57477396 -0.48011367 4.28937279 4.06455548 1.51492772 1.19684483 -0.03509625 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2380-94-1 75421 170466680 A A 4-Hydroxyindole Oc2cccc1nccc12 Tox21_113766 -NCGC00164581-02 196717048 tox21-ror-cho-viability-p1 set2 4 0.41813168 0.3471644 1.5769734 1.95752338 1.44051638 1.24150408 0.88413547 2.02922666 0.76803518 0.24524498 -0.86613297 -2.16845461 3.26952634 1.16176727 -6.65649579 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2998-57-4 259331 170466403 F Estramustine ClCCN(CCCl)C(=O)Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)CC[C@@H]12)c4cc3 Tox21_112207_1 -NCGC00257982-01 196702718 tox21-ror-cho-viability-p1 set1 4 -5.21195763 0.19102035 -0.40482174 -0.61514163 -6.6562743 2.63804925 0.53813271 0.29500655 -1.18620175 2.71104429 0.45949695 -6.04130452 0.27615998 2.89974845 -4.21773851 1.19E-9 2.661E-9 5.95E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003719 0.000008315 0.00001859 0.00004157 0.000092959999999 88-51-7 6935 144207626 A A 2-Amino-4-chloro-5-methylbenzenesulfonic acid Cc1cc(c(N)cc1Cl)S(=O)(=O)O Tox21_200428 -NCGC00258471-01 196702299 tox21-ror-cho-viability-p1 set1 4 -3.22419024 -5.8151409 0.16487061 0.69599188 1.40768731 -12.7843796 0.79414365 -16.4286365 -5.13511241 0.19790902 -2.75843526 4.75745612 -5.27792564 0.63064877 0.79445888 1.2049999999E-9 2.694E-9 6.0249999999E-9 1.347E-8 3.012E-8 6.736E-8 1.506E-7 3.368E-7 7.5309999999E-7 0.0000016839999999 0.000003766 0.0000084199999999 0.000018829999999 0.0000421 0.000094139999999 611-23-4 11909 144208115 FC 2-Nitrosotoluene Cc1ccccc1N=O Tox21_200917 -NCGC00258319-01 196702702 tox21-ror-cho-viability-p1 set1 4 27.8344740659 -10.235787076 0.5 -9.735787076 4.9549173134 0.48777399 0.2082776571 1.58098145 2.02599352 -0.58302254 1.78834813 -7.43653927 -0.52800035 -0.64079995 0.68971406 3.53974839 1.30625191 0.95566092 2.50985191 -0.65734103 -8.94648923 0.77002431 1.1989999999E-9 2.6819999999E-9 5.997E-9 1.3409999999E-8 2.999E-8 6.705E-8 1.4989999999E-7 3.352E-7 7.496E-7 0.000001676 0.000003748 0.000008381 0.000018739999999 0.00004191 0.00009371 2304-30-5 75311 144207963 A A Tetrabutylphosphonium chloride [Cl-].CCCC[P+](CCCC)(CCCC)CCCC Tox21_200765 -NCGC00244580-01 196702708 tox21-ror-cho-viability-p1 set1 4 34.3762428541 -20.119197916 1.5 -18.619197916 1.1340999999 0.7282538721 0.026772032 0.38902421 0.68042036 -0.26496825 -3.25083758 5.06858921 3.3119398 1.82028103 2.59473748 2.69511244 -0.21512751 1.03420033 -0.37587299 -10.69910561 -3.86600192 -17.18266493 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00260336-01 196703124 tox21-ror-cho-viability-p1 set1 4 0.0437269115 -13.113885572 0 -13.113885572 0.8999999999 0.783167372 0.0111465277 0.19012884 -0.5845648 0.10418906 -0.10825231 0.31756667 -3.99328444 -0.37290351 -8.55381875 0.20136445 -14.26157131 -11.30168678 -9.68941591 -12.41854388 -13.97357 -12.6060745 7.367E-11 1.6469999999E-10 3.684E-10 8.237E-10 1.842E-9 4.118E-9 9.209E-9 2.059E-8 4.605E-8 1.03E-7 2.3019999999E-7 5.148E-7 0.000001151 0.000002574 0.000005756 632-99-5 12447 144209988 F C.I. Basic Violet 14 Cl.N=C1C=C/C(C=C1)=C(\c2ccc(N)c(C)c2)c3ccc(N)cc3 Tox21_202790 -NCGC00260337-01 196703128 tox21-ror-cho-viability-p1 set1 -1.2 15.6054902114 -49.68436557 -2.925765944 -52.610131514 1.4641 0.9616595925 0.0000019346 -0.0559 -0.15552617 -4.15332487 0.03295011 -2.54428707 -4.80813112 -9.67682719 0.68937799 -8.57055321 -1.75499814 -8.61679136 -15.23405414 -33.22804308 -41.06948167 -48.56828145 1.196E-9 2.6749999999E-9 5.981E-9 1.337E-8 2.9899999999E-8 6.6869999999E-8 1.4949999999E-7 3.3429999999E-7 7.476E-7 0.0000016719999999 0.0000037379999999 0.0000083589999999 0.00001869 0.00004179 0.00009345 6385-58-6 22882 144209989 A A Sodium bithionolate [Na+].[Na+].[O-]c2c(Sc1cc(Cl)cc(Cl)c1[O-])cc(Cl)cc2Cl Tox21_202791 -NCGC00254546-01 196698987 tox21-ror-cho-viability-p1 set1 4 -1.50302472 -4.24449928 -1.39218401 -3.73524686 -0.38489443 1.96265773 1.32078568 -1.16459815 0.68655361 1.47657701 1.33906275 -0.54471643 -3.87473127 -3.18864895 3.49160294 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 150-68-5 8800 144210685 A A Monuron Clc1ccc(NC(=O)N(C)C)cc1 Tox21_300367 -NCGC00023939-11 196698588 tox21-ror-cho-viability-p1 set1 4 1.15988981 1.51252817 2.20984685 1.34291162 4.03269782 1.97826782 2.23191171 4.15575359 0.5990864 0.28968529 0.49274616 0.48484502 1.84665864 -0.52435203 1.33587919 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53-06-5 222786 170466316 A Cortisone OCC(=O)[C@@]3(O)CC[C@H]2[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4C(=O)C[C@@]23C Tox21_111539_1 -NCGC00164245-03 196698589 tox21-ror-cho-viability-p1 set1 4 29.8492948118 -12.200603956 0 -12.200603956 4.5044702849 0.682129244 0.0473886012 -0.65183287 -0.16686806 -3.89163688 1.05565994 -2.15975147 1.46641531 -1.48423163 2.45910458 -1.74881486 1.84936364 2.30021057 2.28352677 -1.00853216 -1.81224572 -10.58383663 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7281-04-1 23705 170466126 A Benzyldodecyldimethylammonium bromide [Br-].C[N+](C)(Cc1ccccc1)CCCCCCCCCCCC Tox21_113091_1 -NCGC00254503-01 196698984 tox21-ror-cho-viability-p1 set1 -2.1 54.4826732819 -78.7836796612 -0.352146656 -79.1358263172 2.2481167061 0.9894610199 1.1E-9 -2.89545017 2.43371935 0.11444696 -2.49761669 0.29441445 -1.21171144 1.82675845 -3.44008237 -0.05928037 -0.90861403 1.50171554 -1.46909733 -6.69036315 -26.60193302 -61.08774721 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52-86-8 3559 144210793 A A Haloperidol Fc1ccc(cc1)C(=O)CCCN2CCC(O)(CC2)c3ccc(Cl)cc3 Tox21_300475 -NCGC00254471-01 196698991 tox21-ror-cho-viability-p1 set1 -1.1 17.2289340586 -92.0504579389 1.8108658239 -90.239592115 4.9549173134 0.9965553991 0 1.58201913 -0.59451918 1.42087996 0.79811313 0.85386722 0.33544331 4.62182017 -0.65129749 2.59512049 2.67938101 3.99002339 1.49613011 -50.71800572 -92.26952159 -87.33682052 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 484-17-3 10229 144210935 C C 9-Phenanthrol Oc2cc3ccccc3c1ccccc12 Tox21_300618 -NCGC00254962-01 196698999 tox21-ror-cho-viability-p1 set1 4 0.97040477 4.55745881 -0.31993057 0.80061588 -0.53986541 0.77108181 -4.1950903 3.72894966 3.49769528 -0.25151888 0.14650849 0.45349038 -0.23752322 -4.04675196 -5.34870491 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 82-68-8 6720 144211377 Pentachloronitrobenzene Clc1c(c(Cl)c(Cl)c(Cl)c1Cl)[N+]([O-])=O Tox21_301060 -NCGC00255858-01 196729067 tox21-ror-cho-viability-p1 set3 4 1.69599288 -5.34726314 -1.47643327 2.09956051 13.04997176 0.43849721 0.84659179 1.83574576 3.30699272 1.15582801 6.95722884 -2.18597445 0.02391854 -4.06172297 -4.77857515 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52756-22-6 40520 144211880 A A Flamprop-isopropyl Fc1ccc(cc1Cl)N(C(=O)c2ccccc2)C(C)C(=O)OC(C)C Tox21_301563 -NCGC00258078-01 196729393 tox21-ror-cho-viability-p1 set3 4 -0.05448749 -0.86219972 -3.91486901 -3.24322661 -2.58672721 -6.84638069 -5.11768008 -2.88360361 -3.42249953 -2.54031845 -4.90026262 -3.64755647 -4.24218184 0.70425704 -0.02464255 1.171E-9 2.617E-9 5.8529999999E-9 1.3089999999E-8 2.926E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.316E-7 0.0000016359999999 0.000003658 0.00000818 0.00001829 0.0000409 0.00009145 597-43-3 11701 144207722 A A 2,2-Dimethylbutanedioic acid CC(C)(CC(O)=O)C(=O)O Tox21_200524 -NCGC00258601-01 196729394 tox21-ror-cho-viability-p1 set3 4 -1.20448034 1.24572903 2.2769722 0.68912209 2.32935721 2.50224835 2.04712904 0.59346988 5.93106447 -0.07735435 1.7350775 0.79024723 -0.4526116 -2.38065578 0.74688625 1.141E-9 2.552E-9 5.707E-9 1.276E-8 2.854E-8 6.381E-8 1.4269999999E-7 3.19E-7 7.134E-7 0.000001595 0.000003567 0.000007976 0.00001784 0.00003988 0.00008918 822-36-6 13195 144208246 A A 4-Methylimidazole Cc1cncn1 Tox21_201048 -NCGC00258268-01 196729395 tox21-ror-cho-viability-p1 set3 4 27.5561300424 8.996497892 1.503502108 10.5 0.7999999999 0.4756083841 0.203326245 2.84588894 0.2324156 5.24787107 3.40557098 -0.88183951 0.19553018 -2.08041491 3.11034238 2.65182002 5.31135898 -0.74398285 3.88401028 7.17830529 6.29853509 7.97761802 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.000092909999999 7795-95-1 82261 144207912 A A 1-Octanesulfonyl chloride ClS(=O)(=O)CCCCCCCC Tox21_200714 -NCGC00091602-02 196728646 tox21-ror-cho-viability-p1 set3 4 -0.39405434 -4.70740043 -2.73148363 -1.93446905 -2.12842023 -0.06591742 8.59849589 -1.53565577 -1.61903836 -3.63270148 -8.76602394 -2.37202997 -2.23795997 -3.86813615 -7.13653523 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00255655-01 196729050 tox21-ror-cho-viability-p1 set3 4 3.6147392 -4.07250166 8.98965243 2.75355569 9.67677936 9.47416391 -2.22298608 15.66254833 17.34849639 -0.53942902 -5.66355315 9.99073214 5.6644696 -5.63115531 -9.01791469 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1120-04-3 23673604 144212701 A Octadecyl sulfate sodium salt [Na+].[O-]S(=O)(=O)OCCCCCCCCCCCCCCCCCC Tox21_302384 -NCGC00091278-03 196729052 tox21-ror-cho-viability-p1 set3 4 2.1689942904 17.0024690919 -6.5024690919 10.5 4.9549173134 0.6712867683 0.0625258501 0.61106274 -0.45324983 2.1990367 -13.33539091 -12.05205091 -12.67619169 -12.75196417 -3.5775673 -7.03054675 -4.11957482 13.75196181 7.91987868 14.16600467 5.76949624 -3.4413966 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00091278-03 196729461 tox21-ror-cho-viability-p1 set3 4 -3.32398514 0.98389549 0.2691779 0.8604347 -4.05596939 -0.32030609 -0.67812509 -0.51220434 -2.81143303 -0.58701125 -0.11326903 0.15000908 2.3112052 1.27250186 -1.15806315 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00163771-03 196729463 tox21-ror-cho-viability-p1 set3 4 2.59724034 -0.10648518 0.37811098 0.63375904 -0.42387194 -1.23317678 2.43494585 1.81016593 4.18661104 0.51477651 3.23056177 3.80156077 1.90325022 2.65314735 0.59897443 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00257754-01 196729477 tox21-ror-cho-viability-p1 set3 4 -2.16785117 -1.86044231 -2.53367077 -1.3846076 -1.55331176 -3.84934185 -0.71348248 -4.35301298 -2.8073696 -2.72587536 -1.33756043 -0.20170774 -2.811751 1.18964585 3.64045094 1.2229999999E-9 2.734E-9 6.113E-9 1.367E-8 3.057E-8 6.8349999999E-8 1.528E-7 3.417E-7 7.641E-7 0.000001709 0.000003821 0.000008543 0.0000191 0.00004272 0.00009552 107-18-6 7858 144207398 A A Allyl alcohol C=CCO Tox21_200200 -NCGC00258569-01 196729877 tox21-ror-cho-viability-p1 set3 4 -1.20128347 1.80078058 1.51748622 2.82783314 2.61735679 1.96738832 -0.67640494 2.10289589 6.42201401 0.44179413 0.01108305 2.61947695 3.12714183 0.74617449 3.992497 1.166E-9 2.606E-9 5.8279999999E-9 1.303E-8 2.9139999999E-8 6.516E-8 1.457E-7 3.2579999999E-7 7.285E-7 0.000001629 0.0000036429999999 0.0000081449999999 0.00001821 0.00004073 0.00009106 6201-87-2 22574 144208214 A A 5-Amino-3-sulfosalicylic acid Oc1c(cc(N)cc1S(O)(=O)=O)C(=O)O Tox21_201016 -NCGC00091426-02 196729891 tox21-ror-cho-viability-p1 set3 4 0.0015355304 12.944766848 -11.444766848 1.5 3.6272481694 0.6477748589 0.078644668 -7.87063904 -0.02299864 0.0953665 2.45941578 3.6499496 -2.47789915 0.43876109 1.19415559 4.5126382 3.10814809 4.12470154 0.365885 1.12332007 0.27789976 -3.47410635 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00257998-01 196729893 tox21-ror-cho-viability-p1 set3 4 68.5198756601 -18.4715921279 -0.5 -18.9715921279 4.9549173134 0.6694386295 0.0534688893 1.82986755 -8.90230719 2.33065203 -2.22864262 1.40618919 -1.30262209 1.28525248 2.02595375 -0.57712147 -0.9838228 0.43621751 1.1800598 0.06985158 -1.85978847 -15.39299344 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.000018429999999 0.0000412 0.000092129999999 301-02-0 5283387 144207642 A A (9Z)-Octadec-9-enamide NC(=O)CCCCCCC/C=C\CCCCCCCC Tox21_200444 -NCGC00160479-02 196716683 tox21-ror-cho-viability-p1 set2 4 3.32538581 0.21886212 -0.81337758 -4.86172341 2.58334869 -2.47555818 -8.27873378 0.4388931 -2.56720131 -5.09578544 -0.3257947 -0.73628291 -3.06328093 -4.72918037 0.50364932 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33414-36-7 219081 170466313 Ac Ftorpropazine OCCN1CCN(CC1)CCC(=O)N2c4ccccc4Sc3ccc(cc23)C(F)(F)F Tox21_111841_1 -NCGC00257276-01 196718722 tox21-ror-cho-viability-p1 set2 4 0.60733115 -2.47304432 0.21789851 -1.14603436 -7.64282933 -5.32979151 -4.0045507 0.62769222 0.0965301 0.64333134 -2.0277498 -5.4623751 0.3145108 2.75864857 -0.17163645 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 25377-73-5 32933 144213732 A A 3-(Dodecenyl)dihydro-2,5-furandione O=C1OC(=O)CC1C=CCCCCCCCCCC Tox21_303421 -NCGC00262579-02 196717091 tox21-ror-cho-viability-p1 set2 1.1 13.3331902297 89.1765488407 0.83057272 90.0071215607 3.0654483358 0.9703800751 4.512E-7 0.24198243 0.19937892 0.38638975 2.13356111 0.8897044 -1.0765063 -2.57323052 1.35784762 1.58671131 3.61033187 5.02932229 8.06542945 9.83693027 82.96820912 88.24227604 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 96036-03-2 441130 170464676 D Meropenem O[C@H](C)[C@H]3C(=O)N2C(=C(S[C@H]1C[C@H](NC1)C(=O)N(C)C)[C@H](C)[C@@H]23)C(=O)O Tox21_110715_1 -NCGC00091183-04 196716676 tox21-ror-cho-viability-p1 set2 4 0.83266296 -0.4501896 2.65647796 4.41112787 3.84897302 4.86988642 9.85330102 8.71817823 2.97301739 2.27523524 4.71265516 -0.31953686 1.91279491 0.82702621 1.38516317 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118-79-6 1483 170466870 Ac 2,4,6-Tribromophenol Brc1cc(Br)cc(Br)c1O Tox21_111098_1 -NCGC00253596-01 196716685 tox21-ror-cho-viability-p1 set2 4 0.4730794415 -3.839392632 3 -0.839392632 3.1319983358 0.4408698761 0.2370408687 2.46333892 1.60102219 0.55676588 2.8728657 1.57665904 7.34953266 2.4466879 7.27621504 1.1645382 -0.0857991 -0.3722504 -3.19949386 -0.36520239 1.06910466 0.04919022 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 113-18-8 5284556 170464750 Z A Ethchlorvynol C#CC(O)(/C=C\Cl)CC Tox21_113732 -NCGC00164128-02 196717495 tox21-ror-cho-viability-p1 set2 4 -0.66876042 -1.08972639 2.41623336 3.0528244 8.12236141 5.75450829 7.05471628 2.97313381 2.34627278 4.36304205 0.34455358 3.50252411 1.42080317 -0.43380933 0.85216545 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 142-91-6 8907 170465544 F Hexadecanoic acid, 1-methylethyl ester CC(C)OC(=O)CCCCCCCCCCCCCCC Tox21_112085_1 -NCGC00164553-02 196717504 tox21-ror-cho-viability-p1 set2 4 0.0016785492 9.40863858 -3.40863858 6 1.17051 0.5377470633 0.1641346584 -1.59053215 1.6872716 0.79661648 6.41541607 4.39322607 5.00772944 5.29069233 11.1360162 4.7287831 6.50185256 7.0463381 6.82200252 4.45536138 1.90594522 0.40867838 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123318-82-1 119182 170465145 A Clofarabine Nc3nc(Cl)nc2c3ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F Tox21_112182_1 -NCGC00164506-02 196717506 tox21-ror-cho-viability-p1 set2 -2.2 21.1316824289 -39.725582284 2.5 -37.225582284 2.7202212143 0.9517284573 0.0000069482 -0.3228906 1.80057265 0.90917731 2.33284897 5.78695406 1.8956438 6.25286764 5.9386823 1.79141594 0.34632735 4.62418737 -0.48290661 1.08556111 -17.94356733 -32.27131857 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5541-67-3 71208 170466440 A Tiliquinol Oc1ccc(C)c2cccnc12 Tox21_112142_1 -NCGC00015389-14 196717510 tox21-ror-cho-viability-p1 set2 4 -2.57475171 2.03876312 -2.50239078 -0.11128845 1.10570216 -0.30994181 1.21424208 -1.46305042 -3.95755689 -0.56003719 -2.86543585 -1.97376332 -2.3761957 -2.1962741 -1.56781483 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2078-54-8 4943 170464994 F Propofol CC(C)c1cccc(C(C)C)c1O Tox21_110134_1 -NCGC00016279-05 196717511 tox21-ror-cho-viability-p1 set2 4 0.2113168243 11.5675808519 -9.5675808519 2 0.9999999999 0.7323638337 0.0253047166 -6.51099685 -9.34904885 -13.76139266 -9.86292562 -4.06551878 -14.63965071 -3.88752868 -4.58044848 -1.53725448 -1.14589722 0.75059479 0.53128386 -1.04784975 1.57101852 5.53379495 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61-78-9 2148 170465155 A Aminohippuric acid O=C(NCC(=O)O)c1ccc(N)cc1 Tox21_110345_1 -NCGC00160514-02 196717517 tox21-ror-cho-viability-p1 set2 4 18.8336317891 -13.20671352 -1.5 -14.70671352 0.9999999999 0.6212732133 0.0831320233 1.63710707 -1.11312709 -4.95448113 -2.57939525 0.87703878 1.31497084 -4.47458515 -2.72659308 -0.5298662 -5.79043305 -0.43929213 -5.32598531 -5.05974475 -6.83952048 -12.2555946 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58186-27-9 3686 170465611 A Idebenone COC1=C(OC)C(=O)C(C)=C(CCCCCCCCCCO)C1=O Tox21_111864_1 -NCGC00249884-01 196717520 tox21-ror-cho-viability-p1 set2 -2.4 13.3331902297 -36.0342389359 9 -27.0342389359 0.8999999999 0.8646577756 0.0013997071 0.7379807 6.69335176 10.10547826 10.23224447 12.7891886 12.7950959 12.08127484 8.78491726 5.3563796 5.8781963 -0.40799029 -1.38025332 -1.15819674 -12.14261042 -20.86186578 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80-74-0 6662 170465159 A A Sulfisoxazole acetal Cc1c(onc1C)N(C(C)=O)S(=O)(=O)c2ccc(N)cc2 Tox21_113660 -NCGC00344519-01 196717914 tox21-ror-cho-viability-p1 set2 4 0.73223126 1.29343406 3.30201833 3.83658274 6.44957846 3.11158774 2.82300201 -0.41339491 0.34426353 -0.00256265 -0.16825405 2.17045882 1.36159389 0.62834567 0.14197439 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 593-85-1 11650 170465438 F Guanidine carbonate NC(=N)N.N=C(N)N.O=C(O)O Tox21_113187_1 -NCGC00256511-01 196718709 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -46.1057436919 0.5666443349 -45.539099357 3.2974983358 0.7952702716 0.0087607191 -0.05896197 1.39664085 1.29695812 0.68135419 -6.19662015 7.96836159 2.33222249 4.94520373 -1.94552342 0.57750884 10.07877024 -6.09700303 -5.60582751 -6.07106624 -34.25478641 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 116-29-0 8305 144213083 A A Tetradifon Clc1cc(c(Cl)cc1Cl)S(=O)(=O)c2ccc(Cl)cc2 Tox21_302766 -NCGC00253972-01 196720789 tox21-ror-cho-viability-p1 set3 4 48.5577336745 -16.776288556 -1 -17.776288556 3.0654483358 0.516224515 0.1643789133 -4.43869631 -7.06022823 1.43655349 2.46357627 -0.48680986 -0.32436463 -7.5827792 -6.40634751 3.69637155 1.16400918 5.14139683 0.6179267 1.47543795 -7.78055158 -15.64690713 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-79-3 8341 144210421 A A 2-Aminoanthraquinone Nc2ccc3C(=O)c1ccccc1C(=O)c3c2 Tox21_300101 -NCGC00015506-07 196717877 tox21-ror-cho-viability-p1 set2 4 3.84391735 0.96420592 2.58940155 1.28328865 4.21747698 5.91103364 9.73142301 4.97106352 -1.62847312 1.94924899 0.40873854 1.76637143 3.68536259 0.46872559 2.60174521 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118909-22-1 5702293 170466309 A Hydroxytacrine maleate O=C(O)/C=C\C(=O)O.Nc1c3ccccc3nc2CCCC(O)c12 Tox21_110164_1 -NCGC00094521-05 196717879 tox21-ror-cho-viability-p1 set2 4 0.685896219 -5.152492176 2 -3.152492176 4.9549173134 0.5899773996 0.1061954242 -1.69432493 2.71736939 -0.00013868 -0.08362954 0.87927744 2.06580228 4.63588387 6.02440316 -1.57578925 -2.96966535 -2.15220978 -1.87763546 -3.01368891 -4.29374348 -2.80120932 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00257082-01 196718696 tox21-ror-cho-viability-p1 set2 -2.2 48.5577336745 -36.7999609999 0 -36.7999609999 2.4063783767 0.7326307294 0.0250813733 5.18422129 -2.56950382 3.9660147 0 -0.69027058 0.54557891 -2.08753479 0.2499923 3.37415922 1.88044154 -16.58097957 2.70971756 -2.28948902 -15.01236109 -30.2499675 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-34-4 7648 144213427 A F 4,4'-Dithiodimorpholine S(SN1CCOCC1)N2CCOCC2 Tox21_303110 -NCGC00257396-01 196718710 tox21-ror-cho-viability-p1 set2 4 2.2331174282 -4.4757445359 2.5 -1.9757445359 4.9549173134 0.4793850037 0.2008490394 2.17677232 0.85953545 0.52136345 2.74879647 3.31596819 1.0571009 1.34011864 5.4064293 2.22383815 2.77479997 -4.33090733 0.20172022 0.39167796 0.32017127 -5.39645378 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.0000189 0.00004225 0.00009448 108-68-9 7948 144213687 A A 3,5-Dimethylphenol Cc1cc(O)cc(C)c1 Tox21_303372 -NCGC00256497-01 196719118 tox21-ror-cho-viability-p1 set2 4 -0.89522292 -0.28527812 3.55548013 0.61670417 -0.23772422 4.28422332 0.76916334 2.35819143 6.08210265 3.56653042 0.52281897 -0.61309595 2.86187865 4.68128744 1.63704837 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 106-48-9 4684 144213177 A A 4-Chlorophenol Oc1ccc(Cl)cc1 Tox21_302860 -NCGC00091839-03 196719119 tox21-ror-cho-viability-p1 set2 4 61.130564862 -10.816914532 1.5 -9.316914532 4.9549173134 0.4990942724 0.1810508513 2.07870038 0.10197287 0.08309177 -0.04500349 -0.92862381 2.94312833 2.03263617 -0.88753751 1.6434765 0.32712163 9.41408001 0.12257218 3.13292281 0.18323236 -8.18076211 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00254351-01 196719550 tox21-ror-cho-viability-p1 set3 4 30.6378586933 12.858695008 -4.858695008 8 0.4999999999 0.5199026766 0.1622206062 -4.93436668 -6.93965534 -1.03913358 -8.63224584 -8.09172832 0.11407273 -1.11211374 -3.61761701 -1.45771511 -5.78761061 -0.08108806 -1.34760637 0.66322729 0.18228678 5.78634883 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 166412-78-8 11524680 144210955 I Fns Diisononyl cyclohexane-1,2-dicarboxylate CC(C)CCCCCCOC(=O)C1CCCCC1C(=O)OCCCCCCC(C)C Tox21_300638 -NCGC00254464-01 196719564 tox21-ror-cho-viability-p1 set3 4 5.91403927 -1.59288678 11.81087287 -1.51603169 5.05597144 5.15754045 10.0385625 10.85603995 -3.86293146 -0.73330495 12.00293573 1.85094638 9.63882241 3.5495259 -0.61631251 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-82-0 8139 144210872 A Fns Methyl dodecanoate O=C(CCCCCCCCCCC)OC Tox21_300555 -NCGC00254539-01 196719974 tox21-ror-cho-viability-p1 set3 4 10.18233481 2.37109808 4.61679879 13.71006152 9.5491672 10.35772075 13.01644677 22.49480398 22.02596252 18.00687303 23.95074959 22.55056326 3.66271683 -6.04702189 7.94343208 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-53-1 448537 144210844 B B Diethylstilbestrol Oc1ccc(cc1)C(\CC)=C(/CC)c2ccc(O)cc2 Tox21_300526 -NCGC00253993-01 196719975 tox21-ror-cho-viability-p1 set3 4 -6.22983117 -10.8189384 -0.34604572 3.05532629 -3.2054061 -3.94231515 3.70100851 -0.21568133 2.30958595 -7.248815 -6.36985184 1.53156001 -6.43895199 -8.36025004 -0.14630696 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 478263-98-8 24852044 144210570 A A AVE3295 [Na+].CC[C@H](NC(=O)c3cc(F)ccc3[N-]S(=O)(=O)c1cccc2cccnc12)c4ccccc4 Tox21_300250 -NCGC00163724-03 196700245 tox21-ror-cho-viability-p1 set1 4 34.3762428541 -14.977257204 -1 -15.977257204 1.21 0.6681783546 0.0542227951 -1.5913413 -0.06585119 -1.6756106 -3.29364547 -0.72125843 2.99486707 -0.08276791 0.12169392 -7.10609943 -0.28529884 0.78511376 -6.27099536 -5.28487286 -6.3721494 -14.98104767 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00257544-01 196700248 tox21-ror-cho-viability-p1 set1 -2.2 30.6378586933 -54.3047126525 -1.633437399 -55.9381500515 2.1876167061 0.9849014468 9.3E-9 -1.30483075 -0.2391362 -0.02572086 1.04673046 -4.07931489 1.49305041 -1.7575027 -2.81017133 -1.0353721 -2.41764624 -5.28699684 -4.06832334 -16.69072774 -36.55911938 -54.84132358 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7553-56-2 807 144211611 Iodine II Tox21_301294 -NCGC00254327-01 196699834 tox21-ror-cho-viability-p1 set1 4 34.3762428541 -15.725358808 -1.5 -17.225358808 3.1319983358 0.7922973335 0.009363309 -0.52278669 -0.56851869 0.23118243 -1.19980297 -4.48061267 -7.86004888 -0.67052719 0.46003652 1.42317849 -0.03752925 -4.50268507 0.61055598 -4.43409071 -11.51452846 -18.52113234 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86479-06-3 91741 144210729 A Hexaflumuron Clc1cc(cc(Cl)c1OC(F)(F)C(F)F)NC(=O)NC(=O)c2c(F)cccc2F Tox21_300411 -NCGC00090701-06 196700237 tox21-ror-cho-viability-p1 set1 4 2.97069408 0.96882545 1.1316732 -3.19203191 2.59194932 0.10211982 2.32987761 0.96163818 0.21431815 -1.04937026 -0.55595321 1.28593828 1.17176259 1.55240007 -0.11286979 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00255550-01 196700657 tox21-ror-cho-viability-p1 set1 4 -1.37675814 2.599589 -1.25747329 4.1800511 1.30179536 1.89192884 1.03604934 -0.59338773 2.97401313 3.83998316 -1.34921342 2.19284404 0.34835354 1.65074348 1.33502344 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-97-4 31234 144211991 A A 3-Phenyl-1-propanol OCCCc1ccccc1 Tox21_301674 -NCGC00015060-14 196700662 tox21-ror-cho-viability-p1 set1 4 2.98662453 -0.89637136 -0.49011969 3.49562453 0.01072509 0.66151007 3.44002521 -8.23378966 -0.08859122 -9.47586416 1.33716333 -9.49618354 -0.0346773 2.86781621 1.34352455 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00257536-01 196700664 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -13.049525468 1.5 -11.549525468 0.6999999999 0.3502343134 0.3221237723 5.18542529 0.55271923 0.48479407 -0.45900314 -0.19797265 1.95913982 -0.18390618 3.26839601 1.30772771 -0.20480976 1.24501072 0.34954801 -7.95793789 2.98147485 -7.78869827 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 614-80-2 11972 144212502 A A 2-Acetamidophenol Oc1ccccc1NC(C)=O Tox21_302185 -NCGC00256108-01 196700669 tox21-ror-cho-viability-p1 set1 -1.2 32.6064349068 -48.2608806435 -1.816844028 -50.0777246715 4.5044702849 0.9446291161 0.000014655 1.46627524 -5.29055187 3.5824357 -1.41979962 -3.3465297 -6.12236387 0.34406241 -10.19497399 -5.5347211 -1.19689084 2.9697768 1.74364924 -9.07540877 -43.36526147 -49.58600458 1.368E-9 3.059E-9 6.8389999999E-9 1.529E-8 3.42E-8 7.647E-8 1.71E-7 3.823E-7 8.549E-7 0.0000019119999999 0.000004275 0.0000095579999999 0.00002137 0.000047789999999 0.0001069 140-90-9 23690437 144212082 F Sodium O-ethyl carbonodithioate [Na+].[S-]C(=S)OCC Tox21_301765 -NCGC00255752-01 196701064 tox21-ror-cho-viability-p1 set1 4 0.0076958822 -8.467201848 1.5 -6.967201848 4.9549173134 0.3314670001 0.3379698228 0.56408169 0.84807045 1.49781107 -11.90315281 -0.08782818 -4.78876358 -9.86943723 -12.41718575 -0.13234956 -10.58671643 0.93108105 -6.00597252 -11.09704697 -13.30600154 -7.21320347 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4559-86-8 20691 144211832 A Fc 1,1,3,3-Tetrabutylurea CCCCN(CCCC)C(=O)N(CCCC)CCCC Tox21_301515 -NCGC00256125-01 196701072 tox21-ror-cho-viability-p1 set1 4 1.07130681 0.225796 0.24587919 4.61105085 1.25671864 1.5986321 2.49785364 4.00934678 -5.80519876 -3.02707114 -3.43206056 0.28183593 -2.02848695 4.53167803 4.48224474 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 701-64-4 12793 144212125 A A Phenyl dihydrogen phosphate OP(=O)(O)Oc1ccccc1 Tox21_301808 -NCGC00090698-04 196701078 tox21-ror-cho-viability-p1 set1 4 38.5707788719 10.7955048519 -2.7955048519 8 4.0949729863 0.5207941474 0.1610550142 -0.56049294 -3.41003073 -7.0162301 0.10977457 -2.38977478 0.00532076 -4.43451098 -1.75380843 -3.13935789 -0.2345333 -0.26741231 -10.66292071 0.45017904 3.09150901 8.49558551 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00258608-01 196701495 tox21-ror-cho-viability-p1 set1 4 4.28820787 1.8764688 0.95497819 2.61153391 0.49971955 0.10128497 0.53820087 -8.08514869 5.64451394 2.56453681 2.98315971 1.27374026 6.57663526 4.09616522 0.06942124 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.365E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.00004117 0.00009206 70831-56-0 5281764 144208253 A A L-Cichoric acid Oc2ccc(/C=C/C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O)cc2O Tox21_201055 -NCGC00258029-01 196730314 tox21-ror-cho-viability-p1 set3 4 0.45178232 -2.04994654 0.91938938 0.30478006 1.80739278 1.43715523 2.9952148 0.00244949 2.59037382 -1.93170317 3.22678792 4.15640391 -0.84116671 -0.51567331 -2.5382046 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2421-28-5 75498 144207673 A B Benzophenonetetracarboxylic dianhydride O=C1OC(=O)c2cc(ccc12)C(=O)c3ccc4C(=O)OC(=O)c4c3 Tox21_200475 -NCGC00257714-01 196730299 tox21-ror-cho-viability-p1 set3 3 89.9418484551 152.1963735095 -8.1392722097 144.0571012998 4.9549173134 0.6915572698 0.0418126058 0.00957028 0.16281931 -1.8067672 1.03571972 2.33999423 1.96378436 1.60533884 1.10212827 2.28459103 1.02537028 -1.6428438 -29.08011483 -72.96280543 -15.83027909 111.72578598 1.479E-9 3.307E-9 7.396E-9 1.6539999999E-8 3.698E-8 8.269E-8 1.849E-7 4.134E-7 9.2449999999E-7 0.000002067 0.000004622 0.00001034 0.000023109999999 0.00005168 0.00011559999999 28961-43-5 115157 144207358 C Trimethylolpropane ethoxylate triacrylate O=C(OCCOCC(COCCOC(=O)C=C)(CC)COCCOC(=O)C=C)C=C Tox21_200160 -NCGC00163815-04 196730302 tox21-ror-cho-viability-p1 set3 -2.1 65.1933385464 -88.6225411556 -1.0438191559 -89.6663603115 3.2474983358 0.908607123 0.0002043767 3.28365913 2.86144574 -1.01022306 -0.78837887 3.72125193 0.06806799 0.59803196 0.20383923 0.67101268 -0.29308297 0 -14.40495118 -17.03202999 -15.24742433 -71.71693963 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00258549-01 196730308 tox21-ror-cho-viability-p1 set3 4 2.08209833 4.33097843 4.91643708 4.61255976 8.65207514 0.37539416 0.79927742 4.23054939 8.49968939 6.47261777 2.67630532 2.38005326 1.53280662 5.4015616 1.8328582 1.187E-9 2.6549999999E-9 5.937E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 4316-74-9 23684896 144208194 A A Sodium 2-(methylamino)ethanesulfonate [Na+].[O-]S(=O)(=O)CCNC Tox21_200996 -NCGC00257952-01 196730315 tox21-ror-cho-viability-p1 set3 4 -3.13484298 -1.0989572 -0.67235173 -1.71288002 -1.82505586 -1.06507377 -0.82442144 0.39580371 0.50616346 -1.39076443 3.24697577 0.33752567 1.25233589 1.81655668 0.76017285 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6239999999E-8 1.481E-7 3.312E-7 7.405E-7 0.000001656 0.0000037029999999 0.000008279 0.00001851 0.0000414 0.000092569999999 140-57-8 8809 144207596 FNS Aramite CC(C)(C)c1ccc(OCC(C)OS(=O)OCCCl)cc1 Tox21_200398 -NCGC00164449-04 196729973 tox21-ror-cho-viability-p1 set3 4 -6.09401444 -0.75170771 -3.58629101 -4.54265801 -4.93619755 -3.97687445 0.16913536 0.65477388 -2.62121078 1.30004347 0.68532692 1.9698724 -1.03742261 -0.56178175 0.69651169 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00256754-01 196718760 tox21-ror-cho-viability-p1 set2 4 1.06676267 0.70821089 2.18449633 1.56841346 1.55522868 1.63381255 -0.72537588 -0.41501389 -0.39380434 -0.31166379 -5.04843979 -3.56030913 0.73909242 0.55318747 2.24049639 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 35854-86-5 5362792 144213929 A A (6Z)-Non-6-en-1-ol CC\C=C/CCCCCO Tox21_303624 -NCGC00256354-01 196718755 tox21-ror-cho-viability-p1 set2 4 -11.04436177 -3.90699534 -7.63490863 -10.47989736 -7.42328584 -10.48133403 -2.82488081 -3.88659577 -5.61323015 -6.87490387 -5.21693247 -2.55891173 -2.5774572 -2.00381217 -1.40177999 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-63-0 7516 144213335 F Fns Phenylhydrazine NNc1ccccc1 Tox21_303018 -NCGC00257344-01 196718764 tox21-ror-cho-viability-p1 set2 4 0.45496 -0.31093524 3.24686655 3.24732563 0.08178341 -4.27713414 -0.07723671 -6.52574781 0.25563962 -0.19457006 -1.88894055 -1.78985415 -0.86728836 0.03813935 -3.41924309 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 288-32-4 795 144213662 A A Imidazole c1cncn1 Tox21_303345 -NCGC00257409-01 196718765 tox21-ror-cho-viability-p1 set2 4 1.60647403 3.01371936 -0.90733658 1.49731265 2.58976479 4.39865412 -1.28596552 3.20989103 1.63421448 0.39749411 -0.2119829 3.01630907 4.82222471 4.2488972 2.36265567 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 7534-94-3 904857 144213884 A Ac Isobornyl methacrylate C=C(C)C(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C Tox21_303579 -NCGC00256334-01 196719160 tox21-ror-cho-viability-p1 set2 4 10.8707224818 -7.572427228 -2 -9.572427228 0.7999999999 0.3549850159 0.3173630855 -2.00966802 -0.68865837 -0.64189879 -1.69584101 0.23507168 -9.82959882 -0.2732655 -3.91244397 -5.51046245 1.12580362 -4.58578417 -3.52243528 -10.47702269 -6.49883565 -7.88445481 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98319-26-7 57363 144213061 A A Finasteride CC(C)(C)NC(=O)[C@H]4CC[C@@H]3[C@]4(C)CC[C@H]1[C@H]3CC[C@H]2NC(=O)C=C[C@]12C Tox21_302744 -NCGC00257033-01 196719172 tox21-ror-cho-viability-p1 set2 4 6.8589621897 10.4980353999 -5.4980353999 5 0.4 0.6073142789 0.0930463207 -6.02142111 -4.12519002 -7.9150295 -0.03313587 -7.02198335 -3.46475256 -4.62828176 -4.92830705 -0.17692132 0.23229135 -3.01045529 -1.24749881 2.83442471 0.61583169 2.68640181 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 3033-62-3 18204 144213533 Cc Ac Bis[2-(dimethylamino)ethyl]ether CN(C)CCOCCN(C)C Tox21_303216 -NCGC00256507-01 196719176 tox21-ror-cho-viability-p1 set2 4 -0.3954905 0.10801741 -0.58108266 1.29211539 0.0512762 1.35952146 -0.09359192 5.15603162 2.54010226 -0.16371711 2.96656845 3.51803575 1.97991066 2.75453686 2.22235596 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 103-85-5 676454 144213315 A A 1-Phenyl-2-thiourea S=C(N)Nc1ccccc1 Tox21_302998 -NCGC00257166-01 196719180 tox21-ror-cho-viability-p1 set2 4 0.02622581 1.54221172 0.27045916 2.43192688 0.30279454 2.80793826 -0.63680821 4.1666086 2.50765692 3.34344908 6.61223471 5.58583413 3.78642317 6.0994245 2.77474294 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-57-6 15909 144213539 A A Methyl styryl ketone CC(=O)C=Cc1ccccc1 Tox21_303222 -NCGC00253994-01 196719611 tox21-ror-cho-viability-p1 set3 -2.4 68.5896218971 -33.663131628 -4 -37.663131628 2.7202212143 0.798921169 0.0081561924 -9.29174062 -9.04757796 -8.29616252 -4.48522353 -4.02135809 -7.80686089 -0.59098448 -4.76312833 0.05952763 -1.10823414 -4.6437837 -1.79975322 -3.02879408 -11.49923997 -28.05260969 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-56-3 7340 144210620 A A 2-Amino-5-azotoluene Cc2cc(/N=N/c1ccccc1C)ccc2N Tox21_300300 -NCGC00167539-03 196716690 tox21-ror-cho-viability-p1 set2 4 1.85428813 0.33678953 0.73604685 6.8995042 3.54454166 -1.34867917 -2.78795168 2.35678413 2.7675875 2.28735463 0.82164708 0.98520547 0.3339467 -1.34322935 2.41918768 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 120-72-9 798 170465733 F Indole c1cccc2nccc12 Tox21_112536_1 -NCGC00258686-01 196716276 tox21-ror-cho-viability-p1 set2 4 76.4894813809 18.995922036 1.004077964 20 0.7 0.5309225018 0.1527920013 3.32824547 3.10193001 1.31428431 -0.82993503 3.63220902 2.58127304 -0.26313291 2.84860794 5.8842723 1.06711273 2.06620389 7.14055636 4.63544281 3.67719293 15.12237288 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.00009175 135-23-9 8667 144208332 A A Methapyrilene hydrochloride Cl.CN(C)CCN(Cc1cccs1)c2ccccn2 Tox21_201134 -NCGC00258110-01 196716293 tox21-ror-cho-viability-p1 set2 4 56.8051321619 -15.9239874919 3 -12.9239874919 1.55794881 0.7078094899 0.0352328414 0.68673214 2.36273715 2.89569325 1.73902031 6.39301007 3.64309785 0.729153 3.21778546 6.51146352 1.78011032 2.63147529 0.86696928 -1.2051355 -0.01349716 -9.10332291 1.11E-9 2.481E-9 5.5479999999E-9 1.2409999999E-8 2.774E-8 6.203E-8 1.387E-7 3.1019999999E-7 6.935E-7 0.0000015509999999 0.0000034679999999 0.0000077539999999 0.00001734 0.00003877 0.00008669 778-22-3 13065 144207754 A A 2,2-Diphenylpropane CC(C)(c1ccccc1)c2ccccc2 Tox21_200556 -NCGC00257710-01 196716295 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -41.53670692 0.5 -41.03670692 4.5044702849 0.8930422283 0.000450734 2.36552978 0.06173649 3.12804179 2.47713632 3.02754802 1.90920691 0.87177811 -5.67467915 3.19184872 1.73837875 0.18180106 -3.23316905 -5.66359398 -3.38108676 -32.5305891 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 60348-60-9 36159 144207354 A A 2,2',4,4',5-Pentabromodiphenyl ether Brc2cc(Oc1ccc(Br)cc1Br)c(Br)cc2Br Tox21_200156 -NCGC00258819-01 196721605 tox21-ror-cho-viability-p1 set3 -1.2 6.8171322038 -29.3923370876 -4.112306788 -33.5046438756 4.9549173134 0.9409583721 0.0000207464 -11.19555516 -3.56965915 -7.15607182 -4.4740618 -7.77611242 -5.89128489 -7.09298541 -0.09358899 -2.65618199 -0.75846023 -2.59963766 -26.76985891 -32.31237137 -35.18948507 -31.86585981 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 0.000091709999999 20624-25-3 517546 144208465 D Sodium diethyldithiocarbamate trihydrate O.[Na+].O.O.CCN(CC)C([S-])=S Tox21_201267 -NCGC00259915-01 196721215 tox21-ror-cho-viability-p1 set3 4 -4.40194055 -6.71186637 -1.42266922 -2.09524293 -2.88903429 -4.96960322 -3.95215889 -4.07209943 -5.12774627 -3.19138551 -3.20694986 -3.67107407 -5.84216181 2.12073871 -1.98086913 1.466E-9 3.2789999999E-9 7.331E-9 1.6389999999E-8 3.666E-8 8.196E-8 1.8329999999E-7 4.098E-7 9.1639999999E-7 0.0000020489999999 0.0000045819999999 0.00001025 0.00002291 0.000051229999999 0.00011449999999 1852-16-0 15817 144209564 A A N-(Butoxymethyl)acrylamide CCCCOCNC(=O)C=C Tox21_202366 -NCGC00259861-01 196721217 tox21-ror-cho-viability-p1 set3 4 28.0853810909 7.0924056639 -1.5924056639 5.5 4.9549173134 0.4888481732 0.190701649 -5.07700472 -3.51952586 -0.63272286 5.75932616 -1.94067568 -2.23560421 -2.46159035 -3.23268939 -3.0508353 -0.66148985 -2.77914982 -0.98228982 -0.8667523 4.79201968 5.03275459 1.208E-9 2.702E-9 6.042E-9 1.3509999999E-8 3.021E-8 6.7549999999E-8 1.51E-7 3.3769999999E-7 7.552E-7 0.000001689 0.0000037759999999 0.0000084429999999 0.00001888 0.00004222 0.0000944 78-59-1 6544 144209510 B B Isophorone O=C1C=C(C)CC(C)(C)C1 Tox21_202312 -NCGC00259673-01 196721223 tox21-ror-cho-viability-p1 set3 4 30.9184864367 -23.647092672 8 -15.647092672 4.9549173134 0.5398670278 0.1435402673 13.94476335 18.58252692 -1.71782179 -5.55343379 6.40210545 13.33212914 5.84545555 10.62871662 12.68825653 -5.09588096 12.46506117 11.51724798 10.29961 -14.00625172 -14.70591056 1.189E-9 2.6589999999E-9 5.946E-9 1.3289999999E-8 2.973E-8 6.647E-8 1.486E-7 3.3239999999E-7 7.4319999999E-7 0.000001662 0.000003716 0.000008309 0.000018579999999 0.000041549999999 0.0000929 112-53-8 8193 144209322 A A 1-Dodecanol CCCCCCCCCCCCO Tox21_202124 -NCGC00259720-01 196721613 tox21-ror-cho-viability-p1 set3 4 15.1057946448 4.995630604 -6.0285429559 -1.0329123519 4.9549173134 0.3447661255 0.3276940865 -6.26030687 -0.02742696 -12.10711913 -4.45643264 -3.66932713 -5.95606157 -8.18541742 -6.18645391 -9.09586776 -3.81303395 -6.92957126 -8.44966538 -2.31101948 -0.69267654 -1.22708424 1.164E-9 2.602E-9 5.818E-9 1.301E-8 2.909E-8 6.5049999999E-8 1.454E-7 3.252E-7 7.2719999999E-7 0.0000016259999999 0.000003636 0.000008131 0.00001818 0.00004065 0.0000909 60-33-3 5280450 144209369 A A Linoleic acid O=C(O)CCCCCCC/C=C\C/C=C\CCCCC Tox21_202171 -NCGC00259548-01 196722002 tox21-ror-cho-viability-p1 set3 4 4.3409191146 -12.7491213999 -1 -13.7491213999 4.9549173134 0.492083937 0.2021659683 -4.95837576 0.85779373 -1.65207885 11.17733124 -1.48788768 -3.40942008 -3.69432755 -3.18491446 -2.38542463 -0.73278745 -3.14315787 -21.0409345 -17.38251665 -2.92171407 11.25303337 1.183E-9 2.644E-9 5.913E-9 1.322E-8 2.9569999999E-8 6.611E-8 1.4779999999E-7 3.306E-7 7.3909999999E-7 0.0000016529999999 0.000003696 0.0000082639999999 0.00001848 0.00004132 0.00009239 144-80-9 5320 144209197 A A Sulfacetamide Nc1ccc(cc1)S(=O)(=O)NC(C)=O Tox21_201999 -NCGC00090827-04 196722007 tox21-ror-cho-viability-p1 set3 4 34.586102705 10.0669064479 -4.0669064479 6 4.9549173134 0.5066830298 0.1733416059 -5.80411369 -5.01887752 -0.05254149 4.98665679 -6.53164658 -5.29041634 -6.36853383 -5.63086372 -5.43134111 -0.57522464 -3.35648826 -6.72242204 -3.78942949 3.48092082 6.79861801 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00257451-01 196718311 tox21-ror-cho-viability-p1 set2 4 0.68367148 0.42678406 1.86256551 2.79780271 0.59969216 1.20435396 1.89145751 7.8571027 3.91220973 10.18497752 4.82185284 3.82313619 0.58814806 1.90494572 0.43578818 4.064E-10 9.087E-10 2.032E-9 4.544E-9 1.016E-8 2.272E-8 5.08E-8 1.136E-7 2.5399999999E-7 5.6799999999E-7 0.00000127 0.00000284 0.0000063499999999 0.000014199999999 0.00003175 NOCAS_48176 11982778 144213751 A A YM218 O=C(O)/C=C/C(=O)O.Cc6occc6C(=O)Nc1ccc(cc1)C(=O)N5CCC(F)(F)C(=C\C(=O)N2CCC(CC2)N3CCCCC3)/c4ccccc45.O=C(\C=C2\c1ccccc1N(CCC2(F)F)C(=O)c3ccc(cc3)NC(=O)c4ccoc4C)N5CCC(CC5)N6CCCCC6 Tox21_303441 -NCGC00262950-01 196717886 tox21-ror-cho-viability-p1 set2 4 0.20367383 -0.07214988 1.17685091 1.2815157 1.78401125 1.28673041 -1.09449588 -5.16444314 1.30249662 0.20455123 -0.39327945 -3.78983908 -1.08667769 -0.67988334 -6.51043227 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 86487-64-1 68604 170466108 A A Setoperone Fc1ccc(cc1)C(=O)C2CCN(CC2)CCC4=C(C)N=C3SCCN3C4=O Tox21_113942 -NCGC00166056-02 196717897 tox21-ror-cho-viability-p1 set2 4 -0.16874223 1.79309452 5.18130169 6.55511981 9.85063974 4.77652345 8.10690954 5.24239587 4.67496876 2.55115042 2.15807694 4.4976752 3.8864884 2.11363632 0.97768327 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 614-18-6 69188 170466863 A Ethyl nicotinate O=C(OCC)c1cccnc1 Tox21_112299_1 -NCGC00160450-03 196717899 tox21-ror-cho-viability-p1 set2 4 -2.4844503 -3.24744782 -2.49565876 -2.46571078 1.35336469 2.41110947 -5.35430438 -5.12722715 -6.00182326 0.30009846 -1.51364104 -7.53611331 -3.7982373 -1.92433047 0.29482686 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 18699-02-0 2018 170465954 A 4-Acetylaminophenylacetic acid O=C(C)Nc1ccc(cc1)CC(=O)O Tox21_111820_1 -NCGC00257474-01 196718316 tox21-ror-cho-viability-p1 set2 4 1.79763427 1.7589751 1.54050703 3.90622013 0.53232905 4.0304409 1.7704753 6.1997235 5.01603102 1.58428749 6.16904961 9.8782874 4.44856542 3.64757667 1.9817417 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 107-18-6 7858 144213815 AC Ac Allyl alcohol C=CCO Tox21_303507 -NCGC00258476-01 196702744 tox21-ror-cho-viability-p1 set1 4 17.6326973343 10.0472830679 -3.0472830679 7 4.9549173134 0.4137123101 0.2765678779 -2.36791688 2.77673005 -7.261974 0.14466102 -1.88340191 -9.62273589 -3.45399195 -8.52595262 0.6881368 -0.29645618 -2.34911527 -3.77626899 2.31389841 7.08346989 0.13242178 1.203E-9 2.6889999999E-9 6.013E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003758 0.000008404 0.000018789999999 0.00004202 0.000093959999999 315-30-0 2094 144208120 A A Allopurinol Oc2ncnc1nncc12 Tox21_200922 -NCGC00258523-01 196702327 tox21-ror-cho-viability-p1 set1 4 43.0571658618 -18.42661002 -6.56186884 -24.98847886 0.2 0.543898164 0.1419735365 -9.38538378 -10.30926344 -4.6348907 -12.1681779 -10.89976313 -7.42729102 -11.64491075 -13.28423436 -14.40959214 -13.90958599 -10.14825438 -11.02577217 -15.67768082 -14.74044671 -19.99039905 1.175E-9 2.628E-9 5.877E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.346E-7 0.000001643 0.000003673 0.0000082129999999 0.000018359999999 0.00004107 0.000091819999999 3322-93-8 18728 144208168 A A 1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane BrC1CCC(CC1Br)C(Br)CBr Tox21_200970 -NCGC00257658-01 196702335 tox21-ror-cho-viability-p1 set1 -1.1 28.1706053361 -84.8639212947 -8.860431761 -93.7243530557 1.9673362061 0.9177695723 0.0001189576 -18.61571322 -13.5130103 -11.96883108 -0.7216224 -15.41338819 -9.93923512 -17.95256791 -17.05608199 -0.64336848 -12.01751238 -19.58874282 -13.11123529 -35.04802752 -80.48126509 -81.52726433 1.3329999999E-9 2.981E-9 6.667E-9 1.491E-8 3.3329999999E-8 7.4539999999E-8 1.6669999999E-7 3.7269999999E-7 8.333E-7 0.000001863 0.0000041669999999 0.0000093169999999 0.00002083 0.00004658 0.0001042 20562-02-1 6537493 144207302 A A alpha-Solanine O[C@@H]9[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]9O[C@H]8[C@@H](O)[C@@H](CO)O[C@@H](OC6CC[C@@]3(C)C(=CC[C@H]2[C@@H]4C[C@@H]1N5C[C@@H](C)CC[C@@H]5[C@@H](C)[C@@H]1[C@@]4(C)CC[C@@H]23)C6)[C@@H]8O[C@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O Tox21_200104 -NCGC00094532-06 196702735 tox21-ror-cho-viability-p1 set1 4 -7.36980165 -0.06517179 -5.5231562 0.10904048 0.7082363 -11.59822873 0.84694557 -6.24631396 -6.99173618 -9.97623249 0.33842777 -12.57923381 -13.03141361 0.10778867 -4.61371208 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00258769-01 196701512 tox21-ror-cho-viability-p1 set1 4 30.8560878831 9.7981186879 -0.7981186879 9 4.9549173134 0.6591193656 0.0713310508 -2.63718433 -3.99843224 -2.41713737 -2.06359539 1.37320214 0.09295507 0.53338525 0.7869572 -0.18615563 1.7711494 -2.39625703 -0.6746186 -2.04379291 8.9527317 0.72047189 1.187E-9 2.653E-9 5.9329999999E-9 1.327E-8 2.9669999999E-8 6.633E-8 1.4829999999E-7 3.317E-7 7.416E-7 0.0000016579999999 0.000003708 0.000008292 0.00001854 0.00004146 0.000092709999999 874-42-0 13404 144208415 A Ac 2,4-Dichlorobenzaldehyde O=Cc1ccc(Cl)cc1Cl Tox21_201217 -NCGC00090698-04 196701106 tox21-ror-cho-viability-p1 set1 4 1.06708058 2.07803557 1.48776877 19.57262023 5.12158495 -0.70337532 6.38926971 4.49973769 -3.50249761 -0.85053545 -0.51365207 -0.55579839 1.76537479 -5.78258445 6.83754661 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00256241-01 196701108 tox21-ror-cho-viability-p1 set1 4 0.45953448 0.33523361 2.29849834 0.71251929 3.04331613 4.13905415 1.61536841 2.55415984 -0.07823814 4.70210719 0.1273185 0.17204715 2.484603 1.53907086 3.11197161 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-69-6 5371002 144212623 D F alpha-Irone CC1CC=C(C)C(/C=C/C(C)=O)C1(C)C Tox21_302306 -NCGC00256085-01 196701112 tox21-ror-cho-viability-p1 set1 4 0.0570970244 -15.1612921 1.5 -13.6612921 0.4 0.6647681559 0.0668573497 -0.1547815 -4.10441726 0.68693883 -6.34527373 -9.16415172 -1.13068148 -5.22033166 -12.77010712 -10.10212839 -7.3078536 -14.30107675 -12.04610607 -11.7782244 -12.50652277 -3.31226946 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 22047-25-2 30914 144212626 A F Acetylpyrazine CC(=O)c1cnccn1 Tox21_302309 -NCGC00258782-01 196701516 tox21-ror-cho-viability-p1 set1 4 37.0817062983 10.01596678 -0.01596678 10 4.9549173134 0.4572523395 0.2198055638 0.58302391 -0.10224941 0.49055422 2.98913482 -3.99494711 1.49567505 0.14611224 2.04745702 -0.25960739 0.82017413 0.26747112 1.6757878 -4.48514413 -5.01330565 9.24434886 5.834E-10 1.304E-9 2.9169999999E-9 6.522E-9 1.4579999999E-8 3.261E-8 7.292E-8 1.631E-7 3.6459999999E-7 8.153E-7 0.000001823 0.000004076 0.000009115 0.000020379999999 0.000045579999999 54150-69-5 5284385 144208428 A A 2,4-Dimethoxyaniline hydrochloride Cl.Nc1ccc(cc1OC)OC Tox21_201230 -NCGC00257783-01 196701518 tox21-ror-cho-viability-p1 set1 4 0.9166626 -0.49914777 2.76666826 1.2856459 3.26079901 3.49692433 7.76313574 3.48504318 8.99705413 -0.06525928 -0.11019081 1.50786816 1.5533753 2.67866626 1.66029061 1.1679999999E-9 2.612E-9 5.8409999999E-9 1.3059999999E-8 2.92E-8 6.53E-8 1.4599999999E-7 3.265E-7 7.3009999999E-7 0.0000016329999999 0.0000036509999999 0.000008163 0.00001825 0.00004081 0.00009126 3054-95-3 62477 144207427 FNS Acrolein diethylacetal C=CC(OCC)OCC Tox21_200229 -NCGC00257858-01 196701523 tox21-ror-cho-viability-p1 set1 -2.4 68.6593799697 -32.17767076 0 -32.17767076 3.2974983358 0.8453864934 0.0025960863 3.19751193 0.09880913 4.04020674 3.46338374 -3.89359203 0.1617065 -1.8684498 4.44722298 0.65838068 -0.96215199 -2.19086608 -3.43611309 -2.06512219 -5.37602554 -23.4813923 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.476E-7 3.302E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.000092279999999 21829-25-4 4485 144207502 B B Nifedipine CC=1NC(C)=C(C(C=1C(=O)OC)c2ccccc2[N+]([O-])=O)C(=O)OC Tox21_200304 -NCGC00357195-01 196724916 tox21-ror-cho-viability-p1 set3 4 -1.68591627 -0.5486903 1.19476561 1.78774971 -1.40473292 -1.95517849 6.70222979 2.89359374 1.50501777 -6.6707787 3.09893222 -0.87769553 2.56842406 0.26474068 1.25827522 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2402-78-0 16989 251919888 A 2,6-Dichloropyridine Clc1cccc(Cl)n1 Tox21_303965 -NCGC00260090-01 196724486 tox21-ror-cho-viability-p1 set3 -2.2 9.7378262331 -52.2387508479 4 -48.2387508479 2.7202212143 0.9316461868 0.0002059437 0.59495851 6.3998435 6.41395695 4.60912915 7.03151679 1.39874294 0.78944791 4.59622228 3.97334626 2.17233057 -1.35664814 -10.16233563 -50.2486988 -1.27192146 47.00563421 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.311E-7 7.405E-7 0.000001656 0.000003702 0.000008279 0.00001851 0.00004139 0.00009256 17831-71-9 28803 144209739 Ac Ac Tetraethylene glycol diacrylate O=C(OCCOCCOCCOCCOC(=O)C=C)C=C Tox21_202541 -NCGC00357285-01 196724492 tox21-ror-cho-viability-p1 set3 4 0.0243365162 18.1777125879 -14.1777125879 4 0.2 0.4787183199 0.1988890651 -10.56476049 -3.33117249 -8.33005131 -3.69725253 -0.9096726 -7.43195365 -6.86969613 -3.82688962 2.83044294 -4.36392221 1.1046668 -3.34671035 3.48471244 -0.34442542 0.73627822 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 64091-91-4 47289 251919642 F 4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone O=C(CCCN(C)N=O)c1cccnc1 Tox21_303771 -NCGC00260632-01 196724496 tox21-ror-cho-viability-p1 set3 4 0.016785492 7.669872624 -9.169872624 -1.5 4.9549173134 0.4077023569 0.281685222 1.14031152 -11.32939843 -11.28218751 -15.14156052 -6.06219527 0.408657 -5.16875893 2.13779931 -7.14690288 -1.24017771 1.26232218 -1.6316831 -1.1722055 -2.96471015 -4.22416845 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49528 144210285 M M NTP Mix108 ER1 10-EQC Tox21_203087 -NCGC00163927-04 196724918 tox21-ror-cho-viability-p1 set3 4 0.0015715158 11.46355116 -9.46355116 2 4.9549173134 0.4450259894 0.2481462114 -7.0529593 3.38118774 0.11904012 0.93224482 -1.16315025 3.47110396 2.70143376 5.00354971 2.57561588 3.13236627 5.74627492 4.33588329 1.09542824 -4.44683847 -4.26326016 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00179435-06 196725337 tox21-ror-cho-viability-p1 set3 4 1.74503298 3.126831 2.21083455 3.69400947 -1.14127689 3.24386872 6.02924476 5.53262337 6.75341063 -1.73316226 14.00879533 2.25213533 5.18626059 -0.58196737 1.97095271 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3778-73-2 3690 170464854 A Ifomide O=P1(NCCCl)OCCCN1CCCl Tox21_110539_1 -NCGC00253632-01 196717946 tox21-ror-cho-viability-p1 set2 4 1.71644218 3.53982473 1.33124481 2.90291354 4.56734371 7.29122976 7.97019081 3.18573455 0.84476343 1.7968096 2.64792781 1.13932553 -1.02745482 2.74776751 -0.48529956 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 171714-84-4 177236 170466416 A A Darusentan O=C(O)[C@@H](Oc1nc(cc(OC)n1)OC)C(OC)(c2ccccc2)c3ccccc3 Tox21_113760 -NCGC00090827-04 196720856 tox21-ror-cho-viability-p1 set3 -3 15.4803126886 -96.8151065635 -3.2494109609 -100.0645175244 3.1319983358 0.8978897061 0.0011544783 -5.21190978 -11.41420655 -3.15260686 -1.32041842 -3.6243187 0.13694561 -12.98921232 -3.10165018 -2.23442126 1.68765694 -2.15600614 -1.76330181 -75.80645267 1.29623281 -9.98446655 1.188E-9 2.656E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.641E-8 1.4849999999E-7 3.321E-7 7.425E-7 0.0000016599999999 0.000003712 0.0000083009999999 0.00001856 0.000041509999999 0.00009281 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00258828-01 196721251 tox21-ror-cho-viability-p1 set3 -2.2 34.2364547331 -49.8979319935 -4.662269374 -54.5602013675 1.8851180601 0.9127297513 0.0001616743 -7.47554543 -5.0835482 -2.31700318 6.10398877 -6.65085338 -4.61316947 -5.98052788 -11.37651152 -5.34045287 -1.23591387 -7.26997855 -12.85815039 -12.78292537 -36.09740146 -50.51870497 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.571E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008214 0.00001837 0.00004107 0.00009184 133-06-2 8606 144208474 A F Captan ClC(Cl)(Cl)SN2C(=O)C1CC=CCC1C2=O Tox21_201276 -NCGC00259523-01 196721258 tox21-ror-cho-viability-p1 set3 -2.2 53.9290828027 -40.6646239999 -1 -41.6646239999 3.1319983358 0.9357499624 0.0000326984 -2.07172367 3.88557576 1.4784575 -0.98699161 -1.89856547 -3.3358906 -5.00454803 -3.46295604 -1.21054225 -2.59149573 -0.18630037 -2.92374594 1.03799953 -13.25967194 -34.9732 1.1699999999E-9 2.617E-9 5.852E-9 1.3079999999E-8 2.926E-8 6.542E-8 1.463E-7 3.271E-7 7.315E-7 0.0000016359999999 0.000003657 0.000008178 0.00001829 0.000040889999999 0.00009143 103-76-4 7677 144209172 A A 1-Piperazineethanol OCCN1CCNCC1 Tox21_201974 -NCGC00022653-09 196717535 tox21-ror-cho-viability-p1 set2 4 1.84489526 2.0951254 0.43830358 3.37852867 5.1899817 5.71659044 6.48145632 5.87857608 4.9339116 2.85298371 2.38958554 0.05722426 2.37659773 0.77235082 3.12921943 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25953-19-9 33255 170465254 B Cefazolin O=C(O)C=3N4C(=O)[C@@H](NC(=O)Cn1cnnn1)[C@H]4SCC=3CSc2nnc(C)s2 Tox21_111691_1 -NCGC00262945-01 196717538 tox21-ror-cho-viability-p1 set2 4 0.1883363179 5.253237656 -4.253237656 1 3.9899729863 0.7434388397 0.0220088333 -4.16308463 -0.71363758 -7.71103138 -5.21130001 -6.07072277 -3.0487683 -4.29735429 -2.16073266 0.87704345 2.52133746 1.185843 -0.34424201 0.20101355 0.57163705 1.81359492 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 366789-02-8 6433119 170466121 A A Rivaroxaban O=C(NCC3CN(c1ccc(cc1)N2CCOCC2=O)C(=O)O3)c4ccc(Cl)s4 Tox21_113938 -NCGC00249922-01 196717539 tox21-ror-cho-viability-p1 set2 4 16.7854920005 -14.54906958 2.5 -12.04906958 0.6999999999 0.6888025904 0.0438455378 -0.0327556 2.44686324 0.87025967 1.92887317 3.04369251 3.48159554 3.96758144 7.30941076 -0.4310109 -2.65759527 -0.34425321 -1.81502775 -2.34531873 -4.05888727 -8.37422465 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2508-47-6 17273 170465998 F A Estriol benzoate diacetate CC(=O)O[C@@H]4C5(C)CCC2C(CCc3cc(OC(=O)c1ccccc1)ccc23)C5C[C@H]4OC(C)=O Tox21_113698 -NCGC00015122-11 196717960 tox21-ror-cho-viability-p1 set2 4 0.83061154 -0.33899543 1.1285871 1.78012309 1.3162183 2.40892182 2.55811872 4.67541333 1.0222891 -0.0773473 0.86445314 -1.18358798 0.44890973 -2.41501672 -4.94318841 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 31677-93-7 62884 170464747 C Bupropion hydrochloride Cl.O=C(c1cc(Cl)ccc1)C(C)NC(C)(C)C Tox21_110621_1 -NCGC00256969-01 196718353 tox21-ror-cho-viability-p1 set2 4 -2.41100037 1.21924011 0.68109556 0.38627476 -9.43977574 -2.59209137 -2.16107043 -2.36802202 8.44622767 -15.66122017 9.94768729 -8.52256176 -5.72831749 -0.93629508 -0.83009517 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.00004119 0.000092099999999 957-51-7 13728 144213394 A A Diphenamid O=C(C(c1ccccc1)c2ccccc2)N(C)C Tox21_303077 -NCGC00256751-01 196718357 tox21-ror-cho-viability-p1 set2 4 0.2483905 -0.96914297 1.23567553 3.4726685 -11.37638509 -0.76454518 -4.25535646 -8.03262775 -10.4101374 0.76799827 -1.45522744 3.34293888 3.05715579 1.92075807 0.5973967 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-98-2 8499 144212999 A F Methyl 4-methoxybenzoate COc1ccc(cc1)C(=O)OC Tox21_302682 -NCGC00257389-01 196718359 tox21-ror-cho-viability-p1 set2 4 6.1130564862 11.280383436 1.219616564 12.5 4.9549173134 0.8687026718 0.0019921955 2.48929084 -1.03106004 1.0619174 3.41096784 -1.90031953 4.06311191 0.03882811 0.54864573 2.78121137 1.16386557 -0.24087165 11.12540965 11.76813422 12.39976923 -0.14405373 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_48505 9884915 144213825 A A PharmaGSID_48505 [O-][N+](=O)c1cc2C(=Nc3c(Nc2cc1)nnc3C)c4ccccc4Cl Tox21_303517 -NCGC00257102-01 196718365 tox21-ror-cho-viability-p1 set2 4 0.41750476 -0.54424063 0.93033869 3.38752318 0.68729794 0.89802449 0.56400575 6.12628058 6.70073327 0.00068408 5.67949924 0.85214536 2.39511839 -0.62484886 0.63755028 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-17-3 8836 144213401 A A Bis[2-(2-butoxyethoxy)ethyl] hexandioate CCCCOCCOCCOC(=O)CCCCC(=O)OCCOCCOCCCC Tox21_303084 -NCGC00091284-03 196719998 tox21-ror-cho-viability-p1 set3 4 -2.85859521 10.40908883 2.54268086 7.61350791 12.44152334 -4.98008124 12.78648207 10.63798003 10.01541849 11.89676892 9.52031769 10.26168549 7.50139953 0.34445436 0.17911515 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00018203-06 196722842 tox21-ror-cho-viability-p1 set3 4 3.54280759 -0.15656695 -0.35594952 -6.40865343 -9.39548194 -24.747941 0 -0.58964646 5.59471279 0.61470969 1.89564613 -3.52944274 -4.06277182 -0.36803298 6.77825621 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 125-51-9 657306 170466552 A Pipenzolate bromide [Br-].O=C(OC1CCC[N+](C)(CC)C1)C(O)(c2ccccc2)c3ccccc3 Tox21_111378_1 -NCGC00163930-04 196723247 tox21-ror-cho-viability-p1 set3 4 0.75280077 7.89224499 2.37319885 -0.50412643 12.14908449 2.68572559 -1.73685538 -1.38890995 7.56693211 7.35055653 6.35555844 1.20018496 3.36291785 8.7724979 11.71286065 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00095016-05 196723260 tox21-ror-cho-viability-p1 set3 -2.1 21.1316824289 -145.6864036227 7.0513632529 -138.6350403698 2.4063783767 0.9722475834 3.114E-7 7.80913344 23.14032597 7.23598848 2.7236719 16.90978658 4.75857309 6.13251154 1.88898549 6.21967725 5.60519507 -1.51725138 0.14000177 -6.76696788 -66.37857257 -117.88693909 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 37693-01-9 2799 170466615 A Clofoctol Clc2cc(Cl)ccc2Cc1cc(ccc1O)C(C)(C)CC(C)(C)C Tox21_111389_1 -NCGC00254074-01 196719593 tox21-ror-cho-viability-p1 set3 4 0.07782141 0.88248273 -2.3067601 -0.00248606 10.19789406 1.92808498 -2.26886799 -0.46988459 -0.20337995 -1.44902721 -0.18313876 -0.379646 6.33349607 0.86306132 10.63163359 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-44-7 6598 144210436 FNS Dimethylcarbamoyl chloride CN(C)C(Cl)=O Tox21_300116 -NCGC00255024-01 196719598 tox21-ror-cho-viability-p1 set3 4 0.0194491948 -9.231254524 11 1.768745476 4.9549173134 0.4965636117 0.1817931356 6.02871966 13.26169152 10.80098941 12.9079766 -2.76903928 -2.0404641 4.84887608 7.84636232 -4.35937877 3.60239948 3.63498545 -3.50863145 6.2334757 2.17313945 3.31650726 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 962-58-3 13754 144211442 A F Diazoxon Cc1cc(OP(=O)(OCC)OCC)nc(n1)C(C)C Tox21_301125 -NCGC00255010-01 196719993 tox21-ror-cho-viability-p1 set3 4 0.88126638 -2.21360584 5.54368172 -0.57603503 -0.58965305 3.85217473 5.73618371 -1.08178693 10.02913947 -5.79436439 -3.60476272 11.42061745 0.43548001 1.09724996 -0.03753203 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119446-68-3 86173 144211427 A A Difenoconazole Clc1ccc(cc1)Oc2ccc(c(Cl)c2)C4(Cn3ncnc3)OCC(C)O4 Tox21_301110 -NCGC00254443-01 196720011 tox21-ror-cho-viability-p1 set3 -1.1 1.2197151236 -106.8869720507 8.5810671517 -98.305904899 1.21 0.9836366024 1.48E-8 8.59005755 2.65053193 12.39198403 15.71352096 1.15400517 3.88330261 3.41904677 -13.15584765 -23.10089598 -60.47291043 -64.38441123 -96.80032066 -98.2128207 -98.70070773 -92.67525093 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7487-94-7 5284416 144210809 Mercuric chloride [Hg+2].[Cl-].[Cl-] Tox21_300491 -NCGC00254047-01 196720015 tox21-ror-cho-viability-p1 set3 4 -5.89925356 -9.45587727 -4.45700706 -2.18881419 -6.56760249 -0.01122211 -5.37409716 -1.58225745 -3.46336491 -4.87988798 -4.00583754 -2.11262473 0.33372561 -0.08144154 -8.18744213 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13674-87-8 26177 144210514 A A TDCPP ClCC(OP(=O)(OC(CCl)CCl)OC(CCl)CCl)CCl Tox21_300194 -NCGC00254673-01 196720016 tox21-ror-cho-viability-p1 set3 4 -9.62736364 -0.75695308 0.59957479 -16.34110063 -9.25978713 -1.44258504 -1.33544415 -1.09951272 -8.72139229 -1.02780901 0.55674093 0.54150636 -0.36015544 -0.89755162 -0.17544037 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-72-4 2871 144211086 A A Coumaphos CCOP(=S)(OCC)Oc1ccc2c(c1)OC(=O)C(Cl)=C2C Tox21_300769 -NCGC00094532-06 196720413 tox21-ror-cho-viability-p1 set3 4 6.18450035 -1.0887781 8.15049147 -3.54859059 -6.11323028 1.04284044 5.40979889 -4.16830843 -1.980736 9.33467188 2.25728136 6.61865245 0.55674267 1.46886598 0.01307814 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00254165-01 196720424 tox21-ror-cho-viability-p1 set3 4 0.0034376243 -16.9806618 17 0.0193382 1.21 0.5805602833 0.1115975851 14.79751012 8.55243568 5.89571438 -0.04843477 8.61999189 -3.45492133 -2.01520767 -1.65844099 1.55131036 4.22047611 0.83719365 -2.96831119 6.28017388 -0.5980187 -4.1505515 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 732-11-6 12901 144210413 C D Phosmet COP(=S)(OC)SCN2C(=O)c1ccccc1C2=O Tox21_300093 -NCGC00254662-01 196720425 tox21-ror-cho-viability-p1 set3 4 0.6113056486 4.968559396 -5.968559396 -1 1.8851180601 0.4208580081 0.2540156988 -2.08433278 -1.71620605 -10.80713283 -10.77656752 -2.11154047 -7.04421215 -6.80788115 -4.35832844 -3.01768461 -1.09798185 -2.45977403 0.72902682 -2.3058892 0.50891995 -1.59902284 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10238-21-8 3488 144211075 A A Glybenclamide O=C(NC1CCCCC1)NS(=O)(=O)c3ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc3 Tox21_300758 -NCGC00258650-01 196702350 tox21-ror-cho-viability-p1 set1 4 6.2937800433 -6.50219014 -0.5 -7.00219014 4.9549173134 0.4063312327 0.2839448681 3.50889405 1.304468 0.58327788 -2.77279321 -1.42485761 -3.46014652 1.14808892 -3.1550171 -3.33623592 1.06842679 0.90998764 -6.31493849 -13.33515845 -0.90059394 -1.76680772 1.2089999999E-9 2.7039999999E-9 6.047E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.0000189 0.00004225 0.00009448 478-43-3 10168 144208296 A A Rhein O=C(O)c3cc2C(=O)c1cccc(O)c1C(=O)c2c(O)c3 Tox21_201098 -NCGC00258038-01 196702337 tox21-ror-cho-viability-p1 set1 4 29.5196517289 -10.446339312 -0.5 -10.946339312 4.9549173134 0.4792002507 0.2160713176 2.45966981 -2.59215126 1.95245442 -2.26793933 -2.83298684 0.7070498 1.77208788 -0.07444509 1.62365553 -7.36489401 1.07974447 0.79363748 -0.75529852 -9.95528276 10.37343274 1.144E-9 2.5579999999E-9 5.721E-9 1.2789999999E-8 2.8599999999E-8 6.396E-8 1.4299999999E-7 3.1979999999E-7 7.1509999999E-7 0.0000015989999999 0.000003575 0.000007995 0.000017879999999 0.000039979999999 0.00008939 7791-25-5 24648 144207682 Sulfuryl chloride ClS(Cl)(=O)=O Tox21_200484 -NCGC00258618-01 196702336 tox21-ror-cho-viability-p1 set1 4 3.66841291 -0.14908351 0.05211476 3.53618022 -14.42614855 5.28715209 0.03797546 2.60985538 -1.11122856 -1.54788016 0.48034835 3.9718026 -1.92783471 -0.39302978 2.70334272 1.212E-9 2.71E-9 6.059E-9 1.3549999999E-8 3.029E-8 6.774E-8 1.515E-7 3.387E-7 7.5729999999E-7 0.000001693 0.000003787 0.000008467 0.00001893 0.00004234 0.00009467 2160-93-2 62430 144208263 A A 2,2'-(tert-Butylimino)diethanol CC(C)(C)N(CCO)CCO Tox21_201065 -NCGC00258284-01 196702343 tox21-ror-cho-viability-p1 set1 4 -0.20894435 0.18471172 -1.33498648 -0.73495507 -1.07768545 -0.24165409 -9.1955028 -7.60384811 -1.37530013 -8.77142825 -1.41601053 -3.37153469 1.56513984 -3.30882641 -0.99315232 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.6509999999E-8 1.487E-7 3.325E-7 7.436E-7 0.000001663 0.000003718 0.000008313 0.00001859 0.00004157 0.000092939999999 554-12-1 11124 144207928 FNS Methyl propanoate CCC(=O)OC Tox21_200730 -NCGC00258392-01 196702760 tox21-ror-cho-viability-p1 set1 4 3.71371577 0.80607229 0.2416886 5.66574258 2.00882127 2.91207031 5.81279258 3.90301669 8.46684783 2.12186206 1.24104761 2.45337861 5.40437405 5.27181223 3.48182271 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_31209 6410 144208036 A A tert-Butyl hydroperoxide (70% Solution in Water) CC(C)(C)OO Tox21_200838 -NCGC00258111-01 196702766 tox21-ror-cho-viability-p1 set1 4 54.4826732819 -12.4003440879 4 -8.4003440879 3.9899729863 0.6376334564 0.0724951977 4.23177338 0.97270719 2.72951961 5.41560047 0.20959688 5.35260284 7.56491313 5.68254082 4.052194 2.30911089 8.5981492 2.97368295 4.08770967 0.77611717 -7.00028674 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.000003688 0.000008248 0.00001844 0.00004124 0.000092209999999 79-95-8 6619 144207755 A A 2,2',6,6'-Tetrachlorobisphenol A Clc1cc(cc(Cl)c1O)C(C)(C)c2cc(Cl)c(O)c(Cl)c2 Tox21_200557 -NCGC00091253-05 196702773 tox21-ror-cho-viability-p1 set1 4 4.1960186372 6.248120568 1.251879432 7.5 0.8999999999 0.48430343 0.2131757609 5.05676544 2.22051651 -1.08890138 -2.70676714 2.77711362 2.07960164 1.5128852 0.38943798 4.4151855 0.98507019 4.09296104 5.7896343 7.52495279 5.40881018 3.53975785 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00258302-01 196702775 tox21-ror-cho-viability-p1 set1 4 13.09650837 8.01111228 1.29027042 -0.14481731 0.52109082 0.69149987 2.4252023 1.38216764 8.42816445 1.3965788 8.24504478 -4.77271797 0.65259704 10.25261366 1.56060419 1.155E-9 2.582E-9 5.7739999999E-9 1.291E-8 2.887E-8 6.4549999999E-8 1.443E-7 3.2279999999E-7 7.217E-7 0.000001614 0.0000036089999999 0.000008069 0.000018039999999 0.00004035 0.00009022 23783-42-8 90263 144207946 A A 2,5,8,11-Tetraoxatridecan-13-ol COCCOCCOCCOCCO Tox21_200748 -NCGC00260384-01 196703185 tox21-ror-cho-viability-p1 set1 4 -2.31871848 0.84736023 2.64934399 -0.39486966 -5.34560851 1.17666788 -3.52141032 7.18898131 1.87581164 0.06624205 6.61347569 2.24537955 -8.19111175 -0.17214994 -1.32984266 5.899E-11 1.319E-10 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 50-63-5 64927 144210036 Z A Chloroquine bis(phosphate) O=P(O)(O)O.O=P(O)(O)O.CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 Tox21_202838 -NCGC00258205-01 196703190 tox21-ror-cho-viability-p1 set1 4 11.7889764869 -20.7803177719 3 -17.7803177719 0.3 0.5273173728 0.154741203 5.56409855 3.75217969 -3.71553812 -0.21111888 -0.19232757 -4.82874322 -0.14256305 -0.46618245 3.07366335 -12.34606353 -2.4439178 -4.01266342 -13.15026481 -6.42136972 -11.88381734 1.1469999999E-9 2.564E-9 5.733E-9 1.282E-8 2.867E-8 6.41E-8 1.433E-7 3.205E-7 7.1659999999E-7 0.000001602 0.000003583 0.000008012 0.00001792 0.00004006 0.000089579999999 101-14-4 7543 144207849 A A 4,4'-Methylenebis(2-chloroaniline) Nc2ccc(Cc1ccc(N)c(Cl)c1)cc2Cl Tox21_200651 -NCGC00254749-01 196699463 tox21-ror-cho-viability-p1 set1 4 0.0153553036 11.987360928 -9.987360928 2 4.4494702849 0.8277008555 0.0042252396 -8.69567432 -9.81732881 -11.23946744 -5.39846537 2.68473237 0.45661271 1.64405102 -0.04444765 0.09374657 0.08330561 -0.62421526 0.36627662 4.56617968 2.04955989 7.89479102 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 116-06-3 2086 144211163 A A Aldicarb CC(C)(\C=N\OC(=O)NC)SC Tox21_300846 -NCGC00091253-05 196699053 tox21-ror-cho-viability-p1 set1 4 14.8880359393 12.201468432 -1.201468432 11 3.5117481694 0.8559471064 0.0018907907 1.46229375 1.28246888 0.16202987 -5.16789036 -2.69318597 -2.51165026 -1.529083 -1.09952019 -0.21903946 -0.87293693 0.17614139 -2.52377697 8.28355313 9.60198572 11.44093922 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00016018-10 196725830 tox21-ror-cho-viability-p1 set3 4 0.77546084 1.89093913 -0.85610009 0.83230847 -2.04342057 -0.93023915 1.10172185 -0.06137746 -6.23261914 -1.300153 1.09209406 0.27241746 2.10592043 0.21275048 -0.34252203 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 522-48-5 10648 170464943 A Tetrahydrozoline hydrochloride Cl.C2CCC(C1=NCCN1)c3ccccc23 Tox21_110450_1 -NCGC00274275-01 196725409 tox21-ror-cho-viability-p1 set3 4 0.026603212 5.7821129919 -4.2821129919 1.5 4.9549173134 0.3135426452 0.3555965979 1.95501586 0.23786892 -10.23509416 -5.17811341 -8.35529895 0.35605013 4.79896925 2.10404488 1.33656827 -1.080532 -1.25192848 -5.11038688 7.210087 0.31441408 3.87063077 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 73803-48-2 72187527 170466047 A A Tripamide NS(=O)(=O)c1cc(ccc1Cl)C(=O)NN3C[C@@H]4C2CC[C@@H](C2)[C@@H]4C3 Tox21_113978 -NCGC00016959-06 196725814 tox21-ror-cho-viability-p1 set3 1.2 0.9439175816 49.7474715134 -1.6451201959 48.1023513175 1.24751 0.9754969878 1.529E-7 0 1.56836371 -3.1040353 -1.39785591 -4.05956532 0.33688425 -3.29699116 -1.14612033 15.8776861 19.30325251 34.59892416 41.40596414 39.261893 51.41327092 47.76246657 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 93107-08-5 62999 170464757 A Ciprofloxacin Cl.O=C(O)C2=CN(c1cc(c(F)cc1C2=O)N3CCNCC3)C4CC4 Tox21_110712_1 -NCGC00160434-02 196725834 tox21-ror-cho-viability-p1 set3 4 0 0 -4.34137302 1.31112406 2.87598479 1.08406948 0.8193735 -3.99729374 -3.40439551 -6.57849607 -0.93462694 -6.85280554 -2.24733992 -1.91235095 2.59835771 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64204-55-3 68835 170466195 A Esaprazole O=C(CN1CCNCC1)NC2CCCCC2 Tox21_111808_1 -NCGC00090851-10 196726240 tox21-ror-cho-viability-p1 set3 -2.2 10.5909294584 -36.9039592022 -4.157005693 -41.0609648952 1.713743691 0.7929817113 0.0091646495 -3.21196136 0 -5.11023374 -9.33497993 -7.2870255 -8.67112012 -5.47555585 -14.76988273 6.56943113 6.60429825 -6.84275672 -11.81471293 -22.47867587 -28.81616875 -39.96575868 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 320-67-2 9444 170465076 Z 5-Azacitidine NC1=NC(=O)N(C=N1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O Tox21_111032_1 -NCGC00256959-01 196726657 tox21-ror-cho-viability-p1 set3 4 -2.31799253 -0.62521149 0.44247503 -0.6891475 1.18020377 -0.15348996 -0.23804552 -2.61471049 -2.2600516 0 -4.02995297 -0.98570918 -2.3619784 -2.84297445 -6.41365162 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 960-71-4 70400 144213530 F F Triphenylborane c1ccccc1B(c2ccccc2)c3ccccc3 Tox21_303213 -NCGC00256751-01 196726665 tox21-ror-cho-viability-p1 set3 4 -2.04120141 -0.14414024 -0.71787752 0.15598227 4.3917828 -0.06729491 4.40613294 7.26427058 5.99197803 5.04188202 4.62616926 7.38337933 6.39064097 7.05442872 6.47654178 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-98-2 8499 144212999 A F Methyl 4-methoxybenzoate COc1ccc(cc1)C(=O)OC Tox21_302682 -NCGC00260146-01 196711752 tox21-ror-cho-viability-p1 set2 -2.4 60.9441122888 -27.193500588 -1 -28.193500588 1.6604358099 0.9194052175 0.0001085621 -0.95175366 -0.72459559 -0.35584216 -2.21424234 -0.86346546 0.36510419 -3.83236201 -2.57543992 -0.38033739 -0.6188433 -1.49172707 -0.43798145 -7.47212248 -8.4594931 -20.16125049 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.3529999999E-7 0.0000016439999999 0.0000036769999999 0.000008221 0.000018379999999 0.00004111 0.00009192 7411-49-6 23892 144209796 A F 3,3',4,4'-Tetraaminobiphenyl tetrahydrochloride Cl.Cl.Cl.Cl.Nc1ccc(cc1N)c2ccc(N)c(N)c2 Tox21_202598 -NCGC00357142-01 196711336 tox21-ror-cho-viability-p1 set2 4 -2.98160078 6.35402137 4.92959957 -2.13338469 5.43303674 0.88374599 -0.58483507 2.10186938 0.76985932 -2.64770849 2.03349099 0.42788836 1.56173918 0.85489514 9.71352169 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-91-2 6993580 251919965 A Diethyl L-tartrate O[C@H]([C@@H](O)C(=O)OCC)C(=O)OCC Tox21_303884 -NCGC00260058-01 196711343 tox21-ror-cho-viability-p1 set2 -2.4 1.8837463074 -34.774263718 -4 -38.774263718 0.9999999999 0.524546477 0.6778003401 -2.13282662 -1.83674534 -2.19022946 -0.81954871 -1.62251337 -6.64568238 -23.25015515 -7.60740494 -3.27405017 0 -35.81383615 -8.6107637 -5.23106586 -30.89884105 -5.29520617 5.9E-10 1.319E-9 2.95E-9 6.596E-9 1.4749999999E-8 3.298E-8 7.375E-8 1.6489999999E-7 3.687E-7 8.245E-7 0.000001844 0.000004123 0.0000092179999999 0.000020609999999 0.00004609 3648-20-2 19283 144209707 F Fns Diundecyl phthalate O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC Tox21_202509 -NCGC00260511-01 196711344 tox21-ror-cho-viability-p1 set2 4 -0.58833229 -3.45427667 -4.2605346 1.00125707 -3.80232702 0.1084509 -0.62005515 -6.82490969 -0.00455146 0.64847588 -0.48310622 -6.67477623 -0.4557819 -13.22482562 -0.63996781 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.0000082699999999 0.000018489999999 0.00004135 0.000092459999999 1468-95-7 73848 144210163 C F 9-Anthracenemethanol OCc2c3ccccc3cc1ccccc12 Tox21_202965 -NCGC00260598-01 196712176 tox21-ror-cho-viability-p1 set2 4 -1.0701598 -0.92865029 -3.77389494 0.10177075 -1.5085719 0 -15.73655438 -21.07687556 -6.23290211 -17.27703145 -5.24214539 -26.51551227 0 0.97588297 -5.43715632 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49494 144210251 M M NTP Mix1 AR1 4-EQP Tox21_203053 -NCGC00257081-01 196719188 tox21-ror-cho-viability-p1 set2 4 1.42824656 1.11846544 3.4745596 0.52630514 3.18158339 -0.85424963 2.70409463 1.34075036 4.92460086 9.28004587 -1.52118871 -1.49303426 4.70689862 1.48961596 0.49220203 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-83-7 7582 144213414 A Fc Dicyclohexylamine C1CCCCC1NC2CCCCC2 Tox21_303097 -NCGC00256859-01 196719191 tox21-ror-cho-viability-p1 set2 4 61.130564862 -20.378414656 2.5 -17.878414656 4.5044702849 0.7783525929 0.0122210388 -0.22883727 0.68034131 1.32969319 1.02081102 1.26317773 5.38249545 0.04712238 6.53477503 5.17821377 1.80238092 7.3273922 1.39332043 0.82412347 -0.41432943 -14.89867888 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 28588-75-2 526624 144212906 A Bc Bis(2-methyl-3-furyl)disulfide Cc2occc2SSc1ccoc1C Tox21_302589 -NCGC00257055-01 196719192 tox21-ror-cho-viability-p1 set2 4 1.59344797 -3.66031745 4.19492012 -0.56266475 -12.67603942 -2.97050099 0.57460038 -0.61234065 -9.00805794 -2.44487493 -3.59993373 4.66901968 1.12856709 1.79203086 0.73156892 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 760-67-8 79103 144213575 F F 2-Ethylhexanoyl chloride CCCCC(CC)C(Cl)=O Tox21_303258 -NCGC00256863-01 196719198 tox21-ror-cho-viability-p1 set2 4 0.12253854 -1.66095417 0.24110773 3.64002412 1.12077983 2.68181917 0.93928287 2.10282719 2.23198947 1.80673415 5.091178 4.91181229 2.75535799 4.38991658 3.76045464 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-41-1 31255 144212964 AC Ac Choline hydroxide [OH-].C[N+](C)(C)CCO Tox21_302647 -NCGC00256671-01 196719207 tox21-ror-cho-viability-p1 set2 4 -3.28329803 -3.60608895 -5.61452059 1.12492065 -2.67147593 -8.91100581 -2.01064772 -12.2385595 -6.43689361 -4.37661975 -1.61463025 -2.24655199 -1.78250461 -1.01641566 0.12529751 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 108-29-2 7921 144212941 A 4-Pentanolide O=C1CCC(C)O1 Tox21_302624 -NCGC00163735-04 196719210 tox21-ror-cho-viability-p1 set2 4 -2.58128352 -0.58144689 -0.25659573 -0.31960582 4.819973 4.2742283 2.33693155 6.96867665 1.14682717 0.80593507 3.19892185 1.65846312 -4.34670325 0.02971527 -2.12117405 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00090780-04 196720047 tox21-ror-cho-viability-p1 set3 1.4 0.0068589622 18.06324022 -20.06324022 -2 0.7 0.7127984236 0.0328073638 -16.29726768 -16.71936685 -10.78109529 -4.22119802 -5.87872489 -9.88787567 -2.88596361 -4.6471765 0.71045308 -4.52621981 -2.93683519 -0.34459943 -6.27726029 -2.46656188 -5.47010971 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00090942-03 196715058 tox21-ror-cho-viability-p1 set2 -2.1 54.4826732819 -98.9952387478 -0.426147407 -99.4213861548 3.1924983358 0.9947114522 0 -2.50042158 -0.84315519 -2.22918539 0.24769506 -2.4220283 -0.54689546 -1.87717017 0.98769668 -0.69946121 0.57220016 0.59781812 -0.87325351 0.49092303 -30.70626379 -83.27377739 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00091205-03 196714241 tox21-ror-cho-viability-p1 set2 4 0.1292117785 -4.459579776 -1 -5.459579776 4.9549173134 0.3681559887 0.3209436869 -1.01556513 -0.48639046 -0.46102126 -3.10657373 -1.47411607 -1.19027431 -0.34401723 -10.24458381 -11.21631648 -4.23794705 -5.08138031 -6.31715552 -2.09663741 0.04164889 1.51418705 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00254669-01 196714650 tox21-ror-cho-viability-p1 set2 4 -0.99209705 -1.7040503 -0.38956022 -0.72186451 2.33445679 1.2378179 -2.00314601 1.20117614 0.32505248 1.75798961 0.76958201 5.09169824 -0.70666169 0.11925195 -1.97594457 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 145701-21-9 3081304 144211082 A A Diclosulam Clc3cccc(Cl)c3NS(=O)(=O)c1nc2cc(F)nc(OCC)n2n1 Tox21_300765 -NCGC00254589-01 196714653 tox21-ror-cho-viability-p1 set2 4 34.3762428541 28.253498192 -4.253498192 24 0.7999999999 0.6541089591 0.0616611295 -9.37791516 -5.55096744 -1.42589665 -0.06341854 -5.79735884 -5.4610054 -6.22614966 -0.11185104 -0.87091848 -2.89311841 -2.94404363 13.29335269 -2.8676381 10.05146048 18.51031339 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25606-41-1 15575641 144210998 A A Propamocarb hydrochloride Cl.O=C(NCCCN(C)C)OCCC Tox21_300681 -NCGC00254861-01 196715063 tox21-ror-cho-viability-p1 set2 4 0.0237101377 -7.8556237 -0.5246239639 -8.3802476639 4.9549173134 0.6505190264 0.075897997 -0.8776781 -0.02051997 -0.22959527 -0.24417724 -1.24559131 -7.00486641 -13.23353972 -9.25554619 -2.59453699 -10.29480748 -12.26527542 -7.15669032 -5.75593694 -4.7918895 -0.87392451 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 116714-46-6 93541 144211276 A A Novaluron Clc1cc(ccc1OC(F)(F)C(F)OC(F)(F)F)NC(=O)NC(=O)c2c(F)cccc2F Tox21_300959 -NCGC00254386-01 196720031 tox21-ror-cho-viability-p1 set3 4 1.70726058 2.33525799 -1.6675551 5.52934798 1.620008 -1.89514294 0.1907356 0.93663459 -0.14233876 6.77785951 1.76318214 6.54689498 3.36929531 -0.18475721 0.81129036 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1338-43-8 9920342 144210707 D Sorbitan, mono-(9Z)-9-octadecenoate O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)[C@H]1OC[C@H](O)[C@H]1O Tox21_300389 -NCGC00244580-01 196721644 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -15.61493446 -1.5 -17.11493446 3.9899729863 0.4106261547 0.2628528906 -2.49817464 -2.01885049 0.03464252 9.62892251 -1.91922311 -3.26182094 -2.56600777 -0.19340386 -5.43056752 -0.20450158 -2.53472514 -4.1946781 -1.40635579 -2.49735398 -12.17911205 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00259026-01 196722029 tox21-ror-cho-viability-p1 set3 -2.1 34.8589609869 -85.631042496 -2.958121944 -88.58916444 0.9999999999 0.929928534 0.0000516147 -5.23847927 -3.03054047 -0.39107727 -6.18495451 -7.72213023 0.02202166 0.75691574 -0.75805199 -7.39559968 -7.38767816 -5.82875421 -28.77658893 -39.50119494 -38.25754162 -73.8243037 1.314E-9 2.938E-9 6.569E-9 1.469E-8 3.284E-8 7.344E-8 1.642E-7 3.672E-7 8.211E-7 0.000001836 0.000004105 0.0000091799999999 0.00002053 0.0000459 0.00010259999999 75330-75-5 53232 144208673 A A Lovastatin C[C@@H](CC)C(=O)O[C@H]2C[C@@H](C)C=C3C=C[C@H](C)[C@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@@H]23 Tox21_201475 -NCGC00259002-01 196722044 tox21-ror-cho-viability-p1 set3 4 -7.39755326 -4.4312731 -3.50571725 -5.61539629 -2.86731807 -5.53594694 -4.76875981 -3.77746752 -4.69444973 -5.49135266 -3.39068381 -4.25563877 -4.64484525 -2.45369825 0.86731546 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.952E-8 6.6E-8 1.476E-7 3.3E-7 7.379E-7 0.0000016499999999 0.00000369 0.0000082499999999 0.000018449999999 0.00004125 0.000092239999999 34014-18-1 5383 144208649 A A Tebuthiuron CC(C)(C)c1nnc(s1)N(C)C(=O)NC Tox21_201451 -NCGC00254776-01 196720023 tox21-ror-cho-viability-p1 set3 4 7.38547076 2.32657333 -4.46123139 10.02855612 3.44930881 4.17228859 0.77586866 12.23238222 -1.94218974 9.79907109 2.09399364 -1.29519183 -4.16477391 0.30330429 -0.77668474 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2226-96-2 137994 144211189 FC 4-Hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl OC1CC(C)(C)N([O])C(C)(C)C1 Tox21_300872 -NCGC00254454-01 196720024 tox21-ror-cho-viability-p1 set3 4 5.4335465 -0.88209056 -4.572036 -0.93855712 0.97582034 -5.56138279 5.26178187 12.86881626 8.08701453 0.64243438 10.87589863 -5.26197711 8.79422452 2.8312222 8.3084456 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 579-66-8 11369 144210651 A Fc 2,6-Diethylaniline CCc1cccc(CC)c1N Tox21_300333 -NCGC00254619-01 196720030 tox21-ror-cho-viability-p1 set3 4 0.0030637859 16.553437308 -16.553437308 0 0.3 0.5620988929 0.1267107695 -8.29773523 -13.79453109 -6.69397867 -0.14573911 -8.19563272 -6.34391506 -1.71237558 -2.72272696 -3.72015858 -4.92224977 -2.32786633 -0.83399998 0.07943093 -1.75067152 1.08898678 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15972-60-8 2078 144211030 A A Alachlor ClCC(=O)N(COC)c1c(cccc1CC)CC Tox21_300713 -NCGC00091663-03 196720034 tox21-ror-cho-viability-p1 set3 4 13.6854287769 17.3479084559 -7.3479084559 10 0.7 0.7539368813 0.0184093641 -10.80262243 -11.95659038 -6.27815661 -1.33418439 -7.51809295 -10.26463322 -5.5748083 -3.27917822 -3.0424038 -6.9380308 -1.71158963 -1.05275754 0.21363993 6.26752483 7.73516101 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00254449-01 196720039 tox21-ror-cho-viability-p1 set3 4 0.0158464707 -7.28536528 8 0.71463472 0.7999999999 0.353527738 0.3187300367 4.77598318 6.47381999 11.69231921 2.54423627 3.85347562 2.64554704 -1.4878044 0.10763224 8.97191349 2.30549531 -0.38213725 0.52855971 0.17346855 1.12106888 0.68554915 9.0839999999E-10 2.0309999999E-9 4.5419999999E-9 1.016E-8 2.271E-8 5.0779999999E-8 1.135E-7 2.539E-7 5.677E-7 0.00000127 0.000002839 0.0000063479999999 0.00001419 0.00003174 0.000070969999999 50892-23-4 5694 144210951 A A Pirinixic acid Cc2cccc(Nc1cc(Cl)nc(SCC(=O)O)n1)c2C Tox21_300634 -NCGC00254417-01 196720434 tox21-ror-cho-viability-p1 set3 4 4.92109741 2.10942159 -0.3763235 12.24068278 3.04715372 3.63681138 0.99449299 6.92698628 -1.24823663 5.02511854 2.86192025 -0.78227946 0.6057234 2.32878714 3.4490604 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_47394 20725980 144210947 A Ac Grinstad Soft-N-Safe O=C(C)OC(COC(C)=O)COC(=O)CCCCCCCCCCC(CCCCCC)OC(C)=O Tox21_300630 -NCGC00254558-01 196720433 tox21-ror-cho-viability-p1 set3 4 0.002730602 12.551088712 -14.051088712 -1.5 1.0999999999 0.5744190583 0.1171854799 -9.68064242 -10.87590726 -2.61282499 -0.6122894 -5.7713759 -5.19004112 -0.40876946 -2.00254069 -1.41599106 0.95474523 1.06699235 -2.89082845 -2.28747231 -3.61179687 2.59868077 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60168-88-9 43226 144210967 A A Fenarimol OC(c1ccccc1Cl)(c2cncnc2)c3ccc(Cl)cc3 Tox21_300650 -NCGC00091080-03 196720438 tox21-ror-cho-viability-p1 set3 4 1.85409544 -5.16324851 -1.86916365 5.39433726 -4.26187749 -3.9202404 -1.00485142 -3.785899 -3.53989512 -0.36920682 10.83082715 1.49031149 -3.56212341 3.50786045 1.35215959 1.1199999999E-9 2.5029999999E-9 5.5979999999E-9 1.2519999999E-8 2.799E-8 6.259E-8 1.399E-7 3.129E-7 6.9969999999E-7 0.0000015649999999 0.000003499 0.000007823 0.000017489999999 0.00003912 0.00008747 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00255528-01 196700708 tox21-ror-cho-viability-p1 set1 4 0.20673231 -3.09205949 -3.50716985 -3.04758987 -1.53126532 -3.10127475 -3.34135208 -1.51493373 -0.21127731 -2.12667827 0.91941378 -2.62462955 -3.64378581 -2.60919649 -8.05809085 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6358-64-1 22833 144212042 A A 2,5-Dimethoxy-4-chloroaniline COc1cc(N)c(cc1Cl)OC Tox21_301725 -NCGC00253664-01 196704433 tox21-ror-cho-viability-p1 set1 4 2.79750792 0.15869387 0.49194848 -0.52753036 0.64688855 -0.13334384 0.54778764 1.08894388 0.39951573 -0.73492573 1.36498485 1.62384718 0.83799489 2.21245543 -0.83723161 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14205-39-1 84253 170466714 F B Methyl 3-aminobut-2-enoate CC(N)=CC(=O)OC Tox21_113788 -NCGC00255680-01 196700722 tox21-ror-cho-viability-p1 set1 4 -2.94386998 -1.28793389 2.46959525 1.19637106 2.42847833 -0.16934714 2.28713122 1.82460461 2.76896306 3.62862312 3.4857414 2.40032835 1.31338063 2.0811145 2.11303826 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 867-13-0 13345 144212370 A Triethyl phosphonoacetate O=P(CC(=O)OCC)(OCC)OCC Tox21_302053 -NCGC00066947-05 196700703 tox21-ror-cho-viability-p1 set1 4 1.69911581 1.37396631 1.04026303 -3.11247937 -1.09309904 -2.10593507 0.97376108 2.17453062 -0.86967463 -0.85020861 -2.99305839 1.4447631 0.44507291 1.74129586 -1.90424658 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00255612-01 196700715 tox21-ror-cho-viability-p1 set1 4 -0.12654488 -3.55715961 3.40551324 1.08417693 4.06080538 3.27236325 0.30032273 -4.35659184 1.15283943 7.65598671 -0.20837848 0.53698971 -0.28761372 2.05673199 6.78345882 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7646-85-7 5727 144211809 Zinc chloride Cl[Zn]Cl Tox21_301492 -NCGC00255991-01 196701119 tox21-ror-cho-viability-p1 set1 4 -9.3663532 -2.21407221 -8.04473995 -5.2393367 -4.85306635 -3.48346206 -8.01155005 -6.32580771 -7.15408085 -7.84214071 -6.76237013 -3.2623531 -2.75603343 -3.55299313 0.36824976 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 128-09-6 31398 144211685 F N-Chlorosuccinimide O=C1CCC(=O)N1Cl Tox21_301368 -NCGC00255246-01 196701128 tox21-ror-cho-viability-p1 set1 -2.2 30.6378586933 -37.7689404221 0.4121771579 -37.3567632642 1.692447691 0.9499322733 0.0000084853 1.3957364 1.36936342 0.93684038 -0.34624524 4.25395071 -4.98940688 0.329755 0.84620639 0.78610259 0.48724354 -1.15482613 -4.72442511 -13.09661288 -20.05233625 -36.62427771 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 125116-23-6 86210 144212590 A A Metconazole Clc1ccc(cc1)CC3CCC(C)(C)C3(O)Cn2cncn2 Tox21_302273 -NCGC00256181-01 196701138 tox21-ror-cho-viability-p1 set1 4 1.49071913 0.32990286 1.71761166 0.57500495 6.71528552 2.62516745 0.19724236 3.55875932 1.28484151 7.40569199 3.22974981 0.64798983 0.22829315 0.28827051 2.97028578 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 947-19-3 70355 144211779 A A (1-Hydroxycyclohexyl)(phenyl)methanone O=C(c1ccccc1)C2(O)CCCCC2 Tox21_301462 -NCGC00258018-01 196701539 tox21-ror-cho-viability-p1 set1 4 27.667411695 -10.064836416 1 -9.064836416 4.9549173134 0.4366095351 0.2559315998 -5.4723985 0.63470458 0.25801413 -1.17874759 0.42591462 1.15832761 4.76846688 6.51098601 2.98788892 0.57265122 -0.31440079 -0.61966571 0.19037537 -8.38736368 4.06376391 1.193E-9 2.6689999999E-9 5.967E-9 1.3339999999E-8 2.9839999999E-8 6.671E-8 1.4919999999E-7 3.3359999999E-7 7.4589999999E-7 0.000001668 0.0000037289999999 0.000008339 0.00001865 0.0000417 0.00009324 22984-54-9 9568808 144207662 D 2-Butanone, O,O',O''-(methylsilylidyne)trioxime CCC(\C)=N\O[Si](C)(O\N=C(/C)CC)O\N=C(/C)CC Tox21_200464 -NCGC00258359-01 196701550 tox21-ror-cho-viability-p1 set1 4 2.05653367 0.07575284 -0.67353812 2.23093192 -0.54276007 7.02289777 7.17114438 2.46871198 7.70204975 4.87727224 1.13558805 -0.00796375 5.95455258 2.21168478 -0.47606002 1.2049999999E-9 2.694E-9 6.0249999999E-9 1.347E-8 3.012E-8 6.736E-8 1.506E-7 3.368E-7 7.5309999999E-7 0.0000016839999999 0.000003766 0.0000084199999999 0.000018829999999 0.0000421 0.000094139999999 610-15-1 11876 144208003 A A 2-Nitrobenzamide O=[N+]([O-])c1ccccc1C(N)=O Tox21_200805 -NCGC00258015-01 196701551 tox21-ror-cho-viability-p1 set1 4 15.1836929739 -13.256975368 1 -12.256975368 3.5117481694 0.4548851368 0.2369740475 4.64446824 1.04141997 -8.3793649 6.08068254 -6.55314674 -1.19626417 3.96625097 2.34786837 7.47613301 0.12696118 1.43782732 1.72766114 -8.26877192 -11.46414614 2.90047786 1.1689999999E-9 2.615E-9 5.8469999999E-9 1.3069999999E-8 2.9239999999E-8 6.537E-8 1.462E-7 3.269E-7 7.309E-7 0.0000016339999999 0.0000036539999999 0.0000081709999999 0.00001827 0.00004086 0.000091359999999 6422-86-2 22932 144207659 A F Bis(2-ethylhexyl) terephthalate CCC(CCCC)COC(=O)c1ccc(cc1)C(=O)OCC(CC)CCCC Tox21_200461 -NCGC00090702-02 196701951 tox21-ror-cho-viability-p1 set1 4 0.0172289341 -5.7315547159 -7.51082728 -13.2423819959 1.9673362061 0.349823064 0.3379317978 -10.08273018 -6.98302506 -6.50727367 -9.12512019 -13.97934526 -9.43816004 -17.28531833 -14.03339762 -5.4256894 -12.57093068 -15.88408247 -15.62152084 -15.23879468 -11.63838204 -8.18272121 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00257641-01 196701956 tox21-ror-cho-viability-p1 set1 4 27.3893479715 -20.758160108 -12.976958404 -33.735118512 0.7999999999 0.622936409 0.0812514804 -16.87813805 -13.31212883 -14.29881059 -10.57024558 -14.0764498 -7.48079867 -17.7263944 -20.54295346 -12.97241142 -14.68347064 -10.11325244 -21.42927202 -24.35273183 -23.5749503 -28.11259876 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004132 0.0000924 19952-47-7 29872 144207285 A A 2-Amino-4-chlorobenzothiazole Clc2cccc1sc(N)nc12 Tox21_200087 -NCGC00015496-08 196713832 tox21-ror-cho-viability-p1 set2 4 -5.23509468 -0.25801917 0.20805071 -0.07591988 1.84782908 -4.68271705 -0.70072772 0.36506854 0.12302504 0.2069757 1.84563647 -0.0650259 0.12301189 1.58828591 3.66663033 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60-26-4 3604 170465837 F N,N,N,N',N',N'-Hexamethylhexane-1,6-diaminium C[N+](C)(C)CCCCCC[N+](C)(C)C Tox21_112036_1 -NCGC00015236-04 196713021 tox21-ror-cho-viability-p1 set2 4 0.0943917582 -16.294832272 11 -5.294832272 0.2 0.797716123 0.0085633749 8.59400009 4.14786069 5.65960503 4.50611484 4.71286503 1.24214559 4.80588193 5.25624366 0.83484381 0.66714757 0.21069106 0.03187138 -0.770933 -0.52365733 -2.74569356 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 137160-11-3 60839 170466443 A Aptiganel hydrochloride Cl.CN(C(=N)Nc2cccc1ccccc12)c3cc(CC)ccc3 Tox21_111220_1 -NCGC00015718-12 196713420 tox21-ror-cho-viability-p1 set2 4 -2.99387506 -3.15385021 -2.79804347 -4.27556074 -2.54695948 -0.76515838 -1.08904553 -3.7741377 -1.60422741 -2.33360796 -0.15422565 -2.3449365 -6.68265927 -8.00188865 -5.09414917 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57149-07-2 4418 170466026 A Naftopidil OC(CN1CCN(CC1)c2ccccc2OC)COc4cccc3ccccc34 Tox21_110205_1 -NCGC00166106-03 196713423 tox21-ror-cho-viability-p1 set2 4 -0.38145996 -0.72914896 0.30076503 -0.96192111 -0.32275204 1.81423883 0.72151241 0.93593792 0.51066704 2.05762331 0.13003258 -0.41447949 -0.55945944 -0.69811265 3.70941848 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2398-81-4 16976 170466130 A Nicotinic acid 1-oxide [O-][n+]1cccc(c1)C(O)=O Tox21_112319_1 -NCGC00181129-06 196713834 tox21-ror-cho-viability-p1 set2 -2.4 16.7854920005 -21.110930788 -2.5 -23.610930788 1.6604358099 0.8311064306 0.0038644627 -5.7133965 -2.08940483 -2.51080343 -4.77116565 -2.88588875 -2.04082501 -3.85726914 -0.76511653 -0.68575387 -6.41384389 2.91251236 -6.00318526 -9.28302236 -13.73440625 -20.50910899 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 302962-49-8 3062316 170465390 A Dasatinib Cc4cccc(Cl)c4NC(=O)c3cnc(Nc1nc(C)nc(c1)N2CCN(CCO)CC2)s3 Tox21_112736_1 -NCGC00015159-11 196713836 tox21-ror-cho-viability-p1 set2 4 -8.48493029 -4.55160414 3.77841547 4.24819343 -8.48431084 0.90156632 1.37032964 -6.41270741 2.3857771 -1.6236668 -2.01156949 -1.30953147 0.00658454 -0.85837785 -5.59360846 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63659-18-7 2369 170465448 A Betaxolol hydrochloride CC(C)NCC(O)COc1ccc(cc1)CCOCC2CC2 Tox21_110091_1 -NCGC00024633-07 196713839 tox21-ror-cho-viability-p1 set2 4 4.08410057 -0.09181359 -2.29875118 -2.3247039 0.40543657 -0.91544033 -1.77136909 -3.5630276 -3.04179374 -0.58424382 -0.36467272 -2.95011883 -3.361494 -0.36320149 0.1202088 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 510-74-7 68186 170466454 A AMI-193 Fc1ccc(cc1)OCCCN2CCC4(CC2)C(=O)NCN4c3ccccc3 Tox21_110914_1 -NCGC00263455-01 196713848 tox21-ror-cho-viability-p1 set2 4 -4.71400287 -1.43896723 -4.25798801 -4.8169831 -4.23967491 1.72858116 -4.20638408 -5.25844851 2.66933694 -6.27859732 -5.53314923 -3.40333589 -0.20540021 0.14787135 0.08521298 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118499-70-0 6917941 170466448 A Ipidacrine hydrochloride hydrate Cl.O.Nc1c3CCCc3nc2CCCCc12 Tox21_112577_1 -NCGC00163818-04 196713854 tox21-ror-cho-viability-p1 set2 4 24.3365162115 -19.1296590479 -2 -21.1296590479 0.7 0.5116594247 0.1685986898 2.99781077 -6.92022973 -6.64980523 -7.30020949 -6.21508808 -6.23453298 -4.12444466 -1.17415136 -1.22193746 0.26895065 -7.7333452 -11.14197736 -8.69475754 -13.59398458 -15.94138254 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00254601-01 196714251 tox21-ror-cho-viability-p1 set2 4 8.6349217992 4.5305495679 -3.5305495679 1 1.9673362061 0.4678498205 0.2122367363 -1.58123662 -3.95954171 -0.75902599 -3.38075159 -7.94212464 -2.93515223 -4.30269508 -3.84631364 -1.67339494 -5.22900914 -0.74758141 -2.75590181 0.72078845 2.39927236 -0.26944225 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 646-06-0 12586 144211010 FNS 1,3-Dioxolane C1COCO1 Tox21_300693 -NCGC00091532-04 196714267 tox21-ror-cho-viability-p1 set2 -2.2 55.1482208978 -76.2875263278 1.9822184599 -74.3053078679 1.98874246 0.9855371392 7.2E-9 2.10169226 1.70888378 0.17126769 1.6473065 1.13711266 3.28404071 3.8859155 2.64432747 3.56797699 3.84476638 0.41862929 1.58919102 -10.93058092 -23.66994119 -56.2918999 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00090874-04 196714669 tox21-ror-cho-viability-p1 set2 4 -2.64275278 -8.3128802 -4.72496232 -4.49416949 -7.77732228 -7.47634225 -5.75130572 -3.89218023 -6.98398518 -1.54761944 -2.37058903 -4.25797968 -7.1927285 -5.98905316 -5.65836881 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00244579-01 196718802 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -32.397925536 -2.5 -34.897925536 3.0654483358 0.599531541 0.0971800678 -5.08360491 -2.81073122 -1.76211487 1.50245638 -6.12301384 -4.96319572 3.96601785 -10.52376817 -9.46015299 0.37908924 9.31834474 -1.54719476 -4.83162737 -8.30107186 -25.74827128 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00256475-01 196718797 tox21-ror-cho-viability-p1 set2 4 -1.38760416 0.86698556 -2.20160266 2.42893245 3.89991144 0.8777949 -0.64221604 4.81443835 1.95216836 2.3522589 0 5.93983762 0.99575514 1.70438908 3.01755645 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 8007-70-3 144213162 M M Anise oil Tox21_302845 -NCGC00257510-01 196718808 tox21-ror-cho-viability-p1 set2 4 0.41576615 0.48832783 -2.25725079 1.39950403 -1.69560136 -2.1130186 0.7194561 2.35124036 4.72799045 0.39103712 3.50626466 0.79318975 0.28852491 2.47585706 3.84474046 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5407-98-7 79414 144213831 A A Cyclobutyl phenyl ketone O=C(c1ccccc1)C2CCC2 Tox21_303524 -NCGC00257361-01 196719221 tox21-ror-cho-viability-p1 set2 4 2.35786738 2.01124056 2.55912866 -0.30419516 1.58314359 -0.21243361 1.19580677 2.62171019 0.61657033 -0.62824973 3.42136562 -0.9964139 -0.882772 -0.10386889 2.7810317 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55589-62-3 11074431 144213685 A A Acesulfame potassium [K+].CC1=CC(=O)[N-]S(=O)(=O)O1 Tox21_303370 -NCGC00254462-01 196719222 tox21-ror-cho-viability-p1 set2 4 -1.2435072 1.82900295 -1.72651895 -1.21194981 -1.83906846 2.71327809 -0.16274618 1.50270721 1.57728168 -0.4166397 6.52725067 4.97071721 0.62044961 2.23144145 2.911974 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-47-8 8434 144210653 A A Ethylparaben Oc1ccc(cc1)C(=O)OCC Tox21_300335 -NCGC00256911-01 196719233 tox21-ror-cho-viability-p1 set2 4 -7.15540248 -3.2027937 -5.82327928 -3.07185346 -2.8886936 0.06970612 0.02367845 0.87073979 -2.80387262 0.55085383 3.20053441 -6.27123416 -4.87498588 -3.38067711 -2.80544107 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58-56-0 6019 144212793 A A Pyridoxine hydrochloride Cl.Oc1c(CO)c(cnc1C)CO Tox21_302476 -NCGC00023654-13 196697343 tox21-ror-cho-viability-p1 set1 4 -2.47777837 -5.9423855 1.60568533 2.08280327 2.03985232 0.47451958 -2.44950118 -0.01208335 0.5208609 -0.81487472 0.04322846 -0.17094108 0.23815608 3.56309561 1.7645521 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62571-86-2 44093 170464644 F Captopril OC(=O)[C@@H]1CCCN1C(=O)[C@H](C)CS Tox21_110890_1 -NCGC00182994-01 196697382 tox21-ror-cho-viability-p1 set1 4 -0.92806687 -0.68750604 -4.13469643 -2.69772764 0.07464426 -2.27206491 -3.60673779 -2.20599624 -3.47562813 -4.9367548 -4.16873317 -1.49067307 0.42987026 -0.09597678 -0.62258926 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 21216-78-4 210301 144206808 A A Anacolin [I-].C[N+]1(CCCCC1)CC2COC(O2)(c3ccccc3)c4ccccc4 Tox21_113257 -NCGC00179424-04 196697386 tox21-ror-cho-viability-p1 set1 4 -0.12974455 0.51370483 1.4443552 -0.72644978 1.98195069 0.07960533 1.30732948 0.8854647 1.10317793 0.69766254 -0.22031874 0.8374155 -0.71000146 1.44933895 0.22954668 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3759-92-0 92968 170466509 Fc Furaltadone hydrochloride Cl.[O-][N+](=O)c1ccc(o1)/C=N/N2CC(OC2=O)CN3CCOCC3 Tox21_110538_1 -NCGC00016741-09 196697394 tox21-ror-cho-viability-p1 set1 4 -0.84753354 4.63840554 -1.81528401 -1.88878378 -0.90627113 0.10638361 0.22824582 -2.33955729 -0.09960623 -3.81711882 0.31451441 2.39452857 0.39438185 0.35265744 -0.02998154 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 19387-91-8 5479 170465196 A Tinidazole O=S(=O)(CCn1c(cnc1C)[N+]([O-])=O)CC Tox21_110586_1 -NCGC00274275-01 196697438 tox21-ror-cho-viability-p1 set1 4 26.6032120037 12.0365116799 -2.0365116799 10 2.09374246 0.7626434281 0.0163964419 -1.98606996 -5.0304264 -0.82938933 -2.44197524 -3.24251424 -1.68555661 -1.81649556 -1.20293374 -1.78309759 1.81025524 -2.32219053 -1.96273792 -0.17240401 2.19789538 7.46382012 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 73803-48-2 72187527 170466047 A A Tripamide NS(=O)(=O)c1cc(ccc1Cl)C(=O)NN3C[C@@H]4C2CC[C@@H](C2)[C@@H]4C3 Tox21_113978 -NCGC00091650-03 196697442 tox21-ror-cho-viability-p1 set1 4 2.31997243 3.45399556 0.12023893 0.30558714 3.05974984 0.95957167 1.95897049 2.25215983 1.43182989 -6.05296695 1.66576718 1.10629431 1.53409041 0.06296643 -3.32971264 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00163735-04 196697494 tox21-ror-cho-viability-p1 set1 4 86.3492179916 -21.6004874 -2 -23.6004874 1.21 0.4236689577 0.2498300766 -1.40028896 -2.59195031 -7.67766962 -0.34952305 -0.88264261 -6.28429641 -4.55157923 2.9618746 3.72975223 -1.10062529 -2.46312132 -3.78819271 -10.39958351 -1.17217425 -16.3337395 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00095082-06 196722459 tox21-ror-cho-viability-p1 set3 4 0.26603212 10.695290708 1.304709292 12 4.9549173134 0.6121019192 0.0884475665 1.70129799 -0.52137068 1.17481388 1.5723993 10.42363819 0.25042607 -3.49607559 1.02436701 11.79836681 11.01619994 10.27711003 9.52025103 6.27343725 12.26872572 21.52413143 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 96-83-3 3735 170465056 A Iopanoic acid Ic1cc(I)c(N)c(I)c1CC(CC)C(=O)O Tox21_110394_1 -NCGC00259253-01 196721665 tox21-ror-cho-viability-p1 set3 4 0.0213595014 -4.991074568 0 -4.991074568 4.9549173134 0.4591300458 0.2180774744 -3.38661348 0.54109808 -1.45385248 5.57428233 -6.80437894 -6.65451855 -7.49256214 -6.16544999 -3.19795046 -1.91837796 -2.32524859 -5.27448678 -5.92184597 -4.60846006 -4.61206007 1.165E-9 2.605E-9 5.824E-9 1.302E-8 2.912E-8 6.5109999999E-8 1.456E-7 3.256E-7 7.28E-7 0.000001628 0.00000364 0.000008139 0.0000182 0.0000407 0.000090999999999 106-48-9 4684 144208902 A A 4-Chlorophenol Oc1ccc(Cl)cc1 Tox21_201704 -NCGC00259126-01 196722070 tox21-ror-cho-viability-p1 set3 4 -15.31783775 -14.00779484 -10.64994964 -3.44066411 -6.25968222 -10.4005882 -10.89202822 -11.54742128 -4.60938907 -2.65667802 -8.93156871 -18.12457529 -13.57206973 -14.41762912 -25.54959615 1.194E-9 2.6689999999E-9 5.968E-9 1.3339999999E-8 2.9839999999E-8 6.672E-8 1.4919999999E-7 3.3359999999E-7 7.4599999999E-7 0.000001668 0.00000373 0.00000834 0.00001865 0.0000417 0.000093249999999 108-98-5 7969 144208775 A A Benzenethiol Sc1ccccc1 Tox21_201577 -NCGC00259539-01 196722076 tox21-ror-cho-viability-p1 set3 4 -3.53283612 -1.7245655 -4.10198213 -12.39069363 -2.67229737 -0.77546088 0.3328737 -2.68687379 -6.07576255 -2.31590234 -1.29026845 -5.10464559 -2.81932898 2.32520069 -1.36634461 1.182E-9 2.6429999999E-9 5.91E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.304E-7 7.387E-7 0.0000016519999999 0.0000036939999999 0.000008259 0.000018469999999 0.000041299999999 0.00009234 94-62-2 638024 144209188 A A Piperine O=C(/C=C/C=C/c1ccc2OCOc2c1)N3CCCCC3 Tox21_201990 -NCGC00181111-02 196722461 tox21-ror-cho-viability-p1 set3 2.4 33.4914596268 26.637761132 2.362238868 29 4.9549173134 0.7006572291 0.0378551621 0.01065457 0.15042544 4.87827233 6.14852561 0.66617624 -1.45951437 4.40570308 6.02700961 -0.54317728 7.90410243 4.89966147 -6.78146761 1.91209134 3.73907947 24.42159869 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94497-51-5 108143 170465883 A Tamibarotene O=C(O)c1ccc(cc1)C(=O)Nc2ccc3c(c2)C(C)(C)CCC3(C)C Tox21_112725_1 -NCGC00091775-03 196722468 tox21-ror-cho-viability-p1 set3 -2.2 34.3762428541 -39.029661032 -2.5 -41.529661032 0.9999999999 0.9238281875 0.0000802345 -0.38003883 -4.66768588 -3.7674415 -0.20474481 -1.24745247 0.01562566 -0.70876265 -0.98649082 -5.9032472 -10.28035453 -4.90219505 -10.26524436 -15.93681189 -20.61145127 -34.60805086 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00094851-05 196722469 tox21-ror-cho-viability-p1 set3 4 26.6032120037 16.9222058641 0.5777941359 17.5 3.9899729863 0.6361361996 0.0728875692 8.23853421 -4.10183822 4.12457332 -0.86432148 -0.15804674 3.42044171 1.77463196 -0.88584988 0.0100911 -0.21236766 2.37724034 -3.32185151 -0.90142534 4.87599815 16.08329583 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 440-58-4 3723 170465213 F Iodamide O=C(C)Nc1c(I)c(c(I)c(CNC(C)=O)c1I)C(=O)O Tox21_111346_1 -NCGC00091151-04 196722471 tox21-ror-cho-viability-p1 set3 4 -3.80410421 -6.95691148 -0.38310067 -0.47563196 -3.92473983 -0.87041108 -0.01370692 -1.31129256 -0.55393775 6.66512188 6.65456237 -6.21460311 -5.35106897 0.07768725 -4.31657197 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122-59-8 19188 170465537 Ac Phenoxyacetic acid O=C(O)COc1ccccc1 Tox21_111092_1 -NCGC00160678-03 196722480 tox21-ror-cho-viability-p1 set3 4 1.1883218301 -13.4561102279 0 -13.4561102279 1.287561 0.8652729243 0.0022195439 -0.12522338 -2.29953444 -0.31081459 1.18572862 0.60499046 0.81629596 -1.88514742 -0.11181241 -1.40448503 -7.83226973 -4.92657815 -12.00990631 -16.21342519 -10.43876035 5.31890899 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 37561-27-6 72098 170466194 A Fenoverine O=C(CN3CCN(Cc1ccc2OCOc2c1)CC3)N4c6ccccc6Sc5ccccc45 Tox21_111981_1 -NCGC00256739-01 196719193 tox21-ror-cho-viability-p1 set2 -2.2 53.9290828027 -67.2518412849 -2.673020125 -69.9248614099 2.2526478767 0.9480344446 0.0000103822 0.04171891 -0.782936 -0.20413463 1.862882 -7.89425332 -8.25924578 -0.36356183 -4.87470744 -0.92545412 0.89543268 -5.72244987 -8.04040427 -9.17366237 -24.7651782 -54.86731925 1.1699999999E-9 2.617E-9 5.852E-9 1.3079999999E-8 2.926E-8 6.542E-8 1.463E-7 3.271E-7 7.314E-7 0.0000016359999999 0.000003657 0.000008178 0.00001829 0.000040889999999 0.00009143 125225-28-7 86211 144212814 A A Ipconazole Clc1ccc(cc1)CC3CCC(C(C)C)C3(O)Cn2cncn2 Tox21_302497 -NCGC00090721-03 196718781 tox21-ror-cho-viability-p1 set2 4 1.59231527 1.23162753 4.27757808 -0.22588779 -16.72983648 -4.29983067 -4.35358307 -0.32751096 -15.56358169 -5.80714878 -2.28939826 -3.06136836 0.7100169 -1.98358589 3.35776558 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.0000016459999999 0.00000368 0.000008228 0.000018399999999 0.000041139999999 0.000091989999999 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00256970-01 196718785 tox21-ror-cho-viability-p1 set2 4 34.3412869306 -19.853394 -2.5 -22.353394 1.8616924601 0.5858917828 0.1073134482 0.10855789 -3.80846145 -2.03874314 -13.11125119 1.88414379 -7.39110778 -3.20536601 -3.62893814 6.93255217 -0.59787696 -1.46076245 -3.1126456 -8.39783375 -12.61891952 -20.294495 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.000001648 0.000003684 0.000008238 0.00001842 0.00004119 0.000092099999999 1077-28-7 864 144213409 A A alpha-Lipoic acid O=C(O)CCCCC1CCSS1 Tox21_303092 -NCGC00257727-01 196702798 tox21-ror-cho-viability-p1 set1 4 1.3796843206 -3.848400316 3 -0.848400316 3.1319983358 0.3221940598 0.3499110624 -1.04230597 -2.37366693 2.14696909 2.96451116 2.60345926 4.47883523 8.21472457 6.37592314 4.03989049 -0.71072911 0.41784614 -1.69976561 -1.55025968 1.03614411 -1.19421696 1.188E-9 2.6549999999E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 7493-72-3 61410 144207371 A Ac Allyl nonanoate O=C(CCCCCCCC)OCC=C Tox21_200173 -NCGC00258668-01 196702378 tox21-ror-cho-viability-p1 set1 -2.1 48.854168593 -81.5028747283 2.1537675 -79.3491072283 3.1319983358 0.9931056519 1E-10 3.08800245 -1.72804939 1.23487336 2.25290908 3.05665205 0.16478085 3.45852022 1.0703723 3.50088013 3.15164446 1.58636536 0.98178985 1.22619593 -27.51153524 -69.96144487 1.1859999999E-9 2.6519999999E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001853 0.000041439999999 0.000092669999999 458-37-7 969516 144208314 A A Curcumin Oc1ccc(cc1OC)/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2 Tox21_201116 -NCGC00257577-01 196702379 tox21-ror-cho-viability-p1 set1 4 3.59204438 -0.97146359 0.1882259 0.07139576 4.71061046 -1.89571639 -0.32771404 3.60013193 -3.67320913 2.18751798 -3.82633774 0.04984688 0.03048804 -0.02052375 -4.35123005 1.144E-9 2.5579999999E-9 5.719E-9 1.2789999999E-8 2.8599999999E-8 6.3939999999E-8 1.4299999999E-7 3.197E-7 7.1489999999E-7 0.0000015989999999 0.0000035739999999 0.000007993 0.00001787 0.00003996 0.00008936 626-43-7 12281 144207221 A A 3,5-Dichloroaniline Nc1cc(Cl)cc(Cl)c1 Tox21_200023 -NCGC00258573-01 196702779 tox21-ror-cho-viability-p1 set1 4 0.28853974 1.76144138 -4.23576723 0.04199073 -9.90045071 -3.81335611 -10.18431242 0.02807066 0.56626866 -3.29551935 0.49779736 -11.40603071 0.95700564 1.9858213 -2.422856 1.173E-9 2.6229999999E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.557E-8 1.466E-7 3.2779999999E-7 7.3309999999E-7 0.0000016389999999 0.000003665 0.0000081959999999 0.00001833 0.00004098 0.000091629999999 552-16-9 11087 144208218 A A 2-Nitrobenzoic acid O=[N+]([O-])c1ccccc1C(=O)O Tox21_201020 -NCGC00357120-01 196703196 tox21-ror-cho-viability-p1 set1 4 2.09505577 0.65268969 -5.82862593 -1.58187012 -3.95128811 -0.11630114 -1.92821549 -4.2012155 -0.67533417 -4.23025109 -3.47932444 1.79157074 0.00684076 -1.59470138 -2.11637037 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-75-8 8074 251919851 2-Chloroethyl vinyl ether C=COCCCl Tox21_303853 -NCGC00260385-01 196703201 tox21-ror-cho-viability-p1 set1 4 -2.06589722 -11.85814243 0.53325165 -0.39466852 -7.09252589 2.43804787 -6.24271917 -9.70844769 0.04272325 -2.34220471 0.95867822 -0.32816383 -0.89016973 -0.81295098 1.83463376 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.000041259999999 0.000092249999999 51-42-3 5815 144210037 F A Epinephrine bitartrate Oc1ccc(cc1O)[C@@H](O)CNC.O=C(O)[C@H](O)[C@@H](O)C(=O)O Tox21_202839 -NCGC00357197-01 196703207 tox21-ror-cho-viability-p1 set1 4 3.39641136 -0.56759871 3.60193989 1.1046209 0.03946581 0.476188 2.31031849 3.41769519 1.0026368 5.94915574 0.68017424 -7.33377654 4.22797119 0.56600634 2.41227864 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-69-1 5311110 251919779 F D-Ribose O[C@@H](C=O)[C@H](O)[C@H](O)CO Tox21_303971 -NCGC00260374-01 196703210 tox21-ror-cho-viability-p1 set1 4 0.0201993643 -4.9458381839 0.5 -4.4458381839 4.9549173134 0.310975039 0.3590443325 -3.0824915 2.42534245 1.23629742 0.55216255 -4.59755969 -2.91330561 -10.37153182 -4.1745945 1.55522542 -5.94291904 -7.98354041 1.07938361 -7.92921751 -3.8185661 -4.6040005 1.224E-9 2.7369999999E-9 6.1199999999E-9 1.3679999999E-8 3.0599999999E-8 6.8419999999E-8 1.5299999999E-7 3.421E-7 7.649E-7 0.00000171 0.000003825 0.0000085519999999 0.00001912 0.00004276 0.00009562 371-40-4 9731 144210026 A F 4-Fluoroaniline Fc1ccc(N)cc1 Tox21_202828 -NCGC00258677-01 196701991 tox21-ror-cho-viability-p1 set1 4 1.13013085 2.21724077 1.01356581 9.45671248 -3.54076124 7.19490605 4.04633148 -1.0993182 4.42945717 0.79982978 1.87240651 2.60102846 0.4995952 4.37187771 5.08878372 1.193E-9 2.6679999999E-9 5.9659999999E-9 1.3339999999E-8 2.9829999999E-8 6.671E-8 1.4919999999E-7 3.335E-7 7.458E-7 0.000001668 0.0000037289999999 0.0000083379999999 0.00001865 0.000041689999999 0.00009323 77-85-0 6502 144208323 A A 2-(Hydroxymethyl)-2-methyl-1,3-propanediol CC(CO)(CO)CO Tox21_201125 -NCGC00257994-01 196701985 tox21-ror-cho-viability-p1 set1 4 -2.60180751 0.49764158 -0.05234127 -0.97875118 1.29365635 -2.56928745 -0.4454218 -3.20109107 0.40060107 -4.02181327 0.18043596 3.67882968 -4.80633105 0.81313642 1.16426912 1.21E-9 2.7049999999E-9 6.048E-9 1.352E-8 3.024E-8 6.7619999999E-8 1.512E-7 3.381E-7 7.561E-7 0.000001691 0.00000378 0.0000084529999999 0.0000189 0.00004226 0.00009451 121-45-9 8472 144207638 FNS Trimethyl phosphite COP(OC)OC Tox21_200440 -NCGC00257785-01 196701988 tox21-ror-cho-viability-p1 set1 4 0.86511926 1.78399524 1.01911988 5.86773149 1.04934226 1.8283936 3.55496159 0.9744141 3.38724152 1.67791338 3.5589214 1.48919636 8.0853736 0.5400194 8.00720652 1.164E-9 2.602E-9 5.818E-9 1.301E-8 2.909E-8 6.5049999999E-8 1.4549999999E-7 3.252E-7 7.2729999999E-7 0.0000016259999999 0.000003636 0.000008131 0.00001818 0.000040659999999 0.00009091 127-48-0 5576 144207429 A A Trimethadione CN1C(=O)OC(C)(C)C1=O Tox21_200231 -NCGC00258138-01 196701990 tox21-ror-cho-viability-p1 set1 4 -0.9776009 0.72523981 2.14929217 3.40290404 3.66132531 3.53613364 3.83348169 0.96206988 1.33528612 2.41585997 6.17330351 -1.17500315 0.0277122 -0.37366786 1.99426978 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003673 0.0000082119999999 0.000018359999999 0.00004106 0.000091819999999 227617-70-1 11243457 144207782 A A 1-Butyl-2,3-dimethylimidazolium hexafluorophosphate CCCCn1cc[n+](C)c1C.F[P-](F)(F)(F)(F)F Tox21_200584 -NCGC00258605-01 196701996 tox21-ror-cho-viability-p1 set1 4 0.174342 1.40278599 1.14555034 0.13045438 0.28213067 -1.72992361 4.07724022 1.42583199 -2.69248411 -0.55473185 -3.08163954 4.15319612 -1.82151752 -0.26275222 0.32831058 1.213E-9 2.7119999999E-9 6.064E-9 1.3559999999E-8 3.0319999999E-8 6.78E-8 1.516E-7 3.39E-7 7.58E-7 0.000001695 0.0000037899999999 0.000008474 0.00001895 0.000042369999999 0.00009475 123-86-4 31272 144208250 FNS Butyl acetate CC(=O)OCCCC Tox21_201052 -NCGC00258500-01 196715498 tox21-ror-cho-viability-p1 set2 4 2.20746474 -0.58113561 -1.48528141 0.93191235 4.18932381 -6.84124743 -3.20915012 1.20016895 -1.16319101 -1.8449736 -7.31325522 1.56152843 1.61466263 -6.35558294 -5.60765413 1.1469999999E-9 2.5649999999E-9 5.735E-9 1.282E-8 2.868E-8 6.412E-8 1.434E-7 3.206E-7 7.169E-7 0.000001603 0.000003585 0.000008015 0.00001792 0.000040079999999 0.000089609999999 104-85-8 7724 144208145 A A 4-Methylbenzonitrile N#Cc1ccc(C)cc1 Tox21_200947 -NCGC00254584-01 196715087 tox21-ror-cho-viability-p1 set2 4 0.0243365162 -7.2527324359 -1 -8.2527324359 2.7202212143 0.5543296624 0.1485640166 -1.97563588 0.45114426 -2.69278782 -1.57792387 -5.87749228 -7.41952871 -14.37727703 -8.14511423 -4.35773188 -8.24448275 -13.73678865 -6.37099503 -7.5130946 -4.77093955 -2.6004048 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-10-0 7542 144210993 Ac Fc Cloprop Clc1cc(OC(C)C(=O)O)ccc1 Tox21_300676 -NCGC00254712-01 196715091 tox21-ror-cho-viability-p1 set2 4 2.79878492 0.35464111 -0.39119438 0.84061249 0.77064165 1.12849973 1.43460045 -1.05965285 1.65700974 3.45158755 2.81473232 3.63257332 7.47149588 3.04960206 1.631616 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 53112-28-0 91650 144211125 A A Pyrimethanil Cc2cc(C)nc(Nc1ccccc1)n2 Tox21_300808 -NCGC00254487-01 196715094 tox21-ror-cho-viability-p1 set2 4 -4.13526768 -0.9164124 -0.58827535 1.25384155 -0.09512921 0.54929783 2.31327261 -0.08889274 1.06829021 -0.0824598 -0.42051463 -3.79321036 -2.8701909 -1.87341493 0.99958665 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84-69-5 6782 144210929 A A Diisobutyl phthalate CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C Tox21_300612 -NCGC00258747-01 196715502 tox21-ror-cho-viability-p1 set2 4 0.15364642 0.1518552 2.14843991 -0.37396271 0.15707478 -2.0748699 0.52687551 -0.28955945 0.2662551 -0.40469841 0.37902168 0.52625437 0.5164494 0.31873481 -0.97487824 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.551E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.000003662 0.0000081889999999 0.00001831 0.00004095 0.00009156 83-66-9 6753 144208393 A Ac Musk ambrette COc1c(cc(c(C)c1[N+]([O-])=O)[N+]([O-])=O)C(C)(C)C Tox21_201195 -NCGC00257739-01 196715909 tox21-ror-cho-viability-p1 set2 4 -0.44357138 -0.61539041 2.03214444 0.14717658 -0.26737524 0.15091972 -2.16487587 -1.59184435 -0.59327796 -0.51109913 -0.53754645 -0.52253957 3.16446568 -0.03040842 -0.22158983 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.875E-8 6.429E-8 1.438E-7 3.215E-7 7.188E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.00004018 0.000089849999999 13284-42-9 25833 144207383 FNS 2-Pentenenitrile CCC=CC#N Tox21_200185 -NCGC00257856-01 196715915 tox21-ror-cho-viability-p1 set2 4 -1.12965671 -0.35607554 -1.95506204 -1.3893361 -1.51275417 -1.23948167 -0.02267617 -1.6887405 -0.29195794 5.18342722 -0.00881982 0.2067775 0.7749987 0.88199735 5.80801023 1.1759999999E-9 2.63E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.576E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.00000822 0.000018379999999 0.0000411 0.0000919 2008-39-1 16180 144207500 A A 2,4-D, Dimethylamine salt Clc1cc(Cl)ccc1OCC(=O)O.CNC Tox21_200302 -NCGC00253747-01 196717200 tox21-ror-cho-viability-p1 set2 4 0.26603212 7.445812944 -3.945812944 3.5 4.9549173134 0.639550435 0.0708829578 0.33713267 -3.16911556 -8.13969766 -0.09623988 -1.31941008 -6.66562924 -3.55781262 -8.70484412 4.14055633 1.59041601 4.7340861 3.70335117 2.02277188 3.07459595 4.24062183 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10389-73-8 25223 170466437 A A Clortermine Clc1ccccc1CC(C)(C)N Tox21_113863 -NCGC00021679-07 196717189 tox21-ror-cho-viability-p1 set2 4 1.15485039 6.22882821 1.24053659 -0.63520103 1.11285098 0.0105932 1.67118873 2.03257332 -1.78302383 1.13752078 -1.32206931 1.06791449 -1.31049809 -0.43066892 6.38844966 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1538-09-6 15232 170465096 B Benzathine penicillin G OC(=O)[C@@H]2N3C(=O)[C@@H](NC(=O)Cc1ccccc1)[C@H]3SC2(C)C.O=C(O)[C@@H]2N3C(=O)[C@@H](NC(=O)Cc1ccccc1)[C@H]3SC2(C)C.c1ccccc1CNCCNCc2ccccc2 Tox21_111587_1 -NCGC00163735-04 196717192 tox21-ror-cho-viability-p1 set2 4 3.1004085 3.23898129 0.090301 3.16724927 3.82786579 3.61625396 1.147465 4.03787378 3.13112627 -0.33772144 2.77560174 3.36957539 2.587319 0.24469297 -0.66456553 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00159396-04 196717195 tox21-ror-cho-viability-p1 set2 4 -6.67121165 -2.21478035 0.80069313 -2.57587848 1.62236156 -0.38188224 -3.3247823 -4.14162919 -1.57020433 -4.28552934 0.62113757 -0.78031665 -3.3486713 0.24815717 -3.39357659 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 635-41-6 12478 170466257 A Trimetozine O=C(c1cc(OC)c(OC)c(OC)c1)N2CCOCC2 Tox21_111634_1 -NCGC00183860-01 196717202 tox21-ror-cho-viability-p1 set2 4 1.6437075 -2.85661984 -1.81324485 -1.35056791 -0.80978761 0.58009807 -1.36745132 3.04190708 3.81191546 3.27331311 -1.0614596 -0.86887619 3.9121441 2.65612929 3.15507038 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7195-27-9 4047 144206878 A A Mefruside CC2(CN(C)S(=O)(=O)c1ccc(Cl)c(c1)S(N)(=O)=O)CCCO2 Tox21_113327 -NCGC00181010-02 196717205 tox21-ror-cho-viability-p1 set2 4 0.77524489 -1.06712006 1.77359312 2.57958302 -1.78874832 3.02829514 3.91509831 -2.51228648 2.45370915 -0.49816932 2.82600172 -0.34433233 3.24561326 2.31827218 -0.35942936 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54240-36-7 6917754 170465921 A Mabuterol hydrochloride Cl.Nc1c(cc(cc1Cl)C(O)CNC(C)(C)C)C(F)(F)F Tox21_112660_1 -NCGC00024622-05 196697611 tox21-ror-cho-viability-p1 set1 4 1.43304874 3.3902511 0.52730918 1.27273668 3.69924763 0.7097234 -0.3260774 -0.75843259 -0.43820347 1.2833248 1.5275602 0.03327986 0.03452493 1.49003163 0.34368009 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14663-23-1 32731 170464793 A Dantrolene sodium [Na+].[O-][N+](=O)c1ccc(cc1)c3ccc(/C=N/N2CC(=O)[N-]C2=O)o3 Tox21_112013_1 -NCGC00253602-01 196697614 tox21-ror-cho-viability-p1 set1 4 2.24575509 1.79754333 4.15720958 -0.95689334 2.09768234 4.62910627 7.27942465 4.03559801 -14.55323186 0.89272139 2.0648603 3.22850582 -0.74562023 5.12348285 1.71517442 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 91-79-2 7066 170465520 A A Thenyldiamine CN(C)CCN(Cc1ccsc1)c2ccccn2 Tox21_113737 -NCGC00271513-02 196697253 tox21-ror-cho-viability-p1 set1 4 -2.26704309 -1.16071177 -1.78041418 -1.03736429 -0.71515475 0.94654017 -1.47715838 -0.34212134 -4.01811334 0.7567624 -0.39157338 -3.14689858 -1.46216405 -3.2220063 -1.54481459 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 31036-80-3 30668 170466275 A A Lofexidine Clc2cccc(Cl)c2OC(C)C1=NCCN1 Tox21_113963 -NCGC00253867-02 196697262 tox21-ror-cho-viability-p1 set1 4 0.3140936 -0.23480947 -3.60494805 -1.46335782 -2.363946 -0.56889892 -1.67121635 -2.52527866 -1.6976704 0.15114536 -1.56081424 -1.69258429 -0.23952681 -0.59463117 -2.37876516 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 179474-81-8 3052762 170466188 A A Prucalopride COCCCN1CCC(CC1)NC(=O)c2cc(Cl)c(N)c3CCOc23 Tox21_113885 -NCGC00253721-01 196697266 tox21-ror-cho-viability-p1 set1 4 -1.6150591 -1.5135754 -2.79613115 3.17399122 2.51914614 -3.13001638 -2.82402148 1.27099591 -0.05263417 -1.00637495 -1.42719356 -1.89481263 0.89500386 0.06004407 1.28364634 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 620-20-2 12103 170466770 F C 1-Chloro-3-(chloromethyl)-benzene ClCc1cc(Cl)ccc1 Tox21_113840 -NCGC00182707-03 196697272 tox21-ror-cho-viability-p1 set1 4 7.4978038628 5.1556006759 -1.1556006759 4 4.9549173134 0.4562760661 0.2214216651 -0.72317751 -6.37966723 0.67526134 -3.32820498 -2.33815465 0.03428727 0.55378196 0.72355958 -1.3994215 -2.98253633 2.30572232 -4.04218787 3.83513743 2.79311157 4.66796137 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104054-27-5 71310 170466187 A Atipamezole CCC1(Cc2ccccc2C1)c3cncn3 Tox21_113005_1 -NCGC00253572-01 196697287 tox21-ror-cho-viability-p1 set1 4 1.50946899 4.97706481 2.81985825 -0.58224358 3.19278736 3.2127726 -1.57541296 -0.01366683 -1.33328877 1.29132353 -1.61210503 2.89639233 2.30484912 -0.70666501 0.43993042 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15687-14-6 27453 170465662 A A Embutramide COc1cc(ccc1)C(CC)(CC)CNC(=O)CCCO Tox21_113716 -NCGC00181016-04 196697273 tox21-ror-cho-viability-p1 set1 -3 29.8492948118 -61.5951740619 2.464286606 -59.1308874559 4.9549173134 0.9783964352 7.42E-8 1.46817865 8.105195 -0.54867201 0.84062431 3.85547862 2.87166593 1.09147731 5.04233462 0.91843978 1.83311378 2.08291471 0.50120278 2.5882331 -5.51795429 -52.60907288 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 153559-49-0 82146 170465308 A Bexarotene O=C(O)c1ccc(cc1)C(=C)c2cc3c(cc2C)C(C)(C)CCC3(C)C Tox21_112666_1 -NCGC00090942-03 196697285 tox21-ror-cho-viability-p1 set1 -2.1 61.130564862 -97.4369178777 -1.821056295 -99.2579741727 3.5722481694 0.9859330068 6.1E-9 -2.38268822 -1.0131383 -3.93306911 1.95452191 -1.15410479 -1.6691795 -3.7787306 -3.75002273 -4.6508156 0.71946611 1.48443475 -0.10173396 -8.4141415 -19.90606866 -81.25604104 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00072886-03 196697286 tox21-ror-cho-viability-p1 set1 4 -0.12038714 3.28175763 0.98158547 0.20626711 -2.69021771 0.75976198 3.06437431 -0.99146877 -1.81868767 -2.37587374 2.62978602 -3.96376627 1.37628776 0.12816507 5.46694317 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54188-38-4 68713 170466367 Ac Metralindole COc1cc4c(cc1)n3CCN(C)C2=NCCc4c23 Tox21_110986_1 -NCGC00186464-03 196697295 tox21-ror-cho-viability-p1 set1 4 21.1316824289 7.9529649879 -3.4529649879 4.5 4.9549173134 0.4280534857 0.2475385524 -1.88018888 -0.18824247 -6.52733074 -2.87250978 -5.26922438 -0.1689379 -6.46750943 -5.06839287 -2.73835871 -2.35845113 -4.40259903 0.65033167 -8.29413749 0.19993953 4.58012124 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 173399-03-6 23625795 170465199 A Aliskiren hemifumarate Cl.NC(=O)C(C)(C)CNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc1cc(OCCCOC)c(cc1)OC)C(C)C)C(C)C Tox21_113592_1 -NCGC00016268-08 196697298 tox21-ror-cho-viability-p1 set1 4 0.43728963 0.27289233 -1.17494094 1.60577923 -3.61751753 -2.28737845 1.00096218 -1.83340335 -3.27230868 1.01271289 -1.2078359 -2.74350071 -3.4082367 -0.87559466 -3.51722341 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-67-6 938 170465044 Z Niacin O=C(O)c1cccnc1 Tox21_110337_1 -NCGC00179449-03 196697303 tox21-ror-cho-viability-p1 set1 4 0.41383578 3.04269735 1.09089283 0.6473198 0.76416502 0.06012216 2.09771473 -0.27811469 0.87147957 -0.4224735 0.94723917 4.23681462 0.63470027 2.07417154 0.87119799 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1949-20-8 264891 170466464 A Oxalamine citrate O=C(O)C(O)(CC(=O)O)CC(=O)O.CCN(CC)CCc1nc(no1)c2ccccc2 Tox21_110749_1 -NCGC00095158-04 196697304 tox21-ror-cho-viability-p1 set1 4 -1.26016199 -4.50031269 -2.7624955 -1.85555818 -3.18927419 -1.44651114 -3.2341955 -0.0181045 -4.37452923 -3.83191175 -2.46186209 -0.71455702 -1.87703303 -2.7179046 0.11661619 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3366-95-8 71815 170466630 A Secnidazole Cc1ncc([N+]([O-])=O)n1CC(O)C Tox21_111457_1 -NCGC00254818-01 196720887 tox21-ror-cho-viability-p1 set3 4 2.92497715 3.78526791 3.21863799 3.59379212 11.99313091 2.88664953 12.02202126 5.25790571 11.37217023 19.68502108 3.74488545 -1.99934175 7.5333831 5.8912065 2.96510966 1.2559999999E-9 2.808E-9 6.2789999999E-9 1.404E-8 3.1399999999E-8 7.0199999999E-8 1.57E-7 3.5099999999E-7 7.849E-7 0.0000017549999999 0.000003924 0.000008775 0.00001962 0.00004388 0.00009811 88-82-4 6948 144211231 A A 2,3,5-Triiodobenzoic acid Ic1c(cc(I)cc1I)C(=O)O Tox21_300914 -NCGC00260145-01 196724125 tox21-ror-cho-viability-p1 set3 -3 34.1397303381 -30.731322684 -4 -34.731322684 4.9549173134 0.7011360901 0.0375913368 -8.75385251 -8.13319071 -3.01374183 -4.02056817 -5.96292854 -9.74356501 -3.92933267 -8.45522317 -3.6167591 -8.24513292 1.11312748 0.56786771 1.85198787 1.46548623 -30.60943557 5.994E-10 1.34E-9 2.997E-9 6.701E-9 1.498E-8 3.3509999999E-8 7.492E-8 1.675E-7 3.746E-7 8.3759999999E-7 0.000001873 0.0000041879999999 0.000009365 0.00002094 0.000046819999999 7446-08-4 24007 144209795 Selenium dioxide O=[SeH2]=O Tox21_202597 -NCGC00260226-01 196724131 tox21-ror-cho-viability-p1 set3 4 -0.76660897 -0.44926382 6.81203125 3.45281295 3.20732884 5.5642389 -1.44512857 -0.85663106 1.2059901 2.36915331 3.74690785 2.85975126 -0.31507326 1.2527869 3.04974154 1.193E-9 2.6689999999E-9 5.967E-9 1.3339999999E-8 2.9839999999E-8 6.672E-8 1.4919999999E-7 3.3359999999E-7 7.4589999999E-7 0.000001668 0.00000373 0.00000834 0.00001865 0.0000417 0.00009324 NOCAS_49389 60196391 144209876 A A 1-Butyl-2-methylpyridinium hexafluorophosphate Cc1cccc[n+]1CCCC.F[P-](F)(F)(F)(F)F Tox21_202678 -NCGC00260626-01 196724139 tox21-ror-cho-viability-p1 set3 4 -16.58655344 -4.71700578 3.36897639 -1.48964962 -3.59685206 -10.35467227 -2.19595654 -12.09259623 -4.05909272 -2.35030051 0.85777873 0.25795008 0.94993275 -0.32757532 -5.88548775 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49522 144210279 M M NTP Mix102 ER1 10-EQC Tox21_203081 -NCGC00254326-01 196720460 tox21-ror-cho-viability-p1 set3 4 24.3365162115 10.5142185119 -2.0142185119 8.5 4.9549173134 0.5775604957 0.1142436786 -4.10704779 -11.26184876 -2.26398296 -0.87334504 -1.83306282 -1.75322936 1.1890065 1.18671341 0.93228986 -0.9677936 -2.05000456 -1.20376918 -0.27597604 7.76519909 8.12193907 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25498-49-1 25054 144210688 A A Tripropylene glycol monomethyl ether COC(C)COC(C)COC(C)CO Tox21_300370 -NCGC00253967-01 196720466 tox21-ror-cho-viability-p1 set3 -2.2 34.3762428541 -41.819602978 -3.555202541 -45.374805519 2.0478617061 0.9289592486 0.0000555886 -7.24356176 -9.18363226 -1.16613532 0.39166866 -1.24810041 -2.71697957 -5.29082063 -6.09677304 1.06692196 -2.83746375 -1.63983017 -5.98725334 -15.33769768 -24.97181282 -44.48510345 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65277-42-1 456201 144210587 A A Ketoconazole CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]4CO[C@@](Cn3cncc3)(O4)c5ccc(Cl)cc5Cl Tox21_300267 -NCGC00091663-03 196720885 tox21-ror-cho-viability-p1 set3 4 11.79240968 -1.00745404 -1.65633217 2.84727551 4.68853957 -2.8081946 11.69656703 0.34702186 4.24993226 3.24895556 4.034432 9.95607498 15.08070554 10.64325245 7.22814269 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00254333-01 196720891 tox21-ror-cho-viability-p1 set3 2.4 1.7228934059 29.288236892 -17.288236892 12 0.2 0.761252238 0.01638662 -15.24019741 -11.90771851 -6.74324866 -5.36910459 -11.0124051 -4.81018203 -4.56124785 -3.98595221 -5.13015803 -5.54735511 -3.76388544 -2.48815491 0.26208405 0.63544157 7.6944537 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24602-86-6 32518 144210908 F Tridemorph CC1CN(CCCCCCCCCCCCC)CC(C)O1 Tox21_300591 -NCGC00254225-01 196720892 tox21-ror-cho-viability-p1 set3 1.4 0.0968854161 18.4250938801 0.0749061199 18.5 1.34431 0.7468617822 0.0204167108 6.65117829 -5.3542449 1.0820626 -4.8921762 9.08387307 6.36405568 8.63678772 16.74048641 19.66291406 12.93481717 23.29881089 23.72859639 13.55276586 22.16808877 12.98251639 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 151-21-3 3423265 144210469 A Sodium dodecyl sulfate [Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC Tox21_300149 -NCGC00259988-01 196721279 tox21-ror-cho-viability-p1 set3 4 -7.16394346 -7.49713934 -2.6781409 1.56097913 0.47041828 -1.27540252 -2.12785613 -2.00783175 -2.24446357 -1.82127396 -8.18004445 -3.91522148 -6.22420104 6.37465031 1.92834824 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.96E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 94-59-7 5144 144209637 A A Safrole C=CCc1ccc2OCOc2c1 Tox21_202439 -NCGC00259218-01 196721296 tox21-ror-cho-viability-p1 set3 4 23.6451990857 11.247886992 -4.247886992 7 0.831 0.4653353005 0.2113469543 -4.07607378 -0.57363495 -1.32766011 -13.12323916 -3.45011526 -3.52156758 -3.86650547 -3.12773864 -4.31672455 0.44005339 -3.20158784 -1.15692622 -1.43425953 4.35699712 4.30236749 1.152E-9 2.575E-9 5.759E-9 1.288E-8 2.879E-8 6.439E-8 1.44E-7 3.219E-7 7.199E-7 0.00000161 0.000003599 0.000008048 0.000018 0.00004024 0.00008998 100-54-9 79 144208867 A F 3-Pyridinecarbonitrile N#Cc1cccnc1 Tox21_201669 -NCGC00259091-01 196721681 tox21-ror-cho-viability-p1 set3 4 -16.94513216 -5.46044676 -10.85542972 -5.37262675 -16.18481884 -10.69943765 -11.34427602 -7.28215294 -6.80452017 -5.06078021 -8.92434947 -5.67795373 -8.14879619 -8.13581734 -11.4784036 1.1919999999E-9 2.6659999999E-9 5.9609999999E-9 1.333E-8 2.981E-8 6.6649999999E-8 1.49E-7 3.332E-7 7.451E-7 0.0000016659999999 0.000003726 0.0000083309999999 0.00001863 0.000041649999999 0.000093139999999 7659-86-1 24309 144208739 A Ac 2-Ethylhexyl sulfanylacetate CCC(CCCC)COC(=O)CS Tox21_201541 -NCGC00260316-01 196703657 tox21-ror-cho-viability-p1 set1 4 0.5586564018 -5.38039478 1 -4.38039478 4.4494702849 0.553976296 0.1500046409 -0.29910971 -0.55553432 -0.18067715 1.12788873 0.19000662 1.0748795 1.53610394 2.92823537 0.20257488 1.33040631 -9.06699565 -3.89299434 -5.78945459 0.08570313 -0.58319996 3.145E-10 7.031E-10 1.572E-9 3.516E-9 7.861E-9 1.758E-8 3.9309999999E-8 8.7889999999E-8 1.965E-7 4.395E-7 9.827E-7 0.000002197 0.000004913 0.00001099 0.00002457 840-65-3 61225 144209967 A A Dimethyl 2,6-naphthalenedicarboxylate O=C(OC)c1ccc2cc(ccc2c1)C(=O)OC Tox21_202769 -NCGC00016564-06 196704454 tox21-ror-cho-viability-p1 set1 4 0.0375780358 4.782186504 -4.782186504 0 4.9549173134 0.3506158494 0.320831226 0.31430678 -11.48515542 -1.79140664 -0.97389131 -10.99936234 -2.84540989 1.20061456 -1.07390859 -1.98582515 1.41099354 1.54788664 2.42423555 1.29303652 -1.66121616 -1.80362962 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1115-70-4 14219 170464804 Z Metformin Cl.N=C(N)NC(=N)N(C)C Tox21_110498_1 -NCGC00092300-02 196704458 tox21-ror-cho-viability-p1 set1 4 -0.59372438 -5.23088551 -5.90608242 -1.16546061 -4.46430872 1.91836855 1.04721981 -0.12176626 0.51007315 2.24872984 -0.22610217 1.47585337 0.62678395 0.36571295 0.43859307 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 128312-51-6 6436135 170466361 A Cinalukast O=C(O)C(CC)(CC)CC(=O)Nc3cc(/C=C/c1nc(cs1)C2CCC2)ccc3 Tox21_111191_1 -NCGC00263579-01 196704464 tox21-ror-cho-viability-p1 set1 -3 33.4914596268 -69.296505892 1.194070858 -68.102435034 4.9549173134 0.9705447424 4.376E-7 6.37960474 1.01399078 1.53032554 1.45645879 -0.35986968 0.9441276 0.1907221 2.29692154 0.16913781 2.21874755 0.40408554 3.02406659 -4.82571534 -0.17900794 -59.7389781 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 169293-50-9 11626384 170465208 C rac Nebivolol hydrochloride Cl.Fc1cc2CC[C@@H](Oc2cc1)[C@@H](O)CNC[C@H](O)[C@@H]3CCc4cc(F)ccc4O3 Tox21_113618_1 -NCGC00260418-01 196703225 tox21-ror-cho-viability-p1 set1 4 0.34260765 -0.64085657 -0.53620082 0.85931218 9.77895934 -2.25564199 -2.45729028 -0.41786297 10.73489824 1.10976379 7.90299707 10.42228704 -2.78265972 -2.30093269 -3.67013927 1.182E-9 2.6429999999E-9 5.91E-9 1.322E-8 2.955E-8 6.608E-8 1.4779999999E-7 3.304E-7 7.388E-7 0.0000016519999999 0.0000036939999999 0.0000082599999999 0.000018469999999 0.000041299999999 0.00009235 797-63-7 13109 144210070 A A Norgestrel O=C4CC[C@H]3C(CC[C@@H]2[C@@H]3CC[C@@]1(CC)[C@H]2CC[C@@]1(O)C#C)=C4 Tox21_202872 -NCGC00260267-01 196703241 tox21-ror-cho-viability-p1 set1 4 -2.26743907 -0.37175042 -5.21798814 0.20226306 -0.73343355 -8.43294358 -14.85244305 -0.85061382 -4.92192286 -7.15288699 -12.02730314 -7.75964087 -1.05526077 0.82050674 -6.98344264 1.3079999999E-9 2.925E-9 6.541E-9 1.463E-8 3.27E-8 7.313E-8 1.635E-7 3.6559999999E-7 8.1759999999E-7 0.000001828 0.000004088 0.000009141 0.00002044 0.0000457 0.0001022 111-25-1 8101 144209917 Fns 1-Bromohexane BrCCCCCC Tox21_202719 -NCGC00260623-01 196703638 tox21-ror-cho-viability-p1 set1 4 11.8832183006 -12.274386692 0 -12.274386692 3.9899729863 0.768567946 0.0195639463 -0.20796242 -0.14835033 0.34119738 0.63809113 -2.73159572 -0.29286361 4.10046177 -3.04340595 -0.50096521 0.50850565 -0.35221918 0.06134563 -3.28820883 -11.06198891 1.04950796 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49519 144210276 M M NTP Mix98 ER1 10-EQC Tox21_203078 -NCGC00260498-01 196703661 tox21-ror-cho-viability-p1 set1 4 38.1397123614 -23.85502972 4 -19.85502972 0.9999999999 0.6695411994 0.0531398708 5.81264421 2.30912172 4.47800647 3.11911029 1.5960842 1.8040044 6.6468752 3.83379326 3.58410646 8.14469673 1.3336377 -10.39546371 1.72170572 -5.66843067 -16.5458581 1.1689999999E-9 2.6129999999E-9 5.844E-9 1.3069999999E-8 2.922E-8 6.5339999999E-8 1.461E-7 3.267E-7 7.305E-7 0.0000016329999999 0.000003652 0.000008167 0.00001826 0.000040829999999 0.000091309999999 938-85-2 70315 144210150 F Fns 1-Methylguanine N=C2Nc1ncnc1C(=O)N2C Tox21_202952 -NCGC00163771-03 196704053 tox21-ror-cho-viability-p1 set1 4 2.27271188 1.04511526 2.44230804 3.57029798 -4.74397959 -6.90267958 6.41408673 -5.63636781 -5.09589188 -9.1215726 8.39788755 0.25002659 0.14545016 0.64533499 6.76417548 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00357000-01 196704066 tox21-ror-cho-viability-p1 set1 4 -1.65905654 1.70059108 8.06661452 -1.48300823 1.3756809 2.40614169 -0.09196244 3.26481591 4.0663771 3.47845487 3.52295216 0.948945 -0.40084697 -1.96730741 -0.7889235 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 35045-02-4 37028 251919983 A Metribuzin-DA CC(C)(C)C1=NN=C(SC)NC1=O Tox21_303904 -NCGC00260481-01 196704072 tox21-ror-cho-viability-p1 set1 4 0.0019370506 -10.637171404 10 -0.637171404 0.7999999999 0.4772190135 0.2023697057 6.85655842 2.95548217 3.25792745 -0.62476175 0.1179499 2.12535887 1.35431342 1.44266449 0.09597196 -0.93571393 -6.78097617 1.46741804 0.00761884 -0.85228131 0.17978086 1.182E-9 2.6429999999E-9 5.91E-9 1.322E-8 2.955E-8 6.608E-8 1.4779999999E-7 3.304E-7 7.388E-7 0.0000016519999999 0.0000036939999999 0.0000082599999999 0.000018469999999 0.000041299999999 0.00009235 59-49-4 6043 144210133 A A 2-Benzoxazolinone O=C1Nc2ccccc2O1 Tox21_202935 -NCGC00015713-13 196704474 tox21-ror-cho-viability-p1 set1 4 9.4391758155 -5.809744932 3 -2.809744932 4.9549173134 0.3351480738 0.3367448303 1.38307627 1.00635666 7.6052376 -1.17972365 1.74976283 -1.46764571 2.20971379 6.64278845 1.82429986 0.91826739 6.47141968 6.85335819 0.23286731 -2.0588761 -3.59145411 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 39562-70-4 4507 170465897 A Nitrendipine CC=1NC(C)=C(C(C=1C(=O)OCC)c2cccc(c2)[N+]([O-])=O)C(=O)OC Tox21_110201_1 -NCGC00091086-02 196704490 tox21-ror-cho-viability-p1 set1 4 -1.24307487 2.22155657 -3.92822963 1.97921967 2.96779114 1.45327615 1.44571343 2.86166269 1.95892763 -0.55046282 -0.46569004 2.01684958 0.16101658 -0.63921908 3.29157761 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00257388-01 196718828 tox21-ror-cho-viability-p1 set2 4 -1.83519285 -1.86958264 1.98786564 -2.50513482 5.84812808 3.55809905 5.82175947 2.8719057 4.14665286 -0.21930613 5.63567035 3.25510167 3.94852212 2.43141434 3.78852445 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1124-64-7 2734171 144213811 A N-Butylpyridinium chloride [Cl-].CCCC[n+]1ccccc1 Tox21_303503 -NCGC00091205-03 196718824 tox21-ror-cho-viability-p1 set2 4 0.18462542 0.01220271 3.15447906 -0.19999171 0.82255468 3.00267225 0.70501407 2.56501025 0.5177596 1.6385778 2.48312561 5.3849308 -0.12983356 0.4622255 3.70244043 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00256772-01 196718440 tox21-ror-cho-viability-p1 set2 4 2.35958242 0.28474268 -0.33620454 3.96844382 -7.54969715 -2.3884467 2.78298387 -1.67096272 0.74367108 -8.11631401 0.1531161 1.933632 -0.82688158 7.13996583 2.82178881 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 33693-84-4 134976 144213012 A A tert-Butyl hydrogen phthalate O=C(O)c1ccccc1C(=O)OC(C)(C)C Tox21_302695 -NCGC00249928-01 196718037 tox21-ror-cho-viability-p1 set2 4 -0.83747693 0.75808043 1.23511633 5.8229981 7.47355363 5.47141509 5.46198028 5.60789273 -0.60059209 4.3613944 5.84351942 4.17055971 4.89115554 0.86860196 3.84461824 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 73310-10-8 72187525 170466007 F Fns Eicosapentaenoic acid ethyl ester O=C(/C=C\C=C/C=C\C=C/C=C\CCCCCCCCC)OCC Tox21_113704 -NCGC00183833-01 196718038 tox21-ror-cho-viability-p1 set2 4 0.0026603212 4.8838394599 -3.8838394599 1 4.9549173134 0.427348663 0.2473143545 -0.36965346 -0.51047374 -5.67712877 -12.40319955 -5.38226274 -1.34560516 -0.48860265 -5.24484453 1.68447629 1.37452518 1.31570215 1.51405797 1.35104005 0.79218484 0.0967362 5.899E-12 1.319E-11 2.949E-11 6.595E-11 1.475E-10 3.2969999999E-10 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 187269-40-5 9811353 144206811 A A Bimosiamose O=C(O)Cc1cccc(c1)c3cc(ccc3O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)CCCCCCc5ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)c(c5)c6cccc(CC(=O)O)c6 Tox21_113260 -NCGC00256897-01 196718432 tox21-ror-cho-viability-p1 set2 4 -0.07261265 -0.52541856 -1.19203774 5.89900935 0.84122056 0.58698954 4.07815917 0.8401513 0.40547639 1.08052145 4.97486749 -2.82050908 0.55826734 -0.93215114 -0.32822021 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 83834-59-7 5355130 144212893 A A 2-Ethylhexyl trans-4-methoxycinnamate COc1ccc(/C=C/C(=O)OCC(CC)CCCC)cc1 Tox21_302576 -NCGC00066947-05 196718455 tox21-ror-cho-viability-p1 set2 4 -4.41557239 -4.92286817 1.67170094 0.52330318 -6.13535888 -2.16480719 -2.83852879 0.14483328 -2.39302501 1.11957828 -1.66500542 -0.2729657 1.56044846 -2.07694213 0.06417808 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00257001-01 196718851 tox21-ror-cho-viability-p1 set2 4 15.3553036427 -11.6830813239 -8.26464048 -19.9477218039 0.9999999999 0.6933591583 0.0416329504 -8.24480522 -7.82888591 -10.77571752 -8.59086664 -8.61461844 -8.47623378 -8.70912438 -5.6372004 -8.85459226 -12.06348092 -12.49742741 -7.25119679 -17.45696667 -18.28976817 -16.39355753 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 613-13-8 11937 144213616 B Fc 2-Aminoanthracene Nc1ccc2cc3ccccc3cc2c1 Tox21_303299 -NCGC00257035-01 196718855 tox21-ror-cho-viability-p1 set2 4 4.3277125691 7.4423677079 -4.4423677079 3 4.9549173134 0.5655455228 0.123722104 -9.95197309 -4.59897337 -0.16755944 -2.34566227 -6.36822595 -3.391641 -2.58320944 -0.39943278 -5.2163081 -7.70441886 -2.45037907 5.41149517 1.99661765 -0.65903695 5.57986381 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-60-7 8200 144213562 Cc Fns Tetraethylene glycol OCCOCCOCCOCCO Tox21_303245 -NCGC00256737-01 196718857 tox21-ror-cho-viability-p1 set2 4 0.79337893 0.41979884 0.0454807 3.88374382 -0.75291856 0.10914355 -5.88689555 -7.90591416 0.46455659 -0.46476486 -0.62424617 -1.04014793 0.27268078 -0.82307968 2.02208627 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26921-17-5 5281056 144212785 A A Timolol maleate salt O[C@H](COc1nsnc1N2CCOCC2)CNC(C)(C)C.O=C(O)/C=C\C(=O)O Tox21_302468 -NCGC00257164-01 196718861 tox21-ror-cho-viability-p1 set2 4 1.58369115 2.68242238 1.14727337 1.21562709 0.35709307 4.30284138 1.1044149 5.19156516 -0.0383413 3.37658478 4.73768623 1.59199788 2.61462244 2.30196424 1.38529161 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 77-86-1 6503 144213484 Z A Tromethamine OCC(N)(CO)CO Tox21_303167 -NCGC00257427-01 196718868 tox21-ror-cho-viability-p1 set2 -2.4 27.3060203028 -26.339079848 -0.5 -26.839079848 1.5385888099 0.9412439921 0.0000203063 -0.04245543 0.41266967 -2.17645429 -0.94383958 -0.15904876 0.06411066 -0.10951434 0.02327199 -3.29900612 0.45161848 -1.06090797 -1.63449044 -13.80125282 -14.89157739 -24.03256654 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 174185-16-1 10068207 144213666 A A FR167356 Clc1cccc(Cl)c1C(=O)Nc3cccc2c3oc(C)c2C(C)(C)O Tox21_303349 -NCGC00163774-04 196724598 tox21-ror-cho-viability-p1 set3 4 0.0564275941 -4.3263582039 1.5 -2.8263582039 4.9549173134 0.3967549398 0.2780047868 0.20553811 3.0755054 -1.26246278 1.46615682 3.91087504 -2.33040239 -0.56240081 -4.52136864 -0.70220258 -5.31397577 -1.89073783 -6.52196517 -0.16991282 1.28284089 -6.3067529 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00357155-01 196724605 tox21-ror-cho-viability-p1 set3 4 1.7228934059 -5.012151784 4 -1.012151784 2.3331733767 0.4548072341 0.2218839314 -3.34345982 5.27882318 6.75652802 1.87743022 4.95691114 6.46945881 5.00233287 7.1405891 2.76633587 1.40140006 -0.62548253 1.6516246 -0.85764972 -1.49910097 -2.80693927 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1470-94-6 15118 251919871 Indan-5-ol Oc1ccc2CCCc2c1 Tox21_303902 -NCGC00357061-01 196724593 tox21-ror-cho-viability-p1 set3 4 -5.13991317 3.35555511 -5.17655406 -3.60380219 2.7783424 -0.95166114 4.47908905 -8.26297829 1.80469151 4.68359902 -0.81643891 3.9675277 -7.32874591 -7.24178296 3.76398483 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 609-66-5 69111 251919915 A 2-Chlorobenzamide O=C(N)c1ccccc1Cl Tox21_303767 -NCGC00091253-05 196724594 tox21-ror-cho-viability-p1 set3 4 0.0014888036 14.408932044 -10.408932044 4 4.5044702849 0.4218095491 0.2521809265 -7.00744337 2.84095599 5.73021894 -4.87766079 4.07768568 2.99194745 6.96874262 6.46465388 0.99221713 1.1693475 5.81392875 4.52871838 3.35179633 4.06487966 9.90617436 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.000001608 0.000003595 0.000008038 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00183017-01 196725434 tox21-ror-cho-viability-p1 set3 4 0 0 2.33061221 6.16869091 -17.40765989 6.24161743 -18.03402694 -17.98237386 3.6091664 -19.63611086 8.18485668 8.35805747 7.47189318 -16.27633903 -17.84184513 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 546-71-4 66067 144206877 A A Ethyl 4-nitrophenyl ethylphosphonate [O-][N+](=O)c1ccc(OP(=O)(OCC)CC)cc1 Tox21_113326 -NCGC00166206-04 196725445 tox21-ror-cho-viability-p1 set3 4 0.12718287 -8.55985036 0.82947009 -1.08956424 -2.39754696 -0.82624848 -3.62013306 -1.27063161 -4.66290441 -5.52603288 -3.97034792 -3.37751087 0.13589476 -2.11552354 1.30237363 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 643-79-8 4807 170466016 F 1,2-Benzenedicarboxaldehyde O=Cc1ccccc1C=O Tox21_112347_1 -NCGC00179385-03 196725447 tox21-ror-cho-viability-p1 set3 4 0.0188336318 7.7737979439 -1.2737979439 6.5 4.9549173134 0.477136387 0.1995292862 -0.62271886 -4.39483162 -0.54239599 0.42626193 0.34972902 6.78354802 10.80073575 13.08610873 9.01337674 -0.84456663 -0.77846738 6.41052947 6.96533078 4.23530275 11.04316876 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 22881-35-2 3326 170466076 A Famprofazone CC(Cc1ccccc1)N(C)CC3=C(C(=O)N(c2ccccc2)N3C)C(C)C Tox21_110600_1 -NCGC00249915-01 196725861 tox21-ror-cho-viability-p1 set3 -2.4 6.6824247267 -24.12819374 1 -23.12819374 3.0654483358 0.8920595521 0.0004712896 4.92394654 0.91502955 -0.97972345 1.31284963 2.45830288 4.75256349 -2.31314492 -2.57945938 -4.68369692 4.74228166 2.79242158 -2.82037883 -17.99518197 -18.43509904 -25.94016145 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14556-46-8 2475 170465802 A A Bupranolol Clc1ccc(C)cc1OCC(O)CNC(C)(C)C Tox21_113691 -NCGC00160648-02 196726255 tox21-ror-cho-viability-p1 set3 4 4.90049895 4.71063994 1.99468061 9.11018576 4.31117433 -3.92187797 -0.88630611 -0.74148152 5.01175961 7.60505297 3.94287142 2.88991448 9.91021921 6.51497731 6.98376582 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 495-84-1 5371318 170466458 A Salinazid O=C(N/N=C/c1ccccc1O)c2ccncc2 Tox21_111955_1 -NCGC00344572-01 196726264 tox21-ror-cho-viability-p1 set3 4 3.00412583 1.33725848 4.65307701 5.70651684 4.6453133 5.48271595 -3.27458994 17.48727272 2.37502857 14.12214218 10.91967149 -3.02109327 15.27334873 6.2241129 7.86918757 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52508-35-7 23667639 170466133 Ac Dikegulac sodium [Na+].[O-]C(=O)[C@]23O[C@H]1COC(C)(C)O[C@H]1[C@@H]3OC(C)(C)O2 Tox21_112391_1 -NCGC00090905-12 196726275 tox21-ror-cho-viability-p1 set3 4 4.51734548 -1.62568316 0.96052783 -0.46705075 0.4609661 -0.69795039 -1.38816911 -0.90166984 -2.94248784 -0.57694595 -0.29733859 -1.22101002 -2.40222658 -0.73757438 -0.11119663 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55-98-1 2478 170465232 F Busulfan O=S(C)(=O)OCCCCOS(C)(=O)=O Tox21_111038_1 -NCGC00090987-03 196726679 tox21-ror-cho-viability-p1 set3 4 1.85817504 2.67527736 1.96355099 0.30013398 0.16481748 3.75539708 -1.06408261 -2.18690584 0.91073758 -2.02389327 -2.03141003 0.95647855 -2.0475154 1.75238124 1.81200149 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00258623-01 196715515 tox21-ror-cho-viability-p1 set2 4 4.4892958 2.00497288 2.17812208 5.41415179 3.88016338 2.9765599 0.22489842 -0.9050574 -1.83873867 3.20965477 1.4393892 0.15590225 2.60186959 1.04144605 2.75717918 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.397E-7 0.0000016539999999 0.0000036989999999 0.0000082699999999 0.000018489999999 0.00004135 0.00009247 76-02-8 6420 144208268 Trichloroacetyl chloride ClC(Cl)(Cl)C(Cl)=O Tox21_201070 -NCGC00015060-14 196722912 tox21-ror-cho-viability-p1 set3 2.2 54.1504058934 39.6555414332 3.243471404 42.8990128372 3.1319983358 0.7663588949 0.0149560707 -1.30071196 5.42938604 5.6171178 7.72951264 11.68976893 -3.96377383 10.12463396 10.32714465 1.22061974 -1.12136356 2.58210215 -0.53977535 0.89095117 14.62267458 36.66569886 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00095054-05 196722498 tox21-ror-cho-viability-p1 set3 4 0.2984929481 -7.508803168 3.5 -4.008803168 4.9549173134 0.515505512 0.1818333587 7.02643708 0.71016156 7.31209067 3.47180216 0.66478508 0.28824755 -2.06563923 10.59428274 -3.17628432 -6.67400264 -3.28086698 -1.56034092 -4.52803938 -2.49177012 14.64724153 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 102-29-4 5055 170465513 Fc Resorcinol monoacetate O=C(C)Oc1cccc(O)c1 Tox21_111406_1 -NCGC00017325-06 196722903 tox21-ror-cho-viability-p1 set3 4 -5.81550005 0.81244291 10.98759505 -2.7764861 13.24671857 -5.39038584 7.85747714 3.39239854 -0.17955723 2.33593493 0.86282116 -1.59037167 1.38124886 4.18786276 19.25393862 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 501-30-4 3840 170466814 F Kojic acid O=C1C=C(CO)OC=C1O Tox21_110814_1 -NCGC00161599-09 196722906 tox21-ror-cho-viability-p1 set3 4 4.37194157 1.17547316 1.63347478 2.0997506 -0.10538 4.66487728 2.51177801 8.55213615 -1.01922734 9.64212439 13.01113794 11.56648714 -2.46002921 8.77970924 13.3712461 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97322-87-7 5591 170465091 A Troglitazone Cc1c(O)c(C)c(C)c2OC(C)(CCc12)COc4ccc(CC3SC(=O)NC3=O)cc4 Tox21_112119_1 -NCGC00253629-01 196722917 tox21-ror-cho-viability-p1 set3 4 2.5157073 0.38006111 3.7757013 2.84339851 -0.86967494 -1.13010084 -1.74820453 -1.88289126 0.25048511 0.15075858 -0.44369358 12.23907422 -2.77535012 -0.75679379 -2.35249432 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 41340-36-7 198231 170466701 A A 7-Ethyltryptophol CCc2cccc1c2ncc1CCO Tox21_113757 -NCGC00160525-02 196722919 tox21-ror-cho-viability-p1 set3 4 33.4914596268 13.75847412 -2.75847412 11 4.9549173134 0.4003206539 0.2723034057 -3.74202322 3.08046309 -4.05375604 -4.34289026 -5.28452261 -6.3506504 -0.82280389 -3.37986437 4.77824147 0.20268357 0.84198265 -2.31035766 -10.2153951 -3.98484748 9.77909253 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 151319-34-5 5719 170465168 A Zaleplon CC(=O)N(CC)c1cccc(c1)c2ccnc3c(cnn23)C#N Tox21_111872_1 -NCGC00024574-03 196697340 tox21-ror-cho-viability-p1 set1 4 5.03395275 3.44997517 1.16332265 0.31191275 8.98867717 0.94870929 2.75565697 3.62172404 0.97592963 1.63704035 1.75584669 4.67338843 0.82580924 1.0510823 0.82760854 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 124756-23-6 71346 170466789 C Binospirone mesylate CS(=O)(=O)O.O=C4CC1(CCCC1)CC(=O)N4CCNCC2COc3ccccc3O2 Tox21_113054_1 -NCGC00257356-01 196718818 tox21-ror-cho-viability-p1 set2 4 1.6745695676 6.503215472 -1.503215472 5 4.9549173134 0.4976506532 0.1989035077 0.00966877 0.34782044 -2.43838898 3.20871924 -5.00267956 -4.98504674 -4.6032657 -0.39933763 2.13477994 -4.9513869 -0.44519027 6.52187892 4.12711257 3.70243869 0.92415015 4.011E-10 8.9689999999E-10 2.006E-9 4.485E-9 1.003E-8 2.2419999999E-8 5.014E-8 1.121E-7 2.507E-7 5.606E-7 0.000001253 0.0000028029999999 0.000006267 0.00001401 0.00003134 120511-73-1 2187 144213873 A A Anastrozole N#CC(C)(C)c1cc(cc(c1)C(C)(C)C#N)Cn2cncn2 Tox21_303568 -NCGC00016374-05 196697333 tox21-ror-cho-viability-p1 set1 4 -5.61309572 2.02266771 0.11903829 -0.9926695 -0.85134122 0.50821112 -4.21446856 0.3173746 0.21672849 1.23421394 -4.4382241 0.10218296 -1.30032042 1.29947427 1.44906253 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 121-59-5 8480 170466507 A Carbarsone O=C(N)Nc1ccc(cc1)[As](O)(O)=O Tox21_110404_1 -NCGC00015163-09 196697337 tox21-ror-cho-viability-p1 set1 4 -0.54355397 -3.16327172 -4.2199502 -5.31362608 -3.55246591 -3.87492803 -0.76372287 -4.41264396 1.54435723 -0.06592626 1.4403178 0.19785176 0.4251678 0.37470795 0.15699581 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14919-77-8 26964 170465804 Z Benserazide Cl.Oc1ccc(CNNC(=O)C(N)CO)c(O)c1O Tox21_110573_1 -NCGC00164164-02 196697342 tox21-ror-cho-viability-p1 set1 4 0.06789314 1.48677043 -2.67376524 0.83977677 -4.30211315 0.37401157 -0.23794517 -6.42151661 0.47652173 -0.15362338 1.09877899 0.71352645 0.1101718 0.08530869 2.84010731 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00094856-05 196697392 tox21-ror-cho-viability-p1 set1 4 29.8492948118 16.6544668801 1.3455331199 18 2.4063783767 0.8376076835 0.0032976642 0.51334509 1.21359046 5.52365862 0.84495744 1.07998124 1.33912671 0.01768207 2.1314486 1.86119494 1.06510472 1.43160417 -0.1287224 3.84921681 4.68092793 13.96964443 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 73-24-5 190 170465950 A Adenine Nc1ncnc2ncnc12 Tox21_111348_1 -NCGC00274067-01 196697422 tox21-ror-cho-viability-p1 set1 -2.4 33.4914596268 -28.9192461959 -1.5 -30.4192461959 4.9549173134 0.9470620804 0.0000115785 -3.419014 -2.77123931 -1.46326366 -2.52061069 1.27690342 0.85798161 -1.72853814 -3.15770554 -2.59622107 -2.8122625 0.2699038 -2.12343656 -1.82364568 -4.29162923 -25.34937183 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 496775-61-2 25181561 170465399 A F Eltrombopag olamine O=C(O)c1cccc(c1)c4cccc(N\N=C2\C(=O)N(N=C2C)c3ccc(C)c(C)c3)c4O Tox21_113965 -NCGC00259121-01 196705724 tox21-ror-cho-viability-p1 set1 4 -17.55131399 -8.18098915 -16.93345828 -15.75465647 -10.77886731 -11.15212041 -10.1837391 -12.3899456 -7.65485099 -11.70501939 -9.75192754 -10.9070115 -0.57922628 -12.25126926 -9.23410194 1.152E-9 2.575E-9 5.759E-9 1.288E-8 2.879E-8 6.439E-8 1.44E-7 3.219E-7 7.199E-7 0.00000161 0.000003599 0.000008048 0.000018 0.00004024 0.00008998 2212-67-1 16653 144208770 A A Molinate O=C(SCC)N1CCCCCC1 Tox21_201572 -NCGC00091278-03 196705324 tox21-ror-cho-viability-p1 set1 4 0.0076958822 -7.113144228 7.5 0.386855772 0.9999999999 0.3638801718 0.3088070171 5.09292477 6.83297666 7.56864613 -0.47437671 1.01040833 0.97213761 0.56273612 5.95107048 0.94003792 -0.85723276 -3.61052738 0.44483173 0.18854187 4.97659626 -4.67762019 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00259295-01 196705718 tox21-ror-cho-viability-p1 set1 4 2.65751883 6.5737347 1.98862391 3.17473669 4.00792547 -0.81961838 3.12985386 1.11542188 0.78920863 8.14787889 0.6674792 0.14627132 -0.93445257 3.85598851 3.5883611 1.1859999999E-9 2.6519999999E-9 5.929E-9 1.326E-8 2.9649999999E-8 6.629E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008286 0.00001853 0.000041429999999 0.00009265 2426-08-6 17049 144208944 B B Butyl glycidyl ether CCCCOCC1CO1 Tox21_201746 -NCGC00259547-01 196705723 tox21-ror-cho-viability-p1 set1 -2.2 61.6904908231 -51.5814569043 -2.718623594 -54.3000804983 1.0999999999 0.8223326902 0.0047927538 -6.44473502 -3.23659244 1.04981132 -2.71206969 -1.65642441 -2.59916381 0.1942475 -6.20852511 -1.41821937 -0.14172908 -6.30181872 -19.06407968 -10.85528088 -15.94564566 -41.13642462 1.189E-9 2.6589999999E-9 5.945E-9 1.3289999999E-8 2.9719999999E-8 6.647E-8 1.486E-7 3.323E-7 7.4309999999E-7 0.000001662 0.000003716 0.0000083079999999 0.000018579999999 0.00004154 0.00009289 66-71-7 1318 144209196 A A 1,10-Phenanthroline c1ccnc3c1ccc2cccnc23 Tox21_201998 -NCGC00091210-02 196705731 tox21-ror-cho-viability-p1 set1 4 -12.59526767 -0.66796239 -6.4229561 -8.35846469 -8.12741538 -1.56110217 -7.76656411 -6.90948136 -2.77010306 -12.33439275 -10.95352498 -7.20167295 -6.60668691 -4.26044217 -5.63072799 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00259767-01 196705738 tox21-ror-cho-viability-p1 set1 4 -13.88425651 -3.33042057 -11.07268063 -16.40847471 3.90680834 -5.32819335 -0.03888454 -2.9023867 -2.60628441 -11.08013501 5.49641071 -5.79244363 -0.99075798 -10.73339724 -2.17495639 1.177E-9 2.6319999999E-9 5.8849999999E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.0000036779999999 0.000008225 0.00001839 0.00004113 0.00009196 41340-25-4 3308 144209416 A A Etodolac O=C(O)CC3(CC)OCCc2c3nc1c(cccc12)CC Tox21_202218 -NCGC00260233-01 196703250 tox21-ror-cho-viability-p1 set1 -2.1 60.8198633448 -127.4744101619 0 -127.4744101619 2.5884283767 0.9766498765 1.159E-7 2.10534722 -0.23619742 6.19932042 1.12364965 -0.96340102 2.7525739 0.90521797 4.41953575 -10.35408297 0.12847878 0.33838691 -1.6517779 -10.79667152 -31.19077377 -96.57152285 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.468E-7 3.2829999999E-7 7.3419999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.00001835 0.00004104 0.00009177 112400-86-9 11074101 144209883 FNS 1-Butyl-4-methylpyridinium chloride [Cl-].Cc1cc[n+](CCCC)cc1 Tox21_202685 -NCGC00257636-01 196702431 tox21-ror-cho-viability-p1 set1 4 -7.96834921 -2.15789025 4.70155885 -6.10828761 -10.45671295 -2.22416595 -11.65894407 -10.83241122 -9.04438971 -12.57024705 -9.10529004 -4.66412666 -7.5096296 -5.33815562 -5.5532796 1.185E-9 2.6499999999E-9 5.9249999999E-9 1.325E-8 2.962E-8 6.6239999999E-8 1.481E-7 3.312E-7 7.406E-7 0.000001656 0.0000037029999999 0.0000082799999999 0.00001852 0.0000414 0.00009258 76-57-3 5284371 144207280 A A Codeine COc1ccc2C[C@H]4N(C)CC[C@@]35[C@@H](Oc1c23)[C@@H](O)C=C[C@@H]45 Tox21_200082 -NCGC00257743-01 196702836 tox21-ror-cho-viability-p1 set1 4 2.94099902 2.76924479 0.65498978 5.89674734 3.66396127 -1.42054302 3.95406435 0.95858571 5.66097087 3.29072253 -1.31502136 1.12377823 4.42192015 0.15473839 3.0051564 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 75-25-2 5558 144207387 AC A Bromoform BrC(Br)Br Tox21_200189 -NCGC00257615-01 196702847 tox21-ror-cho-viability-p1 set1 4 0.0306378587 -7.3784943799 -4.51492118 -11.8934155599 1.826479391 0.6684921023 0.0542998235 -6.05058854 -2.09576765 -7.61284932 -2.15866948 -8.87489033 -12.2097276 -11.35462322 -12.83991534 -9.1276736 -9.4573484 -8.64523856 -12.95873885 -13.67016603 -14.0778463 -11.71472201 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041229999999 0.00009218 85-69-8 6818 144207259 A A Butyl 2-ethylhexyl phthalate O=C(OCCCC)c1ccccc1C(=O)OCC(CC)CCCC Tox21_200061 -NCGC00357128-01 196703253 tox21-ror-cho-viability-p1 set1 4 1.03584991 -2.39905128 -0.11029305 -0.13876978 -0.37322223 0.77536822 -1.53499121 1.78530576 6.17292128 -1.56075766 -1.05213435 3.72549769 1.04500268 -0.76904136 -2.04484582 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-98-6 6866 251919959 A 4,7-Dichloroquinoline Clc1cc2nccc(Cl)c2cc1 Tox21_303863 -NCGC00356975-01 196703257 tox21-ror-cho-viability-p1 set1 4 -0.82570936 3.44351525 2.68974639 1.5189153 1.87984523 0.3866678 6.35296039 -0.05654951 1.06413488 4.35883162 2.0607772 1.94896681 4.2148103 -0.6068043 4.5460469 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 591-12-8 11559 251919822 F alpha-Angelica lactone CC1=CCC(=O)O1 Tox21_303997 -NCGC00090942-03 196703671 tox21-ror-cho-viability-p1 set1 -2.1 68.5896218971 -102.2728440464 -0.776345872 -103.0491899184 3.6772481694 0.956606902 0.0000038505 3.19272749 -4.461385 0.87486732 2.12726879 4.6958906 1.01333502 -0.95465333 2.51695629 0.31898854 0.8815029 -12.85499026 -0.23117954 -6.00719972 -13.92547595 -78.06756812 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00257438-01 196719315 tox21-ror-cho-viability-p1 set2 4 0.0306378587 5.6455068079 -0.1455068079 5.5 1.21 0.3664409887 0.3068319346 -0.53792234 1.31889327 -0.11099637 2.27505872 1.80135461 5.50934854 1.59938251 4.5401206 10.73821888 8.48199174 8.70395439 5.41684361 2.57271166 1.03768614 2.24247491 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52479-85-3 40399 144213864 A A Exifone Oc2ccc(C(=O)c1cc(O)c(O)c(O)c1)c(O)c2O Tox21_303559 -NCGC00257357-01 196718892 tox21-ror-cho-viability-p1 set2 4 -0.9539741 -1.53545538 -6.58079808 -2.63106048 -7.6439771 -6.23695406 0.32565426 -5.32245661 -2.15901225 -3.97157676 0.64459719 -2.7598495 -11.10116503 -4.08725228 -1.71569632 7.314E-10 1.636E-9 3.657E-9 8.1779999999E-9 1.829E-8 4.089E-8 9.1429999999E-8 2.0439999999E-7 4.571E-7 0.000001022 0.000002286 0.000005111 0.000011429999999 0.00002556 0.00005714 129453-61-8 104741 144213958 F F Fulvestrant FC(F)(F)C(F)(F)CCCS(=O)CCCCCCCCC[C@@H]2Cc1cc(O)ccc1[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@H]23 Tox21_303656 -NCGC00257083-01 196718896 tox21-ror-cho-viability-p1 set2 4 3.60311799 0.27882987 -1.82606941 6.4099255 3.81334557 2.98092888 -0.28953197 0.58577582 -1.46613361 3.1928229 0 0.10114064 -0.43590638 0.82658017 2.73815788 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2855-13-2 17857 144213439 F Isophorone diamine NCC1(C)CC(C)(C)CC(N)C1 Tox21_303122 -NCGC00256856-01 196718898 tox21-ror-cho-viability-p1 set2 4 48.5577336745 -15.158500428 2.5 -12.658500428 1.4780888099 0.6760461657 0.0502600854 0.49909426 -0.35117877 0.46989268 2.500173 0.63725549 4.37263743 3.37063976 7.14839372 4.51410525 0.21314738 4.64810432 -0.73420061 -0.06241505 -3.22404135 -8.88208369 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 564-20-5 929262 144212861 A A (3aR)-(+)-Sclareolide O=C1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O1 Tox21_302544 -NCGC00256972-01 196719317 tox21-ror-cho-viability-p1 set2 4 1.17746234 -1.2145402 -1.56591323 0 0.28457839 -3.21481697 -2.31375039 -0.80022775 -1.34744046 -1.25194879 -1.94705209 -1.8278011 -2.95673143 -2.62519218 0 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-32-7 6966 144213435 F Ac 1H,3H-Benzo(1,2-c:4,5-c')difuran-1,3,5,7-tetrone O=C2OC(=O)c1cc3c(cc12)C(=O)OC3=O Tox21_303118 -NCGC00257446-01 196719325 tox21-ror-cho-viability-p1 set2 4 11.8151869663 -17.77650274 2 -15.77650274 1.9673362061 0.9203714815 0.0001015588 0.66533629 -0.78899287 -0.56607485 -0.25097082 3.32354479 4.56275341 0.89643321 3.75179207 2.99166518 3.93267152 0.00583394 -2.21509869 -11.08813808 -12.39852216 -16.48041895 1.044E-9 2.335E-9 5.22E-9 1.167E-8 2.61E-8 5.836E-8 1.305E-7 2.918E-7 6.5249999999E-7 0.000001459 0.000003263 0.000007296 0.000016309999999 0.000036479999999 0.000081569999999 146011-65-6 9850056 144213689 A FR145237 Fc5cc(F)cc(F)c5NC(=O)N(Cc1ccccc1)Cc3oc2ccc(C)cc2c3c4ccc(Cl)cc4 Tox21_303375 -NCGC00256364-01 196719337 tox21-ror-cho-viability-p1 set2 4 -2.49777536 -1.90732048 -0.91414668 -3.35222978 0.44345101 -3.07426633 -2.02512103 1.06121303 0.42816319 -3.34456411 -1.86495685 -0.5854908 -1.07266643 0.58029758 1.1787264 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-76-5 1480 144213199 A A 2,4,5-Trichlorophenoxyacetic acid Clc1cc(OCC(=O)O)c(Cl)cc1Cl Tox21_302882 -NCGC00256920-01 196719338 tox21-ror-cho-viability-p1 set2 4 -2.98623975 -0.28072183 -0.17576066 -0.39926696 0.95814753 0.67415489 2.05138369 3.72832617 0.69963631 0.49612647 2.32605445 2.29498365 2.2923114 1.87856039 3.20065548 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-29-5 7984 144212938 A Ac Oxacycloheptadecan-2-one O=C1CCCCCCCCCCCCCCCO1 Tox21_302621 -NCGC00254248-01 196719735 tox21-ror-cho-viability-p1 set3 4 0.086349218 7.3252323361 -10.192032412 -2.8668000759 1.0999999999 0.506365975 0.1738569374 -7.77911023 -16.41002701 -5.00548125 -6.14005494 -11.81224132 -9.81225503 -2.17125792 -3.53323591 -2.966752 -1.55566673 -3.42527414 -5.79232222 -3.17132352 -3.12673283 -2.30345432 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15310-01-7 27195 144210738 A A Benodanil O=C(Nc1ccccc1)c2ccccc2I Tox21_300420 -NCGC00254048-01 196719739 tox21-ror-cho-viability-p1 set3 4 -4.82567556 -7.17262845 -7.62442554 0.15061835 -0.35548891 -3.89135108 -6.50844252 -2.92875778 -3.01004213 -0.39755712 1.96176068 -2.83357061 -2.97354347 0.10249784 0.27965256 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 127-51-5 5372174 144210472 B Ac alpha-Isomethylionone CC1(C)CCC=C(C)C1\C=C(/C)C(C)=O Tox21_300152 -NCGC00254189-01 196719742 tox21-ror-cho-viability-p1 set3 4 12.27925259 5.73589553 7.40960008 -3.26018361 1.21482482 1.36563117 11.10984886 -2.29883897 0.15576749 -5.7561859 -4.19854063 10.30996693 4.62305433 5.42578126 6.29440144 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27178-16-1 33733 144210630 D Diisodecyl hexanedioate CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C Tox21_300310 -NCGC00253919-01 196719746 tox21-ror-cho-viability-p1 set3 4 0.0048557734 11.347641872 -11.847641872 -0.5 4.9549173134 0.6124165663 0.1020513946 -7.32991066 -16.53970156 -3.18744121 1.25247128 -2.64503629 -4.86193201 1.27606183 1.64800563 3.00558824 2.36238463 -1.46899186 2.87978014 -4.83250269 -2.97064815 -17.61324991 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-92-6 264 144210484 A A Butanoic acid CCCC(=O)O Tox21_300164 -NCGC00253616-01 196717171 tox21-ror-cho-viability-p1 set2 4 0.73352232 -0.87837897 1.93542736 -2.0047575 2.18962238 3.64242015 0.85904069 12.46077864 -3.51780818 -1.05596023 -2.77378828 0.66853964 -2.1325089 -0.33215619 0.06755274 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33045-52-2 118390 170466762 A F Methyl 5-sulfamoyl-o-anisate O=S(N)(=O)c1cc(c(OC)cc1)C(=O)OC Tox21_113746 -NCGC00247720-01 196717173 tox21-ror-cho-viability-p1 set2 -3 75.7083142977 -35.173310496 -3.5 -38.673310496 4.9549173134 0.8482307612 0.0023827886 -0.55989391 -9.41264035 -6.01469138 -2.98422994 -4.63248445 -0.13277906 -2.55521917 -6.45200564 0.35739795 -7.20509098 -2.8187535 -4.15221265 -3.58704764 -1.50154745 -30.56109208 1.164E-9 2.6039999999E-9 5.822E-9 1.302E-8 2.911E-8 6.509E-8 1.4549999999E-7 3.255E-7 7.2769999999E-7 0.0000016269999999 0.000003639 0.000008136 0.00001819 0.00004068 0.000090969999999 1422-07-7 15984075 144206437 A A Codeine hydrochloride Cl.COc1ccc2C[C@H]4N(C)CC[C@@]35[C@@H](Oc1c23)[C@@H](O)C=C[C@@H]45 Tox21_112884 -NCGC00247696-01 196717157 tox21-ror-cho-viability-p1 set2 4 6.9108378807 -14.213658324 10.5 -3.713658324 1.0999999999 0.725410398 0.0278064677 6.66185781 7.66450244 11.89823687 11.89390586 11.63206534 12.54930791 13.39935194 12.75778742 1.20573769 8.34056351 8.46729352 0.74121029 0.1317534 -4.34471527 -1.18825166 1.307E-9 2.9229999999E-9 6.536E-9 1.461E-8 3.268E-8 7.3069999999E-8 1.634E-7 3.654E-7 8.1699999999E-7 0.0000018269999999 0.000004085 0.000009134 0.00002042 0.00004567 0.00010209999999 117332-93-1 46783063 144206399 A A N-Phenyl-N-[1-(2-thienyl)methyl-4-piperidyl]propanamide hydrochloride Cl.CCC(=O)N(c1ccccc1)C3CCN(Cc2cccs2)CC3 Tox21_112846 -NCGC00247341-02 196717158 tox21-ror-cho-viability-p1 set2 4 1.09297717 -5.53649477 -5.38502923 -4.45225444 1.1343534 -2.65414315 -5.25102263 -3.29440699 -3.34829607 -4.87744195 -0.534959 2.48169447 -1.60348824 -2.855414 -9.23795513 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.938E-8 6.568E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.000041049999999 0.0000918 125-79-1 31331 144206412 A A Premethadone CN(C)C(C)CC(C#N)(c1ccccc1)c2ccccc2 Tox21_112859 -NCGC00274057-01 196717178 tox21-ror-cho-viability-p1 set2 4 0.33974158 1.47810834 0.13522839 2.34470405 5.82563515 5.03038298 6.2699651 2.27912338 0.91707978 1.56667065 2.24814036 2.16487332 -0.13901077 -2.89841907 1.04023404 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 154-41-6 6433169 170465627 Z Phenylpropanolamine hydrochloride Cl.O[C@H]([C@@H](C)N)c1ccccc1 Tox21_110431_1 -NCGC00025172-02 196717576 tox21-ror-cho-viability-p1 set2 4 1.1983268 -2.54848683 1.85279072 -4.68808361 -3.66444321 0.26740809 -4.48797661 2.51631632 -2.62738695 -3.64216472 1.204731 0.88503563 -4.04973271 -2.98036985 -1.75321936 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84088-42-6 54676478 170466254 A Roquinimex CN(c1ccccc1)C(=O)C3=C(O)c2ccccc2N(C)C3=O Tox21_110951_1 -NCGC00090997-11 196717577 tox21-ror-cho-viability-p1 set2 4 1.69961128 0.97427898 0.70397013 3.99748919 1.18556483 0.29372776 4.19038425 2.88665244 2.08475457 2.6358454 -1.24650174 4.20846028 -2.52584401 1.48264586 0.68036881 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62-73-7 3039 170466226 Z Dichlorvos COP(=O)(OC)O\C=C(\Cl)Cl Tox21_111052_1 -NCGC00253689-01 196717585 tox21-ror-cho-viability-p1 set2 4 0.3349145963 3.899153028 0.100846972 4 4.9549173134 0.4440592136 0.2330257045 1.20889686 -1.88855408 -1.23740868 2.0335414 3.81670851 0.7416856 1.11409229 -5.74929419 2.81455256 3.70678609 3.21575348 4.57789199 2.63341959 3.6563416 7.05707859 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66532-85-2 68865 170466215 A F Propacetamol O=C(Oc1ccc(cc1)NC(C)=O)CN(CC)CC Tox21_113811 -NCGC00016765-09 196717597 tox21-ror-cho-viability-p1 set2 4 0.5308038637 -6.4827952279 2.5 -3.9827952279 2.2526478767 0.6025004417 0.1104370748 -0.39687295 4.15873585 0.46307622 -0.48022178 4.03498066 0.31209015 6.39016843 4.86791723 -0.77882186 -2.42082389 -0.9022085 -4.98566269 -4.63487391 -3.49752727 0.4605947 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 22494-42-4 3059 170464956 A Diflunisal OC(=O)c1cc(ccc1O)c2ccc(F)cc2F Tox21_110598_1 -NCGC00091759-02 196717996 tox21-ror-cho-viability-p1 set2 4 -0.68077273 0.52161542 -1.11973022 -0.90593088 -0.18470594 -4.51737379 -1.56067538 -0.2290064 1.75689808 0.23538194 1.09197274 1.54248519 4.54933067 2.73789452 -1.46414774 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00095105-05 196718010 tox21-ror-cho-viability-p1 set2 4 0.63848296 0.45053515 0.22106412 2.75977746 8.10065756 3.70767726 3.68953382 2.0114094 2.90900908 1.7291087 4.96558273 3.12336876 3.54584277 0.99142622 1.9803686 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 85-36-9 6806 170465154 F Acetrizoic acid O=C(C)Nc1c(I)c(c(I)cc1I)C(=O)O Tox21_111423_1 -NCGC00091278-03 196718405 tox21-ror-cho-viability-p1 set2 4 2.33112189 -1.46119245 -1.53160039 5.14324201 0.07900149 4.36150285 0.20719395 6.93206398 -2.87119606 2.55558487 9.34815889 0.03145331 -0.67146949 0.22093786 -5.91728066 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00091253-05 196718416 tox21-ror-cho-viability-p1 set2 4 2.2157519 -0.92828758 1.0196532 4.14735661 0.0586732 4.53473228 1.83263233 5.12623308 5.46574359 5.67679721 1.94102847 -0.97045828 1.41961423 -0.12391015 -0.32480513 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.000001608 0.000003595 0.000008038 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00249887-01 196697526 tox21-ror-cho-viability-p1 set1 4 1.04707566 2.62381208 2.21308845 0.13420837 0.13609701 -10.14388375 0.75749447 -2.48593697 -0.12010763 0.09025314 0.37983535 1.83971832 0.01443749 0.6217693 1.5656492 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 74517-78-5 52195 170465192 A A Indecainide NC(=O)C3(CCCNC(C)C)c1ccccc1c2ccccc23 Tox21_113663 -NCGC00160412-04 196697492 tox21-ror-cho-viability-p1 set1 -2.4 33.4914596268 -24.1082794959 -2 -26.1082794959 3.6772481694 0.779951428 0.0118559304 1.45276807 0.74808896 -0.33330033 -8.13011189 -1.9027552 -5.22424754 -3.57696989 0.45894911 0.66743649 -2.53113148 -2.0394934 -2.72438297 -3.97279119 -5.00996886 -20.50689958 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 31386-25-1 65776 170466638 A Indocate CN(C)CCOC(=O)c1cc3c(cc1)n(Cc2ccccc2)c(C)c3C Tox21_111796_1 -NCGC00181356-02 196697498 tox21-ror-cho-viability-p1 set1 4 -4.12514934 -2.20285693 -2.96227392 -1.75416299 0.24355277 0.01098238 0.5865 -0.30703123 -7.19297835 -3.63179628 -4.92778063 -3.66912645 -7.07991999 -0.90061159 -3.38334272 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6577-41-9 168884 170465824 A Oxapium iodide [I-].C[N+]1(CCCCC1)CC2COC(O2)(C3CCCCC3)c4ccccc4 Tox21_112814_1 -NCGC00095135-05 196697521 tox21-ror-cho-viability-p1 set1 4 0.05988745 2.12535998 -0.21935604 0.9160227 -1.73665952 -0.41952703 -2.35124501 2.45188821 -4.31676105 -2.3559342 -3.01032027 -6.16753784 0.17174628 -3.5128145 0.32609371 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 154323-57-6 123606 170465288 A Almotriptan O=S(=O)(Cc1ccc2ncc(CCN(C)C)c2c1)N3CCCC3 Tox21_111444_1 -NCGC00159479-05 196697527 tox21-ror-cho-viability-p1 set1 4 -0.06299472 -0.16011536 0.9807329 0.18920518 -0.07043774 1.32839532 1.4161264 -4.29303744 -1.16261672 1.24632953 0.5243224 0.9499568 0.26029963 1.82722822 -0.65864463 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 93-60-7 7151 170465506 A Methyl nicotinate COC(=O)c1cccnc1 Tox21_111702_1 -NCGC00015883-11 196697529 tox21-ror-cho-viability-p1 set1 4 0.06737409 -0.00706249 0.02990985 -0.05002773 1.9063554 0.17044733 0.53948313 0.46961718 -4.86217301 -3.42399132 -7.09371853 0.91347962 -6.68979076 -0.64919506 -0.56856574 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 106266-06-2 5073 170464925 A Risperidone CC=5N=C1CCCCN1C(=O)C=5CCN2CCC(CC2)c4noc3cc(F)ccc34 Tox21_110253_1 -NCGC00159424-04 196697545 tox21-ror-cho-viability-p1 set1 -1.1 2.3710137656 -69.6793755786 -3.356609081 -73.0359846596 2.7202212143 0.9892706583 1.3E-9 -4.99094109 -5.06577935 -5.45661343 -4.0380771 -6.5470806 0.17727979 0.29203094 -5.24696903 -4.28451885 -4.10765435 -24.27441963 -62.11143662 -65.13173262 -72.61381002 -78.27405987 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97-74-5 7347 170465567 A Tetramethylthiuram monosulfide CN(C)C(=S)SC(=S)N(C)C Tox21_111656_1 -NCGC00264046-02 196697552 tox21-ror-cho-viability-p1 set1 4 1.60652274 -1.31732121 2.34625927 0.87913083 2.37796213 0.38711085 -4.18399548 5.19431335 1.9411535 -2.85275681 3.92514526 0.09006805 -5.90561837 0.34980702 4.19049701 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 70-18-8 124886 170465600 Z Glutathione O=C(NCC(=O)O)[C@@H](NC(=O)CC[C@H](N)C(=O)O)CS Tox21_111371_1 -NCGC00094811-06 196697572 tox21-ror-cho-viability-p1 set1 4 -0.04841149 7.73506283 2.67288034 0.02524648 6.58666109 0.0075967 1.02690253 5.43641923 0.74117239 0.64978783 -0.468462 -0.04778203 0.30019742 0.12182318 0.3638827 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64092-48-4 16220118 170466073 A Sodium zomepirac [Na+].Cc2cc(CC([O-])=O)n(C)c2C(=O)c1ccc(Cl)cc1 Tox21_111006_1 -NCGC00183841-01 196697579 tox21-ror-cho-viability-p1 set1 4 2.54835681 7.10739412 2.13288487 0.36092356 1.81908974 10.48705235 2.26408607 1.3633662 1.6050298 0.00486925 -1.23150915 2.14701931 0.93470647 3.53875695 2.00343288 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 22661-76-3 31473 144206871 A A Amoproxan COc1cc(cc(OC)c1OC)C(=O)OC(CN2CCOCC2)COCCC(C)C Tox21_113320 -NCGC00015191-13 196697581 tox21-ror-cho-viability-p1 set1 4 1.11374845 -2.80941281 0.52824352 0.98665853 3.7255511 0.59805398 3.06796805 0.95123925 1.06062058 0.02672799 1.64344591 1.42481966 0.9752584 3.02058515 5.51162019 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80-77-3 2717 170465161 A Chlormezanone O=C1CCS(=O)(=O)C(N1C)c2ccc(Cl)cc2 Tox21_110093_1 -NCGC00257215-01 196727164 tox21-ror-cho-viability-p1 set3 4 0.0086349218 -6.8027599199 1.5 -5.3027599199 1.98874246 0.5002235309 0.197171249 -0.2854199 3.92642916 -3.45363861 -0.55635286 -8.12788554 -4.14848176 -4.13946886 -7.62456575 -6.57857906 -1.26179578 -4.53571086 -8.1689666 -3.61010835 -4.72945825 -0.59917133 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-16-7 444266 144213362 F A Maleic acid O=C(O)/C=C\C(=O)O Tox21_303045 -NCGC00256458-01 196727141 tox21-ror-cho-viability-p1 set3 4 30.6378586933 -17.170503632 1 -16.170503632 4.9549173134 0.906243488 0.0002349809 2.71962556 3.72026975 0.78014304 2.7402166 -2.01627569 -1.7978864 1.69897189 -1.28040614 2.07348946 1.08845599 -1.16708611 0.40666449 -0.17893757 -12.71442312 -16.39208636 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 491-80-5 5280373 144213218 A A Biochanin A COc1ccc(cc1)C3=COc2cc(O)cc(O)c2C3=O Tox21_302901 -NCGC00263530-01 196705328 tox21-ror-cho-viability-p1 set1 4 -1.34782744 2.67464141 1.90743018 0.21524017 0.71824736 -2.17348015 -0.89921801 1.7448948 -0.5950518 2.73641133 3.05741765 -0.65992417 -2.40621427 0.58012296 2.8030409 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118288-08-7 5282136 170465978 A Lafutidine O=S(CC(=O)NC/C=C\COc2cc(CN1CCCCC1)ccn2)Cc3ccco3 Tox21_112179_1 -NCGC00091010-03 196704921 tox21-ror-cho-viability-p1 set1 -3 29.8492948118 -58.5393115089 1.6792652289 -56.86004628 4.0949729863 0.9540276095 0.0000053045 4.18238988 2.65008962 -1.84997757 -0.0114751 1.13572162 -0.53684388 3.168817 7.78132352 -2.05891907 -0.86141029 1.8219714 5.16450753 -2.51688622 -8.52064129 -48.6333719 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 538-71-6 10866 170465494 A Domiphen bromide [Br-].CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 Tox21_111054_1 -NCGC00253654-01 196704927 tox21-ror-cho-viability-p1 set1 4 -0.54523226 4.43206872 0.77790862 5.72470695 0.74820375 2.43908275 -0.58536606 5.17746465 0.91577679 -0.12761928 0.63829586 1.26459129 1.21742587 3.02098769 3.47111824 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13255-50-0 83270 170466692 A A N-isopropyl-4-formylbenzamide O=C(NC(C)C)c1ccc(C=O)cc1 Tox21_113780 -NCGC00018139-05 196705336 tox21-ror-cho-viability-p1 set1 4 -4.1067114 0.80154293 -3.00658132 -10.57339758 -0.56333407 0.44659987 -0.59692177 -0.75907771 -2.69797206 8.03761897 0.63031465 -1.61578511 -1.15192282 -4.08293994 -7.4085598 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35212-22-7 3747 170465997 A Ipriflavone CC(C)Oc1ccc2c(c1)OC=C(C2=O)c3ccccc3 Tox21_113172_1 -NCGC00167963-03 196705344 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -11.492638332 1 -10.492638332 4.9549173134 0.5607841863 0.1285538735 0.074767 -0.00590694 2.54438882 2.59991997 1.98474614 0.77090257 -3.82642045 6.41687963 3.02662098 -0.0540553 1.42007775 0.10572363 0.81825484 0.05852158 -8.32719861 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3810-80-8 6432394 170465332 A Diphenoxylate hydrochloride Cl.O=C(OCC)C3(CCN(CCC(C#N)(c1ccccc1)c2ccccc2)CC3)c4ccccc4 Tox21_112593_1 -NCGC00259838-01 196705745 tox21-ror-cho-viability-p1 set1 -2.4 47.6702416765 -39.045857904 2 -37.045857904 2.0478617061 0.9060211507 0.0002361922 3.67032068 0.41968092 0.70124566 3.54147072 4.09168411 1.55246295 2.18868165 0.0975601 0.26555158 9.78210772 -2.8180426 -1.31680608 -2.03600203 -14.2651761 -28.78821492 1.162E-9 2.5969999999E-9 5.808E-9 1.299E-8 2.9039999999E-8 6.493E-8 1.4519999999E-7 3.247E-7 7.2599999999E-7 0.000001623 0.0000036299999999 0.000008117 0.000018149999999 0.000040579999999 0.00009075 108-03-2 7903 144209487 AC Ac 1-Nitropropane [O-][N+](=O)CCC Tox21_202289 -NCGC00258982-01 196705747 tox21-ror-cho-viability-p1 set1 4 2.67181287 3.42412429 -0.25520076 1.2535091 5.21295144 1.88277585 0.59457039 1.555754 -16.90341809 0 2.76803124 -3.78449099 -0.21953984 0.25059437 0.01112216 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.954E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3839999999E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.0000923 26761-40-0 22833326 144208629 A F Diisodecyl phthalate CC(C)(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)(C)C Tox21_201431 -NCGC00164449-04 196705749 tox21-ror-cho-viability-p1 set1 4 5.35778218 3.86025366 2.75105859 0.33912828 0.30970709 0.83066566 0.33154125 -0.50342587 3.82653424 11.4267229 1.73514942 2.77485105 1.63953273 0.34528745 0.31978577 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00259486-01 196705752 tox21-ror-cho-viability-p1 set1 4 34.8312076614 13.5620738399 -3.5620738399 10 0.6999999999 0.3654884859 0.3057495901 1.77168217 -1.31381218 -9.48958615 -11.3017282 1.50833428 -0.38856583 -4.97042277 -2.9134173 -7.52466151 0 0.73554363 -1.44862422 3.74547114 -0.19728713 7.66752493 1.193E-9 2.667E-9 5.9649999999E-9 1.3339999999E-8 2.982E-8 6.669E-8 1.491E-7 3.3339999999E-7 7.456E-7 0.0000016669999999 0.000003728 0.000008336 0.00001864 0.00004168 0.0000932 50-70-4 5780 144209135 D-Glucitol O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)CO Tox21_201937 -NCGC00259445-01 196705757 tox21-ror-cho-viability-p1 set1 4 -17.30213503 2.9710224 -4.37454725 -13.94042812 -7.49651634 -7.14212057 -7.15539226 -8.53030254 -3.65669195 0 -5.0268637 -7.27375127 -8.76396346 -9.25469668 -11.38345466 1.193E-9 2.6679999999E-9 5.9659999999E-9 1.3339999999E-8 2.9829999999E-8 6.67E-8 1.4919999999E-7 3.335E-7 7.458E-7 0.000001668 0.0000037289999999 0.0000083379999999 0.00001864 0.000041689999999 0.000093219999999 40487-42-1 38479 144209094 A A Pendimethalin [O-][N+](=O)c1c(C)c(C)cc([N+]([O-])=O)c1NC(CC)CC Tox21_201896 -NCGC00255581-01 196700791 tox21-ror-cho-viability-p1 set1 4 -0.71022428 2.48783696 -1.3824578 2.97948156 0.34128503 1.6553705 2.1093397 3.62816137 2.18941911 -0.11455291 3.09631523 3.44300102 1.10987598 0.38172534 1.57957242 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111991-09-4 73281 144212159 F F Nicosulfuron O=S(=O)(NC(=O)Nc1nc(OC)cc(OC)n1)c2ncccc2C(=O)N(C)C Tox21_301842 -NCGC00254989-01 196699962 tox21-ror-cho-viability-p1 set1 4 1.55446027 2.56657843 3.7527707 0.1194698 1.83670738 -0.6531477 2.18379026 -1.94247078 3.63509683 3.29575608 -1.16311705 1.31534676 0.1317302 -0.28017643 -1.30384821 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-49-1 7656 144211406 A A Dibenzylamine C(NCc1ccccc1)c2ccccc2 Tox21_301089 -NCGC00254383-01 196720153 tox21-ror-cho-viability-p1 set3 4 -0.62389946 0 -0.30707546 1.29841331 0.83991821 2.72789041 5.63215743 2.49027345 0 -0.69782942 -1.08434724 1.52638948 5.05378692 2.07806205 2.88770315 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112733-06-9 5724 144210777 A A Zenarestat Brc3ccc(CN2C(=O)c1ccc(Cl)cc1N(CC(=O)O)C2=O)c(F)c3 Tox21_300459 -NCGC00254724-01 196720156 tox21-ror-cho-viability-p1 set3 4 5.86756467 0.33661229 -0.6510523 5.72130791 12.71634119 5.47520128 4.81854742 3.83714035 -0.74818982 1.57857351 3.87417553 1.78767257 16.05490417 1.66223738 5.53077723 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-29-7 7647 144211137 A Ac Bibenzyl C(Cc1ccccc1)c2ccccc2 Tox21_300820 -NCGC00254376-01 196720565 tox21-ror-cho-viability-p1 set3 4 1.01613992 -8.49821097 -8.99283918 -11.42536959 -7.06395919 -6.53579335 1.57990069 -0.35014826 -7.48180653 1.0227017 -9.52899936 -5.80632457 0.70441688 -1.16755704 -10.24965898 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.00000369 0.000008252 0.000018449999999 0.000041259999999 0.00009226 134002-60-1 9956127 144210778 F CP-085958 O=C(O)c1cccc(c1)C[C@@H]2COc3ccc(cc3[C@@H]2O)OCc4nc5cc(F)ccc5s4 Tox21_300460 -NCGC00254597-01 196720584 tox21-ror-cho-viability-p1 set3 4 15.3553036427 -19.5124469079 3.5 -16.0124469079 3.9294729863 0.7757737742 0.0171086898 0.15622392 -2.08966735 0.60189215 5.57819661 0.91191708 3.20691718 4.94385125 6.46206261 6.72699857 2.1779887 7.5495985 6.77957319 -12.54312203 -14.17703909 -3.34776898 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-20-5 7601 144211006 A A 2-Phenylethyl phenylacetate O=C(OCCc1ccccc1)Cc2ccccc2 Tox21_300689 -NCGC00254131-01 196720585 tox21-ror-cho-viability-p1 set3 4 -1.75675221 -0.02535447 1.48935029 -5.46598017 11.96008546 5.79747585 0.93174633 -5.91947391 11.52094945 11.91150571 0.52836301 12.01174192 10.25236025 1.5960191 -3.51816935 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 929601-09-2 21935081 144210562 A A SR58611 Cl.Clc1cccc(c1)C(O)CNC2Cc3cc(ccc3CC2)OCC(=O)OCC Tox21_300242 -NCGC00090773-04 196720586 tox21-ror-cho-viability-p1 set3 4 6.13900664 0.6060335 -1.38260427 8.98119394 2.57164337 -1.55786897 -0.74004464 11.96454177 -2.66917187 4.58472999 13.68285425 7.69842365 6.00630124 7.29708761 -2.22561383 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00258918-01 196720980 tox21-ror-cho-viability-p1 set3 1.4 0.0027361567 22.1604493159 -20.6604493159 1.5 0.6 0.817405465 0.0054482409 -15.55037443 -4.89402228 -7.6743544 -5.83442869 -1.52284064 -2.42952866 -2.18608894 0.17263413 1.40656235 4.90712572 1.26400197 1.7615381 0.25204377 2.17252166 -0.91705574 1.182E-9 2.6429999999E-9 5.91E-9 1.322E-8 2.955E-8 6.608E-8 1.4779999999E-7 3.304E-7 7.388E-7 0.0000016519999999 0.0000036939999999 0.0000082599999999 0.000018469999999 0.000041299999999 0.00009235 50-22-6 5753 144208564 A A Corticosterone OCC(=O)[C@H]4CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_201366 -NCGC00259508-01 196720985 tox21-ror-cho-viability-p1 set3 4 4.3277125691 6.200945152 -1.200945152 5 4.9549173134 0.6237970602 0.0815462375 1.87784012 -1.04330501 -5.58412096 -2.09472274 -2.15805049 0.12859721 -0.37955884 -0.24725477 -2.91154044 0.5119641 0.5984316 7.53455698 1.55134028 7.69362151 3.63877386 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.000003688 0.000008248 0.00001844 0.00004124 0.000092209999999 12108-13-3 60196372 144209157 A F (Methylcyclopentadienyl)tricarbonylmanganese [Mn+].[C-]#[O+].[O+]#[C-].CC1C=[C-]C=C1.[O+]#[C-] Tox21_201959 -NCGC00259977-01 196720989 tox21-ror-cho-viability-p1 set3 4 -7.3068373 -6.4852356 -6.0401074 -0.42608407 -2.03649407 -5.89953635 -3.45824882 -4.68758272 -3.9997716 -3.65306502 -3.70026667 -5.38786867 -5.00568262 2.23357652 0.42034856 1.172E-9 2.6199999999E-9 5.858E-9 1.31E-8 2.929E-8 6.55E-8 1.465E-7 3.275E-7 7.323E-7 0.000001637 0.0000036609999999 0.000008187 0.00001831 0.00004094 0.00009153 999-97-3 13838 144209626 FC Hexamethyldisilazane C[Si](C)(C)N[Si](C)(C)C Tox21_202428 -NCGC00259629-01 196720997 tox21-ror-cho-viability-p1 set3 4 50.8380125849 10.2105864279 -4.2105864279 6 3.9294729863 0.6641761442 0.0570501064 -3.97884466 -5.02227575 -3.73141226 -0.58181759 -4.13146619 -4.10772598 -6.67421176 -5.18007546 -5.82136739 -0.78431525 -4.82176365 -7.67548869 -4.84375485 -0.61524357 5.27742682 1.226E-9 2.742E-9 6.132E-9 1.371E-8 3.066E-8 6.855E-8 1.5329999999E-7 3.4279999999E-7 7.6649999999E-7 0.0000017139999999 0.000003832 0.000008569 0.00001916 0.00004285 0.000095809999999 141-79-7 8858 144209278 A F 4-Methylpent-3-en-2-one C\C(C)=C/C(C)=O Tox21_202080 -NCGC00259053-01 196721377 tox21-ror-cho-viability-p1 set3 4 23.8917165522 12.531784272 -5.031784272 7.5 4.9549173134 0.6199049649 0.0833902191 -8.85824498 -9.19315356 -3.88001608 2.14632208 -5.22649701 -7.68803595 -0.98857815 -5.73609331 -6.15959393 -4.39874055 -7.34024518 -0.5410871 -3.2825646 9.51167353 4.96422511 1.162E-9 2.598E-9 5.8089999999E-9 1.299E-8 2.905E-8 6.495E-8 1.4519999999E-7 3.247E-7 7.2619999999E-7 0.000001624 0.0000036309999999 0.000008119 0.000018149999999 0.00004059 0.000090769999999 122-57-6 15909 144208700 A A Methyl styryl ketone CC(=O)C=Cc1ccccc1 Tox21_201502 -NCGC00025236-02 196717674 tox21-ror-cho-viability-p1 set2 4 -1.8268871 3.85153157 3.66051082 4.84142643 5.2047486 1.03809365 4.59283218 6.20143499 -1.74917715 3.597511 3.73488872 2.54839721 2.59795695 1.5500965 1.77436474 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 111686-79-4 60510 170466538 A Remacemide hydrochloride Cl.NCC(=O)NC(C)(Cc1ccccc1)c2ccccc2 Tox21_110956_1 -NCGC00254779-01 196719694 tox21-ror-cho-viability-p1 set3 4 5.13615339 5.82838088 3.64940862 6.41592619 1.46547042 3.05830888 6.83850497 -5.64457279 10.17501456 -0.3972251 2.63235474 2.17618264 7.2508312 8.74026474 5.54045828 1.309E-9 2.927E-9 6.5449999999E-9 1.463E-8 3.272E-8 7.317E-8 1.6359999999E-7 3.658E-7 8.181E-7 0.000001829 0.00000409 0.000009146 0.00002045 0.00004573 0.00010229999999 695-06-7 12756 144211192 A Ac gamma-Caprolactone O=C1CCC(CC)O1 Tox21_300875 -NCGC00256714-01 196718844 tox21-ror-cho-viability-p1 set2 4 4.8557733675 5.111974972 -4.611974972 0.5 3.9294729863 0.3739188755 0.2993590248 -3.44709161 -0.38181274 -6.65408013 -4.19078444 -1.80523893 -4.69915479 -9.35170572 -1.89238121 -2.15063782 -10.92664581 -2.31448807 -0.86162566 0.67465314 0.08360451 1.01093798 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 24772-51-8 60196434 144213010 F Aluminum butan-2-olate (2Z)-4-ethoxy-4-oxobut-2-en-2-olate (1:2:1) O=C(/C=C(/C)O[Al](OC(C)CC)OC(C)CC)OCC Tox21_302693 -NCGC00256735-01 196719278 tox21-ror-cho-viability-p1 set2 -2.4 48.5577336745 -26.78511234 -1 -27.78511234 2.2526478767 0.9208923281 0.000098201 -0.6555881 0.06079975 1.50891807 2.16202329 -2.59333749 -0.84535703 -5.5535839 -1.12968166 -0.12046515 -1.74555088 -0.87308732 -0.0968961 -3.58176084 -12.46345224 -22.32092695 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 6533-00-2 16051930 144213928 A A dl-Norgestrel O=C4CC[C@H]3C(CC[C@@H]2[C@@H]3CC[C@@]1(CC)[C@H]2CCC1(O)C#C)=C4 Tox21_303623 -NCGC00254598-01 196719681 tox21-ror-cho-viability-p1 set3 4 -1.42385279 -3.18552293 2.80125868 -12.8863322 0.46688888 2.72747687 6.48441925 3.99589517 5.20179599 6.19011013 -11.5789714 -12.04043662 -11.86452056 2.69040195 2.83009028 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1124-33-0 14300 144211007 A 4-Nitropyridine-1-oxide [O-][n+]1ccc(cc1)[N+](=O)[O-] Tox21_300690 -NCGC00254749-01 196719699 tox21-ror-cho-viability-p1 set3 4 -4.08725922 -3.7569521 6.93651582 -1.34391423 -2.85654232 12.19763431 -6.87120675 9.57234122 -5.94418299 11.41380386 -0.73362266 8.43189255 1.83389556 4.6318372 -1.24902219 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 116-06-3 2086 144211163 A A Aldicarb CC(C)(\C=N\OC(=O)NC)SC Tox21_300846 -NCGC00163919-02 196719700 tox21-ror-cho-viability-p1 set3 4 27.9459419698 -14.805003228 -1.5 -16.305003228 4.9549173134 0.6258451435 0.0925277512 0 -8.21423834 -2.8856507 1.07290248 -3.87537357 0.3713213 2.24080973 0.6851398 -3.8566706 -4.62633637 -1.88492614 1.29340684 -1.46448682 -16.08750269 1.16467079 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00254405-01 196720098 tox21-ror-cho-viability-p1 set3 4 4.25173479 3.40386398 -2.53737504 20.73828606 5.63685115 9.11533968 -0.24154678 2.75107836 4.58704196 9.67972077 0.07331237 11.35652667 -1.02279822 1.67217731 4.44483105 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-55-3 7565 144210830 A A p-Bromodiphenyl ether Brc2ccc(Oc1ccccc1)cc2 Tox21_300512 -NCGC00254571-01 196720104 tox21-ror-cho-viability-p1 set3 4 0.0023681201 11.9941752599 -12.9941752599 -1 4.9549173134 0.7576553515 0.0174295039 -11.35171204 -13.74514605 -4.09753151 0.50392997 -4.95529808 -3.1193189 2.15202489 -0.38485051 2.22151364 -1.17294337 -1.9626388 2.35691746 -0.03739438 -2.40751621 -4.37274889 5.8929999999E-10 1.3179999999E-9 2.9459999999E-9 6.588E-9 1.4729999999E-8 3.2939999999E-8 7.366E-8 1.647E-7 3.683E-7 8.2349999999E-7 0.0000018409999999 0.000004118 0.000009207 0.000020589999999 0.00004604 56-38-2 991 144210980 A Ac Parathion S=P(Oc1ccc(cc1)[N+]([O-])=O)(OCC)OCC Tox21_300663 -NCGC00091380-04 196720520 tox21-ror-cho-viability-p1 set3 4 11.25054871 3.52244879 -17.08188197 0.79786205 -0.1949224 3.51498102 2.09756051 -1.73540795 -1.25782556 -0.78560869 5.84026436 1.56382221 2.0519536 3.75607536 -1.01623214 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00259844-01 196720932 tox21-ror-cho-viability-p1 set3 4 -4.36727797 -1.75637554 -1.14845141 7.25034478 -3.10426189 -4.3525747 -4.68973091 -3.2097363 -3.51124997 0.42978737 -0.01618563 -0.62418016 -0.5361567 -6.05631644 1.03522165 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.00001844 0.000041219999999 0.00009218 10605-21-7 25429 144209493 A A Carbendazim O=C(OC)Nc1nc2ccccc2n1 Tox21_202295 -NCGC00257062-01 196719306 tox21-ror-cho-viability-p1 set2 4 2.25190099 1.45740544 2.36516466 1.69092515 -0.36229309 -4.79989424 0.73179502 1.15691744 -0.42754168 -12.21498395 -0.29636083 0.89063479 0.51001308 0.3341564 1.06107956 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16219-75-3 27756 144213384 Fns 5-Ethylidene-2-norbornene CC=C2CC1C=CC2C1 Tox21_303067 -NCGC00257177-01 196718870 tox21-ror-cho-viability-p1 set2 4 0.91759321 -0.84801571 1.94702057 1.52529033 1.95727726 6.26953145 2.23943279 2.70868893 0.21864368 2.88932683 1.99280442 -4.49641984 0.12138925 1.22059258 6.16095934 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 688-84-6 12713 144213389 A Ac 2-Ethylhexyl methacrylate O=C(OCC(CCCC)CC)C(=C)C Tox21_303072 -NCGC00256812-01 196719301 tox21-ror-cho-viability-p1 set2 -2.4 68.5896218971 -37.639651428 3.5 -34.139651428 3.6272481694 0.7135858419 0.0322846951 0.536401 -2.53515688 3.64961701 1.27788784 0.84087098 11.40041659 2.95160442 12.2338918 1.51382873 10.33261814 3.48796723 -2.7920374 -0.9475758 -1.70600057 -25.11637619 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21834-92-4 576026 144212775 Z F 5-Methyl-2-phenyl-2-hexenal CC(C)CC=C(C=O)c1ccccc1 Tox21_302458 -NCGC00093354-05 196697268 tox21-ror-cho-viability-p1 set1 4 -0.1464911 -7.69241568 0.13760684 -0.27032982 -0.51004262 -1.02706219 0.50757929 -0.32811915 -3.90256944 0.23488725 -0.39068766 0.08547492 2.58234199 -0.39624638 -0.36919766 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98-92-0 936 170464905 A Niacinamide NC(=O)c1cccnc1 Tox21_111202_1 -NCGC00093704-12 196697255 tox21-ror-cho-viability-p1 set1 -2.2 26.6032120037 -45.8029304925 0.731936225 -45.0709942675 3.6272481694 0.9538137222 0.0000054477 0.72566865 8.3581691 0.85857669 0.79681452 -1.05184907 0.95826211 -0.99852259 1.59398885 -1.54594119 0.59545741 -1.32454618 0.05201391 1.12803457 -13.27614175 -39.32246865 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59865-13-3 5284373 170466812 F Cyclosporine A C[C@H](C\C=C\C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C)C(C)C Tox21_110667_1 -NCGC00181912-01 196697256 tox21-ror-cho-viability-p1 set1 4 -4.78984973 -5.18140968 0.01986847 0.64514286 -1.19695413 -5.75110539 0.08333512 3.49036324 0.77200539 -0.82196908 1.1813766 -0.47606028 -0.49462327 0.11399956 1.09413475 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127985-21-1 10251042 144206800 A A Iomazenil O=C(OCC)c3ncn2c3CN(C)C(=O)c1c(I)cccc12 Tox21_113249 -NCGC00159477-05 196697257 tox21-ror-cho-viability-p1 set1 4 -0.24575366 -5.46916601 1.59638453 0.04400547 0.96716677 1.53652499 -3.30514023 -3.39205014 -2.90364545 -2.44316819 -0.69092209 -0.10014253 0.47745894 -1.90875882 -4.59117321 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103-82-2 999 170465102 Fc Phenylacetic acid OC(=O)Cc1ccccc1 Tox21_113042_1 -NCGC00160670-03 196697275 tox21-ror-cho-viability-p1 set1 4 0.96588293 0.77711071 1.28856695 0.92581685 1.91811666 2.26779488 3.64250548 1.25485424 0.36032059 -0.27852726 2.74411501 0.21652499 1.55572255 0.90632907 0.23178129 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15574-49-9 616236 170466217 A Mecarbinate O=C(OCC)c2c1cc(O)ccc1n(C)c2C Tox21_111974_1 -NCGC00015819-15 196697282 tox21-ror-cho-viability-p1 set1 4 37.5780357627 -9.204533108 1 -8.204533108 4.9549173134 0.5008976574 0.1818904351 -0.27598354 -3.21163348 2.75103829 0.24425153 3.37072353 -0.20835203 0.95356202 4.15264052 1.95596369 -1.01631153 1.37623588 0.9983236 0.86702 0.73080576 -6.00377759 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54063-53-5 4932 170464755 A Propafenone hydrochloride CCCNCC(O)COc2ccccc2C(=O)CCc1ccccc1 Tox21_110228_1 -NCGC00178811-03 196697318 tox21-ror-cho-viability-p1 set1 4 1.15211772 -1.55422949 2.49414468 0.4067046 3.31692568 8.91535255 3.69371959 1.26226471 -0.01589027 0.26667691 2.72546277 -2.49839203 2.1253725 1.36911251 3.99502385 5.899E-11 1.319E-10 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 467-55-0 91453 170466766 F Hecogenin O=C4C[C@@H]1[C@@]6(C)CC[C@H](O)C[C@@H]6CC[C@H]1[C@@H]5C[C@@H]3O[C@]2(CC[C@@H](C)CO2)[C@@H](C)[C@@H]3[C@@]45C Tox21_110443_1 -NCGC00258042-01 196729236 tox21-ror-cho-viability-p1 set3 4 0.0174393987 4.925541144 -4.925541144 0 4.9549173134 0.432173148 0.2439116031 -5.00297543 -1.03718029 -9.10461762 -4.33229891 0.32970569 -4.48378787 0.80348563 -0.21171007 -3.86028834 2.60867933 0.69152034 0.23952916 -1.53484821 2.10991449 1.14882815 1.1919999999E-9 2.6659999999E-9 5.9609999999E-9 1.333E-8 2.98E-8 6.664E-8 1.49E-7 3.332E-7 7.451E-7 0.0000016659999999 0.000003725 0.00000833 0.00001863 0.000041649999999 0.00009313 10326-27-9 5284346 144207686 Barium chloride dihydrate [Ba+2].[Cl-].[Cl-].O.O Tox21_200488 -NCGC00255679-01 196728820 tox21-ror-cho-viability-p1 set3 4 15.3553036427 -10.568835668 10 -0.568835668 3.9294729863 0.4333515719 0.2402794462 3.81241696 13.03291407 13.27256632 6.86085387 8.97257427 11.37798302 9.21714586 7.50956026 14.48449877 14.28405673 1.49174971 16.46522576 0.89921926 3.89982784 -3.39069639 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-96-5 7272 144212481 A I 3,6-Dimethyl-2,5-dioxo-1,4-dioxane CC1OC(=O)C(C)OC1=O Tox21_302164 -NCGC00163843-03 196728827 tox21-ror-cho-viability-p1 set3 4 0.79642316 -2.63859302 -1.41868749 0.52336729 1.950934 1.59927048 0.6416789 0.73196365 3.12308719 0.44475662 3.3995036 0.45594266 -0.86648586 -3.08337568 -1.72317558 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00258552-01 196729228 tox21-ror-cho-viability-p1 set3 4 -3.39991985 0.48183936 -0.13766983 0.10652787 0.23834553 0.9403566 -0.46173074 2.02928894 1.39127827 1.10846709 -0.20252159 1.09589439 3.70349503 1.21285928 0.93003604 9.546E-10 2.134E-9 4.773E-9 1.067E-8 2.3859999999E-8 5.3359999999E-8 1.193E-7 2.668E-7 5.966E-7 0.000001334 0.000002983 0.00000667 0.00001492 0.00003335 0.00007458 91-15-6 7042 144208197 A A 1,2-Benzenedicarbonitrile N#Cc1ccccc1C#N Tox21_200999 -NCGC00256470-01 196707007 tox21-ror-cho-viability-p1 set1 4 4.08101026 2.17166613 1.74105883 4.59055211 0.70491996 1.12023141 3.97204003 -1.5328087 4.51098621 5.59723327 2.75432241 -2.48773173 1.49248256 4.47237909 -0.8211761 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27470-51-5 5362 144213095 A A Suxibuzone O=C(O)CCC(=O)OCC2(CCCC)C(=O)N(c1ccccc1)N(C2=O)c3ccccc3 Tox21_302778 -NCGC00256555-01 196706997 tox21-ror-cho-viability-p1 set1 4 5.01713129 -1.12867183 1.86166249 1.41595982 -0.32693518 -1.40400506 3.94740819 2.06297044 7.76049224 -0.09605692 -1.51299389 4.10429272 -0.77066166 -0.32761374 8.15021507 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7705-08-0 166033 144213235 Ferric chloride [Fe+3].[Cl-].[Cl-].[Cl-] Tox21_302918 -NCGC00256363-01 196706998 tox21-ror-cho-viability-p1 set1 4 0.58313483 -1.05264141 -1.22177152 -0.81916575 -1.52622117 0.99834334 -1.63128145 -8.44589239 2.93302332 -7.73967196 -16.02497304 -2.78120709 -8.23513633 -1.20695493 2.54220919 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1114-71-2 14215 144213185 A A Pebulate O=C(SCCC)N(CCCC)CC Tox21_302868 -NCGC00256337-01 196707001 tox21-ror-cho-viability-p1 set1 4 -8.62668743 -6.08881444 0.89246313 -10.21343404 0.44040315 0.51298122 -3.12311687 -0.03900084 1.84943698 -6.24923583 0.02892473 -0.18025446 -4.91120335 -3.80560965 2.52212155 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-11-1 7173 144213103 A A 2,4-D isopropyl ester Clc1cc(Cl)ccc1OCC(=O)OC(C)C Tox21_302786 -NCGC00164127-03 196707430 tox21-ror-cho-viability-p1 set1 -2.1 61.130564862 -90.1418758603 -3.144444592 -93.2863204523 3.5117481694 0.9705363628 4.381E-7 -2.56653521 0.06670672 -7.9054967 -0.8143944 -0.62633879 -1.03498802 -3.1988746 -0.15933514 -6.55066603 -1.29460353 0.09117285 -6.9533182 -11.93793781 -20.16571883 -76.35327307 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00258171-01 196702027 tox21-ror-cho-viability-p1 set1 4 0.22893912 -5.86793325 -5.24089028 -4.44843353 -4.63748443 0.96455816 -4.35359666 -2.29820345 -5.64841145 1.48277325 -5.10433503 -10.7923485 -7.17191997 -2.82455125 -10.89356455 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004133 0.000092409999999 100-22-1 7490 144207815 A D N,N,N',N'-Tetramethyl-p-phenylenediamine CN(C)c1ccc(cc1)N(C)C Tox21_200617 -NCGC00258371-01 196701616 tox21-ror-cho-viability-p1 set1 4 -0.19364744 3.05586011 1.9017502 -0.08269646 2.28566193 -0.17722027 2.26748074 1.08114816 3.64174885 -7.98844197 6.38485598 -6.35730284 1.6218178 3.4337483 7.08158937 1.213E-9 2.7119999999E-9 6.064E-9 1.3559999999E-8 3.0319999999E-8 6.78E-8 1.516E-7 3.39E-7 7.58E-7 0.000001695 0.0000037899999999 0.000008474 0.00001895 0.000042369999999 0.00009475 108-05-4 7904 144208015 FNS Vinyl acetate CC(=O)OC=C Tox21_200817 -NCGC00257729-01 196701618 tox21-ror-cho-viability-p1 set1 4 -0.57812849 0.75121832 4.07583754 4.9899065 3.42481812 1.96876398 -0.36479265 -0.20973829 3.23833476 6.48351363 5.615546 3.33048723 5.28088759 0.16046526 0.32893721 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 99-48-9 7438 144207373 I I Carveol CC(=C)C1CC=C(C)C(O)C1 Tox21_200175 -NCGC00090885-03 196701626 tox21-ror-cho-viability-p1 set1 4 0.0136854288 -6.722217888 -1 -7.722217888 4.9549173134 0.388535175 0.3004843474 -4.27689588 -5.50319433 6.27292821 -3.80540192 -10.36168328 -2.44796914 -9.82366757 -3.71832642 -8.79555268 -10.60184824 -10.32764684 -8.7140418 -7.04939012 -5.6273987 -2.85144032 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00258737-01 196702032 tox21-ror-cho-viability-p1 set1 4 4.94382498 0.04428885 -0.26007834 1.65012166 0.42922925 5.227295 -3.34420001 1.97720245 1.87075206 -0.31563515 2.84869351 4.04896282 6.991018 4.25698207 1.9974731 1.193E-9 2.667E-9 5.963E-9 1.333E-8 2.982E-8 6.6669999999E-8 1.491E-7 3.3339999999E-7 7.4539999999E-7 0.0000016669999999 0.0000037269999999 0.0000083339999999 0.00001864 0.00004167 0.00009318 107-94-8 7899 144208383 A A 3-Chloropropanoic acid ClCCC(=O)O Tox21_201185 -NCGC00258443-01 196702033 tox21-ror-cho-viability-p1 set1 4 -2.34588158 -0.04711731 1.79566776 -2.30692786 1.95643375 -0.10816131 -0.54032262 4.39660103 -1.47838023 2.64805925 -1.0065923 -1.62639189 3.1937207 2.19295632 2.59737157 1.211E-9 2.707E-9 6.053E-9 1.3539999999E-8 3.027E-8 6.768E-8 1.5129999999E-7 3.3839999999E-7 7.567E-7 0.0000016919999999 0.0000037829999999 0.00000846 0.00001892 0.0000423 0.00009459 97-64-3 7344 144208087 A A Ethyl lactate CC(O)C(=O)OCC Tox21_200889 -NCGC00257802-01 196702036 tox21-ror-cho-viability-p1 set1 4 -0.5055736 4.05376166 0.79450906 5.3077524 0.09897958 -3.14330719 3.65005458 5.23248544 8.22404673 0.62403868 3.96981142 4.35920059 5.31107383 0.28130125 6.3603961 1.164E-9 2.603E-9 5.821E-9 1.302E-8 2.911E-8 6.508E-8 1.4549999999E-7 3.254E-7 7.276E-7 0.0000016269999999 0.0000036379999999 0.000008135 0.00001819 0.00004068 0.00009095 109-66-0 8003 144207446 FC Pentane CCCCC Tox21_200248 -NCGC00258641-01 196702044 tox21-ror-cho-viability-p1 set1 4 3.90342951 5.92831359 6.45154091 3.90464934 8.68786677 1.26370878 11.07972746 2.99533248 5.27177182 6.20131292 8.35193748 0.79229192 2.16291444 3.82856966 2.73408855 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.0000016719999999 0.0000037379999999 0.000008358 0.00001869 0.00004179 0.00009344 611-19-8 11906 144208287 B 2-Chlorobenzyl chloride ClCc1ccccc1Cl Tox21_201089 -NCGC00258331-01 196702444 tox21-ror-cho-viability-p1 set1 4 7.13489416 0.96089551 1.59436551 6.82454603 0.49366727 6.69711625 2.71439396 2.54043601 10.501921 6.4144395 9.31824931 1.2334757 9.00371633 -0.55653699 3.82886063 1.177E-9 2.6319999999E-9 5.884E-9 1.316E-8 2.942E-8 6.579E-8 1.471E-7 3.29E-7 7.356E-7 0.000001645 0.0000036779999999 0.000008224 0.00001839 0.000041119999999 0.000091939999999 110-54-3 8058 144207975 FNS n-Hexane CCCCCC Tox21_200777 -NCGC00259838-01 196721795 tox21-ror-cho-viability-p1 set3 4 -3.58840431 -0.36008905 -3.63163237 4.27372774 -1.96246839 -7.57463907 -2.024514 -1.71666518 0.75468409 -1.08605777 -2.74396455 -0.53750926 0.03264675 -0.97960358 1.80383003 1.162E-9 2.5969999999E-9 5.808E-9 1.299E-8 2.9039999999E-8 6.493E-8 1.4519999999E-7 3.247E-7 7.2599999999E-7 0.000001623 0.0000036299999999 0.000008117 0.000018149999999 0.000040579999999 0.00009075 108-03-2 7903 144209487 AC Ac 1-Nitropropane [O-][N+](=O)CCC Tox21_202289 -NCGC00259258-01 196721800 tox21-ror-cho-viability-p1 set3 -1.1 4.3585382615 -79.073327713 -2.104562781 -81.177890494 1.4641 0.9512556618 0.0075818903 -4.08732056 2.03478297 0.0547621 -1.0942746 -6.22206638 -6.53526939 -7.01052014 -3.36989738 -6.9863675 -5.06163474 -46.45432705 -79.38823385 -29.91010045 -68.04248567 -89.01084484 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.4829999999E-7 3.317E-7 7.417E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.00004146 0.000092709999999 2425-06-1 17038 144208907 I D Captafol ClC(Cl)C(Cl)(Cl)SN2C(=O)C1CC=CCC1C2=O Tox21_201709 -NCGC00259728-01 196722180 tox21-ror-cho-viability-p1 set3 -3 60.6956566783 -33.676710616 -4 -37.676710616 3.9294729864 0.9485755484 0.1676775335 -10.27289332 -14.06417554 -10.42251588 0.08761972 -6.10335137 -7.1862741 -6.51169797 -6.94212943 -12.11038224 -6.75375909 -7.81876545 -7.57452881 -6.8457884 -8.05334991 -32.23059218 1.173E-9 2.622E-9 5.863E-9 1.311E-8 2.931E-8 6.5549999999E-8 1.466E-7 3.277E-7 7.329E-7 0.0000016389999999 0.000003664 0.000008194 0.00001832 0.000040969999999 0.00009161 541-73-1 10943 144209377 AC F 1,3-Dichlorobenzene Clc1cccc(Cl)c1 Tox21_202179 -NCGC00259419-01 196722186 tox21-ror-cho-viability-p1 set3 4 -8.1133658 -1.4100198 -4.95271926 -6.77586302 3.07060355 -8.2457858 -6.87749016 -1.89963561 -9.13051662 0.59325336 -10.80382538 -10.55916326 -4.75812731 0.53093827 -3.74251147 1.1859999999E-9 2.6519999999E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001853 0.000041439999999 0.000092669999999 56-04-2 667493 144209068 A A 6-Methyl-2-thiouracil O=C1C=C(C)NC(=S)N1 Tox21_201870 -NCGC00257128-01 196719350 tox21-ror-cho-viability-p1 set2 4 2.30058193 1.92826888 0.53719201 0.05515124 0.17202796 4.49416742 2.13467086 5.15060603 1.42261417 -0.40741224 10.16685531 4.55638626 2.2667686 4.35209208 5.2422358 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-04-0 7849 144213510 Fns 1-Chloro-2-bromoethane BrCCCl Tox21_303193 -NCGC00256653-01 196718910 tox21-ror-cho-viability-p1 set2 4 -4.98335995 -9.40213143 -6.61394295 -4.79070306 -9.14741204 -4.41660823 -4.88390574 -1.71271467 -1.32302287 -9.21173592 0.52104713 0.44116633 -1.6195109 -1.15802988 -5.80755232 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 8006-90-4 144212981 M M Peppermint oil Tox21_302664 -NCGC00256931-01 196719346 tox21-ror-cho-viability-p1 set2 4 0.0216899429 8 5 13 4.9549173134 0.419678399 0.2702214104 3.26064455 9.96016404 3.06358119 3.34464626 13.6474428 13.7612583 9.91715999 15.8169654 18.94446961 13.6759333 18.63201682 10.48683519 2.74436438 10.98805892 1.72900041 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-52-2 7391 144213407 A A 4-tert-Butylcyclohexanol CC(C)(C)C1CCC(O)CC1 Tox21_303090 -NCGC00256393-01 196719349 tox21-ror-cho-viability-p1 set2 4 0.81881376 -5.62205557 -3.14631908 2.0465479 0.53909266 0.01621533 2.2829901 1.69517867 -0.75593838 -2.51245538 -1.01153079 1.09140958 -1.66258944 -5.42344429 -2.16745928 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 4998-76-9 2723770 144213077 A B Cyclohexylamine hydrochloride Cl.NC1CCCCC1 Tox21_302760 -NCGC00256727-01 196719361 tox21-ror-cho-viability-p1 set2 4 0.40705307 -3.07328301 -0.80936125 -19.12122324 -5.14657679 -1.84702369 -2.65692909 -0.75570232 3.7960991 -1.99016515 2.45149835 -2.06350442 0.62575616 2.94338342 2.45177354 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2398-37-0 16971 144212929 A Ac 1-Bromo-3-methoxybenzene COc1cc(Br)ccc1 Tox21_302612 -NCGC00090885-03 196719362 tox21-ror-cho-viability-p1 set2 4 -1.87449164 0.58555446 -1.08189189 1.40257944 3.68888731 1.49504582 -0.76140758 -1.85740799 -1.23501116 0.33565967 3.29170602 0.21928477 1.61328044 0.81839396 -2.01551459 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00254279-01 196719762 tox21-ror-cho-viability-p1 set3 4 0.3437624285 -9.7278489719 0 -9.7278489719 4.9549173134 0.3870171689 0.2840521392 0.87334021 -6.81725417 0.26075167 4.25457848 0.89896699 -3.24645102 3.84834982 -4.78188275 -7.9007881 -21.85654081 -6.43398886 2.57457407 -3.60032397 -18.25851796 -12.34468691 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6624-73-3 243694 144210842 A A Pentane-1,5-diyl dibenzoate O=C(OCCCCCOC(=O)c1ccccc1)c2ccccc2 Tox21_300524 -NCGC00254649-01 196719771 tox21-ror-cho-viability-p1 set3 -2.4 60.9441122888 -34.17409858 -3 -37.17409858 2.2526478767 0.7962711888 0.00860572 -10.26519668 -7.16128243 -5.26562019 1.88373349 -7.03837532 -3.77429846 -0.61887865 -0.5494496 -2.82921966 -1.81723584 1.11076995 -0.33601105 -6.72432253 -13.2065537 -27.64508215 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 1420-07-1 14994 144211060 A A Dinoterb O=[N+]([O-])c1cc(cc(c1O)C(C)(C)C)[N+]([O-])=O Tox21_300743 -NCGC00091602-02 196720592 tox21-ror-cho-viability-p1 set3 4 0.1722893406 -6.4031215961 7 0.5968784039 1.0999999999 0.6264114089 0.0798849345 4.13241276 6.606827 5.72020248 9.36397265 11.16505671 4.98357091 0.81334839 3.11192496 2.04313603 2.67992225 1.06208916 1.86308513 1.56345139 -2.00260133 0.66633542 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00258798-01 196721353 tox21-ror-cho-viability-p1 set3 4 2.39485283 -0.00640145 9.44475963 0.81791965 3.58258889 -0.08995706 0.47345894 -0.156182 2.53536761 3.91492093 -1.03505697 -0.2204574 -0.57918308 3.37201196 1.23605227 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.953E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008253 0.000018449999999 0.00004127 0.00009227 73-22-3 6305 144208444 A A l-Tryptophan O=C(O)[C@@H](N)Cc2cnc1ccccc12 Tox21_201246 -NCGC00258848-01 196721355 tox21-ror-cho-viability-p1 set3 -3 78.2127246844 -50.9313431269 -5.320886641 -56.2522297679 4.9549173134 0.8146778021 0.0057496805 -9.12960115 -4.74622523 -4.29012405 -2.13232406 -3.12506487 -6.4303166 -6.99869879 -6.03312933 -12.76095942 -1.44311641 -9.40920907 -7.41488514 -4.14055375 6.33200827 -46.87685814 1.196E-9 2.674E-9 5.9789999999E-9 1.337E-8 2.9899999999E-8 6.685E-8 1.4949999999E-7 3.3429999999E-7 7.4739999999E-7 0.000001671 0.000003737 0.000008357 0.00001869 0.000041779999999 0.00009343 72-54-8 6294 144208494 A A p,p'-DDD Clc1ccc(cc1)C(C(Cl)Cl)c2ccc(Cl)cc2 Tox21_201296 -NCGC00258943-01 196720952 tox21-ror-cho-viability-p1 set3 4 30.6378586933 11.028329612 -2.528329612 8.5 4.9549173134 0.5331290201 0.1500931602 -5.26580387 -0.45531247 1.79753625 6.58199947 -2.74546819 -4.9789437 -6.07647662 -4.02070738 -6.27360801 -0.88764979 -5.38271204 -2.57025411 -3.1305804 7.13403098 8.39421511 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.0000036889999999 0.000008248 0.00001844 0.00004124 0.00009222 1569-01-3 15286 144208590 A A 1-Propoxy-2-propanol CC(O)COCCC Tox21_201392 -NCGC00259860-01 196720965 tox21-ror-cho-viability-p1 set3 4 -4.62973148 -2.64898966 3.51668637 1.51042991 -1.36261912 -3.66767216 -2.43110785 -2.34893693 -4.21770143 -2.18469974 -2.88302821 -1.79661846 -3.97044268 -5.83548441 -2.14926027 1.196E-9 2.6749999999E-9 5.981E-9 1.337E-8 2.9899999999E-8 6.6869999999E-8 1.4949999999E-7 3.3429999999E-7 7.476E-7 0.0000016719999999 0.0000037379999999 0.0000083589999999 0.00001869 0.00004179 0.00009345 594-20-7 11660 144209509 FNS 2,2-Dichloropropane CC(C)(Cl)Cl Tox21_202311 -NCGC00259128-01 196721362 tox21-ror-cho-viability-p1 set3 4 19.5279364778 11.1179314519 -5.1179314519 6 4.9549173134 0.3464301316 0.3396593741 -8.9777249 -2.37572047 3.33041497 -6.36411975 -3.48622745 -11.34827621 -9.6598883 -5.80665153 -0.60083974 0.41742519 -8.98122536 -7.46486013 -0.05006806 5.56745736 -22.02917258 1.19E-9 2.66E-9 5.949E-9 1.3299999999E-8 2.975E-8 6.6509999999E-8 1.487E-7 3.326E-7 7.436E-7 0.000001663 0.000003718 0.000008314 0.00001859 0.00004157 0.00009295 92-06-8 7076 144208777 A A 1,1':3',1''-Terphenyl c1cc(ccc1)c2cccc(c2)c3ccccc3 Tox21_201579 -NCGC00259436-01 196721756 tox21-ror-cho-viability-p1 set3 4 -11.58224557 -10.26214051 -6.81214001 -6.61796049 -7.26626126 -9.29239466 -10.92797796 -6.18299987 -12.1315922 -3.70179935 -6.35506964 -10.5577897 -6.55766567 -13.05506651 -15.19237026 1.195E-9 2.672E-9 5.975E-9 1.336E-8 2.988E-8 6.6809999999E-8 1.494E-7 3.34E-7 7.469E-7 0.0000016699999999 0.000003735 0.000008351 0.00001867 0.00004175 0.00009336 57-11-4 5281 144209085 A Ac Octadecanoic acid O=C(O)CCCCCCCCCCCCCCCCC Tox21_201887 -NCGC00259189-01 196721776 tox21-ror-cho-viability-p1 set3 4 0.31374914 -0.52323885 -0.0242958 -0.3631954 -0.30509172 -0.8430576 -1.91201229 -1.37251131 3.24827215 -0.49298469 -1.0726976 3.97495099 0.54120549 2.94283171 1.68863071 1.141E-9 2.5509999999E-9 5.705E-9 1.276E-8 2.852E-8 6.378E-8 1.426E-7 3.189E-7 7.1309999999E-7 0.000001594 0.0000035649999999 0.000007972 0.000017829999999 0.000039859999999 0.00008913 563-47-3 11241 144208838 AC Ac 3-Chloro-2-methylpropene C=C(C)CCl Tox21_201640 -NCGC00258948-01 196722154 tox21-ror-cho-viability-p1 set3 4 21.6899429044 11.087990196 -5.587990196 5.5 4.9549173134 0.6562091931 0.0608571532 -4.87053789 -2.98925561 -4.32031785 -14.23999183 -7.27944147 -7.29332707 -7.46923895 -3.97084568 -4.23678488 -3.11097793 -3.71992581 -5.77004953 -2.52726839 5.05821959 5.11429936 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 57-50-1 5988 144208595 D Sucrose O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O Tox21_201397 -NCGC00259636-01 196722162 tox21-ror-cho-viability-p1 set3 4 -5.74564368 -5.23239821 -5.31560578 -2.80408426 -3.26045624 -6.46163757 -6.84010425 -5.55897386 -5.63148127 -1.59285382 -5.45752789 -3.92744713 -3.92007439 3.05559193 1.89192272 1.1699999999E-9 2.6159999999E-9 5.849E-9 1.3079999999E-8 2.925E-8 6.539E-8 1.462E-7 3.27E-7 7.311E-7 0.000001635 0.000003656 0.0000081739999999 0.00001828 0.000040869999999 0.000091389999999 97-59-6 204 144209285 A A Allantoin O=C1NC(=O)NC1NC(=O)N Tox21_202087 -NCGC00259464-01 196722165 tox21-ror-cho-viability-p1 set3 4 -15.51508221 -13.92467177 -9.09275568 -7.34652477 -12.53389223 -10.53430886 -14.80797842 -12.67351256 -8.42070165 -11.35486733 -17.85520399 -13.30701951 -11.93057688 -12.75590501 -24.18300427 1.1759999999E-9 2.63E-9 5.8799999999E-9 1.315E-8 2.94E-8 6.574E-8 1.4699999999E-7 3.2869999999E-7 7.35E-7 0.0000016439999999 0.0000036749999999 0.000008218 0.000018379999999 0.00004109 0.00009188 88671-89-0 6336 144209113 A A Myclobutanil Clc1ccc(cc1)C(CCCC)(Cn2cncn2)C#N Tox21_201915 -NCGC00259843-01 196722169 tox21-ror-cho-viability-p1 set3 4 82.5484212431 -25.398998328 -0.5 -25.898998328 4.9549173134 0.8268659687 0.0043157735 -0.26147984 1.66415898 -2.22761113 3.75352201 1.18987807 0.73020314 -3.1088097 -2.77200436 -2.00636406 -2.5141919 -0.43730728 -4.39022423 0.01654058 0.49296597 -19.91583194 1.251E-9 2.796E-9 6.253E-9 1.3979999999E-8 3.126E-8 6.991E-8 1.563E-7 3.4949999999E-7 7.816E-7 0.0000017479999999 0.000003908 0.000008739 0.00001954 0.00004369 0.0000977 2310-17-0 4793 144209492 A A Phosalone CCOP(=S)(OCC)SCN1c2ccc(Cl)cc2OC1=O Tox21_202294 -NCGC00015247-07 196722562 tox21-ror-cho-viability-p1 set3 2.1 10.5909294584 101.2423770879 -8.9620192434 92.2803578445 0.6999999999 0.8975816206 0.0003621515 -17.6219198 -3.10920855 -0.31805725 -16.96650498 -17.84973946 -2.47301514 3.22986664 -10.20008629 7.25821442 6.58190781 1.5957015 36.01772253 42.68784948 41.62477921 71.30362271 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6640-24-0 1355 170466760 A 1-(3-Chlorophenyl)piperazine Clc1cc(ccc1)N2CCNCC2 Tox21_110110_1 -NCGC00159392-05 196717229 tox21-ror-cho-viability-p1 set2 4 0.00226908 4.60664733 4.76674972 3.60390367 5.50030601 7.76821124 4.20308518 0.7869535 2.71056983 1.8666842 3.63311599 -0.1438111 0.77111353 -0.85099125 -0.85714598 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-15-8 5977 170465458 F 1,1,1-Trichloro-2-methyl-2-propanol ClC(Cl)(Cl)C(C)(C)O Tox21_111629_1 -NCGC00257361-01 196727640 tox21-ror-cho-viability-p1 set3 4 1.54465949 0.19032608 0.22748938 0.77745758 1.67812388 0.23555438 3.3087906 0.10876726 1.22915322 1.75396818 1.70302655 0.66339211 1.02236369 -0.22859855 1.0279788 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55589-62-3 11074431 144213685 A A Acesulfame potassium [K+].CC1=CC(=O)[N-]S(=O)(=O)O1 Tox21_303370 -NCGC00090965-04 196727654 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -12.838291384 -1 -13.838291384 3.9899729863 0.6871793022 0.0452603291 -1.0012352 1.09276506 -1.39581944 1.29396149 1.78338867 -0.97480614 -1.38896524 -1.04242152 -3.27569858 -1.4945186 -2.2945123 -3.08620864 1.36727469 -2.23471596 -9.86524282 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00257127-01 196727236 tox21-ror-cho-viability-p1 set3 4 2.84424638 1.86792119 0.18786034 1.30560329 1.61955856 2.99719761 -1.55812464 1.84511204 0.33668687 1.1598191 2.95792951 0.75521167 0.00690405 -0.77057187 1.34949077 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-20-9 7488 144213483 F F 1,4-Benzenedicarbonyl dichloride O=C(Cl)c1ccc(cc1)C(Cl)=O Tox21_303166 -NCGC00257238-01 196727241 tox21-ror-cho-viability-p1 set3 4 0.0006779295 -21.9447022441 23 1.0552977559 0.6 0.5027342855 0.1764016522 18.31228411 3.76384218 4.71133066 11.26275613 9.23998026 1.00237968 1.02251627 1.61511526 1.59299288 0.95894536 -0.78725187 8.13048699 0.19768925 -0.13037788 2.24657489 4.4769999999E-10 1.001E-9 2.238E-9 5.005E-9 1.119E-8 2.503E-8 5.596E-8 1.2509999999E-7 2.798E-7 6.256E-7 0.0000013989999999 0.000003128 0.000006995 0.00001564 0.00003497 NOCAS_48522 60196348 144213691 A A HMR1171 trifluoroacetate (1:1) FC(F)(F)C(=O)O.CCN(CC)C(=O)c1cc(c(cc1N(CC)CCN(C)C)N2CCC(CC2)c3ccccc3)S(=O)(=O)Cc4ccccc4 Tox21_303378 -NCGC00257128-01 196727659 tox21-ror-cho-viability-p1 set3 4 27.3060203028 11.23881138 0.76118862 12 4.9549173134 0.7649216265 0.0208397775 2.23564886 -1.86567615 1.76753628 0.93183066 -0.01800401 1.45885525 3.40658848 2.18996128 -0.33924552 -1.37049565 0.72801558 -0.56906661 2.08860657 10.56015731 -0.78679938 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-04-0 7849 144213510 Fns 1-Chloro-2-bromoethane BrCCCl Tox21_303193 -NCGC00255293-01 196728076 tox21-ror-cho-viability-p1 set3 -2.4 76.9588215421 -36.0268042879 2 -34.0268042879 4.9549173134 0.6836636709 0.0457372442 0.92905144 -0.24843575 -2.27153932 5.59162558 1.75965909 8.63346703 3.60482394 -5.28590358 1.51548214 7.75022731 -4.78895274 3.97678856 -4.40450097 9.86634984 -28.35567024 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4602-84-0 445070 144212351 Ac Cc Farnesol C/C(C)=C\CCC(\C)=C\CCC(\C)=C\CO Tox21_302034 -NCGC00256312-01 196728473 tox21-ror-cho-viability-p1 set3 4 4.8557733675 12.94238282 0.55761718 13.5 4.9549173134 0.620424969 0.0959390164 1.42511951 -0.52347851 -2.86568214 -0.5905745 -1.17219165 1.6734181 5.76157683 11.13430689 -5.36865235 -1.70116033 1.73753321 16.78958485 10.48810752 13.34226951 4.44714474 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68555-86-2 23703979 144212202 F Acid Orange 156 [Na+].O=S([O-])(=O)c3ccc(/N=N/c2cc(OC)c(/N=N/c1ccc(OC)cc1)cc2C)cc3 Tox21_301885 -NCGC00256146-01 196728476 tox21-ror-cho-viability-p1 set3 4 -1.29119815 -2.02900058 3.14700735 3.32189715 2.65369723 4.7187051 5.99319718 5.88004106 4.27264972 3.67029862 2.39134389 0.25683713 1.47704491 2.23189858 1.16569861 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2386-60-9 75430 144212004 F A Butane-1-sulfonyl chloride CCCCS(Cl)(=O)=O Tox21_301687 -NCGC00255337-01 196728479 tox21-ror-cho-viability-p1 set3 4 0.58989386 -16.22518935 0.26885256 6.60249685 -7.49304406 2.45008059 -0.57452136 5.53612667 7.80579029 -0.98534616 -4.00991288 13.07165792 -0.85179807 5.49190053 -2.79149936 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 53939-28-9 5364495 144212141 D F (Z)-11-Hexadecenal CCCC\C=C/CCCCCCCCCC=O Tox21_301824 -NCGC00255972-01 196728486 tox21-ror-cho-viability-p1 set3 -3 13.6854287769 -59.004622151 3.691951097 -55.312671054 3.0654483358 0.7991844249 0.0157092723 -0.51917642 -0.22952284 -2.81947269 0.24632054 2.86926989 -5.17763045 14.74716702 12.99738515 3.13352697 5.68919229 3.50510984 0.55626045 -41.41381104 -2.65242027 0.19254716 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13453-07-1 26030 144212433 Gold trichloride Cl[Au](Cl)Cl Tox21_302116 -NCGC00255532-01 196728888 tox21-ror-cho-viability-p1 set3 4 3.0637858693 -6.937720756 -1 -7.937720756 1.6266150999 0.6064815868 0.1074097554 -0.12217768 -3.98037473 -3.09393402 3.6890087 -1.13455703 -0.61917767 2.53987807 -3.13472121 -3.25928919 -2.10141893 -3.85167016 -8.52445589 -8.69810063 -5.87505018 -4.04190793 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2445-77-4 62445 144211909 A F 2-Methylbutyl isovalerate CC(CC)COC(=O)CC(C)C Tox21_301592 -NCGC00255695-01 196728897 tox21-ror-cho-viability-p1 set3 4 2.1689942904 23.5 6 29.5 0.3 0.362253069 0.3237873341 4.99569812 13.46065404 14.37150581 3.46090371 7.72282591 9.97834458 24.91629771 16.75124644 1.86552845 14.23766357 26.10344618 24.23243976 21.28257438 19.61689622 1.75720051 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 147-81-9 66308 144211850 A Arabinose O[C@H](C=O)[C@H](O)[C@H](O)CO Tox21_301533 -NCGC00258369-01 196702477 tox21-ror-cho-viability-p1 set1 4 1.46159689 0.86650607 0.08502463 3.32302448 4.17488136 3.49889588 3.69156992 0.74923751 4.58889155 -0.39344547 5.29105335 2.40462351 8.39051513 5.78433903 5.69853683 1.19E-9 2.6619999999E-9 5.9519999999E-9 1.331E-8 2.976E-8 6.655E-8 1.4879999999E-7 3.3269999999E-7 7.44E-7 0.0000016639999999 0.00000372 0.000008319 0.0000186 0.00004159 0.000093 50-23-7 5754 144208013 A A Hydrocortisone OCC(=O)[C@@]4(O)CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_200815 -NCGC00091261-03 196702893 tox21-ror-cho-viability-p1 set1 4 17.2289340586 -20.932834508 2.5 -18.432834508 1.78848746 0.9780525582 8.18E-8 2.07516862 0.78780904 2.6767212 2.32376243 1.87450699 2.76151681 2.70901763 4.80392345 2.08624601 2.35939811 1.24162396 -1.45888727 -9.7955382 -13.11252654 -18.27736209 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00258257-01 196702470 tox21-ror-cho-viability-p1 set1 4 -0.9892596 -9.65412987 -7.29772204 -5.50667555 -6.64550591 -2.90268185 -6.0709944 -7.67372279 -8.71562757 -15.06727782 -9.50117739 -17.40133065 -13.80416028 -3.69092446 -3.37522829 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.626E-8 1.482E-7 3.3129999999E-7 7.408E-7 0.000001656 0.000003704 0.000008282 0.00001852 0.000041409999999 0.000092599999999 118-92-3 227 144207901 A A Anthranilic acid OC(=O)c1ccccc1N Tox21_200703 -NCGC00257902-01 196702485 tox21-ror-cho-viability-p1 set1 4 43.585382615 15.821174344 -8.321174344 7.5 3.9294729863 0.734317512 0.0246892516 -7.8833704 -6.84693194 -8.07953764 -4.79298287 -6.53418383 -2.97470835 -12.35097862 -10.91151573 -7.5552638 -10.04426513 -10.63862708 -11.78547229 -9.25787911 -1.54774576 7.22186693 1.187E-9 2.6549999999E-9 5.937E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.3189999999E-7 7.421E-7 0.000001659 0.0000037099999999 0.000008297 0.00001855 0.000041479999999 0.00009276 633-65-8 12456 144207546 A A Berberine chloride [Cl-].COc2ccc1cc3c4cc5OCOc5cc4CC[n+]3cc1c2OC Tox21_200348 -NCGC00164168-02 196702896 tox21-ror-cho-viability-p1 set1 4 28.7843012995 -12.128671776 1.5 -10.628671776 4.5044702849 0.575295139 0.1317731941 -3.17976999 2.37651944 2.41738125 1.21822476 -0.83442893 1.02031747 5.78287799 4.59321528 4.21363549 0.08339666 -0.75699365 0.19308365 -0.09632704 -8.85722648 -1.89064909 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00260592-01 196702897 tox21-ror-cho-viability-p1 set1 4 -1.52462593 7.48657295 4.6167084 4.09579492 3.57616901 0.56148767 8.80229691 -0.73206861 3.28781621 5.08843575 -5.00665239 -2.15724151 -9.33315679 9.65699019 9.92666249 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49488 144210245 M M NTP Mix48 CT1 3-EQP Tox21_203047 -NCGC00357227-01 196703718 tox21-ror-cho-viability-p1 set1 4 38.5707788719 -8.2702648359 1 -7.2702648359 0.7999999999 0.549927146 0.1392774892 1.67226578 1.7031843 2.94282504 -0.24285232 -0.01909016 0.79444889 -0.71710816 4.15608978 -0.83596749 -0.28218198 0.24111198 -0.68502122 -3.93295928 -0.23309401 -6.05855403 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122931-48-0 91779 251919711 F Rimsulfuron O=S(=O)(NC(=O)Nc1nc(OC)cc(OC)n1)c2ncccc2S(=O)(=O)CC Tox21_304014 -NCGC00260319-01 196703732 tox21-ror-cho-viability-p1 set1 4 17.2760302334 -10.0765993719 -1 -11.0765993719 4.9549173134 0.6935024252 0.0423664734 -2.50793848 1.46815814 -3.16332056 -2.79726661 -1.4726372 -0.25806444 -0.2463407 -0.58358787 -0.48954526 -2.0482503 -1.13258883 -2.73779842 -2.25366582 0.59833348 -10.06383281 3.087E-10 6.902E-10 1.543E-9 3.4509999999E-9 7.7169999999E-9 1.726E-8 3.858E-8 8.6279999999E-8 1.929E-7 4.314E-7 9.646E-7 0.000002157 0.000004823 0.000010779999999 0.00002412 9005-00-9 75050 144209970 Ac Polyethylene glycol stearyl ether OCCOCCCCCCCCCCCCCCCCCC Tox21_202772 -NCGC00260597-01 196703733 tox21-ror-cho-viability-p1 set1 4 13.3331902297 12.6424524361 0.3575475639 13 3.9294729863 0.4802874263 0.2137590899 -0.71607391 -2.07694723 1.52373425 -0.52501932 0.19332912 -4.28537703 -2.62504 -0.20514272 11.30705042 1.17683918 1.35866279 0.37228153 0.95460108 14.12577701 2.44770322 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49493 144210250 M M NTP Mix51 CT1 3-EQP Tox21_203052 -NCGC00357191-01 196704133 tox21-ror-cho-viability-p1 set1 4 61.130564862 -23.762152944 1 -22.762152944 2.9522712143 0.6208535126 0.0825906143 0.9995959 4.2402176 -1.08931081 0.35354017 0.8626373 0.35881374 4.8438009 5.93982894 5.03856904 1.12596173 -10.41910413 0.60544016 0.17625515 -4.59533443 -17.30179412 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 540-38-5 10894 251919907 A 4-Iodophenol Ic1ccc(O)cc1 Tox21_303957 -NCGC00260293-01 196704142 tox21-ror-cho-viability-p1 set1 4 0.40450225 -1.93800819 -0.85586444 -1.32718586 -0.09935889 -1.90918364 -4.23508116 -0.27157134 11.8323366 -10.59018566 -8.44372933 -3.78788318 -2.41132795 3.29174916 -0.66288132 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 526-95-4 10690 144209943 Bc F D-Gluconic acid O[C@H]([C@@H](O)C(=O)O)[C@H](O)[C@H](O)CO Tox21_202745 -NCGC00357016-01 196704146 tox21-ror-cho-viability-p1 set1 4 13.6854287769 -14.0010304919 -1.5 -15.5010304919 2.3331733767 0.6544878684 0.0615883143 -0.22260175 1.13304796 -1.14609841 -0.30697004 -8.262814 -9.20690864 1.28789329 -4.96233007 0.39822567 0.18544965 0.59862941 -1.39584699 -15.41752541 -14.06088663 -13.98914528 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-16-3 8166 251919787 F Dodecanoyl chloride ClC(=O)CCCCCCCCCCC Tox21_303812 -NCGC00254197-01 196720203 tox21-ror-cho-viability-p1 set3 4 13.6854287769 -8.763656656 5 -3.763656656 3.9294729863 0.5573271142 0.1303445574 7.37469615 0.88299281 9.01466128 5.49208408 -0.83313644 7.22069601 6.34338661 7.49119785 2.47241642 4.31121468 1.07963795 6.49798923 -2.9788672 -3.96971388 -2.67149806 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131-17-9 8560 144210455 A A Diallyl phthalate O=C(OCC=C)c1ccccc1C(=O)OCC=C Tox21_300135 -NCGC00254771-01 196719803 tox21-ror-cho-viability-p1 set3 4 0.0019311525 -23.069485728 20 -3.069485728 0.3 0.44756751 0.2268989309 11.4602362 13.69130208 -3.05888826 0.8471979 6.51529445 6.71215478 6.3570301 -0.83963144 -3.8851811 -1.62971246 1.54598568 1.97813747 -0.47436375 -0.44335248 -6.72457144 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 40487-42-1 38479 144211184 A A Pendimethalin [O-][N+](=O)c1c(C)c(C)cc([N+]([O-])=O)c1NC(CC)CC Tox21_300867 -NCGC00254826-01 196719805 tox21-ror-cho-viability-p1 set3 4 6.1130564862 -7.0076775159 5.5 -1.5076775159 4.9549173134 0.5217694177 0.1771213969 1.97941634 4.40702932 7.69364423 2.94155552 5.59803864 6.687342 6.40765971 5.94194836 9.39933137 1.1072698 9.82356695 -2.50639793 -1.5982322 0.39589635 6.11177261 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2593-15-9 17432 144211241 A A Etridiazole ClC(Cl)(Cl)c1nc(OCC)sn1 Tox21_300924 -NCGC00253934-01 196719808 tox21-ror-cho-viability-p1 set3 4 -8.7786906 -11.1189725 -0.72159303 -1.88012647 -2.37784473 -2.31806688 -3.44510942 1.39641815 3.32208803 -8.32065733 -7.78732119 -8.55526949 3.86528349 -8.53557237 -3.89753122 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-46-7 4685 144210338 AC F 1,4-Dichlorobenzene Clc1ccc(Cl)cc1 Tox21_300018 -NCGC00163906-02 196720217 tox21-ror-cho-viability-p1 set3 4 1.47735427 -7.09781278 -0.20379921 -0.56924514 -1.0624663 -10.47280593 9.29013322 -6.32427104 -6.6017762 1.35926816 0.0844149 -0.24951114 0.27140167 1.25532231 1.50500899 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00254865-01 196720224 tox21-ror-cho-viability-p1 set3 4 -5.41807667 -4.95904641 -1.0790772 -10.90368226 1.4742978 4.1025878 -11.10048828 -11.13639236 5.62246664 -8.5895744 -8.1908332 -7.61181665 -2.46667296 -5.0434617 6.07507198 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-85-4 7461 144211280 FC gamma-Terpinene CC1=CCC(=CC1)C(C)C Tox21_300963 -NCGC00254953-01 196720632 tox21-ror-cho-viability-p1 set3 4 0.87393988 1.65405778 1.37595382 1.07302026 -0.80850615 2.66806899 -0.52654389 -0.11859193 0.39619686 2.15118958 -1.42074626 4.14061012 1.41804448 4.3937886 2.59364474 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33189-72-9 5367650 144211368 A Fc (E)-11-Tetradecen-1-ol acetate CC(=O)OCCCCCCCCCC\C=C\CC Tox21_301051 -NCGC00254348-01 196720637 tox21-ror-cho-viability-p1 set3 4 27.3060203028 12.0017703719 -3.0017703719 9 2.9522712143 0.6596681688 0.0589415352 -6.56380293 -10.00147531 -0.24391536 -0.86229627 -4.6882475 -2.46899473 -0.55902634 -1.89671622 0.42338136 -3.25148674 -3.35474537 -2.57499259 0.11427292 5.5152398 8.90440218 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527680-56-4 9932000 144210767 A A PHA-00568487 O=C(N[C@H]2CN1CCC2CC1)c3ccc4OCCOc4c3 Tox21_300449 -NCGC00090704-03 196720638 tox21-ror-cho-viability-p1 set3 4 4.02474599 11.68434337 7.01361212 4.18164827 8.93055137 -2.24063835 -8.14981504 -3.04125366 12.86633819 16.33089692 -5.37392113 -1.40342437 7.94935483 6.57022043 3.75477687 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00259569-01 196721037 tox21-ror-cho-viability-p1 set3 -2.4 77.350303218 -28.111438028 -3 -31.111438028 4.9549173134 0.6759821248 0.0497615083 -6.62973788 -0.4989924 -1.51732574 5.75344154 -4.13325224 -5.39620981 -5.60493776 -6.31641296 -8.78512163 -2.44052838 -1.88197799 -5.67853186 -3.51825076 0.64987875 -24.25953169 1.185E-9 2.6499999999E-9 5.9249999999E-9 1.325E-8 2.9629999999E-8 6.625E-8 1.481E-7 3.312E-7 7.406E-7 0.000001656 0.0000037029999999 0.000008281 0.00001852 0.0000414 0.00009258 106-51-4 4650 144209218 B Ac 1,4-Benzoquinone O=C1C=CC(=O)C=C1 Tox21_202020 -NCGC00258979-01 196721038 tox21-ror-cho-viability-p1 set3 -2.4 67.4055501551 -33.211934924 -3.67334732 -36.885282244 3.5117481694 0.8690905864 0.0012006356 -4.95907558 -0.1444561 -8.77727453 -5.0228024 -1.56383627 -4.66958702 -6.55411192 -0.20383537 -1.35045147 -0.95504576 -4.20104642 -3.7858016 -6.1751768 -7.15702614 -28.65440187 1.163E-9 2.601E-9 5.816E-9 1.301E-8 2.908E-8 6.503E-8 1.454E-7 3.2509999999E-7 7.27E-7 0.0000016259999999 0.0000036349999999 0.0000081279999999 0.00001818 0.00004064 0.00009088 446-72-0 5280961 144208626 A A Genistein Oc1ccc(cc1)C3=COc2cc(O)cc(O)c2C3=O Tox21_201428 -NCGC00260011-01 196721049 tox21-ror-cho-viability-p1 set3 4 -6.08449452 -6.89683314 -4.34363488 -0.30351624 0.35230982 0.35984784 -7.17473135 -5.23786802 -1.28781665 -2.96467935 -4.51307034 -6.5001173 -6.04227818 -0.92006796 -0.10411882 1.1679999999E-9 2.6109999999E-9 5.838E-9 1.305E-8 2.919E-8 6.5269999999E-8 1.4599999999E-7 3.264E-7 7.298E-7 0.0000016319999999 0.0000036489999999 0.000008159 0.000018239999999 0.000040799999999 0.00009122 88-12-0 6917 144209660 A A N-Vinyl-2-pyrrolidone O=C1CCCN1C=C Tox21_202462 -NCGC00254854-01 196719738 tox21-ror-cho-viability-p1 set3 4 0.0324109768 -17.78311635 -11.48866857 -8.80725105 -6.75256416 -6.56339324 -6.73331545 -4.81305701 1.53520473 1.40999219 0.68323784 -1.69175264 0.9076757 -0.86794543 -1.68511889 15.35226979 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1072-83-9 14079 144211269 A A 2-Acetylpyrrole CC(=O)c1cccn1 Tox21_300952 -NCGC00257486-01 196718890 tox21-ror-cho-viability-p1 set2 4 0.33298568 0.00828701 -0.52330689 -1.23887034 3.57499666 5.37656831 0.70905873 3.87460049 -0.36000577 2.29857818 -0.13755817 -0.79641947 1.90073371 0.2154999 4.88251273 2.536E-10 5.672E-10 1.268E-9 2.8359999999E-9 6.341E-9 1.4179999999E-8 3.171E-8 7.09E-8 1.585E-7 3.5449999999E-7 7.9269999999E-7 0.000001772 0.000003963 0.000008862 0.00001982 7785-70-8 82227 144213740 F (+)-alpha-Pinene CC2(C)[C@@H]1CC=C(C)[C@H]2C1 Tox21_303429 -NCGC00256824-01 196719319 tox21-ror-cho-viability-p1 set2 4 1.15676966 1.36928316 1.03174798 2.51191647 1.02364692 6.19107737 4.29143222 6.85463856 4.66911149 4.26832053 8.29933425 7.00594011 3.04380471 3.57743417 4.26057515 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-39-4 342 144212962 A A m-Cresol Cc1cc(O)ccc1 Tox21_302645 -NCGC00255092-01 196719731 tox21-ror-cho-viability-p1 set3 4 0.1219715124 15.5 7.5 23 1.0999999999 0.6539098659 0.0731987169 8.17020251 3.47431543 13.72589519 5.4347767 13.79441364 9.60241098 15.91567792 21.05889475 20.43924039 24.44883503 29.09862125 17.88017882 13.08884045 29.26926065 10.08622206 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-64-5 7945 144211511 FNS Ethyl isovalerate CC(C)CC(=O)OCC Tox21_301194 -NCGC00254725-01 196719740 tox21-ror-cho-viability-p1 set3 4 4.3738084 -2.64979356 2.47373233 -2.32888473 9.5377048 5.70227017 4.04582871 0.44830906 4.09999305 4.54079639 -2.64093729 1.83735091 -52.68526265 4.41844146 3.96248974 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87546-18-7 443048 144211138 A A Flumiclorac-pentyl O=C(OCCCCC)COc1cc(c(F)cc1Cl)N3C(=O)C=2CCCCC=2C3=O Tox21_300821 -NCGC00254519-01 196719743 tox21-ror-cho-viability-p1 set3 4 0.49678203 -8.55479308 3.12752827 0.41059168 -0.01711337 -3.81775345 1.45192096 -7.92428682 -9.83583695 -5.97759094 7.08697135 16.83131976 -9.06895929 11.33282683 4.98027556 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-86-3 31362 144210876 A A 2,4,7,9-Tetramethyl-5-decyne-4,7-diol CC(O)(C#CC(C)(O)CC(C)C)CC(C)C Tox21_300559 -NCGC00254626-01 196719749 tox21-ror-cho-viability-p1 set3 4 5.4482673282 31.8533505599 -15.8533505599 16 0.2 0.6751900385 0.0502082781 -12.7944588 -12.58826459 -6.25762248 -1.59264335 -12.43916098 -9.03790984 -1.96847257 -5.74545914 -2.39221144 -0.02901993 -0.88419828 -1.08135898 -0.72642479 -0.38046757 10.0428894 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 35554-44-0 37175 144211037 A A Imazalil Clc2ccc(C(OCC=C)Cn1ccnc1)c(Cl)c2 Tox21_300720 -NCGC00255089-01 196719751 tox21-ror-cho-viability-p1 set3 4 -0.16215604 -0.04008437 8.80016811 3.61855088 -0.54058963 6.51365566 12.29352163 12.40124823 14.66078222 14.8267813 6.85538607 -2.24471141 0.50643689 0.52089013 2.68614004 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 210880-92-5 213027 144211508 A A Clothianidin Clc1ncc(CN/C(=N/[N+]([O-])=O)NC)s1 Tox21_301191 -NCGC00254169-01 196720154 tox21-ror-cho-viability-p1 set3 4 26.6032120037 -19.816818048 6 -13.816818048 4.9549173134 0.3993090252 0.2722471284 0.36413349 15.9673882 5.85973327 4.61792627 4.83771441 -4.3064305 4.36495195 15.79521258 5.82057971 -2.36420289 16.37210659 5.96834808 7.42226375 1.45159751 -12.76401504 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 8018-01-7 3034368 144210633 F Mancozeb [Mn+2].[Zn+2].[S-]C(=S)NCCNC(=S)[S-].[S-]C(=S)NCCNC([S-])=S Tox21_300314 -NCGC00254704-01 196720155 tox21-ror-cho-viability-p1 set3 4 -1.97941123 1.27642448 -1.13360166 10.53909575 1.71255822 6.83717774 5.53371384 3.0046056 4.06373847 -0.15788023 3.66172074 1.18154129 0.01169694 1.59262514 4.59045831 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4940-11-8 21059 144211117 A A 2-Ethyl-3-hydroxy-4H-pyran-4-one OC1=C(CC)OC=CC1=O Tox21_300800 -NCGC00256488-01 196719355 tox21-ror-cho-viability-p1 set2 4 6.1709235 3.66618783 -0.00472495 3.47186479 2.82632955 5.95001041 1.1515929 4.22741459 3.0866219 3.43476148 4.5895997 0.18237058 2.8039648 0.09152268 3.43625855 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-68-3 6901 144213053 A Hexachloro-1,3-butadiene Cl/C(Cl)=C(\Cl)C(\Cl)=C(\Cl)Cl Tox21_302736 -NCGC00256664-01 196718923 tox21-ror-cho-viability-p1 set2 4 -0.41363543 -2.09293472 0.79575997 0.46859857 -3.91018607 -3.29171045 -3.598275 -0.23082471 1.20557187 -3.20834637 0.28537911 1.06231538 1.84169997 -0.93716367 -1.60633549 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 344-04-7 9578 144212824 Bromopentafluorobenzene Fc1c(F)c(F)c(F)c(Br)c1F Tox21_302507 -NCGC00091253-05 196718924 tox21-ror-cho-viability-p1 set2 4 2.6475087767 6.5696090159 -5.5696090159 1 0.9999999999 0.6151642597 0.0876112927 -5.61063258 -4.24659074 -6.15509885 -2.82280508 -6.12897594 -10.47467418 -4.79511022 -3.36266949 -6.70856424 0.08766553 -2.3979348 -2.40148189 0.32525916 2.19852111 0.31605926 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.000001608 0.000003595 0.000008038 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00257846-01 196730151 tox21-ror-cho-viability-p1 set3 4 0.662942866 -14.336562332 -1.5 -15.836562332 4.9549173134 0.3879054574 0.5020388163 -1.81392722 0.64107321 2.15416383 -4.20759751 -0.12350748 -2.51151279 -3.42048361 -3.2952334 -9.33321066 -31.53046861 -2.55244948 0 -8.21796749 16.20012071 17.40748721 1.1469999999E-9 2.564E-9 5.734E-9 1.282E-8 2.867E-8 6.411E-8 1.434E-7 3.206E-7 7.168E-7 0.000001603 0.000003584 0.0000080139999999 0.00001792 0.00004007 0.0000896 1330-20-7 7929 144207490 FNS Xylenes Cc1cccc(C)c1 Tox21_200292 -NCGC00257686-01 196729740 tox21-ror-cho-viability-p1 set3 4 1.32199112 -1.27260453 -0.31989995 1.13688431 -0.86162823 1.67954051 1.96063626 1.18491414 2.11849315 -0.21704475 1.79883266 0.50405005 -0.50008679 -1.29777525 -0.35417035 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.3169999999E-8 2.9459999999E-8 6.587E-8 1.4729999999E-7 3.2929999999E-7 7.364E-7 0.0000016469999999 0.0000036819999999 0.000008234 0.000018409999999 0.00004117 0.00009206 18479-58-8 29096 144207330 A A 1,1,5-Trimethyl-6-heptenol CC(C)(O)CCCC(C)C=C Tox21_200132 -NCGC00258507-01 196729742 tox21-ror-cho-viability-p1 set3 4 2.99960412 -6.59492837 -4.42356531 3.1427865 0.60173242 0 -5.96984302 0 0 0 -0.80177386 -14.34481697 -5.31473548 0.33319388 0.46674516 1.155E-9 2.583E-9 5.7769999999E-9 1.292E-8 2.8879999999E-8 6.459E-8 1.444E-7 3.229E-7 7.2209999999E-7 0.000001615 0.000003611 0.000008073 0.000018049999999 0.000040369999999 0.00009026 98-08-8 7368 144208152 FNS Benzotrifluoride FC(F)(F)c1ccccc1 Tox21_200954 -NCGC00257638-01 196730145 tox21-ror-cho-viability-p1 set3 4 -4.4982329 -3.10471518 -2.16623012 -5.22333644 -0.75700823 0.45683251 -2.85239506 -1.77961642 -4.16041255 1.13096366 1.3878796 -17.17384534 2.78353402 -12.95685236 -1.10852528 1.193E-9 2.667E-9 5.964E-9 1.3339999999E-8 2.982E-8 6.668E-8 1.491E-7 3.3339999999E-7 7.455E-7 0.0000016669999999 0.0000037269999999 0.000008335 0.00001864 0.00004167 0.00009318 69056-62-8 16218793 144207282 A A Tributylmethylphosphonium methyl sulfate C[P+](CCCC)(CCCC)CCCC.[O-]S(=O)(=O)OC Tox21_200084 -NCGC00258762-01 196730556 tox21-ror-cho-viability-p1 set3 -2.1 59.0848451277 -84.6095267305 4.1875728975 -80.421953833 2.3531167061 0.9095344565 0.0001940858 5.15248596 6.01952661 10.10976301 2.09837591 15.58429236 6.05383343 6.12202936 3.64809597 -1.43181936 1.07703147 1.23024669 -2.21459737 -10.78717906 -14.86342887 -60.66424969 1.1469999999E-9 2.566E-9 5.7369999999E-9 1.2829999999E-8 2.868E-8 6.414E-8 1.434E-7 3.2069999999E-7 7.1709999999E-7 0.000001603 0.000003585 0.000008017 0.00001793 0.00004009 0.00008964 5613-46-7 79717 144208408 A A 4,4'-Propane-2,2-diylbis(2,6-dimethylphenol) Cc1cc(cc(C)c1O)C(C)(C)c2cc(C)c(O)c(C)c2 Tox21_201210 -NCGC00258022-01 196730565 tox21-ror-cho-viability-p1 set3 4 0.98945538 0.7547157 2.18632983 1.1437075 0.62396508 3.00414655 2.95926595 0.88287862 0.38992145 6.25481126 4.44062411 0.44260976 0.13272331 0.20196834 0.55159613 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 63721-05-1 114129 144207666 BC A Methyl 3,3-dimethylpent-4-enoate CC(C)(C=C)CC(=O)OC Tox21_200468 -NCGC00257110-01 196727722 tox21-ror-cho-viability-p1 set3 4 2.90027833 0.44976211 -0.49832645 2.11145676 0.11811483 3.13966514 -1.41355224 2.64367 -0.05870982 -0.07425275 1.15193288 1.19319728 0.77594002 0.55748561 0.99981525 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 554-00-7 11123 144213523 A Ac 2,4-Dichloroaniline Clc1cc(Cl)c(N)cc1 Tox21_303206 -NCGC00257281-01 196727309 tox21-ror-cho-viability-p1 set3 4 1.29422276 1.5571283 0.84723322 -2.2329871 0.67553682 1.58551664 0.13279843 1.34443904 -12.6750367 0 0 0.47883592 -2.89149407 8.94456653 0.45780119 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7659-86-1 24309 144213795 F A 2-Ethylhexyl sulfanylacetate CCC(CCCC)COC(=O)CS Tox21_303486 -NCGC00256706-01 196727312 tox21-ror-cho-viability-p1 set3 4 0.193115248 -8.912756044 0.5 -8.412756044 4.9549173134 0.3422720951 0.3426028353 0.22368003 1.047132 -2.04742595 1.06045996 1.2583215 -0.92509896 1.73965652 -17.84396337 -16.76644832 -13.27137691 -14.78922307 -0.0867702 -0.18790719 2.36413927 2.49298256 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.593E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 38205-60-6 520888 144212884 A A 5-Acetyl-2,4-dimethylthiazole O=C(C)c1sc(C)nc1C Tox21_302567 -NCGC00257019-01 196727313 tox21-ror-cho-viability-p1 set3 4 -0.58841502 0.60448149 -0.24935559 4.90332179 3.57909327 3.92547584 6.17282162 -0.81324752 3.70617936 -19.07996058 -5.49704101 6.62931727 4.52283137 6.07165707 7.57893964 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 7790-98-9 24639 144213631 A Ammonium perchlorate [NH4+].[O-]Cl(=O)(=O)=O Tox21_303314 -NCGC00090686-07 196727723 tox21-ror-cho-viability-p1 set3 4 -3.18928926 -2.45985744 -3.1413052 -2.39671795 0.91622741 -4.640846 1.19459372 2.76964102 0.51519414 4.30356834 4.84855264 1.64861985 -1.46228744 3.66280844 1.96556803 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00256967-01 196727733 tox21-ror-cho-viability-p1 set3 4 -2.71535699 -0.18411256 -0.28012821 1.01193427 -1.25963343 -18.29376683 1.80876523 -8.76645047 -10.36645177 -6.17874712 -14.39279003 -2.87488519 0.44841665 -0.71178789 -1.79899901 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 311-45-5 9395 144213364 A A Paraoxon [O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1 Tox21_303047 -NCGC00091483-03 196705799 tox21-ror-cho-viability-p1 set1 4 -0.09302236 0.25684744 0.15709977 1.83657667 -1.70347639 -1.55220955 -3.53342432 -5.56627159 0.42881674 -1.86015564 1.26834983 -1.75216631 -7.23910894 -3.47225368 -7.46114278 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00253632-01 196705401 tox21-ror-cho-viability-p1 set1 4 -1.08147616 2.24545874 -0.045832 -2.01659188 3.13345459 2.12661381 -0.80942464 5.80477149 -0.71160172 0.70846627 2.8746502 2.11385276 2.78954932 2.31886017 5.7168161 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 171714-84-4 177236 170466416 A A Darusentan O=C(O)[C@@H](Oc1nc(cc(OC)n1)OC)C(OC)(c2ccccc2)c3ccccc3 Tox21_113760 -NCGC00258890-01 196705796 tox21-ror-cho-viability-p1 set1 4 0.6137931578 12.710497804 -8.710497804 4 0.5 0.4057101729 0.266445974 -7.6549295 -0.10956487 -14.75874817 -11.83853034 -6.94710612 1.79308741 -10.03970862 -1.3310138 -0.01038743 -0.79932139 -2.27089854 -0.55518022 8.00350955 -4.78689178 6.62671564 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004135 0.00009247 1646-88-4 9570093 144208536 A A Aldoxycarb CC(C)(/C=N/OC(=O)NC)S(C)(=O)=O Tox21_201338 -NCGC00091278-03 196705798 tox21-ror-cho-viability-p1 set1 4 0.69529269 5.57840552 -5.44362143 5.33634962 -2.83683978 1.6278923 1.1964324 7.0905152 -0.05876073 3.97752569 0.04761481 0.91792844 2.37635267 0.63436459 -3.86593355 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00016743-08 196704162 tox21-ror-cho-viability-p1 set1 4 1.05815371 -2.67895646 -0.57200736 -1.77212187 -1.25647338 1.40444821 -6.93102052 0.54526383 -0.82172626 0.40468291 -0.23527964 -2.71354852 -1.3137988 -2.0323657 1.15970634 1.1799999999E-10 2.638E-10 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 19562-30-2 4855 170466042 A Piromidic acid O=C(O)C2=CN(CC)c1nc(ncc1C2=O)N3CCCC3 Tox21_110587_1 -NCGC00260639-01 196703334 tox21-ror-cho-viability-p1 set1 4 0.58165138 -0.02879156 2.32311159 7.78448007 0.28506784 2.85493772 1.89134247 -0.5773412 -0.5528947 0.54771356 1.59635506 1.75841626 4.08220842 2.78198104 2.16861502 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49535 144210292 M M NTP Mix115 ER1 10-EQC Tox21_203094 -NCGC00260518-01 196703339 tox21-ror-cho-viability-p1 set1 4 3.76504098 1.91191452 1.44908891 0.49979224 0.2150435 -0.63160056 -1.59584345 -0.05828879 3.87786673 1.70030122 3.83929405 -1.09294284 4.68567598 4.78852361 0.90294274 1.2009999999E-9 2.6849999999E-9 6.0029999999E-9 1.3419999999E-8 3.0009999999E-8 6.711E-8 1.501E-7 3.356E-7 7.5029999999E-7 0.0000016779999999 0.0000037519999999 0.0000083889999999 0.00001876 0.00004195 0.00009379 1210-35-1 14589 144210170 A A Dibenzosuberone O=C1c3ccccc3CCc2ccccc12 Tox21_202972 -NCGC00259338-01 196703344 tox21-ror-cho-viability-p1 set1 4 27.5283213152 -10.1705958319 2 -8.1705958319 4.9549173134 0.6997236508 0.0386712481 -0.07052442 1.65789431 0.06898998 0.11510097 7.78964834 3.14551028 -0.46827728 4.89118209 1.63418176 2.4978217 2.03782364 0.35210658 1.7181014 -8.05882986 -7.12983019 1.188E-9 2.656E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.639E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.000003712 0.000008299 0.00001856 0.0000415 0.00009279 91-44-1 7050 144208987 A A 7-Diethylamino-4-methylcoumarin CCN(CC)c1ccc2c(c1)OC(=O)C=C2C Tox21_201789 -NCGC00015823-17 196705005 tox21-ror-cho-viability-p1 set1 4 1.06645259 0.28491826 0.20052203 -1.26594954 -0.94265943 0.9190028 -1.4956049 -0.52406973 -0.15715171 -0.06151426 0.91690917 -1.63716779 0.444699 2.09408887 6.25633875 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 36322-90-4 54676228 170464817 A Piroxicam OC=2c1ccccc1S(=O)(=O)N(C)C=2C(=O)Nc3ccccn3 Tox21_110231_1 -NCGC00024503-03 196705008 tox21-ror-cho-viability-p1 set1 4 0.46079847 -5.58049881 -0.17246059 0.61332985 0.65426697 0.81293815 -3.29287397 -0.1001478 1.35720505 0.26777467 0.742885 -5.05063687 -5.40324871 -3.45932645 -1.28336576 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 56-40-6 750 170466831 F Glycine NCC(=O)O Tox21_113575_1 -NCGC00262945-01 196705010 tox21-ror-cho-viability-p1 set1 4 -0.27513864 -2.13086854 -0.67076766 0.04476139 4.08074313 3.72671078 4.87726401 -0.24119372 -0.24576449 -2.279871 -0.29387253 0.11252571 0.25805234 -3.9802421 -3.41519731 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 366789-02-8 6433119 170466121 A A Rivaroxaban O=C(NCC3CN(c1ccc(cc1)N2CCOCC2=O)C(=O)O3)c4ccc(Cl)s4 Tox21_113938 -NCGC00164569-02 196705405 tox21-ror-cho-viability-p1 set1 4 -0.04691592 0.81810307 1.36907765 1.84288145 2.99788588 9.1322588 1.49502445 3.2984336 5.53888249 -0.6761128 11.18351316 4.5506881 -1.13408769 1.7998866 3.03823009 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 154361-50-9 60953 170464779 A Capecitabine O=C(OCCCCC)NC1=NC(=O)N(C=C1F)[C@@H]2O[C@H](C)[C@@H](O)[C@H]2O Tox21_112198_1 -NCGC00021925-03 196705419 tox21-ror-cho-viability-p1 set1 4 0.0053080386 7.626545472 -3.126545472 4.5 2.5334283767 0.5491264749 0.1372901807 -0.35396751 -6.35545456 -0.59578211 1.06354303 4.27133341 6.48747297 0.89628172 3.89018183 6.47329167 7.84108951 6.23884251 4.03400616 0.72762069 1.12676723 8.87088699 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52-21-1 5834 170464632 A Prednisolone acetate CC(=O)OCC(=O)[C@@]4(O)CC[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_111328_1 -NCGC00259073-01 196721867 tox21-ror-cho-viability-p1 set3 4 33.5737638053 15.916091152 -4.416091152 11.5 4.9549173134 0.7898734487 0.0098248156 -7.3855915 -2.56145189 -4.11813802 -1.12947567 -4.75891584 -11.18007596 -1.82767916 -2.43405678 -4.61462779 -3.67249874 -2.36363539 -4.92516515 -4.50457421 7.81937941 10.85991347 1.157E-9 2.5879999999E-9 5.786E-9 1.2939999999E-8 2.8929999999E-8 6.4689999999E-8 1.446E-7 3.234E-7 7.2319999999E-7 0.000001617 0.0000036159999999 0.000008086 0.000018079999999 0.00004043 0.00009041 95-65-8 7249 144208721 A A 3,4-Dimethylphenol Cc1cc(O)ccc1C Tox21_201523 -NCGC00259025-01 196722257 tox21-ror-cho-viability-p1 set3 4 -8.14321565 -5.75255618 -6.14379205 -2.4828156 -4.19210978 -6.1183347 -4.72101162 -3.64150747 -6.563657 -3.25802153 -4.83835656 -8.44057475 -6.29414318 -2.86821619 -6.59521633 1.165E-9 2.6039999999E-9 5.8229999999E-9 1.302E-8 2.911E-8 6.51E-8 1.456E-7 3.255E-7 7.2779999999E-7 0.0000016269999999 0.000003639 0.000008137 0.0000182 0.00004069 0.00009098 626-17-5 12276 144208672 A A 1,3-Benzenedicarbonitrile N#Cc1cccc(C#N)c1 Tox21_201474 -NCGC00259265-01 196722265 tox21-ror-cho-viability-p1 set3 4 -4.45525106 -3.48922914 -1.98109511 5.22818545 -7.33692579 -8.22565138 -7.16006597 -13.29333623 -8.31309146 -3.58409341 -6.73201874 -6.27615115 -3.20986004 -0.17451592 -3.73029844 1.1609999999E-9 2.5969999999E-9 5.8069999999E-9 1.299E-8 2.9039999999E-8 6.493E-8 1.4519999999E-7 3.246E-7 7.259E-7 0.000001623 0.000003629 0.000008116 0.000018149999999 0.000040579999999 0.000090739999999 98-92-0 936 144208914 A A Niacinamide NC(=O)c1cccnc1 Tox21_201716 -NCGC00259661-01 196722273 tox21-ror-cho-viability-p1 set3 4 -12.00084118 -3.23820151 -7.66335632 -3.84418104 -4.35370545 -4.10402571 -9.35628865 -3.73221261 -4.82271731 -3.43274363 -4.92032615 -14.29164265 -4.41089479 -3.98871355 -3.93216404 1.1859999999E-9 2.6519999999E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001853 0.000041439999999 0.000092669999999 96-09-3 7276 144209310 B F Styrene oxide c1ccccc1C2CO2 Tox21_202112 -NCGC00259755-01 196722275 tox21-ror-cho-viability-p1 set3 4 10.6279688122 9.6898375239 -7.6898375239 2 2.3331733767 0.5273232354 0.1550610704 -7.49813781 -6.49590434 -12.2476334 -0.51295636 -7.483029 -6.17940903 -6.51379401 -7.2975867 -15.99153127 -6.96810099 -4.54183509 -5.66612309 1.72807537 -0.2424355 2.56776071 1.158E-9 2.589E-9 5.79E-9 1.2949999999E-8 2.8949999999E-8 6.473E-8 1.447E-7 3.2369999999E-7 7.237E-7 0.000001618 0.000003619 0.000008091 0.000018089999999 0.00004046 0.000090469999999 822-06-0 13192 144209404 FC 1,6-Diisocyanatohexane O=C=N/CCCCCC\N=C=O Tox21_202206 -NCGC00017112-10 196723086 tox21-ror-cho-viability-p1 set3 -3 29.8492948118 -67.3358645259 0.8644018979 -66.471462628 4.9549173134 0.7532598619 0.018466015 -0.6335414 9.24986034 -3.02778355 16.79642883 -2.47399546 0 -6.26461436 13.21955944 -11.51834156 12.38958738 -13.75056233 1.21823422 -6.28807 -6.86262709 -59.55955219 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 41621-49-2 38911 170464708 D Ciclopirox CC=2C=C(C1CCCCC1)N(O)C(=O)C=2.NCCO Tox21_110781_1 -NCGC00090757-06 196723099 tox21-ror-cho-viability-p1 set3 -1.2 10.5909294584 -51.915303755 -5.676817051 -57.592120806 3.5117481694 0.8260589251 0.0043612966 -15.34837429 -1.43688634 -24.27732844 -19.61345138 0 -0.89988183 -1.04325833 0 -3.64443246 4.27546606 1.99630612 -6.31963295 -26.99232919 -52.65885544 -57.49270445 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 148-82-3 460612 170464727 A Melphalan O=C(O)[C@@H](N)Cc1ccc(cc1)N(CCCl)CCCl Tox21_111010_1 -NCGC00091499-05 196723499 tox21-ror-cho-viability-p1 set3 4 0.0038570779 -16.446909944 15 -1.446909944 0.5 0.753897797 0.0242148152 11.49765306 6.102053 3.51890967 6.66194658 2.40112819 0.95454136 -0.17113295 2.19281316 -0.19437376 -2.21803916 3.14524305 0.4395243 -3.05718997 -3.28909162 9.17216501 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00090874-04 196723498 tox21-ror-cho-viability-p1 set3 4 -1.52738714 -0.90851155 0.00363991 -4.97558638 -1.11846432 -2.58988917 0 0 -4.34684571 -0.68440742 2.51256333 -2.1775955 -6.02445129 -1.91239858 0.36478821 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00259117-01 196721887 tox21-ror-cho-viability-p1 set3 -1.2 2.7667411695 -41.6838601042 -6.499753031 -48.1836131352 1.4641 0.9593800543 0.0000026693 -11.23147706 -1.92293233 -3.64880854 -4.39244763 -4.33272164 -14.75153836 -7.58525569 -10.3652905 -7.87839744 -21.72609418 -30.62910293 -45.26990257 -43.15605818 -48.84527468 -46.28702945 1.193E-9 2.667E-9 5.963E-9 1.333E-8 2.982E-8 6.6669999999E-8 1.491E-7 3.3339999999E-7 7.4539999999E-7 0.0000016669999999 0.0000037269999999 0.0000083339999999 0.00001864 0.00004167 0.00009318 97-86-9 7352 144208766 AC Isobutyl methacrylate CC(=C)C(=O)OCC(C)C Tox21_201568 -NCGC00259510-01 196721497 tox21-ror-cho-viability-p1 set3 4 0.016966455 11.5612025159 -9.5612025159 2 4.9549173134 0.8420533272 0.002869133 -10.17936425 -13.38433543 -3.7764007 -7.80362732 2.92498754 1.04502489 0.68689163 2.26857762 -0.18893402 2.39752079 4.11891283 1.98341222 2.65641279 3.41994162 2.66152465 1.165E-9 2.6039999999E-9 5.8229999999E-9 1.302E-8 2.912E-8 6.51E-8 1.456E-7 3.255E-7 7.2789999999E-7 0.000001628 0.000003639 0.0000081379999999 0.0000182 0.00004069 0.00009099 131-17-9 8560 144209159 A A Diallyl phthalate O=C(OCC=C)c1ccccc1C(=O)OCC=C Tox21_201961 -NCGC00258878-01 196721499 tox21-ror-cho-viability-p1 set3 4 24.5842154718 10.676257004 -4.676257004 6 4.9549173134 0.4126779932 0.2599747236 -5.23907045 -13.48021417 1.68329547 2.65007853 -3.87951007 -10.62773515 -8.90773659 -1.99517505 -7.92539038 -2.17587685 -1.40619467 -6.46534289 -4.4280528 8.30689922 3.84564934 1.19E-9 2.661E-9 5.951E-9 1.331E-8 2.976E-8 6.654E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.000003719 0.000008317 0.0000186 0.00004158 0.000092989999999 7775-27-1 62655 144208524 Sodium persulfate [Na+].[Na+].O=S(=O)([O-])OOS([O-])(=O)=O Tox21_201326 -NCGC00254657-01 196720614 tox21-ror-cho-viability-p1 set3 4 0.0166831069 10.59159236 -12.59159236 -2 0.9999999999 0.6799112082 0.0479478251 -8.46251171 -13.4096603 -12.86306136 -12.22963184 -6.68926078 -0.23293549 -7.30417008 -2.72017933 -6.41979237 -2.95533019 0.20560223 -0.1107284 0.64428592 -0.46856379 -4.72141885 5.869E-10 1.312E-9 2.935E-9 6.5619999999E-9 1.467E-8 3.281E-8 7.3359999999E-8 1.64E-7 3.668E-7 8.202E-7 0.000001834 0.000004101 0.0000091709999999 0.00002051 0.000045849999999 41198-08-7 38779 144211069 Ac Ac Profenofos Brc1cc(Cl)c(OP(=O)(OCC)SCCC)cc1 Tox21_300752 -NCGC00257523-01 196720193 tox21-ror-cho-viability-p1 set3 4 7.6958821542 -19.54147116 11.5 -8.04147116 0.7999999999 0.6909422114 0.0516934305 13.98089278 10.17766772 14.53434003 11.04777083 13.59791641 10.66653846 0 14.29066458 8.17940924 6.72215365 7.55831041 0.79307271 -1.24293796 -5.0345593 2.38486432 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25168-05-2 7931 144211239 FNS Chlorotoluene Cc1cc(Cl)ccc1 Tox21_300922 -NCGC00254284-01 196720597 tox21-ror-cho-viability-p1 set3 4 -5.96563721 -12.25478675 1.63603244 2.16171963 -5.09967186 -3.332195 -4.81491608 2.08263006 -5.75848996 -0.24889683 -4.7696702 -6.14686075 -5.60180098 2.73140168 -1.00936548 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1843-05-6 15797 144210802 A A Octabenzone O=C(c1ccc(cc1O)OCCCCCCCC)c2ccccc2 Tox21_300484 -NCGC00254185-01 196720611 tox21-ror-cho-viability-p1 set3 -3 61.130564862 -59.6731104944 2.5032752494 -57.169835245 3.2474983358 0.7724027813 0.013460345 1.80177428 -8.07285101 3.84134116 -1.00167919 6.57603401 1.94888707 6.91383822 -6.47611139 11.83418576 -6.30168814 14.78750689 8.595503 -4.75094536 -8.99566915 -45.14698812 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-95-4 7271 144210506 A A 2,4,5-Trichlorophenol Oc1cc(Cl)c(Cl)cc1Cl Tox21_300186 -NCGC00168342-02 196721003 tox21-ror-cho-viability-p1 set3 4 -9.74976303 -3.10078314 -10.45840862 -7.26789119 2.25351402 -1.93259555 -1.53459698 -1.37136835 -0.87207143 0.1028275 -1.74090235 -17.64852686 -0.02019254 -0.04560834 -8.29560733 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00090952-07 196721010 tox21-ror-cho-viability-p1 set3 4 -2.60949077 -6.49487378 2.88177405 7.29213932 0.62449005 -5.96476406 -1.6316649 -2.25144163 -4.06268395 -0.55178302 -4.78985041 -3.11878941 -4.49651769 0.51704801 4.08120057 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00259156-01 196721011 tox21-ror-cho-viability-p1 set3 4 -0.50941295 -10.31144167 -15.24033871 -0.4109336 -7.09495692 5.13717155 -0.18840613 2.59894589 -3.18795278 0.60018555 -12.82386707 -10.32071158 -6.01267493 -3.19733487 1.81322656 1.189E-9 2.658E-9 5.9439999999E-9 1.3289999999E-8 2.9719999999E-8 6.6449999999E-8 1.486E-7 3.323E-7 7.4299999999E-7 0.0000016609999999 0.0000037149999999 0.000008307 0.00001857 0.00004153 0.00009287 52-68-6 5853 144208805 A A Trichlorfon OC(C(Cl)(Cl)Cl)P(=O)(OC)OC Tox21_201607 -NCGC00259787-01 196721016 tox21-ror-cho-viability-p1 set3 4 -5.80013753 -1.35691701 -3.8641456 2.11002397 0.97300748 -6.25445141 -9.57266908 -10.37933451 -6.47188888 -2.87705667 -1.48519514 -3.77973329 -7.4174626 -2.12435967 0.74134205 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.0000036909999999 0.000008252 0.000018449999999 0.000041259999999 0.00009226 109-16-0 7979 144209436 A A Triethylene glycol dimethacrylate O=C(OCCOCCOCCOC(=O)C(=C)C)C(=C)C Tox21_202238 -NCGC00259372-01 196721019 tox21-ror-cho-viability-p1 set3 4 -4.98345467 -4.19502896 -4.91237531 -5.92903726 -6.51780831 -1.30301952 -3.12758809 -3.72097255 -1.80707995 -5.45859583 -5.21246055 -6.82706178 -3.02355248 -5.41920858 -4.8949883 1.193E-9 2.6679999999E-9 5.9659999999E-9 1.3339999999E-8 2.9829999999E-8 6.671E-8 1.4919999999E-7 3.335E-7 7.458E-7 0.000001668 0.0000037289999999 0.0000083379999999 0.00001865 0.000041689999999 0.00009323 89-78-1 16666 144209021 B B dl-Menthol CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O Tox21_201823 -NCGC00092376-06 196717678 tox21-ror-cho-viability-p1 set2 -2.2 14.9600854925 -33.9409364761 -2.6304668199 -36.571403296 1.0999999999 0.9419557995 0.0000189748 -1.43743737 -1.83749386 -5.11801785 -5.62548849 -0.10872235 -1.28127669 -1.92900862 -4.59588682 -0.35069787 -2.89750891 -6.43081338 -11.00991934 -14.47172872 -19.31157032 -32.14283608 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 78416-81-6 3060974 170466118 A Trequinsin hydrochloride Cl.Cc4cc(C)cc(C)c4\N=C2/C=C1c3cc(OC)c(OC)cc3CCN1C(=O)N2C Tox21_111279_1 -NCGC00024595-08 196716857 tox21-ror-cho-viability-p1 set2 4 5.9557173066 15.19356088 -2.19356088 13 4.9549173134 0.8652907593 0.002218701 -0.90322308 -2.90157121 -3.34733796 -4.3279674 -3.6445919 -4.07486085 1.32993627 -3.54292512 -1.40165579 0.31536912 1.56513055 -1.59044266 12.54137104 12.04267832 3.57215364 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77-23-6 2562 170465562 A Carbetapentane CCN(CC)CCOCCOC(=O)C1(CCCC1)c2ccccc2 Tox21_110909_1 -NCGC00263442-01 196716864 tox21-ror-cho-viability-p1 set2 4 2.1131682429 -14.088937884 1 -13.088937884 1.826479391 0.8675072254 0.0012727288 0.62190001 1.7994903 0.13743377 4.8068254 2.92880295 1.12402416 1.56666672 -5.76387709 0.92082357 0.55841551 -5.16860429 -10.7429569 -11.40636316 -11.30141341 -14.24078157 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 154-42-7 2723601 170464908 A 6-Thioguanine NC2=Nc1ncnc1C(=S)N2 Tox21_111035_1 -NCGC00253659-01 196717677 tox21-ror-cho-viability-p1 set2 4 3.75311339 4.83540078 -0.23438468 0.10285261 -1.88998582 -1.8289546 7.18229515 -2.61068848 1.58174221 3.56434443 -0.43853485 0.85046144 2.38545396 -1.20505264 1.7398785 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84449-80-9 5743835 170466710 A A 4-(2-Piperidinoethoxy)benzoic acid hydrochloride(1:1) Cl.O=C(O)c2ccc(OCCN1CCCCC1)cc2 Tox21_113785 -NCGC00258114-01 196729382 tox21-ror-cho-viability-p1 set3 4 58.0355536904 -21.29007134 -2 -23.29007134 3.1319983358 0.6856831659 0.0450169343 -1.72853098 -6.41249489 0.05804077 -0.46032486 0.20955045 -5.91534805 -0.98604302 -7.38288982 -6.47179296 0.15946941 0.61248468 0.23578162 0.18300477 -7.19483544 -18.57505945 1.1299999999E-9 2.5259999999E-9 5.649E-9 1.263E-8 2.8249999999E-8 6.3159999999E-8 1.412E-7 3.158E-7 7.0609999999E-7 0.0000015789999999 0.000003531 0.000007895 0.00001765 0.00003947 0.00008827 85-19-8 6799 144207758 A A (5-Chloro-2-hydroxyphenyl)phenylmethanone Oc2ccc(Cl)cc2C(=O)c1ccccc1 Tox21_200560 -NCGC00255483-01 196728572 tox21-ror-cho-viability-p1 set3 4 -1.98966815 3.87486468 2.36809637 -6.42978861 -0.13351086 3.0029928 -1.42640403 -2.11329571 1.11708749 -1.49636688 1.28070495 -7.6953552 -1.16145779 -1.23336328 -0.38619665 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19719-28-9 88209 144212249 A A 2,4-Dichlorophenylacetic acid Clc1cc(Cl)ccc1CC(=O)O Tox21_301932 -NCGC00256311-01 196728988 tox21-ror-cho-viability-p1 set3 4 0.0030637859 21.536808684 -7.536808684 14 0.8999999999 0.6428341976 0.0805579097 -2.94734057 2.68425142 9.06756362 7.9035527 9.67695084 15.82358443 14.50311296 9.73219871 7.33907679 11.89877601 12.32301807 22.19267623 18.37419903 11.96701352 -1.92838469 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94317-64-3 93502 144212332 A A N-Butylphosphorothioic triamide CCCCNP(N)(N)=S Tox21_302015 -NCGC00255948-01 196728990 tox21-ror-cho-viability-p1 set3 4 -0.03554561 -2.08243247 -0.46628475 0.76816517 -10.90371169 -9.50942894 1.05786626 -9.86266952 4.56583024 6.13297275 -8.14371882 -6.34612957 -1.22166156 9.01144566 -6.38371079 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3026-63-9 23668353 144212418 A Sodium tridecyl sulfate [Na+].[O-]S(=O)(=O)OCCCCCCCCCCCCC Tox21_302101 -NCGC00258142-01 196729387 tox21-ror-cho-viability-p1 set3 4 0.4890360363 -4.0225576039 1 -3.0225576039 4.9549173134 0.34172023 0.3462322237 3.74726452 2.44896753 -1.42871611 1.61044737 1.26645405 -0.86263219 0.28930107 2.02586137 -3.666053 -0.15712546 -10.43546467 -2.53443308 -1.12931365 0.65263368 1.3940442 1.187E-9 2.6549999999E-9 5.936E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.3189999999E-7 7.42E-7 0.000001659 0.0000037099999999 0.0000082959999999 0.00001855 0.000041479999999 0.00009276 174501-64-5 2734174 144207786 A A 1-Butyl-3-methylimidazolium hexafluorophosphate CCCCn1cc[n+](C)c1.F[P-](F)(F)(F)(F)F Tox21_200588 -NCGC00091657-02 196729391 tox21-ror-cho-viability-p1 set3 4 10.8707224818 10.7361395999 -0.7361395999 10 2.7202212143 0.7112662131 0.0418242197 -1.04618556 -1.33075935 -1.43728714 0.26501735 -0.94594352 0.00122682 -0.94524852 -0.79538198 -1.446783 -1.19821345 1.84645625 -0.67865106 13.43973895 5.88895447 0.65325823 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00260114-01 196724485 tox21-ror-cho-viability-p1 set3 4 0.0017492081 10.708279132 -10.208279132 0.5 1.713743691 0.4151525331 0.2605228163 -6.84023261 -2.14176285 -1.31810746 0.23333381 -1.64337548 2.97631497 0.02499854 3.95838319 3.31259114 -2.09275664 4.31632303 -1.55250872 1.54304224 -4.20285174 0.64559874 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.6799999999E-8 1.494E-7 3.34E-7 7.468E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004175 0.000093349999999 5165-97-9 23665719 144209763 F 2-Acrylamido-2-methylpropanesulphonate sodium salt [Na+].[O-]S(=O)(=O)CC(C)(C)NC(=O)C=C Tox21_202565 -NCGC00260185-01 196724473 tox21-ror-cho-viability-p1 set3 4 0.0173867426 4.493294832 -1.493294832 3 4.9549173134 0.4177234847 0.2580536043 -3.74441236 1.37157807 -0.75442642 -2.05836358 5.43551808 2.20752211 0.81973601 2.04373417 2.50999495 3.74694314 4.60710033 5.21469155 0.92835184 -0.03497341 8.34639945 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.971E-8 6.6439999999E-8 1.486E-7 3.3219999999E-7 7.428E-7 0.0000016609999999 0.000003714 0.000008305 0.00001857 0.00004152 0.00009285 174899-72-0 16210995 144209835 A Ac 1-Ethyl-2,3-dimethylimidazolium trifluoromethanesulfonate C[n+]1ccn(CC)c1C.FC(F)(F)S([O-])(=O)=O Tox21_202637 -NCGC00356988-01 196724482 tox21-ror-cho-viability-p1 set3 4 2.1689942904 7.7876013279 -2.7876013279 5 0.5 0.3763502147 0.2965255061 -1.22355849 -3.97666153 -3.86433135 -1.22156864 1.62183729 -8.15633444 5.00740589 -1.88001855 -3.0959793 2.84511448 2.66196044 0.02910886 3.67303085 5.21901841 2.69985937 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 832-69-9 13257 251919688 A 1-Methyl phenanthrene Cc3cccc2c3ccc1ccccc12 Tox21_303752 -NCGC00260629-01 196724484 tox21-ror-cho-viability-p1 set3 4 0.0047307944 9.7208793079 -7.7208793079 2 2.3331733767 0.4973258725 0.1813299306 0.09739521 -12.68406609 -10.41147043 5.15277837 -2.14207144 0.48332988 1.99823971 3.06111492 2.34243688 1.12881738 3.44771438 1.21517161 1.8183212 1.23828765 5.37362477 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49525 144210282 M M NTP Mix105 ER1 10-EQC Tox21_203084 -NCGC00260366-01 196724879 tox21-ror-cho-viability-p1 set3 -3 69.5673070586 -42.9437659415 -0.895808221 -43.8395741625 4.9549173134 0.8528425957 0.0020640974 -7.20522895 0.24166016 2.09076095 -1.03272226 -1.17180794 -6.25838077 -4.16250919 1.83757867 0.52204592 -3.12354004 -3.1154428 1.17573685 8.0066905 -2.48494417 -35.95139171 1.194E-9 2.6689999999E-9 5.969E-9 1.335E-8 2.9839999999E-8 6.6729999999E-8 1.4919999999E-7 3.337E-7 7.4609999999E-7 0.000001668 0.00000373 0.0000083409999999 0.00001865 0.00004171 0.00009326 2973-80-0 387179 144210018 Ac Ac Benzaldehyde,2-bromo-5-hydroxy- O=Cc1cc(O)ccc1Br Tox21_202820 -NCGC00091483-03 196724892 tox21-ror-cho-viability-p1 set3 4 -5.94701568 -1.9333983 -1.02667722 -2.65621122 -3.28060564 -4.71279291 -3.47693824 -0.81741788 2.96755319 2.65849805 2.43230201 -0.09205083 -2.63426314 -2.43945071 -4.79162412 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00258736-01 196702541 tox21-ror-cho-viability-p1 set1 4 3.30794876 2.54994053 0.48917656 5.28920277 -8.05001106 1.44668712 6.70707047 4.84410721 4.50791538 2.21381088 2.74067523 -0.64568361 2.76912901 2.79076902 5.09024933 1.152E-9 2.5769999999E-9 5.7609999999E-9 1.288E-8 2.8809999999E-8 6.442E-8 1.44E-7 3.221E-7 7.2019999999E-7 0.00000161 0.000003601 0.0000080519999999 0.000018 0.00004026 0.00009002 1634-04-4 15413 144208382 FNS Methyl tert-butyl ether CC(C)(C)OC Tox21_201184 -NCGC00259534-01 196706663 tox21-ror-cho-viability-p1 set1 4 8.96761947 7.68991035 0.66305822 1.52292206 2.0759602 -1.40146255 -1.03885784 1.91933832 2.33092232 13.54940422 2.41985389 -1.23310527 0.71758422 -1.19659824 -0.13389954 1.164E-9 2.6039999999E-9 5.822E-9 1.302E-8 2.911E-8 6.509E-8 1.4549999999E-7 3.255E-7 7.2769999999E-7 0.0000016269999999 0.000003639 0.000008136 0.00001819 0.00004068 0.000090969999999 131-57-7 4632 144209183 A A 2-Hydroxy-4-methoxybenzophenone O=C(c1ccc(cc1O)OC)c2ccccc2 Tox21_201985 -NCGC00259053-01 196706664 tox21-ror-cho-viability-p1 set1 4 5.72953351 5.9167672 -4.10590462 0.54699911 -3.39646686 -0.48315682 -2.35158804 -1.83053159 3.62309855 10.2551237 0.0606887 0.29036415 4.65094759 5.6983764 0.02321039 1.162E-9 2.598E-9 5.8089999999E-9 1.299E-8 2.905E-8 6.495E-8 1.4519999999E-7 3.247E-7 7.2619999999E-7 0.000001624 0.0000036309999999 0.000008119 0.000018149999999 0.00004059 0.000090769999999 122-57-6 15909 144208700 A A Methyl styryl ketone CC(=O)C=Cc1ccccc1 Tox21_201502 -NCGC00259115-01 196706672 tox21-ror-cho-viability-p1 set1 4 2.4584215472 9.4215489239 -10.9963397559 -1.574790832 4.9549173134 0.7398405825 0.0228130057 -10.7140058 -6.40577266 -11.77164315 -15.40258788 -15.83028313 -9.37861662 -8.95632133 -9.12688319 -8.11796575 -11.75920192 -0.47899236 -2.06045778 -2.22813917 -2.86026131 -0.67715883 1.19E-9 2.6619999999E-9 5.9519999999E-9 1.331E-8 2.976E-8 6.654E-8 1.4879999999E-7 3.3269999999E-7 7.44E-7 0.0000016639999999 0.00000372 0.0000083179999999 0.0000186 0.00004159 0.000093 120-14-9 8419 144208764 A A Veratraldehyde COc1cc(ccc1OC)C=O Tox21_201566 -NCGC00258161-01 196702530 tox21-ror-cho-viability-p1 set1 4 -0.56381638 -0.01250893 0.01931627 3.37263443 -2.9991685 10.24370475 6.48906011 2.9372617 3.09169674 2.83080877 0.45315903 4.69818241 1.0882161 3.83025321 3.33536578 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.397E-7 0.0000016539999999 0.0000036989999999 0.0000082699999999 0.000018489999999 0.00004135 0.00009247 350493-08-2 11212667 144207805 A A 1-Butyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide CCCCn1cc[n+](C)c1C.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F Tox21_200607 -NCGC00258377-01 196702536 tox21-ror-cho-viability-p1 set1 4 2.65053622 -0.42222576 0.47597562 0.08940707 0.33731948 4.36238788 7.64527182 2.54505252 0.90561108 0.82115611 1.73055636 -1.63600411 5.29719458 -0.40435306 1.30650128 1.162E-9 2.599E-9 5.811E-9 1.299E-8 2.9059999999E-8 6.4969999999E-8 1.453E-7 3.249E-7 7.264E-7 0.000001624 0.000003632 0.000008122 0.00001816 0.00004061 0.0000908 90-13-1 7003 144208021 A Ac 1-Chloronaphthalene Clc2cccc1ccccc12 Tox21_200823 -NCGC00258128-01 196702539 tox21-ror-cho-viability-p1 set1 4 61.3171122755 8.408165036 0.591834964 9 0.7999999999 0.4375653396 0.2419322339 -0.04776898 -0.29079388 0.08366218 1.19631192 1.94433801 0.72797764 3.60192331 -4.09013753 0.44541385 2.24046102 2.84305023 0.96950029 4.13855612 2.53225699 6.27380003 1.183E-9 2.645E-9 5.913E-9 1.322E-8 2.9569999999E-8 6.611E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.0000082639999999 0.00001848 0.00004132 0.0000924 14639-25-9 151932 144207772 FNS Chromium picolinate [Cr+3].[O-]C(=O)c1ccccn1.[O-]C(=O)c1ccccn1.[O-]C(=O)c1ccccn1 Tox21_200574 -NCGC00260015-01 196702948 tox21-ror-cho-viability-p1 set1 4 1.66523719 5.421918132 -3.421918132 2 1.372261 0.5976992104 0.1006343295 -4.62312473 -1.4155244 -5.11089531 -1.52027752 -3.44249829 0.40823009 -7.01826511 -2.77667464 -1.75772001 -0.06966627 -0.20969986 1.73568963 2.20702371 0.08511112 3.57478292 1.1469999999E-9 2.564E-9 5.734E-9 1.282E-8 2.867E-8 6.411E-8 1.434E-7 3.205E-7 7.168E-7 0.000001603 0.000003584 0.0000080139999999 0.00001792 0.00004007 0.00008959 107-06-2 11 144209664 Fns 1,2-Dichloroethane ClCCCl Tox21_202466 -NCGC00357158-01 196702949 tox21-ror-cho-viability-p1 set1 4 1.25206356 9.87555903 2.25404693 3.15270102 0.83385245 1.34909474 2.27881744 10.12655239 3.07610523 0.79435677 1.99222646 7.08916713 6.46503393 7.53246484 9.63158765 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2114-11-6 16454 251919885 A Allyl carbamate NC(=O)OCC=C Tox21_303906 -NCGC00168342-02 196702951 tox21-ror-cho-viability-p1 set1 4 19.2132890434 -13.826219112 1.5 -12.326219112 3.5117481694 0.6922622982 0.041791594 0.63489229 1.46385154 7.08355583 1.4577205 -6.20565459 -0.48868817 0.61275244 -0.27519676 3.0983858 0.08020251 6.16008952 3.05282775 -5.87652721 -9.10495475 -14.02184926 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00090987-03 196702955 tox21-ror-cho-viability-p1 set1 4 86.3492179916 -11.442739196 -1.5 -12.942739196 0.8999999999 0.5768623139 0.1175541927 -1.4348863 -2.27190433 -2.13259282 -2.57019126 -0.78233674 -0.38051969 -2.22678546 1.68471265 -1.3970114 -3.37426334 -2.86578146 -1.97785708 -5.83363471 -2.22532057 -9.11894933 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00260601-01 196703351 tox21-ror-cho-viability-p1 set1 4 -0.31701487 -1.77577894 -1.84276913 -18.19396481 3.75832237 -2.15390374 0.01941392 -1.35614109 -0.03593568 -1.50959176 2.03895705 -0.94851337 -1.60868888 3.03012076 1.93817745 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49497 144210254 M M NTP Mix4 AR1 8-EQC Tox21_203056 -NCGC00260576-01 196703352 tox21-ror-cho-viability-p1 set1 4 -7.81765385 -2.80486467 -5.4619815 -2.4362583 -6.81381586 -15.16773706 -6.78668764 -2.56684428 -7.41822511 -6.34765751 -11.03671288 -8.80706493 -4.51675926 -2.2194004 0.39068491 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49472 144210229 M M NTP Mix53 CT1 3-EQP Tox21_203031 -NCGC00262943-01 196697768 tox21-ror-cho-viability-p1 set1 4 3.45398593 1.93581745 4.89794717 2.65093958 5.17236571 2.12005927 1.92355153 -2.97491759 1.83572223 1.51225331 3.09066571 3.39637065 1.81448462 3.15887495 0.77948717 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5634-42-4 21853 170466061 A I Tocanfil CC1(CCC(C(=O)O)C1(C)C)C(=O)OC(C)c2ccc(C)cc2.OCCNCCO Tox21_113936 -NCGC00159456-11 196697769 tox21-ror-cho-viability-p1 set1 4 1.14950118 3.99631039 1.32068593 -0.2735278 3.84827891 -3.89174642 0.63935793 0.67438014 1.01792728 1.86366697 1.21921442 -0.1275944 1.0440159 0.25684675 0.68939772 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 220127-57-1 123596 170465393 A Imatinib CS(=O)(=O)O.Cc3ccc(cc3Nc1nc(ccn1)c2cccnc2)NC(=O)c4ccc(cc4)CN5CCN(C)CC5 Tox21_111684_1 -NCGC00091210-02 196697781 tox21-ror-cho-viability-p1 set1 4 0.3840235 -1.81553265 0.15019405 2.03269823 -3.24453325 2.81331559 0.356288 2.47348498 2.23602126 0.75169595 0.44128572 2.00171388 -3.92297236 2.2709712 -0.44818546 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00159515-03 196722695 tox21-ror-cho-viability-p1 set3 4 0.0035413706 32.24371767 29.20078802 29.34893333 38.36904625 6.59194922 29.06028919 37.14744741 28.89789082 0.15943065 -1.54701245 -9.98819156 -8.96855081 -7.67000365 -2.39091148 2.78194147 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 138729-47-2 969472 170465445 A Eszopiclone CN1CCN(CC1)C(=O)O[C@H]4c2nccnc2C(=O)N4c3ccc(Cl)cn3 Tox21_111733_1 -NCGC00259789-01 196722297 tox21-ror-cho-viability-p1 set3 4 -13.01656208 -4.65781438 -6.37702691 4.30660445 -0.58428035 -10.08679673 -10.66323824 -10.85501449 -6.31469599 -4.66734614 -8.72326847 -5.95754049 -2.41098898 -0.22190912 0.00910591 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.000092909999999 86386-73-4 3365 144209438 A A Fluconazole OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F Tox21_202240 -NCGC00259056-01 196722298 tox21-ror-cho-viability-p1 set3 4 0.0067336006 6.876954396 -6.876954396 0 4.9549173134 0.3378944665 0.3330731046 -6.20162625 -6.98079533 -4.84825679 4.70282922 1.52989393 0.47847757 -5.06534792 -2.29169578 -6.74575486 1.94106604 -3.28756089 -2.90779862 1.93809435 3.28690903 4.22218801 1.162E-9 2.598E-9 5.8089999999E-9 1.299E-8 2.9039999999E-8 6.494E-8 1.4519999999E-7 3.247E-7 7.2609999999E-7 0.000001624 0.0000036299999999 0.000008118 0.000018149999999 0.00004059 0.00009076 106-87-6 7833 144208703 A F 4-Vinyl-1-cyclohexene dioxide O1CC1C2CC3OC3CC2 Tox21_201505 -NCGC00021125-03 196722693 tox21-ror-cho-viability-p1 set3 4 0.6682424727 6.6647988 1.3352012 8 4.9549173134 0.467089962 0.2091002027 5.59679489 1.45114509 -0.03299374 -1.803999 0.93952679 0.89072232 2.67435022 1.3264144 -0.04326493 6.3782421 15.09108933 1.87836656 6.85009663 3.04492114 13.08413693 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15307-79-6 5018304 170464642 A Diclofenac sodium [Na+].Clc2cccc(Cl)c2Nc1ccccc1CC([O-])=O Tox21_110770_1 -NCGC00167442-03 196722698 tox21-ror-cho-viability-p1 set3 4 0.2371013766 -5.1869802359 -0.5 -5.6869802359 4.9549173134 0.3583562428 0.329374684 -1.24914867 -7.12630252 -1.00647183 0.76553175 -0.42191459 0.57447328 2.30992121 1.34074736 -10.57248353 -0.76037007 -1.6355644 -8.14905743 -8.60943348 -4.65119675 4.71544692 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 106463-17-6 5362376 170464826 A Tamsulosin hydrochloride Cl.O=S(N)(=O)c1cc(ccc1OC)C[C@@H](C)NCCOc2ccccc2OCC Tox21_112446_1 -NCGC00164525-02 196722699 tox21-ror-cho-viability-p1 set3 4 3.3491459627 -10.586582256 2.5 -8.086582256 0.6999999999 0.5271373005 0.172254417 -0.62250643 -1.59306517 3.78496486 8.83253943 0.48252638 5.02361129 3.16555633 0.74070608 -2.12032879 -0.67336758 -0.91032735 -1.22866003 -6.32215188 -5.47877763 10.75280599 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 140608-64-6 170465762 F Muromonab-CD3 Tox21_112156_1 -NCGC00016878-04 196722707 tox21-ror-cho-viability-p1 set3 4 0.0007497804 14.024361992 -14.524361992 -0.5 4.9549173134 0.3773418476 0.2948326803 -11.27030166 -0.46689376 4.20728716 1.77522626 -2.33012537 0 -6.5695934 0 0.09652378 -3.18557714 4.17327927 -3.4344732 -6.0022728 -3.02467245 4.70339631 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55837-27-9 4849 170465869 A Piretanide O=C(O)c2cc(c(Oc1ccccc1)c(c2)N3CCCC3)S(N)(=O)=O Tox21_110661_1 -NCGC00167448-02 196722713 tox21-ror-cho-viability-p1 set3 4 0.1883363179 -4.3017522079 -0.5 -4.8017522079 4.9549173134 0.3617490344 0.3271539873 -0.99280267 -2.22041325 1.35280027 -0.06460663 -1.14956483 -0.29605561 -1.2628424 -0.49162655 -10.66812684 -1.03134697 -4.21308048 -0.56929673 -9.92809037 -3.32757929 7.29671489 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 41826-92-0 5536 170465772 A Trepibutone CCOc1cc(OCC)c(cc1OCC)C(=O)CCC(=O)O Tox21_112452_1 -NCGC00179248-03 196723115 tox21-ror-cho-viability-p1 set3 4 2.15899291 -3.19593507 0.36326556 4.34553257 5.80366183 4.64248939 0.05412853 2.50409766 5.85417255 6.7060113 -1.88114541 -5.04789766 2.62642957 3.45945077 8.82408626 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23964-57-0 32169 170464825 A Articaine hydrochloride Cl.O=C(Nc1c(scc1C)C(=O)OC)C(C)NCCC Tox21_110609_1 -NCGC00091051-04 196722631 tox21-ror-cho-viability-p1 set3 4 0.2371013766 13.8821671761 0.1178328239 14 4.9549173134 0.8702271763 0.0018783178 -0.18994745 0 -1.15180598 0.60002912 4.05707706 0.42361328 -0.49886187 -0.81303934 14.874847 12.81602896 17.15434932 14.49844674 7.37699457 16.13872878 3.68165871 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 150-13-0 978 170466660 A 4-Aminobenzoic acid OC(=O)c1ccc(N)cc1 Tox21_111069_1 -NCGC00259100-01 196722217 tox21-ror-cho-viability-p1 set3 4 15.4021622344 12.3448465599 -5.8448465599 6.5 4.9549173134 0.7241447403 0.0283125148 -7.02846193 -4.68798579 -6.22625147 -4.78093412 -6.91859132 -7.18107046 -3.98270852 -8.76917139 -1.70956894 -0.50232685 -10.45426866 -10.7040388 4.05318759 5.21439167 6.79284752 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004132 0.0000924 35554-44-0 37175 144208749 A A Imazalil Clc2ccc(C(OCC=C)Cn1ccnc1)c(Cl)c2 Tox21_201551 -NCGC00259108-01 196722218 tox21-ror-cho-viability-p1 set3 4 43.7616928674 13.125564848 -7.625564848 5.5 3.2974983358 0.5210825182 0.1605581454 -6.42293522 -9.9601096 -4.91839943 -3.35105573 -3.94364063 -9.20495012 -9.18055471 -9.30071587 -4.34461274 -15.52130404 -5.12439279 -10.96394435 -4.65269536 -2.29952948 4.964005 1.191E-9 2.663E-9 5.954E-9 1.331E-8 2.977E-8 6.657E-8 1.489E-7 3.3279999999E-7 7.4429999999E-7 0.0000016639999999 0.000003721 0.0000083209999999 0.00001861 0.000041609999999 0.00009303 59-66-5 1986 144208757 A A Acetazolamide O=S(N)(=O)c1nnc(NC(C)=O)s1 Tox21_201559 -NCGC00094572-12 196722620 tox21-ror-cho-viability-p1 set3 4 0.1333319023 -19.8977129799 12 -7.8977129799 3.9294729863 0.6392832477 0.0703942033 10.94034761 14.66858254 10.25489813 8.93485684 17.11961266 11.12439676 8.71089694 -1.16314855 -19.39951588 6.64147898 -19.49809415 -1.57821161 3.65181964 -15.34016496 -10.90509816 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33089-61-1 36324 170465703 F Amitraz Cc2ccc(/N=C/N(C)/C=N/c1ccc(C)cc1C)c(C)c2 Tox21_111299_1 -NCGC00025302-02 196722635 tox21-ror-cho-viability-p1 set3 4 -0.33418595 -4.41266893 0.12317059 -7.82596247 -18.24254511 0.52439926 -17.48282504 -11.55132828 1.55621578 4.04334914 2.23971858 -1.31962496 -3.7660871 -6.19229054 -6.989112 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1135280-78-2 24978536 170466455 A Altanserin hydrochloride Cl.Fc1ccc(cc1)C(=O)C4CCN(CCN2C(=O)c3ccccc3NC2=S)CC4 Tox21_110960_1 -NCGC00254587-01 196719798 tox21-ror-cho-viability-p1 set3 4 0.0021491577 13.39960878 -13.89960878 -0.5 0.4 0.4147116798 0.2765004623 -5.97354209 -12.41634065 -3.19985874 -1.07821177 -5.4041786 -4.92718276 -5.05982317 -0.30706975 -1.19309651 1.94515613 -5.68011403 2.14241276 -1.16196507 -1.20150529 -5.65905567 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 6153-64-6 54680691 144210996 D Oxytetracycline dihydrate O.O.NC(=O)C=3C(=O)[C@@]4(O)C(O)=C2C(=O)c1c(O)cccc1[C@@](C)(O)[C@H]2[C@H](O)[C@H]4[C@@H](C=3O)N(C)C Tox21_300679 -NCGC00091351-03 196718950 tox21-ror-cho-viability-p1 set2 4 0.81652736 -1.65514621 -0.99178108 -1.46507609 -1.03167144 -1.8697836 0.63888715 -1.84975239 0.04843324 -0.66628891 -0.10048132 -1.47153752 -3.78656878 0.24039306 -2.27675036 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00016000-13 196719375 tox21-ror-cho-viability-p1 set2 -2.3 35.1818565023 -93.5882558204 0.2114892524 -93.376766568 0.3 0.6282163355 0.077324473 -6.01556062 -6.30312172 -5.54922637 -3.82418447 -8.68925979 -6.41435924 -8.10520397 -33.39136693 -25.40594931 -38.33592171 -44.39577898 -8.92163384 -27.41185607 -38.81108152 -77.81397214 1.203E-9 2.6909999999E-9 6.0159999999E-9 1.345E-8 3.0079999999E-8 6.726E-8 1.504E-7 3.3629999999E-7 7.52E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.000094 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00254913-01 196719783 tox21-ror-cho-viability-p1 set3 1.4 3.0637858693 28.516256224 -14.516256224 14 0.3 0.7881124302 0.0101223294 -11.18913334 -17.93021352 -7.27900728 -4.9176373 -12.40551545 -8.2782633 -1.15428709 -7.26996335 -2.6195294 -2.09976856 -0.27786298 -1.06495741 1.03261371 7.52088767 9.48623274 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 928-96-1 5281167 144211328 F (Z)-3-Hexen-1-ol CC\C=C/CCO Tox21_301011 -NCGC00254530-01 196720202 tox21-ror-cho-viability-p1 set3 4 5.73954525 2.71382653 12.89803803 4.67350901 7.63987869 9.89291564 13.66352714 13.55067432 -0.50407806 14.62848274 3.27944184 13.08853036 1.38347548 1.69173204 -0.47516819 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 375-85-9 67818 144210933 Perfluoroheptanoic acid FC(F)(C(F)(F)C(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300616 -NCGC00254708-01 196720205 tox21-ror-cho-viability-p1 set3 4 -3.07350584 -2.52030358 -2.34125811 6.53045648 3.97289131 4.04465799 0.66384162 0.18406962 0.43717979 -1.25267865 3.28294904 -2.9990196 5.80736375 5.08936783 6.18254107 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 483-63-6 2883 144211121 A A Crotamiton CCN(C(=O)C=CC)c1ccccc1C Tox21_300804 -NCGC00254930-01 196720208 tox21-ror-cho-viability-p1 set3 4 4.850835712 16.1675798879 -12.1675798879 4 0.4 0.8458404918 0.00258404 -12.30202168 -11.66916999 -8.92048205 -14.72298324 -8.68136025 -10.46987666 -9.45159847 -6.03396967 -6.52004667 -4.33566753 -5.60819054 -5.32968496 -2.04130669 -2.25866095 2.54311314 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 138261-41-3 86418 144211345 A A Imidacloprid [O-][N+](=O)/N=C2\NCCN2Cc1cnc(Cl)cc1 Tox21_301028 -NCGC00244579-01 196730221 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -45.186797356 3 -42.186797356 4.9549173134 0.9610067487 0.0000021317 2.36927324 2.82826041 4.35867447 2.38627564 2.89733195 2.38935191 0.2160352 1.24518267 4.24964966 4.67568482 6.43997355 5.5962754 -0.75949619 0.52111371 -33.8784106 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00258504-01 196730228 tox21-ror-cho-viability-p1 set3 4 0.1749208127 -8.5776551879 0.5 -8.0776551879 4.9549173134 0.4889903778 0.2052966261 2.50212811 -3.95329736 1.91200168 2.43892971 0.85643971 0 -1.11767545 -14.07833827 -4.76424177 -14.64804599 0 -14.16523874 -3.68840053 -4.89365018 0.92846004 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.679E-8 1.493E-7 3.3389999999E-7 7.467E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004174 0.00009334 1119-62-6 95116 144208149 A A 3,3'-Dithiodipropionic acid OC(=O)CCSSCCC(=O)O Tox21_200951 -NCGC00258231-01 196730237 tox21-ror-cho-viability-p1 set3 4 1.81865448 -1.02147478 -5.94715802 -4.493821 -4.10885969 0 -6.24528705 0 -0.13799902 -1.8706532 -0.37550996 0 -3.33732899 -0.74880811 0.10723204 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 96-22-0 7288 144207875 FNS 3-Pentanone CCC(=O)CC Tox21_200677 -NCGC00179492-03 196726138 tox21-ror-cho-viability-p1 set3 4 -0.5944533 -1.16667564 -8.40434093 -0.65657585 2.97002162 3.30779538 -6.94706492 -1.18997594 2.02801541 2.19498258 -6.84616869 -6.56044372 -6.2585413 3.1510762 -5.82377138 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3385-03-3 82153 170465331 A Flunisolide OCC(=O)[C@@]54OC(C)(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3C[C@H](F)C1=CC(=O)C=C[C@@]12C Tox21_110725_1 -NCGC00016323-09 196725717 tox21-ror-cho-viability-p1 set3 -2.4 13.3331902297 -26.2606728839 -2 -28.2606728839 1.21 0.7972241556 0.0084374348 -3.90390846 -1.95283269 -0.37777286 -2.20193064 1.40185362 0.54778757 0.25027194 -4.65127893 -8.32796817 -5.62185645 -4.73302961 -3.32022159 -9.29110837 -25.63389407 -20.07497227 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80-32-0 6634 170466574 A Sulfachloropyridazine O=S(=O)(Nc1ccc(Cl)nn1)c2ccc(N)cc2 Tox21_110372_1 -NCGC00166020-03 196725721 tox21-ror-cho-viability-p1 set3 4 2.1131682429 -5.6228311319 5.5 -0.1228311319 4.9549173134 0.3341423653 0.3366476897 2.85846429 2.22982316 1.17441662 7.8539691 2.79842165 8.8933655 0.84897464 11.74765147 5.14543958 10.74599138 3.04988425 -0.84813999 -0.76146589 2.98892248 -0.93569261 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 886-86-2 261501 170465717 A Ethyl 3-aminobenzoate methanesulfonic acid salt Nc1cc(ccc1)C(=O)OCC.CS(=O)(=O)O Tox21_112290_1 -NCGC00016613-10 196726124 tox21-ror-cho-viability-p1 set3 4 0.0237101377 6.81591534 -6.81591534 0 0.9999999999 0.3268406568 0.343245149 -0.46412883 -14.42992945 -5.34104946 -3.13748843 -4.67019456 -1.83352086 -4.90355024 2.89473523 -1.54660184 -1.23604843 1.58904297 -6.68346881 1.08934729 1.61934304 2.08712433 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2508-72-7 17275 170464765 A Antazoline hydrochloride Cl.C(c1ccccc1)N(CC2=NCCN2)c3ccccc3 Tox21_110524_1 -NCGC00016995-04 196726148 tox21-ror-cho-viability-p1 set3 4 -2.76853032 0 -5.76562889 -7.74711693 -1.39107716 3.06604934 -6.02086408 0.92754432 2.38840809 0.28253365 -7.81019457 -4.62911124 3.17240164 -0.0620097 -6.07772222 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 138-92-1 16051987 170465002 Z Betazole hydrochloride Cl.NCCc1ccnn1 Tox21_110729_1 -NCGC00091426-02 196726543 tox21-ror-cho-viability-p1 set3 4 1.57225259 -0.20859129 0.71851198 -3.14076192 -3.28529123 -0.50481693 -4.36840578 -3.34885831 0.31853425 0.63864487 3.93445276 3.93143969 0.84443661 -0.10502774 0.51712751 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00257229-01 196726542 tox21-ror-cho-viability-p1 set3 4 4.8458988921 7.6431073439 -4.6431073439 3 4.9549173134 0.4818207843 0.1955333538 -2.62850015 -1.62060183 0.24544958 -4.46871909 -4.55454746 -3.84271752 -15.11925612 -4.25379126 -2.85799479 -4.82489132 -4.90541165 5.84407461 2.46323212 2.90134418 0.94468662 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.586E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.0000036819999999 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009204 1646-88-4 9570093 144213583 A A Aldoxycarb CC(C)(/C=N/OC(=O)NC)S(C)(=O)=O Tox21_303266 -NCGC00257395-01 196726546 tox21-ror-cho-viability-p1 set3 -2.2 30.6378586933 -43.2166087086 0.253405755 -42.9632029536 2.1876167061 0.9754670496 1.542E-7 -0.16295827 0.33268538 -0.53295564 -0.16309672 0.07802264 0.12423343 2.71260604 -0.78737231 1.31786887 2.53074298 1.47173889 -4.68602758 -10.98523077 -25.73234236 -44.75333641 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131-55-5 8571 144213944 A A 2,2',4,4'-Tetrahydroxybenzophenone O=C(c1ccc(O)cc1O)c2ccc(O)cc2O Tox21_303639 -NCGC00257311-01 196708340 tox21-ror-cho-viability-p1 set1 4 -0.80017609 -12.86129805 -8.93121186 -3.87954849 -7.37308333 -3.45838609 -13.16822575 -3.73306491 -13.52287585 -20.31201409 -14.51043297 -17.73835161 3.33493381 -0.81674698 -5.48498925 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-05-8 22697 144213693 A A Ethyl 4-chlorophenyl ketone O=C(CC)c1ccc(Cl)cc1 Tox21_303381 -NCGC00257297-01 196708321 tox21-ror-cho-viability-p1 set1 -1.2 4.8557733675 -50.058528264 -9.432356524 -59.490884788 2.3331733767 0.9688548319 0.0400436298 -9.28665907 -11.05365717 -13.66908558 -7.69396936 -5.96192375 -7.90170355 -9.36056929 -8.65753324 -16.37775495 -12.94700179 -22.10578538 -55.01870031 -54.62269873 -22.34314586 -58.74240399 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1166-52-5 14425 144213796 A A Dodecyl gallate Oc1cc(cc(O)c1O)C(=O)OCCCCCCCCCCCC Tox21_303487 -NCGC00091650-03 196708327 tox21-ror-cho-viability-p1 set1 4 -0.85945887 -0.61779271 -12.56565403 -10.21635269 -9.60427826 -12.68721352 -9.55974156 -9.10396256 -10.76535279 -16.36491049 1.31799313 -11.44505309 0.67717348 -0.02778095 -14.61776962 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00256537-01 196708329 tox21-ror-cho-viability-p1 set1 4 4.96951874 -0.81128936 0.22360633 0.54072252 0.30306124 3.8628572 9.87955991 3.31219647 3.9765575 -1.03242141 1.53329562 -1.09425247 4.46976935 1.46198851 3.19776035 1.1779999999E-9 2.634E-9 5.891E-9 1.3169999999E-8 2.945E-8 6.586E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.0000036819999999 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009204 59-67-6 938 144213221 A A Nicotinic acid O=C(O)c1cccnc1 Tox21_302904 -NCGC00260237-01 196703783 tox21-ror-cho-viability-p1 set1 4 0.30899117 1.42873269 -2.53717347 5.02391582 5.00971382 -0.243749 4.26334813 0.09743224 -2.46447811 0.38399342 -6.13788201 0.37699706 0.47697906 -0.11549651 -3.93052901 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.000018359999999 0.000041049999999 0.000091779999999 32353-64-3 11995188 144209887 A Z 1-Butyl-4-methylpyridinium iodide [I-].Cc1cc[n+](CCCC)cc1 Tox21_202689 -NCGC00356982-01 196703370 tox21-ror-cho-viability-p1 set1 4 1.05989147 4.39709129 1.0845012 7.22789802 -0.08510513 4.05023025 8.57484774 -0.4657515 1.2693014 0.64504508 4.72985563 3.99099812 1.41131911 1.42312823 6.96639279 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89415-87-2 62299 251919730 F 1,3-Dichloro-5-ethyl-5-methylhydantoin CC1(CC)C(=O)N(Cl)C(=O)N1Cl Tox21_303928 -NCGC00260223-01 196703374 tox21-ror-cho-viability-p1 set1 4 2.40665078 3.55491427 -0.17534458 0.65114237 3.30375494 -0.06121476 10.19327104 3.49763371 6.24030703 5.90690155 3.47700791 7.97428704 2.11944437 4.57035084 6.57449124 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.629E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008287 0.00001853 0.000041429999999 0.00009265 286453-46-1 60196389 144209873 A A 1-Butyl-2-methylpyridinium tetrafluoroborate Cc1cccc[n+]1CCCC.F[B-](F)(F)F Tox21_202675 -NCGC00357250-01 196703774 tox21-ror-cho-viability-p1 set1 4 68.5896218971 13.872662048 0.127337952 14 1.0999999999 0.4575696465 0.2191716934 -1.17757308 -3.64388504 -0.56543233 0.99271186 5.87894611 -1.48572149 -0.21806882 1.43239855 -0.86236965 -1.86194013 0.77042979 1.91852115 6.47561438 0.45193705 10.01975242 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2497-06-5 17241 251919770 A Disulfoton sulfone O=S(=O)(CCSP(=S)(OCC)OCC)CC Tox21_304043 -NCGC00357237-01 196703790 tox21-ror-cho-viability-p1 set1 4 0.02440139 -2.17781618 1.67711662 -1.9358438 -0.45094462 -1.48340333 -1.32503833 0.22344977 -1.92437713 -2.13674086 0.55465589 -0.26254215 0.20592565 -0.63238225 -2.84830409 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 213464-77-8 11091168 251919723 F Orthosulfamuron O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Nc2ccccc2C(=O)N(C)C Tox21_304028 -NCGC00357055-01 196703791 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -19.34722756 -1.5 -20.84722756 4.9549173134 0.5065142763 0.173176455 -0.498455 -0.49083292 -1.35418169 -3.09454514 -2.13343609 -0.9357185 -1.94595921 9.55227026 -4.36219978 -3.97438761 -0.80853276 -0.89977071 -7.16687099 -1.34903991 -15.2893563 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84-15-1 6766 251919831 A o-Terphenyl c1cc(ccc1)c3ccccc3c2ccccc2 Tox21_303755 -NCGC00262960-01 196704187 tox21-ror-cho-viability-p1 set1 4 -4.06893043 0.16479731 -6.75047708 -0.24081913 2.43477505 2.3981326 -0.52161807 -5.65233676 -6.47180557 -1.18404244 -0.48378444 -4.80191607 0.61888219 0.56620663 -0.6420805 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 76738-96-0 20055397 170466824 A A Resocortol butyrate CCC(=O)[C@@]4(OC(=O)CCC)CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_113951 -NCGC00263544-01 196704199 tox21-ror-cho-viability-p1 set1 4 6.6824247267 -8.2954655719 1.5 -6.7954655719 4.9549173134 0.6959187109 0.040504581 2.55239209 1.65157444 3.81412201 1.81761537 -0.53585808 2.26551818 2.1461712 0.00984133 -4.65634704 1.90635213 2.33790872 2.0010094 -6.22452004 -4.90060382 -7.74622131 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 24584-09-6 71384 170464709 A Dexrazoxane hydrochloride O=C2CN(C[C@H](C)N1CC(=O)NC(=O)C1)CC(=O)N2 Tox21_112256_1 -NCGC00095048-06 196704201 tox21-ror-cho-viability-p1 set1 4 -2.37895583 -0.61562563 -3.36486934 -1.98358595 0.65436937 -5.14736986 -3.41251428 -5.08430728 -1.76899014 -4.62664061 0.62115264 1.75591638 -3.99805436 -0.14166496 -4.27255779 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54-91-1 4842 170465158 C Pipobroman O=C(CCBr)N1CCN(CC1)C(=O)CCBr Tox21_111402_1 -NCGC00260182-01 196703941 tox21-ror-cho-viability-p1 set1 4 -0.41120118 -0.86599957 3.4262409 3.28644972 4.39372809 1.94580449 6.49872585 -0.43793884 -0.16126261 -0.33530045 8.17577949 -3.87995692 0.14295404 2.97727356 7.45532346 1.1759999999E-9 2.631E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.576E-8 1.471E-7 3.288E-7 7.3529999999E-7 0.0000016439999999 0.000003676 0.00000822 0.000018379999999 0.0000411 0.000091909999999 292140-86-4 50878556 144209832 A 1-Ethyl-2,3-dimethylimidazolium hexafluorophosphate C[n+]1ccn(CC)c1C.F[P-](F)(F)(F)(F)F Tox21_202634 -NCGC00259679-01 196706833 tox21-ror-cho-viability-p1 set1 4 -3.26429448 4.00024941 -5.85838163 -1.11914234 -0.06172024 -9.83395413 -2.78629738 -2.11306853 0.20797322 -4.0225466 -9.0365015 0.26180005 -5.92662634 -3.09396312 -8.93211941 1.158E-9 2.589E-9 5.789E-9 1.2949999999E-8 2.8949999999E-8 6.473E-8 1.447E-7 3.2359999999E-7 7.2359999999E-7 0.000001618 0.000003618 0.000008091 0.000018089999999 0.00004045 0.000090459999999 3883-43-0 5284382 144209328 D 2,3-Dichloro-p-dioxane Cl[C@H]1OCCO[C@@H]1Cl Tox21_202130 -NCGC00256875-01 196707239 tox21-ror-cho-viability-p1 set1 4 5.1022715 1.17530917 1.54706433 2.30878294 -0.66263736 4.50029747 -0.03413956 9.18327119 7.0982035 0.10863118 1.85256662 0.04938474 0.35419898 5.92939077 6.58609927 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-86-2 5282109 144212862 C Bc (2E)-3,7-Dimethylocta-2,6-dien-1-yl formate C\C(C)=C\CCC(\C)=C\COC=O Tox21_302545 -NCGC00260203-01 196703922 tox21-ror-cho-viability-p1 set1 4 3.00372659 7.15160341 2.14273292 -1.2975311 0.26917565 1.24391074 7.20721933 3.80993878 -1.11489411 -0.19664911 1.24532179 4.2909744 3.44626984 1.48404963 7.17225669 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004135 0.00009247 85100-76-1 60196377 144209853 F F 1-Methyl-3-propylimidazolium bromide Br.CCCN1C=CN(C)C1 Tox21_202655 -NCGC00090686-07 196703928 tox21-ror-cho-viability-p1 set1 4 1.9331181962 3.9738077359 -0.4738077359 3.5 4.9549173134 0.3291917325 0.3587418036 -2.12478624 5.11893097 -2.23441747 -0.03295311 -2.89483978 -0.82753331 0.06042682 0.99080111 -1.13227192 0.00795412 8.90463778 1.03076706 1.37537281 3.30071739 -4.42507717 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00260116-01 196703933 tox21-ror-cho-viability-p1 set1 4 19.5082460975 -10.8295368039 -1 -11.8295368039 2.7202212143 0.4620814525 0.2315442565 0.25739465 -5.36709999 -5.13786904 -0.30332183 0.24984274 -4.65906875 3.45761918 -0.04004442 -0.11733378 -4.46143418 3.95226304 -2.64376485 -5.71901045 -10.69128067 -5.30845136 1.189E-9 2.658E-9 5.9439999999E-9 1.3289999999E-8 2.9719999999E-8 6.646E-8 1.486E-7 3.323E-7 7.4299999999E-7 0.0000016609999999 0.0000037149999999 0.000008307 0.000018579999999 0.00004154 0.000092879999999 7351-61-3 81811 144209765 F F 3-(Trichlorosilyl)propyl methacrylate Cl[Si](Cl)(Cl)CCCOC(=O)C(=C)C Tox21_202567 -NCGC00357198-01 196703946 tox21-ror-cho-viability-p1 set1 4 0.38400984 2.37372544 7.55172994 1.85132607 1.29216115 2.79312205 6.86449826 1.66608563 -0.28813393 6.7073035 0.82954175 0.82959976 4.70815028 1.1860581 -0.39301566 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-29-8 8173 251919855 A 1-Bromodecane BrCCCCCCCCCC Tox21_303974 -NCGC00090965-04 196704354 tox21-ror-cho-viability-p1 set1 4 -1.33667772 -0.88853962 -0.80381942 -0.12929988 0.65058029 -3.48107454 1.33604656 -0.45336385 -3.81317606 0.78902636 -3.69606497 0.40748101 -1.58964504 -1.06593595 -3.53812705 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00016296-07 196704357 tox21-ror-cho-viability-p1 set1 -2.4 13.3331902297 -23.4955831079 -1 -24.4955831079 1.4780888099 0.9338282273 0.0000384029 -0.0346463 -3.24156275 -2.89855362 -0.09901486 -2.02504243 0.11925267 1.88945085 -3.22837101 -0.11557063 -0.15317513 0.49628782 -6.15168418 -10.67418365 -14.99090991 -22.07965259 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66-76-2 54676038 170465275 F Dicumarol OC=3c4ccccc4OC(=O)C=3CC1=C(O)c2ccccc2OC1=O Tox21_110357_1 -NCGC00159377-04 196704767 tox21-ror-cho-viability-p1 set1 4 -0.06598066 0.5137733 0.09650181 -0.38067586 0.32678498 1.05136797 1.99410462 3.92080269 3.23585082 0.2512283 0.03135831 1.80759419 -0.20133673 6.20808367 0.22585154 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98-54-4 7393 170465689 Fc 4-tert-Butylphenol CC(C)(C)c1ccc(O)cc1 Tox21_111617_1 -NCGC00015656-12 196704776 tox21-ror-cho-viability-p1 set1 4 -2.04114929 0.21379601 4.33974676 3.48622318 0.76994777 0.98416074 -0.42592416 3.34132954 3.48600556 3.54654107 0.22066043 3.72834207 0.40983456 3.23599005 -0.9545591 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 24219-97-4 4184 170465596 A Mianserin CN1CC2N(CC1)c4ccccc4Cc3ccccc23 Tox21_110191_1 -NCGC00016801-05 196705171 tox21-ror-cho-viability-p1 set1 4 1.84020673 -2.41524944 -4.16182111 2.08869974 -5.2425286 -4.00209394 -2.59442162 -4.61913545 -4.90570688 2.81918737 -1.37688356 -3.49423221 -2.47439377 0.18293414 0.37029538 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27912-14-7 5284409 170464743 A Levobunolol hydrochloride Cl.CC(C)(C)NC[C@H](O)COc2cccc1c2CCCC1=O Tox21_110617_1 -NCGC00253771-01 196705172 tox21-ror-cho-viability-p1 set1 4 -0.14305095 1.41974372 2.82370394 -0.13552288 2.1334888 2.99501793 -8.08021124 4.72009977 -7.55107717 -3.29121848 -0.27503916 2.80270288 -0.34395447 -2.32993644 5.06619489 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 30187-90-7 146256 170466515 A A Xibenolol CC(C)(C)NCC(O)COc1cccc(C)c1C Tox21_113884 -NCGC00254427-01 196714569 tox21-ror-cho-viability-p1 set2 4 -0.07921229 -1.08198958 -1.23441579 0.28207045 -1.37991619 0.70113207 0.74113357 0.70125105 1.01928986 2.31738592 1.4675954 -0.36636224 3.73806612 0.56841622 3.34315915 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-13-0 454 144210655 CC Fns Octanal CCCCCCCC=O Tox21_300337 -NCGC00015675-08 196714157 tox21-ror-cho-viability-p1 set2 4 -7.14950268 -4.28722549 -1.93740329 2.69835204 -1.69888738 -10.25487648 -6.58163185 -5.55144208 -4.85912789 1.88152752 -1.21381866 -4.49118354 -4.76445273 -5.39642382 -3.68532919 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00244580-01 196714160 tox21-ror-cho-viability-p1 set2 4 -3.20303815 -0.32040512 1.4924865 0.73727692 -0.25850414 2.42066586 -0.57047372 0.38659395 1.45012787 5.43376432 1.26606676 3.62458728 4.41328415 0.82093039 -3.74027277 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00253933-01 196714559 tox21-ror-cho-viability-p1 set2 4 10.8707224818 8.31770994 -7.31770994 1 1.331 0.5823449853 0.1111257536 -5.70348637 -5.89117461 -4.94395641 -5.54673949 -10.12519429 -7.49057458 -11.93142495 -5.97455039 -10.10855666 -7.39493515 -5.45968439 -1.14424782 -5.65173592 1.7598843 -0.01858385 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-60-2 7768 144210483 A A Caprolactam O=C1CCCCCN1 Tox21_300163 -NCGC00344524-01 196712931 tox21-ror-cho-viability-p1 set2 -2.1 29.8492948118 -78.3570241394 -1.847914185 -80.2049383244 2.5334283767 0.9485657747 0.0000098128 1.96024918 -0.53074466 -3.73914673 1.47080564 -0.42078176 -2.02483083 0.91627027 1.20816909 -1.06031022 -3.41259251 -5.57382174 -11.89055463 -9.59356699 -20.262584 -61.51889267 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122-18-9 31202 170465465 A Benzylhexadecyldimethylammonium chloride [Cl-].C[N+](C)(Cc1ccccc1)CCCCCCCCCCCCCCCC Tox21_112574_1 -NCGC00090942-03 196712520 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -110.6076719282 1.5828385959 -109.0248333323 4.9549173134 0.9804142369 4.21E-8 5.28993231 -2.40844101 5.53353816 -2.35675384 -2.66413924 -2.49140395 2.27073343 3.91341784 -1.10582861 0.81292506 3.78684306 3.33176888 1.73712648 -0.96809765 -88.63807588 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00022848-17 196712521 tox21-ror-cho-viability-p1 set2 4 11.8832183006 12.8713536719 -2.8713536719 10 0.3 0.7846906484 0.0111744724 -4.47612806 -1.38234125 -0.88463097 -2.19056474 -0.54499722 0.68314017 -0.20729218 -0.61422533 0.30119121 0.41595747 2.71400694 0.03329804 2.96481247 3.9011846 6.87026315 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-23-7 5754 170464635 A Hydrocortisone OCC(=O)[C@@]4(O)CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_110883_1 -NCGC00015437-17 196712927 tox21-ror-cho-viability-p1 set2 4 -3.95913481 -1.56254141 -4.55300904 -4.33758186 -2.7543717 -3.9571018 -1.52322822 -1.29878042 -1.68014731 -1.31551474 -0.62438256 0.40279914 -1.407828 -2.67467179 -5.77915529 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 49562-28-9 3339 170464718 A Fenofibrate O=C(c1ccc(Cl)cc1)c2ccc(OC(C)(C)C(=O)OC(C)C)cc2 Tox21_110147_1 -NCGC00025349-05 196712943 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -13.746833368 1 -12.746833368 4.9549173134 0.8944553072 0.0004355414 -0.01672992 -1.36594024 2.72279476 1.02865681 0.51804414 1.22337333 1.18966563 0.29121061 2.73252335 0.69822964 0.87264191 1.51718816 0.1146292 -0.31746214 -10.62236114 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-00-4 6005 170465297 A Apomorphine Oc3ccc2C[C@@H]1c4c(CCN1C)cccc4c2c3O Tox21_110967_1 -NCGC00016003-10 196713354 tox21-ror-cho-viability-p1 set2 4 -2.58436527 -3.24622436 -4.51463121 -4.69165365 -2.72096793 1.73354898 -4.37999666 -1.13486892 -1.68555392 -1.80089669 -3.75423751 -1.07134694 -2.73458768 1.31770491 1.75410065 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52-49-3 66007 170464756 A Trihexyphenidyl hydrochloride Cl.OC(CCN1CCCCC1)(c2ccccc2)C3CCCCC3 Tox21_111274_1 -NCGC00164329-03 196713761 tox21-ror-cho-viability-p1 set2 -2.4 33.4914596268 -27.044457704 2 -25.044457704 4.9549173134 0.9116782338 0.0001732676 0.33706051 3.954944 4.30238261 0.85389259 3.51347517 0.70454085 -1.95453966 3.39609936 -0.87115045 2.12139973 1.60267663 1.35252312 2.88615716 0.8139749 -20.87038142 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112-90-3 5356789 170466579 A (Z)-9-Octadecenylamine CCCCCCCC\C=C/CCCCCCCCN Tox21_112099_1 -NCGC00018277-06 196713762 tox21-ror-cho-viability-p1 set2 4 -0.24216095 -0.93001118 6.25636619 5.02787298 5.55798399 1.86163663 5.25466771 3.56244422 4.39009814 0.67969825 -0.23877222 -1.01618806 0.60971022 3.89014824 6.37125648 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2753-45-9 17683 170466168 A Mebeverine hydrochloride Cl.COc1cc(ccc1OC)C(=O)OCCCCN(CC)C(C)Cc2ccc(OC)cc2 Tox21_110527_1 -NCGC00257681-01 196716187 tox21-ror-cho-viability-p1 set2 4 1.82008972 1.59747012 2.85744483 2.8437308 0.09401429 1.30432853 1.90017981 1.94915779 -0.05331877 0.50392913 1.1023687 -1.81755922 -1.19369015 0.55861689 2.89357591 1.19E-9 2.661E-9 5.95E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003719 0.000008315 0.00001859 0.00004157 0.000092959999999 959-24-0 66245 144207325 A A Sotalol hydrochloride Cl.O=S(C)(=O)Nc1ccc(cc1)C(O)CNC(C)C Tox21_200127 -NCGC00257604-01 196715774 tox21-ror-cho-viability-p1 set2 4 2.33162906 -1.0346957 -5.20421285 0.54467712 -6.15273567 -5.40947481 1.08450102 1.13887014 0.43237058 -0.25392457 -11.38206455 -3.55402383 -5.28872473 -3.47243167 -4.84433758 1.177E-9 2.6319999999E-9 5.886E-9 1.316E-8 2.943E-8 6.5809999999E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.000003679 0.000008226 0.00001839 0.00004113 0.000091969999999 683-72-7 12694 144207248 A 2,2-Dichloroacetamide ClC(Cl)C(N)=O Tox21_200050 -NCGC00258257-01 196715775 tox21-ror-cho-viability-p1 set2 4 0.46008742 -2.46467066 -0.50463722 -0.91078044 -0.07680855 -0.49084761 -0.20107073 4.12500873 -0.65080428 4.59355961 -1.2104004 4.01178206 7.4321041 3.29495682 5.16772974 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.626E-8 1.482E-7 3.3129999999E-7 7.408E-7 0.000001656 0.000003704 0.000008282 0.00001852 0.000041409999999 0.000092599999999 118-92-3 227 144207901 A A Anthranilic acid OC(=O)c1ccccc1N Tox21_200703 -NCGC00258047-01 196716185 tox21-ror-cho-viability-p1 set2 4 -1.23342974 -1.62589484 4.88047713 3.91657085 2.46363388 0.8772589 -0.65042312 1.76117061 3.57962515 -0.68198396 1.72452816 -46.11643792 3.27526995 -1.27419743 2.22780029 1.214E-9 2.715E-9 6.07E-9 1.357E-8 3.035E-8 6.786E-8 1.517E-7 3.393E-7 7.587E-7 0.000001697 0.000003794 0.000008483 0.00001897 0.00004242 0.000094839999999 1192-28-5 14500 144207691 A A Cyclopentanone oxime O\N=C1\CCCC1 Tox21_200493 -NCGC00164164-02 196716592 tox21-ror-cho-viability-p1 set2 4 -5.14684635 1.60143927 1.86559176 -2.10193008 2.61632353 -2.88463571 -0.942244 -2.46939834 0.47703804 -5.03772712 1.99023361 -4.93164776 -3.40805676 -3.72483819 0.14898473 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00253944-01 196714126 tox21-ror-cho-viability-p1 set2 4 0.1087072248 -5.659474864 0 -5.659474864 2.4063783767 0.4419812003 0.2507073288 0.19174879 -1.01234067 0.24900664 0.20831382 -1.00693845 -1.28843934 -2.89949124 -8.1286603 -10.13289572 -2.3605529 -9.48080186 -5.57525776 -4.52875525 1.23250143 0.43939777 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-88-0 7896 144210405 A A 1,3-Butanediol CC(O)CCO Tox21_300085 -NCGC00160456-03 196713699 tox21-ror-cho-viability-p1 set2 4 7.39961141 6.11157705 6.28626264 6.33228492 8.95598988 5.90689418 5.84087806 0.25736657 1.81822558 1.43685985 1.10774058 -0.12326964 -0.24756408 -0.10324171 -0.54617955 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 147-58-0 8614 170465302 A 2-Iodohippuric acid O=C(NCC(=O)O)c1ccccc1I Tox21_111826_1 -NCGC00263580-01 196713703 tox21-ror-cho-viability-p1 set2 4 2.373612 1.02614517 2.25160276 1.69286966 3.22438012 1.97794119 0.61905516 0.42144003 1.65335265 -3.35060407 -1.6994024 0.43771406 -4.52067234 -0.86706756 3.68322989 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 152946-68-4 108188 170465591 A Nolatrexed dihydrochloride Cl.Cl.NC3=Nc2ccc(C)c(Sc1ccncc1)c2C(=O)N3 Tox21_112673_1 -NCGC00164561-02 196713710 tox21-ror-cho-viability-p1 set2 4 -0.97051387 -0.72885334 -0.55249967 -2.98110126 -5.43837865 1.22805361 -4.52462791 1.78783369 -4.88640142 1.82314389 -1.39120816 0.43420006 -1.78098138 -1.515348 -5.33713436 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 139110-80-8 60855 170464662 Z Zanamivir O[C@@H]([C@@H]1OC(=C[C@H](NC(=N)N)[C@H]1NC(C)=O)C(=O)O)[C@H](O)CO Tox21_112190_1 -NCGC00254222-01 196714131 tox21-ror-cho-viability-p1 set2 4 4.8557733675 4.770147732 0.229852268 5 4.9549173134 0.5115213996 0.1709585196 -0.15954611 0.02961978 -5.22512311 -0.1140869 -0.32550593 4.60795037 1.83782912 1.55711156 0.08244863 0.49605985 0.39104587 6.24061219 5.55262644 2.89692461 5.35609053 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 439687-69-1 9895468 144210560 A A Nelivaptan CN(C)C(=O)[C@@H]1C[C@@H](O)CN1[C@]3(c2cc(Cl)ccc2N(C3=O)S(=O)(=O)c4ccc(OC)cc4OC)c5ccccc5OC Tox21_300240 -NCGC00254527-01 196714136 tox21-ror-cho-viability-p1 set2 4 0.8297108 -3.92869618 -3.95959319 0.46183993 0.17992926 1.8389223 1.18518809 -1.91352094 0.10655372 -2.29996044 -2.89165283 0.84521288 0.04827576 -2.37830609 -1.98031619 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 754-91-6 69785 144210730 A A PFOSA FC(F)(C(F)(F)S(N)(=O)=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300412 -NCGC00254253-01 196714533 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -79.7237486773 -2.8481168839 -82.5718655612 4.9549173134 0.949824914 0.0000085684 -1.62324856 -1.79521713 -0.08728905 -5.19848113 0.96381522 -1.97251651 -4.10448782 -0.85441454 -1.58914526 -2.24514908 -1.39771795 -0.78900256 -15.57383316 -7.4385383 -67.51735362 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 203942-49-8 9810771 144210770 A A UK-337312 [O-]S(C)(=O)=O.FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N(C)C[C@@H](CC[N+]23CCC(CC2)(CC3)C4CCCCC4)c5ccc(Cl)c(Cl)c5 Tox21_300452 -NCGC00255723-01 196700223 tox21-ror-cho-viability-p1 set1 4 0.9501642011 5.417826388 -4.917826388 0.5 3.9294729863 0.4640037591 0.2126696118 -5.19992603 -4.61222555 -7.43152199 -5.21404159 0.80827533 -7.05603569 -6.46987405 -4.40927861 -4.6926428 3.14526956 3.2686675 -3.74139054 -1.5352182 -2.84293978 5.08516444 1.1609999999E-9 2.5959999999E-9 5.804E-9 1.298E-8 2.9019999999E-8 6.489E-8 1.451E-7 3.245E-7 7.255E-7 0.000001622 0.000003628 0.000008112 0.00001814 0.00004056 0.000090689999999 98-66-8 7400 144212389 Ac Ac 4-Chlorobenzenesulfonic acid OS(=O)(=O)c1ccc(Cl)cc1 Tox21_302072 -NCGC00091278-03 196699812 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -16.9119954199 0 -16.9119954199 3.2974983358 0.6104908578 0.0903437105 -6.21016617 2.63453063 0.80908769 1.48739337 0.31468091 1.36204132 2.11705704 0.59299414 -0.80215916 -0.59042887 -0.81240244 0.69557124 -5.62444285 -1.58628196 -12.42666285 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00255367-01 196700219 tox21-ror-cho-viability-p1 set1 -1.1 2.7306020303 -84.0484901878 -3.810082063 -87.8585722508 3.0654483358 0.9953639525 0 -4.62374484 -6.06649159 0.4230018 -6.5621857 -5.45720156 -0.20530438 -4.51047835 -4.05661217 -6.60351357 -16.4755749 -63.19278088 -82.79872681 -89.76539926 -92.67781883 -84.99480646 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 64359-81-5 91688 144212726 A D 4,5-Dichloro-2-octyl-3(2H)-isothiazolone ClC=1SN(CCCCCCCC)C(=O)C=1Cl Tox21_302409 -NCGC00255993-01 196700221 tox21-ror-cho-viability-p1 set1 4 0.32602613 -5.77496581 -7.04266161 -1.6631803 -2.35992368 -0.56845674 0.65793617 -5.99253506 -2.07771929 -0.96568719 1.83004443 -0.81125647 -2.85723287 0.14240817 1.42625986 1.018E-9 2.277E-9 5.091E-9 1.1379999999E-8 2.545E-8 5.691E-8 1.2729999999E-7 2.846E-7 6.363E-7 0.000001423 0.0000031819999999 0.0000071139999999 0.00001591 0.00003557 0.00007954 51-05-8 5795 144212431 A A Procaine hydrochloride Cl.Nc1ccc(cc1)C(=O)OCCN(CC)CC Tox21_302114 -NCGC00164449-04 196700228 tox21-ror-cho-viability-p1 set1 4 0.06434138 1.99597254 -2.17865698 0.82224323 0.57853686 0.78619448 1.05330577 -0.62793052 2.15272132 1.92140387 -7.5859254 2.11310342 2.52405278 0.33287726 -0.04215033 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00253637-01 196722655 tox21-ror-cho-viability-p1 set3 4 0.2984929481 -5.961009556 3.5 -2.461009556 4.9549173134 0.5032645105 0.1765547693 -3.82419529 6.57917107 2.11246403 6.87124808 4.21232088 1.22957832 4.76248823 6.82648891 -1.21443818 -1.64013078 0.74429455 -5.38417463 -3.26948783 -4.78947057 -0.33928494 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 114772-53-1 145512 170466769 F A 4'-Methylbiphenyl-2-carbonitrile Cc1ccc(cc1)c2ccccc2C#N Tox21_113764 -NCGC00259991-01 196722245 tox21-ror-cho-viability-p1 set3 -1.1 15.2928625827 -87.3667482578 -2.313669427 -89.6804176848 1.4787409999 0.9918514115 2E-10 -5.35458193 -3.45063234 -3.0030893 0.42425663 -3.39671259 -4.87226038 -3.50263279 -1.28831342 -4.94470178 -3.2660356 -7.16153195 -27.29234146 -55.03854184 -69.10452393 -82.71243764 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 87-10-5 14868 144209640 A B Tribromsalan Oc1c(cc(Br)cc1Br)C(=O)Nc2ccc(Br)cc2 Tox21_202442 -NCGC00259801-01 196722247 tox21-ror-cho-viability-p1 set3 4 0.0485577337 4.974092284 -4.474092284 0.5 4.9549173134 0.3560477541 0.3157779681 1.40778322 -8.13783834 -0.15697794 -9.56174357 -6.6246196 1.18343217 0.58920325 0.69055952 0.59469889 2.54589646 -0.5292708 2.23438445 -5.26356103 -0.25803919 2.44452167 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 527-60-6 10698 144209450 A A 2,4,6-Trimethylphenol Cc1cc(C)c(O)c(C)c1 Tox21_202252 -NCGC00159378-04 196722643 tox21-ror-cho-viability-p1 set3 4 0.6682424727 8.8442909 0.1557091 9 1.4641 0.597356424 0.1135403297 -0.81328191 -0.14018682 0.35644959 -0.51675263 0.32982202 2.39973573 2.69525937 -0.3110736 -1.95357575 12.46481086 3.03790451 8.15855881 11.90315001 6.89335281 3.64645164 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-88-1 60962 170466834 F Phenylhydrazine hydrochloride Cl.NNc1ccccc1 Tox21_111618_1 -NCGC00253761-01 196722663 tox21-ror-cho-viability-p1 set3 4 0.2113168243 7.5 1 8.5 4.9549173134 0.606209786 0.1069422061 2.69590438 1.86641173 1.69728047 1.76797886 0.42414473 0.46598263 0.49910313 1.03794571 12.23443817 12.47326679 7.77307909 3.56835199 11.03433068 2.8153654 0.12453631 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68576-86-3 50222 170466221 A Ac Enciprazine OC(CN1CCN(CC1)c2ccccc2OC)COc3cc(OC)c(OC)c(OC)c3 Tox21_113874 -NCGC00249891-01 196723056 tox21-ror-cho-viability-p1 set3 4 0.0029849295 -13.5730639399 10.5 -3.0730639399 0.4 0.4063417787 0.2835525881 3.87466239 9.14585697 4.77465989 -2.73884806 -1.93574814 4.82670389 5.41975239 -1.66271442 -3.88601126 -3.28059446 -1.17665571 -7.14421995 1.44912994 -2.478147 10.65588342 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118-23-0 2444 170465292 A A Bromodiphenhydramine Brc1ccc(cc1)C(OCCN(C)C)c2ccccc2 Tox21_113667 -NCGC00018274-05 196723064 tox21-ror-cho-viability-p1 set3 4 2.15982205 2.46788944 5.03788407 -7.64070161 -16.40885836 -3.5241306 -15.02693704 -12.16769461 4.05240401 3.12366738 1.26840128 -2.01846244 -2.26262801 0.61892813 0.19075192 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13739-02-1 26248 170466475 A Diacerein CC(=O)Oc3cccc2C(=O)c1cc(cc(OC(C)=O)c1C(=O)c23)C(=O)O Tox21_110856_1 -NCGC00256729-01 196726958 tox21-ror-cho-viability-p1 set3 4 29.8492948118 -13.8366936039 1.5 -12.3366936039 4.9549173134 0.5212484523 0.1606346288 1.25913808 -1.22226604 -0.06875376 2.81022546 2.17080296 3.91346683 4.51924944 6.46548423 1.74184024 1.87964604 -7.24236716 1.22529232 2.1234924 -0.47310844 -10.69724467 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 8008-45-5 144212971 M M Nutmeg oil Tox21_302654 -NCGC00016636-05 196725238 tox21-ror-cho-viability-p1 set3 4 0 -13.38910781 -1.8497071 2.03857806 4.83021456 3.265489 -9.08502647 -9.57440711 -3.07854698 1.32950037 1.60066047 4.49987387 3.178678 3.10222638 -9.95872118 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3717-88-2 441345 170466285 A Flavoxate hydrochloride Cl.O=C(OCCN1CCCCC1)c4cccc2c4OC(=C(C)C2=O)c3ccccc3 Tox21_110537_1 -NCGC00164265-02 196725650 tox21-ror-cho-viability-p1 set3 4 0.0021131682 -7.9197343159 6.5 -1.4197343159 2.7867712143 0.8075908183 0.0098695025 6.12789785 4.98690121 0.92209181 -0.83832717 -1.59424119 -1.38412697 -0.73682213 -1.06702088 0.32161273 -2.98953431 -1.54924692 -0.41988366 -4.93311193 -0.50117906 10.04400213 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23696-28-8 71905 170466545 A Olaquindox OCCNC(=O)c2c(C)[n+]([O-])c1ccccc1[n+]2[O-] Tox21_112095_1 -NCGC00091449-10 196726050 tox21-ror-cho-viability-p1 set3 4 2.03475056 1.39788598 -0.59368061 2.32982545 0.65704474 -1.16813793 0.96849322 2.6519456 1.99716093 0.89476621 -2.31176113 6.40656649 2.87267783 2.69063125 0.11843426 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97-53-0 3314 170465464 F Eugenol Oc1ccc(cc1OC)CC=C Tox21_111134_1 -NCGC00023945-12 196726144 tox21-ror-cho-viability-p1 set3 4 0 0 -7.68946986 -1.66060953 4.18193783 -4.65261684 2.97817192 2.29881989 -8.31040842 4.17311051 0.53551565 -8.81149173 -1.94345848 0.90921263 -0.40000925 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 30516-87-1 35370 170464737 A 3'-Azido-3'-deoxythymidine CC1=CN(C(=O)NC1=O)[C@H]2C[C@H](\N=[N+]=[N-])[C@@H](CO)O2 Tox21_110062_1 -NCGC00066947-05 196726549 tox21-ror-cho-viability-p1 set3 4 -4.43046052 -4.6572968 -6.31918634 -3.26013083 -3.41410465 -3.40246653 -17.05052474 -17.36695812 0 -0.09933621 0 -6.29207591 -3.623864 0.45883019 -4.95854124 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00256864-01 196726553 tox21-ror-cho-viability-p1 set3 4 2.38148627 0.63185809 1.78504488 0.49180307 0.12172356 0.63481595 -2.37332767 0.28946508 0.80720505 0.29899523 0.47472392 0.81806156 0.34719363 -1.34950099 2.66804971 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16485-10-2 4678 144212977 A A Panthenol CC(C)(CO)C(O)C(=O)NCCCO Tox21_302660 -NCGC00256545-01 196726968 tox21-ror-cho-viability-p1 set3 4 -4.17213918 0.34257086 -4.27249236 -2.31415022 -3.42884943 -4.03555135 -1.57383459 -0.88040467 -0.20551202 1.14330678 -0.29274819 -4.65390315 -5.07751006 -2.80371634 -2.1134205 1.041E-9 2.327E-9 5.203E-9 1.1629999999E-8 2.6009999999E-8 5.817E-8 1.3009999999E-7 2.908E-7 6.5029999999E-7 0.000001454 0.0000032519999999 0.0000072709999999 0.00001626 0.00003636 0.00008129 11013-97-1 5284419 144213056 D Methyl hesperidin COc1ccc(cc1OC)[C@@H]2CC(=O)c3c(O)cc(cc3O2)O[C@@H]5O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]5O Tox21_302739 -NCGC00256904-01 196727378 tox21-ror-cho-viability-p1 set3 4 -0.43639743 1.73243943 2.24772814 0.4038302 5.27059497 1.64015017 -5.37636245 -5.1177356 -1.02745398 -4.80127068 -3.0871604 7.17006518 1.61729516 -2.91234164 1.30604248 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 1679-07-8 15510 144212992 Fns Cyclopentanethiol SC1CCCC1 Tox21_302675 -NCGC00256807-01 196727382 tox21-ror-cho-viability-p1 set3 4 0.37303 -6.65073968 -6.03701481 -1.70692084 0 -8.1445306 1.39794243 0.74872205 0.23117478 1.55820713 0.45216597 -0.7794514 -1.3419025 -5.70099244 -9.99894815 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25332-39-2 62935 144213002 A A Trazodone hydrochloride Cl.Clc1cccc(c1)N2CCN(CC2)CCCN3N=C4C=CC=CN4C3=O Tox21_302685 -NCGC00256999-01 196727390 tox21-ror-cho-viability-p1 set3 4 -1.93520155 -13.94892278 -0.68737411 -15.72867176 0 -10.43861836 -1.23501354 0 -3.30836402 -4.57179766 0 -1.83031764 0.41142445 -3.59551935 -3.70747931 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 13593-03-8 26124 144213587 A B Quinalphos CCOP(=S)(OCC)Oc1cnc2ccccc2n1 Tox21_303270 -NCGC00257394-01 196727394 tox21-ror-cho-viability-p1 set3 4 1.89526544 0.82718505 -0.28174499 -0.55498449 0.13251011 -0.31461592 1.74410141 2.94843907 2.93653567 4.89206975 4.27595506 1.5496809 0.84008555 1.97953311 0.49362669 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-96-6 20083 144213664 A A 2-Octanol CC(O)CCCCCC Tox21_303347 -NCGC00163735-04 196727395 tox21-ror-cho-viability-p1 set3 -2.4 28.9524664949 -23.50744486 0 -23.50744486 4.9549173134 0.8749709882 0.0016009638 0.7467887 1.10069071 2.8395283 1.64672513 -0.24044857 -1.81394463 0.10968565 -0.96516229 -3.86659345 -2.90581834 -0.58844443 4.27545793 -3.51817233 -21.25620405 -4.88384105 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00254766-01 196714167 tox21-ror-cho-viability-p1 set2 -1.3 1.9331181962 -89.6951296276 1.711127784 -87.9840018436 1.287561 0.9936083804 0.1300514422 -0.2575733 0.69660526 3.47408614 -0.32078187 1.27376131 0.74581147 0.09320404 1.32754511 -22.11937679 -40.94903591 40.52908903 -72.32735372 -85.12863263 -84.26443255 -89.41463602 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1897-45-6 15910 144211179 Chlorothalonil Clc1c(C#N)c(Cl)c(C#N)c(Cl)c1Cl Tox21_300862 -NCGC00254771-01 196714174 tox21-ror-cho-viability-p1 set2 4 -0.3870176 -0.22596005 -0.56060898 2.06519475 -0.2448128 -0.20172203 0.092145 1.07202324 -2.69531435 -0.04628478 3.74867145 -0.45800819 -0.26463862 2.00737406 -2.91475462 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 40487-42-1 38479 144211184 A A Pendimethalin [O-][N+](=O)c1c(C)c(C)cc([N+]([O-])=O)c1NC(CC)CC Tox21_300867 -NCGC00091632-02 196714180 tox21-ror-cho-viability-p1 set2 4 2.82241922 1.38756281 3.18105014 0.97485603 -0.55302062 1.33839007 1.96258389 0.38015613 2.84056451 3.53853362 0.52389662 3.34848649 3.51127364 2.73953986 1.53931622 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00255050-01 196714584 tox21-ror-cho-viability-p1 set2 4 0.32904156 1.45622251 1.89935928 1.24767699 1.77132777 2.34712154 1.16297367 1.35585567 -0.23252679 3.9007213 -0.83095305 4.20663459 7.49054985 1.33816989 4.7350859 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-20-0 33 144211469 D Chloroacetaldehyde ClCC=O Tox21_301152 -NCGC00254460-01 196714597 tox21-ror-cho-viability-p1 set2 4 -0.1269797 -0.43669338 1.62585602 0.99001893 -0.29785602 0.30031487 1.32340951 -0.39193003 1.34822088 0.17852282 0.77564948 4.2778063 3.37956095 0.82178285 6.95349082 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-71-6 7618 144210845 FNS Triethanolamine OCCN(CCO)CCO Tox21_300527 -NCGC00255054-01 196714599 tox21-ror-cho-viability-p1 set2 4 2.4311769313 7.223851488 -0.223851488 7 0.5 0.5735324895 0.1191464272 -0.74506799 1.62129778 -1.01987624 -0.07162902 1.44131824 0.81487908 0.12274332 2.24574782 3.98020664 3.00984054 0.58343983 4.31204422 9.92568272 3.32441486 5.38336359 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 23135-22-0 31657 144211473 A A Oxamyl O=C(C(=N\OC(=O)NC)\SC)N(C)C Tox21_301156 -NCGC00091380-04 196714602 tox21-ror-cho-viability-p1 set2 4 0.03560126 0.47555207 0.63652934 0.22026675 0.64527531 -0.08196859 1.76117299 0.35385362 1.96684356 3.71130725 2.09721647 2.76972434 5.24063464 2.42069235 4.45191331 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00254373-01 196715001 tox21-ror-cho-viability-p1 set2 4 -0.3722466 2.52500505 0.1079116 3.68611887 0.08651314 0.21191858 0.110719 2.29668346 1.41812998 0.10097583 0.230219 0.10087604 -0.03565502 -0.35659201 3.35555999 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 72-20-8 12358480 144210930 A A Endrin ClC1=C(Cl)[C@@]5(Cl)C(Cl)(Cl)[C@]1(Cl)[C@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@H]45 Tox21_300613 -NCGC00254657-01 196715003 tox21-ror-cho-viability-p1 set2 -2.2 26.4409424864 -64.8860132997 1.0956894199 -63.7903238798 3.6272481694 0.9910082632 4E-10 -0.29172883 1.36957375 1.84864185 2.51554514 1.75452499 -0.89997472 1.68541202 2.47095378 1.11320772 -1.0511049 -0.42305514 2.86030907 2.52744715 -17.82862465 -56.18279673 5.869E-10 1.312E-9 2.935E-9 6.5619999999E-9 1.467E-8 3.281E-8 7.3359999999E-8 1.64E-7 3.668E-7 8.202E-7 0.000001834 0.000004101 0.0000091709999999 0.00002051 0.000045849999999 41198-08-7 38779 144211069 Ac Ac Profenofos Brc1cc(Cl)c(OP(=O)(OCC)SCCC)cc1 Tox21_300752 -NCGC00254004-01 196715005 tox21-ror-cho-viability-p1 set2 -2.2 34.3762428541 -47.7105890736 -4.340198596 -52.0507876696 0.9999999999 0.9245236344 0.0000764142 -2.27005024 -6.35468635 -1.83854136 -0.28349883 -4.58487132 -11.08293491 -5.91601646 -10.03370846 -8.63957068 -6.20434968 -6.59620247 -11.81214072 -22.24915839 -29.10549513 -39.81120278 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1260-17-9 10255083 144210614 A A Carminic acid O[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)c4c(O)c3C(=O)c2c(C)c(C(=O)O)c(O)cc2C(=O)c3c(O)c4O Tox21_300294 -NCGC00163919-02 196715014 tox21-ror-cho-viability-p1 set2 4 -1.75124245 -0.54076123 -0.71558254 2.25901084 -1.68543756 3.52666204 2.35718534 -0.19784547 2.42502095 1.0396491 -2.17888881 3.17766534 2.52088339 4.13872535 -1.80004239 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00357214-01 196711298 tox21-ror-cho-viability-p1 set2 4 0.0096885416 10.711986616 -2.711986616 8 0.4 0.5597168771 0.12920958 -0.24908988 2.66959061 -0.59332218 4.35720154 4.65643659 1.82629771 8.03509779 7.03858266 8.93405223 4.14586168 4.37414486 4.61210506 8.40655452 7.26906852 11.64499641 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-90-8 5355853 251919844 A Geranyl propionate C\C(C)=C\CCC(\C)=C\COC(=O)CC Tox21_303994 -NCGC00258762-01 196715797 tox21-ror-cho-viability-p1 set2 -2.2 46.9327607292 -41.2899582143 -1 -42.2899582143 2.7202212143 0.9773653034 9.73E-8 -3.34558326 -1.27261955 -1.95049809 0.0007389 1.22608657 -2.23529267 -1.55835562 -0.66487789 -1.32356708 -0.50543272 -2.19231468 0.41794523 -0.71527179 -18.58543805 -35.82572592 1.1469999999E-9 2.566E-9 5.7369999999E-9 1.2829999999E-8 2.868E-8 6.414E-8 1.434E-7 3.2069999999E-7 7.1709999999E-7 0.000001603 0.000003585 0.000008017 0.00001793 0.00004009 0.00008964 5613-46-7 79717 144208408 A A 4,4'-Propane-2,2-diylbis(2,6-dimethylphenol) Cc1cc(cc(C)c1O)C(C)(C)c2cc(C)c(O)c(C)c2 Tox21_201210 -NCGC00258779-01 196715370 tox21-ror-cho-viability-p1 set2 4 1.14439078 0.11558448 -0.03932817 0.89526275 -1.762366 1.33964794 -1.71412327 -2.06679559 -0.1766128 -4.84120502 -0.1011593 -0.66598264 -1.82377756 -2.69219312 -3.44176294 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.00001842 0.0000412 0.00009212 4300-97-4 61345 144208425 A F 3-Chloro-2,2-dimethylpropanoyl chloride CC(C)(CCl)C(Cl)=O Tox21_201227 -NCGC00258314-01 196715376 tox21-ror-cho-viability-p1 set2 4 -0.49462471 -0.3164287 2.98962741 2.14534021 2.39796463 2.44771343 -0.90088403 0.59691019 2.65533789 0.59715344 1.47604009 5.83251143 -1.0132941 1.93074311 2.282239 1.1859999999E-9 2.651E-9 5.929E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008286 0.00001853 0.000041429999999 0.00009264 98-46-4 7386 144207958 A A 1-Nitro-3-(trifluoromethyl)benzene O=[N+]([O-])c1cc(ccc1)C(F)(F)F Tox21_200760 -NCGC00258338-01 196715379 tox21-ror-cho-viability-p1 set2 4 2.9617155 3.28099581 4.30369988 1.61349209 4.25748785 2.68710027 1.50834124 4.75447298 3.23340329 2.58310892 2.88867914 7.26667576 3.94302265 2.43265053 0.30889609 1.203E-9 2.69E-9 6.0159999999E-9 1.345E-8 3.0079999999E-8 6.726E-8 1.504E-7 3.3629999999E-7 7.52E-7 0.0000016809999999 0.0000037599999999 0.000008407 0.0000188 0.00004204 0.000094 NOCAS_20326 517277 144207982 Chromic oxide pigment O=[Cr]O[Cr]=O Tox21_200784 -NCGC00258428-01 196715800 tox21-ror-cho-viability-p1 set2 4 0.54365544 -0.35128349 0.47893791 -1.09385888 -0.25834201 -1.43395921 0.67179787 -1.29865152 -1.76501033 -0.82557351 -0.97673827 -0.34777674 -7.09214722 -6.05840024 -0.64368001 1.214E-9 2.7139999999E-9 6.0679999999E-9 1.357E-8 3.034E-8 6.7839999999E-8 1.517E-7 3.3919999999E-7 7.5849999999E-7 0.000001696 0.0000037919999999 0.00000848 0.00001896 0.000042399999999 0.00009481 75-66-1 6387 144208072 C 2-Methyl-2-propanethiol CC(C)(C)S Tox21_200874 -NCGC00258730-01 196715802 tox21-ror-cho-viability-p1 set2 4 1.89207651 6.80598959 4.77560305 3.35252799 2.21300749 3.91269161 5.03533653 4.08935476 5.36431174 1.94655624 6.49825467 2.26979142 1.38478318 1.00530695 4.84381103 1.149E-9 2.569E-9 5.7449999999E-9 1.285E-8 2.872E-8 6.4229999999E-8 1.436E-7 3.211E-7 7.181E-7 0.000001606 0.0000035899999999 0.000008028 0.00001795 0.00004014 0.00008976 594-72-9 11674 144208376 AC Fns 1,1-Dichloro-1-nitroethane CC(Cl)(Cl)[N+]([O-])=O Tox21_201178 -NCGC00258626-01 196716201 tox21-ror-cho-viability-p1 set2 4 4.28068456 1.28187476 2.99340727 2.22521773 1.11888072 2.58134052 2.9712503 -1.28802511 -0.17850311 1.49046976 2.28931733 0.53789435 0.23650025 2.6711611 -0.71851683 1.1859999999E-9 2.6519999999E-9 5.929E-9 1.326E-8 2.964E-8 6.629E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.0000037059999999 0.000008286 0.00001853 0.000041429999999 0.00009264 75-75-2 6395 144208271 A Methanesulfonic acid CS(=O)(=O)O Tox21_201073 -NCGC00257765-01 196716214 tox21-ror-cho-viability-p1 set2 4 0.91143028 3.82446326 3.35810306 2.98988673 2.80436268 5.5211991 0.49169786 1.79759572 0.72067985 1.9744878 2.77267644 1.95670773 4.59157331 3.71117554 -3.64323257 1.177E-9 2.6319999999E-9 5.8849999999E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.356E-7 0.000001645 0.0000036779999999 0.000008225 0.00001839 0.000041119999999 0.00009195 1152-61-0 2723942 144207409 A A N-[(Benzyloxy)carbonyl]-L-aspartic acid O=C(O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1 Tox21_200211 -NCGC00258113-01 196716218 tox21-ror-cho-viability-p1 set2 -3 65.8783591283 -80.6366757907 3.041585937 -77.5950898537 4.9549173134 0.9811693639 3.35E-8 1.30546145 4.31822885 0.05286897 2.06256018 0.33721659 4.49909302 5.1874295 4.1350165 1.816707 1.51857215 4.65755515 5.60074963 1.97907627 2.71821826 -63.56753163 1.141E-9 2.5509999999E-9 5.7039999999E-9 1.2749999999E-8 2.852E-8 6.377E-8 1.426E-7 3.189E-7 7.1299999999E-7 0.000001594 0.0000035649999999 0.000007972 0.00001782 0.000039859999999 0.00008912 1943-97-1 102724 144207757 A A 4,4'-Octahydro-1H-4,7-methanoindene-5,5-diyldiphenol Oc1ccc(cc1)C4(CC2CC4C3CCCC23)c5ccc(O)cc5 Tox21_200559 -NCGC00258745-01 196716613 tox21-ror-cho-viability-p1 set2 4 -1.39231776 -0.20521803 -0.93162976 -0.1866314 -1.9320012 0.38429671 -1.46232051 1.03011875 -0.48957769 -0.88849571 -0.36781875 -0.96366023 -0.43029466 -2.00678328 -1.89496199 1.2009999999E-9 2.686E-9 6.005E-9 1.3429999999E-8 3.003E-8 6.714E-8 1.501E-7 3.3569999999E-7 7.506E-7 0.0000016779999999 0.000003753 0.0000083919999999 0.000018769999999 0.00004196 0.000093829999999 1125-21-9 62374 144208391 A Ac 2,6,6-Trimethyl-2-cyclohexene-1,4-dione O=C1C=C(C)C(=O)C(C)(C)C1 Tox21_201193 -NCGC00257900-01 196716621 tox21-ror-cho-viability-p1 set2 4 -0.08746017 1.03026326 -2.91231564 -1.91124599 -2.52833708 -0.0963255 -4.2538674 -1.85972218 -2.28767387 -5.35043449 -1.8899007 -4.01948296 -1.21396619 -1.42338019 1.83989452 1.172E-9 2.621E-9 5.8609999999E-9 1.311E-8 2.931E-8 6.553E-8 1.465E-7 3.277E-7 7.327E-7 0.0000016379999999 0.0000036629999999 0.000008192 0.00001832 0.00004096 0.00009159 627-05-4 12302 144207544 A A 1-Nitrobutane [O-][N+](=O)CCCC Tox21_200346 -NCGC00091830-04 196716631 tox21-ror-cho-viability-p1 set2 4 3.14231081 1.55207654 2.08662016 1.13343201 3.27433254 2.72478363 1.6588 0.87826427 4.83046672 0.66485179 0.37203522 0.20942178 2.37194189 0.47871378 1.32204771 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00254310-01 196714153 tox21-ror-cho-viability-p1 set2 4 -2.90528544 0.85961171 -0.89576333 -1.1914674 -1.00615219 -1.21533307 -7.83392341 -8.81884367 -6.80206436 -6.72099092 3.32595036 -11.30517869 0.42559804 -0.03182553 1.24041022 8.8889999999E-10 1.988E-9 4.445E-9 9.938E-9 2.222E-8 4.969E-8 1.111E-7 2.485E-7 5.5559999999E-7 0.000001242 0.000002778 0.0000062119999999 0.000013889999999 0.00003106 0.00006945 126-14-7 31340 144210704 A A Sucrose octaacetate CC(=O)O[C@H]1[C@H](O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)O[C@]2(COC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O Tox21_300386 -NCGC00261975-01 196698165 tox21-ror-cho-viability-p1 set1 4 -4.00785655 -1.99926365 -0.60724467 -3.31152528 -0.87618076 -4.92079498 -1.98328089 -1.58455511 -0.01886053 1.08334381 -2.36710006 -2.44197192 -0.92157059 0.66669991 0.26872546 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17814-85-6 161236 170466747 A A (4-Carboxybutyl)triphenylphosphonium bromide [Br-].O=C(O)CCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3 Tox21_113895 -NCGC00260384-01 196723905 tox21-ror-cho-viability-p1 set3 4 0.0000841267 25.4037265879 -23.9037265879 1.5 0.5 0.4540103122 0.2205114487 -18.25310549 -0.30175658 -8.3239595 -12.73216217 -0.91095787 5.55408725 -10.30266129 0.25945115 1.97128336 4.89112656 0.81977917 -0.98523445 2.76975097 0.26163168 0.95390833 5.899E-11 1.319E-10 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 50-63-5 64927 144210036 Z A Chloroquine bis(phosphate) O=P(O)(O)O.O=P(O)(O)O.CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 Tox21_202838 -NCGC00094839-04 196698159 tox21-ror-cho-viability-p1 set1 4 -3.42976626 1.81369267 0.46708987 0.37209955 -6.90714115 -6.12864364 0.02849934 0.63685003 -5.15464932 -3.65804392 -4.57771492 -0.45773036 0.17899416 -3.76710884 3.95749224 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1188-37-0 70914 170466605 A N-Acetyl-L-glutamic acid O=C(C)N[C@@H](CCC(=O)O)C(=O)O Tox21_112308_1 -NCGC00016352-07 196698160 tox21-ror-cho-viability-p1 set1 4 -4.64847071 -0.35745437 -1.38072568 -3.38244907 1.58851418 -2.70539622 -0.34804153 -2.41164138 1.20019649 -1.5197969 -0.43888313 -1.89203819 0.84779382 -8.1137506 -3.71992999 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-09-7 2337 170465463 A Benzocaine Nc1ccc(cc1)C(=O)OCC Tox21_110391_1 -NCGC00024452-04 196698171 tox21-ror-cho-viability-p1 set1 4 -4.43596736 -3.23797253 1.38082014 -5.88281403 1.61821021 -1.00136293 -5.050681 -6.68686503 1.32057515 2.91875393 1.1163757 -3.78249124 0.59772732 -2.55460241 -3.24557124 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72599-27-0 51634 170464950 Z Miglustat OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCC Tox21_110830_1 -NCGC00183015-01 196698172 tox21-ror-cho-viability-p1 set1 -3 33.4914596268 -41.457509976 -2.5 -43.957509976 4.9549173134 0.9063456285 0.0002320404 -0.8384392 -0.50565538 -0.65757009 0.35199278 -4.54987778 -5.95211643 -3.54796375 0.60494768 0.24008985 -0.30460285 -0.71984339 -8.07817883 -7.38745798 -5.38155337 -37.04792498 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122341-38-2 60751 144206848 B C Temoporfin Oc1cccc(c1)c9c2CCc(n2)c(c3cccc(O)c3)c4ccc(n4)c(c5cccc(O)c5)c6C=Cc(n6)c(c7cccc(O)c7)c8ccc9n8 Tox21_113297 -NCGC00160546-02 196698175 tox21-ror-cho-viability-p1 set1 4 0.41836182 -1.7040216 -1.80803672 -2.23363038 -0.93309394 0.33093285 0.75695816 1.00361714 0.53159872 -0.78891807 -3.84895437 -1.04529534 -1.02896036 0.0449774 -0.65415757 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 321-55-1 9454 170466328 A Haloxon O=P(OCCCl)(OCCCl)Oc1ccc2c(c1)OC(=O)C(Cl)=C2C Tox21_111889_1 -NCGC00164127-03 196698574 tox21-ror-cho-viability-p1 set1 -2.1 54.4826732819 -110.1189749834 -0.046000183 -110.1649751664 1.92824246 0.9891377656 1.3E-9 -1.62714476 0.73528916 7.00168731 -0.76574051 -0.38204946 0.88640009 -1.15494757 -1.34187553 -1.94696971 0.7468331 0.50441262 -3.14966199 -14.60056661 -38.31269853 -83.45831452 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00159367-04 196722672 tox21-ror-cho-viability-p1 set3 4 -2.1148716 -1.36273279 -1.11592135 -0.52336525 -0.97581376 0.01982972 0.24414538 -0.04754901 -1.92187766 0.48657047 5.84857166 -2.96129993 -3.22354906 3.52475549 -0.16506186 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123-63-7 31264 170465660 F Paraldehyde CC1OC(C)OC(C)O1 Tox21_111607_1 -NCGC00164127-03 196722270 tox21-ror-cho-viability-p1 set3 -2.1 61.130564862 -104.4702781006 -4.675023159 -109.1453012596 3.5117481694 0.9743117602 2.004E-7 -7.84503234 -6.52782102 0.40116388 2.13996783 -4.9158577 -4.59012337 -3.98464659 -6.5694919 -4.28164808 -1.91621239 -5.38266688 -6.69949529 -14.69855309 -23.28520561 -89.61026376 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00258883-01 196722271 tox21-ror-cho-viability-p1 set3 4 0.0015433415 22.456697204 -21.956697204 0.5 4.9549173134 0.6570040104 0.0601888817 -18.29724767 7.76476132 -0.87312222 0.95665383 2.05787918 0.11116685 -0.01590049 1.01290896 1.26922942 1.8728578 4.2994048 -2.99567417 -6.26604893 -1.44549171 0.0892581 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.311E-7 7.405E-7 0.000001656 0.000003702 0.000008279 0.00001851 0.00004139 0.00009256 63-74-1 5333 144208529 A A Sulfanilamide Nc1ccc(cc1)S(=O)(N)=O Tox21_201331 -NCGC00025098-02 196722668 tox21-ror-cho-viability-p1 set3 4 0.2371013766 12.231058764 -5.231058764 7 1.34431 0.5677158024 0.1211971739 -3.91452926 1.98980314 -1.57611369 -11.05910638 -17.69254897 -0.43050187 0 0 -0.82515858 8.33984426 5.67375915 6.25398797 4.80974328 6.43965886 9.58125985 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_45676 45073437 170466636 A Loreclezole hydrochloride Cl.Cl\C(=C/n1cncn1)c2ccc(Cl)cc2Cl Tox21_110946_1 -NCGC00255356-01 196728229 tox21-ror-cho-viability-p1 set3 4 0.04798449 -3.29129536 -2.90137791 -3.58965986 -5.5046604 5.57573391 8.2079194 2.19129622 -4.9897443 2.8350354 -3.95259325 4.27530982 -4.60576356 -4.44985724 3.90900123 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 28772-56-7 54680085 144212237 A Bromadiolone Brc1ccc(cc1)c2ccc(cc2)C(O)CC(C3=C(O)c4ccccc4OC3=O)c5ccccc5 Tox21_301920 -NCGC00255777-01 196728214 tox21-ror-cho-viability-p1 set3 -2.4 68.5896218971 -36.803612804 1 -35.803612804 4.9549173134 0.7913945773 0.0094766538 -2.65444729 1.35069767 5.98368393 8.60954479 0.27064655 -0.48412827 -2.14804214 0.15830065 1.45075656 9.00904745 -2.42473314 -5.08476846 2.15972113 -1.74482498 -29.00301067 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-81-9 61059 144212562 F Ac Ethane-1,2-diyl bis(sulfanylacetate) O=C(OCCOC(=O)CS)CS Tox21_302245 -NCGC00090750-04 196728222 tox21-ror-cho-viability-p1 set3 4 0 4.38703282 -1.77540208 -0.29891332 -0.21347952 0.79031945 2.6418211 0.15555596 2.32361296 -0.65095554 1.91299384 -5.00747808 -3.78189384 -2.70054103 -5.57960524 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00255389-01 196728227 tox21-ror-cho-viability-p1 set3 4 7.79051933 7.35664732 1.87795002 -2.7067613 3.98291569 -5.3274511 -5.19926144 -3.98465736 -0.40605085 -2.36485242 7.19010191 13.619563 11.14710627 -3.01899538 0.42711038 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 366-70-1 9703 144212635 B D Procarbazine hydrochloride Cl.CC(C)NC(=O)c1ccc(CNNC)cc1 Tox21_302318 -NCGC00090942-03 196728233 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -130.1055327181 1.7543506709 -128.3511820472 4.9549173134 0.9636425236 0.0000014354 -4.66158942 -0.80540296 -5.71401953 0.4095201 7.97130157 5.48192138 0.48539221 -5.97179669 2.73041892 -0.34787813 2.96423439 12.60615689 7.98928433 -4.92248677 -104.35055451 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00256211-01 196728629 tox21-ror-cho-viability-p1 set3 4 2.25853724 -0.72645964 -1.13544864 0.47545384 -4.05864994 -4.75838536 0.19925363 4.29501806 0.84993572 -1.20027957 8.46032113 2.64721435 -2.43824842 3.49787253 0.8184016 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7005-47-2 23435 144211833 Ac 2-(Dimethylamino)-2-methylpropan-1-ol CN(C)C(C)(C)CO Tox21_301516 -NCGC00256197-01 196728633 tox21-ror-cho-viability-p1 set3 4 0 -2.19394564 8.65485725 7.02564125 10.64981815 4.64658057 2.87013447 -0.07009092 10.40842228 -0.3668389 -3.24266875 3.33030044 0.91777557 1.06330417 -3.05895473 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3278-89-5 76767 144212028 A Ac 1,3,5-Tribromo-2-(prop-2-en-1-yloxy)benzene Brc1cc(Br)cc(Br)c1OCC=C Tox21_301711 -NCGC00255541-01 196728640 tox21-ror-cho-viability-p1 set3 4 2.4336516212 -6.3062490599 5 -1.3062490599 3.0654483358 0.5485191213 0.1377962453 1.93494511 5.32744282 4.14031483 4.85612416 11.22084842 7.1713365 2.47058022 5.77787521 3.07467483 3.33383305 1.14029619 -6.50520755 0.76874596 0.59284111 -0.88459135 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2627-95-4 75819 144212043 Fns 1,3-Divinyl-1,1,3,3-tetramethyl disiloxane C[Si](C)(O[Si](C)(C)C=C)C=C Tox21_301726 -NCGC00257088-01 196727045 tox21-ror-cho-viability-p1 set3 4 0.79320657 -1.85648813 1.39268289 3.33225308 -0.58747277 3.08995795 2.60425697 0.46580422 -1.85169456 0.78923416 2.78020109 -0.41789249 3.56943704 1.6185559 0.92699148 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-19-0 7913 144213508 F A Imidodicarbonic diamide NC(=O)NC(N)=O Tox21_303191 -NCGC00179392-03 196726216 tox21-ror-cho-viability-p1 set3 4 0.34906633 5.46978386 5.68875353 6.87060466 9.38315704 1.58326206 5.5809096 -3.34892168 -1.87801054 -0.56193326 -2.35910754 10.86289317 -1.97678052 9.53782322 2.85512816 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4419-39-0 20469 170464981 F Beclomethasone OCC(=O)[C@@]4(O)[C@@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(Cl)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_112116_1 -NCGC00024609-02 196726223 tox21-ror-cho-viability-p1 set3 4 0.0066824247 12.5 1.5 14 4.9549173134 0.5290374523 0.153002118 2.44608132 0.75116536 2.35617232 7.2172987 19.01623702 18.51743154 15.93433623 0 12.94333802 12.04463862 12.43673754 11.81862869 12.76429489 20.39186464 18.49712738 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 70788-28-2 51173 170466495 A Flurofamide O=C(NP(N)(N)=O)c1ccc(F)cc1 Tox21_110912_1 -NCGC00256514-01 196726622 tox21-ror-cho-viability-p1 set3 4 -1.8210674 0.13148531 2.03252245 1.43456532 2.22874374 1.66308268 4.52589598 2.64449071 0.01244903 4.78346307 0.7960611 0.30713434 4.00363712 0.1406921 1.70992424 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 134-29-2 8638 144213124 A C 2-Methoxyaniline hydrochloride Cl.Nc1ccccc1OC Tox21_302807 -NCGC00257276-01 196727052 tox21-ror-cho-viability-p1 set3 4 -0.3474153 5.16432647 -3.4473089 0.92927452 4.6466237 -1.06240555 -0.194496 -3.09388284 -4.57865158 -5.41529649 0 -0.02947546 -0.15748242 0.45258063 -2.67376542 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 25377-73-5 32933 144213732 A A 3-(Dodecenyl)dihydro-2,5-furandione O=C1OC(=O)CC1C=CCCCCCCCCCC Tox21_303421 -NCGC00257636-01 196715422 tox21-ror-cho-viability-p1 set2 4 -0.56785413 -6.57774485 -4.41508093 -2.69716135 -1.46430187 -0.61968225 0.52588247 -3.11418649 -2.25721402 -4.90381115 -2.54942959 -1.35553229 0.30176941 -5.13331112 -0.33784308 1.185E-9 2.6499999999E-9 5.9249999999E-9 1.325E-8 2.962E-8 6.6239999999E-8 1.481E-7 3.312E-7 7.406E-7 0.000001656 0.0000037029999999 0.0000082799999999 0.00001852 0.0000414 0.00009258 76-57-3 5284371 144207280 A A Codeine COc1ccc2C[C@H]4N(C)CC[C@@]35[C@@H](Oc1c23)[C@@H](O)C=C[C@@H]45 Tox21_200082 -NCGC00258148-01 196715436 tox21-ror-cho-viability-p1 set2 -2.1 54.9262221145 -108.9626730848 -1.489090852 -110.4517639368 1.713743691 0.9820373311 2.55E-8 -2.96887449 1.21532978 0.02274554 0.00774431 0.63915759 -0.19488094 -0.81163155 -0.77432184 -0.8513844 -2.98512097 -4.74795953 -8.66914905 -21.37280265 -36.66642446 -83.67557874 1.188E-9 2.6549999999E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 404001-48-5 53316407 144207792 A A 1-Dodecyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C[n+]1ccn(CCCCCCCCCCCC)c1 Tox21_200594 -NCGC00258754-01 196715850 tox21-ror-cho-viability-p1 set2 4 7.8448206608 -12.7679609039 1 -11.7679609039 1.98874246 0.9141593746 0.0002915451 -0.26212041 0.59253921 1.60426851 0.75109541 0.16492979 1.21890752 -0.3016076 2.7503038 1.54149997 0.54562341 -2.98835133 -3.49240351 -11.88996742 -10.12255814 -3.72164806 1.1989999999E-9 2.6809999999E-9 5.995E-9 1.3409999999E-8 2.998E-8 6.703E-8 1.4989999999E-7 3.351E-7 7.494E-7 0.000001676 0.000003747 0.000008378 0.00001873 0.00004189 0.00009367 107-15-3 3301 144208400 Ethylenediamine NCCN Tox21_201202 -NCGC00258009-01 196716252 tox21-ror-cho-viability-p1 set2 4 2.59865533 3.63310598 -1.04216646 0.86613338 3.23139672 1.22392028 3.54749794 0.48845367 3.86212833 3.29669738 -1.16392883 1.07508463 0.65192456 -0.76174323 1.29006541 1.208E-9 2.7009999999E-9 6.04E-9 1.3509999999E-8 3.02E-8 6.753E-8 1.51E-7 3.3769999999E-7 7.551E-7 0.0000016879999999 0.000003775 0.000008442 0.00001888 0.00004221 0.000094379999999 1779-48-2 6327116 144207653 A A Phenylphosphinic acid O=P(O)c1ccccc1 Tox21_200455 -NCGC00258452-01 196716257 tox21-ror-cho-viability-p1 set2 4 -2.18346163 -0.8937038 0.49833788 -1.33220596 1.33713657 -0.36867944 0.02421046 0.57146595 -0.54254969 0.92282505 0.78183371 0.29073831 -1.33704034 1.40118751 0.87935074 1.158E-9 2.589E-9 5.789E-9 1.2939999999E-8 2.894E-8 6.472E-8 1.447E-7 3.2359999999E-7 7.2359999999E-7 0.000001618 0.000003618 0.0000080899999999 0.000018089999999 0.00004045 0.00009045 109-57-9 1549517 144208096 A D Allylthiourea NC(=S)NCC=C Tox21_200898 -NCGC00258363-01 196716264 tox21-ror-cho-viability-p1 set2 -1.1 9.7674169857 -94.8782895831 2.020596595 -92.8576929881 3.5117481694 0.9954991074 0 2.60719752 3.75708014 -0.48461354 1.77366513 1.30018833 1.81775325 2.10550948 1.07052914 -0.91382789 2.31575643 2.60852211 -32.65129498 -89.90369596 -88.25065615 -91.03695391 1.188E-9 2.656E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.639E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.000003712 0.000008299 0.00001856 0.0000415 0.00009279 654057-97-3 16218822 144208007 A A Trihexyltetradecylphosphonium bromide [Br-].CCCCCC[P+](CCCCCC)(CCCCCC)CCCCCCCCCCCCCC Tox21_200809 -NCGC00258180-01 196716269 tox21-ror-cho-viability-p1 set2 4 0.04651012 1.35435611 1.93752722 0.12064949 1.50835232 5.8806704 1.04478637 0.05264212 1.34747214 0.45569148 1.65988205 3.27628375 0.62477165 1.43589051 -0.88832051 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.303E-7 7.387E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 4186-68-9 12059921 144207824 F 1-Ethyl-1-methylpyrrolidinium iodide [I-].C[N+]1(CC)CCCC1 Tox21_200626 -NCGC00258674-01 196716663 tox21-ror-cho-viability-p1 set2 4 -1.64872529 -0.42673301 0.59818862 0.93064122 0.00926305 2.33873633 -0.34527261 -1.05756902 1.69155303 1.60817464 3.81902074 1.3100279 1.55413502 -2.50699684 2.75100046 1.189E-9 2.658E-9 5.9439999999E-9 1.3289999999E-8 2.9719999999E-8 6.646E-8 1.486E-7 3.323E-7 7.4299999999E-7 0.0000016609999999 0.0000037149999999 0.000008307 0.000018579999999 0.00004154 0.000092879999999 1141-38-4 14357 144208320 A A 2,6-Naphthalenedicarboxylic acid O=C(O)c1ccc2cc(ccc2c1)C(=O)O Tox21_201122 -NCGC00016000-13 196716671 tox21-ror-cho-viability-p1 set2 -2.3 78.7623658459 -84.7404360812 -6.489667699 -91.2301037802 0.9999999999 0.6731362959 0.0509929516 0.43721664 -3.6720561 -4.46811899 -6.79190713 2.28364484 2.49183272 -9.23650414 -12.81049928 -20.3806093 -19.40868896 -13.67406026 -20.74372471 -12.30944356 -16.46718275 -72.40484427 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00016393-07 196712958 tox21-ror-cho-viability-p1 set2 4 -3.96042933 -3.92760863 -1.99436214 -0.58126524 -0.43245712 -0.94911333 -1.24883214 -6.44944646 -0.64290053 -0.1499719 -0.83534322 -0.98071998 -1.02267795 -0.0885341 -1.53481231 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 131-53-3 8569 170465540 A 2,2'-Dihydroxy-4-methoxybenzophenone O=C(c1ccc(cc1O)OC)c2ccccc2O Tox21_110417_1 -NCGC00090858-02 196712552 tox21-ror-cho-viability-p1 set2 4 0.143232 -0.94958105 2.01414733 -0.16958929 0.64071654 0.81758671 -0.74641088 1.29566147 1.5221356 0.99919966 0.50259805 1.68249941 1.31439602 1.96278375 0.83091619 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00160631-02 196712951 tox21-ror-cho-viability-p1 set2 4 4.7433622 0.76270749 4.97131116 0.94729204 0.3329084 -0.29648641 0.51231356 -0.09561206 5.94716838 1.0908959 2.05886305 1.00085141 0.5096404 1.55081564 4.64535468 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52-85-7 5859 170466840 A Famphur O=S(=O)(N(C)C)c1ccc(OP(=S)(OC)OC)cc1 Tox21_111946_1 -NCGC00178024-05 196712957 tox21-ror-cho-viability-p1 set2 4 -0.99121286 -5.23079861 -0.51709144 -3.64500598 0.67250322 -0.11503348 1.27031876 0.22933881 0.34889429 0.20421411 0.11181554 2.17883666 2.80741629 4.49538438 -0.04117225 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33402-03-8 60196269 170465256 Z Metaraminol bitartrate O[C@H](c1cc(O)ccc1)[C@H](C)N.O=C(O)[C@H](O)[C@H](O)C(=O)O Tox21_110778_1 -NCGC00166118-02 196717455 tox21-ror-cho-viability-p1 set2 4 0.0007497804 15.459947604 -17.459947604 -2 0.7999999999 0.6287204256 0.0785004844 -12.88328967 -3.84836073 -7.35133845 -4.45593674 -3.46642739 -3.85118534 -1.52463112 1.66724384 -3.95111326 -1.78724235 -0.44465762 -4.69683547 -1.47502735 -1.59050707 -3.53383107 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3731-52-0 31018 170466447 Z 3-(Aminomethyl)pyridine NCc1cccnc1 Tox21_112325_1 -NCGC00178790-03 196717445 tox21-ror-cho-viability-p1 set2 4 0.0460903204 5.1937368599 -3.1937368599 2 4.0949729863 0.5213926681 0.1613547019 -2.07020153 -1.9500556 -6.82811405 -2.61367615 -0.96193907 -5.52764136 -1.05616669 0.28461973 4.98982047 -0.31391088 4.84183931 0.54055657 -1.1689217 -0.5291807 5.63537128 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 29701-07-3 636396 170466137 D Bekanamycin sulfate O=S(=O)(O)O.N[C@@H]3[C@@H](O)[C@H](O)[C@@H](CN)O[C@@H]3O[C@H]2[C@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O)[C@H](N)C[C@@H]2N Tox21_113188_1 -NCGC00164619-02 196717451 tox21-ror-cho-viability-p1 set2 4 1.00240918 -0.14525059 1.39024105 1.15427284 1.87327148 0.85386297 1.85928561 0.59188669 2.03056437 0.08618287 2.83926899 -0.55138016 0.55966668 -1.62374465 0.42942932 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 120511-73-1 2187 170464923 A Anastrozole N#CC(C)(C)c1cc(cc(c1)C(C)(C)C#N)Cn2cncn2 Tox21_112238_1 -NCGC00253679-01 196717454 tox21-ror-cho-viability-p1 set2 4 7.4978038628 -14.3516974599 4 -10.3516974599 0.6 0.719904879 0.0300882604 2.84038695 0.84854506 2.43192302 4.01173736 6.99344889 5.12720369 6.41647239 5.04971911 -2.24587682 -0.60012419 -1.76923249 -1.69265744 -1.70904855 -3.89350117 -8.62641455 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 76283-09-5 2733660 170466711 F A 4-Bromo-1-(bromomethyl)-2-fluoro-benzene BrCc1ccc(Br)cc1F Tox21_113803 -NCGC00094719-08 196717862 tox21-ror-cho-viability-p1 set2 4 2.14935188 2.31721857 1.37579298 1.46491155 3.16076207 3.34513319 6.6348319 2.71800424 0.8663942 6.04781374 0.85823872 0.09755277 1.22945527 0.75154059 2.77369288 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 100-97-0 4101 170465468 Z Methenamine C1N3CN2CN(CN1C2)C3 Tox21_113455_1 -NCGC00253661-01 196717863 tox21-ror-cho-viability-p1 set2 4 1.95334138 -0.56632602 1.24275591 1.53524696 3.13751892 4.01713464 5.61454988 5.98191421 -0.86522722 1.58061628 8.26577789 1.39616065 1.50875028 0.66857851 1.42943027 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 85-90-5 66569 170466212 A A Methylchromone O=C1c2ccccc2OC=C1C Tox21_113786 -NCGC00091278-03 196717869 tox21-ror-cho-viability-p1 set2 4 0.216899429 7.743555748 -6.243555748 1.5 0.9999999999 0.3944430989 0.2944123288 -4.47411782 0.33334261 -16.86962979 -5.60203037 -4.11617304 0.21601875 -7.59223673 -0.59147001 -0.31807012 1.35496289 1.36975574 1.05074133 1.16651743 1.1838406 -6.65890537 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00090910-03 196717872 tox21-ror-cho-viability-p1 set2 4 0.0101534463 -26.836635424 28 1.163364576 0.6 0.9485001553 0.2200697258 70.41771411 20.20692659 16.50901645 11.6809422 11.81590828 5.67043075 7.33481172 5.2039371 4.21391358 1.89855277 3.48365568 0.15294365 -0.28052952 3.07667702 0.71242276 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00015716-09 196717873 tox21-ror-cho-viability-p1 set2 4 0.0668242473 17.151298844 -13.651298844 3.5 0.3 0.6642636101 0.056273725 -6.78797904 -10.4535393 -13.87608237 -12.25774511 -1.79594903 -2.92591522 -4.87734746 -3.17367534 -3.11137433 -4.27943386 -0.23205029 -1.70644617 -0.18457407 -0.71125622 3.84598124 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 447-41-6 4567 170465637 A Nylidrin OC(c1ccc(O)cc1)C(C)NC(C)CCc2ccccc2 Tox21_110204_1 -NCGC00258539-01 196715395 tox21-ror-cho-viability-p1 set2 -2.4 27.5839434439 -20.523021564 -1.5 -22.023021564 4.0949729863 0.9453451438 0.0000137487 -0.55952914 -1.25050075 -4.70337381 -2.91274762 -2.61425325 0.74262447 -0.22949135 -2.74070484 -2.6230252 0.94159188 0.37613903 -0.21094584 -5.49436237 -18.39821481 -22.10251797 1.19E-9 2.661E-9 5.95E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003719 0.000008315 0.00001859 0.00004158 0.00009297 117-10-2 2950 144208184 A A Danthron Oc3cccc2C(=O)c1cccc(O)c1C(=O)c23 Tox21_200986 -NCGC00254247-01 196714986 tox21-ror-cho-viability-p1 set2 4 0.29114816 0.46312655 3.80032325 2.74942255 -0.10300849 1.07751903 0.08580044 0.55181925 2.46591182 -0.03310373 0.00011512 1.70909818 1.54270239 1.09693776 2.37847895 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 828-00-2 13232 144210732 A Bc Dimethoxane O=C(C)OC1CC(C)OC(C)O1 Tox21_300414 -NCGC00090708-05 196714995 tox21-ror-cho-viability-p1 set2 -2.2 24.3365162115 -37.5255444999 0 -37.5255444999 1.287561 0.971444983 3.676E-7 0.52191803 -0.08151493 1.70762597 0.68836563 -1.23297381 0.0479339 -4.01066898 -0.42762062 2.19453513 -0.55763222 -1.62496923 -7.98290797 -17.66997936 -22.27855922 -32.93795375 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00257740-01 196715393 tox21-ror-cho-viability-p1 set2 4 -1.07825824 -0.4833629 0.36311577 0.80724627 4.17917166 0.43071052 0.22566928 3.11654002 0.6114186 -1.71731724 -1.15397306 3.54395187 -0.44390899 1.10098776 3.85964151 1.1699999999E-9 2.6159999999E-9 5.85E-9 1.3079999999E-8 2.925E-8 6.54E-8 1.462E-7 3.27E-7 7.3119999999E-7 0.000001635 0.000003656 0.000008176 0.00001828 0.00004088 0.00009141 25013-15-4 7529 144207384 AC F Vinyltoluene Cc1cccc(C=C)c1 Tox21_200186 -NCGC00090942-03 196699825 tox21-ror-cho-viability-p1 set1 -2.1 61.130564862 -108.8202398522 -4.032491948 -112.8527318002 2.8472712143 0.987391764 3.2E-9 -6.55946307 -4.05630864 -0.90277997 -0.22121671 -6.15833034 -2.50023397 -4.21197743 -1.97969566 -2.98115426 -4.65227853 -8.10377607 -3.9850716 -11.65258646 -27.78984366 -87.89153567 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00254361-01 196699000 tox21-ror-cho-viability-p1 set1 4 0.17712873 6.11078111 -2.87658219 -0.02112997 4.99329933 2.62131055 4.4358932 0.01802043 0.75850762 -3.04812419 -2.08918091 0.18591675 4.18440862 4.69828408 4.66247828 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3871-99-6 23678874 144210714 PFHS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300396 -NCGC00254843-01 196699001 tox21-ror-cho-viability-p1 set1 4 0.03289976 -2.06579058 -0.98345688 -0.65222663 0.38970948 -2.03445182 -1.29419879 -0.73647666 0.69874835 -1.31555673 -0.69312551 2.55554478 5.43034724 2.48743516 0.75030151 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-72-9 61016 144211258 FNS 2,6-Dimethylhept-5-enal CC(CC\C=C(\C)C)C=O Tox21_300941 -NCGC00254880-01 196699398 tox21-ror-cho-viability-p1 set1 4 -3.14482144 -1.79938841 -0.15573859 0.4222721 1.19594066 -1.40709743 -2.65040617 0.07172799 1.17840454 -1.97568243 -1.30317004 -1.44057696 0.09073383 -0.04247183 -4.5800908 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56578-18-8 5283292 144211295 A A (E)-5-Decen-1-ol CCCC\C=C\CCCCO Tox21_300978 -NCGC00254245-01 196699830 tox21-ror-cho-viability-p1 set1 4 68.5896218971 11.395465896 -0.895465896 10.5 4.5044702849 0.7448120678 0.0217597811 -4.49622158 -0.62972217 -2.16949167 0.29804223 -0.71581951 -0.57731064 -0.17047313 -0.08604228 -0.06581202 -0.05656948 -3.65088482 -0.85840762 -0.12933525 0.15379644 8.11180795 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2144-53-8 75066 144210924 A Tridecafluorohexylethyl methacrylate FC(F)(CCOC(=O)C(=C)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300607 -NCGC00255015-01 196699832 tox21-ror-cho-viability-p1 set1 4 12.1971512362 16.8096350559 -5.8096350559 11 0.2 0.6013453214 0.0973875678 -5.67469588 -3.12700471 -1.36115424 -4.0766886 -1.34356648 0.01843456 1.33482011 1.41953533 -2.5006849 1.99515722 1.58677053 -0.29424313 1.42220311 1.13276402 8.56928747 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-13-5 7738 144211432 A A (4-Methoxyphenyl)methanol COc1ccc(CO)cc1 Tox21_301115 -NCGC00260435-01 196723931 tox21-ror-cho-viability-p1 set3 4 -4.38255595 -3.40593387 0.64376894 -0.87546246 1.18778327 -9.03296529 2.68618067 3.92512482 4.11598069 -7.66021721 -7.54477958 -1.9646489 1.86545648 -2.2893322 2.46781951 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.954E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3839999999E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.0000923 1271-24-5 79154 144210087 Fns Bis(eta(5)-2,4-cyclopentadien-1-yl) chromium [Cr+2].[c-]1cccc1.c1[c-]ccc1 Tox21_202889 -NCGC00164546-02 196723505 tox21-ror-cho-viability-p1 set3 2.2 18.8336317891 58.3982659377 4.533565819 62.9318317567 0.6 0.7908636423 0.0095543589 11.80395962 5.01470068 -0.16393721 1.59035111 3.78966769 4.83195553 3.37343591 12.75947473 6.32476077 16.66519743 21.65421568 26.01985569 13.96267586 27.88613621 52.53315808 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 106560-14-9 65894 170466271 A Fropenem O=C2N1C(=C(S[C@@H]1[C@H]2[C@@H](C)O)[C@H]3CCCO3)C(=O)O Tox21_112175_1 -NCGC00178382-03 196723513 tox21-ror-cho-viability-p1 set3 4 0.118832183 -8.8446302159 5.5 -3.3446302159 4.9549173134 0.3698456568 0.3168996409 -3.2287443 4.38472615 18.60018135 -3.5418105 6.65541209 6.66859626 7.2947513 -4.15464298 2.27573131 -2.51948391 -3.98678481 -4.95522661 -6.12052518 -1.38841518 15.1690434 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6411-75-2 44134533 170466510 Ac 2-Aminoheptane sulfate NC(C)CCCCC.O=S(=O)(O)O.CC(N)CCCCC Tox21_111333_1 -NCGC00094521-05 196723928 tox21-ror-cho-viability-p1 set3 4 0.5448267328 4.8283867999 -2.3283867999 2.5 4.9549173134 0.3537411985 0.3339111533 -0.47211046 -6.35278514 3.10896245 -0.93398813 -0.95635625 -7.356989 -1.41199468 -3.03742206 2.55707722 0.0299122 4.89423835 7.13575285 3.05931406 -2.39026669 -10.18676239 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00260292-01 196723936 tox21-ror-cho-viability-p1 set3 4 0.3934583124 -5.848747012 3 -2.848747012 2.8472712143 0.6051546946 0.0943567564 2.05097652 3.41968802 0.77099278 6.09693925 2.0664916 -0.10083169 6.01700237 4.11380685 1.85756253 0.15327373 -1.9243718 -6.54062251 1.61673947 -3.54767457 -4.35496748 2.8449999999E-10 6.361E-10 1.422E-9 3.1809999999E-9 7.112E-9 1.59E-8 3.556E-8 7.9519999999E-8 1.778E-7 3.976E-7 8.89E-7 0.000001988 0.000004445 0.00000994 0.00002223 142-77-8 5354342 144209942 Fns 9-Octadecenoic acid (9Z)-, butyl ester O=C(CCCCCCC/C=C\CCCCCCCC)OCCCC Tox21_202744 -NCGC00159469-04 196697760 tox21-ror-cho-viability-p1 set1 4 -1.03204165 -0.31615541 -1.19127748 -1.36032123 -1.10665921 -1.33950997 0.66881241 -2.41655449 -0.02566393 -0.17821241 -1.44472131 -0.61616559 -1.33634381 1.23081196 5.35917054 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 93-30-1 4117 170465530 A Methoxyphenamine COc1ccccc1CC(C)NC Tox21_113045_1 -NCGC00255563-01 196728303 tox21-ror-cho-viability-p1 set3 4 2.57709703 -3.40478048 6.40966093 5.71697089 0.69473882 6.06605391 -1.90914163 7.3892048 1.60935129 2.32585135 1.49450006 0.86149368 -2.83964368 -1.13225956 1.37075896 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-35-6 13708 144212326 A D Methylparaoxon [O-][N+](=O)c1ccc(OP(=O)(OC)OC)cc1 Tox21_302009 -NCGC00257958-01 196729895 tox21-ror-cho-viability-p1 set3 4 1.01770419 0.30501065 0.3910558 0.6546374 1.58828233 0.27698488 0.90335003 1.49642534 1.98500714 -0.86724122 -0.78411425 1.30145561 1.68721456 3.63341526 -1.14825773 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.00009175 78-86-4 6563 144207602 FC 2-Chlorobutane CC(Cl)CC Tox21_200404 -NCGC00163735-04 196730296 tox21-ror-cho-viability-p1 set3 4 115.2618451681 -13.4000856 -0.5 -13.9000856 0.4 0.4094204254 0.2656128796 2.09968746 0.35874103 -2.92375048 1.99090939 -4.91976791 -3.34833276 2.22230555 -3.9597476 -4.52753515 -0.02984326 -3.85426485 -3.22370786 -4.48807507 -3.01036314 -9.916738 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00255500-01 196727883 tox21-ror-cho-viability-p1 set3 4 -1.50181256 -0.3294594 -1.25418538 -3.17783144 -0.76802043 -1.30327096 7.03883071 -1.07662647 -0.85423363 -2.87491797 1.34095785 -3.46108797 -2.09760332 -0.42209402 0.31202445 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-36-9 222464 144212400 A B N-(2,4-Dimethylphenyl)-3-oxobutanamide O=C(Nc1ccc(C)cc1C)CC(C)=O Tox21_302083 -NCGC00255520-01 196728293 tox21-ror-cho-viability-p1 set3 4 43.2771256911 7.004096712 -1.004096712 6 3.9294729863 0.4677622389 0.2117750126 0.34803515 2.36444215 0.62986484 -3.71589033 -1.75347637 0.04211175 -1.03823511 -2.16523758 2.24445257 -1.87346625 -0.62601669 -2.56668246 -4.58674726 2.79837707 5.54038905 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 494-52-0 205586 144212269 A A L-3-(2'-Piperidyl)pyridine n1cc(ccc1)[C@@H]2CCCCN2 Tox21_301952 -NCGC00255704-01 196728298 tox21-ror-cho-viability-p1 set3 -3 62.2235341678 -77.048872092 3.659365459 -73.389506633 4.9549173134 0.8675109137 0.001263009 1.78905057 -0.8427328 -1.80373015 1.86129766 -1.21345675 2.98719725 7.70373258 10.61115655 -3.28093535 0.12371876 -3.96595111 16.35529741 13.18719115 4.88418744 -60.45739341 1.088E-9 2.432E-9 5.439E-9 1.216E-8 2.7189999999E-8 6.08E-8 1.36E-7 3.0399999999E-7 6.7979999999E-7 0.0000015199999999 0.000003399 0.000007601 0.000017 0.000037999999999 0.00008498 122-18-9 31202 144212396 A A Benzylhexadecyldimethylammonium chloride [Cl-].C[N+](C)(Cc1ccccc1)CCCCCCCCCCCCCCCC Tox21_302079 -NCGC00255297-01 196728304 tox21-ror-cho-viability-p1 set3 4 5.4482673282 8.8347360479 -0.3347360479 8.5 2.7867712143 0.4889422428 0.2058081499 0.43308442 -5.80322847 0.19989806 -1.95143535 -2.34415161 5.25489112 4.70999862 -6.11228004 3.98176643 -4.74026428 3.42593125 5.65821189 8.56952292 8.76014811 0.36796902 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77732-09-3 53735 144212170 A A Oxadixyl O=C2OCCN2N(C(=O)COC)c1c(C)cccc1C Tox21_301853 -NCGC00095042-06 196728728 tox21-ror-cho-viability-p1 set3 4 11.4592367467 21.7033009239 -1.7033009239 20 1.01 0.5753777034 0.1301558825 -0.30294462 6.0398987 0.87458186 -5.86453615 -6.00275077 -6.0003746 1.16767511 -4.74358619 2.74809185 -0.17507269 2.56157777 15.4438631 2.55695024 19.96395918 -0.48075725 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00255351-01 196729123 tox21-ror-cho-viability-p1 set3 -2.1 30.6378586933 -67.5705375619 3.7143711029 -63.856166459 4.0949729863 0.9554764826 0.0000044385 2.40557397 -1.45761541 -0.72856068 -0.08522681 14.64231882 4.43954154 4.01846919 2.49167847 -1.96960898 7.77674339 7.37961677 5.99757667 -6.10013478 -46.81494948 -71.07025912 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 61-73-4 6099 144212404 A A Methylene blue [Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C Tox21_302087 -NCGC00256104-01 196729127 tox21-ror-cho-viability-p1 set3 4 76.9588215421 11.848064936 -0.848064936 11 4.9549173134 0.536174037 0.1496471009 -1.74249679 4.69020886 -0.44633593 -2.243948 -0.4797036 0.16122989 1.20979195 -4.45672078 0.04668039 -2.58837681 -0.6596404 -1.17438693 -0.89821243 -0.6284026 7.64622876 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15332-99-7 84872 144212076 F Fns Ethenyl[tris(prop-1-en-2-yloxy)]silane CC(=C)O[Si](OC(=C)C)(OC(C)=C)C=C Tox21_301759 -NCGC00255640-01 196729136 tox21-ror-cho-viability-p1 set3 4 1.29488506 3.71194403 3.9280024 -11.81381177 -15.42525594 -0.06004441 -14.98457582 11.74195535 10.56759649 1.2210693 -10.18333687 1.79831293 15.16545223 11.4900505 2.312976 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-49-6 6480 144212345 A A 2-Methyl-2-nitro-1,3-propanediol [O-][N+](=O)C(C)(CO)CO Tox21_302028 -NCGC00091586-02 196729545 tox21-ror-cho-viability-p1 set3 4 -4.77544219 -0.89896329 1.77157715 -11.06753125 -4.64723481 -9.38935434 -26.21623016 0 -1.65395627 0 0 0 -6.37063563 -15.86192086 -17.47415706 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00160376-02 196717924 tox21-ror-cho-viability-p1 set2 1.4 0.0084126743 18.420550568 -19.920550568 -1.5 1.4641 0.8714527076 0.0011004008 -17.13309758 -22.43379214 -14.61034995 -12.88175686 -6.63710037 -3.2909036 -1.42625414 -7.0024689 -0.77700046 2.32653639 1.89101154 -0.73832609 -3.96658964 -4.90259154 -0.6020498 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2424-71-7 71518 170466064 A Metocinium iodide [I-].OC(C(=O)OCC[N+](C)(C)C)(c1ccccc1)c2ccccc2 Tox21_111772_1 -NCGC00254607-01 196714634 tox21-ror-cho-viability-p1 set2 4 -2.38247556 -7.46626455 -3.9794056 -3.51300376 -6.53599659 -2.35339422 -5.5937146 -3.84281189 -2.64843346 -6.19513614 -4.40367456 -5.57288711 -1.83089641 -1.69021574 -2.18169497 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-41-3 7652 144211016 A Ac Benzyl cinnamate O=C(OCc1ccccc1)C=Cc2ccccc2 Tox21_300699 -NCGC00244579-01 196714613 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -36.5094297893 -4 -40.5094297893 4.9549173134 0.8673135965 0.0012773857 -6.06600683 -6.20710404 -1.71160019 -2.21287406 -7.26805675 -7.79317251 -3.04862905 -10.06504484 -6.61471544 0.49488226 -3.38948405 -6.0363779 -4.61907899 -4.74661776 -33.73764269 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00254101-01 196714615 tox21-ror-cho-viability-p1 set2 4 -0.82069473 4.99103337 -0.63608012 4.69816191 3.79875208 -2.24823898 0.50367251 -2.49135843 0.27754871 -0.51779283 0.72614981 3.08609988 1.00262936 0.21691921 4.79057641 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-99-0 7473 144210337 A Ac 4-Nitrotoluene Cc1ccc(cc1)[N+](=O)[O-] Tox21_300017 -NCGC00254763-01 196714622 tox21-ror-cho-viability-p1 set2 4 1.18895327 -0.16570644 -0.62000845 -0.5632454 0.51999663 1.14462492 3.83361073 0.08038475 3.40936248 6.12234595 2.55708928 7.94881445 8.21890528 5.22449835 3.65715202 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 52-68-6 5853 144211177 A A Trichlorfon OC(C(Cl)(Cl)Cl)P(=O)(OC)OC Tox21_300860 -NCGC00257522-01 196715025 tox21-ror-cho-viability-p1 set2 4 -0.97618566 0.52642612 -0.56286579 -2.70983064 -0.60136418 -1.73766833 -2.5658297 -2.13938211 -0.30105403 0.79948216 -0.10305633 1.1155038 6.30218968 5.01881577 -6.74650539 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-33-5 5280567 144211232 A A 4-Methylumbelliferone Oc1ccc2c(c1)OC(=O)C=C2C Tox21_300915 -NCGC00254663-01 196715043 tox21-ror-cho-viability-p1 set2 4 -0.18835721 -0.48716611 1.10092672 0.5250048 0.50285586 -1.17039581 0.61976478 0.5151332 0.59554092 -0.20650738 -6.5695786 0.74681267 1.10900384 -5.12704762 -7.17670222 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-18-7 14871 144211076 A A 1-Monolaurin OCC(O)COC(=O)CCCCCCCCCCC Tox21_300759 -NCGC00254074-01 196715045 tox21-ror-cho-viability-p1 set2 4 -0.56358406 0.50085188 0.25476738 1.49925793 -0.74829784 1.63621397 1.25104712 0.36932826 1.00641402 0.74276792 0.56289917 3.45415187 4.87570848 3.4192218 2.25811967 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-44-7 6598 144210436 FNS Dimethylcarbamoyl chloride CN(C)C(Cl)=O Tox21_300116 -NCGC00258178-01 196715444 tox21-ror-cho-viability-p1 set2 4 62.6255833649 -14.4042289279 1.5 -12.9042289279 3.6772481694 0.7668771134 0.0151247991 2.38179789 -0.08759477 -1.04052892 -0.0124591 4.05672991 0 4.79096095 0.93979671 2.01274049 3.70489806 1.94536656 0 0.44978781 -0.88961815 -10.33685744 1.204E-9 2.692E-9 6.02E-9 1.346E-8 3.01E-8 6.7309999999E-8 1.5049999999E-7 3.366E-7 7.526E-7 0.000001683 0.000003763 0.000008414 0.000018809999999 0.000042069999999 0.000094069999999 933-78-8 13619 144207822 A A 2,3,5-Trichlorophenol Oc1cc(Cl)cc(Cl)c1Cl Tox21_200624 -NCGC00258337-01 196715459 tox21-ror-cho-viability-p1 set2 4 -0.72061271 5.42510806 5.3281209 1.61155468 -0.65477267 2.79708537 1.05995994 4.62626282 2.75024205 3.30114533 3.75176717 1.75387139 4.89945634 2.99088122 6.11007621 1.1379999999E-9 2.545E-9 5.6909999999E-9 1.2729999999E-8 2.8449999999E-8 6.363E-8 1.423E-7 3.1809999999E-7 7.114E-7 0.0000015909999999 0.0000035569999999 0.000007953 0.00001778 0.00003977 0.00008892 120-93-4 8453 144207981 A A Ethylene urea O=C1NCCN1 Tox21_200783 -NCGC00091839-03 196715872 tox21-ror-cho-viability-p1 set2 -2.2 27.3060203028 -29.1334203559 -1 -30.1334203559 2.3031167061 0.9568798223 0.0000037336 0.61037903 -1.60654964 -2.59956127 -1.79470657 -1.16106564 -4.00810276 -0.07785768 0.27154962 -3.8913337 1.62192167 1.30515293 -2.49024474 -10.06461195 -19.93173884 -30.11118363 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00258700-01 196715878 tox21-ror-cho-viability-p1 set2 4 17.1063602824 -6.233421372 1.5 -4.733421372 3.9294729863 0.3307625089 0.3569349662 1.84266008 3.46301114 0.93662635 -6.44451781 4.81006896 2.78892521 4.00943238 2.29732872 3.0128278 0.29834329 0.17493026 2.72151944 -2.31325949 -4.56946042 3.36103682 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.0000036659999999 0.000008198 0.00001833 0.00004099 0.000091659999999 7177-48-2 23565 144208346 FC Ampicillin trihydrate O.O.O.OC(=O)[C@@H]2N3C(=O)[C@@H](NC(=O)[C@H](N)c1ccccc1)[C@H]3SC2(C)C Tox21_201148 -NCGC00257775-01 196715881 tox21-ror-cho-viability-p1 set2 4 -1.95074745 -1.10309171 -0.01553231 0.14319806 3.5533154 -0.07210285 1.08618228 2.76188552 3.59516377 1.46557321 0.15248584 3.18277899 -1.43923096 0.02228525 0.76837035 1.149E-9 2.569E-9 5.744E-9 1.284E-8 2.872E-8 6.422E-8 1.436E-7 3.211E-7 7.1799999999E-7 0.000001606 0.0000035899999999 0.000008028 0.00001795 0.00004014 0.00008976 75-77-4 6397 144207419 FC Chlorotrimethylsilane C[Si](C)(C)Cl Tox21_200221 -NCGC00257629-01 196716645 tox21-ror-cho-viability-p1 set2 4 -4.00188731 -1.90295473 -5.73666068 -0.0447044 0.4783992 -1.14901714 -0.4759755 -1.99672657 -1.39217382 -1.72452929 -5.39985652 -3.76220387 -0.51775411 0.60757789 0.45363523 1.198E-9 2.679E-9 5.992E-9 1.34E-8 2.996E-8 6.6989999999E-8 1.4979999999E-7 3.3489999999E-7 7.4889999999E-7 0.000001675 0.000003745 0.000008373 0.000018719999999 0.00004187 0.00009362 95-79-4 7260 144207273 A A 5-Chloro-2-methylaniline Nc1cc(Cl)ccc1C Tox21_200075 -NCGC00255071-01 196719977 tox21-ror-cho-viability-p1 set3 4 0.0086349218 -19.0163600841 21.5 2.4836399159 0.7999999999 0.62261091 0.0813358064 14.27071796 17.43489938 19.39952578 14.34823867 -0.11498216 2.35630567 1.35664707 1.69701611 6.64985725 7.36739245 5.50778822 -2.93030007 5.9672816 0.66845187 4.67465476 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 127-41-3 5282108 144211490 A Fc alpha-Ionone CC1(C)CCC=C(C)C1/C=C/C(C)=O Tox21_301173 -NCGC00258546-01 196716653 tox21-ror-cho-viability-p1 set2 4 68.3804186691 -26.801481792 -1 -27.801481792 2.5334283767 0.9231302588 0.000085031 0.20010574 -1.32501372 -0.54495054 0.03023434 -1.64196862 -0.89784839 -0.06841207 -2.66609971 -1.79344114 -0.17853233 -2.2673176 0.38227863 -5.56992726 -5.36929287 -19.83456816 1.177E-9 2.6319999999E-9 5.886E-9 1.316E-8 2.943E-8 6.5809999999E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.000003679 0.000008226 0.00001839 0.00004113 0.000091969999999 131-53-3 8569 144208191 A A 2,2'-Dihydroxy-4-methoxybenzophenone O=C(c1ccc(cc1O)OC)c2ccccc2O Tox21_200993 -NCGC00258740-01 196716641 tox21-ror-cho-viability-p1 set2 -2.2 50.3905030438 -58.0812027752 -0.058009892 -58.1392126672 1.78848746 0.9888658482 1.6E-9 -0.30297384 -3.32454436 0.0796248 -0.0522128 -0.19216871 0.75222829 -0.32843341 -1.01276627 0.34125657 -1.71940368 1.15645296 -0.93584618 -10.29119945 -23.49804379 -44.42364596 1.2169999999E-9 2.7209999999E-9 6.084E-9 1.36E-8 3.042E-8 6.802E-8 1.521E-7 3.401E-7 7.604E-7 0.0000016999999999 0.0000038019999999 0.000008502 0.00001901 0.00004251 0.00009506 6863-58-7 23294 144208386 FNS Bis(2-butyl) ether CC(CC)OC(C)CC Tox21_201188 -NCGC00257832-01 196716647 tox21-ror-cho-viability-p1 set2 4 4.48529286 0.52786314 0.66437496 0.9191646 2.15608262 5.04883343 0.59916351 3.67741443 7.65993445 2.83980289 4.24227426 2.59979102 0.566096 0.13728602 8.55219421 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 108-24-7 7918 144207476 A F Acetic anhydride CC(=O)OC(C)=O Tox21_200278 -NCGC00258691-01 196716654 tox21-ror-cho-viability-p1 set2 4 5.72045962 7.19882455 4.45228087 3.70080349 3.27940566 0.22023426 -0.35831014 1.59276379 -1.14894854 4.83228685 5.89078612 4.69631245 1.45879291 2.81231876 4.27311536 1.196E-9 2.674E-9 5.9789999999E-9 1.337E-8 2.9899999999E-8 6.685E-8 1.4949999999E-7 3.3429999999E-7 7.4739999999E-7 0.000001671 0.000003737 0.000008357 0.00001869 0.000041779999999 0.00009343 6864-37-5 91555 144208337 I Ac 4,4'-Methylenebis(2-methylcyclohexanamine) CC2CC(CC1CCC(N)C(C)C1)CCC2N Tox21_201139 -NCGC00090750-04 196717063 tox21-ror-cho-viability-p1 set2 4 -5.40455882 -6.77824096 -3.16673896 -6.21183285 -6.94130201 0.96344793 2.05352277 1.05572234 -6.75663765 -4.25599359 0.50051183 -3.03587023 -3.2787078 -2.64037563 -2.26718731 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00160663-03 196717066 tox21-ror-cho-viability-p1 set2 4 -2.56922506 -3.78092154 -7.1757846 1.53263351 -2.1371703 -1.4885801 -0.72379771 -0.6762738 -3.72557195 -1.37681013 -7.9079048 -3.59121445 -3.71008345 -1.03778925 0.85268389 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21221-18-1 36663 170466368 A Flazalone O=C(C1CN(C)CCC1(O)c2ccc(F)cc2)c3ccc(F)cc3 Tox21_111968_1 -NCGC00166140-02 196717071 tox21-ror-cho-viability-p1 set2 4 -3.65262609 -2.42025264 -4.75357565 -1.97579751 -2.36062785 -3.7131621 -1.84267953 -1.58423274 -0.68177341 -1.6995987 0.49770155 -0.48008738 -1.10092612 2.43625542 -0.01865055 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10049-83-9 82325 170465839 A Pyrithioxin dihydrochloride Cl.Cl.Oc1c(CO)c(cnc1C)CSSCc2cnc(C)c(O)c2CO Tox21_112335_1 -NCGC00025014-03 196717073 tox21-ror-cho-viability-p1 set2 -3 33.4914596268 -87.760185584 -2.458970671 -90.219156255 4.9549173134 0.9852655725 8E-9 -4.509374 -5.78886671 -0.74455969 -4.45154507 -0.51047439 -6.08100444 -0.22555016 -0.83135212 -0.90552745 -0.93268744 0.45009596 -3.35981578 -4.74840765 -8.8279013 -79.13961075 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 102992-93-8 357904 170466162 A (+/-) -Niguldipine hydrochloride (1:x) Cl.[O-][N+](=O)c1cccc(c1)C2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OCCCN3CCC(CC3)(c4ccccc4)c5ccccc5 Tox21_112014_1 -NCGC00164525-02 196717078 tox21-ror-cho-viability-p1 set2 4 0.0011883218 15.3119175439 -15.8119175439 -0.5 0.5 0.6369302668 0.072905067 -12.34326462 -4.03928218 -7.45429295 -4.33049509 -6.44692169 -1.55336318 1.68852289 -2.06435024 -4.57638261 -2.04670333 -3.28872215 0.5378901 0.30848196 -0.4810771 1.10706201 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 140608-64-6 170465762 F Muromonab-CD3 Tox21_112156_1 -NCGC00164168-02 196717471 tox21-ror-cho-viability-p1 set2 4 32.2965172522 -12.9497092559 4.5 -8.4497092559 0.9099999999 0.6618128488 0.0579643504 2.18086357 1.94882009 3.67478926 3.10725581 6.21716688 5.55145107 8.1403959 7.78455179 0.06523933 4.48923604 1.33272033 1.84883472 -0.57000333 -1.10972854 -7.04142438 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00253625-01 196717480 tox21-ror-cho-viability-p1 set2 4 18.8336317891 -17.62261132 -1 -18.62261132 2.4063783767 0.6376474589 0.0717969021 0.50742699 -8.94881836 0.25639829 -2.00499201 -7.5815881 1.51241625 1.68758741 -2.91820151 3.0268991 -1.13115278 2.4933185 -0.22198468 -1.18822836 -11.74753623 -16.3521761 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83783-69-1 3019305 170466728 A A 1-(4-Fluorobenzyl)-1H-benzimidazol-2-amine Fc1ccc(cc1)Cn2c3ccccc3nc2N Tox21_113754 -NCGC00254241-01 196699430 tox21-ror-cho-viability-p1 set1 4 -0.03839162 0.72572727 -1.21896335 -2.66420601 -3.25350485 1.54042093 -2.60552838 -2.829603 2.54240994 2.10103886 -2.56455257 -0.07873022 -5.25643311 -3.59087451 -0.9609246 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 113734-18-2 18551400 144210757 A A CP-114271 OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c2csc(n2)C(F)(F)F Tox21_300439 -NCGC00254143-01 196699440 tox21-ror-cho-viability-p1 set1 4 -0.04259258 -1.59749116 2.14594797 0.16748952 3.70242806 1.18072069 2.63614657 1.19775285 -0.14970675 4.02831875 1.84215914 -1.79770886 0.45093495 -1.81468862 -0.06364858 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4098-71-9 169132 144210618 F Isophorone diisocyanate O=C=N\C1CC(C)(C)CC(C)(C1)C\N=C=O Tox21_300298 -NCGC00091632-02 196699019 tox21-ror-cho-viability-p1 set1 4 -0.32137896 0.23742641 -0.07156799 -2.15210348 -1.14626391 -1.0267111 1.7430387 -0.01798248 1.89835902 0.03996458 0.6679241 1.85133428 0.01883354 1.89326389 -6.78318669 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00254251-01 196699428 tox21-ror-cho-viability-p1 set1 4 -4.40377708 -8.89642822 -5.04187585 -6.63065251 -7.18752143 -7.69780809 -0.60551608 -3.4778413 -1.81340639 -4.46134335 -7.20369433 -0.72610793 -2.92691828 -3.78471787 -12.87069433 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 110235-47-7 86296 144210952 A A Mepanipyrim Cc2cc(nc(Nc1ccccc1)n2)C#CC Tox21_300635 -NCGC00254899-01 196699446 tox21-ror-cho-viability-p1 set1 4 0.49962217 -2.00268 6.65170516 -0.0245887 -1.41600332 -1.45599039 0.93167973 -5.89094083 -4.50199838 1.2486532 0.37928028 -2.05223709 -3.55985426 -4.18622958 8.0845321 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109293-98-3 23676752 144211314 A A Diflufenzopyr-sodium [Na+].Fc1cc(cc(F)c1)NC(=O)N\N=C(/C)c2ncccc2C([O-])=O Tox21_300997 -NCGC00255022-01 196699842 tox21-ror-cho-viability-p1 set1 4 1.82151004 0.94154998 -4.44715417 0.01712938 0.34055021 0.36511499 -0.6236965 -0.65698267 -3.72071127 -3.45753331 -0.28902418 1.43065119 3.13480155 0.20568701 -0.00910395 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-02-5 235414 144211440 A Ac Pentadecan-15-olide O=C1CCCCCCCCCCCCCCO1 Tox21_301123 -NCGC00254801-01 196699859 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -36.6544121199 -1 -37.6544121199 4.9549173134 0.9328109786 0.0000415379 0.05246688 1.08388725 -5.18813875 1.03819183 -0.56761839 0.81710482 0.86366411 -3.29803101 -0.462426 -0.84580614 -4.86613464 0.12729002 1.18422274 -3.59580922 -30.9620101 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81406-37-3 54745 144211214 A A Fluroxypyr-meptyl CC(CCCCCC)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl Tox21_300897 -NCGC00254345-01 196699865 tox21-ror-cho-viability-p1 set1 4 0.69204497 -4.04201635 0.04829139 0.30991416 1.38633982 -3.25686836 0.23166851 2.95424682 7.03073953 1.98707137 -2.69288503 2.24433654 2.11902728 -3.3101355 6.61803814 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-43-4 7810 144210664 FNS 4-Chlorotoluene Cc1ccc(Cl)cc1 Tox21_300346 -NCGC00255111-01 196700268 tox21-ror-cho-viability-p1 set1 -1.1 8.6349217992 -83.5718641552 -1.272914468 -84.8447786232 0.9999999999 0.9980401802 0 -2.26475313 -0.6352828 -1.90660417 -1.3508843 -1.22047023 -2.40753933 -1.06036268 -4.62688706 -9.4343199 -14.11975455 -25.28944112 -41.25556184 -58.31464177 -73.15473163 -75.74103388 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 129-17-9 8507 144212468 A Ac Sulfan blue [Na+].CC/[N+](CC)=C1/C=C/C(C=C1)=C(/c2ccc(cc2)N(CC)CC)c3ccc(cc3S([O-])(=O)=O)S([O-])(=O)=O Tox21_302151 -NCGC00255355-01 196700685 tox21-ror-cho-viability-p1 set1 4 1.90906803 -1.16145878 -0.35124788 0.56558875 0.88840334 1.24132999 0.34811012 0.0412194 1.4446236 5.60546556 0.72952639 1.13750198 -0.21319588 2.77653089 0.66997004 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 608-25-3 11843 144212290 A A 2-Methyl-1,3-benzenediol Oc1cccc(O)c1C Tox21_301973 -NCGC00255316-01 196701091 tox21-ror-cho-viability-p1 set1 4 2.36235607 -0.88919269 -1.1478943 1.22102746 0.32859386 -0.09508662 -0.55519344 2.50068254 3.1711358 4.28120112 -0.43739933 1.996865 0.80490235 3.79089573 1.58484239 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24526-64-5 4528 144212072 A A Nomifensine Nc3cccc1c3CN(C)CC1c2ccccc2 Tox21_301755 -NCGC00255292-01 196701096 tox21-ror-cho-viability-p1 set1 4 2.84685889 3.02006383 4.30375834 1.6657742 1.25729814 4.21072959 3.28948404 -2.43417787 2.28020949 3.97852169 3.17856295 3.98274239 0.69912305 4.50373504 2.94739255 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 791-28-6 13097 144212371 A A Triphenylphosphine oxide O=P(c1ccccc1)(c2ccccc2)c3ccccc3 Tox21_302054 -NCGC00255874-01 196701097 tox21-ror-cho-viability-p1 set1 4 5.39166289 -0.91887422 1.35177188 1.47380091 1.03766471 0.96832181 1.40288868 1.4313526 1.26233839 0.08851324 -0.92238027 -1.39257517 0.03532541 2.11460598 2.58395399 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.00001889 0.00004225 0.00009447 877-24-7 23676735 144211668 A A Monopotassium phthalate [K+].OC(=O)c1ccccc1C([O-])=O Tox21_301351 -NCGC00257761-01 196729958 tox21-ror-cho-viability-p1 set3 4 -1.04186039 3.45549836 0.63137621 3.2024376 0.0101682 0.43914227 1.14353674 2.83481268 -0.40152323 -0.9317733 1.41638472 0.40783553 1.92301685 1.05468467 -1.5442841 1.149E-9 2.569E-9 5.7449999999E-9 1.285E-8 2.8729999999E-8 6.4229999999E-8 1.436E-7 3.212E-7 7.182E-7 0.000001606 0.000003591 0.0000080289999999 0.00001795 0.00004015 0.000089769999999 106-88-7 7834 144207405 FNS 1,2-Epoxybutane CCC1CO1 Tox21_200207 -NCGC00258170-01 196729956 tox21-ror-cho-viability-p1 set3 4 0.0121728246 -21.34149194 -12.91696636 9.99082012 3.26042328 -0.79502317 -1.94910589 -0.30774391 1.76528901 2.88408925 -2.06154002 -0.66787207 3.27729267 4.26412795 6.05979709 1.27655399 1.1919999999E-9 2.6649999999E-9 5.959E-9 1.332E-8 2.979E-8 6.662E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.0000016659999999 0.000003724 0.0000083279999999 0.00001862 0.00004164 0.00009311 370865-80-8 16213711 144207814 A A 1-Butyl-1-methylpyrrolidinium dicyanamide CCCC[N+]1(C)CCCC1.N#C\N=C=[N-] Tox21_200616 -NCGC00090701-06 196729963 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -14.485548124 0.5 -13.985548124 4.9549173134 0.8823083766 0.0007401191 0.2599516 -0.93933489 1.29777949 0.24689061 1.50843504 2.34221321 0.3639571 0.76739287 -1.23943504 -1.09725067 2.0362292 0.50813872 1.88860753 -0.1161289 -11.23795677 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00164164-02 196730386 tox21-ror-cho-viability-p1 set3 4 2.13798166 -0.09896806 2.12080957 0.55210422 2.45995048 -0.20997837 1.06251572 0.82697729 -0.04925339 2.85102429 1.45936243 2.94231734 0.10337751 -2.64383125 -1.08209176 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00257607-01 196730392 tox21-ror-cho-viability-p1 set3 4 2.05200553 -17.49013629 0.03398436 0.03030693 -9.40833778 0.63421808 -0.62870794 -8.13983676 -19.08590506 -3.58530077 -19.52079107 -0.582874 -9.20022351 -10.42893036 -13.19781023 1.16E-9 2.5929999999E-9 5.799E-9 1.297E-8 2.9E-8 6.4839999999E-8 1.45E-7 3.2419999999E-7 7.2489999999E-7 0.000001621 0.000003625 0.000008105 0.00001812 0.00004052 0.00009061 17376-04-4 28503 144207251 C 2-Iodoethylbenzene ICCc1ccccc1 Tox21_200053 -NCGC00090704-03 196708422 tox21-ror-cho-viability-p1 set2 4 4.3277125691 12.2694539439 -0.7694539439 11.5 0.6 0.7824241558 0.0113905006 0.02672513 -0.33069621 -1.14771705 -3.14121162 2.07733098 -0.97774831 2.62439054 0.10411795 2.37959495 5.03560412 4.99252513 2.90182118 12.01363529 7.03703505 10.31629653 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00257212-01 196707591 tox21-ror-cho-viability-p1 set1 4 -0.67876073 -0.54957292 -1.15628448 -0.77838324 -1.36335119 -7.87083885 1.66212049 2.0605493 1.35443502 2.02227202 -1.10252302 1.5427486 1.51050637 -0.29647517 0.69475973 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-66-5 7713 144213626 A A 1,2-Diphenoxyethane C(COc1ccccc1)Oc2ccccc2 Tox21_303309 -NCGC00159460-04 196717106 tox21-ror-cho-viability-p1 set2 4 1.51008489 -5.70279159 -0.28940147 -2.40670661 1.57482451 -0.3188527 -2.66783783 -4.87313134 1.10003119 -3.00375918 -4.0547101 -1.01983203 -1.46821573 0.46608501 0.14755314 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 157810-81-6 5462355 170465228 A Indinavir sulfate O[C@H](CN1CCN(C[C@H]1C(=O)NC(C)(C)C)Cc2cccnc2)C[C@@H](Cc3ccccc3)C(=O)N[C@H]4c5ccccc5C[C@H]4O.O=S(=O)(O)O Tox21_111687_1 -NCGC00166323-02 196716696 tox21-ror-cho-viability-p1 set2 4 0.71936923 7.33079411 -5.15061327 -4.74463976 -0.34806381 -0.72593934 0.60901825 -2.56683045 -2.26164348 1.13593817 -2.5759855 -0.98994053 -0.33772884 1.35332261 -1.08449579 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 70-00-8 6256 170464911 A Trifluridine FC(F)(F)C1=CN(C(=O)NC1=O)[C@H]2C[C@H](O)[C@@H](CO)O2 Tox21_112411_1 -NCGC00164034-05 196716698 tox21-ror-cho-viability-p1 set2 -2.2 21.1316824289 -57.6593022841 -3.498176745 -61.1574790291 2.2526478767 0.9680480329 6.943E-7 -6.72342712 -6.05011076 -1.57484936 -5.5848524 -1.76696136 -4.32708989 -0.30430124 -1.44988991 -2.40664651 -2.56539702 -8.33370558 -4.31201474 -7.52403618 -34.78141045 -51.63445381 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 101-20-2 7547 170465481 A Triclocarban Clc2ccc(NC(=O)Nc1ccc(Cl)cc1)cc2Cl Tox21_112078_1 -NCGC00015793-10 196716699 tox21-ror-cho-viability-p1 set2 4 1.6145501 -1.87759964 -2.62842958 -0.13387147 -0.68071299 -0.71346677 -0.79521882 -0.72127331 -2.84052489 -2.20921887 -2.62843854 -2.33312889 -1.10967618 0.33151864 1.01933073 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 544-31-0 4671 170466102 A Palmitoylethanolamide O=C(CCCCCCCCCCCCCCC)NCCO Tox21_110222_1 -NCGC00018102-12 196717120 tox21-ror-cho-viability-p1 set2 -2.4 33.4914596268 -23.846280152 -2.926243784 -26.772523936 4.9549173134 0.9488269793 0.000009665 -1.57461235 -1.42158832 -3.49188404 -3.90847957 -1.45451999 -3.03534853 -2.18821484 -4.66801103 -3.3044616 -0.77186982 -3.12233208 -3.53682269 -4.82316798 -4.70275187 -22.72710328 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52468-60-7 941361 170466037 A Flunarizine Fc1ccc(cc1)C(c2ccc(F)cc2)N3CCN(CC3)C/C=C/c4ccccc4 Tox21_110825_1 -NCGC00262947-01 196717123 tox21-ror-cho-viability-p1 set2 4 2.72087488 3.47752099 -11.15864025 1.05649869 1.70001707 -0.62261772 -0.33919477 0.18560906 4.76444071 2.36557536 2.69601443 4.29353295 -0.09345062 2.66908309 4.21608578 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 136-44-7 8692 170466456 B A Glycerol 1-(p-aminobenzoate) Nc1ccc(cc1)C(=O)OCC(O)CO Tox21_113940 -NCGC00164586-02 196717532 tox21-ror-cho-viability-p1 set2 4 6.6824247267 20.174680544 -4.174680544 16 0.8999999999 0.8141899451 0.0083809022 -1.90390261 -6.46916612 -4.69715125 -8.89556712 0.33749282 -5.82200913 -4.39737963 -0.40116524 -0.89343022 -1.77433452 -0.66727417 3.50755779 7.14628357 11.57514122 3.96178658 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1248-42-6 121097 170466541 A Pitofenone hydrochloride Cl.O=C(OC)c1ccccc1C(=O)c3ccc(OCCN2CCCCC2)cc3 Tox21_112212_1 -NCGC00168464-04 196717534 tox21-ror-cho-viability-p1 set2 4 -4.66276068 -3.40632625 -4.52093752 -14.35946303 -2.89187241 -1.88747862 -13.14869187 -2.93695102 -2.27147352 -3.35996345 0.28927095 -13.25260151 -14.11094282 -3.58387801 -0.43840324 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 92953-10-1 175533 170466548 D Clofilium tosylate Clc1ccc(CCCC[N+](CC)(CC)CCCCCCC)cc1.[O-]S(=O)(=O)c1ccc(C)cc1 Tox21_110799_1 -NCGC00258585-01 196730108 tox21-ror-cho-viability-p1 set3 4 -0.60426118 4.10394068 -0.98837746 5.17788844 -0.81717221 0.30367532 0.45417534 1.17342335 1.55828578 2.11577956 1.40237965 3.86416469 3.26474767 2.54523804 -4.61262989 1.152E-9 2.575E-9 5.759E-9 1.288E-8 2.879E-8 6.439E-8 1.44E-7 3.219E-7 7.199E-7 0.00000161 0.000003599 0.000008048 0.000018 0.00004024 0.00008998 4350-09-8 439280 144208230 A D L-5-Hydroxytryptophan O=C(O)[C@@H](N)Cc2cnc1ccc(O)cc12 Tox21_201032 -NCGC00257652-01 196730083 tox21-ror-cho-viability-p1 set3 4 -1.93110328 3.0951622 -1.02797897 -0.1545685 3.0793466 0.90335954 -0.21983615 -0.67079587 0.62111488 -0.31348782 0.98849381 4.89234984 4.07137951 0.00712867 -0.1785063 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 5089-70-3 78771 144207296 FNS (3-Chloropropyl)(triethoxy)silane CCO[Si](OCC)(OCC)CCCCl Tox21_200098 -NCGC00257732-01 196730084 tox21-ror-cho-viability-p1 set3 4 0.66220224 2.90113254 4.32118703 3.8656177 3.1175701 3.74655968 2.91036096 4.24915318 6.25270976 -4.09128811 0.74074218 3.97719279 2.77578809 2.15489834 1.07298096 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 106-79-6 7829 144207376 A A Dimethyl decanedioate O=C(CCCCCCCCC(=O)OC)OC Tox21_200178 -NCGC00257655-01 196730088 tox21-ror-cho-viability-p1 set3 4 -4.14058696 -5.71144415 -2.94055895 -6.6402262 -4.83312492 -6.22405201 -4.21297614 -2.6044457 -4.77326244 -1.00399689 -0.81909896 -5.12908868 -0.46983419 2.36100326 -0.35493569 1.1919999999E-9 2.6659999999E-9 5.9609999999E-9 1.333E-8 2.981E-8 6.6649999999E-8 1.49E-7 3.332E-7 7.451E-7 0.0000016659999999 0.000003726 0.0000083309999999 0.00001863 0.000041649999999 0.000093139999999 460345-16-8 2734247 144207299 A A 1-Hexyl-3-methylimidazolium trifluoromethanesulfonate FC(F)(F)S([O-])(=O)=O.C[n+]1ccn(CCCCCC)c1 Tox21_200101 -NCGC00256803-01 196718736 tox21-ror-cho-viability-p1 set2 4 0.1933118196 4.238612156 0.761387844 5 0.9999999999 0.3703500597 0.3220633159 -0.29333437 3.02273594 3.24121169 1.2322178 -1.86551013 0.78956425 2.78602452 5.57958995 2.82639281 4.42169511 8.29288018 3.89934079 5.55541327 1.19307782 1.52266666 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 607-88-5 69091 144212933 A A Salicylic acid p-tolyl ester Oc2ccccc2C(=O)Oc1ccc(C)cc1 Tox21_302616 -NCGC00257027-01 196718326 tox21-ror-cho-viability-p1 set2 4 -2.1444288 -4.49441219 -1.98296365 -4.68159488 -6.79001545 -6.54482089 -2.64115084 0.30379982 -0.18896273 -2.30230648 -0.04320236 -5.73368957 -4.681416 -10.79243607 -7.74459294 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.265E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.00009125 934-32-7 13624 144213437 A A 2-Aminobenzimidazole Nc1nc2ccccc2n1 Tox21_303120 -NCGC00256780-01 196718729 tox21-ror-cho-viability-p1 set2 4 -0.10346961 -0.30912535 2.3722704 1.52504591 1.73958375 3.93389216 1.47123662 6.20908098 5.29010373 4.38999287 0.0136919 2.49333937 4.93767206 3.17405016 0.52715135 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19322-27-1 4564493 144212858 Z Bc 4-Hydroxy-5-methyl-3-furanone CC=1OCC(=O)C=1O Tox21_302541 -NCGC00256827-01 196718739 tox21-ror-cho-viability-p1 set2 4 0.66152585 -0.14029806 0.42093919 0.03846533 1.57999034 3.18497581 0.79339718 3.18340745 2.69171967 0.40070062 4.54813606 5.22113713 1.18764745 2.68535275 0.4584873 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 540-07-8 10886 144213015 A Fc Pentyl hexanoate O=C(CCCCC)OCCCCC Tox21_302698 -NCGC00257194-01 196719147 tox21-ror-cho-viability-p1 set2 4 -2.91604039 -1.17552399 -3.04171288 -0.0853649 -3.07894285 0.00898499 -2.20663088 -1.88493947 -2.13046068 -2.55277095 -1.34260568 1.51622506 -2.5874539 -1.39161307 -5.24754751 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13684-63-4 24744 144213361 D Phenmedipham O=C(Oc1cccc(c1)NC(=O)OC)Nc2cc(C)ccc2 Tox21_303044 -NCGC00256561-01 196719150 tox21-ror-cho-viability-p1 set2 4 -2.84857127 -2.2477018 0.45380854 -0.54534117 -1.24101135 -1.35775103 0.20040962 0.94824333 -0.30054996 0.70822207 -0.0012947 1.75091989 -1.71835414 -0.25829365 6.36914537 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2216-51-5 16666 144213345 A A (1R,2S,5R)-(-)-Menthol CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O Tox21_303028 -NCGC00254005-01 196719576 tox21-ror-cho-viability-p1 set3 4 0.0221885551 -11.44923755 -16.01381861 -4.3639124 -6.56346667 -5.6493383 -7.37589146 -3.28613849 0.06034002 -2.01491879 -0.87257169 -1.86610841 -0.78347624 0.60915187 -1.30646365 6.95784994 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 576-26-1 11335 144210477 A A 2,6-Dimethylphenol Cc1cccc(C)c1O Tox21_300157 -NCGC00254369-01 196719577 tox21-ror-cho-viability-p1 set3 4 1.36818159 5.77671991 8.12705915 14.55870666 2.96763836 10.45043107 -3.36977601 4.1661065 0.96380363 8.29292955 4.22138802 1.84580899 5.29970319 0.91996451 0.460683 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 621-64-7 12130 144210706 A Ac N-Nitrosodipropylamine CCCN(CCC)N=O Tox21_300388 -NCGC00091483-03 196717094 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -24.172312432 3 -21.172312432 4.0949729863 0.6803129725 0.0476241699 1.23838353 0.6564687 5.64719396 2.57029084 11.72804592 6.92792179 3.01851527 0.78604148 1.00266413 -0.65807185 -0.67532327 2.08109107 1.2086893 0.25112893 -15.56026036 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00253717-01 196716686 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -16.90215456 1 -15.90215456 4.9549173134 0.8302213153 0.0039878367 -1.4033846 -1.57731683 2.45701185 2.02412758 1.66806449 2.68977236 2.04459002 -1.00803579 1.33938305 -1.64874206 2.63552492 1.38509388 0.78297758 2.24681507 -14.0851288 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3943-89-3 77547 170466695 Ac A Ethyl protocatechuate Oc1ccc(cc1O)C(=O)OCC Tox21_113836 -NCGC00095252-05 196717083 tox21-ror-cho-viability-p1 set2 4 0.2371013766 -4.6906466599 3.5 -1.1906466599 4.9549173134 0.3287014762 0.3417749742 1.61054159 0.37221721 0.17603096 0.14644834 4.90274241 4.40221319 13.76052459 4.36135317 -3.22961738 -3.49220555 -0.58221515 -0.14953473 0.72724082 -1.63973542 0.86402456 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 515-69-5 1549992 170466208 F Bisabolol CC1=CC[C@@H](CC1)[C@@](O)(C)CC\C=C(/C)C Tox21_111490_1 -NCGC00161422-04 196717089 tox21-ror-cho-viability-p1 set2 -2.4 33.4914596268 -30.06313122 -3 -33.06313122 4.5044702849 0.8685363032 0.0012250439 0.52073478 -5.88791155 -3.91141662 -4.7272678 -1.30777057 -2.59082436 -1.35049907 -0.56376994 -1.01334215 -1.64832148 -2.67135271 -9.60038219 -2.77746993 -5.88929987 -27.55260935 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1216920-18-1 46861540 170466895 A Falnidamol dihydrochloride Cl.Cl.CN4CCC(Nc2nc3c(Nc1ccc(F)c(Cl)c1)ncnc3cn2)CC4 Tox21_111996_1 -NCGC00249901-01 196717103 tox21-ror-cho-viability-p1 set2 4 0.3757803576 -4.5231268599 2 -2.5231268599 4.9549173134 0.4820364056 0.1976163361 -0.23389712 -1.82055793 1.44764224 -0.17228779 5.0982324 4.62062083 2.41893318 3.94360235 -0.13440074 -3.20509278 -5.43593905 -3.38071762 -0.68268563 -0.98565455 -0.21385979 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63906-52-5 23684827 170465517 F A Thiocyanoacetic acid sodium salt [Na+].[O-]C(=O)CSC#N Tox21_113677 -NCGC00257847-01 196701937 tox21-ror-cho-viability-p1 set1 4 27.2782538257 11.87088024 -2.87088024 9 1.1340999999 0.4755211073 0.2017224211 -0.18945963 -2.52638762 -6.11328426 -7.3924002 4.9449657 -6.03222047 -0.16937006 -2.42197015 -3.40292252 -5.61320759 0.10232525 0.56963404 0.19506392 4.88019743 6.47426984 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.9479999999E-8 6.591E-8 1.474E-7 3.295E-7 7.369E-7 0.000001648 0.000003684 0.000008239 0.00001842 0.00004119 0.00009211 13608-87-2 26132 144207491 A A 2',3',4'-Trichloroacetophenone Clc1ccc(C(C)=O)c(Cl)c1Cl Tox21_200293 -NCGC00258243-01 196701526 tox21-ror-cho-viability-p1 set1 4 68.1016469048 16.910991268 -5.910991268 11 4.9549173134 0.520170915 0.1612893575 -1.6768571 0.40185552 -7.43362152 -0.62636651 -10.07977637 -6.0364726 -8.30825863 -8.73126597 -4.67256056 -3.00162591 -10.75915939 -7.88050395 -6.11075932 -5.74158927 7.79478215 1.173E-9 2.6229999999E-9 5.865E-9 1.312E-8 2.933E-8 6.558E-8 1.466E-7 3.279E-7 7.3319999999E-7 0.0000016389999999 0.0000036659999999 0.000008197 0.00001833 0.00004098 0.00009165 58-22-0 6013 144207887 A A Testosterone O=C4CC[C@@]3(C)C(CC[C@@H]1[C@@H]3CC[C@]2(C)[C@@H](O)CC[C@@H]12)=C4 Tox21_200689 -NCGC00257757-01 196701926 tox21-ror-cho-viability-p1 set1 4 8.69867233 -2.11525233 4.46987853 10.51702672 -0.34558817 4.22934845 1.39659099 3.92537335 4.96785549 0.22973513 0.26115607 -0.3122071 6.53444267 0.73940215 3.51206345 1.16E-9 2.5929999999E-9 5.798E-9 1.2959999999E-8 2.8989999999E-8 6.482E-8 1.45E-7 3.241E-7 7.2479999999E-7 0.000001621 0.000003624 0.000008103 0.00001812 0.00004052 0.00009059 534-22-5 10797 144207401 A 2-Methylfuran Cc1ccco1 Tox21_200203 -NCGC00258753-01 196701927 tox21-ror-cho-viability-p1 set1 4 2.36185783 -0.97504978 2.01501572 5.71536921 2.4221144 -0.28719675 0.54592459 0.38449103 2.85733318 3.7780741 7.18194743 2.23696679 2.26065865 -0.96770743 4.06289471 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.875E-8 6.429E-8 1.438E-7 3.215E-7 7.188E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.00004018 0.000089849999999 108-60-1 7944 144208399 A A Bis(2-chloro-1-methylethyl) ether CC(CCl)OC(C)CCl Tox21_201201 -NCGC00258538-01 196701939 tox21-ror-cho-viability-p1 set1 4 53.2660228804 -23.101905764 -0.5 -23.601905764 0.5 0.6458589913 0.0668290998 -1.36278718 -5.04572844 -0.37293608 7.18335727 -1.85697449 -0.32718361 -7.12807489 -0.42252091 -3.87882432 -4.1297676 -6.07883341 -6.79878713 -9.19321782 -7.95262259 -16.33492147 1.158E-9 2.5899999999E-9 5.792E-9 1.2949999999E-8 2.896E-8 6.4759999999E-8 1.448E-7 3.238E-7 7.241E-7 0.0000016189999999 0.00000362 0.000008095 0.0000181 0.000040479999999 0.00009051 101-79-1 7578 144208183 A A 4-Chloro-4'-aminodiphenyl ether Clc2ccc(Oc1ccc(N)cc1)cc2 Tox21_200985 -NCGC00091163-03 196723961 tox21-ror-cho-viability-p1 set3 4 2.1689942904 5.5506079639 -1.5506079639 4 4.9549173134 0.3533650347 0.3177340442 -5.83612497 -6.70883997 -0.89763847 2.81181059 -0.95656609 1.70020699 5.10568963 -5.43511543 -3.66255819 -2.69221335 8.08318572 0.04609568 4.96354777 1.40244326 6.1071924 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00015872-08 196723543 tox21-ror-cho-viability-p1 set3 2.2 9.4391758155 65.6882539369 -15.7263502439 49.961903693 0.6 0.9056747323 0.0002398737 -10.97058496 -12.54982743 -13.0524865 -14.27305396 -30.13920208 -12.39276197 -13.16389661 -9.93858856 -5.79985445 1.69806825 3.66454433 3.87283984 16.32428227 21.45467553 37.06425918 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5786-68-5 5702242 170466093 A Quipazine maleate O=C(O)/C=C\C(=O)O.n1c3ccccc3ccc1N2CCNCC2 Tox21_110249_1 -NCGC00357044-01 196723943 tox21-ror-cho-viability-p1 set3 4 27.3060203028 12.8585768999 -2.8585768999 10 0.5 0.4290283875 0.245416467 -4.57803868 -5.01896856 -3.33795536 1.00148969 -1.28680447 3.19058449 -6.96548075 -3.31979775 0.16302807 1.40584418 -0.76759615 6.12697943 -2.79933217 4.30222308 7.43533987 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-61-2 6977 251919967 A 1,4-Dichloro-2-nitrobenzene O=[N+]([O-])c1cc(Cl)ccc1Cl Tox21_303735 -NCGC00260392-01 196723959 tox21-ror-cho-viability-p1 set3 4 0.0274449232 6.8427407319 -4.8427407319 2 2.0478617061 0.7929090456 0.0094027392 -4.72838323 -3.92568393 -6.11895061 -3.31308092 -1.09601816 0.89705533 0.87820261 1.53229507 2.51503577 3.55574557 2.15754981 -2.31232359 3.46242814 3.15175909 3.94998983 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.626E-8 1.482E-7 3.3129999999E-7 7.408E-7 0.000001656 0.000003704 0.000008282 0.00001852 0.000041409999999 0.000092599999999 55-48-1 60196398 144210044 A A Atropine sulfate anhydrous (2:1) salt CN3[C@@H]1CC[C@H]3C[C@H](C1)OC(=O)C(CO)c2ccccc2.O=S(=O)(O)O.OCC(c1ccccc1)C(=O)O[C@H]2C[C@H]3CC[C@@H](C2)N3C Tox21_202846 -NCGC00018210-05 196697802 tox21-ror-cho-viability-p1 set1 4 1.23565074 6.9711096 0.89439919 3.05545075 4.17609261 3.20154394 5.46855218 7.18633732 1.28192268 1.49110869 0.0085328 -0.35862011 2.30574059 7.51111153 2.36448353 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 125-52-0 66061 170465276 A Oxyphencyclimine hydrochloride Cl.CN3CCCN=C3COC(=O)C(O)(c1ccccc1)C2CCCCC2 Tox21_111416_1 -NCGC00249886-01 196698203 tox21-ror-cho-viability-p1 set1 4 1.51316312 -0.30362487 -0.64675401 -2.04358855 -1.89524997 -5.76884498 -2.10594142 1.75911883 -2.52120116 -0.1869905 1.91211653 -0.48265195 2.09603182 -7.50453469 -5.50833688 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7681-14-3 93055 170465430 A A Prednisolone tebutate CC(C)(C)CC(=O)OCC(=O)[C@@]4(O)CC[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_113662 -NCGC00016281-11 196698215 tox21-ror-cho-viability-p1 set1 4 0.61124077 0.27903365 -5.15955192 -1.42472875 -5.13784895 0.86898196 0.13219156 -4.52236071 -0.3679859 -8.14631149 -4.88845422 -2.14089521 -0.97288289 -2.19879807 -2.14286485 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62-44-2 4754 170465554 A Phenacetin CCOc1ccc(cc1)NC(C)=O Tox21_110347_1 -NCGC00357224-01 196724568 tox21-ror-cho-viability-p1 set3 4 0.0021689943 16.6715565799 -10.6715565799 6 0.4 0.3491713944 0.3372005293 -7.22629715 5.33339137 -2.99969233 -1.58859363 2.56525424 5.69242219 1.71249096 0.18723268 1.77250126 2.47548754 13.93471472 8.05472193 4.05483632 2.60198796 -0.00089051 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 134-85-0 8653 251919863 A 4-Chlorobenzophenone O=C(c1ccc(Cl)cc1)c2ccccc2 Tox21_304009 -NCGC00260555-01 196724564 tox21-ror-cho-viability-p1 set3 4 0.0008412674 12.595449956 -12.595449956 0 1.372261 0.3592902069 0.3129997766 -8.82954163 -1.6270559 -4.56653688 -2.23468403 2.21364003 3.32238388 -0.65105153 -1.78992445 -3.26055 -0.07610072 2.70340336 -3.00561232 2.36744352 -5.07481706 5.7017997 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49451 144210208 M M NTP Mix63 CT1 62-EQP Tox21_203010 -NCGC00260409-01 196724578 tox21-ror-cho-viability-p1 set3 4 76.5676715067 14.375915176 0.624084824 15 0.6 0.5204725233 0.1623030684 -0.5117261 0.9027668 0.21561314 1.98107219 3.9163239 -2.39659598 1.92094302 -0.90489436 0.27845202 3.85313021 1.44840086 5.35068122 6.97851516 1.11134034 10.91304661 1.175E-9 2.626E-9 5.873E-9 1.3129999999E-8 2.936E-8 6.566E-8 1.468E-7 3.2829999999E-7 7.341E-7 0.000001642 0.0000036709999999 0.000008208 0.00001835 0.00004104 0.00009176 6579-54-0 522183 144210061 F A 2,6-Dichlorobenzenesulfonylchloride O=S(Cl)(=O)c1c(Cl)cccc1Cl Tox21_202863 -NCGC00024762-04 196724986 tox21-ror-cho-viability-p1 set3 1.2 0.3349145963 49.6617872262 2.4091635049 52.0709507311 2.2481167061 0.9767358311 1.135E-7 4.22238599 4.4766876 6.85979794 -0.39962789 -0.52169573 0.15156971 3.27338894 9.44548549 34.21097696 43.23245049 47.21718205 59.12632046 49.6566037 55.92201962 47.89956439 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98774-23-3 108092 170466289 A Tesmilifene hydrochloride CCN(CCOc1ccc(cc1)Cc2ccccc2)CC Tox21_110924_1 -NCGC00255306-01 196710507 tox21-ror-cho-viability-p1 set2 4 -0.09917142 4.84702288 -3.02544353 -1.85308019 0.11568698 2.37075289 -0.2780839 -0.29068048 -2.1557809 -2.75343262 -0.34523659 -0.90378028 0.36940974 -1.27818231 4.01134982 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-83-1 8140 144212429 F Ac 1-Bromooctane BrCCCCCCCC Tox21_302112 -NCGC00256004-01 196710094 tox21-ror-cho-viability-p1 set2 4 0.04704337 0.48798047 0.88219599 -0.45213026 -0.32966997 -0.87269852 -0.05118059 -2.38191915 -0.52569024 -0.44337877 -1.87847601 -1.04415588 -1.71287877 0.95437688 7.33160622 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 36768-62-4 37524 144212449 A Ac 2,2,6,6-Tetramethylpiperidin-4-amine NC1CC(C)(C)NC(C)(C)C1 Tox21_302132 -NCGC00256067-01 196710105 tox21-ror-cho-viability-p1 set2 4 -0.7107337 -5.18647203 -2.3316949 0.58931728 -6.50226764 -6.33986591 -4.37900465 -6.41692769 1.73966432 -3.91455118 -4.29900822 -0.4087212 -0.28640333 0.33373704 -2.81197725 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 34562-31-7 118703 144211656 D 3,5-Diethyl-1-phenyl-2-propyl-1,2-dihydropyridine CCC2=CN(c1ccccc1)C(CCC)C(=C2)CC Tox21_301339 -NCGC00255473-01 196710503 tox21-ror-cho-viability-p1 set2 -3 76.9588215421 -36.761097644 -3 -39.761097644 4.9549173134 0.8994721953 0.0003318706 -7.08456052 -2.39479359 -3.13897665 -1.36613646 -5.13086059 -3.80332496 0.04869161 -5.07624595 -6.88972829 -1.56800985 -1.12881891 -4.14312113 0.261401 -2.20777118 -31.46758137 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1715-40-8 15583 144212173 A A Bromociclen ClC2(Cl)C1(Cl)CC(CBr)C2(Cl)C(Cl)=C1Cl Tox21_301856 -NCGC00091088-05 196710518 tox21-ror-cho-viability-p1 set2 4 2.1689942904 7.6589386479 -9.7254645999 -2.066525952 0.6999999999 0.5208203334 0.1615581147 -10.42164794 -5.83248701 -9.68305415 -11.86376224 -6.42779651 -13.5212205 -7.68693209 -11.73029028 -2.52621241 -5.71132175 -7.90046635 -3.19837786 -3.78530456 -3.39854945 -1.72210496 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00255127-01 196710916 tox21-ror-cho-viability-p1 set2 4 -9.97306208 -7.08176972 -3.14827015 -4.18516414 -6.03595397 -2.17583038 -1.73357268 -8.71511085 0.71792981 -6.47071369 0.3753544 0.66925896 -6.21969099 -6.60796298 -0.87529401 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69-53-4 6249 144211733 D Ampicillin OC(=O)[C@@H]2N3C(=O)[C@@H](NC(=O)[C@H](N)c1ccccc1)[C@H]3SC2(C)C Tox21_301416 -NCGC00255892-01 196710926 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -20.13808668 2.5 -17.63808668 4.0949729863 0.7983657582 0.0083224008 6.142619 6.52159183 3.62875625 1.73869354 2.23734924 1.57549564 4.77051742 1.28158257 0.56068792 1.88666296 0.09935119 0.2678901 0.771465 0.51082683 -13.0317389 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66246-88-6 91693 144211635 A A Penconazole Clc2ccc(C(CCC)Cn1cncn1)c(Cl)c2 Tox21_301318 -NCGC00256351-01 196718370 tox21-ror-cho-viability-p1 set2 -2.4 31.6409747605 -45.0446675552 -4.19108212 -49.2357496752 0.7 0.4281208654 0.2444950613 -0.1592351 -10.76270003 -5.90577405 -10.47545417 -16.72346204 -12.30595929 -17.29448781 -10.17693371 -15.03994091 -12.08460276 -1.20242492 -4.88480909 -18.22545816 -31.03451318 -37.29981036 8.258E-10 1.8469999999E-9 4.1289999999E-9 9.2329999999E-9 2.065E-8 4.616E-8 1.032E-7 2.308E-7 5.161E-7 0.0000011539999999 0.000002581 0.0000057709999999 0.0000129 0.00002885 0.00006452 6459-94-5 5479172 144213294 F C.I. Acid Red 114 [Na+].[Na+].[O-]S(=O)(=O)c5cc(cc6ccc(O)c(/N=N/c1ccc(cc1C)c4ccc(/N=N/c3ccc(OS(=O)(=O)c2ccc(C)cc2)cc3)c(C)c4)c56)S([O-])(=O)=O Tox21_302977 -NCGC00257068-01 196718371 tox21-ror-cho-viability-p1 set2 4 -0.94460971 2.17927723 -1.28946576 2.13820441 2.5678112 -1.59802533 1.95753806 -0.49902933 -9.63441924 -0.34699394 1.1297882 2.63296996 3.94620448 3.86026245 -0.16248612 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 626-17-5 12276 144213507 A A 1,3-Benzenedicarbonitrile N#Cc1cccc(C#N)c1 Tox21_303190 -NCGC00168342-02 196718375 tox21-ror-cho-viability-p1 set2 4 -1.01908052 -4.70860969 -1.44031876 -1.84849807 2.42427925 0.24339214 -1.10792978 1.07560523 0.54197442 1.14574206 -1.84826642 0.06119819 -1.5484891 0.20138099 -4.03203787 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00256428-01 196718334 tox21-ror-cho-viability-p1 set2 4 -0.7933973 -4.99761686 -7.44876121 -2.01056928 -4.10260868 -7.83709257 0.75676013 0.38422397 -3.89708168 -8.32385019 -0.30768437 0.1042271 -2.22842257 -0.81537815 -1.77387775 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55-80-1 5934 144213339 A A 3'-Methyl-4-dimethylaminoazobenzene CN(C)c2ccc(/N=N/c1cc(C)ccc1)cc2 Tox21_303022 -NCGC00254875-01 196720428 tox21-ror-cho-viability-p1 set3 4 0.0343762429 18.1376081439 -17.6376081439 0.5 0.4 0.7643779915 0.0155659032 -11.11385737 -19.28134012 -9.71041597 -5.71476533 -9.34626564 -10.31732858 -6.74718941 -2.21373083 -3.55657138 -4.61426429 -0.58441226 -1.8682768 -0.34615191 -1.43994211 0.58692958 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10420-33-4 112039 144211289 A A Dimethyl acetylsuccinate COC(=O)CC(C(=O)OC)C(C)=O Tox21_300972 -NCGC00254175-01 196720835 tox21-ror-cho-viability-p1 set3 4 3.25750472 2.93641402 9.19282286 7.26815804 14.73450804 9.84038102 10.57929022 0.1487337 3.13501437 5.97725938 4.99544043 10.39658327 2.10740373 4.02427676 2.92674622 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-52-4 7095 144210487 A Ac Biphenyl c1cc(ccc1)c2ccccc2 Tox21_300167 -NCGC00090721-03 196718342 tox21-ror-cho-viability-p1 set2 4 0.56607919 0.35993015 0.73096883 3.96672848 3.41454734 4.03803945 1.0966905 4.84289739 1.3572761 4.14541084 1.90092067 0.94441047 1.15693011 3.41700512 1.39463979 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00256392-01 196718336 tox21-ror-cho-viability-p1 set2 4 2.70231369 0.24786206 -2.26379943 2.15805264 -0.59975642 -10.04484325 3.05792438 -0.82952172 -6.19995888 -0.81890742 -1.78844667 -0.8796147 1.33326912 -3.55039526 -1.06559369 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-62-2 638024 144213063 A A Piperine O=C(/C=C/C=C/c1ccc2OCOc2c1)N3CCCCC3 Tox21_302746 -NCGC00256872-01 196718340 tox21-ror-cho-viability-p1 set2 4 0.61411228 1.08182908 -1.41893762 0.42189755 3.66836746 2.50092827 0.43153702 4.93384877 6.1054266 5.47822197 5.14785908 -0.97674276 1.7400805 1.15057759 1.38294515 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-65-3 8405 144212820 A Fns Isoquinoline c1cccc2ccncc12 Tox21_302503 -NCGC00256959-01 196718343 tox21-ror-cho-viability-p1 set2 4 -8.46981407 -1.89488026 -4.1430708 -1.41774886 -8.2313711 -2.42901873 -1.3974123 -0.14900038 -7.0764989 -7.69180707 -2.4070222 -1.84306024 0.51780802 -7.37247809 -9.12501403 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 960-71-4 70400 144213530 F F Triphenylborane c1ccccc1B(c2ccccc2)c3ccccc3 Tox21_303213 -NCGC00257292-01 196718747 tox21-ror-cho-viability-p1 set2 -2.2 54.4826732819 -47.4545100808 -2 -49.4545100808 2.0478617061 0.9024062907 0.0002853701 0.57497366 -1.29058412 1.90989646 -4.15882792 -1.61724604 -11.13252694 -0.21805861 0.01330624 -2.3550496 -6.47772183 0.11241009 -3.53060614 -6.41039896 -19.21604183 -37.46553794 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1083-27-8 14127 144213733 A A Hexylparaben Oc1ccc(cc1)C(=O)OCCCCCC Tox21_303422 -NCGC00257500-01 196718751 tox21-ror-cho-viability-p1 set2 -2.1 48.3602777053 -98.5650609725 0.0323404059 -98.5327205666 3.1319983358 0.9965898091 0 -1.39566179 -0.23069409 1.00853505 -0.998212 2.32489331 -0.54533934 -1.03272818 0.99665846 1.07351407 -1.87838642 -1.64181045 0.95843252 -2.37379426 -35.84591704 -87.35170263 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.315E-8 2.94E-8 6.573E-8 1.4699999999E-7 3.2869999999E-7 7.3489999999E-7 0.000001643 0.0000036749999999 0.000008217 0.00001837 0.00004108 0.00009187 24169-02-6 68589 144213703 A A Econazole nitrate [O-][N+](=O)O.Clc3ccc(C(OCc1ccc(Cl)cc1)Cn2ccnc2)c(Cl)c3 Tox21_303391 -NCGC00257118-01 196718768 tox21-ror-cho-viability-p1 set2 4 43.2771256911 -18.0437675039 0.5 -17.5437675039 2.4063783767 0.8848131069 0.0006557067 -2.40037521 -1.36326414 -0.17483274 1.14254945 -0.33441835 0.71063757 3.13433175 1.39298957 2.40818763 -2.23967162 -0.51878401 1.38466938 -1.42913301 -8.52078371 -15.03647292 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 836-30-6 13271 144213650 A A 4-Nitro-N-phenylaniline [O-][N+](=O)c2ccc(Nc1ccccc1)cc2 Tox21_303333 -NCGC00256758-01 196719181 tox21-ror-cho-viability-p1 set2 4 0.07860564 -0.28606865 2.45358979 1.70665217 0.17738541 0.97242676 2.43430818 -1.2170771 0.1519214 1.16381846 -0.93595453 0.74300886 0.89308202 -0.13039009 -0.54100383 8.9069999999E-10 1.9919999999E-9 4.453E-9 9.9579999999E-9 2.227E-8 4.979E-8 1.113E-7 2.4899999999E-7 5.5669999999E-7 0.000001245 0.000002783 0.000006224 0.000013919999999 0.00003112 0.00006959 137-06-4 8712 144212800 Z Ac 2-Methylbenzenethiol Cc1ccccc1S Tox21_302483 -NCGC00256433-01 196719183 tox21-ror-cho-viability-p1 set2 4 0 -0.01019869 -0.02546404 -5.90319963 3.94539007 -1.06171967 0.39567592 -1.08739733 8.13965043 -6.36152983 0.74534416 3.14812008 -2.29348624 3.37019573 -0.55715274 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-53-9 8400 144213107 A A Benzoin OC(C(=O)c1ccccc1)c2ccccc2 Tox21_302790 -NCGC00253980-01 196719603 tox21-ror-cho-viability-p1 set3 4 15.3553036427 -13.318109092 -2 -15.318109092 0.7999999999 0.4779697411 0.1989098912 -1.24713688 -4.66610188 -7.09555759 -8.02781702 0.59171279 -1.54541285 3.24522756 3.4874254 -5.27134467 -8.25265386 -4.83285091 -8.04254798 -5.49068162 -14.01509091 -12.2633774 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-44-5 2879 144210349 A F p-Cresol Cc1ccc(O)cc1 Tox21_300029 -NCGC00254744-01 196699458 tox21-ror-cho-viability-p1 set1 -2.1 25.5622965193 -94.8674601484 1.7177485959 -93.1497115525 3.0654483358 0.9957168215 0 0.20938195 -0.65861645 4.35503057 0.6416668 1.79146137 0.98300142 0.49195188 0.42385237 3.8887433 0.15836705 2.02781415 2.40699746 -3.21771555 -43.32831021 -83.46748347 6.913E-10 1.546E-9 3.457E-9 7.729E-9 1.728E-8 3.8649999999E-8 8.6409999999E-8 1.932E-7 4.3209999999E-7 9.661E-7 0.00000216 0.000004831 0.0000108 0.000024149999999 0.000054009999999 71751-41-2 6434889 144211158 A F Abamectin CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]2[C@@H](OC)C[C@@H](O[C@H]2C)O[C@@H]3C(C)=CC[C@@H]6C[C@H](OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OCC(=CC=C[C@@H]3C)[C@@]45O)C[C@@]7(O6)C=C[C@H](C)[C@H](O7)[C@@H](C)CC Tox21_300841 -NCGC00254630-01 196699460 tox21-ror-cho-viability-p1 set1 4 68.241009061 -10.87905232 1.5 -9.37905232 4.0449729863 0.5138273182 0.1687560449 3.7688583 -0.41822531 1.24436984 0.34083762 0.78015797 2.56010699 -0.33581812 -3.1006194 6.06634021 1.41871477 4.20024194 1.72747762 1.34351202 0.25238177 -6.9825436 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.938E-8 6.568E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.000041049999999 0.0000918 105512-06-9 92431 144211041 A A Clodinafop-propargyl O=C(OCC#C)[C@@H](C)Oc1ccc(cc1)Oc2ncc(Cl)cc2F Tox21_300724 -NCGC00254515-01 196699874 tox21-ror-cho-viability-p1 set1 4 0.39907685 -0.70255123 0.86523746 -1.26289297 -1.23836402 0.57441706 -0.41863054 -0.44746234 -1.11848798 0.12849254 -0.07907161 0.51992914 0.26377812 2.53823106 1.08938466 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5216-25-1 21277 144210877 A D 4-Chlorobenzotrichloride ClC(Cl)(Cl)c1ccc(Cl)cc1 Tox21_300560 -NCGC00254698-01 196699875 tox21-ror-cho-viability-p1 set1 4 61.130564862 -26.1201635879 -1 -27.1201635879 1.21 0.8305442479 0.003931074 -1.17133153 1.61219702 -0.94827647 0.97599163 -3.46158363 -1.9122163 -3.89570913 1.1456431 -1.26935966 -0.3853874 -5.19940096 -3.78096443 -6.62546989 -7.10290326 -19.26680299 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10311-84-9 25146 144211111 A A Dialifor CCOP(=S)(OCC)SC(CCl)N2C(=O)c1ccccc1C2=O Tox21_300794 -NCGC00255518-01 196700289 tox21-ror-cho-viability-p1 set1 4 -18.4739321 -2.94327042 -4.34164994 -4.6747169 -6.1490378 -10.76277642 -10.03421725 -1.20180368 -1.94191238 -8.50686842 -3.65505352 -9.04690208 -15.28363791 -7.00462311 -16.76302696 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1746-81-2 15629 144211677 A A Monolinuron Clc1ccc(NC(=O)N(C)OC)cc1 Tox21_301360 -NCGC00255279-01 196700298 tox21-ror-cho-viability-p1 set1 4 0.54965166 1.69512234 0.92882335 4.76853239 5.44012199 1.6871218 0.51596011 2.49646565 0.80780835 5.18759672 0.88017568 -0.53207192 0.83674111 3.73033816 -0.2189835 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-88-3 7067 144212052 A A 2-(N-Ethyl-m-toluidino)ethanol CCN(CCO)c1cc(C)ccc1 Tox21_301735 -NCGC00255168-01 196700299 tox21-ror-cho-viability-p1 set1 4 -4.38017911 -11.09179075 -3.70398168 -11.19041083 -4.82382651 -9.65117215 -12.52739824 -14.88495402 -1.5830476 -14.81893443 -8.84527194 -8.64600379 -22.33571244 -7.35036048 -17.70573533 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-57-2 54675779 144212697 D Oxytetracycline NC(=O)C=3C(=O)[C@@]4(O)C(O)=C2C(=O)c1c(O)cccc1[C@@](C)(O)[C@H]2[C@H](O)[C@H]4[C@@H](C=3O)N(C)C Tox21_302380 -NCGC00255435-01 196700301 tox21-ror-cho-viability-p1 set1 4 -3.48885584 0.26099035 -0.4734062 2.44728647 0.13573152 0.02894373 2.21298511 1.93333037 1.47009732 1.5036932 4.55770078 1.10469203 3.24028013 -2.44855061 5.25330434 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 762-04-9 12977 144212350 Fns Diethyl phosphite CCOP(O)OCC Tox21_302033 -NCGC00255223-01 196700304 tox21-ror-cho-viability-p1 set1 4 140.3697508631 -14.648599924 1 -13.648599924 4.0949729863 0.713487564 0.0329742757 1.20815179 1.7978143 -1.11558169 -1.65088593 0.386667 1.52361333 0.01644009 5.00235111 1.31972436 0.42047666 2.49698144 0.73904863 -2.49137232 -0.52387367 -10.12383327 2.359E-9 5.276E-9 1.18E-8 2.638E-8 5.899E-8 1.3189999999E-7 2.949E-7 6.595E-7 0.000001475 0.000003297 0.0000073729999999 0.000016489999999 0.00003687 0.000082439999999 0.0001843 30030-25-2 170249 144211585 Bc B Chloromethyl styrene ClCc1cccc(C=C)c1 Tox21_301268 -NCGC00090708-05 196699896 tox21-ror-cho-viability-p1 set1 -2.4 6.8589621897 -21.357949076 0 -21.357949076 4.0949729863 0.9609555113 0.0000021485 -1.03247486 0.22625216 0.41232152 -0.78832316 -0.99880202 -1.30213758 -0.30589548 1.80417551 -0.8513837 0.75438654 -0.51106381 -15.35136419 -16.00849937 -23.63162423 -23.53216827 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00091205-03 196699085 tox21-ror-cho-viability-p1 set1 4 1.89967723 0.02371636 5.64600698 -3.63554084 0.96615214 -4.04441471 0.10358787 0.03750897 4.85021687 0.1316065 -0.02928214 -5.1375689 -0.61783226 -3.86337074 -1.55492476 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00166139-03 196712596 tox21-ror-cho-viability-p1 set2 4 1.71211656 0.22113189 1.65823283 2.46353944 0.56734068 -0.32054326 0.77112102 0.40577436 -0.09726125 0.59716374 -0.67949451 -2.86974527 1.01119395 0.20729154 5.95449757 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1083-57-4 14130 170465885 A 3-Hydroxy-4-butyrophenetidide CCOc1ccc(cc1)NC(=O)CC(C)O Tox21_112334_1 -NCGC00260438-01 196712177 tox21-ror-cho-viability-p1 set2 2.4 62.8128825504 20.811655172 1.188344828 22 0.9999999999 0.830678994 0.003934553 -0.67637931 -0.54552001 2.49481692 3.70456988 1.31766521 1.12782243 2.2658147 1.53997495 2.94535878 2.77274721 -0.1023687 4.9932916 3.13121274 8.60731945 16.84945129 1.2069999999E-9 2.699E-9 6.0359999999E-9 1.3499999999E-8 3.0179999999E-8 6.7479999999E-8 1.509E-7 3.3739999999E-7 7.5449999999E-7 0.000001687 0.0000037719999999 0.000008435 0.00001886 0.00004218 0.00009431 88-23-3 6927 144210090 A A 6-Amino-4-chloro-1-phenol-2-sulfonic acid OS(=O)(=O)c1cc(Cl)cc(N)c1O Tox21_202892 -NCGC00160437-03 196712589 tox21-ror-cho-viability-p1 set2 4 -0.48995327 -1.31412795 -5.35035649 -5.64349465 -5.09099937 1.98421757 -2.221752 1.84747199 2.40402114 -1.13467118 -3.13660806 -1.33525209 -8.32431112 -6.9356994 -3.63479652 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1213-06-5 14604 170466335 A Ethebenecid O=S(=O)(N(CC)CC)c1ccc(cc1)C(=O)O Tox21_111810_1 -NCGC00160418-02 196712591 tox21-ror-cho-viability-p1 set2 4 3.77612605 2.87793749 3.26531516 -1.83409839 3.73111569 -2.54576065 5.17255737 -2.24371092 -1.3952062 3.67537582 3.93444939 2.26248367 -2.25675278 0.85903349 -1.1259548 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83471-41-4 71267 170466105 A Pincainide Cc2cccc(C)c2NC(=O)CN1CCCCCC1 Tox21_111801_1 -NCGC00181760-01 196712599 tox21-ror-cho-viability-p1 set2 4 16.3534627896 9.757753028 -0.757753028 9 4.5044702849 0.8113951941 0.0065250122 -1.88247333 -1.45439197 -0.7938564 -2.71479419 -0.78933987 -2.25393926 -0.67420207 0.38648838 -1.50772545 -0.06736533 -1.63911758 0.36959216 0.9654952 0.32560648 7.35946727 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 64808-48-6 47462 144206494 A A Lobenzarit sodium [Na+].[Na+].O=C([O-])c2ccc(Cl)cc2Nc1ccccc1C([O-])=O Tox21_112941 -NCGC00263468-01 196712602 tox21-ror-cho-viability-p1 set2 4 -5.83832473 -4.11143909 -4.88133988 -5.19763984 -6.70993343 2.21884615 -3.85612523 0.34411999 2.18301317 -5.11691225 1.94551041 2.25067906 -0.38964741 -5.92173311 -1.23065309 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 34592-47-7 93176 170466577 Z L-Thioproline O=C(O)[C@@H]1CSCN1 Tox21_112310_1 -NCGC00169145-02 196713010 tox21-ror-cho-viability-p1 set2 4 -0.03017795 -2.59138842 -1.83323189 -4.62180421 -1.93956746 -0.092863 -1.02569766 -0.05666491 1.70443067 -1.06089099 1.39001634 -2.43135764 0.2408523 1.28182373 4.33666521 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10338-51-9 159278 170465472 A Salidroside Oc2ccc(CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)cc2 Tox21_113565_1 -NCGC00254474-01 196714701 tox21-ror-cho-viability-p1 set2 4 7.6958821542 12.512098416 0.987901584 13.5 2.3331733767 0.9521384431 0.0000067112 1.69354566 0.24602379 2.07195704 0.62515583 -0.42674868 1.42694725 1.76500715 1.55837375 2.3036078 0.77103504 1.36024979 8.99321553 9.96689123 14.25168186 13.43496068 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-87-5 7111 144210723 A A Benzidine Nc1ccc(cc1)c2ccc(N)cc2 Tox21_300405 -NCGC00254504-01 196714688 tox21-ror-cho-viability-p1 set2 4 0.27916293 0.05221191 2.47582992 0.65508398 -0.40553548 0.49506514 0.70474149 0.38275846 0.48762073 1.24762703 0.22070338 4.41204679 7.64992293 1.40791508 1.38763471 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-62-1 8892 144210724 A A Hexanoic acid CCCCCC(=O)O Tox21_300406 -NCGC00254014-01 196714693 tox21-ror-cho-viability-p1 set2 4 0.6113056486 -12.450886688 -3.582162108 -16.033048796 0.2 0.3799849526 0.2936907122 -8.43824029 -7.80819987 -1.73513509 -6.86094729 -8.34636661 -9.26684457 -14.00020115 -8.40630743 -8.04635987 -9.59652943 -11.48542241 -8.98383171 -7.77323076 -15.44420733 -14.74325465 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47374 10201497 144210571 A A SSR161421 COc1ccc(cc1)C(=O)Nc3nc4ccccc4c(NCc2ccccc2)c3C#N Tox21_300251 -NCGC00254562-01 196714698 tox21-ror-cho-viability-p1 set2 4 4.3277125691 -5.094787768 1 -4.094787768 4.9549173134 0.5804324486 0.1288140338 1.20237278 1.53217231 3.67674617 0.46531427 1.52333101 2.36158662 -2.59295146 2.37974862 0.70020606 -0.65023443 0.51940765 -7.16232314 -3.68079492 -1.70943626 -0.79660896 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 454-92-2 9963 144210971 A A 3-(Trifluoromethyl)benzoic acid FC(F)(F)c1cccc(c1)C(=O)O Tox21_300654 -NCGC00254211-01 196714704 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -91.4739922092 -0.9775095809 -92.4515017901 4.5044702849 0.9957169144 0 1.24195774 1.40088804 -1.02098011 -2.7312129 0.62914353 -0.26203858 -0.67872771 -1.56122926 -2.02582794 -2.22288927 -1.94877689 -1.24957579 -1.59029285 -9.54677329 -73.37420777 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47366 53316382 144210566 A A SAR115740 Fc1cccc(c1)Cn4c5ccc(F)cc5cc4C(=O)Nc2cc3ccnc3cc2 Tox21_300246 -NCGC00258711-01 196715893 tox21-ror-cho-viability-p1 set2 -1.2 21.8223555187 -50.9289105039 2.808186036 -48.1207244679 4.9549173134 0.9918985564 2E-10 2.82059729 3.94204202 1.30294388 2.00088221 3.56813818 6.03931218 0.26421028 2.88911906 2.90788033 0.96943367 5.98210705 2.81508916 -12.80761497 -46.13246959 -47.7969671 1.1859999999E-9 2.6519999999E-9 5.929E-9 1.326E-8 2.9649999999E-8 6.629E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008286 0.00001853 0.000041429999999 0.00009265 23541-50-6 62770 144208357 A A Daunomycin hydrochloride Cl.CC(=O)[C@@]4(O)C[C@H](O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1)c5c(O)c3C(=O)c2c(OC)cccc2C(=O)c3c(O)c5C4 Tox21_201159 -NCGC00254722-01 196715072 tox21-ror-cho-viability-p1 set2 4 0.45504856 0.87090718 1.78087467 2.20078243 0.02698664 -0.05046547 0.48044494 0.75271389 1.17332799 -0.19220649 -0.53516171 -4.53320753 1.63912184 2.14807383 1.96429651 1.547E-9 3.458E-9 7.733E-9 1.7289999999E-8 3.867E-8 8.646E-8 1.933E-7 4.3229999999E-7 9.666E-7 0.0000021609999999 0.000004833 0.00001081 0.00002417 0.00005404 0.0001208 83164-33-4 91735 144211135 A A Diflufenican Fc3ccc(NC(=O)c2cccnc2Oc1cccc(c1)C(F)(F)F)c(F)c3 Tox21_300818 -NCGC00257979-01 196715479 tox21-ror-cho-viability-p1 set2 4 1.11851937 1.40865334 -0.88346355 -0.88276276 -1.10105612 0.71966203 0.04893002 2.37035983 -1.00220026 2.68527596 3.44089723 -1.3316544 2.71123802 -0.59180433 0.00848819 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.961E-8 6.622E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001655 0.000003702 0.0000082769999999 0.00001851 0.00004139 0.00009254 75-98-9 6417 144207623 A A 2,2-Dimethylpropanoic acid CC(C)(C)C(=O)O Tox21_200425 -NCGC00257889-01 196715484 tox21-ror-cho-viability-p1 set2 4 -0.24666624 1.09798801 -4.53470718 -0.97023807 0.46771741 -1.34166814 1.0939722 -0.79260003 0.31570506 -0.17087166 -0.65782083 -4.51751872 -1.95521271 -0.99154043 1.9751868 1.166E-9 2.606E-9 5.8279999999E-9 1.303E-8 2.9139999999E-8 6.516E-8 1.457E-7 3.2579999999E-7 7.285E-7 0.000001629 0.0000036429999999 0.0000081449999999 0.00001821 0.00004073 0.00009106 591-87-7 11584 144207533 FNS Allyl acetate CC(=O)OCC=C Tox21_200335 -NCGC00257838-01 196716299 tox21-ror-cho-viability-p1 set2 4 -0.68572552 -0.1583944 -2.70917218 -4.89440854 0.15681755 1.34618099 0.06356412 -3.06326115 0.24393291 -2.19231411 -2.38020786 -3.7301195 -1.15002074 -0.58944838 -0.24126322 1.278E-9 2.858E-9 6.391E-9 1.429E-8 3.195E-8 7.145E-8 1.598E-7 3.573E-7 7.989E-7 0.000001786 0.000003994 0.0000089309999999 0.000019969999999 0.000044659999999 0.00009986 111-91-1 8147 144207482 D Bis(2-chloroethoxy)methane ClCCOCOCCCl Tox21_200284 -NCGC00015099-11 196716719 tox21-ror-cho-viability-p1 set2 4 -8.69635264 0.10438114 -5.49158374 -2.86913262 -4.23555506 -9.01836478 -9.77412994 -10.87963202 -4.31029233 -0.67722625 -0.21638357 0.50243875 -6.69052313 -13.14480953 -17.16443453 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13655-52-2 2119 170465812 A Alprenolol CC(C)NCC(O)COc1ccccc1CC=C Tox21_110084_1 -NCGC00253713-01 196716723 tox21-ror-cho-viability-p1 set2 4 -1.63842766 -0.80314535 -2.6116563 0.95855095 1.57446486 -0.9714194 -3.00826734 1.57255612 -0.46190609 3.19084395 -1.40486517 3.66891071 3.52156193 3.55321825 2.506045 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72479-26-6 51755 170466486 Ac Ac Fenticonazole nitrate Clc4ccc(C(OCc2ccc(Sc1ccccc1)cc2)Cn3ccnc3)c(Cl)c4 Tox21_113832 -NCGC00160362-02 196717156 tox21-ror-cho-viability-p1 set2 4 -6.0870036 1.90239047 0.6777865 0.4131569 -3.13021875 -3.08880499 0.03297782 0.01535083 -6.13003626 -1.64723063 -0.69027253 -2.36581075 -3.2566063 -6.22525456 -4.50054243 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5663-71-8 10252 170466400 A Acetylsalicylamide O=C(NC(C)=O)c1ccccc1O Tox21_111763_1 -NCGC00167489-03 196716733 tox21-ror-cho-viability-p1 set2 4 11.8832183006 12.3501724719 -2.3501724719 10 4.4494702849 0.638264969 0.0843238393 -0.48357697 -8.20847706 -3.05199615 -3.58282512 0.73179098 -3.83275297 -2.44295776 0.46870975 1.371462 -2.3389646 -1.5223958 -2.61245778 0.58368649 9.68277047 -0.60874706 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 135159-51-2 444005 170465973 A Sarpogrelate hydrochloride Cl.O=C(O)CCC(=O)OC(COc2ccccc2CCc1cccc(OC)c1)CN(C)C Tox21_112490_1 -NCGC00179630-03 196717138 tox21-ror-cho-viability-p1 set2 4 -2.71252772 -7.12097513 -1.93829361 -5.18740298 -3.31733275 0.53453625 0.00482106 -0.5325962 -2.24750248 -3.54443324 0.34469697 1.69680824 -1.62558586 -1.15909859 1.97995039 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-56-9 6419941 170465642 A Homatropine hydrobromide Br.CN3[C@@H]1CC[C@H]3C[C@H](C1)OC(=O)C(O)c2ccccc2 Tox21_110318_1 -NCGC00247698-01 196717145 tox21-ror-cho-viability-p1 set2 4 -1.24856419 -1.26748301 -9.49644169 -12.06964034 1.25090805 -0.10937674 -3.25397857 1.40996865 1.97265366 -0.09501553 -0.26180928 -5.49874576 -3.78863018 -4.67225233 -0.94212483 1.374E-9 3.072E-9 6.869E-9 1.536E-8 3.434E-8 7.6799999999E-8 1.7169999999E-7 3.84E-7 8.586E-7 0.00000192 0.000004293 0.0000096 0.00002147 0.000048 0.00010729999999 50505-88-9 60196325 144206401 A A R-(-)-2,5-Dimethoxy-4-methylamphetamine hydrochloride Cl.COc1cc(C)c(cc1C[C@@H](C)N)OC Tox21_112848 -NCGC00241108-04 196717560 tox21-ror-cho-viability-p1 set2 -2.4 18.8336317891 -22.7251801279 -2.5 -25.2251801279 1.331 0.7786216191 0.0121235379 -4.23202789 0.00529818 -7.77975886 0.05845511 -3.92385444 -6.44889448 1.0160929 -4.61358166 1.16350084 0.01545215 -3.71653035 -8.22794313 -7.94293888 -13.48994983 -21.02098344 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 319460-85-0 6450551 170466656 I Axitinib CNC(=O)c4ccccc4Sc1ccc3c(c1)nnc3/C=C/c2ccccn2 Tox21_113597_1 -NCGC00166114-03 196717571 tox21-ror-cho-viability-p1 set2 4 29.8492948118 -11.813309368 2.5 -9.313309368 4.0949729863 0.5754359808 0.1167321694 0.54983056 0.049826 1.4250638 4.06686981 7.8090642 5.22786746 4.72445053 1.33534958 0.05424354 1.03134176 2.47474209 0.56501861 0.56914197 0.55179918 -7.76109114 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17372-87-1 11048 170466832 F Eosin [Na+].[Na+].[O-]C(=O)c4ccccc4C=2c3cc(Br)c([O-])c(Br)c3OC=1C=2C=C(Br)C(=O)C=1Br Tox21_112323_1 -NCGC00259153-01 196721264 tox21-ror-cho-viability-p1 set3 4 -6.96103016 -3.59415765 3.18244347 7.50346868 -2.53377635 -8.55295093 -3.35612091 -1.10531976 -4.16558233 -4.76348077 -7.21776557 -1.63609248 2.07851777 1.23396586 1.44014083 1.158E-9 2.589E-9 5.789E-9 1.2949999999E-8 2.8949999999E-8 6.473E-8 1.447E-7 3.2359999999E-7 7.237E-7 0.000001618 0.000003618 0.000008091 0.000018089999999 0.00004046 0.000090459999999 503-74-2 10430 144208802 A A Isovaleric acid CC(C)CC(=O)O Tox21_201604 -NCGC00254283-01 196720440 tox21-ror-cho-viability-p1 set3 4 -7.69811807 -12.41183377 1.78762544 0.42855524 1.31954461 -2.43248764 1.97709466 3.44034518 -5.84126743 -8.8741345 -3.68765372 -6.64210619 -4.35343484 0.5994761 -4.45581359 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-18-5 15600 144210654 FNS Decane CCCCCCCCCC Tox21_300336 -NCGC00254625-01 196720445 tox21-ror-cho-viability-p1 set3 4 0.1722893406 8.958149504 -10.557522424 -1.59937292 1.752947691 0.7052701936 0.0445583 -9.07187004 -16.71460202 -9.5227779 -5.2505489 -12.60365346 -7.28345266 -7.84068898 -3.53751017 -0.9161441 -0.95991522 -3.19246993 -1.10218733 -3.92929253 -0.96129379 -9.75494033 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7681-65-4 24350 144211036 Copper(I) iodide [Cu]I Tox21_300719 -NCGC00253996-01 196720446 tox21-ror-cho-viability-p1 set3 2.4 5.4482673282 32.9877215599 -16.9877215599 16 0.2 0.7287893366 0.0265342046 -13.85028139 -15.8231013 -4.82502142 -6.10842749 -9.71055298 -9.62017013 -4.00132183 -9.24046172 0.08340991 -3.25286143 -1.64540827 -2.59919446 0.91603499 0.4751287 10.00058159 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-46-6 8117 144210384 A A Diethylene glycol OCCOCCO Tox21_300064 -NCGC00166055-03 196717524 tox21-ror-cho-viability-p1 set2 4 0.97291817 1.6800061 -0.94179392 -3.27558739 0.29355502 -0.7228901 -1.36683394 -2.47308386 -3.18865429 1.24318082 -0.04732927 -1.43443865 0.96161507 -0.60946998 2.4953199 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13755-38-9 11953895 170464889 F Sodium nitroprusside dihydrate [Na+].[Na+].O.O.N#C[Fe-2](C#N)(C#N)(N=O)(C#N)C#N Tox21_110314_1 -NCGC00169964-05 196717109 tox21-ror-cho-viability-p1 set2 -2.4 2.1131682429 -34.749083984 -0.5 -35.249083984 0.4 0.8080997728 0.0066786171 -2.01335399 -2.04692004 -5.39461573 -1.12234623 1.28189843 -9.81498772 -9.17660041 -18.6347995 -3.45610629 -11.40183372 -21.32561819 -20.87281764 -22.25482632 -22.16718162 -29.79090332 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66-81-9 6197 170466349 A Cycloheximide O=C2CC(C[C@@H](O)[C@@H]1C[C@@H](C)C[C@H](C)C1=O)CC(=O)N2 Tox21_113580_1 -NCGC00164339-05 196717113 tox21-ror-cho-viability-p1 set2 4 1.0590929458 5.526298184 -5.026298184 0.5 4.9549173134 0.5096460615 0.1713152846 -6.68695334 -6.91145259 -5.82246837 -5.01198413 -5.53325294 -3.96180501 -0.35475017 -0.30335886 -11.68858182 -3.41057822 0.40099959 0.78097711 1.74415055 0.27737599 -0.51122927 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 102-60-3 7615 170466358 Z N,N,N',N'-Tetrakis(2-Hydroxypropyl)ethylenediamine CC(O)CN(CC(C)O)CCN(CC(C)O)CC(C)O Tox21_112102_1 -NCGC00253646-01 196717521 tox21-ror-cho-viability-p1 set2 4 1.19472315 -1.20104025 1.49858736 -10.34129809 1.28961572 -0.04974513 3.08085462 -0.63562111 2.00751363 -1.56107643 3.31805391 -0.50618952 -1.60676208 -1.68472993 3.22962521 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 138112-76-2 82148 170466417 A A Agomelatine CC(=O)NCCc1cccc2ccc(OC)cc12 Tox21_113772 -NCGC00016043-08 196717526 tox21-ror-cho-viability-p1 set2 4 21.1316824289 -9.62430026 5 -4.62430026 3.0654483358 0.4225019539 0.251968294 4.2891646 2.58860196 6.65577049 4.85108673 5.47196747 10.93315762 5.76859341 -3.56141538 5.009465 6.73453728 7.17506579 5.181729 4.42929981 0.02905444 -3.85358355 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118409-57-7 2052 170466860 A Tyrphostin 23 Oc1ccc(\C=C(/C#N)C#N)cc1O Tox21_110287_1 -NCGC00092328-02 196717533 tox21-ror-cho-viability-p1 set2 4 -1.80206193 -4.3019779 -2.41870492 -0.38692149 0.79395416 -0.07894818 1.7597764 -2.60835127 -3.68420345 -5.04016079 -6.05364827 -3.74533685 1.14359094 0.78177815 -0.99115724 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98323-83-2 57364 170466196 A Carmoxirole O=C(O)c3ccc4ncc(CCCCN1CC=C(CC1)c2ccccc2)c4c3 Tox21_111193_1 -NCGC00263525-01 196717544 tox21-ror-cho-viability-p1 set2 -1.2 3.7578035763 -43.9522983134 -1.381709197 -45.3340075104 4.4494702849 0.9283706566 0.0000579666 3.23209127 2.26112936 -0.01038391 -16.09985539 -2.61054736 -2.67265903 -5.79601092 -1.38379679 5.03166748 -2.74221043 1.0552701 -26.29028077 -42.05495392 -48.78542449 -44.56265632 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 93957-55-2 23663976 170465409 A Fluvastatin sodium [Na+].[O-]C(=O)C[C@H](O)C[C@H](O)/C=C/c2c(c1ccccc1n2C(C)C)c3ccc(F)cc3 Tox21_112226_1 -NCGC00159478-04 196717938 tox21-ror-cho-viability-p1 set2 -2.4 33.4914596268 -22.964567724 -2 -24.964567724 4.5044702849 0.8239735554 0.0046438882 -2.36379848 1.27319508 -2.54591326 -3.11824509 -2.41719973 -5.08433338 -3.13689263 0.87664508 -0.70290599 -1.25914803 -4.86460022 1.75642989 -5.33491781 -4.13184162 -20.38713977 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 86-75-9 6855 170465534 A Benzoxiquine O=C(Oc1cccc2cccnc12)c3ccccc3 Tox21_111701_1 -NCGC00274080-01 196717939 tox21-ror-cho-viability-p1 set2 4 0.45273014 0.23763846 0.05741963 1.37767052 6.3124522 4.4002812 6.87411294 5.58177392 4.60238713 3.50802988 2.53950884 0.12839037 -0.07579262 0.35746015 -1.06137941 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-27-1 5756 170465807 A Estriol Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)[C@H](O)C[C@@H]12)c4cc3 Tox21_112320_1 -NCGC00090885-03 196700327 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -16.266572748 2 -14.266572748 4.9549173134 0.7760615068 0.0128415406 3.35507747 -0.12957938 0.57417458 1.82759774 6.9903943 1.66549986 1.89252299 2.96298752 2.92158359 3.63560517 -0.87615605 1.79877521 1.16799634 0.79164587 -11.05547729 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00255615-01 196700744 tox21-ror-cho-viability-p1 set1 4 61.130564862 -21.43922044 1.5 -19.93922044 1.78848746 0.8024920163 0.007631788 1.04406528 0.67393046 1.11484792 0.36294184 1.7049306 0.39220718 -0.83280699 8.07958322 -0.0997385 1.00695207 1.45251481 0.10828814 -0.67309126 -5.58783014 -13.2826837 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 299-86-5 9300 144212579 A A Crufomate Clc1cc(ccc1OP(=O)(NC)OC)C(C)(C)C Tox21_302262 -NCGC00256149-01 196700732 tox21-ror-cho-viability-p1 set1 4 1.14104503 -1.90964459 2.80775184 2.51658249 1.7743348 -0.27479927 2.47080435 2.67241247 -1.91261294 3.13329156 0.88665888 3.74478462 1.87866974 1.86153711 0.33049691 2.359E-9 5.276E-9 1.18E-8 2.638E-8 5.899E-8 1.3189999999E-7 2.949E-7 6.595E-7 0.000001475 0.000003297 0.0000073729999999 0.000016489999999 0.00003687 0.000082439999999 0.0001843 25620-58-0 76714 144212046 A A Trimethylhexane-1,6-diamine CC(CC(C)(C)CCN)CN Tox21_301729 -NCGC00256144-01 196700743 tox21-ror-cho-viability-p1 set1 4 0.0043277126 6.739562864 -5.739562864 1 4.9549173134 0.4904252695 0.189565363 -1.22042368 -10.19963572 2.3693831 0.78380826 2.32072531 -1.64913413 1.0052494 0.43347239 1.61735229 1.80794442 1.30639115 3.12158666 -1.20989908 0.10297392 1.08684741 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13932-13-3 61701 144212632 Ac Ac Potassium tetrathionate [K+].[K+].O=S(=O)([O-])SSS([O-])(=O)=O Tox21_302315 -NCGC00255404-01 196701141 tox21-ror-cho-viability-p1 set1 4 28.8089039214 11.297492868 -0.797492868 10.5 4.9549173134 0.8073517985 0.0069024914 -3.0457485 1.56082109 0.82085617 -0.80249329 -0.58263394 -1.41655509 -0.41184242 -1.07587901 -4.41457739 1.4042965 1.93312763 -1.4283654 -1.0824906 9.00311518 9.82566191 1.121E-9 2.507E-9 5.6069999999E-9 1.254E-8 2.8029999999E-8 6.268E-8 1.402E-7 3.134E-7 7.0079999999E-7 0.0000015669999999 0.000003504 0.000007836 0.000017519999999 0.00003918 0.000087599999999 654055-01-3 18542136 144211533 A A Morin hydrate O.O.Oc3ccc(C=2Oc1cc(O)cc(O)c1C(=O)C=2O)c(O)c3 Tox21_301216 -NCGC00256020-01 196701145 tox21-ror-cho-viability-p1 set1 4 -2.8048558 -1.72783559 -3.25663476 0.19523882 -2.91410491 3.47447625 -7.40747313 1.25252259 -3.51443696 0.09139156 4.17673972 -1.91935994 0.68777701 0.71931029 5.45864192 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3848-24-6 19707 144212666 F 2,3-Hexanedione CC(=O)C(=O)CCC Tox21_302349 -NCGC00255389-01 196701146 tox21-ror-cho-viability-p1 set1 4 54.4826732819 15.717368392 -1.717368392 14 2.3531167061 0.8470311263 0.0025148602 -0.42431067 -2.75255594 -1.21159486 -2.54092366 -0.99282955 1.42470458 -3.03635332 -3.47683268 -2.56149258 -0.96438329 -3.51447366 -2.85893788 1.30114881 3.15040866 10.65897784 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 366-70-1 9703 144212635 B D Procarbazine hydrochloride Cl.CC(C)NC(=O)c1ccc(CNNC)cc1 Tox21_302318 -NCGC00090708-05 196701151 tox21-ror-cho-viability-p1 set1 4 27.3060203028 -20.494472312 0 -20.494472312 0.3 0.4993667425 0.1794112845 -0.89743865 -2.09974712 -0.68055224 0.07880052 -0.03442854 -8.9597893 -0.929355 -5.1702843 -11.46228811 -2.08723638 -8.50666985 -0.33276254 -10.2470771 -15.41206026 -12.13867984 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00255392-01 196701154 tox21-ror-cho-viability-p1 set1 4 -0.6372021 -6.48056189 -2.02254522 -2.15378605 -1.40338077 -1.61198889 -4.60224746 -4.55912798 -1.21985579 -0.33423565 -0.77090578 -0.50969483 -1.67591994 0.21690904 -1.08630976 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56038-89-2 91984 144212127 A Fc N-(1-Ethylpropyl)-3,4-xylidine CCC(CC)Nc1cc(C)c(C)cc1 Tox21_301810 -NCGC00090773-04 196701164 tox21-ror-cho-viability-p1 set1 4 0.96840133 -0.22230938 -6.06406142 -4.19492671 -4.11992471 4.86707668 -1.38076185 0.03505356 -0.21128222 5.51587083 -8.58223957 0.1862169 4.8756111 -0.81341304 -1.14040064 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00257775-01 196701571 tox21-ror-cho-viability-p1 set1 4 -10.3319408 1.02696461 0.38840165 -1.38223955 4.43243075 4.86649009 3.80148325 2.31422771 1.34734806 -7.16047457 -0.84621251 1.45434664 -1.77278849 -7.45680368 1.44513492 1.149E-9 2.569E-9 5.744E-9 1.284E-8 2.872E-8 6.422E-8 1.436E-7 3.211E-7 7.1799999999E-7 0.000001606 0.0000035899999999 0.000008028 0.00001795 0.00004014 0.00008976 75-77-4 6397 144207419 FC Chlorotrimethylsilane C[Si](C)(C)Cl Tox21_200221 -NCGC00257680-01 196701575 tox21-ror-cho-viability-p1 set1 -2.4 6.6849533524 -25.0386905239 0.5 -24.5386905239 1.752947691 0.8613357431 0.0015668439 6.64838608 2.141361 -0.36717524 3.64575014 -3.07131569 -8.74874733 -0.49080395 4.34378869 -0.75971024 0.41911114 -8.56094438 -11.6181512 -21.38243222 -27.94890877 -20.85783422 1.155E-9 2.583E-9 5.7769999999E-9 1.292E-8 2.8879999999E-8 6.458E-8 1.444E-7 3.229E-7 7.2209999999E-7 0.000001615 0.0000036099999999 0.000008073 0.000018049999999 0.00004036 0.00009026 97-02-9 7321 144207324 A A 2,4-Dinitroaniline O=[N+]([O-])c1cc(ccc1N)[N+]([O-])=O Tox21_200126 -NCGC00258238-01 196715935 tox21-ror-cho-viability-p1 set2 4 0.38693632 -0.13775293 -5.94406889 0.33774892 2.40102333 -4.41999999 -4.44760676 -0.33093027 -1.76657468 0.51447752 -5.70964496 2.3530819 0.10079765 2.44378941 -6.05649896 1.1699999999E-9 2.6159999999E-9 5.85E-9 1.3079999999E-8 2.925E-8 6.5409999999E-8 1.463E-7 3.27E-7 7.3129999999E-7 0.000001635 0.000003656 0.000008176 0.00001828 0.00004088 0.00009141 3748-13-8 77353 144207882 A Ac 1,3-Diisopropenylbenzene CC(=C)c1cccc(c1)C(=C)C Tox21_200684 -NCGC00015060-14 196715943 tox21-ror-cho-viability-p1 set2 2.4 60.7577547203 26.303374112 -1.303374112 25 4.0949729863 0.8457479509 0.0025720276 1.75834744 1.2787055 -4.46568344 -5.25281176 -0.37018014 -3.93633199 1.57973465 -1.57068025 -4.42867591 1.348953 -0.57499534 1.31749028 -1.7799251 2.98297587 20.74098288 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00258379-01 196715532 tox21-ror-cho-viability-p1 set2 4 0.19217504 2.80876117 0.56106524 3.86938417 4.37757745 1.04519785 2.36080096 3.62244855 4.49137877 3.46666937 -4.92738969 2.33126009 5.40810192 1.29396009 0.05643894 1.2009999999E-9 2.686E-9 6.005E-9 1.3429999999E-8 3.003E-8 6.714E-8 1.501E-7 3.3569999999E-7 7.507E-7 0.000001679 0.000003753 0.000008393 0.000018769999999 0.00004196 0.000093829999999 792188-85-3 53316418 144208023 A A Diethylmethylsulfonium bis(trifluoromethylsulfonyl)imide FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.CC[S+](C)CC Tox21_200825 -NCGC00257812-01 196715538 tox21-ror-cho-viability-p1 set2 4 0.38020729 1.65202883 4.91159406 -0.43564725 2.12993068 -0.33309349 1.82872651 0.31358364 -0.01084938 0.36649066 0.43919923 0.55316671 -3.67710446 -0.1302262 -3.57044508 1.155E-9 2.5839999999E-9 5.7769999999E-9 1.292E-8 2.889E-8 6.459E-8 1.444E-7 3.23E-7 7.2219999999E-7 0.000001615 0.000003611 0.000008074 0.000018049999999 0.000040369999999 0.000090269999999 21416-67-1 30623 144207456 A A ICRF-159 O=C2CN(CC(C)N1CC(=O)NC(=O)C1)CC(=O)N2 Tox21_200258 -NCGC00258234-01 196715948 tox21-ror-cho-viability-p1 set2 4 0.18877652 -3.69745948 -0.7250265 -1.36171313 -1.49588313 -1.05934131 -1.32281826 -5.05537208 1.36189144 -0.84278061 -0.60348502 -2.25177317 0.8433351 1.54280273 -2.87190825 1.1989999999E-9 2.68E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.701E-8 1.4979999999E-7 3.351E-7 7.492E-7 0.000001675 0.000003746 0.0000083759999999 0.00001873 0.00004188 0.00009365 5131-66-8 21210 144207878 A A 1-Butoxy-2-propanol CC(O)COCCCC Tox21_200680 -NCGC00257696-01 196715952 tox21-ror-cho-viability-p1 set2 4 4.30525716 5.85815799 3.39721231 2.59415847 4.90345642 -0.31730288 1.38897735 1.20578772 6.05280929 0.31107335 1.28590582 -0.9399972 0.60671226 -0.54503081 0.47647165 1.1739999999E-9 2.625E-9 5.871E-9 1.3129999999E-8 2.9349999999E-8 6.564E-8 1.468E-7 3.282E-7 7.338E-7 0.000001641 0.000003669 0.000008204 0.00001835 0.00004102 0.00009173 85-44-9 6811 144207340 A A Phthalic anhydride O=C1OC(=O)c2ccccc12 Tox21_200142 -NCGC00090708-05 196716354 tox21-ror-cho-viability-p1 set2 -1.2 9.6885416101 -53.3323455448 -1.498350686 -54.8306962308 2.1210667061 0.9916898272 1.6E-9 -0.38009104 0.7084853 -3.83069069 -2.89430053 1.22792232 -2.17226528 -2.9716049 -3.18780072 -1.49406844 -1.97226871 -8.82078929 -22.85873421 -42.75405427 -53.75558454 -26.29973944 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00258556-01 196716353 tox21-ror-cho-viability-p1 set2 4 -0.47666652 -0.47305442 -2.56480356 0.2298302 3.24786378 -0.27102464 0.59553778 0.27178321 -2.15634582 1.17301689 -2.56929783 0.53761872 0.56292877 0.71680798 2.56158184 1.173E-9 2.622E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.3299999999E-7 0.0000016389999999 0.000003665 0.000008195 0.00001832 0.000040969999999 0.00009162 94-70-2 7203 144208201 A A 2-Ethoxyaniline CCOc1ccccc1N Tox21_201003 -NCGC00257581-01 196716370 tox21-ror-cho-viability-p1 set2 4 7.625499099 5.5751291799 -2.5751291799 3 3.1319983358 0.5653357984 0.1255261502 -0.67836279 -0.9953822 -3.4559186 -7.56260765 0.19149433 -2.91366429 0.44348308 -3.56210509 -3.32217701 -1.94425121 -1.6184043 0.37687984 3.58404841 2.52708447 2.675419 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.5479999999E-8 1.464E-7 3.274E-7 7.3209999999E-7 0.000001637 0.0000036609999999 0.000008185 0.0000183 0.000040929999999 0.000091519999999 78-95-5 6571 144207225 CC 1-Chloropropan-2-one CC(=O)CCl Tox21_200027 -NCGC00159473-05 196716784 tox21-ror-cho-viability-p1 set2 2.4 68.3107079272 22.3605997479 -1.3605997479 21 3.6772481694 0.7994130884 0.0081291517 -1.79247112 -6.55049979 0.32919898 -1.80933989 2.03369986 -2.04427843 -2.10140769 1.11897492 0.51443134 -4.12241656 -0.27715532 -0.62960499 0.19001561 1.27591689 15.29337771 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004107 0.00009184 3616-78-2 16219349 144206418 A A (-)-Fenfluramine hydrochloride Cl.FC(F)(F)c1cccc(C[C@@H](C)NCC)c1 Tox21_112865 -NCGC00167536-03 196716786 tox21-ror-cho-viability-p1 set2 1.1 0.5955717307 91.0513738919 -1.8310450435 89.2203288484 2.4063783767 0.9918524492 1.4E-9 -4.97041248 -4.29809364 -0.79489956 0.30969835 -1.04581924 -3.92689018 -0.37856577 4.13295797 18.89145501 61.01628665 90.90264844 87.37656768 92.36058887 80.01715564 69.10886063 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 115964-29-9 93858 170466053 A Tosufloxacin toluenesulfonic acid O=S(=O)(O)c1ccc(C)cc1.O=C(O)C2=CN(c1nc(c(F)cc1C2=O)N3CCC(N)C3)c4ccc(F)cc4F Tox21_112533_1 -NCGC00080392-05 196716791 tox21-ror-cho-viability-p1 set2 4 5.76592954 4.53297575 1.13214234 5.79796737 5.19466486 0.95979988 1.16139767 -0.0925037 -0.61552021 0.92841581 -0.07479423 0.22544284 -0.01906249 -0.69802105 4.57357981 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 732-11-6 12901 170466810 A Phosmet COP(=S)(OC)SCN2C(=O)c1ccccc1C2=O Tox21_110993_1 -NCGC00160418-02 196697496 tox21-ror-cho-viability-p1 set1 4 0.24870018 4.55868954 4.31058201 3.02412494 1.29424625 1.12775493 7.86290449 6.57308284 0.54369011 2.49735828 2.74115661 4.22262675 5.19542947 5.00034264 0.35437108 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83471-41-4 71267 170466105 A Pincainide Cc2cccc(C)c2NC(=O)CN1CCCCCC1 Tox21_111801_1 -NCGC00344565-01 196697444 tox21-ror-cho-viability-p1 set1 4 0.17640083 1.22832544 1.21322639 1.67423022 2.13237814 -1.09421557 2.17807331 -1.20998286 1.59905907 1.54890514 2.41726692 -0.02415846 2.56530604 -0.4172482 0.48569766 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 108612-45-9 65906 170465604 A Mizolastine O=C1C=CN=C(N1)N(C)C2CCN(CC2)c4nc5ccccc5n4Cc3ccc(F)cc3 Tox21_112663_1 -NCGC00178697-04 196697447 tox21-ror-cho-viability-p1 set1 4 1.12854127 0.19152111 0.65309324 1.67816242 0.40886297 -0.20156006 1.13824211 -5.30772391 1.06208758 0.55142338 0.81934644 1.95079803 1.93345759 -0.90996977 -1.09762718 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 100286-90-6 74990 170464824 A Irinotecan Cl.CC[C@]3(O)C=4C=C5c6nc7ccc(OC(=O)N1CCC(CC1)N2CCCCC2)cc7c(CC)c6CN5C(=O)C=4COC3=O Tox21_111479_1 -NCGC00181030-02 196697477 tox21-ror-cho-viability-p1 set1 4 0.04724432 0.07930702 -5.22939556 0.08110366 3.42958654 0.56607941 0.21163462 2.22197431 3.12115539 0.31689737 0.82511732 1.44495411 3.91416752 1.89864737 -0.25783084 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66-22-8 1174 170465915 Z Uracil O=C1C=CNC(=O)N1 Tox21_112680_1 -NCGC00164595-02 196697497 tox21-ror-cho-viability-p1 set1 4 -0.08851754 -0.17002049 -0.44019013 0.90698895 0.64439597 0.80411775 0.37948121 -2.90451251 0.8271427 4.66461482 -2.93233804 -3.30261195 0.00667969 4.63258059 4.71839594 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83480-29-9 444020 170465993 Z Voglibose O[C@H]1[C@@H](NC(CO)CO)C[C@](O)(CO)[C@@H](O)[C@@H]1O Tox21_112220_1 -NCGC00091830-04 196697499 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -12.793710872 -0.5 -13.293710872 4.9549173134 0.6311839618 0.0770470227 0.03247967 1.6919186 -0.39944798 -0.10199703 -0.01077989 0.30667673 0.12008543 -0.12024181 -1.66789141 -4.46717568 0.26389244 3.10410539 -4.21978884 0.02870779 -10.24475906 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00016382-07 196697517 tox21-ror-cho-viability-p1 set1 -2.2 29.8492948118 -68.2134582959 0.9687718319 -67.244686464 4.0949729863 0.9860624895 5.8E-9 0.05219445 2.78717641 2.19023895 2.24871414 3.02504296 2.87127235 -0.25495078 0.7143837 1.47263196 0.24999908 1.23907868 -2.77113211 -3.10197272 -12.62586877 -57.28723872 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 126-27-2 4621 170465643 A Oxethazaine CC(C)(Cc1ccccc1)N(C)C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc2ccccc2 Tox21_110407_1 -NCGC00016003-10 196697519 tox21-ror-cho-viability-p1 set1 4 -1.533207 2.02293481 2.0013167 1.99000075 2.20346828 -0.24248829 -2.45826141 -0.2174628 -11.4446782 2.68572234 2.60375283 -4.40305415 -0.7493312 -0.79527052 -0.42043854 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52-49-3 66007 170464756 A Trihexyphenidyl hydrochloride Cl.OC(CCN1CCCCC1)(c2ccccc2)C3CCCCC3 Tox21_111274_1 -NCGC00016000-13 196697522 tox21-ror-cho-viability-p1 set1 -1.1 0.24906847 -55.5622262624 -2.09545765 -57.6576839124 4.9549173134 0.8814605817 0.0007419027 -3.63096887 3.59444936 -0.82552551 -4.09012043 -5.41431248 -2.9110482 -5.79930649 -47.25633283 -54.96172572 -58.58706311 -49.38875675 -58.38467037 -60.22125182 -36.36111156 -87.36012714 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00179556-03 196697524 tox21-ror-cho-viability-p1 set1 4 0.59113485 1.61921143 -5.16686707 -2.18557607 1.00616007 -0.49625467 1.15172382 -3.82026165 1.33345697 -3.42131815 0.73946778 -4.82810167 -2.00346709 -3.57767085 -3.39607074 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50370-12-2 47965 170464658 I Cefadroxil CC=3CS[C@H]2N(C(=O)[C@H]2NC(=O)[C@H](N)c1ccc(O)cc1)C=3C(=O)O Tox21_110651_1 -NCGC00159336-03 196697562 tox21-ror-cho-viability-p1 set1 4 -0.43058767 1.2566252 -2.00350929 -0.92337376 -0.12086229 -2.45808206 -1.10338634 -5.35324668 2.2525994 -3.49307726 3.85377448 -1.79791027 -0.84239265 2.0794502 0.30335819 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68373-14-8 130313 170465248 A Sulbactam O=S2(=O)C(C)(C)[C@@H](N1C(=O)C[C@H]12)C(=O)O Tox21_113642_1 -NCGC00357021-01 196712184 tox21-ror-cho-viability-p1 set2 -3 6.1130564862 -64.5316920142 -3.098683235 -67.6303752492 4.9549173134 0.9793669062 0.0000029231 -3.12843511 -1.81119513 -2.97256367 -4.72214006 -0.28039882 -0.87717031 -6.09598809 -5.60346356 0.20624504 -5.63629154 -6.00972426 -55.78058731 -33.69632231 -2.73057116 -37.48637511 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 53-41-8 5879 251919731 A Androsterone O=C4CC[C@@H]3[C@]4(C)CC[C@H]1[C@H]3CC[C@H]2C[C@H](O)CC[C@]12C Tox21_303701 -NCGC00260222-01 196711768 tox21-ror-cho-viability-p1 set2 2.4 68.6593799697 20.923865016 1.076134984 22 3.5722481694 0.8481586008 0.0024163268 -1.18655418 1.40291408 0.99019545 1.42263235 -0.65028012 4.06331082 1.36089461 0.34103592 2.6155234 0.84077246 5.38301275 1.1335236 1.8241618 3.87774863 16.85609562 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.0000036909999999 0.000008252 0.000018449999999 0.000041259999999 0.00009226 26576-84-1 13240377 144209872 A A 1-Butyl-2-methylpyridinium bromide [Br-].Cc1cccc[n+]1CCCC Tox21_202674 -NCGC00257201-01 196719206 tox21-ror-cho-viability-p1 set2 4 1.06791927 0.71612608 1.95378402 -0.96972259 1.87784558 3.13081394 3.36504005 4.91097954 4.67486669 3.94173213 1.20571965 1.70250662 0.59686811 2.84809261 5.32077855 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-37-6 7804 144213473 A Ac 1,4-Dibromobenzene Brc1ccc(Br)cc1 Tox21_303156 -NCGC00091775-03 196719190 tox21-ror-cho-viability-p1 set2 -2.4 21.6899429044 -24.2836320079 -2 -26.2836320079 1.6604358099 0.8768737228 0.0008952969 -5.95945496 1.51591487 0.11776951 -3.98623605 -4.3459965 -4.16262403 -2.91554632 -1.2706078 1.03145584 1.34967524 -3.50430607 -4.63860025 -16.52603365 -16.32131129 -26.06969334 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00256495-01 196719195 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -54.6075754121 2.5866504619 -52.0209249502 4.9549173134 0.9519574046 0.0000067639 3.58432656 5.37642517 4.97953512 -0.6689775 4.92634029 2.07548677 1.09956966 6.58371699 2.87251347 -1.71784708 1.9066565 -1.79073967 1.00068218 -0.36871424 -41.68327377 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 396-01-0 5546 144213150 A A Triamterene Nc2nc(N)nc1nc(N)c(nc12)c3ccccc3 Tox21_302833 -NCGC00257084-01 196719204 tox21-ror-cho-viability-p1 set2 4 1.15484584 2.27526099 3.20962381 3.7905249 3.84950183 4.30010954 -0.10688922 -0.50402787 2.20520562 3.1773054 -1.12840565 2.53009397 -1.66272704 1.61517805 3.2386402 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 3689-24-5 19395 144213452 A F Sulfotepp CCOP(=S)(OCC)OP(=S)(OCC)OCC Tox21_303135 -NCGC00254781-01 196719627 tox21-ror-cho-viability-p1 set3 4 6.8769307 -0.32008596 -3.63491485 -6.46843537 6.52920059 0.10768343 -5.72593262 3.21390125 14.13265354 13.81024944 0.67388494 -2.68140987 13.63997778 1.26702756 1.95674645 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1823-59-2 74574 144211194 A A 5,5'-Oxybis(2-benzofuran-1,3-dione) O=C1OC(=O)c2ccc(cc12)Oc3ccc4C(=O)OC(=O)c4c3 Tox21_300877 -NCGC00254243-01 196719631 tox21-ror-cho-viability-p1 set3 -1.2 30.6378586933 -47.883180397 -3.935127971 -51.818308368 4.5044702849 0.9398142969 0.0000229802 -8.58814268 -12.83595205 -7.15681532 -7.32330261 -4.29684403 -5.32581257 0.37387516 -0.58833758 0.16234233 0.12661778 -1.43998288 0.24725911 -9.1644142 -42.58826683 -53.97740455 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-20-2 7547 144210799 A A Triclocarban Clc2ccc(NC(=O)Nc1ccc(Cl)cc1)cc2Cl Tox21_300481 -NCGC00254389-01 196719641 tox21-ror-cho-viability-p1 set3 4 0.0034376243 -16.9425248479 14 -2.9425248479 2.4063783767 0.6765265199 0.0495201298 12.58592877 11.31566783 -5.6041665 0.18169414 4.10029981 -5.43337988 -7.45210404 -1.35269411 -5.05176315 -2.51980426 0.04779261 -6.26121989 -5.06561983 -3.26120529 -0.80713993 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-04-9 196 144210662 A A Hexanedioic acid OC(=O)CCCCC(=O)O Tox21_300344 -NCGC00254785-01 196719650 tox21-ror-cho-viability-p1 set3 4 4.04152215 12.78400714 7.59083695 12.45457719 10.91010076 3.95945813 7.53621212 4.13583162 11.02725946 13.59238148 -3.25476019 9.26935125 8.37080901 4.61385806 2.71571433 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 571-58-4 11304 144211198 A Ac 1,4-Dimethylnaphthalene Cc1ccc(C)c2ccccc12 Tox21_300881 -NCGC00091080-03 196720048 tox21-ror-cho-viability-p1 set3 4 0.7228723733 -12.542745848 -1.5 -14.042745848 4.9549173134 0.5552175158 0.146675694 -4.59332357 -10.1088715 -0.38720381 2.36384766 -1.59393605 -2.14296852 1.88598108 3.10863183 -7.59775175 -25.03562154 -5.44682239 -8.37456305 -17.34565564 -13.31407832 0.5474477 1.1199999999E-9 2.5029999999E-9 5.5979999999E-9 1.2519999999E-8 2.799E-8 6.259E-8 1.399E-7 3.129E-7 6.9969999999E-7 0.0000015649999999 0.000003499 0.000007823 0.000017489999999 0.00003912 0.00008747 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00257835-01 196716316 tox21-ror-cho-viability-p1 set2 4 0.4970696 2.48313277 0.4213242 -1.84090066 1.49600376 3.33519791 1.1478215 3.84875448 -5.34504695 4.22650109 -3.63644988 1.59690378 1.46188113 0.40649126 2.04216667 1.194E-9 2.671E-9 5.9709999999E-9 1.335E-8 2.986E-8 6.676E-8 1.493E-7 3.338E-7 7.464E-7 0.000001669 0.000003732 0.000008345 0.00001866 0.000041729999999 0.000093299999999 110-03-2 8031 144207479 A A 2,5-Dimethylhexane-2,5-diol CC(O)(C)CCC(C)(C)O Tox21_200281 -NCGC00090962-05 196716303 tox21-ror-cho-viability-p1 set2 4 34.166596305 -12.164042816 1.5 -10.664042816 1.692447691 0.7611457118 0.0165923371 5.09459863 0.39639877 2.25831145 3.29873724 1.98778865 1.72380453 -0.20683648 -2.67082444 3.57273404 0.45574769 1.74109834 0.48640284 -2.59424773 -4.60995981 -9.72003568 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00257691-01 196716306 tox21-ror-cho-viability-p1 set2 4 0.37441517 3.09808222 2.36219728 2.46006063 3.34697252 1.51698216 1.21223224 3.66807968 2.81435445 4.37779156 0.25750742 4.25150359 1.37268759 0.76157122 2.0436556 1.162E-9 2.599E-9 5.812E-9 1.2999999999E-8 2.9059999999E-8 6.4979999999E-8 1.453E-7 3.249E-7 7.265E-7 0.000001624 0.000003632 0.000008122 0.00001816 0.00004061 0.000090809999999 122-04-3 8502 144207335 A F 4-Nitrobenzoyl chloride O=[N+]([O-])c1ccc(cc1)C(Cl)=O Tox21_200137 -NCGC00257927-01 196702808 tox21-ror-cho-viability-p1 set1 4 -1.67592971 2.2331711 -0.42421067 -5.41663115 -4.15535043 0.33171495 -10.14453324 -2.3351833 5.10873576 -4.74172629 -5.20397097 -3.47869262 -5.07968307 -4.89993892 -3.37267772 1.165E-9 2.605E-9 5.825E-9 1.302E-8 2.912E-8 6.5119999999E-8 1.456E-7 3.256E-7 7.281E-7 0.000001628 0.000003641 0.000008141 0.0000182 0.0000407 0.00009101 89-98-5 6996 144207571 A A 2-Chlorobenzaldehyde O=Cc1ccccc1Cl Tox21_200373 -NCGC00090750-04 196702393 tox21-ror-cho-viability-p1 set1 4 3.9041950501 -14.1622110399 -0.5 -14.6622110399 1.21 0.7174448945 0.0308276653 2.07120143 0.1598044 2.62887501 2.75348159 -3.00797966 -7.31134637 -1.5149392 -2.0301549 -1.640458 -1.30807901 -8.18881664 -10.03481377 -18.4685092 -7.45223119 -15.56819132 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00257660-01 196702394 tox21-ror-cho-viability-p1 set1 4 -7.49388832 -4.39300293 1.22314197 -4.30750951 -14.22340098 -0.51417452 -13.53644395 3.80527611 -0.21578047 -11.75325305 -4.77625878 -11.3730747 -6.77739489 -3.9815795 -4.61100539 1.195E-9 2.6729999999E-9 5.9769999999E-9 1.337E-8 2.989E-8 6.683E-8 1.494E-7 3.341E-7 7.4709999999E-7 0.000001671 0.000003736 0.000008353 0.000018679999999 0.00004177 0.00009339 59-14-3 6035 144207304 A A 5-Bromo-2'-deoxyuridine BrC1=CN(C(=O)NC1=O)[C@H]2C[C@H](O)[C@@H](CO)O2 Tox21_200106 -NCGC00091657-02 196702811 tox21-ror-cho-viability-p1 set1 4 24.3365162115 -9.6992958319 1.5 -8.1992958319 4.9549173134 0.448418444 0.2449302492 2.21506986 -0.76304827 0.50643402 1.9730312 1.24984963 0.30434661 2.66107539 0.78174693 5.22376024 3.96929341 -6.1312871 3.85705287 -0.75780928 -7.66607986 0.95262694 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00090702-02 196702814 tox21-ror-cho-viability-p1 set1 4 1.60223612 0.01629295 0.72462307 7.39476509 3.10273531 1.73007152 1.44116666 3.6050151 -0.07040678 6.1808381 4.0674582 -0.0162493 1.23936924 0.21538593 2.01519872 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00258676-01 196702817 tox21-ror-cho-viability-p1 set1 4 0.3247229 0.62091374 0.83016729 4.46821902 3.69539306 4.04184822 1.44748108 2.62208405 3.4958763 0.97609675 1.34014017 0.84404072 3.07410078 1.93520752 -0.58545936 1.156E-9 2.5839999999E-9 5.779E-9 1.292E-8 2.889E-8 6.461E-8 1.4449999999E-7 3.23E-7 7.224E-7 0.000001615 0.000003612 0.000008076 0.000018059999999 0.00004038 0.00009029 592-51-8 11604 144208322 A Ac 4-Pentenenitrile C=CCCC#N Tox21_201124 -NCGC00258444-01 196702818 tox21-ror-cho-viability-p1 set1 -2.2 60.0752598112 -41.5284826932 -3 -44.5284826932 1.4641 0.8282414395 0.0041391948 -0.6902415 -8.72478676 -1.89894932 -2.83208537 -0.12537376 -0.66856673 -7.96142446 -5.44967862 4.66322064 -4.23647345 -8.19848175 -4.50514063 -8.89761677 -14.84792826 -33.73369901 1.163E-9 2.602E-9 5.817E-9 1.301E-8 2.909E-8 6.5039999999E-8 1.454E-7 3.252E-7 7.2719999999E-7 0.0000016259999999 0.000003636 0.00000813 0.00001818 0.00004065 0.000090889999999 793-24-8 13101 144208088 A B N-(1,3-Dimethylbutyl)-N'-phenyl-p-phenylenediamine CC(C)CC(C)Nc1ccc(cc1)Nc2ccccc2 Tox21_200890 -NCGC00257755-01 196702820 tox21-ror-cho-viability-p1 set1 4 0.0153709205 4.812931924 -1.312931924 3.5 4.9549173134 0.433231867 0.2603374448 0.03117613 0.53269871 -4.42744327 0.2331191 6.83160166 2.91420594 7.44990073 1.49877755 5.42210459 1.20289475 3.80070755 0.96201333 3.97815144 0.44096861 1.38772478 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.000041259999999 0.000092249999999 13506-76-8 16097 144207399 A A 2-Methyl-6-nitrobenzoic acid O=[N+]([O-])c1cccc(C)c1C(=O)O Tox21_200201 -NCGC00163774-04 196699939 tox21-ror-cho-viability-p1 set1 4 -0.39288472 -0.414207 -2.47952939 2.75024963 -1.29282826 2.75699645 -0.46430744 0.17439484 -1.8118477 -1.22070376 -7.63817803 0.0586734 1.58713999 -9.70897755 -1.72392944 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00254662-01 196699921 tox21-ror-cho-viability-p1 set1 4 -1.80709086 -0.27625415 -8.33547637 -3.38783637 2.36712188 -1.08399819 0.07805946 0.89980989 -0.03302504 -0.57353874 -0.47613679 1.08567354 0.7735741 -5.12515214 -2.37847728 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10238-21-8 3488 144211075 A A Glybenclamide O=C(NC1CCCCC1)NS(=O)(=O)c3ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc3 Tox21_300758 -NCGC00254443-01 196699923 tox21-ror-cho-viability-p1 set1 -1.1 1.0870722482 -86.7972174152 0.5922105869 -86.2050068283 1.4641 0.9878037618 2.7E-9 -2.09820027 -0.29707318 -0.28083182 -0.35466623 -1.48171026 0.3896155 -0.91534778 -8.77614023 -23.30187703 -66.30816385 -74.27672654 -75.37642772 -83.84164949 -88.68827863 -86.11967457 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7487-94-7 5284416 144210809 Mercuric chloride [Hg+2].[Cl-].[Cl-] Tox21_300491 -NCGC00254389-01 196699929 tox21-ror-cho-viability-p1 set1 4 -2.28090507 1.32468585 3.2826676 -3.37344106 0.48880871 -0.22456997 1.63769429 1.59874739 -0.53160991 -4.73399372 0.75483346 0.64662188 -3.23771304 1.65952071 2.24201285 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-04-9 196 144210662 A A Hexanedioic acid OC(=O)CCCCC(=O)O Tox21_300344 -NCGC00159325-05 196717608 tox21-ror-cho-viability-p1 set2 4 -4.00542173 -7.04358343 -1.71691108 -7.58262138 -7.11523845 -5.11115299 -3.85402062 -3.25266418 -0.87353326 -4.56041497 -1.30158259 0.88687621 0.30918837 -3.90942476 -3.80898759 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 100643-71-8 124087 170464781 A Desloratadine Clc2cc3CCc4cccnc4\C(=C1\CCNCC1)c3cc2 Tox21_111574_1 -NCGC00181756-01 196717617 tox21-ror-cho-viability-p1 set2 4 1.79319467 0.51013962 2.60617093 7.65420379 4.49692993 2.99005317 7.65290619 6.34078396 2.40856541 3.04624921 1.92498124 0.91247648 0.70758904 0.10283563 1.78240335 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 11042-64-1 5282164 144206489 F D gamma-Oryzanol Oc1ccc(cc1OC)/C=C/C(=O)O[C@H]4CC[C@]63C[C@@]56CC[C@]2(C)[C@H](CC[C@@]2(C)[C@@H]5CC[C@H]3C4(C)C)[C@H](C)CC\C=C(/C)C Tox21_112482_1 -NCGC00091655-05 196717619 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -14.43953916 2 -12.43953916 4.0949729863 0.6190749654 0.0845431681 0.99421041 -0.52413017 2.14487346 1.43845681 5.06982167 3.92594061 7.44511303 5.26638852 2.27320262 0.7582979 -0.18605036 -0.43776499 -0.38985749 0.41496811 -9.5329493 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80-46-6 6643 170466884 F 4-(2-Methylbutan-2-yl)phenol Oc1ccc(cc1)C(C)(C)CC Tox21_111159_1 -NCGC00160422-02 196717621 tox21-ror-cho-viability-p1 set2 4 -0.76472355 -2.65992921 0.66676912 0.07139408 0.24748137 1.19285355 4.12861352 3.63254689 0.20335405 -0.13872883 0.24008786 -0.18676407 3.96927458 -0.0639333 5.03603616 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 151-06-4 65477 170465307 A Chlorphentermine hydrochloride Cl.Clc1ccc(CC(C)(C)N)cc1 Tox21_111804_1 -NCGC00091146-04 196718029 tox21-ror-cho-viability-p1 set2 -2.4 34.3762428541 -21.594317468 -2.5 -24.094317468 3.1319983358 0.8544779192 0.001966908 -6.23297829 -3.57167596 -8.38258337 -4.22118814 0.23620317 -4.9058025 -0.20199909 -2.48818328 0.46970197 -1.11511094 1.14178116 -2.52671464 -3.74424374 -16.34181636 -25.07859789 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00091663-03 196715549 tox21-ror-cho-viability-p1 set2 4 -1.14380437 -1.30815876 -6.20545835 -2.17296285 -7.67643288 -0.76449236 -2.89774852 -1.88024569 -2.69535514 -6.66713742 0.21722838 -7.10853984 0.57259849 -0.65771501 0.85484691 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00254996-01 196715130 tox21-ror-cho-viability-p1 set2 4 -0.25320936 0.01761664 1.20103165 2.8440495 0.45295678 4.1657533 2.42191261 0.09656858 1.31043237 2.30379572 1.77884282 5.64255633 5.06951459 2.10920567 6.41906417 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 69377-81-7 50465 144211413 A A Fluroxypyr O=C(O)COc1nc(F)c(Cl)c(N)c1Cl Tox21_301096 -NCGC00254518-01 196715151 tox21-ror-cho-viability-p1 set2 4 0.1524605965 11.601522224 -0.101522224 11.5 0.8999999999 0.8653694758 0.0013775788 -0.32437424 0.38477955 1.98713241 -0.50126852 0.24913644 5.31791479 7.65001656 5.4821654 8.93139826 11.23205632 9.10155833 13.89903995 14.66159295 10.92502235 8.58324853 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.0000036659999999 0.000008198 0.00001833 0.00004099 0.000091659999999 4291-63-8 20279 144210913 A A Cladribine Nc3nc(Cl)nc2c3ncn2[C@H]1C[C@H](O)[C@@H](CO)O1 Tox21_300596 -NCGC00254324-01 196715153 tox21-ror-cho-viability-p1 set2 4 48.5577336745 -18.07429126 -8.1514942479 -26.2257855079 0.3 0.5007661195 0.1960351308 -7.6255123 -12.0074488 -7.63095641 -7.20957854 -7.26736307 -15.03691036 -12.00038242 -13.02286023 -8.23772767 -15.17519093 -13.66044259 -14.19797382 -12.14706816 -20.18815459 -11.10072672 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 496-72-0 10332 144210825 A D 3,4-Diaminotoluene Cc1cc(N)c(N)cc1 Tox21_300507 -NCGC00257874-01 196715558 tox21-ror-cho-viability-p1 set2 4 0.0060013279 5.034364624 -5.034364624 0 4.9549173134 0.4673546222 0.2121962113 -1.82429889 -8.36197052 -2.39590201 -1.57465367 -0.1071854 2.18537197 -2.79169538 -1.63483421 0.53912632 2.40807979 -1.41105336 -1.3672667 1.67605913 1.3051381 0.92696358 1.162E-9 2.598E-9 5.808E-9 1.299E-8 2.9039999999E-8 6.494E-8 1.4519999999E-7 3.247E-7 7.2599999999E-7 0.000001623 0.0000036299999999 0.000008117 0.000018149999999 0.00004059 0.00009076 50-30-6 5758 144207518 Z Z 2,6-Dichlorobenzoic acid OC(=O)c1c(Cl)cccc1Cl Tox21_200320 -NCGC00257683-01 196715562 tox21-ror-cho-viability-p1 set2 4 2.46619967 0.9414729 -2.25094608 -0.40348166 -14.78991343 3.43377337 3.34687385 3.65929431 1.59983184 3.62884265 0.56150126 0.26564058 1.11023732 1.96197499 1.31067932 1.2089999999E-9 2.703E-9 6.0439999999E-9 1.3509999999E-8 3.022E-8 6.757E-8 1.511E-7 3.379E-7 7.5549999999E-7 0.000001689 0.000003777 0.000008446 0.00001889 0.000042229999999 0.00009443 100-53-8 7509 144207327 A A Benzenemethanethiol SCc1ccccc1 Tox21_200129 -NCGC00166203-02 196697324 tox21-ror-cho-viability-p1 set1 4 -0.16988237 -3.1907634 -2.9783626 -1.06380928 0.35709783 -2.19543391 0.53813075 -3.32592298 0.57946402 -0.42772975 0.49896106 0.85781655 0.8020751 -0.07582432 -4.78838882 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1715-40-8 15583 170466531 F Bromociclen ClC2(Cl)C1(Cl)CC(CBr)C2(Cl)C(Cl)=C1Cl Tox21_112345_1 -NCGC00015957-06 196697316 tox21-ror-cho-viability-p1 set1 4 -0.65027163 1.0931977 -6.75708585 -0.97965287 0.00275207 -0.58828358 -0.98874054 0.14912187 0.96981271 -0.82822656 0.83175924 1.48343467 2.40319551 0.64948935 -6.5161459 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104076-39-3 11957725 170466873 A Zolantidine dimaleate O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O.c1cccc2sc(nc12)NCCCOc4cc(CN3CCCCC3)ccc4 Tox21_111285_1 -NCGC00163919-02 196697320 tox21-ror-cho-viability-p1 set1 4 -0.41300951 -1.14728151 -0.17484095 0.03898018 1.35681891 -0.80776844 0.78424855 -0.37184415 2.38787719 -1.09110538 1.69903497 1.18647847 1.22041017 0.63676784 -1.69023336 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00179546-05 196697321 tox21-ror-cho-viability-p1 set1 4 -1.51066715 -1.90792779 -0.85111423 0.96342923 -0.22772676 -2.56046201 0.56794181 -1.31516639 -3.12159677 -0.48115336 0.08317539 -1.9104843 -2.17894109 -1.6463115 -1.07399579 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 81732-46-9 54765 170466370 A Bambuterol hydrochloride Cl.O=C(Oc1cc(cc(c1)OC(=O)N(C)C)C(O)CNC(C)(C)C)N(C)C Tox21_110702_1 -NCGC00160493-02 196697348 tox21-ror-cho-viability-p1 set1 4 -3.09684346 -1.57932768 0.15646844 -4.59207927 -1.42052952 -2.13338764 -2.00081552 1.92817025 -3.39230539 -1.41626813 0.93231515 -4.33934197 -4.73491768 -4.2123619 0.6468109 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16543-10-5 27918 170466379 A Fosenazide O=P(CC(=O)NN)(c1ccccc1)c2ccccc2 Tox21_111853_1 -NCGC00254780-01 196714248 tox21-ror-cho-viability-p1 set2 4 0.24259368 0.60971533 -3.4847592 0.74419583 -0.14828404 1.35194451 -0.18932899 -0.03054415 0.18212094 0.58366087 0.51567923 2.62296578 5.32293996 -0.07692219 0.94223918 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 1702-17-6 15553 144211193 A A Clopyralid Clc1ccc(Cl)nc1C(=O)O Tox21_300876 -NCGC00018097-06 196713837 tox21-ror-cho-viability-p1 set2 4 18.8336317891 -12.706350628 -0.5 -13.206350628 1.826479391 0.8866231969 0.0006163438 -0.59379646 0.22551006 0.29157706 -0.21621785 -0.229933 0.57311979 -1.61045458 0.24102719 0.08857888 -3.34209596 -2.23594973 0.43546878 -3.23167676 -7.53827661 -11.00529219 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 70-70-2 6271 170465896 A Paroxypropione O=C(CC)c1ccc(O)cc1 Tox21_110822_1 -NCGC00094087-05 196713840 tox21-ror-cho-viability-p1 set2 4 -0.25066224 0.53853551 -0.87360899 -3.31369105 0.8950498 1.20345713 1.0415553 -2.45360919 -2.84177135 1.01247535 -3.27246779 0.00864205 -3.40067967 -2.48465084 1.12283221 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50924-49-7 104762 170466027 F Mizoribine NC(=O)c2ncn([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c2O Tox21_111242_1 -NCGC00016855-10 196713850 tox21-ror-cho-viability-p1 set2 -2.2 21.1316824289 -43.9345513819 -0.5 -44.4345513819 2.4063783767 0.9814323027 3.1E-8 -1.25177923 0.47065987 -2.4409342 -2.06768666 -1.7175303 0.42957282 1.3051932 -2.89869313 -2.40695129 0.99243927 0.12837116 0.93883518 -6.13701566 -22.01884997 -38.58678135 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 43210-67-9 3334 170465647 A Fenbendazole O=C(OC)Nc1nc2cc(ccc2n1)Sc3ccccc3 Tox21_110649_1 -NCGC00254413-01 196714246 tox21-ror-cho-viability-p1 set2 4 0.30053735 -0.66065581 3.38783974 4.8051918 -2.09557389 1.69194694 2.84551852 -0.38270073 0.03718439 -0.15005264 -1.03897355 1.75004544 3.27531946 0.60356317 1.48675472 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5915-41-3 22206 144210907 A A Terbutylazine Clc1nc(NCC)nc(NC(C)(C)C)n1 Tox21_300590 -NCGC00254348-01 196714254 tox21-ror-cho-viability-p1 set2 4 1.5355303643 -4.2942500999 0 -4.2942500999 4.9549173134 0.3375385833 0.3498553556 0.01392419 0.75232336 -0.39602492 1.69515154 0.03288694 1.72933653 -0.03943099 -2.48018278 0.21861507 -1.95783358 -9.82854175 3.57953327 -6.87268294 -4.40505967 0.93645687 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527680-56-4 9932000 144210767 A A PHA-00568487 O=C(N[C@H]2CN1CCC2CC1)c3ccc4OCCOc4c3 Tox21_300449 -NCGC00254096-01 196714257 tox21-ror-cho-viability-p1 set2 4 0.32603571 -1.18725021 0.62753981 -1.0663315 3.42937181 0.37639119 2.37135659 3.46931057 -0.36046885 -0.54149474 0.86559272 1.70305475 2.428013 -0.69841716 -1.875035 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 53-03-2 5865 144210516 A A Prednisone OCC(=O)[C@@]3(O)CC[C@H]2[C@@H]4CCC1=CC(=O)C=C[C@]1(C)[C@H]4C(=O)C[C@@]23C Tox21_300196 -NCGC00254825-01 196714259 tox21-ror-cho-viability-p1 set2 4 -0.87736503 -3.50053532 1.27996659 0.36530031 -3.35771794 1.74032463 -2.16752928 2.0472791 -4.3832816 -1.73193086 -2.54393627 -0.55244105 0.00754222 -1.34232093 1.55950786 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141112-29-0 84098 144211240 A Ac Isoxaflutole O=C(c2cnoc2C1CC1)c3ccc(cc3S(C)(=O)=O)C(F)(F)F Tox21_300923 -NCGC00024667-14 196717552 tox21-ror-cho-viability-p1 set2 4 0.2984929481 -7.037084984 6.5 -0.537084984 4.9549173134 0.4274957991 0.2459986534 2.43112216 2.014961 3.50716487 2.44944861 3.94060709 13.00542033 12.39244769 14.62052819 -0.25778691 -1.83326818 -0.20328651 -0.78945216 -2.94757082 1.25760571 2.62183997 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 41372-08-1 38852 170464643 A Methyldopa O.O.O.Oc1ccc(C[C@](C)(N)C(=O)O)cc1O.O=C(O)[C@@](C)(N)Cc1cc(O)c(O)cc1 Tox21_110917_1 -NCGC00259557-01 196721684 tox21-ror-cho-viability-p1 set3 4 30.8872845316 12.627994224 -4.127994224 8.5 4.9549173134 0.7017050219 0.0375954237 -6.68414484 -3.37330383 2.32399603 0.36643014 -5.12925341 -5.6215591 -8.02332852 -5.5083674 -4.61847287 -4.00854514 -6.38128794 -3.11828118 -4.16534211 6.7153085 7.93584123 1.188E-9 2.656E-9 5.9389999999E-9 1.3279999999E-8 2.969E-8 6.64E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.000003712 0.0000083 0.00001856 0.0000415 0.00009279 81335-37-7 54739 144209206 A A Imazaquin CC1(N=C(NC1=O)c2nc3ccccc3cc2C(=O)O)C(C)C Tox21_202008 -NCGC00259233-01 196721687 tox21-ror-cho-viability-p1 set3 4 0.019725022 -6.915444024 3.5 -3.415444024 4.9549173134 0.5995018493 0.0982329039 -1.55638044 3.5268938 6.59335363 5.3933802 -4.9877195 -5.76287002 -5.50934516 -3.85604371 -3.40767838 -1.38000666 -2.67106127 -4.41764985 -3.13126578 0.73829971 -1.57356908 1.1999999999E-9 2.683E-9 5.999E-9 1.3409999999E-8 2.999E-8 6.707E-8 1.5E-7 3.353E-7 7.498E-7 0.000001677 0.000003749 0.000008383 0.00001875 0.00004192 0.00009373 94-52-0 7195 144208882 A A 6-Nitrobenzimidazole [O-][N+](=O)c1cc2ncnc2cc1 Tox21_201684 -NCGC00259246-01 196721695 tox21-ror-cho-viability-p1 set3 4 31.4810148416 12.8291803399 -2.8291803399 10 4.9549173134 0.8315418528 0.0038410766 -5.27431695 -0.10782652 -1.26458061 1.76793317 -2.72390595 -4.14016213 -2.741355 -3.34974406 -3.32146762 -1.56882591 -4.15750628 -4.25893432 -3.57769093 9.21866417 9.60836189 1.2069999999E-9 2.7E-9 6.037E-9 1.3499999999E-8 3.0179999999E-8 6.7489999999E-8 1.509E-7 3.375E-7 7.546E-7 0.000001687 0.000003773 0.000008436 0.00001886 0.00004218 0.000094319999999 110-80-5 8076 144208895 A A 2-Ethoxyethanol CCOCCO Tox21_201697 -NCGC00167468-02 196717151 tox21-ror-cho-viability-p1 set2 4 2.59607585 -2.34648386 0.26062578 -3.79544058 -1.85414795 -0.86978503 -2.13460676 -2.06232847 3.05040514 -0.93165918 4.93539998 0.27363021 0.81604799 2.7438081 3.73750225 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5003-48-5 21102 170466237 A Benorylate O=C(C)Oc2ccccc2C(=O)Oc1ccc(NC(C)=O)cc1 Tox21_112472_1 -NCGC00016624-05 196717547 tox21-ror-cho-viability-p1 set2 4 0.1333319023 5.57432912 -6.07432912 -0.5 1.21 0.5253338464 0.174696715 -4.68473603 -5.42657444 -11.7286076 -3.68080184 -5.40275138 -3.89713737 -5.76671102 -2.96863686 -0.83461924 -2.20657384 1.91969302 -0.43322562 0.42806966 -4.4560052 -4.62192899 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 972-02-1 3055 170465280 A Diphenidol OC(CCCN1CCCCC1)(c2ccccc2)c3ccccc3 Tox21_113073_1 -NCGC00094981-07 196717550 tox21-ror-cho-viability-p1 set2 4 2.1308117 3.57623475 1.32146854 1.80479823 1.14344318 4.0958961 5.83540912 0.96929508 1.37665374 0.04103938 3.08149118 0.18392822 -1.16412338 2.18592497 3.01596057 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 120-51-4 2345 170465382 F Benzyl benzoate O=C(OCc1ccccc1)c2ccccc2 Tox21_111372_1 -NCGC00164501-02 196717559 tox21-ror-cho-viability-p1 set2 4 -0.65668711 -3.43249265 -3.17356693 -1.58931496 0.04592018 -4.46400594 -2.76487093 -0.11965281 0.4406331 -0.87061233 -1.54832894 -0.84328891 0.12677665 0.35921133 -5.64135342 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67-28-7 9561033 170466613 D Nihydrazone O=[N+]([O-])c1ccc(/C=N/NC(C)=O)o1 Tox21_112139_1 -NCGC00093949-05 196717567 tox21-ror-cho-viability-p1 set2 4 26.6032120037 12.7880487679 -3.7880487679 9 0.8999999999 0.4628900322 0.2139704965 -0.79104487 -7.17138982 -1.11405688 -8.80043464 -1.47254757 -8.99004064 -1.93449304 -3.08143601 -2.23424245 -0.10938768 -2.24672882 -1.47576328 -2.24628683 1.25743225 5.84035245 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68-96-2 6238 170466429 F 17alpha-Hydroxyprogesterone CC(=O)[C@@]3(O)CC[C@H]2[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_111233_1 -NCGC00164555-03 196717569 tox21-ror-cho-viability-p1 set2 4 -0.00948864 0.21624832 -5.5404547 -0.11249376 -4.04653469 -1.00591497 1.44867829 -2.1269681 0.34371588 -4.55075426 -1.71735729 -7.15624832 -3.20031614 -0.22479147 3.73577905 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 130929-57-6 5281081 170464850 A Entacapone Oc1cc(\C=C(/C#N)C(=O)N(CC)CC)cc([N+]([O-])=O)c1O Tox21_112184_1 -NCGC00253700-01 196717572 tox21-ror-cho-viability-p1 set2 4 4.3637356 0.93709293 4.39361432 0.03092073 2.21641956 3.51295542 -13.70415597 3.71642997 0.43724565 -0.15379471 0.56636781 -0.41103458 -0.8171754 3.85253898 4.13847974 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 40188-45-2 736331 170466721 A A 3'-Acetyl-4'-hydroxybutyranilide O=C(C)c1cc(ccc1O)NC(=O)CCC Tox21_113821 -NCGC00015202-08 196717977 tox21-ror-cho-viability-p1 set2 4 1.56914558 1.44069778 2.9392845 5.37332793 4.07403161 1.16981252 1.51454935 1.14473231 0.68319137 -0.8463986 -1.59731639 -0.12544074 -0.65841075 2.85393588 -0.75320296 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52214-84-3 2763 170466356 A Ciprofibrate ClC2(Cl)CC2c1ccc(OC(C)(C)C(=O)O)cc1 Tox21_112121_1 -NCGC00257401-01 196718388 tox21-ror-cho-viability-p1 set2 -2.1 60.261267288 -106.5347973752 0.5803607829 -105.9544365923 2.5884283767 0.9849628436 9.1E-9 -1.61235102 0.33967639 1.21719077 2.21980563 2.88582354 3.57260738 -1.41824509 0.95968733 2.44431138 0.75627275 -0.96436541 3.9278796 -10.54103611 -25.289401 -80.26851257 1.166E-9 2.608E-9 5.832E-9 1.304E-8 2.9159999999E-8 6.5199999999E-8 1.458E-7 3.26E-7 7.2889999999E-7 0.0000016299999999 0.000003645 0.00000815 0.00001822 0.00004075 0.00009112 140-72-7 8816 144213748 A A Cetylpyridinium bromide [Br-].CCCCCCCCCCCCCCCC[n+]1ccccc1 Tox21_303438 -NCGC00257764-01 196701584 tox21-ror-cho-viability-p1 set1 4 4.13083108 -1.08342939 1.5993922 3.27104244 0.65559377 1.02096637 8.69766 -0.17574009 2.83018604 2.88249056 4.22592367 2.75390238 13.10609461 0.32309538 -0.65524212 1.152E-9 2.576E-9 5.76E-9 1.288E-8 2.8799999999E-8 6.44E-8 1.44E-7 3.22E-7 7.2E-7 0.00000161 0.0000036 0.0000080489999999 0.000018 0.000040249999999 0.000089999999999 110-67-8 61032 144207408 A A 3-Methoxypropionitrile N#CCCOC Tox21_200210 -NCGC00247717-01 196704884 tox21-ror-cho-viability-p1 set1 4 -1.59718864 -2.28166591 -1.79921319 -2.27328178 0.17449417 -1.3531161 -2.97267065 -1.45007088 1.41377716 -0.61138001 1.4291385 -1.24097039 0.99977769 -2.896469 1.24405618 1.3249999999E-9 2.964E-9 6.6269999999E-9 1.482E-8 3.314E-8 7.409E-8 1.6569999999E-7 3.705E-7 8.284E-7 0.000001852 0.000004142 0.000009262 0.00002071 0.00004631 0.0001035 2426-63-3 24802109 144206433 A A 5-Methoxy-N,N-diisopropyltryptamine hydrochloride Cl.CC(C)N(CCc2cnc1ccc(cc12)OC)C(C)C Tox21_112880 -NCGC00161399-03 196704886 tox21-ror-cho-viability-p1 set1 4 10.5909294584 -13.630119896 0.5 -13.130119896 4.4494702849 0.7532242826 0.0186332923 -1.68002866 8.84896478 -1.85773215 0.33818599 0.82373139 2.39509971 -0.68513698 -0.80655123 -2.00112294 1.5396735 -2.1987515 1.02883622 -4.13667519 -12.21703769 -13.44176658 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 143482-60-4 56846451 170466338 D Pinokalant hydrochloride Cl.COc5ccc(CCN(CCc1ccc(OC)c(OC)c1OC)C(=O)C(C2=NCCc3cc(OC)c(OC)cc23)c4ccccc4)c(OC)c5OC Tox21_111993_1 -NCGC00164621-02 196704887 tox21-ror-cho-viability-p1 set1 4 2.49054417 1.06200883 1.34932218 -0.53285055 0.34974747 1.17656348 -0.4131606 1.53939848 2.34573694 2.27772788 2.14563886 -1.45574674 0.18756503 1.86519476 0.84301145 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 125-60-0 71489 170466136 F Fenpiverinium bromide [Br-].NC(=O)C(CC[N+]1(C)CCCCC1)(c2ccccc2)c3ccccc3 Tox21_112240_1 -NCGC00255813-01 196701182 tox21-ror-cho-viability-p1 set1 4 6.8589621897 -13.5286294119 1.5 -12.0286294119 3.2474983358 0.8877904595 0.0005734353 0.01485602 4.80851272 0.4254402 -0.73132047 0.72722858 0.08094929 -0.35725293 5.0383973 -0.06788158 5.1883122 -0.45468915 -7.54507939 -10.54155101 -12.15995175 -12.94052451 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15676-16-1 5355 144212522 F A (RS)-(+/-)-sulpiride CCN2CCCC2CNC(=O)c1cc(ccc1OC)S(N)(=O)=O Tox21_302205 -NCGC00163919-02 196701185 tox21-ror-cho-viability-p1 set1 4 -1.12573859 -0.44221347 -2.92098184 -4.63711476 -2.29735265 0.79211135 -4.12761386 -0.58319949 -2.11902659 -1.48163223 0.24741613 1.01217635 -2.24693192 -3.78889975 -0.01975002 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00255691-01 196701188 tox21-ror-cho-viability-p1 set1 4 12.6325647659 17.0338616 -5.5338616 11.5 0.3 0.6419753169 0.0695252682 -4.51131061 -4.53333467 -5.028218 -2.57200892 -4.7568406 -1.17262183 -1.00836482 -4.20862052 5.40112128 0.3047464 -0.52922305 0.94763718 5.35607295 0.2497899 8.70733864 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 5146-66-7 21768 144212430 I Fns 3,7-Dimethyl-2,6-octadienenitrile C\C(C)=C\CCC(C)=CC#N Tox21_302113 -NCGC00258357-01 196701605 tox21-ror-cho-viability-p1 set1 4 1.11167849 -0.64770583 1.79570065 1.11093 4.36312726 0.00390221 0.54526575 5.55257149 2.63625691 2.0692278 4.70350182 3.05152626 7.78408016 -0.98281223 2.51772867 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.945E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.000003681 0.00000823 0.000018399999999 0.00004115 0.000092019999999 2818-69-1 76063 144208001 A A 5-Chloro-2-methyl-1H-benzimidazole Clc1ccc2nc(C)nc2c1 Tox21_200803 -NCGC00257784-01 196701606 tox21-ror-cho-viability-p1 set1 4 9.79141291 2.67942102 1.00578854 6.67985855 2.45198846 5.44789652 -2.77891642 4.60876593 9.92946739 2.17785622 5.31638115 0.20683303 6.08158441 0.92526298 3.53310226 1.224E-9 2.7369999999E-9 6.1199999999E-9 1.3679999999E-8 3.0599999999E-8 6.8419999999E-8 1.5299999999E-7 3.421E-7 7.649E-7 0.00000171 0.000003825 0.0000085519999999 0.00001912 0.00004276 0.00009562 1453-82-3 15074 144207428 A A Isonicotinamide NC(=O)c1ccncc1 Tox21_200230 -NCGC00258673-01 196701607 tox21-ror-cho-viability-p1 set1 4 2.48220762 0.21690477 -2.45538362 2.65020277 0.68240292 2.29947116 1.66361751 1.78070533 -2.54467275 -0.3910284 0.1341567 0.76982565 -0.27010546 0.45382808 0.30302867 1.1989999999E-9 2.6809999999E-9 5.995E-9 1.3409999999E-8 2.998E-8 6.703E-8 1.4989999999E-7 3.351E-7 7.494E-7 0.000001676 0.000003747 0.000008378 0.00001873 0.00004189 0.00009367 4097-22-7 20039 144208319 A A 2',3'-Dideoxyadenosine Nc3ncnc2c3ncn2[C@H]1CC[C@@H](CO)O1 Tox21_201121 -NCGC00257921-01 196701999 tox21-ror-cho-viability-p1 set1 4 0.0210079674 -5.8396263679 -2 -7.8396263679 4.9549173134 0.4063715613 0.2840327961 -1.67113087 -8.54743018 -1.29256657 2.61378769 -8.85134 -3.9915414 -13.19968864 -7.43790274 -5.57123518 -8.54862881 -8.05053658 -6.1803868 -9.96560418 -8.51278738 -3.3849951 1.149E-9 2.569E-9 5.744E-9 1.284E-8 2.872E-8 6.422E-8 1.436E-7 3.211E-7 7.1799999999E-7 0.000001606 0.0000035899999999 0.000008028 0.00001795 0.00004014 0.00008976 80-62-6 6658 144207565 FNS Methyl methacrylate C=C(C)C(=O)OC Tox21_200367 -NCGC00258520-01 196701998 tox21-ror-cho-viability-p1 set1 4 0.0228641832 -18.623848576 7 -11.623848576 0.5999999999 0.7946276909 0.0089183839 4.88738558 0.81200775 3.15411877 0.4018767 -8.982199 0.01165379 -10.20856859 -7.15601741 -8.50271758 -12.75253478 -9.05717314 -9.2876604 -10.86747016 -9.72357569 -14.68654048 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 36791-04-5 37542 144208165 A A Ribavirin NC(=O)c1ncn(n1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O Tox21_200967 -NCGC00091205-03 196702010 tox21-ror-cho-viability-p1 set1 4 -2.14319677 -3.44739829 -1.98962213 -3.59558043 -6.84391566 -4.36376896 -12.4701117 -10.91721176 3.60694057 -11.90251763 -4.40577263 -8.85900713 -10.85744647 -10.98456563 -9.9883979 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00256795-01 196719296 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -19.710406432 2 -17.710406432 4.9549173134 0.7062595713 0.0357082009 1.39743356 1.78385851 0.38620637 2.80948803 3.18833715 8.44624481 1.10464623 5.122471 -0.30523872 -0.73164927 3.19722795 0.30788334 0.83032045 1.08418582 -11.84200536 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6290-17-1 95392 144212774 A A Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate O=C(OCC)CC1(C)OCC(C)O1 Tox21_302457 -NCGC00257430-01 196719307 tox21-ror-cho-viability-p1 set2 4 2.7306020303 -13.678936976 0.5 -13.178936976 4.9549173134 0.9471763141 0.0000114321 0.24120741 1.61088715 0.37304776 0.83521281 0.89058437 3.23228985 -1.13183555 0.70813078 -1.86503429 -0.15126496 -10.41563495 -12.83097696 -15.98244748 -13.20236095 -10.57483849 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66-81-9 6197 144213954 A A Cycloheximide O=C2CC(C[C@@H](O)[C@@H]1C[C@@H](C)C[C@H](C)C1=O)CC(=O)N2 Tox21_303652 -NCGC00263547-01 196716810 tox21-ror-cho-viability-p1 set2 4 0.59372737 2.25010199 0.60138931 2.04768765 2.33655013 1.620335 6.39237794 5.44962881 -0.60635188 2.66367612 -0.91065094 -0.37669651 2.417251 -0.16907675 0.3627978 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 121288-39-9 60737 170466599 B Loxoribine NC3=NC2=C(N(CC=C)C(=O)N2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(=O)N3 Tox21_112592_1 -NCGC00257757-01 196716394 tox21-ror-cho-viability-p1 set2 4 -1.18294225 3.86385844 0.9951933 1.12729172 1.37294314 5.49371036 0.5494204 0.30868616 0.72036138 -0.82923626 0.56787692 4.23921194 -0.08654469 -0.30242125 3.97924467 1.16E-9 2.5929999999E-9 5.798E-9 1.2959999999E-8 2.8989999999E-8 6.482E-8 1.45E-7 3.241E-7 7.2479999999E-7 0.000001621 0.000003624 0.000008103 0.00001812 0.00004052 0.00009059 534-22-5 10797 144207401 A 2-Methylfuran Cc1ccco1 Tox21_200203 -NCGC00024809-07 196716797 tox21-ror-cho-viability-p1 set2 4 3.29831782 0.06514628 3.87540118 3.35597194 6.06747644 5.45869284 7.61896268 6.052085 1.26145809 -3.12472099 -0.90681957 1.15015141 2.00957444 4.65921985 7.86594253 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54-80-8 4930 170466606 A Pronethalol CC(C)NCC(O)c1ccc2ccccc2c1 Tox21_110927_1 -NCGC00263542-01 196716803 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -17.1594291439 0.5 -16.6594291439 4.9549173134 0.847477773 0.0024710317 2.1202392 0.82572148 -0.95288171 -1.52656591 1.75193194 0.12840179 -1.18891779 0.17171752 1.49894763 -1.37609608 3.13953685 3.52479363 0.56150573 0.10747086 -13.88285762 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 120210-48-2 54704052 170466575 F Tenidap O=C(c1c(O)n(C(N)=O)c2ccc(Cl)cc12)c3cccs3 Tox21_111757_1 -NCGC00018139-05 196717212 tox21-ror-cho-viability-p1 set2 4 23.7101376556 -10.4791195079 -0.5 -10.9791195079 1.9673362061 0.5210954971 0.1619028603 2.27282365 0.87448379 -3.51263466 -3.0590994 1.79091923 -5.06219953 1.91976783 -0.41665549 0.44375722 -1.22636602 3.0856008 -2.4019446 -1.56235013 -5.25412641 -8.73259959 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35212-22-7 3747 170465997 A Ipriflavone CC(C)Oc1ccc2c(c1)OC=C(C2=O)c3ccccc3 Tox21_113172_1 -NCGC00164637-02 196717225 tox21-ror-cho-viability-p1 set2 4 -3.54437902 -3.71707008 -4.28390013 -1.08499394 4.47622835 -2.92864823 0.23582788 -0.03235111 -1.30125428 -2.80848877 -0.55514636 -1.94166212 0.708404 -0.19315235 3.15453104 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 130636-43-0 122188 170465960 A Nifekalant Cl.CN1C(=CC(=O)N(C)C1=O)NCCN(CCCc2ccc(cc2)[N+]([O-])=O)CCO Tox21_112254_1 -NCGC00160398-05 196717631 tox21-ror-cho-viability-p1 set2 4 -4.11668175 -1.85599986 -5.25015145 0.54970404 2.69929796 -9.37939457 2.38736394 -0.51676168 -1.53606842 2.744313 -6.12704985 -0.47980439 -5.34813404 1.28825667 -1.7828584 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82956-11-4 9868041 170465855 A Nafamostat mesilate CS(=O)(=O)O.N=C(N)Nc1ccc(cc1)C(=O)Oc2ccc3cc(ccc3c2)C(=N)N Tox21_111787_1 -NCGC00159451-06 196717633 tox21-ror-cho-viability-p1 set2 4 0.55289225 2.60333595 6.32896436 3.53632556 5.80189206 7.00044126 6.95211424 7.66880079 1.95769055 2.95820028 6.10137239 1.93554238 1.4183132 -0.74109186 -0.65289384 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 24237-54-5 5480 170465864 C Tinoridine O=C(OCC)c1c2CCN(Cc2sc1N)Cc3ccccc3 Tox21_111678_1 -NCGC00094852-03 196718066 tox21-ror-cho-viability-p1 set2 4 -6.03819977 -2.06400209 -4.70233447 -5.49040746 -5.49150029 -2.27549648 -3.86340956 -0.87686903 -4.60243029 -5.07798516 -1.45562802 -0.78284946 -3.9706996 -0.44814172 2.49957216 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-48-9 5819 170465450 A Levothyroxine O=C(O)[C@@H](N)Cc2cc(I)c(Oc1cc(I)c(O)c(I)c1)c(I)c2 Tox21_112101_1 -NCGC00256600-01 196718462 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -11.8341374799 -1 -12.8341374799 1.331 0.607401073 0.0940791915 -3.99056354 -3.27629319 -0.66993656 2.11818653 -1.70799549 -3.436558 -1.47664519 -0.39685123 1.12703827 -0.27986138 -2.50960292 -1.52305093 -2.31360191 -4.64056277 -9.0284479 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 536-33-4 2761171 144213086 A A Ethionamide CCc1cc(ccn1)C(N)=S Tox21_302769 -NCGC00256408-01 196718475 tox21-ror-cho-viability-p1 set2 4 2.0133434001 12.386735308 -14.74996004 -2.363224732 4.9549173134 0.6410764434 0.0694995377 -12.63253619 -3.00415482 -21.8749667 -14.70122634 -20.37609245 -18.14569079 -13.29431662 -13.72315026 -12.60324421 -13.05667105 -1.13602061 -2.15574454 -4.34650705 -2.70646881 -3.00133699 1.109E-9 2.4799999999E-9 5.5449999999E-9 1.2399999999E-8 2.772E-8 6.199E-8 1.3859999999E-7 3.1E-7 6.931E-7 0.00000155 0.000003466 0.000007749 0.00001733 0.00003875 0.00008664 83-88-5 493570 144213297 A C Riboflavin OC[C@@H](O)[C@@H](O)[C@@H](O)CN2C3=NC(=O)NC(=O)C3=Nc1cc(C)c(C)cc12 Tox21_302980 -NCGC00090965-04 196715918 tox21-ror-cho-viability-p1 set2 4 0.30489945 -0.2442971 0.08007288 3.01185545 0.42057321 0.54066904 0.78995564 1.80683634 1.33275185 -0.05115329 0.09345568 1.12023487 0.55663706 0.29207818 -3.77465628 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00254469-01 196715096 tox21-ror-cho-viability-p1 set2 4 -2.45883003 0.03903487 0.08914459 0.41023639 -1.44705252 -0.35163167 1.35217785 2.12510651 -3.90775804 -4.41104888 0.15762655 -3.10425823 4.65326933 0.01459087 0.69771441 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 75-99-0 6418 144210682 A A Dalapon CC(Cl)(Cl)C(=O)O Tox21_300364 -NCGC00257839-01 196715495 tox21-ror-cho-viability-p1 set2 4 -0.54126101 -0.58812694 -4.27358536 -5.40551457 -1.5841099 0.09637049 -0.78392748 -2.2264791 -1.79403888 -5.87387228 -0.26299761 -0.5367249 0.67859225 3.65418268 -0.31193485 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004129 0.000092319999999 100-27-6 7494 144207483 A A 2-(4-Nitrophenyl)ethanol O=[N+]([O-])c1ccc(CCO)cc1 Tox21_200285 -NCGC00258613-01 196715511 tox21-ror-cho-viability-p1 set2 4 0.77704305 1.471224 2.21148009 1.08771978 0.70282898 1.25237718 0.80116095 -3.69628708 -0.1290747 2.18735271 1.83651586 3.80623714 0.82852002 1.17642874 1.3716098 1.194E-9 2.67E-9 5.9699999999E-9 1.335E-8 2.985E-8 6.6739999999E-8 1.4919999999E-7 3.337E-7 7.4619999999E-7 0.000001669 0.0000037309999999 0.000008343 0.00001866 0.00004171 0.00009328 624-83-9 12228 144208258 FC Methyl isocyanate C\N=C=O Tox21_201060 -NCGC00258399-01 196716346 tox21-ror-cho-viability-p1 set2 4 0.29699077 -0.05277035 5.26422599 2.05850818 0.09839448 -0.85786301 0.01989538 3.80923475 4.66740748 3.44937824 2.27871707 2.28101401 3.86901292 0.43046888 4.51492231 1.19E-9 2.661E-9 5.951E-9 1.331E-8 2.975E-8 6.653E-8 1.4879999999E-7 3.326E-7 7.438E-7 0.000001663 0.000003719 0.000008316 0.0000186 0.00004158 0.00009298 115-70-8 8282 144208043 A A 2-Amino-2-ethyl-1,3-propanediol CCC(N)(CO)CO Tox21_200845 -NCGC00258646-01 196716347 tox21-ror-cho-viability-p1 set2 4 4.84541892 3.41900175 0.95681992 1.17366844 -1.52775359 1.20048216 2.29245745 0.6311786 3.71920115 -0.05224109 0.56378824 2.71132585 0.19685841 -0.66293795 1.40155127 1.1529999999E-9 2.579E-9 5.766E-9 1.289E-8 2.883E-8 6.447E-8 1.4419999999E-7 3.2229999999E-7 7.2079999999E-7 0.000001612 0.000003604 0.0000080589999999 0.00001802 0.000040289999999 0.0000901 121-90-4 8495 144208292 A F 3-Nitrobenzoyl chloride O=[N+]([O-])c1cc(ccc1)C(Cl)=O Tox21_201094 -NCGC00091009-05 196716744 tox21-ror-cho-viability-p1 set2 4 54.9067494525 -17.152872912 3 -14.152872912 4.0949729863 0.6445620385 0.0677464825 0.31003618 1.92069215 2.22288418 1.21056167 8.05478361 4.48389603 6.65510971 8.64344019 1.74579584 1.81602122 0.92443214 -1.28900999 1.46962362 0.3725184 -11.79406076 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00164634-02 196716754 tox21-ror-cho-viability-p1 set2 4 0.1333319023 6.438932132 -4.938932132 1.5 3.0654483358 0.6184405712 0.0848585921 -8.35551431 -3.95336388 0.89279223 -8.69911011 -4.16677506 -5.4892534 -4.00979343 -1.07803466 1.73569427 0.02364712 0.39654549 5.01863807 3.40016086 -0.54144695 0.34406352 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80573-04-2 6335412 170465305 A Balsalazide disodium OC(=O)c1cc(ccc1O)/N=N/c2ccc(cc2)C(=O)NCCC(=O)O Tox21_112252_1 -NCGC00187584-01 196716755 tox21-ror-cho-viability-p1 set2 4 0.14130678 -0.43918797 -0.65256774 -1.34766195 1.14411323 1.19978698 0.77525476 1.34745038 -2.22322943 -1.85039139 0.3799504 -0.50400899 -0.99833498 -1.9598808 -2.19893545 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1934-21-0 5359657 144206961 F I FD&C Yellow 5 [Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)/N=N/C3=C(NN(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O Tox21_113411 -NCGC00015009-16 196716759 tox21-ror-cho-viability-p1 set2 4 0.70855748 0.84749717 2.31045074 2.5588071 6.61125506 3.668145 7.41101856 6.43875691 4.46508576 3.83448352 3.07138467 3.69144861 1.57289581 0.09046214 0.11542909 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 504-24-5 1727 170466526 Z 4-Aminopyridine Nc1ccncc1 Tox21_110065_1 -NCGC00023902-09 196716764 tox21-ror-cho-viability-p1 set2 4 0.84267146 -3.74442893 0.95088511 -1.15115707 -1.60516147 -2.70564024 -1.98643391 -1.28464208 -6.40264571 -6.43388122 -0.82083849 0.27286795 -0.18942537 -1.58016323 -2.90272322 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63-05-8 6128 170465907 A 4-Androstene-3,17-dione O=C2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_110893_1 -NCGC00025200-02 196716765 tox21-ror-cho-viability-p1 set2 4 -1.02816316 -2.80958365 0.60976857 -2.21041201 -0.40471009 -0.70209778 -4.40598731 -2.36093154 -0.36021026 0.36076956 -3.53757481 -5.37350904 -1.5458613 -4.15938058 -4.04448419 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 39731-05-0 193949 170466622 A SDZ 21009 CC(C)(C)NCC(O)COc2cccc1nc(cc12)C(=O)OC(C)C Tox21_113583_1 -NCGC00163735-04 196715541 tox21-ror-cho-viability-p1 set2 4 20.4967766026 -8.7309704799 -0.5 -9.2309704799 4.9549173134 0.8443039282 0.0027366127 0.33729385 0.09144183 0.57868141 2.93674773 -0.72934719 -0.85008305 -1.23820234 -0.72765229 -0.37331081 -3.09363918 -0.54522284 -1.35873463 -3.92531625 -10.1924754 -8.04981142 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00160669-02 196697446 tox21-ror-cho-viability-p1 set1 4 1.75179219 4.15017646 0.24445107 -0.3689559 0.93971512 2.41707523 0.97993394 -0.15191889 0.77102209 -5.29867943 2.00359675 1.8570358 6.60235018 1.61158883 0.74198126 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10001-13-5 667497 170466336 A Pexantel O=C(N1CCN(C)CC1)C2CCCCC2 Tox21_111973_1 -NCGC00159389-04 196697428 tox21-ror-cho-viability-p1 set1 4 -3.6731479 -2.95761339 -2.38340031 -0.6462003 -3.34710077 -2.84359644 -4.59620925 -0.38989401 -3.21590844 0.85364023 -2.13888392 0.34946711 -0.26094885 4.4542024 0.51712685 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104-06-3 9568512 170466436 A Amithiozone O=C(C)Nc1ccc(cc1)\C=N\NC(N)=S Tox21_111625_1 -NCGC00015264-13 196697430 tox21-ror-cho-viability-p1 set1 4 -2.48846832 -1.73996677 -1.97816391 -2.07447387 0.33244307 -1.04568287 -1.94433947 0.69647455 0.22667145 1.03521804 -1.75988407 -7.13723707 -0.38460472 0.80821215 -3.73132996 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 303-49-1 2801 170464702 A Clomipramine hydrochloride CN(C)CCCN2c3ccccc3CCc1ccc(Cl)cc12 Tox21_110117_1 -NCGC00016338-10 196697441 tox21-ror-cho-viability-p1 set1 4 -2.76168368 -1.38056588 -4.45515353 -3.50805461 1.36384817 1.67397046 1.64210199 -4.73361199 -1.69616364 -1.22763855 -1.76871914 -2.79658807 -0.43968887 -0.74308263 -2.84160993 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 85-79-0 3025 170464829 A Dibucaine CCN(CC)CCNC(=O)c1cc(OCCCC)nc2ccccc12 Tox21_110381_1 -NCGC00182965-05 196697480 tox21-ror-cho-viability-p1 set1 4 3.25088905 -0.65676613 1.48175214 0.05982878 -3.99358716 3.34497293 -1.99479028 6.65937351 -1.44235219 2.00377988 2.01000942 0.1827891 -2.19352406 1.3613139 4.51084634 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1235-82-1 92151 170465324 A Biperiden Cl.OC(CCN1CCCCC1)(c2ccccc2)C4CC3C=CC4C3 Tox21_112785_1 -NCGC00166258-02 196697485 tox21-ror-cho-viability-p1 set1 4 2.33011809 -5.46024787 -0.85436184 -3.00273917 0.1664276 -1.40473739 -3.35508045 -0.52325207 -4.63308673 -3.75015851 -3.59092503 -2.40001262 -5.4396947 0.04794298 2.69590835 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21245-01-2 88836 170466104 A Padimate CN(C)c1ccc(cc1)C(=O)OCCC(C)C Tox21_112377_1 -NCGC00094736-05 196726324 tox21-ror-cho-viability-p1 set3 4 -7.79286056 -7.77613992 0 -11.19679476 -6.05597523 -5.73918621 -6.55744209 -6.52401554 -6.6608668 -5.71614208 -8.33201592 -5.25616232 -6.94003681 -8.1867903 -8.99144907 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 121-81-3 4511 170466818 A Nitromide O=[N+]([O-])c1cc(cc(c1)[N+]([O-])=O)C(N)=O Tox21_111321_1 -NCGC00091288-05 196726314 tox21-ror-cho-viability-p1 set3 4 0.0103183375 -5.70778198 4.5 -1.20778198 3.9899729863 0.54823116 0.1384617328 4.50715915 -0.31842941 8.43929574 4.33742395 3.3603813 -0.51578021 -0.0279872 -1.13952037 3.49597822 -3.92315165 -3.68563949 -2.57949942 -1.25937669 -2.92502153 -0.5781635 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 83-88-5 493570 170465063 A Riboflavin OC[C@@H](O)[C@@H](O)[C@@H](O)CN2C3=NC(=O)NC(=O)C3=Nc1cc(C)c(C)cc12 Tox21_111714_1 -NCGC00253572-01 196726315 tox21-ror-cho-viability-p1 set3 4 5.89959903 5.05542464 0.81903684 5.89907274 5.18891061 5.19447125 11.73663744 14.26275128 14.66849006 7.54123156 8.13335791 0.74546792 5.12266116 5.6962619 9.17696915 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15687-14-6 27453 170465662 A A Embutramide COc1cc(ccc1)C(CC)(CC)CNC(=O)CCCO Tox21_113716 -NCGC00091146-04 196726320 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -20.269587128 -1.5 -21.769587128 0.9999999999 0.6720443072 0.0521527291 0.35363502 -3.85686961 1.3500148 -1.01290213 0.89062132 0.35021702 -0.52431096 -5.31012774 -5.74563293 -4.80028091 -2.90082062 -1.63076201 -4.59671266 -6.15113068 -16.47465594 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00249110-03 196726325 tox21-ror-cho-viability-p1 set3 4 0.0334914596 -6.02578076 2.5 -3.52578076 2.3331733767 0.6225712224 0.09544518 2.86554353 -0.27320936 7.34835964 -0.26045699 3.02093208 -0.9498364 -2.68753853 -1.60738552 -6.08678058 -7.1048173 -1.94400764 -2.64119409 -3.83600557 -2.05184732 0.27038061 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56038-13-2 71485 170466823 A A Sucralose O[C@H]1[C@H](O[C@H](CO)[C@H](Cl)[C@@H]1O)O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O Tox21_113658 -NCGC00256392-01 196726728 tox21-ror-cho-viability-p1 set3 4 -2.56174177 -2.69763013 0.28794296 0.57428957 -0.05251591 -0.45558476 -2.7012903 -17.34996234 -12.4399152 -9.32198308 0 -1.63759153 0.73050666 -1.18445283 -8.26018133 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-62-2 638024 144213063 A A Piperine O=C(/C=C/C=C/c1ccc2OCOc2c1)N3CCCCC3 Tox21_302746 -NCGC00256355-01 196726730 tox21-ror-cho-viability-p1 set3 4 -10.74519569 -21.89039184 -26.46740081 -0.07794351 -26.29626953 -4.25746467 -1.17448988 -0.75643643 -0.08200234 -7.27478794 -3.08077154 -21.94608182 -20.21684918 -11.83970513 0.19151942 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 461-58-5 10005 144213047 A Cyanoguanidine N=C(N)NC#N Tox21_302730 -NCGC00260433-01 196704101 tox21-ror-cho-viability-p1 set1 4 49.6461255578 -22.849456152 -1.5 -24.349456152 3.0654483358 0.6681085163 0.0539063932 -6.51271167 -10.9287103 -0.23849819 2.81993892 -0.17005513 0.25358816 -0.4561655 0.932891 0.53266937 -7.62113536 1.63406947 0.72868461 0.05109872 -10.42912531 -21.54121346 1.202E-9 2.687E-9 6.008E-9 1.344E-8 3.0039999999E-8 6.718E-8 1.5019999999E-7 3.359E-7 7.51E-7 0.000001679 0.0000037549999999 0.000008397 0.00001878 0.000041979999999 0.000093879999999 96-91-3 4921319 144210085 A A 2-Amino-4,6-dinitrophenol Nc1cc(cc([N+]([O-])=O)c1O)[N+]([O-])=O Tox21_202887 -NCGC00260364-01 196703682 tox21-ror-cho-viability-p1 set1 4 0.00783697 -10.0801224039 3 -7.0801224039 0.4 0.3381779143 0.3331746807 1.25900334 -0.96248944 -5.28179184 -2.65616288 0.90120674 -6.91131619 -0.7492525 -6.11085304 -10.06676867 -9.55395086 -1.68943106 -4.62916149 -2.70607992 -9.70970439 -8.2418356 1.198E-9 2.6779999999E-9 5.988E-9 1.339E-8 2.994E-8 6.6949999999E-8 1.497E-7 3.347E-7 7.485E-7 0.0000016739999999 0.000003742 0.000008368 0.00001871 0.00004184 0.000093559999999 27072-45-3 18730 144210016 F F Fluorescein 5(6)-isothiocyanate Oc4cc5Oc1cc(O)ccc1C3(OC(=O)c2cc(\N=C=S)ccc23)c5cc4 Tox21_202818 -NCGC00357185-01 196704103 tox21-ror-cho-viability-p1 set1 4 6.0932677 0.18224874 2.11627166 4.00364547 -0.7370704 -0.80246549 2.98630794 4.18910046 0.15526646 -0.0389675 8.08468923 6.98689246 2.28711682 0.96940518 1.41011626 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 626-39-1 12279 251919928 Ac 1,3,5-Tribromobenzene Brc1cc(Br)cc(Br)c1 Tox21_303951 -NCGC00168748-02 196704495 tox21-ror-cho-viability-p1 set1 4 23.7101376556 -14.412844628 1.5 -12.912844628 3.5117481694 0.7417918596 0.0222998663 1.31706078 0.21270134 4.03669127 2.18694469 0.71080648 0.59269998 -4.88088313 1.42185808 1.79181505 3.98016198 1.04317644 3.36707991 0.94268701 -4.32746906 -11.59403719 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 99755-59-6 59227 170465204 A Rotigotine Oc2cccc1C[C@H](CCc12)N(CCC)CCc3cccs3 Tox21_112627_1 -NCGC00163919-02 196704512 tox21-ror-cho-viability-p1 set1 4 -1.20806861 -4.01788582 4.71207111 -0.25564308 -0.81653043 -4.76716889 0.31494571 0.41368031 -0.19978896 -3.54114624 -4.85285462 2.95290386 -1.70900385 -3.85135179 -1.43507542 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00254426-01 196699530 tox21-ror-cho-viability-p1 set1 4 61.130564862 9.927296676 0.072703324 10 4.4494702849 0.8149184548 0.0059904597 -0.55730502 0.84872932 0.92646936 0.16287791 -0.77240951 -0.40640361 0.46700093 -1.49001138 -2.02274723 1.23020569 -0.25307194 1.83679258 -1.3172286 1.73803454 8.58405233 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47265 9869142 144210750 A A CP-471358 O=S(=O)(N(CCC(=O)O)C1(CCCC1)C(=O)NO)c3ccc(Oc2ccc(F)cc2)cc3 Tox21_300432 -NCGC00254462-01 196699128 tox21-ror-cho-viability-p1 set1 4 -4.74282744 -3.72846698 -6.12039836 -9.05908461 -3.99464662 -4.67051628 -4.17518511 -7.71921903 0.21455859 -4.64799669 -8.20983307 0.03404188 0.3153191 -1.08757556 -4.48287521 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-47-8 8434 144210653 A A Ethylparaben Oc1ccc(cc1)C(=O)OCC Tox21_300335 -NCGC00254520-01 196699529 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -62.3348685023 -1.357076613 -63.6919451153 4.5044702849 0.9525888229 0.0000062861 -0.52547719 -1.91511351 -3.30910418 -4.21499863 -0.01556277 -0.32965023 0.04768037 3.02160334 0.37695989 -0.33846185 -4.14572677 0.47560888 -9.18342091 -6.46409851 -50.54916279 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84852-15-3 338733 144210893 A A 4-Nonylphenol, branched Oc1ccc(CCCCCCC(C)C)cc1 Tox21_300576 -NCGC00254079-01 196699528 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -25.092014496 1 -24.092014496 4.9549173134 0.8980281196 0.0003587408 0.59876641 0.75406825 1.46618902 -1.85553746 -0.58941714 -0.2918603 4.12683325 1.0425691 3.15381167 2.15155855 1.69077016 1.67117336 -0.72193799 2.10163695 -18.41001208 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 83-32-9 6734 144210333 A A Acenaphthene c1cc2cccc3CCc(c1)c23 Tox21_300013 -NCGC00254169-01 196699540 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -17.341647564 -1.5 -18.841647564 4.9549173134 0.6195088011 0.083888631 1.72450415 -0.76828517 0.70562585 -5.63981761 0.15369656 -3.26038009 0.25183054 -2.73167492 -0.19578424 -5.3466243 0.32806249 -8.2000743 0.16259407 -3.07258567 -15.70137297 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 8018-01-7 3034368 144210633 F Mancozeb [Mn+2].[Zn+2].[S-]C(=S)NCCNC(=S)[S-].[S-]C(=S)NCCNC([S-])=S Tox21_300314 -NCGC00254276-01 196699551 tox21-ror-cho-viability-p1 set1 4 -0.57942664 -0.6315694 0.99125926 1.00198867 3.22727783 -0.80625664 -0.22119105 2.22341556 1.41978629 2.43417112 2.06382249 -1.39041233 4.51165148 -0.84300296 1.14051741 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 30516-87-1 35370 144210895 A A 3'-Azido-3'-deoxythymidine CC1=CN(C(=O)NC1=O)[C@H]2C[C@H](\N=[N+]=[N-])[C@@H](CO)O2 Tox21_300578 -NCGC00258218-01 196716415 tox21-ror-cho-viability-p1 set2 4 2.00766005 -0.59635682 -2.84174545 0.05004144 1.82928418 2.64071362 0.73002162 2.64061765 2.48154581 1.62007475 -0.43801969 1.7859163 0.45649305 -4.20809808 -3.38965692 1.167E-9 2.61E-9 5.836E-9 1.305E-8 2.918E-8 6.525E-8 1.459E-7 3.2629999999E-7 7.295E-7 0.000001631 0.000003648 0.000008157 0.000018239999999 0.00004078 0.00009119 2495-25-2 17234 144207862 D Tridecyl methacrylate C=C(C)C(=O)OCCCCCCCCCCCCC Tox21_200664 -NCGC00257688-01 196716006 tox21-ror-cho-viability-p1 set2 4 68.7989315376 -10.534531148 1.5 -9.034531148 4.9549173134 0.5068654125 0.1750488773 4.53540563 3.74670306 -0.4868488 1.89136563 -1.69815 5.918902 -0.43732061 1.65085995 0.34601935 1.00357749 -0.8939162 -0.58054176 1.3696769 0.83511278 -7.11210929 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004133 0.000092409999999 156-51-4 61100 144207332 FNS Phenylethylhydrazine sulfate O=S(=O)(O)O.NNCCc1ccccc1 Tox21_200134 -NCGC00091902-08 196716009 tox21-ror-cho-viability-p1 set2 4 54.4826732819 -18.318877148 0.5 -17.818877148 3.1319983358 0.8881946105 0.0005682354 1.01605014 -0.11572867 1.63914575 -0.53434588 2.16309859 2.3463058 -0.4073201 3.90962099 -0.85920465 -0.75729173 -1.41385914 -0.2839394 0.83896082 -4.91296993 -14.84906429 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00257793-01 196716012 tox21-ror-cho-viability-p1 set2 4 -1.38272562 4.67279737 -1.41944138 -0.92455633 -0.87938402 -0.38903621 -0.38075693 -0.16546726 -0.67554178 -1.40870576 -0.17958516 -0.80432341 -0.62115915 0.46751915 -0.62415466 1.135E-9 2.539E-9 5.6769999999E-9 1.27E-8 2.8389999999E-8 6.348E-8 1.419E-7 3.174E-7 7.097E-7 0.0000015869999999 0.0000035479999999 0.000007934 0.000017739999999 0.00003967 0.00008871 8065-48-3 24723 144207437 Z Z Demeton CCOP(=O)(OCC)SCCSCC Tox21_200239 -NCGC00159415-04 196716819 tox21-ror-cho-viability-p1 set2 4 0.0021131682 16.12347924 -13.62347924 2.5 0.2 0.4358646479 0.2395665866 -9.66936269 -5.18412093 -5.32281334 0.7590035 -3.84625092 -9.6862327 0.94818668 -1.554946 -2.18445079 -2.97007301 -0.88379165 0.5207898 -2.78489006 1.87111279 1.61915535 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72-63-9 6300 170466069 A Methandrostenolone O=C3C=C4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@]1(C)O)[C@@]4(C)C=C3 Tox21_111647_1 -NCGC00163906-02 196716824 tox21-ror-cho-viability-p1 set2 4 0.1368542878 4.8063871559 -3.8063871559 1 1.6258976909 0.3360005163 0.3349287115 0 1.90884254 -8.90468746 -11.50532263 -1.43788087 -2.53045276 -0.0919956 -2.33638174 2.79865263 -0.61854915 2.36080015 0.07545032 1.12245752 1.05962566 2.6046366 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00016315-06 196716832 tox21-ror-cho-viability-p1 set2 4 0.34645682 -0.50840726 0.92376379 3.32523363 7.26297949 4.71711894 2.88075682 6.05320287 -2.15093239 3.86292465 3.07312079 -0.25781972 2.71625371 3.91929832 4.45609299 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77-04-3 4994 170466442 A Pyrithyldione CCC1(CC)C(=O)C=CNC1=O Tox21_110368_1 -NCGC00164155-02 196716837 tox21-ror-cho-viability-p1 set2 4 2.36710307 0.43806415 2.14715427 2.21018593 5.74143114 4.5069267 5.41808301 3.17244403 2.01261297 3.3515407 3.2110825 1.7786362 1.6609299 0.78827989 2.33940408 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-18-8 7180 170465711 A Benzylparaben Oc1ccc(cc1)C(=O)OCc2ccccc2 Tox21_112088_1 -NCGC00178500-07 196716839 tox21-ror-cho-viability-p1 set2 4 0.3757803576 6.2572738359 -5.2572738359 1 3.0654483358 0.571411286 0.119385936 -2.75868568 0.05894983 -10.63106153 -7.32867157 -5.52799561 -7.31300307 -2.02423453 -6.5079916 -1.5970946 -0.14273975 3.47959931 0.32341084 0 0.31689099 0.69157952 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 18883-66-4 29327 170464827 F Streptozotocin O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)N(C)N=O Tox21_110585_1 -NCGC00163903-03 196716842 tox21-ror-cho-viability-p1 set2 4 2.44967801 3.19866695 4.75252674 3.49280358 4.66681906 6.8709168 6.37476465 5.56977287 4.8795955 0.08630984 -0.48902323 -0.49580034 0.02595683 -0.2514347 4.43111244 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00247331-02 196717241 tox21-ror-cho-viability-p1 set2 4 2.42456285 0.46370073 -2.66308 0.03115686 -3.65372334 -4.6754966 -2.61458068 -5.93615707 -6.40284471 -3.02688184 -5.79522772 -5.20370374 -2.48370296 0.85876598 -6.00400717 1.1699999999E-9 2.6159999999E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.539E-8 1.462E-7 3.269E-7 7.311E-7 0.000001635 0.0000036549999999 0.000008173 0.00001828 0.000040869999999 0.00009138 20224-45-7 31143 144206420 A A S-(-)-Secobarbital O=C1NC(=O)NC(=O)C1(CC=C)[C@H](C)CCC Tox21_112867 -NCGC00179602-03 196717244 tox21-ror-cho-viability-p1 set2 4 -1.16619191 -1.56795162 -2.65948763 -5.72135113 -0.47354089 -5.6990171 0.32585003 -1.04548623 -1.25943108 -3.39121208 -1.49229559 -3.14332931 -1.57949787 -3.99023388 -4.03986813 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-85-2 5995 170464835 A Testosterone propionate CCC(=O)O[C@H]2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_110330_1 -NCGC00015831-06 196717247 tox21-ror-cho-viability-p1 set2 4 0.2795447 0.16806948 -1.0010627 0.21395408 -0.27179944 0.16778504 3.31060315 3.10534105 4.52012007 3.5863365 0.38375007 0.20878913 0.23574894 0.77478805 4.68921905 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 132-20-7 25150753 170464902 C Pheniramine maleate [O-]C(=O)/C=C\C([O-])=O.C[NH+](C)CCC(c1ccccc1)c2[nH+]cccc2 Tox21_111188_1 -NCGC00183830-01 196717188 tox21-ror-cho-viability-p1 set2 -2.4 21.1316824289 -36.6140415 0.5 -36.1140415 1.0999999999 0.8899303932 0.000519415 -0.69532095 1.11862404 -1.97539903 0.15516939 1.32220956 7.6831757 -1.52727478 2.98390425 0.14131761 -4.71284574 -2.24868111 -7.04184211 -7.45396666 -15.70844135 -26.76170125 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94739-29-4 65953 144206840 A A Lemildipine O=C(OC)C1=C(C)NC(COC(N)=O)=C(C1c2cccc(Cl)c2Cl)C(=O)OC(C)C Tox21_113289 -NCGC00253763-01 196717191 tox21-ror-cho-viability-p1 set2 4 0.0668242473 8.039113012 -6.539113012 1.5 4.4494702849 0.5042988228 0.1916203256 -13.55211638 -4.64112194 -1.88736103 -2.24468142 -3.02556475 -14.61592751 -0.22708597 -0.29065976 3.39351284 3.65526539 2.65728306 1.01961352 -0.89949268 -0.37412665 -4.78535655 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 141200-24-0 60870 170466177 A A Darglitazone Cc3oc(nc3CCC(=O)c2ccc(CC1SC(=O)NC1=O)cc2)c4ccccc4 Tox21_113876 -NCGC00015067-14 196716783 tox21-ror-cho-viability-p1 set2 4 2.01660619 -4.94142828 -3.54272579 1.48844959 -3.28272437 -1.22175384 -3.37450169 -0.11840217 -3.7751382 -3.06739028 -0.9995981 -1.73875986 1.61897699 0.27144217 -4.77914167 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-78-2 2244 170465039 Z Aspirin O=C(C)Oc1ccccc1C(=O)O Tox21_110076_1 -NCGC00095188-05 196716785 tox21-ror-cho-viability-p1 set2 4 -1.45951103 1.01026311 -0.8075094 0.45912781 1.76869741 -0.58873928 -1.58294245 -0.55707054 -1.89052657 0.01016004 1.63381498 0.18755279 -0.16197464 -1.10624742 0.98520575 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 102625-70-7 4679 170466337 A Pantoprazole COc3c(OC)ccnc3CS(=O)c1nc2cc(ccc2n1)OC(F)F Tox21_111477_1 -NCGC00160556-02 196717613 tox21-ror-cho-viability-p1 set2 -3 29.8492948118 -40.8235994639 0.5 -40.3235994639 4.0949729863 0.91604149 0.0001328858 1.69294267 0.89422904 2.59985027 0.36230014 2.09782968 4.17062224 3.39016055 3.25030471 -0.23057048 -3.17201253 -0.04498358 -4.38597342 -5.04971603 -7.6027773 -34.01966622 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 22662-39-1 31475 170466601 Z Rafoxanide Clc2cc(ccc2Oc1ccc(Cl)cc1)NC(=O)c3cc(I)cc(I)c3O Tox21_111896_1 -NCGC00015876-11 196718021 tox21-ror-cho-viability-p1 set2 4 0.75970837 0.22830443 -0.07039188 0.20874744 1.36058059 0.93295058 0.65837692 5.38568764 -0.84709215 0.04095923 -0.56382957 -2.96607739 0.03376833 0.23704349 -0.66711092 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66357-35-5 3001055 170465134 A Ranitidine [O-][N+](=O)\C=C(/NC)NCCSCc1ccc(CN(C)C)o1 Tox21_110250_1 -NCGC00091163-03 196718022 tox21-ror-cho-viability-p1 set2 4 -0.44120171 -6.68045368 -7.03181973 -1.54412956 -7.13020741 -0.16568785 0.13650869 -0.88443162 -1.79153704 -0.4173363 0.21208922 1.98822908 1.51728848 1.36198943 2.22423887 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00090789-02 196718036 tox21-ror-cho-viability-p1 set2 4 0.81035659 -1.17351063 -2.88312904 -4.12124506 2.5560179 -3.01026793 -5.03322155 -2.82917706 -11.43597135 1.00149919 0.40317431 0.51260622 0.93266612 -0.75894012 -2.19464422 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00163919-02 196718436 tox21-ror-cho-viability-p1 set2 -2.4 49.6956931991 -40.190074956 0.5 -39.690074956 1.372261 0.9524937946 0.000006374 -1.59294866 1.76024745 -1.76965057 1.56954525 1.25845929 3.71131538 3.34580172 -0.03809211 0.00189996 0.47790557 -1.88246415 -5.03182821 -7.47888465 -14.54052294 -29.74172913 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00257199-01 196718438 tox21-ror-cho-viability-p1 set2 4 1.41562624 1.03650234 1.82960211 11.68632178 0.2383408 3.44988939 0.09257975 5.04192183 0.14117571 0.61594282 3.69176552 2.36038124 2.07007625 0.24707642 2.73810497 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4792-15-8 62551 144213444 A A Pentaethylene glycol OCCOCCOCCOCCOCCO Tox21_303127 -NCGC00257375-01 196718864 tox21-ror-cho-viability-p1 set2 4 0.99904909 2.41020746 0.06552395 2.08714582 1.23101958 -0.14933066 1.26240316 -8.4602359 -10.81769892 1.64916654 2.47404091 2.30564611 1.71407263 1.40719984 -0.28959881 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-93-4 7469 144213907 A A 4-Hydroxyacetophenone O=C(C)c1ccc(O)cc1 Tox21_303602 -NCGC00256528-01 196727578 tox21-ror-cho-viability-p1 set3 -2.4 68.5896218971 -26.4850392479 -2.5 -28.9850392479 1.8851180601 0.7722139434 0.0136171346 -0.93093582 -1.26994261 -1.64326112 -3.40756251 -6.69230805 -4.49256004 -0.38268441 -0.39407306 -2.75457107 -2.66976905 2.49554197 -7.76215965 -3.86547601 -7.38448975 -20.82086604 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 136-40-3 8691 144213055 A A Phenazopyridine hydrochloride Cl.Nc2nc(N)ccc2/N=N/c1ccccc1 Tox21_302738 -NCGC00256520-01 196727145 tox21-ror-cho-viability-p1 set3 -2.4 68.5896218971 -38.852860744 2.5 -36.352860744 4.9549173134 0.9338828443 0.0000381212 2.52797611 0.59978912 2.62470734 1.52339366 0.30665766 3.37404657 4.3066183 4.26024629 4.98018351 4.93146059 -0.63974234 -1.87339484 5.1329229 0.31591067 -29.04405062 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-63-0 5284421 144213234 F F Methyl linoleate O=C(CCCCCCC/C=C\C/C=C\CCCCC)OC Tox21_302917 -NCGC00256605-01 196727147 tox21-ror-cho-viability-p1 set3 -2.4 5.4482673282 -25.572901592 2 -23.572901592 4.5044702849 0.9679451672 0.0000021274 5.46580973 5.00964237 2.17674936 1.54989564 -0.98683188 1.43146874 3.15264162 0.1369573 1.69469526 -1.10294776 -2.02652708 -20.68012407 -22.95885315 -23.39408466 -2.51505087 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 127-69-5 5344 144213168 A A Sulfisoxazole Cc2c(NS(=O)(=O)c1ccc(N)cc1)onc2C Tox21_302851 -NCGC00256861-01 196727562 tox21-ror-cho-viability-p1 set3 4 1.74994191 2.33603963 1.72793818 2.13360467 1.61228881 1.48755417 -1.86448169 -0.71887848 2.9217978 -1.55323433 3.23960524 -0.53396247 2.33357988 -0.94028588 0.53678997 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22047-49-0 13132266 144212936 F Fns 2-Ethylhexyl octadecanoate O=C(CCCCCCCCCCCCCCCCC)OCC(CCCC)CC Tox21_302619 -NCGC00257550-01 196727978 tox21-ror-cho-viability-p1 set3 4 1.67628413 -15.08665856 -3.04329165 -6.31624223 3.69904379 -7.72349676 -0.03747624 -13.07930741 -1.10169081 3.37852991 -10.57465862 1.13444569 -3.20304063 9.99326447 2.72215343 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7149-79-3 23537 144212506 A A N-(3-Chloro-4-methylphenyl)acetamide Cc1ccc(NC(C)=O)cc1Cl Tox21_302189 -NCGC00256019-01 196727995 tox21-ror-cho-viability-p1 set3 4 2.92160266 1.30657112 0.85741465 -3.17096524 -2.03157601 -0.04267248 2.08926781 -2.82449473 -4.54039315 -4.97081698 -0.9993534 -5.8494936 -2.8109616 -3.41467693 -4.20466896 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50940-49-3 175956 144211986 Ac Fc 4-[2-(Acryloyloxy)ethoxy]-4-oxobutanoic acid O=C(CCC(=O)O)OCCOC(=O)C=C Tox21_301669 -NCGC00255355-01 196728001 tox21-ror-cho-viability-p1 set3 4 8.8372827984 9.825111952 -3.325111952 6.5 3.1319983358 0.5489669555 0.1366482237 0.10617162 -3.27302648 -3.80486662 -4.00907921 4.60320058 -7.65315861 -7.33335588 -0.6020198 -9.85425996 -4.73676253 -0.86347963 0.29168917 8.60220901 8.12381692 2.85989738 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 608-25-3 11843 144212290 A A 2-Methyl-1,3-benzenediol Oc1cccc(O)c1C Tox21_301973 -NCGC00255710-01 196728002 tox21-ror-cho-viability-p1 set3 4 0.0030015777 13.5 5 18.5 1.5094870999 0.3246982025 0.3596941828 8.70651837 10.0175148 16.34953677 14.20686038 21.75866675 22.0232624 21.1569459 16.90698299 26.84925764 10.47769917 13.31882158 17.43914199 23.1362741 12.13953179 11.24375473 1.16E-9 2.5929999999E-9 5.798E-9 1.297E-8 2.8989999999E-8 6.4829999999E-8 1.45E-7 3.241E-7 7.2479999999E-7 0.000001621 0.000003624 0.000008103 0.00001812 0.00004052 0.000090599999999 56375-79-2 91822 144212417 A A N,N-Dibutyl-N-methylbutan-1-aminium chloride [Cl-].CCCC[N+](C)(CCCC)CCCC Tox21_302100 -NCGC00255442-01 196728397 tox21-ror-cho-viability-p1 set3 4 10.8707224818 -8.2597356479 4.5 -3.7597356479 3.5117481694 0.5438249646 0.1412777588 -0.14932711 -2.28465594 4.22348348 1.25102923 5.87438221 7.79200558 8.11637594 5.69039421 6.95867014 6.6959926 6.1895391 4.27409367 -5.63311304 -4.04410914 -2.0371544 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2687-94-7 3033871 144211867 A A N-Octyl-2-pyrrolidone O=C1CCCN1CCCCCCCC Tox21_301550 -NCGC00255509-01 196728812 tox21-ror-cho-viability-p1 set3 4 1.3685428777 -3.8185335919 0.5 -3.3185335919 3.1319983358 0.3619918387 0.3295705537 0.92404174 2.49549031 0.32157592 -2.01385179 -2.02843115 -1.72356704 1.06960572 1.55617139 2.15574124 -3.79138543 -0.69283852 -7.76544466 -1.66345971 -1.95510109 -0.80219266 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-91-7 5359281 144212267 A A N,N'-Disalicylidene-1,2-diaminopropane Oc2ccccc2/C=N/C(C)C/N=C/c1ccccc1O Tox21_301950 -NCGC00181914-01 196725150 tox21-ror-cho-viability-p1 set3 1.2 7.4978038628 46.7306968076 1.0076244115 47.7383212191 1.9673362061 0.9496849543 0.0000087009 1.89064699 -3.13690649 0.21152618 5.70360753 3.5638485 3.85162173 -1.79647616 3.73899414 -1.91602927 -4.10897042 8.24876453 5.34822215 32.62173089 40.78949132 47.12325127 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5486-77-1 71837 144206889 A A Alloclamide O=C(NCCN(CC)CC)c1ccc(Cl)cc1OCC=C Tox21_113338 -NCGC00255589-01 196700797 tox21-ror-cho-viability-p1 set1 4 1.10564426 -1.39997736 0.47159311 -1.03056072 0.35773889 1.33682112 -0.31315955 -0.66434295 1.71950991 1.65765433 -0.44669848 1.36489157 -0.36241036 3.70759297 4.54177159 1.1139999999E-9 2.49E-9 5.568E-9 1.2449999999E-8 2.784E-8 6.226E-8 1.3919999999E-7 3.113E-7 6.9599999999E-7 0.000001556 0.0000034799999999 0.000007782 0.0000174 0.000038909999999 0.000087 25638-17-9 60196422 144212087 F Butylnaphthalenesulfonic acid sodium salt [Na+].[O-]S(=O)(=O)c2cccc1ccc(cc12)CCCC Tox21_301770 -NCGC00254829-01 196699965 tox21-ror-cho-viability-p1 set1 -3 61.130564862 -40.553961816 0.5 -40.053961816 3.6272481694 0.9520870471 0.000006679 0.96630034 -0.4610835 1.49193342 1.65403834 -4.06125773 -1.97194753 -0.56380971 1.15698264 2.08100682 1.99658656 2.47410284 -2.67671618 1.00118216 -7.48612582 -32.54496818 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-25-8 6912870 144211244 A A Oleyl sarcosine O=C(CCCCCCC/C=C\CCCCCCCC)N(C)CC(=O)O Tox21_300927 -NCGC00255142-01 196700371 tox21-ror-cho-viability-p1 set1 4 -2.65581201 -2.21444802 -2.19918183 0 -5.65950773 -1.07997163 -2.24365631 -4.88171442 -1.15617443 -0.8958801 -0.77996091 -3.90327707 -1.74882455 2.51930724 3.98443952 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15520-10-2 85862 144211863 Ac F 2-Methylpentanediamine CC(CCCN)CN Tox21_301546 -NCGC00255969-01 196700794 tox21-ror-cho-viability-p1 set1 -1.1 24.3365162115 -91.2679338718 -0.398442653 -91.6663765248 4.9549173134 0.9885984963 1.8E-9 0.10948494 1.39212701 -2.65972384 0.08179057 -1.72882477 0 0.43186994 0.78060556 0.36972441 -0.1146901 0.08020384 -7.16933298 -14.99271609 -92.59229952 -85.70305448 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 30007-47-7 1807 144211905 F A 5-Bromo-5-nitro-1,3-dioxane O=[N+]([O-])C1(Br)COCOC1 Tox21_301588 -NCGC00256170-01 196700798 tox21-ror-cho-viability-p1 set1 4 2.04388513 3.50845161 2.22864743 -2.04071863 -1.56970066 -2.20543838 4.00236178 2.13505281 -0.66638926 -0.86562875 2.43875378 -1.40232971 1.2933099 -0.19939404 0.8201747 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-36-1 66638 144211598 A B 4-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid O=S(=O)(O)c1ccc(cc1)N2N=C(C)CC2=O Tox21_301281 -NCGC00091351-03 196700799 tox21-ror-cho-viability-p1 set1 4 -1.04050548 -4.56384005 -0.31194484 -0.84908382 1.05055903 -0.50474333 2.81801065 -4.85333512 -2.69259221 1.22306367 -12.13936771 -2.40604048 2.17540514 -3.41304223 -6.70832258 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00255701-01 196701196 tox21-ror-cho-viability-p1 set1 4 0.52496728 1.95052782 -1.86151806 -0.76423096 -4.78883901 -0.37426488 -2.15885624 -0.57180158 0.61487263 3.8709754 -3.71949339 -0.27904789 2.32884771 1.75433079 0.04377403 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 882-09-7 2797 144211997 A A Clofibric acid Clc1ccc(OC(C)(C)C(=O)O)cc1 Tox21_301680 -NCGC00256063-01 196701206 tox21-ror-cho-viability-p1 set1 4 -0.10597422 2.84743844 -0.40038185 0.69054171 2.81791682 -2.12537664 3.64078418 5.12040487 -0.40561868 4.59660845 3.5732565 2.94326693 -0.78770942 5.62432312 4.10364973 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.00009175 133-37-9 875 144212369 A A dl-Tartaric acid O=C(O)C(O)C(O)C(O)=O Tox21_302052 -NCGC00255943-01 196701209 tox21-ror-cho-viability-p1 set1 4 3.16054188 3.20216508 -2.12083417 3.14940884 3.37539423 -1.88003843 0.35858111 1.10462512 1.68660165 0.61270895 4.01521835 1.49987196 3.03999479 3.94711183 0.07507994 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-00-9 8500 144212340 A D p-Methylacetophenone Cc1ccc(cc1)C(=O)C Tox21_302023 -NCGC00256053-01 196701211 tox21-ror-cho-viability-p1 set1 4 27.8623340816 -25.84835952 0.5 -25.34835952 0.4 0.5835853577 0.1090275234 2.74750041 -1.46107175 0.32154421 -4.1803851 2.56802575 -6.29179677 -0.7058651 -0.59167128 -6.69946019 -3.58460648 -11.32867213 -13.24126962 0.78384218 -17.7902996 -17.61764466 1.1999999999E-9 2.683E-9 5.999E-9 1.3409999999E-8 2.999E-8 6.707E-8 1.5E-7 3.353E-7 7.499E-7 0.000001677 0.000003749 0.000008384 0.00001875 0.00004192 0.00009373 7360-44-3 16683978 144212560 Fc Aluminum hydroxide acetate (1:2:1) O[Al](O)OC(C)=O Tox21_302243 -NCGC00091632-02 196701612 tox21-ror-cho-viability-p1 set1 4 10.8707224818 -24.2577222879 -4 -28.2577222879 0.6 0.5788075462 0.1124925389 -3.84228084 -8.31606395 -5.7878094 1.37206618 -10.23292781 0.28952927 -7.67540012 -6.04502552 -1.14914392 -16.68523079 -18.55240752 -3.69922258 -24.38143524 -18.82630863 -23.03567101 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00254027-01 196698747 tox21-ror-cho-viability-p1 set1 4 1.0870722482 -4.5080332479 1 -3.5080332479 3.1924983358 0.3366544186 0.3506986136 0.16340585 0.40468981 -1.04976074 1.69354712 2.76536594 0.55265221 2.03765554 1.0490389 -0.69541645 -1.36015028 -9.17336104 0.18041121 2.17370475 -8.16196632 1.12989726 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51-30-9 5807 144210628 A A Isoproterenol hydrochloride Cl.Oc1ccc(cc1O)C(O)CNC(C)C Tox21_300308 -NCGC00160517-03 196698329 tox21-ror-cho-viability-p1 set1 4 2.69656532 2.92479074 3.48709709 -1.38207865 6.66475622 2.89742847 3.95665887 -0.88269676 1.77114611 0.86912074 5.40284808 2.97798103 0.4728837 -0.36201488 4.43124169 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5355-16-8 21453 170466394 A Diaveridine Nc2nc(N)ncc2Cc1ccc(OC)c(OC)c1 Tox21_111866_1 -NCGC00164127-07 196717667 tox21-ror-cho-viability-p1 set2 -2.4 26.6032120037 -37.782668692 3 -34.782668692 2.3531167061 0.8717980344 0.0010846465 3.45175011 0.03078992 1.02915037 2.89637599 7.93037261 6.91030107 6.87631001 6.11277434 1.86212685 -0.23558534 -3.24971359 0.24121526 -0.57721034 -9.42211744 -26.90222391 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 140-66-9 8814 170465157 Z 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_112084_1 -NCGC00166079-02 196717248 tox21-ror-cho-viability-p1 set2 4 26.6032120037 -25.549218648 2 -23.549218648 1.5385888099 0.9006509278 0.0003147461 2.89904474 -0.36603355 0.6305085 1.67104273 2.64303201 4.37090848 5.44426992 4.22699201 0.96511663 -0.20587236 -0.38145074 0.9352616 -2.21265734 -7.59887625 -16.29101554 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 85-83-6 5876571 170465710 F C.I. Solvent Red 24 Cc4ccccc4/N=N/c3ccc(/N=N/c1c2ccccc2ccc1O)c(C)c3 Tox21_112307_1 -NCGC00247705-01 196717666 tox21-ror-cho-viability-p1 set2 2.4 76.3389203159 33.6291983679 -3.1291983679 30.5 3.6772481694 0.8812083415 0.0007540492 -5.1888631 -5.58702817 -2.61285297 0.77000363 -4.52832253 -2.7096034 -0.85025648 -0.94824641 -6.59015628 -7.19099864 -3.49617478 -0.96494373 1.56570759 1.90478296 23.68948805 1.42E-9 3.175E-9 7.0989999999E-9 1.587E-8 3.549E-8 7.9369999999E-8 1.775E-7 3.9679999999E-7 8.874E-7 0.000001984 0.000004437 0.0000099209999999 0.000022179999999 0.000049609999999 0.0001109 26194-77-4 60196330 144206411 A A (S)-(+)-N-Ethylamphetamine hydrochloride Cl.C[C@H](NCC)Cc1ccccc1 Tox21_112858 -NCGC00159374-03 196718070 tox21-ror-cho-viability-p1 set2 4 3.61991637 3.25846259 2.261319 1.9689209 4.71871876 5.69948138 5.39595325 7.0887009 0.87109601 2.48450426 -0.21349658 1.11619187 3.52739715 3.38724747 4.17464144 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 302-17-0 2707 170465484 F Chloral hydrate ClC(Cl)(Cl)C(O)O Tox21_111614_1 -NCGC00163355-05 196718067 tox21-ror-cho-viability-p1 set2 4 -2.60221535 -4.89920411 -0.64520122 0.27477686 0.55692812 -5.09267752 -2.04671142 -0.43724532 -5.37731133 -4.20216915 -4.30757327 -1.14326458 -1.19260989 -3.23401672 -5.79066546 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 482-89-3 5318432 170465746 F Indigo O=C3c4ccccc4N/C3=C2/Nc1ccccc1C2=O Tox21_112052_1 -NCGC00166397-04 196718071 tox21-ror-cho-viability-p1 set2 -2.4 26.6032120037 -29.3174984239 1.5 -27.8174984239 4.4494702849 0.986715673 4.4E-9 1.12388774 2.01284901 1.99754705 2.12939763 1.53936761 1.8252873 1.2112662 1.02053547 1.93294802 1.73150331 -0.48397904 -0.31733284 0.84462081 -5.78673966 -25.26458202 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26786-32-3 33611 170465926 D Lofepramine hydrochloride Cl.Clc1ccc(cc1)C(=O)CN(C)CCCN3c4ccccc4CCc2ccccc23 Tox21_112414_1 -NCGC00178395-04 196718075 tox21-ror-cho-viability-p1 set2 4 1.05202596 0.38834476 -7.75180614 -4.16134441 -3.3572603 -6.27816362 -0.89618904 -5.55996772 -3.03227211 1.89090547 -3.80570321 -0.02405094 -3.70342507 1.78562131 -3.08983786 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 129-77-1 8520 170465927 A Piperidolate hydrochloride Cl.CCN3CCCC(OC(=O)C(c1ccccc1)c2ccccc2)C3 Tox21_110415_1 -NCGC00256870-01 196718085 tox21-ror-cho-viability-p1 set2 4 0.77707551 1.53591347 -0.88725369 -1.52475454 6.77894355 8.63420983 1.16095748 1.38168658 -0.20266621 5.89135314 -0.08304266 -3.33599504 1.67900949 0.38169808 -0.12813749 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 28069-72-9 5362833 144212791 A A trans-2,cis-6-Nonadien-1-ol CC\C=C/CC\C=C\CO Tox21_302474 -NCGC00163927-04 196718488 tox21-ror-cho-viability-p1 set2 4 -4.31634668 -4.36767582 -0.28870396 -3.79570164 -8.95131164 -7.82394984 -6.38340303 -2.38850214 0.30417493 0.32395167 -0.6353112 -3.60650741 -0.46388716 -1.05217852 -3.61642528 1.203E-9 2.6889999999E-9 6.014E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003759 0.000008404 0.000018789999999 0.00004202 0.000093959999999 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00257359-01 196718503 tox21-ror-cho-viability-p1 set2 4 3.8570778872 6.4566811599 -4.4566811599 2 4.9549173134 0.4822074565 0.1954830967 -1.1844448 -1.27268078 -1.11827291 -1.5589432 -1.99111825 -10.7972343 -8.16968012 -5.10765107 -7.94666654 -5.69645456 -2.22221888 6.01465822 -0.31671404 0.66644905 2.883039 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 79917-90-1 2734161 144213916 A 1-Butyl-3-methylimidazolium chloride [Cl-].CCCCn1cc[n+](C)c1 Tox21_303611 -NCGC00164168-02 196718508 tox21-ror-cho-viability-p1 set2 4 -0.8846147 -1.89763203 2.39431864 -1.09543815 -1.38824511 -0.83501751 3.0686584 0.30963993 -1.44160649 -1.2373609 1.75752736 2.24400236 1.75015512 0.61125024 -1.59912134 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.000096319999999 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00091830-04 196718899 tox21-ror-cho-viability-p1 set2 4 -1.28686406 0.71271151 -1.08488775 -2.5074128 -4.29653441 -3.65799169 -3.42770167 2.03744823 0.47224406 0.17178072 -3.05594139 0.81033119 -6.22663786 -1.66594439 -7.41971919 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00179596-03 196716868 tox21-ror-cho-viability-p1 set2 4 29.8492948118 -29.09275554 3.5 -25.59275554 2.8472712143 0.811813082 0.0061694656 1.67791744 0.38796233 4.2358309 4.30259471 6.82484477 7.34175901 7.83846039 7.15636353 0.21969129 0.99092438 0.31442926 0.58889998 0.09072463 -2.90276657 -19.24396295 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64872-77-1 47471 170464901 A Butoconazole nitrate [O-][N+](=O)O.Clc1ccc(cc1)CCC(Sc2c(Cl)cccc2Cl)Cn3ccnc3 Tox21_110624_1 -NCGC00255030-01 196719730 tox21-ror-cho-viability-p1 set3 4 9.48470983 15.99362531 -3.06861734 3.39647239 1.46907827 10.44616084 13.51485606 8.63561601 8.66786039 7.76263099 10.42913645 -8.30205883 6.00511518 2.52158936 7.66153274 6.312E-10 1.4109999999E-9 3.156E-9 7.056E-9 1.578E-8 3.5279999999E-8 7.889E-8 1.764E-7 3.945E-7 8.821E-7 0.000001972 0.00000441 0.000009862 0.00002205 0.00004931 109-73-9 8007 144211448 D Butylamine CCCCN Tox21_301131 -NCGC00256771-01 196719305 tox21-ror-cho-viability-p1 set2 4 0.61543372 2.15163642 0.42991075 2.36492471 0.42504168 0.76942995 -0.38999909 -11.92975341 0.43140438 1.39057929 1.06933867 9.09489235 3.93148634 1.34666219 1.11080136 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 28940-11-6 120101 144213000 A F 7-Methyl-2H-1,5-benzodioxepin-3(4H)-one Cc1cc2OCC(=O)COc2cc1 Tox21_302683 -NCGC00254859-01 196719706 tox21-ror-cho-viability-p1 set3 4 0.002730602 17.203611728 -19.203611728 -2 0.6 0.6509933301 0.0641026752 -11.53459927 -15.16967644 -5.67533776 -1.94431713 -7.79168946 -6.90825589 -2.76729976 -5.2160454 -1.56203758 -2.33638809 -3.64616755 0.38060319 -3.01950192 -2.32821635 -2.51693247 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67-68-5 679 144211274 A A Dimethyl sulfoxide CS(C)=O Tox21_300957 -NCGC00254124-01 196719711 tox21-ror-cho-viability-p1 set3 4 0.06483764 11.96825328 7.48306867 13.37783676 -2.18670643 0.62388689 0 12.00952922 -6.05045875 -0.08810889 -0.78757058 -3.73912623 8.86390577 12.92641966 7.04795199 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-72-2 6944 144210352 AC Ac 2-Nitrotoluene Cc1ccccc1[N+](=O)[O-] Tox21_300032 -NCGC00090750-04 196720130 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -22.3383548039 -2 -24.3383548039 4.9549173134 0.5637780365 0.1246567427 -4.25994301 -7.14849219 -0.06035493 3.24521009 1.67366016 -1.42629563 -7.05680293 2.03927025 -4.8785773 -0.0873688 -3.16862917 -4.73473716 -7.28359312 1.412148 -18.61529567 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00254186-01 196720131 tox21-ror-cho-viability-p1 set3 4 0.4855773367 13.472700116 -0.472700116 13 4.9549173134 0.7975815142 0.0116320346 3.04232854 -4.56058343 0.49214449 5.21310114 -3.94566717 0.66106711 -3.24479826 -0.84553383 13.36427232 15.95757402 15.53707835 12.48445684 13.9551557 6.30411247 0.19146417 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 584-13-4 11432 144210517 A Ac 4-Amino-1,2,4-triazole Nn1cnnc1 Tox21_300197 -NCGC00090952-07 196720133 tox21-ror-cho-viability-p1 set3 4 34.9713969285 -24.4156453039 -2 -26.4156453039 1.21 0.5349327773 0.1644378808 -3.09829265 -7.05973802 -3.3213532 2.66694892 -1.12502116 1.80294276 -5.6182927 3.27253719 -6.94662896 0.44318032 -5.86898739 -8.89115726 -4.04657481 -18.67970442 -4.10070765 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00254609-01 196720538 tox21-ror-cho-viability-p1 set3 4 0.7695882154 -13.86822204 -1.5 -15.36822204 4.4494702849 0.5735344993 0.1165242304 -1.31309213 -4.79440126 2.30551356 -8.66419706 -0.67740141 1.86510639 -4.68371913 1.77169288 -6.7195996 -20.22765607 -12.58535293 -20.76746244 -0.35169767 -22.8068517 -14.83965175 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27314-13-2 33775 144211018 A A Norflurazon FC(F)(F)c1cc(ccc1)N2N=CC(NC)=C(Cl)C2=O Tox21_300701 -NCGC00254834-01 196720542 tox21-ror-cho-viability-p1 set3 4 0.0001187225 13.510118828 -15.510118828 -2 0.7999999999 0.5267002351 0.4099738874 -49.73650995 -12.09176569 -4.0520208 -1.31872015 -2.08235164 -3.10243497 -4.68950451 -3.7866945 -2.2744212 -0.41921968 -1.2115771 -2.75581945 -2.96610191 -3.42170873 1.24370383 6.488E-11 1.451E-10 3.244E-10 7.2539999999E-10 1.622E-9 3.627E-9 8.1109999999E-9 1.814E-8 4.055E-8 9.0679999999E-8 2.028E-7 4.534E-7 0.000001014 0.0000022669999999 0.000005069 110-95-2 8084 144211249 FNS N,N,N',N'-Tetramethyl-1,3-propanediamine CN(C)CCCN(C)C Tox21_300932 -NCGC00253916-01 196720555 tox21-ror-cho-viability-p1 set3 4 0.0054482673 14.4248627279 -14.4248627279 0 0.8999999999 0.5259002609 0.1562212653 -10.08698446 -12.02071894 -5.88838501 -1.74468828 -4.17558309 -4.63042875 -0.65228777 2.62001967 2.2322641 2.57904151 -4.985165 -4.68300526 2.69880392 -5.8508668 5.66208107 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66-27-3 4156 144210619 CC Methyl methanesulfonate CS(=O)(=O)OC Tox21_300299 -NCGC00258628-01 196715567 tox21-ror-cho-viability-p1 set2 4 3.53140857 -0.29453955 0.33117663 0.2306242 2.36733325 1.82908679 0.19768017 0.93121553 3.63320963 5.15731191 0.29925271 1.38207832 0.73652008 0.11638793 1.45380894 1.235E-9 2.762E-9 6.175E-9 1.381E-8 3.087E-8 6.904E-8 1.544E-7 3.452E-7 7.719E-7 0.0000017259999999 0.000003859 0.00000863 0.000019299999999 0.00004315 0.00009648 96-49-1 7303 144208273 A A 1,3-Dioxolan-2-one O=C1OCCO1 Tox21_201075 -NCGC00091426-02 196715145 tox21-ror-cho-viability-p1 set2 4 -1.22989967 -0.42498189 -0.24566351 0.00486925 2.17939504 0.47374547 0.06311705 3.67734094 1.83379887 0.03332045 -0.52725464 -1.24274464 0.23102305 -3.2116762 0.51667258 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00257649-01 196715553 tox21-ror-cho-viability-p1 set2 -1.1 13.9848037385 -96.5254767625 -1.651812964 -98.1772897265 1.78848746 0.9928774429 1E-10 -0.18946755 -3.71024195 -2.747865 1.11546875 0.62797331 -0.30151809 -0.67874914 -2.54846441 -0.73197343 -8.99580531 -9.56875154 -22.48253565 -53.05284004 -87.08343413 -90.40266089 9.917E-10 2.218E-9 4.959E-9 1.1089999999E-8 2.479E-8 5.544E-8 1.24E-7 2.7719999999E-7 6.198E-7 0.0000013859999999 0.000003099 0.00000693 0.0000155 0.000034649999999 0.00007748 68844-77-9 2247 144207293 A A Astemizole Fc1ccc(cc1)Cn4c5ccccc5nc4NC3CCN(CCc2ccc(OC)cc2)CC3 Tox21_200095 -NCGC00258438-01 196729646 tox21-ror-cho-viability-p1 set3 1.1 17.1238618846 60.6869693571 2.7807810029 63.46775036 3.9899729863 0.9589922966 0.0000028129 2.84415047 4.83279939 9.69607708 0.56530887 0.03856314 0.06590552 -0.4642685 3.36525724 14.1278314 0.69923437 -0.68420689 -0.64190964 39.63849692 63.2975004 60.68414933 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 55268-75-2 41375 144208082 A A Cefuroxime CO\N=C(\c1ccco1)C(=O)N[C@@H]3C(=O)N2C(=C(COC(N)=O)CS[C@@H]23)C(=O)O Tox21_200884 -NCGC00090910-03 196729250 tox21-ror-cho-viability-p1 set3 4 0.0016092128 11.4047208679 -12.4047208679 -1 4.9549173134 0.6320803056 0.0766287303 -10.33726739 -0.56743532 -3.00980203 -3.84860146 -0.37895392 0.46780214 -0.20838847 -0.58833517 -0.05644051 2.82088212 -3.13245181 -2.97870867 -0.325238 1.19566804 -2.33410605 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00258461-01 196729641 tox21-ror-cho-viability-p1 set3 4 2.38061761 -3.82541013 1.8714271 -4.74379421 2.23089173 1.11673145 2.178792 -5.49302033 -3.20393485 0.31654342 0 0 2.92621164 -3.86458563 0.31611961 1.194E-9 2.6689999999E-9 5.969E-9 1.335E-8 2.9839999999E-8 6.6729999999E-8 1.4919999999E-7 3.337E-7 7.4609999999E-7 0.000001668 0.0000037309999999 0.000008342 0.00001865 0.00004171 0.00009326 500-64-1 5281565 144208105 A A Kavain O=C2C=C(C[C@H](/C=C/c1ccccc1)O2)OC Tox21_200907 -NCGC00258168-01 196729642 tox21-ror-cho-viability-p1 set3 4 -2.24762079 6.75136397 6.17900919 3.05157152 -3.08160355 1.64347349 -3.74970474 6.12102824 2.06763534 0.52628746 0.68363052 -2.46695783 1.34652778 5.45292185 6.58018211 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.3529999999E-7 0.0000016439999999 0.0000036769999999 0.000008221 0.000018379999999 0.00004111 0.00009192 330671-29-9 53316409 144207812 A A 1-Butyl-1-methylpyrrolidinium hexafluorophosphate CCCC[N+]1(C)CCCC1.F[P-](F)(F)(F)(F)F Tox21_200614 -NCGC00091080-03 196729658 tox21-ror-cho-viability-p1 set3 4 0.83020582 0.18541155 -1.72901362 -0.0451741 0.50274938 0.57565427 -0.50875235 0.74260497 -0.30192777 -0.29034331 1.6409102 0.68740019 -2.14207121 0.18129144 -0.85544711 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00258353-01 196729659 tox21-ror-cho-viability-p1 set3 4 67.8230651971 -21.2401593719 -1.5 -22.7401593719 4.9549173134 0.8382882197 0.0031963815 -0.77926185 -1.32456788 -1.75102431 -1.50317272 -0.26704987 0.46759802 0.83523672 -6.45813403 0.2755868 0.72825106 -0.14165883 -4.35784849 -2.8252175 -3.07966953 -18.95013281 1.1689999999E-9 2.6129999999E-9 5.844E-9 1.3069999999E-8 2.922E-8 6.5339999999E-8 1.461E-7 3.267E-7 7.305E-7 0.0000016329999999 0.000003652 0.000008167 0.00001826 0.000040829999999 0.000091309999999 471-53-4 10114 144207997 A A Glycyrrhetinic acid O=C(O)[C@@]4(C)CC[C@]5(C)CC[C@]3(C)C(=CC(=O)[C@H]2[C@@]3(C)CC[C@@H]1[C@]2(C)CC[C@H](O)C1(C)C)[C@@H]5C4 Tox21_200799 -NCGC00258371-01 196730063 tox21-ror-cho-viability-p1 set3 4 44.7335084362 13.3776062119 -1.3776062119 12 2.7202212143 0.7096904967 0.0343503179 -2.9238527 -5.73133851 -2.7755638 0.59330741 -4.60780087 -0.83854381 1.75157465 -0.69586408 0.4634174 -0.00672707 1.289148 -0.47891537 -0.74645194 4.93123321 10.4115469 1.213E-9 2.7119999999E-9 6.064E-9 1.3559999999E-8 3.0319999999E-8 6.78E-8 1.516E-7 3.39E-7 7.58E-7 0.000001695 0.0000037899999999 0.000008474 0.00001895 0.000042369999999 0.00009475 108-05-4 7904 144208015 FNS Vinyl acetate CC(=O)OC=C Tox21_200817 -NCGC00258667-01 196730071 tox21-ror-cho-viability-p1 set3 4 -0.45169145 0.0455878 0.72048966 1.98303509 0.66839601 2.74392621 1.12809532 0.76192692 1.6923559 -1.24583042 1.81654591 -1.53375489 -1.63515649 -1.20432199 -0.60983212 1.1609999999E-9 2.5969999999E-9 5.8069999999E-9 1.298E-8 2.903E-8 6.492E-8 1.4519999999E-7 3.246E-7 7.258E-7 0.000001623 0.000003629 0.000008115 0.000018149999999 0.00004057 0.00009073 NOCAS_24858 2879 144208313 D m,p-Cresol mixture Cc1ccc(O)cc1 Tox21_201115 -NCGC00256997-01 196726390 tox21-ror-cho-viability-p1 set3 4 -0.01261001 -1.79493572 -9.18737971 -0.84612516 1.50483536 -7.15650254 0 -0.47628846 0 -1.86262348 -2.22683237 1.6458256 -3.32085864 -2.13798644 -0.72751771 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 558-37-2 11210 144213560 Fns 3,3-Dimethyl-1-butene C=CC(C)(C)C Tox21_303243 -NCGC00179295-03 196725986 tox21-ror-cho-viability-p1 set3 4 8.4126743008 8.519565428 -3.019565428 5.5 4.9549173134 0.3474345251 0.3394807837 -4.23743442 -3.88169672 -8.97736621 -5.68894268 -0.59564962 2.30955945 -2.60291696 1.57667046 -3.77886353 1.02768928 -1.79389012 -9.18297119 2.333081 5.53623412 -8.51553988 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59263-76-2 65483 170466363 A Meptazinol hydrochloride Cl.CN1CCCCC(CC)(C1)c2cccc(O)c2 Tox21_110665_1 -NCGC00274077-01 196725987 tox21-ror-cho-viability-p1 set3 1.4 0.0053080386 20.2839148719 -2.7839148719 17.5 2.4063783767 0.8037299718 0.0103162924 -0.7706919 -4.81992906 2.55803213 9.48241004 16.42415542 19.18557305 13.59615821 19.90284901 20.511247 17.15252255 26.87222989 16.23286313 11.83406638 12.13627376 6.39683001 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13609-67-1 26133 170465456 I Hydrocortisone 17-butyrate OCC(=O)[C@@]4(OC(=O)CCC)CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_111397_1 -NCGC00256369-01 196726386 tox21-ror-cho-viability-p1 set3 4 -3.2788505 1.7086747 -3.67031584 -24.04408278 -10.80167345 -24.22691804 0 -3.94944334 0 -4.330714 -1.06797856 -2.44633358 1.5144242 -1.25596503 -0.15697182 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-18-4 7285 144213280 Ac 1,2,3-Trichloropropane ClCC(Cl)CCl Tox21_302963 -NCGC00163774-04 196702462 tox21-ror-cho-viability-p1 set1 4 -0.44906627 1.68231995 0.04075691 4.03323835 2.7917676 8.22959094 1.49720556 3.42349686 1.67854001 2.8882734 -0.18173595 4.72053497 7.05094341 2.81209203 3.49098116 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00257987-01 196702445 tox21-ror-cho-viability-p1 set1 4 1.75795077 2.94895928 0.40822215 6.84834843 -1.02426917 -0.15608241 -1.66269616 0.05767161 -0.70122247 5.42481289 -8.63315691 3.88168144 0.27170534 3.45582396 2.53759126 1.188E-9 2.657E-9 5.942E-9 1.3289999999E-8 2.971E-8 6.6439999999E-8 1.486E-7 3.3219999999E-7 7.428E-7 0.0000016609999999 0.000003714 0.000008305 0.00001857 0.00004152 0.00009285 105-08-8 7735 144207631 A A 1,4-Cyclohexanedimethanol OCC1CCC(CO)CC1 Tox21_200433 -NCGC00258167-01 196702451 tox21-ror-cho-viability-p1 set1 4 10.8707224818 14.292989728 -2.292989728 12 0.3 0.6225680409 0.0823134753 -3.57749144 1.38351999 -0.74230541 0.60073167 -1.48383928 -0.40538792 1.19160229 1.64076451 0.51862083 5.73235747 5.863665 -1.38589033 6.8594883 5.85224299 8.84871601 1.18E-9 2.6389999999E-9 5.9009999999E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.299E-7 7.376E-7 0.000001649 0.000003688 0.0000082469999999 0.00001844 0.000041229999999 0.0000922 797789-00-5 2734177 144207811 A A 1-Hexylpyridinium hexafluorophosphate F[P-](F)(F)(F)(F)F.CCCCCC[n+]1ccccc1 Tox21_200613 -NCGC00258460-01 196702460 tox21-ror-cho-viability-p1 set1 -1.1 7.6802321654 -80.8233021583 -4.313522585 -85.1368247433 2.1210667061 0.9749850479 1.72E-7 -8.16934473 2.13843318 -8.96051524 -2.37248999 -3.10356718 -4.33396143 -5.10012495 0.53897478 -4.82351153 -16.20892699 -9.68171858 -54.57692249 -67.91081862 -85.99679267 -84.34045991 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 55-55-0 5930 144208104 FNS N-Methyl-p-aminophenol sulfate CNc1ccc(O)cc1.O=S(=O)(O)O.CNc1ccc(O)cc1 Tox21_200906 -NCGC00258481-01 196702857 tox21-ror-cho-viability-p1 set1 4 0.0204372362 -6.92996538 1 -5.92996538 4.9549173134 0.3948207334 0.2776804945 4.72044245 -1.9763658 -1.26446193 2.53851284 -9.57065183 -4.68399465 -8.3047081 -0.85884924 2.07113815 -9.07580452 -5.68354045 -8.01574038 -10.77497115 -5.89888461 -3.16542619 1.2359999999E-9 2.764E-9 6.1809999999E-9 1.382E-8 3.09E-8 6.9099999999E-8 1.545E-7 3.4549999999E-7 7.7259999999E-7 0.0000017279999999 0.000003863 0.000008638 0.000019309999999 0.00004319 0.000096569999999 352-93-2 9609 144208125 FNS Diethyl sulfide CCSCC Tox21_200927 -NCGC00255420-01 196700827 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -21.37115856 -2 -23.37115856 4.4494702849 0.8455872335 0.0026026171 -2.81504333 -3.22430248 -0.46410757 -2.21882216 -2.57286968 -2.5577091 -4.9933418 -2.40301613 -6.40320625 0.24417474 -3.1010676 -3.31604309 -0.31258605 -3.59160894 -19.0592988 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 317318-84-6 9934458 144212728 A A {4-[({2-[3-Fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl}methyl)sulfanyl]-2-methylphenoxy}acetic acid O=C(O)COc1ccc(cc1C)SCc2sc(nc2C)c3cc(F)c(cc3)C(F)(F)F Tox21_302411 -NCGC00256278-01 196700399 tox21-ror-cho-viability-p1 set1 4 136.8542877692 10.10389778 -0.10389778 10 0.5 0.3294631295 0.3453076821 2.15970097 0.20150546 -1.04796642 -3.00324815 -0.92358085 0.52238333 0.41595029 0.44099883 2.54969177 0.04133925 2.45640896 4.60969694 0.07539608 -0.64277682 7.67987797 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2420-87-3 75494 144212012 F A 5,5'-Bi-2-benzofuran-1,1',3,3'-tetrone O=C1OC(=O)c2cc(ccc12)c3ccc4C(=O)OC(=O)c4c3 Tox21_301695 -NCGC00256050-01 196700406 tox21-ror-cho-viability-p1 set1 4 0.0172289341 -5.802011872 -1.786248344 -7.588260216 4.9549173134 0.4948618464 0.184966466 -3.14227246 -1.56174705 -1.07187362 -2.06982713 -11.32355018 -2.07644062 -5.28321866 -10.06069374 -9.59647476 -5.61100513 -8.53976923 -4.01017401 -8.40720766 -7.79452792 -9.16236815 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1732-10-1 15612 144212030 A A Dimethyl nonanedioate O=C(CCCCCCCC(=O)OC)OC Tox21_301713 -NCGC00255976-01 196700826 tox21-ror-cho-viability-p1 set1 4 21.6899429044 14.2303752279 -3.7303752279 10.5 1.1340999999 0.8740153332 0.0010138652 -1.64694433 -2.50470677 -4.77531269 -4.3384703 -4.47818646 -4.35044886 -4.37264976 -4.13179611 -3.71603576 0.89824662 -4.18298312 -0.89883021 3.3628162 5.68132799 8.03727219 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-53-3 7392 144212349 A A 4-tert-Butylcyclohexanone O=C1CCC(CC1)C(C)(C)C Tox21_302032 -NCGC00255975-01 196701222 tox21-ror-cho-viability-p1 set1 4 -7.25553215 1.59460202 -4.9714036 -7.52254842 0.19451584 -1.06808878 1.13451263 -8.057979 1.35821099 -0.49190835 -10.67139624 -4.43507141 -5.73577038 -9.65649968 1.20602198 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 765-15-1 69827 144212241 A Ac Lauryl thiocyanate N#CSCCCCCCCCCCCC Tox21_301924 -NCGC00258043-01 196701642 tox21-ror-cho-viability-p1 set1 4 4.01700828 1.78834537 4.93829646 6.2402583 3.15345958 -0.89018475 3.92444109 4.51131534 6.29142126 3.24212956 -1.23926841 -1.22625453 0.25483488 3.69005169 0.87177254 1.198E-9 2.679E-9 5.9899999999E-9 1.339E-8 2.995E-8 6.697E-8 1.4979999999E-7 3.3489999999E-7 7.488E-7 0.0000016739999999 0.000003744 0.000008371 0.000018719999999 0.000041859999999 0.00009359 20570-96-1 146540 144207687 D Benzylhydrazine dihydrochloride Cl.Cl.NNCc1ccccc1 Tox21_200489 -NCGC00256317-01 196718526 tox21-ror-cho-viability-p1 set2 4 6.8589621897 -12.7561684479 10.5 -2.2561684479 4.9549173134 0.5635088641 0.1245689619 7.83210456 7.67596109 8.86067305 10.83919749 7.47195135 10.18979484 8.26552237 15.50257929 7.04745407 6.35537959 23.5130003 -0.82579214 1.79421997 -1.80224628 -4.79680704 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 607-57-8 11831 144213087 A A 2-Nitrofluorene [O-][N+](=O)c1ccc2c3ccccc3Cc2c1 Tox21_302770 -NCGC00254200-01 196720593 tox21-ror-cho-viability-p1 set3 4 8.31985614 -6.61430354 -1.86615511 10.51313611 0.96955544 11.42257486 8.3890307 11.07265132 6.05724476 10.74023877 4.42277192 -6.12396331 14.67305171 13.32753034 2.66842318 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-12-0 6917 144210393 C D N-Vinyl-2-pyrrolidone O=C1CCCN1C=C Tox21_300073 -NCGC00254919-01 196720596 tox21-ror-cho-viability-p1 set3 4 0.0024336516 15.405947928 -21.609275116 -6.203327188 0.7 0.616640332 0.0862223241 -13.09465479 -19.67439593 -7.71889264 -10.32920562 -9.09420737 -6.35980875 -9.17718967 -5.95715524 -5.2087117 -6.18124741 -6.27271625 -7.44605631 -7.41199304 -4.33610599 -8.33077313 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7696-12-0 83975 144211334 B B Tetramethrin C\C(C)=C/C3C(C(=O)OCN2C(=O)C=1CCCCC=1C2=O)C3(C)C Tox21_301017 -NCGC00094532-06 196720601 tox21-ror-cho-viability-p1 set3 4 0.0062188915 -9.0016611319 7.5 -1.5016611319 4.9549173134 0.5792243523 0.1279196098 2.65044721 12.30903111 4.18577464 -5.83471761 2.82694999 -3.29305255 -4.25182579 -2.93839321 0.2156547 -1.22667258 -1.18977793 0.19074157 0.45000929 -1.74050164 1.96643998 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00256619-01 196718112 tox21-ror-cho-viability-p1 set2 4 -1.11852929 -2.91045749 -1.16780912 1.32670339 -2.29822973 -5.97126875 -4.08997854 2.08958184 2.91977013 3.91401025 -3.40661711 -0.08411695 -1.83607649 -5.84256358 -6.33701986 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 22694-96-8 31492 144213922 Fns 2,4,5-Trimethyl-3-oxazoline CC1OC(C)N=C1C Tox21_303617 -NCGC00256555-01 196718115 tox21-ror-cho-viability-p1 set2 4 0.52137101 2.87262287 0.77435757 2.07628443 1.58312832 6.62120688 0.00621381 4.50136221 1.49655104 5.99695736 7.14764817 9.73202541 0.37766393 6.25834292 1.51802309 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7705-08-0 166033 144213235 Ferric chloride [Fe+3].[Cl-].[Cl-].[Cl-] Tox21_302918 -NCGC00257381-01 196718523 tox21-ror-cho-viability-p1 set2 4 2.43088837 0.3617037 -1.03148083 4.12130791 -1.13960037 6.29862221 1.07851436 7.16409952 2.46833836 1.78236073 2.38795705 2.89199627 3.63890717 3.02251932 1.53904898 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17689-77-9 87244 144213724 F Fns Ethyltriacetoxysilane O=C(C)O[Si](OC(C)=O)(OC(=O)C)CC Tox21_303413 -NCGC00257260-01 196718932 tox21-ror-cho-viability-p1 set2 4 -1.13283948 -3.21117526 -2.7479098 -0.08739871 -3.72908868 1.39411457 -13.73153627 1.34724147 -1.35791691 3.06947456 -3.42572232 -4.71668627 2.58978853 -1.05534413 2.92291425 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-13-2 7694 144213756 A A 4-Butylaniline Nc1ccc(CCCC)cc1 Tox21_303446 -NCGC00256933-01 196718934 tox21-ror-cho-viability-p1 set2 4 3.07783845 5.30866378 1.07771284 0 0.0630972 4.37160941 4.30130614 19.7091094 14.59615821 4.06493065 -1.24754324 0.67295566 0.9671625 -1.38303157 2.70063708 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 933-75-5 13618 144213433 A A 2,3,6-Trichlorophenol Oc1c(Cl)ccc(Cl)c1Cl Tox21_303116 -NCGC00257071-01 196718936 tox21-ror-cho-viability-p1 set2 4 1.64972654 2.40469189 2.60579824 -0.77855031 0.3117082 -0.11618318 2.04102858 -0.91352203 -1.46404955 0.06453218 -0.94469713 6.54699528 1.52684813 1.93171925 1.72227122 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 7664-38-2 1004 144213563 A A Phosphoric acid O=P(O)(O)O Tox21_303246 -NCGC00257151-01 196718948 tox21-ror-cho-viability-p1 set2 4 0.216899429 6 1.5 7.5 4.9549173134 0.5168306731 0.1645973254 1.56803367 1.30362477 1.7392531 2.64420833 1.99410525 1.3119587 1.19660254 8.83255375 8.63710608 2.48434134 10.7219908 10.85964447 11.37321057 0.34431523 7.84349845 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 629-59-4 12389 144213594 F Fns Tetradecane CCCCCCCCCCCCCC Tox21_303277 -NCGC00256841-01 196719373 tox21-ror-cho-viability-p1 set2 4 2.62553715 -1.3294901 1.56890104 1.19070693 0.12542241 4.39057143 2.69693862 7.45269191 4.48102577 3.91522234 8.59143262 5.23312894 6.16453819 0.85061375 0.65885745 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 116296-31-2 4420067 144212935 A A 3-Thiatetradecanoic acid O=C(O)CSCCCCCCCCCCC Tox21_302618 -NCGC00256425-01 196719380 tox21-ror-cho-viability-p1 set2 4 -1.93010849 -1.42944448 2.68822424 -3.76526815 -3.92946392 2.39646468 -2.7236154 -2.43426379 0.39181517 -1.71113916 -2.34246734 2.78461131 1.21351291 4.34053092 4.82936559 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 91-23-6 7048 144213298 A A 1-Methoxy-2-nitrobenzene COc1ccccc1[N+]([O-])=O Tox21_302981 -NCGC00256927-01 196719385 tox21-ror-cho-viability-p1 set2 4 -0.2121238 0.25177765 -0.06272893 -0.89186594 0.60729908 4.69121567 1.11014472 0.93003929 -0.26304538 1.19736276 1.10764349 -1.47795849 -3.5225449 -0.53940492 5.78969809 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 1738-25-6 15615 144213349 Fns 3-Dimethylaminopropionitrile N#CCCN(C)C Tox21_303032 -NCGC00142623-04 196717625 tox21-ror-cho-viability-p1 set2 4 3.69730091 3.15704288 0.11606583 1.58917629 3.01367146 4.634081 4.57519218 3.82747106 1.83558208 3.34462911 0.08657616 -2.80511858 0.37608114 -2.57649984 -0.32496993 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71-63-6 441207 170464713 F Digitoxin O=C1C=C(CO1)[C@H]8CC[C@@]7(O)[C@]8(C)CC[C@H]3[C@H]7CC[C@@H]2C[C@H](CC[C@@]23C)O[C@@H]6O[C@H](C)[C@@H](O[C@H]5C[C@H](O)[C@H](O[C@H]4C[C@H](O)[C@H](O)[C@@H](C)O4)[C@@H](C)O5)[C@@H](O)C6 Tox21_111659_1 -NCGC00016672-04 196716812 tox21-ror-cho-viability-p1 set2 2.2 29.8492948118 60.3991094854 2.5120742489 62.9111837343 4.9549173134 0.9619138463 0.0000018647 0.72976498 3.05488191 1.88341257 0.29488422 2.71798256 9.1828944 4.48865183 7.71334168 -0.24622624 0.44060118 0.12911469 0.15096862 1.73047278 10.35493557 56.67831639 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6170-42-9 80311 170466305 A Chloropyramine hydrochloride Cl.Clc1ccc(cc1)CN(CCN(C)C)c2ccccn2 Tox21_113349_1 -NCGC00253635-01 196716813 tox21-ror-cho-viability-p1 set2 4 2.62646082 2.48682718 3.39242458 1.98242941 6.51625092 1.11297189 5.84820971 5.46704474 -0.51005326 0.41616565 3.82170222 1.52578908 0.14030936 3.82922662 -1.45942243 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21732-17-2 543207 170466698 A A 1H-Tetrazol-1-acetic acid O=C(O)Cn1cnnn1 Tox21_113762 -NCGC00091830-04 196717218 tox21-ror-cho-viability-p1 set2 4 4.12203669 2.21318776 4.27433142 4.25848955 0.2364646 0.57677319 0.00318051 0.70292603 -0.51066513 4.2517558 -0.13711752 -1.86400153 2.00444456 1.02226239 -2.00271703 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00024357-07 196717627 tox21-ror-cho-viability-p1 set2 4 -5.6274642 -0.50649108 -5.30204805 -1.39819072 1.67291988 -3.24045447 -3.17865899 0.74804595 -1.59293695 -3.31797659 -5.15471436 -2.66237898 -4.93536821 -4.72814141 1.17231494 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 114-49-8 6603108 170464830 A Scopolamine hydrobromide Br.OC[C@H](c1ccccc1)C(=O)O[C@H]2C[C@@H]3N(C)[C@H](C2)[C@H]4O[C@@H]34 Tox21_110035_1 -NCGC00013679-06 196717640 tox21-ror-cho-viability-p1 set2 -3 29.8492948118 -44.9805493042 2.5 -42.4805493042 3.2974983358 0.9653493774 0.0000010997 2.48055092 0.39494175 3.19874687 2.33054025 5.82603927 0.19589067 5.53321489 2.50219612 2.03859902 3.74825001 2.19971802 0.28038915 -1.28467177 -8.18007006 -33.71472167 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97-24-5 7329 170466421 A Fenticlor Oc2ccc(Cl)cc2Sc1cc(Cl)ccc1O Tox21_110031_1 -NCGC00016026-10 196718042 tox21-ror-cho-viability-p1 set2 4 0.0668242473 4.82668164 -5.32668164 -0.5 4.9549173134 0.5067423663 0.1749063188 -6.57779157 -6.55409358 -1.35888813 -3.83877381 -4.06624151 -9.0222347 -1.416753 -0.55147692 0.59437731 -0.62078336 0.49220463 -4.64475255 0.70497305 -2.98033299 1.35575144 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63074-08-8 44383 170465073 A Terazosin hydrochloride Cl.O=C(N1CCN(CC1)c3nc2cc(OC)c(OC)cc2c(N)n3)C4CCCO4 Tox21_110674_1 -NCGC00095043-07 196718047 tox21-ror-cho-viability-p1 set2 4 -7.00657864 -0.87796343 -0.84633645 -4.65831416 -4.55903878 -2.58923017 -0.01282958 -0.94508109 -0.50251172 -4.75070867 1.22732802 -3.64185793 -3.30756453 -4.41799216 -0.52639996 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 319-89-1 5424 170466433 Bc Tetroquinone OC=1C(=O)C(O)=C(O)C(=O)C=1O Tox21_111400_1 -NCGC00247693-01 196718050 tox21-ror-cho-viability-p1 set2 4 0.9681209783 -4.543176488 0 -4.543176488 4.9549173134 0.3370733912 0.3339833707 0.61314898 0.90088784 -3.80661234 -3.0582728 2.46766371 0.07635656 -0.16731518 2.4306581 -0.36473494 -9.4872328 0.08244048 0.15673562 -10.86931374 -2.88804972 -5.88738089 1.2979999999E-9 2.902E-9 6.488E-9 1.4509999999E-8 3.244E-8 7.2539999999E-8 1.622E-7 3.627E-7 8.111E-7 0.000001814 0.0000040549999999 0.0000090679999999 0.00002028 0.00004534 0.0001014 1473-95-6 60196321 144206396 A A N-[1-(2-Hydroxy-2-phenylethyl)-4-piperidyl]-N-phenylpropanamide hydrochloride Cl.OC(CN1CCC(CC1)N(c2ccccc2)C(=O)CC)c3ccccc3 Tox21_112843 -NCGC00167522-02 196718059 tox21-ror-cho-viability-p1 set2 4 1.0590929458 9.1007345481 -10.75734778 -1.6566132319 0.9309999999 0.5810524547 0.1265732486 -7.65924007 -14.02682413 -13.64258609 -8.45932644 -9.14243079 -10.03091734 -7.66770983 -14.38112315 -8.05812535 -2.70175102 -9.08319223 -2.44509267 -2.41498014 -2.21384436 -10.26575328 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 32266-10-7 325003 170465755 Z Hexoprenaline sulfate Oc1ccc(cc1O)C(O)CNCCCCCCNCC(O)c2ccc(O)c(O)c2.O=S(=O)(O)O Tox21_112519_1 -NCGC00247675-01 196718065 tox21-ror-cho-viability-p1 set2 4 0.831985728 -6.819221324 3 -3.819221324 4.9549173134 0.6487960505 0.0773710725 2.30062667 3.44264169 2.60378232 3.23027122 -0.31517208 0.02412563 4.01451636 7.27653071 -0.62580406 -4.17638356 -0.95434173 -2.07798138 -3.08452203 -7.76601777 5.75394062 1.386E-9 3.0999999999E-9 6.9309999999E-9 1.55E-8 3.4649999999E-8 7.749E-8 1.733E-7 3.874E-7 8.6639999999E-7 0.000001937 0.0000043319999999 0.000009686 0.00002166 0.000048429999999 0.00010829999999 5688-80-2 60196310 144206376 A A 3,4,5-Trimethoxyamphetamine hydrochloride Cl.COc1c(cc(cc1OC)CC(C)C)OC Tox21_112823 -NCGC00253618-01 196716840 tox21-ror-cho-viability-p1 set2 4 0.75688099 0.28746749 0.7764315 1.48229079 2.81950976 4.20836962 1.30759651 1.01209918 1.40098773 -0.12248027 1.55375984 1.38723821 2.28339785 -1.21135405 1.76066242 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56177-80-1 92041 170466669 A A 2-Ethoxy-5-fluorouracil CCOC1=NC(=O)C(F)=CN1 Tox21_113748 -NCGC00257307-01 196726462 tox21-ror-cho-viability-p1 set3 4 0.0086349218 -14.3595770199 0 -14.3595770199 4.9549173134 0.387206564 0.2999085268 -0.03283603 -1.19325681 0.76728139 -2.40260106 0.21671205 1.24051135 -20.85937143 -16.45781537 -18.45910046 -27.3101506 -29.88298085 -0.21473461 -1.19611208 -1.36551731 9.20789619 1.1799999999E-10 2.638E-10 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.298E-8 7.374E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 563-47-3 11241 144213914 Fns 3-Chloro-2-methylpropene C=C(C)CCl Tox21_303609 -NCGC00256336-01 196726466 tox21-ror-cho-viability-p1 set3 4 -5.24618733 2.52747663 -3.56179518 -4.89379372 -6.04047066 2.14199177 -1.66735762 -5.04080692 -0.8427442 -20.92642959 -12.3480358 2.76566236 -5.91716977 -4.48992642 -3.016068 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5949999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004246 0.00009493 98-96-4 1046 144213088 A A Pyrazinamide NC(=O)c1cnccn1 Tox21_302771 -NCGC00168784-03 196726055 tox21-ror-cho-viability-p1 set3 4 0.003349146 19.316014912 -4.816014912 14.5 0.5999999999 0.657956236 0.070874186 1.49817716 -1.51334576 6.22264798 8.09479623 10.66052785 9.03115433 10.32441012 9.36487562 9.8878867 19.25566178 21.03411293 14.79832747 11.28915624 10.35414335 2.11783493 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122111-03-9 60749 170465129 A Gemcitabine Cl.NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)C2(F)F Tox21_112644_1 -NCGC00178369-05 196726063 tox21-ror-cho-viability-p1 set3 4 13.3331902297 21.280623228 1.719376772 23 1.0999999999 0.6197353855 0.0967342479 1.55835173 2.57345065 3.52034398 0.72362429 1.46497113 -0.22813713 1.72774686 0.95655121 3.23308872 11.71377666 -0.23385269 2.67493708 8.51683571 18.20566614 6.77456053 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23642-66-2 198015 170466546 A Benfluorex hydrochloride Cl.FC(F)(F)c2cccc(CC(C)NCCOC(=O)c1ccccc1)c2 Tox21_111343_1 -NCGC00256672-01 196726472 tox21-ror-cho-viability-p1 set3 4 -4.47422739 2.41826755 -16.84595631 1.94611244 0 0 -21.15409387 0 0 -1.99427824 0 -5.428244 -2.89509915 -5.11759272 -3.84090661 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-36-6 7649 144212955 A Fc Ethyl cinnamate O=C(C=Cc1ccccc1)OCC Tox21_302638 -NCGC00256425-01 196726484 tox21-ror-cho-viability-p1 set3 4 0.216899429 6.694337224 -0.694337224 6 4.9549173134 0.5190464842 0.1624500898 -2.24528102 0.4013319 -0.25340833 0.8924104 -1.72688843 0.51481177 -1.01091307 7.63150994 8.26881082 10.93368683 1.76745536 0.58984584 0.52683558 9.14256166 8.42455981 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 91-23-6 7048 144213298 A A 1-Methoxy-2-nitrobenzene COc1ccccc1[N+]([O-])=O Tox21_302981 -NCGC00257305-01 196726883 tox21-ror-cho-viability-p1 set3 4 2.4336516212 5.815121036 -3.815121036 2 2.7202212143 0.3424164395 0.3441924416 -0.34900867 0.49582865 -3.15617975 -6.06214378 -4.83001916 -2.94687193 -9.42926753 -5.16521476 -2.35437956 -1.41670418 -1.91431517 9.52743081 0.98254826 -2.47627236 -5.59658745 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 32809-16-8 36242 144213945 A A Procymidone Clc1cc(cc(Cl)c1)N2C(=O)C3(C)CC3(C)C2=O Tox21_303640 -NCGC00256347-01 196726882 tox21-ror-cho-viability-p1 set3 -1.1 24.3365162115 -65.7131742074 -2.7486448 -68.4618190074 4.9549173134 0.9732954764 2.501E-7 -3.43330152 -3.82015108 -2.16472373 -6.33333056 0.20612685 -0.0861475 -5.12346793 2.42584113 0.85020305 -12.19179089 -3.31058238 1.45691682 -15.15624098 -62.509885 -70.06060687 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 119-47-1 8398 144213240 A A 2,2'-Methylenebis(4-methyl-6-tert-butylphenol) CC(C)(C)c2cc(C)cc(Cc1cc(C)cc(c1O)C(C)(C)C)c2O Tox21_302923 -NCGC00256511-01 196726885 tox21-ror-cho-viability-p1 set3 -2.2 61.130564862 -56.2445026777 -1.495296019 -57.7397986967 2.1876167061 0.9567168012 0.0000038047 -3.33174407 -2.43092449 -3.65112502 1.21068845 -1.87976592 0.29826196 -1.31559624 0.42797159 0.25635191 -0.36885915 0.14760645 -5.5817835 -10.03149037 -15.14482159 -43.74227174 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 116-29-0 8305 144213083 A A Tetradifon Clc1cc(c(Cl)cc1Cl)S(=O)(=O)c2ccc(Cl)cc2 Tox21_302766 -NCGC00256891-01 196726890 tox21-ror-cho-viability-p1 set3 4 6.851987566 -12.600273108 -1 -13.600273108 1.21 0.8291538559 0.0040783969 -3.08675572 0.33731158 1.04879664 0.64050768 -2.6941287 -0.15851292 1.1040535 -5.22134963 -2.10792081 -3.28817383 -1.18687043 -10.52488643 -11.05324712 -11.23041585 -13.00022759 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.000018429999999 0.0000412 0.000092129999999 57646-30-7 42504 144212806 A A Furalaxyl O=C(N(C(C)C(=O)OC)c1c(C)cccc1C)c2ccco2 Tox21_302489 -NCGC00256572-01 196726895 tox21-ror-cho-viability-p1 set3 4 5.54949746 2.80160216 1.49131462 2.95365288 3.71593324 2.42695663 5.36604885 2.43368478 -0.10609598 4.7159606 2.87024069 5.56698352 1.2857577 3.27111073 6.48393246 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 110-12-3 8034 144213223 Fns 5-Methyl-2-hexanone CC(C)CCC(C)=O Tox21_302906 -NCGC00256954-01 196727300 tox21-ror-cho-viability-p1 set3 4 -4.65526822 1.39093543 -3.48047641 -2.23772188 -2.48401075 1.53940015 -10.66497913 -12.93403936 -1.88008056 -0.02173674 0 -0.63532632 1.75248882 -0.14160034 0.37146606 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 3926-62-3 23665759 144213461 F Sodium chloroacetate [Na+].[O-]C(=O)CCl Tox21_303144 -NCGC00255373-01 196701261 tox21-ror-cho-viability-p1 set1 4 1.73767151 1.12638835 0.52172683 1.983965 -0.16552391 0.22816744 1.12981419 0.61343702 -0.99682147 0.06205915 0.62978637 2.50961116 -0.67059953 2.88686804 3.47871059 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3734-33-6 19518 144211904 C C Denatonium benzoate O=C(Nc1c(C)cccc1C)C[N+](Cc2ccccc2)(CC)CC.[O-]C(=O)c1ccccc1 Tox21_301587 -NCGC00256172-01 196701267 tox21-ror-cho-viability-p1 set1 4 76.9588215421 11.8998171801 0.1001828199 12 4.9549173134 0.5604552486 0.1291052207 0.35949618 -0.92750555 4.05034779 0.10446483 -4.49984765 1.90171668 1.55683479 0.22130015 0.15484355 -0.60790637 1.48534736 -2.48024809 2.36498573 -0.64523857 9.28118803 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4205-91-8 20179 144211869 A A Clonidine hydrochloride Cl.Clc2cccc(Cl)c2\N=C1/NCCN1 Tox21_301552 -NCGC00255461-01 196701254 tox21-ror-cho-viability-p1 set1 4 0.28725026 0.18439179 -3.86434486 -9.474824 0.56579661 1.30201087 -4.69278878 0.05208271 -6.54334913 0.24724042 -1.75988031 -8.15688767 1.79632617 0.64510547 -6.17895194 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76674-21-0 91727 144211655 A A Flutriafol OC(Cn1cncn1)(c2ccccc2F)c3ccc(F)cc3 Tox21_301338 -NCGC00159417-06 196701259 tox21-ror-cho-viability-p1 set1 -2.1 55.7594848687 -75.5166832007 -2.819013548 -78.3356967487 2.4063783767 0.9523111712 0.0000064853 -0.38926945 -2.34311484 -13.55341033 -2.60787949 -4.04762946 -0.9389249 0.81460764 0.66552201 -0.80044539 -0.66809306 -1.89959648 -6.96163304 -9.62168802 -26.0814996 -62.37552784 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00257712-01 196701672 tox21-ror-cho-viability-p1 set1 4 4.28822923 -1.606193 0.8458571 2.92790016 5.40534353 -0.97669403 5.74027657 -1.0635193 7.53039689 8.95271696 2.27307086 1.09302146 5.97998496 0.73982761 -0.97289582 1.216E-9 2.718E-9 6.078E-9 1.359E-8 3.0389999999E-8 6.795E-8 1.519E-7 3.3979999999E-7 7.597E-7 0.000001699 0.000003799 0.0000084939999999 0.000018989999999 0.00004247 0.000094959999999 87-59-2 6893 144207356 A Ac 2,3-Dimethylaniline Cc1cccc(N)c1C Tox21_200158 -NCGC00257833-01 196701674 tox21-ror-cho-viability-p1 set1 4 4.7817967279 8.6243623079 -3.1243623079 5.5 2.3331733767 0.5086290592 0.1712743033 -7.72411699 0.43223067 -5.71825458 -2.12279532 -3.70048471 -5.25728525 0.5744726 0.55217474 -0.99404878 -9.68696859 0.76865985 6.4160822 -0.84857049 6.77245643 7.32033321 1.165E-9 2.606E-9 5.8259999999E-9 1.303E-8 2.9129999999E-8 6.514E-8 1.457E-7 3.2569999999E-7 7.2829999999E-7 0.000001629 0.000003641 0.000008143 0.00001821 0.00004071 0.00009104 108-70-3 7950 144207477 AC B 1,3,5-Trichlorobenzene Clc1cc(Cl)cc(Cl)c1 Tox21_200279 -NCGC00258387-01 196701675 tox21-ror-cho-viability-p1 set1 4 1.26276188 0.28491006 0.95109003 3.67713283 1.7871933 0.03736144 1.00301526 6.57142493 0.57845181 0.96765744 2.501099 0.09936266 6.24718696 4.49452798 0.16926755 1.1679999999E-9 2.612E-9 5.8409999999E-9 1.3059999999E-8 2.92E-8 6.53E-8 1.4599999999E-7 3.265E-7 7.3009999999E-7 0.0000016319999999 0.0000036499999999 0.000008162 0.00001825 0.00004081 0.00009126 108-43-0 7933 144208031 A A 3-Chlorophenol Oc1cc(Cl)ccc1 Tox21_200833 -NCGC00258622-01 196702076 tox21-ror-cho-viability-p1 set1 4 -0.46448354 2.8340116 5.59944085 -0.38664782 -1.49563659 3.1746051 3.30948144 2.52731455 12.34328205 1.55340464 -10.03197767 0.98727441 4.59454277 2.55482094 4.41367309 1.167E-9 2.608E-9 5.8329999999E-9 1.304E-8 2.9159999999E-8 6.521E-8 1.458E-7 3.26E-7 7.2909999999E-7 0.0000016299999999 0.000003645 0.0000081509999999 0.00001823 0.000040759999999 0.000091129999999 96-98-0 7319 144208267 A A 4-Methyl-3-nitrobenzoic acid Cc1ccc(cc1[N+](=O)[O-])C(=O)O Tox21_201069 -NCGC00163771-03 196702912 tox21-ror-cho-viability-p1 set1 4 0.32984044 3.88100313 -0.38083589 -1.52047423 2.92742268 0.40011843 6.90562493 -0.25117542 -0.12971757 -3.2698049 2.52788812 2.00719867 3.78079824 0.02454109 7.03936163 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00357052-01 196702915 tox21-ror-cho-viability-p1 set1 4 -7.10323572 -5.96052727 -1.64065926 -16.18745426 -16.45039905 -11.47717865 -8.45307591 -10.50303461 -7.03869212 0.58750651 -15.05123889 -19.20321742 -8.33861896 -13.82233356 -27.2420255 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3120-74-9 18391 251919894 A 3-Methyl-4-(methylthio)phenol Cc1cc(O)ccc1SC Tox21_303747 -NCGC00357103-01 196702923 tox21-ror-cho-viability-p1 set1 4 1.1577365042 7.6080300159 -1.6080300159 6 4.9549173134 0.4148730333 0.258166484 -3.35854903 -3.39964316 -2.84295342 -1.78593367 -1.17961785 0.60074461 0.08068456 -3.11402622 -1.28209048 0.45575931 -0.45800465 10.68960558 3.34182025 -4.25669168 13.9790224 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 NOCAS_47218 23665763 251919727 Sodium bisulfite, mixture of NaHSO3 and Na2S2O5 [Na+].[O-]S(=O)O Tox21_303826 -NCGC00159417-06 196703325 tox21-ror-cho-viability-p1 set1 -2.2 55.7594848687 -77.8852034449 1.190387159 -76.6948162859 1.8579476909 0.9654373372 0.0000010811 3.64846639 4.99399486 2.36803124 4.57708774 0.13404597 0.49673565 -0.0714378 2.06638671 -0.12758305 -2.91489617 0.20108801 -5.4305625 -10.68181242 -21.75714122 -58.10213355 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00357178-01 196703327 tox21-ror-cho-viability-p1 set1 4 -0.63256374 1.028075 -1.3062024 -3.43917952 -5.41100613 -3.92903523 1.80547082 -4.69228482 1.97211391 -4.13023857 -0.93246323 -2.42269041 -2.90738696 -1.8146747 -8.16914421 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2479-46-1 17201 251919891 1,3-Bis(4-aminophenoxy)benzene Nc1ccc(cc1)Oc3cccc(Oc2ccc(N)cc2)c3 Tox21_303941 -NCGC00254925-01 196720650 tox21-ror-cho-viability-p1 set3 4 -11.31809611 -10.04810863 -4.59194878 -0.4837672 -11.17197529 -5.89560973 -1.26572186 -4.32512282 -3.62158923 -2.97212989 -2.64885658 -0.39932789 -2.14083314 -7.26237421 -8.68853377 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103577-45-3 3883 144211340 D D Lansoprazole FC(F)(F)COc3ccnc(CS(=O)c1nc2ccccc2n1)c3C Tox21_301023 -NCGC00259995-01 196721057 tox21-ror-cho-viability-p1 set3 -2.1 49.1509036116 -80.7388928186 -5.431196459 -86.1700892776 1.8851180601 0.9779516422 8.34E-8 -7.39915829 -5.02335006 -8.05534893 -2.04694931 -3.88899799 -4.11904641 -6.51123635 -3.5967449 -6.24150175 -6.51525492 -6.9688106 -10.3815483 -9.74750319 -43.15797659 -66.79552218 1.1919999999E-9 2.6649999999E-9 5.96E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.332E-7 7.45E-7 0.0000016659999999 0.000003725 0.000008329 0.00001862 0.000041649999999 0.00009312 145-73-3 3225 144209644 A A Endothal OC(=O)C2C(C1CCC2O1)C(=O)O Tox21_202446 -NCGC00253949-01 196720646 tox21-ror-cho-viability-p1 set3 -1.1 27.3060203028 -68.472542421 -9.114770986 -77.587313407 3.9899729863 0.966540061 8.999E-7 -15.44075115 -19.56206015 -10.21251142 -8.8008671 -10.61068818 -10.24522629 -2.10190291 -6.38162102 -7.92080467 -5.59864308 -7.50499706 -9.85773141 -18.94848617 -65.59840384 -78.02677785 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 155990-20-8 9909677 144210553 A A SR271425 CCN(CC)CCNc1ccc(CNC=O)c2Sc3ccc(OC)cc3C(=O)c12 Tox21_300233 -NCGC00259889-01 196721052 tox21-ror-cho-viability-p1 set3 4 0.0344461725 -5.0228295719 -0.5 -5.5228295719 4.9549173134 0.4087178556 0.2822685197 -6.83195536 -0.10371617 0.03633502 4.96186271 -2.26866894 -5.54234333 -7.93569131 -5.68200474 -7.86280951 -3.11777791 -7.01550948 -6.80848218 -5.2795119 -1.26966424 -0.41483183 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004128 0.00009231 111-96-6 8150 144209538 A Ac Bis(2-methoxyethyl) ether COCCOCCOC Tox21_202340 -NCGC00259679-01 196721064 tox21-ror-cho-viability-p1 set3 4 -4.0399325 9.34817514 4.0302497 6.01269035 -0.12713618 1.03307881 4.22332121 -0.40032162 1.86117895 4.95691786 -0.17074981 -0.20877176 -5.07819634 1.95954094 3.06285498 1.158E-9 2.589E-9 5.789E-9 1.2949999999E-8 2.8949999999E-8 6.473E-8 1.447E-7 3.2359999999E-7 7.2359999999E-7 0.000001618 0.000003618 0.000008091 0.000018089999999 0.00004045 0.000090459999999 3883-43-0 5284382 144209328 D 2,3-Dichloro-p-dioxane Cl[C@H]1OCCO[C@@H]1Cl Tox21_202130 -NCGC00258858-01 196721457 tox21-ror-cho-viability-p1 set3 4 21.6899429044 7.3799224279 -5.8799224279 1.5 4.9549173134 0.356520787 0.3149460297 -5.9284221 -8.18870582 -7.28208183 1.65172662 -9.94216595 -6.23021242 -10.73326869 -7.28297116 -8.69360462 0.10411529 -1.8727085 -8.05073917 -3.25301953 1.03915084 1.50182262 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041219999999 0.00009218 115-95-7 8294 144208504 A Ac Linalyl acetate O=C(C)OC(C)(CC\C=C(\C)C)C=C Tox21_201306 -NCGC00259918-01 196721459 tox21-ror-cho-viability-p1 set3 4 -5.6637071 1.9762908 -9.37014177 -7.89757666 -5.68035686 -3.55352864 -5.47908346 -2.35890453 -5.15432113 -2.76743601 -7.09296721 -3.71864542 -2.64865861 -6.26294832 -0.4027987 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004125 0.00009223 1571-08-0 15294 144209567 A A Methyl 4-formylbenzoate COC(=O)c1ccc(cc1)C=O Tox21_202369 -NCGC00258814-01 196721463 tox21-ror-cho-viability-p1 set3 -2.4 69.7771103933 -37.083672564 -2.5 -39.583672564 1.0999999999 0.6995738936 0.038284389 0.02852242 -4.59626983 -2.3757538 3.08831666 -4.46251268 -7.21943351 -0.77298398 -2.25822089 -4.68036709 -4.07035234 1.32693823 -10.08236609 -14.78619118 -6.6376367 -29.65306047 1.197E-9 2.676E-9 5.983E-9 1.338E-8 2.9909999999E-8 6.689E-8 1.496E-7 3.344E-7 7.478E-7 0.0000016719999999 0.0000037389999999 0.000008361 0.000018699999999 0.00004181 0.00009348 57-91-0 68570 144208460 A A 17alpha-Estradiol Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@H](O)CC[C@@H]12)c4cc3 Tox21_201262 -NCGC00259193-01 196721468 tox21-ror-cho-viability-p1 set3 4 6.0013278633 28.00318828 -12.00318828 16 0.2 0.5349622841 0.148123156 -0.51466744 -16.2526569 -11.81295167 -2.90216881 -0.93927941 -1.95527977 -2.16509322 0.29924048 -2.3319069 -0.49861664 -0.38253041 -0.97169935 -0.25829494 7.2484056 10.015795 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 55290-64-7 41385 144208842 A A Dimethipin O=S1(=O)CCS(=O)(=O)C(C)=C1C Tox21_201644 -NCGC00259123-01 196721470 tox21-ror-cho-viability-p1 set3 4 27.3893479715 12.269233908 -9.269233908 3 4.9549173134 0.3887333172 0.28271576 -6.59832717 -7.34326609 -9.53939129 -3.85275426 -4.87906649 -17.14167653 -9.68140596 -18.97436159 -8.39875309 -0.02499045 -10.05399575 -15.37678869 -9.15476448 4.53230698 0.20966844 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 82558-50-7 73672 144208772 A A Isoxaben CCC(C)(CC)c2cc(NC(=O)c1c(OC)cccc1OC)on2 Tox21_201574 -NCGC00258991-01 196721856 tox21-ror-cho-viability-p1 set3 4 30.4821390594 9.07708592 -3.07708592 6 4.9549173134 0.4854050362 0.1925614105 -7.1475716 -3.55366562 0.1128557 5.13366724 -3.90860342 -5.31298424 -3.96027743 -1.78079145 -4.63857848 -0.66463694 -6.16193987 -3.8887617 -6.52173828 5.60382963 5.74112094 1.175E-9 2.628E-9 5.877E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.346E-7 0.000001643 0.000003673 0.0000082129999999 0.000018359999999 0.00004107 0.000091819999999 102-50-1 7610 144208638 A A 4-Methoxy-2-methylaniline Nc1ccc(OC)cc1C Tox21_201440 -NCGC00259284-01 196721858 tox21-ror-cho-viability-p1 set3 4 29.9536858942 10.658431064 -3.658431064 7 4.9549173134 0.4248018335 0.2663453283 -6.12533891 -3.41854007 -1.06692674 5.16071944 -3.61641204 -3.50578373 -6.69015914 -4.78012573 -7.21535922 -1.4436771 -5.86229169 -2.42365115 -5.65426503 7.28971189 1.43598937 1.158E-9 2.589E-9 5.789E-9 1.2939999999E-8 2.894E-8 6.472E-8 1.447E-7 3.2359999999E-7 7.2359999999E-7 0.000001618 0.000003618 0.0000080899999999 0.000018089999999 0.00004045 0.00009045 110-19-0 8038 144208933 FNS Isobutyl acetate CC(=O)OCC(C)C Tox21_201735 -NCGC00257452-01 196719347 tox21-ror-cho-viability-p1 set2 4 -0.46939821 1.79001558 0.03091912 2.00724747 2.17027742 2.90004965 0.26277338 4.23374292 6.02617273 4.71666255 2.9319113 -2.05926775 0.54604508 2.40203644 0.82591933 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-17-1 61056 144213765 A A 2,6,8-Trimethyl-4-nonanol CC(C)CC(C)CC(O)CC(C)C Tox21_303455 -NCGC00257508-01 196719356 tox21-ror-cho-viability-p1 set2 4 0.24429851 0.08051205 0.59716743 1.55103771 0.09924203 4.0255946 0.7003843 1.62347208 -0.32211296 -0.43000161 2.17361402 1.83952593 0.21871072 0.59328547 1.0528158 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 26472-00-4 3437714 144213804 F F Methylcyclopentadiene dimer CC=2CC3C1C=C(C)C(C1)C3C=2 Tox21_303496 -NCGC00254483-01 196719764 tox21-ror-cho-viability-p1 set3 4 0.8626141268 88.43620716 -71.43620716 17 0.4999999999 0.95372697 0.0000054888 -74.937458 -69.93956223 -60.9080197 -56.17471328 -52.2546705 -52.97391621 -47.60727864 -38.42628709 -32.33474626 -32.83135247 -1.48108136 -1.37179372 10.21891572 4.68054905 2.22600314 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 29590-42-9 165746 144210717 D Isooctyl acrylate CC(C)CCCCCOC(=O)C=C Tox21_300399 -NCGC00254567-01 196719765 tox21-ror-cho-viability-p1 set3 4 17.2289340586 -14.92588958 -2 -16.92588958 3.9899729863 0.4980930233 0.1971696597 -8.6487128 -9.09593172 -2.34297936 -2.38626163 -5.42561934 -2.50123316 -0.37634905 0.87646695 0.7113623 -7.29080779 4.04015434 1.96264051 -11.77448483 -15.77157465 -8.37936855 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 180-84-7 67437 144210976 A F 1,7-Dioxaspiro[5.5]undecane C2COC1(CCCCO1)CC2 Tox21_300659 -NCGC00255090-01 196719773 tox21-ror-cho-viability-p1 set3 4 11.93842809 6.21383371 -2.64250704 8.31553085 9.92819178 5.85804526 3.05997533 12.18883026 14.90633916 6.30265534 11.66481761 6.54330435 4.67313155 1.9673162 6.37937309 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85264-33-1 96393 144211509 A D (3,5-Dimethyl-1H-pyrazol-1-yl)methanol Cc1cc(C)nn1CO Tox21_301192 -NCGC00254566-01 196719775 tox21-ror-cho-viability-p1 set3 4 -1.64855607 -6.11799493 3.63960549 3.55438907 1.72541122 -0.13740595 5.4047001 -11.35266707 5.30343432 -9.89153384 -9.3222189 -9.79766196 -11.28648743 5.02574475 -0.81247985 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55-38-9 3346 144210975 D Fenthion Cc1cc(ccc1SC)OP(=S)(OC)OC Tox21_300658 -NCGC00091663-03 196719780 tox21-ror-cho-viability-p1 set3 4 0.0076958822 14.098574204 -14.598574204 -0.5 0.6 0.8312961104 0.0038890341 -11.33214517 -10.64796021 -7.76502144 -3.41410712 -6.70896062 -2.99181682 -4.20326917 -3.07725227 0.96874144 -3.60174578 0.32428877 -0.29365516 0.35355512 -2.43263427 -0.34367342 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00255088-01 196720175 tox21-ror-cho-viability-p1 set3 4 12.54506302 8.62823122 10.61582053 7.09217053 11.98742588 10.96277078 11.73444162 2.40681525 19.4380026 18.07560894 21.20240817 8.20153317 24.4282504 14.52079545 4.86812156 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 127-63-9 31386 144211507 Ac Ac Diphenylsulfone O=S(=O)(c1ccccc1)c2ccccc2 Tox21_301190 -NCGC00254745-01 196720180 tox21-ror-cho-viability-p1 set3 4 11.72429203 10.14190284 -4.81295684 0.29234043 -1.16490894 8.53544337 0.45483057 -5.10062049 -0.53813541 6.36558313 8.79272831 1.09913037 7.15058719 4.93495498 6.28210191 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 122-99-6 31236 144211159 A A 2-Phenoxyethanol OCCOc1ccccc1 Tox21_300842 -NCGC00254447-01 196720185 tox21-ror-cho-viability-p1 set3 -2.3 7.6958821542 -109.1841617959 13.398838319 -95.7853234769 0.6 0.8859147637 0.0875259802 0.1683265 10.79364147 13.04833108 13.94024848 16.00428743 2.38307567 13.43331396 12.38527168 -5.13496487 -40.62387639 -37.91060695 -32.55640239 -43.89456384 -9.14424074 -81.97247895 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-77-8 3117 144210721 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_300403 -NCGC00258246-01 196715610 tox21-ror-cho-viability-p1 set2 4 -2.35524602 -2.193067 -13.13448382 -10.04444192 -0.50126742 -0.1695666 -12.35515645 -1.64689593 -2.92548661 -3.38639682 -10.69414035 -2.49394649 -11.04953931 -10.78857856 -9.62225374 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.476E-7 3.3009999999E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008253 0.00001846 0.00004127 0.000092279999999 95-84-1 7264 144207890 A A 2-Amino-4-methylphenol Cc1ccc(O)c(N)c1 Tox21_200692 -NCGC00254765-01 196715187 tox21-ror-cho-viability-p1 set2 4 -0.0050806 -0.58219243 -0.06651685 0.5142849 1.41676202 0.0843611 2.94772706 0.80601567 -0.54692116 2.39289455 0.9026555 5.43169256 3.36776662 0.99724325 0.48626051 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 72490-01-8 51605 144211526 A A Fenoxycarb O=C(OCC)NCCOc1ccc(cc1)Oc2ccccc2 Tox21_301209 -NCGC00254513-01 196715190 tox21-ror-cho-viability-p1 set2 4 0.32792429 0.1203676 -0.96360831 0.63300248 2.05243161 -0.85599742 0.80018924 0.56903022 -1.69352742 0.43040176 0.99568809 -1.09802005 1.53682911 -1.63802653 -6.51533198 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 214535-77-0 10407399 144210760 A A CP-457677 CC(C)(O)c1ccc(cc1)CNC(=O)c3cccnc3Oc2ccc(F)cc2 Tox21_300442 -NCGC00255021-01 196715201 tox21-ror-cho-viability-p1 set2 4 1.02205358 -0.19062978 0.70463139 -0.68317308 0.55294814 0.05640402 0.53886258 -0.78743036 0.3046065 0.66269652 0.05351853 2.99592007 4.42119113 2.54695668 1.38993192 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-48-0 7655 144211439 A A 2-Phenylethyl 2-methylpropanoate CC(C)C(=O)OCCc1ccccc1 Tox21_301122 -NCGC00255424-01 196728139 tox21-ror-cho-viability-p1 set3 4 0.0068589622 -4.8895330759 2.5 -2.3895330759 4.9549173134 0.3881145059 0.3038819885 0.1971008 4.96883913 0.71387438 -3.66887663 -1.97407161 -2.09233344 0.35078234 0.19186374 -4.53468643 0.11749797 -0.39862962 -7.40794423 -3.16193808 -2.00406174 5.23756271 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 540-18-1 10890 144212330 F Fns Pentyl butyrate O=C(CCC)OCCCCC Tox21_302013 -NCGC00256733-01 196727734 tox21-ror-cho-viability-p1 set3 4 -6.1137856 -4.9970351 0.6093544 -2.51410861 0.59923636 -0.37541962 -2.92328333 0.2952869 1.72248068 0.32397931 2.9567712 0.03122433 0.53039608 0.10593496 0.24847526 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47129 70917 144213024 Z F Methyl geranate O=C(C=C(C)CC\C=C(/C)C)OC Tox21_302707 -NCGC00256263-01 196728136 tox21-ror-cho-viability-p1 set3 4 0.48386662 6.54944715 6.02360717 1.61459921 -1.04831381 0.73950046 12.62079872 11.62760878 2.64172958 3.84344658 3.00619083 -2.31963041 3.689893 0.72673475 -5.93668061 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2082-81-7 16387 144211998 Z Z Butane-1,4-diyl bis(2-methylprop-2-enoate) O=C(OCCCCOC(=O)C(=C)C)C(=C)C Tox21_301681 -NCGC00255697-01 196728138 tox21-ror-cho-viability-p1 set3 4 -4.50257393 7.80493054 5.11326383 0.63017604 6.27267034 1.55142646 7.09898827 8.45177733 -7.88920954 9.9920408 18.26912215 19.40787649 1.16985319 9.76489252 4.65461991 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5300-03-8 449171 144212512 Ac Fc 9-cis Retinoic acid CC=1CCCC(C)(C)C=1/C=C/C(/C)=C\C=C\C(\C)=C\C(=O)O Tox21_302195 -NCGC00256184-01 196728143 tox21-ror-cho-viability-p1 set3 4 27.3060203028 -16.66010734 6.5 -10.16010734 0.4 0.5272332837 0.1552230963 3.23168301 9.19212305 8.54208904 8.86286194 6.36639691 -0.35022104 5.64911121 -0.80511058 0.52476443 8.63341049 0.47106905 1.54624273 0.30203971 -1.70440256 -6.80008945 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 64-85-7 6166 144212719 A A 21-Hydroxyprogesterone OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_302402 -NCGC00244580-01 196728145 tox21-ror-cho-viability-p1 set3 -3 61.130564862 -46.3052526025 0.6794159859 -45.6258366166 4.9549173134 0.7848199721 0.0107426347 0.36084941 -0.6835649 -3.4839409 -13.09439927 -7.96864532 2.17793569 3.41100979 7.90612444 1.66000182 8.02660473 3.41629805 4.77405396 1.93768918 -5.29962898 -40.17923541 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00259989-01 196705824 tox21-ror-cho-viability-p1 set1 4 6.24855351 3.72998189 4.70565426 5.15574951 2.48033682 -2.96891637 0.2776966 0.14353697 1.22139279 11.55274778 0.77671695 1.02801213 3.19486919 5.64877838 4.92642222 1.2169999999E-9 2.722E-9 6.087E-9 1.361E-8 3.0429999999E-8 6.8049999999E-8 1.522E-7 3.403E-7 7.608E-7 0.0000017009999999 0.0000038039999999 0.000008507 0.000019019999999 0.00004253 0.000095109999999 112-27-6 8172 144209638 A Ac Triethylene glycol OCCOCCOCCO Tox21_202440 -NCGC00259577-01 196705834 tox21-ror-cho-viability-p1 set1 4 0.78111046 0.58425168 0.66343872 -0.52357133 1.80206011 0.6368385 -1.18058679 2.30486244 -0.56638044 8.90708079 0.12032556 1.42197272 0.76088791 -0.52474912 2.53194847 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.00000369 0.000008252 0.000018449999999 0.000041259999999 0.00009226 13593-03-8 26124 144209226 FNS Quinalphos CCOP(=S)(OCC)Oc1cnc2ccccc2n1 Tox21_202028 -NCGC00258914-01 196705839 tox21-ror-cho-viability-p1 set1 4 0.0235467117 6.58606106 -5.08606106 1.5 4.9549173134 0.4809002002 0.1967614008 -10.07171755 0.57099713 -3.61897484 -7.22651035 -0.27408621 0.38219936 1.52129462 0.17611816 6.61826933 -0.3299666 -0.41589324 4.23874944 -3.07849051 3.14850114 3.01639713 1.148E-9 2.567E-9 5.739E-9 1.2829999999E-8 2.87E-8 6.417E-8 1.4349999999E-7 3.2079999999E-7 7.174E-7 0.000001604 0.000003587 0.000008021 0.00001794 0.0000401 0.00008968 105-53-3 7761 144208560 A A Diethyl propanedioate O=C(CC(=O)OCC)OCC Tox21_201362 -NCGC00259091-01 196705841 tox21-ror-cho-viability-p1 set1 4 -5.62271138 -2.92318536 1.72358005 -1.52348219 -5.00084403 1.14465323 -2.01611066 -3.03329716 -6.82733903 0 -3.98505418 -0.74739996 3.28857676 -1.23817833 2.56847598 1.1919999999E-9 2.6659999999E-9 5.9609999999E-9 1.333E-8 2.981E-8 6.6649999999E-8 1.49E-7 3.332E-7 7.451E-7 0.0000016659999999 0.000003726 0.0000083309999999 0.00001863 0.000041649999999 0.000093139999999 7659-86-1 24309 144208739 A Ac 2-Ethylhexyl sulfanylacetate CCC(CCCC)COC(=O)CS Tox21_201541 -NCGC00258153-01 196702104 tox21-ror-cho-viability-p1 set1 4 30.5444110439 -14.51931084 0 -14.51931084 0.7999999999 0.8063090597 0.0070767812 -2.02156758 0.43088659 1.08032966 -0.28465326 -1.39711767 1.92373343 0.35665744 -2.02035329 0.75991265 -1.75808433 -1.69640392 -6.99846572 -4.14825245 -6.0739219 -12.0994257 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.000091989999999 827027-25-8 53260965 144207797 FNS Choline bis(trifluoromethylsulfonyl)imde FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C[N+](C)(C)CCO Tox21_200599 -NCGC00256047-01 196701286 tox21-ror-cho-viability-p1 set1 4 -0.16392702 -1.65367098 -5.96407724 -6.20164556 -1.80084433 2.49711167 0.43026744 -2.91110944 2.59612167 3.78087151 0.91915509 3.15949513 -1.09883047 -4.61400814 -2.12861305 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-16-8 66571 144211769 A A 4-(2,5-Diethoxy-4-nitrophenyl)morpholine [O-][N+](=O)c1cc(OCC)c(cc1OCC)N2CCOCC2 Tox21_301452 -NCGC00256010-01 196701292 tox21-ror-cho-viability-p1 set1 -2.2 16.5402536953 -65.5065603446 -2.331664757 -67.8382251016 1.21 0.9904899649 6E-10 -1.30823582 -1.17895246 0.50853241 -5.56071797 -1.01189137 -1.78025631 -2.8120319 -3.6339011 -3.90874189 -6.58239424 -5.16790823 -18.947157 -30.38855438 -46.73441893 -57.80811516 8.553E-10 1.913E-9 4.276E-9 9.563E-9 2.138E-8 4.7809999999E-8 1.0689999999E-7 2.391E-7 5.3459999999E-7 0.000001195 0.000002673 0.000005977 0.000013359999999 0.00002988 0.000066819999999 62625-32-5 6024631 144211753 F Bromocresol green sodium salt [Na+].CC=1C(\C=C(Br)C(=O)C=1Br)=C(/c2cc(Br)c(O)c(Br)c2C)c3ccccc3S([O-])(=O)=O Tox21_301436 -NCGC00258500-01 196701692 tox21-ror-cho-viability-p1 set1 4 23.5221005164 9.8029312399 -7.8029312399 2 0.4 0.3612161424 0.3120808906 -8.72125552 -3.61823785 -10.2524427 -7.59576109 -7.81519097 -4.30320005 -8.62555887 -8.95006181 -0.72648233 -6.71962651 -2.08145773 -4.68319347 -7.32007336 -2.09371969 0.29740813 1.1469999999E-9 2.5649999999E-9 5.735E-9 1.282E-8 2.868E-8 6.412E-8 1.434E-7 3.206E-7 7.169E-7 0.000001603 0.000003585 0.000008015 0.00001792 0.000040079999999 0.000089609999999 104-85-8 7724 144208145 A A 4-Methylbenzonitrile N#Cc1ccc(C)cc1 Tox21_200947 -NCGC00258317-01 196702113 tox21-ror-cho-viability-p1 set1 4 5.4261124041 -6.9749189079 2.5 -4.4749189079 4.9549173134 0.3180655321 0.3663855447 9.9722038 -3.950561 0.98509254 2.59120068 0.73890305 -3.43199908 2.77667917 1.38320852 4.54482295 5.05866996 3.89983393 -6.71829499 -7.47909909 1.08019124 0.57154638 1.1759999999E-9 2.63E-9 5.8799999999E-9 1.315E-8 2.94E-8 6.574E-8 1.4699999999E-7 3.2869999999E-7 7.35E-7 0.000001643 0.0000036749999999 0.000008217 0.00001837 0.00004109 0.00009187 105-16-8 61012 144207961 A A 2-(Diethylamino)ethyl methacrylate O=C(OCCN(CC)CC)C(=C)C Tox21_200763 -NCGC00257586-01 196702116 tox21-ror-cho-viability-p1 set1 4 -1.37801753 -2.25293858 1.93959759 -0.31365759 1.60189869 -6.9187522 -6.79960488 0.16436829 1.84986072 -8.72594722 -2.62078631 4.13224353 2.57292658 1.53281818 0.7628736 1.1389999999E-9 2.5469999999E-9 5.6959999999E-9 1.2739999999E-8 2.8479999999E-8 6.368E-8 1.424E-7 3.184E-7 7.1199999999E-7 0.000001592 0.00000356 0.00000796 0.0000178 0.0000398 0.000089 479-13-0 5281707 144207230 A A Coumestrol Oc2cc3OC(=O)c1c4ccc(O)cc4oc1c3cc2 Tox21_200032 -NCGC00258711-01 196702120 tox21-ror-cho-viability-p1 set1 -1.1 13.7689754884 -81.5616773769 4.7077673925 -76.8539099844 2.2526478767 0.9801967221 4.48E-8 8.84559327 1.90501129 1.73769744 8.63455009 2.5626742 4.59234838 7.03569238 2.9637764 10.56377121 0.98312175 -6.28376469 -8.19919807 -48.92807249 -75.28088094 -72.08877494 1.1859999999E-9 2.6519999999E-9 5.929E-9 1.326E-8 2.9649999999E-8 6.629E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008286 0.00001853 0.000041429999999 0.00009265 23541-50-6 62770 144208357 A A Daunomycin hydrochloride Cl.CC(=O)[C@@]4(O)C[C@H](O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1)c5c(O)c3C(=O)c2c(OC)cccc2C(=O)c3c(O)c5C4 Tox21_201159 -NCGC00257673-01 196702123 tox21-ror-cho-viability-p1 set1 4 68.0319836447 13.218507576 -1.718507576 11.5 4.5044702849 0.7029192636 0.0375557121 -2.80181491 -2.53095132 -4.76542298 -1.86802927 0.98197557 -4.06028566 -2.26051746 -1.1784254 -0.87475523 -0.10441661 -4.72030799 0.04171249 0.19030489 -0.69792157 8.63111823 1.172E-9 2.6199999999E-9 5.858E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.275E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008187 0.00001831 0.000040929999999 0.00009153 103-89-9 7684 144207317 A A N-Acetyl-p-toluidine O=C(C)Nc1ccc(C)cc1 Tox21_200119 -NCGC00259623-01 196722281 tox21-ror-cho-viability-p1 set3 4 -5.85910351 -5.68225595 -5.93069736 2.09108292 -4.43481972 -6.98862793 -3.0189125 -3.74692783 -3.22777776 -1.29533386 -5.92942134 -5.23159398 -4.07069639 -0.12269149 0.27095614 1.1859999999E-9 2.6519999999E-9 5.929E-9 1.326E-8 2.964E-8 6.629E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.0000037059999999 0.000008286 0.00001853 0.000041429999999 0.00009264 111-44-4 8115 144209272 D Bis(2-chloroethyl) ether ClCCOCCCl Tox21_202074 -NCGC00259291-01 196721883 tox21-ror-cho-viability-p1 set3 -3 66.1555956376 -69.596653089 -4.338509817 -73.935162906 4.9549173134 0.9723199426 3.073E-7 -6.1733162 -3.33445142 -4.37748523 2.32544507 -6.63901137 -3.95780702 -4.76733902 -4.49023695 -4.3687833 -1.3068417 -3.83557695 -4.52302809 -9.04957137 -9.00098993 -61.0596531 1.1449999999E-9 2.559E-9 5.7229999999E-9 1.28E-8 2.861E-8 6.398E-8 1.431E-7 3.199E-7 7.154E-7 0.0000016 0.000003577 0.000007998 0.000017879999999 0.00003999 0.00008942 111-30-8 3485 144208940 D Glutaraldehyde O=CCCCC=O Tox21_201742 -NCGC00244579-01 196721896 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -38.7340063479 -3 -41.7340063479 3.9899729863 0.9011609957 0.0003047266 -2.62491064 -8.76433774 -4.90716623 1.4604802 -1.28652364 -1.41477223 -1.68604078 -2.03752385 -1.93233034 -7.21204015 -4.54452372 -1.97893672 -1.43630221 -7.16047085 -32.69500529 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00259427-01 196721901 tox21-ror-cho-viability-p1 set3 4 -4.00421853 0.84354166 2.60427876 10.43084842 -2.88190615 -4.78775464 -6.79258004 -1.27883926 -7.29002929 2.12128993 -2.55201715 -2.44453306 -0.69739774 8.96849505 -0.24541582 1.16E-9 2.594E-9 5.8009999999E-9 1.297E-8 2.901E-8 6.486E-8 1.45E-7 3.2429999999E-7 7.252E-7 0.000001622 0.0000036259999999 0.000008108 0.000018129999999 0.000040539999999 0.00009065 88-85-7 6950 144209076 F Dinoseb O=[N+]([O-])c1cc(cc(C(C)CC)c1O)[N+]([O-])=O Tox21_201878 -NCGC00164168-02 196722282 tox21-ror-cho-viability-p1 set3 4 -6.78389562 -3.52253784 -4.29002782 -0.13983596 -3.17200785 -5.09028846 -4.84174505 -4.30916303 -5.94162346 -2.07377058 -4.06178421 -4.33481059 -3.96152914 -2.40888388 -12.58124097 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00258988-01 196722288 tox21-ror-cho-viability-p1 set3 4 27.3615673809 10.615524592 -4.115524592 6.5 4.9549173134 0.749946673 0.0197445337 -8.01293716 -5.56262527 -3.89756353 -0.00772551 -4.39293125 -4.6619691 -5.26762461 -3.03482613 -2.35221875 -3.35316352 -4.2494933 -4.45896253 -5.78998711 7.4854788 4.64794235 1.182E-9 2.6429999999E-9 5.91E-9 1.322E-8 2.955E-8 6.608E-8 1.4779999999E-7 3.304E-7 7.388E-7 0.0000016519999999 0.0000036939999999 0.0000082599999999 0.000018469999999 0.000041299999999 0.00009235 25498-49-1 25054 144208635 A A Tripropylene glycol monomethyl ether COC(C)COC(C)COC(C)CO Tox21_201437 -NCGC00163815-04 196722293 tox21-ror-cho-viability-p1 set3 -2.2 58.1036241395 -65.257448915 -2.863552965 -68.12100188 2.4063783767 0.916123171 0.0001319065 -5.17141157 -1.60521341 -3.77831017 -0.19782077 -6.49895566 -3.44728882 -10.58423744 0.21878068 -5.09981885 5.13477065 -6.58751434 4.44732504 -8.1942589 -24.76298007 -53.500759 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00258903-01 196722296 tox21-ror-cho-viability-p1 set3 4 2.4336516212 -14.0078521879 -0.5 -14.5078521879 1.92824246 0.8115573263 0.0062033794 -2.16263748 -1.01042108 -3.14687983 7.7356646 -1.40262409 -0.60133712 -4.2202825 -0.64967179 -0.99451298 -5.57078149 -8.71913067 -15.17637586 -15.2691075 -10.32231498 -16.25654349 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.00001844 0.000041219999999 0.00009218 99-57-0 3613389 144208549 A A 2-Amino-4-nitrophenol Nc1cc(ccc1O)[N+]([O-])=O Tox21_201351 -NCGC00263545-01 196717361 tox21-ror-cho-viability-p1 set2 4 0.1594937 -0.02276531 1.73697145 2.7197759 4.61460191 3.68022075 3.55678609 3.48673278 2.31667015 2.0336852 2.3294029 -0.25768757 -1.0168938 -0.28644586 -1.85942863 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 38398-32-2 6918305 170466317 F Ganaxolone CC(=O)[C@H]4CC[C@@H]3[C@]4(C)CC[C@H]1[C@H]3CC[C@H]2C[C@](C)(O)CC[C@]12C Tox21_112264_1 -NCGC00253692-01 196717352 tox21-ror-cho-viability-p1 set2 4 2.32797063 1.56697004 1.68881814 4.46747149 2.40956184 4.74491141 1.72834434 1.77226365 0.23928477 1.61777957 2.06612539 5.13311558 2.54396476 0.28986718 0.6088087 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83991-25-7 71270 170466496 A F Ambasilide Nc1ccc(cc1)C(=O)N2CC3CC(C2)CN(C3)Cc4ccccc4 Tox21_113814 -NCGC00249888-01 196717354 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -13.233588428 3 -10.233588428 4.9549173134 0.81019936 0.006553852 1.64548427 -0.1513624 1.59088451 1.53413732 2.89409775 2.49564439 4.22784179 4.81991755 2.80538471 4.53300536 3.36324854 2.43134004 4.47401634 2.05047399 -8.11132369 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68-19-9 5311498 170464872 F F Vitamin B12 NC(=O)CC[C@@H]8C=2N=C(C(C)=C1[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@@](C)(N1[Co+]C#N)[C@@H]7N=C(C(C)=C3N=C(C=2)C(C)(C)[C@@H]3CCC(N)=O)[C@](C)(CCC(=O)NC[C@@H](C)OP([O-])(=O)O[C@@H]6[C@@H](CO)O[C@H](n5cnc4cc(C)c(C)cc45)[C@@H]6O)[C@H]7CC(N)=O)[C@@]8(C)CC(N)=O Tox21_113664 -NCGC00167437-02 196717357 tox21-ror-cho-viability-p1 set2 4 -2.73177377 -2.75912387 -6.10336358 -1.92778671 -2.77939216 0.83269337 -1.62198613 -0.48683725 1.06183294 -1.6532182 -0.16844325 -1.02433718 -1.4077488 -1.21440074 -1.5665286 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 132907-72-3 107999 170465928 A Ramosetron hydrochloride Cl.O=C(c2cn(C)c1ccccc12)[C@H]3Cc4ncnc4CC3 Tox21_112441_1 -NCGC00257094-01 196718100 tox21-ror-cho-viability-p1 set2 4 0.913052 1.11268186 1.02567202 2.30615921 1.19890549 0.33488409 0.89804025 4.16146064 -11.79465158 1.59243864 0.39626489 5.32861102 1.36454258 0.35495867 2.27411668 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 583-39-1 707035 144213591 A A 2-Mercaptobenzimidazole S=C1Nc2ccccc2N1 Tox21_303274 -NCGC00249907-01 196717690 tox21-ror-cho-viability-p1 set2 4 0.86101339 1.62047685 -1.21925025 0.22084346 3.23652038 1.55732558 -3.57603602 -0.16525399 0.68357374 2.69389653 1.41749872 0.67540982 2.272757 1.88682166 -0.0083409 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61-56-3 5356 170465788 A A Sulthiame O=S2(=O)CCCCN2c1ccc(cc1)S(N)(=O)=O Tox21_113683 -NCGC00166215-05 196717695 tox21-ror-cho-viability-p1 set2 4 2.79984297 -0.36349353 -6.30211124 0.4489088 -4.90209999 -5.9639328 -1.84435162 -3.41396684 -5.53968648 -0.80424833 -3.17734608 0.27384658 -1.99305455 -1.64499985 1.19167067 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60-12-8 6054 170466787 F 2-Phenylethanol OCCc1ccccc1 Tox21_113544_1 -NCGC00178480-03 196717697 tox21-ror-cho-viability-p1 set2 4 33.4914596268 14.104754964 -2.104754964 12 4.9549173134 0.6941961879 0.0413589119 -0.06676427 -3.01830855 -5.50396247 0.83783009 -1.19582561 -3.16142129 1.04020104 0.1790658 -0.13380693 -3.17001313 -3.09702902 -3.71531519 -3.83925326 -2.27264712 9.76580492 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-94-3 16051918 170464882 A (+)-Tubocurarine chloride hydrochloride [Cl-].Cl.Oc7ccc1cc7Oc5cc6[C@H](Cc4ccc(Oc2c3[C@@H](C1)[N+](C)(C)CCc3cc(OC)c2O)cc4)N(C)CCc6cc5OC Tox21_112039_1 -NCGC00257262-01 196718103 tox21-ror-cho-viability-p1 set2 4 2.13452244 -0.67244938 -2.24661136 -1.1268925 -3.04858182 -2.31099028 -2.25628969 -1.36967636 -0.74533699 0.23823643 0.63113099 -0.54313474 1.27618621 1.23226662 0.13335932 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4433-79-8 78170 144213794 A C N-(4-Chloro-2,5-dimethoxyphenyl)-3-oxobutanamide COc1cc(NC(=O)CC(C)=O)c(cc1Cl)OC Tox21_303485 -NCGC00163903-03 196718509 tox21-ror-cho-viability-p1 set2 4 2.04212492 -0.90662197 2.85897817 4.33146045 -1.48040119 5.1347149 -0.5198118 10.12045855 1.76965 1.50865601 6.93609086 5.45269396 1.01419955 6.91829385 1.62469739 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00257367-01 196718519 tox21-ror-cho-viability-p1 set2 4 -1.14283846 4.36784502 3.75475702 4.87750417 3.71652741 3.37556505 0.90166645 3.28816009 -2.47965927 1.29246199 -0.69975667 -1.3217322 0.98561642 -1.603984 -1.45883262 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 486-66-8 5281708 144213952 A A Daidzein Oc1ccc(cc1)C3=COc2cc(O)ccc2C3=O Tox21_303650 -NCGC00257195-01 196718529 tox21-ror-cho-viability-p1 set2 4 1.11672129 -1.74201742 1.42542711 -1.55445356 -3.34949432 -2.10529635 -0.76119928 -1.96197363 -4.27124664 -0.02426133 2.6981853 -0.94702782 -2.19691085 -1.69299942 2.36905228 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 118-48-9 8359 144213375 A A 2H-3,1-Benzoxazine-2,4(1H)-dione O=C1OC(=O)Nc2ccccc12 Tox21_303058 -NCGC00256624-01 196718532 tox21-ror-cho-viability-p1 set2 4 0.1368542878 4.3617779559 -4.8617779559 -0.5 2.4063783767 0.3630695121 0.3100246391 -4.94844483 -4.5683914 -3.07924168 -2.06673401 -9.05148163 -4.45085021 -1.93989162 -1.25150658 -1.02482154 2.2496746 -1.67841936 1.46146751 -4.34720437 -4.60296006 5.12359871 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2349-07-7 16872 144212808 A F Hexyl isobutyrate O=C(OCCCCCC)C(C)C Tox21_302491 -NCGC00257626-01 196716046 tox21-ror-cho-viability-p1 set2 4 -0.32479471 -0.37768559 -3.30272791 -1.62421587 -2.79770145 0.41998827 -1.96008879 -0.96945171 0.44743785 0.02576402 -0.66750953 -0.39606158 1.18347893 -1.26048593 0.67573359 1.163E-9 2.5999999999E-9 5.8139999999E-9 1.2999999999E-8 2.9069999999E-8 6.5E-8 1.453E-7 3.25E-7 7.267E-7 0.000001625 0.000003634 0.000008125 0.00001817 0.000040619999999 0.00009084 577-59-3 11346 144207270 A A 2-Nitroacetophenone O=[N+]([O-])c1ccccc1C(C)=O Tox21_200072 -NCGC00258100-01 196715634 tox21-ror-cho-viability-p1 set2 -2.2 43.585382615 -60.3631126462 1.5124882619 -58.8506243843 2.7202212143 0.981494037 3.03E-8 0.05327536 -1.28683014 -2.17354307 0.10548165 2.35077497 2.56649796 0.09721891 3.41711696 2.61328088 0.90580853 2.34404893 3.47312921 -0.23393636 -28.63740939 -51.40198817 1.187E-9 2.6549999999E-9 5.936E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.3189999999E-7 7.42E-7 0.000001659 0.0000037099999999 0.0000082959999999 0.00001855 0.000041479999999 0.00009276 2664-60-0 17569 144207744 A A Dodecylparaben Oc1ccc(cc1)C(=O)OCCCCCCCCCCCC Tox21_200546 -NCGC00257748-01 196715648 tox21-ror-cho-viability-p1 set2 4 1.93453607 3.46108392 1.72691961 0.74240792 1.84595715 3.09925511 0.21128078 3.02511412 6.13287102 1.49331513 1.33198314 0.99796126 4.55329231 4.31698824 2.06509795 1.1989999999E-9 2.6809999999E-9 5.9959999999E-9 1.3409999999E-8 2.998E-8 6.703E-8 1.4989999999E-7 3.352E-7 7.495E-7 0.000001676 0.000003747 0.0000083789999999 0.000018739999999 0.000041899999999 0.00009368 107-96-0 6514 144207392 A A 3-Mercaptopropanoic acid O=C(O)CCS Tox21_200194 -NCGC00258542-01 196716042 tox21-ror-cho-viability-p1 set2 -1.1 28.0017037318 -78.0349353284 -2.531203271 -80.5661385994 4.5044702849 0.9977809672 0 -2.17789228 -2.28289018 -3.52454085 -3.66496976 -0.55674551 -0.07594784 -1.58052834 -1.62044387 -3.56726301 -3.16207098 -2.0069741 -4.26103026 -14.53912749 -70.98701133 -79.47660647 1.2049999999E-9 2.695E-9 6.026E-9 1.347E-8 3.013E-8 6.737E-8 1.507E-7 3.3689999999E-7 7.533E-7 0.0000016839999999 0.000003766 0.000008422 0.000018829999999 0.000042109999999 0.000094159999999 65646-68-6 5288209 144208187 B B 4-Hydroxyphenyl retinamide CC=2CCCC(C)(C)C=2/C=CC(\C)=C\C=C\C(\C)=C\C(=O)Nc1ccc(O)cc1 Tox21_200989 -NCGC00263918-03 196725300 tox21-ror-cho-viability-p1 set3 -2.2 26.6032120037 -60.5874631064 -2.232354912 -62.8198180184 2.1210667061 0.9176126202 0.0001203135 0 0 -0.61854372 1.08618667 -7.62311323 2.8388385 -8.75824334 -8.89922808 -0.17578886 -0.76457691 -1.84728574 -3.0546448 -12.26775312 -21.10982439 -49.48471062 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_45111 443939 170465451 D Epirubicin hydrochloride Cl.OCC(=O)[C@@]4(O)C[C@H](O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1)c5c(O)c3C(=O)c2c(OC)cccc2C(=O)c3c(O)c5C4 Tox21_110050_1 -NCGC00356944-01 196724895 tox21-ror-cho-viability-p1 set3 4 0.002730602 9.0886409519 -7.0886409519 2 3.5117481694 0.4122971115 0.2621410725 -6.32386746 -3.61209096 6.77504857 -3.14168128 4.3351052 -3.67415311 3.85319737 -0.71544624 3.08191939 1.45318192 1.25634687 3.61765404 2.63916363 3.2477834 1.00993741 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 498-81-7 10353 251919769 I Dihydro-alpha-terpineol CC1CCC(CC1)C(O)(C)C Tox21_303808 -NCGC00357178-01 196724901 tox21-ror-cho-viability-p1 set3 4 0.3063785869 -7.3382936679 1.5 -5.8382936679 4.9549173134 0.4528188416 0.2392335219 -5.54280267 -3.8749057 -2.06841131 6.54655716 7.2425845 4.87828361 1.94825554 -2.86112901 -6.29335389 -4.40603412 -2.51859148 -9.03191139 -7.92794064 -4.013576 3.67570011 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2479-46-1 17201 251919891 1,3-Bis(4-aminophenoxy)benzene Nc1ccc(cc1)Oc3cccc(Oc2ccc(N)cc2)c3 Tox21_303941 -NCGC00016561-05 196725294 tox21-ror-cho-viability-p1 set3 4 0.26603212 13.25511076 0.74488924 14 0.4 0.4765072015 0.217156059 2.76346218 2.87189929 6.77241767 -5.2125923 5.9707407 -0.33629294 9.66045225 8.49731362 11.8664594 7.38795357 8.10005257 6.10983463 13.05896154 14.01452028 1.75728208 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1084-65-7 4165 170465801 A Meticrane NS(=O)(=O)c2cc1c(CCCS1(=O)=O)cc2C Tox21_110495_1 -NCGC00018130-09 196725317 tox21-ror-cho-viability-p1 set3 4 5.01156613 9.91357886 4.75052278 13.81457509 10.19113409 14.55876579 16.53239847 19.99400847 -5.04796479 -0.05205711 10.56756818 15.31703772 9.92758792 0.84445592 -1.57967043 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 136-40-3 8691 170465267 A Phenazopyridine hydrochloride Cl.Nc2nc(N)ccc2/N=N/c1ccccc1 Tox21_110829_1 -NCGC00166265-02 196725714 tox21-ror-cho-viability-p1 set3 4 13.3331902297 -18.8412111479 0.5 -18.3412111479 3.5117481694 0.8275791735 0.0062324146 3.21928158 2.29968846 -1.28455746 1.00382653 1.20342246 0.08931161 4.27516931 -2.69546811 -1.66429542 -0.50676988 -1.48417198 -1.11487306 -2.12336613 -16.95100929 -3.45951278 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2037-95-8 16258 170466090 A Carsalam O=C2NC(=O)Oc1ccccc12 Tox21_112383_1 -NCGC00256566-01 196727463 tox21-ror-cho-viability-p1 set3 4 4.6311094 -0.29242194 4.16160299 0.09613145 2.82588082 2.00813553 1.15617498 1.01563448 2.20521524 2.64075553 -1.05104596 2.29868707 0 1.99539555 -3.08356501 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 5131-60-2 21209 144213138 A A 4-Chloro-1,3-diaminobenzene Nc1ccc(Cl)c(N)c1 Tox21_302821 -NCGC00256638-01 196727055 tox21-ror-cho-viability-p1 set3 4 -3.34704801 -1.56247261 -1.90900048 -3.0732925 -1.91280197 -2.90866303 -0.21130119 -7.09171157 -3.53219465 -14.64714265 0 2.4980813 2.93248937 -3.62218487 0.16898327 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68606-83-7 144213020 M M Cananga oil Tox21_302703 -NCGC00257264-01 196727454 tox21-ror-cho-viability-p1 set3 4 -3.12871447 -2.23750772 1.03350246 1.40011338 1.46519957 -1.23568329 -0.41052627 -2.79461934 -9.93648144 0 -2.36759937 -0.21771221 -0.37540382 -1.98997568 -2.12585463 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-93-2 7269 144213819 A Ac 1,2,4,5-Tetramethylbenzene Cc1cc(C)c(C)cc1C Tox21_303511 -NCGC00257096-01 196727461 tox21-ror-cho-viability-p1 set3 4 -2.84007226 -5.31326257 -2.52211462 -6.06946389 -3.09410798 1.60387027 0.47317612 1.90406316 -0.30419806 1.71294714 -2.61749741 2.00357945 0.87412415 0.67157066 -0.45231936 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-41-4 8183 144213620 F Fns 1-Dodecene CCCCCCCCCCC=C Tox21_303303 -NCGC00256370-01 196727465 tox21-ror-cho-viability-p1 set3 -2.1 54.4826732819 -70.5422706119 -2.057570396 -72.5998410079 3.9294729863 0.9772594125 9.96E-8 -5.21925259 -1.74559283 -4.37468939 0.72733956 0 -3.76074147 -7.78210813 0 0 -0.46328094 -3.2738267 -4.05329997 -0.11971705 -19.64988645 -64.8483644 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63-92-3 5284441 144213295 C Fns Phenoxybenzamine hydrochloride Cl.CC(COc1ccccc1)N(Cc2ccccc2)CCCl Tox21_302978 -NCGC00257410-01 196727475 tox21-ror-cho-viability-p1 set3 4 0.16225185 -0.78513849 -4.12493784 -2.64348735 -0.54921409 -2.52937212 -0.29074147 -0.05183697 3.26956412 0.50674174 2.3685709 2.38008778 4.27455907 0.27722968 0.21313443 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7775-27-1 62655 144213897 F Sodium persulfate [Na+].[Na+].O=S(=O)([O-])OOS([O-])(=O)=O Tox21_303592 -NCGC00255795-01 196727890 tox21-ror-cho-viability-p1 set3 4 0 -3.1273702 2.57457072 -0.05795028 1.26727107 0.57453445 2.48353816 5.19753525 -0.25889886 5.14354395 3.67614454 -3.7524148 -2.26711033 0.42832617 0.46903617 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4620-70-6 78361 144212375 F A 2-(tert-Butylamino)ethanol CC(C)(C)NCCO Tox21_302058 -NCGC00163724-03 196703365 tox21-ror-cho-viability-p1 set1 4 4.65542865 -0.88849818 2.16159099 4.95002735 2.08000218 1.69792949 -0.46088937 0.32929064 -2.01018577 1.85112055 2.93108538 3.89804167 5.37034198 2.04335657 -1.7971448 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00357057-01 196703366 tox21-ror-cho-viability-p1 set1 4 0.3437624285 -16.486207444 1 -15.486207444 0.6 0.6857173703 0.0448203132 -1.91687269 -0.66426979 1.41270758 3.37823338 -0.19925834 -9.49767901 -10.01541392 -2.37234548 -5.69837851 -9.90015389 -18.896747 -11.5517685 -9.75128053 -19.15517287 -13.03126818 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 31482-56-1 92278 251919895 A C.I. Disperse Orange 25 [O-][N+](=O)c1ccc(cc1)/N=N/c2ccc(cc2)N(CCC#N)CC Tox21_303759 -NCGC00090789-02 196703368 tox21-ror-cho-viability-p1 set1 4 0.60370228 1.0866645 -10.95596032 -1.03153753 -1.04039301 0.30730109 -1.93568432 -0.17045416 -5.73506881 -0.79702661 -3.89966326 -1.32141117 3.4794206 0.93741182 1.05306931 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00160439-02 196697974 tox21-ror-cho-viability-p1 set1 4 0.63031371 1.09861581 0.05254403 2.15212289 -1.2601928 0.3875581 -3.17155299 1.48598535 -0.01838117 2.91339494 -6.79442552 -5.39134782 0.67877651 1.67630479 1.37969353 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2210-77-7 24361 170466449 A Pyrrocaine O=C(Nc1c(C)cccc1C)CN2CCCC2 Tox21_111811_1 -NCGC00260187-01 196724136 tox21-ror-cho-viability-p1 set3 4 0.0620642464 5.119068552 -3.619068552 1.5 4.9549173134 0.5256181719 0.1576123004 -5.9078065 -0.36703103 -0.97954903 -8.01589046 -3.74172929 -0.94523965 4.35688783 1.35360919 -0.49327361 3.80042512 0.1662254 -2.553244 3.62985515 3.04188292 1.16684646 1.195E-9 2.671E-9 5.973E-9 1.336E-8 2.986E-8 6.678E-8 1.493E-7 3.3389999999E-7 7.466E-7 0.000001669 0.000003733 0.000008347 0.00001866 0.00004174 0.00009332 342573-75-5 12095229 144209837 A Ac 1-Ethyl-3-methylimidazolium ethyl sulfate C[n+]1ccn(CC)c1.[O-]S(=O)(=O)OCC Tox21_202639 -NCGC00091088-05 196697970 tox21-ror-cho-viability-p1 set1 4 76.9588215421 8.6169655559 -0.6169655559 8 4.9549173134 0.4001200099 0.2773963946 2.20980489 0.25286189 -0.96136722 0.1427983 0.17140116 -2.46423289 -4.68080463 2.76472358 -3.14542251 -0.38410313 -0.25941566 -2.74969832 -0.06197508 -0.3984808 5.38093737 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00163818-04 196697971 tox21-ror-cho-viability-p1 set1 -2.4 3.8570778872 -27.573380584 4.5 -23.073380584 1.4641 0.9458354158 0.0000130246 2.04170433 3.78325418 8.89455557 2.28596137 0.75226794 5.91922764 7.63030649 1.0186927 1.90363037 0.70430724 -9.83541188 -18.98611139 -17.25697597 -20.69787887 -24.64448382 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00091210-02 196697977 tox21-ror-cho-viability-p1 set1 4 -4.52992353 -1.90973456 -3.7869558 0.74256368 -1.60190094 -4.41268803 -2.97655432 -2.45235593 -1.94171183 -1.29412085 6.87430588 0.02181894 -3.92659707 -1.91959421 -1.55231374 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00161636-02 196697986 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -13.88795676 2.5 -11.38795676 4.9549173134 0.6518573897 0.06367984 -0.33507786 0.99442902 0.44838852 5.05170188 4.0172326 3.89859598 0.80497269 6.29815944 1.11752025 2.2907278 0.29701338 3.92615828 -1.07412139 4.5105837 -10.3232973 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2217-44-9 75194 170466267 C Iodophthalein sodium [Na+].[Na+].IC1=CC(\C=C(I)C1=O)=C(/c2cc(I)c([O-])c(I)c2)c3ccccc3C([O-])=O Tox21_112622_1 -NCGC00016612-05 196697989 tox21-ror-cho-viability-p1 set1 4 -4.18444847 -0.46513149 -4.23494137 -1.99951544 -4.46320723 -0.25643614 -2.25622571 -4.27413436 -2.14243005 -1.88457217 -1.69076918 -3.06817463 -4.02061603 -8.35816002 -8.0178199 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2447-57-6 17134 170464751 A Sulfadoxine O=S(=O)(Nc1ncnc(OC)c1OC)c2ccc(N)cc2 Tox21_110523_1 -NCGC00016403-06 196698393 tox21-ror-cho-viability-p1 set1 4 1.20607608 0.23186315 -0.11444182 0.6853124 0.19056964 -0.04493488 -0.481234 0.26809923 1.51992022 -0.45945955 -0.53308592 0.72827918 -4.71275606 0.19302074 4.11203306 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 138-37-4 67313 170465055 Z Mafenide hydrochloride Cl.O=S(N)(=O)c1ccc(CN)cc1 Tox21_110423_1 -NCGC00091483-03 196698400 tox21-ror-cho-viability-p1 set1 -2.4 76.9588215421 -36.4758655 2 -34.4758655 4.9549173134 0.8623021362 0.0015199527 3.39576784 5.37112831 7.57801911 2.79741155 0.03538799 0.99838825 0.3496959 -0.46953063 0.60887701 3.81140371 0.83675728 -0.37013887 -2.63478037 4.87748503 -27.06322125 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00256451-01 196718593 tox21-ror-cho-viability-p1 set2 -3 61.130564862 -45.571854706 0.429422952 -45.142431754 3.2974983358 0.9481879358 0.0000102392 0.25901034 -0.37905978 1.09511512 4.99180703 1.83485035 1.48398475 0.5312677 0.1271308 0.55271833 -6.06904123 1.24520166 1.06403135 -0.89047222 -8.97882928 -35.71396345 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 434-13-9 9903 144213108 A A Lithocholic acid O=C(O)CC[C@@H](C)[C@H]4CC[C@@H]3[C@]4(C)CC[C@H]1[C@H]3CC[C@@H]2C[C@H](O)CC[C@]12C Tox21_302791 -NCGC00025195-06 196723119 tox21-ror-cho-viability-p1 set3 4 0.16785492 16.9531642279 -12.9531642279 4 3.9899729863 0.5076732211 0.171156808 2.59205348 1.64307152 -18.96558852 -8.28497354 -18.93081128 -24.96097019 -23.46095108 -3.28390144 5.40947207 3.04568956 3.52404494 1.90058256 -1.78229284 2.33961134 12.16083696 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 78712-43-3 6438130 170466054 A Ozagrel hydrochloride Cl.O=C(O)/C=C/c2ccc(Cn1ccnc1)cc2 Tox21_110693_1 -NCGC00018218-10 196723124 tox21-ror-cho-viability-p1 set3 4 5.3080386368 -12.417281368 3 -9.417281368 3.0654483358 0.5034441246 0.175361544 0.79570193 -0.13956761 -1.66878631 -1.8547961 -0.22353019 -0.03359834 1.26125423 0.37462904 13.25262209 12.92075367 5.40909543 -0.14155096 -9.35261108 -6.88895082 -10.76440114 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 89-25-8 4021 170465935 A Edaravone O=C2CC(C)=NN2c1ccccc1 Tox21_112077_1 -NCGC00263579-01 196723131 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -100.2035391154 3.5514711034 -96.652068012 4.9549173134 0.9337606375 0.0000383173 -1.19238375 0.20467043 -0.79203011 1.44174216 -0.85887706 -2.1138608 1.03648102 4.53464607 -2.59197191 14.18806213 4.77284616 8.60724948 9.19384556 7.31145433 -84.7825158 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 169293-50-9 11626384 170465208 C rac Nebivolol hydrochloride Cl.Fc1cc2CC[C@@H](Oc2cc1)[C@@H](O)CNC[C@H](O)[C@@H]3CCc4cc(F)ccc4O3 Tox21_113618_1 -NCGC00257494-01 196718589 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -13.5188682919 2 -11.5188682919 4.0949729863 0.4533827788 0.2225714459 -1.67025787 -1.59280567 -0.39980134 -1.82283415 4.33142779 2.20533269 3.46986378 6.09004537 3.40245351 2.146666 7.73463017 4.98610247 -1.23317239 0.57424323 -8.34905691 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13680-35-8 83656 144213854 A A 4,4'-Methylenebis(2,6-diethylaniline) CCc1cc(cc(CC)c1N)Cc2cc(CC)c(N)c(CC)c2 Tox21_303549 -NCGC00256977-01 196718591 tox21-ror-cho-viability-p1 set2 4 -2.61940577 -1.51017989 0.82438758 -0.21324232 -1.49862231 1.49028688 1.39415407 -6.284039 -0.46142159 -3.75142474 -5.95150631 0.55250497 1.05849791 -1.11576032 -0.1974062 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-26-2 111037 144213559 A F alpha-Terpinyl acetate CC(=O)OC(C)(C)C1CC=C(C)CC1 Tox21_303242 -NCGC00257504-01 196718592 tox21-ror-cho-viability-p1 set2 4 2.34993719 0.80311369 -0.80434435 -0.13519426 0 3.48145825 1.92930531 4.16801455 0.04551758 2.19277957 1.39196831 -0.91685922 1.12174916 1.28168354 2.51952455 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52225-20-4 86472 144213754 F Fns dl-alpha-Tocopheryl acetate CC(=O)Oc2c(C)c(C)c1O[C@@](C)(CCc1c2C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C Tox21_303444 -NCGC00256875-01 196718595 tox21-ror-cho-viability-p1 set2 4 1.67521756 0.90932412 2.20287725 -0.43535097 3.22243317 6.03957206 1.30175572 1.97091933 4.87461517 4.70212694 6.33916348 0.87111629 0.98794542 0.96194992 0.33850422 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-86-2 5282109 144212862 C Bc (2E)-3,7-Dimethylocta-2,6-dien-1-yl formate C\C(C)=C\CCC(\C)=C\COC=O Tox21_302545 -NCGC00256854-01 196718602 tox21-ror-cho-viability-p1 set2 4 0.13164733 0.05236947 2.40019977 1.16196665 0.31948197 4.18414107 0.57242999 6.03144834 9.098763 5.51168412 9.4359974 1.1982375 -1.67904983 0.56545177 -2.45734734 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-19-4 6873 144212832 A A Isobutyl salicylate Oc1ccccc1C(=O)OCC(C)C Tox21_302515 -NCGC00257093-01 196718611 tox21-ror-cho-viability-p1 set2 4 2.02496303 -0.76881361 0.12428998 3.93320926 1.00253026 2.35713327 -0.46077344 0.16232675 2.08440047 0.91661574 3.25531437 4.45102286 2.08818764 0.82257102 0.23226919 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.000018429999999 0.0000412 0.000092129999999 56-93-9 5963 144213577 A Benzyltrimethylammonium chloride [Cl-].C[N+](C)(C)Cc1ccccc1 Tox21_303260 -NCGC00256377-01 196719007 tox21-ror-cho-viability-p1 set2 4 -2.73194751 -0.14201643 0.45538168 0.94584152 -2.169394 -2.81707713 -2.80831473 0.87933782 -3.58548096 0.04694233 -3.28232934 -5.21535957 -2.78071483 -1.50724602 -4.62730675 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2516-40-7 612040 144213130 A Ac 2-Bromobenzothiazole Brc1nc2ccccc2s1 Tox21_302813 -NCGC00256448-01 196719015 tox21-ror-cho-viability-p1 set2 4 1.94745252 -0.14232575 2.91883434 -0.1101636 0.19476732 -3.70241064 0.15115354 -0.86201563 3.85620531 -1.96215325 -0.59546727 -0.08087916 1.69230972 -0.17582362 4.83087606 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-20-3 24730 144213065 A A Triisopropanolamine CC(O)CN(CC(C)O)CC(O)C Tox21_302748 -NCGC00254883-01 196720628 tox21-ror-cho-viability-p1 set3 4 0.13310613 -5.04845797 1.74913429 5.57541044 -0.32218626 4.21938502 -12.52495881 3.05395913 4.47174554 -21.84564178 -11.92091146 5.888652 2.94255136 -5.21284235 -10.04498169 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10469-09-7 82646 144211298 A Ac 3,4,5,6-Tetrachloropyridine-2-carboxylic acid Clc1c(Cl)c(nc(Cl)c1Cl)C(=O)O Tox21_300981 -NCGC00254451-01 196720215 tox21-ror-cho-viability-p1 set3 4 6.8380418669 -10.692977196 10 -0.692977196 1.111 0.3751708008 0.2958463643 6.03128794 10.73079305 5.31453741 8.61565097 3.94644895 17.61815962 12.66567195 20.09476231 8.6771178 -0.07313629 9.99116936 5.11977917 1.03298689 0.7021318 -0.16081433 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 41372-08-1 38852 144210800 A A Methyldopa sesquihydrate O.O.O.Oc1ccc(C[C@](C)(N)C(=O)O)cc1O.O=C(O)[C@@](C)(N)Cc1cc(O)c(O)cc1 Tox21_300482 -NCGC00090702-02 196720222 tox21-ror-cho-viability-p1 set3 4 -6.03618857 -10.16234385 -0.80346279 0.9797928 -4.83652168 -1.21356678 3.37970607 -0.12358407 2.05561121 2.05995662 2.07585754 -13.92235034 2.21814368 -4.72363262 -15.48266628 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00254320-01 196720621 tox21-ror-cho-viability-p1 set3 4 0.0030513272 21.5684547639 -24.4064705039 -2.83801574 0.5 0.4808698897 0.2129026004 -15.22504866 -20.33872542 -8.83037728 -3.31401616 -7.91619627 -13.33026959 -4.06964043 -5.35571422 -3.41424974 -3.70227373 -0.69834645 -2.28382322 -3.7128184 -11.67867539 -15.87733785 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 104795-68-8 13961743 144210753 A A CI-959 [Na+].CC(C)Oc1c3cc(ccc3sc1C(=O)Nc2[n-]nnn2)OC Tox21_300435 -NCGC00167526-02 196717309 tox21-ror-cho-viability-p1 set2 4 26.6032120037 9.152818968 -0.652818968 8.5 4.9549173134 0.6965329367 0.0408618932 -2.53891288 -1.35240265 1.44427608 -2.62734914 -0.19237203 -2.47599916 -0.39578119 -0.8935309 -0.30247896 1.70572088 2.15627577 -0.0972695 -1.83871237 1.22228878 8.12481754 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59721-29-8 5284360 170465784 A Camostat O=C(Oc1ccc(cc1)CC(=O)OCC(=O)N(C)C)c2ccc(NC(=N)N)cc2.CS(=O)(=O)O Tox21_112523_1 -NCGC00263474-01 196716889 tox21-ror-cho-viability-p1 set2 2.1 8.1961467758 90.8664227294 -1.4668289619 89.3995937675 2.4063783767 0.9561663137 0.0000040706 0.50394295 -0.86024497 0.72636708 -2.77365805 -1.66816104 1.03317346 -0.74744867 2.49298938 -1.10760809 -0.17331883 -0.94151629 -2.69185851 1.60547386 66.77578704 78.61073497 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 957-68-6 441328 170466731 A 7-Aminocephalosporanic acid O=C(O)C=1N2C(=O)[C@@H](N)[C@H]2SCC=1COC(C)=O Tox21_110490_1 -NCGC00159397-03 196717291 tox21-ror-cho-viability-p1 set2 4 1.75722943 2.80197903 -5.67389272 -4.54691969 -0.91380278 -1.45183221 -4.10424423 2.51612411 -5.69242893 2.03311463 -4.84681848 -5.99129989 -3.53687792 -5.31890917 -0.04044996 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 129-81-7 8522 170465556 A Iodoantipyrine O=C2C(I)=C(C)N(C)N2c1ccccc1 Tox21_111636_1 -NCGC00095116-05 196717297 tox21-ror-cho-viability-p1 set2 4 0.91780449 -5.21698951 0.32470878 0.90459111 -1.66314747 1.30057127 -4.82275611 1.72721904 -3.95509707 -5.06679526 -0.76626034 1.67429406 0.02481812 -3.75933073 -3.31976458 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1665-48-1 15459 170465241 A Metaxalone Cc1cc(cc(C)c1)OCC2CNC(=O)O2 Tox21_111428_1 -NCGC00263949-02 196717311 tox21-ror-cho-viability-p1 set2 3 33.4914596268 62.9909929019 2.710232889 65.7012257909 4.9549173134 0.9742670159 2.026E-7 1.19238788 0.10369088 0.59000887 0.15704664 3.0598503 4.69752553 4.78874025 4.71083407 2.27670857 3.20539653 4.17081657 6.66408613 3.76386699 4.34301966 58.00136199 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59703-84-3 60196356 170465380 B Piperacillin sodium salt [Na+].O=C([O-])[C@H]3N4C(=O)[C@@H](NC(=O)[C@H](NC(=O)N1CCN(CC)C(=O)C1=O)c2ccccc2)[C@H]4SC3(C)C Tox21_113405_1 -NCGC00162116-04 196717312 tox21-ror-cho-viability-p1 set2 4 -2.61308868 0.05171344 -2.71347945 1.3000285 0.84051271 8.61901602 0.76643118 0.04480347 0.85758759 -1.90615428 -3.6825659 -2.09936439 -2.74521733 -1.26169504 -2.40478011 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 24356-60-3 23675312 170465306 B Cephapirin sodium [Na+].[O-]C(=O)C=2N3C(=O)[C@@H](NC(=O)CSc1ccncc1)[C@H]3SCC=2COC(C)=O Tox21_110772_1 -NCGC00181170-02 196717711 tox21-ror-cho-viability-p1 set2 4 1.34865333 1.85865848 2.03738874 -2.07699771 -9.05008887 -8.87653208 1.52155522 -0.75167748 1.5732118 2.67479197 1.95431385 0.26671145 -1.29345662 0.84516025 -1.19684237 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16506-27-7 65628 170465340 A Bendamustine ClCCN(CCCl)c1cc2nc(CCCC(=O)O)n(C)c2cc1 Tox21_112771_1 -NCGC00091062-09 196717719 tox21-ror-cho-viability-p1 set2 4 -0.79400051 0.32404822 2.02559259 4.47728786 5.40486316 6.18563653 5.42513046 6.3856475 1.46270312 -1.03964635 0.08985893 -0.78040314 0.06336657 1.2235501 1.40018484 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4350-09-8 439280 170466308 A 5-Hydroxytryptophan O=C(O)[C@@H](N)Cc2cnc1ccc(O)cc12 Tox21_111073_1 -NCGC00257221-01 196726562 tox21-ror-cho-viability-p1 set3 4 0.0385707789 -9.6269303521 10 0.3730696479 2.2526478767 0.5144219146 0.1658591949 8.224349 1.32202526 21.59565441 7.78742394 6.9942722 2.0751483 1.63307302 -3.02244196 1.14352836 -0.67875575 2.34711296 -1.61304234 1.57931494 1.70303108 0.29371982 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-90-7 6505 144213445 A A Acetyl tributyl citrate CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC Tox21_303128 -NCGC00256971-01 196726556 tox21-ror-cho-viability-p1 set3 4 -0.68556049 -1.30498767 -3.26951256 -12.1794311 -2.46712882 -3.22449909 -22.78551409 -21.24293344 0 0 0 -2.78817569 -1.45902462 -1.98125317 1.49602923 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-42-7 7335 144213422 A I Carvyl acetate O=C(C)OC1CC(CC=C1C)C(=C)C Tox21_303105 -NCGC00256319-01 196726558 tox21-ror-cho-viability-p1 set3 4 -0.73060097 -3.79040394 -5.17262794 -2.09792105 -2.27769689 1.86290014 -24.43275898 -2.77023189 -21.7120962 -24.03829565 0 -0.79814141 -1.83712655 -1.97221019 -3.79095011 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 612-82-8 108938 144213115 A B 3,3'-Dimethylbenzidine dihydrochloride Cl.Cl.Cc1cc(ccc1N)c2ccc(N)c(C)c2 Tox21_302798 -NCGC00257211-01 196726561 tox21-ror-cho-viability-p1 set3 4 -0.24102102 2.76827801 2.23321264 0.41759496 -0.43813445 -0.3396605 -12.02160898 -2.8834836 -1.5381627 -1.86810373 -9.54449258 2.90101233 2.82752687 -0.86493174 -0.33135939 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 603-35-0 11776 144213611 D A Triphenylphosphine c1ccccc1P(c2ccccc2)c3ccccc3 Tox21_303294 -NCGC00256300-01 196729121 tox21-ror-cho-viability-p1 set3 4 -0.50152071 2.6745308 -3.90673114 -1.65571226 -3.115924 1.23304677 8.89426922 -10.77978416 2.74572432 -4.09501268 4.42348793 -2.68709355 -5.37081045 6.331905 4.23805103 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88485-37-4 91747 144212109 A A Fluxofenim Clc1ccc(cc1)\C(=N\OCC2OCCO2)C(F)(F)F Tox21_301792 -NCGC00255165-01 196728314 tox21-ror-cho-viability-p1 set3 4 19.3311819617 -15.8730337039 1.5 -14.3730337039 2.2526478767 0.6441270556 0.0676824007 -0.09875806 5.22861856 -3.401819 4.45285029 3.04872097 6.36011022 -1.95464368 -2.09552987 0.8224666 7.05444879 -0.50534119 -4.91679767 -1.48978855 -17.81086142 -10.88393616 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1701-77-5 107202 144212302 A A Methoxyphenylacetic acid COC(C(=O)O)c1ccccc1 Tox21_301985 -NCGC00255153-01 196728722 tox21-ror-cho-viability-p1 set3 -2.1 61.130564862 -87.0708832682 0.7121882459 -86.3586950223 2.9522712143 0.9804603275 4.15E-8 -1.47653378 2.96150833 -1.17482965 5.93971222 -0.25599951 -1.70857875 0.36871914 0.29389807 1.61748468 5.5201195 -2.03253991 0.87416357 -4.23493776 -18.46831528 -66.93840532 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 82640-04-8 54900 144212686 A A Raloxifene hydrochloride Cl.Oc1ccc(cc1)c3sc2cc(O)ccc2c3C(=O)c5ccc(OCCN4CCCCC4)cc5 Tox21_302369 -NCGC00090962-05 196728726 tox21-ror-cho-viability-p1 set3 4 2.17832781 -2.8461864 -3.92279219 -6.58477097 -7.20281903 -1.37900677 2.48423568 10.22373224 4.53762073 -5.28236297 4.8092813 0.95696929 -0.73425857 -5.45683851 -9.61238485 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00256147-01 196729131 tox21-ror-cho-viability-p1 set3 4 3.26965095 0.47729708 2.3815386 1.25029084 3.65416129 1.22217203 3.85776107 5.26755859 2.29100822 7.41372548 4.27823786 1.22361088 4.65018631 -0.76791093 0.60797146 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22987-10-6 89953 144211964 A A N-(3-Aminophenyl)propanamide O=C(Nc1cccc(N)c1)CC Tox21_301647 -NCGC00255346-01 196729137 tox21-ror-cho-viability-p1 set3 4 8.6349217992 20.408418268 -7.908418268 12.5 3.0654483358 0.6718849673 0.05173652 1.54718865 -2.24483948 -13.34463017 0.27933364 -9.12869484 -17.42368189 -15.96213143 -4.53827978 -9.36091014 -11.39511724 -3.92633539 -1.51817451 16.20431077 11.46131611 9.34171873 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-65-6 61571 144212116 A F N,N-Diethylcyclohexylamine CCN(CC)C1CCCCC1 Tox21_301799 -NCGC00256248-01 196729146 tox21-ror-cho-viability-p1 set3 4 48.5577336745 -15.35649464 -1 -16.35649464 3.5117481694 0.3628561373 0.3076435705 -1.0057493 -0.26145545 -1.31486589 -7.42613281 -5.84910124 1.62212223 8.85756683 -6.39698536 5.62888514 -5.80724422 -7.21887247 2.11653961 4.80130063 -7.35910937 -14.8804122 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25804-49-3 117640 144211565 A A tert-Butyl 4-hydroxybenzoate Oc1ccc(cc1)C(=O)OC(C)(C)C Tox21_301248 -NCGC00258228-01 196729540 tox21-ror-cho-viability-p1 set3 4 0 -7.27432723 0.90647356 -22.17319824 -0.26482449 0 -9.10073215 -1.95771359 -0.58260013 -2.64913959 0 0 -9.55922553 -6.20106659 0.85876853 1.1469999999E-9 2.566E-9 5.7369999999E-9 1.2829999999E-8 2.868E-8 6.414E-8 1.434E-7 3.2069999999E-7 7.1709999999E-7 0.000001603 0.000003585 0.000008017 0.00001793 0.00004009 0.00008964 79-29-8 6589 144207872 FNS 2,3-Dimethylbutane CC(C)C(C)C Tox21_200674 -NCGC00168265-02 196704598 tox21-ror-cho-viability-p1 set1 4 1.30560164 1.559104 0.79188654 -0.14265272 0.33074821 4.2095443 -1.2612419 -3.35116462 -2.23251948 -4.134018 -2.25111479 0.42257285 -1.01844731 -0.10900678 -4.50581994 2.8909999999E-9 6.464E-9 1.4449999999E-8 3.232E-8 7.227E-8 1.616E-7 3.614E-7 8.08E-7 0.0000018069999999 0.0000040399999999 0.000009034 0.0000202 0.00004517 0.000101 0.0002259 50-37-3 5761 144206425 A A Lysergide CCN(CC)C(=O)[C@@H]2C=C1c3cccc4ncc(C[C@H]1N(C)C2)c34 Tox21_112872 -NCGC00015004-13 196704205 tox21-ror-cho-viability-p1 set1 4 11.8832183006 -4.8250028239 -0.5 -5.3250028239 4.9549173134 0.4913527655 0.1915173618 0.65283218 -2.05783822 -1.62332078 0.26993171 -0.4553545 -1.73245424 4.26242784 -2.73627877 0.1347502 -0.86378693 -0.55084392 0.37176155 -1.25370553 -6.10416902 -4.00901105 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14028-44-5 2170 170465376 A Amoxapine Clc1ccc2Oc4ccccc4N=C(c2c1)N3CCNCC3 Tox21_110064_1 -NCGC00016397-04 196704206 tox21-ror-cho-viability-p1 set1 4 -0.05774426 -1.48884 -5.39157175 -4.2031657 -0.30725967 -0.4807141 -1.23838453 -0.33920732 -1.41799291 -1.70082993 -3.34404628 1.07576316 -0.63747468 0.29957504 -1.39945455 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 132-69-4 65464 170465576 A Benzydamine hydrochloride Cl.CN(C)CCCOc3nn(Cc1ccccc1)c2ccccc23 Tox21_110420_1 -NCGC00090757-06 196704611 tox21-ror-cho-viability-p1 set1 -2.1 16.7854920005 -95.9671419875 1.25593798 -94.7112040075 1.9673362061 0.9972586161 0 1.07218819 -0.42112142 -0.00305443 0.96500439 0.68718866 0.82437008 0.18414246 3.43283868 3.47678686 1.85362278 1.01619832 -5.92012572 -19.2706798 -56.0517682 -83.96383334 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 148-82-3 460612 170464727 A Melphalan O=C(O)[C@@H](N)Cc1ccc(cc1)N(CCCl)CCCl Tox21_111010_1 -NCGC00090986-03 196699650 tox21-ror-cho-viability-p1 set1 -2.2 61.5037543138 -67.0373686912 -0.974930656 -68.0122993472 2.9022712143 0.9777706835 8.75E-8 -4.40885813 -0.50705527 0.15599345 0.52500454 0.80240155 -3.3858992 -3.11186081 0.93386127 2.4672616 -0.11265011 -1.23905632 -4.24926675 -4.72149977 -16.69805424 -52.28204496 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00254121-01 196698817 tox21-ror-cho-viability-p1 set1 4 1.19239256 -2.41697492 4.31438721 3.21114153 1.43163902 3.5249702 1.68984338 3.26180111 5.50397397 -0.12741304 -0.3484803 1.81977234 1.16948509 3.12076014 -3.31649709 1.032E-9 2.308E-9 5.161E-9 1.154E-8 2.5809999999E-8 5.77E-8 1.29E-7 2.8849999999E-7 6.452E-7 0.000001443 0.0000032259999999 0.0000072129999999 0.00001613 0.00003607 0.00008065 140-64-7 8813 144210632 A A Pentamidine isethionate OCCS(=O)(=O)O.OCCS(=O)(=O)O.N=C(N)c1ccc(cc1)OCCCCCOc2ccc(cc2)C(=N)N Tox21_300312 -NCGC00255041-01 196699230 tox21-ror-cho-viability-p1 set1 4 -0.64801481 -0.26792181 0.50301122 -0.2851692 -3.75674189 -2.44276333 -0.67675099 0.0406683 5.09579385 0.74817111 1.35001461 3.69677336 -0.69963044 0.13219371 5.67803535 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 120-36-5 8427 144211460 Ac Fc Dichlorprop Clc1cc(Cl)ccc1OC(C)C(=O)O Tox21_301143 -NCGC00254669-01 196699239 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -14.297065212 1 -13.297065212 4.9549173134 0.8488138013 0.002402617 -1.49010027 1.44801985 -0.30491243 0.93830747 0.3056828 3.10612784 1.31249933 0.2144315 -1.20463986 1.75148614 2.0712625 1.69980051 0.6236561 0.88343362 -10.66422101 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 145701-21-9 3081304 144211082 A A Diclosulam Clc3cccc(Cl)c3NS(=O)(=O)c1nc2cc(F)nc(OCC)n2n1 Tox21_300765 -NCGC00254902-01 196699655 tox21-ror-cho-viability-p1 set1 4 0.4327712569 -4.189155176 1 -3.189155176 4.9549173134 0.3973891128 0.2948485386 1.29006182 0.93977714 1.39912951 -0.37563008 -0.7486368 0.48382378 2.60170451 0.67177432 -5.20328896 -4.36987499 -0.97526111 0.09386198 -8.07429598 0.82359907 0.1079928 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10043-35-3 7628 144211317 A Boric acid OB(O)O Tox21_301000 -NCGC00254887-01 196700054 tox21-ror-cho-viability-p1 set1 4 -0.32076909 3.51611269 -1.81293722 1.06707296 -0.58755452 2.30809417 -0.28181782 -1.3392698 -0.12239237 -3.59052668 2.28688901 -0.68215159 -0.26429447 0.94074682 2.0978088 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 544-40-1 11002 144211302 AC Fns Dibutyl sulfide CCCCSCCCC Tox21_300985 -NCGC00254872-01 196700062 tox21-ror-cho-viability-p1 set1 4 0.69599114 2.00491991 1.0272659 1.31016063 -0.57601675 -0.00215056 -0.45677079 4.43864941 1.27450486 1.48539621 0.52339436 -1.69195086 1.22068087 1.57924476 4.41511035 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18031-40-8 2724159 144211286 I (S)-4-Isopropenyl-1-cyclohexene-1-carboxaldehyde CC(=C)[C@@H]1CC=C(C=O)CC1 Tox21_300969 -NCGC00254187-01 196700066 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -10.591484092 0 -10.591484092 4.9549173134 0.4308167301 0.2455777279 -1.01188741 -1.37506995 0.85140709 1.24003252 2.79504903 -1.30661792 -0.81646654 0.57966927 -7.04881604 -0.17782804 0.48315105 1.75784443 2.05627915 1.47008669 -7.99290341 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-54-2 7564 144210347 A C N-Phenyl-1,4-benzenediamine Nc2ccc(Nc1ccccc1)cc2 Tox21_300027 -NCGC00249906-01 196705179 tox21-ror-cho-viability-p1 set1 4 -5.34657698 -1.16910698 -5.49082573 -7.13799344 -5.14021182 -0.52904797 -5.21155213 -1.1786488 1.60241775 -6.87090603 -5.86735627 -0.77697198 -5.25182891 -0.33927636 -5.64624926 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13912-80-6 14866 170465989 A A Nicoboxil O=C(OCCOCCCC)c1cccnc1 Tox21_113682 -NCGC00016834-07 196705193 tox21-ror-cho-viability-p1 set1 4 0.0066824247 -5.2851981679 2 -3.2851981679 1.78848746 0.501994643 0.1967410394 0.12372803 4.64289812 -0.43823223 -1.02560985 -0.59509859 -4.23770203 -4.89460439 -5.74622077 0.10692327 -2.52626887 -6.48766514 -1.79593681 -3.30951572 -1.69804158 -0.69976993 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 36330-85-5 3335 170465799 A Fenbufen O=C(CCC(=O)O)c1ccc(cc1)c2ccccc2 Tox21_110638_1 -NCGC00260148-01 196703134 tox21-ror-cho-viability-p1 set1 -1.1 0.0968854161 -76.9387255608 -7.7516961979 -84.6904217587 3.0654483358 0.9663815839 9.237E-7 -7.89232956 -5.69328448 -18.58959511 -6.88200255 -4.96860522 -19.42594047 -72.6140576 -85.68056029 -79.53012482 -75.33129498 -71.30042533 -89.08708836 -90.99748586 -90.20555498 -92.86230456 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 900-95-8 16682804 144209798 Ac Ac Triphenyltin acetate CC(=O)O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3 Tox21_202600 -NCGC00257849-01 196702720 tox21-ror-cho-viability-p1 set1 4 0.001954763 10.512093232 -10.012093232 0.5 4.9549173134 0.3556227487 0.3160919282 -9.17674436 -1.17991067 2.01364899 1.26951262 -1.06076386 -2.50049412 1.30952083 -3.05156847 -4.41794172 -0.78885459 2.40139605 3.97082327 -5.69566938 5.61357032 4.86720828 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.33E-7 7.445E-7 0.000001665 0.0000037229999999 0.000008324 0.00001861 0.00004162 0.00009306 15121-84-3 27054 144207493 A A 2-(2-Nitrophenyl)ethanol O=[N+]([O-])c1ccccc1CCO Tox21_200295 -NCGC00260579-01 196703125 tox21-ror-cho-viability-p1 set1 4 -0.55211125 -0.58598381 -4.67911358 -0.10366113 -9.3730235 -1.20082631 -0.06883105 -2.21053364 -0.10496078 -5.81354826 -7.97697307 -0.75981499 -5.27454017 3.71565272 -0.54599963 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49475 144210232 M M NTP Mix56 CT1 3-EQP Tox21_203034 -NCGC00260257-01 196703132 tox21-ror-cho-viability-p1 set1 4 3.76063096 0.38454328 3.74242209 -2.22567262 0.08397177 1.97762746 1.90778756 6.43729342 -0.25453028 2.38197204 2.76994658 -0.08426638 4.82558478 -1.09060802 1.67935069 1.1689999999E-9 2.615E-9 5.8469999999E-9 1.3069999999E-8 2.9229999999E-8 6.537E-8 1.462E-7 3.268E-7 7.308E-7 0.0000016339999999 0.0000036539999999 0.0000081709999999 0.00001827 0.00004086 0.000091349999999 327022-58-2 60196395 144209907 A A 1-Methyl-1-propylpyrrolidinium hexfluorophosphate C[N+]1(CCC)CCCC1.F[P-](F)(F)(F)(F)F Tox21_202709 -NCGC00260503-01 196703141 tox21-ror-cho-viability-p1 set1 4 21.6899429044 -13.377757324 2.5 -10.877757324 1.8079476909 0.5465556808 0.1554735595 -3.41938575 3.20723057 -0.21703591 0.40153463 1.63204694 3.1335487 2.88993794 5.52028611 8.09934021 1.64357489 1.46894262 0.21333015 -2.76917587 -7.81479777 1.92333031 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.299E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.00001844 0.00004124 0.00009222 2735-04-8 17652 144210155 A A 2,4-Dimethoxyaniline Nc1ccc(cc1OC)OC Tox21_202957 -NCGC00260306-01 196703537 tox21-ror-cho-viability-p1 set1 4 0.16116377 3.33346506 2.14966926 -4.98606457 -5.44204898 -4.22399504 -6.20511033 -0.0233303 -1.07412138 0.0381594 0.1579359 0.88682867 -5.62132339 -0.72545981 4.58348246 2.602E-10 5.8189999999E-10 1.301E-9 2.9099999999E-9 6.506E-9 1.455E-8 3.253E-8 7.274E-8 1.627E-7 3.637E-7 8.133E-7 0.0000018189999999 0.000004066 0.000009093 0.000020329999999 92-94-4 7115 144209957 A 1,1':4',1''-Terphenyl c1cc(ccc1)c2ccc(cc2)c3ccccc3 Tox21_202759 -NCGC00357133-01 196703548 tox21-ror-cho-viability-p1 set1 4 1.26407234 -6.30413758 -0.61703463 5.62895603 -3.77163746 -4.42772022 -4.32402503 7.93702249 1.55614248 0.03764071 6.07323045 3.84070519 -6.77382061 4.5431686 7.20670226 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1489-69-6 123114 251919872 F Cyclopropanecarboxaldehyde O=CC1CC1 Tox21_303871 -NCGC00260475-01 196703549 tox21-ror-cho-viability-p1 set1 4 54.4826732819 -16.6175389119 2 -14.6175389119 1.692447691 0.4870117748 0.1908560179 -2.41278459 4.74710755 -4.93531715 6.55526384 0.00066867 0.18041092 7.85160258 4.42117841 -1.51158948 3.04106381 2.89673829 0.84413808 -1.32320955 -2.86991536 -10.51461576 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.299E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.00001844 0.00004124 0.00009222 552-89-6 11101 144210127 A A 2-Nitrobenzaldehyde O=[N+]([O-])c1ccccc1C=O Tox21_202929 -NCGC00260243-01 196703550 tox21-ror-cho-viability-p1 set1 -1.2 1.5230463988 -29.2199720951 -3 -32.2199720951 1.331 0.9098191341 0.0001911849 0.22300543 0.93783269 -4.30449412 -1.3297271 -11.60243674 -7.32538767 0.03835546 -6.8447025 -8.84556852 -17.47663643 -24.73284842 -36.77775194 -31.52150415 -27.59139477 -30.29824876 1.172E-9 2.6199999999E-9 5.859E-9 1.31E-8 2.929E-8 6.55E-8 1.465E-7 3.275E-7 7.324E-7 0.0000016379999999 0.000003662 0.000008188 0.00001831 0.00004094 0.00009154 1906-79-2 15927 144209893 D 1-Ethylpyridinium bromide [Br-].CC[n+]1ccccc1 Tox21_202695 -NCGC00164164-02 196703950 tox21-ror-cho-viability-p1 set1 4 -0.8135415 1.9620708 5.58023578 1.30500849 -2.65012704 3.32343149 -0.06160165 3.55042983 2.95910652 0.6406006 0.83492301 0.79675821 4.06279675 0.26415781 6.34418228 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00257696-01 196703961 tox21-ror-cho-viability-p1 set1 4 -5.3091665 0.76227318 1.74796421 0.20500621 -0.09384211 -0.06931543 -2.03701333 -3.19542249 -2.26312901 1.44665544 -0.00966565 0.07130638 -4.70692884 3.20157481 0.24631938 1.1739999999E-9 2.625E-9 5.871E-9 1.3129999999E-8 2.9349999999E-8 6.564E-8 1.468E-7 3.282E-7 7.338E-7 0.000001641 0.000003669 0.000008204 0.00001835 0.00004102 0.00009173 85-44-9 6811 144207340 A A Phthalic anhydride O=C1OC(=O)c2ccccc12 Tox21_200142 -NCGC00255493-01 196710461 tox21-ror-cho-viability-p1 set2 4 -2.89917466 -0.11203746 -0.36104073 -1.05343731 0.56143442 -11.88740538 -8.36330533 -9.35231792 -1.47781856 0.01207693 -0.48607314 -9.553584 -2.98754658 -4.13913723 -4.90964119 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-01-4 6867 144211851 A A 7-(Dimethylamino)-4-methylcoumarin CN(C)c1ccc2c(c1)OC(=O)C=C2C Tox21_301534 -NCGC00183858-01 196713764 tox21-ror-cho-viability-p1 set2 4 1.2990017229 -9.721162412 0 -9.721162412 0.8999999999 0.7882827748 0.0102386218 -0.83157144 3.27460652 -2.28271115 -0.67818533 1.79545225 -0.97796766 0.26659635 -1.45393282 -1.37661543 -4.15091941 -1.41743044 -5.42067313 -10.18430201 -6.76409466 -8.9370572 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 132810-10-7 125564 144206818 A A Blonanserin CCN1CCN(CC1)c3cc(c2ccc(F)cc2)c4CCCCCCc4n3 Tox21_113267 -NCGC00092377-04 196713765 tox21-ror-cho-viability-p1 set2 4 1.45431192 1.34018789 2.60419828 1.85139431 3.2437456 0.53519687 0.47948474 2.07633531 2.42159402 0.89973875 0.45097473 0.66063284 0.97395122 0.86369723 1.48216566 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 105219-56-5 65889 170466052 A Apafant Clc1ccccc1C4=NCc2nnc(C)n2c3sc(cc34)CCC(=O)N5CCOCC5 Tox21_113594_1 -NCGC00162132-03 196713773 tox21-ror-cho-viability-p1 set2 4 0.0016785492 -17.840715228 17 -0.840715228 0.6999999999 0.8321538916 0.0037847425 13.00026888 6.79129677 7.62410993 0.92729948 6.8513919 0.88290724 -0.61073168 0.06704685 -0.78716566 -1.63615975 0.63929337 -0.6999879 -0.17072328 -0.76447423 -2.36726269 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1421-65-4 10131132 170466253 Z Methyl L-DOPA hydrochloride Cl.Oc1ccc(C[C@H](N)C(=O)OC)cc1O Tox21_111221_1 -NCGC00256157-01 196710056 tox21-ror-cho-viability-p1 set2 4 0.56842647 9.86947141 6.63254517 3.47879425 4.53984764 5.54188193 0.10579275 1.61047294 1.2915661 1.51571673 1.57403131 1.51619939 0.38470827 1.49987404 3.03095756 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52126-51-9 23695324 144211804 A Fc Sodium 5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate [Na+].O=S(=O)(O)c1ccc(cc1)N2N=C(CC2=O)C([O-])=O Tox21_301487 -NCGC00256190-01 196710451 tox21-ror-cho-viability-p1 set2 4 3.48583162 3.81694569 1.87044401 -1.12830708 1.44363826 0.36412991 0.69267741 -0.91406684 -1.54604961 0.22685314 3.72624796 3.63093864 -1.37150019 0.37278527 2.00172442 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67953-08-6 21118222 144212556 A A N2-(4-Nitrophenyl)-L-glutamine hydrochloride Cl.O=C(O)[C@H](CCC(N)=O)Nc1ccc(cc1)[N+]([O-])=O Tox21_302239 -NCGC00255250-01 196710457 tox21-ror-cho-viability-p1 set2 -2.4 21.6899429044 -33.21780992 1 -32.21780992 0.6999999999 0.9477946389 0.0000106846 -0.2143916 2.26944757 0.8036763 2.1114475 0.83554343 0.07619493 -0.60148647 -0.33590285 -0.55876048 -8.09234534 -7.92986097 -7.73459353 -11.86418268 -22.37505108 -23.5148416 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 54965-21-8 2082 144212617 A A Albendazole O=C(OC)Nc1nc2cc(ccc2n1)SCCC Tox21_302300 -NCGC00095042-06 196710463 tox21-ror-cho-viability-p1 set2 4 1.49822905 3.26858786 2.19005203 3.10986619 2.0947402 3.45145721 1.15324398 -0.09660971 -0.21503727 0.36287557 0.28825256 -0.07352691 1.23241359 0.91528963 2.07856074 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00255602-01 196710472 tox21-ror-cho-viability-p1 set2 4 4.04938956 3.67788249 3.37923929 2.33100863 0.67665159 1.61112257 -1.16451946 0.75661321 1.82744574 0.28967094 2.37561993 1.21979928 0.54323817 2.49099578 1.8735887 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 619-65-8 12087 144212437 A A 4-Cyanobenzoic acid OC(=O)c1ccc(C#N)cc1 Tox21_302120 -NCGC00091632-02 196710871 tox21-ror-cho-viability-p1 set2 4 0.38086391 -2.6642916 0.03723603 0.70273339 -0.84745842 -0.92546414 -1.12149001 -0.32639799 -0.44204118 -0.71781315 -1.38643337 -2.78801882 -3.13044825 -2.48317971 -7.05902047 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00255116-01 196710873 tox21-ror-cho-viability-p1 set2 4 0.0018055664 9.8309114959 -9.3309114959 0.5 4.5044702849 0.7119011974 0.0342827601 -7.77575958 -0.78959143 -0.39527236 -1.59155614 -1.26541588 -0.26279611 -0.23214822 -0.5521303 -0.00369776 0.77784173 0.13201322 1.20558759 1.14730287 0.37320896 4.05440719 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 NOCAS_47796 712 144212755 FNS Formalin C=O Tox21_302438 -NCGC00090773-04 196710875 tox21-ror-cho-viability-p1 set2 4 0.46635199 0.13005257 1.09017551 0.92081193 0.88678028 -0.15722833 -0.47929926 -1.94420473 -1.97148074 -1.38444407 0.28230861 0.85025195 -1.06565647 1.07653257 -0.92757723 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00254609-01 196714967 tox21-ror-cho-viability-p1 set2 4 -1.20040435 -1.91151021 2.07426061 0.35324129 -2.91831578 -3.25882055 -3.32206234 -0.08690922 -2.35576922 -4.37187443 -7.19709764 -2.12087467 -4.55378637 -0.82649548 -3.18133139 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27314-13-2 33775 144211018 A A Norflurazon FC(F)(F)c1cc(ccc1)N2N=CC(NC)=C(Cl)C2=O Tox21_300701 -NCGC00254379-01 196714537 tox21-ror-cho-viability-p1 set2 4 10.8707224818 -9.8795058439 1.5 -8.3795058439 1.9673362061 0.7895015848 0.0099711641 -0.28134308 -0.07603578 2.3605611 2.82693224 -0.52445767 2.43306471 1.21471388 0.75087447 2.98643152 1.29893728 0.47499795 1.11901441 -10.31625487 -6.26072315 -7.7742663 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 353280-07-6 9865929 144210763 A A CP-612372 CC(C)(O)c1ccc(cc1)CNC(=O)c4cccnc4Oc2ccc3nonc3c2 Tox21_300445 -NCGC00254484-01 196714955 tox21-ror-cho-viability-p1 set2 4 0.90595709 1.33414518 -0.35290886 -0.58444392 1.17176889 -0.15179021 0.82121511 0.59837326 0.8040273 0.57365178 1.21784915 2.83942364 0.49384284 2.01433731 3.64495853 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-11-5 8091 144210874 A Fns Methyl octanoate O=C(CCCCCCC)OC Tox21_300557 -NCGC00254656-01 196714958 tox21-ror-cho-viability-p1 set2 4 0.93573251 0.65300541 -0.00725356 -0.88050622 0.98229607 2.15053819 1.09855319 1.26790513 -0.7647766 -0.7887041 -7.70464324 6.19230504 0.51857541 -6.54159707 -0.29958146 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10217-34-2 154915 144211068 F Triethoxy[2-(7-oxabicyclo[4.1.0]hept-3-yl)ethyl]silane CCO[Si](CCC1CC2OC2CC1)(OCC)OCC Tox21_300751 -NCGC00257782-01 196715366 tox21-ror-cho-viability-p1 set2 -2.4 24.3365162115 -28.23314792 3 -25.23314792 2.9022712143 0.9793729145 5.7E-8 1.44006918 5.64614337 0.93989552 2.01341717 4.33020656 2.02397463 0.94820255 3.25071718 3.64971243 4.09285403 3.2764526 1.77954572 -5.79366577 -20.72384218 -24.3609566 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 99-93-4 7469 144207426 A A 4-Hydroxyacetophenone O=C(C)c1ccc(O)cc1 Tox21_200228 -NCGC00013683-06 196712895 tox21-ror-cho-viability-p1 set2 4 26.6032120037 -19.474294636 2 -17.474294636 2.0437424601 0.9094828882 0.0001983887 3.55014334 3.27847649 2.82909751 3.49754238 0.55442616 1.34238819 3.8961714 0.73966781 1.50304106 0.24954881 -0.1549392 1.27096617 -0.28748712 -4.60711464 -12.89524553 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 113-59-7 667466 170465069 A Chlorprothixene CN(C)CC\C=C1/c3ccccc3Sc2ccc(Cl)cc12 Tox21_110032_1 -NCGC00095911-06 196712498 tox21-ror-cho-viability-p1 set2 4 -0.95611055 0.56563334 -0.68589996 1.53079452 3.11338924 1.24488403 1.98900368 -0.02819972 -1.55305689 0.11360916 0.56226718 -1.18858328 -2.65428196 -6.44513422 -1.24427994 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 111974-69-7 5002 170465146 A Quetiapine OCCOCCN1CCN(CC1)C3=Nc4ccccc4Sc2ccccc23 Tox21_111537_1 -NCGC00178252-05 196712500 tox21-ror-cho-viability-p1 set2 4 -1.8424156 -0.30755829 -1.07367938 -1.10022941 -2.55727973 1.10331931 0.89914147 -0.26062878 -0.62784815 -3.43016925 -2.44340754 -0.73484915 -3.20245516 0.94475349 -0.02797618 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 548-66-3 92806 170466082 A Drofenine hydrochloride Cl.CCN(CC)CCOC(=O)C(c1ccccc1)C2CCCCC2 Tox21_111350_1 -NCGC00016418-15 196712501 tox21-ror-cho-viability-p1 set2 4 1.00735112 -0.61576487 3.27776983 2.70826252 -0.48055415 1.02578018 2.81799856 -1.48933762 3.35747522 0.706742 3.00789118 0.95761509 3.70015401 0.03923264 -0.91225984 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 298-81-7 4114 170465041 A Methoxsalen COc1c3occc3cc2C=CC(=O)Oc12 Tox21_110432_1 -NCGC00016889-06 196712901 tox21-ror-cho-viability-p1 set2 4 0.0298492948 -10.3217161519 0 -10.3217161519 0.9999999999 0.6413756768 0.0696168958 -0.67392196 -1.09947513 1.19232987 -1.18352982 -7.34662115 -5.83140057 -1.09110266 -9.53036605 -16.93476346 -11.08757797 -7.53127598 -9.68721781 -8.7070343 -10.69681569 -8.78612785 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59804-37-4 54677971 170465677 A Tenoxicam OC=2c1sccc1S(=O)(=O)N(C)C=2C(=O)Nc3ccccn3 Tox21_110666_1 -NCGC00160653-03 196712903 tox21-ror-cho-viability-p1 set2 4 2.47684729 0.82517573 -0.83873325 -1.38633528 0.36558184 1.79919489 -2.04167302 -3.08242661 -2.18560429 -3.1748181 2.50305198 -0.48305936 -2.7252843 -1.87192211 0.66366058 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3567-08-6 234310 170466260 A Glysobuzole O=S(=O)(Nc1nnc(CC(C)C)s1)c2ccc(OC)cc2 Tox21_111959_1 -NCGC00163903-03 196713310 tox21-ror-cho-viability-p1 set2 4 -2.64496616 -2.53041331 3.25506076 -3.43736899 -6.17670031 -6.1949017 -3.5227966 -0.73094149 -5.262126 -6.13844381 1.78162566 -9.80886118 -7.59887806 -3.93384314 -2.83647158 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00024715-05 196713328 tox21-ror-cho-viability-p1 set2 4 0.0211316824 -7.523825068 1 -6.523825068 4.9549173134 0.4025672843 0.286313489 0.42681234 1.62182499 -0.17200999 1.0749218 2.82596205 0.04850821 -1.40466968 0.58147394 -8.48009022 -8.94050613 -0.44307024 -2.1636167 -19.18652089 -1.18479911 -2.64377159 5.899E-11 1.319E-10 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 74-79-3 6322 170465748 F L-Arginine N[C@@H](CCCNC(=N)N)C(=O)O Tox21_113046_1 -NCGC00249898-01 196723472 tox21-ror-cho-viability-p1 set3 4 9.18982278 -7.97680971 3.76343736 5.70387485 2.11959553 2.37652726 0.40146149 0.27116018 0.16095446 -1.7636407 9.44024862 6.72517392 6.72244434 -3.48526595 1.38155282 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 81632-85-1 23664290 170465549 Ac F Sodium 3, 4-dimethylphenyl-glyoxylate [Na+].Cc1ccc(cc1C)C(=O)C([O-])=O Tox21_113674 -NCGC00164593-02 196723069 tox21-ror-cho-viability-p1 set3 4 0.67019228 1.26798121 -1.20458495 1.54728692 -1.32562214 -1.497133 0.14791723 -0.68624307 -1.17782811 1.1046084 -0.70660567 -6.44951325 -5.94391196 -2.48519122 9.26993643 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 76420-72-9 37888454 170464938 A Enalapril acid OC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N[C@H](CCc1ccccc1)C(=O)O Tox21_113430_1 -NCGC00093976-08 196723475 tox21-ror-cho-viability-p1 set3 -2.1 26.6032120037 -106.8047455066 2.2639889149 -104.5407565917 3.2474983358 0.9830630762 1.81E-8 1.64907644 0.82448149 1.19374819 0.48574348 -0.18912819 0.49944868 3.39467313 -4.53078739 7.86840332 8.00903684 3.65390663 5.76367362 -1.91629326 -30.23564636 -89.35107401 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57852-57-0 636362 170464627 F Idarubicin hydrochloride Cl.CC(=O)[C@@]4(O)C[C@H](O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1)c5c(O)c3C(=O)c2ccccc2C(=O)c3c(O)c5C4 Tox21_111236_1 -NCGC00249938-01 196723479 tox21-ror-cho-viability-p1 set3 4 0.9752567 -2.39737101 11.46516429 5.6935256 2.51632256 -1.40908423 4.1159348 5.72489088 -0.24577163 1.58776892 2.736984 0.08516805 3.47598532 -2.86368315 -3.10673771 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3459-20-9 23691021 170465939 A F Glymidine sodium [Na+].O=S(=O)([N-]c1ncccn1)c2cc(OCCOC)ccc2 Tox21_113714 -NCGC00018243-09 196723487 tox21-ror-cho-viability-p1 set3 4 -0.14764334 1.12572753 -20.55290678 1.84605107 -1.58873487 -25.45957556 -0.69315586 -3.21456194 1.47433826 -1.05144527 0.59061102 -0.03309699 -5.72634052 -2.69444265 -2.04124022 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-68-1 5327 170464893 A Sulfamethazine O=S(=O)(Nc1nc(C)cc(C)n1)c2ccc(N)cc2 Tox21_110847_1 -NCGC00257823-01 196723897 tox21-ror-cho-viability-p1 set3 4 0.05219775 9.30874081 5.75208637 -2.74552488 -2.27324549 5.30691301 -1.69003786 1.75445909 3.09814778 3.62611618 -1.76325092 -3.15559008 0.86001285 3.99201333 4.98591641 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.0000016719999999 0.0000037379999999 0.000008358 0.00001869 0.00004179 0.00009344 102-08-9 700999 144207467 A A Thiocarbanilide S=C(Nc1ccccc1)Nc2ccccc2 Tox21_200269 -NCGC00257522-01 196720642 tox21-ror-cho-viability-p1 set3 4 7.47747991 1.09217551 -3.52890034 4.47636213 10.26869379 0.23719687 1.26730308 -0.23772263 0.47237313 19.65193802 2.48644544 8.73575296 0.90728321 0.90991609 -6.21943635 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-33-5 5280567 144211232 A A 4-Methylumbelliferone Oc1ccc2c(c1)OC(=O)C=C2C Tox21_300915 -NCGC00254095-01 196720241 tox21-ror-cho-viability-p1 set3 4 1.6987411 0.00343237 0.84643729 5.77002307 5.86715112 4.0530819 6.02443736 1.36457746 4.5501281 -1.34212775 -1.72233958 1.02252723 3.54832608 1.72968406 2.22607858 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 54-11-5 89594 144210494 A Ac Nicotine CN2CCC[C@H]2c1cnccc1 Tox21_300174 -NCGC00254270-01 196720242 tox21-ror-cho-viability-p1 set3 -2.4 61.130564862 -36.827645628 -4 -40.827645628 3.1319983358 0.9559822132 0.249084243 -12.36015392 -16.49943821 -7.20588995 -7.00337026 -14.82518072 -10.77907287 -9.64162261 -6.78384 -7.0226422 -2.99391161 0.41332029 -2.59472168 -8.68539985 -10.96432778 -33.18970469 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2687-96-9 62459 144210692 A A 1-Dodecyl-2-pyrrolidinone O=C1CCCN1CCCCCCCCCCCC Tox21_300374 -NCGC00090874-04 196720246 tox21-ror-cho-viability-p1 set3 4 39.0419505009 -14.051376764 5 -9.051376764 1.8579476909 0.5378273017 0.1462241227 7.62168447 5.88277965 -0.76376681 4.43013542 4.94159727 13.16395989 1.47323785 2.58074529 3.51230532 6.79088228 5.05844667 6.77934035 0.08772548 -0.5736956 -7.54281397 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00254920-01 196720656 tox21-ror-cho-viability-p1 set3 4 0.0968854161 13.53703424 -14.03703424 -0.5 3.5117481694 0.8900525768 0.0005176746 -14.26460585 -12.72491705 -8.78797162 -19.6141952 -15.75353409 -11.25664347 -2.15218968 -1.18664728 -2.5903583 -1.300276 -0.21668857 -1.26363917 0.7137386 -0.35900683 1.32113227 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 532-02-5 23661868 144211335 A A Sodium 2-naphthalenesulfonate [Na+].[O-]S(=O)(=O)c1ccc2ccccc2c1 Tox21_301018 -NCGC00168342-02 196720664 tox21-ror-cho-viability-p1 set3 4 -4.26465157 -10.02698223 -0.88062707 0.50540879 -4.1560424 -2.73586958 -0.18493228 -4.50069548 -0.08027114 0.25504451 3.42524211 -23.42524606 -0.17868583 -4.84500061 -15.0258068 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00259869-01 196721069 tox21-ror-cho-viability-p1 set3 -2.1 54.2611240406 -97.107642906 -2.99734175 -100.104984656 3.0654483358 0.9790383241 6.23E-8 -3.50645204 -2.07144488 -1.66009739 6.13339685 -2.41321326 -6.77630343 -7.12143258 -7.31782895 -3.48381993 -2.06956531 -3.1239068 -1.88687438 -5.59999909 -32.88136592 -83.84002065 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.4699999999E-7 3.2859999999E-7 7.3479999999E-7 0.000001643 0.000003674 0.0000082159999999 0.00001837 0.00004108 0.00009185 96-76-4 7311 144209518 A A 2,4-Di-tert-butylphenol CC(C)(C)c1cc(ccc1O)C(C)(C)C Tox21_202320 -NCGC00357094-01 196724557 tox21-ror-cho-viability-p1 set3 -2.2 30.6378586933 -53.8346227734 -3.842321523 -57.6769442964 2.4063783767 0.9261664306 0.0000679909 -12.70319103 -10.75880688 -2.05010418 -2.92802593 -9.30046667 1.48796365 -0.76890243 -0.85172455 -0.0136551 -4.53655265 1.87719141 -7.72108335 -16.41392627 -37.91696257 -56.54602382 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2648-61-5 72870 251919892 F 2,2-Dichloro-1-phenylethanone O=C(C(Cl)Cl)c1ccccc1 Tox21_303816 -NCGC00255825-01 196727800 tox21-ror-cho-viability-p1 set3 1.1 4.8557733675 67.8362168987 1.2740298565 69.1102467552 1.4641 0.9910678484 4E-10 -1.42732165 -3.8261825 2.11398662 2.11581034 4.55767909 3.3526647 2.69880499 3.34387975 6.06813788 12.58868461 30.31211753 45.67225847 63.36262635 68.86484037 64.16611801 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1541-81-7 73764 144211553 A Fc 4-Dodecylmorpholine CCCCCCCCCCCCN1CCOCC1 Tox21_301236 -NCGC00255602-01 196727801 tox21-ror-cho-viability-p1 set3 4 1.51576901 0.00213198 1.31591776 -1.29239823 -6.38176919 -0.41079016 6.57464885 3.29048366 -1.88580403 3.77542504 -1.79964334 4.35463924 2.78800786 0.66199724 -0.92385365 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 619-65-8 12087 144212437 A A 4-Cyanobenzoic acid OC(=O)c1ccc(C#N)cc1 Tox21_302120 -NCGC00094717-06 196725374 tox21-ror-cho-viability-p1 set3 4 0.0211316824 12.791275544 -3.791275544 9 1.21 0.4210595779 0.2682448939 -4.80197679 -1.06201767 -5.24272962 -0.43464164 4.91336511 -0.90731641 7.45410403 12.24343857 3.62082651 12.54302049 20.55948856 14.85130378 4.11277922 -4.73856854 -20.28955124 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-44-2 667490 170464985 A 6-mercaptopurine S=C2NC=Nc1ncnc12 Tox21_111158_1 -NCGC00260440-01 196724967 tox21-ror-cho-viability-p1 set3 4 -4.9511794 1.83940774 1.38206929 0.8528115 10.54795559 4.93169417 -3.79473168 8.17551522 -0.92162569 -0.66050779 -4.0666064 -1.81654186 2.19485297 -0.80087561 -9.73205277 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.962E-8 6.622E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 480-22-8 10187 144210092 F F 1,8,9-Trihydroxyanthracene Oc2c3c(cc1cccc(O)c12)cccc3O Tox21_202894 -NCGC00356986-01 196724973 tox21-ror-cho-viability-p1 set3 4 9.28505396 2.46930205 8.68304245 9.62247514 -1.46474076 -1.09022688 0.08181271 2.31312324 -0.71752269 -1.21312958 -3.21566866 -1.24709406 11.04305187 10.71315692 11.33061641 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109293-97-2 6125184 251919719 F Diflufenzopyr Fc1cc(cc(F)c1)NC(=O)N\N=C(/C)c2ncccc2C(=O)O Tox21_303700 -NCGC00163927-04 196725379 tox21-ror-cho-viability-p1 set3 4 -2.72772125 -10.13511019 -3.11870041 -0.40300659 -3.3761938 1.99082576 0.1142758 0.45278029 -3.97877491 -7.76020304 -4.01962477 2.8062347 0.25655124 0.11085829 -5.16318609 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00244579-01 196725389 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -61.5154494175 5 -56.5154494175 4.9549173134 0.9528437617 0.0000061019 1.49417973 6.55857061 3.16324134 3.35834995 7.26099593 7.92248259 4.85699199 3.03185547 9.1841716 7.19381662 9.06518151 -1.04057456 4.22565435 -0.39462155 -44.84499267 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00262910-01 196725391 tox21-ror-cho-viability-p1 set3 4 0.016785492 -4.2973524799 3 -1.2973524799 3.1319983358 0.4374933832 0.2399479437 1.51998973 -1.81594981 6.62890597 5.56656465 0.64550082 -0.64442773 -1.17112362 -0.54998536 -0.52899465 -2.06281287 0.75163963 -0.12051647 -4.4144604 -1.63904625 -1.65036696 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4093-29-2 77720 170466678 A A Methyl 4-acetamido-o-anisate COc1cc(ccc1C(=O)OC)NC(C)=O Tox21_113908 -NCGC00183868-02 196725393 tox21-ror-cho-viability-p1 set3 4 -1.28976981 2.55673483 -0.73162842 0.21678455 -0.69626303 1.88679418 2.86660779 -0.41944313 10.6554476 2.04335053 -0.40643663 -0.58174607 1.31361881 8.56358019 2.59950516 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 18046-21-4 28871 170466003 A Fentiazac O=C(O)Cc1sc(nc1c2ccc(Cl)cc2)c3ccccc3 Tox21_111788_1 -NCGC00094574-15 196725395 tox21-ror-cho-viability-p1 set3 4 -2.78575224 -0.74990612 -6.41460883 -2.74604291 0.29938495 -2.28470211 0.63136172 0.88793409 -1.69091467 -2.96085546 -2.43915106 -2.28221445 -1.14931962 -5.84505284 -9.24462477 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 120068-37-3 3352 170465992 A Fipronil FC(F)(F)S(=O)c1c(N)n(nc1C#N)c2c(Cl)cc(cc2Cl)C(F)(F)F Tox21_111300_1 -NCGC00161643-05 196725793 tox21-ror-cho-viability-p1 set3 4 3.36283188 2.12032784 0.88875741 12.70986912 0 6.19717404 7.58242525 15.92674193 -0.42702404 3.53633559 7.83826041 13.90900372 8.4126956 16.49794914 -4.76718984 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 518-47-8 9885981 170464991 A Fluorescein sodium [Na+].[Na+].[O-]c4cc5Oc1cc([O-])ccc1C3(OC(=O)c2ccccc23)c5cc4 Tox21_111592_1 -NCGC00024915-04 196725798 tox21-ror-cho-viability-p1 set3 4 0.15575609 4.26286802 0.01191041 2.27441738 -2.07701926 1.45788725 -0.52600935 5.4283095 -1.00567952 12.62208442 5.08164878 2.59432771 8.54019024 4.61842489 2.27219406 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 160415-07-6 5311429 170466891 Z SCH 50911 CC1(C)NC[C@H](CC(=O)O)OC1 Tox21_110936_1 -NCGC00258738-01 196711705 tox21-ror-cho-viability-p1 set2 -2.1 61.8773215692 -91.9255096917 0.6813236339 -91.2441860578 4.5044702849 0.989945873 9E-10 -0.37615722 0.33381679 0.1720513 -0.11217383 -0.61652309 0.24553101 1.02587271 -4.48942154 2.03661086 1.64717154 4.05194852 4.42153663 0.98512717 -11.88743816 -78.76522703 1.1919999999E-9 2.6659999999E-9 5.962E-9 1.333E-8 2.981E-8 6.6649999999E-8 1.49E-7 3.3329999999E-7 7.452E-7 0.0000016659999999 0.000003726 0.000008332 0.00001863 0.00004166 0.00009315 517-28-2 320930 144208384 A A Hematoxylin Oc2cc3C[C@]4(O)COc1c(O)c(O)ccc1[C@@H]4c3cc2O Tox21_201186 -NCGC00260304-01 196711285 tox21-ror-cho-viability-p1 set2 4 -3.88113332 -2.32238049 -6.5427728 -6.6117638 -5.33779948 0 -3.33097621 -17.50817859 -10.21558516 0 -10.29077829 -13.92145185 0 -6.74371704 -1.54668878 6.034E-11 1.349E-10 3.017E-10 6.747E-10 1.5089999999E-9 3.373E-9 7.543E-9 1.6869999999E-8 3.771E-8 8.433E-8 1.8859999999E-7 4.217E-7 9.4289999999E-7 0.000002108 0.000004714 24634-61-5 23676745 144209955 A Fc Potassium sorbate [K+].[O-]C(=O)\C=C\C=C\C Tox21_202757 -NCGC00260357-01 196711288 tox21-ror-cho-viability-p1 set2 4 77.8205173746 15.425692884 0.574307116 16 0.8999999999 0.4743705864 0.2030265283 0.8470593 -4.10474407 -0.21568745 1.17037199 1.75524239 -1.8530247 4.7019511 5.19460549 -0.03505303 5.61476573 -0.87507425 1.04895239 0.3657372 6.19473577 12.17822883 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.33E-7 7.445E-7 0.000001665 0.0000037229999999 0.000008324 0.00001861 0.00004162 0.00009306 1934-75-4 4350929 144210009 A A Cyanamide,cyano-,sodium salt [Na+].N#C[N-]C#N Tox21_202811 -NCGC00260379-01 196711290 tox21-ror-cho-viability-p1 set2 4 -5.75764379 -5.11456086 -5.75899517 -11.56704757 -7.58671172 -0.7141446 0 -3.84826138 -14.21267821 -9.04773109 -14.19908747 0 0 -5.73499757 -6.90973909 1.198E-9 2.679E-9 5.991E-9 1.34E-8 2.995E-8 6.698E-8 1.4979999999E-7 3.3489999999E-7 7.4889999999E-7 0.000001675 0.000003744 0.000008373 0.000018719999999 0.000041859999999 0.000093609999999 4282-42-2 20275 144210031 F Bc Nonane,1-iodo- CCCCCCCCCI Tox21_202833 -NCGC00260288-01 196711708 tox21-ror-cho-viability-p1 set2 4 -6.72614331 -2.32579504 -2.93898622 -5.01403408 -2.8867964 0.46105673 -18.96321443 -5.50713072 -0.69220741 -0.55120975 -10.46208267 -2.10693444 0 -4.6261284 -9.25376064 6.565E-11 1.4679999999E-10 3.283E-10 7.3399999999E-10 1.641E-9 3.67E-9 8.2059999999E-9 1.835E-8 4.103E-8 9.175E-8 2.0519999999E-7 4.5879999999E-7 0.000001026 0.000002294 0.0000051289999999 127-08-2 517044 144209938 A Potassium acetate [K+].[O-]C(C)=O Tox21_202740 -NCGC00260132-01 196711709 tox21-ror-cho-viability-p1 set2 4 -7.19760011 -7.31957467 -6.37769937 -9.46629992 -3.27877579 -5.27079467 -0.65620242 -12.55117777 -12.64246053 -12.61014976 -4.19145783 4.20229043 -29.21993321 -20.43449728 -17.98632885 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.311E-7 7.405E-7 0.000001656 0.000003702 0.000008279 0.00001851 0.00004139 0.00009256 28300-74-5 16682736 144209781 F Antimony potassium tartrate trihydrate [K+].[K+].O.O.O.[O-]C(=O)C2O[Sb]3OC(C(O[Sb]1OC(=O)C2O1)C([O-])=O)C(=O)O3 Tox21_202583 -NCGC00260531-01 196712126 tox21-ror-cho-viability-p1 set2 4 0.0773503032 -26.132714976 4 -22.132714976 0.3 0.4041389943 0.2841062701 -1.63416075 -0.5937676 -4.78362359 -4.35524065 -4.064319 -21.25103974 -12.93271193 -10.84686666 0 -15.26245254 -10.40448648 -25.12721772 -28.02726248 -9.96341747 -3.07222322 1.185E-9 2.6499999999E-9 5.9249999999E-9 1.325E-8 2.9629999999E-8 6.625E-8 1.481E-7 3.312E-7 7.406E-7 0.000001656 0.0000037029999999 0.000008281 0.00001852 0.0000414 0.00009258 148-24-3 1923 144210184 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_202986 -NCGC00244579-01 196712529 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -19.3020471639 -1.5 -20.8020471639 4.9549173134 0.7962673248 0.0086978946 -0.35155628 0.15786883 -4.07657751 0.37850154 -2.51077108 -6.36278468 -0.70747762 -1.81450351 0.25982807 -1.82744877 -1.59905401 -1.20376402 -0.35103201 0.35497248 -16.50170597 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00164164-02 196712533 tox21-ror-cho-viability-p1 set2 4 0.0076958822 -11.5400808639 11 -0.5400808639 4.9549173134 0.906362183 0.0002347881 10.44001934 11.46887593 9.28209719 -0.23224142 -0.10524127 -1.54791069 -0.64201664 0.59932357 -2.53340072 0.75192523 -2.36511096 1.33233448 -1.62973204 0.89711803 2.413993 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00167438-02 196712544 tox21-ror-cho-viability-p1 set2 4 0.32557237 0.4634848 -1.32524194 -0.1117711 -0.47727839 0.89411546 0.5923819 -4.20109916 -0.90175054 0.73825637 -0.62429592 0.27895432 0.07312765 0.68496391 0.07248099 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10405-02-4 5284631 170464918 A Trospium chloride [Cl-].OC(c1ccccc1)(c2ccccc2)C(=O)O[C@@H]3C[C@@H]5CC[C@H](C3)[N+]45CCCC4 Tox21_112442_1 -NCGC00094817-05 196712549 tox21-ror-cho-viability-p1 set2 4 -2.37701324 0.9141442 0.35478953 -0.96604945 -1.65300518 -3.84124869 -2.63744881 -2.32115356 0.41292258 -2.3830301 -5.84582636 -7.95832722 0.45550783 -8.32423961 -8.3390515 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2295-58-1 3362 170465817 A Flopropione O=C(CC)c1c(O)cc(O)cc1O Tox21_111340_1 -NCGC00357085-01 196711731 tox21-ror-cho-viability-p1 set2 4 -2.12015271 -16.13247477 -6.80739008 -3.31491378 -1.1978759 -8.39606377 -9.1878912 -14.35242186 -9.96814569 -29.44395132 0 -8.50523603 0 -3.27419096 -8.74181129 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-91-1 7113 251919971 A 4'-Acetylbiphenyl O=C(C)c1ccc(cc1)c2ccccc2 Tox21_303801 -NCGC00254999-01 196714158 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -18.3990877399 2.5 -15.8990877399 4.9549173134 0.699423277 0.0386652372 2.68664408 1.95837287 6.6448398 0.38715293 0.0236224 0.04102385 -0.08926485 0.01460197 4.50412873 2.80709039 0.18472566 3.82905625 7.88066419 1.18009511 -12.41590645 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4824-78-6 20965 144211416 B C Bromophos-ethyl Clc1cc(OP(=S)(OCC)OCC)c(Cl)cc1Br Tox21_301099 -NCGC00160475-02 196713733 tox21-ror-cho-viability-p1 set2 4 -4.15411545 -4.27403065 -2.67866583 0.00817169 -7.84767921 -1.86896149 -1.06071105 -2.64739529 -2.80242607 0.39386737 -0.66966078 1.36626114 1.2170516 -0.39947138 1.5405267 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 886-08-8 5390109 170466235 D Norletimol Oc2ccccc2/C=N/Cc1ccccc1 Tox21_111839_1 -NCGC00159486-06 196713746 tox21-ror-cho-viability-p1 set2 4 -0.80357166 -1.05910834 -2.47974906 0.83900022 2.59346198 1.94852461 0.6906767 1.75145063 -0.17692669 -1.41360698 1.46177916 0.64041953 5.17611606 0.43466448 2.91824747 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 495-69-2 464 170464791 A Hippuric acid O=C(NCC(=O)O)c1ccccc1 Tox21_111710_1 -NCGC00164449-04 196714147 tox21-ror-cho-viability-p1 set2 4 -1.07751787 0.48683047 0.78261651 -4.75675687 -2.93910182 0.25998211 -3.46662694 -7.84330924 -0.77554075 -6.92146355 -5.38808007 -6.04682012 -8.64427264 -8.8648271 -2.46771624 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00163843-03 196714557 tox21-ror-cho-viability-p1 set2 4 19.6658616925 8.829953428 -8.329953428 0.5 3.6772481694 0.4130019855 0.2603401446 -7.60549164 -7.01369236 -5.46060842 -1.1242381 -3.69111096 -12.73163816 -16.52496119 -8.43219092 -7.81443441 -10.8816055 -7.83890889 -8.41401898 -3.83066424 -0.73406511 0.91904711 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00254745-01 196714570 tox21-ror-cho-viability-p1 set2 4 -0.50908004 0.30156222 1.77008664 0.18271409 2.54690708 0.33769904 0.69602529 -0.80470914 2.53196248 3.44160165 0.59636833 1.12161277 4.6005795 2.06458507 6.25450818 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 122-99-6 31236 144211159 A A 2-Phenoxyethanol OCCOc1ccccc1 Tox21_300842 -NCGC00254414-01 196714571 tox21-ror-cho-viability-p1 set2 4 0.36365632 -0.67337958 -0.02311881 -1.09354827 -2.60885649 1.07706174 0.63602217 -0.79142988 1.15598164 1.69771312 -0.4835758 5.59856409 2.59436134 1.7885952 -1.45475033 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 577-11-7 23673837 144210814 A A Docusate sodium [Na+].O=S(=O)([O-])C(CC(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC Tox21_300496 -NCGC00254535-01 196714576 tox21-ror-cho-viability-p1 set2 1.1 6.6824247267 98.5604365983 -1.5855845459 96.9748520524 1.9673362061 0.9956098077 0 -1.65108744 -1.67034593 -0.60069802 -2.33445282 -1.72291116 -2.4947025 0.87971904 -0.66591192 -0.57778862 1.61136084 2.32043795 23.7058387 69.06174007 85.32141141 93.42471296 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 149062-75-9 18992283 144210745 A A PharmaGSID_47259 Cl.Clc2cc(Cl)cc1N=C3CCCCCN3Cc12 Tox21_300427 -NCGC00254045-01 196714974 tox21-ror-cho-viability-p1 set2 -2.4 54.4826732819 -37.816083152 2 -35.816083152 3.1924983358 0.9750326829 1.711E-7 -1.24126501 2.89977442 1.5381514 3.35816341 0.34067669 0.94815713 3.13105674 2.29052618 0.4836249 1.58674166 1.81234562 3.95866977 0.69167007 -8.94563017 -29.84673596 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-15-9 6629 144210603 D Cumene hydroperoxide OOC(C)(C)c1ccccc1 Tox21_300283 -NCGC00090952-07 196714978 tox21-ror-cho-viability-p1 set2 4 -1.52417212 0.48832172 0.26882291 0.15640308 0.54157608 -0.56100832 0.57527946 -4.35887467 -0.88539167 0.01737177 -2.93610683 -1.54115576 0.74715622 2.90116412 2.07950953 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00254444-01 196714985 tox21-ror-cho-viability-p1 set2 4 -0.18097792 0.88943209 2.49257033 0.70935838 0.70269142 2.48711935 1.00414372 1.73372909 0.68169423 2.96921929 1.36881751 1.16673301 0.55456989 2.32299876 2.49845324 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2176-62-7 16584 144210689 Pentachloropyridine Clc1c(Cl)c(Cl)nc(Cl)c1Cl Tox21_300371 -NCGC00018238-09 196712924 tox21-ror-cho-viability-p1 set2 -2.4 0.5955717307 -26.557484232 2 -24.557484232 1.0999999999 0.9497765401 0.0000086285 -1.06184295 1.61758145 1.99006334 3.95489807 1.14807255 3.23437749 -0.18938516 -3.84000508 -10.05500259 -11.9470041 -15.12238454 -27.13123686 -21.2379669 -26.5652397 -21.07120551 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 20559-55-1 4622 170465661 A Oxibendazole O=C(OC)Nc1nc2cc(ccc2n1)OCCC Tox21_110844_1 -NCGC00091663-03 196712519 tox21-ror-cho-viability-p1 set2 4 0.0043277126 -10.9144439521 11 0.0855560479 3.5117481694 0.9363476919 0.0000318322 11.27311292 9.0717979 3.03447219 -0.23584406 -0.11981964 0.02190171 1.637418 0.55327422 0.82720051 1.36428916 -1.59536996 0.51020645 -0.74094505 -0.62930847 -1.58325232 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00253763-01 196722681 tox21-ror-cho-viability-p1 set3 4 11.8832183006 11.5074425719 -2.0074425719 9.5 3.5117481694 0.6037737049 0.0947103553 -3.98454381 -7.92286881 0.19519473 0.73490822 -0.46450663 -3.26941406 0.04574022 -1.45650011 -6.86355135 2.5804572 -0.63244935 -0.68572291 -0.25414927 11.27977302 6.81255951 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 141200-24-0 60870 170466177 A A Darglitazone Cc3oc(nc3CCC(=O)c2ccc(CC1SC(=O)NC1=O)cc2)c4ccccc4 Tox21_113876 -NCGC00015771-13 196722677 tox21-ror-cho-viability-p1 set3 4 0.3349145963 -9.7850921959 6 -3.7850921959 4.9549173134 0.5612343943 0.1264780692 0 14.5184026 11.59375414 4.40663586 0 8.88388186 1.32726625 6.82552787 -0.70382214 -1.25674828 -7.73757683 -4.37972486 -5.43964828 -3.4011326 0.32035107 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4682-36-4 83823 170464910 A Orphenadrine dihydrogen citrate O=C(O)C(O)(CC(=O)O)CC(=O)O.CN(C)CCOC(c1ccccc1)c2ccccc2C Tox21_111323_1 -NCGC00164581-02 196722684 tox21-ror-cho-viability-p1 set3 4 6.96019203 1.87566519 -5.54902166 3.89517925 12.30621622 0.36201442 -0.43304097 0.9002004 5.95899602 6.04504486 9.86156367 -1.75024973 4.45843824 8.83296115 16.61136057 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2998-57-4 259331 170466403 F Estramustine ClCCN(CCCl)C(=O)Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)CC[C@@H]12)c4cc3 Tox21_112207_1 -NCGC00094561-06 196722687 tox21-ror-cho-viability-p1 set3 2.2 23.7101376556 46.4394895128 2.0810531919 48.5205427047 0.6 0.7607271768 0.0164284191 4.44538162 -1.59912234 8.07066984 7.43219717 2.95060441 9.8456893 4.03210923 -0.0512179 9.48943322 10.88534324 13.1496402 10.31613106 15.04903884 18.89827676 37.05605806 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26002-80-2 4767 170465585 A Phenothrin C/C(C)=C/C3C(C(=O)OCc2cccc(Oc1ccccc1)c2)C3(C)C Tox21_111297_1 -NCGC00263583-01 196723095 tox21-ror-cho-viability-p1 set3 4 37.5780357627 16.5569478839 -0.5569478839 16 4.9549173134 0.5021115455 0.1772020779 -0.19594254 0.49528883 -0.40813895 -1.77326597 -0.59395509 -1.93720733 -0.44950984 3.29067572 -5.76759278 -3.92355295 3.44442724 4.24536951 1.14575841 -7.54745657 13.08432387 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 110221-44-8 443873 170465944 A Temocapril hydrochloride Cl.O=C(OCC)[C@@H](N[C@H]1CS[C@@H](CN(CC(=O)O)C1=O)c2cccs2)CCc3ccccc3 Tox21_112803_1 -NCGC00164543-02 196723097 tox21-ror-cho-viability-p1 set3 -2.4 33.4914596268 -27.428479336 -1.5 -28.928479336 4.9549173134 0.7055743594 0.0356984171 -0.24179193 -2.43369966 -0.56757183 -1.41826805 0.47647311 0.12904773 7.93344441 -0.51199194 -3.95313696 -4.41439581 -4.67899287 -6.31485174 -7.89608435 -0.55254983 -24.52373278 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 101477-54-7 122125 170466010 A Lomerizine dihydrochloride Cl.Cl.Fc1ccc(cc1)C(c2ccc(F)cc2)N3CCN(CC3)Cc4ccc(OC)c(OC)c4OC Tox21_112172_1 -NCGC00091454-07 196723100 tox21-ror-cho-viability-p1 set3 4 0.49075396 -0.35241519 0.50293106 5.2137304 7.80475151 2.57155387 2.61758992 4.09842908 8.46697233 13.21447952 9.14443661 -1.94253126 -0.50302753 9.81729136 -2.49894622 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 108-95-2 996 170465486 F Phenol Oc1ccccc1 Tox21_113463_1 -NCGC00263878-02 196723101 tox21-ror-cho-viability-p1 set3 4 12.30444308 1.12230594 1.07786712 -3.28514419 18.65921048 1.59511444 5.91885551 -3.2909612 -1.46492446 1.78516063 3.8798407 0.26985092 -1.05141347 0.97025945 11.77509302 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71125-38-7 54677470 170464857 A Meloxicam Cc3cnc(NC(=O)C2=C(O)c1ccccc1S(=O)(=O)N2C)s3 Tox21_111734_1 -NCGC00259195-01 196721478 tox21-ror-cho-viability-p1 set3 4 0.0077585351 15.2186519 -9.2186519 6 0.2 0.3706932282 0.3019972195 -0.8401274 -8.51554325 -0.35782427 -1.06530524 3.686058 2.52781515 -1.56287317 -1.60923475 3.81947114 0.77389316 4.75598456 -1.25906019 0.57268181 5.75779324 6.50923808 1.188E-9 2.656E-9 5.9389999999E-9 1.3279999999E-8 2.9699999999E-8 6.64E-8 1.4849999999E-7 3.32E-7 7.4239999999E-7 0.0000016599999999 0.000003712 0.0000083 0.00001856 0.0000415 0.000092799999999 77-86-1 6503 144208844 A A Tromethamine OCC(N)(CO)CO Tox21_201646 -NCGC00259719-01 196721081 tox21-ror-cho-viability-p1 set3 -2.4 22.2760246605 -77.2215158148 6.491818851 -70.7296969638 0.3 0.6107426386 0.7600551402 -1.56636316 -4.53798253 -1.63733059 8.94713136 -5.02897547 -6.66524642 -4.78264037 -4.35700144 -8.73994133 -8.49853229 -32.01526994 -56.13468013 -4.13653938 94.11685834 -45.43030504 1.328E-9 2.9689999999E-9 6.638E-9 1.484E-8 3.3189999999E-8 7.4219999999E-8 1.66E-7 3.711E-7 8.298E-7 0.0000018549999999 0.000004149 0.000009277 0.000020739999999 0.00004638 0.0001037 15625-89-5 27423 144209368 D Trimethylolpropane triacrylate O=C(C=C)OCC(COC(=O)C=C)(CC)COC(=O)C=C Tox21_202170 -NCGC00259022-01 196721089 tox21-ror-cho-viability-p1 set3 -3 69.8470682301 -47.690611067 -2.476718168 -50.167329235 4.9549173134 0.9409715917 0.0000207475 -5.65116852 -3.98444984 1.02645434 3.36453943 -3.47159031 -3.42561953 -4.77444286 -4.22527088 -3.91443234 -1.00788282 -4.05605603 -4.39302798 -1.64475016 -3.43107793 -41.40264225 1.198E-9 2.679E-9 5.991E-9 1.34E-8 2.995E-8 6.698E-8 1.4979999999E-7 3.3489999999E-7 7.4889999999E-7 0.000001675 0.000003744 0.000008373 0.000018719999999 0.000041859999999 0.000093609999999 69-72-7 338 144208669 A A Salicylic acid OC(=O)c1ccccc1O Tox21_201471 -NCGC00258853-01 196721098 tox21-ror-cho-viability-p1 set3 4 -10.86707848 -9.91878241 -5.85018189 -4.21705797 -11.88990503 -13.48473641 -10.07423777 -11.78020328 -12.26794058 -1.42087916 -12.2801125 -11.01792993 -11.55066275 1.71317861 -6.26326538 1.164E-9 2.603E-9 5.821E-9 1.302E-8 2.911E-8 6.508E-8 1.4549999999E-7 3.254E-7 7.2769999999E-7 0.0000016269999999 0.0000036379999999 0.000008136 0.00001819 0.00004068 0.000090959999999 505-52-2 10458 144208499 A A Tridecanedioic acid O=C(O)CCCCCCCCCCCC(=O)O Tox21_201301 -NCGC00256941-01 196727472 tox21-ror-cho-viability-p1 set3 4 0.82589854 -3.64018842 0.65697943 3.33907052 -1.50777207 -2.43417812 -1.09815414 1.51670667 1.31873679 -2.45782758 -3.52588563 -1.50488133 -3.71712497 -1.32556485 0.46989388 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 598-72-1 11729 144213543 Ac 2-Bromopropionic acid BrC(C)C(=O)O Tox21_303226 -NCGC00256829-01 196727060 tox21-ror-cho-viability-p1 set3 4 1.29405296 -4.46371065 -3.31622651 -8.51384448 -3.6230274 -4.26188841 -3.75059799 -2.74290413 -4.08295171 -1.94568846 -2.45345331 0.3556191 -0.14394181 0.92660672 1.43489049 8.3169999999E-10 1.86E-9 4.159E-9 9.299E-9 2.079E-8 4.6489999999E-8 1.0399999999E-7 2.325E-7 5.198E-7 0.0000011619999999 0.000002599 0.000005812 0.000013 0.000029059999999 0.00006498 1191-16-8 14489 144213041 F 3,3-Dimethylallyl acetate CC(=O)OC\C=C(/C)C Tox21_302724 -NCGC00256522-01 196727459 tox21-ror-cho-viability-p1 set3 4 -0.83981583 -5.71671178 -7.11216842 -2.10994355 -1.242568 -5.590974 -6.74436974 0.81179578 0.80757015 -1.27038657 -0.96157023 0.27582488 -0.77121032 -1.97510617 -12.46626697 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-78-1 998 144213262 Z F Phenylacetaldehyde O=CCc1ccccc1 Tox21_302945 -NCGC00257166-01 196727468 tox21-ror-cho-viability-p1 set3 4 1.97131353 1.79550758 1.14689423 0.36544518 -0.36264124 1.06531253 0.18733298 -0.82044139 1.97837901 -1.25776137 -0.85923849 -0.5009559 2.71233657 5.63303997 1.01696131 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-57-6 15909 144213539 A A Methyl styryl ketone CC(=O)C=Cc1ccccc1 Tox21_303222 -NCGC00257368-01 196727477 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -16.859637068 1.5 -15.359637068 4.9549173134 0.8977891786 0.0003690187 1.95029292 1.46705429 2.19038343 1.31454819 1.73884461 -0.34013614 2.26545457 2.84020092 1.24715062 0.56487488 4.43614988 1.24166974 0.81243072 1.30432226 -11.13303089 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 41317-15-1 162461 144213810 A A 4-Methoxy-2-methyl-N-phenylaniline COc2cc(C)c(Nc1ccccc1)cc2 Tox21_303502 -NCGC00255484-01 196727875 tox21-ror-cho-viability-p1 set3 -2.1 1.5168107966 -84.7550806276 1.839574204 -82.9155064236 2.7202212144 0.9942109624 0.0009371343 -17.8451498 5.15311673 1.85330681 1.30097687 1.0793987 1.12328438 -0.88828931 -2.06285426 -4.39609257 -42.34316786 -76.45114123 -44.98016488 126.69263991 47.32480586 -65.48910281 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 60506-81-2 108956 144212039 D Dipentaerythritol pentaacrylate O=C(OCC(COCC(CO)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C Tox21_301722 -NCGC00255988-01 196727879 tox21-ror-cho-viability-p1 set3 1.2 0.086349218 41.0945573887 2.5248250509 43.6193824396 0.8999999999 0.9308441148 0.0002167674 -0.7208871 8.65893428 10.98592858 0.20717264 19.12225816 20.10585583 26.05817123 34.32557435 42.49525172 34.96667005 45.38021719 44.39792436 42.47908294 24.3661308 2.15858668 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13614-98-7 54685925 144211907 A I Minocycline hydrochloride Cl.CN(C)c2ccc(O)c1C(=O)C3=C(O)[C@]4(O)C(=O)C(=C(O)[C@@H](N(C)C)[C@@H]4C[C@@H]3Cc12)C(N)=O Tox21_301590 -NCGC00163771-03 196727881 tox21-ror-cho-viability-p1 set3 4 0.0021689943 14.099248868 -9.599248868 4.5 1.8579476909 0.542415116 0.1587041493 -6.33270739 -1.43743005 4.29070789 -0.08820581 5.54809046 -0.21762676 6.85755117 4.97111476 3.76691519 5.15252254 3.64794841 1.0155583 11.18471543 5.86625904 1.04873719 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00189074-03 196704698 tox21-ror-cho-viability-p1 set1 -2.2 21.1316824289 -48.7994405084 -1.949540498 -50.7489810064 1.9673362061 0.9580477527 0.000003199 2.26132846 -2.29647304 0.41839601 -2.03905587 -3.77860184 0.36525008 -5.82707296 -1.11650149 -5.14836474 -0.43170986 -4.40885444 -6.82094419 -7.13018933 -26.08397508 -42.23407652 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 212631-79-3 6918454 170466835 A PD-184352 O=C(NOCC1CC1)c3ccc(F)c(F)c3Nc2ccc(I)cc2Cl Tox21_113363_1 -NCGC00091563-12 196704277 tox21-ror-cho-viability-p1 set1 -1.1 0.421632496 -68.0262472471 -0.137028964 -68.1632762111 1.1340999999 0.9293247445 0.0000539801 0.11887757 -4.30503948 -6.5886916 1.51746144 2.61602374 -3.09991987 0.85347074 -21.17380344 -35.09061082 -46.75959762 -57.41677942 -58.04053876 -64.45397112 -51.55561816 -88.7542659 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 137-26-8 5455 170465664 A Thiram CN(C)C(=S)SSC(=S)N(C)C Tox21_111150_1 -NCGC00263858-02 196704280 tox21-ror-cho-viability-p1 set1 4 33.4914596268 10.3268921679 -0.8268921679 9.5 4.9549173134 0.6770714085 0.0504894775 -5.27241014 -1.71630481 -0.33334309 0.69221755 0.17295423 -0.5959133 -1.37325294 -0.05289464 -1.91975203 1.19147421 -2.45801185 -1.74770848 -0.03476355 -0.3695727 7.78474545 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 41575-94-4 426756 170464868 F Carboplatin O=C2O[Pt](N)(N)OC(=O)C12CCC1 Tox21_112586_1 -NCGC00182983-01 196704684 tox21-ror-cho-viability-p1 set1 4 29.8492948118 -10.469521584 3 -7.469521584 2.6384283767 0.4739052909 0.2049587167 3.00743811 2.30370554 5.49749834 -0.01505319 2.30033052 1.60203464 0.5034864 3.70837522 1.20368705 3.61091329 9.29404232 3.63852003 1.25221874 0.37680555 -4.97460132 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15387-18-5 9568078 144206829 A A Fezatione S=C2SC=C(N2/N=C/c1ccc(C)cc1)c3ccccc3 Tox21_113278 -NCGC00253595-01 196713793 tox21-ror-cho-viability-p1 set2 -3 33.4914596268 -96.3065698795 1.2403637449 -95.0662061346 4.9549173134 0.9866922558 4.4E-9 1.32371571 2.69883956 3.98911364 3.18030407 -1.71675068 1.21630828 2.6861753 0.5538353 4.20495366 0.45322762 -2.04507566 0.89902908 -1.40657552 -2.81134587 -83.39140889 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 47739-98-0 2793 170465785 A A Clocapramine Clc4ccc5CCc1ccccc1N(CCCN2CCC(CC2)(C(N)=O)N3CCCCC3)c5c4 Tox21_113731 -NCGC00070736-03 196712960 tox21-ror-cho-viability-p1 set2 4 -4.56576228 -6.65845828 -4.91156841 -3.11237657 -5.4173901 -4.26084149 -4.62416721 -2.42836793 -1.1562614 -3.71862107 0.29032372 0.31606504 -1.44597122 -6.85556646 -7.75692217 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 99011-02-6 57469 170464691 A Imiquimod CC(C)Cn3cnc2c(N)nc1ccccc1c23 Tox21_110985_1 -NCGC00022472-10 196713369 tox21-ror-cho-viability-p1 set2 4 1.07133781 -1.26162637 3.90819259 -1.01601326 -1.98777347 2.63734579 0.26867895 -1.19513948 0.85161031 1.37788415 3.15912774 1.20574189 -1.89300909 -1.99527919 0.12631372 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-22-6 5753 170466845 A Corticosterone OCC(=O)[C@H]4CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_110879_1 -NCGC00091086-02 196713789 tox21-ror-cho-viability-p1 set2 4 0.0432771257 -10.518164736 10 -0.518164736 2.4063783767 0.9505489284 0.0000080357 9.22010537 9.74332985 12.06424579 8.4352395 7.79376041 0.7252346 1.6266179 -1.26513728 -0.99171778 -0.30460266 -0.06181791 -1.09916602 -0.21461211 -1.01307212 1.0449425 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00164385-05 196713795 tox21-ror-cho-viability-p1 set2 4 -0.09344902 0.29254712 0.91864054 -0.04006866 -2.53599094 0.25337071 1.36812764 -1.02445882 -5.78822666 -9.22225127 -2.75681313 1.72154405 1.43481923 -0.37054903 -10.64977048 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 911-45-5 2800 170464951 I Clomifene citrate CCN(CCOc1ccc(cc1)C(c2ccccc2)=C(Cl)c3ccccc3)CC Tox21_113110_1 -NCGC00090910-03 196714199 tox21-ror-cho-viability-p1 set2 4 -0.74487429 -2.32667065 1.3561416 1.33683227 -3.33946354 -7.55261402 -1.16635893 -3.21863747 -3.56852453 0.32031491 -4.71758858 -5.48179141 1.52482234 -4.76011838 2.72155925 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00254727-01 196714210 tox21-ror-cho-viability-p1 set2 4 -1.73907256 0.9955681 0.69791009 3.62170587 -0.43506192 1.66396502 1.10382086 -1.67812148 0.57314738 3.77924004 -0.95931042 6.79359513 5.25652117 3.4464572 4.44579682 1.203E-9 2.6889999999E-9 6.014E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003759 0.000008404 0.000018789999999 0.00004202 0.000093959999999 3658-77-3 19309 144211140 FNS 4-Hydroxy-2,5-dimethyl-3(2H)furanone CC=1OC(C)C(=O)C=1O Tox21_300823 -NCGC00016000-13 196714218 tox21-ror-cho-viability-p1 set2 -2.1 70.1970324498 -100.0614626651 -7.262381707 -107.3238443721 4.4494702849 0.8539649384 0.0019871939 0.48146502 0.70027598 1.6271469 0.66968801 1.42650625 0.15486533 -7.54172336 -10.07026485 -16.01676225 -22.068233 -21.79775367 -15.5130618 -8.78668002 -15.67865177 -85.99667017 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00257920-01 196715813 tox21-ror-cho-viability-p1 set2 4 -1.89426481 -4.35814305 -1.00899837 -1.09688148 -2.71221961 -1.42598025 -1.32659771 -0.1977423 -1.70339939 -1.65608407 -1.96303881 -1.47352482 -3.44619048 0.55047578 -1.07643405 1.2069999999E-9 2.7E-9 6.037E-9 1.3499999999E-8 3.0179999999E-8 6.75E-8 1.509E-7 3.375E-7 7.546E-7 0.000001687 0.000003773 0.0000084369999999 0.00001887 0.00004218 0.00009433 80-39-7 6637 144207564 A A N-Ethyl-4-methylbenzenesulfonamide Cc1ccc(cc1)S(=O)(=O)NCC Tox21_200366 -NCGC00257616-01 196715396 tox21-ror-cho-viability-p1 set2 4 -3.13425028 -1.24802307 -2.62804197 -3.18288421 -0.62105083 -3.00105151 -4.19500214 -3.60620065 1.12516748 -0.50486115 0.58616472 -2.05592993 -1.37340509 -2.43522376 -1.94576733 1.165E-9 2.6039999999E-9 5.8229999999E-9 1.302E-8 2.912E-8 6.5109999999E-8 1.456E-7 3.255E-7 7.2789999999E-7 0.000001628 0.00000364 0.0000081379999999 0.0000182 0.00004069 0.00009099 149-73-5 9005 144207260 FNS Trimethoxymethane COC(OC)OC Tox21_200062 -NCGC00257737-01 196715401 tox21-ror-cho-viability-p1 set2 4 2.61055304 1.49392955 0.00026912 0.13764094 -0.19755133 5.47390374 0.60696489 1.34390232 4.10943153 2.6397658 2.28577884 1.30275989 0.23479498 1.64633991 2.52753976 1.133E-9 2.533E-9 5.6639999999E-9 1.2659999999E-8 2.832E-8 6.332E-8 1.416E-7 3.1659999999E-7 7.0789999999E-7 0.000001583 0.00000354 0.000007915 0.0000177 0.00003958 0.000088489999999 11096-82-5 38018 144207381 D Aroclor 1260 Clc2ccc(c1ccc(Cl)c(Cl)c1Cl)c(Cl)c2Cl Tox21_200183 -NCGC00258109-01 196715407 tox21-ror-cho-viability-p1 set2 2.4 57.2967731921 31.964014828 2.035985172 34 1.826479391 0.8703055675 0.0011491806 -2.05334569 1.25750303 1.94023917 2.66412518 5.75338897 2.92797608 0.31948759 3.53609277 3.47685885 -0.11080515 -0.14174382 7.09472242 5.26449531 9.62620524 26.28337596 1.118E-9 2.5E-9 5.59E-9 1.25E-8 2.795E-8 6.249E-8 1.397E-7 3.1249999999E-7 6.987E-7 0.000001562 0.000003493 0.000007812 0.000017469999999 0.00003906 0.00008734 2081-08-5 608116 144207753 A A Bisphenol E CC(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_200555 -NCGC00258737-01 196715824 tox21-ror-cho-viability-p1 set2 4 4.39439205 2.27859094 0.72755559 0.3072364 0.21236467 2.21864597 -0.23712056 0.04362866 1.32851826 0.25559539 0.16335566 0.76767275 3.34432323 -0.0953065 0.20685756 1.193E-9 2.667E-9 5.963E-9 1.333E-8 2.982E-8 6.6669999999E-8 1.491E-7 3.3339999999E-7 7.4539999999E-7 0.0000016669999999 0.0000037269999999 0.0000083339999999 0.00001864 0.00004167 0.00009318 107-94-8 7899 144208383 A A 3-Chloropropanoic acid ClCCC(=O)O Tox21_201185 -NCGC00258622-01 196715827 tox21-ror-cho-viability-p1 set2 4 2.01511206 1.2720984 -2.32957068 2.41795879 4.68242716 2.0616351 5.63732136 7.27144079 4.28814871 -0.78472765 -0.51613377 -0.13180344 0.50090662 5.53170694 2.95247488 1.167E-9 2.608E-9 5.8329999999E-9 1.304E-8 2.9159999999E-8 6.521E-8 1.458E-7 3.26E-7 7.2909999999E-7 0.0000016299999999 0.000003645 0.0000081509999999 0.00001823 0.000040759999999 0.000091129999999 96-98-0 7319 144208267 A A 4-Methyl-3-nitrobenzoic acid Cc1ccc(cc1[N+](=O)[O-])C(=O)O Tox21_201069 -NCGC00258641-01 196715829 tox21-ror-cho-viability-p1 set2 4 6.45002323 3.2881928 3.01497139 1.766622 1.66772748 3.4754478 2.60361549 -0.76503133 4.87919176 0.06833003 3.29612451 2.20320976 2.34621019 5.01289661 2.56711382 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.0000016719999999 0.0000037379999999 0.000008358 0.00001869 0.00004179 0.00009344 611-19-8 11906 144208287 B 2-Chlorobenzyl chloride ClCc1ccccc1Cl Tox21_201089 -NCGC00258647-01 196716239 tox21-ror-cho-viability-p1 set2 4 3.54770593 1.40717451 -1.15591607 0.31654571 1.80647879 1.23660522 -0.07671831 0.02908098 4.18475675 2.20947995 3.6915621 2.57459382 2.87281991 -0.18863598 -1.35756862 1.166E-9 2.608E-9 5.832E-9 1.304E-8 2.9159999999E-8 6.5199999999E-8 1.458E-7 3.26E-7 7.2899999999E-7 0.0000016299999999 0.000003645 0.00000815 0.00001822 0.00004075 0.00009112 870-72-4 2723822 144208293 A A Sodium hydroxymethanesulfonate [Na+].[O-]S(=O)(=O)CO Tox21_201095 -NCGC00258455-01 196716240 tox21-ror-cho-viability-p1 set2 4 -0.3468045 -1.2117196 -2.47466275 -11.76563726 0 0.31642927 0.98853702 -0.52490996 -2.84398333 -0.71861135 0.53226212 0.31173889 -0.22822229 -2.74940046 -2.81471462 1.1379999999E-9 2.544E-9 5.689E-9 1.2719999999E-8 2.844E-8 6.36E-8 1.422E-7 3.18E-7 7.111E-7 0.00000159 0.000003555 0.00000795 0.00001778 0.00003975 0.000088879999999 495-85-2 5281567 144208099 A A Methysticin O=C3C=C(C[C@H](/C=C/c1ccc2OCOc2c1)O3)OC Tox21_200901 -NCGC00258494-01 196716245 tox21-ror-cho-viability-p1 set2 4 -2.28310441 -1.72750604 -11.33104078 -0.90513177 -1.69199261 1.13085969 -0.74571236 -10.35213046 -0.67337445 -0.31433996 -0.33961394 0.27644329 -1.06720879 0.63231764 -0.80952938 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.312E-7 7.405E-7 0.000001656 0.000003702 0.000008279 0.00001851 0.0000414 0.00009256 521-31-3 10638 144208138 A A Luminol Oc2nnc(O)c1cccc(N)c12 Tox21_200940 -NCGC00254585-01 196714583 tox21-ror-cho-viability-p1 set2 -2.3 30.6378586933 -99.4441792383 -2.5072604 -101.9514396383 0.9999999999 0.9654870312 0.1798715936 -0.7344101 0.05888814 2.83666488 -7.1549207 -2.82256815 -5.8426467 -4.84038157 -0.03553655 -9.9075132 -12.86334539 -6.91681296 -25.81641964 -67.07150422 -2.47676243 -77.23593912 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-96-5 7626 144210994 A A beta-Nitrostyrene [O-][N+](=O)C=Cc1ccccc1 Tox21_300677 -NCGC00254112-01 196714177 tox21-ror-cho-viability-p1 set2 4 -0.17815601 -0.35054334 -2.9158735 -1.25268526 0.52146348 -1.60953891 -0.89902113 2.85093196 -0.15702695 -2.89060326 0.35831114 -0.87483812 2.77072689 3.4583901 0.89758095 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.00001889 0.00004225 0.00009447 65-85-0 243 144210500 A A Benzoic acid O=C(O)c1ccccc1 Tox21_300180 -NCGC00254308-01 196714181 tox21-ror-cho-viability-p1 set2 4 1.89823225 -2.05748634 -1.75890578 -2.14286877 0.71279764 -2.83023934 -4.20842636 -3.97561343 2.8005886 1.62039902 -6.10577014 2.65108141 -0.61247771 -4.5631133 -5.64020401 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-66-7 7061 144210886 A B N,N-Diethylaniline CCN(CC)c1ccccc1 Tox21_300569 -NCGC00254282-01 196714189 tox21-ror-cho-viability-p1 set2 -2.2 34.3762428541 -63.107422503 -5.667719757 -68.77514226 0.8999999999 0.9583532121 0.0000030688 -2.20984216 -1.32498337 -8.99714543 -6.39756734 -6.49913631 -11.18868249 -2.28473389 -7.15615612 -11.01880547 -9.79390662 -11.27196262 -19.22367884 -30.78674556 -36.25472156 -52.1023805 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105624-86-0 11723708 144210948 A A 5HPP-33 CC(C)c1cccc(C(C)C)c1N3C(=O)c2ccc(O)cc2C3=O Tox21_300631 -NCGC00263577-01 196698191 tox21-ror-cho-viability-p1 set1 4 0.17668591 0.61520291 -0.62583701 -2.84737142 -2.53361091 0.34641716 -2.38306646 0.59287767 -0.6654794 -3.23786503 -1.07125582 -1.15725213 -0.56819708 -0.80313329 4.59067871 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68767-14-6 3965 170465808 A Loxoprofen O=C(O)C(C)c2ccc(CC1CCCC1=O)cc2 Tox21_110178_1 -NCGC00016393-07 196697766 tox21-ror-cho-viability-p1 set1 4 0.0943917582 3.452644888 -1.452644888 2 4.9549173134 0.349168548 0.3252921252 -4.54387074 -0.5294115 -0.49993121 0.57422912 -1.43739489 -1.50345614 -2.21478105 6.11363993 -0.63338939 5.15419323 -0.35784714 0.28894048 0.34780093 4.0942808 0.08382677 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 131-53-3 8569 170465540 A 2,2'-Dihydroxy-4-methoxybenzophenone O=C(c1ccc(cc1O)OC)c2ccccc2O Tox21_110417_1 -NCGC00096077-06 196697767 tox21-ror-cho-viability-p1 set1 4 1.71758904 -2.75480804 -4.15691754 1.36029462 -1.44667953 -1.55913243 -1.3110609 1.34228457 -1.73018076 -1.7931093 1.68557705 -2.54926783 -4.03593083 1.56030415 0.16374406 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 132539-06-1 4585 170465009 A Olanzapine CN1CCN(CC1)C2=Nc4ccccc4Nc3sc(C)cc23 Tox21_111556_1 -NCGC00015061-13 196697773 tox21-ror-cho-viability-p1 set1 4 29.8492948118 7.5146526839 -2.0146526839 5.5 4.0949729863 0.39982534 0.2776570423 0.69567345 0.34249588 -3.47782242 0.20898577 -6.26221057 -3.58523036 -1.79108586 -3.42544495 0.09199615 -2.45687421 -3.08620566 -0.26229859 -0.64945439 -0.60212105 4.24597669 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59277-89-3 2022 170464640 A Aciclovir NC2=Nc1c(ncn1COCCO)C(=O)N2 Tox21_110075_1 -NCGC00016265-08 196698192 tox21-ror-cho-viability-p1 set1 4 0.55684708 8.19388678 8.08987109 0.56608042 3.62484745 4.79959514 6.20700806 5.47930917 2.64841822 1.79490098 6.22737794 6.38313164 9.22886544 2.19553579 5.66505751 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-30-3 6037 170464833 A Folic acid O=C(O)[C@H](CCC(=O)O)NC(=O)c1ccc(cc1)NCc2cnc3NC(N)=NC(=O)c3n2 Tox21_111559_1 -NCGC00181770-02 196698594 tox21-ror-cho-viability-p1 set1 4 16.3534627896 -15.5722300479 -1 -16.5722300479 4.9549173134 0.7338895933 0.0248743781 -3.71451561 -0.07998155 -4.24847914 -2.83335562 -4.12774909 -0.67083696 0.11179542 -0.86029943 -1.45207341 1.94513938 1.32521395 -1.7076436 1.10877116 2.09748586 -17.14352504 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 223652-90-2 157690 170465937 C Garenoxacin mesylate hydrate O.CS(=O)(=O)O.C[C@H]1NCc2cc(ccc12)c3ccc4c(c3OC(F)F)N(C=C(C4=O)C(=O)O)C5CC5 Tox21_112995_1 -NCGC00095042-06 196722694 tox21-ror-cho-viability-p1 set3 4 1.2857475102 8.787337536 0.212662464 9 3.1319983358 0.848047805 0.0024194052 -0.87032403 -0.17822961 2.35874373 0.31632012 0.52409426 -1.02996997 0.19528009 -1.07278128 1.41262318 6.96541035 10.788058 10.83952104 3.93920042 8.26696356 9.80471258 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00259249-01 196721900 tox21-ror-cho-viability-p1 set3 4 24.3612673097 11.3968635321 1.1031364679 12.5 4.9549173134 0.4845115954 0.1927290172 -4.08071961 1.06821154 4.00366678 13.17859632 -1.55129043 0.37693625 -1.42963793 1.79485625 -1.60820011 3.51580495 0.68505327 -0.03331073 2.20577128 14.47979291 10.52545016 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004127 0.00009229 81-90-3 66494 144208898 A A Phenolphthalin Oc1ccc(cc1)C(c2ccccc2C(=O)O)c3ccc(O)cc3 Tox21_201700 -NCGC00259907-01 196722291 tox21-ror-cho-viability-p1 set3 4 -5.54007526 -2.79605798 -1.42220527 2.15138045 -3.3374824 -4.69559134 -4.92552958 -1.07173925 -3.93855965 -2.37827651 -4.57410654 -4.15767797 -2.85772929 -0.0896587 -8.09102447 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.552E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.0000036629999999 0.00000819 0.00001831 0.00004095 0.000091569999999 123-09-1 31243 144209556 A Ac 4-Chlorophenyl methyl sulfide CSc1ccc(Cl)cc1 Tox21_202358 -NCGC00259014-01 196722295 tox21-ror-cho-viability-p1 set3 4 63.3753382083 11.179792364 -3.679792364 7.5 4.5044702849 0.5210721553 0.1618626775 -6.39982697 -3.78797991 -3.11149255 -0.91843719 -4.43479442 -3.93432668 -3.14516887 -6.34824577 -6.3347938 2.78574326 -4.27909224 -2.14839405 -4.7519892 -1.97542716 5.7592391 1.216E-9 2.72E-9 6.0819999999E-9 1.36E-8 3.041E-8 6.8E-8 1.521E-7 3.4E-7 7.6029999999E-7 0.0000016999999999 0.000003801 0.0000085 0.00001901 0.000042499999999 0.00009504 100-37-8 7497 144208661 A Ac N,N-Diethylethanolamine CCN(CC)CCO Tox21_201463 -NCGC00160529-06 196722703 tox21-ror-cho-viability-p1 set3 4 -7.77934753 3.09885388 -7.04872488 4.72316308 -8.33512054 -7.69847105 2.09765103 -15.57563931 2.71549823 0.94914288 0.80452279 1.60165867 -3.87468342 -2.82451694 10.98916834 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51322-75-9 5487 170465419 A Tizanidine hydrochloride Clc2ccc3nsnc3c2NC1=NCCN1 Tox21_111876_1 -NCGC00167465-02 196723110 tox21-ror-cho-viability-p1 set3 4 0.8412674301 12.3865966041 1.1134033959 13.5 2.3331733767 0.8368218195 0.0049663587 4.5300665 1.60899368 -1.15549717 0.55925096 4.85462372 1.10474955 -0.91965131 2.48900749 -0.11084278 8.50709588 11.34140889 11.54405653 17.20764684 10.881888 3.33700852 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112965-21-6 5288783 170464710 F Calcipotriene C=C1C(/C[C@@H](O)C[C@@H]1O)=C\C=C2/CCC[C@]3(C)[C@H](CC[C@@H]23)[C@H](C)/C=C/[C@@H](O)C4CC4 Tox21_112469_1 -NCGC00259623-01 196705933 tox21-ror-cho-viability-p1 set1 4 4.07603637 3.67778878 -1.40778752 1.73994115 0.09442362 -0.67803958 1.48844596 -1.46634341 2.74560487 10.73166566 -1.82869792 -0.88748738 2.29070407 3.94178368 2.27171279 1.1859999999E-9 2.6519999999E-9 5.929E-9 1.326E-8 2.964E-8 6.629E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.0000037059999999 0.000008286 0.00001853 0.000041429999999 0.00009264 111-44-4 8115 144209272 D Bis(2-chloroethyl) ether ClCCOCCCl Tox21_202074 -NCGC00257759-01 196729548 tox21-ror-cho-viability-p1 set3 4 0.43934155 1.05567465 0.24245619 0.67959714 -0.07221006 -1.43875807 0.89983965 0.53518548 0.27663683 -0.8870517 1.5446913 -0.93866866 1.50025812 -1.25805823 2.78112229 1.136E-9 2.54E-9 5.679E-9 1.27E-8 2.84E-8 6.3499999999E-8 1.4199999999E-7 3.175E-7 7.099E-7 0.0000015869999999 0.000003549 0.000007937 0.000017749999999 0.00003968 0.00008874 75-34-3 6365 144207403 FNS 1,1-Dichloroethane CC(Cl)Cl Tox21_200205 -NCGC00257720-01 196729559 tox21-ror-cho-viability-p1 set3 4 0.72563039 1.09812208 -1.10974484 0.48609235 1.20141558 0.90845166 0.73080185 -0.26253023 0.47676157 -0.46689818 0.73473852 0.09678752 -3.38481145 -1.3184699 -1.21538011 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13838-16-9 3226 144207364 FNS Enflurane FC(Cl)C(F)(F)OC(F)F Tox21_200166 -NCGC00259060-01 196705945 tox21-ror-cho-viability-p1 set1 4 5.85832615 -3.5095042 -0.33334796 -9.07522391 2.50534348 -0.12435317 -0.37666838 3.86959894 0.00786583 -7.48292025 -0.59161627 -4.80841681 -6.22789671 3.48728028 4.02095298 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.961E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.000003701 0.000008275 0.0000185 0.00004137 0.000092519999999 315-22-0 9415 144208707 A A Monocrotaline O=C1OCC3=CCN2CC[C@@H](OC(=O)[C@H](C)[C@@](C)(O)[C@@]1(C)O)[C@H]23 Tox21_201509 -NCGC00259916-01 196705937 tox21-ror-cho-viability-p1 set1 4 8.44955638 -0.06547282 3.21253244 0.31212251 0.47692345 2.92656031 -0.77501248 3.1120553 -1.29399576 6.09277203 5.74203041 2.37844271 2.85829984 5.35268634 2.56024029 1.144E-9 2.5579999999E-9 5.719E-9 1.2789999999E-8 2.8599999999E-8 6.3939999999E-8 1.4299999999E-7 3.197E-7 7.1489999999E-7 0.0000015989999999 0.0000035739999999 0.000007993 0.00001787 0.00003996 0.00008936 150-76-5 9015 144209565 A A 4-Methoxyphenol Oc1ccc(OC)cc1 Tox21_202367 -NCGC00259841-01 196705939 tox21-ror-cho-viability-p1 set1 4 8.18733233 2.77029933 -2.59774153 7.9307113 1.0044204 -0.3801347 -1.40755677 0.84648083 5.57407306 13.61414844 1.99107862 4.32240541 1.65901754 3.79676745 2.43894887 1.1679999999E-9 2.6109999999E-9 5.8389999999E-9 1.3059999999E-8 2.92E-8 6.528E-8 1.4599999999E-7 3.264E-7 7.299E-7 0.0000016319999999 0.0000036489999999 0.00000816 0.00001825 0.000040799999999 0.000091239999999 75-62-7 6383 144209490 Bromotrichloromethane BrC(Cl)(Cl)Cl Tox21_202292 -NCGC00258868-01 196706344 tox21-ror-cho-viability-p1 set1 4 -10.51069786 1.51399017 -6.92992819 -9.15187536 5.46867939 -0.90929966 -0.46921558 2.89307773 -1.29383854 -10.95467799 3.09683082 -2.45381076 -0.35793508 -4.73896733 -1.11555867 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.586E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009204 693-98-1 12749 144208514 A Fns 2-Methylimidazole Cc1nccn1 Tox21_201316 -NCGC00091146-04 196706347 tox21-ror-cho-viability-p1 set1 4 0.0068589622 16.710915248 -18.710915248 -2 0.6 0.3808664094 0.3071505906 -12.78587461 -10.78246594 -10.41767085 -17.25909604 -3.77400491 -4.09409512 0.57681219 -4.73029926 -7.14375806 0 1.09434453 -4.19881835 -8.49058592 -7.6636383 -16.60199168 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00091163-03 196706350 tox21-ror-cho-viability-p1 set1 4 3.28382721 -1.34179488 -8.97068304 -0.79329508 -0.5857373 -1.04314525 1.31047275 0.63904841 3.00957334 0 2.67531471 -7.46096273 -3.66171172 0.69200539 -0.01718031 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00259138-01 196706352 tox21-ror-cho-viability-p1 set1 4 -8.05885408 -2.15376445 -7.70758215 -7.95212932 -9.22908767 -8.37838071 -2.80448473 -5.18070965 -3.85346328 -7.48151933 6.41410744 -8.03462395 -5.8557748 -5.52809918 -4.72957764 1.172E-9 2.621E-9 5.8609999999E-9 1.311E-8 2.9299999999E-8 6.553E-8 1.465E-7 3.276E-7 7.326E-7 0.0000016379999999 0.0000036629999999 0.000008191 0.00001832 0.00004095 0.00009158 120-83-2 8449 144208787 A A 2,4-Dichlorophenol Clc1cc(Cl)c(O)cc1 Tox21_201589 -NCGC00066947-05 196706354 tox21-ror-cho-viability-p1 set1 4 -7.55183692 -1.29107459 -10.37934759 -10.2920868 -9.80460966 -7.49090917 -8.16130808 -10.0646344 -7.23485643 -5.97964837 7.87930979 -8.53722551 -8.94396129 -4.34300791 -4.44523479 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00259385-01 196706765 tox21-ror-cho-viability-p1 set1 4 6.13177084 -0.37792644 1.20931898 5.66909713 -0.68160028 0.39355273 -7.42813049 0.28010168 -3.76494528 10.25703409 0.0719572 1.5863147 -2.19225998 0.01072879 0.13310615 1.171E-9 2.618E-9 5.8529999999E-9 1.3089999999E-8 2.927E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.316E-7 0.0000016359999999 0.000003658 0.00000818 0.00001829 0.0000409 0.00009146 63-25-2 6129 144209034 A D Carbaryl CNC(=O)Oc2cccc1ccccc12 Tox21_201836 -NCGC00259667-01 196706768 tox21-ror-cho-viability-p1 set1 4 0.0049447938 -7.090060852 8 0.909939148 4.9549173134 0.4650890358 0.2291280435 4.71583567 11.48828277 1.4691294 0.18624363 -1.20180191 0.77397997 -3.82505071 4.56900578 5.96337591 -0.43249786 1.26830223 0.55520758 1.70188014 0.68617575 2.0244066 1.198E-9 2.6779999999E-9 5.988E-9 1.339E-8 2.994E-8 6.6949999999E-8 1.497E-7 3.347E-7 7.485E-7 0.0000016739999999 0.000003742 0.000008368 0.00001871 0.00004184 0.000093559999999 16672-87-0 27982 144209316 A A Ethephon ClCCP(=O)(O)O Tox21_202118 -NCGC00257009-01 196707176 tox21-ror-cho-viability-p1 set1 4 -14.50259899 -18.30476763 -11.10584512 -11.11954017 -13.40626441 -13.50733665 -9.49249631 -4.96461197 -13.88848364 -15.68546315 -10.49441307 -23.45161116 -9.55659804 -13.51610743 -5.07743565 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 134678-17-4 73339 144213464 A A Lamivudine NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)SC2 Tox21_303147 -NCGC00271749-02 196725916 tox21-ror-cho-viability-p1 set3 1.1 0.16785492 57.8886070959 -2.029056184 55.8595509119 1.0999999999 0.9103542574 0.0001851861 0.2044425 -8.35754682 6.78139274 1.65433105 -1.98856496 6.56103458 0.29599595 42.86012303 43.35233961 40.30887824 40.17931283 53.21665638 56.4196498 59.54546959 62.06616768 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 186826-86-8 101526 170465209 A Moxifloxacin hydrochloride Cl.O=C(O)C2=CN(c1c(OC)c(c(F)cc1C2=O)N3C[C@@H]4CCCN[C@@H]4C3)C5CC5 Tox21_111439_1 -NCGC00258728-01 196716273 tox21-ror-cho-viability-p1 set2 4 3.17412559 4.60690735 -0.07049763 4.10131819 3.47975939 3.43272296 1.01648683 1.89231831 4.21652888 1.52092343 -1.97994599 2.11148876 0.04609354 1.95912724 3.19136318 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.315E-8 2.94E-8 6.573E-8 1.4699999999E-7 3.2869999999E-7 7.3489999999E-7 0.000001643 0.000003674 0.0000082159999999 0.00001837 0.00004108 0.000091859999999 10563-29-8 82728 144208374 A A Dimethyldipropylenetriamine CN(C)CCCNCCCN Tox21_201176 -NCGC00166259-02 196726332 tox21-ror-cho-viability-p1 set3 4 -0.97359434 -0.26819824 -2.72576803 -0.00727819 -1.27791424 0.41777217 -2.66027467 0.18474027 -3.5851186 0.21621132 -1.8919853 -0.80122763 -5.68418296 -4.64288138 -3.64972295 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5232-99-5 243274 170466489 A Ethyl 2-cyano-3,3-diphenylacrylate O=C(OCC)C(\C#N)=C(\c1ccccc1)c2ccccc2 Tox21_112378_1 -NCGC00263460-01 196725103 tox21-ror-cho-viability-p1 set3 4 0.0074978039 14.106299504 0.893700496 15 4.9549173134 0.4857265892 0.2078050403 1.65857083 0.5265747 0.82809954 4.71600079 21.77695093 18.92040446 21.32523924 14.35886884 14.1207511 14.00102697 22.54469598 -2.58858292 18.09356275 8.5904539 4.18822656 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 137-88-2 8732 170465675 Z Amprolium hydrochloride [Cl-].Cl.CCCc1nc(N)c(cn1)C[n+]2ccccc2C Tox21_110740_1 -NCGC00249912-01 196725922 tox21-ror-cho-viability-p1 set3 4 9.4391758155 -9.424383176 -0.5 -9.924383176 4.9549173134 0.5478487537 0.138069941 0 0 2.53305924 3.53439673 -6.51966497 -0.233705 3.1637103 -6.80067936 -1.13977625 -1.3782692 -1.48720602 -0.11018671 -4.71050594 -11.18698598 -8.3970602 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23779-99-9 3360 170465681 I F Floctafenine OCC(O)COC(=O)c3ccccc3Nc1ccnc2c(cccc12)C(F)(F)F Tox21_113688 -NCGC00163818-04 196726348 tox21-ror-cho-viability-p1 set3 4 3.8570778872 -9.0588419359 0 -9.0588419359 1.21 0.696551832 0.0400592801 2.75324956 0.77214596 -0.49185327 -0.68791555 -0.32704645 1.72602703 -4.7796967 -5.03676714 2.71753396 -2.41555677 -4.07295073 -6.49301157 -9.63236828 -9.37052036 -7.41575802 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00256984-01 196726753 tox21-ror-cho-viability-p1 set3 4 0.0030637859 18.412901328 -20.412901328 -2 1.4641 0.3928234764 0.2950835845 -17.84408444 -14.06714411 0 -14.30488773 0 0 0 0 0 0 0 0 -16.97536253 -4.06406962 -9.36075881 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 830-13-7 13246 144213365 A A Cyclododecanone O=C1CCCCCCCCCCC1 Tox21_303048 -NCGC00256643-01 196726772 tox21-ror-cho-viability-p1 set3 4 0.0066715513 -13.153650524 1 -12.153650524 4.9549173134 0.3222758162 0.3608776699 2.97661503 -1.24811608 1.03283598 -5.26345222 -18.27841662 -0.99428569 -19.8251476 -20.54905762 0 -23.04470877 -18.38703633 -18.58470074 -3.06610283 -0.25929312 -2.64478295 5.891E-10 1.317E-9 2.9459999999E-9 6.587E-9 1.4729999999E-8 3.293E-8 7.3639999999E-8 1.647E-7 3.682E-7 8.233E-7 0.0000018409999999 0.000004117 0.0000092049999999 0.000020579999999 0.00004602 13446-18-9 202877 144212781 Magnesium dinitrate hexahydrate O.[Mg+2].O.O.O.O.O.[O-][N+]([O-])=O.[O-][N+]([O-])=O Tox21_302464 -NCGC00257189-01 196726774 tox21-ror-cho-viability-p1 set3 4 2.7306020303 5.8979691039 -2.3979691039 3.5 3.1319983358 0.5396081019 0.1456069427 0.68804658 0.14277873 -0.69279571 -4.69429945 -3.58977053 -6.58164092 -0.54776326 -3.2776065 -3.04258871 -0.18606638 0.28603874 8.17278948 0.39757564 3.16068947 3.16359197 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-01-2 7592 144213596 A B Acetoacetanilide O=C(Nc1ccccc1)CC(C)=O Tox21_303279 -NCGC00257263-01 196727166 tox21-ror-cho-viability-p1 set3 4 -0.52659547 -3.67853484 0.88726497 1.09794152 0.73374622 -1.45421422 -17.36839565 -1.68540593 -27.53503573 -3.14568767 -1.51073013 -3.7683881 0.80708013 -2.09799121 -3.36348394 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 125-84-8 2145 144213805 A A Aminoglutethimide CCC1(CCC(=O)NC1=O)c2ccc(N)cc2 Tox21_303497 -NCGC00256502-01 196727167 tox21-ror-cho-viability-p1 set3 4 0.24840917 -0.1545827 -2.10057447 0.7256821 0.22807081 -1.20230885 -1.30660733 1.02429717 1.20302751 1.25298135 -0.11573726 0.52275318 0.56770183 1.87251204 0.84413551 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 105-53-3 7761 144213248 Z A Diethyl propanedioate O=C(CC(=O)OCC)OCC Tox21_302931 -NCGC00256734-01 196727170 tox21-ror-cho-viability-p1 set3 4 76.9588215421 12.63294082 0.36705918 13 4.9549173134 0.5294596652 0.154536478 -0.9055432 0.10772113 0.55657816 -2.67746474 1.34056621 -3.43623128 3.47191114 3.06254614 2.01435387 3.64326642 0.6227531 0.53631237 0.0965467 -3.44411735 10.20634855 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 17351-75-6 3437285 144213037 F Ac 1,4-Bis[(ethenyloxy)methyl]cyclohexane C=COCC1CCC(COC=C)CC1 Tox21_302720 -NCGC00163906-02 196715831 tox21-ror-cho-viability-p1 set2 4 0.93539095 -0.33764932 -5.02235179 -1.04870605 -0.07128368 -3.25089096 1.70719975 -0.78506534 0.40121527 -4.22792575 -0.41655643 1.85751926 -0.29519917 -0.07948139 -2.24040036 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00018218-10 196717487 tox21-ror-cho-viability-p1 set2 4 0.53575988 -0.16365442 1.73049644 1.30595873 2.25282086 0.17922002 0.26587509 -1.02298606 1.72472642 -0.0503387 0.78771438 -0.65429719 -0.81760586 0.02096318 0.95681534 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 89-25-8 4021 170465935 A Edaravone O=C2CC(C)=NN2c1ccccc1 Tox21_112077_1 -NCGC00257576-01 196715834 tox21-ror-cho-viability-p1 set2 4 -4.71259992 -2.5711004 -3.38343089 -2.47130827 -1.81094704 -0.97636492 -0.53705657 -1.1223227 -1.46860615 2.04755371 -0.65129537 0.78203613 0.68033886 -2.43966038 -8.17274239 1.183E-9 2.6459999999E-9 5.916E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.395E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 554-84-7 11137 144207220 A A 3-Nitrophenol O=[N+]([O-])c1cccc(O)c1 Tox21_200022 -NCGC00091011-05 196715428 tox21-ror-cho-viability-p1 set2 2.1 54.4826732819 111.2913577139 -0.9813760189 110.309981695 3.1924983358 0.9968728787 0 -0.5600366 -1.77435003 0.10102437 -0.85790254 -0.10742098 -1.94953872 -2.80683866 -2.80023272 0.57328849 -2.53673817 -2.35805226 0.51517152 4.35535142 29.22347109 93.32485761 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00257625-01 196715833 tox21-ror-cho-viability-p1 set2 -3 69.2178691585 -92.3940395388 -0.7182298459 -93.1122693847 4.9549173134 0.9944098658 0 0.98713144 -2.81500427 -0.37707649 -1.67974176 -2.22347921 1.00239962 -2.16580098 -0.16944549 0.68850824 1.29954498 0.18231312 -1.02260928 -3.1559396 -6.42953381 -75.88275348 1.189E-9 2.6589999999E-9 5.945E-9 1.3289999999E-8 2.9719999999E-8 6.647E-8 1.486E-7 3.323E-7 7.4309999999E-7 0.000001662 0.000003716 0.0000083079999999 0.000018579999999 0.00004154 0.00009289 434-07-1 5281034 144207269 A A Oxymetholone O=C3C[C@@H]4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@]1(C)O)[C@@]4(C)C\C3=C\O Tox21_200071 -NCGC00258120-01 196715842 tox21-ror-cho-viability-p1 set2 4 2.76398635 1.60532714 1.17180869 0.70853439 0.32794484 2.77742806 -0.17371466 -0.09163427 0.29400324 0.30051223 0.45891304 3.49729827 1.54220642 0.48477034 -5.54233132 1.26E-9 2.817E-9 6.299E-9 1.4089999999E-8 3.15E-8 7.043E-8 1.575E-7 3.521E-7 7.874E-7 0.0000017609999999 0.000003937 0.0000088039999999 0.00001969 0.00004402 0.00009843 76-12-0 6427 144207764 1,2-Difluoro-1,1,2,2-tetrachloroethane ClC(Cl)(F)C(Cl)(Cl)F Tox21_200566 -NCGC00257864-01 196715843 tox21-ror-cho-viability-p1 set2 4 -6.61815834 1.44207404 0.00486038 1.01488276 -3.54478931 -4.32418596 3.00614848 1.13961306 -7.15696005 -7.07240621 0.19273187 -5.87052397 -6.7955061 1.66170858 -14.27715265 1.1999999999E-9 2.683E-9 5.999E-9 1.3409999999E-8 2.999E-8 6.707E-8 1.5E-7 3.353E-7 7.499E-7 0.000001677 0.000003749 0.000008384 0.00001875 0.00004192 0.00009373 3101-60-8 18360 144207508 A F tert-Butyl phenyl glycidyl ether CC(C)(C)c2ccc(OCC1CO1)cc2 Tox21_200310 -NCGC00258560-01 196715845 tox21-ror-cho-viability-p1 set2 4 0.65831654 0.27397855 0.10841154 -0.51979435 1.69583441 0.54992871 -1.80001397 0.96938951 1.01849535 -2.11496695 0.64952876 0.22059149 1.03659172 0.09410268 0.26598715 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.65E-8 1.487E-7 3.325E-7 7.435E-7 0.000001663 0.000003718 0.000008313 0.00001859 0.00004156 0.000092939999999 1074-82-4 3356745 144208205 D Potassium 1,3-dioxo-1,3-dihydroisoindol-2-ide [K+].O=C1[N-]C(=O)c2ccccc12 Tox21_201007 -NCGC00257787-01 196715847 tox21-ror-cho-viability-p1 set2 4 0.0019567327 -6.1439610319 5 -1.1439610319 4.0949729863 0.3643398745 0.3133725506 4.1133742 0.23059937 -0.365133 0.02970194 -5.95330086 0.08637633 -0.05232058 1.13749039 -0.36427024 -0.25161799 0.19278883 -2.9941264 -0.40782472 -1.67389532 -3.82578473 1.1919999999E-9 2.6659999999E-9 5.9609999999E-9 1.333E-8 2.981E-8 6.6649999999E-8 1.49E-7 3.3329999999E-7 7.452E-7 0.0000016659999999 0.000003726 0.0000083309999999 0.00001863 0.00004166 0.00009315 1477-42-5 15132 144207431 A A 2-Amino-4-methylbenzothiazole Cc1cccc2sc(N)nc12 Tox21_200233 -NCGC00258224-01 196715849 tox21-ror-cho-viability-p1 set2 4 -3.90297366 -2.41878077 -3.20248849 0.76322407 -2.91528689 -1.61877092 -4.38696152 -4.37346651 -2.66738166 -2.49276415 -4.29284555 0.46343844 -1.05695078 -2.98595223 -3.16804528 1.165E-9 2.606E-9 5.827E-9 1.303E-8 2.9139999999E-8 6.515E-8 1.457E-7 3.2579999999E-7 7.284E-7 0.000001629 0.0000036419999999 0.000008144 0.00001821 0.000040719999999 0.000091049999999 17700-09-3 28697 144207868 A A 2,3,4-Trichloronitrobenzene Clc1ccc([N+]([O-])=O)c(Cl)c1Cl Tox21_200670 -NCGC00258536-01 196716669 tox21-ror-cho-viability-p1 set2 4 -3.05588139 -14.30850078 -8.28971747 -13.00157916 -8.52382517 -9.27428643 -8.18217171 -2.25180853 -1.60001557 -2.88872065 -1.24693055 -8.65739798 -12.05007788 -9.11710821 -9.58426331 1.155E-9 2.583E-9 5.775E-9 1.291E-8 2.8879999999E-8 6.457E-8 1.444E-7 3.229E-7 7.2189999999E-7 0.000001614 0.0000036099999999 0.000008071 0.000018049999999 0.00004036 0.000090239999999 110-46-3 8053 144208181 D 3-Methylbutyl nitrite CC(C)CCON=O Tox21_200983 -NCGC00258288-01 196716672 tox21-ror-cho-viability-p1 set2 4 0.91963933 1.65797419 -7.07608115 -0.1605349 4.91888535 3.12933513 0.99642834 0.42013295 -0.00690993 0.54251252 -5.68671443 0.54068946 -0.1698797 1.20254237 0.57827897 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.3169999999E-8 2.944E-8 6.583E-8 1.472E-7 3.291E-7 7.3599999999E-7 0.0000016459999999 0.00000368 0.000008228 0.000018399999999 0.000041139999999 0.000092 541-69-5 10941 144207932 A B 1,3-Benzenediamine dihydrochloride Cl.Cl.Nc1cccc(N)c1 Tox21_200734 -NCGC00259017-01 196708429 tox21-ror-cho-viability-p1 set2 4 27.8901987353 -8.89601774 -1 -9.89601774 4.9549173134 0.7536294374 0.0187704424 -5.80600228 -0.05645872 -2.34873192 0.40830325 1.41040141 0.3096484 0.60757835 -0.42124775 -0.18288958 -1.86434947 -1.98701352 -0.78558947 -1.61064079 -9.45873107 -9.49668145 1.2009999999E-9 2.6849999999E-9 6.0029999999E-9 1.3419999999E-8 3.0009999999E-8 6.711E-8 1.501E-7 3.356E-7 7.5029999999E-7 0.0000016779999999 0.0000037519999999 0.0000083889999999 0.00001876 0.00004195 0.00009379 67747-09-5 73665 144208664 A A Prochloraz O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2 Tox21_201466 -NCGC00253596-01 196722323 tox21-ror-cho-viability-p1 set3 4 0.16785492 -5.9362286119 5 -0.9362286119 4.9549173134 0.3761909971 0.3118170116 0.22748856 0.21110753 9.88274885 0.04699092 9.32453464 8.38302877 7.27727174 2.35831859 -2.70649094 4.59024375 -1.50963836 -2.68891877 -5.78019051 1.85969239 14.8604377 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 113-18-8 5284556 170464750 Z A Ethchlorvynol C#CC(O)(/C=C\Cl)CC Tox21_113732 -NCGC00181305-01 196723112 tox21-ror-cho-viability-p1 set3 4 29.8492948118 29.110722024 2.389277976 31.5 2.3331733767 0.6565172963 0.0603221378 0.40712734 0.84493693 3.40490843 13.35583194 -3.22146428 -4.25893502 -0.14045822 0.81393733 5.95656773 5.16010876 4.54520053 -0.48567898 4.10942922 10.77244501 23.74860964 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 18917-95-8 3045402 144206333 F A Magnesium salicylate tetrahydrate O.O.O.O.O=C3O[Mg]2(Oc1ccccc1C(=O)O2)Oc4ccccc34 Tox21_112780 -NCGC00247678-01 196723133 tox21-ror-cho-viability-p1 set3 4 -0.40724382 -1.67260208 12.30125086 11.18585492 10.77634807 0.14358354 7.57085097 4.15534178 7.24390514 1.71605995 6.74805476 -0.52874954 12.47896257 4.74718317 8.25670444 1.32E-9 2.952E-9 6.601E-9 1.476E-8 3.3E-8 7.38E-8 1.65E-7 3.69E-7 8.2509999999E-7 0.000001845 0.0000041249999999 0.0000092249999999 0.000020629999999 0.000046119999999 0.00010309999999 53757-34-9 3041255 144206380 A A (-)-alpha-Methadol hydrochloride Cl.O[C@@H](CC)C(C[C@H](C)N(C)C)(c1ccccc1)c2ccccc2 Tox21_112827 -NCGC00256649-01 196707598 tox21-ror-cho-viability-p1 set1 4 -3.55879556 1.5728562 4.03765538 -7.55742594 1.70451434 -3.72016396 -1.41842275 1.32379512 3.96651113 0.60806035 -5.79044134 2.81875193 3.54921855 5.69378646 -3.51260705 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 1638-22-8 15420 144212911 A A 4-Butylphenol Oc1ccc(CCCC)cc1 Tox21_302594 -NCGC00259944-01 196708421 tox21-ror-cho-viability-p1 set2 -3 68.4501412252 -87.4531389114 1.5807840659 -85.8723548455 4.9549173134 0.9884886587 1.9E-9 0.81523928 1.74477942 0.64388505 0.60423392 0.83275772 1.29920439 4.05536978 -0.21186873 2.71810535 -0.10473936 -0.36857872 0.13706691 2.16347968 0.66876507 -70.13678956 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 50-55-5 5770 144209593 A A Reserpine COc1cc(cc(OC)c1OC)C(=O)O[C@@H]3C[C@@H]4CN5CCc2c6ccc(OC)cc6nc2[C@H]5C[C@@H]4[C@@H]([C@H]3OC)C(=O)OC Tox21_202395 -NCGC00258872-01 196708437 tox21-ror-cho-viability-p1 set2 4 0.0796273796 5.4166827361 0.5833172639 6 0.9999999999 0.5703914768 0.1212754671 2.7720082 0.32784384 0.81089985 -0.76390228 0.90552628 5.41790835 4.31999492 4.47686726 5.95733542 6.7621926 2.55817933 3.97505016 10.22255618 7.92116802 4.90894967 1.214E-9 2.7139999999E-9 6.0679999999E-9 1.357E-8 3.034E-8 6.7839999999E-8 1.517E-7 3.3919999999E-7 7.5849999999E-7 0.000001696 0.0000037919999999 0.00000848 0.00001896 0.000042399999999 0.00009481 112-50-5 8190 144208518 A A 2-[2-(2-Ethoxyethoxy)ethoxy]ethanol OCCOCCOCCOCC Tox21_201320 -NCGC00259628-01 196708856 tox21-ror-cho-viability-p1 set2 4 0.13666072 -5.03929323 0.07632884 -2.97358223 1.32042311 1.09577337 -2.75347169 -1.11794743 -1.96816047 -2.00440179 -2.72937494 -2.04009806 1.26011066 -1.2974606 0.95147212 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.558E-8 1.466E-7 3.279E-7 7.3319999999E-7 0.0000016399999999 0.0000036659999999 0.000008198 0.00001833 0.00004099 0.00009165 76738-62-0 616765 144209277 A A Paclobutrazol OC(C(Cc1ccc(Cl)cc1)n2cncn2)C(C)(C)C Tox21_202079 -NCGC00163930-04 196709268 tox21-ror-cho-viability-p1 set2 -2.4 68.5896218971 -33.874471076 1 -32.874471076 4.9549173134 0.9440215986 0.0000156392 -0.2685565 1.95880199 3.31872563 2.98543897 1.21988166 1.1398508 -1.37424985 0.11386253 0.73189645 2.48083041 -1.90030581 0.94717481 -1.78116161 0.60471932 -26.56205923 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00259066-01 196709270 tox21-ror-cho-viability-p1 set2 4 49.051958674 -19.17282044 -1 -20.17282044 2.3331733767 0.9093279268 0.0001993846 0.24182812 0.80695989 -0.59093701 -1.54846524 -0.89155935 0.4702305 -2.62106152 0.18699765 -0.03918463 -4.6924742 -0.99643565 -0.9285238 -1.52156307 -9.19369064 -16.8106837 1.19E-9 2.6619999999E-9 5.9519999999E-9 1.331E-8 2.976E-8 6.655E-8 1.4879999999E-7 3.3269999999E-7 7.44E-7 0.0000016639999999 0.00000372 0.0000083179999999 0.0000186 0.00004159 0.000093 2164-09-2 16560 144208714 A A Chloranocryl Clc1ccc(NC(=O)C(=C)C)cc1Cl Tox21_201516 -NCGC00259679-01 196709675 tox21-ror-cho-viability-p1 set2 4 -0.00091731 0.90204959 -1.34124585 0.86940754 -1.35441666 0.42079583 0.63303458 0.01526153 0.46985721 0.75020513 2.59761608 -0.12707976 1.29424663 0.34245752 0.62155231 1.158E-9 2.589E-9 5.789E-9 1.2949999999E-8 2.8949999999E-8 6.473E-8 1.447E-7 3.2359999999E-7 7.2359999999E-7 0.000001618 0.000003618 0.000008091 0.000018089999999 0.00004045 0.000090459999999 3883-43-0 5284382 144209328 D 2,3-Dichloro-p-dioxane Cl[C@H]1OCCO[C@@H]1Cl Tox21_202130 -NCGC00259807-01 196709684 tox21-ror-cho-viability-p1 set2 4 1.97577427 -0.34909214 1.32335572 -1.3812393 -0.28256689 0.24689874 2.80478192 1.47327513 1.75959982 0.05945552 2.73212178 2.195914 2.7572661 2.15674194 1.18087135 1.206E-9 2.697E-9 6.0309999999E-9 1.349E-8 3.016E-8 6.743E-8 1.5079999999E-7 3.371E-7 7.539E-7 0.0000016859999999 0.000003769 0.000008429 0.00001885 0.00004214 0.000094239999999 25340-17-4 8657 144209456 AC Fc Diethylbenzene CCc1ccccc1CC Tox21_202258 -NCGC00259371-01 196709688 tox21-ror-cho-viability-p1 set2 4 0.11489086 -0.02463567 -2.12894981 -1.60623233 -0.3442028 -0.33835965 -0.9246846 -0.01849665 -0.97456204 0.06533503 0.174498 -1.43647548 -1.16236999 -1.80325075 -9.03006891 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.61E-8 1.4779999999E-7 3.305E-7 7.3899999999E-7 0.0000016519999999 0.0000036949999999 0.000008262 0.000018469999999 0.00004131 0.00009237 25013-16-5 8456 144209020 A A Butylated hydroxyanisole CC(C)(C)c1cc(ccc1O)OC Tox21_201822 -NCGC00255445-01 196710534 tox21-ror-cho-viability-p1 set2 1.4 0.0017211415 22.816615432 -25.739597768 -2.922982336 4.4494702849 0.7088030514 0.034396284 -22.28299814 -6.46034531 -0.35248528 -2.4738556 -1.02113776 -13.21529815 -3.40244893 -2.45920868 -5.11477588 -2.35815907 -1.52027073 -2.70005271 -5.13700083 -0.37539436 -0.71134663 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 24650-42-8 90571 144212467 A A 2,2-Dimethoxy-1,2-diphenylethanone COC(OC)(C(=O)c1ccccc1)c2ccccc2 Tox21_302150 -NCGC00255704-01 196710122 tox21-ror-cho-viability-p1 set2 -3 62.2235341678 -88.3002027832 -0.262355824 -88.5625586072 4.5044702849 0.9935473511 1E-10 1.54216252 0.87445835 -1.42397406 -1.87480565 -0.83736582 0.57519754 0.22387769 0.87602134 -0.61314433 0.92069267 -0.12996679 -2.63270784 -3.81173141 -7.87830062 -71.08139572 1.088E-9 2.432E-9 5.439E-9 1.216E-8 2.7189999999E-8 6.08E-8 1.36E-7 3.0399999999E-7 6.7979999999E-7 0.0000015199999999 0.000003399 0.000007601 0.000017 0.000037999999999 0.00008498 122-18-9 31202 144212396 A A Benzylhexadecyldimethylammonium chloride [Cl-].C[N+](C)(Cc1ccccc1)CCCCCCCCCCCCCCCC Tox21_302079 -NCGC00258517-01 196730515 tox21-ror-cho-viability-p1 set3 4 10.8375660046 -7.8506420399 -1 -8.8506420399 3.1319983358 0.6001640339 0.0977437856 1.08079692 -4.28554308 -2.35137373 0.61960836 0.35831202 1.36927141 -5.39946694 -3.21518392 0 -0.71405481 -0.08948603 -0.99983136 -11.5422017 -9.33598365 -5.61087311 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.354E-7 0.0000016439999999 0.0000036769999999 0.0000082219999999 0.000018379999999 0.00004111 0.00009192 112-73-2 8210 144208162 A Bc Diethylene glycol dibutyl ether CCCCOCCOCCOCCCC Tox21_200964 -NCGC00258285-01 196730519 tox21-ror-cho-viability-p1 set3 4 27.1394921295 -22.18323728 2.5 -19.68323728 4.9549173134 0.9317842064 0.0000450514 0.4231909 5.39636069 1.84266739 0.72950738 -0.47269262 2.43820184 2.23813502 3.39631222 1.96021915 1.44314416 1.43059398 3.9530236 3.75930433 -19.3193644 -18.16011973 1.1739999999E-9 2.624E-9 5.8689999999E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091699999999 17564-64-6 87154 144207929 A A 2-(Chloromethyl)-1H-isoindole-1,3(2H)-dione O=C2c1ccccc1C(=O)N2CCl Tox21_200731 -NCGC00253742-01 196717512 tox21-ror-cho-viability-p1 set2 4 -2.05617588 2.54267053 1.16940854 0.9508352 1.05796508 -2.07611015 -1.43388394 3.7965354 0.35517918 2.70300089 3.31476462 -1.19279749 2.60506505 1.25462123 3.72635011 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 548-00-5 54685524 170466152 F A Ethyl biscoumacetate OC=1c4ccccc4OC(=O)C=1C(C2=C(O)c3ccccc3OC2=O)C(=O)OCC Tox21_113859 -NCGC00091219-08 196717499 tox21-ror-cho-viability-p1 set2 4 1.97134119 0.03454003 2.01393386 2.30367358 5.95955433 5.85147448 3.65398596 5.40708399 4.06493385 0.67459633 3.21351934 0.99661923 3.09352548 -0.1038299 0.84576762 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 134-62-3 4284 170466080 A DEET Cc1cccc(c1)C(=O)N(CC)CC Tox21_111103_1 -NCGC00185768-01 196717500 tox21-ror-cho-viability-p1 set2 4 10.5909294584 -19.6619676959 2.5 -17.1619676959 0.7999999999 0.8928609995 0.0004580751 -0.56415766 1.89215159 2.7960887 3.99365215 2.52787549 4.00620351 3.55857276 5.43485265 -1.56685221 -1.46413937 -0.59548492 -2.880332 -6.08801832 -10.58916925 -12.63497308 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 91599-74-5 656667 144207147 A A rac Benidipine hydrochloride Cl.[O-][N+](=O)c1cccc(c1)[C@@H]2C(C(=O)OC)=C(C)NC(C)=C2C(=O)O[C@@H]4CCCN(Cc3ccccc3)C4 Tox21_113598 -NCGC00091839-03 196717505 tox21-ror-cho-viability-p1 set2 4 1.37053472 -0.08366828 3.15219085 5.63481838 7.66928719 5.44842479 8.56793643 7.33455152 5.06967807 4.41136645 4.18636418 3.49846247 2.49033579 -1.02823387 -0.48191921 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00017280-23 196717915 tox21-ror-cho-viability-p1 set2 4 -1.52185273 -2.6037466 -1.60479647 -5.568474 -2.70825466 -3.74132312 -0.63462191 -3.53662452 0.08944215 -0.70642039 0.5534691 -2.12836712 -0.99825625 2.25586187 1.80439739 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 302-79-4 444795 170465045 B all-trans-Retinoic acid CC=1CCCC(C)(C)C=1/C=CC(\C)=C\C=C\C(\C)=C\C(=O)O Tox21_110812_1 -NCGC00166149-02 196717918 tox21-ror-cho-viability-p1 set2 4 0.2371013766 -4.854745664 3 -1.854745664 4.9549173134 0.57410145 0.1180890921 1.03846475 1.71644743 -0.34810456 3.23755362 2.14985166 5.73312361 6.09319182 3.84334796 -3.0473325 -0.71383439 -0.43413217 -3.53522723 -4.87895472 -0.25838481 0.05336802 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 150824-47-8 3034287 170466859 A (E)-Nitenpyram Clc1ccc(CN(CC)C(=C\[N+]([O-])=O)\NC)cn1 Tox21_112342_1 -NCGC00090721-03 196714611 tox21-ror-cho-viability-p1 set2 4 2.37117078 3.24467416 0.89818799 -0.9597892 3.10399703 1.15266106 3.12191964 2.99787762 -0.51289251 -0.41655889 -0.73284697 -1.06384329 4.84840391 -1.85726568 1.90130684 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00254437-01 196714209 tox21-ror-cho-viability-p1 set2 4 2.82894314 1.91148874 1.5945949 1.09910922 -0.35339248 3.15104991 1.91715613 0.09729661 0.35925237 0.53164027 1.51598358 0.45015155 4.48254877 1.95560449 -1.41844933 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 334-48-5 2969 144210684 A A Decanoic acid O=C(O)CCCCCCCCC Tox21_300366 -NCGC00254707-01 196714213 tox21-ror-cho-viability-p1 set2 4 -1.12651033 -1.13497287 2.37859644 -1.76096363 -1.4505251 1.51751778 3.72933886 -1.22945947 3.24081184 0.2787967 -1.19136918 8.15462431 7.99527686 5.02252024 4.15191686 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10281-55-7 10887985 144211120 FNS (S)-Citronellene C=C[C@@H](C)CC\C=C(\C)C Tox21_300803 -NCGC00091146-04 196714216 tox21-ror-cho-viability-p1 set2 4 -3.65711712 -5.3920978 -13.61748938 0.01233259 -7.0032903 -5.9844722 -10.79923093 -9.90116705 -4.62688694 -3.65340832 -7.45195912 -0.55491482 -0.434237 -4.11925631 -0.87659601 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00254696-01 196714629 tox21-ror-cho-viability-p1 set2 4 1.68684108 0.82416522 0.32622981 2.65885105 0.82811813 4.63086441 1.55572933 0.71455949 5.50562608 5.14293948 2.27494617 6.41565282 8.26017645 5.22021844 5.5140804 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-41-7 7559 144211109 A A Methyl phenylacetate O=C(OC)Cc1ccccc1 Tox21_300792 -NCGC00254553-01 196715033 tox21-ror-cho-viability-p1 set2 4 12.31452306 10.24805165 3.71348735 1.19532161 2.38789948 12.87392093 10.51378751 1.85678472 13.15346563 12.44214161 11.78732438 0.38077188 15.55683969 1.62945999 3.66495818 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68359-37-5 104926 144210962 C Cyfluthrin Cl\C(Cl)=C/C3C(C(=O)OC(C#N)c2ccc(F)c(Oc1ccccc1)c2)C3(C)C Tox21_300645 -NCGC00159417-06 196698631 tox21-ror-cho-viability-p1 set1 -2.1 39.4746922522 -106.4964359442 2.0528320939 -104.4436038503 2.2526478767 0.9907789073 5E-10 6.32679812 7.8544827 4.69026175 2.77023017 -0.77266097 -1.08194633 1.45264943 -0.20877288 2.44138439 -1.29370719 1.02942947 -1.3097381 -15.1679982 -53.68772643 -91.61719636 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00090962-05 196698221 tox21-ror-cho-viability-p1 set1 4 60.7577547203 -19.3118484159 -1.5 -20.8118484159 3.1319983358 0.6425983174 0.0688778037 -5.8783704 -7.58573961 -0.54555454 1.00497235 -0.84106168 0.19204422 -0.03330637 0.22634091 -5.82636594 0.00947485 3.23080284 -2.78223659 1.01241123 -6.57818845 -16.50987368 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00167980-02 196698621 tox21-ror-cho-viability-p1 set1 4 -2.20120463 -1.45851012 -0.53961533 -1.87810516 2.33769805 0.39246247 2.56370427 3.33350365 2.48432585 1.1063074 -1.02853708 -0.15591267 2.90740648 2.23762281 2.04994514 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52549-17-4 4888 170465811 B Pranoprofen O=C(O)C(C)c1cc2Cc3cccnc3Oc2cc1 Tox21_112601_1 -NCGC00163774-04 196698623 tox21-ror-cho-viability-p1 set1 4 -2.79339592 0.79688499 -1.22375098 -2.16558104 -4.77861925 -0.18931565 -4.43441739 -3.10992653 -2.50732958 -2.08773817 0.1683841 0.65315066 -1.59843286 4.62496567 -1.93537288 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00163927-04 196698633 tox21-ror-cho-viability-p1 set1 4 3.08624611 -0.218684 -5.0068119 2.32161548 2.44873674 1.65972324 1.95157627 -4.17027601 2.72733395 4.21102084 -3.72456274 1.90998119 -3.088382 -2.57310989 5.42475173 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00018097-06 196698642 tox21-ror-cho-viability-p1 set1 4 1.12702826 0.77552416 3.99932351 0.55663456 0.3414971 -3.55622616 -3.32019676 -0.26220697 0.57718196 0.38672469 -0.38917995 1.21827194 0.55453482 -0.15637912 1.1606749 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 70-70-2 6271 170465896 A Paroxypropione O=C(CC)c1ccc(O)cc1 Tox21_110822_1 -NCGC00015430-06 196697813 tox21-ror-cho-viability-p1 set1 4 -2.9041418 -1.285456 -2.52785277 -3.20466811 -1.930358 -1.33919452 -1.91482872 0.13398319 -5.9713253 -3.24712443 -0.38503787 -4.29142643 -3.52989785 -1.31190302 2.15468055 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1944-12-3 5702161 170465657 A Fenoterol hydrobromide Br.Oc1cc(cc(O)c1)C(O)CNC(C)Cc2ccc(O)cc2 Tox21_110581_1 -NCGC00356975-01 196723970 tox21-ror-cho-viability-p1 set3 4 -4.25560431 0.30885 0.9647354 -1.2543487 -8.37387431 -0.96200002 -7.17105163 -0.53233385 -1.92686326 -4.25690565 -9.02569283 -4.48694711 -0.00153168 -5.78382847 -6.54269316 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 591-12-8 11559 251919822 F alpha-Angelica lactone CC1=CCC(=O)O1 Tox21_303997 -NCGC00260127-01 196723982 tox21-ror-cho-viability-p1 set3 4 3.441120471 -7.13346022 4 -3.13346022 1.4787409999 0.4658895197 0.2106122035 -2.71876471 5.10015005 0.38250113 1.79065771 7.05670476 5.56485029 7.16593543 6.44520763 6.44683345 -1.87728734 1.77716692 -1.67879419 -0.67195533 -6.36121685 -1.91416051 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.953E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.000001651 0.0000036909999999 0.000008253 0.000018449999999 0.000041259999999 0.00009227 40372-72-3 162012 144209776 F Fns 4,4,15,15-Tetraethoxy-3,16-dioxa-8,9,10,11-tetrathia-4,15-disilaoctadecane CCO[Si](OCC)(OCC)CCCSSSSCCC[Si](OCC)(OCC)OCC Tox21_202578 -NCGC00260088-01 196723985 tox21-ror-cho-viability-p1 set3 4 0.0852089134 6.45593544 -2.45593544 4 2.7202212143 0.6922962537 0.051571881 -5.3799462 -2.98475207 0.46074427 -2.45972559 -0.59028567 -1.92436727 4.40706742 6.56148474 1.89244015 4.81594166 5.25122813 6.17463591 1.32653524 1.67171433 -8.80823901 1.167E-9 2.61E-9 5.836E-9 1.305E-8 2.918E-8 6.524E-8 1.459E-7 3.262E-7 7.294E-7 0.000001631 0.0000036469999999 0.0000081549999999 0.000018239999999 0.00004078 0.00009118 8046-19-3 144209737 F Styrax balsam Tox21_202539 -NCGC00182989-01 196697816 tox21-ror-cho-viability-p1 set1 4 -0.37170715 -2.41616373 3.15465671 -3.18080074 0.55396803 3.02951589 1.05040196 3.69168093 1.0356361 -5.04717493 0.10369495 -3.31917446 0.35947842 0.67171011 5.25023873 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 631-27-6 71793 144206854 A A Glyclopyramide O=C(NS(=O)(=O)c1ccc(Cl)cc1)NN2CCCC2 Tox21_113303 -NCGC00249909-01 196697822 tox21-ror-cho-viability-p1 set1 4 -1.79357618 9.64557855 6.56369383 -1.33184789 1.37906306 6.9419172 5.60203188 -0.3069555 1.92096984 0.11310241 -1.59779083 -1.76386549 -0.90694239 0.73366629 0.27764508 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4378-36-3 20395 170465618 A I Fenbutrazate CCC(c1ccccc1)C(=O)OCCN2CCOC(C2C)c3ccccc3 Tox21_113685 -NCGC00018194-08 196698237 tox21-ror-cho-viability-p1 set1 4 1.79928885 0.16469668 -1.02091923 -1.38166728 2.24900768 0.88934697 -1.60736359 0.69278264 -5.93002657 -5.87354493 1.2659332 0.35999503 -6.01711128 1.34169938 0.44469303 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 73-48-3 2315 170465156 A Bendroflumethiazide FC(F)(F)c1cc2NC(NS(=O)(=O)c2cc1S(N)(=O)=O)Cc3ccccc3 Tox21_110365_1 -NCGC00255118-01 196710941 tox21-ror-cho-viability-p1 set2 4 -2.04949891 -0.76926384 0.41149413 -3.28814592 -0.31407846 0.40529765 -0.30606942 -0.23045676 2.55868538 4.15075961 -0.22565134 0.05931468 3.62373906 4.89995899 5.72647699 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22398-80-7 31170 144212597 Indium(III) phosphide [In]#P Tox21_302280 -NCGC00256063-01 196710927 tox21-ror-cho-viability-p1 set2 4 -1.13768617 -1.73428462 1.63923943 -1.27018647 -10.64832942 -2.61061555 -7.8422667 -6.02530317 1.70319252 -3.24952566 -2.93356683 -1.90788782 -1.24185864 -0.50280878 1.33390953 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.00009175 133-37-9 875 144212369 A A dl-Tartaric acid O=C(O)C(O)C(O)C(O)=O Tox21_302052 -NCGC00091532-04 196710930 tox21-ror-cho-viability-p1 set2 -2.2 31.0121236216 -46.4065111969 -0.395399578 -46.8019107749 1.8616924601 0.9666093195 8.908E-7 -2.35627865 3.06976953 -1.00541727 -0.83159438 -0.08307241 -2.08917278 -1.97808888 -0.80376617 -0.18958544 2.84733618 -1.02336865 -7.92441362 -13.97583595 -26.19317029 -45.88422625 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00255115-01 196710936 tox21-ror-cho-viability-p1 set2 4 0.0054482673 7.281327284 -8.281327284 -1 4.9549173134 0.7039283843 0.0459228014 -5.50271287 -10.65110607 -3.72268267 -0.55551953 -0.39871272 -4.6042881 0.0030269 -1.77124224 0.56296029 -2.54576499 0.37022607 -0.52287271 -0.77911071 -0.21222716 -7.00253598 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 30399-84-9 21859 144212593 A Z Isooctadecanoic acid O=C(O)CCCCCCCCCCCCCCC(C)C Tox21_302276 -NCGC00091011-05 196711335 tox21-ror-cho-viability-p1 set2 2.1 61.130564862 197.8572979847 1.3331191417 199.1904171264 2.9022712143 0.9933829768 1E-10 -3.60510558 -0.60282306 0.54177778 0.02619787 -0.58760271 -1.45369497 1.30902785 -1.30054802 2.6979693 2.03331612 2.17138254 6.36495729 15.21179506 48.89239726 158.08763264 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00163843-03 196712630 tox21-ror-cho-viability-p1 set2 4 -1.05428858 -3.70193569 -2.34516579 -1.12143377 -0.09734708 -3.72419753 -0.3986396 -1.49732853 -2.13967618 0.55422113 -0.3349072 -3.3067728 -2.91918822 -1.19584639 0.28670582 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00357213-01 196712215 tox21-ror-cho-viability-p1 set2 4 6.65743374 3.8471973 4.11627458 6.10842407 5.13162503 4.17728316 12.55602627 9.03552971 12.28484352 7.32887382 5.35433219 7.33173564 3.91396577 9.57360462 5.82651546 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-52-7 7145 251919982 B 1,2-dibromo(phenyl)ethane BrCC(Br)c1ccccc1 Tox21_303993 -NCGC00093366-05 196712607 tox21-ror-cho-viability-p1 set2 4 -0.98638867 -1.97970325 -1.98836364 -3.01826561 -2.1996586 -2.32359984 0.39387985 -1.90238994 -2.57535446 -3.99246948 -1.66471572 0.01542094 1.85239164 1.12412412 4.97920508 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98-50-0 7389 170465635 Z (4-Aminophenyl)arsonic acid O=[As](O)(O)c1ccc(N)cc1 Tox21_111204_1 -NCGC00159380-05 196712609 tox21-ror-cho-viability-p1 set2 4 2.6603212004 12.905466256 -5.405466256 7.5 0.2 0.55550597 0.1338071648 -2.85306126 -4.90545632 -0.51936981 -6.17122188 -0.76372447 0.21041719 -0.8291238 0.27258422 0.18874893 -0.24955943 -0.55487387 2.30575057 -0.19306372 0.52089188 5.80223112 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-36-0 7187 170464986 F Benzoyl peroxide O=C(OOC(=O)c1ccccc1)c2ccccc2 Tox21_111619_1 -NCGC00042523-03 196713040 tox21-ror-cho-viability-p1 set2 4 11.8832183006 -12.5801501119 -1.5 -14.0801501119 0.8999999999 0.7049172768 0.0455098544 -0.17258716 -0.66553871 -1.2552736 -3.27344715 -0.11681765 -0.40710099 -3.44952095 -5.7839553 0.11643855 -2.1161149 -2.77898776 -4.57830467 -6.71130812 -10.06679176 -3.98613118 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 102-77-2 7619 170465568 F N-Oxydiethylenebenzothiazole-2-sulfenamide c1cccc2sc(nc12)SN3CCOCC3 Tox21_110976_1 -NCGC00167532-02 196713041 tox21-ror-cho-viability-p1 set2 2.1 29.8492948118 94.359448063 3.9642362669 98.3236843299 2.4729283767 0.9876242802 2.9E-9 5.35641312 6.49968654 2.62457713 -0.04006866 6.1179235 3.58325951 5.75075161 5.48060057 5.40103884 1.6287269 1.2291488 5.76029187 11.08921155 29.02378755 74.83674475 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127294-70-6 65958 170465911 Ac Balofloxacin CNC1CCCN(C1)c2c(F)cc3c(c2OC)N(C=C(C3=O)C(=O)O)C4CC4 Tox21_112529_1 -NCGC00016272-05 196713441 tox21-ror-cho-viability-p1 set2 4 -2.17209087 -2.23413343 -3.75036371 -6.09892838 -5.02070379 -5.33047857 -1.51495026 -5.71023456 -1.8805921 -0.70458615 -1.63759731 -1.1641033 -2.7576091 -2.39683781 -1.65664013 5.899E-12 1.319E-11 2.949E-11 6.595E-11 1.475E-10 3.2969999999E-10 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 60-02-6 60196261 170464954 Z Guanethidine sulfate O=S(=O)(O)O.O=S(=O)(O)O.N=C(N)NCCN1CCCCCCC1 Tox21_110340_1 -NCGC00164556-02 196713443 tox21-ror-cho-viability-p1 set2 4 -1.21428833 -4.64545796 -2.15723999 -0.18486169 -0.19620302 0.18405754 -1.75963996 -4.75751097 -2.41552451 -1.49938786 0.08805262 -0.32889764 0.31974081 -0.14918609 1.0044816 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 13189-98-5 134669 170465764 Z Fudosteine OCCCSC[C@H](N)C(=O)O Tox21_112185_1 -NCGC00357166-01 196724262 tox21-ror-cho-viability-p1 set3 4 -2.60556533 -1.37844501 -3.48771736 0.57644633 3.0990253 6.74197528 -0.99873769 -0.62547473 0.35739767 -15.58712919 7.40715576 -15.76557931 -2.12629453 -1.41337685 -7.30333069 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-54-8 7304 251919976 F 1-Methylpyrrole Cn1cccc1 Tox21_303918 -NCGC00259570-01 196724668 tox21-ror-cho-viability-p1 set3 -3 69.3576091162 -62.3984869109 0.1384616429 -62.260025268 4.9549173134 0.8721854015 0.0010661295 -6.0929313 -4.30600453 -1.68207436 -6.88133556 -3.82357588 -1.30323627 4.62301743 -4.18062614 3.36932192 6.4428321 2.32722382 2.00050166 0.73769801 6.73202918 -51.88335439 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.977E-8 6.656E-8 1.4879999999E-7 3.3279999999E-7 7.441E-7 0.0000016639999999 0.000003721 0.00000832 0.0000186 0.0000416 0.000093019999999 396-01-0 5546 144209219 A A Triamterene Nc2nc(N)nc1nc(N)c(nc12)c3ccccc3 Tox21_202021 -NCGC00257728-01 196729206 tox21-ror-cho-viability-p1 set3 4 1.43171516 -1.28057182 4.30198071 3.87624483 1.04424879 1.8075699 2.25565896 0.28808687 -0.97651117 -1.4070551 4.30927257 1.64681799 -1.51310976 -0.84998335 0.70905127 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 881-03-8 13432 144207372 A A 1-Nitro-2-methylnaphthalene [O-][N+](=O)c2c(C)ccc1ccccc12 Tox21_200174 -NCGC00256180-01 196728806 tox21-ror-cho-viability-p1 set3 1.4 0.2433651621 37.100547164 2.899452836 40 0.3 0.5138669331 0.2221241159 -1.75045597 24.16034782 15.01114367 10.29623134 14.0230068 22.30326596 18.29775802 11.54555016 33.25524809 28.57078643 26.76377673 30.86824528 0.70839502 -1.65972904 -3.05580584 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1565-94-2 15284 144212000 A Bisphenol A glycidyl methacrylate C=C(C)C(=O)OCC(O)COc1ccc(cc1)C(C)(C)c2ccc(OCC(O)COC(=O)C(=C)C)cc2 Tox21_301683 -NCGC00258654-01 196729202 tox21-ror-cho-viability-p1 set3 4 -1.62988037 -6.3377967 0.42088611 -6.21096142 0.68053133 -0.80154275 1.90435319 1.22011765 0.02974733 0.56617785 1.44677928 0.77145592 0.27520536 0.90224816 -5.87546298 1.173E-9 2.6229999999E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.3299999999E-7 0.0000016389999999 0.000003665 0.000008195 0.00001833 0.00004098 0.000091629999999 58-54-8 3278 144208300 A A Ethacrynic acid Clc1c(ccc(OCC(=O)O)c1Cl)C(=O)C(=C)CC Tox21_201102 -NCGC00258472-01 196729199 tox21-ror-cho-viability-p1 set3 4 2.23751304 0.77458589 2.25147014 -4.32850232 1.81696415 1.6690229 0.52459417 0.12456674 0.32982135 0.37679919 0.42032898 -14.00728471 -3.51004512 5.85296049 7.05314884 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.593E-8 1.474E-7 3.297E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009214 328-50-7 51 144208116 A Fc alpha-Ketoglutaric acid OC(=O)C(=O)CCC(=O)O Tox21_200918 -NCGC00257867-01 196729222 tox21-ror-cho-viability-p1 set3 4 0.0503408205 10.806393988 -10.806393988 0 4.9549173134 0.4943250488 0.1834161079 -7.50512698 4.26976831 -16.21015979 -18.17199499 -16.08715438 0 0 0 -1.76403391 0 0 0 0.65808553 -1.23229816 0.74919702 1.216E-9 2.72E-9 6.0809999999E-9 1.36E-8 3.041E-8 6.7989999999E-8 1.5199999999E-7 3.4E-7 7.6019999999E-7 0.0000016999999999 0.000003801 0.000008499 0.000018999999999 0.000042499999999 0.00009502 3569-10-6 6440940 144207511 B A Valerenic acid O=C(O)C(\C)=C\[C@@H]1CC[C@@H](C)[C@H]2CCC(C)=C12 Tox21_200313 -NCGC00258575-01 196729224 tox21-ror-cho-viability-p1 set3 -1.1 7.6802321654 -82.2961833894 3.2848506295 -79.0113327599 3.1319983358 0.9984411555 0 0.59695222 3.7978141 3.46322837 5.58879041 4.56197349 2.48807937 2.81299367 4.61479821 2.57137072 1.01198202 -5.09745667 -41.89605264 -75.39670483 -78.714197 -77.76691159 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.000003681 0.00000823 0.000018399999999 0.00004115 0.00009201 96-69-5 7308 144208220 A A 4,4'-Thiobis(6-tert-butyl-m-cresol) CC(C)(C)c2cc(Sc1cc(c(O)cc1C)C(C)(C)C)c(C)cc2O Tox21_201022 -NCGC00258128-01 196729617 tox21-ror-cho-viability-p1 set3 4 -3.02322657 -3.93095789 -4.52498972 -0.00189602 -5.25642663 -2.08703982 -0.23873033 -2.30037089 0.13174277 -0.93786947 0.16457317 0.11120542 1.51319747 0.45066836 0.37942686 1.183E-9 2.645E-9 5.913E-9 1.322E-8 2.9569999999E-8 6.611E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.0000082639999999 0.00001848 0.00004132 0.0000924 14639-25-9 151932 144207772 FNS Chromium picolinate [Cr+3].[O-]C(=O)c1ccccn1.[O-]C(=O)c1ccccn1.[O-]C(=O)c1ccccn1 Tox21_200574 -NCGC00257746-01 196729626 tox21-ror-cho-viability-p1 set3 4 1.57694516 0.69523635 -0.37520941 0.10466963 1.07161841 0.10964297 -0.76611047 1.61682063 0.38890606 3.65747963 1.03076721 0.29912271 2.15429837 1.49964753 4.25119854 1.2319999999E-9 2.754E-9 6.159E-9 1.3769999999E-8 3.079E-8 6.886E-8 1.54E-7 3.443E-7 7.698E-7 0.000001721 0.000003849 0.0000086069999999 0.00001925 0.000043039999999 0.00009623 507-20-0 10486 144207390 FNS t-Butylchloride CC(C)(C)Cl Tox21_200192 -NCGC00258331-01 196729633 tox21-ror-cho-viability-p1 set3 4 0.11705653 -0.24443524 2.8199677 1.5524649 -0.34943731 3.31835366 1.63881991 -0.79576368 0.23340995 2.09347379 2.18800895 3.2434592 0.00223676 -3.57644334 -3.67855966 1.177E-9 2.6319999999E-9 5.884E-9 1.316E-8 2.942E-8 6.579E-8 1.471E-7 3.29E-7 7.356E-7 0.000001645 0.0000036779999999 0.000008224 0.00001839 0.000041119999999 0.000091939999999 110-54-3 8058 144207975 FNS n-Hexane CCCCCC Tox21_200777 -NCGC00159417-06 196730046 tox21-ror-cho-viability-p1 set3 -2.2 44.2913331849 -65.6664504695 2.22096305 -63.4454874195 2.7202212143 0.9860224361 5.9E-9 4.61751628 0.9801609 -0.21239223 0.75433345 1.09345211 0.29753816 2.87763805 3.65962531 2.93518499 6.39227297 -0.1203186 0.70796863 -1.36937152 -27.27729309 -56.39809653 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00258693-01 196716274 tox21-ror-cho-viability-p1 set2 4 -0.06826724 2.66528575 0.17499019 0.16534036 1.25649545 1.7694802 1.78117168 1.64707962 0.17719057 0.54007359 2.12528921 3.83044629 3.29230771 0.43259849 1.92580367 1.16E-9 2.594E-9 5.8009999999E-9 1.297E-8 2.901E-8 6.486E-8 1.45E-7 3.2429999999E-7 7.252E-7 0.000001622 0.0000036259999999 0.000008108 0.000018129999999 0.000040539999999 0.00009065 76-01-7 6419 144208339 A Ac Pentachloroethane ClC(Cl)C(Cl)(Cl)Cl Tox21_201141 -NCGC00254230-01 196719605 tox21-ror-cho-viability-p1 set3 4 13.4062825 8.37934659 10.01715485 12.64350593 3.03848496 10.2434558 17.36958833 5.23897541 16.549035 10.68875085 -0.89173924 11.41372602 13.7661762 10.89061594 13.79229241 8.7889999999E-10 1.965E-9 4.394E-9 9.826E-9 2.1969999999E-8 4.913E-8 1.099E-7 2.457E-7 5.493E-7 0.000001228 0.0000027469999999 0.000006141 0.000013729999999 0.00003071 0.00006866 159138-81-5 178019 144210551 A A Cariporide mesylate O=S(C)(=O)c1cc(ccc1C(C)C)C(=O)/N=C(\N)N.CS(=O)(=O)O Tox21_300231 -NCGC00254493-01 196719625 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -127.9343512717 7.8447362371 -120.0896150346 4.9549173134 0.949964287 0.0000084321 6.90100676 3.82334423 5.2164661 9.54665394 11.1626598 11.70159199 9.87610234 15.37714923 13.09462482 -6.3852393 9.85193247 12.77115263 -3.79940207 3.63363006 -96.6905113 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 291305-06-1 9908126 144210776 A A UK-373911 NS(=O)(=O)c1ccc2c(c1)[C@H](CC[C@H]2c3ccc(Cl)c(Cl)c3)NC Tox21_300458 -NCGC00258657-01 196716287 tox21-ror-cho-viability-p1 set2 4 3.86420395 -0.11022019 5.00762468 5.78209276 1.10947627 1.64425564 5.0887534 2.30691118 3.13511555 2.76109028 0.18330346 3.72323842 2.26564033 0.90215845 0.87499958 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 262297-13-2 11424880 144208303 A 1-Butyl-3-methylimidazolium hydrogensulfate CCCCn1cc[n+](C)c1.[O-]S(=O)(=O)O Tox21_201105 -NCGC00258587-01 196716282 tox21-ror-cho-viability-p1 set2 4 0.18173913 -0.41546469 -6.59263452 -10.76013977 -0.21189603 1.41573499 -2.56991688 -2.77769635 -4.18979065 -0.41703978 -4.35821962 -0.09126275 -0.55947038 -0.44049443 -0.70973361 1.1299999999E-9 2.528E-9 5.652E-9 1.264E-8 2.826E-8 6.319E-8 1.413E-7 3.1599999999E-7 7.065E-7 0.00000158 0.000003533 0.000007899 0.00001766 0.00003949 0.00008831 541-41-3 10928 144208232 FNS Ethyl chloroformate ClC(=O)OCC Tox21_201034 -NCGC00258349-01 196716286 tox21-ror-cho-viability-p1 set2 4 4.5524912 2.9849839 -0.6581214 1.04834204 4.08535192 2.46755669 1.69057293 3.26969369 3.55325913 2.76941884 4.59312052 6.63111235 3.40583097 6.17395862 5.91396316 1.158E-9 2.5879999999E-9 5.7879999999E-9 1.2939999999E-8 2.894E-8 6.471E-8 1.447E-7 3.2359999999E-7 7.235E-7 0.000001618 0.000003618 0.000008089 0.000018089999999 0.00004045 0.00009044 107-40-4 7869 144207993 FNS 2,4,4-Trimethyl-2-pentene C\C(C)=C/C(C)(C)C Tox21_200795 -NCGC00257608-01 196716289 tox21-ror-cho-viability-p1 set2 4 0.16900765 -0.52444398 -3.75525371 -3.45900296 1.09519156 -3.71380242 -3.40760711 -4.26965795 1.99662547 -2.78402395 -2.93312423 1.78690592 0.30165945 -2.64127455 -0.27764994 1.16E-9 2.594E-9 5.8009999999E-9 1.297E-8 2.9E-8 6.486E-8 1.45E-7 3.2429999999E-7 7.251E-7 0.000001621 0.0000036259999999 0.0000081069999999 0.000018129999999 0.000040539999999 0.00009064 41253-21-8 4649906 144207252 A A 1,2,4-Triazole, sodium salt [Na+].[n-]1cncn1 Tox21_200054 -NCGC00258159-01 196716292 tox21-ror-cho-viability-p1 set2 4 -0.20515024 -0.62698407 -0.93747751 -0.01975025 -1.17403518 -1.20515885 -0.67071259 -1.27914991 -0.71529492 -2.04817799 -0.06237144 -1.44595777 -0.11626698 4.00821489 -4.85488534 1.193E-9 2.667E-9 5.964E-9 1.3339999999E-8 2.982E-8 6.668E-8 1.491E-7 3.3339999999E-7 7.455E-7 0.0000016669999999 0.000003728 0.000008335 0.00001864 0.00004168 0.00009319 65039-10-3 11321106 144207803 A A 1-Allyl-3-methylimidazolium chloride [Cl-].C[n+]1ccn(CC=C)c1 Tox21_200605 -NCGC00244579-01 196716296 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -43.694277112 2.5 -41.194277112 4.9549173134 0.9663800273 9.28E-7 4.85655534 4.141947 0.37785584 2.25640489 5.35694482 1.68911146 2.58987852 1.82427697 1.74338616 -0.13722602 1.4273071 5.08410279 2.36257417 1.14182862 -33.07856426 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00185990-04 196716693 tox21-ror-cho-viability-p1 set2 4 0.0023710138 5.2479600119 -5.7479600119 -0.5 4.9549173134 0.3702449035 0.3037609225 -2.47365083 -9.37330001 -1.27380049 -0.29364457 0.08570198 -6.95476303 -0.40741913 1.4120512 -0.62552738 1.17718817 2.58281774 0.98488427 -1.10938987 0.76856966 -1.25077833 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 74103-07-4 6604122 170464659 A Ketorolac OCC(N)(CO)CO.O=C(O)[C@@H]1CCn2c(ccc12)C(=O)c3ccccc3 Tox21_110795_1 -NCGC00263541-01 196716694 tox21-ror-cho-viability-p1 set2 4 0.38502078 1.95121067 2.98120938 4.4260047 3.5509106 6.14755925 1.99049802 1.54139888 2.40382464 -0.8004424 0.37123256 0.09757968 1.28827382 1.60437732 0.41208149 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98769-84-7 127150 170465620 A Reboxetine mesylate CS(=O)(=O)O.CCOc3ccccc3O[C@H](c1ccccc1)[C@H]2CNCCO2 Tox21_110964_1 -NCGC00091011-05 196716706 tox21-ror-cho-viability-p1 set2 2.1 61.130564862 115.4074966217 -0.5728379965 114.8346586252 2.9022712143 0.9877064124 2.8E-9 -2.07107053 0.27593045 -4.2494844 -2.00991088 -5.31399081 1.83527337 -4.34364645 1.68169323 0.496888 0.40651046 0.41365043 3.71286927 5.37074114 25.17052651 88.60698968 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00254863-01 196699916 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -18.220080472 -1 -19.220080472 4.9549173134 0.8639733025 0.0014572878 -0.46110711 -1.11194359 0.33466828 -4.97221572 0.89049483 -2.23104379 -1.58212628 -1.57085821 -0.05220873 0.92604902 0.50454856 -1.83807304 -1.4952623 -2.38695174 -15.60006706 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-21-8 7792 144211278 A A 3,7-Dimethyloctan-1-ol CC(C)CCCC(C)CCO Tox21_300961 -NCGC00091009-05 196699492 tox21-ror-cho-viability-p1 set1 4 24.5259440788 -14.189061484 0.5 -13.689061484 1.8079476909 0.8824760388 0.0007240626 0.40915358 -0.4519105 -0.77458783 1.42755639 1.16348932 1.24209122 0.80381882 -0.85115771 1.47827683 0.21820739 1.1571523 1.73062028 -7.47349049 -7.03602975 -13.49088457 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00090874-04 196699495 tox21-ror-cho-viability-p1 set1 4 2.7639584271 -11.9598902039 2.5 -9.4598902039 0.3 0.6641516894 0.0570303663 -0.12130292 3.3355112 -0.45105689 1.02461308 1.47418904 -0.98955196 -0.5042046 -4.15257009 -0.49935853 -6.38982662 0.10071629 -5.0085186 -5.39464681 -4.79357432 -7.46657517 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00254656-01 196699897 tox21-ror-cho-viability-p1 set1 4 3.6861766 -1.26435311 1.08070529 1.25085367 1.308601 -2.43793151 0.07442629 2.0132242 -0.48772023 2.04024072 0.73119323 3.0068857 3.22031826 -0.83131512 3.29627221 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10217-34-2 154915 144211068 F Triethoxy[2-(7-oxabicyclo[4.1.0]hept-3-yl)ethyl]silane CCO[Si](CCC1CC2OC2CC1)(OCC)OCC Tox21_300751 -NCGC00254090-01 196699917 tox21-ror-cho-viability-p1 set1 -2.4 13.6854287769 -24.804710372 0 -24.804710372 1.4641 0.9679012249 7.154E-7 2.01282258 -1.20809509 0.93684769 -0.40118182 0.42668279 -0.97791704 -1.43225453 0.0057423 0.09861462 0.81821006 -1.26018643 -10.58530131 -15.36547969 -18.18630904 -24.00392531 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47334 24809526 144210582 A A MK-968 Fc1ccccc1[C@@H](F)CO[C@H]2CC[C@@H](CC2)NC=3NC=NC4=NN=CC=34 Tox21_300262 -NCGC00090789-02 196700311 tox21-ror-cho-viability-p1 set1 4 1.32824217 3.05290636 1.04223501 0.0636964 1.01629998 -0.25423107 -1.15776822 0.37228159 0.4559432 -0.04518924 2.97778138 0.7670163 3.56526469 5.0640807 3.16235022 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00255790-01 196700318 tox21-ror-cho-viability-p1 set1 4 0.086349218 -6.3623324319 0 -6.3623324319 4.9549173134 0.4533081372 0.2221896004 -0.3791507 0.83724143 0.44138914 -3.19810306 0.6299242 -0.71871585 -9.37415522 -11.96861036 -3.02634557 -8.81448309 -1.61720276 -11.3578606 -0.38140426 -5.84470153 -5.77016506 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 392-12-1 803 144211682 D F Indole-3-pyruvic acid O=C(O)C(=O)Cc2cnc1ccccc12 Tox21_301365 -NCGC00256268-01 196700322 tox21-ror-cho-viability-p1 set1 4 3.75207648 0.5338501 -0.29984206 0.14040095 3.1613907 1.10490226 0.40485941 3.735475 1.05296242 3.09803287 4.20192835 0.16647106 -0.86953561 3.21129774 0.32815318 1.281E-9 2.863E-9 6.4029999999E-9 1.4319999999E-8 3.2009999999E-8 7.159E-8 1.6009999999E-7 3.579E-7 8.004E-7 0.00000179 0.000004002 0.000008948 0.00002001 0.00004474 0.000099999999999 52628-03-2 90551 144211594 F F 2-Hydroxyethyl methacrylate phosphate O=C(OCCOP(O)(O)=O)C(=C)C Tox21_301277 -NCGC00255182-01 196700326 tox21-ror-cho-viability-p1 set1 4 0.0043277126 -19.8144981119 6 -13.8144981119 0.5 0.5485881057 0.1367709661 3.24894599 -4.20474404 -3.10525582 -14.47632837 -8.80187627 -5.02793043 -5.19719 -13.07814323 -20.26208176 -9.40885001 -10.81436073 -12.56342212 -11.97533051 -14.40554229 -18.26054881 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 35400-43-2 37125 144211675 A A Sulprofos CSc1ccc(OP(=S)(OCC)SCCC)cc1 Tox21_301358 -NCGC00274080-01 196723582 tox21-ror-cho-viability-p1 set3 4 6.6824247267 -10.252965176 5.5 -4.752965176 1.3437170999 0.6687282801 0.0653634501 3.8262551 2.08829638 5.15794144 3.39613303 9.4239181 4.22889894 6.44746712 6.08914324 7.03668608 5.5838682 2.27645086 2.54100591 -0.41633617 -3.12747098 9.96787666 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-27-1 5756 170465807 A Estriol Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)[C@H](O)C[C@@H]12)c4cc3 Tox21_112320_1 -NCGC00179273-03 196723174 tox21-ror-cho-viability-p1 set3 4 -2.66665565 -2.37731004 -1.22607765 -0.9986149 -0.95923804 -3.13571778 -1.96394683 2.23446249 1.36846684 8.36076203 1.19780756 -2.17597251 -7.67966292 -2.35606773 7.93997949 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 49697-38-3 16051942 170464695 F Rimexolone O=C(OC)[C@@]4(C)[C@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_110650_1 -NCGC00091532-06 196723185 tox21-ror-cho-viability-p1 set3 4 42.1632496022 -22.066892712 0.5 -21.566892712 0.5 0.4208653035 0.2522213882 -2.82835641 6.89428649 4.61982787 -4.09363233 -3.68948343 -1.18521908 -2.97661115 6.21728368 -4.14544057 -2.79411354 0.75699137 -9.59718851 -6.98516309 -2.43719287 -14.63907726 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 120-32-1 8425 170465725 A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_111146_1 -NCGC00254010-01 196715123 tox21-ror-cho-viability-p1 set2 4 -0.84807704 -0.09259866 -3.18405527 -5.64399163 -2.34309329 -8.05930995 -1.60999883 -6.7119278 -7.41567049 -4.84662463 -2.80794236 -4.59507973 -6.52168399 -6.07456696 0.183485 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131-18-0 8561 144210624 A A Dipentyl phthalate O=C(OCCCCC)c1ccccc1C(=O)OCCCCC Tox21_300304 -NCGC00253988-01 196714708 tox21-ror-cho-viability-p1 set2 4 0.37280982 -3.68075638 -0.85489884 -3.5909873 -2.88219775 -6.66772012 0.10746826 -6.32658536 -5.3022085 0.8743893 -0.00478898 -5.40776913 -1.82120408 -3.2637858 1.66979933 5.739E-10 1.283E-9 2.87E-9 6.417E-9 1.435E-8 3.2079999999E-8 7.1739999999E-8 1.6039999999E-7 3.587E-7 8.021E-7 0.0000017939999999 0.00000401 0.000008968 0.00002005 0.00004484 10016-20-3 444913 144210622 A alpha-Cyclodextrin O[C@@H]2[C@@H](O)[C@@H]1O[C@H]7O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]2O[C@@H]1CO)[C@H](O)[C@H]3O)[C@H](O)[C@H]4O)[C@H](O)[C@H]5O)[C@H](O)[C@H]6O)[C@H](O)[C@H]7O Tox21_300302 -NCGC00090686-07 196715106 tox21-ror-cho-viability-p1 set2 4 30.6378586933 8.798652672 -0.798652672 8 4.9549173134 0.7979562716 0.0121389251 -0.06007009 -1.2283379 -0.50492806 0.61940585 -0.96296501 -0.71808265 -1.32655788 -1.58222936 -0.34403996 -3.58221056 -1.16407308 0.5749208 -0.59987772 6.89374777 1.51995168 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00253978-01 196715112 tox21-ror-cho-viability-p1 set2 4 -3.15582037 -7.24852871 -3.28578136 -5.7031143 -3.66380147 -9.01115118 -9.62276717 -7.26256691 -6.7072937 -4.69610909 -6.25231125 -6.2662299 -2.83424121 -2.66616163 -1.3811036 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-09-3 7276 144210430 AC Bc Styrene oxide c1ccccc1C2CO2 Tox21_300110 -NCGC00258308-01 196715525 tox21-ror-cho-viability-p1 set2 4 3.28520624 3.91555735 3.47077541 2.50970061 6.86146939 -1.28895624 0.17834937 -0.9877732 0.48291178 0.68395911 2.88676496 0 4.39906088 1.9185598 4.11978088 1.194E-9 2.6689999999E-9 5.969E-9 1.335E-8 2.9839999999E-8 6.6729999999E-8 1.4919999999E-7 3.337E-7 7.4609999999E-7 0.000001668 0.00000373 0.0000083409999999 0.00001865 0.00004171 0.00009326 122-80-5 31230 144207952 A A 4-Aminoacetanilide O=C(C)Nc1ccc(N)cc1 Tox21_200754 -NCGC00258661-01 196715528 tox21-ror-cho-viability-p1 set2 4 4.16739331 3.88111337 6.82710399 5.23265774 6.31928501 5.91526201 2.47632383 4.08674546 3.97394587 2.89580773 -0.15618021 2.45453729 0.13479339 0.91167301 0.90728359 1.218E-9 2.7239999999E-9 6.091E-9 1.3619999999E-8 3.045E-8 6.81E-8 1.5229999999E-7 3.405E-7 7.6129999999E-7 0.000001702 0.0000038069999999 0.000008512 0.00001903 0.00004256 0.00009517 630-20-6 12418 144208307 AC Ac 1,1,1,2-Tetrachloroethane ClCC(Cl)(Cl)Cl Tox21_201109 -NCGC00260267-01 196712238 tox21-ror-cho-viability-p1 set2 4 -2.76641012 -4.11256684 -3.83206336 -3.59721214 -2.85705008 -4.77252805 -6.22038424 -9.22742902 -12.40097431 -31.23672083 0 -7.4888326 0 -7.28007196 -0.13563696 1.3079999999E-9 2.925E-9 6.541E-9 1.463E-8 3.27E-8 7.313E-8 1.635E-7 3.6559999999E-7 8.1759999999E-7 0.000001828 0.000004088 0.000009141 0.00002044 0.0000457 0.0001022 111-25-1 8101 144209917 Fns 1-Bromohexane BrCCCCCC Tox21_202719 -NCGC00260488-01 196711807 tox21-ror-cho-viability-p1 set2 4 0.0048409629 14.150596424 -9.150596424 5 4.9549173134 0.5372376078 0.1461028775 0.23327272 -18.87549702 2.41514011 4.26325437 0.46679054 3.22036919 7.55601595 11.13972343 9.28922561 4.14690374 6.24698074 3.92606602 3.12512336 4.56918273 3.07377369 1.177E-9 2.6319999999E-9 5.884E-9 1.316E-8 2.942E-8 6.579E-8 1.471E-7 3.29E-7 7.356E-7 0.000001645 0.0000036779999999 0.000008224 0.00001839 0.000041119999999 0.000091939999999 723-62-6 2201 144210140 A A 9-Anthracenecarboxylic acid O=C(O)c2c3ccccc3cc1ccccc12 Tox21_202942 -NCGC00260239-01 196711819 tox21-ror-cho-viability-p1 set2 2.4 68.729149849 28.5184548 0.9815452 29.5 4.4494702849 0.9360839085 0.0000319897 -0.63576345 -1.05142782 -0.13911028 2.99566561 3.21834012 2.59797986 -0.0149881 0.36015732 2.07123585 2.24319942 -1.265379 -0.7839818 0.01309719 3.69741397 23.55549891 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.61E-8 1.4779999999E-7 3.305E-7 7.3899999999E-7 0.0000016529999999 0.0000036949999999 0.000008263 0.00001848 0.00004131 0.000092379999999 882172-79-4 60196392 144209889 FNS 1-Butyl-4-methylpyridinium trifluoromethanesulfonate Cc1cc[n+](CCCC)cc1.FC(F)(F)S([O-])(=O)=O Tox21_202691 -NCGC00260482-01 196711820 tox21-ror-cho-viability-p1 set2 2.4 69.4274967035 23.886627064 0.113372936 24 1.0999999999 0.7701966289 0.0141340695 1.1230416 -2.69968642 1.12910988 -1.55471944 -2.82218922 2.1114926 1.59764396 -0.41927803 1.1585522 2.63953389 1.40692044 5.22255724 3.30149709 4.52997211 17.79772173 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.331E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 609-15-4 11858 144210134 F I Ethyl 2-chloroacetoacetate O=C(C)C(Cl)C(=O)OCC Tox21_202936 -NCGC00159389-04 196712636 tox21-ror-cho-viability-p1 set2 4 -6.42726912 -4.2228595 -5.95481607 -6.32774727 -5.69084561 -2.76580882 -2.99210355 -3.14823327 -2.02376942 -2.28355939 -5.38769517 -0.32347531 0.2854778 -1.28378692 0.57551753 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104-06-3 9568512 170466436 A Amithiozone O=C(C)Nc1ccc(cc1)\C=N\NC(N)=S Tox21_111625_1 -NCGC00159456-11 196712635 tox21-ror-cho-viability-p1 set2 4 4.68292171 -0.22008101 2.18619908 0.76199633 1.0748787 3.28339477 2.69311584 0.76196238 3.14381144 1.0626393 0.65112845 2.33487146 0.5084865 1.73381615 -0.66124785 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 220127-57-1 123596 170465393 A Imatinib CS(=O)(=O)O.Cc3ccc(cc3Nc1nc(ccn1)c2cccnc2)NC(=O)c4ccc(cc4)CN5CCN(C)CC5 Tox21_111684_1 -NCGC00091351-03 196717986 tox21-ror-cho-viability-p1 set2 4 -2.52815554 -3.91669286 -7.22628899 -3.81888726 -0.33189294 1.67862282 -1.09922681 1.85185339 -3.56768907 -2.24132529 -7.22380009 -7.06598877 -7.11562968 -4.64327743 -4.7370054 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00090962-05 196717963 tox21-ror-cho-viability-p1 set2 4 76.4894813809 -14.455894764 -2 -16.455894764 0.8999999999 0.5903802048 0.1053768049 -3.42297155 -3.23382149 -1.5974851 -3.08961816 -0.45804282 1.74686392 -0.89321474 0.47837779 -3.28921997 -7.10836586 -4.17892836 -1.35119541 -4.23986635 -6.21305642 -12.04657897 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00016879-06 196717967 tox21-ror-cho-viability-p1 set2 4 -1.16918945 -2.76737294 0.89843561 2.79000844 -0.18748462 -5.62357762 -3.81127964 -0.74969437 -1.26717813 -3.03290125 -3.79268713 -2.71013093 -5.64467417 0.43722811 -0.30640383 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56211-40-6 41781 170465279 A Torsemide O=S(=O)(NC(=O)NC(C)C)c2cnccc2Nc1cc(C)ccc1 Tox21_110662_1 -NCGC00256730-01 196718385 tox21-ror-cho-viability-p1 set2 4 0.685896219 9.1351178759 -6.1351178759 3 1.0999999999 0.7127818792 0.0328816952 -2.60578063 -5.04275249 -7.28144207 -7.23887413 -5.38218429 -10.11259823 -4.07063385 -0.09879973 -2.55716136 -0.58350935 -0.49275062 7.24575149 2.95193291 4.22191537 0.20452317 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26576-46-5 117822 144212984 A A 3-Oxo-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)butanamide CC(=O)CC(=O)Nc1ccc2NC(=O)Nc2c1 Tox21_302667 -NCGC00257372-01 196718386 tox21-ror-cho-viability-p1 set2 -1.1 13.6854287769 -100.1444229384 0.4389455819 -99.7054773565 1.8851180601 0.9915082403 3E-10 0.29284735 3.80071236 -1.10385839 3.0288277 1.94838997 0.57731958 -0.06328478 -0.47285468 0.92774055 -6.7699985 -11.22503041 -21.75403884 -62.51241918 -91.80983182 -91.79653019 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81741-28-8 9889168 144213861 A A Tributyltetradecylphosphonium chloride [Cl-].CCCC[P+](CCCC)(CCCC)CCCCCCCCCCCCCC Tox21_303556 -NCGC00256748-01 196718390 tox21-ror-cho-viability-p1 set2 4 5.4482673282 5.8620734999 -2.3620734999 3.5 4.9549173134 0.3839610617 0.2888604623 0.95901798 0.95238733 -3.52071613 -0.21485477 -5.48818189 -9.88506125 -5.31442838 2.19345726 -1.32597561 -0.577924 -3.96041988 5.35124812 2.67274434 2.35657393 2.7082891 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 645-56-7 12580 144212959 A A 4-Propylphenol Oc1ccc(CCC)cc1 Tox21_302642 -NCGC00255394-01 196710525 tox21-ror-cho-viability-p1 set2 4 3.69922689 -0.51210904 -1.00955575 -2.68440061 -0.27338853 -0.03917419 -0.61302674 2.60585675 -1.19065136 -0.54239977 3.28225079 0.10970168 3.32409868 4.12171082 6.50737142 7.7269999999E-10 1.7279999999E-9 3.864E-9 8.639E-9 1.932E-8 4.32E-8 9.659E-8 2.1599999999E-7 4.829E-7 0.00000108 0.0000024149999999 0.0000054 0.00001207 0.000027 0.000060369999999 16470-24-9 6850780 144212253 FC C.I. Fluorescent Brightener 220 [Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)Nc2nc(nc(n2)N(CCO)CCO)Nc6ccc(/C=C/c3ccc(cc3S([O-])(=O)=O)Nc5nc(Nc4ccc(cc4)S([O-])(=O)=O)nc(n5)N(CCO)CCO)c(c6)S([O-])(=O)=O Tox21_301936 -NCGC00255838-01 196710096 tox21-ror-cho-viability-p1 set2 4 43.1011428733 -14.726163124 0 -14.726163124 2.3331733767 0.6388342659 0.0713696904 -8.66636116 3.96274195 -0.49785592 -0.50507107 1.43547291 2.28849174 1.38368934 0.18283205 0.36544989 -0.6557828 -0.40079577 -0.42616516 -1.6005033 -7.0166129 -12.68846927 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 117976-90-6 14720269 144212634 A D Rabeprazole sodium [Na+].Cc3c(OCCCOC)ccnc3CS(=O)c1[n-]c2ccccc2n1 Tox21_302317 -NCGC00256278-01 196710104 tox21-ror-cho-viability-p1 set2 4 0.83285529 -5.49000316 -1.54234482 -1.20753849 -2.32133744 -2.93478088 -2.17361468 -1.18835312 -1.60532287 -2.31325748 -2.36767525 -1.16022167 -2.24548699 -0.14898128 -0.61725785 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2420-87-3 75494 144212012 F A 5,5'-Bi-2-benzofuran-1,1',3,3'-tetrone O=C1OC(=O)c2cc(ccc12)c3ccc4C(=O)OC(=O)c4c3 Tox21_301695 -NCGC00091663-03 196710524 tox21-ror-cho-viability-p1 set2 4 0.34048018 -1.66234121 -1.60241529 -3.14789351 -2.07147058 -1.80633406 -10.25773318 -3.83564539 -0.28180165 0.46263081 -2.31816391 -0.67810017 -0.20796828 -3.82716141 -8.02193734 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00255204-01 196710919 tox21-ror-cho-viability-p1 set2 -2.4 23.7101376556 -28.2029883039 1 -27.2029883039 1.98874246 0.8835887046 0.0006844109 -5.19414499 0.34693164 5.66357518 2.36680651 2.77922488 2.11150064 -0.10593021 -0.16851974 1.77025375 3.20699799 0.20281989 0.24486278 -3.07786178 -11.07687264 -21.41915692 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26264-06-2 24180685 144212705 F Calcium dodecylbenzene sulfonate [Ca+2].O=S([O-])(=O)c1ccc(cc1)C(CC)CCCCCCCCC.CCC(CCCCCCCCC)c1ccc(cc1)S([O-])(=O)=O Tox21_302388 -NCGC00257418-01 196718366 tox21-ror-cho-viability-p1 set2 4 0.1933118196 3.332538832 -0.332538832 3 4.9549173134 0.3093598847 0.3632190126 0.41925218 -1.68142637 -1.46429013 2.03406562 -1.94378236 0.98896766 -0.4201541 4.15378706 4.59380856 0.96145404 8.24365248 -1.78798949 0.38123971 3.24649249 2.78888049 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-31-9 7985 144213775 A Ac Dihexyl nonanedioate O=C(CCCCCCCC(=O)OCCCCCC)OCCCCCC Tox21_303465 -NCGC00016825-06 196717942 tox21-ror-cho-viability-p1 set2 4 2.82376555 1.51493656 -4.01467763 -1.21758728 2.61509019 0.35116367 -5.5751299 -4.59397702 2.0250091 -6.0909957 -0.90213439 -6.62751649 -1.951168 -0.84131888 -0.80161092 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 34161-23-4 161803 170466461 A Fipexide hydrochloride Cl.Clc1ccc(cc1)OCC(=O)N2CCN(CC2)Cc3ccc4OCOc4c3 Tox21_111394_1 -NCGC00257436-01 196718376 tox21-ror-cho-viability-p1 set2 4 3.23686457 3.12738252 0.73558421 3.65928647 0.80885175 1.51065895 1.89428051 7.02183867 2.68798415 5.21450067 6.3877477 2.03090593 0.00448308 3.81275931 1.25380582 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-06-1 31283 144213827 A Fns Ethyl tetradecanoate O=C(CCCCCCCCCCCCC)OCC Tox21_303520 -NCGC00257072-01 196718778 tox21-ror-cho-viability-p1 set2 4 6.1130564862 4.745600416 -1.745600416 3 4.9549173134 0.366499187 0.3068577903 0.32667685 -0.73159987 1.81502533 0.26524087 0.75817396 -0.38188737 -0.05573344 -1.37929215 -6.68146328 -6.87133368 -4.6968394 3.93404962 3.53198979 1.23138636 3.40098551 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 616-45-5 12025 144213576 A A 2-Pyrrolidinone O=C1CCCN1 Tox21_303259 -NCGC00253979-01 196714660 tox21-ror-cho-viability-p1 set2 4 19.3311819617 6.00895698 -5.00895698 1 2.9522712143 0.3328003538 0.3387806518 -2.90779019 -6.54198966 0.23765563 -9.33830646 -4.12434426 -10.00746415 0.27771989 -6.38598123 -8.65295213 -5.40679857 -4.77495152 -3.96361392 -2.26264732 0.28947904 0.82393087 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-62-3 8063 144210381 D Pentanal CCCCC=O Tox21_300061 -NCGC00254299-01 196714640 tox21-ror-cho-viability-p1 set2 4 -7.08299921 -6.34324385 -4.25285383 -5.44512476 -2.80883528 -7.0505164 -4.79482038 -5.74758429 -7.9355995 -5.09147707 -8.26369164 -3.96993031 -2.17820658 0.92806468 -9.13162073 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2783-94-0 5359810 144210725 A A FD&C Yellow 6 [Na+].[Na+].O=S([O-])(=O)c3ccc(/N=N/c1c2ccc(cc2ccc1O)S([O-])(=O)=O)cc3 Tox21_300407 -NCGC00254306-01 196714644 tox21-ror-cho-viability-p1 set2 4 -2.48421478 -2.17306136 -1.65625076 -3.71203229 -4.16151678 -6.44156777 -7.94034802 -5.33550818 -2.80406238 -4.47977859 -1.39394997 -1.22575755 -0.55986183 -2.76980336 -1.02837334 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 544-76-3 11006 144210803 FNS Hexadecane CCCCCCCCCCCCCCCC Tox21_300485 -NCGC00091278-03 196714657 tox21-ror-cho-viability-p1 set2 4 -2.75041267 -2.56529448 -4.60191274 -2.33522362 0.00680797 -5.65670388 -5.21553493 -2.85396737 -5.3756357 -1.80568432 -2.46534855 0.18779705 0 1.88270272 1.43507134 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00254345-01 196715052 tox21-ror-cho-viability-p1 set2 4 0.0385707789 -5.982125856 0 -5.982125856 4.9549173134 0.6905550045 0.0525940925 0.3917052 -0.76999321 0.81243904 -0.52943015 0.43636025 -8.12858263 -5.14557445 -6.91060841 -4.86513589 -9.98510488 -2.58678072 -3.66148686 -7.88000257 -4.864449 -0.62992587 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-43-4 7810 144210664 FNS 4-Chlorotoluene Cc1ccc(Cl)cc1 Tox21_300346 -NCGC00258662-01 196715470 tox21-ror-cho-viability-p1 set2 -3 67.4751061423 -41.452773288 2 -39.452773288 4.9549173134 0.9570427388 0.0000036558 3.05822743 4.71719007 3.49432922 0.56860649 0.64213763 0.42703786 1.37627371 3.07467562 3.03588076 1.4173646 2.17420702 -1.99981573 2.91897311 2.16816781 -32.04397774 1.164E-9 2.602E-9 5.819E-9 1.301E-8 2.909E-8 6.506E-8 1.4549999999E-7 3.253E-7 7.274E-7 0.0000016259999999 0.0000036369999999 0.000008132 0.00001818 0.000040659999999 0.00009092 56-54-2 5953 144208308 A B Quinidine COc1cc2c(cc1)nccc2[C@H](O)[C@H]4CC3CCN4C[C@@H]3C=C Tox21_201110 -NCGC00258411-01 196715477 tox21-ror-cho-viability-p1 set2 4 0.0546489338 -15.980208068 0.5 -15.480208068 4.0949729863 0.9905747686 6E-10 0.48521099 1.50108371 -0.15060934 -0.54423209 -0.83509523 -10.01385258 -15.39519275 -15.45833675 -15.22778676 -16.65017339 -14.24996334 -15.89051643 -14.38542205 -16.11283755 -15.60341521 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.613E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.00001848 0.00004133 0.00009242 630-10-4 6327594 144208055 A Selenourea NC(N)=[Se] Tox21_200857 -NCGC00258383-01 196715482 tox21-ror-cho-viability-p1 set2 4 4.00662382 0.98585051 2.66433729 2.7512611 3.58975539 4.81070581 0.34825914 0.85038882 3.78541866 0.35593054 1.61051382 3.49127568 2.01273667 0.07535715 0.32825831 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.0000016739999999 0.000003742 0.000008368 0.00001871 0.00004184 0.00009355 93-97-0 7167 144208027 FNS Benzoic anhydride O=C(OC(=O)c1ccccc1)c2ccccc2 Tox21_200829 -NCGC00257943-01 196715890 tox21-ror-cho-viability-p1 set2 4 -0.66158921 -4.59777751 -0.72766992 -0.29253817 -0.55864798 0.18823351 0.16517936 2.53439663 -0.47907421 0.65001034 0.12936436 4.27425731 -0.35717701 0.78407247 2.85030451 1.156E-9 2.5839999999E-9 5.778E-9 1.292E-8 2.889E-8 6.46E-8 1.444E-7 3.23E-7 7.2219999999E-7 0.000001615 0.000003611 0.000008075 0.000018059999999 0.000040369999999 0.00009028 106-92-3 7838 144207587 A A Allyl glycidyl ether C=CCOCC1CO1 Tox21_200389 -NCGC00166113-04 196698262 tox21-ror-cho-viability-p1 set1 -3 11.8832183006 -69.8468200199 1.6975565064 -68.1492635135 3.5117481694 0.9335247828 0.0000841468 3.42079545 0.51077864 -1.61057054 1.17770455 2.68698831 2.26711922 5.06005371 0.7472787 0.08226676 1.06304332 -1.17659266 -4.6561905 -7.4874673 -70.98881616 -42.39418044 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 886-38-4 65057 170465593 A Diphenylcyclopropenone O=C2C(=C2c1ccccc1)c3ccccc3 Tox21_112322_1 -NCGC00016272-05 196698271 tox21-ror-cho-viability-p1 set1 4 -1.97076362 -0.48606825 -0.233363 2.25669991 -2.67197186 -2.59614912 0.06274716 -1.83075259 -1.50325581 -1.78072844 -1.87553968 -0.06457939 -0.97212953 0.71501512 6.84572112 5.899E-12 1.319E-11 2.949E-11 6.595E-11 1.475E-10 3.2969999999E-10 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 60-02-6 60196261 170464954 Z Guanethidine sulfate O=S(=O)(O)O.O=S(=O)(O)O.N=C(N)NCCN1CCCCCCC1 Tox21_110340_1 -NCGC00159486-06 196697857 tox21-ror-cho-viability-p1 set1 4 1.79291114 2.22575379 0.66691827 2.55869278 1.14782718 1.42650328 1.84688102 0.29895447 0.79347126 0.34618138 -0.07174481 6.05143343 1.42638263 4.47718318 1.85920409 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 495-69-2 464 170464791 A Hippuric acid O=C(NCC(=O)O)c1ccccc1 Tox21_111710_1 -NCGC00166238-02 196698254 tox21-ror-cho-viability-p1 set1 4 1.8077732 -0.14316601 -4.2851124 0.58203881 -1.80018088 -2.76820133 1.97042107 -0.12368429 3.03261066 3.45111259 -3.27919216 0.3272648 1.84222108 -1.38147807 4.95796937 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 22994-85-0 31593 170466539 A Benznidazole O=C(Cn1ccnc1[N+]([O-])=O)NCc2ccccc2 Tox21_112364_1 -NCGC00091261-03 196698278 tox21-ror-cho-viability-p1 set1 4 43.2771256911 -16.182225544 2.5 -13.682225544 2.4063783767 0.7432715147 0.0217501717 -0.66251637 3.05126484 6.65453136 5.62871026 5.28497233 0.35468837 3.33732641 -0.06963625 0.66353397 0.8000016 1.7234109 5.45773575 -0.50764791 -4.68799887 -11.40185462 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00254001-01 196698685 tox21-ror-cho-viability-p1 set1 4 0.10398001 4.45813408 -1.40948636 0.5965158 -0.24712029 -1.78868189 -0.72813305 1.69508475 -0.32229893 -10.92321145 0.59045086 1.32199903 -0.09219277 1.38094392 -1.46576907 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1120-21-4 14257 144210396 FNS Undecane CCCCCCCCCCC Tox21_300076 -NCGC00254850-01 196699088 tox21-ror-cho-viability-p1 set1 4 76.9588215421 15.2413760399 -1.2413760399 14 4.9549173134 0.8607093182 0.0016468228 -2.48277227 0.87672963 -2.45072866 -0.39109281 -0.22688644 0.74290926 -0.53610445 -1.68650133 -1.56334811 0.07713447 -2.7011467 -1.4934861 -1.72144236 -1.68645237 10.61929871 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-92-5 62341 144211265 A A (+/-)-alpha-Methylbenzyl acetate CC(=O)OC(C)c1ccccc1 Tox21_300948 -NCGC00255005-01 196699109 tox21-ror-cho-viability-p1 set1 4 76.9588215421 10.5889074 0.4110926 11 4.0449729863 0.5124607402 0.171102494 -0.04536379 3.49844618 2.52514948 0.22626495 -1.67440018 -0.17419259 1.67630569 1.29520358 -2.5740895 0.19056072 -2.52839417 0.35344895 3.46898909 1.01990154 7.7860656 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3397-62-4 18831 144211422 A A 2-Chloro-4,6-diamino-1,3,5-triazine Nc1nc(N)nc(Cl)n1 Tox21_301105 -NCGC00254692-01 196699503 tox21-ror-cho-viability-p1 set1 -2.4 30.6067041936 -31.24095596 2 -29.24095596 4.9549173134 0.9350696699 0.0000345504 3.89052086 4.40657027 -1.41128244 3.52830533 2.63780381 -1.97030253 -0.91143592 -0.9732181 4.98812615 -0.42706104 4.50806358 3.33895497 4.0655742 -25.06920471 -29.3674633 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 120116-88-3 9862076 144211105 F F Cyazofamid N#Cc2nc(Cl)c(c1ccc(C)cc1)n2S(=O)(=O)N(C)C Tox21_300788 -NCGC00253955-01 196699509 tox21-ror-cho-viability-p1 set1 4 -0.85553555 -0.4764026 1.48990782 -1.62899011 0.98919618 -6.44429837 1.92797921 1.35790811 3.22733625 0.18260664 0.86730371 1.3706231 0.49725965 1.16996438 5.65178319 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 838-88-0 13283 144210521 A A 4,4'-Methylenebis(2-methylaniline) Cc2cc(Cc1ccc(N)c(C)c1)ccc2N Tox21_300201 -NCGC00254900-01 196699514 tox21-ror-cho-viability-p1 set1 4 61.130564862 -20.1447496479 -1 -21.1447496479 1.9673362061 0.5623563132 0.125906595 -0.77255492 3.51965378 -0.44587198 0.84350886 2.7434378 0.72148061 -3.88712575 0.35805617 -9.19257084 -4.9631227 1.50332524 -0.18351381 -6.26261897 -4.44680386 -15.95395804 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 298-00-0 4130 144211315 C Methyl parathion S=P(Oc1ccc(cc1)[N+]([O-])=O)(OC)OC Tox21_300998 -NCGC00254798-01 196699526 tox21-ror-cho-viability-p1 set1 4 76.9588215421 11.865347812 0.134652188 12 4.9549173134 0.6916698549 0.0430784878 -1.14220951 -0.17497594 0.77714877 -1.22445354 -0.38636123 0.77207459 -0.19250674 0.6009358 -0.59284819 -1.55445651 -0.15577042 -0.831868 4.97951409 -0.43125347 9.11744201 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-40-5 5338 144211211 A A Sulfaquinoxaline Nc1ccc(cc1)S(=O)(=O)Nc2cnc3ccccc3n2 Tox21_300894 -NCGC00254449-01 196699919 tox21-ror-cho-viability-p1 set1 4 -1.51485082 -0.76517086 -0.58709663 0.05459117 -3.93750271 0.8309482 -0.79580052 -0.8468475 -0.81401229 0.95883915 -2.41918191 0.32740053 5.53624953 5.48849834 0.67148777 9.0839999999E-10 2.0309999999E-9 4.5419999999E-9 1.016E-8 2.271E-8 5.0779999999E-8 1.135E-7 2.539E-7 5.677E-7 0.00000127 0.000002839 0.0000063479999999 0.00001419 0.00003174 0.000070969999999 50892-23-4 5694 144210951 A A Pirinixic acid Cc2cccc(Nc1cc(Cl)nc(SCC(=O)O)n1)c2C Tox21_300634 -NCGC00254879-01 196713883 tox21-ror-cho-viability-p1 set2 4 -2.28662189 -1.09290621 -2.52605377 -3.30229512 1.84257402 -6.03991473 -7.28384177 -5.92145472 -0.68836746 -5.512991 -5.86335782 -6.4306106 -3.05468564 -1.81213547 -4.09282335 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18479-57-7 86751 144211294 A A 2,6-Dimethyloctan-2-ol CC(C)(O)CCCC(C)CC Tox21_300977 -NCGC00254451-01 196713886 tox21-ror-cho-viability-p1 set2 4 0.62260946 0.48972528 0.96956776 1.77942627 1.42681327 0.33848319 3.23902852 1.78461308 3.43754866 3.97450923 -0.72259393 4.53215794 7.25814328 1.92669723 6.74712541 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 41372-08-1 38852 144210800 A A Methyldopa sesquihydrate O.O.O.Oc1ccc(C[C@](C)(N)C(=O)O)cc1O.O=C(O)[C@@](C)(N)Cc1cc(O)c(O)cc1 Tox21_300482 -NCGC00014711-14 196713480 tox21-ror-cho-viability-p1 set2 4 -2.10377232 -0.70177025 -1.71704614 -3.65287133 -1.16199977 -3.62043586 -0.63893131 0.40124346 -0.33120953 -0.36436978 0.97769625 -1.90343734 1.80895554 0.19672637 1.12490911 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21256-18-8 4614 170464987 A Oxaprozin OC(=O)CCc1nc(c(o1)c2ccccc2)c3ccccc3 Tox21_110059_1 -NCGC00254212-01 196713881 tox21-ror-cho-viability-p1 set2 4 -2.39869901 2.02841505 -2.92325799 1.32898639 0.20662582 0.49088189 -1.53060503 -0.98448331 1.14779524 -1.52115106 0.443394 1.77377226 -0.80916265 1.38550834 -0.98325074 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 826-62-0 13223 144210593 A A 2-Norbornene-5,6-dicarboxylic anhydride O=C1OC(=O)C3C1C2CC3C=C2 Tox21_300273 -NCGC00254529-01 196713892 tox21-ror-cho-viability-p1 set2 4 1.99454075 -0.18871725 -2.08643519 -0.58291536 0.08708669 1.62822345 -4.97125164 0.79759145 1.34203602 1.04384906 -4.84349593 -2.19823616 -1.73292858 0.9094704 -2.64443225 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-51-8 7705 144210829 FNS Butylbenzene CCCCc1ccccc1 Tox21_300511 -NCGC00254847-01 196713899 tox21-ror-cho-viability-p1 set2 -1.1 27.0562917993 -77.7876604286 -1.956912784 -79.7445732126 4.9549173134 0.9938808669 0 -3.83196154 -2.61604084 -2.43504832 1.38817371 0.93116104 -1.39874865 0.43059275 -5.44331225 -3.62796692 -0.34458023 -0.31278317 -3.46850836 -12.93448846 -72.30689242 -78.18095413 1.171E-9 2.618E-9 5.854E-9 1.3089999999E-8 2.927E-8 6.545E-8 1.464E-7 3.2729999999E-7 7.3179999999E-7 0.0000016359999999 0.0000036589999999 0.000008182 0.00001829 0.000040909999999 0.000091469999999 NOCAS_34742 9959038 144211262 C C Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3) O[C@@H]3C(C)=C[C@H]5C(=O)O[C@H]1C[C@H](O[C@]2(C1)CC[C@H](C)[C@@H](CC)O2)CC=C(C)C[C@@H](C)C=CC=C4CO[C@H]3[C@@]45O Tox21_300945 -NCGC00254860-01 196713905 tox21-ror-cho-viability-p1 set2 4 68.5896218971 18.37866328 -5.37866328 13 4.9549173134 0.6117121166 0.0890993574 -2.8147092 -2.21350578 -1.49418014 -7.31192399 -8.14301889 -10.7322194 -10.01390095 -5.46281925 -6.57729242 -1.30908244 -3.92721472 -3.20967224 -2.57102355 -6.08806597 9.81485016 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81777-89-1 54778 144211275 A A Clomazone Clc2ccccc2CN1OCC(C)(C)C1=O Tox21_300958 -NCGC00254865-01 196713906 tox21-ror-cho-viability-p1 set2 4 -1.68167173 -3.49753141 -0.02548126 -3.76164673 2.20755019 -3.05013266 -1.28471051 -4.64398102 -8.01323466 -0.48585244 -2.18391904 -4.56053168 -0.38889415 -0.53581671 -5.75867771 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-85-4 7461 144211280 FC gamma-Terpinene CC1=CCC(=CC1)C(C)C Tox21_300963 -NCGC00254070-01 196714313 tox21-ror-cho-viability-p1 set2 -2.2 34.3762428541 -54.6188415416 0.3714422804 -54.2473992612 1.826479391 0.9345802488 0.0000358966 0.99134292 1.70345925 1.53247817 -0.86737645 0.58047661 1.4658821 0.42402434 1.16544763 2.342081 0.02636572 0.00601674 -16.03832935 -7.72206768 -31.67716545 -50.22907339 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 288104-79-0 9849616 144210559 A A Surinabant O=C(NN1CCCCC1)c4nn(c2ccc(Cl)cc2Cl)c(c3ccc(Br)cc3)c4CC Tox21_300239 -NCGC00253961-01 196714314 tox21-ror-cho-viability-p1 set2 -2.2 61.130564862 -50.0619043852 -4.885979298 -54.9478836832 3.1319983358 0.9287184997 0.0000566275 -5.31923385 -4.27820484 -0.45014323 -6.49234833 -10.13743233 -4.18505095 -4.5858094 -9.32344588 -6.22273037 -7.60636686 -2.32590005 -0.41646302 -3.62773801 -15.37613732 -44.27869976 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 599-64-4 11742 144210376 A A 4-Cumylphenol CC(C)(c1ccc(O)cc1)c2ccccc2 Tox21_300056 -NCGC00254117-01 196714726 tox21-ror-cho-viability-p1 set2 4 2.79050533 -0.89532084 0.26989199 1.41174882 0.10057952 2.21301042 -0.13832994 0.90343457 0.50847092 1.10858183 0.46919774 1.50593651 3.24903356 1.76875552 1.07787893 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1120-71-4 14264 144210386 B F 1,3-Propane sultone O=S1(=O)CCCO1 Tox21_300066 -NCGC00254593-01 196715129 tox21-ror-cho-viability-p1 set2 4 -1.55799202 -5.39498334 -8.56725667 -4.95345974 0.6974016 -4.67026269 -8.08307246 -9.51172304 -2.28795946 -8.40488974 -8.81996597 -1.50543683 -7.27136203 0.16848203 -3.40754192 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112410-23-8 91773 144211002 A A Tebufenozide CCc1ccc(cc1)C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C Tox21_300685 -NCGC00357139-01 196712186 tox21-ror-cho-viability-p1 set2 4 48.5577336745 16.742613424 -0.742613424 16 0.2 0.5272635453 0.156502016 -0.61884452 0.80758878 1.29288491 2.04281873 4.42687063 3.40429172 3.98856487 4.58861942 3.4809368 6.25208865 5.93832529 1.09482535 2.94199871 12.02185592 9.56067481 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 496-11-7 10326 251919906 Ac Indan c1cccc2CCCc12 Tox21_303879 -NCGC00259778-01 196711771 tox21-ror-cho-viability-p1 set2 -3 27.5283213152 -45.1724496219 -4.973228009 -50.1456776309 4.9549173134 0.7958530418 0.2952960972 -0.45925815 -0.90666113 -0.96406846 -3.8075354 -20.98747068 -0.05180464 -6.76726747 -46.06021476 -0.55264265 -1.33687929 -9.99034509 -9.35370567 -6.29362666 -49.16242905 21.31766703 1.188E-9 2.657E-9 5.941E-9 1.3279999999E-8 2.971E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016609999999 0.000003713 0.000008303 0.00001857 0.000041509999999 0.000092829999999 10108-64-2 24633 144209427 Cadmium chloride [Cd+2].[Cl-].[Cl-] Tox21_202229 -NCGC00357084-01 196712172 tox21-ror-cho-viability-p1 set2 4 -2.19980482 -1.84744727 -5.57728269 -5.27681005 -3.49925459 -2.98426257 -12.34779658 -7.25722976 -5.16375796 -24.87131897 -11.79834507 -2.87202808 -5.28664643 -21.57540937 7.63847904 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 693-54-9 12741 251919662 Ac 2-Decanone CC(=O)CCCCCCCC Tox21_303799 -NCGC00260602-01 196712185 tox21-ror-cho-viability-p1 set2 4 2.3710137656 -12.5580068439 -1.5 -14.0580068439 4.9549173134 0.4064072696 0.2653589534 -0.68583161 -1.16039575 -1.20581472 -3.0875323 -0.43596767 -0.04189438 -0.42500218 -5.45609183 -7.20794739 0.20253714 -0.33187497 -29.63167237 -9.40138463 0.57941375 -18.02455431 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49498 144210255 M M NTP Mix5 AR1 8-EQC Tox21_203057 -NCGC00016623-05 196712598 tox21-ror-cho-viability-p1 set2 4 33.4914596268 11.8167341999 -0.8167341999 11 4.9549173134 0.797834767 0.0086146204 2.20766482 -1.41663569 -1.25522881 0.314137 -1.98033045 0.71218726 -0.0843396 -2.08409808 -0.486045 -1.49337382 -2.3472785 -0.81746542 0.68029135 -0.10777311 9.01707141 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3160-91-6 76621 170466154 Z Moroxidine hydrochloride Cl.N=C(N)NC(=N)N1CCOCC1 Tox21_110532_1 -NCGC00094381-06 196712998 tox21-ror-cho-viability-p1 set2 4 37.5780357627 -11.127198272 1 -10.127198272 4.9549173134 0.7548913852 0.0187510695 3.24932532 3.75532334 0.37944592 2.03129684 -0.34719179 -0.35745817 2.10931977 0.78063104 0.18106454 0.96894085 -0.1441526 0.2914765 0.47424885 1.3338547 -7.60599856 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 204005-46-9 123015 170466396 A Semaxanib Cc3cc(C)nc3C=C1c2ccccc2NC1=O Tox21_111271_1 -NCGC00166020-03 196713016 tox21-ror-cho-viability-p1 set2 4 74.9780386279 9.8091653239 -0.8091653239 9 0.4 0.4691499709 0.2129604218 -2.15452305 -0.02017781 -4.00763777 0.22576383 0.56192414 0.72974443 1.63586081 0.24412654 0.30546037 0.87238228 1.37951168 0.17640372 1.08212259 0.85109553 6.5837043 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 886-86-2 261501 170465717 A Ethyl 3-aminobenzoate methanesulfonic acid salt Nc1cc(ccc1)C(=O)OCC.CS(=O)(=O)O Tox21_112290_1 -NCGC00344562-01 196713431 tox21-ror-cho-viability-p1 set2 4 1.5846457 -0.93396128 1.15619608 2.2635482 0.492521 0.60058223 -0.86738431 -1.44614016 0.45395871 0.08218199 1.33609285 1.73137377 1.18451062 0.84629966 2.74835456 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57470-78-7 42373 170465958 A Celiprolol hydrochloride Cl.CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(c1)C(C)=O Tox21_112722_1 -NCGC00179460-03 196713434 tox21-ror-cho-viability-p1 set2 4 3.04064763 0.42142257 -1.5858009 3.70629918 -1.27830558 0.05112529 -0.56052913 1.40448022 -0.4256111 4.13757994 1.0729227 -0.45194441 0.53265139 0.94625917 -2.6221367 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2668-66-8 247839 170465194 A Medrysone CC(=O)[C@H]4CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3[C@@H](C)C[C@H]12 Tox21_110526_1 -NCGC00183000-01 196713835 tox21-ror-cho-viability-p1 set2 4 26.6032120037 10.3418083079 -2.3418083079 8 0.7999999999 0.387662104 0.28702678 -0.88025737 -4.43600273 -0.41945471 -6.11817359 -4.77381189 1.67486024 -4.15015864 0.78099095 1.37316501 -4.51543209 -1.68354676 1.10501027 -0.22960608 0.94528397 5.09021986 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 116287-13-9 198707 144206892 A A Lanperisone hydrochloride C[C@H](CN1CCCC1)C(=O)c2ccc(cc2)C(F)(F)F Tox21_113341 -NCGC00249904-01 196712627 tox21-ror-cho-viability-p1 set2 4 3.93547173 3.06246788 1.3944593 0.65271634 1.21673427 -0.65181398 -0.43579491 0.84884085 2.70890617 -0.29258403 1.04284693 1.39429217 1.77267563 0.40818205 4.61294144 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54400-59-8 166572 170466389 A A Butamisole CC(C)C(=O)Nc1cccc(c1)C2N=C3SCCN3C2 Tox21_113680 -NCGC00260192-01 196712209 tox21-ror-cho-viability-p1 set2 -2.4 7.7193670821 -26.656221068 -4 -30.656221068 0.5 0.4405109974 0.2497520767 -3.95151408 -3.81946337 -7.23203968 -6.76563592 -5.15571888 -4.25795226 0 -18.40227198 0 -24.33581397 -7.66148605 -13.25872986 -31.79685089 -16.77070476 -14.3161749 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3079999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.000008269 0.000018489999999 0.00004135 0.00009245 143314-16-3 2769348 144209842 A A 1-Ethyl-3-methylimidazolium tetrafluoroborate F[B-](F)(F)F.C[n+]1ccn(CC)c1 Tox21_202644 -NCGC00263839-02 196716716 tox21-ror-cho-viability-p1 set2 4 0.69817166 0.55615128 0.03069666 -0.76706 -1.66463527 0 6.88953072 6.52739684 -0.79347188 0.63916895 -0.26218215 -1.30461894 -0.61646751 -0.45024094 -1.13720386 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55870-64-9 60196308 170465779 F Pentisomicin N[C@@H]3CC=C(CN)O[C@@H]3O[C@H]2[C@@H](O)[C@@H](O[C@H]1OC[C@@](C)(O)[C@H](NC)[C@H]1O)[C@H](N)C[C@@H]2N Tox21_112770_1 -NCGC00090987-03 196716311 tox21-ror-cho-viability-p1 set2 4 -1.12528111 -0.93973244 -8.86135335 0.1509362 -0.91001755 -1.05491917 -3.09109279 -0.37923984 -0.66600365 0.57428899 0.42020978 -11.95340817 -1.65884707 -2.30405637 -1.03387332 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00247697-01 196716715 tox21-ror-cho-viability-p1 set2 4 2.28659934 -10.37786752 -4.45815791 -6.02778987 0.20231021 -4.35519001 0.64534059 0.4924067 -2.15223075 1.69417822 -5.80968856 -1.8678604 -4.19484806 -5.03633126 -1.70191902 1.304E-9 2.915E-9 6.518E-9 1.4569999999E-8 3.259E-8 7.287E-8 1.6289999999E-7 3.644E-7 8.1469999999E-7 0.0000018219999999 0.0000040739999999 0.000009109 0.00002037 0.000045549999999 0.0001018 79278-88-9 60196324 144206400 A A N-Phenyl-N-[1-[2-(2-thienyl)ethyl]-4-piperidyl]propanamide hydrochloride (1:1) Cl.CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3cccs3 Tox21_112847 -NCGC00015238-13 196716722 tox21-ror-cho-viability-p1 set2 4 -9.03038861 -15.99022162 -13.27764539 -9.1756155 -7.85944668 -7.84587483 -7.21374852 -3.34242654 0.1186277 -5.43276878 -3.3807796 -2.02754446 -10.9792679 -9.58322674 -27.128725 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 95-25-0 2733 170464957 A Chlorzoxazone Clc1cc2NC(=O)Oc2cc1 Tox21_110105_1 -NCGC00091426-02 196716727 tox21-ror-cho-viability-p1 set2 4 -0.31856107 -1.07338876 -1.07698628 -7.42110286 1.07135112 1.93200597 -0.91841321 1.23922437 -3.83057252 -3.2970317 -1.48294948 -3.31793677 -3.99536334 -6.01169588 -6.17040437 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00247721-01 196716728 tox21-ror-cho-viability-p1 set2 4 -13.57043352 -7.28868708 -4.24224633 -7.21809687 -0.12386275 -4.81589938 -1.52039696 -5.54649373 -6.17670869 -13.34660029 -8.70916638 -4.246312 -2.309193 -0.50902049 -3.18278715 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 509-60-4 5359421 144206439 A A Dihydromorphine Oc1ccc2C[C@H]4N(C)CC[C@@]35[C@@H](Oc1c23)[C@@H](O)CC[C@@H]45 Tox21_112886 -NCGC00253627-01 196716729 tox21-ror-cho-viability-p1 set2 4 1.87114079 2.25197132 0.06718011 -2.98062769 -0.94967842 -0.03695409 0.59186795 2.76259776 2.4378174 -1.23226865 1.26250429 0.96039513 -0.71679049 2.21997749 1.70979218 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 153168-05-9 1684 170466405 A A Pleconaril Cc1cc(on1)CCCOc2c(C)cc(cc2C)c3nc(on3)C(F)(F)F Tox21_113756 -NCGC00244580-01 196716737 tox21-ror-cho-viability-p1 set2 -2.4 43.2771256911 -28.852079868 2 -26.852079868 2.3331733767 0.8909594646 0.0004965733 -0.34553547 -0.07994817 0.2345445 0.78409319 4.15015124 3.20411489 6.21407124 8.33635664 0.80448457 1.69680269 -0.32510054 0.52219438 -0.70933393 -11.69307297 -22.79339989 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00164576-04 196717146 tox21-ror-cho-viability-p1 set2 4 -9.97685181 0.01687772 -8.78630055 -3.48602679 -1.35642795 3.30003864 -3.53349436 -2.41332019 -5.45897577 0.47971531 0.63180275 -2.97707831 -0.3910984 -4.36346528 -9.07145368 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 192725-17-0 92727 170464773 A Lopinavir CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)COc3c(C)cccc3C)N4CCCNC4=O Tox21_112204_1 -NCGC00164573-02 196717149 tox21-ror-cho-viability-p1 set2 4 -12.35068462 -7.64018246 -13.21688462 -11.7610435 -1.22346648 -10.10995879 -7.41031872 -7.3941056 -9.99254576 -6.12640683 -0.97640643 -11.36035909 -9.022426 -0.4038338 -9.01321365 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17617-23-1 3393 170465018 A Flurazepam Fc3ccccc3C2=NCC(=O)N(CCN(CC)CC)c1ccc(Cl)cc12 Tox21_112201_1 -NCGC00258299-01 196730468 tox21-ror-cho-viability-p1 set3 4 0.49816754 0.92805835 0.63003234 -8.50898039 0.98858027 1.44658425 -0.64825357 -1.07007547 0.57352305 -0.10258798 2.44084324 -0.76323796 0.01411396 -1.33946412 0.06677508 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.9479999999E-8 6.591E-8 1.474E-7 3.296E-7 7.369E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 28553-12-0 590836 144207943 A Z Diisononyl phthalate CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C Tox21_200745 -NCGC00255173-01 196700334 tox21-ror-cho-viability-p1 set1 -2.4 48.5577336745 -27.987695496 -4 -31.987695496 0.9999999999 0.7397468366 0.0227419998 -4.18420304 -6.5282022 -7.39256016 -6.41889074 0.90302406 -2.18266904 -4.90823951 -3.53268636 -6.68048936 -1.94152448 -9.24494219 -5.80282491 -5.21614502 -23.32307958 -22.04108737 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 470-90-6 10107 144211890 A A Chlorfenvinphos Clc1cc(Cl)ccc1C(OP(=O)(OCC)OCC)=CCl Tox21_301573 -NCGC00257548-01 196700337 tox21-ror-cho-viability-p1 set1 4 2.4336516212 -14.29636506 1 -13.29636506 1.8851180601 0.7561352611 0.0177260874 -1.81819813 6.273501 0.92517163 -0.17278186 6.0666319 -0.00316001 -1.87375784 -1.61390512 -2.12044733 -1.97912254 -6.94577916 -18.16363755 -16.76277635 -6.94935706 -12.26242805 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18851-33-7 2723715 144211603 A A 1,10-Phenanthroline hydrochloride hydrate Cl.O.c1ccnc3c1ccc2cccnc23 Tox21_301286 -NCGC00255606-01 196700356 tox21-ror-cho-viability-p1 set1 4 0.8634921799 3.53938832 -0.53938832 3 4.9549173134 0.3597657102 0.3153580558 -1.50291874 1.75744326 -1.07877919 2.5349677 0.40285466 -5.0328236 2.31438908 -2.288596 0.26202034 3.79743329 2.86941637 -0.05068596 3.47875951 5.7276736 1.77775294 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4638-03-3 95402 144212555 B A 1-Allyloxy-3-chloro-2-propanol ClCC(O)COCC=C Tox21_302238 -NCGC00163843-03 196700358 tox21-ror-cho-viability-p1 set1 4 1.10403414 0.09028054 0.82208522 0.53635326 -0.74513478 -0.88868849 2.15959217 7.29454529 -1.03391662 2.24478598 3.44773228 -0.06335129 0.03967237 6.3309623 0.34552137 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00255950-01 196700359 tox21-ror-cho-viability-p1 set1 4 1.15083415 0.6219497 -0.25655158 1.13064611 2.71692584 2.02088702 0.38484226 -0.36645125 -0.00518138 5.5019009 1.82740618 -1.34554695 1.37922601 2.6015146 5.98831822 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15826-37-6 27503 144212320 A Z Cromolyn sodium [Na+].[Na+].[O-]C(=O)C=4Oc3cccc(OCC(O)COc1cccc2OC(=CC(=O)c12)C([O-])=O)c3C(=O)C=4 Tox21_302003 -NCGC00255463-01 196700750 tox21-ror-cho-viability-p1 set1 4 -2.664526 -6.64425681 -2.33598607 -0.16854017 -4.91717384 -5.27287945 -7.37168513 -5.9537713 -3.5149253 -1.61609616 -22.86761799 -9.92994331 -4.2810921 -8.51301297 -6.52363709 3.657E-10 8.178E-10 1.8289999999E-9 4.0889999999E-9 9.143E-9 2.044E-8 4.571E-8 1.0219999999E-7 2.286E-7 5.111E-7 0.000001143 0.0000025559999999 0.000005714 0.00001278 0.00002857 15707-24-1 27458 144212137 A F 2,3-Diethylpyrazine CCc1nccnc1CC Tox21_301820 -NCGC00255516-01 196700755 tox21-ror-cho-viability-p1 set1 4 1.08635906 2.5044782 0.7925367 -2.4003983 0.72010087 13.63347266 -2.40477408 0.98486301 -0.799794 -0.15649535 0.75317691 -0.19152549 -3.03961687 1.82347182 2.00307736 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 42482-06-4 534543 144211838 A A 2-Octen-1-ylsuccinic anhydride O=C1OC(=O)CC1CC=CCCCCC Tox21_301521 -NCGC00255203-01 196700763 tox21-ror-cho-viability-p1 set1 4 -2.98169752 1.43759241 -4.57652749 -5.42029312 -1.81742588 1.65683403 -6.68080432 -0.2075582 -11.10917112 -1.3339575 -15.28078313 1.47461353 0.59626344 -1.27712432 -3.39703786 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3052-50-4 5354456 144211807 A Fc 2-Butenedioic acid (2Z)-, monomethyl ester O=C(O)/C=C\C(=O)OC Tox21_301490 -NCGC00160515-02 196723199 tox21-ror-cho-viability-p1 set3 4 2.72861964 -0.6143678 -8.0618819 -7.79811563 1.39172066 -14.06048687 -2.07430854 -19.38991685 1.56575397 -1.38611174 -0.3697568 -0.6107931 -4.28347112 -4.77983102 7.59503673 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56180-94-0 444254 170464784 Z Acarbose OCC4=C[C@H](N[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]1C)O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]4O Tox21_111597_1 -NCGC00017354-07 196723187 tox21-ror-cho-viability-p1 set3 4 0.1059092946 -14.690934816 13 -1.690934816 1.21 0.5331422345 0.1654413918 16.3743033 12.2315246 8.73390008 4.27364009 27.41099599 1.75813095 7.99423668 4.24907109 -0.13767996 2.69705386 -2.72335834 -7.24244568 1.4716688 -0.87762744 18.55158172 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21736-83-4 64740 170465149 Z Spectinomycin dihydrochloride Cl.Cl.C[C@H]1O[C@H]2O[C@@H]3[C@@H](O)[C@H](NC)[C@H](O)[C@H](NC)[C@H]3O[C@@]2(O)C(=O)C1 Tox21_110592_1 -NCGC00182082-03 196723189 tox21-ror-cho-viability-p1 set3 2.4 29.8492948118 28.1126065199 -0.1126065199 28 1.331 0.7445712175 0.0212140297 3.4577625 -0.29218985 -2.1968484 -0.68817036 -2.42406303 -0.99991537 -0.88581243 -1.85122531 -5.9271721 4.92161088 4.39346841 5.19623658 4.02690744 6.32813131 20.410153 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 251565-85-2 57823090 170466025 A Tesaglitazar O=S(C)(=O)Oc1ccc(cc1)CCOc2ccc(C[C@@H](OCC)C(=O)O)cc2 Tox21_113248_1 -NCGC00263909-02 196723197 tox21-ror-cho-viability-p1 set3 4 11.8832183006 -29.985717856 10.5 -19.485717856 0.4 0.3794666996 0.2909901598 13.87604096 -7.05498905 16.95197124 15.97658454 11.52939092 6.75197846 8.53879912 9.58826325 -6.76093872 7.83363038 -11.91543458 10.59616076 2.79636105 -9.60467212 -12.90476488 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 171596-29-5 110635 170464819 A Tadalafil O=C6N(C)CC(=O)N4[C@@H]6Cc1c5ccccc5nc1[C@H]4c2ccc3OCOc3c2 Tox21_112642_1 -NCGC00258732-01 196715984 tox21-ror-cho-viability-p1 set2 -1.2 19.2918709672 -37.2465001545 2.9788747059 -34.2676254486 4.0949729863 0.9778299502 8.62E-8 0.63444708 4.768303 0.86397309 6.41581689 4.60846105 4.81928699 1.27482259 3.22190915 2.90886941 1.94880291 0.25400556 -0.56173145 -12.12739872 -34.00668899 -33.55113566 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.3169999999E-8 2.944E-8 6.583E-8 1.472E-7 3.291E-7 7.3599999999E-7 0.0000016459999999 0.00000368 0.0000082289999999 0.000018399999999 0.000041139999999 0.000092 152-11-4 62969 144208378 A A Verapamil hydrochloride Cl.COc1cc(ccc1OC)C(C#N)(CCCN(C)CCc2ccc(OC)c(OC)c2)C(C)C Tox21_201180 -NCGC00257621-01 196715968 tox21-ror-cho-viability-p1 set2 4 1.81096235 -0.0056099 -4.16637858 0.75342606 3.09634761 -2.2440326 1.42260516 0.34003816 -1.96974624 -0.40886348 0.01673471 -0.01355066 -5.98274655 -4.0213099 -2.7911012 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.593E-8 1.474E-7 3.297E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009214 78-79-5 6557 144207265 FNS Isoprene C=C(C)C=C Tox21_200067 -NCGC00258044-01 196715974 tox21-ror-cho-viability-p1 set2 4 66.9189936076 -24.416798312 1.5 -22.916798312 4.0449729863 0.8950846265 0.0004135406 -1.09625221 2.95996914 3.85903766 0.74845453 2.36782396 0.03865534 1.20529089 3.46401462 1.72473698 0.60735789 2.73811044 -0.23160986 -1.93296092 -1.00972319 -17.43066526 1.156E-9 2.5839999999E-9 5.779E-9 1.292E-8 2.889E-8 6.461E-8 1.4449999999E-7 3.23E-7 7.224E-7 0.000001615 0.000003612 0.000008076 0.000018059999999 0.00004038 0.00009029 96-48-0 7302 144207688 A B 4-Butyrolactone O=C1CCCO1 Tox21_200490 -NCGC00257958-01 196715981 tox21-ror-cho-viability-p1 set2 4 12.1227658336 7.8708847359 -0.3708847359 7.5 1.0999999999 0.6120568437 0.0898675541 0.85283386 0.39081065 -0.27665059 0.78079182 1.13343713 -6.97573728 1.11726521 -0.92548014 -0.38897416 -0.91527582 2.66772731 3.42903369 3.26402052 5.79943434 7.05212503 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.00009175 78-86-4 6563 144207602 FC 2-Chlorobutane CC(Cl)CC Tox21_200404 -NCGC00257828-01 196716377 tox21-ror-cho-viability-p1 set2 4 1.91539187 2.92961675 -1.42560825 0.6660925 1.21852676 0 3.6913872 5.05127595 4.03996674 5.76109997 6.95578357 0 5.48529505 6.5320208 5.09694661 1.1509999999E-9 2.5739999999E-9 5.7559999999E-9 1.2869999999E-8 2.878E-8 6.436E-8 1.4389999999E-7 3.218E-7 7.195E-7 0.000001609 0.0000035979999999 0.000008044 0.00001799 0.00004022 0.00008994 105-57-7 7765 144207472 FNS Acetal CC(OCC)OCC Tox21_200274 -NCGC00163815-04 196716383 tox21-ror-cho-viability-p1 set2 -2.2 58.1036241395 -63.1287889594 -2.048972177 -65.1777611364 2.0478617061 0.9763896236 1.238E-7 -1.61560597 -2.10631389 -5.28678829 -1.45205617 -1.3502441 -0.33847176 -5.11156927 -5.24133254 -0.25028673 -2.07837552 1.11263 -2.666757 -10.11532122 -22.8764422 -49.37709177 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00258241-01 196716392 tox21-ror-cho-viability-p1 set2 4 -2.34565387 -0.23764156 0.11518183 -0.82392041 0.79691758 0.55144744 -1.09464297 -2.65736335 -0.71997662 -1.26705255 -2.44254712 0 -1.25517123 -0.78114558 -0.25081447 1.1699999999E-9 2.6159999999E-9 5.849E-9 1.3079999999E-8 2.925E-8 6.539E-8 1.462E-7 3.27E-7 7.311E-7 0.000001635 0.000003656 0.0000081739999999 0.00001828 0.000040869999999 0.000091389999999 18708-70-8 29228 144207885 A Ac 2,4,6-Trichloronitrobenzene O=[N+]([O-])c1c(Cl)cc(Cl)cc1Cl Tox21_200687 -NCGC00179532-03 196712678 tox21-ror-cho-viability-p1 set2 4 0.421632496 -2.976169896 -0.5 -3.476169896 2.4063783767 0.3457960274 0.3289639916 0.53891346 -2.50243144 1.48085969 3.15306594 -3.41155339 -0.0919914 -2.68124602 0.06148269 0.34797653 -7.48014158 -3.59553166 -1.76673076 -5.03489251 -2.32773751 -2.8497477 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 96-82-2 7314 170466730 Z Lactobionic acid O=C(O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO Tox21_113353_1 -NCGC00090704-03 196712660 tox21-ror-cho-viability-p1 set2 4 0.23239761 0.30580674 0.9955201 0.89935745 -0.42080221 0.87375213 -0.1844926 0.48728288 0.13459661 0.95213738 2.9702428 1.45728379 2.41508184 4.59702828 5.00242139 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00015819-15 196712663 tox21-ror-cho-viability-p1 set2 4 29.8492948118 -13.9039513 -1 -14.9039513 2.0478617061 0.5931300748 0.1032523834 2.19265681 -7.32506428 -0.44419087 -2.28985854 0.34763878 -2.54402249 -0.19644862 -0.01716175 0.26377887 -2.57373351 0.51757808 0.51633136 -3.3457195 -5.27290519 -10.75329275 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54063-53-5 4932 170464755 A Propafenone hydrochloride CCCNCC(O)COc2ccccc2C(=O)CCc1ccccc1 Tox21_110228_1 -NCGC00015678-10 196712674 tox21-ror-cho-viability-p1 set2 4 -0.89277144 -1.86695954 3.88460306 -1.58753974 0.73130644 -0.9896496 -1.06384397 4.11891295 0.60945297 4.39643535 1.05241781 0.21267782 3.24939493 -2.20516179 -0.45809209 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 964-52-3 6420039 170465759 A Moxisylyte hydrochloride Cl.CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C Tox21_110194_1 -NCGC00181030-02 196712682 tox21-ror-cho-viability-p1 set2 4 -0.18329256 -1.41435691 -0.07347531 2.1625066 0.1648833 1.12929073 -0.5706469 -0.1744426 2.97294097 2.11654066 -0.69854713 2.59922647 2.89924854 2.17563591 1.33075651 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66-22-8 1174 170465915 Z Uracil O=C1C=CNC(=O)N1 Tox21_112680_1 -NCGC00163771-03 196713076 tox21-ror-cho-viability-p1 set2 4 -0.39203596 -0.92221047 -0.35381609 0.6099994 -1.50653336 -4.43883802 1.78851888 0.44276513 0.13866444 -3.4576334 -1.33360656 -6.51369305 -2.44216081 1.5785811 -0.34587581 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00254537-01 196715095 tox21-ror-cho-viability-p1 set2 1.1 3.0986539692 102.8519730526 -0.0624321711 102.7895408815 4.9549173134 0.992591248 1E-10 -0.29740288 -1.8906677 -1.24549914 -0.44160851 -1.06442418 0.27800401 -1.18649316 -0.87352399 -0.34608331 5.93838038 16.9248668 101.12622147 108.42778574 102.71458324 92.5043135 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 0.0000010299999999 0.000002304 0.000005152 0.00001152 0.00002576 0.0000576 13292-46-1 5458213 144210868 A B Rifampicin CN1CCN(CC1)/N=C/c3c2NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)C=CO[C@@]5(C)Oc4c(C)c(O)c(c2O)c(c3O)c4C5=O Tox21_300550 -NCGC00254958-01 196714270 tox21-ror-cho-viability-p1 set2 4 -0.60726139 -1.786557 -1.7819924 0.59033418 -0.96042276 -1.50340459 -0.60320662 4.6523767 0.54464982 2.90180832 3.20180979 1.65770223 -2.24363674 2.39283097 -0.38930336 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-60-6 61005 144211373 Z Z Phenoxyethyl isobutyrate CC(C)C(=O)OCCOc1ccccc1 Tox21_301056 -NCGC00254107-01 196714661 tox21-ror-cho-viability-p1 set2 -1.2 1.9134760647 -32.3819996324 1.3231120034 -31.058887629 2.1210667061 0.9296330747 0.0000528157 1.50116163 0.82835864 0.77338943 1.16155454 1.13079459 0.29771855 2.36121812 -0.30964116 1.0282862 -15.03832675 -20.46734264 -32.67868745 -27.57383032 -41.17654181 -23.19390264 1.1699999999E-9 2.6159999999E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.539E-8 1.462E-7 3.269E-7 7.311E-7 0.000001635 0.0000036549999999 0.000008173 0.00001828 0.000040869999999 0.00009138 3811-73-2 19658 144210448 F Sodium (2-pyridylthio)-N-oxide [Na+].[O-][n+]1ccccc1[S-] Tox21_300128 -NCGC00255093-01 196715088 tox21-ror-cho-viability-p1 set2 4 -0.08001273 0.29671164 -1.04265897 -1.24575798 0.3813723 -0.88092321 0.80432319 -0.93252988 0.00447231 -2.85693785 -0.04021738 3.80936438 5.86721609 3.51745962 5.48234105 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-23-0 7794 144211512 AC Ac Citronellal C\C(C)=C\CCC(C)CC=O Tox21_301195 -NCGC00091839-03 196713871 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -21.667838856 1 -20.667838856 4.9549173134 0.9681853077 6.89E-7 0.21373561 1.10541138 0.04738152 0.94302651 0.34773224 0.01185293 1.23039913 0.70837665 0.27577176 1.45137725 1.50831804 2.67391103 2.63705436 -0.48226304 -16.80653238 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00254915-01 196713857 tox21-ror-cho-viability-p1 set2 4 54.4826732819 12.800171196 -1.800171196 11 4.4494702849 0.7237002848 0.0288241661 0.67201155 -2.45935617 -0.8574267 -1.98940638 0.36083525 -5.61443863 -5.66680933 -0.48682443 -0.69088012 -2.26919589 0.21339913 -2.10511503 -2.17174476 1.20906003 9.76751458 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-83-1 8016 144211330 A A N-Methylethanolamine CNCCO Tox21_301013 -NCGC00254476-01 196713862 tox21-ror-cho-viability-p1 set2 4 0.14517795 1.32803223 1.06304339 2.21620932 -0.26636716 -0.11400338 1.26996506 1.11659149 1.76618214 4.19578752 -0.28085705 3.45892199 6.00183761 3.50258868 4.36033321 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-62-7 7450 144210680 CC 1,3-Diisopropylbenzene CC(C)c1cccc(c1)C(C)C Tox21_300362 -NCGC00253974-01 196713864 tox21-ror-cho-viability-p1 set2 4 1.1309941 -5.51243238 -1.84349501 -2.20412175 -2.4438801 -5.9072293 -0.98702519 -2.69748737 -2.39204883 -0.38661578 -1.96238785 -0.09825058 -1.08388476 2.31408629 -7.48846953 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2921-88-2 2730 144210468 B C Chlorpyrifos Clc1cc(Cl)c(Cl)nc1OP(=S)(OCC)OCC Tox21_300148 -NCGC00255070-01 196713874 tox21-ror-cho-viability-p1 set2 4 0.43601635 1.02240807 0.54527666 2.28470885 0.33764264 1.03991772 0.76306888 -0.44031661 0.43933493 -0.22577632 -0.15852037 2.87771634 2.69819565 2.40044781 1.42708719 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-49-3 7873 144211489 I Tetraethyl pyrophosphate CCOP(=O)(OP(=O)(OCC)OCC)OCC Tox21_301172 -NCGC00254235-01 196713878 tox21-ror-cho-viability-p1 set2 4 1.48191163 -0.3149857 2.50787203 2.40806618 1.65014813 3.53831041 1.67701431 0.75022806 1.50511287 8.49319631 -0.50433511 5.55753567 6.77430252 6.250961 9.33763918 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 83-41-0 6739 144210652 A A 1,2-Dimethyl-3-nitrobenzene Cc1c(C)cccc1[N+](=O)[O-] Tox21_300334 -NCGC00254374-01 196714285 tox21-ror-cho-viability-p1 set2 4 -0.72455566 0.33694343 0.05300843 -1.05237784 2.61622251 -0.79365555 -1.7863315 0.49328797 -1.40949147 1.64499863 1.84899998 1.59546896 1.93793076 -0.65371417 3.67628586 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22915-73-7 261668 144210843 F Hexane-1,6-diyl dibenzoate O=C(OCCCCCCOC(=O)c1ccccc1)c2ccccc2 Tox21_300525 -NCGC00094532-06 196714292 tox21-ror-cho-viability-p1 set2 4 0.0017527218 10.575290636 -8.575290636 2 4.9549173134 0.3955857783 0.2781376864 -7.14607553 0.8531737 0.27553118 -0.10908491 0.60162752 4.77497614 3.56970901 0.02443439 0.22320234 5.3946393 2.52910438 -4.01693626 8.3810503 2.47283833 0.522711 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00257265-01 196718395 tox21-ror-cho-viability-p1 set2 4 -2.94502173 -8.46179464 -5.79981267 -5.04207885 -0.61938987 -5.81857718 -5.30508166 -6.82664467 -4.65825774 0.36794774 -0.18898022 -1.31333784 0.06480939 -4.92131484 -9.63240164 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25550-98-5 16212880 144213833 F F Diisodecylphenyl phosphite CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1 Tox21_303526 -NCGC00256980-01 196718401 tox21-ror-cho-viability-p1 set2 4 -5.73138325 -0.8645235 0.12696019 -2.90243109 -6.94674603 -4.34839981 -6.08636372 -1.758681 -0.6504427 -4.41205562 -4.64393765 -3.11883045 -7.71693196 -1.63007404 0.65952493 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-30-7 31344 144213615 A A 2,2-Dimethylpropane-1,3-diol CC(C)(CO)CO Tox21_303298 -NCGC00257404-01 196718801 tox21-ror-cho-viability-p1 set2 4 3.98734062 -2.15312449 -1.97139039 2.96135003 3.96335527 2.07733178 -0.22461551 7.87195972 2.32090853 -0.43758391 5.20693704 5.93489818 6.35828707 -0.17995057 4.01119165 5.427E-10 1.213E-9 2.713E-9 6.067E-9 1.357E-8 3.034E-8 6.7829999999E-8 1.517E-7 3.3919999999E-7 7.5839999999E-7 0.000001696 0.0000037919999999 0.000008479 0.00001896 0.000042399999999 1883-78-9 61282 144213800 Z A Furfuryl isopropyl sulfide CC(C)SCc1ccco1 Tox21_303491 -NCGC00260489-01 196724238 tox21-ror-cho-viability-p1 set3 4 0.0019685578 13.739324924 -7.739324924 6 1.8579476909 0.3732357462 0.2984546612 -4.78277077 2.21504469 2.96587449 3.98731721 10.22567292 9.5790999 5.17467284 11.33530735 4.98234838 8.24913372 9.78037427 2.0131121 -1.11623066 0.12322807 9.59049735 1.198E-9 2.68E-9 5.992E-9 1.34E-8 2.996E-8 6.7E-8 1.4979999999E-7 3.35E-7 7.491E-7 0.000001675 0.000003745 0.000008375 0.00001873 0.00004187 0.00009363 7364-25-2 81829 144210141 A A 3-Indazolinone O=C1NNc2ccccc12 Tox21_202943 -NCGC00091146-04 196724247 tox21-ror-cho-viability-p1 set3 4 -0.92601177 -14.54542446 -8.55199073 2.79609852 -9.33395908 0.42827534 4.06420442 -0.29609473 1.01066343 2.08681005 1.59457313 0.10820397 -7.19297125 -9.15649284 -13.2784885 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00260378-01 196724648 tox21-ror-cho-viability-p1 set3 4 34.726127359 -18.648866276 0 -18.648866276 4.9549173134 0.7386078323 0.0231206908 -3.63819366 2.74883231 0.99113989 -6.26053174 3.8308128 -7.1054485 3.33100781 4.34045184 -1.7508401 1.0697639 -0.39307759 1.9049348 -0.57626003 -13.57486341 -18.87405523 1.19E-9 2.6619999999E-9 5.9519999999E-9 1.331E-8 2.976E-8 6.655E-8 1.4879999999E-7 3.3269999999E-7 7.44E-7 0.0000016639999999 0.00000372 0.000008319 0.0000186 0.00004159 0.000093 41372-20-7 107882 144210030 A A Apomorphine hydrochloride hydrate Cl.Cl.O.Oc3ccc4C[C@@H]1c2c(cccc2CCN1C)c4c3O.Oc3ccc2C[C@@H]1c4c(CCN1C)cccc4c2c3O Tox21_202832 -NCGC00357072-01 196724665 tox21-ror-cho-viability-p1 set3 4 8.1961467758 -9.5759654599 -0.5 -10.0759654599 0.8999999999 0.5327432415 0.152409427 -2.84484063 3.52735066 -0.02550966 1.35906492 -4.15027691 -3.6135324 0.47220734 -0.70766186 0.38272214 0.66521171 -3.94751814 -2.46942285 -3.34261014 -5.96168517 -7.56330455 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 175178-82-2 2051 251919837 A Tyrphostin Clc1cccc(c1)Nc3ncnc2cc(OC)c(cc23)OC Tox21_303781 -NCGC00095312-04 196725060 tox21-ror-cho-viability-p1 set3 4 0.10448909 2.17110585 -0.65775727 3.02055519 0.77739342 0.82181125 2.21312863 0.23284972 13.4753257 -0.53249006 5.91387452 1.12320451 -0.43112112 1.51792069 5.01709469 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 169590-41-4 3058754 170465679 A Deracoxib NS(=O)(=O)c1ccc(cc1)n3nc(cc3c2ccc(OC)c(F)c2)C(F)F Tox21_111503_1 -NCGC00260031-01 196724036 tox21-ror-cho-viability-p1 set3 -1.1 0.0529832206 -59.1385320666 -5.2078297629 -64.3463618295 1.6266150999 0.9701276986 4.735E-7 -4.54742655 2.62108015 -9.43053513 -10.98080842 -14.14194485 -21.8773848 -38.28902873 -61.57999648 -65.00403766 -69.45721748 -68.40202783 -66.27185855 -61.68923889 -55.88471499 -59.89043355 5.8899999999E-10 1.317E-9 2.945E-9 6.5859999999E-9 1.4729999999E-8 3.293E-8 7.3629999999E-8 1.6459999999E-7 3.6809999999E-7 8.232E-7 0.0000018409999999 0.0000041159999999 0.000009204 0.000020579999999 0.00004602 50-76-0 457193 144209680 A F Actinomycin D CC(C)[C@H]6NC(=O)[C@@H](NC(=O)c1ccc(C)c2OC3=C(C)C(=O)C(N)=C(C3=Nc12)C(=O)N[C@@H]5C(=O)N[C@@H](C(=O)N4CCC[C@H]4C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]5C)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]7CCCN7C6=O Tox21_202482 -NCGC00258173-01 196702023 tox21-ror-cho-viability-p1 set1 4 4.6491195552 5.153999484 -3.153999484 2 4.9549173134 0.3799130378 0.3106386377 -0.84195545 -2.83184761 -1.20432818 -8.04499957 0.58154517 -6.75501728 -1.99795498 -5.10173903 -1.92204117 -0.6379979 -3.83386849 4.47351604 0.79574323 0.61541534 -2.39358708 1.1379999999E-9 2.544E-9 5.688E-9 1.2719999999E-8 2.844E-8 6.3589999999E-8 1.422E-7 3.18E-7 7.11E-7 0.00000159 0.000003555 0.000007949 0.00001778 0.00003975 0.000088879999999 106-94-5 7840 144207817 FC Fc 1-Bromopropane BrCCC Tox21_200619 -NCGC00258113-01 196702421 tox21-ror-cho-viability-p1 set1 -2.1 52.3290407129 -90.8808538429 0.736147299 -90.1447065439 3.5117481694 0.9660882734 9.707E-7 4.2356875 1.71481743 2.7493051 3.66684165 2.15810149 4.49859781 -1.18262149 -0.34522842 0.3668676 -12.02773281 0.76892229 0.13069683 0.82446956 -24.90544662 -78.1399292 1.141E-9 2.5509999999E-9 5.7039999999E-9 1.2749999999E-8 2.852E-8 6.377E-8 1.426E-7 3.189E-7 7.1299999999E-7 0.000001594 0.0000035649999999 0.000007972 0.00001782 0.000039859999999 0.00008912 1943-97-1 102724 144207757 A A 4,4'-Octahydro-1H-4,7-methanoindene-5,5-diyldiphenol Oc1ccc(cc1)C4(CC2CC4C3CCCC23)c5ccc(O)cc5 Tox21_200559 -NCGC00163906-02 196698285 tox21-ror-cho-viability-p1 set1 4 -0.81010446 -4.38687136 4.38043172 3.33804913 -0.86203754 -2.16466033 -0.53049384 -0.25483831 0.51106234 0.93090827 3.61367496 0.95205129 4.9151995 3.14530248 4.24537019 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00183845-01 196697868 tox21-ror-cho-viability-p1 set1 4 0.073048235 5.2302545599 -1.2302545599 4 2.2526478767 0.45633852 0.2374099989 0.20525917 -2.46118779 -0.44868829 1.37664135 -1.44094784 -5.1918788 -0.9820839 3.9245362 0.00825279 4.60300473 4.3408396 8.34274427 -1.39334247 5.23241462 0 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 103922-33-4 5282450 144206830 A A Pibutidine NC=3C(=O)C(=O)C=3NC\C=C/COc2cc(CN1CCCCC1)ccn2 Tox21_113279 -NCGC00091632-02 196697882 tox21-ror-cho-viability-p1 set1 4 3.36110789 1.3073679 -1.4127458 0.86706092 1.21068457 -1.27597879 0.1370226 -4.0203457 3.15264387 0.96799126 -4.60846101 -2.35733499 -2.06931238 -0.08330051 -1.65407297 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00163815-04 196698294 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -37.065859496 1 -36.065859496 4.9549173134 0.922132399 0.0000901525 0.66246775 0.67028236 1.70873845 0.68243801 0.7693955 0.65567255 -3.27273577 5.15154725 -0.1340066 1.1893711 3.1541593 0.86880559 -3.8932867 0.21631601 -29.22154958 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00024016-03 196698295 tox21-ror-cho-viability-p1 set1 4 1.21336774 0.32501941 0.09020762 1.65843643 1.15007405 -0.82629596 2.5538348 0.01702222 2.01895133 0.57959122 1.42238016 6.14021473 -0.70211026 -0.93111051 -1.46888567 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57524-89-7 5282494 170464775 A Hydrocortisone valerate OCC(=O)[C@@]4(OC(=O)CCCC)CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_110853_1 -NCGC00015156-15 196698302 tox21-ror-cho-viability-p1 set1 4 -3.30845974 -0.58869421 -3.64482001 -5.12344927 1.12026695 -4.4940337 -4.81318939 -2.29826084 -1.9070593 -1.65612328 -2.62514494 -0.73639221 -1.15423642 0.46790404 -1.2014309 5.899E-12 1.319E-11 2.949E-11 6.595E-11 1.475E-10 3.2969999999E-10 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 1134-47-0 2284 170465099 A Baclofen Clc1ccc(cc1)C(CN)CC(=O)O Tox21_110090_1 -NCGC00254013-01 196698707 tox21-ror-cho-viability-p1 set1 -2.1 50.9014133023 -108.8748919556 -2.8453988819 -111.7202908375 2.4729283767 0.935104328 0.000034358 0.92568796 3.50206383 0.44514617 -3.14744108 -0.57973738 -20.30673922 -0.03822371 -1.00597956 2.19184088 -13.18315958 -3.34933595 -3.37406995 -12.26092838 -37.47079134 -89.95192499 1.115E-9 2.493E-9 5.574E-9 1.246E-8 2.7869999999E-8 6.2319999999E-8 1.394E-7 3.1159999999E-7 6.9679999999E-7 0.000001558 0.000003484 0.00000779 0.00001742 0.00003895 0.000087099999999 NOCAS_47353 60196404 144210556 A A SSR 241586 HCl Cl.O=C(N3CC(CCN1CCC(CC1)(C(=O)N(C)C)N2CCCCC2)(OCC3)c4ccc(Cl)c(Cl)c4)c5ccccc5 Tox21_300236 -NCGC00254623-01 196714335 tox21-ror-cho-viability-p1 set2 4 -0.27065651 0.70244422 -6.42016748 -3.56191039 -1.87308679 -1.21380885 -7.43935365 -0.73467199 -7.07312767 -1.68833461 -2.5502502 -3.3320238 -2.4389842 -6.65165379 -2.76936595 1.367E-9 3.0569999999E-9 6.836E-9 1.529E-8 3.418E-8 7.6429999999E-8 1.709E-7 3.8219999999E-7 8.5459999999E-7 0.000001911 0.000004273 0.000009554 0.00002136 0.00004777 0.0001068 3260-85-3 76748 144211034 A Fns 4-Chloro-2-methylanisole COc1ccc(Cl)cc1C Tox21_300717 -NCGC00256643-01 196718478 tox21-ror-cho-viability-p1 set2 4 -4.3018004 -3.6583114 -3.09092235 1.11809883 -5.64546006 -5.79718237 0.09772725 -2.68084924 0.07640766 -0.07958487 -0.54030497 -1.18767985 -12.04462686 0.70751289 0.09697615 5.891E-10 1.317E-9 2.9459999999E-9 6.587E-9 1.4729999999E-8 3.293E-8 7.3639999999E-8 1.647E-7 3.682E-7 8.233E-7 0.0000018409999999 0.000004117 0.0000092049999999 0.000020579999999 0.00004602 13446-18-9 202877 144212781 Magnesium dinitrate hexahydrate O.[Mg+2].O.O.O.O.O.[O-][N+]([O-])=O.[O-][N+]([O-])=O Tox21_302464 -NCGC00256685-01 196718882 tox21-ror-cho-viability-p1 set2 4 -2.95466547 -1.87124233 -5.2172659 -2.00252101 -3.93887723 -0.45509847 -4.03092246 -1.60738985 -7.57270677 -6.76142281 -1.17714518 0.49994234 0.30066006 -0.50943183 -3.16057508 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 143-13-5 8918 144212853 A Ac Nonyl acetate CC(=O)OCCCCCCCCC Tox21_302536 -NCGC00254528-01 196714340 tox21-ror-cho-viability-p1 set2 4 -1.33899048 2.50201039 -2.49165554 0.31581468 -0.52841561 0.06703795 -0.05836418 -0.36133694 -1.54744128 0.12524321 0.929368 -4.82083964 3.32962878 -3.04356816 -0.66541023 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27955-94-8 93118 144210720 A A 4,4',4"-Ethane-1,1,1-triyltriphenol CC(c1ccc(O)cc1)(c2ccc(O)cc2)c3ccc(O)cc3 Tox21_300402 -NCGC00255035-01 196714337 tox21-ror-cho-viability-p1 set2 4 -0.51032741 -0.79279719 1.5318478 1.6838035 1.42593244 0.44423747 -0.3299977 0.26482032 1.67787958 2.41343888 0.23682022 2.99507876 4.40132668 1.26998067 4.42404546 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-59-1 7996 144211453 Ac 2-Isopropoxyethanol CC(C)OCCO Tox21_301136 -NCGC00254721-01 196714339 tox21-ror-cho-viability-p1 set2 4 -1.20212392 -1.76199597 -3.1448402 -0.94530789 -0.84017915 -1.55378199 0.47545802 1.78309637 -1.94145698 -0.3235393 2.64791018 2.26072518 1.16219335 2.07991623 3.14326676 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2212-67-1 16653 144211134 A A Molinate O=C(SCC)N1CCCCCC1 Tox21_300817 -NCGC00254372-01 196714345 tox21-ror-cho-viability-p1 set2 4 -0.392242 2.10641229 1.91549152 0.90724588 1.20969207 -0.29904172 -1.19166311 -12.58299705 -0.92003261 0.05309782 1.47341929 -1.23308488 0.51571791 0.00080074 3.31725038 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3056-17-5 18283 144210900 A A Stavudine CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@@H](CO)O2 Tox21_300583 -NCGC00254453-01 196714348 tox21-ror-cho-viability-p1 set2 4 0.06596592 0.11626656 0.21513046 2.90779078 -0.18733176 3.57389641 3.9294209 -1.15828594 -0.55042484 1.11651949 3.31813693 4.24366052 5.20225561 4.27586242 0.77455281 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-60-6 10698 144210666 A A 2,4,6-Trimethylphenol Cc1cc(C)c(O)c(C)c1 Tox21_300348 -NCGC00015060-14 196715155 tox21-ror-cho-viability-p1 set2 2.4 67.9623322576 33.0928294521 0.9071705479 34 4.9549173134 0.9471538999 0.0000114456 0.82387435 1.82045 2.22917378 0.01340138 0.5888399 -0.27626879 0.61306318 4.40563429 0.5669265 1.65448626 0.14211565 4.58924293 -0.91069121 2.23883534 27.94433476 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00254882-01 196715166 tox21-ror-cho-viability-p1 set2 4 -2.51852901 -3.80876578 -0.02423669 -2.99176257 -0.9270164 -6.91644595 -5.81042576 -1.96678028 1.95833957 2.83579281 -2.19601672 -2.972721 -0.18782015 0.96701249 0.47657176 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84-74-2 3026 144211297 A A Dibutyl phthalate O=C(OCCCC)c1ccccc1C(=O)OCCCC Tox21_300980 -NCGC00258488-01 196715571 tox21-ror-cho-viability-p1 set2 4 0.98338199 -4.84070192 2.43529112 -3.46904436 -3.67854388 -2.75734156 2.78168765 -4.05362937 2.18879766 -6.08306274 1.89270259 0.45467579 -4.72938705 -1.15500284 0.14898637 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.312E-7 7.405E-7 0.000001656 0.000003702 0.000008279 0.00001851 0.0000414 0.00009256 8001-79-4 144208132 M Fns Castor oil Tox21_200934 -NCGC00257963-01 196715584 tox21-ror-cho-viability-p1 set2 4 -5.44353049 -0.15594421 -0.36572339 -0.02972747 0.08774202 4.26393893 0.69678536 1.58460667 1.66081992 0.33034468 0.56480217 -2.02138146 0.22624206 1.50208875 0.49689435 1.196E-9 2.674E-9 5.9789999999E-9 1.337E-8 2.989E-8 6.684E-8 1.4949999999E-7 3.3419999999E-7 7.4729999999E-7 0.000001671 0.000003737 0.000008355 0.000018679999999 0.000041779999999 0.000093409999999 121-91-5 8496 144207607 A A 1,3-Benzenedicarboxylic acid OC(=O)c1cccc(c1)C(=O)O Tox21_200409 -NCGC00258736-01 196715989 tox21-ror-cho-viability-p1 set2 4 1.8782049249 -4.3901695519 1 -3.3901695519 4.9549173134 0.3320140466 0.3399828231 3.40532637 4.07221953 0.03571753 -2.82533682 -0.07261523 3.00825514 -4.13567423 1.76098572 1.26471416 -0.09018163 -5.67685765 -4.55700893 -0.11430992 0.41873783 -6.99180796 1.152E-9 2.5769999999E-9 5.7609999999E-9 1.288E-8 2.8809999999E-8 6.442E-8 1.44E-7 3.221E-7 7.2019999999E-7 0.00000161 0.000003601 0.0000080519999999 0.000018 0.00004026 0.00009002 1634-04-4 15413 144208382 FNS Methyl tert-butyl ether CC(C)(C)OC Tox21_201184 -NCGC00257820-01 196715996 tox21-ror-cho-viability-p1 set2 4 1.06589374 -0.45539819 -4.39781274 -1.48146698 1.74547903 0.85977746 -0.65924849 1.50101563 -0.62606217 -0.14043587 1.31904836 0.8911653 0.17880939 2.39079246 3.21858131 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 100-44-7 7503 144207464 D Benzyl chloride ClCc1ccccc1 Tox21_200266 -NCGC00257767-01 196715527 tox21-ror-cho-viability-p1 set2 -3 61.6904908231 -65.1181062375 1.0320972499 -64.0860089876 4.5044702849 0.9746381586 1.864E-7 4.45203624 3.06857544 0.30571624 0.00406325 1.10672252 4.17367032 0.28116012 0.55686808 2.00807996 2.60485051 3.11556118 -5.13962435 -1.15655735 -8.00383885 -55.22699126 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.000092909999999 54574-82-2 1910825 144207411 A A 2-[4-(Dibutylamino)-2-hydroxybenzoyl]benzoic acid O=C(c1ccc(cc1O)N(CCCC)CCCC)c2ccccc2C(=O)O Tox21_200213 -NCGC00163771-03 196715526 tox21-ror-cho-viability-p1 set2 4 1.59975547 1.0989526 -5.29568474 -0.41029013 0.94246345 -1.44136985 1.10232191 -0.42844101 -0.37045528 1.12369074 0.06401945 0.05587695 1.34454555 -0.48591301 1.72510927 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00258467-01 196715531 tox21-ror-cho-viability-p1 set2 4 0.1085966845 9.474501276 -7.474501276 2 0.5999999999 0.7354104764 0.0245065967 -5.78515838 -5.95553666 -7.89541773 -7.39232244 -1.85048917 -2.18362244 -2.4542373 -4.61243798 0.93054448 1.40340199 3.70059121 -2.3864023 1.41891098 2.36561015 1.97244825 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 75-96-7 6415 144208111 Tribromoacetic acid BrC(Br)(Br)C(=O)O Tox21_200913 -NCGC00258487-01 196715936 tox21-ror-cho-viability-p1 set2 4 2.06698697 -1.242523 -1.47338928 -0.59305582 -1.16658807 -1.44507036 0.37363807 -0.83060483 -1.57775931 -3.03179101 0.80849248 1.99598839 1.58664263 -0.83586924 1.04101391 1.1919999999E-9 2.6649999999E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004163 0.000093099999999 119-33-5 8391 144208131 A F 4-Methyl-2-nitrophenol O=[N+]([O-])c1cc(C)ccc1O Tox21_200933 -NCGC00258188-01 196715940 tox21-ror-cho-viability-p1 set2 4 1.33221689 -7.68012614 -0.66647576 -3.58788293 -6.42470458 -0.67337466 1.16525678 -4.56818304 1.57742766 3.15946387 -2.89766105 -6.28643721 -1.98672736 -0.62552227 1.78899105 1.2049999999E-9 2.695E-9 6.026E-9 1.347E-8 3.013E-8 6.737E-8 1.506E-7 3.368E-7 7.5319999999E-7 0.0000016839999999 0.000003766 0.000008421 0.000018829999999 0.000042109999999 0.00009415 100-52-7 240 144207832 A Benzaldehyde O=Cc1ccccc1 Tox21_200634 -NCGC00258755-01 196715942 tox21-ror-cho-viability-p1 set2 -1.2 13.7829081753 -35.679277636 1 -34.679277636 2.3331733767 0.9827310469 2.03E-8 -0.50020351 3.75582323 0.00332832 1.70709042 0.21601484 0.92607658 0.89535881 2.94695337 0.00486532 -0.52884738 0.61281829 -7.10266096 -24.14434512 -35.14939803 -31.11118354 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.968E-8 6.6359999999E-8 1.484E-7 3.318E-7 7.4189999999E-7 0.000001659 0.000003709 0.000008295 0.00001855 0.000041469999999 0.00009274 26538-44-3 2999413 144208401 A A Zearalanol Oc1cc(O)cc2CCCCC[C@@H](O)CCC[C@H](C)OC(=O)c12 Tox21_201203 -NCGC00258615-01 196716364 tox21-ror-cho-viability-p1 set2 4 67.2664740676 -25.6335304279 2.5 -23.1335304279 4.9549173134 0.9179751777 0.0001187477 1.68526506 2.28804785 1.20186506 1.70047584 2.55613436 4.90484421 -0.33601322 2.2183013 4.81239449 0.98952981 4.43176921 4.20373148 0.30098327 0.99234317 -18.44460869 1.1609999999E-9 2.5959999999E-9 5.805E-9 1.298E-8 2.9019999999E-8 6.4899999999E-8 1.451E-7 3.245E-7 7.256E-7 0.000001622 0.000003628 0.000008112 0.00001814 0.00004056 0.0000907 17540-75-9 86583 144208260 A A 4-(Butan-2-yl)-2,6-di-tert-butylphenol CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(C)CC Tox21_201062 -NCGC00258757-01 196716367 tox21-ror-cho-viability-p1 set2 4 -0.32538625 1.3320112 0.39609477 0.129886 -0.17316107 -0.19243436 -1.123353 0.29219994 -1.41307252 0.3562768 -0.13830327 -1.50051311 0.02554892 1.0747369 0.36919899 1.188E-9 2.657E-9 5.941E-9 1.3279999999E-8 2.9699999999E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016609999999 0.000003713 0.000008303 0.00001856 0.000041509999999 0.00009282 25134-21-8 6602188 144208403 FC Methylnadic anhydride O=C2OC(=O)[C@]3(C)[C@@H]1C=C[C@@H](C1)[C@H]23 Tox21_201205 -NCGC00090942-03 196716375 tox21-ror-cho-viability-p1 set2 -2.1 61.130564862 -113.3385025642 -1.873402235 -115.2119047992 2.3031167061 0.9859619191 6.1E-9 -2.59565115 1.45227629 0.19919162 1.15520718 -2.0736904 -1.65965455 -0.11871546 0.27794211 -4.00390785 0 -7.8226942 -5.9340813 -11.18709468 -33.69656502 -87.28174606 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00015784-14 196716779 tox21-ror-cho-viability-p1 set2 4 0.9439175816 8.4610443399 -6.9610443399 1.5 1.01 0.5100511979 0.1702989797 -6.4981835 -9.38504208 -11.21753695 0.55593202 -2.48851495 -8.71605648 -9.49467913 -7.02531002 -0.080839 -5.83310586 -0.50450264 0.37938888 -0.09608747 1.01303666 1.68802664 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 75444-65-4 4847 170466281 A Pirenperone Fc1ccc(cc1)C(=O)C4CCN(CCC3=C(C)N=C2C=CC=CN2C3=O)CC4 Tox21_110220_1 -NCGC00253673-01 196713058 tox21-ror-cho-viability-p1 set2 4 -0.37095903 -0.18466336 2.37366074 0.97334384 2.56239927 -0.66893999 -0.57948532 1.24283572 -1.14983149 1.14473794 1.0507081 -1.43439644 -0.60876872 4.25054146 -1.33300016 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1660-95-3 74266 170466767 Fc A Tetraisopropyl methylenediphosphonate O=P(CP(=O)(OC(C)C)OC(C)C)(OC(C)C)OC(C)C Tox21_113797 -NCGC00016407-08 196712657 tox21-ror-cho-viability-p1 set2 4 2.3710137656 -10.783075268 0.5 -10.283075268 4.9549173134 0.8677226291 0.0012684983 4.42478116 -1.39558876 1.26265309 0.47998093 -0.00142236 0.45487191 -0.25919435 2.29484404 0.26973616 -2.08247468 -0.63869952 -12.31922939 -11.15717901 -8.35231658 -8.10279968 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 144-82-1 5328 170465369 A Sulfamethizole Cc2nnc(NS(=O)(=O)c1ccc(N)cc1)s2 Tox21_110425_1 -NCGC00257225-01 196726745 tox21-ror-cho-viability-p1 set3 4 0.48566697 0.47550966 0.88249168 2.66459125 -1.73837549 -0.74436514 -3.37574131 -2.52299167 -0.55162527 0.50168689 2.77681946 -2.74804769 -1.88434128 -3.16617023 -1.03499784 4.686E-10 1.048E-9 2.343E-9 5.239E-9 1.1709999999E-8 2.619E-8 5.8569999999E-8 1.31E-7 2.929E-7 6.549E-7 0.0000014639999999 0.000003274 0.0000073219999999 0.00001637 0.00003661 379-79-3 9787 144213499 I I Ergotamine D-tartrate O=C(O)[C@H](O)[C@@H](O)C(=O)O.CN2C[C@@H](C=C1c3cccc4ncc(C[C@H]12)c34)C(=O)N[C@]5(C)O[C@]8(O)N(C5=O)[C@@H](Cc6ccccc6)C(=O)N7CCC[C@H]78.CN2C[C@@H](C=C1c3cccc4ncc(C[C@H]12)c34)C(=O)N[C@]8(C)O[C@]7(O)N([C@@H](Cc5ccccc5)C(=O)N6CCC[C@H]67)C8=O Tox21_303182 -NCGC00256918-01 196726731 tox21-ror-cho-viability-p1 set3 4 -0.09650574 5.51734972 -0.64644713 2.33085632 2.73702408 1.8082226 1.5025197 0.43133435 0.44195828 1.4186574 3.489798 0.30952247 4.778742 2.18878627 2.33384997 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 34413-35-9 36822 144212909 A B 5,6,7,8-Tetrahydroquinoxaline c1nc2CCCCc2nc1 Tox21_302592 -NCGC00091657-02 196726732 tox21-ror-cho-viability-p1 set3 4 0.0015355304 -22.7589951 21.5 -1.2589951 4.9549173134 0.6122888207 0.0884340507 16.75524651 -0.25491591 0.47102675 -5.08317251 -5.63788568 -4.18063234 -5.38798208 0.33357445 -0.62659745 -1.35896706 -7.71582925 6.89377797 1.15746962 2.34414198 0.24971043 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00257008-01 196726740 tox21-ror-cho-viability-p1 set3 -3 72.3028958747 -39.81860774 -2.5 -42.31860774 3.9899729863 0.7631871027 0.0157807307 4.87054324 -0.15876452 -9.83810659 -0.80462179 3.53685637 -8.52737995 -9.22529016 0 0 0 -0.98082169 -3.55725608 -6.10243172 -6.74641371 -32.76550645 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 84-61-7 6777 144213449 A A Dicyclohexyl phthalate O=C(OC1CCCCC1)c3ccccc3C(=O)OC2CCCCC2 Tox21_303132 -NCGC00256487-01 196727143 tox21-ror-cho-viability-p1 set3 4 7.6958821542 6.167700848 -2.167700848 4 3.0654483358 0.7391022259 0.0234867544 -1.55206181 0.31474535 -0.89756598 -5.97308404 -1.10648624 -3.14644424 -4.23717299 -2.63428116 -2.14712419 -1.12106131 -1.91474936 0.88236596 4.36763189 2.66191589 5.18988908 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77191-36-7 71157 144213342 A A Nefiracetam O=C2CCCN2CC(=O)Nc1c(C)cccc1C Tox21_303025 -NCGC00090686-07 196724304 tox21-ror-cho-viability-p1 set3 4 0.0611305649 13.538304496 -4.038304496 9.5 0.7999999999 0.7218178288 0.029164156 -4.24141594 1.53965833 -5.44858708 -3.27513564 0.92003229 7.24033917 5.35215067 4.21898188 5.65606379 6.99322571 9.57404503 14.66738368 13.28928483 7.03409319 5.5390833 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00254124-01 196699953 tox21-ror-cho-viability-p1 set1 4 3.96738967 -1.39544831 0.3923974 1.68781105 2.12183096 0.8605424 4.38459544 -0.61201632 4.55288426 2.50829758 0.05551244 4.5380896 -1.38103273 2.85142246 0.09406769 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-72-2 6944 144210352 AC Ac 2-Nitrotoluene Cc1ccccc1[N+](=O)[O-] Tox21_300032 -NCGC00254604-01 196699552 tox21-ror-cho-viability-p1 set1 4 16.5827088805 -11.7149892959 -0.5 -12.2149892959 4.9549173134 0.5250927663 0.1733909228 -6.13395699 -1.84867185 1.59153351 -2.3777266 -2.98230728 6.59142152 1.74438497 3.02330099 0.56738123 -4.55884327 -2.7532159 2.39889359 -7.44752722 -12.26249108 -5.28296321 1.1429999999E-9 2.555E-9 5.713E-9 1.277E-8 2.8559999999E-8 6.3869999999E-8 1.428E-7 3.194E-7 7.141E-7 0.000001597 0.000003571 0.000007984 0.00001785 0.00003992 0.00008926 82558-50-7 73672 144211013 A A Isoxaben CCC(C)(CC)c2cc(NC(=O)c1c(OC)cccc1OC)on2 Tox21_300696 -NCGC00254428-01 196699947 tox21-ror-cho-viability-p1 set1 4 -1.5508151 -1.01447372 1.87481532 -0.0299178 -1.03128456 -1.37254471 0.06018009 -2.98240789 -2.57839025 -1.69966318 -2.25826144 2.0602619 1.38111028 3.36145137 1.80891578 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25265-71-8 6537503 144210882 D Dipropylene glycol CCC(O)OC(O)CC Tox21_300565 -NCGC00254249-01 196699950 tox21-ror-cho-viability-p1 set1 4 -5.437687 -6.7438797 -8.17211262 -8.36432537 -6.24779942 -5.14086702 -7.24875968 -6.14556982 -2.90464936 -8.34954188 -7.64805527 -4.19696722 -7.75055813 0.14821573 0.89156624 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 3825-26-1 2776282 144210912 PFOA, ammonium salt [NH4+].FC(F)(C(F)(F)C([O-])=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300595 -NCGC00254151-01 196699955 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -27.196250892 -1 -28.196250892 1.0999999999 0.7833283309 0.0111397138 -1.62064503 -1.32507275 0.61281455 -0.29617867 -0.70715851 0.72314838 -1.75020734 0.56457991 -1.58834379 -6.12095542 -4.80508472 -6.5679599 -2.55695212 -7.42294173 -20.16354241 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 262376-75-0 9882837 144210547 C D HMR1426 Clc1cc2CC3SC(=NC3(O)c2cc1)c4ccccc4 Tox21_300227 -NCGC00254324-01 196699959 tox21-ror-cho-viability-p1 set1 4 2.85808239 0.20799553 -10.85621398 1.97461412 -3.71150573 -2.01297769 -2.19692016 -0.05721377 1.07884286 -3.98014819 -8.8978624 0.87470787 -2.34522997 -1.39593247 -2.67192304 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 496-72-0 10332 144210825 A D 3,4-Diaminotoluene Cc1cc(N)c(N)cc1 Tox21_300507 -NCGC00166079-02 196723641 tox21-ror-cho-viability-p1 set3 4 0.0211316824 -32.619132564 26 -6.619132564 0.2 0.486466981 0.1903712002 19.77605014 11.68681497 11.64463194 5.5699245 26.11010724 -1.39953998 8.92008233 1.32479819 8.19203478 7.55347844 4.21485771 0.69162504 -0.47475343 -2.18261047 -1.12908148 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 85-83-6 5876571 170465710 F C.I. Solvent Red 24 Cc4ccccc4/N=N/c3ccc(/N=N/c1c2ccccc2ccc1O)c(C)c3 Tox21_112307_1 -NCGC00262912-01 196723230 tox21-ror-cho-viability-p1 set3 4 -0.73303235 -0.05223165 0.56955902 -0.3425859 -0.08389972 0.54881502 -0.27384445 -0.14045779 -3.90597137 9.78190247 -10.60627828 -5.43995113 -1.70599373 -1.45143747 3.08009344 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 20662-53-7 88638 170466715 A F Benzimidazolone O=C2Nc1ccccc1N2C3CCNCC3 Tox21_113910 -NCGC00159462-04 196723631 tox21-ror-cho-viability-p1 set3 4 2.01206856 -5.72360623 -0.08421832 -0.5309454 -15.3540889 0 -1.99468697 0 0.78149002 0.00571968 -0.99577067 -2.72052362 -3.80875092 -2.94578874 -1.0430217 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 155213-67-5 392622 170464891 A Ritonavir CC(C)c4nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc3cncs3)C(C)C)cs4 Tox21_112969_1 -NCGC00253581-01 196723632 tox21-ror-cho-viability-p1 set3 4 0.95881873 -1.3705006 -1.27667902 -3.96326835 -0.47011269 -7.05541814 -7.01767963 -2.34240943 -3.27712346 -0.15049054 -3.71731506 -6.00658246 -4.67008199 -4.59795005 0.31818457 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 85801-02-1 5282183 170466014 F A Indomethacin farnesil Clc1ccc(cc1)C(=O)n3c2ccc(cc2c(CC(=O)OC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C)c3C)OC Tox21_113722 -NCGC00262952-01 196723642 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -108.6629778642 4.6013468485 -104.0616310157 4.9549173134 0.9322026966 0.0000433424 -0.38134188 -5.7102055 0.33770407 5.37569955 0.26418504 -0.35907867 1.43751173 -0.23827448 8.33877241 9.75240658 10.91223639 8.78218917 6.83786922 10.97001972 -91.28213247 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 700-13-0 12785 170466733 F F 2,3,5-Trimethylhydroquinone Oc1cc(C)c(O)c(C)c1C Tox21_113944 -NCGC00246967-02 196723643 tox21-ror-cho-viability-p1 set3 4 8.4126743008 8.5096783759 -1.0096783759 7.5 3.5117481694 0.6822615053 0.0470912468 -0.12536645 0.38628457 -0.52035978 0.55538183 -1.5870202 0.13401377 1.17873211 -0.43760058 -3.21323726 -4.21142155 -5.42473198 1.49979048 3.00277465 10.01160503 5.41568524 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2152-34-3 4723 170465421 A Pemoline NC1=NC(=O)C(O1)c2ccccc2 Tox21_112509_1 -NCGC00090704-03 196724046 tox21-ror-cho-viability-p1 set3 4 -2.27802464 -4.4406606 2.50590518 -1.952762 1.08589627 4.32157944 3.60637939 -0.55970483 3.26833064 3.78379526 2.17631443 4.90183088 -4.16349389 4.57000703 0.01419916 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00091586-02 196715615 tox21-ror-cho-viability-p1 set2 4 72.8297298982 -13.0865856999 -1.5 -14.5865856999 4.9549173134 0.7252308077 0.0285469753 -2.356973 -1.88497129 -1.15502485 -2.47361819 -2.34632448 -0.61267354 -5.83992813 -0.0894576 -0.85745966 -1.5890999 -1.47607226 -2.41362495 -0.29861096 0.17291433 -11.32215475 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00254168-01 196715195 tox21-ror-cho-viability-p1 set2 4 0.89380717 0.69068477 1.92397667 -0.26301801 0.90216935 -1.05424484 0.03906541 1.66788693 0.28630119 1.09734305 1.26207779 2.9600372 1.71202123 0.65487216 -0.18058782 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27138-31-4 101560 144210467 B B Di(propylene glycol) dibenzoate CC(OC(=O)c1ccccc1)COCC(C)OC(=O)c2ccccc2 Tox21_300147 -NCGC00163927-04 196715198 tox21-ror-cho-viability-p1 set2 4 3.92149026 -0.42723717 0.71379992 2.49397232 0.32885635 2.43277399 -1.15912863 -0.76135495 4.93315352 -0.72641519 -6.44455086 -1.46313735 2.91678194 6.23093607 2.40481387 1.203E-9 2.6889999999E-9 6.014E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003759 0.000008404 0.000018789999999 0.00004202 0.000093959999999 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00090962-05 196715598 tox21-ror-cho-viability-p1 set2 4 34.166596305 -15.3669946519 -0.5 -15.8669946519 1.34431 0.9064634966 0.000234626 0.97951746 -1.38737212 0.35105839 0.29467141 -1.53153363 -1.55816292 0.08620481 0.4946559 -1.39972714 -1.406491 -2.73207693 -2.21334158 -5.95076574 -6.89050439 -14.88916221 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00257777-01 196715619 tox21-ror-cho-viability-p1 set2 4 -1.09889043 2.42327801 4.93179153 3.6215782 5.40446153 4.19087974 4.53213621 4.79456737 2.61784507 3.69566153 6.35873452 6.39307433 2.08641036 3.53271539 4.49598021 1.1759999999E-9 2.63E-9 5.8799999999E-9 1.315E-8 2.94E-8 6.574E-8 1.4699999999E-7 3.2869999999E-7 7.35E-7 0.0000016439999999 0.0000036749999999 0.000008218 0.000018379999999 0.00004109 0.00009188 103173-73-5 23160050 144207421 A A 1-Ethylpyridinium hexafluorophosphate F[P-](F)(F)(F)(F)F.CC[n+]1ccccc1 Tox21_200223 -NCGC00258070-01 196715620 tox21-ror-cho-viability-p1 set2 4 3.70314567 -0.30546275 3.87969028 2.80193947 0.43024532 3.35817583 3.69922179 4.97780103 3.34346155 4.4619943 0.29832011 3.10340983 2.10024468 -0.70834228 -0.19352689 1.183E-9 2.6459999999E-9 5.916E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.395E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 64-75-5 54704426 144207714 I I Tetracycline hydrochloride Cl.NC(=O)C1=C(O)[C@@H](N(C)C)[C@@H]2C[C@H]4C(=C(O)[C@]2(O)C1=O)C(=O)c3c(O)cccc3[C@@]4(C)O Tox21_200516 -NCGC00244580-01 196716016 tox21-ror-cho-viability-p1 set2 -2.4 68.5896218971 -31.7335667919 1.5 -30.2335667919 4.0949729863 0.9625179593 0.000001718 2.76464932 2.48195303 2.08840432 3.2661026 0.72255397 0.83637247 -0.60148956 1.99377012 2.13659587 3.0598543 1.88237118 0.05943656 -0.87626646 -1.48523437 -23.11130566 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00258478-01 196716019 tox21-ror-cho-viability-p1 set2 4 1.50770162 2.35481261 -8.66758714 -2.20311537 -3.10785863 1.80501209 -0.02829421 -0.70017181 -1.08231219 0.63499535 1.44882233 1.26819381 0.91628925 -3.08812861 -1.45376151 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041229999999 0.00009218 67-52-7 6211 144208122 A Barbituric acid O=C1CC(=O)NC(=O)N1 Tox21_200924 -NCGC00090874-04 196716036 tox21-ror-cho-viability-p1 set2 4 43.8057889539 -15.6989846359 1 -14.6989846359 2.3331733767 0.9769971894 1.091E-7 1.41021476 1.5449506 0.70406872 0.36444563 1.10585097 0.42605412 0.34898948 2.21606441 2.15330066 0.88680624 0.69972661 0.51912968 -0.3389211 -6.46111777 -12.66582053 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00258729-01 196716433 tox21-ror-cho-viability-p1 set2 4 4.09033502 2.74394308 4.28001998 0.79548708 2.33542391 -0.58380034 4.32805543 5.21096143 4.78756868 4.86593806 0.59129509 -0.20561975 0.39165037 3.08085882 9.17142915 1.211E-9 2.709E-9 6.056E-9 1.3539999999E-8 3.028E-8 6.771E-8 1.514E-7 3.386E-7 7.5709999999E-7 0.000001693 0.0000037849999999 0.000008464 0.00001893 0.00004232 0.00009463 25584-83-2 61249 144208375 D Hydroxypropyl acrylate C=CC(=O)OCC(C)O Tox21_201177 -NCGC00090760-08 196716447 tox21-ror-cho-viability-p1 set2 4 68.1713220381 -17.648866448 1.5 -16.148866448 4.9549173134 0.8991379087 0.0003429523 -0.28630948 1.22664432 0.65133133 3.97514015 1.0189974 4.74255608 0.47622102 1.45512826 1.97306463 1.96769454 1.3372823 1.5464564 1.50277113 0.57018418 -13.04072204 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00016960-07 196716846 tox21-ror-cho-viability-p1 set2 4 -2.78356776 -2.77051952 -3.69684208 -7.31697515 -4.82408693 -1.98358201 0.84899597 0.74833978 0.74630314 -4.73994891 -0.84723076 -3.49779366 -2.59715677 0.24650712 -3.67234143 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 93479-97-1 3476 170464966 A Glimepiride CC=3CN(C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)N[C@@H]2CC[C@@H](C)CC2)C(=O)C=3CC Tox21_110713_1 -NCGC00254838-01 196714301 tox21-ror-cho-viability-p1 set2 4 1.9331181962 6.5835278879 -6.5835278879 0 4.9549173134 0.3565368437 0.3301608957 -1.25197154 -4.63376571 -10.16857568 -0.74473707 -8.95346549 -1.23898806 -11.66032892 -11.73627324 -9.12221723 -5.56746633 4.34249829 -3.22809086 -3.56668474 3.21878486 -3.54241548 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-74-2 7675 144211253 F 2-(Pyridin-2-yl)ethanol OCCc1ccccn1 Tox21_300936 -NCGC00254859-01 196714305 tox21-ror-cho-viability-p1 set2 4 54.4826732819 14.7729210159 -3.2729210159 11.5 2.6384283767 0.5977082606 0.0994155423 -0.1348031 0.36542755 -3.78057434 0.20311491 -4.13444639 -3.00449786 -0.32897412 -4.80706413 -8.97743418 -2.25674608 -6.76917489 -3.63529755 -2.09224696 1.27617542 8.64703479 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67-68-5 679 144211274 A A Dimethyl sulfoxide CS(C)=O Tox21_300957 -NCGC00254648-01 196713887 tox21-ror-cho-viability-p1 set2 4 -3.59175666 -2.514759 -1.78456716 -0.8896157 -1.26219786 -3.88278587 -3.96318879 -3.48399074 -8.56293833 -5.39385853 -4.36100803 -1.02782668 -4.01295807 -7.56562322 -3.22586227 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25057-89-0 2328 144211059 A A Bentazone CC(C)N1C(=O)c2ccccc2NS1(=O)=O Tox21_300742 -NCGC00254314-01 196713891 tox21-ror-cho-viability-p1 set2 4 -4.84992147 -5.61762895 -3.47573781 1.1089316 -1.41861497 -3.32792208 -8.56526046 0 -0.64726254 -1.46897632 -10.18331239 -6.13126796 -1.73292858 -3.9890667 -0.40778978 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 53894-23-8 104635 144210956 AC Triisononyl trimellitate CC(C)CCCCCCOC(=O)c1cc(C(=O)OCCCCCCC(C)C)c(cc1)C(=O)OCCCCCCC(C)C Tox21_300639 -NCGC00091009-05 196714308 tox21-ror-cho-viability-p1 set2 4 -8.89682027 -9.86946366 -7.33564313 -10.48496434 -9.6059591 -10.50441015 -15.24413896 -13.86574429 -7.92772522 -9.85765925 -12.03251065 -10.12678955 -5.13548038 -13.59242616 -21.29287306 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00254647-01 196714315 tox21-ror-cho-viability-p1 set2 4 6.2281625632 -8.935552468 0.5 -8.435552468 1.4780888099 0.6030035595 0.1096649895 1.71714649 -0.09671447 0.81703768 0.19144558 -0.64582511 0.93039694 -0.696603 1.66729297 -0.086567 -0.09151994 -5.98702133 -0.11621408 -12.86296039 -5.49627925 0.73537971 1.452E-9 3.246E-9 7.2579999999E-9 1.623E-8 3.629E-8 8.115E-8 1.8149999999E-7 4.057E-7 9.073E-7 0.000002029 0.0000045359999999 0.00001014 0.00002268 0.000050719999999 0.0001134 100-48-1 7506 144211058 AC Ac 4-Pyridinecarbonitrile N#Cc1ccncc1 Tox21_300741 -NCGC00254805-01 196714319 tox21-ror-cho-viability-p1 set2 4 0.43099173 2.73688032 -1.0232472 -0.43040921 -0.94071545 -0.20224385 0.58841065 0.39641338 0.02022361 4.78787444 0.68663984 3.20975864 4.78940012 0.01293715 0.92312198 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104098-48-8 91770 144211218 A A Imazapic O=C1N=C(NC1(C)C(C)C)c2ncc(C)cc2C(=O)O Tox21_300901 -NCGC00254465-01 196714713 tox21-ror-cho-viability-p1 set2 4 -2.04088336 0.55945689 2.2243238 0.72073365 2.36085808 2.32479198 2.20283252 0.79212422 1.76497669 5.74761286 1.28811991 5.64017081 2.70316468 3.79915211 4.0461307 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 82469-79-2 133914 144210839 A A Butyryl trihexyl citrate O=C(OCCCCCC)C(CC(=O)OCCCCCC)(CC(=O)OCCCCCC)OC(=O)CCC Tox21_300521 -NCGC00254715-01 196714717 tox21-ror-cho-viability-p1 set2 4 61.130564862 -12.807795736 3 -9.807795736 3.6272481694 0.7085968452 0.035101704 2.13648555 0.75098287 7.83638175 3.11773223 1.16052245 3.4050638 2.42543879 1.48820816 4.60340675 3.1883822 1.23710441 2.82358757 3.36927945 0.38016943 -7.33982978 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2310-17-0 4793 144211128 A A Phosalone CCOP(=S)(OCC)SCN1c2ccc(Cl)cc2OC1=O Tox21_300811 -NCGC00254739-01 196715136 tox21-ror-cho-viability-p1 set2 4 -3.22247052 -0.48532764 1.30419855 -2.18376266 -1.86881716 -0.11550618 -0.0340486 -1.96716952 -0.85277848 0.09810878 2.40453038 2.2367687 3.02828707 1.73795385 -6.00427549 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68052-23-3 107080 144211152 A A 2,2,4-Trimethylpentane-1,3-diyl dibenzoate CC(C)C(OC(=O)c1ccccc1)C(C)(C)COC(=O)c2ccccc2 Tox21_300835 -NCGC00254192-01 196715137 tox21-ror-cho-viability-p1 set2 4 0.19020596 2.41054996 2.67602763 -1.34629864 0.27294704 5.00504274 0.55003014 -0.09728321 1.95383058 4.14545224 4.39225125 2.76261142 3.29250637 2.76400204 1.94412115 1.1219999999E-9 2.509E-9 5.61E-9 1.254E-8 2.8049999999E-8 6.272E-8 1.402E-7 3.1359999999E-7 7.012E-7 0.000001568 0.0000035059999999 0.00000784 0.00001753 0.0000392 0.00008765 184653-84-7 193943 144210533 A A Carabersat Fc1ccc(cc1)C(=O)N[C@H]2c3cc(ccc3OC(C)(C)[C@@H]2O)C(C)=O Tox21_300213 -NCGC00254762-01 196715139 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -11.6071935399 0.5 -11.1071935399 4.4494702849 0.8983715554 0.0003676592 0.90776203 -0.69713155 1.29985669 1.30101075 -0.63647689 1.74097653 1.57790127 0.77617608 -0.13381861 -0.80848906 0.36067031 0.46024453 0.97685943 -0.69522493 -8.83932795 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60207-90-1 43234 144211176 A A Propiconazole Clc1ccc(c(Cl)c1)C3(Cn2ncnc2)OCC(CCC)O3 Tox21_300859 -NCGC00179265-03 196725562 tox21-ror-cho-viability-p1 set3 4 0.0000084127 15.626394944 -16.126394944 -0.5 4.9549173134 0.7294035656 0.0265718027 -13.85532912 -1.81072572 2.61701146 -1.67488008 -0.47508433 -0.36599514 -1.60274687 1.73740006 -3.48892214 -4.20257935 -3.24156385 2.3742288 1.03562633 0.98718572 0.90636685 5.899E-12 1.319E-11 2.949E-11 6.595E-11 1.475E-10 3.2969999999E-10 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 56391-57-2 60196266 170465142 F Netilmicin sulfate O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.NC3CC=C(CN)OC3O[C@@H]2[C@@H](N)C[C@@H](NCC)[C@H](O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O)[C@H]2O.NC3CC=C(CN)OC3O[C@H]2[C@H](O)[C@@H](O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O)[C@H](NCC)C[C@@H]2N Tox21_110663_1 -NCGC00162359-04 196725141 tox21-ror-cho-viability-p1 set3 4 1.52521011 1.91497036 0.78586402 -2.00145858 2.2613536 3.08345265 4.90406551 -0.84915298 7.63036545 6.85090267 4.47961795 0.16636099 10.85159022 2.25691105 -0.9559545 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4272-74-6 73093 170466881 A N-alpha-p-Tosyl-L-lysine chloromethyl ketone hydrochloride Cl.Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCN)C(=O)CCl Tox21_111280_1 -NCGC00091657-02 196725143 tox21-ror-cho-viability-p1 set3 4 1.62478091 4.86531753 0.90653841 -0.34853346 0.40971448 4.64727549 2.48694184 4.43499351 -0.51340294 8.50013355 -0.99506817 3.95644983 14.85793516 4.42983486 0.07650053 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00160437-03 196725146 tox21-ror-cho-viability-p1 set3 4 0 0 6.6948887 0.54374705 -13.05647021 5.04393142 -11.9742024 -13.90434743 6.63929622 -16.84246231 -17.4401906 -13.18104087 6.64644066 -14.49248023 -17.13777444 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1213-06-5 14604 170466335 A Ethebenecid O=S(=O)(N(CC)CC)c1ccc(cc1)C(=O)O Tox21_111810_1 -NCGC00025345-02 196725569 tox21-ror-cho-viability-p1 set3 4 0.67654514 3.93130733 1.72911843 1.80862612 2.8975632 -1.33725912 9.79485547 7.47987421 1.57232812 1.38271779 3.45800351 5.92579089 2.85077317 1.03091654 9.33970049 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82248-59-7 54840 170465067 A Atomoxetine hydrochloride Cl.Cc2ccccc2O[C@H](CCNC)c1ccccc1 Tox21_110292_1 -NCGC00091586-02 196725571 tox21-ror-cho-viability-p1 set3 4 0.0028994038 -15.8115467119 4.5 -11.3115467119 3.1319983358 0.7296948776 0.0333314332 3.33775401 0 -14.037527 -12.80507098 -8.33456439 -10.91795318 -8.44904925 -11.74295309 -15.25962226 -13.85712018 -8.91806391 -6.25461756 -9.96481598 -12.21933022 3.18646277 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00015829-12 196725574 tox21-ror-cho-viability-p1 set3 4 42.1632496022 29.815916392 2.184083608 32 0.7999999999 0.4783777118 0.1977981805 0.41243389 3.46464498 1.99767028 1.45338848 2.16972909 3.48893733 0.40784613 -1.51326366 17.6639207 6.69046742 -0.3976166 0.80374363 1.55535375 12.25256725 26.09434021 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53-60-1 5887 170464766 A Promazine hydrochloride Cl.CN(C)CCCN1c3ccccc3Sc2ccccc12 Tox21_110235_1 -NCGC00253744-01 196725575 tox21-ror-cho-viability-p1 set3 4 0.001333319 14.6648812 -9.1648812 5.5 3.1319983358 0.4515997676 0.2231063621 -7.637401 -4.02166844 12.20806172 5.08262893 5.07953101 3.63891222 3.01118223 9.45769033 0.71168614 0.60734545 1.82756207 10.93929684 6.80613967 0.05607485 11.87137663 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 100-36-7 60993 170466702 Z Fc 2-Aminoethyldiethylamine CCN(CC)CCN Tox21_113860 -NCGC00090903-11 196725968 tox21-ror-cho-viability-p1 set3 4 -4.86423171 -9.43166947 0.19459544 2.34874744 2.39205991 -1.07346563 -3.35216525 2.06689741 -6.54239555 -5.71965288 -0.30035212 -4.70577712 -5.13464489 2.18793637 -0.13542246 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 599-79-1 5359476 170464716 A Sulfasalazine O=S(=O)(Nc1ccccn1)c3ccc(/N=N/c2cc(C(=O)O)c(O)cc2)cc3 Tox21_111037_1 -NCGC00160540-03 196725974 tox21-ror-cho-viability-p1 set3 4 0.0595571731 5.660814292 1.339185708 7 1.0999999999 0.4284820026 0.2637351445 2.42893072 -0.10181864 4.46995902 -0.13401191 4.26783306 1.03025302 4.39486758 3.76894568 12.67176148 7.80840075 7.04559982 1.69655145 8.38139717 6.87809781 -0.93623944 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1824-58-4 15763 170465925 A Ethiazide NS(=O)(=O)c2cc1c(NC(NS1(=O)=O)CC)cc2Cl Tox21_111883_1 -NCGC00160440-03 196725983 tox21-ror-cho-viability-p1 set3 4 0.0023710138 18.077690372 -5.077690372 13 0.8099999999 0.617812272 0.0979749419 -0.89807531 2.45158822 4.58758741 8.85626197 8.33137 13.93881213 5.43696014 12.41398121 16.64035846 20.10286311 13.85141683 15.21723651 8.31371294 8.56063489 4.77092502 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53808-88-1 68706 170466434 A Lonazolac O=C(O)Cc1cn(nc1c2ccc(Cl)cc2)c3ccccc3 Tox21_111812_1 -NCGC00257866-01 196729791 tox21-ror-cho-viability-p1 set3 4 -2.69676652 1.68310215 -4.01364221 -0.87769092 -1.88769059 0 -6.09033148 0 -0.40091071 -0.49662867 0 -19.20523505 -4.75497842 -3.21329901 -6.0753092 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.481E-7 3.311E-7 7.4029999999E-7 0.000001655 0.000003701 0.0000082769999999 0.00001851 0.00004138 0.00009253 32536-52-0 6537506 144207510 D Octabromodiphenyl ether Brc1c(cc(Br)c(Br)c1Br)Oc2cc(Br)c(Br)c(Br)c2Br Tox21_200312 -NCGC00258224-01 196729772 tox21-ror-cho-viability-p1 set3 4 -21.27587601 -18.85390989 -1.36460017 -24.19180316 -2.86268344 -1.65722721 -0.83335309 -21.58967123 0 0 -7.49259843 -0.03825316 -6.99030423 -4.61758597 -11.43455199 1.165E-9 2.606E-9 5.827E-9 1.303E-8 2.9139999999E-8 6.515E-8 1.457E-7 3.2579999999E-7 7.284E-7 0.000001629 0.0000036419999999 0.000008144 0.00001821 0.000040719999999 0.000091049999999 17700-09-3 28697 144207868 A A 2,3,4-Trichloronitrobenzene Clc1ccc([N+]([O-])=O)c(Cl)c1Cl Tox21_200670 -NCGC00254781-01 196699558 tox21-ror-cho-viability-p1 set1 4 -0.29301444 -0.44346651 -0.2287716 0.09610064 0.87757017 0.16088476 2.46760733 -0.22427127 0.90224828 1.24933039 1.56779848 0.02082183 0.45171153 -0.82668043 2.82990916 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1823-59-2 74574 144211194 A A 5,5'-Oxybis(2-benzofuran-1,3-dione) O=C1OC(=O)c2ccc(cc12)Oc3ccc4C(=O)OC(=O)c4c3 Tox21_300877 -NCGC00254204-01 196698722 tox21-ror-cho-viability-p1 set1 4 1.58029978 1.62752781 -0.81923407 -0.84411794 -0.26777382 1.27558004 -1.77776336 -0.26369566 4.90698169 -0.73851284 0.14589339 0.56990512 1.37323402 5.09766903 6.79729817 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-12-7 8418 144210334 F Anthracene c1ccc2cc3ccccc3cc2c1 Tox21_300014 -NCGC00254455-01 196698728 tox21-ror-cho-viability-p1 set1 -2.1 43.2771256911 -101.7023089622 1.0134614949 -100.6888474673 2.7202212143 0.9908417909 5E-10 -0.69870079 0.20881168 0.59057015 1.32545569 1.05303617 -0.86323893 0.73071914 -0.41369871 1.54183464 0.90161252 0.81532945 -0.47837756 -0.12376536 -49.54074145 -88.32355041 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10540-29-1 2733526 144210857 A A Tamoxifen CN(C)CCOc1ccc(cc1)/C(c2ccccc2)=C(/CC)c3ccccc3 Tox21_300539 -NCGC00091830-04 196699138 tox21-ror-cho-viability-p1 set1 4 -0.03563625 -2.70546771 -0.59751862 -0.28140322 0.26727359 -3.62299615 -0.71616471 -0.39037701 -0.6412463 -0.58322841 -5.01770837 -0.19128411 0.11557867 0.03480711 2.26053392 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00254739-01 196699559 tox21-ror-cho-viability-p1 set1 4 -2.80868066 -1.58484571 -0.44768559 -3.35097643 0.15583148 -6.95223192 -1.84141656 -0.15302465 -2.3703595 -1.0747012 -0.69190019 2.8071643 0.01999589 2.58880571 -6.12487615 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68052-23-3 107080 144211152 A A 2,2,4-Trimethylpentane-1,3-diyl dibenzoate CC(C)C(OC(=O)c1ccccc1)C(C)(C)COC(=O)c2ccccc2 Tox21_300835 -NCGC00254541-01 196699563 tox21-ror-cho-viability-p1 set1 4 -0.98003897 -1.03640394 -0.44665651 -4.56578922 -7.51662081 -4.66262725 1.72292291 -3.22327608 -2.27813765 -3.79089297 -5.07179795 -3.34424094 -2.65648273 -4.3492608 -0.10488466 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 319-85-7 727 144210941 A A beta-Hexachlorocyclohexane Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl Tox21_300624 -NCGC00254301-01 196699979 tox21-ror-cho-viability-p1 set1 4 10.5909294584 -16.8330735039 -1.5 -18.3330735039 4.0949729863 0.6691546045 0.0533219517 0.13767256 0.94938323 1.59754688 0.9326532 -1.16281952 -12.29845628 -9.00292388 -1.03440458 0.60113638 -1.01004976 0.36406029 1.9826669 -8.66105174 -15.40382476 -19.44422792 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66456-53-9 53316391 144210648 F Adipic acid, polypropyleneglycol, laurate CC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCC(=O)O Tox21_300330 -NCGC00090686-07 196699991 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -16.726931092 -2 -18.726931092 3.5117481694 0.5213990282 0.1604547185 -7.58555544 0.24194597 -1.58058408 -4.50772145 -4.4736546 0.42102431 3.55887903 -1.46163527 2.4564222 -4.61286816 0.94790428 -5.26975415 -2.80800257 -3.50863772 -14.35577591 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00254513-01 196699994 tox21-ror-cho-viability-p1 set1 4 -1.050115 -2.10027901 -1.52275848 -2.50580399 -3.69696473 -4.12251278 -0.67223011 -6.57019491 -1.20816904 0.01732505 0.06388281 -0.18363253 0.05940609 0.34369598 -4.10355497 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 214535-77-0 10407399 144210760 A A CP-457677 CC(C)(O)c1ccc(cc1)CNC(=O)c3cccnc3Oc2ccc(F)cc2 Tox21_300442 -NCGC00256116-01 196700397 tox21-ror-cho-viability-p1 set1 4 10.8707224818 -14.8789202799 5 -9.8789202799 0.5 0.4106146254 0.2619455672 0.78648514 8.84747966 2.59016279 1.60939612 9.38973579 8.76150489 2.06169821 0.25644071 -2.62961151 8.8665379 -9.0657669 1.67457709 -2.52522615 -3.02007769 -7.86790169 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2318-25-4 75345 144211900 D F Ethyl 3-ethoxy-3-iminopropionate hydrochloride Cl.O=C(CC(=N)OCC)OCC Tox21_301583 -NCGC00094521-05 196698353 tox21-ror-cho-viability-p1 set1 4 0.09650065 -0.34038179 0.38247234 -2.25897554 0.01575095 -2.29033904 -1.25804185 6.52524431 -0.08525213 -1.52755831 -0.02453494 -0.36408653 -4.0230926 -0.50459586 -1.63967149 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00091258-05 196698337 tox21-ror-cho-viability-p1 set1 -1.1 11.8832183006 -80.0340513621 -1.590794981 -81.6248463431 3.1319983358 0.9689959622 5.847E-7 -0.95095431 -0.48032185 -2.85697305 0.16714222 -3.30528356 -1.18409833 0.88359065 -1.44615841 -3.27946975 -0.96200985 -1.98399394 -10.97126922 -15.55840249 -80.02435916 -76.21834783 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4252-78-2 20250 170466727 F 2,2',4'-Trichloroacetophenone O=C(CCl)c1ccc(Cl)cc1Cl Tox21_113461_1 -NCGC00263564-01 196716861 tox21-ror-cho-viability-p1 set2 -2.2 2.9849294812 -40.0499101593 2.8255727504 -37.2243374089 3.9899729863 0.9299384606 0.0001086499 4.70310297 2.98745128 1.68298968 1.86002942 3.85474671 6.01705898 2.78567447 3.78264627 -0.13462687 1.97005342 -2.61985594 -27.24007732 -47.47148601 -27.25066316 -2.70957359 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 141505-33-1 3033825 170466128 A Levosimendan N#C/C(C#N)=N\Nc1ccc(cc1)C2=NNC(=O)C[C@H]2C Tox21_112191_1 -NCGC00159425-04 196716852 tox21-ror-cho-viability-p1 set2 4 0.67404705 0.5402783 2.76463045 3.40054908 5.49287038 3.58346261 -0.41057724 4.44882369 3.9495018 1.48052522 1.12046781 3.13182705 0.42722008 -0.80258058 1.45552386 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112-38-9 5634 170465527 Fc 10-Undecenoic acid O=C(O)CCCCCCCCC=C Tox21_111657_1 -NCGC00165865-02 196716862 tox21-ror-cho-viability-p1 set2 -1.1 13.3331902297 -79.1722364263 -1.009187836 -80.1814242623 3.9899729863 0.9464686369 0.0000121869 -5.58358946 -6.7458222 -6.57069948 -6.43668911 -2.62584409 -1.83640687 -4.87616371 -4.29985276 3.89709003 4.37478539 6.56956142 3.27797799 -3.14824569 -81.01463224 -83.52231694 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26864-56-2 33630 170466197 A Penfluridol FC(F)(F)c1cc(ccc1Cl)C4(O)CCN(CCCC(c2ccc(F)cc2)c3ccc(F)cc3)CC4 Tox21_113546_1 -NCGC00164583-02 196717269 tox21-ror-cho-viability-p1 set2 4 0.084126743 4.8298094839 -4.3298094839 0.5 1.6266150999 0.4841774773 0.1952397578 1.50335932 -5.05483117 -5.43371368 -9.85817457 -2.89927615 -2.89995542 -2.18510896 -0.17360626 -1.60014031 1.44422863 0.52575945 0.17745895 0.44078064 1.2811748 0.11603025 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 32887-01-7 36273 170465354 A Amdinocillin OC(=O)[C@@H]2N3C(=O)[C@@H](/N=C/N1CCCCCC1)[C@H]3SC2(C)C Tox21_112209_1 -NCGC00253629-01 196717275 tox21-ror-cho-viability-p1 set2 4 -2.41612468 -0.28502597 1.74689728 3.19994909 4.89950577 3.78227266 6.08122755 2.48123261 2.24413882 0.54381741 4.78396645 1.54999996 -1.25133519 4.66090046 1.33337788 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 41340-36-7 198231 170466701 A A 7-Ethyltryptophol CCc2cccc1c2ncc1CCO Tox21_113757 -NCGC00091313-03 196717279 tox21-ror-cho-viability-p1 set2 4 1.1981153 1.44397689 1.18224841 4.70618555 8.06519676 8.68232193 8.79461225 5.13833929 2.42914104 -0.0729033 0.33085037 1.66785082 0.09886378 -0.62305015 1.53006029 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 628-02-4 12332 170466213 A Hexanamide CCCCCC(N)=O Tox21_111111_1 -NCGC00015323-11 196717282 tox21-ror-cho-viability-p1 set2 4 2.32161507 0.03213632 4.67443466 4.38831205 6.85999097 6.56219217 6.28813077 8.87572309 2.64329563 2.92891504 0.05061771 1.2971555 0.46806693 0.57110247 0.56978571 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 541-22-0 10921 170465349 F Decamethonium bromide [Br-].[Br-].C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C Tox21_112035_1 -NCGC00024885-03 196717285 tox21-ror-cho-viability-p1 set2 4 2.69071578 3.05876323 1.80738086 2.34271191 5.97201951 -0.18862383 -0.42687974 -3.49845392 -0.02129168 2.64517033 -0.54822385 1.06394642 -0.60490322 1.8492281 1.74511662 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58493-49-5 5311093 170466401 A Olvanil Oc1ccc(cc1OC)CNC(=O)CCCCCCC/C=C\CCCCCCCC Tox21_110935_1 -NCGC00090774-05 196717682 tox21-ror-cho-viability-p1 set2 -1.2 7.4978038628 -60.5631196928 1.3444611759 -59.2186585169 1.692447691 0.988076561 2.3E-9 3.00572624 3.03024919 -0.24570301 -1.41358362 2.6803678 -0.44627114 2.55008595 -1.94244169 2.48647901 0.40662377 -0.22898436 -16.95500444 -34.57051328 -46.58934282 -58.52513905 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55981-09-4 41684 170465090 A Nitazoxanide O=C(Nc1ncc(s1)[N+]([O-])=O)c2ccccc2OC(C)=O Tox21_111018_1 -NCGC00263654-01 196717685 tox21-ror-cho-viability-p1 set2 4 1.61465354 2.28164237 3.50429715 4.8853516 5.62520358 3.92119613 8.28059367 0.59313135 2.88880931 -0.81740951 0.60957092 1.63374838 -0.35218636 1.91256845 0.23618895 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62658-63-3 44112 170466106 B Bopindolol CC(C)(C)NCC(OC(=O)c1ccccc1)COc3cccc2nc(C)cc23 Tox21_112017_1 -NCGC00274062-01 196717687 tox21-ror-cho-viability-p1 set2 4 5.3080386368 -10.023697728 3 -7.023697728 1.6266150999 0.8825886997 0.0007254575 2.62726353 1.14391066 1.67250289 1.90749101 5.81375043 3.49349386 3.83063864 2.52515958 1.68386411 4.0543328 -0.07475088 -0.07297576 -4.90984851 -5.62392812 -7.10308144 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 167465-36-3 153997 170465595 A F Zosuquidar trihydrochloride Cl.Cl.Cl.FC3(F)[C@@H]2c7ccccc7[C@H](c1ccccc1[C@@H]23)N4CCN(CC4)C[C@@H](O)COc6cccc5ncccc56 Tox21_113964 -NCGC00256584-01 196718107 tox21-ror-cho-viability-p1 set2 4 38.5707788719 -19.468349168 2 -17.468349168 1.372261 0.7895205763 0.6298540188 0.43019401 1.05040322 2.91097331 -44.74904812 0.08470819 5.49900197 1.06325984 5.85055137 -1.27200259 3.49644388 2.24257457 -4.40876069 -1.06394759 -6.72784034 -14.55695764 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-16-5 7327 144213127 A A 2,4-Dichlorophenyl benzenesulfonate Clc2cc(Cl)ccc2OS(=O)(=O)c1ccccc1 Tox21_302810 -NCGC00166158-02 196716878 tox21-ror-cho-viability-p1 set2 4 0.17545749 -3.46513124 -10.76432844 -17.41010502 -0.19874963 0.41934216 -3.005288 -1.53100432 -2.36422967 -3.65176521 -0.45549447 -15.0215452 -14.06970212 -14.31260672 -12.45518784 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14816-18-3 9570290 170466592 A Phoxim CCOP(=S)(O\N=C(/C#N)c1ccccc1)OCC Tox21_113357_1 -NCGC00257863-01 196715980 tox21-ror-cho-viability-p1 set2 4 -0.21788778 -5.72740751 -7.8645175 -3.58356375 -3.52306143 0.7420223 -8.74275654 -3.05206891 -1.10213232 -2.2759545 0.41787088 -1.73765436 0.87880764 -6.65181845 2.60832228 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041229999999 0.00009218 298-59-9 9280 144207507 A A Methylphenidate hydrochloride Cl.O=C(OC)C(C1CCCCN1)c2ccccc2 Tox21_200309 -NCGC00257998-01 196715559 tox21-ror-cho-viability-p1 set2 4 76.8805649772 -22.2189381319 1.5 -20.7189381319 4.9549173134 0.8611782824 0.0015945564 2.30767921 1.26687376 1.98349558 0.61378473 1.75842144 1.39210501 -1.38887459 0.49869088 -0.611105 -0.00549996 0.61896777 5.39961813 2.22835487 3.05243135 -15.59911511 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.000018429999999 0.0000412 0.000092129999999 301-02-0 5283387 144207642 A A (9Z)-Octadec-9-enamide NC(=O)CCCCCCC/C=C\CCCCCCCC Tox21_200444 -NCGC00257771-01 196715965 tox21-ror-cho-viability-p1 set2 4 -0.70236442 -3.1747306 -1.50266317 -2.46314653 1.26139425 -2.56825139 -4.06357103 1.90217902 -2.25763948 -0.26564938 -2.78793001 1.61313079 1.37921866 1.3928424 -2.44038669 1.203E-9 2.69E-9 6.015E-9 1.345E-8 3.0079999999E-8 6.725E-8 1.504E-7 3.3629999999E-7 7.519E-7 0.0000016809999999 0.000003759 0.000008406 0.0000188 0.00004203 0.000093989999999 140-29-4 8794 144207415 A A Benzyl cyanide N#CCc1ccccc1 Tox21_200217 -NCGC00258777-01 196715977 tox21-ror-cho-viability-p1 set2 4 3.96998695 1.13093093 0.19946074 -0.613331 -1.54074967 -0.93295422 -2.04196324 0.29454875 2.77642012 -1.82928694 -2.94640153 -1.79936879 0.38731499 -1.57494351 3.7035006 1.222E-9 2.732E-9 6.1089999999E-9 1.366E-8 3.055E-8 6.83E-8 1.5269999999E-7 3.415E-7 7.6359999999E-7 0.0000017079999999 0.000003818 0.000008538 0.00001909 0.000042689999999 0.000095459999999 2941-64-2 18056 144208423 AC Fns S-Ethyl chlorothioformic acid ClC(=O)SCC Tox21_201225 -NCGC00258242-01 196716390 tox21-ror-cho-viability-p1 set2 4 -1.4966984 -1.57753148 -2.73466668 1.08113879 -0.74820732 0.85144358 -2.53871812 0.34828312 0.6075136 -0.9047212 -0.77526925 -13.36035292 -0.9758048 -0.59549049 2.54316185 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.65E-8 1.487E-7 3.325E-7 7.4339999999E-7 0.000001662 0.0000037169999999 0.000008312 0.00001859 0.00004156 0.00009293 446-35-5 67967 144207886 A A 2,4-Difluoronitrobenzene Fc1cc(F)ccc1[N+](=O)[O-] Tox21_200688 -NCGC00258114-01 196716399 tox21-ror-cho-viability-p1 set2 4 29.0866786061 -14.305975544 8.5 -5.805975544 4.0949729863 0.9488975731 0.0000096288 8.96084789 7.55590286 6.77162909 8.36024692 9.01385741 8.99414567 7.90804 8.56996609 9.65682882 8.26500977 9.22078765 10.58554182 5.26306297 -1.7290571 -6.50497962 1.1299999999E-9 2.5259999999E-9 5.649E-9 1.263E-8 2.8249999999E-8 6.3159999999E-8 1.412E-7 3.158E-7 7.0609999999E-7 0.0000015789999999 0.000003531 0.000007895 0.00001765 0.00003947 0.00008827 85-19-8 6799 144207758 A A (5-Chloro-2-hydroxyphenyl)phenylmethanone Oc2ccc(Cl)cc2C(=O)c1ccccc1 Tox21_200560 -NCGC00258050-01 196716400 tox21-ror-cho-viability-p1 set2 4 4.05977957 1.47268207 2.0775608 1.26631703 3.95173332 5.83753595 1.16525007 3.5910185 3.53329674 5.64456275 3.52208186 3.33992725 -1.75436466 1.58452694 2.41285295 1.183E-9 2.645E-9 5.913E-9 1.322E-8 2.9569999999E-8 6.611E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.0000082639999999 0.00001848 0.00004132 0.0000924 695-53-4 3081 144207694 A A Dimethadione O=C1NC(=O)C(C)(C)O1 Tox21_200496 -NCGC00247680-01 196716799 tox21-ror-cho-viability-p1 set2 4 0.7435137124 -11.777523596 11 -0.777523596 4.9549173134 0.6829586325 0.0461647613 11.56465419 1.22348319 4.03962347 12.41453334 16.90182276 14.07734869 14.71461231 13.56878522 1.69910086 -1.81789972 -0.4320511 -3.14793633 -2.45110219 2.41452347 -0.24271161 1.529E-9 3.419E-9 7.645E-9 1.709E-8 3.8219999999E-8 8.547E-8 1.9109999999E-7 4.2729999999E-7 9.556E-7 0.000002137 0.0000047779999999 0.00001068 0.00002389 0.00005342 0.0001194 2922-44-3 92942 144206382 A A Dextromoramide tartrate O=C(O)[C@H](O)[C@@H](O)C(=O)O.C[C@H](CN1CCOCC1)C(c2ccccc2)(c3ccccc3)C(=O)N4CCCC4 Tox21_112829 -NCGC00091210-02 196716807 tox21-ror-cho-viability-p1 set2 -2.4 43.2771256911 -30.36484036 2.5 -27.86484036 1.9673362061 0.9408428391 0.0000210635 0.182634 1.38517189 1.48153676 4.70229646 3.76901067 3.23789711 5.68538917 4.91863481 -0.88094311 1.82071602 1.04244285 1.78542477 -1.77658998 -12.81169881 -21.9707003 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00254989-01 196715171 tox21-ror-cho-viability-p1 set2 4 3.56676748 -0.70232965 0.99975783 1.08870231 -0.327458 1.76657201 2.86047146 0.76551681 -0.18632872 0.54458051 1.73583704 3.14377489 4.0298409 3.53458492 0.33315206 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-49-1 7656 144211406 A A Dibenzylamine C(NCc1ccccc1)c2ccccc2 Tox21_301089 -NCGC00254952-01 196715157 tox21-ror-cho-viability-p1 set2 4 0.51502206 1.25953169 -1.29239372 1.30653283 0.98582935 1.12287039 1.8559881 1.05353108 0.38214234 2.95215049 1.25195088 -1.25583901 -0.10589646 0.18894491 -1.1448325 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78587-05-0 13218777 144211367 A A Hexythiazox Clc1ccc(cc1)[C@@H]2SC(=O)N([C@H]2C)C(=O)NC3CCCCC3 Tox21_301050 -NCGC00254164-01 196715164 tox21-ror-cho-viability-p1 set2 4 -0.65271597 2.44802906 2.38942234 1.23313295 -0.34575163 0.61362056 3.76303861 0.09146725 0.72174126 1.6983983 2.20582374 4.07644123 5.08351679 5.16836658 2.82542412 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 90-04-0 7000 144210373 A Ac 2-Anisidine Nc1ccccc1OC Tox21_300053 -NCGC00257235-01 196726810 tox21-ror-cho-viability-p1 set3 4 -3.04707446 1.03579302 -2.23514282 2.1525342 -1.4178408 -4.22331671 -2.87290917 -23.90493672 -2.40239781 -3.67851928 -2.07229738 -5.3166832 3.63134165 6.29871067 4.19214885 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 NOCAS_48166 60196435 144213657 A C PharmaGSID_48166 NC(=O)OC[C@H]4c1c(cc(C=O)cc1OC)N3C[C@H]2[C@H](N2C(C)=O)[C@@]4(OC(C)=O)O3 Tox21_303340 -NCGC00256534-01 196726402 tox21-ror-cho-viability-p1 set3 4 -0.42468986 -0.22313892 1.62072169 0.04173966 -10.16084264 1.35981177 -7.29045982 1.42246124 0.39788002 2.23110378 1.07257989 -6.56034745 0.88906178 1.37478058 -0.68783804 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-77-6 638014 144213179 Z F beta-Ionone CC=1CCCC(C)(C)C=1/C=C/C(C)=O Tox21_302862 -NCGC00257012-01 196726403 tox21-ror-cho-viability-p1 set3 -3 27.3060203028 -70.3048010069 0.4358176949 -69.868983312 4.9549173134 0.9387269504 0.000056466 0.33691802 -0.90921091 0.28186549 1.152219 2.8616321 1.72305679 2.3548457 -7.13276227 -2.07992128 -1.02397567 0 0.02396662 1.93323736 -72.78019095 -0.16426863 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-07-0 7421 144213504 A A 3-Dimethylaminophenol CN(C)c1cccc(O)c1 Tox21_303187 -NCGC00257435-01 196726408 tox21-ror-cho-viability-p1 set3 4 1.49462861 0.11786534 1.0349501 0.49317552 1.5067435 1.00580339 1.70665947 0.2467056 0.12641634 1.15706366 -0.65597692 2.38444502 1.76036266 1.8276316 1.32705419 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.934E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091699999999 70-55-3 6269 144213814 A A 4-Toluenesulfonamide Cc1ccc(cc1)S(=O)(N)=O Tox21_303506 -NCGC00257053-01 196726815 tox21-ror-cho-viability-p1 set3 4 1.64052804 0.47736965 0.60424202 1.53626715 0.56487726 3.1376014 0.499088 -1.46836122 -0.76428435 2.37323937 1.14672425 2.55192483 -0.45273712 1.58769384 2.84690571 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-18-5 7486 144213534 A Fns 1,4-Diisopropylbenzene CC(C)c1ccc(cc1)C(C)C Tox21_303217 -NCGC00257219-01 196727223 tox21-ror-cho-viability-p1 set3 4 -0.4790411 3.03675274 1.29391785 2.12935727 1.6453993 1.56797612 -0.04130603 -5.88825658 -0.31045406 -4.10897231 -1.86759587 -4.11537625 0.69297267 1.93096552 -0.8275701 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 930-69-8 4110039 144213419 Z F Sodium benzenethiolate [Na+].[S-]c1ccccc1 Tox21_303102 -NCGC00256383-01 196727224 tox21-ror-cho-viability-p1 set3 4 1.55855029 -0.49922176 -0.87565125 -8.2108397 -24.78720149 -6.40697118 -6.06885788 -1.1545152 -2.50295777 -1.97521726 -2.2990714 1.19256623 -0.01103317 -3.29406759 -9.33318769 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 608-73-1 727 144213242 F Fns 1,2,3,4,5,6-Hexachlorocyclohexane ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl Tox21_302925 -NCGC00256933-01 196727225 tox21-ror-cho-viability-p1 set3 4 -4.89238243 -2.89490195 -5.54841292 -2.9647862 0.53716599 -4.65940785 -0.6283707 -7.3434375 1.39144848 -0.84365499 0.41309436 -7.92242902 -3.13923525 -2.88716705 -7.13579313 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 933-75-5 13618 144213433 A A 2,3,6-Trichlorophenol Oc1c(Cl)ccc(Cl)c1Cl Tox21_303116 -NCGC00257071-01 196727228 tox21-ror-cho-viability-p1 set3 4 -0.25880696 2.30412935 -1.9121966 1.2330111 2.4482857 3.43741341 2.8072375 0.05875 0.43051866 4.01147363 6.09719232 1.96634944 2.23296861 0.77040401 3.26816059 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 7664-38-2 1004 144213563 A A Phosphoric acid O=P(O)(O)O Tox21_303246 -NCGC00357059-01 196724395 tox21-ror-cho-viability-p1 set3 4 -11.99291957 0.66777305 1.26902613 -3.49394227 6.40886716 1.37544211 6.46309651 -4.35514161 -6.71870932 -6.15415256 -2.85637849 -4.01075921 -9.07297996 -2.7249621 5.50767492 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1885-14-9 15891 251919790 F Phenyl carbonochloridate O=C(Cl)Oc1ccccc1 Tox21_303763 -NCGC00257877-01 196724390 tox21-ror-cho-viability-p1 set3 4 0.0019468875 14.1147665319 -15.1147665319 -1 0.3 0.3382822988 0.3330040789 -10.92897211 -6.20010361 -5.86799196 -5.92220801 -6.48191635 -5.10657476 0.87879977 -2.4251045 -4.58202066 -3.75302542 0.50988484 -5.38867147 -9.61559731 0.35215114 2.96487569 1.187E-9 2.6549999999E-9 5.937E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.3189999999E-7 7.421E-7 0.000001659 0.0000037099999999 0.000008297 0.00001855 0.000041479999999 0.00009276 523-87-5 10660 144207521 M M Dimenhydrinate CN(C)CCOC(c1ccccc1)c2ccccc2.O=C2c1nc(Cl)nc1N(C)C(=O)N2C Tox21_200323 -NCGC00258447-01 196702063 tox21-ror-cho-viability-p1 set1 4 -2.86498184 0.23696158 0.1963669 -1.85267836 -1.33445065 -2.8738128 -5.61924251 -2.35638373 -5.71866116 -2.93505125 -4.78852575 1.2306529 0.29391559 -10.86617596 -6.57906974 1.1759999999E-9 2.63E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.576E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.00000822 0.000018379999999 0.0000411 0.0000919 879-39-0 13428 144208091 Ac 2,3,4,5-Tetrachloronitrobenzene Clc1c(cc(Cl)c(Cl)c1Cl)[N+]([O-])=O Tox21_200893 -NCGC00095042-06 196701644 tox21-ror-cho-viability-p1 set1 4 0.0256540355 5.1074069721 0.3925930279 5.5 3.9294729863 0.5032240706 0.1945831417 -0.08950581 0.54996306 -0.07948169 1.4503853 3.22822668 10.83982014 1.99580504 3.27995822 7.64455446 5.45442727 7.70554487 2.94752272 7.0859194 3.15223403 1.70904222 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00257937-01 196701656 tox21-ror-cho-viability-p1 set1 4 -15.05805243 1.12635554 -6.77295574 -8.30234461 -15.37568751 -4.02433809 -10.83775609 2.34418258 3.09177011 -5.07603039 -14.43863354 -14.04806464 -15.33633772 -11.26490715 -6.32080002 1.158E-9 2.5899999999E-9 5.792E-9 1.2949999999E-8 2.896E-8 6.4759999999E-8 1.448E-7 3.238E-7 7.241E-7 0.0000016189999999 0.00000362 0.000008095 0.0000181 0.000040479999999 0.00009051 96-47-9 7301 144207581 FNS 2-Methyltetrahydrofuran CC1CCCO1 Tox21_200383 -NCGC00257663-01 196701658 tox21-ror-cho-viability-p1 set1 4 0.98847461 2.49728865 -8.43932021 -1.82526886 -6.08508538 -0.41889539 -3.23077309 -13.07566107 -0.45872972 0 0.35197595 -9.83373821 -14.25814015 -4.55356561 2.77783647 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.3169999999E-8 2.944E-8 6.583E-8 1.472E-7 3.2919999999E-7 7.3599999999E-7 0.0000016459999999 0.00000368 0.0000082289999999 0.000018399999999 0.00004115 0.000092 96-41-3 7298 144207307 A Ac Cyclopentanol OC1CCCC1 Tox21_200109 -NCGC00091902-08 196702064 tox21-ror-cho-viability-p1 set1 4 -1.73091218 -3.17870693 0.92605121 -1.5206166 -0.48860809 1.46306303 -4.39240689 -5.27821905 -2.00764306 1.81018499 -1.62738365 -3.32629429 -4.31092003 2.7958396 -5.17550141 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00091663-03 196702074 tox21-ror-cho-viability-p1 set1 4 34.3762428541 8.2389952041 -8.583342064 -0.3443468599 3.0654483358 0.3974640393 0.2762791935 -7.62818872 -8.32199297 -8.7842966 -3.61487119 -6.91701192 -6.81053613 -12.56945172 -12.09442988 -3.62077395 -6.87271047 -10.41168112 -11.7620204 -11.34924508 -1.64299098 -1.12028905 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00254398-01 196700012 tox21-ror-cho-viability-p1 set1 4 -0.26034613 0.62185907 -0.39944564 2.21779822 -0.56298894 1.36895022 -0.67013162 5.15788346 1.032343 0.05955763 0.25045249 1.5977391 -1.10077705 0.96884132 -2.28379113 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-01-8 995 144210890 A Phenanthrene c2cc3ccc1ccccc1c3cc2 Tox21_300573 -NCGC00254614-01 196699999 tox21-ror-cho-viability-p1 set1 4 4.8557733675 -6.7745879679 -0.5 -7.2745879679 4.9549173134 0.4737017361 0.2205737326 -3.51490792 0.56177164 -1.84401137 0.18959288 0.25680123 -0.30259842 -2.38635313 0.62245609 -0.34192351 0.61546364 0.03714833 -14.81215664 -1.85966643 -6.01129521 -3.00213692 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5234-68-4 21307 144211023 A A Carboxin O=C(Nc1ccccc1)C=2SCCOC=2C Tox21_300706 -NCGC00254884-01 196700001 tox21-ror-cho-viability-p1 set1 4 -4.85718099 -0.16597532 -7.43291925 -5.15584744 -5.30024597 -4.68920276 -2.93460365 -9.42466193 -10.45190732 -4.75534754 -4.60625973 -5.71910537 -6.9565548 -3.24220832 -13.8884823 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51218-45-2 4169 144211299 A A Metolachlor ClCC(=O)N(C(C)COC)c1c(C)cccc1CC Tox21_300982 -NCGC00254189-01 196700009 tox21-ror-cho-viability-p1 set1 4 -2.10363086 -1.00737704 1.12278916 -0.44224448 0.38801112 -0.55707777 0.16692753 -0.91810891 1.3391368 1.5192178 1.79461528 1.84621243 1.85869249 -0.60967319 3.51740089 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27178-16-1 33733 144210630 D Diisodecyl hexanedioate CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C Tox21_300310 -NCGC00255630-01 196700424 tox21-ror-cho-viability-p1 set1 4 0.19861202 0.4976344 0.39362462 1.6733564 1.79389543 0.99013439 2.73855907 1.88485046 2.11026938 10.93994279 0.95940586 2.00848487 1.51174607 4.07963785 8.30511645 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 20780-48-7 89385 144212250 A Bc 3,7-Dimethyloctan-3-yl acetate O=C(C)OC(C)(CCCC(C)C)CC Tox21_301933 -NCGC00257551-01 196700430 tox21-ror-cho-viability-p1 set1 4 0.5448267328 5.6412996 -4.1412996 1.5 4.9549173134 0.4733197604 0.2038684779 -1.4026057 -1.29866014 -10.951083 -1.16343649 -6.40239209 0.42379169 -7.96520794 -4.33255992 1.0769252 0.91161975 0.44786613 0.12986151 1.32092678 0.96442088 4.91486672 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 626-89-1 12296 144211609 A 4-Methylpentan-1-ol CC(C)CCCO Tox21_301292 -NCGC00256229-01 196700434 tox21-ror-cho-viability-p1 set1 4 1.7834965 2.44516496 1.506458 3.03514717 -1.29179436 0.96292295 2.74138505 1.92984407 3.09440096 3.85904751 -1.9999878 2.39980788 3.87412885 -0.67178968 3.28591848 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13047-13-7 92238 144212117 A C 4-(Hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one O=C1NN(CC1(C)CO)c2ccccc2 Tox21_301800 -NCGC00254482-01 196719797 tox21-ror-cho-viability-p1 set3 4 0.019331182 9.574833828 -0.574833828 9 4.9549173134 0.6326354373 0.0875882761 1.00614889 0.38095573 -2.97902819 0.26948275 8.25608986 7.45017445 14.08692775 11.2964522 11.89918118 11.82805127 5.54466934 7.24844994 11.6111168 0.95743974 0.6548673 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-87-3 1549026 144210673 A Ac Geranyl acetate C\C(C)=C\CCC(\C)=C\COC(C)=O Tox21_300355 -NCGC00257367-01 196719386 tox21-ror-cho-viability-p1 set2 4 -1.92310336 -0.16912641 -0.62904132 -4.07439866 -5.5655696 -5.42049535 -1.70991789 -3.59075983 0.2466812 -2.03705606 4.03363226 -3.0872415 -1.27316695 -7.94672261 -10.44417606 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 486-66-8 5281708 144213952 A A Daidzein Oc1ccc(cc1)C3=COc2cc(O)ccc2C3=O Tox21_303650 -NCGC00256926-01 196719389 tox21-ror-cho-viability-p1 set2 4 2.7306020303 4.1998374319 -0.1998374319 4 4.9549173134 0.5362001208 0.1497239946 -0.44349617 0.10992909 0.40032889 0.38086396 0.83000765 -1.31803953 -1.83319786 -0.3101537 0.3760255 -1.30379626 4.00440591 8.6266655 0.42850048 1.2685938 5.96087188 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-42-6 7016 144213045 A Ac 1,1'-Bi(cyclohexyl)-2-one O=C1CCCCC1C2CCCCC2 Tox21_302728 -NCGC00257002-01 196718550 tox21-ror-cho-viability-p1 set2 4 0.35195833 0.49664281 -0.32827293 3.59760858 -3.64562431 -5.29831696 -5.83198967 3.47902523 1.49439727 -0.900456 3.03160464 0.39781144 -4.01196817 -4.54688204 -2.79499914 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1241-94-7 14716 144213630 A A 2-Ethylhexyl diphenyl phosphate CCC(CCCC)COP(=O)(Oc1ccccc1)Oc2ccccc2 Tox21_303313 -NCGC00164164-02 196717720 tox21-ror-cho-viability-p1 set2 4 2.68177176 1.3056426 0.0216067 -1.2142421 -2.25402284 -0.65869145 -3.25600523 -3.27794278 -1.53659757 1.34038842 0.08810428 3.87134885 0.18136153 0.21853031 1.98551376 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00257270-01 196718133 tox21-ror-cho-viability-p1 set2 4 -0.91851764 0.84681693 0.82931205 2.64435302 -5.05568886 0.14429026 -4.69904657 -1.00495951 0.18725967 -0.74498147 -7.13289116 -2.27147488 -5.13065259 -0.01380856 4.26740939 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66-25-1 6184 144213659 F Hexanal CCCCCC=O Tox21_303342 -NCGC00256380-01 196718140 tox21-ror-cho-viability-p1 set2 -2.4 13.6854287769 -19.922305588 -2 -21.922305588 1.8851180601 0.9238705574 0.0000802749 -1.9307153 -1.73263484 -2.80135344 -3.54532659 -6.26731754 -2.35241952 0.42334602 -3.32851424 -2.17353596 0.25636492 0.43893297 -6.9246759 -15.80608051 -19.57665723 -20.76858799 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4548-53-2 5463878 144213172 Ac FD&C Red 4 [Na+].[Na+].Cc1cc(C)c(cc1S(=O)([O-])=O)/N=N/c3cc(c2ccccc2c3O)S([O-])(=O)=O Tox21_302855 -NCGC00256397-01 196718552 tox21-ror-cho-viability-p1 set2 4 -1.67297106 -2.46019395 -6.70559996 -3.65152466 -0.43134077 -1.43845228 -2.83850862 -2.67493769 1.72598413 -2.08882101 -3.35799012 -2.31692836 -1.435781 -1.23216666 -0.09868123 1.203E-9 2.6909999999E-9 6.0159999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 760-23-6 12971 144213131 Fns 3,4-Dichloro-1-butene C=CC(Cl)CCl Tox21_302814 -NCGC00257425-01 196718557 tox21-ror-cho-viability-p1 set2 4 61.130564862 -25.600846704 2 -23.600846704 2.3031167061 0.8977140946 0.000364323 0.04434011 0.74609867 0.95199862 0.89257618 1.50979323 4.22920491 3.67191543 4.1236322 1.0589472 -0.05428811 5.64886787 2.37692656 0.23281302 -5.18828872 -16.33403892 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17696-61-6 86607 144213885 A A sec-Butylparaben Oc1ccc(cc1)C(=O)OC(C)CC Tox21_303580 -NCGC00257203-01 196718953 tox21-ror-cho-viability-p1 set2 4 1.40254234 1.70714935 0.36062766 1.01883847 1.49524155 4.56688241 1.14715123 1.31516254 2.61545992 1.86311929 4.65566919 -0.30419972 -3.65150492 2.0782005 1.12855291 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 98-57-7 7395 144213498 A A 4-Chlorophenyl methyl sulfone O=S(C)(=O)c1ccc(Cl)cc1 Tox21_303181 -NCGC00256618-01 196718959 tox21-ror-cho-viability-p1 set2 -1.1 12.1971512362 -83.2102386605 -1.805241517 -85.0154801775 1.4641 0.988572059 1.8E-9 -1.35797895 -1.29897807 -1.53744988 -2.22806566 -0.10272878 -4.6084658 -0.06981459 -3.7432801 -3.08550437 -9.64039123 -8.86443234 -29.78887515 -62.84775698 -72.78817138 -77.28445468 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-80-6 8342 144213348 A Ac Dichlone O=C2c1ccccc1C(=O)C(Cl)=C2Cl Tox21_303031 -NCGC00256876-01 196718964 tox21-ror-cho-viability-p1 set2 -3 61.130564862 -47.324774028 1.5 -45.824774028 2.9022712143 0.9646884357 0.0000012229 1.20992851 -0.2206579 3.42972856 0.64838952 0.14815358 3.0688893 0.48027762 5.01265694 2.38404958 3.47448904 2.37329185 -2.18157816 -1.74511504 -9.33154767 -34.7157379 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 63449-68-3 62217 144212877 A A Naphthalen-2-yl 2-aminobenzoate Nc1ccccc1C(=O)Oc2ccc3ccccc3c2 Tox21_302560 -NCGC00254522-01 196719815 tox21-ror-cho-viability-p1 set3 4 10.54899097 6.8783928 7.41921094 5.69898594 9.49581534 -2.7662061 9.19695302 13.05862087 -4.7186629 -3.41610196 -3.57372392 1.98269527 8.79289947 7.21355585 4.96900209 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51-79-6 5641 144210812 A A Urethane NC(=O)OCC Tox21_300494 -NCGC00090686-07 196717242 tox21-ror-cho-viability-p1 set2 4 0.69312268 0.0803993 2.1306362 4.46954272 5.628718 5.42397275 6.12892275 3.9428965 0.8272534 -0.7899723 -0.04723956 0.00550627 0.09764409 0.00010123 4.14241338 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00258551-01 196716419 tox21-ror-cho-viability-p1 set2 4 -1.91736624 -0.83480707 -0.17498867 0.87733971 3.61202878 -0.00275491 -0.19154744 -0.09774336 -0.27682566 2.04823557 0.186187 -0.06851054 2.00484802 3.59586513 5.38585828 1.16E-9 2.595E-9 5.802E-9 1.297E-8 2.901E-8 6.487E-8 1.45E-7 3.2429999999E-7 7.252E-7 0.000001622 0.0000036259999999 0.000008108 0.000018129999999 0.000040539999999 0.00009065 NOCAS_21988 31370 144208196 A B 1-Chloro-2-propanol, technical grade (~75% 1-chloro-2-propanol; ~25% 2-chloro-1-propanol) CC(O)CCl Tox21_200998 -NCGC00163927-04 196716825 tox21-ror-cho-viability-p1 set2 4 0.6256317103 -7.012330448 3.5 -3.512330448 4.9549173134 0.7418705904 0.0222822029 1.62358393 1.60214989 0.55995638 3.47523209 2.60570595 5.6276801 6.26699455 7.17623782 -1.7394223 -2.48208926 -3.60506557 -1.90695566 -2.42071873 -3.16294028 -6.67694204 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00016660-06 196716830 tox21-ror-cho-viability-p1 set2 4 0.10578226 0.52052694 1.59191049 0.91937593 5.3771325 2.79541294 6.63525812 6.10700657 0.78343898 2.10486365 0.62130453 1.43484564 -0.7642414 -0.74073243 -1.57972371 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5728-52-9 3332 170465835 A Felbinac OC(=O)Cc1ccc(cc1)c2ccccc2 Tox21_110549_1 -NCGC00247713-01 196717259 tox21-ror-cho-viability-p1 set2 4 0.5982739913 -5.1738751481 5.5 0.3261248519 4.9549173134 0.5759409469 0.1164906301 2.77494017 2.84603608 3.06681329 3.12504078 7.23141862 7.1468663 9.32253639 7.87032424 1.14447457 1.3134412 3.09913248 -0.91364151 -0.03663769 0.10047039 -0.97822929 1.159E-9 2.592E-9 5.795E-9 1.2959999999E-8 2.898E-8 6.479E-8 1.449E-7 3.24E-7 7.244E-7 0.00000162 0.000003622 0.000008099 0.000018109999999 0.000040499999999 0.000090549999999 340-57-8 9567 144206423 A A Mecloqualone Clc1ccccc1N3C(C)=Nc2ccccc2C3=O Tox21_112870 -NCGC00253657-01 196717657 tox21-ror-cho-viability-p1 set2 4 0.26603212 -5.0679536079 3.5 -1.5679536079 4.9549173134 0.6321377851 0.0765572185 -0.02067872 2.3346365 2.95455912 2.60019774 4.97794512 5.72777455 2.71556919 5.8750119 -2.28579643 -0.20105105 -0.31762395 -0.44187496 -4.63996134 -0.26100191 -1.91752253 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66644-80-2 3017698 170466671 A A 2,3-Dimethoxy-5-sulphamoylbenzoic acid O=S(N)(=O)c1cc(c(OC)c(OC)c1)C(=O)O Tox21_113783 -NCGC00178860-06 196717669 tox21-ror-cho-viability-p1 set2 4 16.7854920005 -10.189149104 2.5 -7.689149104 0.7999999999 0.4885859299 0.1910006267 0.5551237 0.15307081 2.31831979 0.26678424 3.34333484 6.87239546 6.83304813 4.82676416 -0.92146087 -0.25628635 0.19895375 -0.36471945 -0.31231365 -1.75884399 -5.57429092 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1094-08-2 122824 170465065 A Ethopropazine hydrochloride Cl.CCN(CC)C(C)CN1c3ccccc3Sc2ccccc12 Tox21_110496_1 -NCGC00166086-03 196718076 tox21-ror-cho-viability-p1 set2 4 -1.32078736 -1.06890944 1.08291195 -0.18967014 1.26720996 -0.34186991 -1.49130756 -0.24195901 0.89305949 -2.43829406 -0.28232659 -1.46196999 -1.11906718 0.08981533 1.37413859 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 543-82-8 10982 170466573 F 2-Amino-6-methylheptane CC(C)CCCC(C)N Tox21_112309_1 -NCGC00091586-02 196718083 tox21-ror-cho-viability-p1 set2 4 57.8507107855 -15.288822508 -1 -16.288822508 1.9673362061 0.599781798 0.0981999415 -1.75335206 0.08455149 2.66296203 0.95564467 -2.1648304 -1.2586221 -4.43126337 0.18972478 -2.46082159 -5.78720456 -2.07742705 2.17675234 -4.11517399 -4.96981834 -11.90735209 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.042E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00257234-01 196718490 tox21-ror-cho-viability-p1 set2 4 -0.72441996 -2.0573633 -2.83846616 -1.66475885 -1.50316714 -1.15487023 1.77036493 -2.42483512 -1.22831469 -0.28747447 -2.31947467 -1.52627919 1.12627858 0.5938431 -0.61839773 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-17-5 8462 144213656 A Ac 1-Chloro-2-nitro-4-(trifluoromethyl)benzene O=[N+]([O-])c1cc(ccc1Cl)C(F)(F)F Tox21_303339 -NCGC00257498-01 196718507 tox21-ror-cho-viability-p1 set2 4 3.52417916 -5.19308586 1.32079581 1.80762692 0.15780401 -4.80246092 -7.36459792 -4.99543258 0.27122601 -5.46921534 3.55494273 2.0658013 -1.75444593 -0.92777084 -9.5805679 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 588941-45-1 59086459 144213669 A A PharmaGSID_48506 O=C(Nc1cnccn1)[C@H](CC2CCCC2)c3ccc(c(Cl)c3)S(C)(=O)=O Tox21_303352 -NCGC00256710-01 196718919 tox21-ror-cho-viability-p1 set2 4 -0.97579266 -9.41023794 -2.16021941 -3.24201517 -8.34366275 -5.83960408 -1.60367151 -1.46172171 -1.68417532 -6.25513222 0.99994339 -2.33901801 -1.90816527 -3.31109599 0.22589281 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 31501-11-8 5352543 144212943 A Ac (3Z)-Hex-3-en-1-yl hexanoate O=C(CCCCC)OCC/C=C\CC Tox21_302626 -NCGC00257906-01 196730267 tox21-ror-cho-viability-p1 set3 -3 69.2178691585 -46.2069018715 -2.0754265 -48.2823283715 4.0449729863 0.9124301182 0.0001648758 -3.06246262 -0.73458342 -5.72168454 3.04037987 -3.07971018 -3.5762001 -5.41173641 -5.25826789 2.15771909 -3.54943209 2.93586556 -1.13317763 -0.77290743 -7.23718062 -37.71388513 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.000092909999999 70-34-8 6264 144207550 A B 1-Fluoro-2,4-dinitrobenzene Fc1ccc(cc1[N+](=O)[O-])[N+]([O-])=O Tox21_200352 -NCGC00257861-01 196730272 tox21-ror-cho-viability-p1 set3 4 -13.98818862 2.32158528 -0.11609993 1.26345384 -3.91042181 -7.54364855 -6.89401526 -6.18403794 -1.70817986 -27.15402709 -1.9802091 0 -2.44635866 -0.2859958 3.34212114 1.1609999999E-9 2.595E-9 5.803E-9 1.298E-8 2.901E-8 6.488E-8 1.451E-7 3.244E-7 7.253E-7 0.000001622 0.0000036269999999 0.0000081099999999 0.000018129999999 0.000040549999999 0.00009067 2439-35-2 17111 144207505 A A 2-(Dimethylamino)ethyl acrylate CN(C)CCOC(=O)C=C Tox21_200307 -NCGC00258017-01 196729866 tox21-ror-cho-viability-p1 set3 4 -0.24984249 -9.39217111 -6.05809628 -2.38468455 -2.53254629 0.48590177 -2.59861611 0.1238312 -5.74910999 -3.17817209 0.54796904 0.21250569 -0.58949618 -0.37933098 -0.08185216 1.157E-9 2.586E-9 5.7829999999E-9 1.293E-8 2.892E-8 6.466E-8 1.446E-7 3.2329999999E-7 7.229E-7 0.000001616 0.000003615 0.000008082 0.000018069999999 0.000040409999999 0.00009036 14643-87-9 159747 144207661 A A Zinc diacrylate [Zn+2].C=CC(=O)[O-].[O-]C(=O)C=C Tox21_200463 -NCGC00257693-01 196730265 tox21-ror-cho-viability-p1 set3 4 -2.4137903 -0.33397601 0.09696303 0.87481163 1.86709374 -0.39784771 0.88656234 2.18239273 2.23920463 4.5297167 4.26987416 2.15576892 0.33391495 -3.17299212 0.86756029 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.468E-7 3.2829999999E-7 7.3419999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.00001835 0.00004104 0.00009177 505-32-8 10453 144207337 A B Isophytol CC(C)CCCC(C)CCCC(C)CCCC(C)(O)C=C Tox21_200139 -NCGC00258297-01 196730277 tox21-ror-cho-viability-p1 set3 4 30.8560878831 -9.9061382119 0.5 -9.4061382119 4.0949729863 0.9469195654 0.0000121084 1.42734123 1.3667413 0.12067141 0.91168098 0.02759985 -0.07115017 0.77710392 -0.32640277 0.24013613 -0.63287291 2.05741971 0.04727086 -0.70669861 -7.0783874 -9.08844851 1.187E-9 2.6549999999E-9 5.936E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.3189999999E-7 7.42E-7 0.000001659 0.0000037099999999 0.0000082959999999 0.00001855 0.000041479999999 0.00009276 97-32-5 7331 144207941 A A 4-Methoxy-3-nitro-N-phenylbenzamide COc1ccc(cc1[N+]([O-])=O)C(=O)Nc2ccccc2 Tox21_200743 -NCGC00258040-01 196730280 tox21-ror-cho-viability-p1 set3 4 67.892692775 -14.794990344 -2 -16.794990344 1.4641 0.7122418794 0.0335237832 -4.32163391 -1.32348637 -3.23160597 0.01029673 -3.35759981 0.05395395 -3.99915838 -2.38548889 -0.24488155 -0.72072752 -0.01219501 -1.37580598 -5.91215059 -4.79677953 -12.32915862 1.1699999999E-9 2.615E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.538E-8 1.462E-7 3.269E-7 7.31E-7 0.000001635 0.0000036549999999 0.000008173 0.00001828 0.000040869999999 0.00009138 6109-97-3 62130 144207684 A B 3-Amino-9-ethylcarbazole hydrochloride Cl.Nc2cc3c1ccccc1n(CC)c3cc2 Tox21_200486 -NCGC00258048-01 196730281 tox21-ror-cho-viability-p1 set3 -1.2 2.237551149 -41.0935544727 -0.2104467209 -41.3040011936 2.1210667061 0.9781187045 7.98E-8 0.92953562 0.42096445 -0.11689589 -2.11058305 1.21819153 -0.86810032 -0.63690135 -0.02657803 -6.99954848 -11.41390833 -35.52297642 -33.4781714 -38.62183579 -41.50354307 -45.88627568 1.211E-9 2.707E-9 6.054E-9 1.3539999999E-8 3.027E-8 6.7689999999E-8 1.514E-7 3.3839999999E-7 7.568E-7 0.0000016919999999 0.0000037839999999 0.0000084609999999 0.00001892 0.0000423 0.00009459 39156-41-7 38221 144207692 BC F 2,4-Diaminoanisole sulfate Nc1cc(N)ccc1OC.O=S(=O)(O)O Tox21_200494 -NCGC00258631-01 196730286 tox21-ror-cho-viability-p1 set3 4 -5.5707586 -2.03307915 -4.22964369 -4.63757833 -3.94718951 -0.95972958 -0.55103618 -2.89432053 -1.79688534 -1.72938647 -4.25568565 2.85719118 -5.55558125 1.17352673 2.70425458 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.3169999999E-8 2.9459999999E-8 6.587E-8 1.4729999999E-7 3.2929999999E-7 7.364E-7 0.0000016469999999 0.0000036819999999 0.000008234 0.000018409999999 0.00004117 0.00009206 616-91-1 12035 144208276 A A N-Acetyl-L-cysteine CC(=O)N[C@@H](CS)C(O)=O Tox21_201078 -NCGC00090773-04 196730289 tox21-ror-cho-viability-p1 set3 4 -1.10953414 1.50017344 -4.49298224 -1.82344327 2.41248918 -4.76154423 1.34242032 -2.54973909 -3.85028728 1.35438496 2.10389385 -15.66668307 8.0537527 6.54419509 0.61838232 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00255429-01 196700445 tox21-ror-cho-viability-p1 set1 4 12.8416246855 -19.3799786839 -2 -21.3799786839 1.8616924601 0.7602917194 0.0166259618 0.20892172 -3.36561362 -3.10175042 0.54214776 0.36214632 -4.94966451 -3.44403286 -3.85268422 -8.95336703 2.96906217 -0.1028037 -4.97841709 -7.47060697 -13.32632693 -19.48331557 4.719E-10 1.055E-9 2.359E-9 5.276E-9 1.18E-8 2.638E-8 5.899E-8 1.3189999999E-7 2.949E-7 6.595E-7 0.000001475 0.000003297 0.0000073729999999 0.000016489999999 0.00003687 26027-38-3 24773 144212450 F F Nonoxynol CCCCCCCCCc1ccc(OCCOCCO)cc1 Tox21_302133 -NCGC00255592-01 196700452 tox21-ror-cho-viability-p1 set1 4 1.60240891 0.00524839 3.76367927 -0.78840256 0.18911153 -2.12923738 1.13310763 2.02311586 5.04788098 3.65813487 3.04454641 2.51826317 2.58049249 5.02627918 7.09526093 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22936-75-0 31573 144212540 A A Dimethametryn CSc1nc(NCC)nc(NC(C)C(C)C)n1 Tox21_302223 -NCGC00255146-01 196700440 tox21-ror-cho-viability-p1 set1 4 -0.1134139 0.00243755 0.95656729 0.21200395 1.60894888 1.76835153 -7.21078437 -0.96621801 -1.43565085 1.97190232 5.73864916 -0.76035847 -4.54240871 -0.22752014 2.08721974 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26447-10-9 22833320 144212706 F Ammonium xylene sulfonate [NH4+].Cc1c(C)cccc1S(=O)([O-])=O Tox21_302389 -NCGC00255474-01 196700444 tox21-ror-cho-viability-p1 set1 4 0.6113056486 -13.872955964 1 -12.872955964 1.692447691 0.8154001658 0.0056773792 0.08865862 0.86014812 3.57548752 -7.1778348 3.48323938 2.79616608 3.02400482 -5.50396538 -5.74292323 -11.15896406 -10.42780725 -11.57489442 -13.0303979 -16.14412997 -11.02751448 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60397-77-5 92363 144211759 A A N-(2,4-Dimethylphenyl)formamide O=CNc1ccc(C)cc1C Tox21_301442 -NCGC00256219-01 196700854 tox21-ror-cho-viability-p1 set1 4 -3.12797632 -3.30740902 -1.54316216 -0.47028686 -1.54393147 -2.60001851 -0.20366338 -1.52652807 0.73115818 1.29066432 -3.60829759 0.03382196 -4.0761969 1.01245404 1.79518889 9.969E-10 2.229E-9 4.9839999999E-9 1.1149999999E-8 2.492E-8 5.573E-8 1.246E-7 2.786E-7 6.23E-7 0.000001393 0.000003115 0.000006966 0.00001558 0.00003483 0.000077879999999 306-91-2 78972 144212608 F Tetracosafluorotetradecahydrophenanthrene FC2(F)C3(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C3(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C2(F)F Tox21_302291 -NCGC00255905-01 196700867 tox21-ror-cho-viability-p1 set1 -2.4 61.130564862 -37.7439054759 1.5 -36.2439054759 2.5884283767 0.9486874233 0.0000097367 0.54468278 -0.64116131 -1.16323612 2.94288571 4.98386341 0.14359773 1.11952959 0.97795505 2.54108063 1.36723908 4.09477811 -0.70760904 -0.83194616 -7.74957946 -26.86992123 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-89-6 2735045 144211528 Fns Potassium ethyl xanthate [K+].[S-]C(=S)OCC Tox21_301211 -NCGC00256266-01 196700869 tox21-ror-cho-viability-p1 set1 4 -3.27084112 1.10353292 -0.03891845 -0.18224558 1.88654218 0.50350105 0.24900029 1.50300673 1.80870069 -0.16086143 3.3239166 0.1019845 0.9611627 0.24916986 2.03362576 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17252-51-6 87019 144211949 A A 4,4'-Propane-1,3-diyldipyridine C(CCc1ccncc1)c2ccncc2 Tox21_301632 -NCGC00255520-01 196700874 tox21-ror-cho-viability-p1 set1 4 0.13868035 -5.57076173 0.74418342 0 0.74597498 -7.0946634 -5.24760164 -4.61482585 -0.01844879 -3.61375819 -0.04681078 -1.41329983 0.79010209 0.63462006 2.51027516 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 494-52-0 205586 144212269 A A L-3-(2'-Piperidyl)pyridine n1cc(ccc1)[C@@H]2CCCCN2 Tox21_301952 -NCGC00256161-01 196701270 tox21-ror-cho-viability-p1 set1 -1.1 24.3365162115 -84.7166480428 -2.139607991 -86.8562560338 3.2474983358 0.9887642822 1.6E-9 0.72489586 0 1.24288772 0.29173628 -4.49321993 0.39048655 -5.33285217 -6.13115056 -4.99304453 0.4677826 -8.19729999 -5.09333458 -26.6071249 -74.77209936 -85.15319219 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-74-3 6610 144212084 A F 2,5-Bis(2-methylbutan-2-yl)benzene-1,4-diol Oc1cc(c(O)cc1C(C)(C)CC)C(C)(C)CC Tox21_301767 -NCGC00255117-01 196701275 tox21-ror-cho-viability-p1 set1 4 0.06598867 -0.44631159 -2.44211026 -4.72593713 -2.55365723 -3.43682308 -1.62417961 -0.08807263 -4.18502218 -8.76662144 -0.51111259 3.40308874 1.05908853 -1.03745527 -1.98617114 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7647-10-1 24290 144211683 Palladium(II) chloride Cl[Pd]Cl Tox21_301366 -NCGC00164168-02 196701282 tox21-ror-cho-viability-p1 set1 4 -2.11063872 6.26798264 5.62570125 0.32721081 -0.7404689 3.74883326 -2.88950524 1.87857472 3.63804231 0.64719202 -1.45587739 1.11477501 2.42832153 6.19053594 6.30455808 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00255826-01 196701285 tox21-ror-cho-viability-p1 set1 4 1.80860279 -0.64380246 1.09139319 -8.69511718 8.52823913 4.66913812 1.05166832 0.83752994 3.27862005 -4.72407972 1.11069405 1.89787665 -1.35904784 1.04903408 5.72581151 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80443-63-6 94684 144211856 A A 2-(2-(4-Chlorophenyl)ethyl)-2-(1,1-dimethylethyl)oxirane CC(C)(C)C2(CCc1ccc(Cl)cc1)CO2 Tox21_301539 -NCGC00090701-06 196720680 tox21-ror-cho-viability-p1 set3 4 0.0043277126 15.762800084 -14.762800084 1 0.5 0.6081145889 0.1056107773 -8.61977561 -11.46900007 -2.45806511 -0.89297722 -8.50149458 -4.78477903 -0.59918568 0.42797802 2.17369082 1.52365246 1.70203357 0.19586411 -2.44995069 0.49068318 -3.97352237 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00253974-01 196720689 tox21-ror-cho-viability-p1 set3 4 -1.90841443 -10.04927553 -2.92078629 -0.78394541 -0.90303238 2.60452116 2.86612101 -8.05583559 3.16016846 4.0076806 -7.80400159 -8.33965048 -7.58967789 -3.01857051 -14.65348788 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2921-88-2 2730 144210468 B C Chlorpyrifos Clc1cc(Cl)c(Cl)nc1OP(=S)(OCC)OCC Tox21_300148 -NCGC00254900-01 196720668 tox21-ror-cho-viability-p1 set3 4 0.002730602 15.347916428 -17.347916428 -2 0.9999999999 0.5064704195 0.1902455756 -10.27100094 -16.12326369 -2.62378262 -1.40210258 -6.77774626 -2.39164065 0.53418067 -4.14923606 0.0529259 -0.94089893 -3.33255461 -1.58598903 -4.08595345 -6.48350263 -6.74064636 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 298-00-0 4130 144211315 C Methyl parathion S=P(Oc1ccc(cc1)[N+]([O-])=O)(OC)OC Tox21_300998 -NCGC00254339-01 196720670 tox21-ror-cho-viability-p1 set3 -1.2 9.6885416101 -43.9506600618 -6.442972719 -50.3936327808 2.2526478767 0.9447386637 0.0000144957 -11.39724348 -13.08404623 -3.60683421 -1.71012361 -8.28760482 -7.81528744 -4.59419162 -2.51812456 -4.09249291 -7.32332135 -13.44268257 -22.72627391 -43.07648719 -55.61836748 -43.57225703 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 643-79-8 4807 144210722 CC D 1,2-Benzenedicarboxaldehyde O=Cc1ccccc1C=O Tox21_300404 -NCGC00259966-01 196721083 tox21-ror-cho-viability-p1 set3 4 26.5027163452 9.0557959639 -3.0557959639 6 4.9549173134 0.5707735092 0.1198841185 -7.12982997 -5.91167479 -2.12090448 2.65918462 -3.54312511 -2.0607792 -1.31022407 -5.79938052 -1.40640245 -1.97318908 -5.03414312 -3.15729189 -4.8656567 7.07006391 4.109919 1.1509999999E-9 2.5739999999E-9 5.757E-9 1.2869999999E-8 2.878E-8 6.436E-8 1.4389999999E-7 3.218E-7 7.196E-7 0.000001609 0.0000035979999999 0.000008045 0.00001799 0.000040229999999 0.00008995 108-46-3 5054 144209615 A A Resorcinol Oc1cccc(O)c1 Tox21_202417 -NCGC00259398-01 196721477 tox21-ror-cho-viability-p1 set3 4 11.75512269 12.83031679 9.39008101 16.49642791 12.37338272 9.65948772 12.23429637 12.04722896 6.43167782 0.22209925 4.72288734 9.48540832 8.86635149 11.32650811 8.54870391 1.183E-9 2.645E-9 5.913E-9 1.322E-8 2.9569999999E-8 6.611E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.0000082639999999 0.00001848 0.00004132 0.0000924 123-77-3 31269 144209047 A Azodicarbonamide NC(=O)/N=N/C(N)=O Tox21_201849 -NCGC00258844-01 196721479 tox21-ror-cho-viability-p1 set3 4 47.8672260671 13.4223068519 -6.9223068519 6.5 2.9522712143 0.371796797 0.299584626 -10.84003419 -6.12876738 -7.50981505 4.33703292 -13.68525571 -10.32961474 -5.54264979 -6.81932319 -10.07303368 -2.80667335 -6.64999452 -5.22968498 -4.6898245 -2.3189835 4.99927268 1.166E-9 2.6069999999E-9 5.83E-9 1.304E-8 2.9149999999E-8 6.5189999999E-8 1.458E-7 3.259E-7 7.288E-7 0.0000016299999999 0.0000036439999999 0.0000081479999999 0.00001822 0.00004074 0.000091099999999 119-93-7 8413 144208490 A A 3,3'-Dimethylbenzidine Cc1cc(ccc1N)c2ccc(N)c(C)c2 Tox21_201292 -NCGC00258794-01 196721482 tox21-ror-cho-viability-p1 set3 4 8.6261412682 6.007235264 -4.507235264 1.5 4.4494702849 0.3615777495 0.3102438003 -9.51293079 -10.83936272 0.08173667 1.77665411 -2.00617458 -2.89120773 -6.47679847 -8.41284233 -4.43582326 -3.42071796 -5.98009553 -1.84265945 1.66996053 1.84637678 0.56116618 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.295E-7 7.367E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.000041179999999 0.00009209 96-17-3 7284 144208440 FNS 2-Methylbutanal CC(CC)C=O Tox21_201242 -NCGC00258865-01 196721487 tox21-ror-cho-viability-p1 set3 4 31.1682903204 15.017741204 -8.017741204 7 1.78848746 0.5764380946 0.1147783441 -12.62404307 -11.29755908 -7.3420754 -2.03549297 -9.28122227 -2.69750226 -6.19600395 -13.34811767 -11.73658032 -3.18132256 -5.2790133 -6.63378339 -4.46681093 1.39080249 6.04963103 1.197E-9 2.677E-9 5.986E-9 1.338E-8 2.993E-8 6.6919999999E-8 1.496E-7 3.346E-7 7.482E-7 0.000001673 0.000003741 0.000008366 0.00001871 0.00004183 0.00009353 98-87-3 7411 144208511 A D Benzal chloride ClC(Cl)c1ccccc1 Tox21_201313 -NCGC00091146-04 196721489 tox21-ror-cho-viability-p1 set3 4 12.1971512362 -17.3913740639 -0.5 -17.8913740639 2.2526478767 0.9247676678 0.0000755315 -1.79316796 3.57360949 -1.31838058 -1.73015723 -1.13341308 -1.123523 -0.05243899 0.3226313 -2.00738372 0.29095047 -0.8204588 -2.32452587 -15.89463058 -16.99281172 -16.35449161 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00259250-01 196721492 tox21-ror-cho-viability-p1 set3 4 38.5707788719 10.8729215319 -2.8729215319 8 2.7202212143 0.3823375098 0.2897366741 -0.58016825 -4.78834537 -2.72435339 7.52394903 -0.03795353 -5.17907826 -0.30121269 -6.97743461 -5.40153978 -3.81275444 -5.96961846 -3.0577167 -5.7725843 5.46268264 6.45182734 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.000003688 0.000008248 0.00001844 0.00004124 0.000092209999999 111-42-2 8113 144208899 A A Diethanolamine OCCNCCO Tox21_201701 -NCGC00259937-01 196721496 tox21-ror-cho-viability-p1 set3 2.4 71.791287895 30.4602289399 -4.9602289399 25.5 4.9549173134 0.865062775 0.0013826493 -6.82098671 -6.09986643 -2.79503069 3.41167739 -7.65962516 -6.28036601 -6.31582884 -3.37604873 -5.71863507 -3.686287 -4.93095887 -8.71685745 -7.52434465 -0.00333051 23.0655847 1.485E-9 3.3199999999E-9 7.424E-9 1.66E-8 3.712E-8 8.301E-8 1.8559999999E-7 4.1499999999E-7 9.28E-7 0.000002075 0.00000464 0.00001038 0.000023199999999 0.00005188 0.000116 2386-87-0 16949 144209586 I Cc UT-632 O=C(OCC1CC2OC2CC1)C3CCC4OC4C3 Tox21_202388 -NCGC00258302-01 196716018 tox21-ror-cho-viability-p1 set2 4 4.53233466 6.84047006 1.64984363 3.05253861 2.06165873 4.82021323 4.34876351 0.02127076 -0.24229921 0.17425718 2.74902992 3.78912043 0.36370079 5.73380745 3.51903991 1.155E-9 2.582E-9 5.7739999999E-9 1.291E-8 2.887E-8 6.4549999999E-8 1.443E-7 3.2279999999E-7 7.217E-7 0.000001614 0.0000036089999999 0.000008069 0.000018039999999 0.00004035 0.00009022 23783-42-8 90263 144207946 A A 2,5,8,11-Tetraoxatridecan-13-ol COCCOCCOCCOCCO Tox21_200748 -NCGC00258088-01 196715611 tox21-ror-cho-viability-p1 set2 4 2.37219597 0.62763449 1.68191389 1.91912272 -0.03277856 2.01032896 1.11771677 0.77996852 3.89444937 1.12912262 2.11858015 0.31952646 1.65390123 1.80535743 -0.91268075 1.182E-9 2.6429999999E-9 5.9109999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.304E-7 7.3889999999E-7 0.0000016519999999 0.0000036939999999 0.000008261 0.000018469999999 0.000041299999999 0.000092359999999 141-82-2 867 144207732 FNS Propanedioic acid O=C(O)CC(=O)O Tox21_200534 -NCGC00257951-01 196715621 tox21-ror-cho-viability-p1 set2 -2.1 12.2343723386 -85.9066588619 -3.562202838 -89.4688616999 0.6999999999 0.9760888478 1.329E-7 -6.06645594 -3.55873236 -3.34051738 1.06464363 -9.43930993 -3.33078801 -5.43589636 -7.35613739 -19.31419223 -23.34828271 -30.06730109 -31.87801206 -55.9311155 -63.62162388 -74.55738475 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3079999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.000008269 0.000018489999999 0.00004135 0.00009245 316-42-7 3068143 144207595 D Emetine dihydrochloride Cl.Cl.COc4cc5CCN[C@H](C[C@H]1C[C@H]2c3cc(OC)c(OC)cc3CCN2C[C@@H]1CC)c5cc4OC Tox21_200397 -NCGC00257845-01 196716013 tox21-ror-cho-viability-p1 set2 2.4 38.492343126 36.2448925719 -3.7448925719 32.5 2.4063783767 0.9127064917 0.0001622281 1.87073389 -5.27197905 1.25419144 -4.48775125 -1.76342076 -1.19091231 -3.53231963 -5.40163724 -5.62074381 -5.04211081 -4.81379138 -4.72686213 -3.49579354 18.54537529 27.72189251 1.1779999999E-9 2.635E-9 5.891E-9 1.3169999999E-8 2.9459999999E-8 6.587E-8 1.4729999999E-7 3.2929999999E-7 7.364E-7 0.0000016469999999 0.0000036819999999 0.000008233 0.000018409999999 0.00004117 0.000092049999999 130-26-7 2788 144207489 A A Clioquinol Oc1c(I)cc(Cl)c2cccnc12 Tox21_200291 -NCGC00257769-01 196716035 tox21-ror-cho-viability-p1 set2 4 -0.96781354 -0.18037698 -0.09458844 2.85262879 0.38988254 1.35487506 1.57188073 -0.31293085 -0.38713068 -1.5128848 0.48450126 -2.67837772 0.41626277 3.65772259 -0.03138793 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 638-03-9 522105 144207413 A B 3-Methylaniline hydrochloride Cl.Cc1cc(N)ccc1 Tox21_200215 -NCGC00257745-01 196716432 tox21-ror-cho-viability-p1 set2 -2.2 29.8916164478 -32.883244472 2 -30.883244472 2.3031167061 0.9689943195 5.87E-7 1.12504417 1.83131097 4.22226756 5.52043588 2.34560364 1.40064728 0.7835134 1.86811181 1.23729725 -0.49088921 -0.26414973 1.9760318 -7.76683218 -19.2715609 -30.73603706 1.156E-9 2.585E-9 5.781E-9 1.293E-8 2.8899999999E-8 6.463E-8 1.4449999999E-7 3.231E-7 7.226E-7 0.000001616 0.000003613 0.000008079 0.000018059999999 0.00004039 0.000090319999999 99-98-9 7472 144207389 B N,N-Dimethyl-p-phenylenediamine Nc1ccc(cc1)N(C)C Tox21_200191 -NCGC00091426-02 196716448 tox21-ror-cho-viability-p1 set2 4 43.2771256911 -8.5122273599 0.5 -8.0122273599 2.7202212143 0.5760746598 0.1171407236 6.14910003 -0.60788128 -0.06294297 1.33774716 -2.04727108 0.38273654 0.55756964 0.71579762 -0.3532256 1.5448353 -1.91816491 0.28744061 0.17612905 -3.63043413 -7.0935228 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00258484-01 196716452 tox21-ror-cho-viability-p1 set2 4 -2.66013975 -4.90957709 -6.40431945 -0.3067787 -5.08168196 -3.38307523 -0.11896751 -0.39178203 -4.06093914 0.16485256 -1.19399513 -0.40997285 -0.41540137 -0.44664296 -4.49890511 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.976E-8 6.656E-8 1.4879999999E-7 3.3279999999E-7 7.441E-7 0.0000016639999999 0.000003721 0.000008319 0.0000186 0.0000416 0.00009301 1641-17-4 71645 144208128 A A Mexenone O=C(c1ccc(cc1O)OC)c2ccc(C)cc2 Tox21_200930 -NCGC00247694-01 196716849 tox21-ror-cho-viability-p1 set2 4 -6.77364322 -4.83553377 -9.07983097 -2.48449136 -2.87519966 -1.91246867 -1.19252361 -5.51404085 -11.31604147 -12.48831464 -3.44336995 -3.80641129 -10.61495342 -12.12059179 -8.07477926 1.315E-9 2.941E-9 6.577E-9 1.471E-8 3.288E-8 7.353E-8 1.644E-7 3.677E-7 8.221E-7 0.000001838 0.0000041109999999 0.000009192 0.00002055 0.00004596 0.00010279999999 117332-94-2 60196322 144206397 A A N-[1-[1-Methyl-2-(2-thienyl)ethyl]-4-piperidyl]-N-phenylpropanamide hydrochloride Cl.CCC(=O)N(c1ccccc1)C2CCN(CC2)C(C)Cc3cccs3 Tox21_112844 -NCGC00255078-01 196714400 tox21-ror-cho-viability-p1 set2 4 -2.84265734 -1.25437554 -0.8280758 0.66932776 -1.01699999 -2.37107536 0.60298887 -0.18274638 -1.05013152 0.52178129 0.43733822 6.20734548 1.14544354 4.46987536 4.46435719 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 110-38-3 8048 144211497 A F Ethyl decanoate O=C(CCCCCCCCC)OCC Tox21_301180 -NCGC00254323-01 196714377 tox21-ror-cho-viability-p1 set2 4 -2.05701911 -7.17930138 -1.14846383 -6.21453115 -5.1177782 -4.47254772 -13.26344224 -4.76625716 -5.32918326 -5.10704968 -8.72452596 -0.35206957 -2.23600096 -6.69434392 -0.13208573 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-49-2 8189 144210827 A Triethylene glycol dimethyl ether COCCOCCOCCOC Tox21_300509 -NCGC00254063-01 196714379 tox21-ror-cho-viability-p1 set2 4 1.3838591 -0.21628787 3.68638954 -0.57888503 3.72140936 2.45554156 2.48897243 -1.58912887 2.18696865 0.13427542 3.01848313 0.18930399 2.62980416 -2.05213015 2.03349335 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-54-8 54675776 144210470 F F Tetracycline NC(=O)C1=C(O)[C@@H](N(C)C)[C@@H]2C[C@H]4C(=C(O)[C@]2(O)C1=O)C(=O)c3c(O)cccc3[C@@]4(C)O Tox21_300150 -NCGC00260108-01 196724465 tox21-ror-cho-viability-p1 set3 4 -1.94913312 -2.15148672 5.93185204 1.27595504 5.63512202 -3.89006144 5.28872298 -3.24949741 -6.10819329 4.46343799 1.89531965 -2.48433038 -2.71255097 -2.61244642 2.77675796 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.679E-8 1.493E-7 3.3389999999E-7 7.467E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004174 0.00009334 638-65-3 12532 144209757 F Fc Octadecanenitrile CCCCCCCCCCCCCCCCCC#N Tox21_202559 -NCGC00249921-01 196725810 tox21-ror-cho-viability-p1 set3 4 16.7854920005 29.475962008 2.524037992 32 0.7999999999 0.6679151113 0.0539456458 3.44447756 2.1991784 5.91731026 3.86671294 1.16884679 -1.22996834 4.14116894 7.23152302 7.51483025 15.72098217 4.65858724 1.30292076 11.7464157 21.73590074 24.79583595 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 74512-12-2 3033988 170465847 A A Omoconazole C\C(=C(\OCCOc1ccc(Cl)cc1)c2ccc(Cl)cc2Cl)n3ccnc3 Tox21_113697 -NCGC00015966-10 196725797 tox21-ror-cho-viability-p1 set3 4 7.21853711 3.88695302 3.6549197 0.43958779 -2.52286597 0.08390029 4.11607167 -2.51262068 1.77789185 -6.75211199 6.6590756 -0.71661394 0.05254558 7.37805743 3.19499868 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23672-07-3 688272 170465834 I Levosulpiride CCN2CCC[C@H]2CNC(=O)c1cc(ccc1OC)S(N)(=O)=O Tox21_110933_1 -NCGC00253678-01 196725803 tox21-ror-cho-viability-p1 set3 4 0.0105909295 -4.116634876 4.5 0.383365124 4.9549173134 0.3893975248 0.2854349686 6.07563534 2.36440561 2.99453304 7.02535394 0.0190272 -0.21397009 6.44073989 -3.84719573 -1.72489295 -0.6633634 0.44259895 -0.35215216 1.44594547 1.68699685 0.01257723 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64920-29-2 562087 170466749 F B Ethyl 2-oxo-4-phenylbutyrate O=C(OCC)C(=O)CCc1ccccc1 Tox21_113802 -NCGC00090789-02 196725805 tox21-ror-cho-viability-p1 set3 4 -2.65395636 -4.95265988 -0.45804169 1.98271565 0.65374503 -2.88346614 -3.67241968 -0.88158885 -6.6212038 -5.82345909 -2.88467508 -2.04319279 -0.98810283 -0.23367377 2.8711846 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00274271-01 196726218 tox21-ror-cho-viability-p1 set3 4 -1.57241078 -0.47957696 -9.66832379 -1.21134554 -0.57816338 3.2005254 -5.33613309 -0.84670892 -2.50072203 16.32827289 -4.83987122 6.40634683 5.79503406 4.288916 2.92239672 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79-64-1 6607 170465914 A A Dimethisteron C[C@H]3C[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@@]1(O)C#CC)[C@@]4(C)CCC(=O)C=C34 Tox21_113973 -NCGC00344555-01 196726226 tox21-ror-cho-viability-p1 set3 -2.2 23.7101376556 -56.6551866245 -2.721222529 -59.3764091535 3.0654483358 0.9015099034 0.0002982594 -7.20823997 -11.95158597 3.55507425 -8.38345537 -2.25285945 -7.59687658 -4.44811217 2.31324078 -1.10644329 -2.73959733 -0.81666391 3.89676381 -5.02745578 -23.99325625 -53.31546148 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 466-06-8 5284613 170465956 A Proscillaridin O=C1C=CC(=CO1)[C@H]6CC[C@@]5(O)[C@]6(C)CC[C@H]3[C@H]5CCC2=C[C@H](CC[C@@]23C)O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O Tox21_110442_1 -NCGC00258394-01 196702527 tox21-ror-cho-viability-p1 set1 4 0.89189406 -0.09516635 -1.57953907 -1.23585031 1.10583158 8.12258457 1.36443022 -1.18925414 -0.24431164 -1.28299825 0.44297912 2.69584946 2.59818283 1.54225411 3.39494417 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.961E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008275 0.0000185 0.00004138 0.000092519999999 542-88-1 10967 144208038 A A Bis(chloromethyl) ether ClCOCCl Tox21_200840 -NCGC00258220-01 196702519 tox21-ror-cho-viability-p1 set1 4 -8.47598228 -10.25615913 -7.01205638 -3.58307702 -7.08894226 0.70002797 -9.22873605 -5.72054475 -4.47875803 -10.83795671 -9.69534334 -8.19698139 -9.04741383 -6.73228071 -4.88907843 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3069999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.000008269 0.000018489999999 0.00004134 0.00009245 553-53-7 11112 144207864 A A Nicotinic acid hydrazide O=C(NN)c1cccnc1 Tox21_200666 -NCGC00258624-01 196702523 tox21-ror-cho-viability-p1 set1 4 9.23571893 1.24421211 1.23108421 -0.64092864 1.82604199 1.79754894 1.67418207 2.89450753 5.87853221 5.48603069 3.11922802 -5.54283946 0.33383304 3.22701258 3.97116068 1.1989999999E-9 2.68E-9 5.9929999999E-9 1.34E-8 2.9969999999E-8 6.701E-8 1.4979999999E-7 3.35E-7 7.492E-7 0.000001675 0.000003746 0.0000083759999999 0.00001873 0.00004188 0.00009365 123-38-6 527 144208269 FNS Propanal CCC=O Tox21_201071 -NCGC00258652-01 196702526 tox21-ror-cho-viability-p1 set1 4 0.29288164 -5.5196318 -0.22260463 -1.80140981 0.84655974 -1.78653045 -0.09852378 -0.56192236 -1.03444723 -0.719278 0.92104402 -0.61014818 1.40978832 1.60964631 1.58883415 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 654058-04-5 16069365 144208298 A A 1,3-Dimethylimidazolium dimethyl phosphate C[n+]1ccn(C)c1.[O-]P(=O)(OC)OC Tox21_201100 -NCGC00092376-06 196723299 tox21-ror-cho-viability-p1 set3 4 14.9600854925 -25.7135042679 -4 -29.7135042679 1.0999999999 0.55909996 0.1279513162 -3.06829671 -0.46984969 -19.52695428 1.71053524 -11.71002144 0 -5.87238215 0 0.0826095 -6.9276218 -5.88166329 -9.22003011 -14.41128499 -17.74099778 -24.34458689 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 78416-81-6 3060974 170466118 A Trequinsin hydrochloride Cl.Cc4cc(C)cc(C)c4\N=C2/C=C1c3cc(OC)c(OC)cc3CCN1C(=O)N2C Tox21_111279_1 -NCGC00241097-03 196722887 tox21-ror-cho-viability-p1 set3 4 2.6603212004 -5.0604308679 0 -5.0604308679 4.9549173134 0.4696000503 0.2087856447 -0.13682638 1.14629604 -0.25812843 0.1657333 -0.2812415 -0.50824682 1.50736577 -1.73711999 -5.09530235 3.56864095 2.07594465 -6.93624461 -2.90493306 -2.53184369 -7.13369239 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 387867-13-2 3038522 170466826 A Tandutinib CC(C)Oc1ccc(cc1)NC(=O)N2CCN(CC2)c5ncnc4cc(OCCCN3CCCCC3)c(OC)cc45 Tox21_113366_1 -NCGC00160662-02 196722896 tox21-ror-cho-viability-p1 set3 4 0.26603212 -17.4494977719 7.5 -9.9494977719 4.9549173134 0.6232046481 0.0806993301 5.88881977 -2.33308881 13.22058014 13.70712628 -3.91224491 9.96241949 14.41442741 9.13803631 -8.66176191 -15.5635673 -14.88255946 2.06568026 -16.20791481 -11.78080178 -2.77709903 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 177036-94-1 6918493 170465143 A Ambrisentan O=C(O)[C@@H](Oc1nc(C)cc(C)n1)C(OC)(c2ccccc2)c3ccccc3 Tox21_111967_1 -NCGC00253714-01 196723294 tox21-ror-cho-viability-p1 set3 4 3.2222495 0.61083278 -0.31921966 3.41798608 1.7494317 3.06304738 2.43960199 1.84893402 -1.17348411 4.92764698 7.32388952 -1.82218477 6.17705571 4.34969653 0.54817955 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5588-21-6 6154037 170466163 A I Cintriamide COc1c(cc(cc1OC)/C=C/C(N)=O)OC Tox21_113833 -NCGC00015443-17 196723305 tox21-ror-cho-viability-p1 set3 4 33.4914596268 13.926448468 -5.926448468 8 4.9549173134 0.5939409764 0.1020386261 -5.60552187 -9.93776444 -4.26468377 -2.95065627 -6.25134023 -7.22358717 -3.28184476 -2.28181924 -5.52246696 -5.68590874 -3.77934608 -6.0171442 -9.20803705 -10.77204039 7.56590213 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54143-55-4 3356 170464874 A Flecainide acetate FC(F)(F)COc2cc(C(=O)NCC1CCCCN1)c(OCC(F)(F)F)cc2 Tox21_110151_1 -NCGC00182552-02 196723707 tox21-ror-cho-viability-p1 set3 4 21.1316824289 10.221864924 -0.721864924 9.5 1.692447691 0.6169976698 0.086824744 0.53005052 0.57050155 -0.52113364 -0.45099584 -0.96990523 0.12071931 -1.33257327 3.98809032 -3.37212685 -2.25395903 -3.51822077 0.11504726 2.51245337 3.49837446 7.61174593 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 198904-31-3 148192 170465290 A Atazanavir CC(C)(C)[C@H](NC(=O)OC)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc2ccc(cc2)c3ccccn3 Tox21_113081_1 -NCGC00183103-01 196723712 tox21-ror-cho-viability-p1 set3 2.4 33.4914596268 26.7577899759 -2.7577899759 24 4.9549173134 0.7250890958 0.0278605378 -6.52529725 -1.42868246 -0.61841 -1.59559691 4.01641206 -2.09304803 0.51535979 0.57673425 -4.28476847 -3.66429964 -3.90120587 -7.91861382 -4.07793609 -8.96482498 21.66929078 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 9002-96-4 9938056 144206517 F Ac Tocophersolan O=C(OCCO)CCC(=O)Oc2c(C)c(C)c1O[C@@](C)(CCc1c2C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C Tox21_112964 -NCGC00091861-07 196717774 tox21-ror-cho-viability-p1 set2 4 -4.81325484 -7.2019295 -4.8346787 3.37941762 -4.97018655 -5.78623767 -6.04967516 -1.06548766 -7.11499043 -0.81413747 -2.14788867 -0.54957875 -6.69243692 -6.4189382 4.23413555 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4342-03-4 5281007 170464655 A Dacarbazine CN(C)/N=N/c1ncnc1C(N)=O Tox21_111171_1 -NCGC00263659-01 196717756 tox21-ror-cho-viability-p1 set2 4 0.02056312 0.39086403 0.71523049 2.35748268 -5.42892745 8.47773018 -0.32980584 3.070886 0.49154125 0.34370712 -0.33889955 1.47490558 -0.52326545 -0.9414086 1.78934981 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1180-71-8 179651 170465751 A Limoni C[C@]35CC[C@@H]1[C@@]76COC(=O)C[C@@H]7OC(C)(C)[C@@H]6CC(=O)[C@@]1(C)[C@@]45O[C@@H]4C(=O)O[C@H]3c2ccoc2 Tox21_111513_1 -NCGC00015443-17 196717766 tox21-ror-cho-viability-p1 set2 4 -3.22052289 -4.53800108 -7.85254659 -3.11615493 -3.74983552 -9.37130846 0.53628917 -0.10745396 -1.71647471 -5.99764754 -1.65095326 -0.72043262 -1.02878897 -0.08320296 -7.37244856 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54143-55-4 3356 170464874 A Flecainide acetate FC(F)(F)COc2cc(C(=O)NCC1CCCCN1)c(OCC(F)(F)F)cc2 Tox21_110151_1 -NCGC00160640-03 196717768 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -12.997226672 2 -10.997226672 4.9549173134 0.5687822407 0.1215353797 -0.84814958 -0.64035752 1.97881125 2.34035751 3.98902253 5.11210231 5.92245947 7.27199125 0.064506 0.76239258 2.36903957 -1.22563387 1.12610307 2.12860095 -9.16435556 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84379-13-5 107926 170466570 A Bretazenil CC(C)(C)OC(=O)c1ncn3c1[C@@H]4CCCN4C(=O)c2c3cccc2Br Tox21_111947_1 -NCGC00257101-01 196718178 tox21-ror-cho-viability-p1 set2 4 1.69459293 2.13422809 -0.20319783 4.86203518 -0.58581701 2.93208845 1.53281129 3.83146928 5.75645398 1.43000764 7.6319769 -0.6680863 -0.12252282 0.34354753 0.62331634 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3709-43-1 19458 144213386 A Disodium 4,4'-dinitro-2,2'-stilbenedisulfonate [Na+].[Na+].O=S([O-])(=O)c2cc(ccc2C=Cc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)[N+]([O-])=O Tox21_303069 -NCGC00256773-01 196718186 tox21-ror-cho-viability-p1 set2 4 0.71135612 0.81112645 0.27225622 2.81988282 0.71122646 0.23190161 1.1084138 -5.14997294 0.64712927 -8.00307446 -1.27781858 4.82860523 1.33773262 1.50613754 0.04347736 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2785-87-7 17739 144213039 A F 2-Methoxy-4-propylphenol Oc1ccc(cc1OC)CCC Tox21_302722 -NCGC00256500-01 196718188 tox21-ror-cho-viability-p1 set2 4 -0.34193512 0.24634602 1.95273 0.66221504 -2.00975998 4.39142068 0.63399478 3.20147116 -2.32877672 1.47815375 3.76004809 0.47138635 4.07396375 5.96939473 -1.91939531 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-32-4 8467 144213220 A A 3-Ethoxy-4-hydroxybenzaldehyde CCOc1cc(ccc1O)C=O Tox21_302903 -NCGC00256702-01 196718189 tox21-ror-cho-viability-p1 set2 4 -0.47965666 -2.06852621 -0.30087215 0.71233261 -6.04586059 -2.48423891 -3.62500451 -0.31803471 1.23759685 -0.43103527 -1.05322745 0.07604265 -2.98157315 -2.42218197 0.97810637 1.177E-9 2.631E-9 5.884E-9 1.316E-8 2.942E-8 6.579E-8 1.471E-7 3.289E-7 7.355E-7 0.000001645 0.0000036779999999 0.000008223 0.00001839 0.000041119999999 0.000091939999999 1320-15-6 60196431 144212812 A F 2,4-DB-isooctyl ester Clc1cc(Cl)ccc1OCCCC(=O)OC(CC)CCCCC Tox21_302495 -NCGC00254705-01 196714054 tox21-ror-cho-viability-p1 set2 -1.1 2.1689942904 -82.5393960689 0.8727204109 -81.666675658 1.8579476909 0.9970463194 0.0002635388 1.86447756 0.57785369 -0.83721818 1.93316088 -0.89697974 2.25358225 1.37490202 0.49557801 -8.57287556 -32.04774365 -74.46003148 -37.51985036 -76.18510933 -84.01921364 -82.84659296 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2425-06-1 17038 144211118 A I Captafol ClC(Cl)C(Cl)(Cl)SN2C(=O)C1CC=CCC1C2=O Tox21_300801 -NCGC00016374-05 196713211 tox21-ror-cho-viability-p1 set2 4 -0.48685291 -0.06395636 -1.72306825 -2.69150536 -2.29223071 -2.18308438 -3.30494964 -0.19042463 1.68626776 0.2222413 -0.49338297 3.31148369 2.64221362 2.00069244 5.96975141 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 121-59-5 8480 170466507 A Carbarsone O=C(N)Nc1ccc(cc1)[As](O)(O)=O Tox21_110404_1 -NCGC00015884-13 196713222 tox21-ror-cho-viability-p1 set2 4 -0.27067754 -2.79966705 0.22105275 -1.41243624 -0.59941751 -1.43626379 -1.02725225 -3.53945658 -0.38193218 -1.81166377 2.85840067 -0.09620646 1.65297985 0.1325432 0 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54187-04-1 68712 170466278 A Rilmenidine C1CC1C(NC2=NCCO2)C3CC3 Tox21_110254_1 -NCGC00091278-03 196713634 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -13.132447268 2.5 -10.632447268 4.9549173134 0.6409492521 0.0706407618 4.70699924 7.2901326 3.35946992 4.30428963 0.76223544 2.79004419 1.31534303 -0.37215527 2.66427478 1.9325064 -1.06899734 2.76916688 1.98429722 1.85176997 -8.02703939 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00253956-01 196714058 tox21-ror-cho-viability-p1 set2 4 -0.82975487 -1.57406885 -2.46231845 -3.60377854 0.29038688 -2.92405428 -8.25258817 -2.9970586 -0.50240141 -3.62648619 -3.39863132 -1.55069773 -5.64542451 -3.11632526 -3.25497811 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-80-4 7579 144210453 A A 4,4'-Oxydianiline Nc1ccc(cc1)Oc2ccc(N)cc2 Tox21_300133 -NCGC00257842-01 196716463 tox21-ror-cho-viability-p1 set2 4 2.92834492 -1.14653504 -3.71429535 -6.63705184 1.67640369 -4.16598483 0.99857975 0.74101717 2.3138699 -5.74951395 -4.20418231 -5.51870829 -1.94971025 -1.99384685 -0.36716769 1.5089999999E-9 3.373E-9 7.543E-9 1.6869999999E-8 3.771E-8 8.433E-8 1.8859999999E-7 4.217E-7 9.4289999999E-7 0.000002108 0.000004714 0.000010539999999 0.00002357 0.000052709999999 0.0001179 120-66-1 8443 144207486 A A N-Acetyl-o-toluidine O=C(C)Nc1ccccc1C Tox21_200288 -NCGC00258557-01 196716460 tox21-ror-cho-viability-p1 set2 4 -2.46505498 -3.57018001 -2.59469711 -0.19516916 3.86439047 -2.71053451 0.16928516 0.66364765 -0.04088883 0.4007461 -5.3589342 1.22862016 0.65956316 2.1530571 2.88376658 1.1989999999E-9 2.6809999999E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.7019999999E-8 1.4989999999E-7 3.351E-7 7.493E-7 0.000001676 0.000003747 0.000008378 0.00001873 0.00004189 0.00009366 111-68-2 8127 144208202 A F Heptylamine CCCCCCCN Tox21_201004 -NCGC00091080-03 196716464 tox21-ror-cho-viability-p1 set2 4 -3.9512129 -1.677827 -4.68316063 -1.5014739 -1.47196392 -1.09695963 -3.27473048 -4.59122925 -0.90185691 -4.40366763 -4.54197004 -3.3293277 -3.1460574 -3.28203413 2.48369323 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00257800-01 196716477 tox21-ror-cho-viability-p1 set2 4 0.29456478 -2.13168663 -1.1526102 -2.79765509 -1.04079554 -2.52138538 -3.05850617 -3.12468226 0.84425029 -2.47177842 -2.20545346 -2.91606078 -1.4006237 1.99077815 -2.81361508 1.173E-9 2.624E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.000003667 0.0000081989999999 0.00001833 0.00004099 0.000091659999999 7791-18-6 643991 144207444 Magnesium chloride hexahydrate O.O.O.O.O.O.Cl[Mg]Cl Tox21_200246 -NCGC00257885-01 196716478 tox21-ror-cho-viability-p1 set2 4 42.4861476153 12.5402164679 -6.5402164679 6 2.4063783767 0.5131113227 0.1678904172 -1.70760898 -8.28990148 -3.76289222 -9.99273443 -4.61546524 -8.09860668 -3.30499725 -4.05321632 -12.95018039 -7.91375497 -3.7283127 -7.01081498 -5.35063178 -0.39160716 4.25507726 1.162E-9 2.598E-9 5.808E-9 1.299E-8 2.9039999999E-8 6.494E-8 1.4519999999E-7 3.247E-7 7.2599999999E-7 0.000001623 0.0000036299999999 0.000008117 0.000018149999999 0.00004059 0.00009076 563-58-6 11245 144207529 FNS 1,1-Dichloropropene C\C=C(\Cl)Cl Tox21_200331 -NCGC00258019-01 196716480 tox21-ror-cho-viability-p1 set2 4 -0.23303492 2.44000927 3.96198737 2.22403509 4.44086207 2.94451285 -0.27225577 4.43076283 -0.31816754 2.95206476 2.21643431 -0.97034751 0.62936007 1.07978613 -0.80314185 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.679E-8 1.494E-7 3.34E-7 7.468E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004175 0.000093349999999 25973-55-1 33263 144207663 FNS 2-(2H-Benzotriazol-2-yl)-4,6-bis(1,1-dimethylpropyl)phenol CC(C)(CC)c1cc(c(O)c(c1)C(C)(C)CC)n2nc3ccccc3n2 Tox21_200465 -NCGC00248803-03 196716873 tox21-ror-cho-viability-p1 set2 4 0.76841642 -0.91768348 1.12154238 3.68187577 2.0176494 2.45060845 0.07236519 1.27400101 0.86730401 3.43759175 -0.33726191 1.93860648 1.34970332 0.29263539 3.38118827 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3374-22-9 594 170464842 Z DL-Cysteine O=C(O)C(N)CS Tox21_111766_1 -NCGC00164533-02 196716874 tox21-ror-cho-viability-p1 set2 4 1.91305391 0.19400885 2.75154041 4.40706109 3.28476146 5.79101888 3.27469496 1.68837567 0.85283497 2.39519215 2.12729042 1.47930781 1.63119402 0.41553474 0.51639406 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 692-13-7 2468 170465982 D Buformin NC(=N)NC(=N)NCCCC Tox21_112164_1 -NCGC00090858-02 196716875 tox21-ror-cho-viability-p1 set2 4 -2.03495485 0.02894196 -1.90034563 -2.96849325 -2.15657275 -0.98771252 -4.44933256 -6.33887227 -2.97745256 -0.70746194 -4.55490316 -1.39174864 -0.89804443 -3.07760584 -8.37824252 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00260396-01 196711511 tox21-ror-cho-viability-p1 set2 4 -3.3590371 -10.91125737 -2.1766996 -7.68562169 -2.59485517 -3.5047915 -27.14949491 -5.69988964 -0.33427914 -1.98147792 -13.17885045 -3.30317172 -0.40530049 -1.78194878 -21.45722131 1.164E-9 2.602E-9 5.819E-9 1.301E-8 2.909E-8 6.5049999999E-8 1.4549999999E-7 3.253E-7 7.2729999999E-7 0.0000016259999999 0.0000036369999999 0.000008132 0.00001818 0.000040659999999 0.00009092 589-34-4 11507 144210048 Fns 3-Methylhexane CC(CC)CCC Tox21_202850 -NCGC00260031-01 196711497 tox21-ror-cho-viability-p1 set2 -1.4 0.0472213451 -19.734642792 -1 -20.734642792 2.4063783767 0.5605965315 0.1596580647 -0.65617557 -1.61571645 -0.96062036 -6.41439012 -0.17170853 -0.24481463 -20.76367974 -26.77999364 -18.72337431 -14.67622948 -28.6494618 0 -31.44553566 -19.31072976 -13.44060127 5.8899999999E-10 1.317E-9 2.945E-9 6.5859999999E-9 1.4729999999E-8 3.293E-8 7.3629999999E-8 1.6459999999E-7 3.6809999999E-7 8.232E-7 0.0000018409999999 0.0000041159999999 0.000009204 0.000020579999999 0.00004602 50-76-0 457193 144209680 A F Actinomycin D CC(C)[C@H]6NC(=O)[C@@H](NC(=O)c1ccc(C)c2OC3=C(C)C(=O)C(N)=C(C3=Nc12)C(=O)N[C@@H]5C(=O)N[C@@H](C(=O)N4CCC[C@H]4C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]5C)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]7CCCN7C6=O Tox21_202482 -NCGC00357221-01 196711498 tox21-ror-cho-viability-p1 set2 2.4 68.5896218971 21.8406463721 0.1593536279 22 4.9549173134 0.917945926 0.0001194836 -0.1981868 2.7554187 2.7133952 -0.11848453 0.50748043 -0.60189223 -1.11720531 -0.18805662 -0.90982461 -1.07338466 -0.72200531 2.62465194 0.82871994 1.10865884 18.15666392 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81-30-1 6678 251919951 I Naphthalene-1,8:4,5-tetracarboxylic dianhydride O=C4OC(=O)c1ccc2C(=O)OC(=O)c3ccc4c1c23 Tox21_304005 -NCGC00255626-01 196728301 tox21-ror-cho-viability-p1 set3 -1.1 13.6854287769 -96.8867917998 0.920130567 -95.9666612328 1.331 0.9839601887 1.32E-8 -3.93999006 3.1146291 2.50161147 2.5596453 1.5074225 -1.5939371 1.30635374 6.94067467 -10.62152322 0.23097376 -13.34347997 -34.32513925 -53.35972338 -79.14022446 -88.85801966 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1154-59-2 14385 144212390 A B 3,5-Dichlorosalicyl-3,4-dichloroanilide Clc2ccc(NC(=O)c1cc(Cl)cc(Cl)c1O)cc2Cl Tox21_302073 -NCGC00257535-01 196727892 tox21-ror-cho-viability-p1 set3 -2.4 54.4826732819 -31.332626384 2.5 -28.832626384 1.5385888099 0.9216653671 0.0000932507 1.82203788 2.85069741 4.44624862 5.47646305 5.03704009 3.33482352 1.49739926 0.64582938 1.14351087 -1.09702676 2.21840974 -1.31652727 -2.0202171 -8.39021965 -20.69385532 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-17-2 6872 144211618 A A Salicylanilide O=C(Nc1ccccc1)c2ccccc2O Tox21_301301 -NCGC00257548-01 196728292 tox21-ror-cho-viability-p1 set3 3 68.5896218971 37.52370126 1.47629874 39 4.9549173134 0.8118186594 0.0061498494 0 2.88447919 1.75946268 5.49484515 -1.1622412 0.36582815 4.64370784 7.71928834 6.68928254 -0.80245457 -0.69029777 -0.33934342 -6.26975105 -0.55884628 32.31495054 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18851-33-7 2723715 144211603 A A 1,10-Phenanthroline hydrochloride hydrate Cl.O.c1ccnc3c1ccc2cccnc23 Tox21_301286 -NCGC00091586-02 196728297 tox21-ror-cho-viability-p1 set3 4 0.0163045456 15.0472249 -11.0472249 4 0.2 0.4599121999 0.2345071323 -2.28463739 -11.70602075 -0.54005296 -4.01705179 -4.2118486 -0.71766872 -1.68482858 -0.86301215 -2.18355981 0.18469861 -1.65428335 0.83212593 1.57785398 2.12595666 -5.46052132 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00255199-01 196728310 tox21-ror-cho-viability-p1 set3 -2.1 30.6378586933 -79.6099543512 -3.908592408 -83.5185467592 1.0999999999 0.9791833935 5.98E-8 -5.23020675 2.80136316 -3.45297082 -9.300763 -3.63482161 -1.79456203 -1.93675465 -6.07481969 -2.21256279 -10.88767194 -10.42234414 -19.17617543 -32.05457891 -51.68677 -66.28456092 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6051-87-2 2361 144212341 A A 5,6-Benzoflavone O=C3C=C(Oc2ccc1ccccc1c23)c4ccccc4 Tox21_302024 -NCGC00255744-01 196728312 tox21-ror-cho-viability-p1 set3 4 0.0111548068 -21.67974438 3.17906637 2.22427407 -0.52173333 1.37669554 6.23953729 2.44819346 1.09972775 -6.13226905 0.17189758 3.25873699 2.01842614 1.15369263 -2.69838795 -1.45267526 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5700-49-2 21921 144212583 D A 1,2-Ethanediamine dihydriodide I.I.NCCN Tox21_302266 -NCGC00258097-01 196701778 tox21-ror-cho-viability-p1 set1 -2.4 54.8707457568 -40.21025908 3 -37.21025908 1.8079476909 0.9469524676 0.0000116564 3.36668833 3.19503947 4.5192752 0.02880064 4.8004702 5.1658012 -0.11544977 1.85301211 6.0017257 2.01975862 2.21946304 -0.28013243 -3.56555146 -10.09911542 -27.6752159 1.187E-9 2.653E-9 5.9329999999E-9 1.327E-8 2.9669999999E-8 6.633E-8 1.4829999999E-7 3.317E-7 7.416E-7 0.0000016579999999 0.000003708 0.000008292 0.00001854 0.00004146 0.000092709999999 131-54-4 8570 144207741 A A 2,2'-Dihydroxy-4,4'-dimethoxybenzophenone O=C(c1ccc(cc1O)OC)c2ccc(OC)cc2O Tox21_200543 -NCGC00255331-01 196701364 tox21-ror-cho-viability-p1 set1 -1.1 10.4610982095 -78.5919172719 2.26337185 -76.3285454219 1.21 0.9845077968 1.08E-8 1.20796214 3.0881225 -1.01587077 3.02245407 6.68063465 -0.02919642 -0.2013588 2.73029143 1.84902425 3.68328369 -15.05028662 -23.10250478 -38.10739565 -58.16005239 -68.05192835 7.7859999999E-10 1.7409999999E-9 3.893E-9 8.705E-9 1.947E-8 4.353E-8 9.733E-8 2.176E-7 4.8659999999E-7 0.000001088 0.000002433 0.0000054409999999 0.000012169999999 0.000027199999999 0.00006083 2353-45-9 16887 144212403 A A FD&C Green No. 3 [Na+].[Na+].CC/[N+](Cc1cccc(c1)S([O-])(=O)=O)=C2\C=C/C(C=C2)=C(\c3ccc(cc3)N(Cc4cccc(c4)S([O-])(=O)=O)CC)c5ccc(O)cc5S([O-])(=O)=O Tox21_302086 -NCGC00091632-02 196701765 tox21-ror-cho-viability-p1 set1 4 48.5577336745 -19.983249352 4 -15.983249352 3.9294729863 0.708078291 0.0346968343 0.95322485 2.16731484 0.5342562 1.81581656 5.03555193 8.88064188 2.65740334 1.30922932 11.50299605 3.04255273 6.61767875 1.26568653 6.68504625 -3.02558701 -14.56937446 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00257797-01 196701773 tox21-ror-cho-viability-p1 set1 4 5.74496713 -0.67529393 -0.83095948 5.88533046 -0.56130142 1.27585719 7.16647475 1.61124952 0.88448192 1.48962339 0.11689451 1.26342224 1.373136 6.2414401 2.21113935 1.171E-9 2.618E-9 5.854E-9 1.3089999999E-8 2.927E-8 6.545E-8 1.464E-7 3.2729999999E-7 7.3179999999E-7 0.0000016359999999 0.0000036589999999 0.0000081809999999 0.00001829 0.000040909999999 0.000091469999999 1704-62-7 74348 144207441 A F 2-[2-(Dimethylamino)ethoxy]ethanol CN(C)CCOCCO Tox21_200243 -NCGC00257879-01 196701784 tox21-ror-cho-viability-p1 set1 4 -7.56288303 -9.15447908 -5.76128248 -5.75267839 -2.59142235 -3.6588638 -13.20560613 -10.00478147 -8.66558006 -10.09065869 0.52979836 -3.33985652 -19.47050455 -18.39188247 -17.06708824 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004133 0.000092409999999 535-80-8 447 144207523 A A 3-Chlorobenzoic acid OC(=O)c1cc(Cl)ccc1 Tox21_200325 -NCGC00253985-01 196698816 tox21-ror-cho-viability-p1 set1 4 0.34114226 0.88143343 -0.22512597 -0.24023943 -1.04676352 1.03601123 -0.73231122 0.50628539 0.23493169 0.57552054 0.70840993 1.52761036 1.79684745 -1.79782653 1.43758291 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-57-5 8697 144210428 A A 2-Ethylhexanoic acid CCCCC(CC)C(=O)O Tox21_300108 -NCGC00015838-06 196698402 tox21-ror-cho-viability-p1 set1 4 -2.55076142 1.96037754 -0.20628497 -2.70993298 -3.12921587 -0.20216528 -3.1939327 0.33626267 -4.7668545 1.77524834 0.57287952 -5.13080388 -1.493474 -6.42656405 -4.05628793 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7681-67-6 24351 170466841 A Propionylpromazine hydrochloride Cl.CCC(=O)c1cc2N(CCCN(C)C)c3ccccc3Sc2cc1 Tox21_110240_1 -NCGC00253960-01 196698804 tox21-ror-cho-viability-p1 set1 4 3.67751692 4.39557109 -1.07831062 1.23299579 -1.33092479 1.82709405 -1.70792273 -2.46774701 1.17517428 1.46476457 3.58486457 2.38319136 2.6151161 1.63608245 0.95684212 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 541-73-1 10943 144210325 FNS 1,3-Dichlorobenzene Clc1cccc(Cl)c1 Tox21_300005 -NCGC00254804-01 196698805 tox21-ror-cho-viability-p1 set1 4 -2.28577812 0.91717621 -4.45403034 -0.43517468 -0.07634501 2.47676376 -0.87020463 1.61173482 -3.80582344 -3.98521875 -1.73744774 -3.22567589 2.55193283 -1.6224498 4.92745408 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79538-32-2 5281874 144211217 A A Tefluthrin Cl\C(=C/C2C(C(=O)OCc1c(F)c(F)c(C)c(F)c1F)C2(C)C)C(F)(F)F Tox21_300900 -NCGC00356962-01 196723742 tox21-ror-cho-viability-p1 set3 4 -5.09136156 -1.02312107 -0.95880426 -6.08044431 0.57406861 2.06726366 2.19089267 -1.03040972 -4.23749234 -0.07228046 -1.8445225 -7.41195159 -5.63380553 -0.11213469 -1.20094472 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 29548-30-9 94403 251919812 I Farnesyl acetate CC(=O)OCC=C(C)CCC=C(C)CC\C=C(/C)C Tox21_303761 -NCGC00164173-06 196723326 tox21-ror-cho-viability-p1 set3 4 2.2784027 -0.10273596 1.94235785 9.07475515 7.69551807 0.32489453 -0.5116593 8.56639301 4.20906024 -0.21771994 3.92806208 -0.06969804 1.85109177 4.65284883 15.24262745 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1843-05-6 15797 170466327 A Octabenzone O=C(c1ccc(cc1O)OCCCCCCCC)c2ccccc2 Tox21_112089_1 -NCGC00092362-02 196723336 tox21-ror-cho-viability-p1 set3 4 0.0668242473 13.2553865199 -12.2553865199 1 3.9899729863 0.3947419512 0.2451854329 -22.15083403 -0.21774677 -8.07824404 -26.4628221 -2.19797996 -25.50566687 -0.56577036 -3.16779432 4.63560615 0.07726676 5.44849214 2.59218655 -3.30854777 -1.63327614 -14.12967028 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112108-01-7 107930 170466462 A Ecopipam Oc3cc4[C@@H]1[C@H](CCc2ccccc12)N(C)CCc4cc3Cl Tox21_111197_1 -NCGC00260336-01 196723734 tox21-ror-cho-viability-p1 set3 4 3.4733520451 -14.12142636 0 -14.12142636 2.4063783767 0.4938744005 0.1845378009 -5.31779332 3.66476096 4.03041207 -2.90629719 -0.46802973 0.32518317 0.04269312 -4.04405776 0.16881653 0.85269944 5.66127673 2.04017544 -5.78628579 -0.59340199 -14.2678553 7.367E-11 1.6469999999E-10 3.684E-10 8.237E-10 1.842E-9 4.118E-9 9.209E-9 2.059E-8 4.605E-8 1.03E-7 2.3019999999E-7 5.148E-7 0.000001151 0.000002574 0.000005756 632-99-5 12447 144209988 F C.I. Basic Violet 14 Cl.N=C1C=C/C(C=C1)=C(\c2ccc(N)c(C)c2)c3ccc(N)cc3 Tox21_202790 -NCGC00357135-01 196724148 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -51.5466907375 -2.6066918909 -54.1533826284 3.5722481694 0.7823925603 0.0112465715 -0.69933786 -12.16464835 -9.27979421 -10.44423376 -0.20548407 -2.61356875 -3.99569802 2.13809484 3.37654334 5.04162904 -0.46198656 2.76529793 -8.27716448 -9.78876948 -41.02528987 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 319-86-8 727 251919672 F delta-Hexachlorocyclohexane Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H]1Cl Tox21_303873 -NCGC00260581-01 196724157 tox21-ror-cho-viability-p1 set3 4 0.7497803863 6.1635707799 -1.6635707799 4.5 1.331 0.4181596619 0.2558301069 -6.80297565 -1.68601529 1.09238535 -0.9485787 2.14751731 -5.59661969 2.6337615 -5.76999485 2.1180043 2.42088553 1.77857036 1.76450268 9.27860576 2.89975743 3.58996605 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49477 144210234 M M NTP Mix41 CT1 3-EQP Tox21_203036 -NCGC00260279-01 196724159 tox21-ror-cho-viability-p1 set3 4 0.0001063993 13.637806912 -12.137806912 1.5 0.6999999999 0.6680280709 0.0548572525 -9.28150576 -2.17851793 -0.84195125 -4.26373882 -2.53751557 1.13974449 2.15686918 1.03818468 3.89811959 -0.26871473 0.79835216 -0.71661824 1.55211299 1.07204636 3.10315876 5.38E-11 1.203E-10 2.6899999999E-10 6.015E-10 1.345E-9 3.007E-9 6.7239999999E-9 1.5039999999E-8 3.3619999999E-8 7.5179999999E-8 1.681E-7 3.7589999999E-7 8.4059999999E-7 0.0000018799999999 0.000004203 2439-10-3 17110 144209929 Fns Dodine CC(=O)O.N=C(N)NCCCCCCCCCCCC Tox21_202731 -NCGC00258711-01 196724160 tox21-ror-cho-viability-p1 set3 -1.1 13.7689754884 -71.4393024629 0.486113153 -70.9531893099 1.6604358099 0.9758908872 1.393E-7 -4.07315851 -3.0873132 1.93538758 -0.16731107 -3.4830303 4.79710416 4.15542491 5.78039172 4.04500934 -6.78501606 -9.76631124 -18.26082124 -45.03654647 -64.25188979 -64.35847675 1.1859999999E-9 2.6519999999E-9 5.929E-9 1.326E-8 2.9649999999E-8 6.629E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008286 0.00001853 0.000041429999999 0.00009265 23541-50-6 62770 144208357 A A Daunomycin hydrochloride Cl.CC(=O)[C@@]4(O)C[C@H](O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1)c5c(O)c3C(=O)c2c(OC)cccc2C(=O)c3c(O)c5C4 Tox21_201159 -NCGC00091602-02 196724162 tox21-ror-cho-viability-p1 set3 4 -3.15855952 -7.48141169 2.08408796 -5.5483348 -3.94413911 -6.08280516 -6.15869537 -1.78814424 -2.96597986 -2.59734577 -0.25754357 -3.72235409 -4.81091859 -5.45487691 -16.0630813 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00257311-01 196719468 tox21-ror-cho-viability-p1 set2 4 0.1535530364 4.001543196 -4.001543196 0 4.9549173134 0.3919632142 0.2832582312 -1.54659354 -4.17900891 -1.10770876 -0.0959744 -6.22271573 -9.58461933 -2.24544912 0.74690024 1.23946221 0.66996461 -1.57722396 1.18458357 -0.28929705 -1.96916163 0.03773026 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-05-8 22697 144213693 A A Ethyl 4-chlorophenyl ketone O=C(CC)c1ccc(Cl)cc1 Tox21_303381 -NCGC00256585-01 196719024 tox21-ror-cho-viability-p1 set2 -1.1 19.3311819617 -77.0328874389 1.1137419009 -75.919145538 4.9549173134 0.9322474426 0.0000431858 1.30978011 0.64538169 0.14192593 -21.90049331 3.62494458 4.19423992 0.73468117 6.33831555 5.22012002 5.80218568 8.84485364 -2.38418958 -33.32572078 -80.01772735 -69.56728117 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 156-10-5 9074 144213139 A A 4-Nitrosodiphenylamine O=Nc2ccc(Nc1ccccc1)cc2 Tox21_302822 -NCGC00257392-01 196719026 tox21-ror-cho-viability-p1 set2 4 0.8400199 -1.18188236 -0.418992 0.29646137 2.3474895 0.20294339 1.66335278 3.15357799 -0.15573442 1.05389894 -0.39546781 1.61086016 1.43259491 4.67472166 1.29658118 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7785-26-4 440968 144213896 Fns (-)-alpha-Pinene CC2(C)[C@H]1CC=C(C)[C@@H]2C1 Tox21_303591 -NCGC00256564-01 196719446 tox21-ror-cho-viability-p1 set2 4 0.10964895 0.85154846 0 -0.44828789 3.11330889 2.16360324 3.17819251 3.14053249 0.18521903 1.55317784 0.70800545 -0.61093163 0.46583378 1.93401543 -0.23012552 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 150-78-7 9016 144213099 A Ac Hydroquinone dimethyl ether COc1ccc(OC)cc1 Tox21_302782 -NCGC00257612-01 196716547 tox21-ror-cho-viability-p1 set2 4 0.96844415 -4.92117354 -4.34297601 0.0827742 -1.82125457 -0.65435021 0.05839251 0.02218882 -3.54426131 -1.68288388 -2.47030844 0.70660907 -0.96613818 -2.91652806 -0.22471517 1.188E-9 2.657E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016599999999 0.000003713 0.000008302 0.00001856 0.000041509999999 0.00009282 95-64-7 7248 144207256 A A 3,4-Dimethylaniline Cc1cc(N)ccc1C Tox21_200058 -NCGC00257948-01 196715706 tox21-ror-cho-viability-p1 set2 4 -0.61823736 1.52462119 -3.48856186 1.8675486 -2.34849544 2.21231134 -6.07707398 1.44648429 -0.63833561 -2.04789968 1.15824234 1.22940637 1.12988598 -1.28478202 0.97302154 1.245E-9 2.784E-9 6.226E-9 1.392E-8 3.113E-8 6.961E-8 1.557E-7 3.481E-7 7.7829999999E-7 0.0000017399999999 0.000003891 0.000008701 0.00001946 0.000043509999999 0.00009729 31906-04-4 91604 144207592 A A 4-(4-Hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde O=CC1CC=C(CCCC(C)(C)O)CC1 Tox21_200394 -NCGC00258258-01 196715710 tox21-ror-cho-viability-p1 set2 4 0.0270562918 4.6220715519 -3.1220715519 1.5 4.9549173134 0.3862749756 0.3042734018 2.19008517 -6.76839296 -3.81478881 -3.97583208 -0.24830889 5.03237485 0.62025202 -3.86203486 3.15372219 2.31332062 1.01511102 3.46079039 0.74064846 1.05314046 -9.03157294 1.171E-9 2.618E-9 5.854E-9 1.3089999999E-8 2.927E-8 6.545E-8 1.464E-7 3.2729999999E-7 7.3179999999E-7 0.0000016359999999 0.0000036589999999 0.000008182 0.00001829 0.000040909999999 0.000091469999999 20098-48-0 88365 144207902 A Ac 3,4,5-Trichloronitrobenzene Clc1cc(cc(Cl)c1Cl)[N+]([O-])=O Tox21_200704 -NCGC00258618-01 196716120 tox21-ror-cho-viability-p1 set2 -1.1 22.3976855851 -95.5029184931 2.2524985525 -93.2504199406 2.5884283767 0.9991522924 0 1.20796979 1.93939276 1.80412175 2.13946348 2.19576044 3.52837416 2.85082199 4.06268008 1.71746254 1.81880426 1.45341819 -2.92376654 -35.88558566 -77.52500834 -90.88734887 1.212E-9 2.71E-9 6.059E-9 1.3549999999E-8 3.029E-8 6.774E-8 1.515E-7 3.387E-7 7.5729999999E-7 0.000001693 0.000003787 0.000008467 0.00001893 0.00004234 0.00009467 2160-93-2 62430 144208263 A A 2,2'-(tert-Butylimino)diethanol CC(C)(C)N(CCO)CCO Tox21_201065 -NCGC00257804-01 196716548 tox21-ror-cho-viability-p1 set2 4 -1.0871768 -5.53545628 2.43147034 0.39493262 3.13003892 -4.62518937 -6.22410585 0.6283964 2.07158314 1.91083248 1.3562192 3.16963572 0.39199406 -0.93279627 0.75959352 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.302E-7 7.3839999999E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.0000923 3234-28-4 18604 144207448 A Fns 1,2-Epoxytetradecane CCCCCCCCCCCCC1CO1 Tox21_200250 -NCGC00090827-04 196716550 tox21-ror-cho-viability-p1 set2 4 -0.41883342 -4.37096599 0.74108307 -3.26314033 -4.06145196 -3.44866969 -0.7519854 -2.38033182 -0.67754911 -1.38661925 1.12826437 -4.7418575 -10.00181986 2.55184004 -2.10936693 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00258111-01 196716557 tox21-ror-cho-viability-p1 set2 -2.4 68.5896218971 -30.568372772 1.5 -29.068372772 4.5044702849 0.9416787403 0.0000195525 1.32108575 3.77068277 1.56206546 1.0438072 1.71257238 1.78003135 1.8742866 1.71533132 4.41880814 -0.77040299 0.34418716 4.35175958 -0.80156217 -0.90824841 -22.55697731 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.000003688 0.000008248 0.00001844 0.00004124 0.000092209999999 79-95-8 6619 144207755 A A 2,2',6,6'-Tetrachlorobisphenol A Clc1cc(cc(Cl)c1O)C(C)(C)c2cc(Cl)c(O)c(Cl)c2 Tox21_200557 -NCGC00164544-02 196716964 tox21-ror-cho-viability-p1 set2 4 -3.82027795 -1.83908615 -5.63007699 -6.61865157 -1.61355772 0.15587131 -2.15979138 -1.02079263 0.13285242 -0.546125 -1.8059482 1.2565618 -1.04776565 1.12077464 -0.51230107 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 101530-10-3 9927058 170465886 A Lanoconazole N#C\C(=C1/SCC(S1)c2ccccc2Cl)n3ccnc3 Tox21_112173_1 -NCGC00015854-10 196716968 tox21-ror-cho-viability-p1 set2 4 -1.006992 -3.49839642 -3.16910285 -3.44771723 -0.66836421 -2.88404094 -1.4071089 1.18599282 -1.01658104 -1.72984167 -0.06776317 0.4458097 0.47941359 1.71898095 1.49444378 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-34-0 9279 170464881 C Propantheline bromide [Br-].CC(C)[N+](C)(CCOC(=O)C1c3ccccc3Oc2ccccc12)C(C)C Tox21_111265_1 -NCGC00090780-04 196718119 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -15.8065512319 2 -13.8065512319 4.0949729863 0.6786890721 0.0488686335 1.03099913 0.11129589 0.23349391 2.84111308 0.73766291 6.10406418 -0.58461506 4.24076697 4.37283793 2.3696892 5.98313478 0.36901698 -0.39533521 0.28371304 -10.25545936 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00249937-01 196717726 tox21-ror-cho-viability-p1 set2 4 4.96E-8 -29.66825346 -31.95471313 -34.99546682 -30.58533058 -22.63086239 -15.38811761 -0.77920046 0.29330977 3.92816455 -0.11644658 -0.32470137 0.71682792 1.38398928 0.70776467 5.98543875 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84466-05-7 9861780 170465981 F A Amidoflumet Clc1cc(c(NS(=O)(=O)C(F)(F)F)cc1)C(=O)OC Tox21_113713 -NCGC00256543-01 196718120 tox21-ror-cho-viability-p1 set2 -2.2 27.3060203028 -56.4794876901 1.5866505399 -54.8928371502 2.2481167061 0.9928696471 1E-10 0.52643249 0.73847508 1.58604381 0.04492295 0.95693923 3.12408618 1.79648212 4.45048219 0.27038671 2.03327525 0.79039201 -2.39691676 -16.62472939 -37.20412936 -53.81650701 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-23-4 3037 144213330 A A Dichlorophen Oc2ccc(Cl)cc2Cc1cc(Cl)ccc1O Tox21_303013 -NCGC00256521-01 196718128 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -14.53692282 1.5 -13.03692282 4.0949729863 0.6850209235 0.0458712848 -1.77963285 3.35225231 -0.64596647 0.9731947 1.34569617 -0.28363916 2.75531905 5.43906411 2.52936572 0.57014174 4.17372611 0.03654864 0.02711415 0.11874569 -9.61410235 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58-90-2 6028 144213249 B B 2,3,4,6-Tetrachlorophenol Clc1cc(Cl)c(Cl)c(Cl)c1O Tox21_302932 -NCGC00257152-01 196718130 tox21-ror-cho-viability-p1 set2 4 0.02551477 -0.05148132 2.47225557 0.70935226 0.5559304 1.44903973 -0.34621873 4.75726754 1.11134757 -0.17415008 0.78697507 2.58334053 2.02667073 -0.13159502 1.78868089 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 631-64-1 12433 144213608 F Ac Dibromoacetic acid BrC(Br)C(=O)O Tox21_303291 -NCGC00162052-05 196713175 tox21-ror-cho-viability-p1 set2 4 2.18591809 -1.60453019 0.35259197 0.69651599 0.23621525 2.56372898 -0.53817503 1.78038195 -1.10533074 1.71725292 0.60011748 -0.56020043 3.09911342 -0.23519131 -1.42488162 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60414-06-4 43261 170466567 I Amiprilose hydrochloride Cl.CN(C)CCCO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1C(O)CO Tox21_111382_1 -NCGC00015060-14 196713166 tox21-ror-cho-viability-p1 set2 4 60.7577547203 20.056806284 -1.056806284 19 4.9549173134 0.5835413825 0.1092252251 0.57392333 -0.92253263 -1.27537054 0.74079354 1.19913526 0.7415322 2.33797335 2.73425547 0.67370937 0.15263285 -0.6783393 -8.50505044 -11.29733857 1.43209504 16.56248125 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00253606-01 196713172 tox21-ror-cho-viability-p1 set2 4 1.29481354 -1.22471236 -0.83634742 -3.28682568 -0.38999332 0.23244613 0.46131315 0.19303185 0.08618815 1.02415835 2.32503685 0.0011472 0.43471768 0.47499447 1.82848728 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 31868-18-5 4177 170465840 I F Mexazolam Clc1ccccc1C34OCC(C)N4CC(=O)Nc2ccc(Cl)cc23 Tox21_113740 -NCGC00183009-01 196713174 tox21-ror-cho-viability-p1 set2 4 -1.55481663 -0.15685581 -0.86576318 0.63054755 -0.05180133 1.10948784 2.81425126 0.17306907 2.13719632 0.90458802 0.25705912 1.05535845 1.11360149 1.98634005 4.47114454 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 150408-73-4 132916 144206813 A A Pranazepide Fc6ccccc6C3=N[C@H](NC(=O)c1cc2ccccc2n1)C(=O)N5CCc4cccc3c45 Tox21_113262 -NCGC00183849-01 196713177 tox21-ror-cho-viability-p1 set2 4 -1.88995268 -4.76486811 -4.96468507 -3.99041991 -5.86380065 -4.26586061 -3.4429727 -5.70966144 -3.80075754 -2.65013693 -1.15304318 -1.27772777 -0.66191412 -1.06259936 3.67952862 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 76568-02-0 4474062 144206866 A A Flosequinan CS(=O)C2=CN(C)c1cc(F)ccc1C2=O Tox21_113315 -NCGC00167540-03 196713571 tox21-ror-cho-viability-p1 set2 4 0.93969592 -0.60440969 -0.56978879 0.01522106 -1.80627002 3.85519535 1.6506603 0.40291259 -0.89618532 3.21634585 3.89219488 0.80405357 2.41490939 3.6076625 2.36224302 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83-34-1 6736 170465747 F 3-Methylindole Cc2cnc1ccccc12 Tox21_112537_1 -NCGC00164513-02 196713572 tox21-ror-cho-viability-p1 set2 4 -0.75720713 5.20467969 4.39470129 -2.18859181 -2.2205851 -1.77096464 5.47203139 5.06825995 -1.37590766 0.40439651 1.24808355 2.77200145 3.08142059 -1.75171643 0.83589491 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13898-58-3 10718 170466201 A Benzoylpas OC(=O)c1ccc(cc1O)NC(=O)c2ccccc2 Tox21_112148_1 -NCGC00257844-01 196729546 tox21-ror-cho-viability-p1 set3 -2.1 60.9441122888 -79.5254403139 -3.1848048969 -82.7102452108 2.8472712143 0.9290769237 0.0000550369 0.91669692 -6.2176723 0.60436018 -6.32430086 1.3565419 0.18612385 2.67362078 -6.72359528 -6.77892639 -2.62539494 -14.28203587 -0.6718934 -6.80521902 -21.44031509 -64.17442819 1.177E-9 2.6319999999E-9 5.884E-9 1.316E-8 2.942E-8 6.579E-8 1.471E-7 3.29E-7 7.356E-7 0.000001645 0.0000036779999999 0.000008224 0.00001839 0.000041119999999 0.000091939999999 12789-03-6 5993 144207488 FC Technical chlordane ClC2=C(Cl)C3(Cl)C1CC(Cl)C(Cl)C1C2(Cl)C3(Cl)Cl Tox21_200290 -NCGC00090702-02 196729553 tox21-ror-cho-viability-p1 set3 4 -0.8900763 -1.09529574 -3.70876789 -5.44705497 -5.75795085 -0.83406791 -3.84871305 1.27468161 -6.00121358 0.01096201 0.69543826 0.67947296 -1.62568395 -1.32750792 -0.24991044 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00258310-01 196729554 tox21-ror-cho-viability-p1 set3 4 1.65753624 0.92924369 0.38785527 0.35019153 -1.28315678 0.76703555 1.71083057 1.56682017 -0.23070663 -0.16677296 2.4480051 1.6681564 -0.14679491 -0.59933626 -2.54378769 1.203E-9 2.6889999999E-9 6.013E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003758 0.000008404 0.000018789999999 0.00004202 0.000093959999999 50-84-0 5787 144207954 A A 2,4-Dichlorobenzoic acid OC(=O)c1ccc(Cl)cc1Cl Tox21_200756 -NCGC00258057-01 196729967 tox21-ror-cho-viability-p1 set3 4 17.2815102632 -10.0427132559 -2 -12.0427132559 4.9549173134 0.7369990504 0.0238552341 -4.57762747 -3.49049173 0.35973891 -0.5344902 -4.47608111 -4.18867214 -3.83613315 -0.8463625 -0.08492193 -0.36100594 -3.30174925 2.52838423 -7.85151093 -13.78559438 -10.37113434 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3079999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.000008269 0.000018489999999 0.00004135 0.00009245 108-78-1 7955 144207701 A A Melamine Nc1nc(N)nc(N)n1 Tox21_200503 -NCGC00258751-01 196729970 tox21-ror-cho-viability-p1 set3 4 0.78213263 -0.29813261 1.02099405 -0.07938427 0.90076947 -0.64112841 1.75108658 0.06347002 0.48174159 7.88075406 0.91062289 1.35556222 0.51586097 1.71295805 0.78860484 1.2279999999E-9 2.745E-9 6.138E-9 1.3729999999E-8 3.069E-8 6.863E-8 1.535E-7 3.431E-7 7.6729999999E-7 0.000001716 0.0000038359999999 0.0000085779999999 0.00001918 0.00004289 0.00009591 105-59-9 7767 144208397 A Fns N-Methyldiethanolamine OCCN(C)CCO Tox21_201199 -NCGC00091839-03 196703443 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -13.56467308 0 -13.56467308 4.0949729863 0.4941293763 0.185147616 -8.86571823 -0.22208964 1.3135471 -0.68815226 -1.10404047 2.20711862 -0.0040891 3.35224122 -0.32789071 0.7061419 1.11905327 2.38925008 0.4197955 -1.37335796 -10.4705609 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00095042-06 196703028 tox21-ror-cho-viability-p1 set1 4 4.49268925 1.27387047 1.24720753 1.59771669 -0.39962429 0.4500924 4.89904993 0.45963882 1.14421367 1.79794551 -7.25621057 0.71447766 4.03184093 0.84209602 0.41216938 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00257772-01 196703438 tox21-ror-cho-viability-p1 set1 4 74.9284882841 -11.2372370919 0 -11.2372370919 4.9549173134 0.3256703802 0.3452773707 -0.31996363 0.28148758 -1.86039295 5.3864896 2.48584291 -5.28671984 -7.6650764 1.79411971 2.58183314 0.04558763 0.54281218 0.06459414 -0.10974133 0.02376598 -8.53103091 1.154E-9 2.5799999999E-9 5.7679999999E-9 1.29E-8 2.884E-8 6.449E-8 1.4419999999E-7 3.225E-7 7.21E-7 0.000001612 0.000003605 0.000008061 0.00001803 0.00004031 0.000090129999999 3018-12-0 18177 144207416 B Dichloroacetonitrile ClC(Cl)C#N Tox21_200218 -NCGC00260604-01 196703440 tox21-ror-cho-viability-p1 set1 4 0.5955717307 -5.2980553359 0 -5.2980553359 3.9899729863 0.4090028689 0.2818580865 0.07319463 3.55706254 -3.62749281 -6.37834408 -0.20951754 -0.15080137 3.41212862 0.47863934 1.32748648 -5.78037768 -4.0475735 -9.83171278 -3.88675219 -2.80566168 4.24438758 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49500 144210257 M M NTP Mix7 AR1 8-EQC Tox21_203059 -NCGC00260535-01 196703453 tox21-ror-cho-viability-p1 set1 4 0.81579969 -0.97640915 -0.72323018 -8.34125154 0.28065791 -3.72501765 -3.59449748 -0.57949237 5.01945498 -4.19446717 -20.57937174 -7.7532585 -5.77829543 0.30585832 -0.42701257 1.1919999999E-9 2.6659999999E-9 5.9609999999E-9 1.333E-8 2.98E-8 6.664E-8 1.49E-7 3.332E-7 7.451E-7 0.0000016659999999 0.000003725 0.00000833 0.00001863 0.000041649999999 0.00009313 90-05-1 460 144210188 A A 2-Methoxyphenol Oc1ccccc1OC Tox21_202990 -NCGC00260436-01 196703846 tox21-ror-cho-viability-p1 set1 4 2.9667225419 9.3664666199 -0.3664666199 9 3.0654483358 0.3728692728 0.2997809708 3.92510683 2.94862957 1.57594087 1.88139062 -2.21491391 0.15753697 -9.05538885 0.14250771 0.24737879 -3.26109867 -0.69836404 -0.10431117 0.5735545 0.68363484 9.21423915 5.869E-11 1.312E-10 2.9349999999E-10 6.562E-10 1.467E-9 3.2809999999E-9 7.3359999999E-9 1.64E-8 3.6679999999E-8 8.2019999999E-8 1.834E-7 4.101E-7 9.171E-7 0.000002051 0.000004585 51-65-0 4654 144210088 Fns 4-Fluoro-dl-phenylalanine Fc1ccc(CC(N)C(=O)O)cc1 Tox21_202890 -NCGC00260121-01 196703848 tox21-ror-cho-viability-p1 set1 4 7.15084352 4.37148002 1.19712313 0.93777435 1.21152738 3.61756373 3.44554269 9.21294132 6.41691546 0.8524366 9.3718371 1.36263532 8.4758955 6.37759445 4.4526695 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.33E-7 7.446E-7 0.000001665 0.0000037229999999 0.000008324 0.00001861 0.00004162 0.000093069999999 75-59-2 60966 144209770 A Tetramethylammonium hydroxide [OH-].C[N+](C)(C)C Tox21_202572 -NCGC00255951-01 196700479 tox21-ror-cho-viability-p1 set1 4 0.70997599 0.4782361 -2.37403682 1.11325393 0.41155526 3.77898146 1.73775821 2.00485807 1.82410579 -0.02713454 0.7117138 0.10712627 -4.12192041 0 0.47417902 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81-64-1 6688 144212358 A Ac 1,4-Dihydroxyanthracene-9,10-dione O=C2c1ccccc1C(=O)c3c2c(O)ccc3O Tox21_302041 -NCGC00255946-01 196700069 tox21-ror-cho-viability-p1 set1 4 0.3079304 -0.33128243 0.29519718 1.96531226 -0.56201772 3.5069566 0.42293524 1.47821748 2.0001775 7.28652631 -0.33134148 2.56582176 -0.61502578 0.22907434 1.82048432 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3878-19-1 19756 144211891 A A Fuberidazole n1c3ccccc3nc1c2ccco2 Tox21_301574 -NCGC00256210-01 196700468 tox21-ror-cho-viability-p1 set1 4 2.42271316 2.56514365 2.58516758 3.76621601 4.82782587 3.64306027 4.14774186 0.90311845 2.53509061 6.36519316 -1.48020757 -2.1229418 1.16973154 0.36959526 1.30418554 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2156-96-9 16541 144212056 A Fc Decyl prop-2-enoate C=CC(=O)OCCCCCCCCCC Tox21_301739 -NCGC00255393-01 196700471 tox21-ror-cho-viability-p1 set1 4 0.216899429 5.4297958279 -1.9297958279 3.5 4.9549173134 0.5490574399 0.1374708952 0.23906187 -2.65541991 -1.0177965 -2.17814341 -6.60816319 0.23536906 -2.43064624 4.60830297 2.65847846 9.57265835 2.60089971 0.84582018 0.0824282 4.19352902 3.79395483 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5124-30-1 21202 144211790 F Ac 1,1-Methylenebis(4-isocyanatocyclohexane) O=C=N/C1CCC(CC1)CC2CCC(/N=C=O)CC2 Tox21_301473 -NCGC00015893-06 196698421 tox21-ror-cho-viability-p1 set1 4 26.6032120037 8.62199162 -2.12199162 6.5 4.0449729863 0.317526493 0.3531169142 -0.03082013 -0.23197771 -4.60910014 0.16615615 -2.3267474 -3.51277944 -0.72508373 0.44185768 -11.76832635 0.50895042 -3.86478729 -1.0390362 -2.79984605 0.34105331 5.62975493 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 91374-21-9 5095 170465139 A Ropinirole CCCN(CCC)CCc1cccc2NC(=O)Cc12 Tox21_110256_1 -NCGC00021191-09 196698001 tox21-ror-cho-viability-p1 set1 4 -1.77549896 -2.3834409 1.14215773 2.50598204 -1.72836056 0.59132153 -0.84343348 -1.85114327 -2.85118637 -2.95474234 1.44010935 1.36835247 -3.2638692 1.60388631 -1.75305571 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-04-4 5745 170464685 A Cortisone acetate CC(=O)OCC(=O)[C@@]3(O)CC[C@H]2[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4C(=O)C[C@@]23C Tox21_113482_1 -NCGC00015735-11 196698007 tox21-ror-cho-viability-p1 set1 -1.1 0.9196227937 -76.8964131238 0.0990846009 -76.7973285229 2.1210667061 0.9938302549 0 1.55535704 -0.64250966 -4.36850785 0.73149697 -0.7597387 1.02423537 -0.57007539 0.68317199 0.42055106 -9.28195545 -42.08448726 -59.28182797 -76.7281314 -77.45379695 -75.88641352 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 50-65-7 4477 170465184 Bc Niclosamide Clc2cc(ccc2NC(=O)c1cc(Cl)ccc1O)[N+]([O-])=O Tox21_110209_1 -NCGC00183842-01 196698414 tox21-ror-cho-viability-p1 set1 4 1.17150642 0.46330487 0.36355919 3.71911909 4.13097743 3.65373209 -0.7812999 1.74135483 -0.37229232 1.50595132 2.76374778 0.00076489 0.68305092 0.28592997 0.777667 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 134865-33-1 3045414 144206838 A A Meluadrine O[C@@H](CNC(C)(C)C)c1ccc(O)cc1Cl Tox21_113287 -NCGC00014711-14 196698425 tox21-ror-cho-viability-p1 set1 4 2.50901818 -1.25384941 0.21753547 -4.26927029 -0.33661141 2.44148826 2.67230857 -5.41613402 0.16734161 1.46471502 -4.63675363 0.27096979 -4.06578777 2.07817008 0.97077726 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21256-18-8 4614 170464987 A Oxaprozin OC(=O)CCc1nc(c(o1)c2ccccc2)c3ccccc3 Tox21_110059_1 -NCGC00018098-07 196698426 tox21-ror-cho-viability-p1 set1 4 26.6032120037 -21.6963349879 -0.5 -22.1963349879 2.4729283767 0.7816055013 0.0114999556 1.29197938 1.63906643 -4.14238261 -0.52172726 -0.39313021 -0.56559895 3.39210206 1.98295465 0.39552857 -4.62656586 1.62270237 -5.3272292 -0.26989549 -8.48319107 -17.66361249 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83-73-8 3728 170465640 Ac Iodoquinol Oc1c(I)cc(I)c2cccnc12 Tox21_110823_1 -NCGC00015996-10 196698431 tox21-ror-cho-viability-p1 set1 4 -6.01961961 1.33867415 1.59016463 0.20924391 0.50856089 -1.73963635 0.75761403 3.81552873 -6.18031672 0.12275303 3.23519009 -1.14260721 -1.10373542 3.32127459 0.8262075 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51012-33-0 5702214 170465877 A Tiapride hydrochloride Cl.O=S(C)(=O)c1cc(c(OC)cc1)C(=O)NCCN(CC)CC Tox21_110276_1 -NCGC00254146-01 196699244 tox21-ror-cho-viability-p1 set1 4 -0.39551367 0.17304666 -0.18226915 -5.00819617 1.64339141 0.90381499 0.7934759 0.89323907 2.10375258 1.18968991 1.01213297 -0.37114728 0.53027777 0.50081242 1.35706936 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-28-0 7185 144210629 A A Triethylene glycol bis(2-ethylhexanoate) O=C(OCCOCCOCCOC(=O)C(CC)CCCC)C(CC)CCCC Tox21_300309 -NCGC00254666-01 196699821 tox21-ror-cho-viability-p1 set1 4 -0.00071 3.11164978 4.60364933 1.25459058 0.03957039 1.61992233 2.99931288 2.45461037 -1.13505773 0.07311733 2.29520924 2.42945144 5.01066645 1.71573964 0.73304182 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2008-41-5 16181 144211079 A A Butylate CC(C)CN(CC(C)C)C(=O)SCC Tox21_300762 -NCGC00260494-01 196703965 tox21-ror-cho-viability-p1 set1 -2.4 24.1880978209 -23.910790312 2.5 -21.410790312 1.8579476909 0.794676929 0.0088820579 -2.2024042 4.54979368 0.35890315 0.24065567 -3.13690532 -0.20281476 7.38210595 9.34485409 7.06679519 3.19499987 1.49893321 1.86424258 -9.28861641 -12.95642582 -20.34232526 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.282E-7 7.34E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.00009175 84-79-7 3884 144210146 A B Lapachol C/C(C)=C\CC=2C(=O)c1ccccc1C(=O)C=2O Tox21_202948 -NCGC00357276-01 196703966 tox21-ror-cho-viability-p1 set1 4 -3.08734284 1.79905436 6.25703445 1.14871417 2.51429797 -0.52167155 7.92894475 3.145503 0.43644932 1.17012794 0.62637306 5.36225707 3.24996149 1.4713843 9.30582248 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10061-01-5 5280970 251919704 Fns (Z)-Dichloropropene Cl\C=C/CCl Tox21_303973 -NCGC00256148-01 196700233 tox21-ror-cho-viability-p1 set1 4 0.3117282 0.32761092 -1.41612812 0.81517371 0.21158198 2.81516035 3.19665404 -1.71969021 0.58158756 1.26507228 -1.28924705 -1.38408233 3.32418297 2.42027539 -0.28866606 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3658-48-8 6327514 144211999 F A Bis(2-ethylhexyl) phosphonate CCCCC(COP(=O)OCC(CC)CCCC)CC Tox21_301682 -NCGC00254983-01 196699828 tox21-ror-cho-viability-p1 set1 4 -0.94222915 7.41337911 0.28595482 -1.82363244 5.65353703 -1.06861561 -1.4968798 0.20306595 1.19222387 -0.75689592 -0.339948 4.54573201 0.11681306 1.02257354 8.28700123 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55283-68-6 41381 144211399 A Ethalfluralin [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CC(=C)C)CC)C(F)(F)F Tox21_301082 -NCGC00254727-01 196699829 tox21-ror-cho-viability-p1 set1 4 -0.32598149 1.20261145 0.67284821 1.53722247 1.28711234 0.57789444 -0.36904386 1.22735995 4.9125575 1.20447368 1.35638164 1.58456965 1.9048117 0.41717914 3.32466935 1.203E-9 2.6889999999E-9 6.014E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003759 0.000008404 0.000018789999999 0.00004202 0.000093959999999 3658-77-3 19309 144211140 FNS 4-Hydroxy-2,5-dimethyl-3(2H)furanone CC=1OC(C)C(=O)C=1O Tox21_300823 -NCGC00255712-01 196700232 tox21-ror-cho-viability-p1 set1 4 -1.35651139 -1.16694952 -3.98888397 -1.98424226 -2.60958386 -5.22213611 1.19781026 -0.50325342 -4.02973614 -0.27912103 0.25676 0.59844365 0.32470896 1.07521508 -1.56054709 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-07-9 6515 144211691 F Ethyltriethoxysilane CCO[Si](OCC)(OCC)CC Tox21_301374 -NCGC00255568-01 196700241 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -13.76054402 2 -11.76054402 4.0949729863 0.6674170109 0.0551936306 -0.14137882 0.89807499 4.25650997 1.06162185 5.26895256 -0.18164152 0.79512525 1.1924185 1.49832586 5.47158509 -0.24407075 3.38238183 0.55468361 0.39191313 -8.55045335 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23110-15-8 6917655 144212727 F Fumagillin C[C@@]1(O[C@@H]1C\C=C(\C)C)[C@H]3[C@H](OC)[C@H](OC(=O)\C=C\C=C\C=C\C=C\C(=O)O)CC[C@@]23CO2 Tox21_302410 -NCGC00256298-01 196700243 tox21-ror-cho-viability-p1 set1 4 0.5448267328 5.9419747039 -2.9419747039 3 4.9549173134 0.5209181204 0.1611972049 -4.20447821 -2.97156368 -2.64109849 -2.38442944 -1.47489857 -3.37059499 -0.37780292 -7.03497892 3.71784526 6.63783763 -0.94245856 -2.72893394 3.08068194 6.59437383 2.81957457 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15706-73-7 61812 144212627 F Fns Butyl 2-methylbutyrate O=C(OCCCC)C(C)CC Tox21_302310 -NCGC00255634-01 196700244 tox21-ror-cho-viability-p1 set1 4 0.18018887 1.12565839 0.20369171 2.62093184 -2.87155422 3.80990185 0.31253676 0.3889353 0.83381622 5.88708996 1.17112304 0.13941596 1.31218295 1.22106467 1.66880942 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5349-51-9 79302 144211952 D A 4-(2-Methylbutan-2-yl)cyclohexanol OC1CCC(CC1)C(C)(C)CC Tox21_301635 -NCGC00255614-01 196700249 tox21-ror-cho-viability-p1 set1 4 2.38843966 -0.51456222 -0.50141116 2.76324881 -0.01003003 0.73943806 0.66815797 2.29914031 0.86237875 0.38509639 3.38562482 4.48236413 1.94848749 1.09782944 0.6576261 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19408-46-9 88045 144212553 Ac Kasugamycin hydrochloride Cl.O=C(O)C(=N)N[C@H]2C[C@H](N)[C@@H](O[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1O)O[C@@H]2C Tox21_302236 -NCGC00256166-01 196700253 tox21-ror-cho-viability-p1 set1 4 0.5631382 -0.26508376 1.2468331 0.66342873 4.03664308 0.42387735 2.43663593 5.81510761 1.53905823 1.57633265 3.40180334 2.19488266 0.37773097 3.67548329 -0.83923696 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16066-35-6 6640 144212079 A Bc 4-(Propan-2-yl)benzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(C)C Tox21_301762 -NCGC00255106-01 196700646 tox21-ror-cho-viability-p1 set1 4 0.53602435 -5.18827979 0.8749339 0.38524219 -0.54397655 1.6154676 0.16265758 -2.18969404 2.3235559 -0.69157375 -3.43672298 2.71048022 -3.15050097 -3.26000027 -1.8006245 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1772-03-8 2723866 144212319 Z F Galactosamine hydrochloride Cl.O[C@H]1[C@@H](O)[C@@H](CO)OC(O)[C@@H]1N Tox21_302002 -NCGC00256473-01 196708000 tox21-ror-cho-viability-p1 set1 4 -0.39060552 3.81199484 1.91849007 -3.14447053 0.68983689 1.48989586 1.81600623 2.96068544 0.29227741 -0.25934151 2.77051273 5.2815872 3.05912064 0.26447745 -1.31585812 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-79-2 6498 144213134 A 3-Sulfolene O=S1(=O)CC=CC1 Tox21_302817 -NCGC00091839-03 196710885 tox21-ror-cho-viability-p1 set2 4 54.4826732819 -19.8455550279 0 -19.8455550279 3.5117481694 0.9183100135 0.0001167811 1.92691776 -0.30838119 1.07975488 1.1886779 0.06937313 0.86644196 -4.11609791 -0.07561422 1.03229952 0.67134386 -0.05073572 0.23268415 0.15565555 -5.66381623 -16.95462919 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00255677-01 196710887 tox21-ror-cho-viability-p1 set2 4 2.43591338 1.37772911 1.82229071 -0.26177392 -0.10403606 -0.31405534 0.68073415 0.59650299 -1.20669994 0.14518898 -1.67468586 0.83260976 1.82049833 0.82727956 2.73323129 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 35661-60-0 1549133 144211812 A A N-(9-Fluorenylmethoxycarbonyl)-L-leucine O=C(O)[C@H](CC(C)C)NC(=O)OCC3c1ccccc1c2ccccc23 Tox21_301495 -NCGC00260254-01 196711283 tox21-ror-cho-viability-p1 set2 4 0.038218028 14 1 15 1.21 0.8773781924 0.0008814429 1.2322677 2.64947351 2.44960474 1.14877986 10.63915803 9.01175839 11.14037096 16.25645953 15.17479294 15.14225723 12.17479614 13.24376976 13.5203095 18.80677463 16.01270967 1.171E-9 2.618E-9 5.854E-9 1.3089999999E-8 2.927E-8 6.545E-8 1.464E-7 3.2729999999E-7 7.3179999999E-7 0.0000016359999999 0.0000036589999999 0.000008182 0.00001829 0.000040909999999 0.000091469999999 893443-18-0 60196393 144209904 A A 1-Ethyl-1-methylpyrrolidinium trifluoromethanesulfonate C[N+]1(CC)CCCC1.FC(F)(F)S([O-])(=O)=O Tox21_202706 -NCGC00090885-03 196707569 tox21-ror-cho-viability-p1 set1 4 -7.65881028 -1.04989728 -4.5935326 -9.7612012 -5.96768786 -0.86824697 -1.31128275 -15.77296006 1.61819243 -9.36965884 -16.99288137 0.10429673 -6.15213122 1.37590862 -6.81202888 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00090952-07 196707986 tox21-ror-cho-viability-p1 set1 4 0.15025332 -0.30586124 -1.68547274 2.44245344 -0.53297662 3.43871162 0.09256682 6.15089736 2.91973479 1.14748168 0.15421918 2.65867 2.71154423 0.59672021 3.73214272 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00256391-01 196707987 tox21-ror-cho-viability-p1 set1 4 -10.6328104 -13.69590779 -4.17990386 -9.22702326 -8.12281126 -7.47484583 -10.22888515 -2.68484016 -14.99091568 -14.43537718 -10.78435956 -16.52287265 -13.10445258 -16.34754833 -11.91510049 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-51-4 802 144213048 A A Indole-3-acetic acid O=C(O)Cc2cnc1ccccc12 Tox21_302731 -NCGC00259237-01 196708400 tox21-ror-cho-viability-p1 set2 4 67.9623322576 -18.6204112 2 -16.6204112 4.0949729863 0.8357587259 0.003447061 6.14675758 -0.06523146 4.50523384 1.0395646 2.99332408 3.01340072 2.68492875 2.28838149 0.82282164 -0.10427695 2.64615944 1.77370434 1.05823316 -0.21369152 -12.183676 1.171E-9 2.6189999999E-9 5.856E-9 1.3089999999E-8 2.9279999999E-8 6.547E-8 1.464E-7 3.274E-7 7.3199999999E-7 0.000001637 0.00000366 0.0000081839999999 0.0000183 0.00004092 0.0000915 74115-24-5 73670 144208886 A A Clofentezine Clc3ccccc3c1nnc(nn1)c2ccccc2Cl Tox21_201688 -NCGC00259457-01 196708403 tox21-ror-cho-viability-p1 set2 4 0.92364629 -2.38290901 -13.6476976 -5.60359518 -1.99822241 -3.00386534 1.84820687 -4.33850019 -2.80403683 0.21025124 -4.29422843 -2.98292782 1.21249533 0.90815783 -17.52641946 1.172E-9 2.6199999999E-9 5.858E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.275E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008187 0.00001831 0.000040929999999 0.00009153 609-20-1 11860 144209106 A A 2,6-Dichloro-1,4-benzenediamine Clc1cc(N)cc(Cl)c1N Tox21_201908 -NCGC00259937-01 196708409 tox21-ror-cho-viability-p1 set2 4 2.52005578 2.23934696 -1.08953135 4.93340013 4.41970555 3.02830369 1.86459815 4.88773756 1.17302325 4.11223586 -0.10605441 0.0252591 3.14838518 7.2771086 9.02539798 1.485E-9 3.3199999999E-9 7.424E-9 1.66E-8 3.712E-8 8.301E-8 1.8559999999E-7 4.1499999999E-7 9.28E-7 0.000002075 0.00000464 0.00001038 0.000023199999999 0.00005188 0.000116 2386-87-0 16949 144209586 I Cc UT-632 O=C(OCC1CC2OC2CC1)C3CCC4OC4C3 Tox21_202388 -NCGC00258798-01 196708815 tox21-ror-cho-viability-p1 set2 4 0.88147107 1.99617749 1.72571099 0.88241714 -1.03666722 -1.7682749 0.55919992 -1.29396597 2.71840252 0.22290589 -1.03572131 -0.20369097 -1.36795216 2.08017183 2.50657461 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.953E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008253 0.000018449999999 0.00004127 0.00009227 73-22-3 6305 144208444 A A l-Tryptophan O=C(O)[C@@H](N)Cc2cnc1ccccc12 Tox21_201246 -NCGC00259763-01 196708819 tox21-ror-cho-viability-p1 set2 4 -0.09212004 -0.64819491 -1.94795992 -1.05576591 2.397385 -2.18576343 -0.72122106 -1.65600876 1.18305936 -0.46887702 -0.39322015 -0.97102411 0.76421012 2.53655041 -2.01271449 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.00004117 0.000092069999999 19438-61-0 88069 144209412 A A 4-Methylphthalic anhydride Cc1ccc2C(=O)OC(=O)c2c1 Tox21_202214 -NCGC00259428-01 196708827 tox21-ror-cho-viability-p1 set2 4 -0.3345887 -2.36366985 0.78863184 -1.99272137 0.56826229 -1.32459966 -0.5490193 -0.62822354 -0.07742334 0.46426092 -0.69704127 0.34773036 -0.37739952 -3.13142585 -3.75734596 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.00009229 5026-74-4 62558 144209077 A B 4-(Diglycidylamino)phenyl glycidyl ether c2cc(OCC1CO1)ccc2N(CC3CO3)CC4CO4 Tox21_201879 -NCGC00164487-02 196713330 tox21-ror-cho-viability-p1 set2 4 -2.91806915 4.00911019 4.12233776 1.54403774 -0.27927045 -2.0809456 4.86785712 -1.39161112 -0.69601007 5.09061759 2.06509944 -1.662892 -1.71995366 2.36886135 5.58893689 5.899E-12 1.319E-11 2.949E-11 6.595E-11 1.475E-10 3.2969999999E-10 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 81-11-8 6668 170466584 F 4,4'-Diamino-2,2'-stilbenedisulfonic acid OS(=O)(=O)c2cc(N)ccc2C=Cc1ccc(N)cc1S(=O)(=O)O Tox21_112127_1 -NCGC00183108-01 196713727 tox21-ror-cho-viability-p1 set2 4 1.15395436 1.75411567 2.34371398 2.30076266 -0.21295573 2.1181677 -0.05189873 0.00905452 -0.85709271 0.27121061 -1.12938407 0.27935242 0.62174017 1.32044795 1.2796361 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104-32-5 64949 144206602 C C Propamidine N=C(N)c1ccc(cc1)OCCCOc2ccc(cc2)C(=N)N Tox21_113051 -NCGC00181350-03 196713730 tox21-ror-cho-viability-p1 set2 4 6.6824247267 -9.02064748 0.5 -8.52064748 4.9549173134 0.9076523385 0.0002209166 0.65652518 -1.20153779 -0.46910321 1.56031958 1.83739389 0.72643176 -1.33867259 0.10313375 1.13930474 1.80381691 1.83256533 0.95845041 -7.44502309 -7.23474365 -9.1838729 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 212141-54-3 151194 170466113 A Vatalanib Clc1ccc(cc1)Nc4nnc(Cc2ccncc2)c3ccccc34 Tox21_112808_1 -NCGC00016309-06 196713732 tox21-ror-cho-viability-p1 set2 4 29.8492948118 -13.271485348 -1 -14.271485348 3.0654483358 0.8779002423 0.0008913502 -0.71824765 -0.69683833 -3.32321065 -2.87809636 -0.3726259 -1.75554955 0.53783532 -1.54594193 -1.44729163 -0.76657484 -1.56844235 -0.13459225 -1.72422445 -4.337321 -11.47623779 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72-14-0 5340 170465454 A Sulfathiazole O=S(=O)(Nc1nccs1)c2ccc(N)cc2 Tox21_110363_1 -NCGC00091163-03 196711263 tox21-ror-cho-viability-p1 set2 4 4.56178316 1.16811068 4.86561619 1.05670246 -1.20494676 8.59338674 6.15964903 7.65184638 9.50587992 9.45824263 -0.00043239 5.3140175 7.86473902 7.7947362 9.74662308 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00256201-01 196710838 tox21-ror-cho-viability-p1 set2 4 61.130564862 8.0673672719 -1.0673672719 7 4.5044702849 0.5203712772 0.1645044131 2.82104051 -1.20481242 -1.53733525 -2.25272177 -4.22280606 -0.27717431 -1.26635756 0.04265561 -1.28421351 -2.56237515 1.94560193 -2.88583814 -0.78815567 0.13365252 5.97287304 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 827-95-2 70014 144212184 A A Sodium 3-nitrobenzoate [Na+].O=[N+]([O-])c1cc(ccc1)C([O-])=O Tox21_301867 -NCGC00255554-01 196710852 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -17.984001936 1 -16.984001936 4.9549173134 0.9197879835 0.0001071264 2.46620382 -0.11838865 -0.96661207 -0.42923271 1.1577936 2.89544743 1.61010669 0.5572965 0.64805429 0.62226803 1.06984988 -0.44468725 1.22745774 0.74687546 -13.73666828 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99607-70-2 93528 144211878 A A Cloquintocet-mexyl CC(CCCCC)OC(=O)COc1ccc(Cl)c2cccnc12 Tox21_301561 -NCGC00260647-01 196711256 tox21-ror-cho-viability-p1 set2 4 8.4126743008 12.5887045 0.4112955 13 0.4 0.6137399903 0.102386768 0.17142984 2.660873 -0.38713914 -0.90725375 1.37032799 -0.13891956 4.78215056 3.52662102 4.95706826 2.14903384 6.06709558 1.41540969 8.18214324 9.42325463 -1.7558792 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49543 144210300 M M NTP Mix88 ER AR1 18-EQP Tox21_203102 -NCGC00260307-01 196711265 tox21-ror-cho-viability-p1 set2 4 76.8805649772 14.2992525921 0.7007474079 15 4.9549173134 0.8331264212 0.0037647777 1.94615232 0.32043441 0.13334951 -1.49937716 0.0416716 1.34159883 0.13067888 3.42842811 1.27405293 -0.30424129 1.17533039 0.07349793 0.73648153 -0.35381591 11.06274377 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.000008236 0.00001842 0.000041179999999 0.00009208 68584-22-5 29249 144209958 F (C10-C16) Alkylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_202760 -NCGC00357245-01 196711276 tox21-ror-cho-viability-p1 set2 2.4 15.3553036427 21.1196099679 -0.1196099679 21 0.3 0.7486997383 0.0200332522 -0.51634164 1.17849594 -0.01516695 5.85518264 -0.32968546 7.06049066 5.18424642 5.15027268 6.20454749 7.71811622 8.70685815 5.10156248 8.86156051 12.00139343 16.90426929 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-74-7 7952 251919848 A Hexahydro-1,3,5-trimethyl-1,3,5-triazine CN1CN(C)CN(C)C1 Tox21_304038 -NCGC00260015-01 196711672 tox21-ror-cho-viability-p1 set2 4 1.4841442078 18.451007764 -2.451007764 16 0.3 0.8310286596 0.0038934144 0.24663972 -0.79250647 -0.44841358 -0.03449659 0.19172549 6.61588065 5.95258588 5.32845915 5.27145782 6.76791749 7.18636305 8.01956177 8.54512893 8.92279185 15.65343051 1.1469999999E-9 2.564E-9 5.734E-9 1.282E-8 2.867E-8 6.411E-8 1.434E-7 3.205E-7 7.168E-7 0.000001603 0.000003584 0.0000080139999999 0.00001792 0.00004007 0.00008959 107-06-2 11 144209664 Fns 1,2-Dichloroethane ClCCCl Tox21_202466 -NCGC00259159-01 196721473 tox21-ror-cho-viability-p1 set3 4 0.0027056292 18.652686384 -20.652686384 -2 0.4 0.4059180077 0.2671936967 -15.54390532 -13.81872722 -4.46941371 -4.43323924 -8.11171702 -11.22520259 -5.81148431 0.19259666 -4.94132415 1.19562816 -5.11119685 -7.29340968 -3.9261139 -6.51376136 -3.33967541 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 89-57-6 4075 144208808 A F 5-Aminosalicylic acid OC(=O)c1cc(N)ccc1O Tox21_201610 -NCGC00259961-01 196721458 tox21-ror-cho-viability-p1 set3 4 37.7485368809 8.082835184 -4.582835184 3.5 3.0654483358 0.5405174829 0.1457963516 -6.93796967 -5.87726669 -4.369973 0.05860336 -1.39797223 -7.56902932 -4.50932264 -4.43071449 -7.09320102 -2.74833534 -5.04890486 -3.9933365 -4.40244216 0.0037966 3.11034077 1.159E-9 2.592E-9 5.7959999999E-9 1.2959999999E-8 2.898E-8 6.48E-8 1.449E-7 3.24E-7 7.245E-7 0.00000162 0.000003622 0.0000080999999999 0.000018109999999 0.000040499999999 0.00009056 109-02-4 7972 144209610 FC 4-Methylmorpholine CN1CCOCC1 Tox21_202412 -NCGC00259769-01 196721460 tox21-ror-cho-viability-p1 set3 4 30.2332633677 14.220195252 -12.220195252 2 4.9549173134 0.5845625097 0.1084692878 -13.78231726 -7.03832038 -12.52715969 -7.82938875 -9.70816529 -15.00562838 -12.58625744 -14.26306353 -18.10016271 -4.19509359 -14.11608042 -13.87681733 -14.98745985 2.34874867 -0.34756763 1.167E-9 2.609E-9 5.8329999999E-9 1.304E-8 2.917E-8 6.522E-8 1.458E-7 3.261E-7 7.2919999999E-7 0.0000016299999999 0.000003646 0.000008152 0.00001823 0.000040759999999 0.00009115 92-69-3 7103 144209418 A A 4-Phenylphenol Oc1ccc(cc1)c2ccccc2 Tox21_202220 -NCGC00259173-01 196721461 tox21-ror-cho-viability-p1 set3 4 -7.20114041 -2.37521445 -4.31612647 -2.96159631 -0.68226419 0.09019017 -7.29136345 -10.13568743 -6.18711521 2.35558376 -4.64071069 -2.49663256 0.04267672 -0.20396634 0.67834138 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 91-76-9 7064 144208822 A A 6-Phenyl-1,3,5-triazine-2,4-diamine Nc1nc(nc(N)n1)c2ccccc2 Tox21_201624 -NCGC00259704-01 196721873 tox21-ror-cho-viability-p1 set3 4 -0.34694885 -1.2315508 -5.53254149 -1.27570951 -1.67911871 3.56982611 -5.55745851 -3.16354975 -2.01239596 4.1288943 -4.23307811 -3.77912645 -0.47051017 2.72940343 0.68117804 1.175E-9 2.626E-9 5.873E-9 1.3129999999E-8 2.936E-8 6.566E-8 1.468E-7 3.2829999999E-7 7.341E-7 0.000001641 0.0000036699999999 0.000008207 0.00001835 0.00004104 0.00009176 7632-00-0 23668193 144209353 Sodium nitrite [Na+].[O-]N=O Tox21_202155 -NCGC00254258-01 196719858 tox21-ror-cho-viability-p1 set3 -1.2 4.8557733675 -50.6671810314 -6.373185688 -57.0403667194 4.4494702849 0.9708901129 4.089E-7 -13.22120177 -15.37100373 -7.99095607 -4.9949159 -6.6628988 -5.32430895 -3.31249413 -4.95188173 -3.36606349 -1.73157497 -15.50567242 -54.6641821 -57.24618592 -53.26906004 -59.68453221 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 128-04-1 560256 144210709 AC Ac Sodium dimethyldithiocarbamate [Na+].CN(C)C([S-])=S Tox21_300391 -NCGC00091205-03 196719844 tox21-ror-cho-viability-p1 set3 4 0.0020478687 18.183115212 -20.183115212 -2 0.6 0.5785139861 0.1133007729 -13.42988254 -15.15259601 -4.72175311 -3.85160528 -9.20336715 -10.03496671 0.15013008 1.16892497 -6.20596873 -3.57991354 -1.86303937 -0.52912862 0.63159884 -2.28874522 -4.1837458 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00254127-01 196719848 tox21-ror-cho-viability-p1 set3 -2.1 61.130564862 -98.4831390589 5.1801380074 -93.3030010515 3.6272481694 0.9690204769 5.823E-7 5.71658762 9.5999076 9.6400944 10.78890572 2.36088293 10.37023841 -0.53655518 2.37034033 2.16837441 2.79646985 6.52302601 2.4314148 -0.80434585 -11.99883579 -75.60833413 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26172-55-4 33344 144210519 FC 5-Chloro-2-methyl-3(2H)-isothiazolone ClC1=CC(=O)N(C)S1 Tox21_300199 -NCGC00254246-01 196719855 tox21-ror-cho-viability-p1 set3 2.4 0.1722893406 30.816229348 -20.816229348 10 0.2 0.8198241359 0.0051272464 -11.14867863 -17.34685779 -9.55283121 -5.03463495 -8.64507113 -8.4341506 -5.49393324 -4.55704529 -1.23472255 -0.45624528 -0.47505554 -1.9397282 0.20880592 -0.25725828 6.12792999 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-94-3 7270 144210823 1,2,4,5-Tetrachlorobenzene Clc1cc(Cl)c(Cl)cc1Cl Tox21_300505 -NCGC00255069-01 196720252 tox21-ror-cho-viability-p1 set3 4 5.32871426 -1.89378708 3.49639782 -4.13078092 -1.69796219 -5.63992751 -3.55829358 -7.12626034 -6.06849923 9.05096392 9.87202127 8.54096411 -3.02734024 1.75789887 3.55911608 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-73-6 8072 144211488 A Ac 2-(Ethylamino)ethanol CCNCCO Tox21_301171 -NCGC00164127-03 196720254 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -58.2362291754 5.5 -52.7362291754 4.9549173134 0.8203631526 0.0050235061 5.7304093 4.64130548 10.43794275 9.41064813 -4.91652695 12.24918013 2.16159662 14.12776051 -4.22134567 2.42821228 0.63636782 11.94993843 6.77546362 0.23385421 -41.62387292 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00018221-08 196720259 tox21-ror-cho-viability-p1 set3 4 3.82491153 -2.04156033 -7.59999777 1.85471438 -3.98544691 -3.18251667 1.30152395 -0.44941852 1.95029454 -3.21286177 2.27662584 -0.61017736 -2.62958809 -2.82002969 3.23660157 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00357100-01 196703024 tox21-ror-cho-viability-p1 set1 4 -5.87848616 1.47699006 -0.58772359 1.7047004 0.09139207 1.31714812 -8.87911079 -0.21233126 -0.54195901 -7.81436816 -4.24830597 3.5934839 0.24781524 0.97691112 4.60560762 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-78-4 8011 251919685 A 3-Hydroxypropanenitrile N#CCCO Tox21_303822 -NCGC00253737-01 196725800 tox21-ror-cho-viability-p1 set3 4 33.4914596268 -22.5287413519 -0.5 -23.0287413519 4.0949729863 0.780998585 0.0116352499 -1.15143079 0 -1.2539525 -3.71598372 4.55777037 1.51581704 -1.15035634 5.0196486 -1.62001919 -1.97732135 -2.18260027 0.41341448 -3.09803675 -3.27232301 -18.35728446 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 155270-99-8 5311037 170466116 I F Istradefylline COc1ccc(cc1OC)/C=C/c3nc2c(C(=O)N(CC)C(=O)N2CC)n3C Tox21_113855 -NCGC00253728-01 196726203 tox21-ror-cho-viability-p1 set3 4 0.0749780386 11.295488792 0.204511208 11.5 4.9549173134 0.5023243772 0.1761525762 -0.04031915 1.4463989 -2.74624066 1.76825658 -1.17888908 1.23829801 5.4119495 15.22857088 19.70908608 1.14349429 10.19576669 23.23404384 8.5492205 2.02778356 11.92163746 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 100-76-5 7527 170466683 Z Fns Quinuclidine C1CN2CCC1CC2 Tox21_113847 -NCGC00357253-01 196703032 tox21-ror-cho-viability-p1 set1 4 -0.71742245 -0.3524161 -3.03305326 -2.45508694 -0.84154093 -0.65384139 1.71052829 0.91919535 0.39004878 -0.66071138 0.55455431 -1.79783821 -1.48136318 -0.08134425 0.29954139 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56070-16-7 41718 251919774 F Terbufos sulfone CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C Tox21_304046 -NCGC00259341-01 196703027 tox21-ror-cho-viability-p1 set1 -2.2 48.2616000528 -52.9658962269 0.851023069 -52.1148731579 1.6258976909 0.8740766336 0.0009936342 3.11998149 -0.5127495 1.76293356 0.66171309 2.83353558 -0.68492639 4.19119578 -9.7276155 5.87244116 0.81999496 2.65253888 0.43104037 -15.02837036 -16.2561548 -40.61732815 1.1739999999E-9 2.626E-9 5.871E-9 1.3129999999E-8 2.9349999999E-8 6.564E-8 1.468E-7 3.282E-7 7.339E-7 0.000001641 0.000003669 0.000008205 0.00001835 0.00004102 0.00009173 57-83-0 5994 144208990 A A Progesterone CC(=O)[C@H]2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_201792 -NCGC00091759-02 196703031 tox21-ror-cho-viability-p1 set1 4 3.37890468 2.66612609 3.1218401 -0.77907392 0.71660484 0.09278655 5.97240715 0.25622507 -0.06089513 -6.07456333 0.0769993 2.48424358 0.74565814 1.54096896 2.43492635 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00091663-03 196703035 tox21-ror-cho-viability-p1 set1 4 -0.23899681 0.61071188 -5.36486 -0.33483684 0.16680006 -7.36553914 -3.87959003 -0.39219267 0.57476333 -5.62796979 -0.42191307 -1.22363792 1.1632159 -0.50240056 1.7365601 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00260661-01 196703436 tox21-ror-cho-viability-p1 set1 4 29.8492948118 -15.6577013599 1 -14.6577013599 4.5044702849 0.7467580083 0.020713415 0.50715495 0.93589665 0.86200674 1.18391239 -1.24105281 -0.550069 6.17372546 -1.49817102 0.4923093 1.60642089 5.25300569 1.07380573 -0.08495364 -1.22532587 -12.6314178 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49557 144210314 M M NTP Mix27 AR2 2-EQP Tox21_203116 -NCGC00260044-01 196703450 tox21-ror-cho-viability-p1 set1 4 -0.03736577 2.53277999 1.70295686 -8.11413824 2.48890283 1.10295368 -0.44098209 0.81860957 -1.28171599 -0.01287516 2.08548343 -1.08088528 1.37502611 -0.92224144 0.83010147 1.196E-9 2.6729999999E-9 5.978E-9 1.337E-8 2.989E-8 6.683E-8 1.494E-7 3.3419999999E-7 7.4719999999E-7 0.000001671 0.000003736 0.0000083539999999 0.000018679999999 0.00004177 0.0000934 327-97-9 9476 144209693 A B Chlorogenic acid O[C@@H]2[C@H](O)C[C@](O)(C[C@H]2OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)O Tox21_202495 -NCGC00259866-01 196703849 tox21-ror-cho-viability-p1 set1 4 12.3461487878 -14.317870996 -2 -16.317870996 0.7999999999 0.5825132282 0.110390614 -1.78228826 -2.92883469 -8.90239099 -3.5633731 -4.86345339 -1.12280275 -1.9692111 -1.6304349 -4.64070509 -4.05443423 0.23142125 -12.23332756 -12.86293374 -10.41004409 -13.59822583 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-80-9 289 144209515 A A Catechol Oc1ccccc1O Tox21_202317 -NCGC00260397-01 196703854 tox21-ror-cho-viability-p1 set1 4 -1.93321845 1.14672306 0.48445968 1.36499857 -0.53164775 -0.16217013 -0.43888953 0.21396886 -0.079375 -0.1337686 -1.62080507 -4.80900815 8.96671055 0.11004046 0.39105141 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.00009231 590-47-6 24884197 144210049 A Betaine monohydrate O.C[N+](C)(C)CC([O-])=O Tox21_202851 -NCGC00356999-01 196703862 tox21-ror-cho-viability-p1 set1 4 0.48846568 0.3063168 3.18130345 -1.74654202 -0.24787398 -0.23992145 2.08301422 3.32414804 4.33448004 1.17882311 2.26390521 0.96717104 1.1888638 1.79774615 7.68971495 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140939-17-9 23695905 251919984 A Alachlor sec-oxanilic acid sodium salt [Na+].O=C(Nc1c(cccc1CC)CC)C([O-])=O Tox21_303888 -NCGC00259078-01 196703867 tox21-ror-cho-viability-p1 set1 -2.1 62.1889150983 -105.2953049793 -3.8871656619 -109.1824706412 2.4729283767 0.9410389014 0.0000205624 -2.42524269 -1.6617481 -6.71355711 0.94256918 -1.33072564 -7.46909485 -2.46010616 -2.04750002 -0.32192167 -2.03789439 1.15766371 -16.75146714 -18.05112659 -26.35172264 -82.71399291 1.197E-9 2.676E-9 5.9839999999E-9 1.338E-8 2.992E-8 6.69E-8 1.496E-7 3.345E-7 7.48E-7 0.000001673 0.00000374 0.000008363 0.000018699999999 0.000041819999999 0.0000935 84852-15-3 338733 144208726 A A 4-Nonylphenol, branched Oc1ccc(CCCCCCC(C)C)cc1 Tox21_201528 -NCGC00260237-01 196711740 tox21-ror-cho-viability-p1 set2 4 0.58550412 1.01625441 -0.61080007 1.40040126 -0.3605707 1.38365881 4.53989834 2.09943842 2.85256406 3.25541599 3.91504058 4.18788588 4.22998912 1.32533813 8.02168316 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.000018359999999 0.000041049999999 0.000091779999999 32353-64-3 11995188 144209887 A Z 1-Butyl-4-methylpyridinium iodide [I-].Cc1cc[n+](CCCC)cc1 Tox21_202689 -NCGC00357094-01 196711331 tox21-ror-cho-viability-p1 set2 -2.4 54.4826732819 -32.936081272 -4 -36.936081272 2.7202212143 0.6600801243 0.0582123193 -4.8598591 0.19986143 0.47033701 -10.20468854 0.60411853 0.8862182 -8.30280212 -12.49050174 -3.5765098 -6.86603078 -12.84392396 0.68258318 0.47293278 -16.34165573 -30.36340106 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2648-61-5 72870 251919892 F 2,2-Dichloro-1-phenylethanone O=C(C(Cl)Cl)c1ccccc1 Tox21_303816 -NCGC00260517-01 196711725 tox21-ror-cho-viability-p1 set2 4 43.0131963229 16.81576192 1.18423808 18 1.0999999999 0.8119476405 0.0062063405 0.57839108 3.09044146 -0.6798016 0.85442627 -0.48408173 -0.45285003 1.36537038 3.59601175 0.2753774 5.84341061 -0.03117627 3.2048577 4.50986782 9.17603039 15.22217486 1.1739999999E-9 2.626E-9 5.871E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.282E-7 7.339E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.000091739999999 153-78-6 1539 144210169 A A 2-Aminofluorene Nc1ccc2c3ccccc3Cc2c1 Tox21_202971 -NCGC00260363-01 196711728 tox21-ror-cho-viability-p1 set2 4 2.1178976921 19.885245456 0.114754544 20 0.2 0.5841637094 0.1097634349 1.29063193 3.27507412 -0.32103788 3.39817609 4.57108692 6.87561125 7.8493809 7.02862151 7.96351747 4.53584566 5.2886188 8.21758014 5.37849846 9.01840736 15.29234772 5.91E-11 1.322E-10 2.955E-10 6.608E-10 1.4779999999E-9 3.3039999999E-9 7.3879999999E-9 1.652E-8 3.694E-8 8.26E-8 1.847E-7 4.1299999999E-7 9.2349999999E-7 0.0000020649999999 0.000004618 25389-94-0 441374 144210015 Fns Kanamycin A sulfate O=S(=O)(O)O.O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CN)O[C@@H]3O[C@H]2[C@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O)[C@H](N)C[C@@H]2N Tox21_202817 -NCGC00260484-01 196712143 tox21-ror-cho-viability-p1 set2 4 62.5631710251 20.0680390119 -1.0680390119 19 4.5044702849 0.8330936488 0.0036812847 -0.56897734 0.11871379 -2.56787395 -2.70275706 -4.42866519 -0.89500254 0.23944086 -0.52111587 -4.64003251 3.27776501 0.27488756 -0.1648027 0.2341337 1.65652138 16.26112478 1.203E-9 2.69E-9 6.014E-9 1.345E-8 3.007E-8 6.7239999999E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003759 0.0000084049999999 0.000018789999999 0.00004202 0.00009397 63041-77-0 44368 144210136 A F 7-Methylbenzo(a)pyrene Cc5cccc1c5cc2ccc4cccc3ccc1c2c34 Tox21_202938 -NCGC00260093-01 196712152 tox21-ror-cho-viability-p1 set2 -2.4 68.1713220381 -29.807356492 -4.04949516 -33.856851652 0.8999999999 0.7793615205 0.0119572031 -1.49089412 -2.13806055 -4.84514156 -5.61549195 -2.01450242 -1.65023034 -0.8745793 -9.96357405 -3.91108186 -9.11783964 -6.82790415 -8.65410538 -10.89940974 -11.44325461 -24.88070971 1.1739999999E-9 2.626E-9 5.871E-9 1.3129999999E-8 2.936E-8 6.564E-8 1.468E-7 3.282E-7 7.339E-7 0.000001641 0.000003669 0.000008205 0.00001835 0.00004103 0.000091739999999 9002-93-1 5590 144209742 F Ac Triton X-100 CC(C)(C)CC(C)(C)c1ccc(OCCO)cc1 Tox21_202544 -NCGC00163815-04 196712160 tox21-ror-cho-viability-p1 set2 -3 82.0735505757 -66.6203846875 -5.743136611 -72.3635212985 4.9549173134 0.7500100578 0.0194259314 -0.97294751 -5.67263979 -12.85786342 -7.25273511 -4.76155222 0 -6.87364825 -25.86010537 -14.33761288 -10.29745625 0 0 0 -1.35758754 -57.43136611 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00163724-03 196712161 tox21-ror-cho-viability-p1 set2 -2.4 48.5577336745 -26.2779191239 -3.456543744 -29.7344628679 0.9999999999 0.7398404894 0.0227249746 -0.38045312 -4.79376827 -6.4160503 -1.02509932 -2.28677006 -1.83314188 -3.00863426 -1.24775336 -3.28835445 -8.27608739 -13.04818428 -3.04741198 -6.81453491 -15.72632563 -23.11205239 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00260414-01 196712163 tox21-ror-cho-viability-p1 set2 4 2.32889223 0.73174071 -0.96536184 2.73388942 3.69399098 2.64378363 2.1210632 4.3667526 1.70087823 0.76526137 4.35012057 3.77457777 10.62907394 -2.01008909 12.9409698 1.204E-9 2.6909999999E-9 6.018E-9 1.346E-8 3.009E-8 6.729E-8 1.5049999999E-7 3.3639999999E-7 7.523E-7 0.000001682 0.000003761 0.000008411 0.000018809999999 0.000042049999999 0.00009404 7447-39-4 169664 144210066 Copper(II) chloride [Cu+2].[Cl-].[Cl-] Tox21_202868 -NCGC00016806-13 196712573 tox21-ror-cho-viability-p1 set2 -2.2 11.8832183006 -47.0011352489 1.802139057 -45.1989961919 0.9999999999 0.9637208026 0.0000014209 1.36898109 1.75295166 5.96926917 0.6857886 0.34832979 -0.11665104 6.2913887 -1.17885924 0.71150721 -4.59106396 -7.33005168 -7.86372425 -18.98377215 -27.98729103 -37.66583016 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 31431-39-7 4030 170464914 A Mebendazole O=C(OC)Nc1nc2cc(ccc2n1)C(=O)c3ccccc3 Tox21_110620_1 -NCGC00255410-01 196727971 tox21-ror-cho-viability-p1 set3 4 0 0.76613812 2.18812178 -0.79729405 -0.48776657 2.75478255 2.02452577 2.16710875 0.69574637 -5.09456444 1.67360951 -1.31971323 -2.50806214 1.16547164 -0.32818878 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 163520-33-0 6451155 144211570 A A Isoxadifen-ethyl CCOC(=O)C=1CC(ON=1)(c2ccccc2)c3ccccc3 Tox21_301253 -NCGC00017331-08 196713338 tox21-ror-cho-viability-p1 set2 4 -6.17862939 -4.63361639 -2.43082226 -6.41778451 -2.85149063 -6.07530371 -3.6612685 -4.10535317 -2.1904797 -1.64471444 -2.35488231 0.10448917 1.04342614 0.06547412 0.38616353 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 490-46-0 72276 170465932 A (-)-Epicatechin Oc1ccc(cc1O)[C@H]2Oc3cc(O)cc(O)c3C[C@H]2O Tox21_110101_1 -NCGC00182543-02 196712525 tox21-ror-cho-viability-p1 set2 4 0.56581233 0.57288716 3.43602784 2.06640326 2.73876551 4.95639072 4.21738162 0.51711889 1.71374761 1.68653438 -0.10556553 -1.93140351 2.87569509 -4.1130726 2.11509049 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14293-44-8 26618 170466623 A Xipamide O=S(N)(=O)c1cc(c(O)cc1Cl)C(=O)Nc2c(C)cccc2C Tox21_112975_1 -NCGC00182061-03 196712528 tox21-ror-cho-viability-p1 set2 4 -0.21546518 -1.40811624 0.71129752 0.24010605 -0.15557456 -0.64904707 -3.75790727 -0.14047689 0.19556743 0.67247812 -0.57729217 0.05840364 1.14258259 -0.63718675 0.53754724 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 20684-06-4 68549 170466079 A Bamifylline Hydrochloride Cl.CCN(CCO)CCn2c3C(=O)N(C)C(=O)N(C)c3nc2Cc1ccccc1 Tox21_113133_1 -NCGC00177979-05 196713337 tox21-ror-cho-viability-p1 set2 4 29.8492948118 -15.9579793199 1.5 -14.4579793199 4.0949729863 0.7445398866 0.0214206221 3.57536706 -1.62883541 2.56404319 2.29395238 -0.57415571 4.28347295 -1.93925474 0.59983947 -0.97700607 4.27088857 3.29280518 2.5988738 0.62200239 -1.16633333 -12.0483161 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79307-93-0 54360 170465172 A Azelastine hydrochloride Cl.Clc1ccc(cc1)CC3=NN(C(=O)c2ccccc23)C4CCCN(C)CC4 Tox21_111469_1 -NCGC00178697-04 196713342 tox21-ror-cho-viability-p1 set2 4 0.3057886 2.16369085 -2.20847354 0.85234444 -0.30278742 -0.02498137 -0.27786545 1.11666906 -0.38713416 -0.35235033 -0.53902446 -3.12719439 0.56724895 0.61543703 0.21116837 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 100286-90-6 74990 170464824 A Irinotecan Cl.CC[C@]3(O)C=4C=C5c6nc7ccc(OC(=O)N1CCC(CC1)N2CCCCC2)cc7c(CC)c6CN5C(=O)C=4COC3=O Tox21_111479_1 -NCGC00181306-04 196713349 tox21-ror-cho-viability-p1 set2 4 0.0211316824 -7.9819894879 6 -1.9819894879 0.8999999999 0.4307192471 0.2435549495 3.51200149 8.39462748 4.95601904 3.61659394 -0.26757908 2.47607733 2.66301443 0.79477316 -1.01412227 -8.73499124 -8.6273917 0.33368379 0.3173438 2.11712641 0.28192055 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 114977-28-5 148124 170464919 I Docetaxel CC(C)(C)OC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]5C[C@@]6(O)[C@@H](OC(=O)c2ccccc2)[C@H]4[C@@](C)([C@@H](O)C[C@H]3OC[C@]34OC(C)=O)C(=O)[C@H](O)C(=C5C)C6(C)C Tox21_112781_1 -NCGC00179308-04 196713758 tox21-ror-cho-viability-p1 set2 -2.4 5.9557173066 -36.4598218599 15 -21.4598218599 0.3 0.825620954 0.0044270306 13.55630895 14.5770378 11.09591556 11.29440415 9.98127487 0.810103 8.91888454 10.54796867 2.57981966 -0.49492466 0.62344396 -1.82169858 -0.24084935 -4.28440773 -14.54985155 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80474-14-2 54580 170464975 A Fluticasone propionate O=C(SCF)[C@@]4(OC(=O)CC)[C@H](C)C[C@H]3C2C[C@H](F)C1=CC(=O)C=C[C@]1(C)[C@@]2(F)[C@@H](O)C[C@@]34C Tox21_110698_1 -NCGC00090868-05 196713776 tox21-ror-cho-viability-p1 set2 4 -3.68942262 -6.50158686 -5.8961436 -5.83153906 3.55702828 1.32216132 -0.29809852 -2.35794458 -3.70055722 -3.91251236 2.17474386 -4.05044616 -5.56820654 -3.75449626 2.38872246 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 151-67-7 3562 170464645 F Halothane BrC(Cl)C(F)(F)F Tox21_111033_1 -NCGC00091261-03 196714168 tox21-ror-cho-viability-p1 set2 4 0.02004786 -0.05189515 0.33956107 0 1.85279351 1.37349723 0.69155353 2.39888578 3.74967414 1.4194339 1.77225442 2.89942672 3.86438298 1.94161118 1.45891107 1.1699999999E-9 2.6159999999E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.539E-8 1.462E-7 3.269E-7 7.311E-7 0.000001635 0.0000036549999999 0.000008173 0.00001828 0.000040869999999 0.00009138 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00254791-01 196714172 tox21-ror-cho-viability-p1 set2 -3 82.9825193926 -54.1478355746 -2.582709031 -56.7305446056 4.9549173134 0.9578878974 0.0000032683 -3.56230427 -5.16393547 -2.83962426 -4.4713146 -2.89828924 -2.76532834 0.57667773 -0.51090418 -1.28874415 -1.12903575 -1.25484207 -8.91305745 -1.23974493 -5.30899961 -45.25041258 1.3829999999E-9 3.092E-9 6.913E-9 1.5459999999E-8 3.457E-8 7.729E-8 1.728E-7 3.8649999999E-7 8.6409999999E-7 0.000001932 0.000004321 0.000009661 0.0000216 0.00004831 0.000108 83657-24-3 6436605 144211204 A A Diniconazole OC(\C(=C/c1ccc(Cl)cc1Cl)n2cncn2)C(C)(C)C Tox21_300887 -NCGC00255206-01 196710450 tox21-ror-cho-viability-p1 set2 4 0.0769588215 -5.119159624 1.5 -3.619159624 4.9549173134 0.5340689007 0.1671026987 0.19902012 1.45034075 0.05329182 0.66504244 3.82209838 0.63523304 -6.02679827 -4.68547371 -0.81455515 0.42533646 -4.80086225 -7.18263302 -0.82355617 -4.81578501 2.85400797 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-51-3 7094 144212421 A Fns Dicyclohexyl C1CC(CCC1)C2CCCCC2 Tox21_302104 -NCGC00255812-01 196710044 tox21-ror-cho-viability-p1 set2 4 -3.9347869 0.36306171 -0.06280152 0.18197712 -0.81086139 0.34250297 -0.01424644 -7.74725904 -4.17375395 -1.08187149 -0.55478968 0.16105973 -3.32735893 -7.64117873 -0.42528913 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4246-51-9 20239 144211826 F F 3,3'-[Oxybis(ethane-2,1-diyloxy)]dipropan-1-amine NCCCOCCOCCOCCCN Tox21_301509 -NCGC00259607-01 196721486 tox21-ror-cho-viability-p1 set3 4 -7.79408053 -5.55103468 -4.70687398 2.71388802 -6.66971993 -6.70791454 -7.91091518 -7.90506353 -5.45788872 -4.58451766 -5.91510829 -5.15750475 -4.71523113 -2.87079307 -1.57987531 1.177E-9 2.6319999999E-9 5.886E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.000003679 0.000008225 0.00001839 0.00004113 0.00009196 584-84-9 11443 144209256 D Toluene-2,4-diisocyanate O=C=N/c1cc(ccc1C)\N=C=O Tox21_202058 -NCGC00090760-08 196721485 tox21-ror-cho-viability-p1 set3 -2.4 68.1713220381 -31.17879896 -4 -35.17879896 4.9549173134 0.8700724469 0.0011586844 -5.85608954 -5.15955293 -3.7793065 3.33296038 -2.94555456 -5.28025585 -6.34377485 -5.73210908 -6.91481486 -3.30909458 -5.74682073 -5.21536252 -3.76362706 -4.68591108 -29.3156658 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00259951-01 196721490 tox21-ror-cho-viability-p1 set3 4 38.6100067189 6.7997704519 -4.7997704519 2 4.5044702849 0.377860002 0.2970286184 -6.93652314 -6.52034179 -1.20554084 0.01979938 -2.42691731 -3.80327909 -5.81731196 -5.94364557 -8.99980871 -2.62835016 -6.08167835 -4.75031985 -4.63910912 -0.83424209 1.62421636 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.00004125 0.000092249999999 64-67-5 6163 144209600 A F Diethyl sulfate O=S(=O)(OCC)OCC Tox21_202402 -NCGC00259602-01 196721882 tox21-ror-cho-viability-p1 set3 -2.2 17.1763845836 -32.2929293532 -4 -36.2929293532 1.4641 0.8965664667 0.0003814723 -6.78973532 -9.98183084 -0.8065379 -7.13526835 -1.52421133 -2.93599538 -4.96922287 -4.77964684 -2.5861637 0.52545899 -5.63137611 -11.76524885 -24.91516662 -24.23506496 -33.55524951 1.177E-9 2.6319999999E-9 5.884E-9 1.316E-8 2.942E-8 6.579E-8 1.471E-7 3.29E-7 7.356E-7 0.000001645 0.0000036779999999 0.000008224 0.00001839 0.000041119999999 0.000091939999999 103-11-7 7636 144209251 AC F 2-Ethylhexyl acrylate O=C(C=C)OCC(CCCC)CC Tox21_202053 -NCGC00259904-01 196721884 tox21-ror-cho-viability-p1 set3 4 33.504132776 9.769149572 -3.769149572 6 4.0949729863 0.5596019653 0.1288953969 -6.53591562 -2.06392649 -2.14115088 2.39459626 -2.46148591 -7.72429131 -4.41730792 -4.44167584 -4.59306484 -0.52528525 -5.18747317 -6.53092251 -2.80692405 3.00488867 5.69421626 1.155E-9 2.582E-9 5.7739999999E-9 1.291E-8 2.887E-8 6.4549999999E-8 1.443E-7 3.2279999999E-7 7.217E-7 0.000001614 0.0000036089999999 0.000008069 0.000018039999999 0.00004035 0.00009022 142-46-1 2724564 144209553 A 2,5-Dithiobiurea NC(=S)NNC(N)=S Tox21_202355 -NCGC00259688-01 196721888 tox21-ror-cho-viability-p1 set3 -2.2 34.5161257776 -38.313714296 -3 -41.313714296 0.8999999999 0.9208873579 0.000097759 -7.13014274 -3.33643562 -3.40920647 1.33436409 -1.73954913 -4.80942742 -4.78834773 1.65326872 -3.36711308 -5.45129277 -10.34816944 -11.88442961 -15.32754692 -21.54642123 -32.76142858 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.397E-7 0.0000016539999999 0.0000036989999999 0.0000082699999999 0.000018489999999 0.00004135 0.00009247 6459-94-5 5479172 144209337 Z Z C.I. Acid Red 114 [Na+].[Na+].[O-]S(=O)(=O)c5cc(cc6ccc(O)c(/N=N/c1ccc(cc1C)c4ccc(/N=N/c3ccc(OS(=O)(=O)c2ccc(C)cc2)cc3)c(C)c4)c56)S([O-])(=O)=O Tox21_202139 -NCGC00258901-01 196721898 tox21-ror-cho-viability-p1 set3 -2.4 61.8773215692 -31.023132876 -2 -33.023132876 3.5117481694 0.7998404629 0.0079947584 2.41451254 -2.33623369 -10.17759896 -6.31255083 -2.30506368 -2.83349045 -1.86721238 -2.46239763 -1.95523692 2.33095754 -0.11706169 2.26823966 0.2696725 -8.65858126 -27.10261073 1.1919999999E-9 2.6649999999E-9 5.96E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.332E-7 7.45E-7 0.0000016659999999 0.000003725 0.000008329 0.00001862 0.000041649999999 0.00009312 13048-33-4 25644 144208547 A A 1,6-Hexanediol diacrylate C=CC(=O)OCCCCCCOC(=O)C=C Tox21_201349 -NCGC00257208-01 196718597 tox21-ror-cho-viability-p1 set2 -2.3 34.3762428541 -84.1285056022 -0.173949969 -84.3024555712 2.9522712143 0.9852255537 0.7823273916 -0.35337252 -0.28973839 1.19486082 -1.12657167 1.39775613 1.77457697 0.7866639 3.85885153 0.36946764 -4.8059362 -5.77614504 -59.29682226 -12.62685548 75.17707715 -77.88064816 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3524-68-3 19042 144213569 D Pentaerythritol triacrylate O=C(C=C)OCC(COC(=O)C=C)(CO)COC(=O)C=C Tox21_303252 -NCGC00090704-03 196717775 tox21-ror-cho-viability-p1 set2 4 0.14287016 0.140411 2.3914216 1.24973386 6.44887244 3.59796607 5.04545544 3.96756212 2.0009234 4.14864645 2.98110555 3.36891354 5.01264269 3.0714488 6.70194336 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00256541-01 196718172 tox21-ror-cho-viability-p1 set2 -2.4 15.3553036427 -23.158624636 1 -22.158624636 1.6266150999 0.9231966762 0.0000839265 0.28850905 0.23820433 0.32691199 -0.25214518 0.46150052 2.81530413 -0.28557132 5.56700376 3.10466576 -0.02998313 -5.00129794 -1.21913316 -13.60793998 -18.07269954 -20.96552053 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 320-67-2 9444 144213302 A B 5-Azacytidine NC1=NC(=O)N(C=N1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O Tox21_302985 -NCGC00256637-01 196718596 tox21-ror-cho-viability-p1 set2 -3 69.8159536282 -88.1390323752 2.3851344313 -85.7538979439 4.9549173134 0.5948562326 0.10026103 -0.62054059 0.60720814 -5.75980969 -5.20229442 -4.33591359 -3.84805735 -2.49301898 -0.26164342 -2.40518168 -8.49805734 -4.19276673 0.69292379 47.79513995 24.18172585 -71.46158162 1.088E-9 2.4329999999E-9 5.44E-9 1.216E-8 2.72E-8 6.082E-8 1.36E-7 3.041E-7 6.8E-7 0.000001521 0.0000033999999999 0.0000076029999999 0.000017 0.00003801 0.000084999999999 3697-42-5 9571016 144213006 Z A Chlorhexidine dihydrochloride Cl.Cl.Clc2ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)cc2 Tox21_302689 -NCGC00160395-04 196705096 tox21-ror-cho-viability-p1 set1 4 -3.36746257 -1.87276127 0.60793012 -3.50360052 -1.43088351 -0.10339658 6.2364009 0.13197285 -6.54479437 -2.07246905 1.5637416 0.62853212 0.95373685 1.16526173 -1.9775265 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 315-80-0 443945 170466001 A Dibenzepin hydrochloride Cl.CN(C)CCN3c1ccccc1N(C)c2ccccc2C3=O Tox21_111784_1 -NCGC00160657-03 196705114 tox21-ror-cho-viability-p1 set1 4 0.22558023 -1.00314731 -3.86427243 -3.07694409 -1.27833935 -20.43630244 -0.96614121 5.34168413 -0.77726087 0.56097179 0.61469549 -15.43355961 -0.48285998 -0.15226136 -21.93307246 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26130-02-9 33334 170466453 A Frentizole COc2ccc3nc(NC(=O)Nc1ccccc1)sc3c2 Tox21_111964_1 -NCGC00016795-11 196705517 tox21-ror-cho-viability-p1 set1 4 -2.44128254 0.600834 -3.33360211 -3.33672048 -3.34774429 -0.40852165 -1.4520811 -3.53349664 -4.02200161 3.52949545 -2.80505977 1.76837648 1.9772074 1.32296808 0.13923789 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25953-17-7 33254 170466172 A Minaprine dihydrochloride Cl.Cl.Cc2cc(nnc2NCCN1CCOCC1)c3ccccc3 Tox21_111355_1 -NCGC00166124-03 196705520 tox21-ror-cho-viability-p1 set1 4 0.22593209 -0.09640516 -3.04239761 -1.8801931 0.5145495 4.15067812 0.74451711 -0.45076133 0.77624703 -1.15061727 -0.729922 3.80430526 -0.98648766 0.81345316 -0.47880708 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103-41-3 7652 170465584 F Benzyl cinnamate O=C(OCc1ccccc1)C=Cc2ccccc2 Tox21_112329_1 -NCGC00167569-01 196705524 tox21-ror-cho-viability-p1 set1 4 0.19275151 0.26064232 -0.52705391 0.28944334 -0.22578553 -2.81631863 -2.73330556 1.65021999 -0.60633586 -0.04465094 -3.36688361 0.08680802 -0.20801249 0.68009893 -6.4471264 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3735-85-1 3045407 144206117 A A Mefeserpine COc1ccc(cc1)OCC(=O)O[C@@H]3C[C@@H]4CN5CCc2c6ccc(OC)cc6nc2[C@H]5C[C@@H]4[C@@H]([C@H]3OC)C(=O)OC Tox21_112564 -NCGC00259149-01 196705927 tox21-ror-cho-viability-p1 set1 4 -11.57018589 -3.76965549 -9.61407935 -10.06185099 -0.72375137 2.7624671 -4.38407956 -3.12256291 -1.71126793 -14.0692758 4.56287894 0.40755936 -5.79771372 1.84108347 5.00676719 1.206E-9 2.697E-9 6.0309999999E-9 1.349E-8 3.016E-8 6.743E-8 1.5079999999E-7 3.371E-7 7.539E-7 0.0000016859999999 0.000003769 0.000008429 0.00001885 0.00004214 0.000094239999999 60-80-0 2206 144208798 A A Phenazone O=C2C=C(C)N(C)N2c1ccccc1 Tox21_201600 -NCGC00259222-01 196705930 tox21-ror-cho-viability-p1 set1 4 2.21589829 -9.51113522 0.78183325 0.90319593 0.18209587 4.71565372 1.26963528 2.04984322 0.30623102 3.44296609 0.84850638 0.08602382 2.92921991 -0.39705257 2.94467292 1.166E-9 2.608E-9 5.832E-9 1.304E-8 2.9159999999E-8 6.521E-8 1.458E-7 3.26E-7 7.2899999999E-7 0.0000016299999999 0.000003645 0.0000081509999999 0.00001823 0.00004075 0.000091129999999 50-24-8 5755 144208871 A A Prednisolone OCC(=O)[C@@]4(O)CC[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_201673 -NCGC00256639-01 196707201 tox21-ror-cho-viability-p1 set1 4 -4.34627927 -1.92691807 -5.29007056 -5.0991157 -0.40516107 -7.14930817 -2.25333872 -3.31569318 -2.29547747 0.0707159 0.22586008 -2.37259067 -8.66290399 -7.22653343 -1.4062378 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 697-82-5 12769 144213033 A F 2,3,5-Trimethylphenol Cc1cc(C)cc(O)c1C Tox21_302716 -NCGC00259058-01 196706389 tox21-ror-cho-viability-p1 set1 4 0.0030637859 -10.371563776 9 -1.371563776 0.4999999999 0.3911473758 0.2995867229 6.44657541 3.23431957 0.98868934 2.63951546 2.70846523 1.3222187 -1.12089207 1.47914682 0.55148325 -9.05963648 -1.2016877 0.85309475 1.50468786 -0.94214491 2.22290369 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1156-19-0 5503 144208705 A A Tolazamide Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2 Tox21_201507 -NCGC00259606-01 196706791 tox21-ror-cho-viability-p1 set1 4 68.4501412252 -27.94277198 1 -26.94277198 1.01 0.6757609639 0.0499227014 -0.89887065 1.64988722 -0.68205412 1.00196455 2.46253436 6.2526458 -1.71093239 1.38997243 0.97990853 0 -2.49659988 -1.12828534 -10.69517545 -1.452181 -19.11897665 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.3169999999E-8 2.944E-8 6.583E-8 1.472E-7 3.2919999999E-7 7.3599999999E-7 0.0000016459999999 0.00000368 0.0000082289999999 0.000018399999999 0.00004115 0.000092 50-28-2 5757 144209255 A A 17beta-Estradiol Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)CC[C@@H]12)c4cc3 Tox21_202057 -NCGC00258852-01 196706804 tox21-ror-cho-viability-p1 set1 4 -10.39484805 -8.76855913 -11.24022026 -12.84053307 -9.61782935 -10.58424324 -11.67602575 -13.49283571 -8.68289199 -11.39527569 4.08489315 -13.71678682 -12.65129331 -16.30489011 -10.48144923 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.000018359999999 0.000041049999999 0.000091779999999 77501-63-4 62276 144208498 A A Lactofen Clc2cc(ccc2Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+]([O-])=O)C(F)(F)F Tox21_201300 -NCGC00357078-01 196724683 tox21-ror-cho-viability-p1 set3 4 -17.10199659 -2.99996824 0.18617013 -9.75776308 -0.13319451 -8.61239043 -3.25942237 1.39380725 1.55937647 -13.68831023 -0.14141909 -2.93787488 2.10079849 1.67093771 3.44809555 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-48-8 6645 251919950 A Methyl toluene-4-sulfonate COS(=O)(=O)c1ccc(C)cc1 Tox21_303790 -NCGC00260320-01 196724672 tox21-ror-cho-viability-p1 set3 4 -4.97878091 -3.70784615 -3.03281192 -1.80032833 -2.10548373 -0.51480792 6.16457882 2.0174196 4.32492446 -0.27964088 -3.69542011 -4.01573271 -3.86223239 -3.21175879 6.01748099 5.94E-11 1.328E-10 2.97E-10 6.641E-10 1.485E-9 3.321E-9 7.4249999999E-9 1.66E-8 3.712E-8 8.301E-8 1.8559999999E-7 4.151E-7 9.281E-7 0.000002075 0.000004641 15721-78-5 85069 144209971 A 4,4'-bis(1,1,3,3-Tetramethylbutyl)diphenylamine CC(C)(C)CC(C)(C)c1ccc(cc1)Nc2ccc(cc2)C(C)(C)CC(C)(C)C Tox21_202773 -NCGC00260402-01 196724674 tox21-ror-cho-viability-p1 set3 4 0.1109219499 4.595486448 -2.595486448 2 1.826479391 0.4858787367 0.194017316 -4.79937897 -1.08405866 0.16906265 -6.32957204 -0.99854136 -1.73448269 0.53349479 1.03904014 4.46402943 -0.17847812 2.18120139 4.17037526 -2.33765199 2.90568181 1.89109385 1.1999999999E-9 2.684E-9 6.001E-9 1.3419999999E-8 3.0009999999E-8 6.71E-8 1.5E-7 3.355E-7 7.5019999999E-7 0.000001677 0.0000037509999999 0.000008387 0.00001875 0.000041939999999 0.000093769999999 616-09-1 92821 144210054 A Propanoic acid,2-hydroxy-,propylester CC(O)C(=O)OCCC Tox21_202856 -NCGC00260328-01 196724675 tox21-ror-cho-viability-p1 set3 4 0.0121723477 12.2904897559 -5.2904897559 7 0.5999999999 0.7060596619 0.0358566819 -4.82540813 0.72822306 0.38452111 0.3300475 1.23039514 3.21046453 2.94473555 8.67166527 4.22853503 8.23098421 9.74266458 3.74100194 8.61443091 3.4152813 7.0127594 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.00004117 0.000092069999999 140-79-4 8819 144209980 A Z Dinitrosopiperazine O=NN1CCN(N=O)CC1 Tox21_202782 -NCGC00090789-02 196714999 tox21-ror-cho-viability-p1 set2 4 0.73125986 0.40115451 2.69097201 0.81167801 -0.2210022 0.61950338 2.38728058 0.66787489 0.52480391 0.09664014 2.1049988 6.05334406 7.10870325 2.44111069 6.6474377 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00254376-01 196714585 tox21-ror-cho-viability-p1 set2 4 2.45505103 0.12305025 1.05370033 -0.07184811 1.29303215 0.91341416 -0.71590769 1.078215 2.23519296 4.84568382 1.58789939 1.98241093 0.2171185 -1.49931584 -1.49003343 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.00000369 0.000008252 0.000018449999999 0.000041259999999 0.00009226 134002-60-1 9956127 144210778 F CP-085958 O=C(O)c1cccc(c1)C[C@@H]2COc3ccc(cc3[C@@H]2O)OCc4nc5cc(F)ccc5s4 Tox21_300460 -NCGC00257527-01 196714594 tox21-ror-cho-viability-p1 set2 4 -0.64391055 1.980259 -1.43746902 -0.11909053 -2.34323668 -0.29163133 0.11085485 -0.19443375 -2.05322904 -0.98316643 -0.37606931 -0.00895391 4.63826902 1.92055763 5.67059799 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 118-93-4 8375 144211436 A Ac 2-Hydroxyacetophenone O=C(C)c1ccccc1O Tox21_301119 -NCGC00254267-01 196715000 tox21-ror-cho-viability-p1 set2 4 0.0611305649 -7.2410310679 -0.5 -7.7410310679 1.78848746 0.4913491723 0.1871233646 1.67908379 -2.44729762 -0.13981173 -0.59304352 -4.45706814 -2.10299556 -6.67145475 -9.93458616 -9.20088603 -13.11752589 -10.20695411 -0.05954112 -8.03353431 -3.82594481 -5.99932712 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-14-8 8094 144210660 A A Heptanoic acid CCCCCCC(=O)O Tox21_300342 -NCGC00255015-01 196715008 tox21-ror-cho-viability-p1 set2 4 0.20245627 0.13402729 1.26299366 0.32997511 0.30332952 0.17821094 0.6442252 0.13725125 0.1522777 0.59848452 0.18213498 -0.46409002 3.06380969 0.76450491 3.47803134 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-13-5 7738 144211432 A A (4-Methoxyphenyl)methanol COc1ccc(CO)cc1 Tox21_301115 -NCGC00254569-01 196715010 tox21-ror-cho-viability-p1 set2 4 9.6885416101 7.06170944 -5.56170944 1.5 1.0999999999 0.4429308299 0.2330085513 -4.38011975 -3.02222911 -3.84945532 -3.75970715 -4.83946719 -9.2180912 -8.31869629 -8.60884857 -7.39923869 -0.26417547 -5.09178768 -0.7374056 -4.50839812 3.75363543 -0.12016009 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1918-00-9 3030 144210978 A A Dicamba COc1c(c(Cl)ccc1Cl)C(=O)O Tox21_300661 -NCGC00254676-01 196715022 tox21-ror-cho-viability-p1 set2 -1.1 19.0170687437 -96.4580300753 0.3165239139 -96.1415061614 1.92824246 0.9860741429 5.8E-9 1.71884427 1.05854312 -0.00482681 -0.05235609 -0.0620868 0.78830087 1.8446749 -0.30064085 4.75006325 1.07621583 -8.42416885 -19.49422575 -40.21690719 -86.15980744 -87.08469761 1.164E-9 2.602E-9 5.819E-9 1.301E-8 2.909E-8 6.506E-8 1.4549999999E-7 3.253E-7 7.274E-7 0.0000016259999999 0.0000036369999999 0.000008132 0.00001818 0.000040659999999 0.00009092 133-06-2 8606 144211089 A A Captan ClC(Cl)(Cl)SN2C(=O)C1CC=CCC1C2=O Tox21_300772 -NCGC00258704-01 196715418 tox21-ror-cho-viability-p1 set2 4 0.88262493 4.9267183 4.36547171 4.08995977 3.3452961 0.52516796 5.77337988 3.91022866 2.74109206 1.14646762 1.67251741 1.9410293 0.68986592 0.90180542 0.47325 1.2359999999E-9 2.764E-9 6.18E-9 1.382E-8 3.09E-8 6.9099999999E-8 1.545E-7 3.4549999999E-7 7.7249999999E-7 0.000001727 0.000003863 0.000008637 0.000019309999999 0.00004319 0.000096569999999 286-20-4 9246 144208350 D Cyclohexene oxide C1CCCC2OC12 Tox21_201152 -NCGC00260523-01 196712127 tox21-ror-cho-viability-p1 set2 -2.4 5.8709669031 -20.829918392 0 -20.829918392 2.4063783767 0.7882361049 0.0138499295 5.2817691 -0.42076635 -1.40493376 -1.49866787 -0.78260055 -0.80220849 1.81146119 3.87326872 -0.03569894 -0.68503903 -3.40262165 -3.07583894 -3.30800969 -20.69159866 2.78506673 2.9779999999E-10 6.658E-10 1.489E-9 3.329E-9 7.4439999999E-9 1.665E-8 3.722E-8 8.323E-8 1.8609999999E-7 4.161E-7 9.3049999999E-7 0.000002081 0.0000046529999999 0.0000104 0.00002326 10102-18-8 24934 144210175 Sodium selenite [Na+].[Na+].[O-][Se]([O-])=O Tox21_202977 -NCGC00260095-01 196711720 tox21-ror-cho-viability-p1 set2 -2.2 53.98439941 -53.0851396789 -1.381007437 -54.4661471159 2.4063783767 0.8991008045 0.0003368325 1.40148371 -1.01005574 1.41147807 -1.19665485 0.1939064 -6.56244825 0.22259969 -1.40200536 1.24203187 1.26337732 -5.54876297 -11.57823957 0 -21.46799471 -42.3985963 1.171E-9 2.618E-9 5.854E-9 1.3089999999E-8 2.927E-8 6.545E-8 1.463E-7 3.2719999999E-7 7.317E-7 0.0000016359999999 0.0000036589999999 0.0000081809999999 0.00001829 0.0000409 0.000091469999999 67-97-0 5280795 144209744 Cc Fns Vitamin D3 C=C3CC[C@H](O)C\C3=C\C=C1/CCC[C@]2(C)[C@H](CC[C@@H]12)[C@H](C)CCCC(C)C Tox21_202546 -NCGC00260209-01 196711722 tox21-ror-cho-viability-p1 set2 4 30.6067041936 -21.423123852 0 -21.423123852 4.9549173134 0.6677608547 0.0539941004 1.51881167 1.66179704 0.4841281 3.33837694 1.64105477 0.60888905 0.68687454 1.54673619 5.08363819 -16.14889772 -0.4808612 -0.89237265 1.99994354 -18.5868941 -20.35260321 1.179E-9 2.6359999999E-9 5.8929999999E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.294E-7 7.367E-7 0.0000016469999999 0.0000036829999999 0.000008236 0.00001842 0.000041179999999 0.00009208 219947-94-1 60196381 144209859 FNS 1-Methyl-3-tetradecylimidazolium hexafluorophosphate F[P-](F)(F)(F)(F)F.C[n+]1ccn(CCCCCCCCCCCCCC)c1 Tox21_202661 -NCGC00090701-06 196712115 tox21-ror-cho-viability-p1 set2 4 17.2289340586 15.1330768559 -1.1330768559 14 0.2 0.410584017 0.264050735 -1.36089738 -0.02559604 0.3496616 4.94702316 3.41636528 4.60698378 4.31138072 4.94327801 7.65772219 0.23952032 -0.40112871 5.31346062 5.09094327 8.60463658 10.44903006 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00254951-01 196719867 tox21-ror-cho-viability-p1 set3 -2.4 24.3365162115 -26.242738476 -3.5 -29.742738476 2.2526478767 0.8330215076 0.0036549137 -8.15697378 3.6073312 0.32970741 -7.84198996 -0.62399572 -7.77140573 -5.03178456 -2.78056059 -6.07169514 -4.64333673 -5.67556032 -0.95609828 -14.73656378 -21.83087041 -29.36894873 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131341-86-1 86398 144211366 A A Fludioxonil N#Cc3cncc3c1cccc2OC(F)(F)Oc12 Tox21_301049 -NCGC00163815-04 196723111 tox21-ror-cho-viability-p1 set3 4 61.130564862 -27.013033812 1 -26.013033812 2.9522712143 0.5008653558 0.1774855325 2.61104044 0.15611639 1.06459459 -7.08251154 3.03099469 2.8875048 0.632176 -12.60008184 8.02673177 4.76289369 8.55687437 2.9619583 -5.0574451 -4.04728694 -20.01086151 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00254474-01 196719879 tox21-ror-cho-viability-p1 set3 4 4.4511176 -0.65921456 5.33805213 2.67216741 1.3504634 10.90213226 4.21113992 10.49807115 5.78398835 10.60683658 7.04066226 6.53730573 4.86818654 3.82053463 4.47821535 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-87-5 7111 144210723 A A Benzidine Nc1ccc(cc1)c2ccc(N)cc2 Tox21_300405 -NCGC00256658-01 196719465 tox21-ror-cho-viability-p1 set2 4 -0.26429366 -0.37961374 -8.08615117 2.49112861 -5.55017793 -6.45446203 -2.32598995 -0.7864097 1.76991303 -1.43317051 -4.35827505 -2.68819811 -6.94583077 -0.53688249 0.76589581 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2094-98-6 74978 144213924 A A 1,1'-Diazene-1,2-diyldicyclohexanecarbonitrile N#CC2(/N=N/C1(CCCCC1)C#N)CCCCC2 Tox21_303619 -NCGC00254780-01 196719876 tox21-ror-cho-viability-p1 set3 4 2.24463059 -4.55593782 3.50438775 0.39243864 15.64915673 1.41265013 -6.76180141 8.46855632 15.42243828 3.35727077 -4.66126387 9.4712213 6.61700673 4.86635706 6.1880079 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 1702-17-6 15553 144211193 A A Clopyralid Clc1ccc(Cl)nc1C(=O)O Tox21_300876 -NCGC00254349-01 196719883 tox21-ror-cho-viability-p1 set3 4 0.1722893406 15.9686220959 -9.4686220959 6.5 0.2 0.3960352599 0.2770357872 -3.44211219 -4.90661556 -7.05718508 -5.57356479 -0.44900063 -0.19656079 -3.04959009 1.50932736 1.70488759 -2.22359245 0.94824785 -1.89334341 -2.0542656 10.95774272 0.30512921 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-30-6 6838 144210891 A B N-Nitrosodiphenylamine O=NN(c1ccccc1)c2ccccc2 Tox21_300574 -NCGC00254820-01 196720694 tox21-ror-cho-viability-p1 set3 4 0.86171365 -1.72775425 0.22465694 9.79357152 5.87706822 4.36069119 11.62792412 18.09021411 6.53440415 7.06280667 8.49555364 6.1713122 10.91314296 -8.61901496 2.3092163 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 134-62-3 4284 144211234 A A DEET Cc1cccc(c1)C(=O)N(CC)CC Tox21_300917 -NCGC00091253-05 196720697 tox21-ror-cho-viability-p1 set3 4 -4.26524786 0.84444381 8.07459285 -0.94562737 12.48073533 10.35770797 -4.94069451 3.66905487 -1.05395794 3.26582289 11.63579559 -5.19410961 3.78261384 4.27477879 5.76730668 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00255050-01 196720703 tox21-ror-cho-viability-p1 set3 4 1.47916072 3.06566801 3.93978932 4.60898432 9.20251921 9.38804605 -2.22934922 -3.14000677 -0.95378778 0.58286795 5.2931 2.45680434 3.30953191 4.07251268 3.24129804 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-20-0 33 144211469 D Chloroacetaldehyde ClCC=O Tox21_301152 -NCGC00254387-01 196720714 tox21-ror-cho-viability-p1 set3 4 3.33638574 -2.77906703 2.8678635 2.06820465 11.49140327 -0.44786312 0.76429179 6.42273904 0.30070931 3.07236889 3.18692849 1.2088387 1.82289539 -3.59810772 3.56539219 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47291 9843744 144210773 A A CI-1044 Nc2cc3C(=N[C@@H](NC(=O)c1cccnc1)C(=O)N4CCc(c2)c34)c5ccccc5 Tox21_300455 -NCGC00259334-01 196721101 tox21-ror-cho-viability-p1 set3 -2.4 69.4274967035 -31.112116244 -5.456836804 -36.568953048 3.1319983358 0.8039737419 0.0073356779 -5.9958203 -6.86765117 -3.64865563 -7.4706148 -2.85894463 -4.61481194 -11.16391281 -2.63498643 -11.14020415 -1.21403067 -3.92629733 -4.51955692 -3.35747104 -10.33017683 -27.97412754 1.1919999999E-9 2.6649999999E-9 5.96E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.332E-7 7.45E-7 0.0000016659999999 0.000003725 0.000008329 0.00001862 0.000041649999999 0.00009312 94-26-8 7184 144208983 A A Butylparaben Oc1ccc(cc1)C(=O)OCCCC Tox21_201785 -NCGC00259300-01 196721114 tox21-ror-cho-viability-p1 set3 4 -4.09079608 -3.19650526 -4.56087715 5.202485 -6.80216559 -8.69539855 -6.99908866 -5.11889494 -5.94247192 -3.92922801 -8.42436621 -6.8529892 -7.53825064 0.78500645 -0.97871612 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.299E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.00001844 0.00004124 0.00009222 94-75-7 1486 144208949 A A 2,4-Dichlorophenoxyacetic acid Clc1cc(Cl)ccc1OCC(=O)O Tox21_201751 -NCGC00091839-03 196721909 tox21-ror-cho-viability-p1 set3 -2.4 27.3060203028 -20.741000292 -1.5 -22.241000292 2.2481167061 0.8236067618 0.004665934 -2.60610411 -0.65641326 1.44443259 4.28726436 -1.71894555 -5.54799073 -1.37542564 -7.15477369 -4.78223735 -0.9735724 0.08437288 -2.20285843 -8.12544063 -15.83265962 -21.03416691 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00094521-05 196707180 tox21-ror-cho-viability-p1 set1 4 27.3060203028 -8.5716114 2 -6.5716114 2.6384283767 0.3677004498 0.3043009872 0.45815388 0.0564369 0.30261221 0.67150305 -0.61820123 -0.94516861 -0.76318773 -1.52300057 8.65178697 7.35818087 7.58413235 2.83235419 -2.16327508 -2.62747738 -7.1430095 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00259246-01 196708463 tox21-ror-cho-viability-p1 set2 4 3.61375311 0.11495866 -0.24230683 4.72956508 2.52334755 -1.29426468 0.42285678 0.86130307 0.22816059 1.12099228 -0.35041962 2.5063599 1.81667036 7.77679452 4.51172176 1.2069999999E-9 2.7E-9 6.037E-9 1.3499999999E-8 3.0179999999E-8 6.7489999999E-8 1.509E-7 3.375E-7 7.546E-7 0.000001687 0.000003773 0.000008436 0.00001886 0.00004218 0.000094319999999 110-80-5 8076 144208895 A A 2-Ethoxyethanol CCOCCO Tox21_201697 -NCGC00256636-01 196708042 tox21-ror-cho-viability-p1 set1 4 0.0343762429 7.374763636 -6.874763636 0.5 2.2526478767 0.6159506583 0.0866117786 -4.17255881 -10.31230303 -6.46254682 -3.7958089 -7.63456709 4.9745586 -2.60841301 0.12922156 0.15745131 0.67514059 -0.64573628 0.34588838 0.38042243 0.32959939 0.00753858 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33704-61-9 92292 144212994 A Ac Dihydro-1,1,2,3,3-pentamethyl-4(5H)-indanone O=C1CCCC2=C1C(C)(C)C(C)C2(C)C Tox21_302677 -NCGC00256355-01 196708043 tox21-ror-cho-viability-p1 set1 4 -7.35368788 -4.05772121 -6.10988163 0.26481495 -9.00693242 -5.61753217 -4.20165646 -12.45731603 -3.69470545 -11.31599123 -6.34619045 -0.177297 -4.43226713 -1.12243379 -8.90992526 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 461-58-5 10005 144213047 A Cyanoguanidine N=C(N)NC#N Tox21_302730 -NCGC00259253-01 196708448 tox21-ror-cho-viability-p1 set2 4 5.04336961 2.7134321 1.59779486 3.51461691 3.57825586 -1.4597869 0.6126817 -0.18800591 3.53069389 2.63227747 4.9166255 1.98140781 -1.76518968 1.78141737 -4.78096396 1.165E-9 2.605E-9 5.824E-9 1.302E-8 2.912E-8 6.5109999999E-8 1.456E-7 3.256E-7 7.28E-7 0.000001628 0.00000364 0.000008139 0.0000182 0.0000407 0.000090999999999 106-48-9 4684 144208902 A A 4-Chlorophenol Oc1ccc(Cl)cc1 Tox21_201704 -NCGC00259629-01 196708468 tox21-ror-cho-viability-p1 set2 4 -0.70940055 0.96265814 -3.08288495 -3.12542294 0.21803006 -4.96982372 -0.36335771 -4.22662883 0.83910277 -0.844223 0.79602525 -1.55238539 -2.72408114 0.96254167 -0.49411134 1.226E-9 2.742E-9 6.132E-9 1.371E-8 3.066E-8 6.855E-8 1.5329999999E-7 3.4279999999E-7 7.6649999999E-7 0.0000017139999999 0.000003832 0.000008569 0.00001916 0.00004285 0.000095809999999 141-79-7 8858 144209278 A F 4-Methylpent-3-en-2-one C\C(C)=C/C(C)=O Tox21_202080 -NCGC00259030-01 196708470 tox21-ror-cho-viability-p1 set2 4 -0.62507828 -2.94558902 -3.76558273 -1.73497967 0.29679796 -1.55269395 -2.76277074 -1.53348001 0.08335703 0.05110994 -0.65265285 2.78830756 3.1700132 3.30142266 4.34855544 1.206E-9 2.697E-9 6.0309999999E-9 1.349E-8 3.0149999999E-8 6.743E-8 1.5079999999E-7 3.371E-7 7.538E-7 0.0000016859999999 0.000003769 0.000008428 0.00001885 0.00004214 0.00009423 111-84-2 8141 144208677 FNS Nonane CCCCCCCCC Tox21_201479 -NCGC00091602-02 196708867 tox21-ror-cho-viability-p1 set2 4 0.99600564 0.83620776 2.50653019 2.0013835 0.87774535 2.2215885 3.26857723 0.22265204 1.27816054 0.8787816 -0.02129146 5.00172949 2.00981217 1.23837372 1.06750024 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00259572-01 196708881 tox21-ror-cho-viability-p1 set2 4 3.48230654 -1.30215453 2.53833775 1.73458498 0.3509578 -0.07136841 -0.59283192 -0.36449509 3.37944586 0.20694284 1.74769064 2.7494852 4.92220381 4.6423437 2.86542339 1.188E-9 2.657E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016599999999 0.000003713 0.000008302 0.00001856 0.000041509999999 0.00009282 96-18-4 7285 144209221 A A 1,2,3-Trichloropropane ClCC(Cl)CCl Tox21_202023 -NCGC00259488-01 196709279 tox21-ror-cho-viability-p1 set2 4 -0.61639236 0.71739585 -0.94524201 -0.80178464 0.29419118 3.8097099 0.78818782 4.61547004 4.59249806 -0.11915286 3.43045746 -0.37477973 2.81350067 2.44666052 3.10258333 1.194E-9 2.67E-9 5.9709999999E-9 1.335E-8 2.986E-8 6.676E-8 1.493E-7 3.338E-7 7.464E-7 0.000001669 0.000003732 0.000008345 0.00001866 0.00004172 0.000093299999999 528-44-9 10708 144209137 A A 1,2,4-Benzenetricarboxylic acid OC(=O)c1cc(ccc1C(=O)O)C(=O)O Tox21_201939 -NCGC00259490-01 196709280 tox21-ror-cho-viability-p1 set2 4 17.8792251702 -18.734357676 -1 -19.734357676 1.0999999999 0.7746202183 0.013020721 -0.96554065 0.51983583 -2.67437739 -6.64967317 4.21722503 0.30474992 -0.81931135 -0.13055144 -0.05827875 -2.03835675 -9.14840366 -2.43148635 -10.22255395 -16.86196473 -15.98771095 1.2169999999E-9 2.72E-9 6.083E-9 1.36E-8 3.041E-8 6.801E-8 1.521E-7 3.4E-7 7.6029999999E-7 0.0000016999999999 0.0000038019999999 0.0000085009999999 0.00001901 0.000042499999999 0.00009504 108-39-4 342 144209139 A A m-Cresol Cc1cc(O)ccc1 Tox21_201941 -NCGC00259764-01 196709285 tox21-ror-cho-viability-p1 set2 4 0.0217120023 9.6900864039 -9.6900864039 0 4.9549173134 0.8283258281 0.0041708313 -9.20732228 -8.66653629 -9.13955865 -12.24173867 0.63932748 -1.27780232 -1.4530504 -3.17318161 -0.25475108 -2.71620395 -0.36628503 1.1593935 0.5595852 2.70780421 2.55082407 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004125 0.00009223 118-71-8 8369 144209413 A A Maltol CC=1OC=CC(=O)C=1O Tox21_202215 -NCGC00259825-01 196709711 tox21-ror-cho-viability-p1 set2 4 -0.59072737 2.39227524 2.86849038 -1.37796978 0.33621513 -0.08240092 0.17794491 1.50787819 1.84530849 2.40329141 -0.74338157 1.65068341 0.40573365 -0.0878024 -0.9212816 1.1919999999E-9 2.6649999999E-9 5.959E-9 1.332E-8 2.98E-8 6.662E-8 1.49E-7 3.331E-7 7.449E-7 0.0000016659999999 0.000003724 0.0000083279999999 0.00001862 0.00004164 0.00009311 94-28-0 7185 144209474 A A Triethylene glycol bis(2-ethylhexanoate) O=C(OCCOCCOCCOC(=O)C(CC)CCCC)C(CC)CCCC Tox21_202276 -NCGC00257479-01 196727190 tox21-ror-cho-viability-p1 set3 4 3.8570778872 6.8649040839 -2.8649040839 4 4.9549173134 0.7077957485 0.0352264744 0 -0.76077289 -2.72543045 -1.15484647 -4.89872602 -2.17632653 -3.91380292 -7.38742007 -3.36187309 -3.41595179 0 5.87788309 1.08656109 4.04530941 4.32367425 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 1118-46-3 14236 144213888 F A Butyltin trichloride CCCC[Sn](Cl)(Cl)Cl Tox21_303583 -NCGC00257183-01 196727171 tox21-ror-cho-viability-p1 set3 -2.1 24.3365162115 -80.3687462506 2.4764883815 -77.8922578691 4.9549173134 0.9848810168 4.02E-8 8.34777138 1.82055921 3.64470504 2.31192679 2.5622204 2.63235383 5.09911236 -1.21980095 3.5644133 -0.40856161 2.29711444 -1.62253345 -13.75253829 -72.12246099 -45.81713823 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13048-33-4 25644 144213485 A A 1,6-Hexanediol diacrylate C=CC(=O)OCCCCCCOC(=O)C=C Tox21_303168 -NCGC00257509-01 196727609 tox21-ror-cho-viability-p1 set3 4 3.24271606 -3.40730578 1.45311525 0.78914417 3.11546955 2.39366105 2.85505164 -2.00817225 -3.4645457 0.3982959 0.66189675 2.38250872 -0.71371349 3.06922511 1.36228047 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 127-25-3 173058 144213817 A F Methyl abietate CC(C)C=3CC[C@H]1C(=CC[C@H]2[C@@](C)(CCC[C@]12C)C(=O)OC)C=3 Tox21_303509 -NCGC00257010-01 196727176 tox21-ror-cho-viability-p1 set3 -1.1 12.1971512362 -85.5931286224 -3.974863034 -89.5679916564 1.8851180601 0.8944317611 0.0004208246 -0.2834366 -0.22635864 1.63908335 0.16147206 3.25772757 -10.97911742 -15.33134984 -27.83150331 -2.42459312 -0.5579816 -5.66323641 -17.76070844 -80.62417167 -81.49090277 -80.43599358 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 67485-29-4 5281875 144213478 A A Hydramethylnon CC3(C)CN/C(=N\N=C(/C=C/c1ccc(cc1)C(F)(F)F)\C=C\c2ccc(cc2)C(F)(F)F)NC3 Tox21_303161 -NCGC00256519-01 196727586 tox21-ror-cho-viability-p1 set3 4 2.13832481 -0.18395596 -0.55321605 0.32313606 -0.96222938 2.28889555 0.80256877 0.06857087 1.96727771 1.92340312 0.38280446 -0.23901857 0.8150509 1.11125559 0.66749852 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1083-57-4 14130 144213206 A A 3-Hydroxy-4-butyrophenetidide CCOc1ccc(cc1)NC(=O)CC(C)O Tox21_302889 -NCGC00255412-01 196728006 tox21-ror-cho-viability-p1 set3 4 0.0003356795 -24.1312588 -18.28722752 -7.84436153 -4.13307283 -1.51663158 -0.44259875 2.56344414 1.77045313 -0.65832366 -3.49314739 4.21712236 -2.24937634 -2.56801642 2.1904084 -5.18780653 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-71-6 31355 144211561 A B Triisobutyl phosphate CC(C)COP(=O)(OCC(C)C)OCC(C)C Tox21_301244 -NCGC00255805-01 196728009 tox21-ror-cho-viability-p1 set3 4 3.77036525 -3.14940907 2.21276348 -0.53420499 2.40660716 0.64506604 1.89726418 3.53332341 2.66259781 3.07462111 3.94328593 -2.32269434 4.18298946 0.22148153 1.82271484 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-23-0 8422 144211707 A A 2-Naphthoxyacetic acid O=C(O)COc1ccc2ccccc2c1 Tox21_301390 -NCGC00255330-01 196728434 tox21-ror-cho-viability-p1 set3 4 -5.30563909 -1.99253816 1.15609543 5.88541146 -4.86063536 4.01698921 -4.22794497 0.59735867 8.88903481 4.94325425 6.34773036 -5.64792554 7.12099467 7.04030838 -1.98268489 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2122-70-5 62428 144211786 A A Ethyl 1-naphthaleneacetate O=C(OCC)Cc2cccc1ccccc12 Tox21_301469 -NCGC00255785-01 196728444 tox21-ror-cho-viability-p1 set3 4 0 2.9133261 3.16714483 5.86234673 -1.65996801 1.95700618 6.69351872 0.6389142 2.92174825 -0.78293951 2.55733627 -2.2103097 0.63894629 3.37758182 2.9026808 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2038-03-1 408285 144212388 Ac Ac 2-Morpholinoethylamine NCCN1CCOCC1 Tox21_302071 -NCGC00255329-01 196728838 tox21-ror-cho-viability-p1 set3 4 2.7306020303 23.274091452 -0.774091452 22.5 0.3 0.5671413104 0.1370556084 -1.89507621 5.36691705 -1.0663466 5.08961887 11.05831165 -1.0359618 5.82272824 3.83662042 11.24873857 11.66017576 7.58278142 18.92933019 8.92724107 16.94672039 8.15588903 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-51-3 31260 144212676 Ac Isopentyl alcohol CC(C)CCO Tox21_302359 -NCGC00255698-01 196728845 tox21-ror-cho-viability-p1 set3 2.4 2.7306020303 30.5 5.5 36 0.4 0.9177895675 0.0002347501 8.05383407 7.10658899 5.10576674 6.83368105 12.36894851 13.15376416 12.92808725 15.45045967 16.51626908 14.09817613 24.50483229 25.15681933 28.18747947 26.86219546 11.97491279 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67375-30-8 3086172 144212324 A alpha-Cypermethrin Cl/C(Cl)=C/[C@@H]3[C@H](C(=O)O[C@@H](C#N)c2cccc(Oc1ccccc1)c2)C3(C)C Tox21_302007 -NCGC00255406-01 196728858 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -11.903423744 -0.5 -12.403423744 4.9549173134 0.5338562913 0.1511353724 0.40130669 -1.65216315 -3.6130338 -3.28633298 -2.30563061 0.33107486 0.19177893 -1.39856366 2.76187557 -3.32147168 3.88786642 0.28409042 0.97924098 -0.4460288 -9.50285312 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 557-48-2 6428555 144212143 F F trans-2,cis-6-Nonadienal CCCC\C=C\C=C/C=O Tox21_301826 -NCGC00159407-04 196712955 tox21-ror-cho-viability-p1 set2 4 -3.10820385 -1.44786851 -1.36950367 -0.58940588 0.67979392 -1.33079359 -1.99361034 -0.13368448 -3.47285185 -0.46080984 1.10808425 0.35879565 -1.10583867 0.12836934 5.58317148 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77-21-4 3487 170465223 F Glutethimide CCC1(CCC(=O)NC1=O)c2ccccc2 Tox21_111641_1 -NCGC00015643-11 196716675 tox21-ror-cho-viability-p1 set2 4 5.3080386368 14.7097618159 -4.7097618159 10 0.5 0.7294629936 0.0336771828 -5.01195086 -3.37787513 -6.84146818 -6.21838707 -0.03598826 -5.74634517 -1.21028815 -2.79647856 -2.24002356 0.92277382 -0.53064302 1.97171028 0.96392943 7.95288795 1.44991864 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 364-62-5 4168 170464848 A Metoclopramide Nc1cc(OC)c(cc1Cl)C(=O)NCCN(CC)CC Tox21_110188_1 -NCGC00183835-01 196712967 tox21-ror-cho-viability-p1 set2 4 29.8492948118 -11.092789976 2 -9.092789976 4.0949729863 0.6799202755 0.0487515855 3.35866548 5.00924734 2.54371194 5.12238465 3.44638015 0.24100359 2.43727828 0.76493829 0.44944435 1.59203286 0.82957875 -0.0775752 -0.27541288 0.17471085 -7.57732498 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14261-75-7 26602 144206822 A A Cloforex Clc1ccc(CC(C)(C)NC(=O)OCC)cc1 Tox21_113271 -NCGC00177980-03 196712949 tox21-ror-cho-viability-p1 set2 -2.1 29.8492948118 -76.572534843 -0.085601177 -76.65813602 4.5044702849 0.9865267661 4.8E-9 -0.78324913 3.64089842 0.20818534 1.5521254 0.0227542 0.57675466 -1.09749794 -1.11277689 1.82352364 1.29002793 -0.85377512 0.13677803 -6.09442796 -11.63741825 -67.21511335 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64211-46-7 9556529 170465226 A Oxiconazole nitrate [O-][N+](=O)O.Clc3ccc(C(=N\OCc1ccc(Cl)cc1Cl)\Cn2ccnc2)c(Cl)c3 Tox21_111467_1 -NCGC00095156-06 196712966 tox21-ror-cho-viability-p1 set2 3 26.6032120037 36.387194208 -1.387194208 35 4.9549173134 0.9839919528 1.31E-8 -2.45624075 -0.41452673 -0.19156947 -2.82266184 -1.04629421 -2.46906629 -1.62821678 -2.78118596 0.78694849 0.43972954 -1.13776305 -2.17441922 -1.6405422 7.02877438 32.63412097 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6804-07-5 5353472 170466261 A Carbadox O=C(OC)N\N=C\c2c[n+]([O-])c1ccccc1[n+]2[O-] Tox21_111456_1 -NCGC00160408-03 196713365 tox21-ror-cho-viability-p1 set2 4 -0.84543137 -2.78224409 1.22459617 -3.03391135 1.32295425 0.69333578 -1.93299118 -7.5436614 -2.84123946 -1.34716746 -1.88434162 -11.30242298 -2.68434502 0.55722903 -10.00386459 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68-90-6 6237 170465852 A Benziodarone Ic1cc(cc(I)c1O)C(=O)c2c3ccccc3oc2CC Tox21_111793_1 -NCGC00271749-02 196713368 tox21-ror-cho-viability-p1 set2 1.1 1.333319023 79.0687056364 3.6274909599 82.6961965963 2.4063783767 0.9906429061 6E-10 7.09954652 6.11407101 6.15904314 1.06108444 1.45274645 -0.66513068 6.1825886 1.55475209 10.19747916 16.61602939 60.3156916 80.79377025 85.07839156 77.63007671 81.00668983 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 186826-86-8 101526 170465209 A Moxifloxacin hydrochloride Cl.O=C(O)C2=CN(c1c(OC)c(c(F)cc1C2=O)N3C[C@@H]4CCCN[C@@H]4C3)C5CC5 Tox21_111439_1 -NCGC00261984-01 196713381 tox21-ror-cho-viability-p1 set2 4 -2.06420474 -1.63393994 0.48093745 -0.1736142 -2.72315416 -3.00456597 0.88109184 1.40003352 3.06291411 0.01144939 0.67192786 2.66747827 0.66451899 2.42397085 2.87622656 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56917-29-4 42040 170466227 F A Fluretofene Fc2ccccc2c1ccc(C#C)cc1 Tox21_113903 -NCGC00241104-02 196713785 tox21-ror-cho-viability-p1 set2 4 1.12541582 5.95997022 7.12294392 1.90424597 0.12973877 5.68229684 6.44171313 1.77102576 2.2511256 0.77598501 1.85008113 5.7743232 -1.17147744 0.8241041 0.5338146 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 285983-48-4 156422 170466618 A Doramapimod CC(C)(C)c4cc(NC(=O)Nc3ccc(OCCN1CCOCC1)c2ccccc23)n(n4)c5ccc(C)cc5 Tox21_113386_1 -NCGC00024994-06 196713792 tox21-ror-cho-viability-p1 set2 4 1.25408019 3.48383126 4.88735918 4.90662183 0.6389748 3.05750914 0.10893678 -0.21872151 1.5924907 -0.51810591 0.07808634 2.3728175 0.30496339 -0.34527788 3.42050121 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14611-52-0 26758 170464993 A Selegiline hydrochloride Cl.C#CCN(C)[C@H](C)Cc1ccccc1 Tox21_110572_1 -NCGC00182989-01 196713794 tox21-ror-cho-viability-p1 set2 4 3.48831785 3.13751267 1.63019481 3.1497904 5.42776345 2.94668635 0.00778902 1.57806654 0.61872126 1.70089141 0.64066229 0.55578346 1.27609979 2.43683379 4.08317044 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 631-27-6 71793 144206854 A A Glyclopyramide O=C(NS(=O)(=O)c1ccc(Cl)cc1)NN2CCCC2 Tox21_113303 -NCGC00253575-01 196713796 tox21-ror-cho-viability-p1 set2 4 -0.67448156 -0.1242118 0.0901568 0.86385669 0.95688509 0.50848459 0.4163834 0.91092834 0.51970934 -0.32304156 -0.19025952 2.33475893 0.41518857 1.24552674 0.68868052 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 289893-25-0 9568077 170465602 A A Arimoclomol O[C@H](CN1CCCCC1)CO\N=C(/Cl)c2ccc[n+]([O-])c2 Tox21_113718 -NCGC00161422-04 196722719 tox21-ror-cho-viability-p1 set3 -2.4 16.7854920005 -36.123221224 -1.5 -37.623221224 0.6999999999 0.9187389322 0.0001124295 -2.14374086 -4.68467794 -2.74166426 1.13491417 -2.88746532 -2.17956774 -0.55877216 -2.20224634 0.13479016 -8.04254485 -9.51473855 -11.07564203 -18.21227943 -16.74080635 -28.01935102 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1216920-18-1 46861540 170466895 A Falnidamol dihydrochloride Cl.Cl.CN4CCC(Nc2nc3c(Nc1ccc(F)c(Cl)c1)ncnc3cn2)CC4 Tox21_111996_1 -NCGC00015418-09 196723538 tox21-ror-cho-viability-p1 set3 4 0.0149600855 -12.911427808 8 -4.911427808 0.3 0.6117063981 0.103506911 4.63138651 4.63054234 5.48773835 -2.59780809 -0.02032932 4.52401203 0.16003826 -0.08294696 -3.01737486 0.1907727 -4.62041715 -2.43467807 -4.92618984 -2.16154093 11.41931472 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77-67-8 3291 170464802 F Ethosuximide CC1(CC)CC(=O)NC1=O Tox21_110370_1 -NCGC00259706-01 196721917 tox21-ror-cho-viability-p1 set3 -2.4 77.7421153793 -28.1462039919 -6.01860292 -34.1648069119 4.9549173134 0.7531752956 0.0186105433 -10.03533784 -1.6821691 -10.680258 -2.71750878 -8.03083477 -5.18382129 -10.12845638 -6.21025103 -7.98030015 -4.33424196 -6.95538975 -2.137637 -4.58397062 -3.34327461 -26.80400576 1.19E-9 2.661E-9 5.951E-9 1.331E-8 2.975E-8 6.653E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.000003719 0.000008317 0.0000186 0.00004158 0.00009298 95-50-1 7239 144209355 AC Ac 1,2-Dichlorobenzene Clc1ccccc1Cl Tox21_202157 -NCGC00247696-01 196722316 tox21-ror-cho-viability-p1 set3 4 1.3788934388 17.818728092 -4.818728092 13 2.4063783767 0.719652775 0.0298543625 -0.59835295 7.16103346 -4.11000061 -10.68227341 -8.01373577 -10.67773808 -7.07639006 0 -8.76863565 13.22547849 10.69531438 13.22196855 9.06934439 13.1059611 15.87776092 1.307E-9 2.9229999999E-9 6.536E-9 1.461E-8 3.268E-8 7.3069999999E-8 1.634E-7 3.654E-7 8.1699999999E-7 0.0000018269999999 0.000004085 0.000009134 0.00002042 0.00004567 0.00010209999999 117332-93-1 46783063 144206399 A A N-Phenyl-N-[1-(2-thienyl)methyl-4-piperidyl]propanamide hydrochloride Cl.CCC(=O)N(c1ccccc1)C3CCN(Cc2cccs2)CC3 Tox21_112846 -NCGC00162150-04 196722729 tox21-ror-cho-viability-p1 set3 4 -3.38466422 -5.99631778 -2.68727903 -1.08335096 -1.78945639 -2.31223904 -3.72641011 -1.44596876 2.12675201 1.00585434 -0.02370477 -3.77201955 -10.14745307 -6.4112521 -6.18244051 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 132203-70-4 5282138 170465867 A Cilnidipine CC=1NC(C)=C(C(C=1C(=O)OCCOC)c2cccc(c2)[N+]([O-])=O)C(=O)OC/C=C/c3ccccc3 Tox21_112001_1 -NCGC00016043-08 196723154 tox21-ror-cho-viability-p1 set3 4 2.3710137656 7.841214168 0.158785832 8 4.9549173134 0.6321490707 0.0884263467 0.71305218 -0.39568474 -0.0156432 0.84897047 0.07696237 2.28700427 -0.15824638 4.14846661 -4.03434514 -1.49901383 1.21900435 11.43087319 9.48685503 3.32596712 -7.11797082 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118409-57-7 2052 170466860 A Tyrphostin 23 Oc1ccc(\C=C(/C#N)C#N)cc1O Tox21_110287_1 -NCGC00091761-07 196723157 tox21-ror-cho-viability-p1 set3 4 12.0279044 1.09847974 7.58198431 2.90866346 2.61069338 -0.08654317 0.17195966 -7.12922528 11.3635807 10.43825819 5.1014191 7.12086118 5.75456018 6.05332595 16.554504 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 128-37-0 31404 170466785 F Butylated hydroxytoluene CC(C)(C)c1cc(C)cc(c1O)C(C)(C)C Tox21_113537_1 -NCGC00094521-05 196723555 tox21-ror-cho-viability-p1 set3 4 4.3277125691 -11.175956712 -1.1709598959 -12.3469166079 1.21 0.8470632699 0.0038311403 -0.17449287 -1.24535951 -1.63080924 -0.39589737 -2.77069835 -0.51478137 -0.14246658 -0.44017996 -3.56325761 -4.3379116 -5.94946114 -6.72228641 -14.45576384 -9.06819492 -3.02412506 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00015053-10 196723559 tox21-ror-cho-viability-p1 set3 1.4 0.421632496 27.28675294 -11.78675294 15.5 2.3331733767 0.9228987577 0.0000853111 -16.51763393 -13.86677923 -16.90562745 -11.03316459 -6.62102494 -8.0325295 -8.74073012 -7.92526929 -4.4599251 16.92349963 15.50796194 17.85564526 11.93945515 11.63269545 14.92862869 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80809-81-0 1967 170466471 A Docebenone O=C1C(C)=C(C)C(=O)C(C)=C1CCCCC#CCCCC#CCO Tox21_110072_1 -NCGC00015924-12 196723570 tox21-ror-cho-viability-p1 set3 4 0.2113168243 4.3856322241 0.1143677759 4.5 4.9549173134 0.4461751481 0.2300588092 0.71577649 -3.65469352 0.71353192 1.63011252 2.55743028 -2.38905471 0.30313835 -0.33668762 7.3418928 1.98860914 5.24758467 3.58642791 1.42072202 2.28969526 10.32209438 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-07-5 7172 170466681 Z Synephrine OC(CNC)c1ccc(O)cc1 Tox21_110390_1 -NCGC00090885-03 196723574 tox21-ror-cho-viability-p1 set3 4 -2.15601098 -1.07191766 0.29597953 -1.99253196 -6.82926698 -0.45389541 -2.36984186 -13.49790669 -3.78391687 -6.65488077 -0.80684548 -3.91568444 -4.32192878 -2.9756686 -10.86732388 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00260314-01 196723969 tox21-ror-cho-viability-p1 set3 4 -6.11016568 1.26211039 0.03016626 4.79187096 4.68153033 -0.65369948 0.10273704 -1.99112471 0.5375263 0.81364978 8.6914961 -0.73160858 1.02724041 1.13817957 9.12051093 7.509E-11 1.6789999999E-10 3.754E-10 8.3949999999E-10 1.877E-9 4.198E-9 9.386E-9 2.099E-8 4.693E-8 1.0489999999E-7 2.3469999999E-7 5.247E-7 0.000001173 0.000002624 0.0000058659999999 86508-42-1 120203 144209965 Perfluoro compounds, C5-18 FC(F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_202767 -NCGC00090702-02 196710134 tox21-ror-cho-viability-p1 set2 4 -7.32194844 0.84213543 1.80062963 -1.95800346 -1.95810978 -4.83721721 -3.48886286 -5.06498619 3.60749512 -0.22235084 -0.77271291 2.5772867 3.57705257 -7.48388661 -5.40962786 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00255523-01 196710125 tox21-ror-cho-viability-p1 set2 4 0.2073623 -0.29958853 0.921739 -0.26538984 0.40873351 -1.24257255 -0.15613684 0.77484948 -0.42650981 0.00558523 1.25635256 0.24698415 0.28506206 -5.1764648 0.46907882 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 71626-11-4 51369 144211874 A A Benalaxyl CC(N(C(=O)Cc1ccccc1)c2c(C)cccc2C)C(=O)OC Tox21_301557 -NCGC00255139-01 196710544 tox21-ror-cho-viability-p1 set2 4 61.130564862 9.909048608 -0.909048608 9 4.0949729863 0.6091776103 0.0925009284 -5.34087384 -0.65276105 -0.18368009 -0.04581106 -0.16845202 -1.01272977 -0.52153476 2.04068976 1.44601871 -2.16537613 -1.83126119 -3.24169585 -1.05037417 0.66640065 7.48205789 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7227-91-0 23654 144212193 A F 1-Phenyl-3,3-dimethyltriazene CN(C)/N=N/c1ccccc1 Tox21_301876 -NCGC00255656-01 196710955 tox21-ror-cho-viability-p1 set2 4 9.6885416101 -8.2603450639 2 -6.2603450639 2.7202212143 0.7651575844 0.0207402769 5.54440778 0.15167765 1.29538372 1.46688973 2.64494294 0.92943854 2.86309719 0.7994775 0.43245038 2.52119257 0.53814113 0.14010897 -6.46695422 -5.15312609 1.39891211 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2463-84-5 17168 144212225 F F Dicapthon Clc1cc(ccc1OP(=S)(OC)OC)[N+]([O-])=O Tox21_301908 -NCGC00256297-01 196710960 tox21-ror-cho-viability-p1 set2 4 76.9588215421 12.4809407559 -0.4809407559 12 4.9549173134 0.7161032508 0.0321153013 0 -2.58348795 1.24289282 -0.79011885 -1.51461986 -4.56745063 -0.60930199 0.87942735 0.83798025 0.68947811 -0.94343303 -0.29131248 0.11395464 -1.61056065 9.05133076 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56275-01-5 91783 144212121 Fns Trimethylsilyl silicate C[Si](C)(C)O[Si](O)(O)O Tox21_301804 -NCGC00356995-01 196711376 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -15.798607284 2 -13.798607284 4.9549173134 0.7229397266 0.0290608774 -0.57139225 -0.24862302 1.64821588 2.77643215 -0.30517822 0.908363 0.8227455 4.00603307 2.27489286 4.35053129 2.58475817 3.43745517 -0.15821504 5.21541242 -10.66550607 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19660-16-3 29728 251919679 F 2,3-Dibromopropyl acrylate BrC(CBr)COC(=O)C=C Tox21_303936 -NCGC00260309-01 196711787 tox21-ror-cho-viability-p1 set2 4 0.17139101 -5.12817054 -5.41295946 -24.08751654 -1.17710077 -12.65781822 -19.3594864 -1.94844863 -14.84616391 -32.90903966 1.24150159 -14.95263013 0 -30.01302385 -16.31941993 2.859E-10 6.393E-10 1.43E-9 3.197E-9 7.148E-9 1.598E-8 3.574E-8 7.9909999999E-8 1.7869999999E-7 3.996E-7 8.9349999999E-7 0.0000019979999999 0.000004467 0.000009989 0.00002234 32360-05-7 122600 144209960 Fns Stearyl methacrylate C=C(C)C(=O)OCCCCCCCCCCCCCCCCCC Tox21_202762 -NCGC00090910-03 196711793 tox21-ror-cho-viability-p1 set2 4 0.0904926852 -13.87194048 -4 -17.87194048 4.9549173134 0.6472967086 0.0774102386 -6.84354917 0.08697361 -8.05067271 -6.83123224 -0.83686681 -2.40898719 -25.14353698 -18.79069616 -17.14836263 -12.95325144 -14.47573928 -29.0599504 -14.71382192 -12.56599384 -1.99587635 1.227E-9 2.7439999999E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008574 0.00001917 0.000042869999999 0.00009586 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00357159-01 196712205 tox21-ror-cho-viability-p1 set2 4 38.5707788719 12.506655308 1.493344692 14 2.4063783767 0.6596584348 0.0590162963 -1.55149964 4.31896245 -2.50554609 5.50434958 4.54040249 5.52780636 1.12660965 0.34928297 -0.18538371 0.06628126 -0.63566377 1.27737892 3.90572682 8.20847006 13.77363723 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6117-91-5 20024 251919917 A But-2-en-1-ol CC=CCO Tox21_303907 -NCGC00260170-01 196712212 tox21-ror-cho-viability-p1 set2 4 8.6612723217 -10.99750366 1 -9.99750366 2.7202212143 0.5857196971 0.1225809674 0.36030885 2.75722314 -1.0697886 -1.27040682 -2.23981519 0.17693699 4.12863925 0.05493125 4.91644129 1.99766932 -3.34501963 -0.80218757 -14.58125305 -5.64697961 4.00192138 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3069999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.000008269 0.000018489999999 0.00004134 0.00009245 188589-32-4 22078297 144209820 A A 1-Decyl-3-methylimidazolium bromide [Br-].C[n+]1ccn(CCCCCCCCCC)c1 Tox21_202622 -NCGC00259862-01 196708488 tox21-ror-cho-viability-p1 set2 4 7.6880564977 14.3631103199 -0.3631103199 14 0.7999999999 0.7437806619 0.0278190872 -2.34479464 -2.2034253 0.70263339 4.95375509 -4.4692586 -0.49217575 0.9646941 3.42222656 -0.24702671 2.49290095 5.48114521 5.77684758 9.78374572 10.78089441 4.163677 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.000018429999999 0.0000412 0.000092129999999 99-56-9 5111791 144209511 A A 4-Nitro-1,2-phenylenediamine Nc1ccc(cc1N)[N+]([O-])=O Tox21_202313 -NCGC00256334-01 196708062 tox21-ror-cho-viability-p1 set1 4 -5.06899603 -2.27216941 -0.51029438 -10.97276219 -0.90710274 -3.74211547 -0.15196652 -11.9685627 -3.00418388 -3.19920664 -3.58589857 -2.65877692 -7.17391855 -3.35453729 -7.48695488 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98319-26-7 57363 144213061 A A Finasteride CC(C)(C)NC(=O)[C@H]4CC[C@@H]3[C@]4(C)CC[C@H]1[C@H]3CC[C@H]2NC(=O)C=C[C@]12C Tox21_302744 -NCGC00257174-01 196707613 tox21-ror-cho-viability-p1 set1 4 34.3762428541 14.11367648 -1.11367648 13 0.7999999999 0.5594093251 0.1287373756 -2.75467392 1.50668465 2.1178219 -0.70347676 -4.83102946 -4.54340574 1.755274 3.11711003 -5.0947304 0.24930577 1.31882776 5.15747093 1.34309353 5.54706055 10.2557009 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63-74-1 5333 144213653 A A Sulfanilamide Nc1ccc(cc1)S(=O)(N)=O Tox21_303336 -NCGC00256950-01 196707175 tox21-ror-cho-viability-p1 set1 4 -0.54542064 -4.12867716 0.48817688 -1.22886791 2.95182731 -1.7075373 -0.85679939 -0.49888457 -6.96959872 -6.14626576 -0.22039107 -11.25101499 0.36960984 -6.75707907 -2.65695401 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-96-8 8777 144213393 F Ac Dodecyl sulfate triethanolamine OCCN(CCO)CCO.OS(=O)(=O)OCCCCCCCCCCCC Tox21_303076 -NCGC00257345-01 196707186 tox21-ror-cho-viability-p1 set1 4 -8.00779229 -9.32433084 -0.71527992 -6.44357486 -6.6016134 0.0244186 1.82372415 -14.01036696 0.86712748 -1.30182399 -16.65127731 -13.05289105 -4.79714325 -5.16116498 -1.23586895 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4344-55-2 20352 144213673 A A 4-Butyloxyaniline Nc1ccc(OCCCC)cc1 Tox21_303357 -NCGC00256599-01 196707193 tox21-ror-cho-viability-p1 set1 4 -2.71835577 -2.08548406 0.53090605 -3.14836282 -0.89687792 -1.51056983 -0.62139034 -0.52971254 -0.41366193 4.80501839 -1.27634937 0.10692728 -4.18277452 1.13546279 0.20756387 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-74-9 7255 144213072 A A 3-Chloro-4-methylaniline Nc1cc(Cl)c(C)cc1 Tox21_302755 -NCGC00258087-01 196715453 tox21-ror-cho-viability-p1 set2 4 15.3865400603 -9.2068948119 8.5 -0.7068948119 4.4494702849 0.8722987371 0.0010884564 9.17085903 7.98308645 7.6632902 7.80903771 8.17111442 6.64807688 6.71526308 7.13973513 11.48031177 7.96667125 8.49406243 9.54494114 1.38403498 -0.25905023 -0.58907901 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.303E-7 7.387E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 103-82-2 999 144207731 A A Phenylacetic acid OC(=O)Cc1ccccc1 Tox21_200533 -NCGC00254991-01 196715034 tox21-ror-cho-viability-p1 set2 4 3.27553294 -0.97850783 2.91961202 -1.70262781 -1.42557655 -0.79250039 2.92010102 -0.78810918 1.86047357 0.64081399 0.46088787 6.68848726 2.12882795 1.53686153 2.11707699 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122836-35-5 86369 144211408 A A Sulfentrazone CS(=O)(=O)Nc1cc(c(Cl)cc1Cl)N2N=C(C)N(C2=O)C(F)F Tox21_301091 -NCGC00258713-01 196715442 tox21-ror-cho-viability-p1 set2 4 0.26648782 1.86782003 3.58742316 2.90368668 2.87977657 1.15273877 -0.42541394 5.12275023 1.88100698 -0.09948654 2.3967271 1.07527406 0.08282704 3.2358393 0.26448292 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 7727-54-0 62648 144208359 Diammonium peroxydisulfate [NH4+].[NH4+].O=S(=O)([O-])OOS([O-])(=O)=O Tox21_201161 -NCGC00091278-03 196715448 tox21-ror-cho-viability-p1 set2 4 -0.51661219 -1.14139439 0.82653425 -0.59089535 -1.62661433 4.04013308 1.35070355 -2.76030645 -0.33228326 0.3377063 0.55665607 -0.03920389 0.80102686 -0.03286292 -4.77246119 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00258254-01 196715858 tox21-ror-cho-viability-p1 set2 4 -3.5106643 -2.99803434 -4.08830988 -0.89309078 -2.89993966 -3.5115994 -0.37055731 0.63247121 -2.87513538 -1.41923483 -5.66698816 -3.75333089 1.29438651 -2.05966526 -2.61699266 1.188E-9 2.657E-9 5.942E-9 1.3289999999E-8 2.971E-8 6.6439999999E-8 1.486E-7 3.3219999999E-7 7.428E-7 0.0000016609999999 0.000003714 0.000008305 0.00001857 0.00004152 0.00009285 604-75-1 4616 144207898 A A Oxazepam Clc1ccc2NC(=O)C(O)N=C(c2c1)c3ccccc3 Tox21_200700 -NCGC00258726-01 196715868 tox21-ror-cho-viability-p1 set2 4 2.67646526 2.22983395 2.10888041 3.02723758 2.11204786 2.02434739 2.55852941 4.2003556 1.10669421 1.05025418 -0.15918619 0.07579136 0.48787034 1.34820976 0.34261536 1.211E-9 2.709E-9 6.056E-9 1.3539999999E-8 3.028E-8 6.771E-8 1.514E-7 3.386E-7 7.5709999999E-7 0.000001693 0.0000037849999999 0.000008464 0.00001893 0.00004232 0.00009463 3970-62-5 19871 144208372 A Ac 2,2-Dimethyl-3-pentanol CC(C)(C)C(O)CC Tox21_201174 -NCGC00164127-03 196715876 tox21-ror-cho-viability-p1 set2 -2.1 61.130564862 -78.6959557175 0.0720655679 -78.6238901496 2.9522712143 0.9670232565 8.296E-7 3.57942754 0.00454028 0.47759758 1.48769125 1.38628616 -9.57226581 1.17927467 0.71423809 2.79916926 -0.6904773 -1.3757977 0.19957224 -2.01761572 -17.75224219 -60.69991678 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00090942-03 196712151 tox21-ror-cho-viability-p1 set2 -2.1 61.130564862 -98.1999803645 -2.103604604 -100.3035849685 3.9899729863 0.9518007762 0.0000068715 0.79588258 2.02969347 0.00737804 0.19502836 0.24710369 -0.69665201 1.01877759 -0.0282949 -6.7858458 -9.20978669 -15.24253153 0.66530848 0.37531909 -20.56067091 -84.00635257 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00260360-01 196711737 tox21-ror-cho-viability-p1 set2 2.4 61.3793157847 27.353296856 0.646703144 28 1.8851180601 0.8446504812 0.0026595458 -1.43654626 -0.05948568 -2.37774738 -1.86474801 3.27518057 4.73491937 1.85844387 2.34560373 3.76456502 -1.08505504 -1.52028702 3.40931327 2.8522432 9.77482839 20.03598886 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 2370-63-0 71404 144210012 F 2-Ethoxyethyl methacrylate CCOCCOC(=O)C(=C)C Tox21_202814 -NCGC00260133-01 196711738 tox21-ror-cho-viability-p1 set2 4 2.90315517 2.15049158 0.81739996 -0.39105488 0.24437303 -0.98548698 1.79104561 -7.472216 -0.13649183 -0.69415902 2.79902024 1.85616802 -2.586656 6.64657653 6.06051164 5.9909999999E-10 1.34E-9 2.9949999999E-9 6.698E-9 1.498E-8 3.349E-8 7.4879999999E-8 1.6739999999E-7 3.744E-7 8.372E-7 0.000001872 0.0000041859999999 0.0000093599999999 0.000020929999999 0.000046799999999 531-85-1 10754 144209782 A A Benzidine dihydrochloride Cl.Cl.Nc1ccc(cc1)c2ccc(N)cc2 Tox21_202584 -NCGC00090773-04 196712150 tox21-ror-cho-viability-p1 set2 4 78.2912055491 -19.1979835119 -1.5 -20.6979835119 4.9549173134 0.7320757685 0.0255472708 -2.19682567 0.54551141 -3.85270449 -4.51949372 -2.77764654 -3.45791537 -0.49030019 -0.06205636 -2.40476136 0.85500814 -5.67061827 1.5767487 0.38814963 0.37203473 -16.41498626 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.0000016739999999 0.000003742 0.000008368 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00319018-01 196712559 tox21-ror-cho-viability-p1 set2 4 2.8258451 3.91104502 6.80747119 3.27771609 3.61680038 1.70556129 3.46544205 0.89924319 2.12060158 -0.10412312 1.12216725 2.653044 1.57521531 -2.91128979 0.00467449 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 105613-48-7 9552071 170465570 Z F Exametazime C/C(=N\O)[C@@H](C)NCC(C)(C)CN[C@H](C)C(\C)=N\O Tox21_113984 -NCGC00016737-04 196712567 tox21-ror-cho-viability-p1 set2 4 3.31524275 3.26501303 2.41561206 2.11829994 0.28553229 -0.67824063 1.43384875 -0.68858125 0.15424354 2.37316198 0.49002355 -1.24009875 0.59728989 2.81756015 1.11572041 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 18694-40-1 3242 170465827 A Epirizole Cc1cc(nc(n1)n2nc(C)cc2OC)OC Tox21_110584_1 -NCGC00254915-01 196698663 tox21-ror-cho-viability-p1 set1 4 -0.93761226 2.91679226 0.28559544 -0.21603178 -2.67740545 -0.58276838 -3.21990857 -3.01057802 -3.98296576 -6.46145477 -3.06983313 -2.88132337 -0.13223274 -1.04170611 4.46728771 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-83-1 8016 144211330 A A N-Methylethanolamine CNCCO Tox21_301013 -NCGC00015701-06 196698251 tox21-ror-cho-viability-p1 set1 4 -4.26693982 0.881418 -1.10321073 0.24114025 -2.58194559 0.8230805 -0.19615929 6.71692926 -1.93411752 -0.84034532 8.37836546 -0.43373772 0.62665818 -0.50801419 1.70638164 5.899E-11 1.319E-10 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 672-87-7 441350 170465112 I Metyrosine Oc1ccc(C[C@](C)(N)C(=O)O)cc1 Tox21_111253_1 -NCGC00178782-04 196698655 tox21-ror-cho-viability-p1 set1 4 26.6032120037 8.204139696 -3.704139696 4.5 3.2974983358 0.3403342573 0.3323730814 -0.45559404 -6.15205585 -5.85099481 -2.41686711 -1.06171741 -4.56313869 -9.33678308 -5.34108168 -1.33134246 -5.56393605 1.11092188 -3.41570073 -2.5534498 -1.22743458 3.42177529 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13412-64-1 23675786 170465296 A Dicloxacillin sodium salt monohydrate [Na+].O.O=C([O-])[C@@H]3N4C(=O)[C@@H](NC(=O)c2c(C)onc2c1c(Cl)cccc1Cl)[C@H]4SC3(C)C Tox21_113495_1 -NCGC00254451-01 196698669 tox21-ror-cho-viability-p1 set1 4 1.44904336 0.79370562 1.15915659 -1.76979627 0.3080924 -0.14892946 3.76363849 1.17047859 0.34502918 3.09756508 -0.14009351 1.05190712 2.17214255 2.54626597 3.32027885 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 41372-08-1 38852 144210800 A A Methyldopa sesquihydrate O.O.O.Oc1ccc(C[C@](C)(N)C(=O)O)cc1O.O=C(O)[C@@](C)(N)Cc1cc(O)c(O)cc1 Tox21_300482 -NCGC00254597-01 196699075 tox21-ror-cho-viability-p1 set1 4 43.2771256911 -16.129609028 -2 -18.129609028 0.7 0.3893866269 0.2829778842 -1.24434322 -9.68544025 0.16010125 -2.03700208 -0.40535946 -2.78220138 -1.18004372 -3.18131833 -6.70453562 -9.86485162 -0.05116578 -0.83527035 -7.97228111 -14.27467419 -10.69968859 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-20-5 7601 144211006 A A 2-Phenylethyl phenylacetate O=C(OCCc1ccccc1)Cc2ccccc2 Tox21_300689 -NCGC00090702-02 196699083 tox21-ror-cho-viability-p1 set1 4 3.97900384 4.01597144 3.47323244 0.02046056 2.64000765 1.39461986 -1.77892417 4.66710378 -0.33886026 5.56718831 -1.84615686 4.65874355 1.02263743 2.42983889 2.50501479 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00229704-01 196722351 tox21-ror-cho-viability-p1 set3 4 6.54304458 3.77281238 -0.91290564 -0.110234 2.27962404 -0.15085565 -7.80734918 -1.58342744 -24.69492263 5.30055579 13.4924331 7.21608026 -1.26898301 3.77339497 0.05935917 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112887-68-0 104758 144207198 A A Raltitrexed O=C(N[C@@H](CCC(=O)O)C(=O)O)c1ccc(s1)N(C)Cc2ccc3N=C(C)NC(=O)c3c2 Tox21_112237_1 -NCGC00164034-05 196722337 tox21-ror-cho-viability-p1 set3 -2.2 21.1316824289 -53.1268980116 -0.7243428959 -53.8512409075 2.3331733767 0.9907417688 5E-10 -0.33553063 -0.55866119 -0.80241077 -0.2642227 -2.91485439 -3.09281047 -2.80761312 -0.32573425 1.14400403 0.5355244 -1.5325356 -1.50309002 -7.05835489 -27.4235396 -46.09942493 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 101-20-2 7547 170465481 A Triclocarban Clc2ccc(NC(=O)Nc1ccc(Cl)cc1)cc2Cl Tox21_112078_1 -NCGC00262915-01 196722338 tox21-ror-cho-viability-p1 set3 4 0.2371013766 8.535578108 -0.535578108 8 4.9549173134 0.828911406 0.0041077177 -2.49765714 -2.94631509 2.42785418 0.31823813 -1.49991942 1.06342876 -0.28815539 0.18060432 8.83216956 5.93942678 12.5622865 8.24869729 5.90788825 7.9542461 7.34036706 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 65847-85-0 72106 170466184 A A Morniflumate FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)OCCN3CCOCC3 Tox21_113913 -NCGC00166086-03 196722341 tox21-ror-cho-viability-p1 set3 4 16.7854920005 -29.067781376 8 -21.067781376 0.4 0.5426357279 0.1414577361 11.69206535 0.84387004 4.04721106 14.43552793 4.42098214 6.30763526 4.76785937 6.66589869 -4.21562898 0.93072581 0.82576298 -2.21845747 -5.92105262 3.63204606 -17.55648448 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 543-82-8 10982 170466573 F 2-Amino-6-methylheptane CC(C)CCCC(C)N Tox21_112309_1 -NCGC00263543-01 196722750 tox21-ror-cho-viability-p1 set3 4 0.26603212 -13.92860654 3.5 -10.42860654 4.9549173134 0.8540366545 0.0031090749 5.22250567 0.15879031 -2.30252237 5.58478197 5.80275809 4.59845851 3.93888707 5.57167561 -10.58205764 -14.94050545 -9.29826753 -10.22342631 -7.50737781 -8.70542252 7.44036841 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-22-7 5978 170465186 B Vincristine O=C(OC)[C@@]2(C[C@H]4C[C@@](O)(CC)C[N@@](CCc1c3ccccc3nc12)C4)c5cc9c(cc5OC)N(C=O)[C@@H]6[C@]98CCN7CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]6(O)C(=O)OC)[C@H]78 Tox21_112067_1 -NCGC00016624-05 196722752 tox21-ror-cho-viability-p1 set3 4 0.1496008549 7.0432590399 -3.0432590399 4 3.5117481694 0.5590687411 0.128797923 -4.27041158 -3.88418113 -5.0360492 -4.57466546 2.89595134 -4.55784602 -1.80671331 -0.29201729 9.07025893 3.96292029 5.7100999 1.54422432 0.85208426 -0.98486666 7.04485309 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 972-02-1 3055 170465280 A Diphenidol OC(CCCN1CCCCC1)(c2ccccc2)c3ccccc3 Tox21_113073_1 -NCGC00015121-17 196713464 tox21-ror-cho-viability-p1 set2 -3 29.8492948118 -52.4961299969 0.090165217 -52.4059647799 4.9549173134 0.9781506181 7.93E-8 -0.13055744 0.20770727 1.14020596 -0.29586241 2.09337718 -5.71854123 2.06620677 1.2067981 -0.14111846 0.5948878 1.48742997 0.14614221 -0.05360883 -7.5071404 -47.00497065 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-96-1 4768 170465147 C Phenoxybenzamine hydrochloride CC(COc1ccccc1)N(Cc2ccccc2)CCCl Tox21_110087_1 -NCGC00091643-08 196713863 tox21-ror-cho-viability-p1 set2 -2.1 61.130564862 -73.1266210622 -1.920780001 -75.0474010632 3.5722481694 0.9950324202 0 -1.71673906 -3.00911436 -2.08074817 -1.4329052 -1.30192345 -0.70984125 -1.0353405 -1.25960098 -0.88741043 -3.48155086 -3.7904936 -0.76831951 -4.79117227 -15.78241936 -61.39954626 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00254424-01 196713866 tox21-ror-cho-viability-p1 set2 4 1.11447309 0.51732142 -0.42679968 -0.64716521 0.95253282 0.25870986 0.33879283 1.12463228 0.66885968 1.43350741 -0.54764352 6.6270713 5.16985838 1.18699219 1.08255352 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 73-22-3 6305 144210677 Ac Ac l-Tryptophan O=C(O)[C@@H](N)Cc2cnc1ccccc12 Tox21_300359 -NCGC00254741-01 196714278 tox21-ror-cho-viability-p1 set2 4 6.24176207 0.07033443 2.38701813 -0.60241908 1.25705096 1.22009509 8.17351697 0.66180807 0.36036435 6.23023757 0.55128754 9.31062615 11.34170586 1.85133136 0.05824417 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004107 0.00009184 140-38-5 8796 144211154 A A 4-Chlorophenylurea Clc1ccc(NC(N)=O)cc1 Tox21_300837 -NCGC00254899-01 196714282 tox21-ror-cho-viability-p1 set2 4 -8.60504222 -1.13270259 0.7187002 -2.08754482 -1.45144795 -3.14079493 -7.89801797 -4.12372098 -5.30549248 0.45288272 -1.3179526 -4.2172118 -1.15257567 -5.23699929 1.20717399 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109293-98-3 23676752 144211314 A A Diflufenzopyr-sodium [Na+].Fc1cc(cc(F)c1)NC(=O)N\N=C(/C)c2ncccc2C([O-])=O Tox21_300997 -NCGC00259567-01 196709721 tox21-ror-cho-viability-p1 set2 4 1.68485217 -0.8527123 3.18464299 5.240623 3.76486435 2.33607522 2.0320639 2.3922562 -1.20165868 0.38665355 -0.09274943 0.57378792 -1.74543475 -0.79873019 3.41526854 1.1509999999E-9 2.575E-9 5.757E-9 1.2869999999E-8 2.879E-8 6.437E-8 1.4389999999E-7 3.218E-7 7.197E-7 0.000001609 0.0000035979999999 0.0000080459999999 0.00001799 0.000040229999999 0.000089959999999 1570-64-5 14855 144209216 A A 4-Chloro-2-methylphenol Cc1cc(Cl)ccc1O Tox21_202018 -NCGC00091643-08 196709316 tox21-ror-cho-viability-p1 set2 -2.2 54.4826732819 -63.252481101 0.9935681619 -62.2589129391 3.1924983358 0.9933613509 1E-10 -0.73054162 1.74146436 0.93178676 2.97423282 -0.81153566 2.05362157 2.54799527 1.8107638 0.7661737 1.68289414 -0.19608332 -0.28069266 -0.20690964 -17.85808727 -52.09008556 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00259341-01 196709320 tox21-ror-cho-viability-p1 set2 -2.4 30.4510110097 -28.510041016 4 -24.510041016 2.4063783767 0.8499150849 0.0022600137 -1.5155562 1.61266274 7.47004184 11.31675859 1.43130108 1.2058568 1.95930052 8.13226774 5.20302244 6.96940841 0.37258824 -0.02604338 -2.15428213 -13.87644396 -25.42503418 1.1739999999E-9 2.626E-9 5.871E-9 1.3129999999E-8 2.9349999999E-8 6.564E-8 1.468E-7 3.282E-7 7.339E-7 0.000001641 0.000003669 0.000008205 0.00001835 0.00004102 0.00009173 57-83-0 5994 144208990 A A Progesterone CC(=O)[C@H]2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_201792 -NCGC00259070-01 196709321 tox21-ror-cho-viability-p1 set2 4 -2.27998518 0.2039151 -3.95125602 1.81924011 -3.5706964 -1.0060486 -5.67181404 -5.56462007 1.82379026 -1.96511133 -2.42254507 -2.22837148 -1.34401205 -3.93244812 -4.54664166 1.193E-9 2.6679999999E-9 5.9659999999E-9 1.3339999999E-8 2.9829999999E-8 6.67E-8 1.491E-7 3.335E-7 7.457E-7 0.0000016669999999 0.000003728 0.000008337 0.00001864 0.000041689999999 0.000093209999999 4098-71-9 169132 144208718 FNS Isophorone diisocyanate O=C=N\C1CC(C)(C)CC(C)(C1)C\N=C=O Tox21_201520 -NCGC00259734-01 196709734 tox21-ror-cho-viability-p1 set2 4 9.2859955006 -7.79142568 -0.5 -8.29142568 4.4494702849 0.4818108756 0.2133081175 -0.34450639 -1.18197068 -3.22992511 0 0.04320895 -0.735899 -2.5935758 -3.26908934 1.51069612 -0.91069985 1.8974089 -1.77751664 -14.4095214 -2.91075708 -3.00217317 1.1389999999E-9 2.5469999999E-9 5.694E-9 1.2729999999E-8 2.8469999999E-8 6.3659999999E-8 1.424E-7 3.183E-7 7.118E-7 0.000001592 0.000003559 0.0000079579999999 0.000017789999999 0.00003979 0.00008897 10043-35-3 7628 144209383 Boric acid OB(O)O Tox21_202185 -NCGC00255720-01 196710150 tox21-ror-cho-viability-p1 set2 4 0.0015355304 9.9982698399 -10.9982698399 -1 4.9549173134 0.6453412043 0.0813603819 -8.7485582 -1.34751859 -2.34073513 -1.34433673 -0.1528605 -1.03997927 0.02433359 -0.19028289 0.06294216 -1.60660135 1.4994301 -2.37309122 -3.50279377 -3.9225055 -6.95911586 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17109-49-8 28292 144211672 A C Edifenphos O=P(Sc1ccccc1)(Sc2ccccc2)OCC Tox21_301355 -NCGC00255194-01 196710557 tox21-ror-cho-viability-p1 set2 4 0.0017228934 7.777521084 -7.777521084 0 4.0949729863 0.3367589481 0.3366781104 -6.48126757 -1.15288196 -1.38923852 -0.53830945 -0.19667303 4.99739754 0.851098 -4.42542872 -0.0421266 -1.70828581 0.48541812 -1.74099282 0.93261452 -1.19655016 5.11430099 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-14-7 5976 144212675 1,1-Dimethylhydrazine CN(C)N Tox21_302358 -NCGC00259426-01 196709257 tox21-ror-cho-viability-p1 set2 4 67.6142539768 -18.776869824 -0.5 -19.276869824 3.2974983358 0.8185084755 0.0053479472 1.42396569 0.82076189 -5.30034098 -0.25030666 -0.30543417 -1.08295665 0.02270816 0.70595959 -0.29525612 -3.14640615 0.48343835 -0.12347474 -1.5915482 -3.30332903 -14.39739152 1.166E-9 2.6069999999E-9 5.829E-9 1.303E-8 2.9149999999E-8 6.517E-8 1.457E-7 3.259E-7 7.286E-7 0.000001629 0.0000036429999999 0.000008146 0.00001822 0.00004073 0.000091079999999 19666-30-9 29732 144209075 A A Oxadiazon O=C2OC(=NN2c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C Tox21_201877 -NCGC00258094-01 196730050 tox21-ror-cho-viability-p1 set3 -2.4 54.5380840886 -23.49882606 -0.5 -23.99882606 3.5117481694 0.7834932894 0.0110765565 1.62085837 -7.16959663 1.31596653 0.76757165 1.19719626 2.09294498 -6.54767456 -1.24094306 1.87255879 0.0773044 1.93865907 1.08226489 -1.0294689 -6.93545122 -20.83235505 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.952E-8 6.6E-8 1.476E-7 3.3E-7 7.379E-7 0.0000016499999999 0.00000369 0.0000082499999999 0.000018449999999 0.00004125 0.000092239999999 1085-12-7 14138 144207738 A A Heptylparaben Oc1ccc(cc1)C(=O)OCCCCCCC Tox21_200540 -NCGC00258012-01 196730459 tox21-ror-cho-viability-p1 set3 4 -2.18430206 -2.00238307 -0.74867272 -1.33365315 -1.9960708 -0.37538464 0.021937 2.74859747 -0.4722322 5.11753175 -0.38842888 2.68450651 2.652169 2.03684083 5.80724282 1.1779999999E-9 2.635E-9 5.891E-9 1.3169999999E-8 2.9459999999E-8 6.587E-8 1.4729999999E-7 3.2929999999E-7 7.364E-7 0.0000016469999999 0.0000036819999999 0.000008233 0.000018409999999 0.00004117 0.000092049999999 3048-65-5 62475 144207656 FNS 3a,4,7,7a-Tetrahydroindene C1=CCC2CC=CCC12 Tox21_200458 -NCGC00257584-01 196730471 tox21-ror-cho-viability-p1 set3 4 1.95459588 0.84462798 0.71176018 -0.95459179 0.45152206 -0.7010284 1.85607299 1.3378205 0.91949565 -3.1210036 -1.31457921 -3.74182399 -1.60450987 -1.3915292 0.49855307 1.171E-9 2.6189999999E-9 5.856E-9 1.3089999999E-8 2.9279999999E-8 6.547E-8 1.464E-7 3.2729999999E-7 7.3189999999E-7 0.000001637 0.00000366 0.000008183 0.0000183 0.00004092 0.000091489999999 2935-90-2 18050 144207228 A A Methyl 3-sulfanylpropanoate O=C(OC)CCS Tox21_200030 -NCGC00259861-01 196708858 tox21-ror-cho-viability-p1 set2 4 0.22174878 2.02198131 0.46886412 5.1750749 -1.5838104 -0.35134746 -0.3650854 1.77809038 -2.93560302 -0.32249526 1.01257446 4.8483774 5.28643522 4.0805083 6.42557774 1.208E-9 2.702E-9 6.042E-9 1.3509999999E-8 3.021E-8 6.7549999999E-8 1.51E-7 3.3769999999E-7 7.552E-7 0.000001689 0.0000037759999999 0.0000084429999999 0.00001888 0.00004222 0.0000944 78-59-1 6544 144209510 B B Isophorone O=C1C=C(C)CC(C)(C)C1 Tox21_202312 -NCGC00259114-01 196709252 tox21-ror-cho-viability-p1 set2 4 0.0095409388 7.83429392 -8.83429392 -1 0.8999999999 0.3410828701 0.3300164264 -4.68650122 -14.8619116 0.00558952 -3.62588317 -4.97783056 -4.47504662 -1.4906207 -0.27772403 2.32980607 1.6676327 -1.10243524 -2.90994019 -2.28225423 -4.84792254 0.84174948 1.165E-9 2.605E-9 5.8259999999E-9 1.303E-8 2.9129999999E-8 6.514E-8 1.457E-7 3.2569999999E-7 7.2829999999E-7 0.000001628 0.000003641 0.000008142 0.00001821 0.00004071 0.00009103 58-93-5 3639 144208763 A A Hydrochlorothiazide NS(=O)(=O)c2cc1c(NCNS1(=O)=O)cc2Cl Tox21_201565 -NCGC00259712-01 196709253 tox21-ror-cho-viability-p1 set2 -2.4 69.8470682301 -23.768900884 -2 -25.768900884 4.9549173134 0.874157535 0.0010005015 -0.85670727 1.79109599 0.51656531 -3.59618048 -1.24595093 -1.40164831 -5.22079776 -3.5542499 -3.14437551 -3.15755926 -4.40593 -2.67677586 -3.06171041 -2.86290803 -21.47408407 1.198E-9 2.679E-9 5.991E-9 1.34E-8 2.996E-8 6.698E-8 1.4979999999E-7 3.3489999999E-7 7.4889999999E-7 0.000001675 0.000003745 0.000008373 0.000018719999999 0.000041859999999 0.000093609999999 108-19-0 7913 144209361 A Imidodicarbonic diamide NC(=O)NC(N)=O Tox21_202163 -NCGC00259908-01 196709260 tox21-ror-cho-viability-p1 set2 4 27.0008485839 18.07583092 1.42416908 19.5 1.4641 0.8400108648 0.0030474142 5.7447667 0.26636949 3.0432922 5.71979511 2.22288875 -0.4798591 3.43284528 1.5645442 0.71066034 0.30109163 1.50203521 4.81772857 7.40340981 13.73875936 16.34530258 1.1689999999E-9 2.6129999999E-9 5.843E-9 1.3069999999E-8 2.9209999999E-8 6.5329999999E-8 1.461E-7 3.2659999999E-7 7.304E-7 0.0000016329999999 0.000003652 0.000008166 0.00001826 0.000040829999999 0.00009129 92-87-5 7111 144209557 A A Benzidine Nc1ccc(cc1)c2ccc(N)cc2 Tox21_202359 -NCGC00259836-01 196709262 tox21-ror-cho-viability-p1 set2 4 0.02123172 1.03260961 1.54892737 0.827244 1.94186867 0.24832771 -1.09712173 2.56958546 -0.95402448 0.6240769 -1.18551189 -0.95637913 2.45940897 -0.06601984 -1.25988953 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3839999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004128 0.00009229 614-45-9 11966 144209485 D tert-Butyl perbenzoate CC(C)(C)OOC(=O)c1ccccc1 Tox21_202287 -NCGC00259660-01 196709670 tox21-ror-cho-viability-p1 set2 4 -1.47017584 1.47142876 0.49723889 -3.34066969 0.97053501 1.39005296 2.77598182 -0.62016085 1.93188578 2.01225876 -5.4350624 -2.19992894 -2.97707982 0.10031286 -1.80207698 1.202E-9 2.688E-9 6.01E-9 1.344E-8 3.005E-8 6.719E-8 1.5019999999E-7 3.359E-7 7.5119999999E-7 0.0000016799999999 0.0000037559999999 0.0000083989999999 0.00001878 0.00004199 0.0000939 122-99-6 31236 144209309 A A 2-Phenoxyethanol OCCOc1ccccc1 Tox21_202111 -NCGC00259478-01 196709678 tox21-ror-cho-viability-p1 set2 4 0.0818033181 9.861237408 -11.1851244159 -1.3238870079 0.9999999999 0.4454377963 0.2287581297 -4.16483945 -12.9002175 -13.76533513 -18.48760368 -2.38403848 -0.49737475 -13.16991716 -2.52289006 -0.26990584 -2.19115513 -0.33648643 -2.15273814 -1.81037669 -1.41150356 -0.41730913 1.128E-9 2.523E-9 5.641E-9 1.2609999999E-8 2.821E-8 6.307E-8 1.4099999999E-7 3.153E-7 7.0509999999E-7 0.0000015769999999 0.0000035259999999 0.000007884 0.00001763 0.00003942 0.000088139999999 78-82-0 6559 144209127 FNS 2-Methylpropanenitrile CC(C)C#N Tox21_201929 -NCGC00258821-01 196709679 tox21-ror-cho-viability-p1 set2 4 -5.37846212 0.69967274 0.49021369 -2.94772271 -2.41968177 2.34383268 -3.88275782 0.01004486 -2.81695277 -2.64652962 -3.30287008 -0.62874566 -2.37850486 -3.81556612 0.45526307 1.204E-9 2.693E-9 6.021E-9 1.346E-8 3.011E-8 6.732E-8 1.5049999999E-7 3.366E-7 7.527E-7 0.000001683 0.000003763 0.0000084149999999 0.00001882 0.00004208 0.00009408 101-55-3 7565 144208467 A A p-Bromodiphenyl ether Brc2ccc(Oc1ccccc1)cc2 Tox21_201269 -NCGC00015611-18 196712995 tox21-ror-cho-viability-p1 set2 4 33.4914596268 15.3229830439 -1.3229830439 14 4.9549173134 0.7586685285 0.0172492391 -3.19299494 -2.74861189 1.01959025 -1.03375361 0.51326333 -3.32986283 -1.91324646 -2.56423456 1.15919163 1.61871221 -2.55561633 -3.60248587 0.85531351 -2.01360818 11.89509313 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 137-58-6 3676 170464729 A Lidocaine O=C(Nc1c(C)cccc1C)CN(CC)CC Tox21_110183_1 -NCGC00178555-02 196717105 tox21-ror-cho-viability-p1 set2 4 0.0375780358 4.81599286 -4.81599286 0 1.221561 0.3623638889 0.3107221925 -6.92318822 -0.49691259 -4.13319924 -10.67999405 0.29978709 -3.61858516 0.37884261 -4.05867952 1.07749802 0.84820014 -2.47310437 -0.63929614 0.0551078 1.22289289 0.57499437 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 219861-08-2 146571 170465453 A Escitalopram oxalate O=C(O)C(=O)O.CN(C)CCC[C@]2(OCc1cc(ccc12)C#N)c3ccc(F)cc3 Tox21_111535_1 -NCGC00167525-02 196717107 tox21-ror-cho-viability-p1 set2 4 29.8492948118 11.4532774799 -0.9532774799 10.5 4.5044702849 0.8017924235 0.0079037797 -1.61903333 0.30618382 -0.04215262 -3.2943979 -2.54022491 0.96653847 -1.44376871 0.85082987 -0.53705376 -2.43496413 -0.83504355 -2.49683209 -1.87689646 0.95149915 8.91736788 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118292-40-3 5381 170464671 A Tazarotene O=C(OCC)c1ccc(nc1)C#Cc2ccc3SCCC(C)(C)c3c2 Tox21_112522_1 -NCGC00163818-04 196713812 tox21-ror-cho-viability-p1 set2 -2.4 10.8707224818 -28.9693815439 1.5 -27.4693815439 0.6999999999 0.9172833605 0.0001231603 2.87107117 3.35648782 -1.29068307 -0.10476794 2.65718824 -1.45579028 -0.62136137 3.15766523 -0.66341704 -2.62429927 -13.26352272 -11.84388358 -12.81380163 -18.14534792 -23.72448462 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00253752-01 196713395 tox21-ror-cho-viability-p1 set2 -2.4 10.3183374548 -31.972715096 0 -31.972715096 1.0999999999 0.9509026377 0.0000076584 0.05844223 -0.58051699 0.83636448 1.0612417 -0.76881524 0.15124593 -2.02710099 -0.63672169 0.0693956 -0.56677387 -2.85344061 -2.98178831 -12.63284249 -12.62540451 -23.72726258 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 67199-66-0 71750 170466457 A A Daniquidone Nc1ccc2N=C3c4ccccc4C(=O)N3Cc2c1 Tox21_113867 -NCGC00160366-02 196713806 tox21-ror-cho-viability-p1 set2 -3 29.8492948118 -51.129443479 -0.602862601 -51.73230608 4.5044702849 0.9927695148 1E-10 -0.70803384 -1.50780033 -1.70887341 -1.65166282 -1.68807199 0.57534351 -1.14531075 0.83503761 -2.09515861 -0.78337443 -1.41328943 -0.5354559 0.68777228 -8.82043157 -45.1935884 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4822-44-0 10382 170466861 C Thioglycolic acid anilide O=C(Nc1ccccc1)CS Tox21_113043_1 -NCGC00179541-03 196713813 tox21-ror-cho-viability-p1 set2 4 -0.18674462 -6.93601497 0.46146495 -3.94629018 -4.7443266 -3.68519209 -2.06297207 -2.6672657 -3.36143272 -0.9606134 -4.77787443 -3.69057226 -1.24574762 -1.05810237 0.89331396 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51781-21-6 40127 170465122 Ac Carteolol hydrochloride Cl.CC(C)(C)NCC(O)COc1cccc2NC(=O)CCc12 Tox21_110654_1 -NCGC00016916-11 196713816 tox21-ror-cho-viability-p1 set2 2.1 26.6032120037 107.1904814006 0.390884917 107.5813663176 2.3031167061 0.9974140175 0 1.08452629 -1.20839339 1.68365501 0.5497197 0.40414163 -0.89846019 -0.14557978 0.46048911 0.18848623 -0.05676508 1.90767099 0.24477328 10.8806322 37.01151214 85.38203676 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 70458-96-7 4539 170464769 A Norfloxacin O=C(O)C2=CN(CC)c1cc(c(F)cc1C2=O)N3CCNCC3 Tox21_110682_1 -NCGC00015501-09 196713823 tox21-ror-cho-viability-p1 set2 4 0.64440334 3.2023446 -5.05923069 0.67032366 1.64624667 -0.24810178 0.67394328 0.47234465 0.38214283 0.52146902 1.46763316 0.39102185 1.07162566 -0.82122882 0.25054762 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 304-20-1 9351 170464806 Z Apresoline Cl.NNc2nncc1ccccc12 Tox21_110163_1 -NCGC00254473-01 196714231 tox21-ror-cho-viability-p1 set2 4 -0.06465791 0.7695591 2.24769807 -0.38844914 1.04455771 2.53018111 4.44444098 1.43758312 2.62280839 2.93857269 0.61107261 6.17594472 6.11161738 5.90000756 3.27077999 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-23-1 7641 144210881 A F Di(2-ethylhexyl) adipate O=C(CCCCC(=O)OCC(CC)CCCC)OCC(CCCC)CC Tox21_300564 -NCGC00254375-01 196714232 tox21-ror-cho-viability-p1 set2 4 0.92872338 2.85528423 5.71356997 -0.00058159 3.50519113 2.36084642 1.09092985 -8.49018235 3.37228621 1.89659432 0.19238469 1.41743449 4.5094621 1.60874528 -0.03155379 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 171866-31-2 10021362 144210749 A A CP-283097 Fc1ccc(cc1)C2(O)CCN(CC2)[C@@H]4COc3cc(O)ccc3[C@@H]4O Tox21_300431 -NCGC00254568-01 196714238 tox21-ror-cho-viability-p1 set2 4 1.62274921 -5.91849383 -0.9374118 -6.39349553 -4.45770329 -2.35627697 -8.89053283 -5.30178787 -8.41598174 1.06381594 -0.69762091 -5.25684908 1.60338563 -0.99837676 -0.21855503 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 83-42-1 6740 144210977 A Ac 1-Chloro-2-methyl-3-nitrobenzene Cc1c(cccc1Cl)[N+]([O-])=O Tox21_300660 -NCGC00357225-01 196723997 tox21-ror-cho-viability-p1 set3 4 0.0084126743 15.725198188 -8.225198188 7.5 0.3 0.7207209763 0.0298643032 -6.02099849 -2.64272691 3.33226784 -1.17650644 -0.2052378 -1.0037618 3.49396621 2.60801646 2.11537094 3.68696712 4.10788649 9.04324729 6.23225245 4.06282622 6.85132085 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104-87-0 7725 251919762 Bc 4-Methylbenzaldehyde Cc1ccc(C=O)cc1 Tox21_304012 -NCGC00263542-01 196723580 tox21-ror-cho-viability-p1 set3 4 8.4126743008 -6.792638168 -0.5 -7.292638168 4.9549173134 0.4832516989 0.1952767588 -2.48108498 -2.49541683 0.1996181 -0.34887775 -0.24332859 -2.21278976 0.30254487 1.66740642 -3.08433216 6.04182115 -5.33433249 2.20502775 -4.73838201 -7.04497304 -7.74386514 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 120210-48-2 54704052 170466575 F Tenidap O=C(c1c(O)n(C(N)=O)c2ccc(Cl)cc12)c3cccs3 Tox21_111757_1 -NCGC00090702-02 196723596 tox21-ror-cho-viability-p1 set3 4 21.6899429044 -11.2365600639 4.5 -6.7365600639 4.9549173134 0.5006435244 0.178189347 2.12933275 0.62878067 0.35934413 13.45840553 3.54734359 3.52555496 -0.7261049 0.53260722 8.55977253 5.40841141 9.91873432 6.0239274 1.74894753 -7.28046672 -6.16956846 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00357004-01 196723993 tox21-ror-cho-viability-p1 set3 4 -6.25289301 -2.52320727 -0.28208865 -3.20903027 3.18505756 -2.52558851 -1.16927876 0.98884177 -1.2133336 -8.87274049 -1.8963384 -12.26330524 -8.15527577 -0.55047113 2.15194463 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140939-15-7 23664984 251919987 C Alachlor ESA, sodium salt [Na+].[O-]S(=O)(=O)CC(=O)N(COC)c1c(cccc1CC)CC Tox21_303958 -NCGC00163818-04 196723998 tox21-ror-cho-viability-p1 set3 -2.2 32.674068997 -38.222580612 -0.5 -38.722580612 0.6 0.9011898366 0.00030397 -2.0174894 -0.26294246 1.71102641 -0.0125833 1.01435653 -2.52633268 -1.18259675 -3.70488067 -3.62215555 -12.52878152 -5.12123543 -11.6927655 -14.03164478 -18.34789984 -30.60215051 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00260622-01 196724016 tox21-ror-cho-viability-p1 set3 4 0.0133331902 6.889432484 -6.889432484 0 2.5334283767 0.4971482934 0.1822171455 -7.24479273 -3.417354 -10.32452707 -5.21413872 -3.0903623 -1.77317364 2.51222935 1.93915154 -4.33511918 -5.13018746 -2.12107458 3.04220762 -2.3900776 2.07341053 3.21804057 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49518 144210275 M M NTP Mix99 ER1 10-EQC Tox21_203077 -NCGC00261967-01 196697838 tox21-ror-cho-viability-p1 set1 4 8.4126743008 -23.631762532 4 -19.631762532 1.372261 0.8297591624 0.003984955 1.59108081 4.30233416 5.90145123 -3.86401175 2.2594893 6.1371316 6.24301774 5.80622764 2.51813965 6.84393295 4.39049752 -7.54197663 -7.58199585 -11.73956001 -18.85980211 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118244-44-3 5282229 170466045 F A Prednisolone farnesylate C/C(C)=C\CCC(\C)=C\CCC(/C)=C/C(=O)OCC(=O)[C@@]4(O)CC[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_113887 -NCGC00274058-01 196697842 tox21-ror-cho-viability-p1 set1 4 0.30431121 0.16981633 0.4343696 0.96641268 -0.48825503 -4.70768717 -0.86132421 3.51265979 0.80738764 0.45184831 -6.22768001 -4.7595495 0.02762201 1.70616619 2.43948827 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 465-65-6 5284596 170465008 A Naloxone O=C1CC[C@@]5(O)[C@H]2Cc4ccc(O)c3O[C@@H]1[C@]5(CCN2CC=C)c34 Tox21_112006_1 -NCGC00166125-02 196697843 tox21-ror-cho-viability-p1 set1 4 -2.27667962 -0.28022946 -0.33942735 -0.7248554 -0.31126115 -1.42499232 -0.24979778 4.20818832 -1.39185645 0.40409584 -0.83569575 -1.40172652 -0.10393262 -0.08061684 -0.69371034 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6284-40-8 8567 170465359 Z Meglumine O[C@H]([C@@H](O)CNC)[C@H](O)[C@H](O)CO Tox21_112330_1 -NCGC00091380-04 196721156 tox21-ror-cho-viability-p1 set3 4 -2.38431134 -3.6221588 -2.96875649 -5.848801 -0.08740203 -6.32442226 -8.27070528 -10.87453718 -7.45848481 -1.45683424 -17.64638428 -4.94459794 -2.09811314 3.5986324 -3.68883095 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00254434-01 196720751 tox21-ror-cho-viability-p1 set3 4 0.44653558 7.02973557 1.45858267 4.02848009 10.53445022 2.90335923 -0.92840635 3.7410396 -1.73707993 12.49448046 2.81925184 -4.08127412 8.70522032 -3.58834864 0.35935204 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 647-42-7 69537 144210837 A 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol FC(F)(C(F)(F)CCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300519 -NCGC00254023-01 196720764 tox21-ror-cho-viability-p1 set3 1.1 22.1761097005 66.65508821 -13.20533671 53.4497515 4.0949729863 0.954891944 0.00000477 -11.17520257 -15.99119892 -8.82100968 -0.31465698 -11.76133453 -14.36790228 -13.25486628 -15.34516014 -17.67342855 -23.4974683 -13.33524599 -11.05317018 11.0924694 50.61020654 51.4187842 1.202E-9 2.688E-9 6.0109999999E-9 1.344E-8 3.005E-8 6.7199999999E-8 1.503E-7 3.36E-7 7.5129999999E-7 0.0000016799999999 0.0000037569999999 0.0000084 0.00001878 0.000042 0.00009392 51-21-8 3385 144210432 A A 5-Fluorouracil FC1=CNC(=O)NC1=O Tox21_300112 -NCGC00183024-01 196713068 tox21-ror-cho-viability-p1 set2 4 26.6032120037 -31.48318914 3.5 -27.98318914 1.331 0.8523726316 0.0021014903 7.31533088 2.84071182 4.41688347 5.31313388 9.10672079 -0.18159147 2.45267981 1.0290126 1.38472824 0.55239652 1.3013652 1.94289312 -4.81525737 -7.12295108 -19.98599095 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57132-53-3 4921 144206876 A A Proglumetacin CCCN(CCC)C(=O)C(NC(=O)c1ccccc1)CCC(=O)OCCCN5CCN(CCOC(=O)Cc4c2cc(OC)ccc2n(C(=O)c3ccc(Cl)cc3)c4C)CC5 Tox21_113325 -NCGC00091284-03 196712656 tox21-ror-cho-viability-p1 set2 4 2.4336516212 -22.588545268 6.5 -16.088545268 0.3 0.7428776559 0.0217718739 3.15523192 5.60294442 0.81872544 3.1105307 3.71936478 -2.47093922 3.64129986 -1.3061608 -6.35348963 -2.0450098 -8.69123199 -5.08988994 -3.03965313 -14.24045439 -10.02888855 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00179492-03 196713065 tox21-ror-cho-viability-p1 set2 4 3.37712978 4.34984326 4.50538856 2.61848517 6.04084684 4.33927992 4.09932037 0.1865991 0.29421748 1.05571081 2.10107342 0.48263373 2.29930399 2.6116595 5.36639447 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3385-03-3 82153 170465331 A Flunisolide OCC(=O)[C@@]54OC(C)(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3C[C@H](F)C1=CC(=O)C=C[C@@]12C Tox21_110725_1 -NCGC00183046-03 196713468 tox21-ror-cho-viability-p1 set2 -3 29.8492948118 -41.0572841339 1.4733612549 -39.583922879 4.9549173134 0.9352289477 0.0000341219 4.93284255 2.93657414 0.15694354 0.98424088 3.21952976 4.21871434 4.03914075 -0.93565967 0.12170718 0.42881207 -1.69002669 -0.24987087 -3.96631659 -2.40925254 -35.59993235 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 29216-28-2 4066 170465794 A Mequitazine c3ccc4Sc5ccccc5N(CC2CN1CCC2CC1)c4c3 Tox21_113648_1 -NCGC00015397-10 196713472 tox21-ror-cho-viability-p1 set2 4 -0.68680936 -0.10307367 1.29881718 -0.00102781 -0.26393214 0.61732574 0.32316466 -0.48144166 3.61441776 -0.83752945 1.68455623 0.84622041 -0.22493892 3.56385792 4.12598757 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 304-84-7 9363 170466295 A Ethamivan Oc1ccc(cc1OC)C(=O)N(CC)CC Tox21_110135_1 -NCGC00256113-01 196710176 tox21-ror-cho-viability-p1 set2 4 0.685896219 4.07038348 -2.07038348 2 4.9549173134 0.3668442155 0.307018167 -1.78861754 0.23499331 0.02581157 0.60562331 1.72342319 -4.39754524 -8.8086529 -2.23617515 0.6163195 1.39987297 2.97187093 1.88763469 0.7615325 1.13449342 4.04149239 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 83016-70-0 3086157 144211828 A A 2-[{2-[2-(Dimethylamino)ethoxy]ethyl}(methyl)amino]ethanol CN(C)CCOCCN(C)CCO Tox21_301511 -NCGC00163903-03 196710164 tox21-ror-cho-viability-p1 set2 4 -5.78953565 -3.93290848 -7.19223641 -7.54546313 1.82175939 -1.55862801 -2.79820798 -3.79511086 1.19093342 -3.33636942 0.31188173 0.78473957 -0.00132896 -0.85227145 -4.16110842 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00255603-01 196710167 tox21-ror-cho-viability-p1 set2 4 2.18367086 0.26941887 0.76018583 1.46833354 3.15081861 2.70186532 -0.4812978 0.81824784 1.50987304 2.47541431 0.44870966 0.66638558 0.51591419 0.52195676 6.82966737 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 53219-21-9 29096 144212708 A A Dihydromyrcenol CC(C)(O)CCCC(C)C=C Tox21_302391 -NCGC00255158-01 196710170 tox21-ror-cho-viability-p1 set2 4 0.4855773367 4.040771164 -3.540771164 0.5 4.9549173134 0.4549701964 0.240260339 -0.01311566 -2.88251892 -3.80411501 -4.82171064 -2.92125583 -7.53397597 -2.46611712 -4.18842402 2.16802592 -0.99844306 -0.20615162 -3.35934211 2.16309063 2.51284396 -6.51050146 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-27-3 6525 144212423 A B 1-Ethynylcyclohexanol C#CC1(O)CCCCC1 Tox21_302106 -NCGC00256296-01 196710185 tox21-ror-cho-viability-p1 set2 4 24.3365162115 -16.7219917599 0 -16.7219917599 2.8472712143 0.7659343493 0.0151364836 -6.52137782 3.15169185 -0.66154957 1.30635644 -0.5365992 3.62933415 -5.41077317 1.79948674 2.20106406 -0.49234473 2.89722774 -2.74316867 -4.68443081 -14.6217881 -15.6016598 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16588-34-4 85505 144211929 Cc A 4-Chloro-3-nitrobenzaldehyde O=[N+]([O-])c1cc(ccc1Cl)C=O Tox21_301612 -NCGC00255549-01 196710186 tox21-ror-cho-viability-p1 set2 -2.4 42.2991236024 -30.619816412 1 -29.619816412 1.3987170999 0.9045980215 0.000255898 -1.29901541 6.05913661 0.17092753 2.72589166 -0.17324356 -0.95840812 0.47271776 -0.94670807 1.21902609 2.01012037 -1.07032054 -0.46400023 -6.00236786 -9.5852705 -21.34984701 9.5559999999E-10 2.137E-9 4.778E-9 1.068E-8 2.389E-8 5.342E-8 1.194E-7 2.671E-7 5.972E-7 0.000001335 0.000002986 0.0000066769999999 0.00001493 0.00003339 0.00007465 4162-45-2 20113 144212048 A A Tetrabromobisphenol A bis(2-hydroxyethyl) ether Brc1cc(cc(Br)c1OCCO)C(C)(C)c2cc(Br)c(OCCO)c(Br)c2 Tox21_301731 -NCGC00256053-01 196710920 tox21-ror-cho-viability-p1 set2 4 -2.27488084 -9.54564231 -3.57204093 -1.67071617 -1.63698162 -1.71882586 -3.95802061 -2.73179486 -2.50882511 -2.26859139 -4.86499606 -4.96064972 -2.7827028 1.04426808 -5.46311166 1.1999999999E-9 2.683E-9 5.999E-9 1.3409999999E-8 2.999E-8 6.707E-8 1.5E-7 3.353E-7 7.499E-7 0.000001677 0.000003749 0.000008384 0.00001875 0.00004192 0.00009373 7360-44-3 16683978 144212560 Fc Aluminum hydroxide acetate (1:2:1) O[Al](O)OC(C)=O Tox21_302243 -NCGC00255262-01 196710917 tox21-ror-cho-viability-p1 set2 -2.1 61.130564862 -94.6570415945 1.8064387409 -92.8506028536 3.6772481694 0.9894211439 1.2E-9 5.11525983 1.45963372 1.01460139 1.17996029 5.91242861 0.44005165 2.87986602 0.63876075 -1.32273144 0.13557171 2.77381975 -1.53993122 2.44611376 -15.64089168 -76.02318398 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52-76-6 5284486 144212286 B A Lynestrenol C[C@]32CC[C@@H]1[C@H]4CCCC=C4CC[C@H]1[C@@H]3CC[C@]2(O)C#C Tox21_301969 -NCGC00256218-01 196710928 tox21-ror-cho-viability-p1 set2 2.3 24.3365162115 102.3104894918 1.3900416489 103.7005311407 4.9549173134 0.9954010347 0.0686064623 1.38032776 3.99338194 3.95203126 1.50877534 3.54936385 3.14685637 -0.05424995 -0.59674057 -0.21564736 1.1430709 -0.69243907 -66.80455241 19.8104027 97.0978756 6.67827463 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 40220-08-4 170286 144212047 B B (2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)triethane-2,1-diyl trisprop-2-enoate C=CC(=O)OCCN1C(=O)N(CCOC(=O)C=C)C(=O)N(CCOC(=O)C=C)C1=O Tox21_301730 -NCGC00255476-01 196710933 tox21-ror-cho-viability-p1 set2 4 -2.41674796 -5.46662823 3.15480472 1.78319192 -6.06162474 2.09350837 -0.58113704 -1.22348238 1.49628093 -0.29026943 -4.84542763 1.59202659 -6.26930734 -4.56924132 -1.94633708 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 541-53-7 2758725 144212266 A B 2,4-Dithiobiuret NC(=S)NC(N)=S Tox21_301949 -NCGC00357095-01 196711754 tox21-ror-cho-viability-p1 set2 -2.4 6.8589621897 -25.90072704 1 -24.90072704 0.4 0.8683710108 0.0012323809 -2.01888957 1.07986729 0.06353404 -0.15055924 -0.35360159 -3.28109402 -1.77875965 -10.02295138 -4.5332737 -7.58666526 -10.69630414 -15.75959981 -11.89128559 -12.8842934 -21.5839392 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 626-64-2 12290 251919931 A 4-Pyridinol Oc1ccncc1 Tox21_303817 -NCGC00091468-02 196711755 tox21-ror-cho-viability-p1 set2 4 0.0049398411 13.902565532 -5.902565532 8 4.9549173134 0.6522039655 0.0629706172 0.82451238 -12.41880461 5.1951255 7.21809567 4.42385341 3.53390122 9.13595499 9.62383046 7.50595485 9.02089161 8.38469455 9.60436573 9.44081159 4.21112906 10.7880566 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00255759-01 196710121 tox21-ror-cho-viability-p1 set2 -1.2 4.8557733675 -57.5917259909 -1.177067237 -58.7687932279 1.8851180601 0.9265803045 0.000281914 -3.21262295 2.40037447 -6.25269395 -4.1004272 1.05540054 0.2809939 -2.60170779 -1.59567337 -1.73405952 -8.26170704 -17.20102996 -54.3702979 -45.73875021 -32.84452436 -76.4250796 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 513-92-8 10568 144211945 Tetraiodoethene I/C(I)=C(/I)I Tox21_301628 -NCGC00259475-01 196709716 tox21-ror-cho-viability-p1 set2 4 56.2047437101 -18.187101616 -1 -19.187101616 1.8851180601 0.8295376109 0.0040654443 -0.21263095 0.47448637 -0.77953377 -5.86053719 -1.80046238 -0.31670729 1.24123944 -1.88476529 -1.65340884 -1.53936951 0.99989644 -1.93151112 -3.37312566 -7.44602796 -14.32258468 1.211E-9 2.7079999999E-9 6.056E-9 1.3539999999E-8 3.028E-8 6.771E-8 1.514E-7 3.385E-7 7.57E-7 0.000001693 0.0000037849999999 0.0000084629999999 0.00001892 0.00004232 0.00009462 62-44-2 4754 144209124 A A Phenacetin CCOc1ccc(cc1)NC(C)=O Tox21_201926 -NCGC00259960-01 196709719 tox21-ror-cho-viability-p1 set2 4 2.65517306 0.89282881 5.10415718 1.80129385 0.92340269 2.00657363 1.01095382 0.66068585 0.8630663 -0.94663552 1.93470459 4.71543404 4.2205213 1.36580062 2.85846519 1.1389999999E-9 2.548E-9 5.697E-9 1.2739999999E-8 2.849E-8 6.37E-8 1.424E-7 3.185E-7 7.1209999999E-7 0.000001592 0.000003561 0.000007962 0.0000178 0.00003981 0.00008902 542-56-3 10958 144209609 D Isobutyl nitrite CC(C)CON=O Tox21_202411 -NCGC00255293-01 196710110 tox21-ror-cho-viability-p1 set2 4 6.88551039 -0.00590788 2.4112321 2.44502628 -1.23821262 2.4390479 0.44467033 -0.81339877 1.19194744 1.62314304 -0.97399531 1.2884595 2.72511472 -0.92293485 0.72099036 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4602-84-0 445070 144212351 Ac Cc Farnesol C/C(C)=C\CCC(\C)=C\CCC(\C)=C\CO Tox21_302034 -NCGC00255348-01 196710527 tox21-ror-cho-viability-p1 set2 4 -1.53549253 -1.5395729 -1.38621677 -2.063467 -0.03665639 -2.87556889 -3.95536446 0.06333197 -1.16573508 -1.66719422 1.42099233 -1.03795844 -0.44727531 -4.06787238 1.04171642 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76824-35-6 3325 144212144 A A Famotidine N/C(N)=N/c1nc(CSCCC(\N)=N/S(N)(=O)=O)cs1 Tox21_301827 -NCGC00255750-01 196710944 tox21-ror-cho-viability-p1 set2 4 0.0043277126 8.434500684 -9.934500684 -1.5 4.9549173134 0.701408323 0.0381945165 -7.5171183 -12.02875057 -0.66750847 -1.35350376 -0.93640993 -1.81869694 0.51427971 -4.57858366 -2.25668109 -2.48167859 -1.1324985 1.15622839 -2.57676442 -2.85520088 -2.50527937 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 552-45-4 11093 144212477 A Ac 1-(Chloromethyl)-2-methylbenzene Cc1ccccc1CCl Tox21_302160 -NCGC00258336-01 196716301 tox21-ror-cho-viability-p1 set2 4 -0.89969507 -0.07502047 0.29392799 2.05465661 -0.25633477 -2.28321942 1.91624989 -1.28932014 -0.41955661 0.2026321 -0.09607808 -2.80350837 -2.46951596 -1.38768613 0.2340997 1.21E-9 2.706E-9 6.051E-9 1.353E-8 3.0259999999E-8 6.766E-8 1.5129999999E-7 3.3829999999E-7 7.564E-7 0.000001691 0.000003782 0.000008457 0.00001891 0.000042289999999 0.00009455 4169-04-4 20129 144207980 A A 2-Phenoxy-1-propanol CC(CO)Oc1ccccc1 Tox21_200782 -NCGC00257990-01 196715894 tox21-ror-cho-viability-p1 set2 4 0.75491658 2.06922812 1.32270224 -0.01274133 1.49292866 2.06274474 -0.48256426 -0.49926164 5.19884398 -0.83289931 -0.31897025 0.27956417 0.36358289 2.24135293 -0.85725263 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.4699999999E-7 3.2859999999E-7 7.3479999999E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004108 0.00009185 108-11-2 7910 144207634 A A 4-Methyl-2-pentanol CC(C)CC(C)O Tox21_200436 -NCGC00258071-01 196715899 tox21-ror-cho-viability-p1 set2 4 3.21191301 1.33480852 3.53281481 1.12799649 4.99949127 5.23649326 -0.90643415 3.01423301 4.58840878 2.64093391 2.99256131 3.55076262 2.81174262 1.18992717 -0.08969058 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.000041429999999 0.000092629999999 540-23-8 10891 144207715 A A 4-Methylaniline hydrochloride Cl.Cc1ccc(N)cc1 Tox21_200517 -NCGC00258522-01 196715905 tox21-ror-cho-viability-p1 set2 4 0.20837253 -0.49400945 0.21059329 0.42825968 2.03656215 -2.62486831 -1.10148564 0.43007418 -0.00595707 -6.38335044 -5.93389947 1.628302 0.42231489 -3.32128109 -2.12925468 1.154E-9 2.5809999999E-9 5.772E-9 1.291E-8 2.886E-8 6.453E-8 1.443E-7 3.227E-7 7.215E-7 0.0000016129999999 0.000003607 0.000008066 0.000018039999999 0.000040329999999 0.00009018 106-38-7 7805 144208167 AC Fns 4-Bromotoluene Cc1ccc(Br)cc1 Tox21_200969 -NCGC00258329-01 196729630 tox21-ror-cho-viability-p1 set3 4 23.8177165884 -8.080349748 2 -6.080349748 4.9549173134 0.35460661 0.3341880089 0.71915882 2.52101763 5.26150295 3.76758383 -1.04634007 -0.15283755 4.41400461 -2.35558327 4.98600948 -2.67862527 3.99690551 5.25361005 0.04382516 -5.48362479 -1.06563567 1.159E-9 2.591E-9 5.793E-9 1.2949999999E-8 2.8969999999E-8 6.4769999999E-8 1.448E-7 3.239E-7 7.2419999999E-7 0.0000016189999999 0.0000036209999999 0.000008096 0.0000181 0.000040479999999 0.00009052 87-65-0 6899 144207973 Z Z 2,6-Dichlorophenol Clc1cccc(Cl)c1O Tox21_200775 -NCGC00258656-01 196729215 tox21-ror-cho-viability-p1 set3 4 1.38656049 -1.21307527 3.6529271 -1.94350655 1.98058479 2.64701034 1.45347244 2.17975531 3.39027888 1.30873899 1.33217315 3.24725873 0.82962388 0.89579352 1.07146305 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004127 0.00009229 65-86-1 967 144208302 A A Orotic acid OC(=O)c1cc(O)nc(O)n1 Tox21_201104 -NCGC00258328-01 196729220 tox21-ror-cho-viability-p1 set3 4 -1.15800416 0.55368232 2.5147899 1.58093328 1.10629065 1.21249358 -1.09619952 0.01404393 -0.73610242 2.92236658 1.11883215 2.91901176 -0.00756166 -2.49435577 -0.88727231 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.9669999999E-8 6.635E-8 1.484E-7 3.318E-7 7.4189999999E-7 0.000001659 0.000003709 0.000008294 0.00001855 0.000041469999999 0.00009273 540-59-0 10900 144207972 FNS 1,2-Dichloroethylene ClC=CCl Tox21_200774 -NCGC00258244-01 196729621 tox21-ror-cho-viability-p1 set3 4 3.0887284532 -16.1547576079 4 -12.1547576079 0.3 0.5783439863 0.1135455225 1.12345124 3.09077749 2.07493649 3.20264945 -0.08027176 -0.31798307 0.01250663 0.35575192 -1.40580595 -11.79563134 -1.28249764 0 -8.78183689 -5.46965101 -9.86055028 1.188E-9 2.657E-9 5.941E-9 1.3279999999E-8 2.9699999999E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016609999999 0.000003713 0.000008303 0.00001856 0.000041509999999 0.00009282 638-29-9 61186 144207888 D Valeryl chloride CCCCC(Cl)=O Tox21_200690 -NCGC00258767-01 196730034 tox21-ror-cho-viability-p1 set3 4 0.0487059136 -9.6821779599 8.5 -1.1821779599 1.24751 0.7264051012 0.0348050601 11.51386922 2.1520612 9.92373927 9.02445903 4.55604138 1.12849281 1.94059268 -0.08707936 1.05072763 -3.4851483 1.28740416 -3.28289257 -2.08900088 -0.61080768 3.65633358 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 328-42-7 970 144208413 FC 2-Oxobutanedioic acid O=C(O)C(=O)CC(=O)O Tox21_201215 -NCGC00258102-01 196730045 tox21-ror-cho-viability-p1 set3 -2.2 47.8672260671 -65.9240313814 -0.812243063 -66.7362744444 1.4641 0.9464114919 0.0000122758 1.11335003 2.56464696 0.75845052 -0.77297984 0.48829123 0.78513837 0.511879 -5.12061199 0.87042834 -3.52100328 -9.20921782 -10.30378381 -10.66393683 -26.21070399 -50.55778367 1.166E-9 2.6069999999E-9 5.8279999999E-9 1.303E-8 2.9139999999E-8 6.516E-8 1.457E-7 3.2579999999E-7 7.286E-7 0.000001629 0.0000036429999999 0.0000081449999999 0.00001821 0.00004073 0.00009107 38713-56-3 586708 144207746 A A Nonylparaben Oc1ccc(cc1)C(=O)OCCCCCCCCC Tox21_200548 -NCGC00257567-01 196730047 tox21-ror-cho-viability-p1 set3 4 -1.21586016 -0.62558693 -2.33895424 -0.23693768 -0.64728766 1.82038187 1.69880815 1.9436904 1.14319374 -0.43809055 0.18991837 -26.17820367 -4.00274444 0.96621908 3.3985632 1.165E-9 2.606E-9 5.827E-9 1.303E-8 2.9129999999E-8 6.514E-8 1.457E-7 3.2569999999E-7 7.2829999999E-7 0.000001629 0.0000036419999999 0.000008143 0.00001821 0.00004071 0.00009104 2530-87-2 62449 144207211 D (3-Chloropropyl)trimethoxysilane CO[Si](CCCCl)(OC)OC Tox21_200013 -NCGC00257614-01 196730051 tox21-ror-cho-viability-p1 set3 4 -12.94972244 -16.39305727 -8.87740546 -0.49932463 0.29905941 -9.65719749 -17.36549574 -0.27379755 -26.82576415 -1.71050441 0 -19.6777446 -7.97916193 -8.57400999 -2.20153213 1.218E-9 2.7239999999E-9 6.092E-9 1.3619999999E-8 3.046E-8 6.811E-8 1.5229999999E-7 3.405E-7 7.6149999999E-7 0.000001703 0.0000038069999999 0.0000085139999999 0.000019039999999 0.00004257 0.00009518 75-97-8 6416 144207258 FNS 3,3-Dimethyl-2-butanone CC(C)(C)C(C)=O Tox21_200060 -NCGC00258318-01 196730054 tox21-ror-cho-viability-p1 set3 4 0.54113832 0.53473538 0.22027986 -2.60199656 0.70377248 -3.67907955 -0.03767025 0.32168646 4.43635048 2.69713966 0.76103345 0.96789474 2.91693438 -0.67400931 4.26451098 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 623-91-6 638144 144207962 A A Diethyl (2E)-but-2-enedioate O=C(/C=C/C(=O)OCC)OCC Tox21_200764 -NCGC00090874-04 196730461 tox21-ror-cho-viability-p1 set3 4 1.35243151 -1.34699416 0.23549532 1.5042531 2.57007113 -0.17603481 2.07931099 0.3451035 0.59679336 0.23940349 0.20632146 1.71539784 2.70257586 0.75092227 -1.51229961 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00015072-10 196722364 tox21-ror-cho-viability-p1 set3 4 26.6032120037 18.730365428 -1.730365428 17 4.0949729863 0.5723793246 0.5578748449 -55.66119615 0.76350637 -4.57645448 -5.28231238 -7.01310068 -7.69197119 -5.96081855 3.88824641 2.38472367 3.42825145 2.86333138 -1.32559219 0.13912679 2.71066984 15.5326829 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 34118-92-8 71417 170466151 A Acecainide hydrochloride Cl.O=C(C)Nc1ccc(cc1)C(=O)NCCN(CC)CC Tox21_111206_1 -NCGC00164491-02 196722372 tox21-ror-cho-viability-p1 set3 4 33.4914596268 23.2773331639 -1.2773331639 22 4.9549173134 0.5809409991 0.1110856071 6.89536206 -1.81657715 -1.7564651 -4.37305816 1.22338772 7.46910148 0.45201978 -0.61112408 -3.45110298 -0.50033378 -1.75306674 -8.98111097 -5.72994901 -0.75360997 18.36946512 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59160-29-1 42963 170466325 D Lidofenin O=C(Nc1c(C)cccc1C)CN(CC(=O)O)CC(=O)O Tox21_112129_1 -NCGC00259640-01 196721967 tox21-ror-cho-viability-p1 set3 4 0.0935452072 5.1250101399 -6.1250101399 -1 4.4494702849 0.5939809071 0.1026697747 -5.6619841 -2.23795271 -8.43750845 -5.12651156 -7.92421519 -8.07223968 1.70209775 -0.87518562 -0.86096944 1.69538773 -4.43028393 -0.88933233 -2.30532534 0.31240043 -1.82762559 1.146E-9 2.563E-9 5.732E-9 1.282E-8 2.866E-8 6.4079999999E-8 1.433E-7 3.204E-7 7.165E-7 0.000001602 0.0000035819999999 0.00000801 0.00001791 0.00004005 0.00008956 91-59-8 7057 144209289 A A 2-Naphthylamine Nc1ccc2ccccc2c1 Tox21_202091 -NCGC00179676-03 196722359 tox21-ror-cho-viability-p1 set3 4 -2.78988411 0.52167484 -1.35715225 0.91867063 0 -0.21982682 1.31542087 -0.77514255 -0.70886134 0.36759447 -2.13148319 3.82969805 -2.91507032 4.75171668 2.30434927 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52-76-6 5284486 170465984 F Lynestrenol C[C@]32CC[C@@H]1[C@H]4CCCC=C4CC[C@H]1[C@@H]3CC[C@]2(O)C#C Tox21_110319_1 -NCGC00091888-09 196722374 tox21-ror-cho-viability-p1 set3 4 26.6032120037 21.350565896 0.649434104 22 0.8999999999 0.4028576643 0.2690954356 1.07136879 14.99187397 -2.76027062 2.96226619 -3.49882692 -3.64872469 -4.87547158 0.70815135 -2.55318849 4.48441906 4.3795155 7.5987889 5.83885021 4.79319511 18.03524438 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118-56-9 8362 170465478 F 3,3,5-Trimethylcyclohexyl salicylate O=C(OC1CC(C)CC(C)(C)C1)c2ccccc2O Tox21_111174_1 -NCGC00016026-10 196722378 tox21-ror-cho-viability-p1 set3 4 -9.51326832 -15.10134305 -5.97483855 -9.68937836 -7.99838303 -9.55936438 -10.84740123 -9.84685096 -3.5016698 -10.42468 -11.44756743 -10.33965444 -14.73012464 -10.48100697 -5.61676719 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63074-08-8 44383 170465073 A Terazosin hydrochloride Cl.O=C(N1CCN(CC1)c3nc2cc(OC)c(OC)cc2c(N)n3)C4CCCO4 Tox21_110674_1 -NCGC00015608-11 196722770 tox21-ror-cho-viability-p1 set3 4 -4.95231709 -1.78277219 -4.33195638 -3.68628456 -3.71648507 1.6810196 -5.02214383 1.71149926 1.93361762 -0.09581309 2.91772368 -2.31826619 -3.15510094 -1.83033189 2.63291229 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53179-11-6 3955 170464852 A Loperamide hydrochloride CN(C)C(=O)C(CCN1CCC(O)(CC1)c2ccc(Cl)cc2)(c3ccccc3)c4ccccc4 Tox21_110180_1 -NCGC00247698-01 196722778 tox21-ror-cho-viability-p1 set3 1.4 1.036535258 22.054909836 -12.554909836 9.5 4.4494702849 0.8956986475 0.0003973514 -11.56267458 -9.90824343 -11.92327818 -6.64632059 -13.59642909 -14.32148779 -15.78870961 -15.87909153 -7.04113406 12.7782402 12.42891826 11.68794024 8.23828114 9.50397166 0.62493208 1.374E-9 3.072E-9 6.869E-9 1.536E-8 3.434E-8 7.6799999999E-8 1.7169999999E-7 3.84E-7 8.586E-7 0.00000192 0.000004293 0.0000096 0.00002147 0.000048 0.00010729999999 50505-88-9 60196325 144206401 A A R-(-)-2,5-Dimethoxy-4-methylamphetamine hydrochloride Cl.COc1cc(C)c(cc1C[C@@H](C)N)OC Tox21_112848 -NCGC00016765-09 196722779 tox21-ror-cho-viability-p1 set3 4 0.3349145963 -11.9931396679 6 -5.9931396679 4.9549173134 0.3506564236 0.334474166 2.85727202 21.98341233 -4.25903738 1.7486364 13.86006364 -2.39992429 0.2494737 12.006149 -1.76328753 -12.07761639 -10.43406942 -6.58881914 5.12828108 -5.43951634 1.74869275 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 22494-42-4 3059 170464956 A Diflunisal OC(=O)c1cc(ccc1O)c2ccc(F)cc2F Tox21_110598_1 -NCGC00090970-03 196722784 tox21-ror-cho-viability-p1 set3 4 53.080386368 25.7200089921 0.2799910079 26 0.3 0.3691897944 0.3015424725 0.21725169 0.57904 2.04903392 -2.26667416 10.94590705 -0.02554827 4.09996083 -0.51640918 9.65106698 9.17611408 11.81285456 5.87267106 0.50182103 7.10929718 21.063292 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 110-16-7 444266 170465983 Z Maleic acid O=C(O)/C=C\C(=O)O Tox21_113105_1 -NCGC00016354-11 196722790 tox21-ror-cho-viability-p1 set3 4 29.8492948118 -13.2088628239 3 -10.2088628239 2.0437424601 0.4548257248 0.2214314969 0.76478063 3.78190826 1.94122645 1.54201562 3.35355045 1.38277308 -0.71224078 -0.58806873 8.11615655 4.9365839 8.10673164 5.37456247 -1.24526082 0.23377869 -6.84071902 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-26-8 7184 170465688 Ac Butylparaben Oc1ccc(cc1)C(=O)OCCCC Tox21_110393_1 -NCGC00163774-04 196722794 tox21-ror-cho-viability-p1 set3 4 0.200212659 -6.963725052 5 -1.963725052 4.0949729863 0.595190997 0.1155200088 9.07358394 1.74341698 8.68673187 3.09725647 0 6.06133999 3.24375105 -0.8305216 -3.73587001 0.69360429 -1.45815116 -1.71385864 -4.55310421 0.21399026 13.62512122 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00163771-03 196711410 tox21-ror-cho-viability-p1 set2 4 1.9331181962 -8.2351828519 0.5 -7.7351828519 4.9549173134 0.3971119785 0.2747502776 2.1974515 0.9823809 -1.30026793 2.24552381 -1.11980087 0.06275876 -0.64300904 2.54864325 0.6820995 -0.81827057 -16.44598571 2.81318262 0 -14.92905782 -9.65340625 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00357061-01 196711415 tox21-ror-cho-viability-p1 set2 4 -9.98828419 -4.68046851 -6.28789793 -2.48894794 -4.61019748 -14.74954625 -0.88418079 -28.54097632 -60.18502393 -67.75250027 -2.63099354 -15.92674427 -15.82696682 -1.59926015 -0.20462072 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 609-66-5 69111 251919915 A 2-Chlorobenzamide O=C(N)c1ccccc1Cl Tox21_303767 -NCGC00255788-01 196711003 tox21-ror-cho-viability-p1 set2 4 -8.93197172 -1.21392998 -5.67327509 -6.7957159 -2.47744675 0.43044118 -2.16860393 -13.97060798 -3.75477929 -2.80299044 -3.66967947 -1.43655243 -0.47311078 -4.50845438 -13.35415504 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59227-89-3 42981 144212074 A A Laurocapram O=C1CCCCCN1CCCCCCCCCCCC Tox21_301757 -NCGC00255829-01 196711019 tox21-ror-cho-viability-p1 set2 4 0.0015997746 11.3054827599 -10.3054827599 1 4.9549173134 0.8118025197 0.0063875065 -8.5879023 3.15135623 2.33569911 1.90690981 1.52388811 0.232293 0.8644801 1.53507389 1.34812254 -0.14030225 0.65130193 1.37237653 -1.18066552 0.99997762 0.3904004 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 517-23-7 10601 144212346 F F 3-Acetyldihydro-2(3H)-furanone CC(=O)C1CCOC1=O Tox21_302029 -NCGC00260178-01 196711418 tox21-ror-cho-viability-p1 set2 -2.4 62.1889150983 -51.5733829914 -4.890703363 -56.4640863544 3.9294729864 0.911308827 0.1872940416 -0.93746803 -6.69233964 1.20696821 -7.7386687 -9.72643254 -25.65333833 -24.12596495 -8.6615166 0 -23.91653308 -1.60768733 0 0 -14.42162442 -47.70006542 1.197E-9 2.676E-9 5.983E-9 1.338E-8 2.9909999999E-8 6.689E-8 1.496E-7 3.345E-7 7.479E-7 0.0000016719999999 0.0000037389999999 0.000008361 0.000018699999999 0.00004181 0.00009348 404001-52-1 23160059 144209828 A A 1-Dodecyl-3-methylimidazolium trifluoromethanesulfonate FC(F)(F)S([O-])(=O)=O.C[n+]1ccn(CCCCCCCCCCCC)c1 Tox21_202630 -NCGC00357200-01 196711847 tox21-ror-cho-viability-p1 set2 2.4 61.130564862 23.793203704 0.706796296 24.5 3.1319983358 0.8093048014 0.0065456225 -2.12304238 -2.15286223 1.25039154 -1.32425038 6.4413964 -2.74433642 -2.36275919 2.85849389 1.98527329 1.13924243 1.49437736 1.6131971 0.76596279 6.47037779 19.44807646 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1609-47-8 3051 251919875 F Diethyl dicarbonate CCOC(=O)OC(=O)OCC Tox21_303976 -NCGC00260261-01 196712247 tox21-ror-cho-viability-p1 set2 4 -2.45910268 -1.03209747 -7.43886162 -5.1449354 -1.98094636 -3.73956138 -32.58542273 -18.96164145 -1.39881358 0 -10.77275686 0 -4.58033588 -7.64020358 11.61396317 1.2849999999E-9 2.872E-9 6.423E-9 1.436E-8 3.212E-8 7.1809999999E-8 1.606E-7 3.591E-7 8.0289999999E-7 0.0000017949999999 0.000004014 0.000008976 0.00002007 0.00004488 0.0001004 100-11-8 66011 144209911 F A 4-Nitrobenzylbromide O=[N+]([O-])c1ccc(CBr)cc1 Tox21_202713 -NCGC00357155-01 196712253 tox21-ror-cho-viability-p1 set2 -2.2 61.130564862 -60.5785646469 2.3815760565 -58.1969885904 2.6384283767 0.949380683 0.0000090018 -0.5553206 1.01118238 2.80298528 0.71816568 -2.07405912 2.06403592 4.58772586 4.98694099 8.27985115 5.82783164 0.53080873 -1.50908338 -1.45149973 -12.65863881 -44.08862772 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1470-94-6 15118 251919871 Indan-5-ol Oc1ccc2CCCc2c1 Tox21_303902 -NCGC00091468-02 196712257 tox21-ror-cho-viability-p1 set2 4 55.4259289229 18.9121399639 -1.4121399639 17.5 3.9899729863 0.6810035697 0.0473316232 -1.37430561 -6.59344997 -4.96057555 -3.46284812 -3.75819665 2.37750912 -1.43221478 2.34177792 -0.2799565 -0.42980782 1.60332425 2.74257361 -5.65940205 3.30382268 15.2468135 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00357182-01 196712262 tox21-ror-cho-viability-p1 set2 2.4 2.7306020303 22.048173432 -2.048173432 20 0.2 0.7534933384 0.0186184431 -0.87347786 -0.11413138 3.37228269 5.83732283 4.06536968 5.25804365 8.91095517 7.46406156 6.48751886 7.96772886 5.72443705 9.96332192 7.8289023 14.67010958 16.42478094 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5977-14-0 80077 251919747 A 3-Oxobutanamide CC(=O)CC(N)=O Tox21_303947 -NCGC00260265-01 196712263 tox21-ror-cho-viability-p1 set2 4 54.1395967158 28.1945250839 -2.6945250839 25.5 1.8616924601 0.6401438419 0.0700369698 1.24176582 -2.04011868 -2.56874043 0.80493507 -6.02826487 -3.11041647 -0.07409392 -2.81707243 0.40353129 -17.24543757 1.10995675 -0.00987971 1.63094326 7.39316216 19.41660897 1.2919999999E-9 2.888E-9 6.458E-9 1.4439999999E-8 3.229E-8 7.221E-8 1.615E-7 3.6099999999E-7 8.073E-7 0.0000018049999999 0.0000040359999999 0.000009026 0.00002018 0.00004513 0.0001009 110-53-2 8057 144209915 Fns 1-Bromopentane BrCCCCC Tox21_202717 -NCGC00260183-01 196712267 tox21-ror-cho-viability-p1 set2 4 -6.41035927 -3.44040913 -18.30444809 -4.70771975 -5.40697363 -1.0744925 -19.67413998 -17.64584129 -13.00014475 -14.36903657 -42.20492617 -22.16052348 0 -0.77681165 -3.71519519 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.0000016719999999 0.0000037379999999 0.000008358 0.00001869 0.00004179 0.00009344 65039-08-9 2734235 144209833 A 1-Ethyl-3-methylmidazolium bromide [Br-].C[n+]1ccn(CC)c1 Tox21_202635 -NCGC00260324-01 196712268 tox21-ror-cho-viability-p1 set2 4 -6.72789193 -29.04527237 -13.38063307 -6.50830864 -6.70107673 -0.65109054 -8.27155425 -0.62949582 -4.59992493 -22.71451641 -15.06814542 -12.75108909 -13.32505274 -5.75502502 -8.08341109 5.816E-11 1.301E-10 2.908E-10 6.503E-10 1.454E-9 3.2509999999E-9 7.27E-9 1.6259999999E-8 3.635E-8 8.128E-8 1.8179999999E-7 4.064E-7 9.088E-7 0.0000020319999999 0.0000045439999999 7783-18-8 6096946 144209975 Ac Ammonium thiosulfate [NH4+].[NH4+].[O-]S([S-])(=O)=O Tox21_202777 -NCGC00090760-08 196712211 tox21-ror-cho-viability-p1 set2 4 68.1713220381 -19.862645252 1.5 -18.362645252 4.9549173134 0.9388461136 0.0000255271 1.67996179 1.50594983 -0.23858535 2.3984651 -0.35277048 2.13136413 2.74750229 0.53596318 -0.48190029 2.05514485 1.07497625 1.63786287 1.28301323 1.01266394 -14.88553771 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00091414-07 196712611 tox21-ror-cho-viability-p1 set2 4 2.25384235 1.44811567 0.34030138 1.58281458 1.34655759 0.02318273 -0.14797852 1.52482978 0.49703298 -1.89514213 -3.03938205 -2.39262471 1.42095119 -0.80156534 -3.41419433 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 65-45-2 5147 170465496 A Salicylamide O=C(N)c1ccccc1O Tox21_111129_1 -NCGC00163803-06 196712629 tox21-ror-cho-viability-p1 set2 4 2.88442195 4.06953098 0.26370707 0.26150511 -0.95569811 2.90156534 -0.39474119 -2.07860299 -1.04938006 -0.87373753 4.12025261 -0.051627 0.43463076 2.89212468 3.4970565 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66215-27-8 47866 170466498 Z Cyromazine Nc2nc(N)nc(NC1CC1)n2 Tox21_112074_1 -NCGC00165883-04 196713030 tox21-ror-cho-viability-p1 set2 4 -0.13075955 -1.68115698 0.47241619 0.949049 0.68781343 -1.77697932 0.15196337 1.95332277 0.05771646 1.31110428 0.5010442 0.17760101 2.83050062 0.35986615 3.10319518 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 106308-44-5 129228 170465202 A Rufinamide NC(=O)c2cn(Cc1c(F)cccc1F)nn2 Tox21_112267_1 -NCGC00015234-19 196713039 tox21-ror-cho-viability-p1 set2 4 3.17968559 2.29436799 1.73356628 0.34015143 -0.94275015 2.39604239 -0.4809653 1.48235968 -0.50122771 0.63569071 1.62249995 0.34850481 3.555886 -1.52368159 2.95139601 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 298-46-4 2554 170464712 A Carbamazepine NC(=O)N2c3ccccc3C=Cc1ccccc12 Tox21_110104_1 -NCGC00092314-04 196713043 tox21-ror-cho-viability-p1 set2 -1.1 0.2984929481 -83.7237368472 -0.351818264 -84.0755551112 1.8616924601 0.9955122931 0 1.4834465 1.42566786 0.99864517 -0.74074248 -5.69077804 -1.88464875 -7.46148949 -17.86662576 -52.32214577 -72.39884349 -76.33235287 -85.50877474 -86.26557429 -87.03473614 -82.67961372 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35943-35-2 65399 170466256 A Triciribine CN4N=C(N)c2cn([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c3ncnc4c23 Tox21_111192_1 -NCGC00091632-02 196713046 tox21-ror-cho-viability-p1 set2 4 6.04233644 5.22581475 1.77004827 3.49064028 2.05578779 3.14662488 4.82612203 0.5569524 1.18213053 1.95612393 0.66411975 0.53169554 0.48893788 1.42686026 4.99093653 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00090766-07 196713048 tox21-ror-cho-viability-p1 set2 4 -3.85512676 -8.11569068 -4.11600524 -4.52774146 -1.13908607 -4.35845004 -1.61067779 -0.79784672 -2.82432231 -2.47899336 0.48062222 -0.59530558 -0.27520827 -1.17167239 -4.42469242 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53-03-2 5865 170464847 A Prednisone OCC(=O)[C@@]3(O)CC[C@H]2[C@@H]4CCC1=CC(=O)C=C[C@]1(C)[C@H]4C(=O)C[C@@]23C Tox21_111014_1 -NCGC00183019-01 196713448 tox21-ror-cho-viability-p1 set2 4 1.8833631789 12.751398468 -5.751398468 7 0.4 0.8576931405 0.0018065141 -8.12616539 -4.07495763 -3.85111406 -3.26481435 -3.23122323 -4.3257375 -3.71549846 -3.62579785 -1.77483303 0.23515923 2.05240921 1.73360719 2.21378443 1.34002013 6.15645981 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97683-31-3 23663963 144206815 F A Egualen sodium [Na+].CC(C)c1cccc2c(cc(c2c1)S([O-])(=O)=O)CC Tox21_113264 -NCGC00185747-02 196713855 tox21-ror-cho-viability-p1 set2 4 0.6682424727 -4.997734984 -1 -5.997734984 4.9549173134 0.5995004358 0.0987391587 1.04728227 -1.32668205 -2.81780832 -2.15766369 2.01394625 -3.89523378 2.17820303 -2.43935845 -0.6067684 -5.07950877 -7.65641943 -4.76217517 -9.58144582 -4.16795746 -4.40962965 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5868-05-3 4476 170465789 A Niceritrol O=C(OCC(COC(=O)c1cccnc1)(COC(=O)c2cccnc2)COC(=O)c3cccnc3)c4cccnc4 Tox21_113126_1 -NCGC00255740-01 196710986 tox21-ror-cho-viability-p1 set2 4 -7.44185794 -0.52145991 -0.00030303 -0.89428519 -2.0934475 -0.25496013 -1.78553739 -1.09954343 -0.45820248 0.45099724 1.188851 -1.78161256 -0.55488078 -1.72421674 0.71442733 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2941-55-1 18055 144211674 A F Ethiolate CCN(CC)C(=O)SCC Tox21_301357 -NCGC00256018-01 196710975 tox21-ror-cho-viability-p1 set2 4 0.0306378587 10.577745772 -8.577745772 2 0.5 0.5933127663 0.1027394733 -5.00698071 -7.98145481 -6.95471056 -3.01773396 -4.23183162 -0.3129929 -0.46472579 -2.20895757 0.27319821 -0.18561598 0.55370803 0.5541644 5.29476664 -4.51560362 5.49338921 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-19-8 8878 144212096 A Ac Prop-2-en-1-yl heptanoate O=C(CCCCCC)OCC=C Tox21_301779 -NCGC00257730-01 196729694 tox21-ror-cho-viability-p1 set3 4 -1.05055949 0.01218189 1.42842571 0.58275012 1.68649891 2.47796999 0.86491476 1.20013635 1.6344018 4.33230141 0.22519946 1.3808075 -2.72889849 -1.2828369 -3.19884483 1.475E-9 3.299E-9 7.377E-9 1.649E-8 3.688E-8 8.247E-8 1.844E-7 4.1239999999E-7 9.221E-7 0.000002062 0.00000461 0.00001031 0.00002305 0.00005154 0.0001153 68609-96-1 99953 144207374 A F Alkyl (C8,C10) glycidyl ether CCCCCCCCCOCC1CO1 Tox21_200176 -NCGC00255978-01 196728885 tox21-ror-cho-viability-p1 set3 4 2.17699793 -6.04063763 -3.27938631 0.0215922 11.81052684 2.02096634 -1.76600912 0.1212033 -3.64497945 -8.11517199 -0.50666037 -1.93361645 -7.23339186 -3.75690249 9.46229063 1.252E-9 2.8E-9 6.261E-9 1.4E-8 3.1309999999E-8 7E-8 1.565E-7 3.5E-7 7.8269999999E-7 0.00000175 0.000003913 0.000008751 0.00001957 0.00004375 0.000097829999999 191217-81-9 166589 144212633 A A Pramipexole dihydrochloride monohydrate Cl.Cl.O.CCCN[C@@H]1Cc2sc(N)nc2CC1 Tox21_302316 -NCGC00168342-02 196729285 tox21-ror-cho-viability-p1 set3 4 1.1079242 2.51227972 1.62606508 2.77498434 2.1833508 2.24675714 1.72497287 1.66454795 3.34382771 0.05170128 3.06790629 -0.18677659 1.19722497 -0.16162031 -0.93148738 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00247718-01 196723621 tox21-ror-cho-viability-p1 set3 4 -1.79736597 3.96441518 15.90616253 -0.18936827 1.10637899 2.37921441 4.77852835 2.10732855 0.88621119 4.03991477 4.42757174 1.19059512 10.60912519 9.55635304 12.92353072 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 1934-71-0 200391 144206434 A A 1-Phenylcyclohexylamine hydrochloride Cl.NC1(CCCCC1)c2ccccc2 Tox21_112881 -NCGC00159518-05 196723200 tox21-ror-cho-viability-p1 set3 4 0.3757803576 -9.901149272 2.5 -7.401149272 3.5117481694 0.6954362472 0.0402981068 2.51523195 9.50679998 2.23972803 -1.51850917 2.91245766 -3.41614419 5.19914391 2.31404742 -1.75466828 -9.54875673 -10.33429106 -6.92087859 -8.60720179 -5.76912049 -3.32282791 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 117976-90-6 14720269 170464736 Bc Rabeprazole [Na+].Cc3c(OCCCOC)ccnc3CS(=O)c1[n-]c2ccccc2n1 Tox21_111736_1 -NCGC00025212-08 196723210 tox21-ror-cho-viability-p1 set3 -1.1 3.3491459627 -59.6414602473 -0.205998828 -59.8474590753 4.9549173134 0.9823324434 2.31E-8 3.25413022 -2.14141068 0.22322159 -0.08674525 -3.51018735 -3.884238 0 0 3.48404801 0.42575766 -4.29943166 -45.87665914 -63.57594027 -63.06243791 -51.03907026 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56-25-7 6708701 170465704 F Cantharidin O=C2OC(=O)[C@]3(C)C1CCC(O1)[C@]23C Tox21_110326_1 -NCGC00163927-04 196723617 tox21-ror-cho-viability-p1 set3 4 70.1970324498 16.9858128359 -6.9858128359 10 4.9549173134 0.699556463 0.0386656387 -5.74475174 -10.48342879 -4.47003896 -5.05163873 -7.00642232 -12.90484403 -5.68485864 -6.5289464 -3.6982679 -7.8350498 -6.33747671 -6.67592149 -8.35709627 -7.37141136 6.95197316 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00357065-01 196724024 tox21-ror-cho-viability-p1 set3 4 0.0015355304 12.9131448719 -9.9131448719 3 4.9549173134 0.5311045797 0.152546259 -8.26095406 6.50997988 3.73425509 6.7450788 0.65097452 0.99854345 1.10411484 1.86595368 -2.50902099 4.44559952 3.27124868 7.10517653 2.73536379 2.34454507 3.88613208 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 619-73-8 69275 251919924 A 4-Nitrobenzyl alcohol O=[N+]([O-])c1ccc(CO)cc1 Tox21_303773 -NCGC00260263-01 196724026 tox21-ror-cho-viability-p1 set3 4 0.0285235917 -14.50361967 -7.52640241 2.83535194 -0.31409391 2.14258369 2.68016496 6.31825139 0.87805296 8.03350585 2.35365266 10.99823079 1.19028206 6.76440726 -0.05238189 -19.87924234 1.286E-9 2.8749999999E-9 6.428E-9 1.437E-8 3.214E-8 7.187E-8 1.607E-7 3.593E-7 8.0349999999E-7 0.000001797 0.0000040179999999 0.000008983 0.00002009 0.00004492 0.0001004 101-85-9 6076971 144209913 A A alpha-Amylcinnamyl alcohol CCCCCC(/CO)=C/c1ccccc1 Tox21_202715 -NCGC00260204-01 196724031 tox21-ror-cho-viability-p1 set3 4 -4.54044172 3.08819529 0.12192348 1.9067597 2.74152536 3.30109161 6.42635002 0.21449743 0.41816951 3.47936845 -1.22058439 -0.77859591 -3.4710962 2.8941954 -3.27761099 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.569E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003672 0.0000082119999999 0.000018359999999 0.00004106 0.00009181 244193-48-4 11171853 144209854 A A 1-Methyl-3-propylimidazolium tetrafluoroborate C[n+]1ccn(CCC)c1.F[B-](F)(F)F Tox21_202656 -NCGC00259902-01 196721192 tox21-ror-cho-viability-p1 set3 4 -5.31570639 2.87737583 -0.32609027 8.9486325 -5.36022297 -4.91474611 -6.30183983 -5.82060309 -5.28746717 0.38249504 -5.84734893 -4.65831969 -4.41591624 1.45296396 -0.03899059 1.198E-9 2.68E-9 5.992E-9 1.34E-8 2.996E-8 6.6989999999E-8 1.4979999999E-7 3.35E-7 7.4899999999E-7 0.000001675 0.000003745 0.000008374 0.00001873 0.00004187 0.00009363 509-14-8 10509 144209551 Tetranitromethane O=[N+]([O-])C([N+]([O-])=O)([N+](=O)[O-])[N+]([O-])=O Tox21_202353 -NCGC00091468-02 196720784 tox21-ror-cho-viability-p1 set3 4 0.156211492 11.5190305559 -4.0190305559 7.5 1.0999999999 0.6965480482 0.0397842699 -2.91781986 -3.50210341 -2.17916552 -7.09919213 -3.19940126 0.13616681 3.49759045 4.34054582 2.84364178 2.27754339 15.07171539 8.27210719 10.27444744 3.1134863 5.30395642 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00163735-04 196721178 tox21-ror-cho-viability-p1 set3 4 -6.20742845 -6.71331687 -5.24948195 0.85376716 -1.89217964 -5.77172028 -2.22822821 -5.67567102 -7.84922922 -4.77584739 -5.50595633 -5.1301901 -5.67140131 -5.39787195 -8.18743376 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00258963-01 196721181 tox21-ror-cho-viability-p1 set3 4 27.2782538257 10.8030814319 -4.8030814319 6 4.9549173134 0.4399034174 0.2525520571 -6.58340627 -0.29833403 -12.75256786 -2.50270541 -4.37957705 -2.96879676 -5.34920609 -7.01646283 -5.58212496 -2.58327062 -5.99082971 -3.17400171 -3.89557805 4.71694516 -3.5013088 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 80-54-6 228987 144208610 A A 3-(4-tert-Butylphenyl)-2-methylpropanal CC(C)(C)c1ccc(CC(C)C=O)cc1 Tox21_201412 -NCGC00259796-01 196721193 tox21-ror-cho-viability-p1 set3 4 0.58572971 -2.47698416 -7.73151091 -7.06650794 -1.97024875 0.20660324 1.81534137 -12.57985511 2.29106706 -9.54425522 -17.15716307 -9.96685711 -11.75575819 -3.0666342 -4.25904794 1.1999999999E-9 2.683E-9 5.999E-9 1.3409999999E-8 2.999E-8 6.707E-8 1.5E-7 3.353E-7 7.499E-7 0.000001677 0.000003749 0.000008384 0.00001875 0.00004192 0.00009373 121-39-1 8469 144209445 Z Z Ethyl 3-phenylglycidate CCOC(=O)C2OC2c1ccccc1 Tox21_202247 -NCGC00074024-03 196713498 tox21-ror-cho-viability-p1 set2 2.1 21.1316824289 95.3208225383 0.2480075619 95.5688301002 2.3331733767 0.995561745 0 -0.70893374 0.62771244 -0.18517236 0.02616109 -1.23691499 0.65847343 2.77282402 1.98425278 -0.19463709 -1.02825745 1.94693063 4.46002376 9.71871218 48.82187676 81.44002951 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 106017-08-7 176015 170466527 A Rufloxacin hydrochloride Cl.CN1CCN(CC1)c4c(F)cc2c3N(C=C(C2=O)C(=O)O)CCSc34 Tox21_110990_1 -NCGC00016274-10 196713082 tox21-ror-cho-viability-p1 set2 4 -3.68032366 -9.30577762 -4.1136176 -6.0749087 -5.1107039 -3.1581099 -3.34712837 -2.58133954 -3.32441567 -1.48559261 -0.23561294 -2.98648488 0.18330428 -0.74832505 -2.3734934 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60-80-0 2206 170465510 A Phenazone O=C2C=C(C)N(C)N2c1ccccc1 Tox21_110342_1 -NCGC00185743-02 196713089 tox21-ror-cho-viability-p1 set2 -2.1 18.8336317891 -93.3343115643 1.8574159999 -91.4768955644 2.0478617061 0.9827630707 2.01E-8 3.00873783 -1.32928441 -0.56690122 -2.39675994 8.32098654 2.04138159 1.75707087 0.8934241 8.41304033 1.88837908 -2.67632422 -1.77917325 -15.98517854 -50.29312249 -78.01279967 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 369-77-7 9719 170465550 A Cloflucarban FC(F)(F)c1cc(ccc1Cl)NC(=O)Nc2ccc(Cl)cc2 Tox21_113070_1 -NCGC00183859-01 196713099 tox21-ror-cho-viability-p1 set2 4 -0.55737184 -0.43992421 -0.90711303 -0.21642601 -5.87070124 0.59709011 -0.67752842 0.87652467 0.50809901 0.07585183 -0.95522174 1.45427974 -0.28469692 1.40275507 3.33094115 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4630-95-9 20749 144206846 A A Prifinium bromide [Br-].CC[N+]3(CC)CC/C(=C(\c1ccccc1)c2ccccc2)C3C Tox21_113295 -NCGC00091470-05 196713512 tox21-ror-cho-viability-p1 set2 4 1.55389269 0.67702194 -0.11384483 0.13044506 0.78688805 2.08843817 2.49317586 -0.94776599 0.19625654 0.90800282 -1.18277066 1.97548702 0.98898792 -1.21491233 0.47552008 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97-54-1 7338 170465654 F Isoeugenol Oc1ccc(cc1OC)C=CC Tox21_111138_1 -NCGC00254761-01 196713930 tox21-ror-cho-viability-p1 set2 4 1.14260284 0.39669712 0.33717389 0.38116791 -0.19840096 4.07419612 4.16020722 -0.52628505 1.15942029 1.26458622 1.30346372 2.1671621 4.53244372 2.09535891 3.20777303 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-90-1 6909 144211175 Symclosene ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O Tox21_300858 -NCGC00254123-01 196714327 tox21-ror-cho-viability-p1 set2 4 0.65510852 -2.12270877 3.56169967 4.11950779 3.91604343 0.39927892 0.31874106 0.40403508 1.15824078 0.84431055 0.13576167 1.29328833 3.90434823 -0.41193387 4.43378084 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-23-1 7289 144210604 AC A 1,3-Dichloro-2-propanol ClCC(O)CCl Tox21_300284 -NCGC00259784-01 196712269 tox21-ror-cho-viability-p1 set2 4 5.00170067 3.87999363 -2.44290766 1.35932025 -1.1992035 2.57706151 1.19905215 0.23506498 4.58991682 4.98097266 0.42805478 -0.91075775 4.00118734 1.00770446 5.13755183 1.171E-9 2.6189999999E-9 5.856E-9 1.3089999999E-8 2.9279999999E-8 6.547E-8 1.464E-7 3.274E-7 7.3199999999E-7 0.000001637 0.00000366 0.0000081839999999 0.0000183 0.00004092 0.0000915 126-07-8 441140 144209433 A A Griseofulvin O=C2c3c(O[C@]12C(=CC(=O)C[C@H]1C)OC)c(Cl)c(OC)cc3OC Tox21_202235 -NCGC00260174-01 196711867 tox21-ror-cho-viability-p1 set2 -3 15.824953567 -62.8219910924 -0.172872712 -62.9948638044 3.0654483358 0.8590796635 0.0042320816 -0.74070947 1.35780081 0.23874205 4.00534545 -0.19623106 1.02407525 1.95240156 -3.48066396 0.30615656 -1.3874085 -11.8443909 1.59518461 -47.72338167 -11.92933691 4.41715484 1.21E-9 2.706E-9 6.051E-9 1.353E-8 3.0249999999E-8 6.765E-8 1.5129999999E-7 3.3829999999E-7 7.564E-7 0.000001691 0.000003782 0.0000084559999999 0.00001891 0.00004228 0.00009454 218151-78-1 11459786 144209824 A 1,2-Dimethyl-3-propylimidazolium iodide [I-].Cc1[n+](C)ccn1CCC Tox21_202626 -NCGC00090701-06 196711870 tox21-ror-cho-viability-p1 set2 4 68.5896218971 12.378511448 1.121488552 13.5 3.9899729863 0.7693732225 0.0146902698 -1.14875954 1.58214549 0.06998017 3.62325994 0.65594047 1.37995076 -0.99418372 2.55646998 0.52041402 2.45957319 2.62902698 1.288956 2.23912848 2.19462555 10.79260813 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00258575-01 196711878 tox21-ror-cho-viability-p1 set2 -1.1 27.2504920471 -81.562225575 -5.186381871 -86.748607446 4.9549173134 0.9880420945 2.4E-9 -6.85779281 -5.59757463 -5.049876 -6.0417878 -0.79665966 -4.19203241 -5.28343629 -9.95777496 -4.40250261 -6.16589366 -1.22031402 -4.37004639 -14.20193916 -83.10056245 -81.62428875 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.000003681 0.00000823 0.000018399999999 0.00004115 0.00009201 96-69-5 7308 144208220 A A 4,4'-Thiobis(6-tert-butyl-m-cresol) CC(C)(C)c2cc(Sc1cc(c(O)cc1C)C(C)(C)C)c(C)cc2O Tox21_201022 -NCGC00090986-03 196712271 tox21-ror-cho-viability-p1 set2 4 2.4485085608 -10.319770408 0.5 -9.819770408 0.4 0.3199887234 0.349347327 -0.04192264 -0.02281585 -1.24955446 1.04700024 -0.32153458 -1.10366705 -5.89344064 2.0520095 -9.64651295 0.64154532 -7.23493112 1.11733598 -15.26647534 -6.93698668 -5.81041034 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00255077-01 196714709 tox21-ror-cho-viability-p1 set2 4 61.130564862 -13.973340524 -1 -14.973340524 3.9294729863 0.8994665185 0.0003417881 0.79439792 -1.80271062 -1.33502052 -1.06383362 -1.52800401 0.19154181 1.01363904 -1.63189501 -2.03228252 -1.2574507 -1.06335377 -2.3634118 -0.08393917 -3.69741995 -12.47778377 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67747-09-5 73665 144211496 A A Prochloraz O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2 Tox21_301179 -NCGC00091086-02 196714296 tox21-ror-cho-viability-p1 set2 4 -1.3007779 -4.11107377 1.29034467 -4.16446798 -5.49895208 -7.29976314 -8.5920037 -2.60664157 -5.87027467 -3.48507213 -7.39056076 -7.55050658 -1.3409909 1.22384718 0.25799454 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00254182-01 196715118 tox21-ror-cho-viability-p1 set2 4 -2.76964618 -0.28111955 0.09703832 -0.78240732 -0.21346509 1.89423657 1.07540831 0.16035764 1.19692305 -0.3213528 3.71485157 4.7369282 4.53014327 0.24171601 3.90338118 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-08-1 7422 144210327 AC Ac 3-Nitrotoluene Cc1cc(ccc1)[N+](=O)[O-] Tox21_300007 -NCGC00258381-01 196715519 tox21-ror-cho-viability-p1 set2 4 2.75739266 3.01264037 2.13462823 1.600103 3.47855762 4.03053695 2.1649523 3.97616777 1.66697964 2.98209578 3.1960189 3.07761909 0.77377698 0.97822578 -0.03917223 1.196E-9 2.6749999999E-9 5.981E-9 1.337E-8 2.9899999999E-8 6.6869999999E-8 1.4949999999E-7 3.3429999999E-7 7.476E-7 0.0000016719999999 0.0000037379999999 0.0000083589999999 0.00001869 0.00004179 0.00009345 111-48-8 5447 144208025 A A 2,2'-Thiobisethanol OCCSCCO Tox21_200827 -NCGC00258509-01 196715523 tox21-ror-cho-viability-p1 set2 4 2.27845717 0.26214163 -1.17549742 -3.42741068 -3.96137977 1.54491185 -0.77340823 1.68033699 -1.12991247 -1.07310811 1.20376958 1.40564709 -2.12353901 -4.46821183 -3.12957558 1.158E-9 2.5899999999E-9 5.7909999999E-9 1.2949999999E-8 2.8949999999E-8 6.474E-8 1.448E-7 3.2369999999E-7 7.239E-7 0.0000016189999999 0.000003619 0.000008093 0.0000181 0.00004047 0.00009048 88-21-1 6926 144208154 A A Orthanilic acid Nc1ccccc1S(O)(=O)=O Tox21_200956 -NCGC00356941-01 196712233 tox21-ror-cho-viability-p1 set2 4 76.9588215421 14.2739714319 -5.2739714319 9 4.9549173134 0.3710827564 0.6081873285 -3.00679527 -11.06164286 -7.63865025 -4.56836845 -1.29731448 -3.8856194 -58.20171551 -9.60931018 0 -1.11661602 -7.07221922 0 -8.73205326 -10.85147103 6.74948094 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-15-9 31245 251919655 F 2-Methylpentanal CC(CCC)C=O Tox21_303754 -NCGC00260612-01 196712217 tox21-ror-cho-viability-p1 set2 -2.4 33.4914596268 -25.3298883919 1 -24.3298883919 4.9549173134 0.8447821373 0.0026455633 0.23087416 -1.80889138 -1.18026262 -0.05490938 2.61949311 1.10065802 -2.11412331 0.68529501 2.22517174 4.07082432 2.20362976 -2.0501696 -0.42625407 4.35703933 -21.94157366 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49508 144210265 M M NTP Mix15 AR1 8-EQC Tox21_203067 -NCGC00090773-04 196712222 tox21-ror-cho-viability-p1 set2 4 69.7771103933 13.683125992 1.316874008 15 0.4 0.4943504845 0.1857949304 -0.56927166 2.92267642 1.17298939 5.48670489 -0.46422197 1.58560947 5.6973139 4.78164213 5.11032556 2.15925653 2.47051684 3.000629 4.0267452 10.86223648 9.82497624 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00357115-01 196712228 tox21-ror-cho-viability-p1 set2 4 54.4826732819 16.47662494 -2.97662494 13.5 4.9549173134 0.4441722764 0.2300249879 1.44504011 -0.36518191 0.46524507 -1.86618387 -0.80565532 2.04449601 -5.26764208 -11.64718745 0.66531224 -0.95122166 -10.18059039 -0.69272129 -9.8206959 0.75351249 12.27209536 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 821-55-6 13187 251919663 Ac 2-Nonanone CCCCCCCC(C)=O Tox21_303845 -NCGC00260139-01 196712235 tox21-ror-cho-viability-p1 set2 -2.4 29.8832039537 -33.282020784 2 -31.282020784 0.6 0.9017553712 0.0002959175 0.99939335 2.22435414 0.90354037 5.08431742 0.43157051 1.08415456 0.97356763 1.46386342 0.23449805 -4.60885281 -10.36389798 -7.27995658 -9.54092929 -12.29973125 -22.73501732 1.0499999999E-9 2.347E-9 5.2489999999E-9 1.174E-8 2.624E-8 5.868E-8 1.312E-7 2.9339999999E-7 6.561E-7 0.000001467 0.0000032799999999 0.0000073349999999 0.0000164 0.00003668 0.00008201 50-44-2 667490 144209789 A A 6-Mercaptopurine S=C2NC=Nc1ncnc12 Tox21_202591 -NCGC00357132-01 196712236 tox21-ror-cho-viability-p1 set2 4 0.1157736504 -6.8314652839 -0.5 -7.3314652839 4.4494702849 0.3142823932 0.3691157848 -0.44595512 1.28693872 0.20534906 -0.32303678 0.54740104 -6.27263305 0.48349745 -1.72756664 -6.25102365 -12.51311035 -10.9902686 -0.94356659 -16.52622107 3.49877424 16.30815298 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 65983-31-5 20607916 251919807 A 2-(3a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoinden-8-yloxy)ethyl prop-2-enoate C=CC(=O)OCCOC3C1CCC3C2CC=CC12 Tox21_303870 -NCGC00092366-03 196712634 tox21-ror-cho-viability-p1 set2 4 -3.97552947 -4.68764454 -4.61202832 -2.47294709 -5.71700163 -4.36471445 -1.74381451 0.32646905 -2.94457401 -2.72064265 -0.73222773 0.02869297 0.0333718 -1.7455268 0.25048555 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 150375-75-0 60196272 170466643 A Relcovaptan NC(=O)[C@H]1CCCN1C(=O)[C@H]3N(c2ccc(Cl)cc2[C@@]3(O)c4ccccc4Cl)S(=O)(=O)c5cc(OC)c(OC)cc5 Tox21_111198_1 -NCGC00022735-06 196712638 tox21-ror-cho-viability-p1 set2 4 -0.61540453 -2.69729859 -4.80618147 -0.57506889 -0.24777686 -0.27707687 3.73946306 0.52766421 0.82286688 0.8700468 0.79398977 0.42184 1.03420957 -0.24506843 5.13891443 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83-43-2 6741 170465051 A Methylprednisolone OCC(=O)[C@@]4(O)CC[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3C[C@H](C)C1=CC(=O)C=C[C@@]12C Tox21_110376_1 -NCGC00181909-01 196725068 tox21-ror-cho-viability-p1 set3 4 33.4914596268 14.355096096 0.644903904 15 4.9549173134 0.7899857696 0.0099376123 -0.78546359 2.62504511 -0.27918006 -1.96258008 2.27964218 2.74262299 1.51029085 1.42488289 1.27974256 -1.8407161 1.05358573 -1.60588338 -0.05472638 0.34699472 12.69766423 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 41653-21-8 3300 144206885 A A Sulcaine O=C(CN1CCCCC1)Nc2ccc(cc2)C(=O)OCC Tox21_113334 -NCGC00091326-06 196725896 tox21-ror-cho-viability-p1 set3 4 0.0009439176 9.1422789159 -8.1422789159 1 3.9899729863 0.4154332728 0.2604990623 -6.78523243 -0.89341367 1.70235487 0.34316321 -4.32456231 1.42497952 3.60032276 3.5568762 -2.70354073 0.31639434 2.83838775 -2.30214591 2.97838558 0.63776178 1.73653584 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103-84-4 904 170465493 A Acetanilide O=C(C)Nc1ccccc1 Tox21_111113_1 -NCGC00024894-08 196726306 tox21-ror-cho-viability-p1 set3 4 -5.29400403 0 -5.31629378 1.39407644 -5.18569615 -5.81837083 2.25309655 -0.90968197 -7.26373263 -3.8166334 -1.6468813 1.34924965 -1.63038018 1.91019061 1.86282099 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 37762-06-4 5722 170466446 A Zaprinast CCCOc3ccccc3C2=Nc1nnnc1C(=O)N2 Tox21_110306_1 -NCGC00093351-06 196722386 tox21-ror-cho-viability-p1 set3 3 29.8492948118 34.160420488 1.790268124 35.950688612 4.4494702849 0.6855781174 0.044789276 3.09769002 1.45266137 -14.35768958 2.37058169 3.16646762 -1.95105533 -1.23540174 0.3253495 7.41637059 8.90238813 4.39984456 5.44834964 1.73407672 7.48245571 31.7202929 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35607-66-0 441199 170465105 F Cefoxitin O=C(O)C=2N3C(=O)[C@](NC(=O)Cc1cccs1)(OC)[C@H]3SCC=2COC(N)=O Tox21_113009_1 -NCGC00254017-01 196698717 tox21-ror-cho-viability-p1 set1 4 0.18004219 0.70536225 0.48066672 2.44974027 2.22706837 0.0921819 1.73000024 -1.18252372 2.02192921 1.56100226 -0.69362488 0.67855666 -0.76188057 0.82102052 -0.99353529 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 58-93-5 3639 144210612 A A Hydrochlorothiazide NS(=O)(=O)c2cc1c(NCNS1(=O)=O)cc2Cl Tox21_300292 -NCGC00254927-01 196699117 tox21-ror-cho-viability-p1 set1 4 27.3060203028 -9.315803836 1.5 -7.815803836 4.9549173134 0.5830614427 0.1265131425 2.28997938 2.48055032 1.49132083 2.42748509 0.3010108 -2.24522541 5.64242687 2.84083407 2.64881184 -1.17182042 0.05327455 1.06273895 0.32113667 -6.92983653 0.1864316 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 12771-68-5 25572 144211342 A A Ancymidol OC(C1CC1)(c2cncnc2)c3ccc(OC)cc3 Tox21_301025 -NCGC00166217-02 196722389 tox21-ror-cho-viability-p1 set3 4 0.2984929481 -17.1082568319 10.5 -6.6082568319 4.9549173134 0.5681701799 0.135764219 16.49685365 9.51919416 18.96143094 15.15482224 3.37856416 -9.142205 15.34469109 14.35496937 -2.88171257 -3.08549478 -7.64150488 -4.55043162 -13.42354736 -2.86628562 15.08559968 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 423-55-2 9873 170465144 F 1-Bromoheptadecafluorooctane FC(F)(C(F)(F)C(Br)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_112353_1 -NCGC00015643-11 196722387 tox21-ror-cho-viability-p1 set3 4 1.8833631789 11.429426108 1.070573892 12.5 0.7999999999 0.5821826422 0.1104641637 4.65715133 -0.34779065 1.25986724 4.74226612 2.56623432 0.61357869 -6.60785509 0 8.35797502 6.20600572 6.87522372 9.16426434 7.21794024 8.73105218 14.72538609 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 364-62-5 4168 170464848 A Metoclopramide Nc1cc(OC)c(cc1Cl)C(=O)NCCN(CC)CC Tox21_110188_1 -NCGC00163179-03 196722388 tox21-ror-cho-viability-p1 set3 4 2.6603212004 -7.0655738799 0 -7.0655738799 1.92824246 0.4095346982 0.2810768565 -2.44926411 -3.12778316 1.33965257 -1.11527036 -0.32400444 0.59956142 8.38912944 -0.64868276 0.26135405 -4.16384196 -0.6874396 -4.49139367 -10.0546449 -3.90459 9.84293645 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 96744-75-1 105104 170466866 A U-69593 O=C(Cc1ccccc1)N(C)[C@H]2CC[C@]4(C[C@@H]2N3CCCC3)CCCO4 Tox21_112026_1 -NCGC00263541-01 196722401 tox21-ror-cho-viability-p1 set3 4 1.333319023 6.7439628361 1.2560371639 8 2.9522712143 0.664769824 0.0673925937 6.41088081 3.02249016 0.65968981 0.57014277 0.02619961 2.61890532 0.31237382 -1.86996903 -1.73028857 3.73452413 5.70397035 6.87807247 9.53915694 7.99720888 2.13340349 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98769-84-7 127150 170465620 A Reboxetine mesylate CS(=O)(=O)O.CCOc3ccccc3O[C@H](c1ccccc1)[C@H]2CNCCO2 Tox21_110964_1 -NCGC00244579-01 196722797 tox21-ror-cho-viability-p1 set3 -2.4 68.5896218971 -32.467342388 -2 -34.467342388 2.8472712143 0.8651897734 0.0013800185 -4.76346045 -0.76954444 -3.96580444 2.52749295 -4.55857245 1.9723559 0.5410581 -4.82136394 -2.15567445 -2.43384739 -3.7323102 -2.54872026 -4.98886566 -7.51820876 -25.38945199 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00018121-07 196722805 tox21-ror-cho-viability-p1 set3 4 0.17284186 0.12479634 1.6150885 -8.37722317 0.32436186 -3.9089125 -8.00633457 -0.94273673 0.82926459 -1.26774568 -3.52693526 -5.11203055 -6.18727371 -4.76167552 6.30911738 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 603-00-9 4977 170465953 A Proxyphylline CC(O)Cn2cnc1c2C(=O)N(C)C(=O)N1C Tox21_110471_1 -NCGC00092300-02 196722821 tox21-ror-cho-viability-p1 set3 4 0.2984929481 17.0450392959 -7.0450392959 10 0.7 0.5607269224 0.1266010473 -2.75000706 1.62332641 -18.37086608 -15.34101569 0 0 -1.23392387 -2.82376823 -0.31543516 8.12054678 7.86016714 6.54758019 5.26469066 4.49152383 16.08864264 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 128312-51-6 6436135 170466361 A Cinalukast O=C(O)C(CC)(CC)CC(=O)Nc3cc(/C=C/c1nc(cs1)C2CCC2)ccc3 Tox21_111191_1 -NCGC00253617-01 196723219 tox21-ror-cho-viability-p1 set3 4 0.2371013766 -7.332555228 1.5 -5.832555228 4.9549173134 0.4865852742 0.207867254 0.91258106 1.33217901 4.6482565 1.81086227 0.39846546 -0.1425995 3.19013597 0.33590888 -4.64734492 -11.36049042 -13.61046269 -3.84896698 -0.82921951 1.06591082 6.39642895 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5006-66-6 72924 170466773 Ac Ac 6-Hydroxynicotinic acid OC(=O)c1cnc(O)cc1 Tox21_113747 -NCGC00253769-01 196723223 tox21-ror-cho-viability-p1 set3 2.2 23.7101376556 61.0403871654 -2.364923758 58.6754634074 1.752947691 0.8540560116 0.0019833185 -0.18143799 0.19657179 4.37121197 -1.78889059 -2.51341489 0.59733954 -0.08551743 -1.06996369 -3.44035882 -5.82235744 -16.093095 -1.13982675 16.27337988 18.15360727 46.14085621 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4945-47-5 72075 170466303 A Fc Bamipine CN1CCC(CC1)N(Cc2ccccc2)c3ccccc3 Tox21_113882 -NCGC00023654-13 196713526 tox21-ror-cho-viability-p1 set2 4 -0.18635259 -0.66787129 0.33473545 0.18839488 -1.27439902 3.45377871 0.53749058 0.0871816 -3.09421736 -1.49838192 -1.62083068 0.10437087 -5.10686064 -5.21441297 -2.25682996 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62571-86-2 44093 170464644 F Captopril OC(=O)[C@@H]1CCCN1C(=O)[C@H](C)CS Tox21_110890_1 -NCGC00258746-01 196715999 tox21-ror-cho-viability-p1 set2 4 -0.70368218 0.27183331 -0.25893116 -1.96563976 -0.25578902 -2.30535502 -0.16678486 -0.05644556 0.15431667 -1.05514022 -0.54422951 -2.10733729 -4.09819353 0.4243773 -2.21161219 1.213E-9 2.7119999999E-9 6.0629999999E-9 1.3559999999E-8 3.0319999999E-8 6.779E-8 1.516E-7 3.39E-7 7.579E-7 0.000001695 0.0000037899999999 0.000008474 0.00001895 0.000042369999999 0.000094739999999 306-37-6 9380 144208392 FNS 1,2-Dimethylhydrazine dihydrochloride Cl.Cl.CNNC Tox21_201194 -NCGC00253936-01 196713943 tox21-ror-cho-viability-p1 set2 4 -0.81694617 -5.24725987 0.26602406 -9.42252993 -5.82395615 -0.37687899 -3.57041544 -1.96133205 -6.15925091 -4.23714971 -0.55745621 -5.41114404 1.93287896 -5.44097234 -0.69466929 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1836-75-5 15787 144210596 A A Nitrofen Clc2cc(Cl)ccc2Oc1ccc(cc1)[N+]([O-])=O Tox21_300276 -NCGC00261979-01 196713517 tox21-ror-cho-viability-p1 set2 4 26.6032120037 -27.542094892 0 -27.542094892 1.692447691 0.8821220578 0.0007288199 -4.13036947 1.55740462 2.23851178 -1.59786757 1.53635082 1.71920351 1.91152727 0.36537902 2.24298271 -3.82655138 0.1681366 -2.84033322 -3.19765707 -10.95665106 -19.61841241 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1222-57-7 14652 170466528 A A Zolimidine CS(=O)(=O)c1ccc(cc1)c2cn3ccccc3n2 Tox21_113899 -NCGC00344523-01 196713530 tox21-ror-cho-viability-p1 set2 4 0.69910033 -0.13205982 -3.49823192 2.55066684 -0.96764966 -2.70292368 -1.93372123 -4.78135872 -2.48007962 -5.88630631 -5.82857271 -6.09429381 -3.43743593 -2.05191404 2.58320532 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87-79-6 6904 170465548 Z L-(-)-Sorbose O[C@H](C(=O)CO)[C@H](O)[C@@H](O)CO Tox21_113100_1 -NCGC00091468-02 196714356 tox21-ror-cho-viability-p1 set2 4 -0.877386 -0.9626161 -0.28703631 -1.38464302 4.63143453 1.06483485 -0.02869143 3.80041663 -2.06079383 1.11293075 -1.49206096 0.44940182 2.69902628 0.87353136 -0.95784254 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00254594-01 196714357 tox21-ror-cho-viability-p1 set2 4 23.3065032283 -12.225415916 -3.618871064 -15.84428698 0.3 0.3773728423 0.2962902885 -5.07449218 -5.33837539 -3.5639772 -10.21080425 -2.65096816 -5.03110378 -8.49315254 -1.34905922 -9.54889623 -5.76423394 -4.47746631 -9.05425204 -12.37023915 -11.00982477 -10.67335674 1.3789999999E-9 3.082E-9 6.8929999999E-9 1.541E-8 3.446E-8 7.706E-8 1.723E-7 3.8529999999E-7 8.616E-7 0.000001927 0.0000043079999999 0.0000096329999999 0.000021539999999 0.000048159999999 0.0001077 120-46-7 8433 144211003 Ac Ac 1,3-Diphenyl-1,3-propanedione O=C(CC(=O)c1ccccc1)c2ccccc2 Tox21_300686 -NCGC00254291-01 196714358 tox21-ror-cho-viability-p1 set2 4 -4.74887485 -4.95165814 -0.5233541 -7.6202859 -3.45619817 -6.02670846 -4.89127727 -1.22151423 -3.33120148 -7.00663776 -7.61844182 -7.47540388 -2.52885734 1.32511027 2.16672755 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 230954-09-3 9866250 144210751 A A CP-544439 O=S(=O)(NC1(CCOCC1)C(=O)NO)c3ccc(Oc2ccc(F)cc2)cc3 Tox21_300433 -NCGC00255027-01 196714361 tox21-ror-cho-viability-p1 set2 4 -1.69730953 1.08624335 -0.98445587 0.48181078 -1.46082488 -0.44917436 1.70265005 2.68349753 2.64854709 2.97077444 2.859866 1.6792859 6.76244496 2.96782476 4.82479233 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-14-2 6919 144211445 A Ac 2-Furancarboxylic acid O=C(O)c1ccco1 Tox21_301128 -NCGC00254868-01 196714769 tox21-ror-cho-viability-p1 set2 4 -1.90758516 -5.4327684 1.23917069 1.21590772 -0.36864901 -1.90327488 -2.91096409 -5.75374858 -5.55092246 -1.98158179 -3.37090249 -2.85711905 2.15020028 -1.24413387 -7.00653341 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96182-53-5 93516 144211282 A A Tebupirimfos CC(C)(C)c1ncc(OP(=S)(OCC)OC(C)C)cn1 Tox21_300965 -NCGC00255075-01 196714772 tox21-ror-cho-viability-p1 set2 -1.1 7.6958821542 -80.4003952964 -1.87370615 -82.2741014464 2.1210667061 0.9906219931 6E-10 1.53881942 -1.83541986 -1.30479657 -2.52775107 0.30400344 -1.03870988 1.04288576 -1.63968176 -5.19552186 -10.18092421 -17.04195821 -41.74383348 -77.79396745 -76.03409799 -82.19824208 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79622-59-6 91731 144211494 A A Fluazinam [O-][N+](=O)c2cc(c(Cl)c(c2Nc1ncc(cc1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F Tox21_301177 -NCGC00254268-01 196714774 tox21-ror-cho-viability-p1 set2 4 0.0685896219 -8.068785976 -1.247262768 -9.316048744 4.9549173134 0.4644679218 0.2281593438 -1.44568559 -1.03938564 -1.71733064 -1.34609829 -2.12664048 -4.16020223 -12.20050788 -16.93004062 -16.19800514 -3.68360492 -9.49733228 -7.84207024 -6.47804975 -1.58277117 0.26222196 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1303-11-3 91500 144210846 Indium arsenide [As]#[In] Tox21_300528 -NCGC00255003-01 196714777 tox21-ror-cho-viability-p1 set2 4 1.0266374 0.39246652 -0.32981895 0.78159087 0.10962027 0.66540489 1.212237 -0.49319458 0.7294185 -0.34483124 0.95013223 1.98972118 6.29939807 1.32360575 0.10631837 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1634-78-2 15415 144211420 Ac Fc Malaoxon COP(=O)(OC)SC(CC(=O)OCC)C(=O)OCC Tox21_301103 -NCGC00095209-06 196713052 tox21-ror-cho-viability-p1 set2 4 8.4126743008 -25.46480952 5 -20.46480952 0.3 0.8243641176 0.0045931808 2.9614005 8.52298795 2.85764864 -0.28074793 0.43493699 -1.50707463 -0.35505776 -1.55359372 0.99219769 -2.73856889 -5.26903105 -5.57223671 -10.10459942 -6.5284796 -13.7206746 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 482-44-0 10212 170466682 A Imperatorin C/C(C)=C\COc1c3occc3cc2C=CC(=O)Oc12 Tox21_113179_1 -NCGC00179342-03 196713054 tox21-ror-cho-viability-p1 set2 4 -1.62350136 1.34762337 1.35421974 2.58304609 -0.5064423 0.12631798 0.09137801 -1.08539183 0.86239215 0.73804617 -1.62737758 2.86184285 1.47936509 0.67611674 -0.6928782 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6452-73-9 71172 170464995 A Oxprenolol hydrochloride Cl.CC(C)NCC(O)COc1ccccc1OCC=C Tox21_110556_1 -NCGC00274272-01 196713060 tox21-ror-cho-viability-p1 set2 4 1.71574859 -0.33980954 -1.74991024 -3.64970825 1.44420644 -1.45542845 -4.05261876 2.28237108 -0.91634149 -1.06356013 -3.32014599 -5.9390812 0.89176895 -4.70581761 -0.93194089 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3115-05-7 18377 170465948 I F Iobenzamic acid Ic1cc(I)c(N)c(I)c1C(=O)N(CCC(=O)O)c2ccccc2 Tox21_113974 -NCGC00016627-04 196713061 tox21-ror-cho-viability-p1 set2 -2.1 29.8492948118 -79.8477581902 0.288496705 -79.5592614852 2.6384283767 0.9732947695 2.503E-7 1.66947559 3.97276193 1.62960694 -0.00399766 0.5028595 1.21519794 1.92342079 0.05617437 2.19003875 0.29996699 0.91553467 -5.73935417 -9.36849822 -19.30388134 -63.14227102 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3416-26-0 3926 170466621 A Lidoflazine Cc4cccc(C)c4NC(=O)CN3CCN(CCCC(c1ccc(F)cc1)c2ccc(F)cc2)CC3 Tox21_110533_1 -NCGC00094881-07 196713062 tox21-ror-cho-viability-p1 set2 4 0.68588034 0.80544807 1.20646567 -0.12178901 -1.34478923 -2.05282174 0.36692831 -2.17705661 0.37655022 -3.51806921 0.35787221 -7.95060999 -3.74370071 -3.60511072 -1.82735599 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 65513-72-6 3085326 170465943 I Glafenine hydrochloride Cl.OCC(O)COC(=O)c3ccccc3Nc1ccnc2cc(Cl)ccc12 Tox21_110678_1 -NCGC00262930-01 196713066 tox21-ror-cho-viability-p1 set2 4 1.95361601 3.07891832 2.02682596 3.09634432 -1.22785359 -0.48670022 -1.72799134 -0.79734495 -1.65563831 3.47015366 -1.62128037 3.55719102 2.89444082 -1.49781762 3.75466014 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 38234-21-8 188304 170466642 A A Fertirelin O=C(NCC)[C@@H]6CCCN6C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3cnc2ccccc23)NC(=O)[C@H](Cc4cncn4)NC(=O)[C@@H]5CCC(=O)N5 Tox21_113925 -NCGC00042134-04 196713070 tox21-ror-cho-viability-p1 set2 4 4.21894342 1.90146686 0.76094901 0.29269933 -0.82410809 0.27060496 -3.01868842 -1.75701334 -2.91402458 -1.93270431 -0.80586528 2.53506112 -5.14320975 1.37305546 -2.07240391 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2901-75-9 2000 170466474 A Afalanine O=C(O)C(NC(C)=O)Cc1ccccc1 Tox21_110975_1 -NCGC00183836-01 196713467 tox21-ror-cho-viability-p1 set2 4 0.0047307944 -10.378975312 9 -1.378975312 1.9673362061 0.7795587318 0.0120167902 7.88791952 8.25460062 9.58216681 -1.98464762 2.84097194 -0.22072609 -2.81581276 -0.63778595 -1.70711159 -2.20232926 -1.6589409 -0.47669968 1.50092285 -2.00481938 -1.87759042 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80879-63-6 72004 144206827 A A Emiglitate O=C(OCC)c2ccc(OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)cc2 Tox21_113276 -NCGC00262931-01 196713469 tox21-ror-cho-viability-p1 set2 4 3.3491459627 -5.681831212 -0.5 -6.181831212 2.4063783767 0.6031511218 0.0963663349 -3.44717007 2.95099831 -0.75034715 -0.44427476 -0.34623994 -3.95528337 -0.01452857 2.77403451 0.52918127 0.57226387 -2.83975848 -3.05991103 -7.65152601 -4.9458124 -6.03254145 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 137975-06-5 119369 170466304 A F Mozavaptan Cc1ccccc1C(=O)Nc2ccc(cc2)C(=O)N4CCCC(c3ccccc34)N(C)C Tox21_113926 -NCGC00254352-01 196713885 tox21-ror-cho-viability-p1 set2 4 -5.01450779 -1.13790948 0.6167616 -5.39529796 -6.48041738 -6.85569989 -6.09814363 -3.45506289 -10.51560891 -7.20009601 -2.89009785 -20.51281969 -0.39575877 -0.12195261 1.70729848 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2528-16-7 31736 144210943 A A Monobenzyl phthalate O=C(O)c2ccccc2C(=O)OCc1ccccc1 Tox21_300626 -NCGC00017358-15 196712677 tox21-ror-cho-viability-p1 set2 4 1.333319023 -20.3976636959 -1.505057228 -21.9027209239 0.4 0.9633393763 0.0000015227 -3.85749287 -2.53699364 -2.08754769 -3.3065869 -3.44303095 -6.85936142 -7.1796497 -8.14074436 -7.87943321 -9.87009582 -14.14996327 -13.16354148 -15.79004871 -16.03093626 -19.08560077 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83-79-4 6758 170466816 B Rotenone C=C(C)[C@@H]2Oc3ccc1C(=O)[C@H]4c5cc(OC)c(OC)cc5OC[C@H]4Oc1c3C2 Tox21_110819_1 -NCGC00260023-01 196724728 tox21-ror-cho-viability-p1 set3 4 -5.27014785 0.13608392 -2.55756581 -5.07368029 -0.43732103 -2.67260016 -1.05293926 4.72581178 -0.89897534 -3.17385978 1.60894953 -2.93159748 -1.71165149 -6.61583465 1.62940712 5.931E-10 1.3259999999E-9 2.966E-9 6.6309999999E-9 1.483E-8 3.316E-8 7.414E-8 1.658E-7 3.7069999999E-7 8.2889999999E-7 0.0000018529999999 0.000004144 0.000009267 0.000020719999999 0.00004634 129-15-7 31426 144209672 A Ac 2-Methyl-1-nitroanthraquinone [O-][N+](=O)c3c(C)ccc2C(=O)c1ccccc1C(=O)c23 Tox21_202474 -NCGC00260134-01 196724315 tox21-ror-cho-viability-p1 set3 4 28.057484011 -17.373242472 3.5 -13.873242472 4.9549173134 0.6310710031 0.0887587672 -0.47552483 1.81375169 5.28044467 7.16674771 6.31183721 1.19717931 9.98563516 6.08549596 -0.28196873 2.09147149 -0.05324639 2.00443897 1.92237659 -11.97770206 1.78744416 1.2069999999E-9 2.7E-9 6.037E-9 1.3499999999E-8 3.0179999999E-8 6.7489999999E-8 1.509E-7 3.375E-7 7.546E-7 0.000001687 0.000003773 0.000008436 0.00001886 0.00004218 0.000094319999999 10043-52-4 5284359 144209783 Calcium chloride [Ca+2].[Cl-].[Cl-] Tox21_202585 -NCGC00260598-01 196724721 tox21-ror-cho-viability-p1 set3 4 0.0149600855 10.6245164839 -6.6245164839 4 1.4641 0.7039666066 0.0365498574 -7.18709707 -5.04930555 -6.96600301 -2.71663893 -2.99723955 2.80089602 3.63102947 3.81273222 3.90565791 3.89236181 4.49613919 -4.88606377 7.15163917 6.82612262 5.55884086 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49494 144210251 M M NTP Mix1 AR1 4-EQP Tox21_203053 -NCGC00260554-01 196724726 tox21-ror-cho-viability-p1 set3 4 -2.64234155 7.19821114 -2.50732584 0.43006234 0.70030492 6.75559874 4.11075163 1.72695751 -0.49514707 0.53900241 1.53963222 -4.31743365 0.91590462 3.40794101 6.62890261 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49450 144210207 M M NTP Mix62 CT1 62-EQP Tox21_203009 -NCGC00163919-02 196724742 tox21-ror-cho-viability-p1 set3 4 -2.20771954 -3.82851007 -2.37550517 -2.92299288 -1.86083156 -2.57003027 -0.63612041 -0.49025862 -0.80776064 2.56052731 3.36160879 -0.82969503 -2.5212594 0.42855166 -5.55127223 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00091009-05 196724745 tox21-ror-cho-viability-p1 set3 -2.4 61.6063861515 -31.6764624319 2 -29.6764624319 4.5044702849 0.7310583956 0.0256790426 5.76896244 -3.9549429 -1.8660836 -0.34759668 6.67728122 6.89535085 -2.32885639 7.44601319 5.45819172 -0.08387956 2.31323591 0.81486766 -4.05480683 -0.64546746 -23.48038536 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.00003772 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00256175-01 196728535 tox21-ror-cho-viability-p1 set3 4 -0.49136299 9.90128935 12.34636427 -5.9092455 -1.70692277 4.96737729 0.77132526 -0.36824384 0.74841746 -0.86022007 10.70051467 -0.69484294 -1.62570674 -3.74683672 -0.92952823 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-33-8 66636 144212316 A A Ethyl 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate O=C(OCC)C=1CC(=O)N(N=1)c2ccccc2 Tox21_301999 -NCGC00168342-02 196728524 tox21-ror-cho-viability-p1 set3 4 76.4894813809 -15.6163873 2 -13.6163873 4.9549173134 0.7786844981 0.0123218194 0.67428061 2.72191837 1.52374062 3.11851088 1.80551862 -0.47947309 2.5123844 4.05854085 2.96101144 4.51719715 0.23764895 -1.15974969 1.75540346 1.77326239 -9.68032275 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00256084-01 196728531 tox21-ror-cho-viability-p1 set3 4 -0.76595845 2.93739478 -2.94139506 1.23769303 -0.35365852 -1.37163689 5.39216048 1.91607457 3.85721868 3.92812958 -1.70402979 2.12892349 -3.62099078 0.12598952 -4.57329772 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5988-91-0 110747 144211548 B F 3,7-Dimethyloctanal CC(C)CCCC(C)CC=O Tox21_301231 -NCGC00255913-01 196728532 tox21-ror-cho-viability-p1 set3 4 1.33038415 -2.78327066 20.85656141 14.41345515 14.94591488 1.77734933 5.75332242 15.49235504 2.16640627 11.42720269 12.96245705 7.24658604 3.35533142 7.9508093 -1.24333712 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1792-17-2 74523 144211670 A A N,N'-Dibutylurea CCCCNC(=O)NCCCC Tox21_301353 -NCGC00256159-01 196728946 tox21-ror-cho-viability-p1 set3 4 16.7854920005 -18.868023484 5.5 -13.368023484 1.24751 0.3489196641 0.3206432588 0.86792383 0.80076828 22.45616014 -4.88296314 11.0540671 0.44537863 5.9083263 2.30850897 6.04124784 9.99009607 3.90182766 0.7509937 -0.75949081 -2.33966049 -11.14001957 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 8014-17-3 144211607 Petitgrain oil Tox21_301290 -NCGC00255902-01 196728956 tox21-ror-cho-viability-p1 set3 4 4.15878696 -1.52578643 9.8791532 -6.6253983 2.82917398 11.38895214 10.72672488 12.44886147 -5.69869178 -5.48355093 11.66252493 -1.69635326 13.85695188 10.98345866 10.49288762 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14970-87-7 84733 144211799 Ac 2,2'-[Ethane-1,2-diylbis(oxy)]diethanethiol SCCOCCOCCS Tox21_301482 -NCGC00262934-01 196698320 tox21-ror-cho-viability-p1 set1 4 0.10154403 0.2399061 -1.81965947 -0.59527948 -0.53452208 0.89994274 -0.56087493 -0.29072075 -1.69307539 0.79464677 -0.11401853 -1.7034573 -1.60315172 0.37006725 -0.3864953 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53786-45-1 104609 170466717 B F Ethyl 4-(2-amino-4-chloroanilino)piperidine-1-carboxylate Clc2ccc(NC1CCN(CC1)C(=O)OCC)c(N)c2 Tox21_113929 -NCGC00259046-01 196724057 tox21-ror-cho-viability-p1 set3 -3 61.5659893405 -51.9292651024 12.2914258815 -39.6378392209 4.9549173134 0.9117216839 0.0001715426 11.69580469 5.90506391 6.21464389 10.74059706 16.25470299 11.19632888 15.35579387 16.49543225 18.23987646 12.16431518 13.21198219 14.02232412 6.98364846 5.80152615 -33.70296275 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.4829999999E-7 3.317E-7 7.417E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.00004146 0.000092709999999 50-29-3 3036 144208693 A A p,p'-DDT Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl Tox21_201495 -NCGC00094881-07 196697906 tox21-ror-cho-viability-p1 set1 -2.4 33.4914596268 -24.433191864 0 -24.433191864 4.9549173134 0.9529575352 0.0000060888 1.13282918 -0.18629778 0.03143936 1.34775854 -2.42756812 0.61028735 0.25102309 -1.16013949 0.94290471 -0.83058334 1.47642629 1.86748918 -1.16766421 -2.02849632 -20.36099322 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 65513-72-6 3085326 170465943 I Glafenine hydrochloride Cl.OCC(O)COC(=O)c3ccccc3Nc1ccnc2cc(Cl)ccc12 Tox21_110678_1 -NCGC00167845-02 196698317 tox21-ror-cho-viability-p1 set1 4 0.14947589 3.82110929 2.46514752 5.00245982 3.28183805 -0.35135632 0.0829405 0.16358744 2.24446001 0.58652124 -0.26456395 3.08627127 0.8765838 0.62047127 3.30022043 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79-43-6 6597 170466805 F Dichloroacetic acid ClC(Cl)C(=O)O Tox21_111133_1 -NCGC00024868-09 196698322 tox21-ror-cho-viability-p1 set1 4 -2.76772191 -2.21189923 -0.20296029 -3.11036239 -2.64790867 -1.64174592 -2.92567793 -4.57088334 -5.82200677 -2.21382086 -5.64772108 -1.54056397 0.61123194 -4.70066092 -0.35125444 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104344-23-2 5281064 170464815 A Bisoprolol fumarate O=C(O)/C=C/C(=O)O.CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.CC(C)NCC(O)COc1ccc(cc1)COCCOC(C)C Tox21_111262_1 -NCGC00166260-03 196723656 tox21-ror-cho-viability-p1 set3 4 1.0590929458 -8.960042144 3 -5.960042144 4.9549173134 0.5507725298 0.1509562844 2.8204351 9.25931313 -1.61452389 2.34805798 1.0609099 7.95942781 5.83150532 -0.27554561 -2.07031072 2.69878365 -9.55003512 -6.99125747 -5.48567644 -1.68834619 4.56832727 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3896-11-5 62531 170466547 F Bumetrizole CC(C)(C)c1cc(C)cc(c1O)n2nc3ccc(Cl)cc3n2 Tox21_112379_1 -NCGC00179491-04 196722426 tox21-ror-cho-viability-p1 set3 4 0.26603212 -17.2935311799 8 -9.2935311799 4.9549173134 0.4876933616 0.2058027915 7.75987118 9.15918099 -2.09847911 -6.79500316 6.68073158 16.60312995 15.49439344 15.83071592 -11.54161572 -16.07794265 -15.0580011 8.15349193 -9.83029361 -8.80053389 0.1592889 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1195-16-0 14520 170466625 F Citiolone O=C1SCCC1NC(=O)C Tox21_113346_1 -NCGC00183830-01 196722823 tox21-ror-cho-viability-p1 set3 -2.4 11.8832183006 -27.221424164 0 -27.221424164 0.9999999999 0.9084093911 0.0002077919 2.10116384 -0.12683714 -0.19488665 1.81126219 -2.68853397 -0.91343652 -2.17224369 -1.15404479 0.30946594 0.44629949 -0.86088232 -11.46298216 -12.26432397 -13.68087887 -23.51785347 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94739-29-4 65953 144206840 A A Lemildipine O=C(OC)C1=C(C)NC(COC(N)=O)=C(C1c2cccc(Cl)c2Cl)C(=O)OC(C)C Tox21_113289 -NCGC00017259-07 196722832 tox21-ror-cho-viability-p1 set3 2.4 37.5780357627 25.563507012 2.436492988 28 4.9549173134 0.7040991232 0.036392273 1.09862879 0.91377146 2.32794511 0.65832932 2.05839684 0.71777778 1.23757127 2.16391008 -5.05292251 3.13799976 10.85989924 4.27068923 5.60747397 2.94676155 22.19055253 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27848-84-6 34040 170465878 A Nicergoline Brc1cc(cnc1)C(=O)OC[C@@H]3C[C@]4(OC)c5cccc2c5c(cn2C)C[C@H]4N(C)C3 Tox21_110810_1 -NCGC00013082-04 196723673 tox21-ror-cho-viability-p1 set3 4 -2.69424051 7.61498321 -3.99590217 8.94832495 -0.68162963 5.49741173 8.7628349 7.48554512 3.12036234 1.29712163 5.42381967 -0.7934502 2.06579311 -0.89971786 13.20645524 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4023-65-8 444212 170466847 Fc trans-Aconitic acid OC(=O)C(\CC(=O)O)=C\C(=O)O Tox21_113103_1 -NCGC00253674-01 196723676 tox21-ror-cho-viability-p1 set3 2.1 11.8832183006 84.7960240354 -3.096459159 81.6995648764 0.4 0.8557661891 0.0018771125 0.94838915 -3.74944402 1.47575331 1.51594135 3.49871873 3.30093411 -0.00678537 5.90350499 9.98646208 34.67003886 28.15834175 31.24452968 26.76326808 33.38080001 62.22181933 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 86393-33-1 483180 170466716 A A Fluoroquinolonic acid O=C(O)C2=CN(c1cc(Cl)c(F)cc1C2=O)C3CC3 Tox21_113798 -NCGC00260389-01 196724073 tox21-ror-cho-viability-p1 set3 4 2.88782707 -6.53596839 -5.0242775 -1.53322241 -3.31923528 -2.9498921 3.75064661 2.96695123 -1.60846118 1.88867797 -6.33113362 3.4078267 4.42827038 1.80414545 0.68438986 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.961E-8 6.622E-8 1.481E-7 3.311E-7 7.4029999999E-7 0.000001655 0.000003702 0.0000082769999999 0.00001851 0.00004138 0.00009254 5392-28-9 79358 144210041 F tetra-Aminopyrimidine sulfate Nc1c(N)nc(N)nc1N.O=S(=O)(O)O Tox21_202843 -NCGC00254278-01 196715213 tox21-ror-cho-viability-p1 set2 4 0.4327712569 6.9506393719 -7.4506393719 -0.5 4.9549173134 0.869180304 0.0012170147 -7.96899721 -6.78255569 -5.52731861 -10.37553281 -7.43294883 -7.24877883 -7.40088945 -6.81934605 0.1153799 -2.97667516 0.65380383 -0.98209667 -1.76456749 0.87523215 -0.43193359 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-04-8 8831 144210671 A A Diisobutyl adipate CC(C)COC(=O)CCCCC(=O)OCC(C)C Tox21_300353 -NCGC00254300-01 196715217 tox21-ror-cho-viability-p1 set2 4 -3.84499668 -9.01880632 0.23206691 -0.08500653 -5.87005503 -2.83850804 -6.33847955 -5.35512587 -6.89610507 -3.40037763 -0.18643249 -5.71821641 -0.76220386 -1.21235172 -17.79324859 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25155-30-0 23707968 144210824 F Sodium dodecylbenzenesulfonate [Na+].O=S([O-])(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_300506 -NCGC00254950-01 196714799 tox21-ror-cho-viability-p1 set2 4 1.68180415 2.03184309 -0.74546432 1.35331801 1.94920377 0.26145854 0.22984018 2.07887497 2.45625917 -0.26531867 2.14450556 2.60718679 2.68809504 1.9878997 -0.07631331 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1918-02-1 15965 144211365 A A Picloram Nc1c(Cl)c(nc(Cl)c1Cl)C(=O)O Tox21_301048 -NCGC00254425-01 196714815 tox21-ror-cho-viability-p1 set2 4 -0.33673405 0.78004267 2.91248262 1.25589659 0.68241008 -0.71731576 0.76571438 1.34061048 -0.17906327 1.89881455 1.64482808 4.52737415 5.47493349 2.47135084 5.7986784 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-87-6 7463 144210656 FC p-Cymene Cc1ccc(cc1)C(C)C Tox21_300338 -NCGC00255007-01 196715218 tox21-ror-cho-viability-p1 set2 4 4.47809767 -1.18571855 -1.05254708 1.7143251 -2.04110416 1.14623256 0.35805321 -1.23173866 -0.30392821 3.19612747 1.29021868 2.73392571 4.37376582 2.92856703 0.69252366 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 106-36-5 7803 144211424 FNS Propyl propionate CCC(=O)OCCC Tox21_301107 -NCGC00257518-01 196715226 tox21-ror-cho-viability-p1 set2 4 -2.945584 -4.14590346 0.29057183 -1.80145038 -5.19633177 -1.61160789 -3.6758335 -6.84637348 -6.55083151 -2.55820375 -0.61491815 -0.92362148 -3.57089338 -2.47416639 -1.51929268 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-03-2 326 144211029 B 4-Isopropylbenzaldehyde CC(C)c1ccc(C=O)cc1 Tox21_300712 -NCGC00164164-02 196715228 tox21-ror-cho-viability-p1 set2 4 -2.33033625 -3.69987083 -5.59201366 -3.29179038 -1.32298667 -4.65086049 -6.90117783 -6.40922095 -5.63941371 -3.33828458 -0.50218421 -0.99143583 -0.57125377 0.53899157 -3.44177734 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00254514-01 196715230 tox21-ror-cho-viability-p1 set2 4 -2.30530919 0.00139978 -0.18205555 0.24492554 0.08443859 3.00769489 1.84607505 1.35994086 0.55993035 1.79577603 2.33775792 1.97038327 4.54019323 -1.79048813 -5.53134803 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-63-6 5991 144210731 A A 17alpha-Ethinylestradiol Oc3cc4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@@]1(O)C#C)c4cc3 Tox21_300413 -NCGC00254944-01 196715232 tox21-ror-cho-viability-p1 set2 -2.4 43.2771256911 -30.640892608 0.5 -30.140892608 3.0654483358 0.897620602 0.0003631772 1.37986348 1.69566747 2.87225252 1.20678486 0.44523251 2.32802745 1.78243982 0.25536428 0.48085081 0.58837043 -4.3732072 -5.41945646 3.62351666 -14.31622741 -27.20074384 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126833-17-8 213031 144211359 A A Fenhexamid O=C(Nc1ccc(O)c(Cl)c1Cl)C2(C)CCCCC2 Tox21_301042 -NCGC00090702-02 196715627 tox21-ror-cho-viability-p1 set2 4 2.26233249 3.44894222 -2.10689077 4.24890565 0.19153942 0.92791084 0.06879808 -0.23446399 0.88768458 -0.24533418 1.31849989 3.94867154 -0.65397616 2.43562007 2.27814892 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00258633-01 196715637 tox21-ror-cho-viability-p1 set2 4 -2.99011431 1.3808874 2.87879458 1.4456289 4.61701683 1.78540603 3.41572655 1.36381005 3.04072701 3.62916567 0.25061373 2.79774154 1.49305533 -4.02615455 -0.93337573 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 574-06-1 95416 144208278 A A Benzoin acetate CC(=O)OC(C(=O)c1ccccc1)c2ccccc2 Tox21_201080 -NCGC00163930-04 196715639 tox21-ror-cho-viability-p1 set2 4 1.95084301 4.36786173 2.38981445 2.15071426 3.46956022 1.88751758 2.00157838 5.36843122 3.35888602 0.42432734 -0.49999398 3.1556995 2.12770454 1.60468963 0.39147191 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00258004-01 196716055 tox21-ror-cho-viability-p1 set2 4 2.32870713 6.49542496 1.13745984 2.45081806 4.35767301 6.87574187 3.15424422 4.90332327 3.67910828 -0.99492308 0.1568363 4.71367263 2.4172568 1.10515864 3.22312586 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.331E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 629-11-8 12374 144207648 A A 1,6-Hexanediol OCCCCCCO Tox21_200450 -NCGC00258775-01 196716063 tox21-ror-cho-viability-p1 set2 4 -0.01772772 -2.98450875 0.78601955 0.36566404 0.95403734 0.11990453 0.0703568 3.25516593 3.11989866 0.57101974 1.13434061 -3.05903457 -3.85252305 -1.89898274 -5.80145755 1.166E-9 2.606E-9 5.8279999999E-9 1.303E-8 2.9139999999E-8 6.516E-8 1.457E-7 3.2579999999E-7 7.285E-7 0.000001629 0.0000036429999999 0.0000081449999999 0.00001821 0.00004073 0.00009106 108-90-7 7964 144208421 FC Chlorobenzene Clc1ccccc1 Tox21_201223 -NCGC00178711-03 196713514 tox21-ror-cho-viability-p1 set2 1.1 1.6785492 85.4521415254 1.802102888 87.2542444134 1.826479391 0.9781079597 8E-8 8.24688849 11.23278142 2.23354788 7.17296065 -2.07845456 -2.84121907 -1.05462812 1.35512136 1.88439704 14.61103542 44.73291095 84.06154071 85.04312321 83.28545424 83.69493441 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 204519-65-3 9588170 170465333 A Gemifloxacin mesylate CS(=O)(=O)O.CO\N=C1/CN(CC1CN)c2nc3c(cc2F)C(=O)C(=CN3C4CC4)C(=O)O Tox21_111473_1 -NCGC00253926-01 196713919 tox21-ror-cho-viability-p1 set2 4 30.6378586933 8.693984352 -1.193984352 7.5 4.5044702849 0.6723309705 0.0524772018 0.34855966 -2.37018366 -1.66246192 0.54835459 0.49410756 -3.49252132 -5.99498696 0.72089524 -0.63564326 -0.43967584 -3.9047153 0.16984094 -0.40034338 5.7732167 7.17278252 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-24-1 637566 144210456 A A Geraniol C\C(C)=C\CCC(\C)=C\CO Tox21_300136 -NCGC00164486-04 196713515 tox21-ror-cho-viability-p1 set2 -2.2 29.8492948118 -49.0445260935 -1.85403596 -50.8985620535 3.1924983358 0.9422442163 0.0000184432 0.73155865 1.95419924 -2.05823138 -1.71910327 -2.43877069 -4.15078167 -2.13098246 -4.84814908 -3.48586882 0.68965615 -1.68482904 0.7174062 -9.00119655 -11.56163364 -41.58616036 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 579-23-7 11366 170466597 A Cyclovalone Oc1ccc(cc1OC)C=C3CCCC(=Cc2cc(OC)c(O)cc2)C3=O Tox21_112126_1 -NCGC00254533-01 196713912 tox21-ror-cho-viability-p1 set2 4 19.3311819617 6.834805288 -1.334805288 5.5 4.9549173134 0.7029110098 0.0475368493 -0.39745166 -0.05378545 -1.88393271 -0.66878233 0.26797664 -4.86233774 -1.65976074 -0.52272731 -1.00142708 -1.51635881 -0.72554966 -1.49771916 1.54040009 5.46449224 -2.26772163 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-08-0 2955 144210875 A A Dapsone Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2 Tox21_300558 -NCGC00254311-01 196713927 tox21-ror-cho-viability-p1 set2 4 2.06204875 -1.80221584 -2.24478143 -3.62564842 -0.80392062 0.05934597 -3.99197088 -6.61572163 3.30101359 -2.17061891 0.10237389 0.90613432 1.36812856 1.66056203 -3.00317573 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47305 9828356 144210783 FNS CP-608039 Cc5cc(COc4ccc(Cl)cc4CNc3ncnc2c3ncn2[C@@H]1O[C@H](C(=O)NC)[C@@H](N)[C@H]1O)on5 Tox21_300465 -NCGC00254447-01 196713932 tox21-ror-cho-viability-p1 set2 -2.3 108.7072248181 -79.6401282818 -0.621478009 -80.2616062908 0.4 0.5932521309 0.1014752258 -2.73539919 -0.34524132 0.4105329 -1.38455951 0.28665795 -1.52630992 -2.44379888 -11.85638813 -21.38115736 -27.99449094 -19.80153846 -10.84547983 -12.74453045 -16.11792961 -60.80424719 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-77-8 3117 144210721 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_300403 -NCGC00254871-01 196714331 tox21-ror-cho-viability-p1 set2 4 -0.66445211 -8.29383519 -5.30525528 -7.37716418 -1.99640551 -4.62208061 -9.1226721 -0.54100183 1.13495567 -4.29888837 -1.75384041 -4.02027571 -2.60768979 -3.74026101 -1.27555327 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1113-02-6 14210 144211285 A C Omethoate COP(=O)(OC)SCC(=O)NC Tox21_300968 -NCGC00254613-01 196714334 tox21-ror-cho-viability-p1 set2 4 1.47345824 -1.49189967 -3.5025459 -3.68705054 1.19146913 -2.16374939 -4.02501335 -2.14857602 2.6343259 -7.43822323 1.64621576 -0.58600363 -4.41072688 -5.48430769 -3.99457622 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87674-68-8 91744 144211022 A A Dimethenamid Cc1csc(C)c1N(C(C)COC)C(=O)CCl Tox21_300705 -NCGC00254998-01 196714346 tox21-ror-cho-viability-p1 set2 4 2.07852167 1.34263322 -0.37150129 0.81223158 -0.39858388 2.30929704 1.34809183 -0.50547129 1.24110266 3.38738133 -0.45786018 3.29796662 4.55511178 -0.13350003 1.4939101 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-22-0 643684 144211415 A A (9Z,12R)-12-Hydroxyoctadec-9-enoic acid CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)O Tox21_301098 -NCGC00254618-01 196714745 tox21-ror-cho-viability-p1 set2 4 -1.83402364 -0.55764398 -3.33399188 -5.36370976 -8.71817582 0.93472843 -3.30527893 -11.08992518 -5.29273057 0.34462617 -5.0381969 -14.39241217 0.78346647 -6.7498037 1.9194651 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7540-51-4 7793 144211028 A A (S)-(-)-beta-Citronellol C\C(C)=C\CC[C@H](C)CCO Tox21_300711 -NCGC00090986-03 196714756 tox21-ror-cho-viability-p1 set2 4 69.008347349 -22.272476448 1 -21.272476448 4.9549173134 0.9650225097 0.0000011746 0.63141968 0.22235802 1.8120108 -0.56963129 0.8863025 2.0669376 0.94206018 1.0666447 0.72559973 1.72372127 0.8780374 1.70695026 2.01799367 1.36999362 -17.31039704 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00253972-01 196715156 tox21-ror-cho-viability-p1 set2 4 -5.31315271 -4.00152203 -1.56476606 -4.85021781 -2.57055415 -2.63103169 -2.48157166 -3.29430038 -3.59550009 2.11541892 -0.90046188 -5.14095125 -0.76303168 -7.79746192 -7.97922685 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-79-3 8341 144210421 A A 2-Aminoanthraquinone Nc2ccc3C(=O)c1ccccc1C(=O)c3c2 Tox21_300101 -NCGC00258603-01 196730198 tox21-ror-cho-viability-p1 set3 4 0.62903122 -0.37585156 1.06265739 1.2699848 1.9559372 0.57457084 1.82849235 2.88161102 1.48276709 1.58820893 2.64151817 3.96628654 1.54834942 -1.03391492 -0.66664786 1.177E-9 2.6319999999E-9 5.886E-9 1.316E-8 2.943E-8 6.5809999999E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.000003679 0.000008226 0.00001839 0.00004113 0.000091969999999 1623-08-1 74189 144208248 A A Dibenzyl phosphate O=P(O)(OCc1ccccc1)OCc2ccccc2 Tox21_201050 -NCGC00257653-01 196729783 tox21-ror-cho-viability-p1 set3 4 0.36903495 0.70580279 0.91168992 0.39702402 3.9655166 -0.08409159 3.57893085 3.83175312 9.23723484 0.19010915 2.60558288 4.26991195 1.46745918 3.23752084 7.88481754 1.2069999999E-9 2.699E-9 6.034E-9 1.349E-8 3.017E-8 6.747E-8 1.509E-7 3.373E-7 7.5429999999E-7 0.000001687 0.0000037709999999 0.0000084329999999 0.00001886 0.00004217 0.00009429 3148-73-0 72884 144207297 A B Diacetyl hydrazine CC(=O)NNC(C)=O Tox21_200099 -NCGC00257623-01 196729784 tox21-ror-cho-viability-p1 set3 4 24.1633761507 -14.650268544 -0.5 -15.150268544 0.9999999999 0.7987123151 0.0116388859 1.59666315 -2.12373532 1.20052122 -1.89980478 0.33344045 -0.513296 -2.32358204 -1.56493766 0.45048833 -0.4687445 -3.57026478 -5.4634312 -4.60073675 -10.95855712 -2.4242101 1.173E-9 2.624E-9 5.867E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.28E-7 7.3329999999E-7 0.0000016399999999 0.000003667 0.0000081989999999 0.00001833 0.000041 0.00009167 114-83-0 8247 144207267 A A 1-Acetyl-2-phenylhydrazine CC(=O)NNc1ccccc1 Tox21_200069 -NCGC00257702-01 196729796 tox21-ror-cho-viability-p1 set3 4 -0.32807248 -0.74679087 -0.8877965 0.09699137 0.97883337 0.35806358 -1.10101227 -0.03769787 -2.51382738 4.41077348 2.13457473 0.83325868 -2.55336716 -1.23332053 0.60765626 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 25265-77-4 6490 144207346 AC 2,2,4-Trimethyl-1,3-pentanediol monoisobutyrate CC(C)(COC(=O)C(C)C)C(O)C(C)C Tox21_200148 -NCGC00256351-01 196727362 tox21-ror-cho-viability-p1 set3 4 25.1333196264 -16.6275357279 -2.5 -19.1275357279 4.0949729863 0.7710280193 0.0138916683 -1.2763801 -4.12434292 -1.94695859 -3.90389481 -3.03542779 -5.46636097 -3.48618877 1.86738493 -6.54158871 0 0 2.59770485 -6.67304517 -12.43072189 -19.27294644 8.258E-10 1.8469999999E-9 4.1289999999E-9 9.2329999999E-9 2.065E-8 4.616E-8 1.032E-7 2.308E-7 5.161E-7 0.0000011539999999 0.000002581 0.0000057709999999 0.0000129 0.00002885 0.00006452 6459-94-5 5479172 144213294 F C.I. Acid Red 114 [Na+].[Na+].[O-]S(=O)(=O)c5cc(cc6ccc(O)c(/N=N/c1ccc(cc1C)c4ccc(/N=N/c3ccc(OS(=O)(=O)c2ccc(C)cc2)cc3)c(C)c4)c56)S([O-])(=O)=O Tox21_302977 -NCGC00255072-01 196698771 tox21-ror-cho-viability-p1 set1 4 60.7577547203 13.7742016119 -1.2742016119 12.5 2.9022712143 0.7163894963 0.0317706527 -1.50738925 -5.64516801 -1.83865403 -1.75633821 -3.00969509 1.14281542 -2.72219804 -1.621966 0.69617696 -0.65520586 -2.17767741 1.21961306 0.69838198 1.27165523 9.49096748 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 107-75-5 7888 144211491 A A 7-Hydroxy-3,7-dimethyloctanal O=CCC(C)CCCC(C)(C)O Tox21_301174 -NCGC00096122-05 196698341 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -20.8933487359 0.5 -20.3933487359 4.9549173134 0.7093398572 0.0342250649 -0.05350099 7.30638407 -1.44780707 -1.2899717 1.55166426 1.58373772 0.32006411 4.47076514 0.5388236 1.0218883 -5.24285984 -1.1490096 -1.41627589 0.90426419 -16.99445728 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 574-25-4 676166 170465903 A Thioinosine Sc3ncnc2c3ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Tox21_111558_1 -NCGC00168774-02 196698347 tox21-ror-cho-viability-p1 set1 4 4.09467649 2.56745705 0.26445797 2.51141468 0.71990582 5.05092525 4.32641176 3.19715641 1.96402318 0.29916155 5.00781995 5.66322598 3.44874147 3.27279598 3.84929909 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 161735-79-1 3052775 170465410 A Rasagiline mesylate CS(=O)(=O)O.C#CCN[C@@H]2CCc1ccccc12 Tox21_112635_1 -NCGC00091586-02 196698748 tox21-ror-cho-viability-p1 set1 4 -0.14449115 1.4625138 -3.04062814 -2.39881688 1.40199301 0.9031309 -0.13055424 0.08808424 -0.58580369 -2.27555027 0.01137432 -0.0048747 3.77706741 -2.3050442 -3.44018606 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00254955-01 196699184 tox21-ror-cho-viability-p1 set1 4 43.2771256911 -11.237775928 2 -9.237775928 3.5117481694 0.5130272843 0.1679671804 2.72615375 5.83962829 2.12670633 -5.06033446 0.86986096 3.84854629 0.30450438 1.82675082 1.0099988 1.62832119 4.96523754 0.99059024 7.45960356 -3.8036549 -8.53147994 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10595-06-9 66357 144211370 Z Z Ethylene glycol phenyl ether methacrylate C=C(C)C(=O)OCCOc1ccccc1 Tox21_301053 -NCGC00254092-01 196699185 tox21-ror-cho-viability-p1 set1 4 0.225161 -0.25579493 -5.65951281 -0.9057038 -0.43859644 -0.29798198 -1.6406025 -6.5550293 -10.22672815 0.5019639 -0.09977549 -0.54383786 -0.21979575 -0.31410487 3.85294299 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-64-5 323 144210377 A A Coumarin O=C1C=Cc2ccccc2O1 Tox21_300057 -NCGC00254521-01 196699580 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -14.2467433999 1 -13.2467433999 4.9549173134 0.5299009992 0.1536334185 1.14407291 6.78549782 -0.36987128 -0.04962561 -2.74982114 -0.77792779 -0.82046504 -0.51856319 -0.04436143 0.13147907 0.33626168 -0.27586365 4.97558371 4.47067443 -10.2056195 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-70-8 7309 144210708 A A 2-tert-Butyl-4-ethylphenol CC(C)(C)c1cc(ccc1O)CC Tox21_300390 -NCGC00254510-01 196699588 tox21-ror-cho-viability-p1 set1 4 30.6378586933 9.9554150079 -2.9554150079 7 0.4 0.4369999663 0.6961775695 -1.77806786 -1.42368231 -6.21284584 -2.90064348 -2.65400218 -2.5592595 2.79388937 -3.80927658 -0.00008906 -1.78085401 -2.03047611 3.27128108 -70.24589827 -0.13230213 4.87486445 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144210697 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_300379 -NCGC00254716-01 196699589 tox21-ror-cho-viability-p1 set1 4 -0.06699451 0.99108109 -0.05987743 0.96025292 -1.41805087 2.08176289 2.58651494 1.91915722 1.32522251 -0.09754386 -8.32895303 -1.57863199 2.18590067 2.0231329 -0.02185495 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.00000369 0.000008252 0.000018449999999 0.000041259999999 0.00009226 10339-55-6 6433547 144211129 B Ethyl linalool CC(O)(CC\C=C(/C)CC)C=C Tox21_300812 -NCGC00254212-01 196699590 tox21-ror-cho-viability-p1 set1 4 0.74798528 -3.86907465 -5.67469528 -10.09781575 -2.350587 -1.64312676 -2.38957416 -4.42780369 -6.22646325 -3.10016086 -4.82219036 0.92448985 -2.49975067 -8.64107918 -5.39403238 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 826-62-0 13223 144210593 A A 2-Norbornene-5,6-dicarboxylic anhydride O=C1OC(=O)C3C1C2CC3C=C2 Tox21_300273 -NCGC00254225-01 196699998 tox21-ror-cho-viability-p1 set1 4 0.24084663 1.8791212 -2.20064162 -1.39625626 -4.85050719 -6.20529031 2.71540214 -1.59126267 -0.31791824 -3.20698298 0.4760208 -1.57401681 -2.42641186 -0.40997749 -4.49908778 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 151-21-3 3423265 144210469 A Sodium dodecyl sulfate [Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC Tox21_300149 -NCGC00091080-03 196724118 tox21-ror-cho-viability-p1 set3 4 76.9588215421 18.7787093239 -0.7787093239 18 4.9549173134 0.3734383756 0.2975709167 1.04037602 4.96193249 3.28395038 -8.98225777 -2.30930234 -8.89664525 0.8839001 2.87321079 -0.74227952 3.04556369 -0.09572138 3.9877611 -6.6159478 -6.43581578 13.69687424 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00258501-01 196716475 tox21-ror-cho-viability-p1 set2 4 0.0088549162 5.284838832 -5.784838832 -0.5 4.9549173134 0.3720622276 0.3012948116 -1.70443643 -8.15403236 -7.08446119 2.21196368 -0.31410429 -0.85601415 0.55963339 -1.35136426 -2.02405902 -0.78231831 -0.36101291 1.0987163 1.90341248 -7.04371265 3.16984987 1.2049999999E-9 2.694E-9 6.0229999999E-9 1.347E-8 3.012E-8 6.7339999999E-8 1.506E-7 3.367E-7 7.529E-7 0.0000016839999999 0.0000037639999999 0.000008418 0.00001882 0.00004209 0.000094109999999 3132-99-8 76583 144208146 A A 3-Bromobenzaldehyde O=Cc1cc(Br)ccc1 Tox21_200948 -NCGC00164164-02 196716457 tox21-ror-cho-viability-p1 set2 4 3.38465534 2.19105458 0.35822985 2.78152948 3.2944058 3.85804393 2.66870724 2.10257579 3.78595737 -0.52451654 4.03770647 1.67020685 -1.37159753 1.10947482 2.23140017 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00257738-01 196716470 tox21-ror-cho-viability-p1 set2 4 0.77541355 2.01746825 0.90094957 0.92670946 -0.49761986 -0.11482754 0.71669868 0.31768957 2.59334118 1.01469405 0.27920805 1.21423739 -0.00500868 2.29777855 -0.08814774 1.173E-9 2.6229999999E-9 5.865E-9 1.311E-8 2.9319999999E-8 6.557E-8 1.466E-7 3.279E-7 7.3309999999E-7 0.0000016389999999 0.0000036659999999 0.000008197 0.00001833 0.00004098 0.00009164 106-63-8 7819 144207382 FNS Isobutyl acrylate C=CC(=O)OCC(C)C Tox21_200184 -NCGC00095054-05 196716882 tox21-ror-cho-viability-p1 set2 4 2.561699 0.64636894 0.41346575 1.3755247 3.1106915 6.16346504 5.16680182 6.14588626 4.56653452 4.4304738 3.2198645 3.31781101 3.61708886 3.40834783 3.47358719 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 102-29-4 5055 170465513 Fc Resorcinol monoacetate O=C(C)Oc1cccc(O)c1 Tox21_111406_1 -NCGC00247701-01 196716895 tox21-ror-cho-viability-p1 set2 4 -1.91206875 -2.33871549 -3.53209979 -6.18117976 -1.14694158 -5.13114762 0.8856264 -0.83549876 -8.43045301 -16.68384037 -2.74729819 -6.60837604 -4.21646239 -2.06135231 -7.08928824 1.389E-9 3.105E-9 6.943E-9 1.552E-8 3.471E-8 7.7619999999E-8 1.736E-7 3.881E-7 8.678E-7 0.000001941 0.000004339 0.0000097029999999 0.0000217 0.000048509999999 0.0001085 74341-83-6 60196328 144206405 A D 1-(1,3-Benzodioxol-5-yl)-N-hydroxypropan-2-amine hydrochloride Cl.CC(NO)Cc1ccc2OCOc2c1 Tox21_112852 -NCGC00253581-01 196717289 tox21-ror-cho-viability-p1 set2 4 -2.7502092 -1.92769571 -1.94079947 -1.0230754 -4.61323027 -0.2696662 -2.26871967 -2.1908744 -2.91775912 -2.23406715 -0.46489429 0.12627683 -0.10662584 0.28626215 -1.35641668 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 85801-02-1 5282183 170466014 F A Indomethacin farnesil Clc1ccc(cc1)C(=O)n3c2ccc(cc2c(CC(=O)OC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C)c3C)OC Tox21_113722 -NCGC00015257-14 196717303 tox21-ror-cho-viability-p1 set2 4 1.1883218301 -81.4949248427 81.1322953927 -0.36262945 4.9549173134 0.9317276767 0.0589937438 85.53336782 86.03062555 31.85178294 77.31875526 49.53463273 85.31403685 94.55978484 22.61646708 85.81345872 73.88318939 0.6235385 0.11606289 -0.69742382 5.30651851 1.11413483 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 637-07-0 2796 170465329 F Clofibrate Clc1ccc(OC(C)(C)C(=O)OCC)cc1 Tox21_110116_1 -NCGC00263653-01 196717705 tox21-ror-cho-viability-p1 set2 4 0.2984929481 -6.9843744599 4 -2.9843744599 4.9549173134 0.8780552519 0.0014587005 4.83695882 1.94586938 3.6270751 3.01479622 3.31068221 2.55641048 7.00706017 5.22717957 -1.30594796 -3.21664002 -2.51553936 -3.32031205 -2.70247021 -2.66513871 4.04667941 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64603-91-4 3448 170466512 Z Gaboxadol O=C2NOC=1CNCCC=12 Tox21_110271_1 -NCGC00159412-04 196717708 tox21-ror-cho-viability-p1 set2 4 1.03908793 -0.40462601 0.33501685 1.28591272 5.33061779 6.63290417 3.03465524 5.64661979 -0.08582491 -0.26683901 0.15587657 0.04247565 2.3070284 -0.40767598 -0.51456229 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77-86-1 6503 170464686 A Tromethamine OCC(N)(CO)CO Tox21_111645_1 -NCGC00092362-02 196717712 tox21-ror-cho-viability-p1 set2 4 -0.15973907 -2.11323401 -0.72393447 -5.0580944 -5.28778742 -1.96112363 1.69464598 -1.03886743 -3.9244209 -0.95730646 1.14218042 -0.26859538 -5.26610466 -5.27872043 2.07227746 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112108-01-7 107930 170466462 A Ecopipam Oc3cc4[C@@H]1[C@H](CCc2ccccc12)N(C)CCc4cc3Cl Tox21_111197_1 -NCGC00016801-05 196717714 tox21-ror-cho-viability-p1 set2 4 21.1316824289 6.7881761679 -2.7881761679 4 3.9294729863 0.4815226957 0.199187652 -0.73370711 -1.9954852 -3.52509264 -2.15558576 -1.04970889 -4.37900833 -1.55385126 -3.12865129 -4.29612381 -7.32348014 0.49986319 -4.6353908 -3.66229252 0.33018219 3.66750558 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27912-14-7 5284409 170464743 A Levobunolol hydrochloride Cl.CC(C)(C)NC[C@H](O)COc2cccc1c2CCCC1=O Tox21_110617_1 -NCGC00163903-03 196717717 tox21-ror-cho-viability-p1 set2 4 1.96385979 1.98874318 1.76011229 3.43655919 3.79302505 -0.0988055 1.6691858 1.3305464 -0.38073718 0.95889305 -0.42159305 -1.48321984 -0.45845126 -0.087168 1.06957148 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00257309-01 196718145 tox21-ror-cho-viability-p1 set2 4 -2.82439289 -3.16619865 -1.56527467 2.50550398 1.070583 -2.42765642 2.32384284 2.72144333 -6.59117151 -0.48832359 -4.65067073 0.55423254 1.23179178 -2.30042432 -6.59174666 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7398-69-8 33286 144213672 A Dimethyldiallylammonium chloride [Cl-].C=CC[N+](C)(C)CC=C Tox21_303355 -NCGC00258385-01 196715581 tox21-ror-cho-viability-p1 set2 4 -0.26465289 -0.46778659 -0.01817274 0.91192522 -0.56316196 6.19336273 0.77424317 4.57005852 4.53042494 1.20395054 -2.11269168 1.0735523 1.05476366 1.14229941 -1.37377548 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.299E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.00001844 0.00004124 0.00009222 26675-46-7 3763 144208029 A Isoflurane FC(F)(F)C(Cl)OC(F)F Tox21_200831 -NCGC00254634-01 196715170 tox21-ror-cho-viability-p1 set2 4 0.6113056486 3.9999726521 -5.325428516 -1.3254558639 1.4641 0.3816970913 0.2926478424 -3.80542748 -6.60408736 -0.27121322 -11.52119043 -3.13270328 -7.94910325 -3.99347835 -5.80525063 -1.94715522 -1.04091777 -2.35098929 -2.20478465 -1.47468464 -0.8848299 -0.41554512 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1000-05-1 6328651 144211045 D 1,1,3,3,5,5,7,7-Octamethyltetrasiloxane C[SiH](C)O[Si](C)(C)O[Si](C)(C)O[SiH](C)C Tox21_300728 -NCGC00254170-01 196715180 tox21-ror-cho-viability-p1 set2 -2.4 61.130564862 -32.4362135239 2 -30.4362135239 4.9549173134 0.963772339 0.0000014162 0.19549268 1.57931387 0.66506041 0.30049387 1.65806851 4.32495733 1.17596211 0.4306749 3.64238887 4.91421156 2.43768013 2.38284033 1.36884153 -2.18459142 -26.61351127 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139340-56-0 6439420 144210522 A B Darbufelone mesylate O=C2NC(=N)S/C2=C\c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C.CS(=O)(=O)O Tox21_300202 -NCGC00257590-01 196715574 tox21-ror-cho-viability-p1 set2 4 38.5707788719 -10.44442954 -0.5 -10.94442954 0.9999999999 0.3239686071 0.3463030475 2.82396759 -2.26632847 0.08621366 -6.72101099 -2.38338543 3.44057115 1.14582994 3.36836042 -2.75357444 2.66143916 -7.86441624 0.98465305 -5.21110416 -3.90855585 -9.12035795 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-26-2 8102 144207234 FNS Hexylamine CCCCCCN Tox21_200036 -NCGC00258466-01 196715588 tox21-ror-cho-viability-p1 set2 -2.1 53.8184779572 -90.11742866 -1.375214592 -91.492643252 3.1924983358 0.9767706796 1.125E-7 -1.96485658 -5.13976865 -2.88670381 -9.29346563 -0.68157064 -2.02074848 -1.24759667 -1.14125106 1.41762953 0.01753478 -1.48023202 0.91334728 1.86377982 -29.27408235 -76.8883661 1.1679999999E-9 2.6129999999E-9 5.8419999999E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.461E-7 3.2659999999E-7 7.3029999999E-7 0.0000016329999999 0.0000036509999999 0.0000081649999999 0.00001826 0.00004082 0.00009129 8001-35-2 5284469 144208110 FNS Toxaphene ClC2(Cl)C1(Cl)C(Cl)C(Cl)C2(Cl)C(=C)C1(CCl)CCl Tox21_200912 -NCGC00258267-01 196715595 tox21-ror-cho-viability-p1 set2 4 0.05891418 2.4352668 -3.3343033 1.6049347 1.47443776 3.86940758 -3.3093236 -3.66298448 -0.04251359 2.96410002 5.44423582 0.54586911 -4.82540009 0.04844217 3.96825558 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003673 0.0000082119999999 0.000018359999999 0.00004106 0.000091819999999 534-15-6 10795 144207911 FC 1,1-Dimethoxyethane CC(OC)OC Tox21_200713 -NCGC00258525-01 196715991 tox21-ror-cho-viability-p1 set2 4 -1.07536703 -7.78311706 -1.57400205 -0.28888366 -1.20639068 -1.14816305 -2.15803237 -5.31097809 -0.13494789 1.85413658 -4.09431679 -3.18172529 -1.46078431 1.08392134 -3.46906398 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.961E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.000003701 0.000008275 0.0000185 0.00004137 0.000092519999999 58-94-6 2720 144208170 A A Chlorothiazide NS(=O)(=O)c2cc1c(N=CNS1(=O)=O)cc2Cl Tox21_200972 -NCGC00258759-01 196716004 tox21-ror-cho-viability-p1 set2 4 -0.06991071 0.24555941 0.01394582 -0.17057485 -0.10928514 -0.57806523 0.43428767 -1.21483928 -0.52845579 -0.7145423 -0.71955506 0.81694389 2.40204669 -2.64291861 4.51970257 1.1679999999E-9 2.6129999999E-9 5.8419999999E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.4599999999E-7 3.2659999999E-7 7.3019999999E-7 0.0000016329999999 0.0000036509999999 0.000008164 0.00001826 0.00004082 0.00009128 79-31-2 6590 144208405 A A 2-Methylpropanoic acid CC(C)C(=O)O Tox21_201207 -NCGC00258666-01 196716403 tox21-ror-cho-viability-p1 set2 4 2.75872457 2.06528553 3.49826653 2.8336417 3.38141766 5.04817884 0.74848158 3.44333799 5.37991881 5.13481568 3.10135984 3.69133224 3.86842112 2.45259783 3.60570882 1.1449999999E-9 2.559E-9 5.7229999999E-9 1.28E-8 2.861E-8 6.398E-8 1.431E-7 3.199E-7 7.154E-7 0.0000016 0.000003577 0.000007998 0.000017879999999 0.00003999 0.00008942 79-11-8 300 144208312 A A Chloroacetic acid ClCC(=O)O Tox21_201114 -NCGC00091278-03 196716411 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -10.476853256 1 -9.476853256 4.9549173134 0.7223477627 0.0300300409 1.57448863 3.17152531 1.09303448 1.29885006 0.59898016 2.54587566 -1.24782594 2.33974553 -0.52062412 -0.33282479 -0.52270937 1.9024923 0.54605268 1.51054067 -7.06404438 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00356960-01 196712288 tox21-ror-cho-viability-p1 set2 4 -5.03753043 -0.96030269 -3.91393357 -2.19351471 -0.44686847 -2.90200019 -5.72687658 -1.7922458 -4.88644504 -9.65374396 -5.82167149 -14.26469617 -1.22980071 -7.96363382 -7.71695611 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1656-48-0 15452 251919781 A 3,3'-Oxydipropionitrile N#CCCOCCC#N Tox21_303726 -NCGC00260505-01 196711872 tox21-ror-cho-viability-p1 set2 4 19.232929515 13.1354407119 -0.1354407119 13 3.5722481694 0.8114296155 0.0062553993 -0.9439815 -2.58632763 -1.4225941 3.53627977 4.42564497 -2.61286726 0.53877533 -2.01449615 1.39665461 2.30230122 -1.88497686 -0.32024659 6.4252363 11.32469485 13.55738248 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003673 0.0000082119999999 0.000018359999999 0.00004106 0.000091819999999 4752-10-7 78490 144210157 C D 1,4-Dichlorophthalazine Clc2nnc(Cl)c1ccccc12 Tox21_202959 -NCGC00260064-01 196711873 tox21-ror-cho-viability-p1 set2 4 -0.00932949 -0.5256893 -8.88653941 -0.14880044 1.96066629 -0.96173278 -1.61641984 0.24190691 2.70278286 -2.15363633 3.47559022 1.64025303 5.0733457 0.06430834 -4.29809723 1.189E-9 2.6589999999E-9 5.945E-9 1.3289999999E-8 2.973E-8 6.647E-8 1.486E-7 3.323E-7 7.4319999999E-7 0.000001662 0.000003716 0.000008309 0.000018579999999 0.00004154 0.00009289 149-91-7 370 144209713 A A Gallic acid Oc1cc(cc(O)c1O)C(=O)O Tox21_202515 -NCGC00090964-04 196725636 tox21-ror-cho-viability-p1 set3 4 0.0003437624 13.4948125 -11.4948125 2 0.3 0.4789198075 0.1993165808 -5.482145 -7.91234375 -4.10065591 -0.16183436 -2.3614764 0.35082961 -6.83289384 2.86680765 -4.09840423 0.2238868 3.36818624 2.39620178 1.20072245 -0.497871 1.83101515 1.1799999999E-10 2.638E-10 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 112-57-2 8197 170464940 Z Tetraethylenepentamine NCCNCCNCCNCCN Tox21_111047_1 -NCGC00260035-01 196724799 tox21-ror-cho-viability-p1 set3 4 75.3182330836 -22.6898935159 -1.5 -24.1898935159 4.4494702849 0.579057009 0.1128061465 -6.6978206 -1.6111185 -1.76851783 -1.24604599 1.24271054 1.97460847 5.16835535 -5.76164109 -4.52975902 3.30447802 -5.79789146 -3.40730895 -2.39066598 -2.66247853 -17.24157793 1.159E-9 2.592E-9 5.795E-9 1.2959999999E-8 2.898E-8 6.479E-8 1.449E-7 3.24E-7 7.244E-7 0.00000162 0.000003622 0.000008099 0.000018109999999 0.00004049 0.000090549999999 532-82-1 10771 144209684 A C C.I. Basic Oange 2 Cl.Nc2ccc(\N=N/c1ccccc1)c(N)c2 Tox21_202486 -NCGC00262938-01 196725215 tox21-ror-cho-viability-p1 set3 4 0.0084126743 22.5 -2.5 20 0.4999999999 0.56422156 0.1238811982 2.65415323 1.12594267 9.5459418 7.63665014 9.56377673 19.50160295 0 18.2927588 22.51793807 21.03210131 16.92138108 22.95139242 15.26896865 14.28151976 22.28160373 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55779-18-5 41574 170466341 A Ac Arprinocid Fc3cccc(Cl)c3Cn2cnc1c(N)ncnc12 Tox21_113931 -NCGC00249902-01 196725234 tox21-ror-cho-viability-p1 set3 4 4.7307944147 16.189951876 2.310048124 18.5 0.7999999999 0.3729204228 0.314017142 0.01315618 4.63017524 8.37155962 -6.40829323 -2.30830783 3.99370758 11.98843347 7.03576894 4.31924878 -2.59527484 3.69973183 17.13497802 13.51301208 12.64046007 6.35160338 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98123-83-2 72026 170465737 A F Epsiprantel O=C2CN(CC1c3ccccc3CCCN12)C(=O)C4CCCCC4 Tox21_113678 -NCGC00091470-05 196725637 tox21-ror-cho-viability-p1 set3 4 3.3491459627 -5.6812787119 4 -1.6812787119 4.9549173134 0.3696264564 0.3026197956 5.11487811 4.80643582 1.9811094 -0.29116709 2.0989022 4.64098017 10.0616746 -1.84782418 10.06790444 3.49217567 4.84430487 -0.35401551 -0.77519872 -4.31773226 0.18183178 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97-54-1 7338 170465654 F Isoeugenol Oc1ccc(cc1OC)C=CC Tox21_111138_1 -NCGC00344543-01 196725644 tox21-ror-cho-viability-p1 set3 -1.1 3.3491459627 -73.9349306331 -0.613446566 -74.5483771991 1.98874246 0.9926364043 1E-10 -0.87538125 -0.56458718 6.55263492 -1.59465249 -0.88680655 -2.10895194 -3.43252613 -2.2989617 -3.84131132 -5.19256625 -15.64494171 -47.18347438 -63.28418144 -74.30102969 -74.58183074 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72496-41-4 11296583 170465822 Cc Pirarubicin OCC(=O)[C@]4(O)Cc3c(c(O)c2C(=O)c1c(OC)cccc1C(=O)c2c3O)[C@H](C4)O[C@H]6C[C@H](N)[C@H](O[C@@H]5CCCCO5)[C@H](C)O6 Tox21_112602_1 -NCGC00015410-08 196725652 tox21-ror-cho-viability-p1 set3 4 29.8492948118 17.884845168 0.115154832 18 0.3 0.3783730419 0.2937124573 2.53776384 -2.40403764 0.72316471 6.59016298 -1.81685937 -2.358054 9.60548004 5.88373974 1.97951313 6.57108621 3.00175911 6.19268781 6.68000296 4.20197809 13.81908389 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 89197-32-0 72016 170466438 A Efaroxan CCC1(Cc2ccccc2O1)C3=NCCN3 Tox21_110139_1 -NCGC00090701-06 196725654 tox21-ror-cho-viability-p1 set3 1.2 0.0061130565 35.210216452 -18.710216452 16.5 1.031 0.8376974566 0.0048240104 -12.25851371 -11.33208233 1.53245697 7.08116322 8.57350829 14.47933943 11.44998081 21.36160132 16.1763262 5.21102464 14.47038567 22.94451914 20.53994213 19.10094721 5.66840563 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00255229-01 196729028 tox21-ror-cho-viability-p1 set3 4 54.4826732819 -21.994379148 -2 -23.994379148 0.7999999999 0.7094289059 0.0342807151 1.18238389 -0.44338384 -5.67107242 -5.27906351 -1.09241735 -6.0418807 -0.56025098 -3.938902 -5.03468916 -5.43943469 -2.9945386 -7.02830584 -7.08680527 -9.25271781 -18.32864929 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52-01-7 5833 144212471 F A Spironolactone CC(=O)S[C@@H]4CC1=CC(=O)CC[C@]1(C)[C@H]5CC[C@@]3(C)[C@@H](CC[C@]23CCC(=O)O2)[C@H]45 Tox21_302154 -NCGC00255498-01 196729017 tox21-ror-cho-viability-p1 set3 4 15.3553036427 -21.161351416 0 -21.161351416 1.331 0.9023348556 0.0002875766 -0.36967818 -1.59851334 -3.30780053 -3.0555373 2.16673234 -0.53319428 3.11612818 1.53865392 2.95545925 -2.54581112 -1.80777589 -9.07282768 -9.90828149 -17.10523481 -19.30112618 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5850-86-2 23682559 144211971 A C.I. Acid Orange 8, monosodium salt [Na+].O=S([O-])(=O)c3cc(C)c(/N=N/c1c2ccccc2ccc1O)cc3 Tox21_301654 -NCGC00255393-01 196729019 tox21-ror-cho-viability-p1 set3 4 21.6899429044 16.3211899719 -0.3211899719 16 2.7202212143 0.3079532373 0.3593988907 7.13080957 -9.33686471 -10.26765831 2.62585712 -2.24114563 9.81137372 8.56867436 -5.25641253 5.90292929 -6.3561336 -9.57526959 12.55483406 -0.21612735 21.34348352 10.96182706 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5124-30-1 21202 144211790 F Ac 1,1-Methylenebis(4-isocyanatocyclohexane) O=C=N/C1CCC(CC1)CC2CCC(/N=C=O)CC2 Tox21_301473 -NCGC00255643-01 196700849 tox21-ror-cho-viability-p1 set1 4 -1.8326411 1.34006235 1.04357813 -2.18221811 0.26145437 -14.9684834 0.5651294 0.16561037 0.26796405 -0.13947779 0.87747938 -3.20743402 1.7023799 5.77841485 1.5540168 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3681-71-8 5363388 144212607 F Fns (3Z)-3-Hexenyl acetate O=C(C)OCC/C=C\CC Tox21_302290 -NCGC00255399-01 196700833 tox21-ror-cho-viability-p1 set1 -2.4 30.6378586933 -26.8264693599 0 -26.8264693599 1.5385888099 0.9476251818 0.0000108958 2.83766546 0.18206042 -3.25004859 -0.16622766 0.31227535 0.53396461 1.08427544 -2.09028471 -0.36384272 0.2714522 -3.2511436 -1.54090392 -9.87746331 -14.93442674 -24.0220578 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81-54-9 6683 144211843 A A Purpurin O=C2c1ccccc1C(=O)c3c2c(O)cc(O)c3O Tox21_301526 -NCGC00255678-01 196700838 tox21-ror-cho-viability-p1 set1 4 30.6378586933 9.178022556 -0.178022556 9 4.9549173134 0.4343579267 0.2594054572 -3.73287447 1.33258217 2.46142784 0.01271412 -2.10296375 -3.89835213 0.72627506 3.51799192 1.70930792 1.47016337 -3.26417562 0.43536728 0.44007343 7.46200846 -0.03426271 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1124-04-5 70754 144212242 A A 2-Chloro-4,5-dimethylphenol Cc1cc(O)c(Cl)cc1C Tox21_301925 -NCGC00255985-01 196700839 tox21-ror-cho-viability-p1 set1 -3 61.130564862 -61.2922411169 0.4313245509 -60.860916566 4.5044702849 0.9877594644 2.7E-9 1.52685959 -1.18161889 0.33217539 -2.1859292 0.26979801 0.51972227 0.35912754 -2.47514807 1.64946805 3.01936039 2.63124345 0.42108909 -0.51276738 -8.51105048 -52.6673941 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1606-85-5 62411 144211995 Ac Ac 1,4-Bis(2-hydroxyethoxy)-2-butyne OCCOCC#CCOCCO Tox21_301678 -NCGC00255903-01 196701244 tox21-ror-cho-viability-p1 set1 4 3.71882696 2.44818546 2.22952844 3.65766637 3.03845739 -0.23052632 -1.26223019 0.39347373 -0.83228368 1.00165614 2.39682908 1.19558517 0.12633894 5.84459132 7.06514813 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56539-66-3 62118 144212432 A 3-Methoxy-3-methylbutan-1-ol CC(C)(CCO)OC Tox21_302115 -NCGC00255208-01 196701252 tox21-ror-cho-viability-p1 set1 4 7.8291205549 -5.9112187399 0 -5.9112187399 4.9549173134 0.4338418322 0.2590790751 1.35437415 -5.69524644 -0.82109658 -3.43647984 2.63042781 -0.44839102 3.63606515 0.3778305 -1.66933476 0.14589492 2.42892592 -3.62678493 -8.25934895 -3.96949452 1.45349032 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 928-97-2 5284503 144212289 A (E)-3-Hexen-1-ol CC\C=C\CCO Tox21_301972 -NCGC00254842-01 196699201 tox21-ror-cho-viability-p1 set1 4 38.5707788719 -13.388311216 -1 -14.388311216 1.4641 0.5758024996 0.1156737356 -0.44573459 0.08416681 -3.27825187 -1.98126794 -1.88250942 -0.59696906 -1.2832602 3.28120097 3.96157672 -0.18146128 -9.04222292 -1.7403809 -3.05176346 -7.3372376 -12.82359268 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23184-66-9 31677 144211257 A A Butachlor ClCC(=O)N(COCCCC)c1c(cccc1CC)CC Tox21_300940 -NCGC00254294-01 196698799 tox21-ror-cho-viability-p1 set1 4 27.3060203028 -24.494365948 -1 -25.494365948 2.4729283767 0.8334421295 0.005403212 -0.07745659 1.75230963 -0.33725368 0.80604439 -4.91969447 -2.63151219 0.17475805 -2.73781769 -3.66932958 3.17358185 -0.01362465 -4.82031051 -7.0724737 -19.57863829 -4.95680615 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-26-8 7184 144210650 A A Butylparaben Oc1ccc(cc1)C(=O)OCCCC Tox21_300332 -NCGC00254060-01 196699193 tox21-ror-cho-viability-p1 set1 4 0.2466537 6.09299612 0.87813107 0.01124805 0.46899608 0.11473731 4.39713904 -0.25246649 4.01829059 1.27890151 7.08937484 3.11392583 -1.0777947 1.63945499 2.01080639 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76-03-9 6421 144210507 Trichloroacetic acid ClC(Cl)(Cl)C(=O)O Tox21_300187 -NCGC00254155-01 196699195 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -23.272938252 -2 -25.272938252 4.9549173134 0.71830232 0.0305876131 -5.57511171 -1.37015975 0.11948168 -8.64087572 -3.28539122 -2.11549887 -1.37012992 0.20097482 -0.07850268 -1.45368776 -2.24732151 -0.11212219 -2.57072189 2.57842075 -19.39411521 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 72-55-9 3035 144210429 A A p,p'-DDE Clc1ccc(cc1)\C(=C(/Cl)Cl)c2ccc(Cl)cc2 Tox21_300109 -NCGC00254221-01 196699204 tox21-ror-cho-viability-p1 set1 4 68.5896218971 14.2156524239 -0.2156524239 14 4.5044702849 0.7498131833 0.019933981 1.24716558 0.63425195 0.79621355 -2.15230697 0.55114236 -2.79080999 1.45731751 1.30127375 -1.83097935 -3.09637702 -0.9463931 -0.99868704 2.64252451 0.89637209 11.05727869 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 132-64-9 568 144210372 A Ac Dibenzofuran c1cccc2oc3ccccc3c12 Tox21_300052 -NCGC00091468-02 196699208 tox21-ror-cho-viability-p1 set1 4 0.2950521 0.6644902 -2.40583974 2.32915394 0.18730635 4.08866335 7.77136703 2.64916559 3.18935957 -0.23271484 0.40395208 0.29276257 1.39060724 3.29004631 -0.08848134 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00254593-01 196699625 tox21-ror-cho-viability-p1 set1 4 -6.76812243 1.12973122 -0.11494548 -4.01314432 0.60569984 1.13680629 2.92285442 0.4118742 0.5355595 -4.71465451 -0.33447468 -0.09618449 0.89082312 -7.43147969 -5.45061051 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112410-23-8 91773 144211002 A A Tebufenozide CCc1ccc(cc1)C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C Tox21_300685 -NCGC00256662-01 196718992 tox21-ror-cho-viability-p1 set2 -2.4 76.9588215421 -27.107183788 -2.5 -29.607183788 4.9549173134 0.7628958419 0.0159250586 -0.67913142 -2.98469496 -0.73567519 -4.31848882 -2.20673932 -5.25282957 -4.80114533 0.71014722 0.85977423 -0.67579462 0.48365398 -4.64275898 -9.89465376 -2.00479943 -23.00598649 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 6911-51-9 23347 144212795 Bc Fns 2-Thienyl disulfide s1cccc1SSc2cccs2 Tox21_302478 -NCGC00254791-01 196719816 tox21-ror-cho-viability-p1 set3 -3 73.9582482573 -56.382996587 7 -49.382996587 4.5044702849 0.859222941 0.0016792022 7.19593622 1.26359706 6.73944811 1.46806426 16.759882 7.85400427 3.89255082 6.74408522 12.37958368 11.73656615 13.14554871 0.16039003 0.10399062 0.20378714 -40.92846799 1.3829999999E-9 3.092E-9 6.913E-9 1.5459999999E-8 3.457E-8 7.729E-8 1.728E-7 3.8649999999E-7 8.6409999999E-7 0.000001932 0.000004321 0.000009661 0.0000216 0.00004831 0.000108 83657-24-3 6436605 144211204 A A Diniconazole OC(\C(=C/c1ccc(Cl)cc1Cl)n2cncn2)C(C)(C)C Tox21_300887 -NCGC00254177-01 196720229 tox21-ror-cho-viability-p1 set3 4 2.47696941 3.72004741 5.43168985 11.35525138 -1.617207 -1.2470084 6.34949353 0.73618242 3.46005308 6.11706445 13.51053813 1.25161382 5.65475687 6.02278447 5.32854879 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-28-2 5757 144210608 A A 17beta-Estradiol Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)CC[C@@H]12)c4cc3 Tox21_300288 -NCGC00256962-01 196718586 tox21-ror-cho-viability-p1 set2 4 -7.65423955 -3.00214266 -3.99087218 -3.28221475 -1.40331984 -3.04980853 -6.18382073 -3.14868036 -7.8848203 -5.86524938 -2.72207144 -1.46793982 0.57002518 -3.90871 1.70627043 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-16-5 5365125 144213571 A Fc Bis(2-ethylhexyl) maleate O=C(\C=C/C(=O)OCC(CC)CCCC)OCC(CCCC)CC Tox21_303254 -NCGC00256740-01 196718984 tox21-ror-cho-viability-p1 set2 -2.4 54.4826732819 -28.607429936 0.5 -28.107429936 3.9294729863 0.9832227506 1.73E-8 0.50898699 0.75663106 -0.83143019 -0.8445419 -0.3668358 -0.05995728 -0.70453584 1.7821025 0.95430248 0.75210705 -0.06643413 1.38861599 1.1158413 -6.98625437 -24.67285828 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 30124-94-8 121639 144212827 A Ac Disperse Red 82 CC(=O)OCCN(CCOC(C)=O)c2ccc(/N=N/c1ccc(cc1C#N)[N+]([O-])=O)cc2 Tox21_302510 -NCGC00091532-04 196718986 tox21-ror-cho-viability-p1 set2 -2.2 31.0121236216 -40.9856678808 -0.754514457 -41.7401823378 2.1876167061 0.9711075252 3.926E-7 1.19036401 1.16344451 0.28077294 1.62339718 -2.5163634 -2.76525372 -2.24769465 -3.89612743 -1.41889201 1.4083877 -3.46078959 -2.38915033 -12.66508627 -25.81752959 -40.92174739 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00256341-01 196718996 tox21-ror-cho-viability-p1 set2 4 -0.22547682 0.95222749 -2.2575618 -3.27907739 -4.3678357 -6.46287199 1.51142665 -0.35328461 -7.43220155 -2.0394091 -1.25252984 -1.28077849 -2.65510334 -2.69052711 0.42474682 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-76-1 7257 144213156 A A 3,4-Dichloroaniline Nc1cc(Cl)c(Cl)cc1 Tox21_302839 -NCGC00256538-01 196719419 tox21-ror-cho-viability-p1 set2 4 -0.43828583 1.2238854 -0.14407918 2.6193383 -0.6684559 4.62553083 1.97801368 3.33216293 2.89826957 1.84665313 4.13901575 2.5693936 0.64771622 -0.45462071 0.109679 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 120-58-1 8439 144213263 A D Isosafrole CC=Cc1ccc2OCOc2c1 Tox21_302946 -NCGC00257162-01 196719431 tox21-ror-cho-viability-p1 set2 4 -0.71112328 0.46030151 -0.82765509 1.58477559 0.35791891 4.26376362 -0.6881643 6.07889374 -0.30415446 2.55839012 3.92242925 0.95971148 4.09470101 1.20069134 2.47892475 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-02-7 31279 144213456 Fns Diallylamine C=CCNCC=C Tox21_303139 -NCGC00254981-01 196719845 tox21-ror-cho-viability-p1 set3 4 5.8009793 8.07989841 -0.3506835 9.35772034 -0.44298407 8.84848929 0.07868408 -1.34080773 -0.19042786 -0.19081139 8.19379465 -0.19032813 -0.51941564 0.81591874 1.89212774 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-86-4 8019 144211397 A A 2-Methoxyethanol OCCOC Tox21_301080 -NCGC00254891-01 196719852 tox21-ror-cho-viability-p1 set3 4 0.8634921799 -14.638107132 -2 -16.638107132 4.9549173134 0.6664964141 0.0654035653 -3.68951378 -5.21381053 -8.35802221 -5.9972017 -2.53274845 2.46283437 2.9183517 3.73003577 -3.82345282 -25.94842261 -16.81985732 -13.13957505 -18.54819294 -9.07888557 -7.31437977 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-21-4 8039 144211306 AC Ac Biurea NC(=O)NNC(N)=O Tox21_300989 -NCGC00254672-01 196719859 tox21-ror-cho-viability-p1 set3 4 -2.0511064 1.47232972 -7.65363124 -18.3973551 0.20061764 0.07381985 -6.00635427 -7.98788193 -8.58701442 -0.52651225 1.64816487 0.15303528 1.11147769 0.58573047 0.95794769 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 618-88-2 12069 144211085 A A 5-Nitroisophthalic acid O=[N+]([O-])c1cc(cc(c1)C(=O)O)C(=O)O Tox21_300768 -NCGC00163771-03 196720253 tox21-ror-cho-viability-p1 set3 4 0.0038531558 13.507944956 -14.507944956 -1 2.9522712143 0.596089418 0.1000570245 -14.58995413 -10.65587818 -4.24265532 0.89495535 -3.5594818 -2.69639496 -2.74310134 0.5859252 -1.83676391 0.69934179 -8.07723005 2.79451703 -6.02389452 4.06770699 3.87122647 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00016327-11 196713522 tox21-ror-cho-viability-p1 set2 4 1.74583717 0.03425273 0.74557699 1.0147312 2.59900595 0.84097889 -1.32953538 0.59884993 1.66878442 -1.35221869 1.90331298 -1.11606111 -0.45892859 0.36202729 0.03139603 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82-02-0 3828 170466493 A Khellin COc3c1c(OC(C)=CC1=O)c(OC)c2occc23 Tox21_110374_1 -NCGC00262962-01 196713532 tox21-ror-cho-viability-p1 set2 4 0.2371013766 -9.3531844999 9 -0.3531844999 4.9549173134 0.8819697258 0.0007369756 8.72395912 9.68904063 9.75418829 10.59290168 7.40099322 7.91408891 7.17250187 8.55613374 -0.28171009 0.50385742 -1.71951985 -0.43268742 1.64603419 -3.62765375 2.78492493 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5919-74-4 65442 170466779 F A Glyceryl methacrylate OCC(O)COC(=O)C(=C)C Tox21_113953 -NCGC00253593-01 196713520 tox21-ror-cho-viability-p1 set2 -2.4 26.6032120037 -34.4884580159 2 -32.4884580159 1.4487170999 0.7720513084 0.013587067 7.75358991 8.93383924 6.46980906 1.98288937 1.79451889 -0.04738357 0.56292433 0.96797193 -2.50743581 -0.44896867 -2.10074696 -5.49586957 -1.31375586 -8.79653566 -23.74038168 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 30392-40-6 35330 170465239 B F Bitolterol O=C(Oc2cc(ccc2OC(=O)c1ccc(C)cc1)C(O)CNC(C)(C)C)c3ccc(C)cc3 Tox21_113730 -NCGC00091258-05 196713518 tox21-ror-cho-viability-p1 set2 -2.1 11.8832183006 -70.1299969597 -0.539702269 -70.6696992287 3.5117481694 0.9395454759 0.0000528502 0.42827846 1.07996809 -2.34874691 -2.03666768 0.51158132 -2.70305092 -0.39534087 1.78275266 0.66099366 -1.85068993 -1.76232989 -9.60261165 -11.97344151 -73.61427003 -53.71737638 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4252-78-2 20250 170466727 F 2,2',4'-Trichloroacetophenone O=C(CCl)c1ccc(Cl)cc1Cl Tox21_113461_1 -NCGC00163910-05 196713540 tox21-ror-cho-viability-p1 set2 4 0.63271142 -2.13724881 -3.12228225 -2.27749296 -1.86141255 0.82589434 -3.64793607 -3.60187202 0.64448638 -0.34366868 0.44913795 -0.39301234 0.60699855 2.21362759 1.22126057 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3383-96-8 5392 170466375 A Temephos COP(=S)(OC)Oc1ccc(cc1)Sc2ccc(cc2)OP(=S)(OC)OC Tox21_112075_1 -NCGC00254209-01 196713933 tox21-ror-cho-viability-p1 set2 -3 63.2543817084 -102.3601675193 0.5596833609 -101.8004841584 4.5044702849 0.9876052097 2.9E-9 0.14451673 -0.14092438 -0.04784965 -1.95141723 0.07848884 -1.46943741 1.5591367 -1.96808139 -0.1029733 0.40676759 3.09485282 7.81548055 -0.0674592 -9.34922267 -81.58768584 1.103E-9 2.466E-9 5.515E-9 1.233E-8 2.758E-8 6.166E-8 1.3789999999E-7 3.083E-7 6.894E-7 0.000001542 0.0000034469999999 0.000007708 0.000017239999999 0.00003854 0.00008618 180084-01-9 10483134 144210532 A A SB236057A Cl.Cc1nnc(o1)c2cc(C)c(cc2)c3ccc(cc3)C(=O)N6CCc5cc7OCC4(CCN(CC)CC4)c7cc56 Tox21_300212 -NCGC00254195-01 196713942 tox21-ror-cho-viability-p1 set2 4 61.130564862 -6.976255888 0 -6.976255888 4.9549173134 0.3065039625 0.3662692164 -1.78262064 -0.8357473 -1.35337928 -0.20770544 -0.86222512 -2.94270708 7.03481883 1.36951834 -2.03616786 -1.74548088 -0.97443416 0.0974466 1.13570176 -0.88523667 -6.23021324 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1068967-96-3 25099474 144210580 A A SAR102608 Cc1nc(ncc1C(=O)Nn3cc(C)c2cc(F)ccc23)c4ccccn4 Tox21_300260 -NCGC00255059-01 196713944 tox21-ror-cho-viability-p1 set2 4 -4.27296238 -0.98343872 -3.47244658 -0.32437839 -3.59403302 -2.554156 -0.86466181 -0.7417236 -2.08351632 -0.76089564 0.09028563 -0.42379582 4.09101867 4.66088955 -1.3068919 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 60-51-5 3082 144211478 A C Dimethoate COP(=S)(OC)SCC(=O)NC Tox21_301161 -NCGC00253987-01 196713947 tox21-ror-cho-viability-p1 set2 4 -0.60521006 -0.49060693 -2.73928553 -3.78381339 -3.04614425 -2.52179792 -7.47513822 -0.74697339 -1.73159694 -0.24902956 -0.8319297 -1.28033515 0.53996466 -3.2106825 -1.71654001 1.1689999999E-9 2.6129999999E-9 5.843E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.461E-7 3.2659999999E-7 7.3029999999E-7 0.0000016329999999 0.000003652 0.0000081649999999 0.00001826 0.000040829999999 0.00009129 112-53-8 8193 144210440 A A 1-Dodecanol CCCCCCCCCCCCO Tox21_300120 -NCGC00254228-01 196713950 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -7.924222168 0 -7.924222168 4.9549173134 0.5181970016 0.1684151591 -1.68607523 0.67956915 -0.35703386 0.34387021 -0.59818917 -0.39364164 -0.51278804 -1.09305286 0.53276376 4.90440949 -0.38324318 0.66574776 -0.30307262 0.11223364 -5.77018514 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 145742-28-5 9821217 144210525 A A CP-122721 FC(F)(F)Oc3cc(CN[C@H]1CCCN[C@H]1c2ccccc2)c(OC)cc3 Tox21_300205 -NCGC00255069-01 196714360 tox21-ror-cho-viability-p1 set2 4 0.62083327 4.20018804 1.74736258 0.94396413 0.31033666 0.66606641 1.62275993 1.93066317 1.62432769 1.42093618 1.42795128 1.97153755 1.98224827 1.98851463 4.27304994 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-73-6 8072 144211488 A Ac 2-(Ethylamino)ethanol CCNCCO Tox21_301171 -NCGC00254419-01 196714767 tox21-ror-cho-viability-p1 set2 4 -1.03004842 -0.34614671 -0.63142805 -0.28172404 -0.58109657 1.61865752 3.73418863 -1.71626202 -0.12524699 1.03608675 -1.22992493 2.94558734 1.60387988 -2.112787 2.19698551 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-55-3 5954 144210817 D Benz(a)anthracene c1c4ccccc4cc3c1ccc2ccccc23 Tox21_300499 -NCGC00254188-01 196714785 tox21-ror-cho-viability-p1 set2 4 2.04223272 0.2384348 0.53345477 -0.12216265 0.78953418 -0.14397806 1.43559358 0.50372283 0.66353133 0.29717945 0.05232094 0.65708055 1.14012862 1.97454072 2.99769856 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-86-0 7585 144210462 A A 2-Benzylideneoctanal O=CC(CCCCCC)=Cc1ccccc1 Tox21_300142 -NCGC00163919-02 196724541 tox21-ror-cho-viability-p1 set3 4 14.006149347 -15.493794556 -1 -16.493794556 2.2526478767 0.670516576 0.063329892 -7.36211757 -3.02503078 -2.89197967 -3.58791458 -0.70662076 0.07985911 1.4253479 -0.30549634 5.06223505 -4.69285811 0.83883205 -3.37716497 -13.01029413 -14.57816213 -7.85609802 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00356985-01 196724543 tox21-ror-cho-viability-p1 set3 4 -5.93341549 1.0598312 2.66931648 -0.84745979 -2.01034209 -1.7623611 -2.07507394 -4.135343 0.20742636 1.37716282 -5.68375607 -5.63373363 -7.28325046 1.72472006 2.67156441 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 67762-27-0 15076 251919695 A Alcohols, C16-18 CCCCCCCCCCCCCCCCCO Tox21_303960 -NCGC00356974-01 196724550 tox21-ror-cho-viability-p1 set3 4 76.9588215421 13.7329061359 -0.7329061359 13 4.9549173134 0.4375263249 0.2374952591 -3.99882074 -2.62818401 -1.7963133 1.76853763 -1.02914711 5.50798486 0.98523323 -1.26712365 1.50451837 -4.77742178 4.17754179 0.33049182 -4.3836102 -2.70164433 10.03527676 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 464-48-2 444294 251919659 A (1S)-(-)-Camphor CC2(C)[C@@H]1CC(=O)[C@@]2(C)CC1 Tox21_303988 -NCGC00356964-01 196724560 tox21-ror-cho-viability-p1 set3 4 48.5577336745 17.3348999799 -7.3348999799 10 0.9999999999 0.4137194868 0.2589913898 -17.36241665 -6.05894702 -10.99366868 -2.73820108 -4.53171799 -5.92765731 -4.6425423 -9.85532102 -11.13132238 -1.98823696 0.68343617 -7.581203 -6.92428325 2.38692202 5.57490099 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 506-68-3 10476 251919646 Cyanogen bromide BrC#N Tox21_303779 -NCGC00090789-02 196724956 tox21-ror-cho-viability-p1 set3 4 -6.25183251 1.54093076 3.59339715 -3.2021332 4.82126282 -1.72875843 4.69920435 -4.78979387 0.31626738 3.54453871 6.10287257 2.13694055 -6.81699647 5.8185689 -0.90763671 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00357123-01 196724958 tox21-ror-cho-viability-p1 set3 4 1.79034808 4.00894249 -0.1193708 4.64086365 -4.73564938 -6.01345074 0.23146022 1.70286665 -3.72261514 2.25070985 1.25920411 -0.27017344 1.46387638 0.37085161 4.45068525 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 59572-10-0 101082 251919758 A 1,3,6,8-Pyrenetetrasulfonic acid, tetrasodium salt [Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c4cc(c1ccc2c(cc(c3ccc4c1c23)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O Tox21_303858 -NCGC00357248-01 196724959 tox21-ror-cho-viability-p1 set3 4 0.0015355304 26.1889172959 -26.6889172959 -0.5 0.7999999999 0.6698796436 0.0530709027 -18.90743108 -4.85152823 -7.95105399 -6.35890979 -3.63439511 -1.12509899 -5.84022535 6.2404187 -1.75614185 -0.44846595 -0.1567422 1.79725509 -3.28568269 -2.01294826 1.0252824 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 874-90-8 70129 251919964 A 4-Anisonitrile COc1ccc(C#N)cc1 Tox21_304041 -NCGC00260318-01 196724966 tox21-ror-cho-viability-p1 set3 4 0.000228015 6.708345484 -6.208345484 0.5 4.9549173134 0.3549472562 0.3171509518 -4.75809111 -7.25695457 -0.63418987 4.14996224 -2.50443243 -0.58016948 5.36340424 1.09218968 -6.84888846 -1.65316644 0.82383501 -1.7497922 2.11357619 3.53382685 2.65488342 5.71E-11 1.2769999999E-10 2.855E-10 6.384E-10 1.427E-9 3.1919999999E-9 7.137E-9 1.596E-8 3.569E-8 7.9799999999E-8 1.7839999999E-7 3.99E-7 8.9219999999E-7 0.000001995 0.000004461 6923-52-0 23354 144209969 A Acetic acid, antimony(3+) salt [SbH3+3].O=C([O-])C.[O-]C(C)=O.[O-]C(C)=O Tox21_202771 -NCGC00016715-04 196724979 tox21-ror-cho-viability-p1 set3 4 0.084126743 6.49761978 0.00238022 6.5 4.9549173134 0.4237454996 0.2668932771 2.70396409 -1.66468315 -0.88454075 -0.96836051 0.6764417 1.81178879 0.9587241 10.45697987 8.73248345 11.40842093 6.57215182 9.2043605 -0.93687066 -0.29986153 1.61784127 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15421-84-8 5531 170465770 A Trapidil CCN(CC)c1cc(C)nc2ncnn12 Tox21_110578_1 -NCGC00016892-04 196725794 tox21-ror-cho-viability-p1 set3 4 0.0298492948 10.0449868359 -2.5449868359 7.5 2.4063783767 0.4692456672 0.2233228172 -1.43076751 0.11439234 -7.53748903 -1.29305518 0.72803754 0.77651647 9.04646431 9.71902324 10.51108634 11.9833927 17.33322188 -0.78157114 1.81744596 1.29558505 0.28796803 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60166-93-0 65492 170464646 A Iopamidol O=C(Nc1c(I)c(c(I)c(c1I)C(=O)NC(CO)CO)C(=O)NC(CO)CO)[C@H](C)O Tox21_110668_1 -NCGC00254420-01 196698855 tox21-ror-cho-viability-p1 set1 4 0.44403576 2.49948834 1.81496266 1.71583768 1.55620315 0.94685966 -1.62315733 1.42169688 1.83546601 -0.79694821 0.23989604 -1.72692272 2.01231746 2.59606673 2.82082013 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4904-61-4 638081 144210719 AC Fns 1,5,9-Cyclododecatriene C1C=CCCC=CCCC=CC1 Tox21_300401 -NCGC00259582-01 196722063 tox21-ror-cho-viability-p1 set3 4 -4.23987387 -5.95669745 -5.00556627 4.57181953 -3.56509505 -3.30107926 -2.791631 -5.3793601 -5.56460121 -3.77282839 -5.62877218 -4.01965476 -3.39275005 2.20828663 -2.52458339 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004124 0.00009223 2050-47-7 16305 144209231 A A 4,4'-Dibromodiphenyl ether Brc2ccc(Oc1ccc(Br)cc1)cc2 Tox21_202033 -NCGC00259247-01 196722074 tox21-ror-cho-viability-p1 set3 4 26.7792656642 7.9541082 -2.4541082 5.5 4.9549173134 0.4468730976 0.2287568036 -5.3784235 0.08647029 -0.48028547 6.87822943 -3.62872678 -3.94904301 -3.25941359 -4.52953737 -4.09319341 -2.24626442 -3.15077389 -4.14269026 -2.42417965 5.79256525 4.83916973 1.1609999999E-9 2.595E-9 5.804E-9 1.298E-8 2.9019999999E-8 6.489E-8 1.451E-7 3.244E-7 7.255E-7 0.000001622 0.0000036269999999 0.000008111 0.00001814 0.000040549999999 0.00009068 4083-64-1 77703 144208896 D 4-Methylbenzenesulfonyl isocyanate Cc1ccc(cc1)S(=O)(=O)/N=C=O Tox21_201698 -NCGC00090874-04 196721667 tox21-ror-cho-viability-p1 set3 -1.2 6.9427496703 -31.6214956871 -3 -34.6214956871 1.9673362061 0.9689762875 5.88E-7 -6.41520592 -3.34014609 -0.67187113 2.27756682 -2.94143433 -3.97817295 -4.73436003 -5.07425597 -5.10293558 -1.70558796 -9.83830259 -22.76282555 -30.89412176 -32.43388265 -34.31710148 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00090701-06 196721671 tox21-ror-cho-viability-p1 set3 4 -7.0332139 -4.71888328 -3.70152146 3.50694129 -5.00000933 -6.27298156 -6.46237112 -3.63650684 -8.19117761 -2.98285779 -7.14070393 -7.58462182 -4.16063003 -3.94306224 -3.76376057 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00263584-01 196722462 tox21-ror-cho-viability-p1 set3 4 -2.36284601 -7.50018568 -1.39582728 -1.24026529 -6.99164804 -1.68930651 -0.18438629 2.05795486 -4.23750467 -5.20410467 8.02935596 4.04203849 2.22610524 -9.01797586 2.18947175 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 150915-40-5 60946 170465092 A Tirofiban hydrochloride monohydrate Cl.O.O=C(O)[C@@H](NS(=O)(=O)CCCC)Cc1ccc(cc1)OCCCCC2CCNCC2 Tox21_112980_1 -NCGC00182851-02 196722463 tox21-ror-cho-viability-p1 set3 4 6.72212516 1.4714208 -0.45869552 1.34119756 3.56363636 0.22543972 1.33012746 0.24840745 4.40862369 5.15665768 4.57951194 3.7160018 2.66521564 -2.66151803 18.40268345 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1247-42-3 5284587 170465165 F Meprednisone OCC(=O)[C@@]3(O)[C@@H](C)C[C@H]2[C@@H]4CCC1=CC(=O)C=C[C@]1(C)[C@H]4C(=O)C[C@@]23C Tox21_113612_1 -NCGC00015971-05 196722467 tox21-ror-cho-viability-p1 set3 4 7.72934043 1.85268655 11.09211617 -2.41988432 -1.66831424 -3.68960474 11.17678452 13.21494902 7.47094202 6.71643888 -0.7803711 -0.43991366 3.09520632 10.90343028 26.88125375 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71-27-2 22475 170464625 F Succinylcholine chloride [Cl-].[Cl-].C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C Tox21_111268_1 -NCGC00025104-09 196722470 tox21-ror-cho-viability-p1 set3 4 -46.5796569 -2.45984467 8.15532627 1.33841774 -2.51959421 -2.47563582 -0.36326699 -1.88484089 5.77715279 4.23723976 3.15378664 2.65727819 -2.04246322 -2.37691789 8.27603661 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 74772-77-3 2750 170466553 A Ciglitizone CC1(CCCCC1)COc3ccc(CC2SC(=O)NC2=O)cc3 Tox21_112120_1 -NCGC00160651-02 196722483 tox21-ror-cho-viability-p1 set3 4 33.4914596268 13.322177128 -2.322177128 11 4.9549173134 0.5702075655 0.1202620862 -2.77709155 -2.40685618 -2.35525494 -4.27559775 -0.63508743 0.45046552 -0.76097344 -0.71246727 2.76737513 -1.34999084 -1.26365131 -5.10045714 -6.51848094 -6.11397474 10.12531106 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3563-14-2 60582 170466135 A Sulfasuccinamide O=S(N)(=O)c1ccc(NC(=O)CCC(=O)O)cc1 Tox21_111958_1 -NCGC00094810-04 196722876 tox21-ror-cho-viability-p1 set3 4 42.1632496022 19.052684964 -1.052684964 18 0.7999999999 0.3427855505 0.3273356225 1.12506677 -0.06507502 2.44691029 0.79504092 -14.62723747 -1.6806437 -2.62467338 -0.08791778 3.73040835 0.93374371 3.40358463 1.44458447 1.1028953 2.634197 11.80142983 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2610-86-8 23706212 170464790 A Warfarin sodium [K+].CC(=O)CC(C1=C([O-])c2ccccc2OC1=O)c3ccccc3 Tox21_111637_1 -NCGC00168266-02 196722879 tox21-ror-cho-viability-p1 set3 2.2 37.6466002419 54.1121242502 -0.0614634519 54.0506607983 2.7867712143 0.9376305203 0.000027814 1.92613775 1.31450695 4.00399981 -8.96792628 -0.43272601 0.45188095 0.6427025 -9.45867962 1.59017112 3.40366514 5.00946125 1.9006202 11.06168601 36.25751742 56.32036222 1.4009999999E-9 3.133E-9 7.005E-9 1.566E-8 3.502E-8 7.831E-8 1.751E-7 3.916E-7 8.756E-7 0.0000019579999999 0.000004378 0.0000097889999999 0.00002189 0.00004895 0.0001094 64057-70-1 71285 144206442 A A 1-(1,3-Benzodioxol-5-yl)-N-methylpropan-2-amine hydrochloride Cl.CC(NC)Cc1ccc2OCOc2c1 Tox21_112889 -NCGC00091080-03 196722883 tox21-ror-cho-viability-p1 set3 4 20.3951420839 -22.144108552 2.5 -19.644108552 4.9549173134 0.7811905335 0.0156363944 -1.24911951 -0.99123299 -1.58062982 -0.34181862 5.62184155 4.68932458 -0.17235305 6.08491594 4.34755599 1.87828366 0.96958242 7.70708534 -4.23508906 -18.87009046 -1.32768766 1.121E-9 2.506E-9 5.6039999999E-9 1.2529999999E-8 2.802E-8 6.265E-8 1.401E-7 3.133E-7 7.005E-7 0.000001566 0.0000035019999999 0.000007831 0.00001751 0.00003916 0.00008756 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00258596-01 196715689 tox21-ror-cho-viability-p1 set2 4 2.30324656 -0.5989045 -1.02956873 2.85646074 1.50694725 -0.87559959 -0.33327798 2.39566376 -3.29525059 0.45637711 2.20689527 2.00284972 -1.06261667 1.12964389 1.61513473 1.197E-9 2.676E-9 5.9839999999E-9 1.338E-8 2.992E-8 6.69E-8 1.496E-7 3.345E-7 7.48E-7 0.000001673 0.00000374 0.000008363 0.000018699999999 0.000041819999999 0.0000935 15356-60-2 165675 144208241 A A (1S,2R,5S)-(+)-Menthol CC(C)[C@H]1CC[C@H](C)C[C@@H]1O Tox21_201043 -NCGC00257955-01 196715698 tox21-ror-cho-viability-p1 set2 4 -0.02690963 0.00441482 -0.66424413 0.51321633 -0.31180058 4.94134071 0.11803742 -2.61065459 0.4067519 2.69461087 -7.48291756 4.28259811 2.66387412 2.59129349 3.85156993 1.175E-9 2.626E-9 5.873E-9 1.3129999999E-8 2.936E-8 6.566E-8 1.468E-7 3.2829999999E-7 7.341E-7 0.000001642 0.0000036709999999 0.000008208 0.00001835 0.00004104 0.00009176 76-13-1 6428 144207599 1,1,2-Trichloro-1,2,2-trifluoroethane ClC(F)(F)C(Cl)(Cl)F Tox21_200401 -NCGC00091011-05 196715283 tox21-ror-cho-viability-p1 set2 2.1 54.4826732819 143.579572647 -0.0133150595 143.5662575875 2.5334283767 0.9822765286 2.36E-8 -0.25660643 -3.38095523 -3.99743712 -2.24179074 -2.22746852 -3.20855902 0.21821366 -0.00905072 -2.62175321 3.25172452 5.15877068 10.86270864 13.36733868 41.96176077 115.59279999 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00016000-13 196715676 tox21-ror-cho-viability-p1 set2 -2.1 70.1970324498 -110.907871418 -4.238908198 -115.146779616 3.6272481694 0.8856312888 0.0006237068 0.13630537 1.89383056 5.11071857 5.15667318 4.43446064 1.69819707 -1.49776825 -9.74025314 -12.67272694 -18.97512137 -15.6458943 -7.71030634 -9.89832235 -19.75314683 -87.2324088 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00257908-01 196716107 tox21-ror-cho-viability-p1 set2 -2.4 60.8819825247 -29.671452152 -1.5 -31.171452152 3.5117481694 0.8189621067 0.0052189612 -1.39572498 -5.17754603 -2.54818842 1.02575156 -0.71700309 2.4464554 -3.14410692 0.38125163 -6.62246935 1.53766282 2.02584667 -6.36004739 1.25655087 -8.28100295 -25.55954346 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.571E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008214 0.00001837 0.00004107 0.00009184 74-31-7 6319 144207552 A N,N'-Diphenyl-p-phenylenediamine c1ccccc1Nc2ccc(cc2)Nc3ccccc3 Tox21_200354 -NCGC00258524-01 196716108 tox21-ror-cho-viability-p1 set2 4 2.01051716 -0.50350017 -5.33728507 -4.3470959 -2.12332737 -5.56013753 -1.13065044 -2.48900491 -1.04918826 -5.76099404 2.92646768 -5.36770643 -2.85976812 2.42464365 -3.7793259 1.204E-9 2.692E-9 6.02E-9 1.346E-8 3.01E-8 6.73E-8 1.5049999999E-7 3.365E-7 7.5239999999E-7 0.000001683 0.0000037619999999 0.000008413 0.000018809999999 0.00004206 0.00009406 123-91-1 31275 144208169 1,4-Dioxane C1COCCO1 Tox21_200971 -NCGC00159417-06 196716116 tox21-ror-cho-viability-p1 set2 -2.1 49.6956931991 -107.9620809037 -1.007516907 -108.9695978107 2.0478617061 0.9846822888 1.01E-8 -0.01877406 1.58414118 -0.24633452 1.21942248 0.56107292 -1.08195555 -8.66423059 -0.34408846 -3.76640106 4.00123715 -4.83065716 -1.41464962 -14.46345919 -45.7833078 -86.07393192 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00258660-01 196716507 tox21-ror-cho-viability-p1 set2 4 3.12864973 2.97966025 3.87520315 4.03292562 0.82102378 4.08640051 1.62168447 8.05838512 4.98273892 1.77150651 3.00291411 4.77326757 0.73092515 3.19720798 5.98372097 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-10-1 7909 144208306 FNS 4-Methyl-2-pentanone CC(C)CC(C)=O Tox21_201108 -NCGC00091163-03 196716515 tox21-ror-cho-viability-p1 set2 4 0.32633849 0.75606881 0.87430139 -0.11742428 -2.1229727 0.33642645 7.05821985 0.43813977 2.11216654 -8.9287085 -0.05954487 -0.70207224 1.00343129 0.23546815 7.60091205 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00257597-01 196716517 tox21-ror-cho-viability-p1 set2 4 -4.47197286 -4.89256624 -6.01260963 -1.01836491 -3.93458599 -0.65076706 1.89966332 -3.68014702 -2.76131107 1.03313347 -3.45784483 -3.78601602 0.78726967 -4.17324985 -1.13904774 1.2869999999E-9 2.8769999999E-9 6.433E-9 1.439E-8 3.2169999999E-8 7.193E-8 1.6079999999E-7 3.5959999999E-7 8.042E-7 0.000001798 0.000004021 0.0000089909999999 0.0000201 0.00004495 0.00010049999999 1918-02-1 15965 144207241 A A Picloram Nc1c(Cl)c(nc(Cl)c1Cl)C(=O)O Tox21_200043 -NCGC00164344-04 196716933 tox21-ror-cho-viability-p1 set2 4 0.48272734 1.0431847 2.08761182 8.89736522 4.28550971 8.51384312 8.14719233 7.10043657 6.51506763 3.29727227 6.98411861 7.18043804 0.39348549 1.17168038 0.75186085 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87-90-1 6909 170465634 F Symclosene ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O Tox21_112103_1 -NCGC00262959-01 196716935 tox21-ror-cho-viability-p1 set2 4 11.8832183006 -12.5210381719 -1 -13.5210381719 1.372261 0.6310125999 0.0763471235 0.64393217 0.83734313 0.48788825 -0.58485536 -0.28807634 -8.28691452 -4.63258376 0.66814746 1.84231518 -0.42794339 0.64489077 -5.46759889 -6.84442239 -7.87875001 -12.51753181 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104653-34-1 91771 170465892 F F Difethialone Brc1ccc(cc1)c2ccc(cc2)C4Cc3ccccc3C(C4)C5=C(O)c6ccccc6SC5=O Tox21_113950 -NCGC00254115-01 196714794 tox21-ror-cho-viability-p1 set2 4 -0.48210599 0.40199033 0.68361931 0.12110013 -0.69511896 0.95908169 1.79109277 -0.68423672 0.52750411 0.0841343 1.35438863 -0.24173121 3.68698778 -0.41615587 4.68717005 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-59-1 6544 144210370 A A Isophorone O=C1C=C(C)CC(C)(C)C1 Tox21_300050 -NCGC00255064-01 196714388 tox21-ror-cho-viability-p1 set2 4 0.73156962 0.75453068 -0.67690014 -0.37885708 -0.58989958 0.40726896 1.59819491 0.30237913 0.36069485 -0.41217067 0.19338249 5.47506479 3.9426506 2.36493429 1.02363032 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66441-23-4 47938 144211483 A B Fenoxaprop-ethyl O=C(OCC)C(C)Oc1ccc(cc1)Oc2nc3ccc(Cl)cc3o2 Tox21_301166 -NCGC00254365-01 196714802 tox21-ror-cho-viability-p1 set2 4 7.6958821542 -9.389798456 0 -9.389798456 3.2474983358 0.9485892403 0.0000243407 0.48975354 1.23375982 -0.21019349 -0.38205413 1.14928325 -1.19405359 -0.91722954 0.53646733 -0.32398907 0.83723529 -0.43320874 -5.77861985 -7.88764182 -9.90816538 0.01719308 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-66-1 3121 144210920 A A Valproic acid CCCC(CCC)C(=O)O Tox21_300603 -NCGC00254410-01 196714803 tox21-ror-cho-viability-p1 set2 4 3.12238172 2.76335126 3.16384827 -0.47417622 -0.87458738 1.3978283 2.14506963 0.83449591 -0.75250155 -0.88454891 -0.33806604 4.8883785 5.67320399 1.28338366 0.60491451 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80844-07-1 71245 144210696 A A Etofenprox CCOc1ccc(cc1)C(C)(C)COCc3cc(Oc2ccccc2)ccc3 Tox21_300378 -NCGC00090698-04 196714807 tox21-ror-cho-viability-p1 set2 4 -1.48107918 0.61211948 -2.52939232 -1.12174044 -1.05384488 -2.9795456 -4.98601796 -5.60898861 -0.5730014 -4.70724928 -3.82269518 -1.2281215 -9.05340059 -9.17750455 -0.59434378 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00254797-01 196714808 tox21-ror-cho-viability-p1 set2 4 0.0220315 1.22321797 0.14893022 0.84153899 -0.21192832 1.44061412 -0.99056044 -0.8390842 -0.01331265 0.25339011 0.37375451 2.54306971 3.66334335 3.18899262 1.94387213 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1610-18-0 4928 144211210 A A Prometon COc1nc(NC(C)C)nc(NC(C)C)n1 Tox21_300893 -NCGC00254610-01 196714814 tox21-ror-cho-viability-p1 set2 4 0.37263114 -1.83485593 -4.72425594 0.94097425 -2.47586312 -0.64420456 -6.53832764 -5.19595944 -2.14861516 -1.23789495 -1.55758677 -2.64922069 -3.02012094 -1.65944666 -4.23216525 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1014-70-6 13905 144211019 A A Simetryn CSc1nc(NCC)nc(NCC)n1 Tox21_300702 -NCGC00091468-02 196714816 tox21-ror-cho-viability-p1 set2 4 2.52043666 -0.54814963 1.3007433 0.02525218 1.71704446 2.74948549 -0.25297181 0.13843414 3.02504352 0.20004881 -1.35050169 1.03296986 2.42388838 2.72092892 5.15157058 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00254935-01 196715214 tox21-ror-cho-viability-p1 set2 -3 61.130564862 -41.529020568 0.5 -41.029020568 3.2474983358 0.9471240577 0.0000114486 -0.13620486 0.33190573 2.30226581 1.02762312 0.32198851 -1.44111444 1.53723119 -2.74197866 -3.29409809 4.13389886 3.02173777 2.18025773 -1.38326988 -8.7654173 -32.10751714 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18263-25-7 82145 144211350 B 2-Bromohexadecanoic acid O=C(O)C(Br)CCCCCCCCCCCCCC Tox21_301033 -NCGC00254062-01 196715227 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -15.744078184 2 -13.744078184 4.9549173134 0.8291917805 0.0041201532 1.24235366 1.78358031 1.353103 2.40632367 2.73739486 0.20849787 1.26489542 -1.0520465 3.99106135 4.04757148 1.12718292 0.35665762 4.20113963 1.32967639 -11.03673182 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-71-8 7453 144210406 A A 4-(Butan-2-yl)phenol Oc1ccc(cc1)C(C)CC Tox21_300086 -NCGC00255590-01 196710242 tox21-ror-cho-viability-p1 set2 4 43.2771256911 7.8723425359 -0.8723425359 7 1.55794881 0.4533894805 0.2252789561 2.58111359 -4.15005865 -1.87035009 0.17751321 -4.89361878 -0.4203343 1.23152437 -0.05265952 -2.00341076 0.01188057 -1.98742448 2.05977899 -0.29546272 2.64711139 5.56091477 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16893-85-9 28127 144212628 Sodium hexafluorosilicate [Na+].[Na+].F[Si-2](F)(F)(F)(F)F Tox21_302311 -NCGC00256129-01 196709836 tox21-ror-cho-viability-p1 set2 4 -1.68126005 0.11278588 0.83170815 2.90959134 5.16727539 3.52375896 0.17226337 2.37447463 1.77656988 5.47152541 1.93315221 0.26939393 -0.11276631 2.63338996 2.67953591 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2917-73-9 18016 144211587 A A Dibutyl nonanedioate O=C(CCCCCCCC(=O)OCCCC)OCCCC Tox21_301270 -NCGC00256217-01 196709846 tox21-ror-cho-viability-p1 set2 4 6.01656143 1.92341149 3.27015908 0.85481679 3.45652244 4.1199247 0.86250861 0.17994196 1.31491506 2.20887581 0.87157733 0.16627651 0.27429847 1.54083909 2.98631814 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6375-27-5 80777 144212530 A C N-(2,5-Dimethoxyphenyl)-3-oxobutanamide COc1ccc(cc1NC(=O)CC(C)=O)OC Tox21_302213 -NCGC00256411-01 196726639 tox21-ror-cho-viability-p1 set3 -2.4 54.4826732819 -37.728048168 -0.5 -38.228048168 1.8616924601 0.9441994859 0.0000153543 -0.06049619 -0.05140399 -1.30273047 -0.23870978 1.22297982 -0.81780371 -2.04670467 2.82673466 -0.90405901 -2.04917384 -0.5645745 -6.37767225 -4.23472801 -12.60239165 -28.94004014 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 860-22-0 5284351 144213049 C Fns C.I. Acid Blue 74 [Na+].[Na+].[O-]S(=O)(=O)c1cc2C(=O)C(\Nc2cc1)=C4/Nc3ccc(cc3C4=O)S([O-])(=O)=O Tox21_302732 -NCGC00257275-01 196726621 tox21-ror-cho-viability-p1 set3 4 1.77761295 -0.57064679 -0.80015891 1.67625353 1.03611309 -12.93347785 1.32665226 -2.73015818 0 -2.2717504 0 -0.93682887 -1.41435487 0.2540832 -5.80534444 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 128-37-0 31404 144213719 A A Butylated hydroxytoluene CC(C)(C)c1cc(C)cc(c1O)C(C)(C)C Tox21_303408 -NCGC00256501-01 196726626 tox21-ror-cho-viability-p1 set3 4 4.16797537 3.86337366 -0.6584567 1.17640773 2.5202549 3.19687595 2.35432096 3.08064482 2.67656108 -1.61086221 1.8442893 -2.15278675 1.4360775 0.79244536 0.42483761 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 609-20-1 11860 144213233 A A 2,6-Dichloro-1,4-benzenediamine Clc1cc(N)cc(Cl)c1N Tox21_302916 -NCGC00163771-03 196726628 tox21-ror-cho-viability-p1 set3 4 2.01862795 -4.80159333 0.02199496 0.5321008 0.66629718 0.9029969 -0.68309983 2.74641438 1.43316048 2.58174627 4.43901952 1.47911078 2.96451918 2.0766975 1.59171342 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.593E-8 1.474E-7 3.297E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008241 0.000018429999999 0.00004121 0.00009214 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00256676-01 196726644 tox21-ror-cho-viability-p1 set3 4 -5.75428901 -3.88187294 -2.42469207 -4.7485063 -4.26177317 -5.97728302 1.86410774 -4.39505809 0 -1.18278496 0 -6.88651336 2.05997521 -6.16629198 -6.22520797 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5205-11-8 21265 144213022 A A 3-Methyl-2-butenyl benzoate C/C(C)=C\COC(=O)c1ccccc1 Tox21_302705 -NCGC00256803-01 196727041 tox21-ror-cho-viability-p1 set3 4 5.35471564 0.27826049 3.86386891 5.276748 2.74133807 3.59388993 1.73545361 1.28263913 2.98807297 5.97544273 1.10283139 0.80809652 5.35943093 0.31789958 2.91791067 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 607-88-5 69091 144212933 A A Salicylic acid p-tolyl ester Oc2ccccc2C(=O)Oc1ccc(C)cc1 Tox21_302616 -NCGC00256827-01 196727046 tox21-ror-cho-viability-p1 set3 4 -3.27128733 -4.98169625 -4.23787116 -3.05220501 -0.51484483 -6.01389367 -5.61977945 -0.50754003 -0.91357949 -3.74106717 -2.86171953 0.42539865 2.06225258 -0.4162455 2.60858111 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 540-07-8 10886 144213015 A Fc Pentyl hexanoate O=C(CCCCC)OCCCCC Tox21_302698 -NCGC00255114-01 196700519 tox21-ror-cho-viability-p1 set1 4 1.2197151236 14.062260804 -11.562260804 2.5 0.3 0.7164116796 0.0316056042 -12.96855067 -8.26809904 -9.73562693 -5.70868343 -7.19613036 -5.74138587 -7.30918935 -7.93698944 -7.57910355 -3.82787178 -0.31234575 -1.90026117 -4.45688846 -2.40862773 1.5727153 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-10-3 444539 144212454 A A E-Cinnamic acid O=C(O)/C=C/c1ccccc1 Tox21_302137 -NCGC00255198-01 196700100 tox21-ror-cho-viability-p1 set1 4 -5.70873678 -3.28686885 1.40521057 -4.98411158 -7.39154049 0.28516658 -9.51104621 -9.4027114 -1.52309019 -7.91917683 0.15446782 -1.70078752 -1.69607751 -8.11651827 0.57170907 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7212-44-4 8888 144211699 Z Nerolidol C/C(C)=C\CCC(C)=CCCC(C)(O)C=C Tox21_301382 -NCGC00255490-01 196700112 tox21-ror-cho-viability-p1 set1 4 -1.51890633 -8.07516111 -4.19500838 1.91479289 -1.50343544 1.90814642 -2.7135348 -3.61080821 -1.96879792 -3.67768075 -9.76967085 -3.54942085 -7.45297597 -8.94951299 -5.5092163 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2050-46-6 74904 144212412 A D 1,2-Diethoxybenzene CCOc1ccccc1OCC Tox21_302095 -NCGC00256038-01 196700123 tox21-ror-cho-viability-p1 set1 4 0.84818325 0.59476615 0.67618693 0.02216701 1.3882081 -3.50276761 -2.94575044 -0.27318148 1.77904395 0.02414713 1.59734439 -0.18485969 0.85079271 5.37901961 -0.15360392 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 599-61-1 11741 144212054 A A 3,3'-Sulphonyldianiline Nc1cc(ccc1)S(=O)(=O)c2cc(N)ccc2 Tox21_301737 -NCGC00256100-01 196700517 tox21-ror-cho-viability-p1 set1 4 -15.77043584 1.70361804 1.52593038 -1.7045174 -3.32350074 -0.16444722 -2.80847146 -7.87501276 -14.6234486 -10.58337128 -1.05230517 -6.34294867 -10.10845353 -11.25461663 -3.26198774 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2358-84-1 16891 144212051 A A Di(ethylene glycol) dimethacrylate O=C(OCCOCCOC(=O)C(=C)C)C(=C)C Tox21_301734 -NCGC00255590-01 196700527 tox21-ror-cho-viability-p1 set1 4 2.02138996 -1.38780883 0.7383808 -0.9826983 1.95733216 -0.0082558 1.88410058 -1.39822024 -0.17686329 -1.15233893 0.82139423 0.33105915 2.31939613 4.9366528 3.16452194 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16893-85-9 28127 144212628 Sodium hexafluorosilicate [Na+].[Na+].F[Si-2](F)(F)(F)(F)F Tox21_302311 -NCGC00258936-01 196722090 tox21-ror-cho-viability-p1 set3 1.1 1.22591969 76.2340048318 -1.9920909599 74.2419138719 2.2526478767 0.9821443572 9.76E-8 -6.62525969 1.24069272 -3.2169185 7.83819673 -2.14099731 -3.59298441 -3.88443197 -1.55210625 11.22184066 55.19474343 72.6713917 74.21032695 68.16105385 72.54602099 58.7382116 1.185E-9 2.651E-9 5.927E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3129999999E-7 7.409E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009261 13292-46-1 5458213 144208583 A A Rifampicin CN1CCN(CC1)/N=C/c3c2NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)C=CO[C@@]5(C)Oc4c(C)c(O)c(c2O)c(c3O)c4C5=O Tox21_201385 -NCGC00259914-01 196723725 tox21-ror-cho-viability-p1 set3 -3 68.6593799697 -47.884064777 3.5 -44.384064777 4.9549173134 0.8693128722 0.0011860632 -1.05761591 7.35256734 2.01643398 9.74573429 3.59565087 7.95255044 1.39002207 2.39973295 1.00772509 -4.22597817 7.05233304 -0.51696863 4.37530532 3.72985912 -35.91742245 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.000041259999999 0.000092249999999 115-29-7 3224 144209563 Endosulfan ClC2=C(Cl)C3(Cl)C1COS(=O)OCC1C2(Cl)C3(Cl)Cl Tox21_202365 -NCGC00357008-01 196724122 tox21-ror-cho-viability-p1 set3 4 -1.30998701 1.26948317 -7.33511409 1.46217541 7.3734677 -5.93089873 3.55172965 2.17347272 -2.15787401 -7.06199018 2.83615875 1.37229527 -5.45775709 -3.19809439 1.33753959 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15165-67-0 119435 251919725 A Dichlorprop-P Clc1cc(Cl)ccc1O[C@H](C)C(=O)O Tox21_303875 -NCGC00260625-01 196724133 tox21-ror-cho-viability-p1 set3 4 0.0943917582 7.474522528 -6.974522528 0.5 2.1876167061 0.6452662861 0.0673981863 -5.30627645 -3.27893515 -12.89543544 -6.60161058 -6.67855484 -8.2444283 -1.73854788 -4.13537526 3.21593796 1.91651834 1.32026132 0.05514907 -3.66225902 0.59491979 1.37818557 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49521 144210278 M M NTP Mix101 ER1 10-EQC Tox21_203080 -NCGC00091468-02 196722083 tox21-ror-cho-viability-p1 set3 4 -6.56151227 -1.46398782 -1.17032479 -3.67315324 -2.75738217 -1.10334056 -2.70657542 -2.68667675 -1.65760649 -3.04555562 -3.44005532 -4.63104629 -1.91563852 -0.74385045 -4.11404934 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00259931-01 196722085 tox21-ror-cho-viability-p1 set3 4 -4.85531051 1.37870296 -0.73572564 -9.38484738 -3.34560828 -2.84319968 -4.83739611 -3.37782565 -4.6127993 -2.45135114 -3.79216618 -3.92806392 -5.43878659 3.44235728 0.66619998 1.231E-9 2.752E-9 6.153E-9 1.3759999999E-8 3.076E-8 6.879E-8 1.538E-7 3.4389999999E-7 7.691E-7 0.0000017199999999 0.000003845 0.000008598 0.00001923 0.00004299 0.000096129999999 107-92-6 264 144209580 A A Butanoic acid CCCC(=O)O Tox21_202382 -NCGC00164449-04 196722088 tox21-ror-cho-viability-p1 set3 4 -13.2044325 -10.91495592 -2.69207223 -5.26058231 -8.0252298 -11.54391917 -14.28261429 -12.49953145 -6.42045421 -2.6068745 -8.30225706 -9.92983987 -10.65517227 -5.08374201 -9.9451365 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00178500-07 196722488 tox21-ror-cho-viability-p1 set3 4 33.4914596268 12.5888835439 -2.0888835439 10.5 4.9549173134 0.4087809534 0.264883175 -1.59965999 -2.61187168 1.77826395 -0.58375679 -0.72575852 -0.68390267 1.86240461 -0.70583735 -3.26876641 -11.32406962 -3.9435495 1.25155089 -2.9207235 -2.02968281 8.49020159 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 18883-66-4 29327 170464827 F Streptozotocin O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)N(C)N=O Tox21_110585_1 -NCGC00015092-10 196722491 tox21-ror-cho-viability-p1 set3 4 -4.74888672 -3.11245337 0.81684092 -5.06678412 18.68803829 2.46720987 10.14972411 -7.89959926 -7.64627934 9.41629081 -13.63958574 -13.70964094 10.97415889 -11.26555611 7.11206084 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60-32-2 564 170465057 F Aminocaproic acid NCCCCCC(=O)O Tox21_110081_1 -NCGC00015226-12 196722904 tox21-ror-cho-viability-p1 set3 4 33.4914596268 -20.950767084 0 -20.950767084 4.9549173134 0.7132945717 0.0325926288 1.76856443 0.98119882 -1.93880112 1.14147449 5.30365329 3.66632912 -0.47454424 -3.84794701 -0.41038539 -1.91390921 1.81597455 -2.52146871 -5.13066164 0.83905202 -17.45897257 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53-19-0 4211 170464927 F Mitotane Clc2ccccc2C(C(Cl)Cl)c1ccc(Cl)cc1 Tox21_110103_1 -NCGC00091493-09 196722914 tox21-ror-cho-viability-p1 set3 4 0.26603212 -11.1820894239 5 -6.1820894239 4.9549173134 0.6018358907 0.1095628425 4.52980764 0.93094984 -5.15265248 12.53319449 12.52624996 3.93448805 4.94724183 6.64359163 -5.00637726 -3.43915226 -6.38367612 -9.73507452 -5.94305305 -4.06016858 0.60715987 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104-46-1 7703 170465678 F Anethole COc1ccc(C=CC)cc1 Tox21_111139_1 -NCGC00249899-01 196722915 tox21-ror-cho-viability-p1 set3 4 8.49347389 5.83239303 1.09147724 -0.36252418 7.01709246 1.81600741 0.10957526 1.63303826 7.75542901 8.75946635 3.19615867 8.41834801 5.15592888 5.13129405 15.67098794 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104-28-9 7696 170465555 Ac A Cinoxate COc1ccc(C=CC(=O)OCCOCC)cc1 Tox21_113675 -NCGC00253921-01 196714890 tox21-ror-cho-viability-p1 set2 4 -1.00708162 -4.4875728 -0.567507 -9.76659238 -3.14238833 -3.55623809 -14.16429388 -4.73769897 -7.16869088 -7.77003481 -0.63027827 -3.90821224 -4.97470634 -2.42739801 -13.08561866 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10222-01-2 25059 144210409 2,2-Dibromo-3-nitrilopropionamide BrC(Br)(C#N)C(N)=O Tox21_300089 -NCGC00160537-04 196714870 tox21-ror-cho-viability-p1 set2 4 -2.25497376 -6.73395052 -4.11262958 -6.43116692 -10.47554414 -4.21247413 -6.5750893 -10.83213953 -6.70402858 -14.92933026 -6.74381459 -6.36090934 -6.45974114 -6.59001003 -4.07723852 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00254849-01 196714877 tox21-ror-cho-viability-p1 set2 4 -6.15313867 -4.36945724 0.45525006 0.16878547 -1.7519939 0.23388174 -3.73277953 -3.82524722 -4.28620937 1.06831639 -2.54260855 -2.37411814 -3.61179417 -0.76603044 0.91463319 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 133855-98-8 3317081 144211264 A A Epoxiconazole Fc1ccc(cc1)C4(Cn2cncn2)OC4c3ccccc3Cl Tox21_300947 -NCGC00253996-01 196714881 tox21-ror-cho-viability-p1 set2 4 -2.18397641 -4.75459635 1.27096954 -4.92632644 -4.7043996 -6.82031139 -8.2644654 -8.04999317 -8.70335527 -0.77458758 -1.69324829 -0.5471386 -6.01780284 0.62072042 0.93127173 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-46-6 8117 144210384 A A Diethylene glycol OCCOCCO Tox21_300064 -NCGC00253924-01 196714891 tox21-ror-cho-viability-p1 set2 4 0.1219715124 -7.5375279999 -0.5 -8.0375279999 1.713743691 0.7326547431 0.0253967576 0.66759279 -2.7496755 -0.02357313 2.68153977 -3.11835491 -2.95314274 -4.17208526 -5.75137948 -10.05132395 -11.69794 -9.02886455 -7.36130566 -8.81246742 -4.46505797 -5.71831059 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-90-4 8411 144210361 A A 3,3'-Dimethoxybenzidine Nc1ccc(cc1OC)c2ccc(N)c(OC)c2 Tox21_300041 -NCGC00254461-01 196714894 tox21-ror-cho-viability-p1 set2 4 -1.28643972 1.05394794 1.95272553 0.84172214 1.51683711 2.4574634 0.13189376 0.18709604 1.44391194 2.1594647 -0.04661565 1.80049551 2.87628276 1.25337193 -1.24339624 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 349495-42-7 9857035 144210748 A A PharmaGSID_47263 Oc1ccc(cc1)C=2CNC(=O)c3c(N=2)c(C)nn3CC Tox21_300430 -NCGC00257942-01 196715299 tox21-ror-cho-viability-p1 set2 4 -0.84740516 -0.8841634 -1.76590591 0.15249874 -0.89912279 -0.58898235 -1.04370277 -1.21247206 -0.55235955 2.2505076 -13.00899141 3.89694895 0.80079205 2.72245123 -0.43408724 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.00004125 0.000092249999999 100-40-3 7499 144207586 FNS 4-Vinylcyclohexene C=CC1CC=CCC1 Tox21_200388 -NCGC00258382-01 196715307 tox21-ror-cho-viability-p1 set2 4 3.03273398 1.19782249 0.85600748 0.65525698 1.97294252 2.388626 0.07277939 4.67801677 -0.53750942 1.48044561 1.08035873 2.76596683 1.54882564 0.71514041 -1.14171035 1.202E-9 2.687E-9 6.0089999999E-9 1.344E-8 3.0039999999E-8 6.718E-8 1.5019999999E-7 3.359E-7 7.511E-7 0.0000016799999999 0.0000037559999999 0.000008398 0.00001878 0.00004199 0.00009389 1338-24-5 20849290 144208026 FNS Naphthenic acids OC(=O)CCC1CCC(C1)CC Tox21_200828 -NCGC00091532-04 196716155 tox21-ror-cho-viability-p1 set2 -2.1 49.1509036116 -75.971162338 -0.7205025459 -76.6916648839 2.7202212143 0.9862369373 5.4E-9 -2.39965752 -4.1053783 1.09383749 -0.10089953 -5.56061101 0.83621926 -1.29102697 -1.60290377 -0.13271183 1.34352008 0.68216683 1.52952176 -4.42819473 -30.0072026 -65.6755037 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00257634-01 196715319 tox21-ror-cho-viability-p1 set2 -2.2 17.7711747189 -49.8996475505 -10.1979727999 -60.0976203504 0.9999999999 0.9848840451 9.3E-9 -7.70808416 -8.7030165 -14.55082957 -12.8159197 -7.59060748 -9.88765015 -11.27477732 -12.96496892 -13.31232871 -14.98702993 -19.5443588 -29.34674152 -38.40889544 -47.06238699 -53.48304572 1.467E-9 3.2809999999E-9 7.337E-9 1.641E-8 3.669E-8 8.203E-8 1.834E-7 4.102E-7 9.172E-7 0.000002051 0.000004586 0.00001025 0.00002293 0.00005127 0.0001146 3520-42-1 62500 144207278 A F C.I. Acid Red 52 [Na+].O=S([O-])(=O)c4cc(ccc4c1c3cc(C)c(cc3[o+]c2cc(N(CC)CC)c(C)cc12)N(CC)CC)S([O-])(=O)=O Tox21_200080 -NCGC00257993-01 196715331 tox21-ror-cho-viability-p1 set2 4 3.08017277 6.00152664 1.23541908 0.95625488 2.35712092 4.5376971 1.37625124 -0.66732728 1.50410793 1.03767471 1.88243644 0.56978784 1.89796636 -1.0153759 -0.30184472 1.1919999999E-9 2.6659999999E-9 5.962E-9 1.333E-8 2.981E-8 6.6659999999E-8 1.491E-7 3.3329999999E-7 7.4529999999E-7 0.0000016659999999 0.000003726 0.000008332 0.00001863 0.00004166 0.00009316 115-27-5 8265 144207637 A A Chlorendic anhydride ClC2=C(Cl)C3(Cl)C1C(C(=O)OC1=O)C2(Cl)C3(Cl)Cl Tox21_200439 -NCGC00258215-01 196715751 tox21-ror-cho-viability-p1 set2 4 1.6279638 -3.60250812 -5.04995533 -4.74961963 -1.49431489 -1.71400634 -2.41071211 -6.20623893 -2.06808184 -3.15516072 -2.39086638 -3.69470605 -0.30805089 -2.86380468 -9.23166367 1.1759999999E-9 2.631E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.576E-8 1.471E-7 3.288E-7 7.3529999999E-7 0.0000016439999999 0.000003676 0.00000822 0.000018379999999 0.0000411 0.000091909999999 85-42-7 85689 144207859 A A Hexahydrophthalic anhydride O=C1OC(=O)C2CCCCC12 Tox21_200661 -NCGC00257758-01 196716160 tox21-ror-cho-viability-p1 set2 4 1.93333805 5.21405394 3.15480705 4.95885943 4.50041481 1.62630794 3.41002213 2.06018495 4.36376331 5.26078841 0.4774707 3.2998028 2.35922375 0.25259109 1.36824528 1.1679999999E-9 2.6109999999E-9 5.838E-9 1.305E-8 2.919E-8 6.5269999999E-8 1.4599999999E-7 3.264E-7 7.298E-7 0.0000016319999999 0.0000036489999999 0.000008159 0.000018239999999 0.000040799999999 0.00009122 611-06-3 11899 144207402 A Ac 2,4-Dichloronitrobenzene O=[N+]([O-])c1ccc(Cl)cc1Cl Tox21_200204 -NCGC00260662-01 196711504 tox21-ror-cho-viability-p1 set2 4 3.7578035763 -7.4689729239 1 -6.4689729239 1.9673362061 0.3755637045 0.3132299939 -1.10147287 -1.9824694 3.56607 3.46547733 1.40930956 2.13053797 -1.66246312 3.07287252 -0.32186689 -0.95853681 -1.74029901 1.2847625 -12.89081077 -1.96548831 11.21019825 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49558 144210315 M M NTP Mix32 AR2 7-EQP Tox21_203117 -NCGC00258388-01 196711905 tox21-ror-cho-viability-p1 set2 4 -2.91300007 -6.34852384 -6.06851632 -6.60305373 -3.54302826 -3.73486027 -4.04530361 0 -11.10025757 -32.32060683 -7.38994303 -13.10821666 0 -1.46804741 -2.56996811 1.173E-9 2.622E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.3299999999E-7 0.0000016389999999 0.000003665 0.000008195 0.00001832 0.000040969999999 0.00009162 142-83-6 637564 144208032 FNS (2E,4E)-2,4-Hexadienal C\C=C\C=C\C=O Tox21_200834 -NCGC00356976-01 196711911 tox21-ror-cho-viability-p1 set2 -1.1 13.6854287769 -84.8916622617 -3.687841169 -88.5795034307 2.2526478767 0.9069698899 0.003212204 -5.7805694 -6.48731164 -5.35806698 -5.42571575 -3.31521151 0 -35.09413957 -1.18438668 -1.45266352 -5.84667433 -17.77377867 0 -81.87841169 -80.5109129 -79.36219292 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3006-93-7 18156 251919791 Ac N,N'-1,3-Phenylenedimaleimide O=C3C=CC(=O)N3c1cccc(c1)N2C(=O)C=CC2=O Tox21_303753 -NCGC00357263-01 196711920 tox21-ror-cho-viability-p1 set2 4 -3.59685474 -2.89461371 -5.78982567 -10.43404384 -10.84891049 -5.5063214 -3.22856989 -0.28589283 0 0 -14.78115044 -13.48901312 -7.51099852 -25.3281622 -3.28524288 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 563-04-2 11232 251919691 Ac Tri-m-tolyl phosphate Cc1cc(ccc1)OP(=O)(Oc2cc(C)ccc2)Oc3cc(C)ccc3 Tox21_303758 -NCGC00260225-01 196712322 tox21-ror-cho-viability-p1 set2 4 -1.89940668 -16.84368094 -6.76505623 -5.84298562 -1.27240673 -7.33910663 -9.23495843 -9.64052115 -9.84404475 -8.53659606 -1.92580029 0 0 -12.26619107 -9.4415261 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 NOCAS_49388 60196390 144209875 A A 1-Butyl-2-methylpyridinium trifluoromethanesulfonate Cc1cccc[n+]1CCCC.FC(F)(F)S([O-])(=O)=O Tox21_202677 -NCGC00357181-01 196712345 tox21-ror-cho-viability-p1 set2 2.4 17.2289340586 22 2 24 0.3 0.763306779 0.0158705982 1.92024127 2.96736172 0.84703067 5.59533939 3.50627168 9.1611101 10.58467466 6.47991796 8.38806587 6.95534251 9.99293775 10.91967865 9.29746839 15.29965485 19.56209901 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17754-90-4 87293 251919665 A 4-(Diethylamino)salicylaldehyde O=Cc1ccc(cc1O)N(CC)CC Tox21_303946 -NCGC00090760-08 196712741 tox21-ror-cho-viability-p1 set2 4 -0.92726765 -1.96262683 -0.25280136 -1.92959248 -1.89932989 -0.11045124 2.1831885 -1.42088423 -0.51513591 2.99968106 -1.08293537 3.7035023 3.49162469 -0.16473158 -8.76408899 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00021277-04 196712761 tox21-ror-cho-viability-p1 set2 4 0.0023710138 -12.393369748 12 -0.393369748 0.4 0.5356453456 0.165586725 9.94489169 1.91438017 7.41037237 6.02586267 0.83157076 1.65596471 6.62708288 0.44358676 0.9509051 1.1465338 -0.74447479 -0.41085789 -0.26159754 1.76885396 5.19651783 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-03-3 5702068 170466796 A Hydrocortisone acetate CC(=O)OCC(=O)[C@@]4(O)CCC3C2CCC1=CC(=O)CC[C@]1(C)C2[C@@H](O)C[C@@]34C Tox21_113074_1 -NCGC00025158-02 196712762 tox21-ror-cho-viability-p1 set2 4 -0.4187502 -0.44366469 0.4297923 -1.49951418 0.01582621 0.01445848 -4.90501904 0.75122463 0.44987264 0.86158971 0.11958874 -0.60417053 -0.00539819 1.20894807 -0.15154078 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1217457-81-2 56972160 170465880 A (S)-(+)-Dimethindene maleate C[C@@H](C=1c2ccccc2CC=1CCN(C)C)c3ccccn3.O=C(O)/C=C\C(=O)O Tox21_113582_1 -NCGC00164164-02 196712354 tox21-ror-cho-viability-p1 set2 4 -2.65626127 -1.75338953 -4.75322566 -7.62497951 -7.42913607 0 -29.39525355 0 0 -7.00498312 -1.46545452 0 0 -2.70267444 12.57430949 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00357282-01 196711945 tox21-ror-cho-viability-p1 set2 4 -1.77126549 -0.65870812 -2.08903968 -2.3169477 -0.0654395 -1.85506727 -6.32209332 -0.11420802 -2.80668622 -7.90921524 -3.86503895 -13.02008239 -17.27386864 5.83138453 -0.5608244 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76014-81-8 104856 251919641 F 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol OC(CCCN(C)N=O)c1cccnc1 Tox21_303708 -NCGC00357228-01 196711954 tox21-ror-cho-viability-p1 set2 2.4 0.0216899429 25.963296116 -11.463296116 14.5 0.2 0.6972268095 0.0396016057 -1.35477246 -6.21941343 0.59388366 3.84634837 3.60786624 4.14620708 5.00844564 5.29162785 6.64045332 3.65330097 7.40723786 6.02030702 7.93049232 6.66091167 16.09670151 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-67-8 66679 251919970 B N,N-Diethyl-m-toluidine CCN(CC)c1cc(C)ccc1 Tox21_304015 -NCGC00260071-01 196712349 tox21-ror-cho-viability-p1 set2 4 -2.64990506 -2.22037954 -1.95100452 -3.595879 1.24734589 -6.16322358 -3.02124195 -3.98201626 -3.15336401 -2.84665608 -9.46901392 0 0 -2.02257749 -1.11092309 5.82E-10 1.301E-9 2.9099999999E-9 6.506E-9 1.455E-8 3.253E-8 7.274E-8 1.627E-7 3.637E-7 8.133E-7 0.0000018189999999 0.000004067 0.000009093 0.000020329999999 0.00004547 148-82-3 460612 144209720 Cc Fc Melphalan O=C(O)[C@@H](N)Cc1ccc(cc1)N(CCCl)CCCl Tox21_202522 -NCGC00257944-01 196702598 tox21-ror-cho-viability-p1 set1 4 0.3462110003 -13.969623744 -2 -15.969623744 0.3 0.3718834769 0.3160052327 -7.1594974 -9.45965014 1.6030443 -3.67577819 -10.47497908 -2.23801269 -13.59911311 -9.06268315 -5.32693939 -9.46309686 -14.14135312 -13.92424979 -11.47616861 -13.0229421 -10.118718 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.4829999999E-7 3.317E-7 7.417E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.00004146 0.000092709999999 82586-55-8 54891 144207588 B D Quinapril hydrochloride Cl.O=C(OCC)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2Cc3ccccc3C[C@H]2C(=O)O Tox21_200390 -NCGC00257597-01 196701788 tox21-ror-cho-viability-p1 set1 4 -2.78728335 -2.70849178 -6.40307858 -0.61516364 -7.25718101 -1.90596921 -7.57534739 -9.64285617 2.03488327 -12.4536213 -12.78049583 -15.63859756 -2.95240944 -3.29423527 -6.53451899 1.2869999999E-9 2.8769999999E-9 6.433E-9 1.439E-8 3.2169999999E-8 7.193E-8 1.6079999999E-7 3.5959999999E-7 8.042E-7 0.000001798 0.000004021 0.0000089909999999 0.0000201 0.00004495 0.00010049999999 1918-02-1 15965 144207241 A A Picloram Nc1c(Cl)c(nc(Cl)c1Cl)C(=O)O Tox21_200043 -NCGC00258132-01 196702194 tox21-ror-cho-viability-p1 set1 4 2.54582986 -0.1691706 0.51943603 7.63765977 4.8450565 5.78300989 4.05030176 2.23786241 2.78131962 0.46228424 3.28147092 -5.38203073 5.21223445 5.06605695 6.88820828 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003707 0.0000082899999999 0.00001854 0.00004145 0.00009269 22113-86-6 193581 144207776 A A Ethylammonium nitrate CCN.[O-][N+](=O)O Tox21_200578 -NCGC00258274-01 196702197 tox21-ror-cho-viability-p1 set1 4 8.5822609669 -17.09445014 -0.5 -17.59445014 3.9899729863 0.8437409039 0.0027186289 0.07449147 0.25516395 -3.02084555 -1.52656168 1.55533697 2.38935998 1.20766356 -4.63632392 -1.87730248 0.54682421 1.69484064 -8.88251207 -19.15841944 -10.56053757 -22.57870845 1.1739999999E-9 2.626E-9 5.871E-9 1.3129999999E-8 2.9349999999E-8 6.564E-8 1.468E-7 3.282E-7 7.339E-7 0.000001641 0.000003669 0.000008205 0.00001835 0.00004102 0.00009173 119-75-5 8407 144207918 A A 2-Nitrodiphenylamine [O-][N+](=O)c2ccccc2Nc1ccccc1 Tox21_200720 -NCGC00258095-01 196702614 tox21-ror-cho-viability-p1 set1 4 44.3355177378 -6.59779288 4 -2.59779288 3.1319983358 0.3698560037 0.3048283447 8.65178169 5.03573873 1.52528213 6.20638625 -0.55545982 6.62315692 3.74827146 5.4020843 3.88165168 1.26761183 3.48475492 2.62026269 5.49385015 0.50418333 -2.1648274 1.204E-9 2.693E-9 6.0219999999E-9 1.347E-8 3.011E-8 6.733E-8 1.506E-7 3.367E-7 7.528E-7 0.000001683 0.0000037639999999 0.000008416 0.00001882 0.00004208 0.000094099999999 117-99-7 8348 144207739 A A 2-Hydroxybenzophenone O=C(c1ccccc1O)c2ccccc2 Tox21_200541 -NCGC00260510-01 196703019 tox21-ror-cho-viability-p1 set1 4 -1.93296965 2.9875828 3.99399721 0.62413518 -0.71043468 0.46535558 3.86302367 4.2358833 3.85017497 1.15711822 -1.50839324 -2.09919933 4.78353305 0.64407771 5.87736839 5.916E-11 1.3229999999E-10 2.9579999999E-10 6.6149999999E-10 1.479E-9 3.307E-9 7.3949999999E-9 1.6539999999E-8 3.698E-8 8.268E-8 1.849E-7 4.134E-7 9.244E-7 0.000002067 0.000004622 131-09-9 8553 144210162 A 2-Chloroanthraquinone Clc2ccc3C(=O)c1ccccc1C(=O)c3c2 Tox21_202964 -NCGC00178741-03 196698062 tox21-ror-cho-viability-p1 set1 4 -0.72066353 -2.29340023 0.44388889 -3.72883741 -0.21266257 -4.52535847 -1.32976946 0.94784471 -4.47525167 -1.78711849 -2.79631823 0.91289848 0.45318221 -3.35580605 -1.47754775 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 105816-04-4 5311309 170464822 A Nateglinide CC(C)[C@@H]1CC[C@H](CC1)C(=O)N[C@H](Cc2ccccc2)C(=O)O Tox21_111432_1 -NCGC00024633-07 196697644 tox21-ror-cho-viability-p1 set1 4 -0.95838452 0.42150873 1.61092976 -1.82987203 1.33196557 -1.26610781 -4.12155245 -2.18612013 -2.92436497 -0.92881177 -4.46523476 -0.24323952 -1.68216476 -2.996978 -4.87262373 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 510-74-7 68186 170466454 A AMI-193 Fc1ccc(cc1)OCCCN2CCC4(CC2)C(=O)NCN4c3ccccc3 Tox21_110914_1 -NCGC00344522-01 196697649 tox21-ror-cho-viability-p1 set1 4 -0.93804608 -0.70867101 5.36683504 -3.83897129 -0.53240652 -3.45911378 -3.26449286 3.36691275 0.77042517 -4.0468554 -0.52730984 0.79542047 -8.34227983 -0.78814795 -0.49140592 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 90-80-2 7027 170465327 Z Gluconolactone O[C@H]1[C@H](O)[C@@H](O)C(=O)O[C@@H]1CO Tox21_111383_1 -NCGC00090782-06 196698047 tox21-ror-cho-viability-p1 set1 -2.4 18.8336317891 -32.342867024 -0.5 -32.842867024 1.9673362061 0.8620184915 0.0015331665 3.905531 0.6515726 -5.18607985 -3.6131764 -0.07082518 -3.32796246 -0.99439879 -0.42677909 1.44971501 -3.77322781 7.00516653 -4.94220762 -5.22734313 -19.47294158 -27.78572252 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 159989-65-8 64142 170465351 A Nelfinavir mesylate CS(=O)(=O)O.Oc1cccc(c1C)C(=O)N[C@@H](CSc2ccccc2)[C@H](O)CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C Tox21_111021_1 -NCGC00015836-12 196698066 tox21-ror-cho-viability-p1 set1 4 -1.54657373 -3.31636405 6.13624189 -4.31939863 4.32854126 0.12223974 0.36932439 4.97149868 2.56457508 -0.03752162 3.01985231 -0.07612574 0.58552536 1.43715315 3.18629919 5.899E-11 1.319E-10 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 28797-61-7 4848 170465793 A Pirenzepine O=C(CN1CCN(C)CC1)N4c2ccccc2C(=O)Nc3cccnc34 Tox21_110239_1 -NCGC00022735-06 196698067 tox21-ror-cho-viability-p1 set1 4 0.0010590929 8.750436856 -6.250436856 2.5 3.9899729863 0.5741355094 0.1188932745 -5.20869738 -0.39831775 4.39597377 -1.43811316 2.61407712 0.54314465 3.26245977 2.63536785 0.73266708 1.82877818 2.80072107 5.56974666 1.82129645 2.75803909 5.21097744 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83-43-2 6741 170465051 A Methylprednisolone OCC(=O)[C@@]4(O)CC[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3C[C@H](C)C1=CC(=O)C=C[C@@]12C Tox21_110376_1 -NCGC00090760-08 196697565 tox21-ror-cho-viability-p1 set1 -3 68.1713220381 -59.1819481011 -0.159049803 -59.3409979041 4.9549173134 0.9662214112 9.509E-7 0.91356447 -4.28762367 1.36435175 1.33594726 1.59944541 1.59184848 -0.86672239 2.90716636 -0.90204245 0.01886182 -0.51558601 -2.91005196 -4.97442852 -2.09964318 -48.68333167 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00095042-06 196724171 tox21-ror-cho-viability-p1 set3 4 -5.89156984 -1.46464576 -1.19166428 -2.56220912 4.85016444 -2.08898479 2.0886764 5.99154062 -2.90917896 -0.30277458 2.30462159 1.75942804 -1.3729531 -1.75283656 -0.08433289 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00167445-02 196697997 tox21-ror-cho-viability-p1 set1 4 0.00926402 -0.89382281 2.64419101 0.46076562 -1.07526352 -0.36579739 -0.8147304 0.73273465 -1.43788567 4.00697112 0.34694352 3.65632066 0.17782168 0.71474523 -1.70246805 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 10402-53-6 73356 170465851 A Eprazinone dihydrochloride Cl.Cl.O=C(c1ccccc1)C(C)CN3CCN(CC(OCC)c2ccccc2)CC3 Tox21_112449_1 -NCGC00015255-08 196697999 tox21-ror-cho-viability-p1 set1 4 0.0000084127 9.535383836 -9.035383836 0.5 4.5044702849 0.787775235 0.010686861 -7.52948653 -0.53017796 -0.01235727 -0.89136957 1.55800882 0.97458245 -1.00448718 0.30444309 0.62274888 0.81405971 0.62703579 -0.55978691 0.92364879 -0.49022466 3.35013973 5.899E-12 1.319E-11 2.949E-11 6.595E-11 1.475E-10 3.2969999999E-10 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 7424-00-2 4652 170466310 A Fenclonine Clc1ccc(CC(N)C(=O)O)cc1 Tox21_110114_1 -NCGC00016018-10 196697559 tox21-ror-cho-viability-p1 set1 4 2.79327219 3.50296767 0.41328267 -0.94873013 0.19076462 3.48616963 -1.36234718 0.93347097 0.6764044 3.03090235 2.36238397 -5.96496444 1.02373518 1.71195209 0.87772905 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 522-48-5 10648 170464943 A Tetrahydrozoline hydrochloride Cl.C2CCC(C1=NCCN1)c3ccccc23 Tox21_110450_1 -NCGC00018187-09 196697560 tox21-ror-cho-viability-p1 set1 -2.4 26.6032120037 -24.900175464 1 -23.900175464 4.5044702849 0.8542301796 0.0019849345 1.82902955 -1.51567772 0.06220705 -5.17631761 2.41994748 0.38837216 2.58065958 6.50297257 0.33305112 1.53575515 -0.38973933 0.07480225 1.12461176 -5.06614742 -22.00014622 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 298-57-7 1547484 170465920 A Cinnarizine c1ccccc1C(c2ccccc2)N3CCN(CC3)C/C=C/c4ccccc4 Tox21_110109_1 -NCGC00262967-01 196697561 tox21-ror-cho-viability-p1 set1 4 23.7101376556 -20.434262664 2.5 -17.934262664 1.1340999999 0.7582057739 0.0172578471 3.50065295 1.04919238 5.78908628 -0.16379639 1.5482033 3.05942989 6.42589527 5.09801933 -0.30278111 0.3374583 0.91568399 -3.37777065 -0.36309664 -4.62124296 -13.27855222 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10539-19-2 70882 170466298 A A Moxaverine COc1cc3c(cc1OC)cc(CC)nc3Cc2ccccc2 Tox21_113958 -NCGC00179532-03 196697566 tox21-ror-cho-viability-p1 set1 4 3.06806661 0.16060326 -1.14574636 1.05427642 2.0022774 0.26717608 -0.08378697 2.47156823 -0.09369052 0.7437454 3.64714201 -1.99346474 0.74178142 1.71180848 5.86339619 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 96-82-2 7314 170466730 Z Lactobionic acid O=C(O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO Tox21_113353_1 -NCGC00018238-09 196697570 tox21-ror-cho-viability-p1 set1 4 0.6682424727 -13.32561442 -1.6274720999 -14.9530865199 1.4641 0.8913970655 0.0008553575 -4.50631191 -0.43252277 -0.34031492 -4.21026506 -0.74177601 -1.09397109 -0.99108548 -0.10622675 -6.01104604 -10.69623481 -12.63204301 -11.79423198 -17.8775721 -12.98783103 -6.51011517 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 20559-55-1 4622 170465661 A Oxibendazole O=C(OC)Nc1nc2cc(ccc2n1)OCCC Tox21_110844_1 -NCGC00182850-02 196697573 tox21-ror-cho-viability-p1 set1 4 -2.74795608 -1.53108234 -1.50457598 0.19413936 -1.81239796 1.00178043 -0.02441938 -2.01511581 0.00098446 -0.03587217 -1.0074496 0.67873244 -1.96939048 0.52950397 -3.20847847 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82626-01-5 54897 170466634 A Alpidem CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)c3ccc(Cl)cc3 Tox21_113593_1 -NCGC00094717-06 196697577 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -18.7577790919 0 -18.7577790919 4.9549173134 0.7696796164 0.0142655319 -7.07297123 -1.37165731 1.01801052 0.43991037 -0.38468263 2.5537646 0.55711771 2.32147414 -0.38639738 1.56866961 0.99617911 0.3571685 -0.59206959 0.57383578 -16.46481591 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-44-2 667490 170464985 A 6-mercaptopurine S=C2NC=Nc1ncnc12 Tox21_111158_1 -NCGC00164449-04 196697588 tox21-ror-cho-viability-p1 set1 4 -1.59788827 -0.30009175 -1.55638192 -3.83454422 -4.20552418 0.54815743 -0.51588334 -3.60658138 -3.43938714 -5.20855055 -5.14577369 -2.74345274 -1.92693057 2.45069996 -1.12934251 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00066947-05 196717371 tox21-ror-cho-viability-p1 set2 4 -1.26617508 -2.96085086 -2.66815969 -4.12187883 -0.79957169 -2.15244757 -2.2333178 -1.16450464 -1.0887681 -4.79167725 1.23252921 -1.96229165 -1.73259252 -1.76169846 -2.79872809 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00273482-01 196716972 tox21-ror-cho-viability-p1 set2 2.1 11.8832183006 105.9161249557 7.568282734 113.4844076897 0.7999999999 0.9853875272 7.7E-9 5.47981382 0.74981757 10.08276626 8.91112269 10.1783286 9.73325295 12.74430657 12.9545502 12.08319248 16.47505515 25.13872045 41.87390215 56.07319535 66.49321416 90.06699023 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7177-50-6 23704143 170465253 A Nafcillin sodium monohydrate [Na+].O.O=C([O-])[C@@H]3N4C(=O)[C@@H](NC(=O)c1c2ccccc2ccc1OCC)[C@H]4SC3(C)C Tox21_110767_1 -NCGC00178815-03 196716973 tox21-ror-cho-viability-p1 set2 4 0.29248349 0.52770892 1.42948142 3.28308944 3.93481592 8.14021209 5.47409563 6.89744343 3.23655047 -0.8236963 2.89761532 4.06212753 0.92879609 -0.05407524 1.41310342 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64490-92-2 23677829 170465216 F Tolmetin sodium dihydrate [Na+].O.O.O=C([O-])Cc2ccc(C(=O)c1ccc(C)cc1)n2C Tox21_110792_1 -NCGC00018123-07 196717365 tox21-ror-cho-viability-p1 set2 4 -3.17797292 1.12605521 -2.47693576 -3.12642005 -1.2035682 -1.05069679 -0.36007795 1.89266684 1.54127507 -2.22944228 -0.57373733 -3.08631722 -0.51498739 -0.86039439 0.85470827 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60-31-1 6060 170464783 Z Acetylcholine chloride [Cl-].C[N+](C)(C)CCOC(=O)C Tox21_113435_1 -NCGC00091533-10 196717399 tox21-ror-cho-viability-p1 set2 4 -2.86468373 -3.46737372 -3.34004239 -3.75759014 -2.0921589 -0.93866134 -3.77613443 -0.57732083 -1.52997195 0.37197096 1.68072438 -3.23795671 -1.5317025 -2.68487502 -1.94957308 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-63-6 5991 170464983 A Ethinylestradiol Oc3cc4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@@]1(O)C#C)c4cc3 Tox21_111147_1 -NCGC00250401-02 196716992 tox21-ror-cho-viability-p1 set2 -1.1 0.26603212 -66.901042135 0.7624846549 -66.1385574801 3.1924983358 0.948113057 0.0000102814 1.31646157 2.08583712 3.21970494 1.80974445 -0.39839495 -0.89414185 -0.52144138 -14.07456344 -44.80075508 -74.04528358 -74.15544851 -73.42589595 -69.09088134 -63.25964839 -42.66475708 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 131740-09-5 9910986 170466414 A Flavopiridol Cl.CN4CC[C@H](c3c(O)cc(O)c1c3OC(=CC1=O)c2ccccc2Cl)[C@H](O)C4 Tox21_113396_1 -NCGC00253656-01 196716993 tox21-ror-cho-viability-p1 set2 4 0.0018833632 19.138886704 -17.138886704 2 0.5 0.6251120813 0.0799677402 -12.61573892 -7.39505615 -0.0656146 -10.8693987 -0.41601037 -6.47500144 1.37042373 -0.14455414 -0.44199109 3.49198371 0.3515687 4.41549397 0.31990094 0.83150331 2.25536652 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 302-97-6 99472 170466735 A A Etienic acid O=C(O)[C@H]3CC[C@H]2[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_113782 -NCGC00164542-02 196716995 tox21-ror-cho-viability-p1 set2 4 8.4126743008 10.1057145639 -2.1057145639 8 0.4 0.4114293869 0.263109909 -3.33160108 -2.40327218 -3.02349292 3.47218646 0 -7.58809547 0.30876658 0.9087313 -0.80354662 0.66269659 5.14440273 -1.5349635 3.51608585 3.15117132 5.72480839 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57460-41-0 68770 170466514 A Talinolol O=C(NC1CCCCC1)Nc2ccc(OCC(O)CNC(C)(C)C)cc2 Tox21_112171_1 -NCGC00159372-04 196717403 tox21-ror-cho-viability-p1 set2 4 2.29083172 0.48380985 0.85056549 4.21443012 1.9896307 3.06444601 4.64628843 2.58597399 0.36638188 6.59817885 1.21291872 1.86273625 2.65204652 -0.1432024 0.94413536 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 110-15-6 1110 170465738 Z Butanedioic acid O=C(O)CCC(=O)O Tox21_111612_1 -NCGC00094887-05 196717815 tox21-ror-cho-viability-p1 set2 4 0.04435481 1.27708103 -2.52738608 0.47703695 2.3571584 -0.7847415 4.16709494 0.69632466 -1.25707539 -0.89708446 -0.3117874 -1.16988971 -1.05960428 -1.88242615 0.14639879 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71720-56-4 6604557 170465299 A Fenoprofen calcium salt dihydrate [Ca+2].O.O.[O-]C(=O)[C@@H](C)c2cc(Oc1ccccc1)ccc2.[O-]C(=O)[C@@H](C)c2cc(Oc1ccccc1)ccc2 Tox21_110785_1 -NCGC00256864-01 196718230 tox21-ror-cho-viability-p1 set2 4 1.20904218 0.30929754 0.94298224 0.84227517 2.30571022 4.07204449 0.01275729 1.16663951 2.70377224 2.28787744 8.29235826 4.6979877 3.68872471 0.97841442 0.76728552 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16485-10-2 4678 144212977 A A Panthenol CC(C)(CO)C(O)C(=O)NCCCO Tox21_302660 -NCGC00257216-01 196718241 tox21-ror-cho-viability-p1 set2 4 -4.85413792 2.6356905 -0.41997883 0.23129142 -4.31795864 -5.63219792 -5.32459141 -3.68651141 -0.37487848 -3.40750514 -5.06952876 -3.02733244 -0.45379133 2.1043599 0.94274065 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-91-6 7729 144213376 F Fns 4-Nitrosophenol O=Nc1ccc(O)cc1 Tox21_303059 -NCGC00091210-02 196713581 tox21-ror-cho-viability-p1 set2 4 34.3762428541 -20.621075964 -1 -21.621075964 1.55794881 0.8571701709 0.0018108548 -4.99694963 -0.08905486 -0.60029385 -0.25561555 -5.30821651 0.68587861 0.83019425 0.44763966 0.11215305 -2.84209151 -0.43965609 -6.1353652 -5.48612497 -11.85916908 -19.68422997 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00183001-01 196713579 tox21-ror-cho-viability-p1 set2 4 2.6682806 -3.82543956 -2.65066305 -5.40606756 3.31825738 3.56376134 1.59082484 -7.47948503 0.28892971 2.40976404 -7.43206087 -0.55619648 -2.94776673 -5.85187718 -3.19375379 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 150683-30-0 216237 144206807 A A Tolvaptan Cc1ccccc1C(=O)Nc2ccc(c(C)c2)C(=O)N4CCCC(O)c3cc(Cl)ccc34 Tox21_113256 -NCGC00159510-05 196713584 tox21-ror-cho-viability-p1 set2 4 13.3331902297 -8.324666916 -2 -10.324666916 4.0949729863 0.5616150833 0.1273341111 0.64649462 -0.99539348 -5.78721083 -3.36259876 -0.09782088 -6.56900164 -4.76398148 0.591091 0.52290982 -2.94688912 0.04242491 1.42510586 -3.84587088 -8.84603554 -10.68722243 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 129722-12-9 60795 170465392 A Aripiprazole Clc4cccc(N3CCN(CCCCOc1ccc2CCC(=O)Nc2c1)CC3)c4Cl Tox21_111728_1 -NCGC00163111-02 196713586 tox21-ror-cho-viability-p1 set2 4 -3.2608699 1.35125036 -5.7124349 -3.80730392 -5.19270392 2.25589531 -4.86635502 1.69350961 1.16211536 -4.58392318 -4.87962951 -0.21426769 2.35444086 -5.74005483 -5.40468051 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 300-39-0 9305 170466794 A 3,5-Diiodo-L-tyrosine Ic1cc(C[C@H](N)C(=O)O)cc(I)c1O Tox21_113061_1 -NCGC00165769-03 196713592 tox21-ror-cho-viability-p1 set2 4 0.69572908 -0.03632248 -0.15133132 0.85533271 -0.62188002 0.0522732 0.50860725 2.05861631 1.76004377 2.06334383 1.68423411 -0.82210053 0.55610139 0.63511148 1.28201794 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 74697-28-2 16219127 170466522 A Cloricromen hydrochloride Cl.O=C(OCC)COc2ccc1c(OC(=O)C(CCN(CC)CC)=C1C)c2Cl Tox21_112260_1 -NCGC00262939-01 196713601 tox21-ror-cho-viability-p1 set2 4 1.86841043 1.51657165 -6.07680656 3.5951885 -2.70179215 -8.74428219 -7.0032981 -3.59370169 -1.39628108 2.23948345 -2.51006304 -6.23359597 -5.19685842 -0.33941158 -2.77206052 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6092-18-8 10357917 170465848 A F Cycotiamine O=C1OCC\C(S1)=C(/C)N(C=O)Cc2cnc(C)nc2N Tox21_113932 -NCGC00183013-01 196713200 tox21-ror-cho-viability-p1 set2 4 3.22257296 -2.05087781 -4.02184486 -4.31972303 2.76459677 0.55332867 -2.35220208 0.96682054 -1.65406912 -2.46202264 2.96773839 2.55681142 -5.63476104 -3.27209042 -0.16408995 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 149838-23-3 164486 144206845 A A Doranidazole OC[C@@H](O)[C@H](CO)OCn1ccnc1[N+]([O-])=O Tox21_113294 -NCGC00181011-02 196713204 tox21-ror-cho-viability-p1 set2 4 -3.97375865 -5.92461642 0.03202354 -4.53639253 -5.73149948 -5.547405 -7.04843689 -2.44447601 -1.08682064 -5.2064129 0.77158379 -0.71052033 -1.08579808 0.82577614 2.50525369 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103766-25-2 54679224 170466048 A Gimeracil ClC1=CNC(=O)C=C1O Tox21_112661_1 -NCGC00262575-02 196713596 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -14.99866152 2.5 -12.49866152 4.9549173134 0.6169196838 0.085819663 0.4675255 5.5728226 4.45174272 7.01834406 0.44968738 4.57371989 1.60913436 5.19001926 5.7775298 1.53552934 -0.51022808 -0.49880378 -0.54402872 1.62157474 -9.9988846 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 427-51-0 9880 170465682 A Cyproterone acetate CC(=O)[C@@]4(OC(C)=O)CC[C@H]3[C@@H]5C=C(Cl)C2=CC(=O)[C@@H]1C[C@@H]1[C@]2(C)[C@H]5CC[C@@]34C Tox21_111064_1 -NCGC00160563-02 196713605 tox21-ror-cho-viability-p1 set2 4 -5.14784668 -5.88695592 -4.59682822 -2.64494208 -5.9624011 -5.89236589 -3.05243608 -3.57748024 -3.41605152 -1.24573542 -3.03527974 -2.23430467 -3.7158006 1.87254759 0.76597412 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 541-79-7 10944 170466293 F Carbocloral OC(NC(=O)OCC)C(Cl)(Cl)Cl Tox21_111902_1 -NCGC00248704-02 196713610 tox21-ror-cho-viability-p1 set2 4 0.07307696 -1.21274855 0.8508777 0.56715766 1.75510846 1.29302774 1.7712718 -0.82236809 -1.912013 -1.28126445 1.29272934 2.58984027 3.11402047 1.68687114 4.09646863 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87-81-0 2724552 170466850 Z D-Tagatose O[C@H]1[C@@H](O)[C@H](O)CO[C@@]1(O)CO Tox21_113373_1 -NCGC00091351-03 196713611 tox21-ror-cho-viability-p1 set2 4 -2.78659881 -1.92339069 -0.36757158 -0.56914171 -0.85814935 1.0183042 -0.23244465 -2.68563263 0.21251534 -0.95062952 -1.86307971 -0.41576095 0.04395331 0.12786127 -0.11726896 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00091062-09 196704284 tox21-ror-cho-viability-p1 set1 4 1.8770246 0.04973102 -0.13285687 0.80449877 -0.21739027 1.79472788 0.19792379 1.17014705 3.76943142 0.32496224 0.43321127 0.12399993 0.45353066 0.34268863 2.6671977 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4350-09-8 439280 170466308 A 5-Hydroxytryptophan O=C(O)[C@@H](N)Cc2cnc1ccc(O)cc12 Tox21_111073_1 -NCGC00090721-03 196704264 tox21-ror-cho-viability-p1 set1 4 76.9588215421 8.3352324319 -0.8352324319 7.5 4.9549173134 0.3294309966 0.34469979 0.45748944 1.11306429 0.61783329 0.26715432 -0.2378728 -0.47942704 -0.21892958 -6.52936036 0.47557561 -5.54039105 -0.35120946 -0.07840045 0.77672707 -1.13652974 5.23107503 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00253600-01 196704271 tox21-ror-cho-viability-p1 set1 4 -0.82618524 -0.17144251 2.04763527 0.13625423 -0.25528948 8.80949356 0.04254244 -0.2197553 2.05104896 1.59634087 -0.05172571 1.67453619 3.64354775 3.9183158 0.07522432 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1225-20-3 23667529 170465058 F A Iothalamate sodium [Na+].O=C(C)Nc1c(I)c(c(I)c(c1I)C([O-])=O)C(=O)NC Tox21_113735 -NCGC00253635-01 196704274 tox21-ror-cho-viability-p1 set1 4 -0.05900255 -4.32022302 -2.49287575 1.47535944 -4.40620033 0.4371947 0.55761896 0.67441277 0.2320765 -3.15081733 -2.39088214 0.19328132 0.96987739 1.03476794 2.91279183 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21732-17-2 543207 170466698 A A 1H-Tetrazol-1-acetic acid O=C(O)Cn1cnnn1 Tox21_113762 -NCGC00016257-10 196704693 tox21-ror-cho-viability-p1 set1 4 2.6603212004 5.3492902199 -6.3492902199 -1 4.9549173134 0.5163812828 0.1663017108 -3.69429898 -6.41099058 -4.55980134 -5.7863137 -4.18255353 -4.94588879 -5.24781511 -9.27498744 -7.22489421 -10.70774185 -7.41247897 0.43497688 -3.9290319 -2.35612776 1.02174425 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-15-1 6009 170465863 F 4-Dimethylaminoantipyrine CN(C)C=2C(=O)N(c1ccccc1)N(C)C=2C Tox21_110333_1 -NCGC00255332-01 196700558 tox21-ror-cho-viability-p1 set1 4 64.4400237781 -11.85307774 0 -11.85307774 4.4494702849 0.9472606611 0.0000118199 0.7496484 0.3956789 -0.57051816 0.24806076 0.50484855 0.44483405 -0.76365381 -1.17840639 0.42095111 -0.9307287 0.8351277 0.09771803 0.53359464 -1.77823454 -10.29423145 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 298-06-6 9274 144211810 F A O,O-Diethyl dithiophosphate CCOP(=S)(S)OCC Tox21_301493 -NCGC00254144-01 196699733 tox21-ror-cho-viability-p1 set1 4 1.51743198 2.67657027 0.28574363 1.06365565 2.73898662 2.47555645 -0.73067508 2.35346956 0.03894625 1.89416371 0.22500532 0.04213868 0.20405044 -1.2323409 -1.314797 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-87-3 7411 144210491 A Bc Benzal chloride ClC(Cl)c1ccccc1 Tox21_300171 -NCGC00256217-01 196700132 tox21-ror-cho-viability-p1 set1 4 -0.08501177 0.83990786 0.61188838 1.55908248 -5.23021575 2.26110936 0.38020465 0.62867633 -1.41581417 -1.08074488 0.58766301 1.15789125 1.38515331 1.44845219 3.4491559 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6375-27-5 80777 144212530 A C N-(2,5-Dimethoxyphenyl)-3-oxobutanamide COc1ccc(cc1NC(=O)CC(C)=O)OC Tox21_302213 -NCGC00255861-01 196700135 tox21-ror-cho-viability-p1 set1 4 1.14937351 1.88716609 1.63045368 2.17145122 5.57281229 2.94451322 -0.06957406 0.76875222 1.4678645 0.29220931 0.46866152 0.79137048 5.1671616 3.67551669 5.14988578 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3724-43-4 77311 144212480 Bc N-(Chloromethylidene)-N-methylmethanaminium chloride [Cl-].C/[N+](C)=C\Cl Tox21_302163 -NCGC00256136-01 196700566 tox21-ror-cho-viability-p1 set1 4 0.0015339689 16.803474028 -17.303474028 -0.5 4.9549173134 0.5986145321 0.0985245447 -14.41956169 1.43209518 2.47120696 0.03761767 -6.30054576 0.43061132 0.27529574 0.86368368 0.21459093 -2.69049496 -6.62114489 -2.42418221 -0.23437864 0.11776732 2.94578828 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 3775-90-4 19601 144212035 A Ac 2-(tert-Butylamino)ethyl 2-methylprop-2-enoate CC(C)(C)NCCOC(=O)C(=C)C Tox21_301718 -NCGC00255773-01 196700567 tox21-ror-cho-viability-p1 set1 4 10.8707224818 -23.5650179359 -4 -27.5650179359 0.5 0.593356374 0.1017353083 -11.30179372 -5.12629524 4.97054418 -7.27973045 -7.2733526 -13.43310538 -9.71596614 -0.65684522 -6.34991564 -8.88569046 -13.69575011 -15.27934625 -20.30404779 -18.75649833 -20.47084828 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6610-29-3 2723853 144212489 Z Ac N-Methylhydrazinecarbothioamide CNC(=S)NN Tox21_302172 -NCGC00256253-01 196700965 tox21-ror-cho-viability-p1 set1 4 76.8805649772 -24.933618452 0 -24.933618452 4.9549173134 0.9346149084 0.0000362617 -1.55124714 1.04012787 1.00294859 -1.76426832 1.44780759 1.16510588 0.10366179 -1.36196333 0.74942203 -0.24934119 0.86318146 -1.37892472 0.98474983 1.08593079 -19.11134871 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 620-40-6 24321 144212656 A A Tribenzylamine C(N(Cc1ccccc1)Cc2ccccc2)c3ccccc3 Tox21_302339 -NCGC00255547-01 196700972 tox21-ror-cho-viability-p1 set1 4 -0.52979657 0.3134918 0.67408868 -0.19196277 -3.7196915 8.96852549 4.14459121 2.81769551 1.61179915 1.10206171 0.62585792 -6.20445963 0.25192827 3.28252372 -4.7949083 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-24-1 66598 144212566 A Bc Ethyl 2-methylbenzoate O=C(OCC)c1ccccc1C Tox21_302249 -NCGC00262575-02 196697629 tox21-ror-cho-viability-p1 set1 4 -1.47027032 -2.35380163 -3.6621728 -4.9938852 -1.92572908 -3.79705112 -3.6314873 -2.9341241 -3.54009111 -3.78007321 -3.53869037 -0.43152431 -3.54868542 -5.78384213 -7.38850539 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 427-51-0 9880 170465682 A Cyproterone acetate CC(=O)[C@@]4(OC(C)=O)CC[C@H]3[C@@H]5C=C(Cl)C2=CC(=O)[C@@H]1C[C@@H]1[C@]2(C)[C@H]5CC[C@@]34C Tox21_111064_1 -NCGC00254559-01 196699245 tox21-ror-cho-viability-p1 set1 4 24.3117693128 -12.352032412 -2 -14.352032412 4.9549173134 0.6912402715 0.0423812228 -7.47292809 -3.08565449 -2.98862717 -5.75826114 -0.28591773 0.70747683 -2.77936427 2.65349157 -0.20626278 0.87683403 -4.10060526 -3.2486142 -4.34981567 -15.71002701 -12.16855729 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 51707-55-2 40087 144210968 A A Thidiazuron O=C(Nc1ccccc1)Nc2cnns2 Tox21_300651 -NCGC00254472-01 196699254 tox21-ror-cho-viability-p1 set1 4 -0.10054169 0.27081025 -0.47724826 0.72375446 0.66749087 -0.36482287 0.72340621 0.34607945 1.52107514 -4.33507011 5.0546439 1.38591721 3.66846139 5.49367344 0.75963949 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3319-31-1 18725 144210931 AC Fns Tris(2-ethylhexyl) trimellitate CCC(CCCC)COC(=O)c1cc(C(=O)OCC(CC)CCCC)c(cc1)C(=O)OCC(CC)CCCC Tox21_300614 -NCGC00254000-01 196699255 tox21-ror-cho-viability-p1 set1 -1.1 24.5259440788 -84.8228138737 -1.844963427 -86.6677773007 4.0949729863 0.9928123194 1E-10 -1.58447782 1.13752982 -3.75136016 -1.628539 -0.25970374 -1.46942446 2.9784535 -1.90205569 -4.31453716 -4.35732881 -1.93128697 -7.43977459 -17.01008338 -75.21881043 -85.47118077 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 54965-24-1 2733525 144210594 A A Tamoxifen citrate O=C(O)C(O)(CC(=O)O)CC(=O)O.CN(C)CCOc1ccc(cc1)/C(c2ccccc2)=C(/CC)c3ccccc3 Tox21_300274 -NCGC00160444-02 196697609 tox21-ror-cho-viability-p1 set1 4 -3.6173259 -3.5567205 -7.43290723 -5.42917011 -5.52594804 0.18997956 -2.37915753 -4.03306665 1.80633464 -0.49707642 -2.88484224 1.10190514 -3.41785437 -0.45117223 -1.72075916 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 671-95-4 69594 170466058 A Clofenamide O=S(N)(=O)c1cc(ccc1Cl)S(N)(=O)=O Tox21_111814_1 -NCGC00090708-05 196697620 tox21-ror-cho-viability-p1 set1 -1.1 6.8589621897 -78.8723162926 -3.915298588 -82.7876148806 3.1924983358 0.9871485221 3.6E-9 -4.6008314 -0.45629372 -4.40786776 -0.82185878 -5.78971082 -4.43767215 -3.35820449 -0.51606783 -14.72954847 -0.85730022 -13.68478814 -57.76582949 -76.29881686 -84.13375496 -81.44974722 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00018223-06 196697621 tox21-ror-cho-viability-p1 set1 -3 26.6032120037 -40.1542086599 1 -39.1542086599 4.5044702849 0.981715006 2.84E-8 2.59159513 2.46353865 1.09406619 -1.40559745 0.58239507 -0.52726403 0.90265785 0.89821237 2.57528171 0.18453692 2.0916443 -0.66943769 -1.31481339 -8.450792 -35.96184055 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13636-18-5 5702162 170466175 A Fendiline hydrochloride Cl.CC(NCCC(c1ccccc1)c2ccccc2)c3ccccc3 Tox21_111351_1 -NCGC00182047-03 196697258 tox21-ror-cho-viability-p1 set1 4 -1.60413148 -0.1463046 -2.70464757 -2.26827472 -4.83515196 -1.81338486 1.58207106 1.77759478 0.24886274 -3.8079773 1.70693109 -0.07276345 -0.05610763 2.19047412 0.83432127 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21679-14-1 657237 170464764 F Fludarabine phosphate Nc3nc(F)nc2c3ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O Tox21_113419_1 -NCGC00063561-03 196697259 tox21-ror-cho-viability-p1 set1 4 -0.03448929 0.57274767 3.68629399 -2.40266565 -3.55116329 -1.26367323 0.55802321 1.22782041 -1.90914746 -0.1843835 -1.54588817 -0.85281753 -0.91583121 -1.49988474 -5.90232473 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 668-94-0 69588 170465946 A 4,5-Diphenylimidazole c1ccc(cc1)c2ncnc2c3ccccc3 Tox21_110979_1 -NCGC00182061-03 196697261 tox21-ror-cho-viability-p1 set1 4 -0.96884401 6.70355191 0.99195709 -2.28395116 -0.48253093 0.67953851 0.29359519 0.00561933 5.18746911 -0.16093842 0.54067111 -1.540404 0.18624653 0.60004578 1.33589431 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 20684-06-4 68549 170466079 A Bamifylline Hydrochloride Cl.CCN(CCO)CCn2c3C(=O)N(C)C(=O)N(C)c3nc2Cc1ccccc1 Tox21_113133_1 -NCGC00163906-02 196697264 tox21-ror-cho-viability-p1 set1 4 -2.58235396 1.07993953 -0.90017288 0.09471149 -2.04310925 -0.79090146 -1.93081323 -1.85796457 -2.76474857 -2.61261327 -1.27450897 -1.44973371 0.626668 -1.72326422 1.13182632 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00188943-03 196697269 tox21-ror-cho-viability-p1 set1 4 -0.20367101 -1.38681 -2.47270698 -2.58604945 1.159632 0.61214722 -0.42965812 -1.2148889 -4.54336702 -0.70590442 -1.91525451 0.36497749 -0.57358514 -1.13762621 -0.37860669 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 65-86-1 967 170465761 A Orotic acid OC(=O)c1cc(O)nc(O)n1 Tox21_111121_1 -NCGC00016008-04 196697277 tox21-ror-cho-viability-p1 set1 4 1.59908873 0.12262148 1.61053475 3.69993299 1.70074094 1.12228539 2.83614676 1.61352683 1.35520112 0.15677372 1.97691706 3.93234112 1.85848897 0.49430003 -0.71511891 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56-34-8 5946 170466200 F Tetraethylammonium chloride [Cl-].CC[N+](CC)(CC)CC Tox21_111281_1 -NCGC00241104-02 196698599 tox21-ror-cho-viability-p1 set1 4 -1.75502225 -0.27280547 0.01314147 0.14606962 0.218567 0.12698535 0.82783054 -1.90054642 -1.37016348 -0.00513289 -0.86901656 0.8956231 5.25316892 -1.26843671 -4.65025155 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 285983-48-4 156422 170466618 A Doramapimod CC(C)(C)c4cc(NC(=O)Nc3ccc(OCCN1CCOCC1)c2ccccc23)n(n4)c5ccc(C)cc5 Tox21_113386_1 -NCGC00255556-01 196700651 tox21-ror-cho-viability-p1 set1 4 17.2289340586 7.867390372 -0.367390372 7.5 1.6266150999 0.6510878932 0.064842124 -5.72282531 0.50082687 0.46640494 0 1.16303006 1.60349344 0.71428133 -0.87290693 -0.75753918 1.62258973 0.08049915 0.80453458 3.24910492 7.00581439 6.31194675 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 129-06-6 16204922 144211862 A A Sodium warfarin [Na+].CC(=O)CC(C1=C([O-])c2ccccc2OC1=O)c3ccccc3 Tox21_301545 -NCGC00168342-02 196698606 tox21-ror-cho-viability-p1 set1 4 -1.10645323 1.35682368 -3.89325297 -2.29489503 -4.22396653 1.90031093 -2.20954167 -1.50903295 1.53304512 1.03415548 -5.35511956 -0.46172925 1.94573197 1.41435347 -0.2813716 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00091759-02 196698596 tox21-ror-cho-viability-p1 set1 4 48.5577336745 -17.531576412 0 -17.531576412 2.7202212143 0.8976085122 0.0003683262 0.06668735 -0.3587969 0.49141798 0.43904169 -3.65050228 2.76907245 0.25446798 1.2456824 1.05739141 1.19452692 -0.74461329 -0.54218754 -0.3824223 -7.18185764 -14.60964701 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00181767-03 196698603 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -21.202568232 2 -19.202568232 4.5044702849 0.8329341608 0.0036985482 1.43432054 2.56141605 1.38384249 3.38022378 4.08806771 -0.49715371 0.85162738 6.52636101 0.29747613 1.45428513 0.73960349 2.94423597 -1.64716334 0.11408953 -15.16880686 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 134308-13-7 4659569 170465081 A Tolcapone Oc1cc(cc([N+]([O-])=O)c1O)C(=O)c2ccc(C)cc2 Tox21_112963_1 -NCGC00254856-01 196699011 tox21-ror-cho-viability-p1 set1 4 -0.28631843 2.32419638 0.11981643 0.46130341 0.36639669 0.87867373 1.46624144 0.89528835 0.68088447 2.07397226 0.92139833 0.20456654 1.21723627 -4.53980742 0.44015784 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1852-04-6 15816 144211271 A A Undecanedioic acid O=C(O)CCCCCCCCCC(=O)O Tox21_300954 -NCGC00254045-01 196699020 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -72.1509907065 0.9227215799 -71.2282691266 4.9549173134 0.9889163907 1.5E-9 1.90721996 1.35211948 0.21898359 -0.24609114 -0.68550361 1.17221914 2.44657334 -1.44177318 -1.27097588 1.18826239 -0.52517719 2.65511029 0.07893223 -1.05503126 -58.11767391 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-15-9 6629 144210603 D Cumene hydroperoxide OOC(C)(C)c1ccccc1 Tox21_300283 -NCGC00090776-02 196699022 tox21-ror-cho-viability-p1 set1 4 -0.53474418 -2.8543468 -3.6119698 -3.53852954 0.23462163 0.59917161 -1.07209947 0.35952963 -1.02643679 -0.07122439 0.65555157 -5.73444057 -10.17002785 0.98608912 2.6659277 1.164E-9 2.6039999999E-9 5.822E-9 1.302E-8 2.911E-8 6.509E-8 1.4549999999E-7 3.255E-7 7.2769999999E-7 0.0000016269999999 0.000003639 0.000008136 0.00001819 0.00004068 0.000090969999999 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00254916-01 196699024 tox21-ror-cho-viability-p1 set1 4 -2.50891845 1.23912048 -2.85567357 1.23055289 -0.63338088 -0.30583102 0.0752943 -0.2665491 -0.60504562 -0.16146897 -2.19227151 0.16120078 -2.16618853 1.62307492 1.09244293 1.087E-9 2.431E-9 5.436E-9 1.215E-8 2.718E-8 6.077E-8 1.359E-7 3.039E-7 6.794E-7 0.0000015189999999 0.000003397 0.000007596 0.000016989999999 0.000037979999999 0.00008493 609-54-1 11868 144211331 A A 2,5-Dimethylbenzenesulfonic acid Cc1ccc(C)cc1S(O)(=O)=O Tox21_301014 -NCGC00254432-01 196699026 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -31.015276044 2 -29.015276044 4.9549173134 0.9424218497 0.0000182346 2.20464034 -0.96057723 1.87114869 3.74210489 1.5241574 1.53461291 -1.24008298 2.78703946 2.37126356 0.55500657 4.30936506 3.74435482 1.52267094 1.02094596 -23.34606337 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5315-79-7 21387 144210934 A A 1-Hydroxypyrene Oc4ccc1ccc2cccc3ccc4c1c23 Tox21_300617 -NCGC00253982-01 196699029 tox21-ror-cho-viability-p1 set1 4 -0.89950376 -0.12322455 -0.50908077 -4.0870552 5.3415884 -4.26984568 1.95691063 1.87648194 2.09235925 0.75732113 -6.82891661 0.53454228 2.09311676 -9.31257933 -0.13116939 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 298-46-4 2554 144210515 A A Carbamazepine NC(=O)N2c3ccccc3C=Cc1ccccc12 Tox21_300195 -NCGC00254174-01 196699033 tox21-ror-cho-viability-p1 set1 4 -0.02654764 -6.45814072 -3.69865086 -2.92556695 -0.33269905 -4.82399167 -0.15718223 -2.11532115 -3.94039343 -6.59637735 -3.85792504 -4.57249862 -4.19316091 -2.00295792 -3.53738376 1.103E-9 2.466E-9 5.515E-9 1.233E-8 2.758E-8 6.166E-8 1.3789999999E-7 3.083E-7 6.894E-7 0.000001542 0.0000034469999999 0.000007708 0.000017239999999 0.00003854 0.00008618 433212-21-6 16654936 144210579 A A SAR 150640 Cl.CS(=O)(=O)Nc1cc(ccc1O)OC[C@@H](O)CN[C@H]2CC[C@@H](CC2)c3ccc(cc3)C(=O)OCC Tox21_300259 -NCGC00259313-01 196709243 tox21-ror-cho-viability-p1 set2 4 6.08397621 0.39072415 -4.08485127 0.25383081 2.25130538 0.34731126 2.71412995 0.19355217 -3.40014041 0.14956591 -1.57719092 2.98432899 2.53030611 4.94859737 4.67345485 1.156E-9 2.585E-9 5.781E-9 1.293E-8 2.891E-8 6.464E-8 1.4449999999E-7 3.232E-7 7.227E-7 0.000001616 0.000003613 0.0000080799999999 0.000018069999999 0.0000404 0.00009033 529-20-4 10722 144208962 A Ac 2-Tolualdehyde Cc1ccccc1C=O Tox21_201764 -NCGC00259600-01 196709234 tox21-ror-cho-viability-p1 set2 4 1.39859775 0.87917458 2.99534775 1.05831798 0.05114046 -0.23171794 -1.89892134 -0.24483746 -2.64168469 2.490374 0.26901695 1.66522203 2.73913902 1.07508674 0.53671297 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.0000036909999999 0.000008252 0.000018449999999 0.000041259999999 0.00009226 122-40-7 31209 144209249 A A Pentylcinnamaldehyde O=CC(CCCCC)=Cc1ccccc1 Tox21_202051 -NCGC00259166-01 196709655 tox21-ror-cho-viability-p1 set2 4 -0.69298503 -1.49427918 -1.81420033 -2.92872865 2.74635631 1.12096724 1.42923757 3.81277919 1.48897793 3.09671097 2.84891498 2.9235169 4.48367069 3.78261457 2.41094017 1.19E-9 2.661E-9 5.95E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003719 0.000008315 0.00001859 0.00004158 0.00009297 62-73-7 3039 144208815 D Dichlorvos COP(=O)(OC)O\C=C(\Cl)Cl Tox21_201617 -NCGC00259814-01 196709656 tox21-ror-cho-viability-p1 set2 4 0.34832266 0.74938693 -8.30916637 -13.27946568 -0.75735843 0.43254681 -0.34235848 0.33291924 0.98040953 -0.67114876 -0.27936854 1.21216525 1.20514396 -6.85859354 0.90936222 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.586E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009204 127-69-5 5344 144209463 A A Sulfisoxazole Cc2c(NS(=O)(=O)c1ccc(N)cc1)onc2C Tox21_202265 -NCGC00256203-01 196710493 tox21-ror-cho-viability-p1 set2 4 1.24906275 -3.83967543 0.00701503 0.23801187 -0.17564698 0.17951004 1.03178955 1.21648873 -0.9018765 -0.9960631 -0.24443786 -0.04115634 0.43519739 1.21402155 5.03377655 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 470-99-5 79016 144212661 C F 3,5,5-Trimethyl-2-cyclohexen-1-ol CC1(C)CC(C)=CC(O)C1 Tox21_302344 -NCGC00259721-01 196709658 tox21-ror-cho-viability-p1 set2 4 -1.06821704 -2.66994846 0.57490474 -10.36463688 0.05131726 -0.20014052 0.56648798 -0.07726417 -1.83949559 -0.00890818 0.04154791 1.04618508 0.94112159 1.9741989 0.59241443 1.1699999999E-9 2.6159999999E-9 5.851E-9 1.3079999999E-8 2.925E-8 6.5409999999E-8 1.463E-7 3.271E-7 7.3129999999E-7 0.000001635 0.000003657 0.000008176 0.00001828 0.00004088 0.00009141 24851-98-7 102861 144209370 A A Methyl dihydrojasmonate COC(=O)CC1CCC(=O)C1CCCCC Tox21_202172 -NCGC00164077-02 196710070 tox21-ror-cho-viability-p1 set2 4 1.71962659 -0.04755483 3.2475028 -1.44901497 1.3967019 -0.42012327 0.31219937 0.25952954 -0.06576907 -4.84164714 0.47666264 0.89846986 0.04625863 0.7980436 -4.29428661 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00256193-01 196710486 tox21-ror-cho-viability-p1 set2 4 2.41694034 -0.25303135 3.92742287 -0.52983227 1.17086409 0.70469606 0.15869675 1.75094919 -0.70397655 0.77642825 -0.76797673 -1.90420845 0.91449182 1.9182843 3.01246784 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 610-96-8 11895 144212331 A A Methyl 2-chlorobenzoate Clc1ccccc1C(=O)OC Tox21_302014 -NCGC00094521-05 196710494 tox21-ror-cho-viability-p1 set2 4 2.22026458 -3.06311853 -1.27015225 -0.23088019 0.45248342 -3.20817752 -5.14571064 -1.33872148 -4.20602567 -3.39914743 -1.65749328 1.79656063 -1.74257552 1.29720822 -10.01879296 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00255133-01 196710900 tox21-ror-cho-viability-p1 set2 4 0.1535530364 4.795573616 -3.795573616 1 3.1319983358 0.3286599353 0.3577744461 -7.13182369 -0.48851739 -7.32964468 -0.17117526 0.10112422 -7.19017053 -0.26728433 -0.61769138 3.22193604 3.80529726 1.30062791 2.24064422 -4.64374475 -0.16350105 -7.38089381 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22232-54-8 31072 144212637 A A Carbimazole S=C1N(C=CN1C)C(=O)OCC Tox21_302320 -NCGC00256109-01 196710903 tox21-ror-cho-viability-p1 set2 4 0.685896219 3.575406096 -1.575406096 2 4.9549173134 0.4257947564 0.2677597143 -3.64485908 -4.22950508 -0.80051595 0.10493472 -2.660083 -0.30788736 -0.62182729 -2.22906911 0.19820799 7.31989289 2.70905526 3.23576877 -1.06747676 -0.91718852 -3.33544298 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2705-87-5 17617 144212099 A Ac Prop-2-en-1-yl 3-cyclohexylpropanoate O=C(CCC1CCCCC1)OCC=C Tox21_301782 -NCGC00357160-01 196711308 tox21-ror-cho-viability-p1 set2 4 0.0086349218 5.7273620039 -3.7273620039 2 3.9899729863 0.3523269295 0.3198626289 -3.52280167 -2.94925063 -3.38331805 1.77430787 5.20588521 2.57353729 6.69282427 1.10564826 1.5571168 -3.4966141 1.77457936 6.5110564 -0.69605976 -2.95334935 4.70860609 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10416-59-8 25248 251919840 F N,O-bis(Trimethylsilyl)acetamide C[Si](C)(C)OC(\C)=N/[Si](C)(C)C Tox21_303908 -NCGC00357174-01 196711314 tox21-ror-cho-viability-p1 set2 2.4 68.5896218971 24.466589732 1.533410268 26 0.9999999999 0.76439867 0.0155669141 2.69403439 -0.11741353 2.07287792 1.9651915 -0.46585841 2.68207784 -0.18263298 4.49668432 2.09828607 4.52030553 3.3548991 -2.47215811 7.46466513 8.78086434 19.7321885 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21679-31-2 91759531 251919886 F Chromium(III) acetylacetonate C\C(=[O+]\[Cr](\[O+]=C(\C)[CH-]C(C)=O)\[O+]=C(\C)[CH-]C(C)=O)[CH-]C(C)=O Tox21_303935 -NCGC00356989-01 196711317 tox21-ror-cho-viability-p1 set2 4 -12.09989852 -3.14202798 -40.68594748 -16.16086887 -13.70257499 0 -9.35170101 -4.86308672 0 0 0 -5.10775 0 -23.57788163 -0.60116224 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52663-68-0 40475 251919985 Fns 2,2',3,4',5,5',6-Heptachloro-1,1'-biphenyl Clc2c(c1cc(Cl)c(Cl)cc1Cl)c(Cl)c(Cl)cc2Cl Tox21_303787 -NCGC00260055-01 196712112 tox21-ror-cho-viability-p1 set2 4 -4.60888434 -5.95798684 -10.07093716 -18.84212396 -0.97436233 -12.54455397 -5.63581877 -15.22967226 -17.50008561 -3.31874357 -12.28668023 -14.23517291 0 0.99811722 -3.23532949 1.2279999999E-9 2.7469999999E-9 6.142E-9 1.3729999999E-8 3.071E-8 6.8669999999E-8 1.535E-7 3.4329999999E-7 7.677E-7 0.000001717 0.000003839 0.0000085829999999 0.00001919 0.00004292 0.00009596 109-89-7 8021 144209704 Fns Diethylamine CCNCC Tox21_202506 -NCGC00357279-01 196711681 tox21-ror-cho-viability-p1 set2 3 68.5896218971 39.3714710521 2.6285289479 42 3.5722481694 0.9559223534 0.0000042228 -0.30955921 2.31580704 2.43727268 3.48355292 -0.26304747 5.02932653 3.33502431 2.22196719 2.56952306 4.9446894 1.25855389 4.99278119 2.84615176 8.02644844 31.90119737 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-01-0 1127 251919825 Fns Tetrahydrothiophene C1CCCS1 Tox21_304026 -NCGC00357268-01 196712090 tox21-ror-cho-viability-p1 set2 4 0.0230998802 -11.070367688 1 -10.070367688 4.9549173134 0.5068240122 0.1888127879 2.75363959 -1.2897993 1.34176418 -1.54373635 -0.40733538 3.42837238 -14.4980471 -13.99131943 -2.94812477 -15.98220754 -1.63992957 -20.05863974 -10.37718711 -3.04398423 8.36957978 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 3634-83-1 19262 251919746 F 1,3-Bis(isocyanatomethyl)benzene O=C=N\Cc1cccc(C/N=C=O)c1 Tox21_303869 -NCGC00260144-01 196712093 tox21-ror-cho-viability-p1 set2 4 19.033030362 -24.944849812 -2.5 -27.444849812 2.4063783767 0.538101584 0.1451149208 1.83205574 3.2583934 -2.03666968 2.34223608 0.21878859 -0.68406457 -1.47418609 -13.36081193 -14.63673728 -10.42205299 -1.98275159 3.60330538 0 -20.27046427 -23.70404151 5.9509999999E-10 1.3309999999E-9 2.9759999999E-9 6.6539999999E-9 1.488E-8 3.327E-8 7.4389999999E-8 1.663E-7 3.719E-7 8.3169999999E-7 0.00000186 0.000004158 0.0000092989999999 0.00002079 0.00004649 59536-65-1 158629 144209794 F F Polybrominated biphenyls (PBB) Brc2ccc(c1cc(Br)c(Br)c(Br)c1)c(Br)c2Br Tox21_202596 -NCGC00091586-02 196712505 tox21-ror-cho-viability-p1 set2 4 0.08394972 1.45994673 -1.59009565 -2.94577574 1.76075094 -1.10029906 -3.87948394 0.81064287 -0.05679345 -2.40751192 -0.53534802 -1.11811607 -0.28774934 -1.97010826 0.32315731 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00166203-02 196712515 tox21-ror-cho-viability-p1 set2 4 -5.22629145 -3.69853748 -6.21860054 2.96069314 -3.62177644 1.92322553 1.20100725 -0.41828403 0.95782942 1.71462608 1.16640067 -4.71066622 0.71532937 -4.47880794 -1.01788291 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1715-40-8 15583 170466531 F Bromociclen ClC2(Cl)C1(Cl)CC(CBr)C2(Cl)C(Cl)=C1Cl Tox21_112345_1 -NCGC00259870-01 196709210 tox21-ror-cho-viability-p1 set2 4 1.09363264 -1.0990118 0.43905802 0.57642396 -0.45479877 0.34836303 0.23192352 3.35249588 2.39226045 0.32827552 -0.36490794 2.4705615 3.0322779 0.55346895 0.0851447 1.1919999999E-9 2.6649999999E-9 5.959E-9 1.332E-8 2.979E-8 6.662E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.0000016659999999 0.000003724 0.0000083279999999 0.00001862 0.00004164 0.00009311 25265-71-8 6537503 144209519 I A Dipropylene glycol CCC(O)OC(O)CC Tox21_202321 -NCGC00259793-01 196708387 tox21-ror-cho-viability-p1 set2 -2.1 69.6079639938 -94.0504400543 -0.796260478 -94.8467005323 2.7202212143 0.9938793233 0 -1.22973291 -4.19934196 -2.25919709 -2.30776809 -0.14471769 -0.71579267 -0.52443078 -0.01608092 -0.51522303 -0.91543524 0.04843771 -0.12670259 -3.05694204 -36.78551783 -77.91416707 1.593E-9 3.5609999999E-9 7.963E-9 1.781E-8 3.982E-8 8.903E-8 1.991E-7 4.452E-7 9.9539999999E-7 0.000002226 0.000004977 0.00001113 0.00002488 0.000055639999999 0.0001244 13029-08-8 25622 144209442 A A 2,2'-Dichlorobiphenyl Clc2ccccc2c1ccccc1Cl Tox21_202244 -NCGC00259057-01 196708807 tox21-ror-cho-viability-p1 set2 4 33.9920544223 -23.35796618 3.5 -19.85796618 1.713743691 0.8981228451 0.642910066 4.77541472 -0.91763241 5.74103579 4.23304528 3.68776034 4.19528177 -64.55174306 5.9304089 4.054088 0.71074968 0.85372822 -0.11234437 0 -10.2787646 -16.54830515 1.1689999999E-9 2.615E-9 5.8469999999E-9 1.3069999999E-8 2.9239999999E-8 6.537E-8 1.462E-7 3.269E-7 7.309E-7 0.0000016339999999 0.0000036549999999 0.000008172 0.00001827 0.00004086 0.000091359999999 98319-26-7 57363 144208704 A A Finasteride CC(C)(C)NC(=O)[C@H]4CC[C@@H]3[C@]4(C)CC[C@H]1[C@H]3CC[C@H]2NC(=O)C=C[C@]12C Tox21_201506 -NCGC00259664-01 196709207 tox21-ror-cho-viability-p1 set2 4 -1.82228355 -4.26545851 -4.61094185 3.22015636 -3.42812639 -2.9025185 -5.1804212 -0.28883312 -0.39327807 -2.99898374 -1.79923923 -5.31155306 -1.141227 -6.24564956 -2.43990265 1.202E-9 2.6889999999E-9 6.0119999999E-9 1.344E-8 3.006E-8 6.722E-8 1.503E-7 3.361E-7 7.516E-7 0.0000016809999999 0.000003758 0.000008403 0.000018789999999 0.00004201 0.00009394 95-76-1 7257 144209313 A A 3,4-Dichloroaniline Nc1cc(Cl)c(Cl)cc1 Tox21_202115 -NCGC00259366-01 196709215 tox21-ror-cho-viability-p1 set2 4 1.65467228 0.77236684 -0.25263581 1.48888678 1.41133491 0.2656413 1.21532491 2.31591896 1.01100253 -0.23948096 2.90430901 -0.33993048 5.53181797 0.0996823 -0.16381391 1.167E-9 2.609E-9 5.835E-9 1.305E-8 2.917E-8 6.524E-8 1.459E-7 3.262E-7 7.294E-7 0.000001631 0.0000036469999999 0.0000081549999999 0.00001823 0.00004077 0.00009117 2303-17-5 5543 144209015 A A Tri-allate Cl/C(Cl)=C(\Cl)CSC(=O)N(C(C)C)C(C)C Tox21_201817 -NCGC00259546-01 196709224 tox21-ror-cho-viability-p1 set2 4 -0.87652468 -1.93581511 -1.02833489 0.32781154 -1.46710426 -1.83636534 -1.31795267 -0.76290654 -0.40874115 1.41221352 -1.57404344 -0.53059811 3.90333286 2.02266109 0.54936865 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.968E-8 6.6359999999E-8 1.484E-7 3.318E-7 7.4189999999E-7 0.000001659 0.000003709 0.000008295 0.00001855 0.000041469999999 0.00009274 25812-30-0 3463 144209195 A A Gemfibrozil O=C(O)C(C)(C)CCCOc1cc(C)ccc1C Tox21_201997 -NCGC00090874-04 196709619 tox21-ror-cho-viability-p1 set2 4 27.6395842712 -13.778431328 0.5 -13.278431328 4.9549173134 0.7080419992 0.0433246592 1.00424697 -1.81698642 -0.81093162 -0.44427022 4.8272375 -0.7606354 -2.35739126 2.61111642 -1.91849187 -0.39443296 0.30756172 3.4480271 2.00228704 -13.56535944 -3.79730003 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00091775-03 196720690 tox21-ror-cho-viability-p1 set3 4 38.4531352514 -25.2669134599 3 -22.2669134599 0.7 0.6872947771 0.0440915233 3.99190656 3.29958365 4.82644694 10.65998808 -0.48206697 -5.45383403 0.4103918 3.32007023 2.56236257 -2.55847506 -0.91033899 -4.37696462 -3.73161172 -7.81908912 -16.88909455 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00255072-01 196720260 tox21-ror-cho-viability-p1 set3 4 15.2616579691 -24.933078768 20 -4.933078768 0.7999999999 0.5732653058 0.1167007486 4.87532508 24.65759573 18.15850631 30.50487538 23.99775084 16.8101202 21.15167864 25.7530175 12.569118 13.97425432 13.11044343 15.47700665 3.53274318 3.82109666 -0.77756564 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 107-75-5 7888 144211491 A A 7-Hydroxy-3,7-dimethyloctanal O=CCC(C)CCCC(C)(C)O Tox21_301174 -NCGC00253920-01 196720271 tox21-ror-cho-viability-p1 set3 4 0.0034376243 19.989459064 -19.489459064 0.5 0.5 0.6653110822 0.0556427739 -11.94113181 -14.57454922 -3.06434886 -4.17464621 -6.26248742 -6.40198373 0.22486826 -1.29620571 -4.62366082 2.28325954 -3.35903391 2.22887461 0.6407264 -2.27232377 3.51455669 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-37-8 7497 144210357 AC F N,N-Diethylethanolamine CCN(CC)CCO Tox21_300037 -NCGC00254491-01 196720687 tox21-ror-cho-viability-p1 set3 4 0.0086349218 6.3532282639 -0.3532282639 6 4.9549173134 0.3927232013 0.296794 5.03439724 -3.62769022 -2.68804257 7.61393385 3.6940957 11.33368791 2.79111453 1.37074105 4.97233278 4.72270641 9.91041644 8.25536 5.83112209 6.25492469 -1.86313742 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107534-96-3 86102 144210805 A A Tebuconazole OC(Cn1cncn1)(CCc2ccc(Cl)cc2)C(C)(C)C Tox21_300487 -NCGC00254413-01 196720692 tox21-ror-cho-viability-p1 set3 4 6.94235303 6.28689581 14.94576048 6.3881199 4.65178926 8.21681228 6.33288081 -2.73344744 -4.14921048 -0.61701637 1.53798167 2.99602636 11.93246287 7.08150196 0.64574164 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5915-41-3 22206 144210907 A A Terbutylazine Clc1nc(NCC)nc(NC(C)(C)C)n1 Tox21_300590 -NCGC00016241-10 196716938 tox21-ror-cho-viability-p1 set2 4 0.1496008549 11.051204916 -10.051204916 1 0.7 0.8556602184 0.0019120151 -8.98174289 -10.45933743 -10.27200336 -8.42744743 -8.59508406 -6.02274858 -3.30409018 -9.49101104 -1.23504627 -0.98574224 -0.20713618 -0.97927657 0.75654159 1.3167113 0.38354957 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54-31-9 3440 170464879 A Furosemide NS(=O)(=O)c2cc(c(NCc1ccco1)cc2Cl)C(=O)O Tox21_110322_1 -NCGC00257778-01 196716529 tox21-ror-cho-viability-p1 set2 4 0.0895770963 -10.941842516 9 -1.941842516 0.2 0.5334715131 0.1531591389 4.80336523 9.07251058 3.87526228 3.5323353 0.81917052 3.38464702 4.5174837 1.71095592 5.12672414 2.05353745 1.07297797 0.57654694 1.36908131 1.19636504 -1.20153543 1.474E-9 3.2969999999E-9 7.372E-9 1.648E-8 3.6859999999E-8 8.2419999999E-8 1.8429999999E-7 4.121E-7 9.214E-7 0.0000020599999999 0.000004607 0.0000103 0.00002304 0.000051509999999 0.0001152 9005-07-6 5378708 144207422 D Polyethylene glycol dioleate O=C(CCCCCCC/C=C\CCCCCCCC)OCCOC(=O)CCCCCCC/C=C\CCCCCCCC Tox21_200224 -NCGC00090701-06 196716928 tox21-ror-cho-viability-p1 set2 4 5.4482673282 8.395028256 -5.395028256 3 0.4 0.4298824468 0.2458281475 -9.49585688 -1.1072193 -3.01865346 -7.4591121 -0.61867493 -8.5295424 -1.8177768 -5.64138676 -1.51595299 -1.86672417 -1.92016438 -1.64582912 0.14606983 0.96374719 1.21467627 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00015409-11 196716929 tox21-ror-cho-viability-p1 set2 4 3.21395559 0.50023847 0.14561541 0.66018849 3.82096683 4.51916979 3.77232526 7.49893942 -0.45121863 4.58885074 0.8026211 -1.23174705 -2.63756727 3.47895965 0.52188974 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 116-38-1 8307 170464801 Z Edrophonium chloride [Cl-].C[N+](C)(CC)c1cccc(O)c1 Tox21_110138_1 -NCGC00249898-01 196716939 tox21-ror-cho-viability-p1 set2 4 -3.76693152 -2.36277784 -1.92490212 1.61078223 -2.08521136 -0.94334743 -1.37350366 2.77529686 0.40265325 -1.81485315 -0.43043377 -2.74606515 -1.83521535 -0.26754851 -1.24054164 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 81632-85-1 23664290 170465549 Ac F Sodium 3, 4-dimethylphenyl-glyoxylate [Na+].Cc1ccc(cc1C)C(=O)C([O-])=O Tox21_113674 -NCGC00016337-05 196716946 tox21-ror-cho-viability-p1 set2 4 0.2984929481 9.373818264 -8.373818264 1 4.9549173134 0.6717566748 0.0520574768 -3.45614203 -11.10765752 -11.17117444 -12.81151522 -2.59792412 -9.97118316 -4.01921911 -11.91955757 -0.74235868 0.33454477 -1.19651073 0.00148586 0.63010717 4.78360907 1.30439881 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 85-73-4 4806 170466178 A Phthalylsulfathiazole O=S(=O)(Nc1nccs1)c3ccc(NC(=O)c2ccccc2C(=O)O)cc3 Tox21_110380_1 -NCGC00164622-02 196717341 tox21-ror-cho-viability-p1 set2 4 -4.64637719 -7.37377876 -2.36578871 -1.87114564 -0.38841814 -0.6657805 -3.68959773 0.33474565 -0.74617146 -2.86746559 0.51122424 2.48844523 0.66640323 -1.05242227 -0.82072463 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 137234-62-9 71616 170464890 A Voriconazole O[C@](Cn1cncn1)([C@@H](C)c2ncncc2F)c3ccc(F)cc3F Tox21_112241_1 -NCGC00168267-02 196705535 tox21-ror-cho-viability-p1 set1 4 0.5302929 -1.46389374 -2.8793353 0.18381064 0.12843762 -2.82492176 0.26652615 -0.11671869 -2.70794509 0.22040794 0.78706695 1.62928472 -0.9382615 -1.66994809 -0.64718877 1.328E-9 2.9689999999E-9 6.639E-9 1.4849999999E-8 3.3189999999E-8 7.423E-8 1.66E-7 3.711E-7 8.2989999999E-7 0.000001856 0.000004149 0.000009278 0.00002075 0.00004639 0.0001037 50505-92-5 60196332 144206427 A A R-(-)-2,5-Dimethoxy-4-bromoamphetamine hydrochloride Cl.COc1cc(C[C@@H](C)N)c(cc1Br)OC Tox21_112874 -NCGC00160422-02 196704262 tox21-ror-cho-viability-p1 set1 4 0.0023710138 9.2086878639 -7.7086878639 1.5 0.7999999999 0.53503323 0.1502295615 -4.90256395 -5.59057322 -1.02060809 -2.43432802 0.28485356 0.01558802 3.97587332 -0.05166585 0.43441998 -2.64212488 -0.1654381 3.68709138 -0.91353397 3.68227941 4.77543629 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 151-06-4 65477 170465307 A Chlorphentermine hydrochloride Cl.Clc1ccc(CC(C)(C)N)cc1 Tox21_111804_1 -NCGC00253596-01 196704276 tox21-ror-cho-viability-p1 set1 4 0.0943917582 -3.2219136439 3 -0.2219136439 4.9549173134 0.3675435883 0.3079761577 2.90224393 2.28482959 3.32167705 1.83814101 3.55724825 3.56506879 2.37066113 -0.35787863 -0.90919313 -1.98259471 -4.76826137 -0.19336613 -0.36668274 0.12056672 5.96002153 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 113-18-8 5284556 170464750 Z A Ethchlorvynol C#CC(O)(/C=C\Cl)CC Tox21_113732 -NCGC00163724-03 196705124 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -10.921527424 0.5 -10.421527424 4.9549173134 0.4421733908 0.2342107075 -0.85602541 -1.48322772 0.47778974 -0.18927174 0.98080635 -0.85094439 4.30161151 -3.56938036 -1.12158572 -0.37303083 7.02852708 -0.87708042 0.85950843 -0.10968734 -8.26793952 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00016626-04 196705125 tox21-ror-cho-viability-p1 set1 4 1.62314832 -1.40342628 0.63787876 2.52130349 -4.02994007 1.47106205 1.78869432 1.62306943 1.28610207 0.6626433 0.0180093 -4.93499917 2.61431435 1.43803204 -0.09616272 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3413-64-7 3083802 170466594 A Mefexamide hydrochloride Cl.CCN(CC)CCNC(=O)COc1ccc(cc1)OC Tox21_111353_1 -NCGC00253740-01 196705135 tox21-ror-cho-viability-p1 set1 4 -0.16258208 0.04977126 2.60031687 0.06979885 2.75782945 2.55591557 0.89118417 -5.23256616 -2.59419204 -2.61077392 3.01104285 2.11030629 0.13317357 2.13755363 6.27201568 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 175481-36-4 219078 170466190 A A Lacosamide CC(=O)N[C@H](COC)C(=O)NCc1ccccc1 Tox21_113857 -NCGC00162288-07 196705547 tox21-ror-cho-viability-p1 set1 4 0.35746912 1.12109232 -2.30263948 -0.11878296 -2.30925082 0.39266176 0.62866994 0.23261324 -1.72987167 0.76735616 -2.03525563 1.04678305 -2.0772286 -1.04941489 -0.1811481 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 99-66-1 3121 170465446 Z Valproic acid sodium salt CCCC(CCC)C(=O)O Tox21_111091_1 -NCGC00094779-05 196705548 tox21-ror-cho-viability-p1 set1 4 -2.11908319 -3.24642474 -1.93832796 -3.11077658 -4.53619801 -8.34629714 -4.30907427 -4.94703552 -7.10681893 -6.47500277 -3.73643693 -1.28504205 -8.65461339 -0.05042257 -0.48688691 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 90-01-7 5146 170465547 Fc Salicyl alcohol OCc1ccccc1O Tox21_111330_1 -NCGC00259726-01 196705952 tox21-ror-cho-viability-p1 set1 4 1.89575911 -7.1719663 -17.22409877 -0.93163933 -7.49082256 -4.34972284 1.35515368 -3.23937454 -0.61118614 -0.81593134 -0.91790942 -10.33806847 -3.28616651 -9.74401637 -3.95556261 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.9479999999E-8 6.591E-8 1.474E-7 3.295E-7 7.369E-7 0.000001648 0.000003684 0.000008239 0.00001842 0.00004119 0.00009211 64092-48-4 16220118 144209375 A A Sodium zomepirac [Na+].Cc2cc(CC([O-])=O)n(C)c2C(=O)c1ccc(Cl)cc1 Tox21_202177 -NCGC00259370-01 196705959 tox21-ror-cho-viability-p1 set1 4 5.32710076 6.4248298 6.27027273 7.00755839 3.68621952 0.27921979 0.32146949 0.46442818 3.81789036 10.30382202 1.28155744 4.83877135 0.31147388 4.14122643 5.96089161 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.9669999999E-8 6.635E-8 1.484E-7 3.318E-7 7.4179999999E-7 0.000001659 0.000003709 0.000008294 0.00001855 0.000041469999999 0.00009273 108-01-0 7902 144209019 A F Dimethylaminoethanol CN(C)CCO Tox21_201821 -NCGC00259639-01 196705963 tox21-ror-cho-viability-p1 set1 4 6.22188954 7.56469418 3.5500204 4.56772957 2.58531724 1.72608039 1.27779547 2.63319751 7.09671716 8.51422908 2.21727103 0.19808032 1.27736567 0.84542918 -1.21066999 1.167E-9 2.609E-9 5.835E-9 1.305E-8 2.917E-8 6.524E-8 1.459E-7 3.262E-7 7.294E-7 0.000001631 0.0000036469999999 0.0000081549999999 0.00001823 0.00004077 0.00009117 470-82-6 2758 144209288 A F 1,8-Cineol CC2(C)OC1(C)CCC2CC1 Tox21_202090 -NCGC00259631-01 196705973 tox21-ror-cho-viability-p1 set1 4 0.004270562 -12.22595174 12 -0.22595174 2.3331733767 0.4788497127 0.1979432517 10.58302081 10.67305304 2.68648829 1.08072634 3.38816191 -3.39462716 -1.02083053 -1.88718914 0.81509933 10.74207566 3.32734789 -3.49982866 -2.18954015 -4.4274283 -4.77162645 1.167E-9 2.61E-9 5.837E-9 1.305E-8 2.918E-8 6.5259999999E-8 1.459E-7 3.2629999999E-7 7.296E-7 0.000001631 0.000003648 0.000008157 0.000018239999999 0.000040789999999 0.0000912 886-50-0 13450 144209280 A A Terbutryn CSc1nc(NCC)nc(NC(C)(C)C)n1 Tox21_202082 -NCGC00259003-01 196706366 tox21-ror-cho-viability-p1 set1 4 4.15593341 3.38657744 -1.37678509 0.89923563 6.00445231 -9.55422001 0.37326045 0.58108352 0.16988867 15.42644461 0.49864575 -0.55092903 0.92631461 1.00547685 3.7643528 1.167E-9 2.609E-9 5.8339999999E-9 1.305E-8 2.917E-8 6.523E-8 1.459E-7 3.261E-7 7.2929999999E-7 0.000001631 0.000003646 0.000008154 0.00001823 0.00004077 0.000091159999999 108-67-8 7947 144208650 AC Fc 1,3,5-Trimethylbenzene Cc1cc(C)cc(C)c1 Tox21_201452 -NCGC00255385-01 196728370 tox21-ror-cho-viability-p1 set3 4 0.0172289341 15.026314588 -5.526314588 9.5 0.3 0.3647642384 0.306191202 -0.15571859 -2.93859549 -0.79907169 4.52462131 0.73730125 6.57834794 9.27100459 1.45318232 7.4619991 -2.21544621 2.06570534 15.55412697 12.1587061 8.22913748 5.95746126 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 643-38-9 69508 144211547 A A 2,3-Quinolinedicarboxylic acid O=C(O)c1cc2ccccc2nc1C(=O)O Tox21_301230 -NCGC00090789-02 196727952 tox21-ror-cho-viability-p1 set3 4 0.21395706 5.27055302 -1.38433262 -0.2513836 0.67438359 -1.99981609 -0.22609797 0.06283311 -4.1137862 -3.80180833 0.30010146 -2.28312527 -0.31644215 -4.24798244 2.92005095 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00255143-01 196727958 tox21-ror-cho-viability-p1 set3 4 7.6958821542 -13.736736248 -3 -16.736736248 3.1319983358 0.6081972284 0.1048931825 0 -3.32235274 -4.31162481 5.12494988 -6.26140745 -6.22118935 -6.49243365 -8.00452939 -3.62634124 5.10469265 -5.84838122 -10.08602427 -18.53061354 -14.78910385 4.86400069 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 38194-50-2 1548887 144211735 A B Sulindac CS(=O)c1ccc(cc1)/C=C3\c2ccc(F)cc2C(CC(=O)O)=C3C Tox21_301418 -NCGC00091163-03 196727968 tox21-ror-cho-viability-p1 set3 4 1.3685428777 -7.38786904 2.5 -4.88786904 2.7202212143 0.424756561 0.2486659146 -4.44316579 5.94142509 -1.55295506 8.59995466 -0.18241594 -2.32797199 8.08949287 8.92628239 -0.87080247 -1.96224672 -2.88318103 -6.5732242 -5.14479278 -5.06781142 -3.41220476 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00255966-01 196728375 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -46.4400418959 3.144743773 -43.2952981229 4.9549173134 0.7388369565 0.0229547741 0.29753529 10.22064164 11.73842296 4.63904718 -5.55158377 -6.83789661 9.51695943 0.35136696 6.11416463 1.96058819 1.5576566 5.53227961 -4.13485686 6.36716043 -35.36670158 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 603-33-8 11774 144212557 A A Triphenylbismuth c1ccccc1[Bi](c2ccccc2)c3ccccc3 Tox21_302240 -NCGC00255536-01 196728377 tox21-ror-cho-viability-p1 set3 4 0.0030167488 5.32579312 -2.32579312 3 4.9549173134 0.5116462942 0.1719191056 -2.05142625 -2.3548276 3.7632722 7.78243181 3.80782812 5.68129579 3.73555684 2.27971506 0.66811757 2.27186842 3.16148212 0.82035804 3.53236637 2.7597471 1.60374638 9.615E-10 2.15E-9 4.807E-9 1.0749999999E-8 2.404E-8 5.3749999999E-8 1.202E-7 2.6869999999E-7 6.0089999999E-7 0.000001344 0.0000030049999999 0.000006719 0.000015019999999 0.00003359 0.00007512 2870-32-8 17880 144211796 Bc C.I. Direct Yellow 12 [Na+].[Na+].O=S([O-])(=O)c3cc(ccc3C=Cc2ccc(/N=N/c1ccc(OCC)cc1)cc2S([O-])(=O)=O)/N=N/c4ccc(OCC)cc4 Tox21_301479 -NCGC00255615-01 196728385 tox21-ror-cho-viability-p1 set3 4 2.83580774 -4.0963558 -3.48295837 7.15561902 8.47481223 -1.54644173 -3.34763142 4.1679605 -1.78907801 -6.45066435 -5.39780541 1.98391653 -3.24140255 9.94052 3.90198861 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 299-86-5 9300 144212579 A A Crufomate Clc1cc(ccc1OP(=O)(NC)OC)C(C)(C)C Tox21_302262 -NCGC00255714-01 196728788 tox21-ror-cho-viability-p1 set3 4 3.43472196 -1.98358127 -2.66665378 -0.9060346 -0.39280978 -0.19490749 2.70695854 -0.51141051 2.90115228 0.41145075 3.10019714 -0.21909011 -4.55299 -3.44671633 -5.09445566 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 53716-50-0 40854 144212700 A A Oxfendazole O=C(OC)Nc1nc2cc(ccc2n1)S(=O)c3ccccc3 Tox21_302383 -NCGC00255610-01 196728791 tox21-ror-cho-viability-p1 set3 4 -6.16322203 -2.15635635 -3.99956599 -1.95156381 -8.2906237 -1.21829518 -1.62901377 -2.56601038 0.00283576 -8.51342074 -1.99326776 0.27712095 -7.06929897 -7.47043763 1.84709148 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7579-36-4 82058 144211596 A A Dibenzyl oxalate O=C(OCc1ccccc1)C(=O)OCc2ccccc2 Tox21_301279 -NCGC00090987-03 196728795 tox21-ror-cho-viability-p1 set3 4 0.0017228934 11.320500184 -9.320500184 2 4.0949729863 0.6035249981 0.0962114626 -7.35041682 0.48946834 2.43615695 -1.01969282 2.17790046 3.09993035 4.92855304 3.4490364 4.18606752 2.50024488 2.56360814 -0.14382296 -1.24540023 -0.8491066 0.90258365 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00255960-01 196728802 tox21-ror-cho-viability-p1 set3 4 12.1971512362 15.9705082039 -1.9705082039 14 2.3331733767 0.5229444908 0.1746605398 0.4562457 -3.20598857 -3.90209992 3.10048373 -9.14209017 -4.68608901 -7.10071851 6.30260106 1.99696898 -3.29174559 4.12681017 -2.44227385 13.44406062 11.60975849 3.69275142 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1892-29-1 15906 144212498 A A 2-Hydroxyethyl disulfide OCCSSCCO Tox21_302181 -NCGC00255115-01 196700531 tox21-ror-cho-viability-p1 set1 -2.1 68.5896218971 -82.5221534861 -2.847567322 -85.3697208081 4.5044702849 0.9878563697 2.6E-9 -1.95530644 -5.69510368 -4.87161451 -4.09631651 -0.16748775 -0.96489799 -3.56173504 -0.02955465 -4.94547166 -2.83777987 -5.88705799 -1.94011313 -2.5735596 -10.59280954 -68.15057207 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 30399-84-9 21859 144212593 A Z Isooctadecanoic acid O=C(O)CCCCCCCCCCCCCCC(C)C Tox21_302276 -NCGC00255537-01 196710464 tox21-ror-cho-viability-p1 set2 4 -6.36493219 -0.97089526 -1.25335843 -1.74547905 -2.18239049 -0.26707699 0.08065006 -0.14710698 0.06465395 2.32581415 -0.21994494 -2.41538969 1.62528855 -1.4521267 -2.33217602 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-27-7 8385 144212516 A A 2,4-Dinitroanisole COc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O Tox21_302199 -NCGC00256213-01 196710050 tox21-ror-cho-viability-p1 set2 4 3.5404923 5.19758424 0.6174318 1.58581727 0.75276758 -0.64190421 3.36157553 3.24550902 -1.20178778 0.38440794 2.55837386 -1.29465403 2.05891568 3.8448843 -1.08814593 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3778-76-5 19604 144211754 A A Todralazine hydrochloride Cl.O=C(OCC)NNc2nncc1ccccc12 Tox21_301437 -NCGC00256159-01 196710449 tox21-ror-cho-viability-p1 set2 4 -1.16277893 3.78837143 3.97560154 -1.03225651 1.79083514 2.01370634 1.89460649 1.94518929 -1.21999706 0.61225884 2.61416037 1.01834091 0.58407029 1.66657897 0.89101522 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 8014-17-3 144211607 Petitgrain oil Tox21_301290 -NCGC00090885-03 196710460 tox21-ror-cho-viability-p1 set2 4 0.0544826733 -3.6619000359 3.5 -0.1619000359 4.9549173134 0.3821725716 0.2940599293 1.34163414 4.76781763 1.10547373 3.35026136 6.93298447 -0.25128744 -1.38552363 0.26344903 -1.34487782 -3.46825003 0.40771244 0.07128197 0.13429331 3.25046868 2.79505795 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00255648-01 196710876 tox21-ror-cho-viability-p1 set2 4 0.44044483 0.24427649 -0.01368751 0.86300404 -0.02522727 0.42515582 0.23492144 -0.78926358 -0.15126415 -1.92039932 -0.8648685 0.75410541 0.39207726 -1.28931182 6.23583358 1.241E-9 2.775E-9 6.2049999999E-9 1.388E-8 3.1029999999E-8 6.9379999999E-8 1.5509999999E-7 3.4689999999E-7 7.7569999999E-7 0.0000017339999999 0.000003878 0.000008672 0.00001939 0.00004336 0.00009696 56-34-8 5946 144212446 A Tetraethylammonium chloride [Cl-].CC[N+](CC)(CC)CC Tox21_302129 -NCGC00255925-01 196710879 tox21-ror-cho-viability-p1 set2 4 2.44729125 2.6631363 0.53094489 1.86556854 2.26537587 4.13908125 0.0735824 3.23325072 3.38701582 -0.54591279 1.71358382 -0.79793234 1.22661678 0.14103589 1.51177176 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 145-39-1 67350 144212255 A A 1-tert-Butyl-3,4,5-trimethyl-2,6-dinitrobenzene O=[N+]([O-])c1c(C)c(C)c(C)c(c1C(C)(C)C)[N+]([O-])=O Tox21_301938 -NCGC00255632-01 196710884 tox21-ror-cho-viability-p1 set2 4 5.04883344 1.76877787 0.21343442 0.89973066 -0.03938644 1.68994906 -0.18419601 -0.26751432 -0.28749084 -0.68521171 0.26794653 -0.66933988 0.3266919 -0.79677321 5.78531014 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7647-15-6 253881 144211660 Sodium bromide [Na+].[Br-] Tox21_301343 -NCGC00256265-01 196710889 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -9.8219959199 0.5 -9.3219959199 4.9549173134 0.7004627093 0.0395306943 4.68223227 0.66172589 0.54233581 -0.06018201 -0.21137987 0.55786492 -0.05004637 1.15906168 0.40022768 0.08355011 0.31653181 -0.37395328 0.17366879 1.62940615 -6.9349966 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 41424-36-6 5067511 144211989 A A 1,3,5-Tribromo-2-methoxy-4-methylbenzene COc1c(Br)c(C)c(Br)cc1Br Tox21_301672 -NCGC00357012-01 196711295 tox21-ror-cho-viability-p1 set2 4 0.0066824247 5.60879506 -0.60879506 5 4.9549173134 0.3603280666 0.3280904827 -1.34066255 -0.11658021 -0.06846725 2.15808488 6.43769001 7.71391667 7.0367931 7.78261772 9.15010536 1.61910166 -0.04354708 0.06121105 1.2086269 7.31270446 -0.02068882 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 36437-37-3 118327 251919801 A 2-(2H-Benzotriazol-2-yl)-6-(butan-2-yl)-4-tert-butylphenol CC(C)(C)c1cc(c(O)c(c1)C(C)CC)n2nc3ccccc3n2 Tox21_303942 -NCGC00260619-01 196711303 tox21-ror-cho-viability-p1 set2 -1.4 0.2113168243 -28.810497176 -3.309280416 -32.119777592 4.9549173134 0.7600833389 0.2230711648 1.29305128 0.06790077 -4.45228137 -8.85154847 -0.27370052 -7.6334431 -4.67390372 -6.28978366 -36.18341427 -4.34787102 -36.82595228 -12.28337196 -41.79975288 -29.79468103 -26.96338519 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49515 144210272 M M NTP Mix117 ER1 5-EQP Tox21_203074 -NCGC00260041-01 196711699 tox21-ror-cho-viability-p1 set2 2.4 68.1016469048 25.1970049359 -0.6970049359 24.5 4.9549173134 0.9310193801 0.0000480605 -0.67681896 -0.83760785 -3.91417078 -2.37962277 0.60853352 -0.61552824 -1.19824766 0.38923678 -0.76474105 -0.01366328 -2.26846723 -0.17336699 1.57025803 -1.04816913 19.95947601 1.173E-9 2.622E-9 5.863E-9 1.311E-8 2.931E-8 6.5549999999E-8 1.466E-7 3.277E-7 7.328E-7 0.0000016389999999 0.000003664 0.000008193 0.00001832 0.000040969999999 0.000091599999999 1306-19-0 14782 144209690 Cadmium oxide [Cd]=O Tox21_202492 -NCGC00257092-01 196707587 tox21-ror-cho-viability-p1 set1 4 -0.72435874 1.02555682 1.08199295 0.08837925 0.48004943 2.32222718 4.09158381 -0.65364949 3.09141009 1.5712834 0.15771881 8.55391679 1.84010344 1.68443386 9.17820501 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-15-6 1110 144213564 A A Butanedioic acid O=C(O)CCC(=O)O Tox21_303247 -NCGC00091284-03 196707570 tox21-ror-cho-viability-p1 set1 4 -0.21487623 4.20391364 3.43179156 3.37496745 1.4373058 3.55956947 -2.33235007 4.19095123 -1.89184193 2.91458213 1.87993775 -1.26919642 2.89300664 -0.50134093 -4.33045587 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00090708-05 196719020 tox21-ror-cho-viability-p1 set2 -1.2 9.6885416101 -38.9825718403 1.736547044 -37.2460247963 3.1319983358 0.9630323086 0.0000015776 0.09485024 0.64946912 1.89323279 5.23416493 -3.75224998 7.2827603 0.39332456 1.35076292 0.37966453 0.80944731 2.28824772 -11.60692687 -36.84671302 -37.98629882 -32.86859557 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00256654-01 196718603 tox21-ror-cho-viability-p1 set2 4 -5.17000101 -10.54413164 -6.32084643 0.73928857 -3.53583911 -9.23724838 -1.032069 -3.3532656 -8.87305828 -7.7002991 -2.47947594 -1.87561521 -1.21773506 -3.246331 1.98596931 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 306-07-0 9373 144212995 A A Pargyline hydrochloride Cl.CN(Cc1ccccc1)CC#C Tox21_302678 -NCGC00256701-01 196718606 tox21-ror-cho-viability-p1 set2 4 -3.16483894 -3.06246847 -0.02478438 -0.53032698 -5.97524085 -2.74923836 -0.40729035 -2.08334129 -3.13956708 -2.31318125 -0.51985618 1.32383819 -2.35198856 1.10860391 -1.52162871 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2592-95-2 75771 144212797 A A 1H-Benzotriazol-1-ol On2nnc1ccccc12 Tox21_302480 -NCGC00090827-04 196719006 tox21-ror-cho-viability-p1 set2 4 -2.24375702 -0.77804967 -2.8810049 -1.62327434 -10.4337291 -3.3420679 -3.09148181 -6.19797683 -6.46528108 1.08786093 -3.49870717 -4.3246881 -0.57816035 -0.45812229 -1.36601465 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00257019-01 196719025 tox21-ror-cho-viability-p1 set2 4 -1.57794556 -0.90073766 -2.5355048 -2.70454918 -7.54105604 -1.15013693 -1.26038199 0.86986485 -2.88479475 -2.60818683 -2.56147172 1.47591729 1.51427718 -3.87641458 -1.99002199 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 7790-98-9 24639 144213631 A Ammonium perchlorate [NH4+].[O-]Cl(=O)(=O)=O Tox21_303314 -NCGC00257487-01 196719447 tox21-ror-cho-viability-p1 set2 4 -1.00916578 0.71444454 -0.15246122 -0.80287086 -0.50542517 5.59928928 -0.34924058 5.17382513 -0.99574313 0.57844991 0.64828573 -0.89329671 -1.88550514 -1.81854799 0.13383551 1.074E-9 2.401E-9 5.368E-9 1.2E-8 2.6839999999E-8 6.0009999999E-8 1.342E-7 3.0009999999E-7 6.71E-7 0.0000015 0.0000033549999999 0.0000075019999999 0.00001677 0.00003751 0.00008387 15708-41-5 27461 144213753 A A Ethylenediaminetetraacetic acid ferric sodium salt [Fe+3].[Na+].[O-]C(=O)CN(CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O Tox21_303443 -NCGC00256498-01 196719449 tox21-ror-cho-viability-p1 set2 4 -0.08569897 1.69382408 -1.60344072 5.81973205 0.18203599 5.81937571 0.38736604 3.56127174 5.31944562 0.90409307 9.41769382 4.20469779 6.94283042 1.79164593 1.80655332 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 62-75-9 6124 144213190 AC Ac N-Nitrosodimethylamine CN(C)N=O Tox21_302873 -NCGC00256939-01 196719450 tox21-ror-cho-viability-p1 set2 4 1.67039364 1.05322597 -0.04413305 1.13097086 -2.51700257 -10.55531423 -2.81203114 -1.93195736 -3.20596663 -4.60042141 -5.0868287 -1.21032518 0.47308062 1.44920157 0.1861387 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-58-3 7150 144213515 Bc Ac Methyl benzoate COC(=O)c1ccccc1 Tox21_303198 -NCGC00257191-01 196719462 tox21-ror-cho-viability-p1 set2 4 -2.55660065 0.80388609 -0.33574088 -0.1739878 0.96081117 0.38081293 -0.7688693 4.34215049 0.32027727 -0.44199895 5.31213265 0.56448552 -0.86648978 -0.27918512 1.06125915 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 693-23-2 12736 144213625 A A Dodecanedioic acid O=C(O)CCCCCCCCCCC(=O)O Tox21_303308 -NCGC00165856-03 196716960 tox21-ror-cho-viability-p1 set2 -2.2 26.6032120037 -50.7027525735 1.5343896215 -49.168362952 4.5044702849 0.9854694542 7.4E-9 2.26235299 -1.3011739 -0.37100992 3.46059271 4.17190511 2.0994478 1.58406968 1.61285727 -0.82241632 1.62197341 2.20197513 0.94519325 0.1614834 -10.29857422 -45.14030246 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 96829-58-2 5284600 170464663 A Orlistat O=C(O[C@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)CCCCCCCCCCC)C(CC(C)C)NC=O Tox21_111437_1 -NCGC00257559-01 196716136 tox21-ror-cho-viability-p1 set2 4 13.6993473423 14.9257285799 -0.4257285799 14.5 2.7202212143 0.92394497 0.0000801606 -0.47112295 1.23751277 -3.68810715 -3.5786095 0.94505723 -1.02927973 -0.14070296 0.04357273 1.55182739 -1.16906275 0.51294416 0.61518786 11.06466295 13.66532137 14.28135133 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.302E-7 7.3839999999E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.0000923 5493-45-8 21660 144207203 A B 1,2-Cyclohexanedicarboxylic acid, bis(oxiranylmethyl) ester O=C(OCC1CO1)C2CCCCC2C(=O)OCC3CO3 Tox21_200005 -NCGC00258689-01 196716540 tox21-ror-cho-viability-p1 set2 4 0.46066578 1.07632686 -0.32155883 1.73237498 3.88986897 1.30183771 1.81527377 0.74596771 2.76302107 4.07876388 5.25883712 1.60378987 3.47056014 3.74068943 0.0819764 1.1689999999E-9 2.614E-9 5.8459999999E-9 1.3069999999E-8 2.9229999999E-8 6.536E-8 1.461E-7 3.268E-7 7.3069999999E-7 0.0000016339999999 0.000003653 0.000008169 0.00001827 0.00004085 0.00009134 14375-45-2 5375199 144208335 A A Abscisic acid OC1(/C=C/C(/C)=C\C(=O)O)C(C)=CC(=O)CC1(C)C Tox21_201137 -NCGC00258186-01 196716558 tox21-ror-cho-viability-p1 set2 -3 74.7726848389 -50.0966955916 -2.783779418 -52.8804750096 4.9549173134 0.8669049826 0.0012927914 0.86916322 -1.23533579 -3.30369848 -8.73746082 0.46971035 -0.27833896 -11.42520682 -5.19245003 -0.0310359 -0.68485231 0.28609456 -5.14042932 -3.10983175 0.44446436 -41.96863096 1.152E-9 2.576E-9 5.7609999999E-9 1.288E-8 2.8799999999E-8 6.4409999999E-8 1.44E-7 3.22E-7 7.2009999999E-7 0.00000161 0.0000036 0.000008051 0.000018 0.000040249999999 0.00009001 452-86-8 9958 144207830 A A 4-Methylcatechol Cc1cc(O)c(O)cc1 Tox21_200632 -NCGC00256951-01 196707217 tox21-ror-cho-viability-p1 set1 4 -2.50245907 -2.90355133 -3.82870469 -1.92941556 -9.89514721 -1.93715808 1.69447113 -2.65700746 1.66268157 -10.09975527 -0.15098696 -2.74662887 -8.92513369 2.53339968 1.14971177 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-83-8 7958 144213408 Fns Diisobutyl ketone CC(C)CC(=O)CC(C)C Tox21_303091 -NCGC00257048-01 196707210 tox21-ror-cho-viability-p1 set1 4 -0.93773655 -0.04981041 -1.59134908 0.42754433 -0.13541383 -0.11511939 -8.71517372 1.61325663 -11.96374373 -0.50813919 -7.30811018 -0.19945856 2.84523806 2.04939681 5.43858535 1.117E-9 2.498E-9 5.5859999999E-9 1.2489999999E-8 2.793E-8 6.246E-8 1.397E-7 3.123E-7 6.983E-7 0.000001561 0.000003491 0.000007807 0.00001746 0.00003904 0.00008729 124-68-5 11807 144213466 A A 2-Amino-2-methylpropan-1-ol CC(C)(N)CO Tox21_303149 -NCGC00256375-01 196707222 tox21-ror-cho-viability-p1 set1 4 -8.30809031 -8.539242 -13.53790867 -7.76776741 -14.79111991 -9.30749473 0.25044581 -3.02242002 -12.40385933 -15.87620631 -8.96314496 -13.47634423 -9.35348345 -4.82287556 -3.74996886 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 127-19-5 31374 144213104 A A N,N-Dimethylacetamide CN(C)C(C)=O Tox21_302787 -NCGC00257171-01 196707617 tox21-ror-cho-viability-p1 set1 4 0.43261812 0.31855333 0.07187013 1.02808079 1.14897713 1.40490185 0.50107028 5.54467961 3.4150758 -0.8008922 3.3994226 3.83065308 5.18830524 1.27695246 5.99342448 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-74-4 6946 144213609 A A 2-Nitroaniline O=[N+]([O-])c1ccccc1N Tox21_303292 -NCGC00256767-01 196707621 tox21-ror-cho-viability-p1 set1 -2.1 61.3171122755 -85.1688346817 -0.485166525 -85.6540012067 2.9022712143 0.9734329473 2.43E-7 2.18653598 1.19078594 3.82590676 -6.62041298 0.45291013 0.8876976 0.05290178 -0.19514748 -0.13118026 -0.88354952 0.34440774 -4.257061 -8.21819232 -19.18827758 -66.02575849 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9569999999E-8 6.613E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003697 0.000008266 0.00001848 0.00004133 0.000092409999999 124-03-8 31280 144212931 A A Ethylhexadecyldimethylammonium bromide [Br-].C[N+](C)(CCCCCCCCCCCCCCCC)CC Tox21_302614 -NCGC00257067-01 196707629 tox21-ror-cho-viability-p1 set1 4 3.27227357 2.18600069 -0.7816987 -9.91067657 1.05111125 -1.50268794 0.60567858 -0.06816661 3.15058406 1.25179009 2.90505071 3.85670585 -0.46878505 0.75282438 4.58848937 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 929-06-6 13578 144213480 Ac Ac 2-(2-Aminoethoxy)ethanol NCCOCCO Tox21_303163 -NCGC00256412-01 196707633 tox21-ror-cho-viability-p1 set1 4 -4.42383209 2.86489014 -8.28098384 -5.63882453 -9.63828106 -5.03221607 -11.06057795 -0.45468488 0.62217774 -13.98649431 0.62531025 -10.11736244 -7.08653812 -10.80768234 -3.79515918 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 53-43-0 5881 144213078 A A Dehydroepiandrosterone O=C4CC[C@@H]3[C@]4(C)CC[C@H]2[C@H]3CC=C1C[C@@H](O)CC[C@@]12C Tox21_302761 -NCGC00256783-01 196707636 tox21-ror-cho-viability-p1 set1 4 40.171482134 14.349131568 0.650868432 15 0.6 0.4613301834 0.215664808 1.92130888 2.80342693 -0.70760964 0.11431435 2.60605499 2.93699857 7.2874317 -0.63999238 1.32025203 0.69471352 0.9386851 6.21218952 8.27077802 3.4091689 11.84719036 1.109E-9 2.4799999999E-9 5.5449999999E-9 1.2399999999E-8 2.772E-8 6.199E-8 1.3859999999E-7 3.1E-7 6.931E-7 0.00000155 0.000003465 0.000007749 0.00001733 0.00003875 0.00008664 2392-39-4 16961 144212903 A F Dexamethasone sodium phosphate [Na+].[Na+].[O-]P([O-])(=O)OCC(=O)[C@@]4(O)[C@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_302586 -NCGC00259240-01 196705997 tox21-ror-cho-viability-p1 set1 4 1.07794695 1.93157266 1.00303074 -0.25492314 7.77510822 -0.15997818 -0.19787715 -0.19631904 8.22797027 0.78791354 3.42927741 -7.51147753 0.58484966 1.08141713 -1.02362363 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018399999999 0.00004115 0.000092019999999 590-01-2 11529 144208889 FC Butyl propionate CCC(=O)OCCCC Tox21_201691 -NCGC00258800-01 196705978 tox21-ror-cho-viability-p1 set1 -2.4 38.2963703681 -28.34070252 -2.5 -30.84070252 1.4641 0.8086611992 0.0066092743 1.99688017 1.41752671 -7.65053352 -6.42515876 -2.39221741 -7.90359741 0.56446732 -0.87506661 -1.64059553 0 -6.01950596 -8.79847167 -9.04917541 -15.54219012 -27.3672521 1.173E-9 2.6229999999E-9 5.865E-9 1.311E-8 2.9319999999E-8 6.557E-8 1.466E-7 3.2779999999E-7 7.3309999999E-7 0.0000016389999999 0.000003665 0.0000081959999999 0.00001833 0.00004098 0.00009164 137-09-7 8715 144208446 D 2,4-Diaminophenol dihydrochloride Cl.Cl.Nc1ccc(O)c(N)c1 Tox21_201248 -NCGC00258961-01 196705986 tox21-ror-cho-viability-p1 set1 4 7.28322608 7.20900037 4.37931668 7.75180576 3.18461329 -0.3694304 -1.82893552 3.14961069 4.77762184 1.11844235 1.34041732 1.96004042 4.05760211 1.23478827 2.36358484 1.177E-9 2.631E-9 5.884E-9 1.316E-8 2.942E-8 6.579E-8 1.471E-7 3.289E-7 7.355E-7 0.000001645 0.0000036779999999 0.000008223 0.00001839 0.000041119999999 0.000091939999999 95-57-8 7245 144208608 A A 2-Chlorophenol Oc1ccccc1Cl Tox21_201410 -NCGC00259227-01 196705991 tox21-ror-cho-viability-p1 set1 -1.2 30.6690184797 -48.0065063688 2.0402091739 -45.9662971949 4.9549173134 0.9713051552 3.771E-7 -1.69461402 -0.27622278 0.53263259 1.87609195 2.76445809 3.00205272 0.45489054 4.44159652 8.12215297 3.09449607 0.79778159 0.94657045 1.70456386 -37.32910379 -51.07366355 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.952E-8 6.6E-8 1.476E-7 3.3E-7 7.379E-7 0.0000016499999999 0.0000036889999999 0.0000082499999999 0.000018449999999 0.00004125 0.000092239999999 20830-75-5 2724385 144208876 A A Digoxin O=C1C=C(CO1)[C@H]2CC[C@@]8(O)[C@]2(C)[C@H](O)C[C@H]4[C@H]8CC[C@@H]3C[C@H](CC[C@@]34C)O[C@@H]7O[C@H](C)[C@@H](O[C@H]6C[C@H](O)[C@H](O[C@H]5C[C@H](O)[C@H](O)[C@@H](C)O5)[C@@H](C)O6)[C@@H](O)C7 Tox21_201678 -NCGC00260535-01 196724691 tox21-ror-cho-viability-p1 set3 4 15.5428804468 6.63831618 -3.63831618 3 3.5117481694 0.3595969046 0.3120651103 -11.78193015 -2.09126336 -4.49285893 -5.03621151 -1.2678989 -1.93221996 -0.8980714 -3.38848663 -7.35364793 1.00401818 -1.29231031 -8.01804019 2.58495615 0.60594346 4.65220747 1.1919999999E-9 2.6659999999E-9 5.9609999999E-9 1.333E-8 2.98E-8 6.664E-8 1.49E-7 3.332E-7 7.451E-7 0.0000016659999999 0.000003725 0.00000833 0.00001863 0.000041649999999 0.00009313 90-05-1 460 144210188 A A 2-Methoxyphenol Oc1ccccc1OC Tox21_202990 -NCGC00091643-08 196724684 tox21-ror-cho-viability-p1 set3 -2.2 61.130564862 -42.6670365336 -4.099781252 -46.7668177856 3.9294729863 0.8025628279 0.0075307555 -11.63545656 -11.10917779 -4.17796548 -13.75805337 1.40173844 -4.36509098 0.53360742 -2.63187359 -6.81812992 -4.68294561 -3.8440173 -4.37744062 -1.24851225 -11.7132493 -39.59607408 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00260359-01 196724688 tox21-ror-cho-viability-p1 set3 4 0.0035497939 11.9553662279 -8.9553662279 3 1.111 0.5897049821 0.1055164126 -7.46280519 -2.39761022 -1.22685999 1.02115538 0.23927687 0.46396272 7.41363523 7.25890516 3.98574104 2.16039967 4.2189044 -0.83303972 -0.13370497 1.21312387 3.64821931 1.212E-9 2.711E-9 6.061E-9 1.3549999999E-8 3.031E-8 6.7769999999E-8 1.515E-7 3.388E-7 7.576E-7 0.0000016939999999 0.0000037879999999 0.0000084709999999 0.00001894 0.00004235 0.000094709999999 203866-13-1 2756017 144210011 A A 1,2-Pyrrolidinedicarboxylicacid,4-fluoro-,1-(1,1-dimethylethyl)ester,(2S,4S)- CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(=O)O Tox21_202813 -NCGC00260093-01 196724689 tox21-ror-cho-viability-p1 set3 4 68.1713220381 -28.0597947039 -2 -30.0597947039 4.9549173134 0.6076470671 0.0914614966 -9.13993491 -2.25489989 -7.84377859 -3.8916791 -8.3227168 2.59405225 -2.48123736 -4.60920623 -2.84327505 2.65709274 7.69427779 3.04600664 -4.67938428 -2.19740548 -25.04982892 1.1739999999E-9 2.626E-9 5.871E-9 1.3129999999E-8 2.936E-8 6.564E-8 1.468E-7 3.282E-7 7.339E-7 0.000001641 0.000003669 0.000008205 0.00001835 0.00004103 0.000091739999999 9002-93-1 5590 144209742 F Ac Triton X-100 CC(C)(C)CC(C)(C)c1ccc(OCCO)cc1 Tox21_202544 -NCGC00167973-02 196725087 tox21-ror-cho-viability-p1 set3 4 10.5909294584 20.5340349959 -4.0340349959 16.5 3.1319983358 0.3288579993 0.3393833281 0 0 7.25831496 5.32592744 -20.86169583 8.6439915 -2.57895185 -14.7629983 7.21657342 -19.62029774 -15.17123592 -0.77010338 3.71793759 13.55141826 16.70366398 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56839-43-1 123698 170465796 A Eperisone hydrochloride Cl.CC(CN1CCCCC1)C(=O)c2ccc(CC)cc2 Tox21_112599_1 -NCGC00021139-11 196725086 tox21-ror-cho-viability-p1 set3 4 0.0018833632 28.391900788 -11.891900788 16.5 0.7999999999 0.6844339435 0.0550813746 -6.57658399 -1.05653125 7.16544108 14.4942798 8.40205518 9.64532418 8.93529492 24.67672189 9.26139554 20.97174885 22.44355115 13.72632608 16.73630621 16.1002057 6.83151344 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-41-0 1775 170464785 A 5,5-Diphenylhydantoin O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3 Tox21_110861_1 -NCGC00159324-04 196725094 tox21-ror-cho-viability-p1 set3 4 0.0595571731 -4.4428609079 2 -2.4428609079 1.8616924601 0.4590131537 0.2367606265 4.48796569 -1.17695325 2.3443764 -0.08120192 4.38861004 -0.70981271 0.09985839 -2.55513304 -0.03804796 -6.20238409 -3.1458525 -1.81807304 -1.97733221 0.00085011 4.08406387 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118-60-5 8364 170465498 F 2-Ethylhexyl salicylate Oc1ccccc1C(=O)OCC(CC)CCCC Tox21_111573_1 -NCGC00016567-05 196725097 tox21-ror-cho-viability-p1 set3 4 3.32242698 1.77182334 0.67665756 -0.99596779 -5.65566258 -4.2114359 -3.40245707 -2.71205446 5.73604276 -9.65652989 0.28909783 -4.59903264 -0.8417296 1.52002815 0.44501554 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1188-21-2 70912 170466209 A Acetyl-L-leucine O=C(C)N[C@@H](CC(C)C)C(=O)O Tox21_111362_1 -NCGC00257720-01 196702200 tox21-ror-cho-viability-p1 set1 4 0.00581021 1.32464319 1.39704241 4.95514703 1.00496107 1.71801295 -7.39414962 0.05544138 0.98442737 1.01850853 2.49571172 -0.43024215 5.41627609 -1.0982853 1.05983463 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13838-16-9 3226 144207364 FNS Enflurane FC(Cl)C(F)(F)OC(F)F Tox21_200166 -NCGC00258732-01 196702190 tox21-ror-cho-viability-p1 set1 4 8.97438395 -0.04069264 2.49702252 0.96409659 5.02004471 0.10589178 5.05472485 1.97332707 2.06473068 0.18571353 -1.8125914 0.63732384 0.73643951 1.06954716 0.5984466 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.3169999999E-8 2.944E-8 6.583E-8 1.472E-7 3.291E-7 7.3599999999E-7 0.0000016459999999 0.00000368 0.0000082289999999 0.000018399999999 0.000041139999999 0.000092 152-11-4 62969 144208378 A A Verapamil hydrochloride Cl.COc1cc(ccc1OC)C(C#N)(CCCN(C)CCc2ccc(OC)c(OC)c2)C(C)C Tox21_201180 -NCGC00258592-01 196702195 tox21-ror-cho-viability-p1 set1 4 7.10573616 2.78336168 -9.37994943 2.75518705 2.57664246 3.65326166 0.41509526 3.09493987 0.41204221 1.2261824 1.54752126 -2.23485543 -0.91980637 2.43230753 1.74809012 1.156E-9 2.586E-9 5.7819999999E-9 1.293E-8 2.891E-8 6.465E-8 1.446E-7 3.232E-7 7.228E-7 0.000001616 0.0000036139999999 0.000008081 0.000018069999999 0.0000404 0.000090349999999 145022-44-2 2758874 144208237 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate C[n+]1ccn(CC)c1.FC(F)(F)S([O-])(=O)=O Tox21_201039 -NCGC00258269-01 196702199 tox21-ror-cho-viability-p1 set1 4 -0.94505988 0.74165225 -1.53932318 1.32126753 -9.99452445 -1.24686473 2.81795576 -2.65612414 -2.68890162 -13.89771205 -2.06923683 -1.99299243 -10.29786789 -6.06895925 1.05563037 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.33E-7 7.445E-7 0.000001665 0.0000037229999999 0.000008324 0.00001861 0.00004162 0.00009306 6362-79-4 23670844 144207913 A A Sodium 5-sulfoisophthalate [Na+].O=S([O-])(=O)c1cc(cc(c1)C(=O)O)C(=O)O Tox21_200715 -NCGC00356961-01 196712138 tox21-ror-cho-viability-p1 set2 4 -7.89283933 -5.30520958 -5.86796554 -5.85493622 -5.44733148 -20.75345795 -6.97569577 -8.82793672 -7.00229313 -0.02707225 -9.9006346 -10.97175486 -9.45625529 -4.05337693 -17.16670394 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-56-0 7661 251919819 A 3-Phenylprop-2-en-1-yl propanoate CCC(=O)OCC=Cc1ccccc1 Tox21_303749 -NCGC00260131-01 196712132 tox21-ror-cho-viability-p1 set2 4 11.49732371 -15.6833502759 0.5 -15.1833502759 4.9549173134 0.9055630115 0.0002459555 -0.67650574 -0.2010596 -1.16031345 -1.57135288 0.04472198 0.70169722 0.8514097 1.20660583 0.16179059 2.20560398 -0.9577726 3.36779445 -0.12721988 -4.81214312 -14.73612523 2.932E-10 6.5569999999E-10 1.466E-9 3.278E-9 7.331E-9 1.6389999999E-8 3.665E-8 8.196E-8 1.8329999999E-7 4.098E-7 9.1629999999E-7 0.0000020489999999 0.0000045819999999 0.00001024 0.00002291 81-49-2 6681 144209780 A B 1-Amino-2,4-dibromoanthraquinone O=C2c1ccccc1C(=O)c3c2c(N)c(Br)cc3Br Tox21_202582 -NCGC00259570-01 196712133 tox21-ror-cho-viability-p1 set2 -3 69.3576091162 -57.6729421838 -1.518011909 -59.1909540928 4.9549173134 0.8974553027 0.0003649926 0.56344807 0.94503514 0.25314304 -0.40871505 1.07163453 0.07955422 -5.59978764 -11.82100326 -0.66637518 -0.29574416 -8.13015766 1.61586981 1.12252479 -1.00038061 -48.56424928 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.977E-8 6.656E-8 1.4879999999E-7 3.3279999999E-7 7.441E-7 0.0000016639999999 0.000003721 0.00000832 0.0000186 0.0000416 0.000093019999999 396-01-0 5546 144209219 A A Triamterene Nc2nc(N)nc1nc(N)c(nc12)c3ccccc3 Tox21_202021 -NCGC00356999-01 196712135 tox21-ror-cho-viability-p1 set2 4 7.6958821542 -11.454864636 2 -9.454864636 3.5117481694 0.3379090801 0.3467899249 -1.71950071 6.65019538 -3.44034605 6.93671041 2.65978486 4.9541725 6.20194322 -0.49398309 -2.60146142 0.44923922 -1.16432371 -1.2601402 -22.04572053 1.24908844 5.18041529 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140939-17-9 23695905 251919984 A Alachlor sec-oxanilic acid sodium salt [Na+].O=C(Nc1c(cccc1CC)CC)C([O-])=O Tox21_303888 -NCGC00161636-02 196712531 tox21-ror-cho-viability-p1 set2 4 37.5780357627 -13.468915672 1 -12.468915672 4.9549173134 0.7260527312 0.027990901 2.68248135 2.10475216 -0.88308827 -0.15030129 3.22962843 -1.3516012 -1.1731703 1.97177865 -1.48948752 0.71867962 1.3623651 1.74899484 3.21749185 2.63343937 -10.39076306 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2217-44-9 75194 170466267 C Iodophthalein sodium [Na+].[Na+].IC1=CC(\C=C(I)C1=O)=C(/c2cc(I)c([O-])c(I)c2)c3ccccc3C([O-])=O Tox21_112622_1 -NCGC00179332-03 196712551 tox21-ror-cho-viability-p1 set2 4 -3.43272981 0.49643477 1.41429742 -1.4580923 0.19674218 -2.65656911 2.16657854 -1.70758245 0.90833702 -0.53201626 -0.38814343 -0.32634957 -2.00791302 -1.03842736 -3.46031538 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 65473-14-5 5281098 170464903 A Naftifine hydrochloride Cl.CN(C\C=C\c1ccccc1)Cc3cccc2ccccc23 Tox21_110677_1 -NCGC00024894-08 196712945 tox21-ror-cho-viability-p1 set2 4 -0.36386412 2.4737357 0.09965233 -1.69353132 -2.44645058 -1.65613822 -2.32691686 -1.53159917 -3.98268312 -2.72739 2.20773342 2.25865171 -2.15745861 -4.25394889 -3.23019828 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 37762-06-4 5722 170466446 A Zaprinast CCCOc3ccccc3C2=Nc1nnnc1C(=O)N2 Tox21_110306_1 -NCGC00159393-03 196712947 tox21-ror-cho-viability-p1 set2 4 0.0375780358 -4.409676896 4 -0.409676896 4.5044702849 0.3925956346 0.2983248305 9.52455309 0.39577479 2.09467124 0.25122287 8.33730406 1.78968544 1.16446732 -1.69768461 -1.35853439 0.64501255 -2.00806408 0.58660161 0.42399444 0.30894039 9.70963119 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 537-55-3 68310 170465742 A N-Acetyl-L-tyrosine Oc1ccc(C[C@H](NC(C)=O)C(=O)O)cc1 Tox21_111630_1 -NCGC00090686-07 196709646 tox21-ror-cho-viability-p1 set2 4 -0.55059233 0.78216739 -0.39812734 2.10498668 -0.38810724 -0.32001777 -0.13042096 -1.08167884 1.41513483 -0.62444775 0.47440483 0.67806529 1.66352826 3.54795023 3.27868018 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00259408-01 196708810 tox21-ror-cho-viability-p1 set2 4 5.4039725473 4.7563694641 0.2436305359 5 4.9549173134 0.5335664115 0.1519170972 2.12339062 0.82159627 0.39744791 1.82375237 -1.87433623 -1.37979451 -1.42782995 2.35666755 3.23598826 -2.71364122 -0.02035997 6.0428377 7.50702807 2.40292403 4.09067697 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.552E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.0000036629999999 0.00000819 0.00001831 0.00004095 0.000091569999999 18883-66-4 29327 144209057 I F Streptozotocin O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)N(C)N=O Tox21_201859 -NCGC00259921-01 196708824 tox21-ror-cho-viability-p1 set2 4 3.31084448 3.06545937 0.52886331 -0.39051034 0.75764556 0.71311225 2.02477916 1.53856512 -0.50259143 4.45985625 1.25176316 1.71466638 4.29509434 1.53451107 1.70821929 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 838-88-0 13283 144209570 A A 4,4'-Methylenebis(2-methylaniline) Cc2cc(Cc1ccc(N)c(C)c1)ccc2N Tox21_202372 -NCGC00257187-01 196718205 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -20.850339656 2 -18.850339656 4.5044702849 0.8344563719 0.0035561511 -0.2565937 -0.0853145 0.76951278 0.82436129 3.04489446 5.54235669 -0.15917141 5.28896925 1.92205605 3.63259014 0.19163904 1.04766135 1.3478337 0.21573164 -14.45861638 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 72-14-0 5340 144213555 A A Sulfathiazole O=S(=O)(Nc1nccs1)c2ccc(N)cc2 Tox21_303238 -NCGC00259138-01 196721913 tox21-ror-cho-viability-p1 set3 4 -11.95038605 -9.80188755 -4.81758277 -3.29537029 -13.64788478 -10.96791358 -12.89621772 -11.32949049 -11.39107454 -10.9990799 -5.03383118 -7.60126802 -12.5453752 -17.55099745 -24.77968824 1.172E-9 2.621E-9 5.8609999999E-9 1.311E-8 2.9299999999E-8 6.553E-8 1.465E-7 3.276E-7 7.326E-7 0.0000016379999999 0.0000036629999999 0.000008191 0.00001832 0.00004095 0.00009158 120-83-2 8449 144208787 A A 2,4-Dichlorophenol Clc1cc(Cl)c(O)cc1 Tox21_201589 -NCGC00256675-01 196718207 tox21-ror-cho-viability-p1 set2 4 -2.6967739 -3.31237796 -7.27947283 -3.00579 -1.57789186 -11.6775962 -4.30299329 -3.50103406 0.69388076 -2.90110097 0.31990957 -3.35721502 -8.29402932 -7.80876225 -13.2118152 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 35250-53-4 61945 144213008 D Pyrazineethanethiol SCCc1cnccn1 Tox21_302691 -NCGC00257439-01 196718202 tox21-ror-cho-viability-p1 set2 4 -0.21403209 0.50310644 0.20993013 0.2087774 0.02433527 4.29566203 0.10521234 -0.38488857 5.69813959 2.0034808 3.95910649 1.28632803 1.17103241 0.17033366 1.44089296 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13826-35-2 26295 144213876 A A 3-Phenoxybenzenemethanol OCc2cc(Oc1ccccc1)ccc2 Tox21_303571 -NCGC00257378-01 196718206 tox21-ror-cho-viability-p1 set2 4 0.61238588 1.05302586 1.5101637 6.09651446 0.7416216 1.27923825 0.9065722 6.26495375 1.14999198 1.63208875 6.11829324 -0.10653411 -0.32933302 -0.30135578 0.68211123 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19248-13-6 87984 144213686 A A N-Ethyl-N-(3-methylphenyl)ethane-1,2-diamine CCN(CCN)c1cc(C)ccc1 Tox21_303371 -NCGC00257140-01 196718212 tox21-ror-cho-viability-p1 set2 4 2.5682154 1.36471674 -0.18209876 0.48662579 0.00051996 0.61033893 2.31533166 4.74779759 0.89685417 1.89498851 3.14350664 -3.81974029 -0.83303988 1.66663918 -0.14063165 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 124-17-4 31288 144213372 A A 2-(2-Butoxyethoxy)ethyl acetate CCCCOCCOCCOC(C)=O Tox21_303055 -NCGC00256326-01 196718220 tox21-ror-cho-viability-p1 set2 4 0.30811657 1.03201747 -0.23797857 3.73380357 0.88041726 2.53031854 -0.36267706 1.10616291 2.74563732 0.05447469 1.67620936 -0.13824346 1.67644089 1.66304914 1.41449516 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 20265-97-8 2734956 144213226 A A 4-Methoxyaniline hydrochloride Cl.Nc1ccc(OC)cc1 Tox21_302909 -NCGC00257009-01 196718221 tox21-ror-cho-viability-p1 set2 4 -1.66329822 -3.24252792 -2.40894536 -3.07327893 -2.84345189 -0.16653026 1.27184655 0.9139598 -8.95345303 -2.49671939 0.35650083 0.11064925 -0.14097594 -3.8240008 -0.45575917 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 134678-17-4 73339 144213464 A A Lamivudine NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)SC2 Tox21_303147 -NCGC00256811-01 196718624 tox21-ror-cho-viability-p1 set2 4 -1.60594348 1.4336008 0.81460289 -0.10794892 2.95217763 2.98587328 1.66121366 3.0067014 2.11273903 1.92520161 4.08922176 -2.47148405 -1.06879276 -0.05981434 0.80881131 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2445-76-3 88454 144212760 F F Hexyl propanoate O=C(CC)OCCCCCC Tox21_302443 -NCGC00256669-01 196719034 tox21-ror-cho-viability-p1 set2 4 -1.68144218 -1.55390246 -1.54477462 -0.2528245 -1.08716293 -2.27302646 -3.19181438 -1.69746968 1.35896368 -2.52136537 -8.82399782 0.65248617 -0.16709674 -2.47900545 -0.95964482 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 13816-33-6 26289 144212897 A F 4-Isopropylbenzonitrile CC(C)c1ccc(C#N)cc1 Tox21_302580 -NCGC00256510-01 196719036 tox21-ror-cho-viability-p1 set2 4 6.1130564862 -7.44596958 7.5 0.05403042 4.9549173134 0.4269092708 0.2643141554 7.90672663 7.14937345 1.65567551 7.01107073 2.15837123 8.20813856 7.10284498 13.17761185 6.85071838 7.5250138 12.72285868 -1.20497465 1.15693011 1.30821831 8.37172806 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 622-97-9 12161 144213068 Fns 4-Methylstyrene Cc1ccc(C=C)cc1 Tox21_302751 -NCGC00257502-01 196719045 tox21-ror-cho-viability-p1 set2 4 -1.54210893 0.20683661 0.05536352 -0.01093638 5.73519039 5.55621426 3.510657 4.39348981 -0.42992229 4.11283899 0.65367355 -1.06740342 -0.00138964 0.23542215 -0.62193435 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-51-4 2345 144213729 A A Benzyl benzoate O=C(OCc1ccccc1)c2ccccc2 Tox21_303418 -NCGC00254031-01 196719491 tox21-ror-cho-viability-p1 set3 2.4 7.6958821542 22.505243984 -10.505243984 12 0.3999999999 0.82496749 0.0045184399 -8.52040598 -13.33770332 -10.00228845 -2.73595731 -10.07877842 -8.08908702 -6.55802361 -5.94316666 -1.07210296 -5.39406677 -1.1928133 0.44910021 0.23455837 6.58822082 6.79587138 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 331623-06-4 60196401 144210546 A A MK-547 [Na+].[Na+].[O-]C(=O)[C@@H](C)Cc1cc(OC)ccc1[C@@H]5c2nc(CCCC)ccc2[C@H](c3ccc4OCOc4c3)[C@H]5C([O-])=O Tox21_300226 -NCGC00257451-01 196707227 tox21-ror-cho-viability-p1 set1 4 4.46605469 3.00097817 -2.27096255 1.24341462 3.36462251 -2.15283497 4.76617537 4.50989366 -2.0319439 3.83461993 0.71390737 2.09017018 -2.53329483 0.70882029 -0.53235427 4.064E-10 9.087E-10 2.032E-9 4.544E-9 1.016E-8 2.272E-8 5.08E-8 1.136E-7 2.5399999999E-7 5.6799999999E-7 0.00000127 0.00000284 0.0000063499999999 0.000014199999999 0.00003175 NOCAS_48176 11982778 144213751 A A YM218 O=C(O)/C=C/C(=O)O.Cc6occc6C(=O)Nc1ccc(cc1)C(=O)N5CCC(F)(F)C(=C\C(=O)N2CCC(CC2)N3CCCCC3)/c4ccccc45.O=C(\C=C2\c1ccccc1N(CCC2(F)F)C(=O)c3ccc(cc3)NC(=O)c4ccoc4C)N5CCC(CC5)N6CCCCC6 Tox21_303441 -NCGC00091643-08 196710119 tox21-ror-cho-viability-p1 set2 -2.2 54.4826732819 -49.5786463175 1.1977411479 -48.3809051696 2.5884283767 0.9884435553 1.9E-9 4.47644824 1.62171939 2.09892648 1.31562902 0.13627334 0.17677242 -0.570252 1.22793001 1.34355441 1.59053317 0.14123928 1.02488429 -2.29134767 -14.74950114 -38.54614028 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00256329-01 196707228 tox21-ror-cho-viability-p1 set1 4 0.1368542878 4.289555244 -4.289555244 0 4.9549173134 0.3982000185 0.2762309923 -0.5173929 -0.56539874 -4.74941519 -2.41217961 -8.57462937 -7.85504265 -1.71604898 3.15525108 -0.16745066 -3.0430722 -0.22552242 -0.81949987 -0.06945926 -0.445111 3.60972424 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81-07-2 5143 144213267 A A Saccharin O=C2NS(=O)(=O)c1ccccc12 Tox21_302950 -NCGC00259678-01 196706830 tox21-ror-cho-viability-p1 set1 -1.1 15.4021622344 -90.8313892485 -0.894955637 -91.7263448855 1.4787409999 0.9064679659 0.0002296598 -2.13531121 -8.03003812 -1.18374347 4.54766077 -8.80973781 -1.41143092 -2.16177277 -1.18842901 2.40669213 0 -5.01378581 -21.54685113 -74.08876095 -53.62445784 -89.4018956 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9569999999E-8 6.613E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003697 0.000008266 0.00001848 0.00004133 0.000092409999999 138-89-6 8749 144209327 F N,N-Dimethyl-4-nitrosoaniline CN(C)c1ccc(N=O)cc1 Tox21_202129 -NCGC00257329-01 196707224 tox21-ror-cho-viability-p1 set1 4 1.35254847 -13.36217553 -11.8051253 -5.56341726 -10.97322718 -9.42888426 -0.61372426 -14.64677539 -15.50806144 -19.37105977 -18.747135 -18.24152274 -7.10959067 -10.23160739 -15.07219569 7.4319999999E-10 1.662E-9 3.716E-9 8.31E-9 1.8579999999E-8 4.1549999999E-8 9.291E-8 2.077E-7 4.645E-7 0.000001039 0.000002323 0.000005194 0.000011609999999 0.000025969999999 0.00005807 2919-66-6 250948 144213722 A A Melengestrol acetate CC(=O)[C@@]3(OC(C)=O)C(=C)C[C@H]2[C@@H]4C=C(C)C1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_303411 -NCGC00256351-01 196707235 tox21-ror-cho-viability-p1 set1 4 17.7930276771 -20.997911352 -4 -24.997911352 2.4063783767 0.6711178974 0.052222753 -8.10718606 -2.27739681 0.32628219 -7.1120038 -8.75292828 -12.58387598 -0.65265569 1.95135528 -0.76592215 -9.7818645 -0.16745196 -1.39172765 -13.71830646 -18.17472454 -24.99825946 8.258E-10 1.8469999999E-9 4.1289999999E-9 9.2329999999E-9 2.065E-8 4.616E-8 1.032E-7 2.308E-7 5.161E-7 0.0000011539999999 0.000002581 0.0000057709999999 0.0000129 0.00002885 0.00006452 6459-94-5 5479172 144213294 F C.I. Acid Red 114 [Na+].[Na+].[O-]S(=O)(=O)c5cc(cc6ccc(O)c(/N=N/c1ccc(cc1C)c4ccc(/N=N/c3ccc(OS(=O)(=O)c2ccc(C)cc2)cc3)c(C)c4)c56)S([O-])(=O)=O Tox21_302977 -NCGC00256699-01 196707241 tox21-ror-cho-viability-p1 set1 4 0.0685896219 -9.410144736 -11.85660366 -21.266748396 1.5385888099 0.9010830694 0.0005636915 -12.27753715 -13.98487914 -11.13050305 -11.24727311 -13.9492254 -17.84009074 -17.14166038 -22.61100273 -19.13744955 -20.55212514 -22.32406943 -20.87296698 -21.75283154 -22.72229033 -12.88808241 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60125-24-8 641298 144213940 A A trans-2-Methoxycinnamaldehyde COc1ccccc1/C=C/C=O Tox21_303635 -NCGC00257197-01 196707243 tox21-ror-cho-viability-p1 set1 4 76.9588215421 9.4366751441 0.5633248559 10 4.9549173134 0.4953933649 0.1867286929 2.68635098 -0.28707377 3.18328119 0.78332775 -4.53056262 0.23594492 0.09796603 -0.17636763 0.12654441 1.33660844 -0.46988044 0.21755682 2.51570709 -0.60996603 7.46839381 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79277-27-3 73674 144213405 A Thifensulfuron-methyl O=S(=O)(NC(=O)Nc1nc(C)nc(OC)n1)c2ccsc2C(=O)OC Tox21_303088 -NCGC00256674-01 196707645 tox21-ror-cho-viability-p1 set1 4 -13.26293498 -10.71383345 -2.74075715 -21.90740588 -1.13380568 -11.65353485 -10.32228435 0.07582538 -22.66212973 -12.82972168 -22.92673863 -9.79514995 2.69479217 -8.14795997 -0.47634222 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-14-0 8834 144212996 A Ac Citronellyl propionate C\C(C)=C\CCC(C)CCOC(=O)CC Tox21_302679 -NCGC00256504-01 196707653 tox21-ror-cho-viability-p1 set1 4 4.16914348 4.64889334 1.80204193 2.026212 3.57566167 0.12528019 6.41325402 5.14999108 -7.9287222 4.87964139 12.72208185 11.29675552 7.83321715 6.5966022 7.88523661 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-81-7 54670067 144213275 Z A L-Ascorbic acid OC=1C(=O)O[C@H]([C@@H](O)CO)C=1O Tox21_302958 -NCGC00257099-01 196707661 tox21-ror-cho-viability-p1 set1 4 4.48759164 -0.02964915 3.75175936 2.34235622 3.31348254 1.12923258 9.424502 1.52434309 0.04119224 0.75122227 1.00144695 1.81691789 0.14991036 7.35476185 5.43152216 1.227E-9 2.7439999999E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.669E-7 0.000001715 0.000003834 0.000008574 0.00001917 0.000042869999999 0.00009586 104-94-9 7732 144213356 A A 4-Methoxyaniline Nc1ccc(OC)cc1 Tox21_303039 -NCGC00262948-01 196705094 tox21-ror-cho-viability-p1 set1 4 -0.4213598 0.53932266 2.55677475 0.7344982 2.45705452 0.56036985 -0.39867869 6.06524153 1.64061226 4.85532721 0.12327174 2.20828229 1.94159804 4.37721189 4.57016475 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23049-93-6 31635 170466236 A A Enfenamic acid O=C(O)c2ccccc2NCCc1ccccc1 Tox21_113941 -NCGC00258333-01 196729258 tox21-ror-cho-viability-p1 set3 4 -2.89579995 -3.75401173 -0.8942815 -3.01958067 -3.94201494 -3.9649451 -4.74474284 -2.08221107 -2.88363488 -0.56817578 -0.58412733 -2.22824884 -5.40923751 -2.72129447 -7.93528561 1.213E-9 2.713E-9 6.0659999999E-9 1.3559999999E-8 3.033E-8 6.782E-8 1.516E-7 3.391E-7 7.582E-7 0.000001695 0.0000037909999999 0.000008477 0.00001896 0.00004239 0.00009478 105-76-0 5271569 144207977 Z Z Dibutyl maleate O=C(\C=C/C(=O)OCCCC)OCCCC Tox21_200779 -NCGC00258344-01 196729686 tox21-ror-cho-viability-p1 set3 4 1.19691674 1.73464877 0.40645786 0.14273323 2.14496752 -1.63952077 1.57070336 0.96548266 1.93377886 -2.12286321 -0.93243432 1.81810355 -3.06526237 -0.58066814 -3.43304895 1.237E-9 2.7659999999E-9 6.184E-9 1.383E-8 3.0919999999E-8 6.914E-8 1.5459999999E-7 3.457E-7 7.731E-7 0.000001729 0.000003865 0.000008643 0.000019329999999 0.00004321 0.000096629999999 74-97-5 6333 144207988 FC Bromochloromethane BrCCl Tox21_200790 -NCGC00163771-03 196704676 tox21-ror-cho-viability-p1 set1 4 2.41277642 0.7208548 1.2645371 0.65391436 0.60244504 0.10252541 1.45164043 0.37491398 2.289696 2.05185893 2.7578112 4.00558483 0.95180128 2.35463104 5.69346999 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00159420-04 196704696 tox21-ror-cho-viability-p1 set1 4 -0.50956305 -1.25268438 -2.10872475 2.46243063 -0.38893478 -0.11508532 -0.46299901 0.58682181 6.88086827 4.59013767 4.2499183 4.29407598 5.16476848 5.23565853 -0.08310056 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 115-33-3 8269 170466798 A Oxyphenisatin acetate CC(=O)Oc1ccc(cc1)C2(c3ccccc3NC2=O)c4ccc(OC(C)=O)cc4 Tox21_111651_1 -NCGC00161419-05 196705093 tox21-ror-cho-viability-p1 set1 4 4.00075034 0.64667914 3.71369863 0.96435453 3.25009791 3.96314957 0.0782122 0.45061952 7.87042217 0.14716133 3.41207091 -1.11866964 1.15351741 0.83538163 5.84837622 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_47817 45006154 170465176 C Trimetrexate Cl.Cl.Cl.COc1cc(cc(OC)c1OC)NCc2ccc3nc(N)nc(N)c3c2C Tox21_111995_1 -NCGC00164586-02 196705111 tox21-ror-cho-viability-p1 set1 4 0.22834467 0.41205489 4.29975508 0.38804977 -2.59508604 0.75914004 -0.24262828 6.33473463 -4.50242254 -0.17604421 0.17362998 -67.23230351 2.75304924 2.78149044 7.09596738 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1248-42-6 121097 170466541 A Pitofenone hydrochloride Cl.O=C(OC)c1ccccc1C(=O)c3ccc(OCCN2CCCCC2)cc3 Tox21_112212_1 -NCGC00253657-01 196705117 tox21-ror-cho-viability-p1 set1 4 0.28256942 2.49384897 0.03852472 -0.40223501 -0.50235173 1.02832691 2.95558552 -1.82956255 -1.79686791 2.69810068 -2.35227061 4.03885952 -1.79805704 2.67579571 6.43800204 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66644-80-2 3017698 170466671 A A 2,3-Dimethoxy-5-sulphamoylbenzoic acid O=S(N)(=O)c1cc(c(OC)c(OC)c1)C(=O)O Tox21_113783 -NCGC00016026-10 196705510 tox21-ror-cho-viability-p1 set1 4 -0.30147958 0.84510121 0.88400793 -3.57748263 -0.36740857 -0.84430045 1.30972776 -2.13502976 1.35467484 -3.02091108 -1.90718261 -0.15346623 -1.60281283 -2.90043859 -0.79402079 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63074-08-8 44383 170465073 A Terazosin hydrochloride Cl.O=C(N1CCN(CC1)c3nc2cc(OC)c(OC)cc2c(N)n3)C4CCCO4 Tox21_110674_1 -NCGC00161420-06 196705522 tox21-ror-cho-viability-p1 set1 -2.1 29.8492948118 -86.3123560579 0.835373834 -85.4769822239 4.9549173134 0.9878081482 2.7E-9 1.80914195 2.00826985 -0.1007891 2.59337211 0.20489544 0.79118388 -2.92072197 0.14792648 3.0365569 -2.25156024 5.41544314 2.85513882 -2.21905169 -11.25994118 -76.23081852 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 116666-63-8 60662 170466110 A Mibefradil dihydrochloride Cl.Cl.CC(C)[C@H]3c4ccc(F)cc4CC[C@]3(OC(=O)COC)CCN(C)CCCc1nc2ccccc2n1 Tox21_111244_1 -NCGC00259200-01 196705925 tox21-ror-cho-viability-p1 set1 4 -1.59703462 -3.03120508 -0.8238052 0.39636771 -0.09803414 -0.67538351 1.86726433 0.49140175 0.21839844 -10.29627515 -1.24501835 -3.90575475 -4.02244998 -0.62090343 5.75216813 1.187E-9 2.6549999999E-9 5.937E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 25360-10-5 520196 144208849 FNS tert-Nonanethiol CC(C)(S)CCCCCC Tox21_201651 -NCGC00259834-01 196705943 tox21-ror-cho-viability-p1 set1 4 3.94061855 4.93097125 -6.23614435 -0.13736187 4.54019187 2.05060067 3.04687442 1.73551177 -4.61574452 7.18915347 6.53211542 1.1279785 3.72827527 0.93642316 5.48468421 1.194E-9 2.671E-9 5.972E-9 1.335E-8 2.986E-8 6.677E-8 1.493E-7 3.338E-7 7.465E-7 0.000001669 0.000003732 0.000008346 0.00001866 0.000041729999999 0.00009331 7664-38-2 1004 144209483 A Phosphoric acid O=P(O)(O)O Tox21_202285 -NCGC00259330-01 196705947 tox21-ror-cho-viability-p1 set1 4 3.88194199 -0.07191075 9.11052303 8.56405663 -0.35109511 4.26849917 -0.67911835 -2.0723366 0.04138596 1.38534325 5.50871494 -0.24278097 3.33152329 -0.31363837 -0.69250429 1.159E-9 2.591E-9 5.793E-9 1.2949999999E-8 2.8969999999E-8 6.4769999999E-8 1.448E-7 3.239E-7 7.2419999999E-7 0.0000016189999999 0.0000036209999999 0.000008096 0.0000181 0.000040479999999 0.00009052 15214-89-8 65360 144208979 A D 2-Acrylamido-2-methyl-1-propanesulfonic acid O=C(NC(C)(C)CS(=O)(=O)O)C=C Tox21_201781 -NCGC00256088-01 196710482 tox21-ror-cho-viability-p1 set2 4 0.5448267328 5.489475312 -7.00262118 -1.513145868 4.9549173134 0.4781220276 0.2165836931 -1.33728106 -6.18995713 -1.88731454 -8.67270522 -9.1593284 -7.50895659 -10.83551765 -10.76325145 -1.1639702 -0.01095489 -1.19885797 -1.3252164 -0.89068147 -4.29330534 -7.2324095 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1985-51-9 16135 144211980 A Fc 2,2-Dimethylpropane-1,3-diyl bis(2-methylprop-2-enoate) O=C(OCC(C)(C)COC(=O)C(=C)C)C(=C)C Tox21_301663 -NCGC00255060-01 196714200 tox21-ror-cho-viability-p1 set2 4 -2.46052505 -2.63066018 -3.45241711 -0.71611878 -0.66552721 0.19551646 -0.23443702 -0.4480582 -0.52014305 -0.66100707 -3.08254691 3.53888786 3.84041372 5.35205976 3.67551587 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18172-67-3 440967 144211479 FNS (-)-beta-Pinene CC2(C)[C@H]1CCC(=C)[C@@H]2C1 Tox21_301162 -NCGC00255591-01 196710496 tox21-ror-cho-viability-p1 set2 -2.2 22.8837257962 -39.0797809627 0.5 -38.5797809627 1.8079476909 0.9938052814 0 2.01164294 -0.50531655 0.42202039 -0.1558377 -0.07876681 -0.01032234 -0.15406344 1.30225327 0.90178961 0.30759048 1.07044822 -5.42040879 -15.1348779 -26.92657089 -35.72201941 1.121E-9 2.506E-9 5.6039999999E-9 1.2529999999E-8 2.802E-8 6.265E-8 1.401E-7 3.133E-7 7.005E-7 0.000001566 0.0000035019999999 0.000007831 0.00001751 0.00003916 0.00008756 6625-46-3 5483526 144212088 Ac C.I. Acid Violet 12, disodium salt [Na+].[Na+].[O-]S(=O)(=O)c3cc2cc(c(/N=N/c1ccccc1OC)c(O)c2c(c3)NC(C)=O)S([O-])(=O)=O Tox21_301771 -NCGC00255384-01 196710476 tox21-ror-cho-viability-p1 set2 -2.4 27.3060203028 -24.478488364 1 -23.478488364 4.0949729863 0.9326179887 0.0000421719 1.9630696 2.41137686 -0.13088775 2.88202768 4.06832021 4.21452476 -0.50983522 1.99590491 -1.52919216 -3.31989265 -1.05354099 -0.45755752 -2.86156565 -19.34973763 -23.31540697 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-93-2 23690438 144211642 Fns Proxan-sodium [Na+].CC(C)OC([S-])=S Tox21_301325 -NCGC00255615-01 196710484 tox21-ror-cho-viability-p1 set2 4 4.7369159 -1.07585478 0.87259387 0.27728556 -0.26585566 -0.21421618 -0.98391931 3.17875417 1.23539378 3.10111897 -0.13748317 -0.90238808 2.73297842 0.28063041 3.03099021 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 299-86-5 9300 144212579 A A Crufomate Clc1cc(ccc1OP(=O)(NC)OC)C(C)(C)C Tox21_302262 -NCGC00256061-01 196710892 tox21-ror-cho-viability-p1 set2 4 -3.42062665 0.99095738 -5.38643631 -4.05997476 -5.91961391 -5.93935555 -4.28012969 -7.12961684 -3.06577274 -5.49739438 -0.55533935 -0.25202166 -0.67771679 0.67235844 -0.57823444 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2612-29-5 102293 144211579 A A 2-Ethylpropane-1,3-diol CCC(CO)CO Tox21_301262 -NCGC00090874-04 196710904 tox21-ror-cho-viability-p1 set2 4 -0.47649849 -2.32381001 -2.45520406 -4.8075166 -3.70272483 -3.50649444 -2.16139225 -3.80446114 1.22928678 -3.65057657 -1.99857828 3.26519703 -2.93270644 -1.22671677 -5.46075972 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00256250-01 196710905 tox21-ror-cho-viability-p1 set2 4 3.38543877 4.26088982 3.79672123 2.59012066 1.48267534 2.90968668 -0.26284327 -0.7606369 0.22930503 1.56977388 0.39006996 1.48004349 0.64025956 1.19744968 6.09795332 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 562-74-3 11230 144212102 B A 4-Methyl-1-(propan-2-yl)cyclohex-3-en-1-ol CC(C)C1(O)CC=C(C)CC1 Tox21_301785 -NCGC00260608-01 196711312 tox21-ror-cho-viability-p1 set2 -2.1 33.4914596268 -97.7519704098 -2.434494549 -100.1864649588 1.8851180601 0.7465638933 0.0204571066 3.4461084 0 0.43537471 0.36296835 1.27540825 2.41278866 1.54875588 -11.63670215 -1.2492257 -9.46315115 -2.21191216 2.28631827 -39.25574117 -10.64134002 -75.89883709 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49504 144210261 M M NTP Mix11 AR1 8-EQP Tox21_203063 -NCGC00357018-01 196711321 tox21-ror-cho-viability-p1 set2 3 61.130564862 66.2015313868 -1.3826675835 64.8188638033 4.9549173134 0.9933181886 1E-10 0.22788665 -0.82943353 -1.42657448 -0.68429679 -1.78165113 -1.29200309 -0.3458907 -1.64138338 -4.8191198 -1.91230682 -0.01919165 -0.78909554 0.22920782 6.3287435 57.17535667 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2081-08-5 608116 251919827 A Bisphenol E CC(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_304007 -NCGC00357136-01 196711325 tox21-ror-cho-viability-p1 set2 -1.4 0.4327712569 -40.7835318363 5.323325556 -35.4602062803 0.3 0.3871787154 0.3178728199 1.34005925 -0.05372525 -11.04936549 1.90366825 -1.22414492 -21.46752285 -13.62820418 -15.0077957 -13.29742282 -32.896019 -1.11751847 -11.1475211 -41.62982063 -1.33808566 18.76349348 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5694-00-8 91550 251919703 A Glycidamide NC(=O)C1CO1 Tox21_303874 -NCGC00356993-01 196711327 tox21-ror-cho-viability-p1 set2 4 68.5896218971 22.4262060281 1.5737939719 24 0.7999999999 0.4600047522 0.2153122607 -0.35517169 0.57748184 0.20867462 0.45339147 2.47059463 6.94285529 0.20184061 1.13741614 10.87812119 8.46701719 -0.00959582 8.02841511 0.99024456 8.83582127 18.69136455 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 243973-20-8 210326 251919724 F Pinoxaden CC(C)(C)C(=O)OC2=C(C(=O)N1CCOCCN12)c3c(CC)cc(C)cc3CC Tox21_304033 -NCGC00254516-01 196720719 tox21-ror-cho-viability-p1 set3 4 10.71091007 3.97449912 7.2209848 0.54023898 2.31717127 -3.49153896 10.62678071 -2.34075796 8.04431686 9.30141125 9.06630713 -3.00735787 7.17356717 8.35861244 4.37425994 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1646-75-9 15436 144210726 FNS Aldicarb oxime O\N=C/C(C)(C)SC Tox21_300408 -NCGC00163735-04 196720723 tox21-ror-cho-viability-p1 set3 4 0.0364489958 5.9930847279 -8.8179592839 -2.824874556 0.8999999999 0.4419027304 0.2345123494 -4.67774372 -8.73854928 -11.51496607 -9.5487823 -2.38602035 -3.99876917 -7.35884557 -2.26811436 -1.10406213 -1.53132943 -4.29458208 -4.49086861 -1.20806758 -1.20831411 -5.71484433 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00254801-01 196719889 tox21-ror-cho-viability-p1 set3 -3 61.130564862 -60.4771552908 0.5900616619 -59.8870936289 4.5044702849 0.838028643 0.0031825447 -7.36991616 2.79075263 3.02056893 4.93500684 1.95925343 9.12531725 4.95555476 -5.77510811 -6.55150481 0.06738053 -6.30275448 -4.79997008 12.28094633 -8.6920578 -51.81843705 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81406-37-3 54745 144211214 A A Fluroxypyr-meptyl CC(CCCCCC)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl Tox21_300897 -NCGC00254256-01 196720320 tox21-ror-cho-viability-p1 set3 4 0.0054482673 7.700342848 -8.200342848 -0.5 4.9549173134 0.5026318026 0.1944916718 -6.5597713 -9.33361904 -3.18048686 -0.67020206 -1.86508394 -0.64058471 2.46238553 -3.82099108 2.11339083 0.80283374 -3.06396229 2.51683926 -6.53819217 1.32656105 -6.88357779 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-44-4 8115 144210832 A Bis(2-chloroethyl) ether ClCCOCCCl Tox21_300514 -NCGC00254848-01 196720728 tox21-ror-cho-viability-p1 set3 4 0.44005739 -4.5809605 5.03522046 -11.67143539 -1.69338034 3.66052039 -11.60350553 5.15904782 5.71019423 5.57350767 -9.36164707 4.03154131 -0.37529486 -13.29458509 -8.56449725 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.938E-8 6.568E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.000041049999999 0.0000918 13181-17-4 5360414 144211263 A F Bromofenoxim Brc1cc(cc(Br)c1O)\C=N\Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O Tox21_300946 -NCGC00254058-01 196720739 tox21-ror-cho-viability-p1 set3 4 -6.91689188 6.44128658 -8.02564809 -10.58978803 0.8393282 -7.90070562 2.30678467 -6.98447244 -0.68073108 -1.36823746 2.12293449 -0.94901708 -0.41533577 0.50165567 4.73306154 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-20-3 931 144210328 A Ac Naphthalene c1cccc2ccccc12 Tox21_300008 -NCGC00259275-01 196721138 tox21-ror-cho-viability-p1 set3 4 30.5444110439 8.883879756 -3.883879756 5 4.9549173134 0.4398577213 0.2350038221 -7.40323313 0.26772503 -1.73095938 5.12060614 -5.76711757 -7.0231595 -6.14538428 -6.02306192 -4.39550808 -3.64885686 -6.84059089 -4.57989885 -4.37054334 3.59875095 4.7637692 1.177E-9 2.631E-9 5.883E-9 1.316E-8 2.942E-8 6.578E-8 1.471E-7 3.289E-7 7.354E-7 0.0000016439999999 0.0000036769999999 0.0000082219999999 0.00001839 0.00004111 0.00009193 107-04-0 7849 144208924 AC Ac 1-Chloro-2-bromoethane BrCCCl Tox21_201726 -NCGC00259738-01 196721139 tox21-ror-cho-viability-p1 set3 4 35.3222796124 13.2074879639 -7.7074879639 5.5 4.9549173134 0.5195154892 0.1615624094 -9.68942774 -4.8118121 -5.94757268 -1.91654703 -9.28893292 -5.39458519 -17.25623997 -11.67528207 -6.02009981 -6.31476801 -3.55252217 -12.12883763 -7.74506012 1.71579063 5.01100277 1.2069999999E-9 2.6979999999E-9 6.033E-9 1.349E-8 3.017E-8 6.746E-8 1.5079999999E-7 3.373E-7 7.5419999999E-7 0.0000016859999999 0.0000037709999999 0.000008432 0.00001885 0.000042159999999 0.000094269999999 106-65-0 7820 144209387 A F Dimethyl succinate COC(=O)CCC(=O)OC Tox21_202189 -NCGC00258900-01 196721548 tox21-ror-cho-viability-p1 set3 4 2.49837487 5.49197748 -2.94785607 -0.16373438 2.64378469 2.67124246 0.05219828 1.70754458 1.86147701 6.29045714 3.16188389 3.12005154 5.22008256 1.86318543 -1.95274187 1.218E-9 2.723E-9 6.0889999999E-9 1.3619999999E-8 3.045E-8 6.808E-8 1.522E-7 3.4039999999E-7 7.611E-7 0.000001702 0.000003806 0.00000851 0.00001903 0.00004255 0.00009514 79-19-6 2723789 144208546 Z Z Thiosemicarbazide NC(=S)NN Tox21_201348 -NCGC00259076-01 196721550 tox21-ror-cho-viability-p1 set3 4 21.7561324245 11.1061217679 -2.6061217679 8.5 2.09374246 0.4692015177 0.2070246936 -5.49891016 -2.09516853 -0.36040831 6.21241652 -1.21309841 2.14484372 -8.42176814 -5.18737766 -7.69221303 -3.06289187 -0.41755933 -2.66129156 2.69293055 5.56355953 8.55860288 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 79-06-1 6579 144208724 A A Acrylamide C=CC(N)=O Tox21_201526 -NCGC00090708-05 196721942 tox21-ror-cho-viability-p1 set3 -1.2 6.1130564862 -38.1661345943 -0.80474806 -38.9708826543 2.4729283767 0.9439481478 0.000015658 -1.90461865 -2.95504741 -1.18889061 -0.58350137 -1.22111036 -2.18868188 -2.67034838 -1.67144734 2.90082795 3.46818388 -14.01470953 -23.80565541 -39.76730995 -44.57929672 -30.77647694 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00166138-04 196722328 tox21-ror-cho-viability-p1 set3 4 -6.04034607 -6.71731646 -3.93493219 10.80704299 9.642728 8.69690531 11.72691604 10.00573348 -6.82960918 -7.78986521 3.59824063 -6.0611626 -4.30086146 0.24946474 2.90676757 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 297-76-7 9270 170464933 F Ethynodiol diacetate CC(=O)O[C@@]4(C#C)CC[C@@H]3[C@]4(C)CC[C@H]2[C@H]3CCC1=C[C@H](CC[C@@H]12)OC(C)=O Tox21_112333_1 -NCGC00248803-03 196722331 tox21-ror-cho-viability-p1 set3 4 4.44227663 1.0481209 2.74825745 3.68330125 1.22308527 0.38022551 1.0952825 0.61299192 4.19695819 12.94293416 12.03312106 -4.17671261 9.36215715 -0.90404809 2.49879714 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3374-22-9 594 170464842 Z DL-Cysteine O=C(O)C(N)CS Tox21_111766_1 -NCGC00259162-01 196708889 tox21-ror-cho-viability-p1 set2 4 54.5380840886 -22.646750316 -1.5 -24.146750316 2.4063783767 0.7743897667 0.0131003305 -1.52567753 0.46049579 -9.34488234 -3.13789974 -0.19901836 1.88096558 -2.51135138 0.14574358 -1.37030681 -0.93146871 -1.9132797 0.52487164 -0.94648466 -10.45177853 -18.87229193 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.476E-7 3.3009999999E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008253 0.00001846 0.00004127 0.000092279999999 99-54-7 7443 144208811 A Ac 3,4-Dichloronitrobenzene Clc1ccc(cc1Cl)[N+]([O-])=O Tox21_201613 -NCGC00256506-01 196708074 tox21-ror-cho-viability-p1 set1 4 0.06320751 -0.70500233 0.02023684 -1.78639847 2.24998742 -1.24910962 1.57432142 -11.19155946 1.9933152 0.21102858 2.52616464 2.73647303 0.49446156 -1.04655389 1.45688721 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 79-19-6 2723789 144213300 A Thiosemicarbazide NC(=S)NN Tox21_302983 -NCGC00260671-01 196708483 tox21-ror-cho-viability-p1 set2 4 27.167235033 -23.790201756 2.5 -21.290201756 0.7999999999 0.9278913286 0.0000606451 5.62569966 -0.40404931 5.08747219 3.45984288 0.44922326 1.65866587 1.9720759 1.40459802 0.7010684 -0.48549212 -0.412133 -5.04801736 -6.74232193 -11.13154685 -14.82516813 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.468E-7 3.2829999999E-7 7.3419999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.00001835 0.00004104 0.00009177 115-86-6 8289 144208709 A A Triphenyl phosphate O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3 Tox21_201511 -NCGC00163953-03 196708489 tox21-ror-cho-viability-p1 set2 -2.4 72.7253077472 -28.153147532 1 -27.153147532 4.9549173134 0.9797729584 5.12E-8 0.62963038 1.3353816 0.09580374 0.73324472 1.97079139 2.40991456 0.20675496 -0.63967874 0.43306959 -0.23384897 0.8239632 1.23622792 1.31467222 -0.43109543 -21.79428961 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00259119-01 196708899 tox21-ror-cho-viability-p1 set2 4 -3.28519974 -0.11026584 -1.88933429 -7.00840797 -4.22523109 -1.26929284 1.4877892 -1.71414356 1.63670617 -3.62188789 -4.03190841 -4.02977886 -2.94748077 -1.56182048 -1.15699061 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.3529999999E-7 0.0000016439999999 0.0000036769999999 0.000008221 0.000018379999999 0.00004111 0.00009192 76-06-2 6423 144208768 Chloropicrin ClC(Cl)(Cl)[N+]([O-])=O Tox21_201570 -NCGC00259911-01 196708900 tox21-ror-cho-viability-p1 set2 4 4.17299118 0.36042678 7.11129407 2.63462791 2.43299918 1.69974135 4.73408024 1.14723968 2.00297992 2.17824961 1.38898036 2.26517003 4.68520785 6.77399284 2.54591173 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.00004119 0.000092099999999 108-80-5 7956 144209560 A Cyanuric acid Oc1nc(O)nc(O)n1 Tox21_202362 -NCGC00259879-01 196708908 tox21-ror-cho-viability-p1 set2 4 77.0370913869 -16.611045492 2 -14.611045492 4.9549173134 0.8217669346 0.0049597236 1.13280974 0.50274881 -0.89489899 0.14951236 3.07616741 2.71840521 2.9132279 2.29500548 0.30943631 0.52893455 2.85705604 2.53691383 2.97793757 3.90639317 -11.34253791 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.476E-7 3.3009999999E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008253 0.00001846 0.00004127 0.000092279999999 302-79-4 444795 144209528 B C all-trans-Retinoic acid CC=1CCCC(C)(C)C=1/C=CC(\C)=C\C=C\C(\C)=C\C(=O)O Tox21_202330 -NCGC00259196-01 196708909 tox21-ror-cho-viability-p1 set2 4 4.28566804 0.29686648 0.87550262 -2.44559467 3.35789249 3.19207856 2.57450178 1.87688994 3.07481612 2.77005511 2.67548872 2.94792079 4.5493002 4.93642123 3.18248754 1.141E-9 2.552E-9 5.707E-9 1.276E-8 2.854E-8 6.381E-8 1.4269999999E-7 3.19E-7 7.134E-7 0.000001595 0.000003567 0.000007976 0.00001784 0.00003988 0.00008918 102-27-2 7603 144208845 A A N-Ethyl-3-methylaniline CCNc1cc(C)ccc1 Tox21_201647 -NCGC00259702-01 196709308 tox21-ror-cho-viability-p1 set2 4 -1.23852481 -1.88720537 -1.23955632 -2.66502793 -0.50328881 -2.78637673 -1.83167574 -1.13697293 -1.80365826 -1.87081864 -1.45148289 -1.26983131 -1.32007529 -2.58854878 -1.32397321 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.626E-8 1.482E-7 3.3129999999E-7 7.408E-7 0.000001656 0.000003704 0.000008282 0.00001852 0.000041409999999 0.000092599999999 136-40-3 8691 144209351 A A Phenazopyridine hydrochloride Cl.Nc2nc(N)ccc2/N=N/c1ccccc1 Tox21_202153 -NCGC00259869-01 196709310 tox21-ror-cho-viability-p1 set2 -2.1 60.8819825247 -101.2184726275 0.9709393819 -100.2475332456 2.9522712143 0.9966967061 0 0.5388703 0.00476066 3.2091416 1.43962302 1.26803865 1.24882038 1.57011581 2.41015549 1.75539936 -1.63585013 1.36798439 1.84255134 -3.28754249 -23.00270799 -77.08146458 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.4699999999E-7 3.2859999999E-7 7.3479999999E-7 0.000001643 0.000003674 0.0000082159999999 0.00001837 0.00004108 0.00009185 96-76-4 7311 144209518 A A 2,4-Di-tert-butylphenol CC(C)(C)c1cc(ccc1O)C(C)(C)C Tox21_202320 -NCGC00256454-01 196707268 tox21-ror-cho-viability-p1 set1 4 1.21323567 -0.35904323 1.55710546 -0.12810124 0.98923094 -10.95452616 -0.51422545 -0.58719045 -0.53628334 0.21751168 0.57335251 1.50884048 -0.51231993 3.87707282 3.02163687 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 108-01-0 7902 144213161 Ac Dimethylaminoethanol CN(C)CCO Tox21_302844 -NCGC00259129-01 196706857 tox21-ror-cho-viability-p1 set1 4 0.6268800606 18.713104484 -17.713104484 1 0.2 0.4141229255 0.2590694353 -16.42758707 -11.76562479 -14.08944365 -10.22050818 -5.35731585 -10.12407191 -11.89684639 -8.75604387 -10.11757496 -12.5859205 2.15662656 -11.78365612 -4.33965108 -5.20313018 -2.33989866 1.2049999999E-9 2.695E-9 6.026E-9 1.347E-8 3.013E-8 6.737E-8 1.506E-7 3.368E-7 7.5319999999E-7 0.0000016839999999 0.000003766 0.000008421 0.000018829999999 0.000042109999999 0.00009415 528-29-0 10707 144208778 A A 1,2-Dinitrobenzene O=[N+]([O-])c1ccccc1[N+]([O-])=O Tox21_201580 -NCGC00257287-01 196708017 tox21-ror-cho-viability-p1 set1 4 -5.0716298 -4.09229382 -8.44148863 -12.96747352 -9.06555494 -4.60703697 -11.97756474 0.7976688 -17.69205457 -4.98668879 -16.74979686 -0.96494517 0.73008232 -10.97965773 5.05842551 1.063E-9 2.377E-9 5.316E-9 1.189E-8 2.6579999999E-8 5.943E-8 1.3289999999E-7 2.971E-7 6.6439999999E-7 0.0000014859999999 0.0000033219999999 0.0000074289999999 0.00001661 0.00003714 0.00008305 53-70-3 5889 144213892 F F Dibenz(a,h)anthracene c1c4c5ccccc5ccc4cc3c1ccc2ccccc23 Tox21_303587 -NCGC00256656-01 196708013 tox21-ror-cho-viability-p1 set1 4 -7.91875192 -2.1752774 -0.91251481 5.09641745 0.01921113 -9.29614763 -0.86374336 5.86355289 -1.09206656 6.14157021 -0.20993882 6.25692124 -7.85046834 1.63030686 1.19916321 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68610-51-5 144213021 M M Poly(dicyclopentadiene-co-p-cresol) Tox21_302704 -NCGC00257441-01 196708015 tox21-ror-cho-viability-p1 set1 4 4.15634182 0.33124057 1.49671255 3.16538368 -0.04587997 0.95612489 0.64012996 3.85393005 4.22773731 -0.36058417 2.10462257 0.2284903 2.10022231 -4.79703305 -4.06857047 1.0679999999E-9 2.3869999999E-9 5.3379999999E-9 1.1939999999E-8 2.6689999999E-8 5.9679999999E-8 1.335E-7 2.9839999999E-7 6.6729999999E-7 0.0000014919999999 0.000003336 0.00000746 0.00001668 0.0000373 0.000083409999999 65505-17-1 47649 144213899 A Fns Methyl 2-methyl-3-furyl disulfide Cc1occc1SSC Tox21_303594 -NCGC00256432-01 196708028 tox21-ror-cho-viability-p1 set1 4 0.32604957 0.25292631 -5.85447798 3.16036444 -7.5822874 -2.73963491 -14.93519605 -2.24947328 -1.73050347 -9.88271801 -5.23327619 -14.52008515 -0.22608222 -3.9887731 -0.51532494 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.000019359999999 0.00004328 0.000096779999999 98-92-0 936 144213093 A A Niacinamide NC(=O)c1cccnc1 Tox21_302776 -NCGC00259620-01 196708427 tox21-ror-cho-viability-p1 set2 4 2.29422654 0.97540952 -0.26505295 0.54884585 0.43171286 0.27260216 0.30217178 0.83274554 1.19422045 0.97878748 -3.25970143 2.16472995 0.93433263 3.14413871 2.10462324 1.167E-9 2.61E-9 5.836E-9 1.305E-8 2.918E-8 6.525E-8 1.459E-7 3.262E-7 7.295E-7 0.000001631 0.000003648 0.000008156 0.000018239999999 0.00004078 0.00009119 104-76-7 7720 144209269 A A 2-Ethyl-1-hexanol CCC(CCCC)CO Tox21_202071 -NCGC00259517-01 196708444 tox21-ror-cho-viability-p1 set2 4 1.31960202 4.30914749 4.27527122 2.12913256 3.42840707 1.05872751 1.67420736 -0.94666466 -1.5817317 0.98856989 -0.2589211 3.14941515 4.33906987 5.48652564 1.93379541 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.000041259999999 0.000092249999999 114-26-1 4944 144209166 A A Propoxur CC(C)Oc1ccccc1OC(=O)NC Tox21_201968 -NCGC00258938-01 196708843 tox21-ror-cho-viability-p1 set2 4 0.68066377 0.39762943 3.20420666 1.69729067 1.39803885 1.03336649 -0.10529115 0.9344817 1.61943505 1.19507554 0.27091692 -0.51789053 2.9931124 2.94724057 0.78828712 1.173E-9 2.624E-9 5.867E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.28E-7 7.3329999999E-7 0.0000016399999999 0.000003667 0.0000081989999999 0.00001833 0.000041 0.00009167 141-32-2 8846 144208585 AC Fns Butyl acrylate C=CC(=O)OCCCC Tox21_201387 -NCGC00258987-01 196708844 tox21-ror-cho-viability-p1 set2 4 0.64821801 0.66687866 4.24380032 2.5355698 -0.12451105 1.00863815 2.14199935 -0.2183386 -0.12704529 1.37224723 3.02895497 4.37813105 3.1088326 0.42659632 4.8667808 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.552E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.000003662 0.00000819 0.00001831 0.00004095 0.00009156 108-65-6 7946 144208634 A A 1-Methoxy-2-propyl acetate CC(=O)OC(C)COC Tox21_201436 -NCGC00258949-01 196708851 tox21-ror-cho-viability-p1 set2 4 -0.13343141 0.81763771 -0.2992596 0.6948572 0.02617926 1.66151436 -0.80333417 1.71344924 2.91212078 3.50653395 0.89241164 1.16170347 3.12498527 2.69045358 2.87893358 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.331E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 556-67-2 11169 144208596 AC Octamethylcyclotetrasiloxane C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 Tox21_201398 -NCGC00259622-01 196708852 tox21-ror-cho-viability-p1 set2 -2.2 55.2037439078 -43.3248927392 1.9545157324 -41.3703770068 3.5117481694 0.9623741388 0.0000017457 5.78061186 -0.05924274 3.91497953 0.4632301 1.50557004 2.8200008 2.91408554 -2.42394284 0.8608787 0.00600324 2.97744253 2.4605038 0.90762976 -10.05166085 -35.12907349 1.193E-9 2.667E-9 5.9649999999E-9 1.3339999999E-8 2.982E-8 6.669E-8 1.491E-7 3.3339999999E-7 7.456E-7 0.0000016669999999 0.000003728 0.000008336 0.00001864 0.00004168 0.0000932 90-30-2 7013 144209271 A A N-Phenyl-1-naphthylamine c1ccc3ccccc3c1Nc2ccccc2 Tox21_202073 -NCGC00256485-01 196707202 tox21-ror-cho-viability-p1 set1 4 48.5577336745 13.2894513119 -0.7894513119 12.5 3.9899729863 0.6311806431 0.0763756616 -0.60465315 -2.00264077 -2.10773727 -4.82454276 -0.30477286 1.56119404 -2.29179568 1.09398577 -1.85985059 0.93378428 4.13210907 2.40449538 -4.80954676 3.76997954 11.61711815 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 15879-93-3 7057995 144213314 A A Chloralose OC[C@@H](O)[C@H]1O[C@@H]2O[C@@H](O[C@@H]2[C@H]1O)C(Cl)(Cl)Cl Tox21_302997 -NCGC00258881-01 196706796 tox21-ror-cho-viability-p1 set1 4 0.003004683 17.140052068 -17.140052068 0 0.4 0.409844941 0.2798246703 -13.45004339 -7.05741877 -1.75545963 -12.66456833 -2.13733782 -3.63395211 -3.89218541 -1.46454851 -7.28521123 0 4.20471217 0.08971588 -6.73988267 1.79926115 -4.36232124 1.1609999999E-9 2.595E-9 5.804E-9 1.298E-8 2.9019999999E-8 6.489E-8 1.451E-7 3.244E-7 7.255E-7 0.000001622 0.0000036269999999 0.000008111 0.00001814 0.000040549999999 0.00009068 6959-47-3 23392 144208527 A A 2-(Chloromethyl)pyridine hydrochloride Cl.ClCc1ccccn1 Tox21_201329 -NCGC00259081-01 196706799 tox21-ror-cho-viability-p1 set1 4 54.8707457568 -22.922407988 2 -20.922407988 2.5334283767 0.7055557051 0.0357791064 1.72499833 2.56661752 0.98964458 -6.0650786 0.22202433 2.40053567 2.84439592 4.56689051 9.68849606 0 3.07830357 3.11172869 0.34565289 -5.40131184 -16.18533999 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.4829999999E-7 3.317E-7 7.417E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.00004146 0.000092709999999 39515-41-8 47326 144208729 A A Fenpropathrin CC3(C)C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C Tox21_201531 -NCGC00022697-03 196712978 tox21-ror-cho-viability-p1 set2 4 1.90493007 2.16181558 -1.3945026 2.76546825 1.84360427 2.36337298 0.31481376 3.62367041 3.54435736 2.47349896 2.04245742 1.22713494 -1.53039264 0.84644603 2.11338325 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 155-41-9 5459110 170464623 A Scopolamine methylbromide [Br-].OC[C@H](c1ccccc1)C(=O)O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N+]3(C)C Tox21_110037_1 -NCGC00091073-07 196712575 tox21-ror-cho-viability-p1 set2 4 -0.33377554 -1.74444705 -1.97539238 -4.1438161 -0.19723809 -2.22355304 -3.13336632 -0.12026434 -1.53381147 -2.78807278 -1.15988714 0.09422646 1.5259767 0.66115662 0.21768201 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 333-41-5 3017 170466153 A Diazinon Cc1cc(OP(=S)(OCC)OCC)nc(n1)C(C)C Tox21_111077_1 -NCGC00093588-04 196712974 tox21-ror-cho-viability-p1 set2 4 0.18075705 3.03237281 0.71465679 2.36899969 1.01917331 2.20941552 1.36411845 -0.35607148 1.04521773 2.97176423 -1.72678333 1.14165264 -0.17683046 3.64233401 2.8875305 5.899E-11 1.319E-10 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 60-92-4 6076 170466839 A cAMP Nc4ncnc3c4ncn3[C@@H]2O[C@@H]1COP(=O)(O)O[C@H]1[C@H]2O Tox21_113510_1 -NCGC00262941-01 196712977 tox21-ror-cho-viability-p1 set2 4 -4.90535145 -4.31918757 -7.66825309 -7.08213936 -6.16530471 -3.62603737 -7.0524029 -6.2061571 -3.20282482 -4.05717832 -2.98398338 -2.49688139 -0.29024835 -3.70116507 -1.61262364 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118635-68-0 13713368 170465754 A A Ipenoxazone hydrochloride Cl.CC(C)C[C@H]3N(CCCN1CCCCCC1)C(=O)O[C@H]3c2ccccc2 Tox21_113934 -NCGC00179367-03 196712979 tox21-ror-cho-viability-p1 set2 4 13.3331902297 17.892816336 0.107183664 18 3.5117481694 0.8375797796 0.0048885919 -1.34659647 -0.63029538 -2.41619804 2.22910477 -3.66068028 -0.69700007 1.90474954 -1.88774347 1.22406197 1.0973232 2.7584362 1.37289418 2.94190357 17.11065394 3.69905472 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 73334-07-3 3736 170465023 I Iopromide O=C(Nc1c(I)c(c(I)c(c1I)C(=O)N(C)CC(O)CO)C(=O)NCC(O)CO)COC Tox21_110684_1 -NCGC00018210-05 196712981 tox21-ror-cho-viability-p1 set2 4 0.14286725 -0.52819464 1.53483792 -0.49441338 3.40642327 1.24245194 2.12550665 -1.1029696 0.81516082 3.65968282 1.91617041 0.70249932 3.62300679 0.05864147 1.6831689 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 125-52-0 66061 170465276 A Oxyphencyclimine hydrochloride Cl.CN3CCCN=C3COC(=O)C(O)(c1ccccc1)C2CCCCC2 Tox21_111416_1 -NCGC00168352-02 196712989 tox21-ror-cho-viability-p1 set2 4 -5.00482765 -0.20833324 -0.9879445 0.12549722 0.60880023 1.74975867 0.46101224 -0.32294587 0.71144154 0.77786552 -0.29087712 -0.19039552 -0.17109578 0 -6.09892291 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7696-12-0 83975 170466513 I Tetramethrin C\C(C)=C/C3C(C(=O)OCN2C(=O)C=1CCCCC=1C2=O)C3(C)C Tox21_112623_1 -NCGC00257021-01 196726713 tox21-ror-cho-viability-p1 set3 4 1.5355303643 -4.5393883359 -0.5 -5.0393883359 4.9549173134 0.3487405098 0.3390179398 -1.9144491 0.72426361 -2.497713 2.08836191 -2.11756901 -3.70672017 2.15557685 2.29772955 -1.26413248 -2.80383686 -12.94949028 -3.20448269 -3.15387759 -1.96814649 -0.01231732 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-14-9 7789 144213352 A A 12-Hydroxyoctadecanoic acid O=C(O)CCCCCCCCCCC(O)CCCCCC Tox21_303035 -NCGC00249926-01 196726299 tox21-ror-cho-viability-p1 set3 4 1.8747788 -5.17022955 2.19321513 -4.60404931 1.84327114 -4.64239381 -2.54053489 -2.19070798 -3.21519795 0.33021663 -2.09210322 -2.93796426 0.71830453 2.36695871 -3.90225382 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68252-19-7 65502 170466004 A A Pirmenol C[C@H]3CCC[C@@H](C)N3CCCC(O)(c1ccccc1)c2ccccn2 Tox21_113702 -NCGC00256869-01 196726707 tox21-ror-cho-viability-p1 set3 4 0.0043277126 -11.820127928 8 -3.820127928 0.6999999999 0.6033498272 0.0957613717 5.38533208 2.5268827 1.04812519 0.11839899 -1.81714352 -3.21601186 -3.58461479 -2.29885237 -1.4570211 -0.39502578 0.3146951 -3.8233117 -9.43343994 -5.37865374 -3.72517509 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-46-2 7193 144212778 A F Isopentyl benzoate CC(C)CCOC(=O)c1ccccc1 Tox21_302461 -NCGC00257003-01 196726708 tox21-ror-cho-viability-p1 set3 4 -0.26123072 -1.67925808 -6.47912096 0.0899533 2.89600665 1.84624346 0.45997543 -0.76209281 0.85347646 0.17994349 -1.39082442 -1.68801123 2.40076924 -0.2132463 -3.38513404 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-55-7 7993 144213645 Fns 3-(Dimethylamino)propylamine NCCCN(C)C Tox21_303328 -NCGC00256432-01 196726715 tox21-ror-cho-viability-p1 set3 4 0.82664788 0.00966751 0.64485316 2.26146748 1.00930258 4.2034175 3.8612284 3.51958592 2.45281605 4.75383139 0.79383047 1.26562999 -0.73815563 -2.64449149 1.78858732 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.000019359999999 0.00004328 0.000096779999999 98-92-0 936 144213093 A A Niacinamide NC(=O)c1cccnc1 Tox21_302776 -NCGC00257408-01 196727118 tox21-ror-cho-viability-p1 set3 4 -0.60504417 -0.64273365 -4.69657309 -0.42053181 -5.67588546 0.15142306 1.77035751 0.1124036 0.47326417 2.91467922 3.68974576 0.12069433 2.34223959 0.30194549 -0.02884718 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25496-72-4 5319879 144213851 Ac A Glyceryl monooleate OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC Tox21_303545 -NCGC00257041-01 196727122 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -95.3719725447 2.1085181315 -93.2634544132 4.0449729863 0.9789841599 6.32E-8 0.12668049 0.98880335 -1.82878712 0.41382719 3.96363531 -1.0226398 3.7370503 0.60603514 6.36312466 5.92687576 6.79671736 -0.78854149 0.27528353 -9.36121792 -71.03292001 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1918-16-7 4931 144213353 A B Propachlor CC(C)N(C(=O)CCl)c1ccccc1 Tox21_303036 -NCGC00015558-14 196722769 tox21-ror-cho-viability-p1 set3 4 1.333319023 -11.789732604 3 -8.789732604 3.5117481694 0.4007285557 0.2875023557 6.527878 -4.22695346 -2.5268433 2.88120512 11.41128203 -6.16298185 8.72214242 9.80593024 -6.18362167 7.51186352 -11.07477717 -7.47295575 -6.78946161 -8.55014622 -1.95339099 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7683-59-2 3779 170464679 Z Isoprenaline hydrochloride Oc1ccc(cc1O)C(O)CNC(C)C Tox21_110172_1 -NCGC00090942-03 196722753 tox21-ror-cho-viability-p1 set3 -1.1 30.6378586933 -66.317115001 -0.582161612 -66.899276613 4.5044702849 0.9883907219 2E-9 -0.56935711 -1.63287616 -1.17992106 -1.32605432 -0.429429 -0.65336338 -0.62794625 0.7099314 -2.66263533 1.48908655 -0.4773872 -2.60904804 -7.21619297 -51.73468567 -74.33252957 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00164526-02 196722756 tox21-ror-cho-viability-p1 set3 4 29.8492948118 12.332668652 0.167331348 12.5 4.5044702849 0.4402560717 0.2347911997 -0.57651398 0.36448249 -0.12705222 0.95193133 0.53941731 6.51053874 7.27559413 0.92245077 0.16421569 -3.2077341 -3.26654549 -3.61055721 -2.53964408 2.32275643 10.96754156 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54-30-8 5902 170465936 A Camylofin CC(C)CCOC(=O)C(NCCN(CC)CC)c1ccccc1 Tox21_112157_1 -NCGC00159383-04 196722758 tox21-ror-cho-viability-p1 set3 4 47.307944147 32 4 36 0.7 0.5031121007 0.1756105998 7.13511371 3.34023926 2.93628023 3.79906775 2.65020454 3.61916281 5.61386294 5.24179427 12.29591075 12.17622266 8.93999361 9.40010252 1.65371539 10.28900067 29.54430371 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2315-68-6 16846 170465563 F Propyl benzoate O=C(OCCC)c1ccccc1 Tox21_111621_1 -NCGC00015985-08 196723164 tox21-ror-cho-viability-p1 set3 4 -1.64008581 -3.82592107 0.57953524 -5.7336339 0.15592401 -0.27872662 -5.94019119 1.84148355 7.31046513 2.22077246 -0.22130007 -2.35718351 -2.32884121 -4.97997771 -0.58423332 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_45208 24871267 170466111 A Tracazolate hydrochloride Cl.O=C(OCC)c1c(NCCCC)c2cnn(CC)c2nc1C Tox21_110273_1 -NCGC00254240-01 196719913 tox21-ror-cho-viability-p1 set3 -2.1 68.5896218971 -92.3877256343 -5.640159784 -98.0278854183 4.9549173134 0.9529656228 0.0000060082 -13.59475937 -13.94117595 -7.32606335 -3.32944974 -8.72560414 -8.94792557 -4.06995109 -1.36744316 -4.70035253 -2.10372901 0.823911 -1.39361384 -6.66880642 -11.6406368 -80.57768684 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7173-51-5 23558 144210915 A A Didecyldimethylammonium chloride [Cl-].C[N+](C)(CCCCCCCCCC)CCCCCCCCCC Tox21_300598 -NCGC00254025-01 196719498 tox21-ror-cho-viability-p1 set3 -2.2 62.8417040508 -69.5738528896 -6.83226155 -76.4061144396 1.826479391 0.8899526143 0.0005172426 -11.47537073 -14.57500335 -7.93501324 -3.53707482 -9.48842083 -9.21948925 -4.52988746 -7.67563745 -3.45490275 -0.94901777 -5.90316107 -8.09886556 -19.72970392 -20.59194482 -57.88342003 1.097E-9 2.4529999999E-9 5.486E-9 1.2269999999E-8 2.7429999999E-8 6.133E-8 1.371E-7 3.0669999999E-7 6.857E-7 0.0000015329999999 0.0000034289999999 0.000007667 0.00001714 0.000038329999999 0.000085709999999 145-73-3 3225 144210414 A A Endothal OC(=O)C2C(C1CCC2O1)C(=O)O Tox21_300094 -NCGC00254617-01 196719504 tox21-ror-cho-viability-p1 set3 4 1.3089183545 12.60979628 -8.10979628 4.5 0.2 0.3711855203 0.3022287135 -6.5551641 -7.5914969 -1.46119397 -4.75958841 -2.91448917 -1.07649225 -5.86512141 -5.86995314 1.95486227 -0.94835764 -5.13623526 1.7991122 -3.90703317 2.88963836 0.96858771 1.137E-9 2.5419999999E-9 5.6829999999E-9 1.271E-8 2.842E-8 6.354E-8 1.421E-7 3.177E-7 7.104E-7 0.000001589 0.000003552 0.000007943 0.00001776 0.00003971 0.000088799999999 6192-52-5 521998 144211027 A A 4-Methylbenzenesulfonic acid hydrate O.Cc1ccc(cc1)S(O)(=O)=O Tox21_300710 -NCGC00254260-01 196719511 tox21-ror-cho-viability-p1 set3 1.4 0.0068589622 26.929586452 -24.929586452 2 0.3 0.7019832375 0.0373118186 -14.16131281 -17.85798871 -9.68542285 -4.37766163 -8.75580564 -13.99326252 -5.16353193 0.2231142 -2.78468321 -4.98563066 -3.83284399 -0.73367338 1.47777069 -2.44890264 3.65697122 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-45-2 7935 144210808 A A 1,3-Benzenediamine Nc1cccc(N)c1 Tox21_300490 -NCGC00254775-01 196719917 tox21-ror-cho-viability-p1 set3 4 0.0567648014 -7.926381068 9 1.073618932 0.8999999999 0.5406273228 0.1441308662 10.2040159 3.68496742 10.46276861 8.31965406 9.55280226 0.53832923 6.09848247 -2.43865089 4.27313314 -1.8065902 -0.16007464 3.47635729 2.85053379 0.19841527 1.43711785 1.344E-9 3.005E-9 6.719E-9 1.5019999999E-8 3.359E-8 7.512E-8 1.68E-7 3.7559999999E-7 8.398E-7 0.0000018779999999 0.000004199 0.000009389 0.000021 0.00004695 0.00010499999999 149877-41-8 176879 144211188 A A Bifenazate COc1ccc(cc1NNC(=O)OC(C)C)c2ccccc2 Tox21_300871 -NCGC00090760-08 196719925 tox21-ror-cho-viability-p1 set3 -3 76.4894813809 -37.398086716 -1 -38.398086716 4.9549173134 0.729505627 0.0262043951 -5.03012821 -8.55045322 -1.41991727 1.81463766 2.18870067 1.6722214 3.33271013 -7.7386188 2.5934543 1.23951665 -5.65631303 -7.0324175 3.81911855 1.39857006 -30.33173893 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00090780-04 196710988 tox21-ror-cho-viability-p1 set2 4 -0.364806 -1.44413641 0.66144205 1.63791676 0.03700559 5.00877292 -0.94710669 -0.64610947 0.72103264 0.81470503 -2.09010579 -1.1203631 -1.42447582 -1.60276857 -1.98917251 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00255756-01 196710571 tox21-ror-cho-viability-p1 set2 4 -0.32505012 -1.10881719 -1.73555159 -0.14586578 -2.60133451 1.320218 -1.78476356 -1.5599365 1.95606463 -2.38066597 1.85374431 -2.52278313 1.47086079 0.4853067 -1.86803586 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 542-28-9 10953 144212483 A Tetrahydro-2H-pyran-2-one O=C1CCCCO1 Tox21_302166 -NCGC00255624-01 196710969 tox21-ror-cho-viability-p1 set2 4 4.33715094 6.24615021 2.65363454 5.27968307 4.7985414 1.39928159 -0.08790864 1.13889737 0.13972343 1.15156207 1.51604692 -0.31303327 1.21053599 1.34381429 5.75748603 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55117-15-2 108675 144211947 A F 1-Chloro-2-(chloromethyl)-3-fluorobenzene ClCc1c(F)cccc1Cl Tox21_301630 -NCGC00066947-05 196710970 tox21-ror-cho-viability-p1 set2 4 0.0015355304 18.1270686399 -17.1270686399 1 4.9549173134 0.8951673166 0.0004151598 -14.2725572 0.87495011 -0.94779925 1.14673476 0.99878962 1.67931356 -0.38491299 1.05416502 -0.383628 0.71972066 2.36377154 1.38651799 1.6183852 -2.23630381 2.11002047 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00357240-01 196711403 tox21-ror-cho-viability-p1 set2 4 68.5896218971 20.100106996 -1.100106996 19 4.9549173134 0.8869561271 0.0005992161 -2.55730118 -2.33639045 -0.52409904 -2.92544884 0.0697506 -3.41675583 -2.29314719 -0.56734671 2.37059495 -1.68948158 -0.77371524 0.65849558 -0.9107768 -0.18722292 15.20044066 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 64436-13-1 47364 251919986 A Arsenobetaine C[As+](C)(C)CC([O-])=O Tox21_304031 -NCGC00260059-01 196711805 tox21-ror-cho-viability-p1 set2 4 82.4692444405 23.1475677399 -5.1475677399 18 4.9549173134 0.4633059334 0.2119191856 -2.5110818 -0.4365672 -3.15738726 -5.66482111 -5.03840114 -15.95630645 -2.1954918 0 -1.26168852 -6.49019172 -11.31660268 0 -11.44959531 -8.26462584 12.3181962 1.25E-9 2.794E-9 6.248E-9 1.3969999999E-8 3.124E-8 6.986E-8 1.562E-7 3.493E-7 7.811E-7 0.0000017459999999 0.000003905 0.0000087319999999 0.00001953 0.000043659999999 0.000097629999999 64-17-5 702 144209708 FNS Ethanol CCO Tox21_202510 -NCGC00259148-01 196708522 tox21-ror-cho-viability-p1 set2 4 77.4286392264 -20.805093164 -2 -22.805093164 4.9549173134 0.6997353205 0.0384516131 0.38240228 -6.85635427 -4.06532011 -8.34199565 -2.22318323 -0.57697656 -2.22787204 0.09040378 1.18517834 -0.36084725 -1.05816913 -2.53496025 0.26567242 -1.41594484 -18.17091097 1.1859999999E-9 2.651E-9 5.929E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008286 0.00001853 0.000041429999999 0.00009264 3089-11-0 62479 144208797 A A N,N,N',N',N'',N''-Hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine COCN(COC)c1nc(nc(n1)N(COC)COC)N(COC)COC Tox21_201599 -NCGC00256866-01 196708102 tox21-ror-cho-viability-p1 set1 4 76.9588215421 14.6827391279 -0.6827391279 14 4.9549173134 0.6733305942 0.0517974603 -0.91233475 1.36500054 0 -5.98561594 -0.67726668 -4.73011726 0.50210298 -1.61243914 0.07433338 -0.57349518 0.36988121 0.88928958 0.46415105 -1.42472166 10.69348315 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 39255-32-8 62902 144213029 Fns Ethyl 2-methylpentanoate CCCC(C)C(=O)OCC Tox21_302712 -NCGC00259003-01 196708506 tox21-ror-cho-viability-p1 set2 4 3.48438618 -2.34731355 -7.15781368 1.40623121 -1.53385619 -0.23997795 2.09550223 -0.33371913 0.13102366 -1.82963541 -0.16251302 -0.10029909 -1.3136816 1.83219289 0.08195553 1.167E-9 2.609E-9 5.8339999999E-9 1.305E-8 2.917E-8 6.523E-8 1.459E-7 3.261E-7 7.2929999999E-7 0.000001631 0.000003646 0.000008154 0.00001823 0.00004077 0.000091159999999 108-67-8 7947 144208650 AC Fc 1,3,5-Trimethylbenzene Cc1cc(C)cc(C)c1 Tox21_201452 -NCGC00259263-01 196708518 tox21-ror-cho-viability-p1 set2 4 1.14717707 -4.69066794 -0.04941806 0.30772613 -0.22606274 -0.37341388 0.50565593 -0.28009079 -0.6096696 1.35308686 0.01006464 0.51323322 2.28845265 1.75453783 0.54646379 1.179E-9 2.6359999999E-9 5.8929999999E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.294E-7 7.367E-7 0.0000016469999999 0.0000036829999999 0.000008236 0.00001842 0.000041179999999 0.00009208 89-32-7 6966 144208912 A A 1H,3H-Benzo(1,2-c:4,5-c')difuran-1,3,5,7-tetrone O=C2OC(=O)c1cc3c(cc12)C(=O)OC3=O Tox21_201714 -NCGC00163919-02 196708919 tox21-ror-cho-viability-p1 set2 4 3.41223409 -8.27328259 0.13898076 0.25593941 2.68581715 0.88913314 3.93161285 -3.20505055 -0.26580831 3.13268075 2.55442465 0.74226623 -3.37932639 -5.36043835 -0.24948578 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00259154-01 196708932 tox21-ror-cho-viability-p1 set2 -2.4 30.6690184797 -22.020145996 -1.5 -23.520145996 4.9549173134 0.9153845385 0.0002707433 -4.21612714 -4.06320772 1.54415016 -1.88120638 -0.96160249 -1.832088 -1.30051606 -0.61542344 -1.14585881 -2.6203645 -2.29083302 -0.83278243 -1.7653805 -21.26678833 -13.68850849 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.000041259999999 0.000092249999999 93-76-5 1480 144208803 A A 2,4,5-Trichlorophenoxyacetic acid Clc1cc(OCC(=O)O)c(Cl)cc1Cl Tox21_201605 -NCGC00256064-01 196710090 tox21-ror-cho-viability-p1 set2 4 -5.18780387 -0.48335501 2.0409762 -1.6321573 0.20853969 0.22554633 -0.0713595 -5.07407624 -3.88073713 -3.674483 -0.04981143 0.13104499 -4.50366933 -1.35361455 0.05689562 1.167E-9 2.609E-9 5.8339999999E-9 1.304E-8 2.917E-8 6.522E-8 1.458E-7 3.261E-7 7.2919999999E-7 0.000001631 0.000003646 0.000008153 0.00001823 0.000040759999999 0.00009115 81025-04-9 3067270 144212600 D-Lactitol monohydrate O.OC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO Tox21_302283 -NCGC00255764-01 196710085 tox21-ror-cho-viability-p1 set2 4 0.0128127987 15.4244997079 -13.4244997079 2 0.2 0.5061527448 0.1749353761 -11.18708309 -3.82455398 -3.67428374 -7.38331475 -8.73005597 -2.23904917 -2.7974977 -5.91158332 -2.5744327 -0.84120419 -4.5851164 0.36235992 -3.43552498 1.32875404 -0.70832665 8.376E-10 1.873E-9 4.188E-9 9.365E-9 2.094E-8 4.682E-8 1.0469999999E-7 2.3409999999E-7 5.2349999999E-7 0.0000011709999999 0.0000026179999999 0.000005853 0.00001309 0.00002926 0.00006544 157810-81-6 5462355 144212732 A A Indinavir sulfate O[C@H](CN1CCN(C[C@H]1C(=O)NC(C)(C)C)Cc2cccnc2)C[C@@H](Cc3ccccc3)C(=O)N[C@H]4c5ccccc5C[C@H]4O.O=S(=O)(O)O Tox21_302415 -NCGC00256033-01 196710089 tox21-ror-cho-viability-p1 set2 4 0.05225918 0.29009876 -3.59286452 -4.84302543 -2.88345522 -1.55101122 -0.45638453 -2.16312761 -8.32421615 -0.86524985 -2.94230295 -3.65157866 -2.06638292 -1.76238222 -1.183602 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 2212-32-0 75171 144212038 A Ac 2-{[2-(Dimethylamino)ethyl](methyl)amino}ethanol CN(C)CCN(C)CCO Tox21_301721 -NCGC00259036-01 196708884 tox21-ror-cho-viability-p1 set2 4 -0.20080903 0.83796152 -0.31278624 -1.75749955 -0.05747646 -2.10651768 -1.10510858 -1.14822566 -0.65971682 -3.21707093 -0.00071457 -0.50658337 -1.19279377 -0.18488013 1.26470933 1.182E-9 2.6429999999E-9 5.91E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.304E-7 7.387E-7 0.0000016519999999 0.0000036939999999 0.000008259 0.000018469999999 0.000041299999999 0.00009234 110-98-5 8087 144208683 A I 1,1'-Oxybis-2-propanol CC(O)COCC(C)O Tox21_201485 -NCGC00259754-01 196708452 tox21-ror-cho-viability-p1 set2 4 -0.33553603 0.52932728 1.48017026 -2.36449532 0.24480938 -2.27807994 -3.23817986 -2.56243947 -3.66054744 -1.44911174 -1.25234347 -1.62772255 -2.49204454 -3.28447305 -3.03839538 1.148E-9 2.567E-9 5.7409999999E-9 1.284E-8 2.87E-8 6.418E-8 1.4349999999E-7 3.209E-7 7.176E-7 0.0000016049999999 0.0000035879999999 0.000008023 0.00001794 0.00004011 0.0000897 15972-60-8 2078 144209403 A B Alachlor ClCC(=O)N(COC)c1c(cccc1CC)CC Tox21_202205 -NCGC00258918-01 196708453 tox21-ror-cho-viability-p1 set2 -2.4 54.5935042736 -28.5210235639 0.5 -28.0210235639 2.0437424601 0.9033733552 0.0002730752 1.63478092 0.18586056 1.12028092 1.47818828 1.13007843 1.20896718 -0.67512065 -0.89640636 2.30878569 2.04408681 0.50038277 -6.03133526 -0.42419876 -9.50085056 -20.85085297 1.182E-9 2.6429999999E-9 5.91E-9 1.322E-8 2.955E-8 6.608E-8 1.4779999999E-7 3.304E-7 7.388E-7 0.0000016519999999 0.0000036939999999 0.0000082599999999 0.000018469999999 0.000041299999999 0.00009235 50-22-6 5753 144208564 A A Corticosterone OCC(=O)[C@H]4CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_201366 -NCGC00090910-03 196708458 tox21-ror-cho-viability-p1 set2 4 0.77083637 1.89199188 1.14955826 0.12747045 -0.3197552 0.05550902 3.588331 -1.57452256 0.73674556 -0.13179783 0.78648474 -0.47944299 1.67777717 0.30075068 0.84008201 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00259153-01 196708887 tox21-ror-cho-viability-p1 set2 -2.2 59.7654606591 -38.7944824915 -4.843684552 -43.6381670435 3.1319983358 0.7506787623 0.0192666735 -10.55587311 -8.61696078 -9.73497536 -12.97390406 -1.19598661 -0.70640181 -12.6072141 -1.61930599 -0.70307046 -1.51869098 -1.44307969 -3.18524878 -2.23218832 -14.22604182 -35.33194473 1.158E-9 2.589E-9 5.789E-9 1.2949999999E-8 2.8949999999E-8 6.473E-8 1.447E-7 3.2359999999E-7 7.237E-7 0.000001618 0.000003618 0.000008091 0.000018089999999 0.00004046 0.000090459999999 503-74-2 10430 144208802 A A Isovaleric acid CC(C)CC(=O)O Tox21_201604 -NCGC00259244-01 196709293 tox21-ror-cho-viability-p1 set2 4 -0.56843011 -0.40784115 1.89951775 0.42435492 0.27021348 -3.11917883 1.96319423 -0.61484562 -4.4392412 -0.63589162 -2.0513499 -0.32715716 -0.32448881 2.68744925 2.2206433 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.484E-7 3.317E-7 7.4179999999E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.000041469999999 0.000092719999999 7398-69-8 33286 144208893 B A Dimethyldiallylammonium chloride [Cl-].C=CC[N+](C)(C)CC=C Tox21_201695 -NCGC00259612-01 196709294 tox21-ror-cho-viability-p1 set2 4 1.48928507 0.80375529 0.11638558 0.87100595 5.69929694 0.98207954 4.50450755 -0.80917148 -0.99070491 1.15090704 0.24307626 0.06882798 5.73638236 5.30776893 -0.81582227 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 93-46-9 7142 144209261 A A N,N'-Di-2-naphthyl-p-phenylenediamine c1cc5ccccc5cc1Nc2ccc(cc2)Nc3cc4ccccc4cc3 Tox21_202063 -NCGC00259177-01 196709299 tox21-ror-cho-viability-p1 set2 -2.1 43.8057889539 -97.0053355882 -1.563048587 -98.5683841752 1.8851180601 0.983716341 1.44E-8 1.41201301 -2.67422032 -1.7789161 -6.9529665 0.03481928 -1.54790399 -0.63280396 -1.86139147 -1.17673851 -2.4258708 0.66466029 -8.56093493 -10.96699541 -51.18360605 -79.21847286 1.1919999999E-9 2.6649999999E-9 5.959E-9 1.332E-8 2.98E-8 6.662E-8 1.49E-7 3.331E-7 7.449E-7 0.0000016659999999 0.000003724 0.0000083279999999 0.00001862 0.00004164 0.00009311 628-63-7 12348 144208826 AC Pentyl acetate CC(=O)OCCCCC Tox21_201628 -NCGC00259267-01 196709694 tox21-ror-cho-viability-p1 set2 4 4.8804741913 10.3789162241 0.6210837759 11 1.0999999999 0.7035078245 0.0456359632 -0.97929003 0.79252036 -1.56576352 7.39876451 -0.51821535 0.35329517 1.18298147 0.63629012 1.56224994 1.07110264 5.85417826 8.04334006 10.34026759 8.67145035 -1.08434856 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6239999999E-8 1.481E-7 3.312E-7 7.405E-7 0.000001656 0.0000037029999999 0.000008279 0.00001851 0.0000414 0.000092569999999 25155-30-0 23707968 144208916 FNS Sodium dodecylbenzenesulfonate [Na+].O=S([O-])(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_201718 -NCGC00254011-01 196714635 tox21-ror-cho-viability-p1 set2 -2.2 61.130564862 -43.9322318503 -2.5 -46.4322318503 1.6266150999 0.9319955946 0.0000442299 -1.9163769 0.91725171 -1.51061606 0.95297101 -4.65800709 -2.76049335 -2.1982174 -3.68758207 -6.76098021 -5.09084766 -2.99768109 -4.6837218 -9.29173843 -15.19565436 -35.17593322 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 127308-82-1 3086618 144210530 A A Zamifenacin c1cc(cc2OCOc12)CCN5CCC[C@@H](OC(c3ccccc3)c4ccccc4)C5 Tox21_300210 -NCGC00090874-04 196714638 tox21-ror-cho-viability-p1 set2 4 1.66979282 2.17141634 2.37034186 1.54660817 -1.10549435 1.64153187 0.39242269 0.24335746 -0.41353586 0.31063428 0.76729922 -0.52467929 1.89862228 -0.27235061 0.68001692 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00255359-01 196728378 tox21-ror-cho-viability-p1 set3 4 9.6885416101 23.083507248 -5.083507248 18 2.7202212143 0.7263198166 0.0345518411 3.24553999 -4.21130821 -2.23841276 4.18342911 -9.09807862 -8.11405935 -10.16336117 -7.22162614 -12.98625604 -6.57775639 -1.2124057 2.87000649 17.06401225 15.95508493 1.82705796 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-07-0 8416 144211840 A A N-Phenyldiethanolamine OCCN(CCO)c1ccccc1 Tox21_301523 -NCGC00256093-01 196727960 tox21-ror-cho-viability-p1 set3 2.2 19.3115248013 44.358850394 0.400348194 44.759198588 3.9899729863 0.8473056438 0.0037435746 -14.35551911 -2.33689515 3.13099616 1.49725926 0.05449101 -0.31999279 4.2327288 5.32856667 3.50987969 4.36090045 5.15787893 -3.0496204 20.40057716 43.15762173 22.1115761 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 31895-22-4 35969 144212698 F Fns Thiocyclam oxalate CN(C)C1CSSSC1.O=C(O)C(=O)O Tox21_302381 -NCGC00256065-01 196727974 tox21-ror-cho-viability-p1 set3 4 -0.94705375 2.80891816 -1.30591408 -1.51709869 2.00938653 -0.76865509 5.62629951 -0.20255322 2.53253041 1.50892092 0.27063742 -1.30523527 0.9870706 -3.78858595 -1.01942928 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 34443-12-4 61931 144211602 F F tert-Butylperoxy 2-ethylhexyl carbonate CC(C)(C)OOC(=O)OCC(CCCC)CC Tox21_301285 -NCGC00255618-01 196728367 tox21-ror-cho-viability-p1 set3 -2.2 58.5289475054 -48.3174739198 1.0289842409 -47.2884896789 2.9522712143 0.8235525643 0.0046512762 0.55382689 1.85558032 -3.18748973 2.76067732 7.00123814 -2.10747027 8.03140328 -6.03948854 8.19559599 -5.86114546 1.66685615 -4.04977397 -0.14220867 -10.51086546 -36.5145616 1.1379999999E-9 2.546E-9 5.692E-9 1.2729999999E-8 2.8459999999E-8 6.3639999999E-8 1.423E-7 3.182E-7 7.115E-7 0.0000015909999999 0.0000035579999999 0.000007955 0.000017789999999 0.00003978 0.00008894 71422-67-8 91708 144211884 A Chlorfluazuron Fc1cccc(F)c1C(=O)NC(=O)Nc3cc(Cl)c(Oc2ncc(cc2Cl)C(F)(F)F)c(Cl)c3 Tox21_301567 -NCGC00255331-01 196728379 tox21-ror-cho-viability-p1 set3 -2.1 13.1697423712 -93.2150520139 1.0602097619 -92.154842252 1.17051 0.9696176813 5.212E-7 0.03820857 -4.71031995 -0.33103905 4.03634432 4.41238585 1.98344474 2.13562363 5.51886717 -2.17077099 -16.26957607 -6.33487169 -17.52977626 -46.39534314 -64.37880975 -78.87903521 7.7859999999E-10 1.7409999999E-9 3.893E-9 8.705E-9 1.947E-8 4.353E-8 9.733E-8 2.176E-7 4.8659999999E-7 0.000001088 0.000002433 0.0000054409999999 0.000012169999999 0.000027199999999 0.00006083 2353-45-9 16887 144212403 A A FD&C Green No. 3 [Na+].[Na+].CC/[N+](Cc1cccc(c1)S([O-])(=O)=O)=C2\C=C/C(C=C2)=C(\c3ccc(cc3)N(Cc4cccc(c4)S([O-])(=O)=O)CC)c5ccc(O)cc5S([O-])(=O)=O Tox21_302086 -NCGC00256073-01 196728382 tox21-ror-cho-viability-p1 set3 4 12.1971512362 -10.79826332 3.5 -7.29826332 2.2526478767 0.5558055728 0.1311830462 0 2.54413776 -0.43661626 7.54068211 6.7786121 -2.39595968 -0.10700034 6.87101174 6.79211659 7.49785575 -0.82702633 2.31069982 -5.95049032 -7.3318861 -5.69298882 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5989-54-8 439250 144212612 F Fns (S)-Limonene CC1=CC[C@H](CC1)C(C)=C Tox21_302295 -NCGC00255420-01 196728387 tox21-ror-cho-viability-p1 set3 4 61.130564862 -19.2719838359 2.5 -16.7719838359 2.9522712143 0.8842208341 0.0006749866 2.62233275 3.82552327 6.79333367 2.61502238 1.71826685 2.14802726 1.66540911 1.93150054 2.33359052 1.51638219 2.9200294 0.4093761 1.07494913 -1.97402924 -12.30998653 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 317318-84-6 9934458 144212728 A A {4-[({2-[3-Fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl}methyl)sulfanyl]-2-methylphenoxy}acetic acid O=C(O)COc1ccc(cc1C)SCc2sc(nc2C)c3cc(F)c(cc3)C(F)(F)F Tox21_302411 -NCGC00255176-01 196728785 tox21-ror-cho-viability-p1 set3 4 0.0021689943 10.82029122 -8.82029122 2 3.9294729863 0.4410445305 0.2513238108 -7.76690935 -1.74463284 4.33784534 2.19411491 -0.35779028 4.20504104 5.74688071 2.80458735 -0.60121095 4.56611181 3.88690515 1.8872421 -5.69880391 -0.96307949 -4.98099363 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 341-69-5 9568 144212244 A A Orphenadrine hydrochloride Cl.CN(C)CCOC(c1ccccc1)c2ccccc2C Tox21_301927 -NCGC00256261-01 196728801 tox21-ror-cho-viability-p1 set3 4 0.1368542878 7.138928472 -1.638928472 5.5 3.9899729863 0.4233171393 0.2500353476 1.60926593 -3.22988879 -3.72503919 1.77864179 -1.81374985 -4.69910706 3.06780645 5.89118422 11.10417172 5.79984488 12.70821708 7.60897064 0.31221596 -2.68970852 2.53428457 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4536-30-5 24750 144211910 A F 2-(Dodecyloxy)ethanol OCCOCCCCCCCCCCCC Tox21_301593 -NCGC00259151-01 196721551 tox21-ror-cho-viability-p1 set3 4 17.3341131367 14.335636756 -12.335636756 2 2.5334283767 0.6860605444 0.0447446454 -18.61303063 -15.90103297 -6.99094399 -7.95419824 -12.09284378 -15.75758434 -14.51989324 -6.53637954 -12.50146304 -11.40477496 -10.62243593 -11.17786712 -4.49280233 0.50321521 2.10344683 1.1859999999E-9 2.651E-9 5.929E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008286 0.00001853 0.000041429999999 0.00009264 110-97-4 8086 144208800 A A Diisopropanolamine CC(O)CNCC(C)O Tox21_201602 -NCGC00259178-01 196721151 tox21-ror-cho-viability-p1 set3 4 -0.35849758 -12.69291347 0.745887 -6.49009692 -9.89231714 -2.01446698 -0.26415962 0.31842563 -15.40380127 -3.71392857 -1.20293092 -3.61901733 3.19645437 5.90842102 -6.49124439 1.2009999999E-9 2.6849999999E-9 6.0029999999E-9 1.3419999999E-8 3.002E-8 6.712E-8 1.501E-7 3.356E-7 7.5039999999E-7 0.0000016779999999 0.0000037519999999 0.0000083889999999 0.00001876 0.00004195 0.000093799999999 112-60-7 8200 144208827 D Tetraethylene glycol OCCOCCOCCOCCO Tox21_201629 -NCGC00259507-01 196721174 tox21-ror-cho-viability-p1 set3 4 31.8256106956 11.1440567559 -1.1440567559 10 0.7999999999 0.4483081929 0.2276870263 3.1543806 -8.45338063 -4.25168548 2.05819011 1.17582867 -0.48865389 -0.91688132 0.79091375 -0.82320614 0.00808443 0.07618245 2.26375535 1.16470807 7.16353808 6.19437723 1.218E-9 2.7239999999E-9 6.091E-9 1.3619999999E-8 3.045E-8 6.81E-8 1.5229999999E-7 3.405E-7 7.6139999999E-7 0.000001702 0.0000038069999999 0.000008512 0.00001903 0.00004256 0.00009517 1563-38-8 15278 144209156 A A 2,3-Dihydro-2,2-dimethyl-7-benzofuranol Oc1cccc2CC(C)(C)Oc12 Tox21_201958 -NCGC00259558-01 196721552 tox21-ror-cho-viability-p1 set3 -1.1 15.2616579691 -107.0087063687 -2.7594419509 -109.7681483196 1.826479391 0.9838810567 1.36E-8 -2.33839416 -2.96869044 -2.65629031 8.74050367 -1.57481686 -6.56167548 -6.26954436 -4.58260336 -4.20832554 -1.45390453 -14.32151761 -30.4468702 -60.34076071 -101.63717437 -100.73562069 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.00009175 81741-28-8 9889168 144209207 A A Tributyltetradecylphosphonium chloride [Cl-].CCCC[P+](CCCC)(CCCC)CCCCCCCCCCCCCC Tox21_202009 -NCGC00259909-01 196721561 tox21-ror-cho-viability-p1 set3 4 -6.94282552 -4.69496587 -1.93746896 0.3382316 -0.98928173 -2.47300372 -2.56691797 -4.83935722 -5.22286538 -3.31509307 -2.97133238 -2.36508619 -6.15619002 1.27897208 -3.00164071 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.00001889 0.00004225 0.00009447 28249-77-6 34192 144209558 A A Thiobencarb Clc1ccc(CSC(=O)N(CC)CC)cc1 Tox21_202360 -NCGC00259116-01 196721562 tox21-ror-cho-viability-p1 set3 -1.2 15.6211492026 -41.4606918394 -3.822006399 -45.2826982384 1.4641 0.9031033708 0.0002748649 -11.03767551 -6.13920732 0.93408396 6.71801987 -3.67311591 -9.49019677 -6.25685441 -2.99102849 -6.10939895 -1.84181756 -7.04220231 -15.41554902 -28.97858186 -35.57549666 -41.50204412 1.197E-9 2.677E-9 5.986E-9 1.339E-8 2.993E-8 6.693E-8 1.497E-7 3.346E-7 7.4829999999E-7 0.000001673 0.000003741 0.000008366 0.00001871 0.00004183 0.00009353 613-13-8 11937 144208765 A D 2-Aminoanthracene Nc1ccc2cc3ccccc3cc2c1 Tox21_201567 -NCGC00259181-01 196721563 tox21-ror-cho-viability-p1 set3 4 66.8495335237 -22.270495408 -1 -23.270495408 2.5884283767 0.4063743968 0.2658338134 -1.54310089 3.99082524 -4.53183726 8.42671974 -2.67002327 -14.17927334 -0.2403365 1.33069647 2.75546739 -3.50030546 -0.22835779 -2.92958952 -1.86313215 -5.4044323 -16.47541284 1.155E-9 2.582E-9 5.7739999999E-9 1.291E-8 2.887E-8 6.4549999999E-8 1.443E-7 3.2279999999E-7 7.217E-7 0.000001614 0.0000036089999999 0.000008069 0.000018039999999 0.00004035 0.00009022 76-03-9 6421 144208830 Trichloroacetic acid ClC(Cl)(Cl)C(=O)O Tox21_201632 -NCGC00259715-01 196721570 tox21-ror-cho-viability-p1 set3 4 0.0430571659 -7.166924688 -2.769610544 -9.936535232 0.4 0.4302757078 0.2465633055 -7.07709883 -3.67631754 -4.48611595 -0.64134212 -6.88069519 -10.40324456 -5.56906249 -9.81805452 -7.96617212 -6.47164622 -9.01104598 -9.36464959 -11.61377936 -7.54316205 -10.26197944 1.175E-9 2.626E-9 5.873E-9 1.3129999999E-8 2.936E-8 6.566E-8 1.468E-7 3.2829999999E-7 7.341E-7 0.000001641 0.0000036699999999 0.000008207 0.00001835 0.00004104 0.00009176 13674-87-8 26177 144209364 A A TDCPP ClCC(OP(=O)(OC(CCl)CCl)OC(CCl)CCl)CCl Tox21_202166 -NCGC00258822-01 196721953 tox21-ror-cho-viability-p1 set3 4 26.9454243393 12.0503866639 -3.5503866639 8.5 4.9549173134 0.7668003782 0.0149998602 -3.84604358 -7.12532222 -5.97419295 -1.70500471 1.06464943 -4.08244032 -4.32175292 -5.57675613 -5.59671593 -0.37412076 -2.43436803 -1.60146914 -3.04897206 8.05440257 8.11143863 1.167E-9 2.6109999999E-9 5.837E-9 1.305E-8 2.919E-8 6.5259999999E-8 1.459E-7 3.2629999999E-7 7.297E-7 0.0000016319999999 0.000003648 0.0000081579999999 0.000018239999999 0.000040789999999 0.000091209999999 111-21-7 8098 144208468 A A Triethylene glycol diacetate O=C(C)OCCOCCOCCOC(C)=O Tox21_201270 -NCGC00257267-01 196718257 tox21-ror-cho-viability-p1 set2 4 -9.14126653 -10.49805192 -7.5396333 -1.47067375 -8.24813272 -16.09916846 -1.70349446 -4.11296682 -7.36134354 -11.85903835 -1.28474891 -2.29817902 -5.19262566 -10.50746647 -6.74206783 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_48518 16036578 144213891 A A PharmaGSID_48518 O=S(=O)(/C=C/c1cccs1)NC(=O)c2ccc(F)cc2Br Tox21_303586 -NCGC00090760-08 196717834 tox21-ror-cho-viability-p1 set2 -3 68.1713220381 -48.9119611852 -1.142164367 -50.0541255522 4.5044702849 0.9701638572 4.719E-7 -0.14086219 1.6961472 1.09856641 0.56411742 -4.63570829 -1.62639101 -3.09594827 -2.58286849 -0.58291308 -1.70195381 0.83216779 -1.9148232 -2.67532095 -5.21006433 -39.72549647 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00095255-08 196717846 tox21-ror-cho-viability-p1 set2 4 -1.29849695 -3.16051596 -1.67557967 -4.44886321 -3.61208674 -0.87651622 1.5913533 0.50341792 -2.59225111 -4.11242965 -6.51849627 -5.92889652 -5.84082372 -5.999751 -2.82602527 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52225-20-4 86472 170465444 F dl-alpha-Tocopheryl acetate CC(=O)Oc2c(C)c(C)c1O[C@@](C)(CCc1c2C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C Tox21_113467_1 -NCGC00255944-01 196710583 tox21-ror-cho-viability-p1 set2 4 0.57144182 2.23544837 2.30771459 1.66987314 -0.1224623 1.83557144 -0.17552175 1.95950906 -0.8413681 2.74269519 0.04194731 1.7948278 0.25707733 0.36102793 5.03959534 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 149-45-1 9001 144212465 A Ac Tiron [Na+].[Na+].Oc1c(O)cc(cc1S(=O)([O-])=O)S([O-])(=O)=O Tox21_302148 -NCGC00255200-01 196710579 tox21-ror-cho-viability-p1 set2 4 -5.58480359 0.21004406 0.58798622 -0.57128807 -0.15394157 -0.27477661 -0.23821841 1.04775673 -0.1483898 1.95315931 1.0981262 0.28845323 -3.31840675 -1.06434053 3.94595426 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-65-6 6488 144212564 A A Carbromal CCC(Br)(CC)C(=O)NC(N)=O Tox21_302247 -NCGC00255635-01 196710580 tox21-ror-cho-viability-p1 set2 4 3.91273636 0.98681164 1.29345879 1.30700195 0.95936868 -0.35772072 1.4775278 -0.63064698 0.14837794 4.73525991 0.89009228 2.26349634 1.44670532 2.55793369 -0.58699893 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5205-93-6 78882 144211988 A A N-[3-(Dimethylamino)propyl]methacrylamide CN(C)CCCNC(=O)C(=C)C Tox21_301671 -NCGC00090702-02 196710582 tox21-ror-cho-viability-p1 set2 2.4 54.4826732819 26.2659504559 -3.7659504559 22.5 3.9899729863 0.813002049 0.0060003646 -2.59688824 -6.94593703 -1.38893882 -7.05732026 -7.72162538 -0.45143726 0.44253649 -6.78884227 -4.54410418 1.85898727 -6.52220925 -5.60786656 -4.48091271 3.25930752 19.68359087 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00255453-01 196710587 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -20.197484556 -2 -22.197484556 1.9673362061 0.689716058 0.0432509699 -0.99277954 -0.02027066 -2.64324919 -5.30886945 -3.71775518 -6.9856115 0.22011265 -1.88419619 -1.43420133 -2.07715487 0.56132046 -3.2105249 -5.80947388 -3.72507854 -16.83123713 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5930-28-9 80037 144211957 A A 4-Amino-2,6-dichlorophenol Clc1cc(N)cc(Cl)c1O Tox21_301640 -NCGC00256010-01 196711002 tox21-ror-cho-viability-p1 set2 -2.2 13.1383905197 -63.5449683539 0.4786134659 -63.066354888 1.4163171 0.9904677507 6E-10 -3.00479049 1.16377947 -2.11390176 0.95188664 2.35970659 2.0727539 -2.92293334 0.19315729 2.6585696 -0.85862097 -4.55249624 -16.2034571 -32.69170565 -46.76193843 -57.55529574 8.553E-10 1.913E-9 4.276E-9 9.563E-9 2.138E-8 4.7809999999E-8 1.0689999999E-7 2.391E-7 5.3459999999E-7 0.000001195 0.000002673 0.000005977 0.000013359999999 0.00002988 0.000066819999999 62625-32-5 6024631 144211753 F Bromocresol green sodium salt [Na+].CC=1C(\C=C(Br)C(=O)C=1Br)=C(/c2cc(Br)c(O)c(Br)c2C)c3ccccc3S([O-])(=O)=O Tox21_301436 -NCGC00259509-01 196709361 tox21-ror-cho-viability-p1 set2 4 2.28720754 0.55906917 1.03998029 -0.01133504 3.36990463 0.79451083 0.01682225 0.81336237 0.81405683 0.98344904 -0.3368725 -2.48915768 -2.45772348 -4.71486006 -4.04504985 1.177E-9 2.6319999999E-9 5.8849999999E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.0000036779999999 0.000008225 0.00001839 0.00004113 0.00009196 98-11-3 7371 144209158 A A Benzenesulfonic acid O=S(O)(=O)c1ccccc1 Tox21_201960 -NCGC00259235-01 196708948 tox21-ror-cho-viability-p1 set2 -2.4 43.2331187906 -30.1801384839 1.5 -28.6801384839 1.9673362061 0.9827954033 2E-8 2.24981935 1.45368504 0.91275487 0.58053423 0.29419218 2.30462996 1.95549084 3.45914702 1.88165018 0.20143545 2.02321218 0.67202167 -1.90712758 -13.55790883 -23.06678207 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 427-51-0 9880 144208884 A A Cyproterone acetate CC(=O)[C@@]4(OC(C)=O)CC[C@H]3[C@@H]5C=C(Cl)C2=CC(=O)[C@@H]1C[C@@H]1[C@]2(C)[C@H]5CC[C@@]34C Tox21_201686 -NCGC00259276-01 196708950 tox21-ror-cho-viability-p1 set2 4 2.76820754 2.81162373 3.69740239 1.68074162 2.96001675 1.47079991 1.1200962 3.77159391 2.85028825 3.69992671 3.6431094 5.32104939 3.21270906 1.49721597 -1.1060134 1.171E-9 2.618E-9 5.8529999999E-9 1.3089999999E-8 2.927E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.317E-7 0.0000016359999999 0.000003658 0.0000081809999999 0.00001829 0.0000409 0.00009146 463-40-1 5280934 144208925 A A Linolenic acid O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC Tox21_201727 -NCGC00259089-01 196708952 tox21-ror-cho-viability-p1 set2 4 1.73147883 -3.02669672 0.85380683 -2.05389437 -1.27473488 -2.36312041 -3.34627188 -3.30588678 -3.22504897 -2.36023156 -2.1026778 0.72718766 -1.98246985 0.05881154 -1.00605913 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004132 0.0000924 1934-21-0 5359657 144208737 A F FD&C Yellow 5 [Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)/N=N/C3=C(NN(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O Tox21_201539 -NCGC00259434-01 196709363 tox21-ror-cho-viability-p1 set2 4 0.08385573 0.15105388 -4.52431129 -3.31605262 -3.06019311 3.3336199 -0.37419009 1.95346064 -2.19747104 2.99619585 -0.00582704 0.91149668 -0.29678082 2.10304094 -2.04176517 1.1689999999E-9 2.6129999999E-9 5.843E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.461E-7 3.2659999999E-7 7.3029999999E-7 0.0000016329999999 0.000003652 0.0000081649999999 0.00001826 0.000040829999999 0.00009129 143-22-6 8923 144209083 A A 2-[2-(2-Butoxyethoxy)ethoxy]ethanol OCCOCCOCCOCCCC Tox21_201885 -NCGC00259255-01 196709366 tox21-ror-cho-viability-p1 set2 4 0.07217444 3.56886589 0.69410135 2.2100425 -0.413028 1.25456346 -0.11024062 0.03306371 1.18949383 0.57767488 -1.333384 1.3842109 0.38669262 1.44733067 -1.42557006 1.166E-9 2.6069999999E-9 5.83E-9 1.304E-8 2.9149999999E-8 6.518E-8 1.457E-7 3.259E-7 7.287E-7 0.000001629 0.0000036439999999 0.000008147 0.00001822 0.00004074 0.00009109 96-29-7 7292 144208904 I I 2-Butanone oxime C/C(CC)=N\O Tox21_201706 -NCGC00260457-01 196711789 tox21-ror-cho-viability-p1 set2 4 0.6318776017 -11.6053593599 0.5 -11.1053593599 4.9549173134 0.8671493645 0.0012897553 0.04834641 1.33827736 1.59807476 -0.5113446 -0.34480545 -0.01117742 -0.374978 1.29109035 -8.12905825 -10.30955531 -8.81191623 -6.76598696 -10.88500097 -17.1711328 -11.16294341 1.213E-9 2.7119999999E-9 6.064E-9 1.3559999999E-8 3.0319999999E-8 6.78E-8 1.516E-7 3.39E-7 7.58E-7 0.000001695 0.0000037899999999 0.000008475 0.00001895 0.000042369999999 0.00009475 290-37-9 9261 144210109 Ac Pyrazine c1cnccn1 Tox21_202911 -NCGC00091759-02 196711363 tox21-ror-cho-viability-p1 set2 4 54.4826732819 17.9656466401 0.0343533599 18 0.3 0.6372101108 0.072697426 0.49104196 -1.09637235 1.80913575 2.63704467 -1.2213722 3.51510588 6.05446454 4.55387286 5.79541143 2.81633351 5.34774398 4.2198093 6.30134345 6.00105603 14.47952115 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00259810-01 196711379 tox21-ror-cho-viability-p1 set2 4 -4.87891892 -4.27941249 -7.59612027 -5.8063176 -34.61077562 -22.90598428 -10.04932603 -10.56280945 -13.2989495 -3.19318484 -1.90118062 -10.40553055 -6.69822401 -3.30033426 -2.35802718 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-56-3 7340 144209459 A A 2-Amino-5-azotoluene Cc2cc(/N=N/c1ccccc1C)ccc2N Tox21_202261 -NCGC00260287-01 196711788 tox21-ror-cho-viability-p1 set2 4 4.6243332752 -21.70240234 0 -21.70240234 3.5117481694 0.5138681196 0.1667177476 0.71346519 -0.02237033 -1.72849384 0.10431721 -1.47558057 0.43343856 -6.30288224 -3.67952804 1.55497869 3.53434849 2.82848487 -1.84443995 2.17860035 6.97319356 -14.75200195 6.371E-11 1.424E-10 3.185E-10 7.122E-10 1.593E-9 3.5609999999E-9 7.963E-9 1.781E-8 3.982E-8 8.903E-8 1.991E-7 4.452E-7 9.9539999999E-7 0.000002226 0.000004977 112-88-9 8217 144209937 Fns 1-Octadecene CCCCCCCCCCCCCCCCC=C Tox21_202739 -NCGC00356986-01 196711797 tox21-ror-cho-viability-p1 set2 4 -4.31651734 -4.35831318 -5.63719818 -5.28081134 -1.6523787 -1.41159105 -0.30299288 -5.94692611 -5.02854176 -4.27235811 -2.86063718 0.50200806 -2.01725949 -13.79523566 -11.58466271 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109293-97-2 6125184 251919719 F Diflufenzopyr Fc1cc(cc(F)c1)NC(=O)N\N=C(/C)c2ncccc2C(=O)O Tox21_303700 -NCGC00163919-02 196712204 tox21-ror-cho-viability-p1 set2 4 62.5631710251 -17.131913352 3 -14.131913352 3.2974983358 0.7852072666 0.0108348052 0.05801978 2.013168 2.04701936 1.51485157 1.05743929 5.95876394 2.59609694 5.73344972 4.31666523 5.40804004 4.69855662 4.1198178 0.69500646 -0.08797204 -10.52659446 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00255429-01 196710151 tox21-ror-cho-viability-p1 set2 -3 25.6224097979 -32.827655044 -3 -35.827655044 4.9549173134 0.8721537066 0.0010714784 -1.99358242 0.45022444 -6.73882773 -4.55838926 -4.6950346 -6.41539694 1.71419346 -1.140409 -4.28400606 1.91287943 -4.09905446 -4.97573437 -5.9022288 -5.26397202 -31.52304587 4.719E-10 1.055E-9 2.359E-9 5.276E-9 1.18E-8 2.638E-8 5.899E-8 1.3189999999E-7 2.949E-7 6.595E-7 0.000001475 0.000003297 0.0000073729999999 0.000016489999999 0.00003687 26027-38-3 24773 144212450 F F Nonoxynol CCCCCCCCCc1ccc(OCCOCCO)cc1 Tox21_302133 -NCGC00258875-01 196709728 tox21-ror-cho-viability-p1 set2 4 6.05749444 -0.16442249 1.64096204 -1.64973398 3.11078451 4.34208711 3.07545868 -0.24659057 6.68445863 -0.09095984 3.8970888 3.4527921 8.4643907 5.96022249 4.41766831 1.2169999999E-9 2.722E-9 6.087E-9 1.361E-8 3.0429999999E-8 6.8049999999E-8 1.522E-7 3.403E-7 7.608E-7 0.0000017009999999 0.0000038039999999 0.000008507 0.000019019999999 0.00004253 0.000095109999999 280-57-9 9237 144208521 1,4-Diazabicyclo[2.2.2]octane C1CN2CCN1CC2 Tox21_201323 -NCGC00258857-01 196709744 tox21-ror-cho-viability-p1 set2 -2.1 61.0684034629 -101.1336109003 -1.403435254 -102.5370461543 1.5094870999 0.8449425179 0.0026131389 -0.4897601 0.12350812 1.35477212 -1.84812267 1.14266561 -0.10843754 -2.36377052 -1.13890225 -2.3255545 -2.46441659 1.24581215 -14.48199025 -32.29485122 -16.08006908 -77.67958042 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.00001842 0.0000412 0.00009212 87-56-9 2771871 144208503 A F (2Z)-2,3-Dichloro-4-oxobut-2-enoic acid O=CC(\Cl)=C(\Cl)C(=O)O Tox21_201305 -NCGC00164168-02 196710136 tox21-ror-cho-viability-p1 set2 4 4.33091024 -0.73171039 0.00531545 1.6537371 1.27440759 -0.85931999 2.75777325 2.31134516 -0.715428 -0.23249314 3.31741003 2.77798684 0.31607586 1.40531031 -1.33602423 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00256153-01 196710157 tox21-ror-cho-viability-p1 set2 4 2.75047446 2.51099711 1.07440261 -1.58982116 1.88254163 1.1457038 4.22535598 1.57030198 -1.65469424 -1.80298768 1.4282959 2.76994357 3.48541385 1.3438903 1.72956634 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 929-59-9 70248 144211835 F Fns 2,2'-[Ethane-1,2-diylbis(oxy)]diethanamine NCCOCCOCCN Tox21_301518 -NCGC00255964-01 196710159 tox21-ror-cho-viability-p1 set2 -1.1 2.7306020303 -93.8031332302 1.1033055249 -92.6998277053 2.1210667061 0.9875371863 3E-9 -6.70492165 4.86177333 0.67424753 2.95575929 2.15315145 0.20944243 0.65603241 0.24761723 0.66030616 -29.87467085 -51.33554938 -90.61225459 -93.07211617 -92.74589474 -87.98233859 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1600-27-7 15337 144212317 A Mercury(II) acetate [Hg+2].[O-]C(C)=O.[O-]C(C)=O Tox21_302000 -NCGC00090750-04 196727630 tox21-ror-cho-viability-p1 set3 -2.2 49.1509036116 -46.9691455699 0.656393116 -46.3127524539 3.0654483358 0.9787367084 6.78E-8 2.43192039 0.23921973 -0.84543975 2.71437685 -0.91996982 0.78094177 -1.69737992 1.02018374 -1.61435327 -1.01363776 2.08977891 3.42640789 -1.97851629 -17.52268825 -40.00966095 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00258367-01 196730466 tox21-ror-cho-viability-p1 set3 4 1.01998356 2.1105033 0.45897728 0.91362806 -0.87460075 0.6750206 -1.76321629 -0.76794594 -0.7892424 2.01666235 -0.85626931 0.88766382 -1.40766331 0.36817643 1.69998237 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.000018429999999 0.0000412 0.000092129999999 68915-31-1 24451 144208011 Sodium polyphosphate [Na+].[Na+].[O-]P(=O)(O)OP([O-])(=O)O Tox21_200813 -NCGC00258119-01 196730467 tox21-ror-cho-viability-p1 set3 4 1.75591468 -0.61629087 -0.58894046 -1.77737741 0.75700506 2.41226005 3.08757717 -1.4375262 0.01496772 0.10432261 2.06783267 0.60204656 1.57907867 3.81494939 3.67225956 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041219999999 0.00009218 58543-16-1 60196371 144207763 A A Rebaudioside A O[C@@H]8[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]8OC(=O)[C@]7(C)CCC[C@@]5(C)[C@@H]7CC[C@]16CC(=C)[C@@H](C1)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]4OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H]56 Tox21_200565 -NCGC00256135-01 196728053 tox21-ror-cho-viability-p1 set3 4 0.0016092128 -8.881390652 7 -1.881390652 4.9549173134 0.3493339316 0.3239923871 5.2910396 -1.21100781 -2.47203155 -0.39346055 0.32802968 0.11475087 1.39319991 -1.91721671 -4.96746264 -2.5333096 1.39969383 -8.23449221 -3.17230283 -3.73282643 -0.29819498 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 14667-55-1 26808 144212631 F Fns 2,3,5-Trimethylpyrazine Cc1cnc(C)c(C)n1 Tox21_302314 -NCGC00256691-01 196727635 tox21-ror-cho-viability-p1 set3 4 0.0544826733 6.7135547399 -6.7135547399 0 4.9549173134 0.385317437 0.3028619237 -2.51581574 -10.23264697 0 -3.73300437 -18.09462895 0 0 0 -0.15107035 0 -0.13515837 -2.30842114 2.65470859 0.92716301 -4.82188375 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 141-25-3 81263 144212942 Ac F Rhodinol CC(=C)CCC[C@H](C)CCO Tox21_302625 -NCGC00255551-01 196728043 tox21-ror-cho-viability-p1 set3 4 0.40669712 2.41597509 5.2303789 10.75093766 3.27049571 -1.56779429 3.97149329 1.44594876 3.43933756 0.47457295 3.68829157 2.19528533 1.67463294 3.03550492 1.18947068 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 650-51-1 23681045 144211630 Sodium trichloroacetate [Na+].ClC(Cl)(Cl)C([O-])=O Tox21_301313 -NCGC00256165-01 196728448 tox21-ror-cho-viability-p1 set3 4 4.20814784 0.5679717 4.34873696 2.38024452 6.07522437 6.13171744 3.63730359 2.97540657 5.30717436 1.69948715 3.04196166 4.61979724 -1.19758046 4.0835181 2.89542959 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57116-45-7 92667 144212567 F Fns 3-{[3-(Aziridin-1-yl)propanoyl]oxy}-2-({[3-(aziridin-1-yl)propanoyl]oxy}methyl)-2-(hydroxymethyl)propyl 3-(aziridin-1-yl)propanoate OCC(COC(=O)CCN1CC1)(COC(=O)CCN2CC2)COC(=O)CCN3CC3 Tox21_302250 -NCGC00256199-01 196728447 tox21-ror-cho-viability-p1 set3 4 -2.94862071 9.53116801 -3.14404761 14.35132735 -2.79497468 6.47417569 9.11395485 1.05475669 -0.60184459 2.59497294 3.53914263 4.66319736 4.03037709 1.68277605 3.6293638 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 4532-64-3 548353 144212139 F 2,3-Butanedithiol CC(S)C(C)S Tox21_301822 -NCGC00255206-01 196728451 tox21-ror-cho-viability-p1 set3 4 3.64334518 -5.13243954 -0.79110689 -5.54455541 -0.40970201 -0.81895024 1.10929348 -3.63564048 -3.01155262 -1.95675211 -1.21871902 -3.88045104 -2.58473118 -3.11587932 -1.46396984 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-51-3 7094 144212421 A Fns Dicyclohexyl C1CC(CCC1)C2CCCCC2 Tox21_302104 -NCGC00255141-01 196728463 tox21-ror-cho-viability-p1 set3 4 0 -0.8772424 -6.47659701 3.05088984 3.91373158 5.86375977 6.3169879 7.06059969 5.92476514 0.3290348 8.10920379 -10.10711676 5.33547355 -9.69784475 5.96783343 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-56-9 67123 144212213 A A Triethylene glycol dibenzoate O=C(OCCOCCOCCOC(=O)c1ccccc1)c2ccccc2 Tox21_301896 -NCGC00255513-01 196728464 tox21-ror-cho-viability-p1 set3 4 4.8557733675 -11.5898076679 0 -11.5898076679 2.2526478767 0.9146585986 0.000145928 2.91762813 -0.42432571 -1.63138426 -1.28733305 -2.07193437 -1.19430961 2.04712828 0.30796523 1.87763894 -0.4985837 -4.18848714 -9.49131556 -9.72742991 -11.0734613 -12.99150639 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55814-41-0 41632 144212748 A A Mepronil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C Tox21_302431 -NCGC00256986-01 196719094 tox21-ror-cho-viability-p1 set2 4 2.32647171 1.00807142 -3.29350766 1.96690005 -4.92038649 -0.85825146 -8.77187198 -2.50681429 -3.33292757 -0.9677399 1.07874728 -2.73503703 -3.6597867 2.00289277 -0.26076008 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 770-35-4 92839 144213395 A Ac 1-Phenoxy-2-propanol CC(O)COc1ccccc1 Tox21_303078 -NCGC00254030-01 196719524 tox21-ror-cho-viability-p1 set3 -1.2 2.7306020303 -40.971188011 -6.644803077 -47.615991088 3.6272481694 0.9572048373 0.000003566 -10.53436242 -8.33600969 -6.81813685 -3.97501556 -9.47599631 -11.43900683 -3.8891664 -2.70601437 -2.10929152 -13.71142061 -36.24720824 -51.9066257 -53.24582405 -39.92152352 -46.42384372 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1034-01-1 61253 144210592 A A Octyl gallate Oc1cc(cc(O)c1O)C(=O)OCCCCCCCC Tox21_300272 -NCGC00257477-01 196719087 tox21-ror-cho-viability-p1 set2 4 27.3060203028 -13.9918155239 2.5 -11.4918155239 3.5722481694 0.7815338783 0.0115303484 0.02146825 0.39806417 1.07637079 1.51278107 2.37253805 6.87111265 0.28303111 7.47779326 2.72883103 0.06794419 5.53577607 1.28162615 -0.14846107 -8.78005709 -11.65984627 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 132-32-1 8588 144213853 A A 3-Amino-9-ethylcarbazole Nc2cc3c1ccccc1n(CC)c3cc2 Tox21_303548 -NCGC00091086-02 196719105 tox21-ror-cho-viability-p1 set2 4 3.30348901 -0.32980539 2.54559742 1.2358609 3.35844883 2.88278802 2.39267457 2.20030066 -1.82437823 -0.48229903 -1.35743679 3.07021596 1.92104863 -0.99526782 2.56037655 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00254167-01 196719529 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -73.423825408 4.375896401 -69.047929007 4.9549173134 0.9117043001 0.0001715501 6.88979531 5.11896684 17.12888414 1.47358451 1.83292927 -0.34129562 1.5264245 6.81002526 -0.10955177 2.14974683 -1.99635004 9.24590062 7.32430229 0.10351108 -55.35318784 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-76-4 7311 144210434 A A 2,4-Di-tert-butylphenol CC(C)(C)c1cc(ccc1O)C(C)(C)C Tox21_300114 -NCGC00254193-01 196719943 tox21-ror-cho-viability-p1 set3 4 0.002309988 -17.7355095801 19 1.2644904199 0.6 0.4931758825 0.1845524079 14.25610468 17.73419116 4.46451602 12.57834546 4.81383297 10.09527999 6.66205769 0.13468323 -3.11292465 8.08051055 -2.23583199 -2.91421205 -2.91727301 9.18057193 4.89667309 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 264618-44-2 53316379 144210549 A B SSR146977 CN(C)C(=O)NC4(CCN(CCC[C@]1(CCCN(C1)C(=O)c2ccccc2)c3ccc(Cl)c(Cl)c3)CC4)c5ccccc5 Tox21_300229 -NCGC00163927-04 196719945 tox21-ror-cho-viability-p1 set3 1.4 0.0062563171 13.5418223639 -14.5418223639 -1 4.9549173134 0.7327105977 0.0251774566 -12.31943946 -17.53485197 -7.64124636 -0.51042777 -5.05516373 -4.64534088 -1.61855757 -1.00497975 -1.57799071 -3.78256726 0.02901946 -0.28290497 -0.68860138 -0.16648146 7.45446063 1.203E-9 2.6889999999E-9 6.014E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003759 0.000008404 0.000018789999999 0.00004202 0.000093959999999 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00254858-01 196719947 tox21-ror-cho-viability-p1 set3 1.4 0.0096885416 19.998873304 -20.498873304 -0.5 0.5 0.8474715524 0.002449171 -15.15217163 -17.08239442 -10.17990148 -6.25176838 -10.77693115 -5.22840473 -2.95147189 -2.8944642 -4.519267 -4.9238622 1.02212715 -2.24677842 1.03877829 -2.21035214 -0.04909913 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-17-1 7980 144211273 A A Tetraethyleneglycol dimethacrylate O=C(OCCOCCOCCOCCOC(=O)C(=C)C)C(=C)C Tox21_300956 -NCGC00253928-01 196719963 tox21-ror-cho-viability-p1 set3 1.4 0.8634921799 30.524710484 -18.524710484 12 0.3 0.8377028057 0.0032239516 -14.42055537 -18.77059207 -8.54129424 -7.53541814 -14.44846838 -12.3515138 -2.96632669 -4.90183359 -3.66002471 -0.54994552 -0.87326104 0.29055211 -0.69274667 6.83147486 7.60908331 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15307-79-6 5018304 144210585 A A Diclofenac sodium [Na+].Clc2cccc(Cl)c2Nc1ccccc1CC([O-])=O Tox21_300265 -NCGC00254788-01 196720363 tox21-ror-cho-viability-p1 set3 4 7.36376357 6.17573494 3.63802303 3.17749759 1.83331692 12.05461817 4.29034449 -1.30879204 -0.84297894 6.30344655 8.93027462 -4.41829939 6.32111161 10.81041245 0.91314416 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1134-23-2 14337 144211201 A A Cycloate CCN(C(=O)SCC)C1CCCCC1 Tox21_300884 -NCGC00090708-05 196720370 tox21-ror-cho-viability-p1 set3 -1.2 7.6958821542 -32.0716111888 2.7804683009 -29.2911428879 3.5117481694 0.9453314547 0.0000136835 1.14310154 0.36495739 0.89359821 10.49957591 0.47877852 2.63423105 1.54626924 2.49183816 5.1152208 2.83901126 -0.35834601 -14.68399123 -28.61375101 -33.89105807 -23.65917825 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00255100-01 196720376 tox21-ror-cho-viability-p1 set3 4 5.4482673282 4.87426038 -1.37426038 3.5 4.9549173134 0.3338531232 0.3538410485 0.51158759 -0.27997083 2.00215933 4.08091313 -4.76901654 -1.58806799 -2.13116587 -0.88257474 -5.31188365 -3.02931477 -2.47251858 4.80910527 5.51306858 0.03786681 -2.06714195 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10402-33-2 25238 144211520 C C Eugenyl phenylacetate COc2cc(ccc2OC(=O)Cc1ccccc1)CC=C Tox21_301203 -NCGC00255560-01 196710623 tox21-ror-cho-viability-p1 set2 4 4.92581732 -1.64819203 -0.31439657 3.31599589 -0.38718624 -1.62232334 4.00572656 -1.84120182 -1.80417777 0.2857729 -2.26731106 -0.47019157 4.09393289 3.12133628 3.06174302 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24801-88-5 90613 144212496 D 3-Isocyanatopropyltriethoxysilane CCO[Si](OCC)(OCC)CCC\N=C=O Tox21_302179 -NCGC00256300-01 196710604 tox21-ror-cho-viability-p1 set2 4 0.20445148 -1.0580153 -0.34375746 0.0645045 -2.83184273 -2.39982953 0.90280238 -0.87847371 -0.38106701 -0.02390798 -0.97921462 1.38053298 0.0203393 0.17859198 5.16563515 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88485-37-4 91747 144212109 A A Fluxofenim Clc1ccc(cc1)\C(=N\OCC2OCCO2)C(F)(F)F Tox21_301792 -NCGC00091759-02 196710606 tox21-ror-cho-viability-p1 set2 4 -1.03037872 -2.06060483 -4.60974167 0.07109377 -0.86427992 0.75687875 -4.57088787 -5.68685036 -3.2600572 1.03853556 0.29555878 0.42045687 2.1292765 -1.72676889 -1.45673308 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00256142-01 196710612 tox21-ror-cho-viability-p1 set2 4 1.55208342 -0.5584668 1.9320501 1.88504384 -1.17123784 0.80729082 2.76198304 1.95551115 -0.622724 0.92431393 0.08173426 0.37918131 2.46904559 2.465103 0.97179591 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119313-12-1 86171 144212024 D 2-Benzyl-2-(dimethylamino)-1-[4-(morpholin-4-yl)phenyl]butan-1-one CN(C)C(Cc1ccccc1)(CC)C(=O)c2ccc(cc2)N3CCOCC3 Tox21_301707 -NCGC00255717-01 196710625 tox21-ror-cho-viability-p1 set2 1.4 0.0017228934 21.069380576 -20.069380576 1 4.9549173134 0.8757232125 0.0009439636 -17.14115048 -1.44065071 0.71809224 -0.53422119 0.26366591 1.74917466 1.81294845 0.2687349 -0.40983899 0.14694209 -0.81781044 0.61980136 -0.8550308 1.5793088 6.30166006 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 780-69-8 13075 144212485 D F Triethoxy(phenyl)silane CCO[Si](OCC)(OCC)c1ccccc1 Tox21_302168 -NCGC00091351-03 196711034 tox21-ror-cho-viability-p1 set2 4 1.18644196 1.05399586 -0.92781742 -2.92682839 0.75582291 0.50085417 -0.80820035 0.11513428 -0.60711369 -0.10898894 1.33640987 -6.19929095 -1.32718208 -1.78659 -3.4955519 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00255147-01 196711037 tox21-ror-cho-viability-p1 set2 4 6.1130564862 4.10658368 -4.10658368 0 4.9549173134 0.3247839305 0.3473010117 -5.70887058 -2.48055903 -4.7201195 -1.99882375 -2.29402568 -7.89384954 -9.2554864 -2.38482215 -2.0583891 0.0357367 -7.81018902 1.06341168 -0.05260394 0.23144579 -1.37826146 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2855-19-8 17858 144211977 A 1,2-Epoxydodecane CCCCCCCCCCC1CO1 Tox21_301660 -NCGC00255899-01 196711040 tox21-ror-cho-viability-p1 set2 4 9.03088491 3.02368447 -1.24582681 -1.65855517 3.99161498 -1.38394425 -1.6144639 1.34036277 2.92654255 4.14464835 2.24545434 4.16052802 1.3987332 0.32232795 3.69645687 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-38-6 6636 144211641 A A Fenson Clc2ccc(OS(=O)(=O)c1ccccc1)cc2 Tox21_301324 -NCGC00260111-01 196711437 tox21-ror-cho-viability-p1 set2 4 -7.21241236 -1.61108276 -5.76835442 -7.8917442 -0.07829155 0.10425738 -5.38212489 -14.68049152 -3.55465206 -16.88047515 -3.9700285 -0.37545308 -0.08700441 -7.17009888 -11.20407844 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.9719999999E-8 6.6449999999E-8 1.486E-7 3.3219999999E-7 7.429E-7 0.0000016609999999 0.0000037149999999 0.0000083059999999 0.00001857 0.00004153 0.00009287 2524-03-0 17304 144209760 F Ac O,O-Dimethyl chlorothiophosphate ClP(=S)(OC)OC Tox21_202562 -NCGC00260419-01 196711449 tox21-ror-cho-viability-p1 set2 4 -2.92405453 0.03115241 -3.25635995 -5.280048 -5.15970427 -4.26507036 -7.17188119 -15.18226052 -2.77443914 -12.47828852 -0.016115 3.07104027 0 -7.58915062 -10.95747089 1.188E-9 2.6549999999E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 818-72-4 13166 144210071 A A 1-Octyn-3-ol C#CC(O)CCCCC Tox21_202873 -NCGC00260206-01 196711452 tox21-ror-cho-viability-p1 set2 -1.1 21.734065517 -84.8214577666 0.3363925219 -84.4850652447 4.0949729863 0.9978646505 0 0.10044108 0.46192322 -0.41201202 1.67585491 1.52519446 0.75918321 1.15839258 2.3196424 0.13637195 1.12010536 -0.56580596 -4.27241287 -30.80951163 -78.23033652 -84.31643238 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004128 0.00009231 404001-49-6 60196379 144209856 A A 1-Methyl-3-tetradecylimidazolium bis(trifluoromethylsulfonyl)imide FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C[n+]1ccn(CCCCCCCCCCCCCC)c1 Tox21_202658 -NCGC00357056-01 196711453 tox21-ror-cho-viability-p1 set2 4 -2.18169162 -3.54585117 -5.27049741 -5.59641884 -7.50754432 -31.63732584 -34.41191807 -62.97177494 -32.06174053 -7.18688795 -17.94850487 -16.7974767 0 -68.8252523 -35.86516716 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 75980-60-8 166480 251919940 F Diphenyl(2,4,6-trimethylbenzoyl)phosphine oxide O=P(C(=O)c1c(C)cc(C)cc1C)(c2ccccc2)c3ccccc3 Tox21_303757 -NCGC00090702-02 196711858 tox21-ror-cho-viability-p1 set2 4 -9.1844585 -6.70966686 -6.87778082 -7.3613153 -4.01494035 -10.62632108 0 -3.39609582 -7.40057994 -6.96051296 -0.44054571 0 0 -17.34035358 7.58682772 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00258806-01 196711386 tox21-ror-cho-viability-p1 set2 4 2.95649932 1.742625 -5.51957253 2.89734688 -1.23202994 -5.61528122 1.98957782 1.73803776 1.61962816 0.93031954 -5.05682023 -1.47144924 1.0210059 -1.63054672 1.38039602 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 115-96-8 8295 144208452 A A Tris(2-chloroethyl) phosphate ClCCOP(=O)(OCCCl)OCCCl Tox21_201254 -NCGC00255535-01 196710977 tox21-ror-cho-viability-p1 set2 4 0.001554288 10.156121744 -8.656121744 1.5 4.9549173134 0.7010925756 0.0389358791 -6.79676812 2.16128178 1.08473214 2.93511976 1.30885143 3.08194349 1.64748111 0.41828567 -0.50113564 1.09690959 1.2530667 -0.32383721 0.51502918 1.7107995 4.81332607 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 921-20-0 61234 144212194 F F 3-(Hydroxymethyl)pentane-2,4-diol CC(O)C(CO)C(C)O Tox21_301877 -NCGC00256070-01 196710984 tox21-ror-cho-viability-p1 set2 4 0.1933118196 5.784930528 -7.784930528 -2 0.7999999999 0.476836501 0.2020648546 -3.37654055 -12.32077544 -6.8754932 -7.88833695 -5.65258786 -3.85319017 -7.49808468 -5.69985204 -1.13058118 -1.61316669 -4.72105615 -2.71053925 0.05479042 -3.00344358 -2.92747937 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7560-83-0 24210 144211825 A Fns N-Cyclohexyl-N-methylcyclohexanamine CN(C1CCCCC1)C2CCCCC2 Tox21_301508 -NCGC00255298-01 196710987 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -27.439270068 2 -25.439270068 4.9549173134 0.9149182037 0.0001435403 1.8449299 3.2289237 3.716897 -1.09078386 0.03356707 0.48919432 2.60191027 2.60661744 1.23016573 -0.32304924 3.99488441 3.55420781 2.3973517 1.09145093 -17.86605839 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2491-38-5 4964 144212258 F D 2-Bromo-4-hydroxyacetophenone O=C(CBr)c1ccc(O)cc1 Tox21_301941 -NCGC00260417-01 196711801 tox21-ror-cho-viability-p1 set2 2.4 48.5577336745 27.665012636 2.334987364 30 0.8999999999 0.8234353288 0.0046874711 4.49429679 3.79914533 -0.46867247 0.57111201 1.14563949 -1.38751053 1.12581257 8.59436157 5.26670161 4.97176968 4.54197121 6.50027152 7.09432628 14.98657786 23.57452957 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.0000036889999999 0.000008248 0.00001844 0.00004124 0.00009222 7787-56-6 62672 144210069 Beryllium sulfate tetrahydrate O.O.O.O.[Be+2].[O-]S([O-])(=O)=O Tox21_202871 -NCGC00091426-02 196711804 tox21-ror-cho-viability-p1 set2 -2.4 13.6854287769 -26.9011461519 0 -26.9011461519 1.6266150999 0.9030736945 0.0002759137 1.72836317 0.00688863 -1.3665426 0.77562635 -0.04342653 -0.29986624 0.06874081 -0.18663581 -0.47603508 1.74982511 -8.69349926 -1.97243588 -19.54589659 -25.33428846 -21.54853117 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00357153-01 196711815 tox21-ror-cho-viability-p1 set2 4 9.6885416101 16 0.5 16.5 0.2 0.6049316308 0.1094580453 2.30897715 3.09794146 1.27351808 4.54566085 4.44557872 6.62698881 6.43250232 8.29911199 6.70588921 5.91927841 5.20884995 5.04457883 8.99901035 12.76383291 2.71059281 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 643-28-7 12561 251919934 A 2-Isopropylaniline CC(C)c1ccccc1N Tox21_303899 -NCGC00257938-01 196711818 tox21-ror-cho-viability-p1 set2 -2.2 77.115374479 -51.7026313227 -4.349203316 -56.0518346387 0.5 0.6813961673 0.0468253176 -5.81242882 -4.93232113 -5.83418201 -4.03605335 1.02852207 -7.06606147 -1.08602141 -12.61200185 -17.03415448 -11.31349841 -19.9536586 -14.20363368 -7.69624886 -23.29977438 -42.46351109 1.182E-9 2.6429999999E-9 5.9109999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.304E-7 7.3889999999E-7 0.0000016519999999 0.0000036939999999 0.000008261 0.000018469999999 0.000041299999999 0.000092359999999 97-18-7 2406 144207582 A A Bithionol Oc2c(Sc1cc(Cl)cc(Cl)c1O)cc(Cl)cc2Cl Tox21_200384 -NCGC00091775-03 196711825 tox21-ror-cho-viability-p1 set2 -2.4 21.6899429044 -28.573208356 6 -22.573208356 1.24751 0.8463467206 0.0025160484 4.22222926 2.69504333 3.27802715 6.01496238 3.53872824 3.60966721 9.95285457 9.42965679 12.04894446 9.04845845 -0.7490182 0.40952566 -10.23505667 -9.73000479 -20.47767363 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00260633-01 196711826 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -14.784901844 0.5 -14.284901844 4.9549173134 0.8736660795 0.0010359076 -0.37130143 1.75046058 2.79350016 0.97075923 1.72521266 -0.94008479 1.13469316 -0.34805053 0.69610887 -1.49587598 0.04187987 -0.03470434 2.49408302 -0.38867813 -11.90408487 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49529 144210286 M M NTP Mix109 ER1 10-EQC Tox21_203088 -NCGC00091086-02 196709762 tox21-ror-cho-viability-p1 set2 4 -0.0097294 -4.5967659 -0.3232815 -0.50636772 -2.69914704 -0.85998328 -0.54431971 -7.25753478 -0.83745159 -5.91160899 -1.62499017 -0.6096549 -0.35362621 -3.32159899 -0.03530793 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00259447-01 196709349 tox21-ror-cho-viability-p1 set2 4 -8.77034631 -12.71219889 1.29265701 -1.55030084 1.24233874 -4.23368481 -1.13838272 -4.9149553 -2.7854533 1.31105373 -6.68663915 -1.2608767 2.47074671 -6.54089895 -6.42244931 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.000018359999999 0.000041049999999 0.000091779999999 2044-64-6 16278 144209096 A B N,N-Dimethylacetoacetamide CC(=O)CC(=O)N(C)C Tox21_201898 -NCGC00258516-01 196730123 tox21-ror-cho-viability-p1 set3 4 0.1933118196 15.1892561879 -17.6892561879 -2.5 4.9549173134 0.4933801788 0.1839323721 -4.832318 -23.98912597 -19.72462014 -27.31911587 -0.88604658 -27.65771349 -15.72243934 -2.08791635 0 -0.94513829 0 0 -8.79906517 -1.46211222 -8.88536781 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.00001844 0.000041219999999 0.00009218 853-23-6 14709 144208161 A F Dehydroepiandrosterone acetate CC(=O)O[C@H]4CC[C@@]2(C)C(=CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12)C4 Tox21_200963 -NCGC00258205-01 196729287 tox21-ror-cho-viability-p1 set3 4 0.30234097 0.65983542 -11.59148698 0.90270482 0 -0.10027378 -1.08843137 -2.36658378 -24.4356492 -20.72843626 -5.84226299 0 8.96169772 1.83771901 -3.72089058 1.1469999999E-9 2.564E-9 5.733E-9 1.282E-8 2.867E-8 6.41E-8 1.433E-7 3.205E-7 7.1659999999E-7 0.000001602 0.000003583 0.000008012 0.00001792 0.00004006 0.000089579999999 101-14-4 7543 144207849 A A 4,4'-Methylenebis(2-chloroaniline) Nc2ccc(Cc1ccc(N)c(Cl)c1)cc2Cl Tox21_200651 -NCGC00258530-01 196729703 tox21-ror-cho-viability-p1 set3 4 7.5864440736 -20.020312872 1.5 -18.520312872 0.6 0.800862724 0.0078395124 -1.93307382 6.02381389 -0.83917542 1.27610831 0.48513084 0.14304157 -0.70366839 0.37149042 -1.55811509 -2.40403204 -13.36109197 -5.07661356 -11.7756692 -11.02026649 -16.68359406 1.166E-9 2.6069999999E-9 5.8279999999E-9 1.303E-8 2.9139999999E-8 6.516E-8 1.457E-7 3.2579999999E-7 7.286E-7 0.000001629 0.0000036429999999 0.0000081449999999 0.00001821 0.00004073 0.00009107 2524-04-1 17305 144208175 AC A O,O-Diethyl chlorothiophosphate ClP(=S)(OCC)OCC Tox21_200977 -NCGC00095042-06 196729709 tox21-ror-cho-viability-p1 set3 4 0.76672993 -2.79938433 -3.29165614 -0.37666793 -1.71517893 -1.43366596 1.31628003 -11.92990665 -9.72916431 2.46692299 1.5359819 1.03074129 2.71812554 -1.95596247 1.09719777 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00090776-02 196730125 tox21-ror-cho-viability-p1 set3 4 2.76605647 -1.31360384 4.24834793 0.22216883 -1.3173897 3.20814348 0.1829411 2.52212584 -2.13996351 -1.18408198 -0.55295712 1.37768049 0.07236123 -3.51948147 -3.91597664 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00258675-01 196730126 tox21-ror-cho-viability-p1 set3 4 -1.75135594 -4.30184329 -2.50835244 -4.47155793 -4.4510704 1.01624216 -6.14829647 -0.88824346 -5.00881576 -0.66228962 2.69826175 -2.86345075 2.22379918 -0.13106179 0.53948421 1.163E-9 2.5999999999E-9 5.8139999999E-9 1.2999999999E-8 2.9069999999E-8 6.5E-8 1.453E-7 3.25E-7 7.267E-7 0.000001625 0.000003634 0.000008125 0.00001817 0.000040619999999 0.00009084 41122-70-7 38764 144208321 A A 4-Hexyl-4'-cyanobiphenyl N#Cc1ccc(cc1)c2ccc(CCCCCC)cc2 Tox21_201123 -NCGC00258590-01 196730528 tox21-ror-cho-viability-p1 set3 4 0.0017053873 9.03356624 -7.03356624 2 2.3531167061 0.4605726294 0.2188810651 -4.6113052 0.1897933 -0.20922735 3.56491177 4.00257397 2.36859045 1.4705024 2.06383557 1.27629551 7.57720251 1.10385682 1.35655669 1.54965115 0.37022482 -0.41384132 1.1699999999E-9 2.617E-9 5.852E-9 1.3079999999E-8 2.926E-8 6.542E-8 1.463E-7 3.271E-7 7.315E-7 0.0000016359999999 0.000003657 0.000008178 0.00001829 0.000040889999999 0.00009143 142-96-1 8909 144208235 FNS Butyl ether CCCCOCCCC Tox21_201037 -NCGC00258422-01 196730532 tox21-ror-cho-viability-p1 set3 4 54.2611240406 11.3707129399 -1.8707129399 9.5 2.3531167061 0.5690742448 0.1219142164 -0.87433037 -6.21939087 1.01278087 -3.48602439 0.26695411 -1.46884443 -2.9484186 0.33248822 -6.55892745 -2.77101212 -1.13738857 -1.4256391 -0.42335207 1.49059437 7.1265045 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.315E-8 2.9389999999E-8 6.573E-8 1.4699999999E-7 3.2859999999E-7 7.3489999999E-7 0.000001643 0.000003674 0.0000082159999999 0.00001837 0.00004108 0.000091859999999 546-80-5 261491 144208066 A A alpha-Thujone C[C@H]1C(=O)C[C@@]2(C[C@H]12)C(C)C Tox21_200868 -NCGC00258287-01 196730541 tox21-ror-cho-viability-p1 set3 4 -1.2248754 -0.57865551 1.38928746 1.43514254 2.12880661 0.01989366 -1.9086917 1.57323462 3.98083323 3.25264258 1.90690012 3.15981789 4.27947678 1.3109161 0.94788118 1.2249999999E-9 2.739E-9 6.125E-9 1.37E-8 3.063E-8 6.848E-8 1.531E-7 3.4239999999E-7 7.657E-7 0.0000017119999999 0.000003828 0.000008561 0.00001914 0.0000428 0.000095709999999 685-91-6 12703 144207931 A A Diethylacetamide CCN(CC)C(C)=O Tox21_200733 -NCGC00257247-01 196726456 tox21-ror-cho-viability-p1 set3 4 1.0468697964 -7.369485 1 -6.369485 4.9549173134 0.6521755743 0.0633236075 2.29650378 0.11284622 1.80771475 3.67630856 0.85624737 -1.66369451 3.88974247 -3.81845479 2.24210594 -1.6955766 -11.1412375 -6.65954291 -5.77639616 -2.442871 -5.52345379 7.078E-10 1.583E-9 3.539E-9 7.9139999999E-9 1.77E-8 3.9569999999E-8 8.848E-8 1.9779999999E-7 4.424E-7 9.892E-7 0.000002212 0.000004946 0.00001106 0.00002473 0.000055299999999 1434-54-4 15032 144213832 A A Pregnenolone carbonitrile CC(=O)[C@H]4[C@H](C#N)C[C@@H]3[C@]4(C)CC[C@H]2[C@H]3CC=C1C[C@@H](O)CC[C@@]12C Tox21_303525 -NCGC00183276-01 196725627 tox21-ror-cho-viability-p1 set3 4 0.0259184918 5.181850748 0.318149252 5.5 1.372261 0.378069404 0.2947979565 1.94668293 -0.18517712 -1.40154229 0.77903564 0.37485277 2.43744118 4.88252656 2.62204138 2.34588845 11.04000582 11.55845699 1.7524255 0.57099539 4.77178368 6.98734359 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 72590-77-3 636398 144206491 F F Hydrocortisone buteprate CCC(=O)OCC(=O)[C@@]4(OC(=O)CCC)CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_112938 -NCGC00259010-01 196721992 tox21-ror-cho-viability-p1 set3 -2.1 17.2639818955 -94.8894974515 -4.866433965 -99.7559314165 1.6266150999 0.9797687062 5.07E-8 -6.12169564 -6.23626891 -2.09749383 1.43633632 -5.93396161 -7.91022288 -6.72477073 -6.35719328 -7.39846079 -5.75008501 -7.59145451 -25.60666385 -64.28405265 -72.68063714 -97.22800333 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.303E-7 7.387E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 26530-20-1 33528 144208657 A A Octhilinone O=C1C=CSN1CCCCCCCC Tox21_201459 -NCGC00258795-01 196721589 tox21-ror-cho-viability-p1 set3 -2.1 48.854168593 -83.74454453 -4.48431793 -88.22886246 2.4063783767 0.9792688542 5.84E-8 -4.45218984 -3.76486079 -2.52588028 -4.10135256 -5.25309966 -3.08357004 -8.67247739 -8.78265795 -6.7403275 -2.4837558 -3.29710483 -4.0399743 -5.36464457 -41.06658573 -72.5218655 1.1859999999E-9 2.6519999999E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001853 0.000041439999999 0.000092669999999 10540-29-1 2733526 144208441 A A Tamoxifen CN(C)CCOc1ccc(cc1)/C(c2ccccc2)=C(/CC)c3ccccc3 Tox21_201243 -NCGC00258958-01 196721592 tox21-ror-cho-viability-p1 set3 4 -9.2933834 -3.91321064 -3.83582756 2.06333882 -0.80078926 -8.53718045 -0.4286829 -8.1148242 -0.78827245 -5.2302371 -6.51692839 -7.75959577 -1.11268051 2.08539279 -1.58856023 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.0000036889999999 0.000008248 0.00001844 0.00004124 0.00009222 86-57-7 6849 144208605 A A 1-Nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 Tox21_201407 -NCGC00091205-03 196721991 tox21-ror-cho-viability-p1 set3 4 -5.89177419 -4.74532749 -3.00132362 -0.57969222 -2.89727204 -5.86000224 -4.30647953 -4.5543535 -6.26727286 -1.85629773 -4.45235565 -3.65628233 -4.07918366 -5.12020114 -1.18493119 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00259286-01 196721998 tox21-ror-cho-viability-p1 set3 4 -5.74074723 -2.72528634 -2.34454273 9.21596979 -1.22540693 -2.37934962 -6.43284442 -3.78904007 -5.3866194 1.80056104 -4.52024416 -2.81395577 -4.87711048 5.91523627 3.87081798 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-02-8 6998 144208935 A A Salicylaldehyde O=Cc1ccccc1O Tox21_201737 -NCGC00091278-03 196721999 tox21-ror-cho-viability-p1 set3 4 1.2197151236 7.9317844639 -2.9317844639 5 0.7 0.5700658936 0.1360968927 -1.94396872 -3.37933455 -4.94315372 -1.55661965 -1.40856578 -0.15161622 -3.50210592 0.60724475 0.63618921 -1.19300979 2.05510199 8.81378289 -0.17556059 5.1633312 -0.11261608 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00178086-03 196722383 tox21-ror-cho-viability-p1 set3 4 33.4914596268 15.595944312 -2.595944312 13 4.9549173134 0.7833725679 0.0112438255 -4.061823 -2.24769793 1.54186703 -2.12139327 -0.6024899 -3.73353807 -2.559155 -3.02722965 -0.27859028 -4.37159454 -2.30733758 -3.61292838 -5.49662026 -1.26633603 10.41773796 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5451-09-2 123608 170464700 Z Aminolevulinic acid hydrochloride Cl.NCC(=O)CCC(=O)O Tox21_111426_1 -NCGC00254543-01 196719985 tox21-ror-cho-viability-p1 set3 4 7.6958821542 -12.69542728 11.5 -1.19542728 4.9549173134 0.5210293418 0.1764037922 8.43219715 10.98053724 6.69009472 14.12789262 7.58124535 9.58480516 11.5013946 17.38896872 14.88079222 3.77227765 20.76039904 3.93070997 0.4089963 -2.2461894 9.20811901 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6055-19-2 22420 144210847 A Ac Cyclophosphamide monohydrate O.O=P1(NCCCO1)N(CCCl)CCCl Tox21_300529 -NCGC00090885-03 196719567 tox21-ror-cho-viability-p1 set3 4 0.0086349218 9.5 4.5 14 1.6266150999 0.4196630316 0.2705278718 6.79604696 3.09324186 9.42966146 10.25844938 14.92679183 9.16890031 13.5742502 19.13730167 11.25510775 17.40246789 13.08658733 22.47881616 8.570738 10.50015053 1.99862026 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00254984-01 196719574 tox21-ror-cho-viability-p1 set3 4 5.85761305 -0.0492487 -1.16897747 -1.0948993 16.07517157 0.11579685 7.78800058 -0.21231537 9.87377108 -1.29827749 -0.19747848 -0.79524819 -1.36616018 1.45816082 4.88126087 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24157-81-1 32241 144211400 A Fc 2,6-Diisopropylnaphthalene CC(C)c1ccc2cc(ccc2c1)C(C)C Tox21_301083 -NCGC00254079-01 196719973 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -16.529177676 1 -15.529177676 4.9549173134 0.8839158164 0.0006870539 1.38788297 2.33265723 -1.46054288 2.85210428 -0.03835844 0.79789985 -1.05623925 1.35054942 2.91663825 1.51747479 1.73973425 0.89005586 0.78026319 0.85378555 -12.52431473 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 83-32-9 6734 144210333 A A Acenaphthene c1cc2cccc3CCc(c1)c23 Tox21_300013 -NCGC00254828-01 196720384 tox21-ror-cho-viability-p1 set3 4 5.23327911 0.35867091 10.57060025 8.73806379 10.32619505 11.1192568 7.5173874 11.15018866 12.55144443 22.15516742 16.77898522 19.03717436 0.47481092 0.35170193 3.02021009 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-95-0 7358 144211243 A Ac 2-Ethyl-1-butanol CCC(CC)CO Tox21_300926 -NCGC00254224-01 196720396 tox21-ror-cho-viability-p1 set3 4 9.38451054 2.01703467 12.41458798 12.25845888 5.65893106 6.31731744 11.56322184 6.6424487 0.37985268 20.06497315 27.00120421 6.95386687 17.46229716 10.8409433 3.21113648 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84-75-3 6786 144210485 A A Dihexyl phthalate O=C(OCCCCCC)c1ccccc1C(=O)OCCCCCC Tox21_300165 -NCGC00160421-03 196712687 tox21-ror-cho-viability-p1 set2 4 -1.93715973 -0.68505011 -3.19374138 -1.79300472 0 0.00966694 -2.51379721 -4.28803691 -1.01140072 -1.56207929 -1.80716354 -1.44451894 -2.65115603 -1.82963894 -3.88018017 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-46-8 6018 170464675 A Tetrabenazine CC(C)CC2CN3CCc1cc(OC)c(OC)cc1C3CC2=O Tox21_111803_1 -NCGC00357187-01 196712276 tox21-ror-cho-viability-p1 set2 2.4 54.4826732819 24.759197628 3.240802372 28 0.7999999999 0.7919861096 0.0094241027 0.88875928 5.33895075 -0.63266469 4.9498444 2.04368061 3.10363191 3.62899768 7.41812632 5.83502589 6.27317924 7.08092483 5.47395423 6.15311937 14.48285741 21.37457139 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-10-1 7041 251919969 A 2,6-Dimethoxyphenol COc1cccc(OC)c1O Tox21_303953 -NCGC00016809-07 196712705 tox21-ror-cho-viability-p1 set2 4 3.80885555 1.13153646 0.54190229 -2.85852222 2.28647481 -0.00632992 4.2474827 1.36770995 13.5753278 0.86125677 0.56658188 0.6399123 2.78491028 1.93193442 -0.21012992 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 29560-58-5 34632 170465141 A Moricizine hydrochloride Cl.O=C(OCC)Nc1cc2N(c3ccccc3Sc2cc1)C(=O)CCN4CCOCC4 Tox21_110622_1 -NCGC00160540-03 196712709 tox21-ror-cho-viability-p1 set2 4 4.68277136 3.31353427 -3.80935515 3.55770846 0.0249714 3.30978709 -0.13138122 0.90208412 0.76132451 0.64121475 2.20558524 0.25451171 0.48671486 1.79689664 5.73883289 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1824-58-4 15763 170465925 A Ethiazide NS(=O)(=O)c2cc1c(NC(NS1(=O)=O)CC)cc2Cl Tox21_111883_1 -NCGC00159430-04 196713106 tox21-ror-cho-viability-p1 set2 4 -1.15082342 -0.16994948 0.40532189 -1.10553713 -6.05201382 -0.87753805 -0.4904109 0.41681233 -0.44659955 1.63110651 -0.27414485 0.72235746 -0.57142395 2.3582349 3.54788695 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56-29-1 3608 170465860 A Hexobarbital CC1(C(=O)N=C(O)N(C)C1=O)C2=CCCCC2 Tox21_111661_1 -NCGC00344539-01 196713113 tox21-ror-cho-viability-p1 set2 4 1.58751774 -0.39187049 -1.87805216 -2.58968114 -1.39788366 -3.13179987 -2.81332711 2.23924027 -4.90467196 0.85444063 -0.98291018 -6.6171478 -0.99891638 -4.98612613 2.09409006 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87151-85-7 55652 170466255 A Spiradoline Clc1ccc(cc1Cl)CC(=O)N(C)[C@H]2CC[C@]4(C[C@@H]2N3CCCC3)CCCO4 Tox21_113060_1 -NCGC00091643-08 196713124 tox21-ror-cho-viability-p1 set2 -2.2 61.130564862 -55.4287509707 -1.3758046129 -56.8045555836 2.5334283767 0.9686388178 6.255E-7 -4.30472924 -1.05252427 -0.1372851 -5.10100955 -0.06607793 0.7242919 -3.96901792 0.69392308 -0.35074925 0.36887566 -0.02359654 -0.13770592 -6.38637504 -16.0812922 -43.03375423 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00182550-02 196713126 tox21-ror-cho-viability-p1 set2 4 3.94520961 0.77687773 2.5987616 -0.36510177 3.0995359 2.27610948 0.77106478 1.91606998 0.78342451 0.7457262 0.05709093 -0.32529282 2.42494149 3.59849876 4.83327347 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 616202-92-7 11658860 170466882 A Lorcaserin Clc2cc1c(CCNC[C@@H]1C)cc2 Tox21_113018_1 -NCGC00274066-01 196712721 tox21-ror-cho-viability-p1 set2 4 -0.01021237 -0.44420123 -4.40999325 0.09788919 -3.07588069 2.52415971 -3.3828026 -3.84399987 0.369812 -0.71655365 0.0535322 -3.56145379 0.85722577 -3.07027039 -3.03937336 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 518048-05-0 54671008 170466888 A Raltegravir Cc1nnc(o1)C(=O)NC(C)(C)C3=NC(C(=O)NCc2ccc(F)cc2)=C(O)C(=O)N3C Tox21_113019_1 -NCGC00090874-04 196712313 tox21-ror-cho-viability-p1 set2 -2.4 2.4633805411 -23.308830208 1.5 -21.808830208 4.9549173134 0.9321601845 0.0000435904 1.71681061 -0.87580825 1.20337234 3.64226898 -0.63630063 2.21647401 2.47411177 0.24029585 -0.10078745 0.80692158 -20.8688383 -27.34069184 -17.39452893 -16.06533067 -24.72017091 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00016382-07 196712712 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -17.175175652 2 -15.175175652 4.9549173134 0.7743942787 0.0131801285 1.47173341 5.1001318 0.48313188 4.7875747 2.62915103 0.78023465 4.25670887 0.26806395 0.90443638 2.02156215 -0.55229626 5.23683534 -1.02767876 1.6038201 -12.64597971 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 126-27-2 4621 170465643 A Oxethazaine CC(C)(Cc1ccccc1)N(C)C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc2ccccc2 Tox21_110407_1 -NCGC00274277-01 196712718 tox21-ror-cho-viability-p1 set2 4 -1.49054113 -5.53458081 -4.29462446 -0.77234119 -4.84295636 -5.86007815 -2.37172475 -1.09190321 0.01376469 -1.68832272 2.64306319 0.04366277 0.22450595 -3.44769086 -3.22256888 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35941-65-2 21772 170466439 A F Butriptyline CN(C)CC(C)CC2c3ccccc3CCc1ccccc12 Tox21_113980 -NCGC00183010-01 196712722 tox21-ror-cho-viability-p1 set2 4 -0.38811618 -4.51501624 0.10300835 0.19674363 -5.04550287 0.71171592 0.63340234 -0.53921954 -0.07122616 -0.67740298 0.00055739 2.2241926 -0.29865502 0.56762426 2.17778763 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69956-77-0 5282203 144206823 A A Pelubiprofen O=C(O)C(C)c1ccc(cc1)\C=C2/CCCCC2=O Tox21_113272 -NCGC00016338-10 196712652 tox21-ror-cho-viability-p1 set2 4 -4.89944331 -3.58912294 -3.81582763 -2.88365164 1.68020674 0.478718 1.90887427 1.07990558 -3.95874653 1.24051478 -4.2474828 -0.95528529 -8.17168558 -3.63134085 -3.6851658 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 85-79-0 3025 170464829 A Dibucaine CCN(CC)CCNC(=O)c1cc(OCCCC)nc2ccccc12 Tox21_110381_1 -NCGC00178714-04 196712641 tox21-ror-cho-viability-p1 set2 4 1.84925037 1.78299481 1.48545517 0.21558779 0.36800441 1.5650693 3.22514667 0.32119273 1.22432321 1.49758767 0.23843433 -0.00517908 0.85378582 3.03765084 0.55773911 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97240-79-4 5284627 170464746 A Topiramate NS(=O)(=O)OC[C@]23OC[C@H]1OC(C)(C)O[C@H]1[C@@H]3OC(C)(C)O2 Tox21_111472_1 -NCGC00166415-03 196712643 tox21-ror-cho-viability-p1 set2 4 -1.75848059 -3.60575127 -4.27800827 -2.4971046 -3.85780922 -4.23760383 -0.09355213 -1.5929571 -3.74414945 -1.40436507 2.05275011 2.58142136 0.98345898 0.94570024 3.97171855 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 135729-62-3 6918303 170465300 A Palonosetron hydrochloride Cl.O=C1N(C[C@H]3CCCc2cccc1c23)[C@@H]5CN4CCC5CC4 Tox21_112421_1 -NCGC00016561-05 196712644 tox21-ror-cho-viability-p1 set2 4 -2.13597442 3.99027676 4.20838281 3.12318745 0.20587931 3.06853533 4.61158062 4.91743587 3.99931551 1.58098175 1.63702666 -1.05823401 -1.84457323 -0.23936708 1.29354192 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1084-65-7 4165 170465801 A Meticrane NS(=O)(=O)c2cc1c(CCCS1(=O)=O)cc2C Tox21_110495_1 -NCGC00255314-01 196711015 tox21-ror-cho-viability-p1 set2 4 4.08762901 -0.94051174 0.44694638 1.88059575 1.22190926 0.70378224 1.08025252 0.93962427 0.48566346 0.01552111 1.23122919 0.34833182 -0.35307662 1.81725083 5.51225579 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1452-15-9 15069 144211557 4-Thiazolecarbonitrile N#Cc1cscn1 Tox21_301240 -NCGC00255110-01 196711001 tox21-ror-cho-viability-p1 set2 4 0.0015355304 14.2085285639 -16.2085285639 -2 0.5 0.4535742869 0.2230053386 -11.84044047 -2.62717828 -10.13322572 -7.2953852 -4.20535579 -3.56829062 -0.50495801 -3.2051229 -1.56209173 -3.48925545 -7.48509681 -2.86063394 -3.05379341 -0.62802562 0.70851788 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 464-45-9 1201518 144212602 A A [(1S)-endo]-(-)-Borneol C[C@@]12CC[C@@H](C[C@H]1O)C2(C)C Tox21_302285 -NCGC00256242-01 196711005 tox21-ror-cho-viability-p1 set2 4 4.65982416 -1.70737743 0.7633499 0.73005288 1.23969222 1.99199834 0.72830727 1.08022439 -2.95162128 -2.44978403 0.9700452 1.59535797 2.69893053 0.29467875 1.79769751 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 35543-24-9 6420013 144211752 A A Buflomedil hydrochloride Cl.COc2cc(OC)cc(OC)c2C(=O)CCCN1CCCC1 Tox21_301435 -NCGC00256267-01 196711010 tox21-ror-cho-viability-p1 set2 4 2.71197325 2.25282787 1.69204071 2.60150098 0.58190575 2.84271748 1.2112481 0.21603947 -0.17211412 -0.53481892 -0.19201253 0.75818634 0.06730026 0.41013692 6.65124651 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2050-43-3 16303 144211963 A A N-(2,4-Dimethylphenyl)acetamide O=C(C)Nc1ccc(C)cc1C Tox21_301646 -NCGC00357148-01 196711413 tox21-ror-cho-viability-p1 set2 -1.1 7.6958821542 -62.8927590399 -0.3139994369 -63.2067584768 1.92824246 0.9404814948 0.0000216253 -1.38067705 4.41861641 4.17604198 -20.4484557 -0.11647216 2.72107471 4.52262541 1.80638294 1.23374115 -0.62362118 -14.81877667 -34.04404759 -53.07833138 -63.61736896 -59.49528889 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6358-53-8 9570225 251919677 A C.I. Solvent Red 80 COc3ccc(cc3/N=N/c1c2ccccc2ccc1O)OC Tox21_303891 -NCGC00260143-01 196711411 tox21-ror-cho-viability-p1 set2 4 61.130564862 13.3067157601 0.6932842399 14 0.4 0.4373699999 0.2566330797 2.68591284 1.36637948 -1.0889298 -0.4281598 0.14067475 1.5615705 1.01122854 4.67360205 2.86863985 4.9742627 6.42270939 1.28171048 1.80012404 10.33147979 -0.87708364 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041229999999 0.00009218 7631-99-4 24268 144209793 Sodium nitrate [Na+].[O-][N+]([O-])=O Tox21_202595 -NCGC00260390-01 196711412 tox21-ror-cho-viability-p1 set2 -2.2 0.868763621 -54.5262598475 -1.762138263 -56.2883981105 2.7202212143 0.9178249726 0.0036395338 -0.32495348 2.4366786 -1.61620557 -2.40594746 -0.00911695 -9.51541743 0 -10.21255603 -15.52409549 -55.18470403 -27.71676031 -2.13849125 -13.22989417 -14.55730208 -19.77414364 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.000041429999999 0.000092629999999 54029-45-7 104677 144210042 A A 2-Nitro-4-thiocyanoaniline N#CSc1cc(c(N)cc1)[N+]([O-])=O Tox21_202844 -NCGC00357233-01 196711416 tox21-ror-cho-viability-p1 set2 2.4 30.6378586933 21.62717784 1.37282216 23 0.5 0.8466766271 0.0025155625 1.85739971 3.87092884 0.73028936 -0.5226482 1.57090401 2.69332721 2.79816145 7.19332007 5.8517318 5.69768393 5.43588483 6.63722648 8.09064211 13.38089436 17.83411562 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 20662-14-0 71311389 251919884 Scandium chloride hexahydrate O.O.O.O.O.O.Cl[Sc](Cl)Cl Tox21_304021 -NCGC00260316-01 196711841 tox21-ror-cho-viability-p1 set2 4 -4.80488398 -5.23007302 -9.70394501 -6.17047969 -2.54312887 -11.06300872 -8.1186298 -1.44385083 -1.52271381 -1.22390311 -9.30668447 -6.89393499 -7.45895238 -0.9516978 -22.87768059 3.145E-10 7.031E-10 1.572E-9 3.516E-9 7.861E-9 1.758E-8 3.9309999999E-8 8.7889999999E-8 1.965E-7 4.395E-7 9.827E-7 0.000002197 0.000004913 0.00001099 0.00002457 840-65-3 61225 144209967 A A Dimethyl 2,6-naphthalenedicarboxylate O=C(OC)c1ccc2cc(ccc2c1)C(=O)OC Tox21_202769 -NCGC00256945-01 196727703 tox21-ror-cho-viability-p1 set3 4 -4.14157794 -3.30109051 1.81147731 0.41740621 -0.37248956 -3.39121267 1.02604936 1.2942087 1.26619004 -4.80326977 -4.93891523 -4.95739644 1.16789159 -3.08454831 5.06177013 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 625-55-8 12257 144213599 Fns Isopropyl formate CC(C)OC=O Tox21_303282 -NCGC00257101-01 196727283 tox21-ror-cho-viability-p1 set3 4 0.68938794 2.03579711 1.62129879 0.0804529 0.72959965 -1.57900209 1.32914634 0.03983369 0.93554591 2.02655121 1.89736786 3.2530537 0.03053073 1.02818073 0.96814375 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3709-43-1 19458 144213386 A Disodium 4,4'-dinitro-2,2'-stilbenedisulfonate [Na+].[Na+].O=S([O-])(=O)c2cc(ccc2C=Cc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)[N+]([O-])=O Tox21_303069 -NCGC00257283-01 196727285 tox21-ror-cho-viability-p1 set3 4 -0.34393279 2.04337213 1.31580159 -1.65959862 2.63429031 -4.56063133 1.24523343 -4.35882998 2.41481486 0 0 -3.82035587 -3.41094116 -1.31128499 -3.19281728 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 797-63-7 13109 144213960 A A Norgestrel O=C4CC[C@H]3C(CC[C@@H]2[C@@H]3CC[C@@]1(CC)[C@H]2CC[C@@]1(O)C#C)=C4 Tox21_303658 -NCGC00256584-01 196727288 tox21-ror-cho-viability-p1 set3 4 17.2289340586 -15.802194472 0.5 -15.302194472 1.9673362061 0.9791618466 6.1E-8 0.80925816 2.4840014 0.83073863 1.32701887 0.95265234 0 0.21006162 0.56729266 -0.25805549 -0.22152389 -0.37515076 -1.36814741 -8.56016043 -12.33417954 -14.83516206 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-16-5 7327 144213127 A A 2,4-Dichlorophenyl benzenesulfonate Clc2cc(Cl)ccc2OS(=O)(=O)c1ccccc1 Tox21_302810 -NCGC00257422-01 196727707 tox21-ror-cho-viability-p1 set3 4 3.23503719 -0.87673002 0.7802865 0.2258363 -1.3456758 2.13827135 0.45722636 -1.09180494 -0.8641212 2.00183736 0.3816299 0.64586231 0.11829068 2.15411774 -0.20623213 2.0059999999E-10 4.485E-10 1.003E-9 2.242E-9 5.014E-9 1.1209999999E-8 2.507E-8 5.6059999999E-8 1.253E-7 2.803E-7 6.267E-7 0.000001401 0.0000031339999999 0.0000070069999999 0.00001567 75-62-7 6383 144213840 Bromotrichloromethane BrC(Cl)(Cl)Cl Tox21_303534 -NCGC00256539-01 196727708 tox21-ror-cho-viability-p1 set3 4 -14.72975088 -0.50652432 0 -9.17513276 0 -0.97810068 -11.95373386 0 0 -14.38840829 -14.25070284 -11.20353626 -6.22373793 -0.73247054 -10.13130208 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-22-6 5753 144213947 A A Corticosterone OCC(=O)[C@H]4CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_303642 -NCGC00256322-01 196727709 tox21-ror-cho-viability-p1 set3 4 -4.26963153 -6.37398137 -5.58095633 -5.52312301 -4.14482955 2.2578484 -2.00139487 -2.24376442 0 0 0 -0.51445078 1.22666068 1.78599635 -10.09053764 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1212-29-9 727200 144213155 A A N,N'-Dicyclohexylthiourea S=C(NC1CCCCC1)NC2CCCCC2 Tox21_302838 -NCGC00257503-01 196727714 tox21-ror-cho-viability-p1 set3 -2.2 54.4826732819 -44.1600837519 0.77023049 -43.3898532619 2.3031167061 0.9262744809 0.0000676397 8.83095864 -0.05091686 0.65264866 1.3179137 1.44292754 0.32906285 1.21056426 -1.5554656 0.60096301 1.56411229 0.46777006 -4.70801529 -1.38727365 -14.31419969 -33.46673646 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1219-38-1 14642 144213741 A A Octylparaben Oc1ccc(cc1)C(=O)OCCCCCCCC Tox21_303430 -NCGC00091643-08 196728111 tox21-ror-cho-viability-p1 set3 4 54.4826732819 -27.15165618 2 -25.15165618 1.21 0.7740256643 0.0131644625 -0.42724389 4.05127557 -1.07147259 6.33921837 1.93161004 0.93667913 3.63635179 3.05910297 1.58560606 1.83112789 2.3158474 -7.67507588 -0.30582966 -7.2647264 -17.62638015 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00259813-01 196721220 tox21-ror-cho-viability-p1 set3 4 61.7527572729 -16.601617168 -0.5 -17.101617168 3.9899729863 0.4436402725 0.2307570049 2.40130365 -11.06965572 -6.56684689 -2.63244297 -0.51661824 -0.05809959 -0.38703803 2.89351539 -0.26133609 4.97705459 3.91494503 0.4918416 0.14824539 -3.25752461 -14.25134764 1.19E-9 2.661E-9 5.95E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003719 0.000008315 0.00001859 0.00004157 0.000092959999999 58-33-3 6014 144209462 A A Promethazine hydrochloride Cl.CN(C)C(C)CN1c3ccccc3Sc2ccccc12 Tox21_202264 -NCGC00091330-07 196723226 tox21-ror-cho-viability-p1 set3 4 0.0023710138 -15.4611243159 12 -3.4611243159 0.3 0.3890522628 0.2998553834 7.72913968 5.44855273 5.31207195 -4.60417403 0.28078817 9.19635399 -0.16295417 2.70058563 -3.80845968 -0.30655514 -1.37704108 -3.60810529 -5.80093693 0.77010645 10.09397968 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1143-38-0 2202 170466655 F Anthralin Oc2cccc1Cc3cccc(O)c3C(=O)c12 Tox21_111115_1 -NCGC00159373-04 196723229 tox21-ror-cho-viability-p1 set3 4 37.5780357627 29.729143348 2.270856652 32 0.7999999999 0.4703735407 0.2051631812 2.88668623 1.5179469 4.98158038 -0.12128476 6.20537197 -2.69095279 -1.90497653 -0.20805406 10.10852889 9.5563596 14.77685747 -0.59072819 4.81843614 8.60298425 26.50090157 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 89-83-8 6989 170465504 Ac Thymol CC(C)c1ccc(C)cc1O Tox21_111613_1 -NCGC00259899-01 196721609 tox21-ror-cho-viability-p1 set3 4 28.2249356922 9.3938005639 -4.3938005639 5 4.9549173134 0.3728230505 0.2987551707 -6.12041372 -0.98293523 1.33968859 6.18804309 -4.96644221 -8.66150047 -6.46970669 -6.6720898 -7.79003123 -3.8441236 -5.93034728 -7.02015371 -4.4393768 5.1142644 3.67176806 1.213E-9 2.713E-9 6.067E-9 1.357E-8 3.034E-8 6.7829999999E-8 1.517E-7 3.3919999999E-7 7.5839999999E-7 0.000001696 0.0000037919999999 0.000008479 0.00001896 0.00004239 0.000094799999999 872-50-4 13387 144209548 A A N-Methyl-2-pyrrolidone O=C1CCCN1C Tox21_202350 -NCGC00259325-01 196721602 tox21-ror-cho-viability-p1 set3 4 34.3762428541 12.0852032879 -5.0852032879 7 4.5044702849 0.6396514295 0.0708406 -6.86653914 -4.85012855 -5.04650656 3.87770673 -3.82193036 -7.57100274 -4.99134233 -6.20136445 -6.98405584 -3.27677154 -6.92994906 -5.7468596 -4.54906306 3.07475592 7.31912432 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 3709-43-1 19458 144208974 A A Disodium 4,4'-dinitro-2,2'-stilbenedisulfonate [Na+].[Na+].O=S([O-])(=O)c2cc(ccc2C=Cc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)[N+]([O-])=O Tox21_201776 -NCGC00259304-01 196721608 tox21-ror-cho-viability-p1 set3 4 -6.01626692 -5.62172145 -4.25632132 2.5006557 -6.51891014 -6.16023665 -6.35238399 -7.23046547 -7.52860613 -4.25416861 -10.51402732 -6.23703946 -6.24404509 -2.08758597 -17.0568769 1.4499999999E-9 3.241E-9 7.248E-9 1.6209999999E-8 3.624E-8 8.103E-8 1.8119999999E-7 4.052E-7 9.06E-7 0.0000020259999999 0.00000453 0.00001013 0.000022649999999 0.00005065 0.0001132 55-80-1 5934 144208953 A A 3'-Methyl-4-dimethylaminoazobenzene CN(C)c2ccc(/N=N/c1cc(C)ccc1)cc2 Tox21_201755 -NCGC00259703-01 196721623 tox21-ror-cho-viability-p1 set3 4 43.4532278581 13.3602890239 -4.8602890239 8.5 3.5117481694 0.5525700765 0.1340666351 -5.29086285 -8.98668042 -0.02342685 2.16346004 -3.64112461 -3.5601743 -5.23497556 -7.20814297 -4.05435119 -4.61013244 -5.69990087 -9.46690752 -7.52537501 1.62438137 7.33836967 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004136 0.00009247 1936-15-8 9566064 144209352 A F C.I. Acid Orange 10 [Na+].[Na+].[O-]S(=O)(=O)c3cc(cc2ccc(O)c(/N=N/c1ccccc1)c23)S([O-])(=O)=O Tox21_202154 -NCGC00259485-01 196721624 tox21-ror-cho-viability-p1 set3 4 -16.95356443 -15.86162792 -3.78137595 -0.14526212 -12.35675951 -14.42988944 -10.71327048 -7.24221616 -6.38157303 -4.71895697 -7.45831992 -9.93006434 -9.72306206 -7.10075033 -14.85470446 1.188E-9 2.657E-9 5.941E-9 1.3279999999E-8 2.9699999999E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016609999999 0.000003713 0.000008303 0.00001856 0.000041509999999 0.00009282 1143-72-2 70837 144209134 A A 2,3,4-Trihydroxbenzophenone Oc2ccc(C(=O)c1ccccc1)c(O)c2O Tox21_201936 -NCGC00258947-01 196722009 tox21-ror-cho-viability-p1 set3 4 19.2525733245 9.321674004 -4.321674004 5 4.9549173134 0.3665165085 0.3045187366 -6.55718437 -3.13708814 -0.28335767 9.39623411 -7.34711124 -7.76806167 -7.6153084 -6.30190063 -4.59103072 -4.67292252 -6.8533446 -6.47415138 -0.5797833 5.40883805 4.25872634 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.571E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008214 0.00001837 0.00004107 0.00009184 6375-47-9 80779 144208594 A A N-(3-Amino-4-methoxyphenyl)acetamide Nc1cc(ccc1OC)NC(C)=O Tox21_201396 -NCGC00259170-01 196722018 tox21-ror-cho-viability-p1 set3 4 -16.72843061 -4.27851689 -6.64944268 -3.31803759 -1.8416364 1.68233459 0.45389233 2.2112683 -11.80904194 -0.75635035 -6.04640468 -6.94252023 -4.44312454 -0.88702628 6.3866744 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.613E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.00001848 0.00004133 0.00009242 540-72-7 516871 144208819 Sodium thiocyanate [Na+].[S-]C#N Tox21_201621 -NCGC00016446-11 196722415 tox21-ror-cho-viability-p1 set3 4 0.1333319023 13.7759281559 -7.7759281559 6 4.9549173134 0.6952640395 0.0402321411 -6.90273082 1.2015706 -5.62861291 -10.53198937 -12.72994013 -8.01506497 -10.52076282 3.24817781 6.2797398 9.18338123 7.03116328 -0.2813244 0.49109942 4.65337956 14.62563265 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 443-48-1 4173 170464948 A Metronidazole Cc1ncc([N+]([O-])=O)n1CCO Tox21_110441_1 -NCGC00261971-01 196713561 tox21-ror-cho-viability-p1 set2 4 -0.22715276 -0.83571251 -3.49733189 -3.20058059 0.13689966 -4.73249742 -0.61248728 0.82107396 -0.40820137 1.28552224 -0.12202718 -0.0262116 0.04480367 -0.29167185 1.08164014 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 42024-98-6 4019 170466055 A A Mazaticol OC(C(=O)OC1CC2CCC(C)(C)C(C1)N2C)(c3cccs3)c4cccs4 Tox21_113891 -NCGC00255032-01 196715183 tox21-ror-cho-viability-p1 set2 4 4.38883392 2.86959266 0.42908693 3.315002 -1.19576966 -0.0486607 -1.26897514 4.42471113 0.95724104 -0.84326681 3.50786728 -0.75222246 -1.09541723 1.38453518 0.90075889 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148477-71-8 22833506 144211450 C F Spirodiclofen CC(C)(CC)C(=O)OC2=C(C(=O)OC12CCCCC1)c3cc(Cl)cc(Cl)c3 Tox21_301133 -NCGC00091483-03 196713565 tox21-ror-cho-viability-p1 set2 -2.2 54.4826732819 -65.0737717351 1.3562284699 -63.7175432652 1.24751 0.9214351811 0.0000940675 0.91079895 3.08063395 1.96604778 2.68494804 2.03807111 -0.20190693 3.16684919 0.7517957 1.09849059 -0.33492512 1.24338766 -12.33324124 -13.90502354 -16.91715388 -48.27086611 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00274068-01 196713547 tox21-ror-cho-viability-p1 set2 4 3.7578035763 -8.036842528 -4.060694204 -12.097536732 2.4063783767 0.8743278105 0.0010096688 -6.41234941 -1.71724517 -4.37268881 -3.85616819 -3.79516014 -3.77398104 -3.42149477 -5.71073634 -4.26756845 -2.49955575 -5.03934099 -8.68519871 -12.58128061 -12.34991859 -10.64483478 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84625-61-6 55283 170464949 A Itraconazole CC(CC)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]6CO[C@@](Cn5ncnc5)(O6)c7ccc(Cl)cc7Cl Tox21_110854_1 -NCGC00253611-01 196713562 tox21-ror-cho-viability-p1 set2 4 5.68325982 5.07413027 2.32579777 0.83758709 1.00175517 3.30413008 0.96632486 1.92196339 0.39792489 0.48981378 2.15018405 -2.04212916 -1.96227148 -2.71714812 4.76256951 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77-51-0 6481 170465846 A F Isoaminile CC(C)C(C#N)(CC(C)N(C)C)c1ccccc1 Tox21_113743 -NCGC00254080-01 196713981 tox21-ror-cho-viability-p1 set2 4 -0.71960291 2.28521477 1.08394573 -0.72225798 -0.57720774 2.39423719 1.4853834 2.03297579 0.39576818 0.62937624 1.56603052 5.1971645 4.92635642 3.65045792 4.90416858 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-69-3 8128 144210346 A A Hexanedinitrile N#CCCCCC#N Tox21_300026 -NCGC00253935-01 196713984 tox21-ror-cho-viability-p1 set2 4 1.7211414596 5.2056546639 -5.7056546639 -0.5 1.6258976909 0.4688629762 0.2092490991 -3.06935588 -6.40140634 -2.75471912 -7.35414142 -11.00471222 -0.97928614 -5.64340848 -7.89806018 -3.32083275 -3.73839387 -1.18830747 -1.45685082 -1.52116412 -0.02850741 0.2195494 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 872-50-4 13387 144210417 A A N-Methyl-2-pyrrolidone O=C1CCCN1C Tox21_300097 -NCGC00254622-01 196714381 tox21-ror-cho-viability-p1 set2 4 -1.64808427 -0.44720247 -2.66308491 -2.50868422 -3.92340164 -5.90894019 -4.93873231 -7.67159006 -8.26539358 -0.43206943 -6.58362351 -7.80772267 -7.10251444 -5.71057869 -3.24306394 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 95737-68-1 91753 144211033 A A Pyriproxyfen CC(COc2ccc(Oc1ccccc1)cc2)Oc3ccccn3 Tox21_300716 -NCGC00254986-01 196714385 tox21-ror-cho-viability-p1 set2 4 -1.02167674 -1.75268679 -1.3938186 1.89840809 2.4969383 0.54109339 1.9484339 1.88568482 -1.02056341 0.51455534 -1.60382271 7.06268805 7.49509624 2.57585589 1.39778745 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69806-50-4 50897 144211402 A A Fluazifop-butyl O=C(OCCCC)C(C)Oc1ccc(cc1)Oc2ccc(cn2)C(F)(F)F Tox21_301085 -NCGC00090910-03 196714389 tox21-ror-cho-viability-p1 set2 4 0.0127824315 5.184865704 -5.684865704 -0.5 3.5117481694 0.4926920581 0.205401796 -4.94751193 -2.6309115 -9.32072142 -2.24227619 -0.16732777 -1.84646225 0.01602674 -1.52264965 1.04723275 -1.70746471 -0.18430106 0.91057004 0.53286648 -4.65960442 -7.50677196 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00254590-01 196714394 tox21-ror-cho-viability-p1 set2 4 6.3375338208 6.88237286 -6.38237286 0.5 4.9549173134 0.4372128211 0.237468693 -2.7533405 -4.05901942 -2.79150144 -10.69043466 -5.73306749 -3.29754425 -5.99920893 -15.31864405 -4.63323691 -5.9668021 -6.39334114 -0.12951506 1.55064585 -2.1360408 1.63709792 1.216E-9 2.72E-9 6.0809999999E-9 1.36E-8 3.041E-8 6.7989999999E-8 1.5199999999E-7 3.4E-7 7.6019999999E-7 0.0000016999999999 0.000003801 0.000008499 0.000018999999999 0.000042499999999 0.00009502 102268-15-5 113606 144210999 A A 5-Ethyl-2,3-pyridinedicarboxylic acid OC(=O)c1ncc(cc1C(=O)O)CC Tox21_300682 -NCGC00254158-01 196714395 tox21-ror-cho-viability-p1 set2 -2.4 61.130564862 -34.558235104 0 -34.558235104 2.3531167061 0.968241927 6.753E-7 0.42751291 1.15123053 0.57523392 -3.25730819 0.30570748 -0.17852648 0.15215687 0.45934453 0.02619786 -2.33542377 0.48920128 0.18027268 -3.07733198 -9.04601267 -25.46519592 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-59-2 7447 144210442 A A 2-Methoxy-5-nitroaniline Nc1cc(ccc1OC)[N+]([O-])=O Tox21_300122 -NCGC00254793-01 196714793 tox21-ror-cho-viability-p1 set2 4 -0.77968031 -1.36725578 -2.35336644 -1.72957937 -0.24222131 0.19190137 -0.76297324 -0.4330312 -1.2332964 -1.19274319 -0.35553997 0.36150478 4.63100889 3.71812619 0.67316052 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 34256-82-1 1988 144211206 A A Acetochlor ClCC(=O)N(COCC)c1c(C)cccc1CC Tox21_300889 -NCGC00015938-05 196712667 tox21-ror-cho-viability-p1 set2 4 6.6824247267 -16.333018196 6 -10.333018196 0.3 0.5754721747 0.1160645588 3.07685389 11.41868936 0.9621814 4.58402324 1.49933754 1.94738059 4.18806227 0.82780254 -0.39183497 0.37598414 -0.17592884 0.45564834 1.57971902 -5.33934714 -6.94418183 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94749-08-3 56801 170465397 D Salmeterol xinafoate OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc2ccccc2.O=C(O)c2ccc1ccccc1c2O Tox21_111270_1 -NCGC00164449-04 196712261 tox21-ror-cho-viability-p1 set2 -2.4 19.3311819617 -62.627668143 -6.701787261 -69.329455404 0.6 0.5677733692 0.1535073487 -3.24743232 -13.18997435 -6.19850413 -4.16581121 -6.5987662 -3.13595981 -6.92921784 -14.17014366 -29.68738781 -23.23515954 -16.02459581 -11.39192655 -52.5223147 -41.26445693 -6.10933802 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00015074-14 196712661 tox21-ror-cho-viability-p1 set2 4 3.6465732 2.20629981 -1.96024565 -0.70981223 1.44524442 -1.85122301 0.09207536 4.04923412 3.42937916 2.9486395 0.46037521 -1.30497278 3.13372124 4.40478084 1.62146149 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-66-5 1986 170464692 A Acetazolamide O=S(N)(=O)c1nnc(NC(C)=O)s1 Tox21_110078_1 -NCGC00091380-04 196712679 tox21-ror-cho-viability-p1 set2 4 0.0108707225 -6.895379196 5.5 -1.395379196 2.3531167061 0.6374062414 0.0853869926 3.25690698 9.64497802 1.2803218 3.07046646 -1.77636153 -0.87345328 -2.70584464 0.08140466 -2.29354678 0.16473025 -3.24614933 -0.55587026 -2.31366817 0.73488379 9.30495495 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00262938-01 196712684 tox21-ror-cho-viability-p1 set2 4 0.32174504 -1.79389944 -4.03009057 -2.91086909 0.11749002 1.05293561 0.17004949 -4.29720703 -0.06408746 0.48030314 1.59149582 -0.55932443 0.95186118 0.34159884 0.58119348 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55779-18-5 41574 170466341 A Ac Arprinocid Fc3cccc(Cl)c3Cn2cnc1c(N)ncnc12 Tox21_113931 -NCGC00016572-12 196713081 tox21-ror-cho-viability-p1 set2 4 0.87360115 0.23730482 -1.69504816 -0.9353839 -0.70049516 -2.241834 -4.09993005 -2.18749124 -3.03507867 1.60644638 2.45444814 -3.28988037 -1.10402519 -1.46576398 -2.67528515 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1220-83-3 5332 170465768 A Sulfamonomethoxine O=S(=O)(Nc1cc(OC)ncn1)c2ccc(N)cc2 Tox21_110502_1 -NCGC00096122-05 196713084 tox21-ror-cho-viability-p1 set2 -2.4 0.2984929481 -32.11186248 10 -22.11186248 0.4 0.9160267639 0.0001329862 6.24977202 6.71854027 6.08142865 5.02013357 5.05277987 -1.05931808 -0.98520095 -10.03351532 -0.38625103 -11.5732038 -11.0073388 -15.52689784 -13.0241508 -16.0773606 -20.5098854 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 574-25-4 676166 170465903 A Thioinosine Sc3ncnc2c3ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Tox21_111558_1 -NCGC00189077-01 196713088 tox21-ror-cho-viability-p1 set2 4 -4.02670808 -2.36319806 -4.82016237 0.89478415 1.74006341 -4.63675112 -2.45200522 -4.06159302 -0.77725835 -2.25361466 -7.77920747 -7.24302983 -8.54128576 -4.35813281 -2.96718925 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77-41-8 6476 144207162 A A Methsuximide CC1(CC(=O)N(C)C1=O)c2ccccc2 Tox21_113613 -NCGC00344543-01 196713090 tox21-ror-cho-viability-p1 set2 -1.1 7.4978038628 -84.2815444604 3.821184329 -80.4603601314 1.713743691 0.98979297 9E-10 9.00459903 6.22379207 5.49351888 3.86540287 3.34612812 3.83195092 5.25631556 2.6199592 -0.48556656 -2.84098356 -5.73101859 -15.56953446 -44.11752857 -71.55272936 -74.57171439 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72496-41-4 11296583 170465822 Cc Pirarubicin OCC(=O)[C@]4(O)Cc3c(c(O)c2C(=O)c1c(OC)cccc1C(=O)c2c3O)[C@H](C4)O[C@H]6C[C@H](N)[C@H](O[C@@H]5CCCCO5)[C@H](C)O6 Tox21_112602_1 -NCGC00024772-02 196713095 tox21-ror-cho-viability-p1 set2 4 -7.66217519 -5.06170769 -4.39977505 -5.48776733 -6.35289404 -3.46542407 -3.97494217 -7.1584806 -4.41048279 -2.84499509 -1.16067691 -2.6302242 -0.97316219 -2.49455612 0.05919758 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16142-27-1 197942 170466138 Z 3-Morpholinosydnonimine hydrochloride [Cl-].Nc1c[n+](no1)N2CCOCC2 Tox21_113577_1 -NCGC00094812-05 196713096 tox21-ror-cho-viability-p1 set2 4 -4.8377725 -3.26272484 -4.4542312 -1.11639503 0.10984231 -3.55738402 -2.13722055 -2.69237177 -1.13492001 -0.94761603 -0.90868316 2.76455594 -0.29611697 -0.5901791 4.03683868 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97-44-9 1985 170466503 A Acetarsol Oc1ccc(cc1NC(C)=O)[As](O)(O)=O Tox21_111336_1 -NCGC00259041-01 196709777 tox21-ror-cho-viability-p1 set2 4 -0.6078734 1.69839783 2.06206652 -1.37557321 4.42703278 -0.39999985 3.83522507 0.1602066 -2.0665236 0.42968164 -0.58076755 2.7681341 3.55032569 3.40909596 2.58659575 1.2399999999E-9 2.772E-9 6.198E-9 1.386E-8 3.099E-8 6.929E-8 1.549E-7 3.4649999999E-7 7.747E-7 0.0000017319999999 0.000003874 0.000008662 0.00001937 0.00004331 0.00009684 75-86-5 6406 144208688 A Bc 2-Hydroxy-2-methylpropanenitrile N#CC(C)(C)O Tox21_201490 -NCGC00255617-01 196728963 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -69.107656612 1.5519473185 -67.5557092935 4.9549173134 0.8004611224 0.007857772 2.91018114 -4.27664609 -2.66456923 8.70330107 8.47804927 9.11979035 -7.74459821 -6.44501994 5.45082286 -6.09782907 -2.91488898 -4.80474581 13.45467312 6.14147956 -55.50638051 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 82560-54-1 54886 144211899 A B Benfuracarb CC(C)N(CCC(=O)OCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12 Tox21_301582 -NCGC00255516-01 196728964 tox21-ror-cho-viability-p1 set3 4 2.81464583 -8.5746683 -1.98108005 -7.17004432 -2.69658567 -1.25746839 2.12603568 -4.19660972 1.58028013 -5.38299791 -2.87118395 -7.35823794 -3.82185424 1.39372757 0.16884128 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 42482-06-4 534543 144211838 A A 2-Octen-1-ylsuccinic anhydride O=C1OC(=O)CC1CC=CCCCCC Tox21_301521 -NCGC00258474-01 196729359 tox21-ror-cho-viability-p1 set3 4 1.6235127648 15.213650648 -7.213650648 8 0.2 0.4717723487 0.2058455389 -6.01137554 -4.60699761 2.95779845 -5.23183044 -5.56524905 -4.53240227 2.94268018 -0.49786666 -0.93231956 2.04595409 0 0 0.28395972 2.57776666 5.65516738 1.123E-9 2.511E-9 5.615E-9 1.256E-8 2.807E-8 6.278E-8 1.4039999999E-7 3.1389999999E-7 7.0189999999E-7 0.000001569 0.0000035089999999 0.000007847 0.00001755 0.00003924 0.00008773 110-00-9 8029 144208118 FNS Furan c1ccco1 Tox21_200920 -NCGC00257988-01 196729364 tox21-ror-cho-viability-p1 set3 4 1.37156746 -1.73601576 0.14962202 -6.98580834 -0.58977637 0.32638604 -1.16095041 1.40774377 0.0337771 3.14485254 -0.51592509 -0.59725835 1.02279761 -1.24031679 -1.05587145 1.1679999999E-9 2.612E-9 5.8409999999E-9 1.3059999999E-8 2.9209999999E-8 6.531E-8 1.4599999999E-7 3.265E-7 7.3019999999E-7 0.0000016329999999 0.0000036509999999 0.000008164 0.00001825 0.00004082 0.00009127 105-56-6 7764 144207632 A A Ethyl cyanoacetate N#CCC(=O)OCC Tox21_200434 -NCGC00257636-01 196729365 tox21-ror-cho-viability-p1 set3 4 27.444923243 -6.668406336 0 -6.668406336 4.9549173134 0.5231985627 0.1605399292 -1.62969864 0.71136003 -0.32874661 -1.64798072 0.51296193 -3.14450799 -1.78419073 1.34912813 3.00914532 2.4887426 1.27143475 -3.75611544 1.31323578 -8.05700528 -5.25910722 1.185E-9 2.6499999999E-9 5.9249999999E-9 1.325E-8 2.962E-8 6.6239999999E-8 1.481E-7 3.312E-7 7.406E-7 0.000001656 0.0000037029999999 0.0000082799999999 0.00001852 0.0000414 0.00009258 76-57-3 5284371 144207280 A A Codeine COc1ccc2C[C@H]4N(C)CC[C@@]35[C@@H](Oc1c23)[C@@H](O)C=C[C@@H]45 Tox21_200082 -NCGC00258610-01 196729376 tox21-ror-cho-viability-p1 set3 4 27.8901987353 -16.774795144 0 -16.774795144 4.9549173134 0.7895394447 0.0098684773 -0.54407347 1.08864861 0.83435189 -7.10203217 -1.64170498 0.1495227 -1.00499689 -1.87197062 -0.02264455 5.99385567 1.59672031 -0.20604329 -0.54279393 -16.89566262 -14.66303814 1.2009999999E-9 2.6849999999E-9 6.0029999999E-9 1.3419999999E-8 3.002E-8 6.712E-8 1.501E-7 3.356E-7 7.5039999999E-7 0.0000016779999999 0.0000037519999999 0.00000839 0.00001876 0.00004195 0.000093799999999 203-64-5 9147 144208255 A Ac 4H-Cyclopenta(def)phenanthrene c1cc2cccc3Cc4cccc1c4c23 Tox21_201057 -NCGC00257749-01 196729379 tox21-ror-cho-viability-p1 set3 4 2.85809997 1.10504322 2.67401351 0.12508124 2.85516085 0.61298794 0.74047123 3.62811786 3.25680511 -1.96167225 -0.87043884 1.22562159 -0.80374486 2.28247506 1.31455035 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003707 0.0000082899999999 0.00001854 0.00004145 0.00009269 872-05-9 13381 144207393 FNS 1-Decene CCCCCCCCC=C Tox21_200195 -NCGC00356996-01 196724875 tox21-ror-cho-viability-p1 set3 4 0.002730602 15.9717929999 -17.9717929999 -2 0.7 0.4777222593 0.1993271755 -13.3098275 -9.23536671 -6.9696927 -4.36120004 -8.94090575 -5.91201124 0.47933827 -1.30329039 -3.64806568 3.56393069 -8.56035784 -1.36129241 -3.2371866 -6.28832288 3.19030308 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 584-03-2 11429 251919752 A 1,2-Butanediol CCC(O)CO Tox21_303800 -NCGC00356984-01 196724855 tox21-ror-cho-viability-p1 set3 -2.1 18.8336317891 -113.2749013197 -1.5623217382 -114.8372230579 2.2526478767 0.9533894858 0.0000057128 -1.87953977 4.38369409 1.05713073 4.46969309 3.56538407 2.49000908 -0.61421591 -6.31779404 -11.59781194 -18.05562049 0.74374678 -0.4815811 -16.16220116 -68.74002322 -99.68508946 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 18015-76-4 9888276 251919880 F C.I. Basic Green 4 oxalate (1:x) C/[N+](C)=C1/C=C/C(C=C1)=C(/c2ccccc2)c3ccc(cc3)N(C)C.[O-]C(=O)C(=O)O Tox21_303916 -NCGC00260601-01 196724860 tox21-ror-cho-viability-p1 set3 4 0.0334914596 11.099058792 -7.599058792 3.5 0.7999999999 0.7245248033 0.0282418216 -7.39527 -9.24921566 -0.68035186 -7.89718507 -4.58875787 -2.4024008 2.87083432 -1.47362308 2.38158219 3.233516 1.44052944 6.10231425 0.79899885 6.05594734 1.24373766 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49497 144210254 M M NTP Mix4 AR1 8-EQC Tox21_203056 -NCGC00356997-01 196724873 tox21-ror-cho-viability-p1 set3 4 0.82443549 8.78083564 -2.17054622 11.20936019 6.36734949 -1.0168452 2.20299729 4.50745634 4.46554156 3.73971759 0.18836375 0.64400427 3.68130324 3.45708403 1.03814597 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 171118-09-5 6426849 251919736 I Metolachlor ESA O=S(=O)(O)CC(=O)N(C(C)COC)c1c(C)cccc1CC Tox21_303740 -NCGC00160541-02 196725686 tox21-ror-cho-viability-p1 set3 4 0.02353551 0.00232054 0.7321208 3.76682705 3.63304206 0.17174285 5.95251424 2.81592251 0.61742347 16.48231146 3.90867831 4.53083701 1.4638959 7.65505941 -6.18670037 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 109543-76-2 71321 170466072 A Romazarit O=C(O)C(C)(C)OCc1oc(nc1C)c2ccc(Cl)cc2 Tox21_111884_1 -NCGC00181011-02 196725692 tox21-ror-cho-viability-p1 set3 4 -0.21259307 -0.32202208 -1.64175991 -2.01726329 -8.77069595 0.47112595 0.48129158 -0.33972698 -0.61120136 -1.25103054 -9.0122722 -0.78666659 -0.78633046 -1.24386712 1.47979927 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103766-25-2 54679224 170466048 A Gimeracil ClC1=CNC(=O)C=C1O Tox21_112661_1 -NCGC00015362-05 196697932 tox21-ror-cho-viability-p1 set1 -2.4 33.4914596268 -31.052185352 -2.0435678 -33.095753152 4.9549173134 0.9210185947 0.0000972528 -3.53878302 -1.91588042 -0.0363065 -2.39307183 -5.23986612 -2.32164778 -2.95828884 -0.83422931 -5.90073187 -1.20073972 -1.790321 -0.13305552 -0.85695757 -1.05960905 -27.99646096 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15639-50-6 3058739 170466518 A Safingol N[C@@H](CO)[C@@H](O)CCCCCCCCCCCCCCC Tox21_111227_1 -NCGC00244579-01 196724076 tox21-ror-cho-viability-p1 set3 -3 61.130564862 -57.4842860618 0.9416072119 -56.5426788499 4.9549173134 0.8755140647 0.0009400503 -5.78554765 3.57372339 1.86078747 3.33726441 3.11813359 7.09073357 10.5726925 2.13550695 6.07740291 -4.24460769 -4.60327594 -7.0847414 -1.1581744 -6.54533499 -50.01123538 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00253611-01 196697920 tox21-ror-cho-viability-p1 set1 4 1.19805322 1.28257634 -0.89426023 0.37061892 1.02881005 0.43118115 1.17846325 2.50864117 0.2855611 1.52660003 -1.15917675 0.25318206 0.46500413 0.47549116 0.84467962 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77-51-0 6481 170465846 A F Isoaminile CC(C)C(C#N)(CC(C)N(C)C)c1ccccc1 Tox21_113743 -NCGC00094812-05 196697927 tox21-ror-cho-viability-p1 set1 4 -7.42003544 -4.56020973 -3.81602894 0.058347 0.36758822 0.56329181 0.96868449 -6.43744964 1.93240946 3.142241 1.43680675 -6.11619066 -5.53329246 -0.99274617 1.30596962 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97-44-9 1985 170466503 A Acetarsol Oc1ccc(cc1NC(C)=O)[As](O)(O)=O Tox21_111336_1 -NCGC00249930-01 196698334 tox21-ror-cho-viability-p1 set1 4 0.69823091 -0.50060641 -1.52392664 -1.21757733 -1.3278574 -2.61025459 -2.39058719 -2.57510689 -0.74189057 -1.09422546 -0.17584251 0.80421212 1.39287513 0.89669941 0.1731773 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3686-58-6 72137 170465945 A A Tolycaine O=C(Nc1c(C)cccc1C(=O)OC)CN(CC)CC Tox21_113706 -NCGC00015080-08 196723283 tox21-ror-cho-viability-p1 set3 4 0.0037578036 5.075486136 -3.075486136 2 3.0654483358 0.3328391286 0.3400434623 -2.42476888 -2.65393927 -2.31061834 2.60283153 2.23461998 1.84384813 3.5557203 3.47413798 -0.62465423 -0.29879778 3.74683115 1.43901238 -2.97957178 0.06009658 8.1201914 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52-88-0 657381 170465893 D Methylatropine nitrate C[N+]2(C)[C@H]1C[C@@H](C[C@@H]2CC1)OC(=O)C(CO)c3ccccc3.[O-][N+]([O-])=O Tox21_110735_1 -NCGC00160370-02 196722872 tox21-ror-cho-viability-p1 set3 4 1.8833631789 -15.976663036 3.5 -12.476663036 0.3 0.8676430134 0.0020948163 2.62436335 0.56558734 1.00036933 2.71596929 0 0 -2.95438945 -0.82206011 -2.71761186 -2.69892557 -3.04562936 -4.95875932 -8.73055253 -6.49370158 1.86091534 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7007-96-7 5360232 170466323 A Crotoniazide O=C(N\N=C\C=CC)c1ccncc1 Tox21_111768_1 -NCGC00187584-01 196723268 tox21-ror-cho-viability-p1 set3 4 0.8412674301 6.1123114521 0.8876885479 7 4.9549173134 0.3386907577 0.3314271114 0.19019087 0.12767157 -0.35838701 2.31139318 4.71283796 -5.92692621 2.88734794 -0.4336067 3.54966192 2.94542818 12.30399607 7.30328171 -3.80819774 8.68580664 10.40229399 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1934-21-0 5359657 144206961 F I FD&C Yellow 5 [Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)/N=N/C3=C(NN(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O Tox21_113411 -NCGC00274085-01 196723269 tox21-ror-cho-viability-p1 set3 2.2 33.4914596268 37.724024676 2.275975324 40 1.21 0.8065492398 0.006921046 4.0991138 4.05745255 3.30516903 -0.36836894 0 2.17766381 1.37335787 2.39223948 -2.68668723 3.52270035 11.51189828 5.06803175 3.91769796 13.46972428 30.42559271 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 30964-13-7 122685 170466869 A 1,5-Dicaffeoylquinic acid O[C@H]2[C@H](O)C[C@](C[C@H]2OC(=O)C=Cc1ccc(O)c(O)c1)(OC(=O)C=Cc3ccc(O)c(O)c3)C(=O)O Tox21_111176_1 -NCGC00090698-04 196723285 tox21-ror-cho-viability-p1 set3 4 4.31711455 0.1043712 -0.56102219 -3.76852915 -1.89939598 -12.29233223 -1.28516276 0.04687693 -6.81236858 -10.89435344 6.64498948 -0.26484287 -4.36837041 -1.15811168 5.38108874 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00018125-05 196723681 tox21-ror-cho-viability-p1 set3 4 0.2984929481 -18.0934339639 6 -12.0934339639 4.9549173134 0.6810583872 0.0469938978 16.02284465 9.42513081 -0.96464068 9.55286531 14.71478393 -7.02022976 -1.61892235 8.49867179 -8.73946307 -11.26444549 -13.73322459 -17.16119497 -9.46799234 -9.40105022 -10.20494435 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6138-56-3 197066 170465118 A Tripelennamine citrate O=C(O)C(O)(CC(=O)O)CC(=O)O.CN(C)CCN(Cc1ccccc1)c2ccccn2 Tox21_111518_1 -NCGC00164483-03 196723682 tox21-ror-cho-viability-p1 set3 4 0.26603212 -15.772165068 4 -11.772165068 4.9549173134 0.6316041154 0.0878606216 5.2397503 -3.89001587 1.38721116 8.60295922 11.39563935 -3.17067158 6.32295022 5.82632661 -10.12228063 -15.45742264 -14.05911291 2.5203114 -15.31428626 -15.64347089 -0.95608371 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 31386-24-0 178144 170466488 A Amindocate CN(C)CCOC(=O)c1cc2c(cc1)n(CCN(C)C)c(C)c2C Tox21_112125_1 -NCGC00257960-01 196716494 tox21-ror-cho-viability-p1 set2 4 0.02190998 1.42701793 0.69915033 -0.61745338 -3.63177606 0 0.47187658 -0.7040479 -1.15208433 -0.25161799 0.67376525 -0.48257453 0.82301757 0.29018933 0.48779767 1.231E-9 2.752E-9 6.153E-9 1.3759999999E-8 3.076E-8 6.879E-8 1.538E-7 3.4389999999E-7 7.691E-7 0.0000017199999999 0.000003845 0.000008598 0.00001923 0.00004299 0.000096129999999 108-31-6 7923 144207604 A A 2,5-Furandione O=C1C=CC(=O)O1 Tox21_200406 -NCGC00258369-01 196716495 tox21-ror-cho-viability-p1 set2 4 -1.33454299 3.04635789 -1.67153047 0.63516807 1.61517588 2.98207999 -0.00004225 3.2464669 -0.08735805 -1.19649949 4.95479739 3.25228116 2.38869478 2.96298409 4.19872943 1.19E-9 2.6619999999E-9 5.9519999999E-9 1.331E-8 2.976E-8 6.655E-8 1.4879999999E-7 3.3269999999E-7 7.44E-7 0.0000016639999999 0.00000372 0.000008319 0.0000186 0.00004159 0.000093 50-23-7 5754 144208013 A A Hydrocortisone OCC(=O)[C@@]4(O)CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_200815 -NCGC00258394-01 196716487 tox21-ror-cho-viability-p1 set2 4 3.67169907 2.29354644 4.57818539 1.34155151 5.95777716 0.46102052 3.29405639 1.18441275 4.112347 0.41292712 0.27607344 2.07067706 0.4543041 0.25189961 -2.90252775 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.961E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008275 0.0000185 0.00004138 0.000092519999999 542-88-1 10967 144208038 A A Bis(chloromethyl) ether ClCOCCl Tox21_200840 -NCGC00258045-01 196716492 tox21-ror-cho-viability-p1 set2 -2.4 61.3171122755 -25.9831162799 2 -23.9831162799 4.4494702849 0.9055130876 0.0002440243 1.34313038 0.88724139 1.75646496 0.74595285 1.40884987 2.42229097 3.83321351 4.88366387 4.48133877 -0.98316772 2.46911908 -1.87312435 3.63151492 -2.1231965 -20.4025969 1.183E-9 2.645E-9 5.913E-9 1.322E-8 2.9569999999E-8 6.611E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.0000082639999999 0.00001848 0.00004132 0.0000924 474-25-9 10133 144207689 A A Chenodeoxycholic acid O=C(O)CC[C@@H](C)[C@H]4CC[C@@H]1[C@]4(C)CC[C@@H]2[C@@]3(C)CC[C@@H](O)C[C@H]3C[C@@H](O)[C@@H]12 Tox21_200491 -NCGC00258645-01 196716498 tox21-ror-cho-viability-p1 set2 4 68.729149849 -23.234946184 3 -20.234946184 4.9549173134 0.8573099012 0.0018063864 6.39857846 1.73611334 2.07869715 1.3328314 2.02889556 6.51834302 3.3823333 3.44628662 1.86315921 1.10779228 3.13498475 2.63630048 -1.07207348 2.726263 -16.02912182 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.61E-8 1.4779999999E-7 3.305E-7 7.3899999999E-7 0.0000016529999999 0.0000036949999999 0.000008263 0.00001848 0.00004131 0.000092379999999 128-37-0 31404 144208291 A B Butylated hydroxytoluene CC(C)(C)c1cc(C)cc(c1O)C(C)(C)C Tox21_201093 -NCGC00091250-12 196716897 tox21-ror-cho-viability-p1 set2 4 0.0006682425 14.3477431359 -15.3477431359 -1 0.6 0.5538694654 0.1343651897 -11.12311928 -2.10479461 -6.96323304 -4.82272388 -1.13523172 -4.18879721 -1.5266574 -2.67137814 -0.46466592 -0.70515984 -1.9881413 -0.68911935 -0.81797953 1.79318121 -4.50621491 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-55-5 5770 170465405 A Reserpine COc1cc(cc(OC)c1OC)C(=O)O[C@@H]3C[C@@H]4CN5CCc2c6ccc(OC)cc6nc2[C@H]5C[C@@H]4[C@@H]([C@H]3OC)C(=O)OC Tox21_111107_1 -NCGC00263565-01 196716901 tox21-ror-cho-viability-p1 set2 4 1.89288865 2.78340485 3.96311344 1.68613301 2.02393357 0.15030792 2.40246402 -0.22130649 -2.07321805 -0.49176226 -1.50082001 -3.19720858 -2.49144556 -1.84474146 -1.58731755 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60282-87-3 3033968 170466131 A Gestodene O=C4CC[C@H]3C(CC[C@@H]2[C@@H]3CC[C@@]1(CC)[C@H]2C=C[C@@]1(O)C#C)=C4 Tox21_112232_1 -NCGC00024589-06 196716913 tox21-ror-cho-viability-p1 set2 4 0.26603212 -4.034563696 2 -2.034563696 4.9549173134 0.3727868539 0.3010783505 -5.02880308 1.60199844 2.51140795 0.16998123 3.05152226 2.25259921 3.64143192 6.8599768 -3.18840106 -1.27833951 -3.37017803 -3.05136163 -0.74029628 -1.04780943 -2.26410462 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54239-37-1 2755 170466620 Z Cimaterol N#Cc1cc(ccc1N)C(O)CNC(C)C Tox21_110908_1 -NCGC00095088-05 196716921 tox21-ror-cho-viability-p1 set2 4 -1.10116513 -2.86497071 -1.93611227 -3.54673216 0.89057843 -3.21238414 -2.0398891 -1.01073313 -2.77557589 -4.02832638 -2.27813819 1.71570895 -3.35118858 -1.15570674 -2.56773152 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 141-90-2 1269845 170466804 A Thiouracil O=C1C=CNC(=S)N1 Tox21_111418_1 -NCGC00263967-02 196716922 tox21-ror-cho-viability-p1 set2 4 2.89034888 1.13713585 0.63142108 3.31979326 2.41120157 3.99810226 3.4440365 4.25949592 2.16456064 1.80045598 1.80561875 3.65002187 1.09952888 -1.841797 2.99028235 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 121268-17-5 23681107 170465098 F Alendronate [Na+].O.O.O.OC(CCCN)(P(O)([O-])=O)P(=O)(O)O Tox21_111553_1 -NCGC00095042-06 196717320 tox21-ror-cho-viability-p1 set2 4 -1.11725842 -0.6164386 1.85651865 4.05433323 5.71539258 5.19138199 6.16710481 7.82441415 0.6995879 0.53700498 2.25203752 0.665162 0.10968998 -1.10902821 0.86461772 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00018269-05 196717324 tox21-ror-cho-viability-p1 set2 4 -1.9789285 -4.31056194 -0.63170674 -1.45951447 -2.01146881 -0.25707317 1.17678693 -31.73643371 -1.53124416 -4.39201974 -3.84639759 -1.1903609 0.59311297 -2.28350275 -9.44073261 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 34140-59-5 5388977 170465734 A Trimebutine maleate COc1c(cc(cc1OC)C(=O)OCC(CC)(c2ccccc2)N(C)C)OC.O=C(O)/C=C\C(=O)O Tox21_111554_1 -NCGC00256192-01 196711021 tox21-ror-cho-viability-p1 set2 4 2.88312702 1.30500105 3.26895608 2.07781161 1.70610256 2.97591626 2.34940574 3.45488592 2.63475983 -1.93099135 4.6970992 3.10196475 3.81119906 3.0366892 4.63993594 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68298-46-4 91697 144212274 A A 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-amine Nc1cccc2CC(C)(C)Oc12 Tox21_301957 -NCGC00255932-01 196711032 tox21-ror-cho-viability-p1 set2 4 13.6854287769 -20.369348744 4 -16.369348744 0.3 0.7751152463 0.0129953198 2.93042695 4.76116225 3.2547679 0.03789194 2.19463053 0.05126282 -3.27718082 -4.15004717 -0.04391846 -2.41277554 -4.36900616 -4.18370781 -3.20685117 -6.4284685 -12.80779062 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-00-2 6621 144211983 A A 4-Chlorophenyl phenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccccc2 Tox21_301666 -NCGC00257530-01 196710206 tox21-ror-cho-viability-p1 set2 4 -4.7319485 -1.1092585 -3.08282142 0.68825342 -2.82075042 -1.73893806 -0.03058907 -1.79021881 -0.83258592 0.54670368 1.27646743 -2.1935018 -0.37237292 -2.58330844 -2.6481277 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 133-32-4 8617 144211604 A A Indole-3-butyric acid O=C(O)CCCc2cnc1ccccc12 Tox21_301287 -NCGC00256189-01 196710620 tox21-ror-cho-viability-p1 set2 4 2.72546837 -0.06219198 1.62457698 -1.52528652 -0.53208584 0.89481622 -1.48272501 -0.85774941 -0.34782383 3.48469575 1.90618692 1.03587827 2.45850325 1.70872703 3.1123467 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 501-52-0 107 144212646 A A Hydrocinnamic acid O=C(O)CCc1ccccc1 Tox21_302329 -NCGC00256173-01 196711033 tox21-ror-cho-viability-p1 set2 4 3.03839179 3.87414842 2.12780159 -1.58623033 2.67732285 0.24403508 -0.37262041 1.9157676 0.32409044 2.3484888 3.04444701 1.63840427 -0.87420958 -1.05927493 1.91428311 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-50-3 61048 144212644 A Ac Isobutyl benzoate CC(C)COC(=O)c1ccccc1 Tox21_302327 -NCGC00257549-01 196711036 tox21-ror-cho-viability-p1 set2 4 -2.15487518 -5.87485839 -6.05268582 -4.67072485 -5.99237341 -9.66689253 -2.47450202 -4.44298292 -3.15251565 -0.9906926 -4.64018327 -3.85382719 -4.05184968 -0.00969829 -3.37130054 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3878-55-5 77487 144212505 B A Monomethyl succinate O=C(O)CCC(=O)OC Tox21_302188 -NCGC00256221-01 196711041 tox21-ror-cho-viability-p1 set2 4 54.4826732819 10.9673743599 -0.9673743599 10 1.98874246 0.7241451253 0.0291162779 2.21989014 -3.3061453 -3.20392984 -0.67744609 -3.21582153 -1.08584244 -0.65972132 -0.73016306 0.11269146 -0.73541731 -0.2543262 -1.03453462 0.32934949 2.99530873 7.06784436 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 44860-68-6 94785 144212075 A A 2,2'-(Methanediyldisulfanediyl)diethanol OCCSCSCCO Tox21_301758 -NCGC00090780-04 196711438 tox21-ror-cho-viability-p1 set2 4 -0.12339467 0.18892602 0.31932421 1.13103351 1.59483183 -2.82877389 -4.45251254 2.45170471 -0.07063753 2.24747071 -0.25712081 2.71563566 -6.66427653 -5.64674073 8.16968851 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00090858-02 196711442 tox21-ror-cho-viability-p1 set2 4 8.6349217992 -5.505623844 1 -4.505623844 3.5117481694 0.4396778126 0.2366790493 0.27682896 2.12786413 2.06009961 0.09972685 1.62251033 -0.27083062 3.46786988 -1.57699214 -0.10842312 1.4079619 0.03376746 0.71468383 -10.83801987 -1.33604384 -2.20665476 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00260025-01 196711443 tox21-ror-cho-viability-p1 set2 4 2.38526803 0.47900793 0.05012925 -0.26876273 1.31969111 2.86422598 3.41854245 -2.74009731 2.09906992 4.35990444 0.31489518 -2.49452404 -3.98363137 0.54825519 -2.6950138 5.9159999999E-10 1.3229999999E-9 2.958E-9 6.615E-9 1.4789999999E-8 3.307E-8 7.395E-8 1.6539999999E-7 3.698E-7 8.268E-7 0.0000018489999999 0.000004134 0.000009244 0.00002067 0.000046219999999 16323-43-6 85983 144209674 A A 3,3'-(1,4-Phenylene)bis-2-propenoic acid O=C(O)C=Cc1ccc(C=CC(=O)O)cc1 Tox21_202476 -NCGC00090987-03 196711856 tox21-ror-cho-viability-p1 set2 4 0.6206116 0.12671571 0.53386683 -0.64516353 -0.04944176 -0.3571712 -0.50417263 -0.41730922 0.13649183 1.61603454 3.30141909 1.26462556 0.67301496 -1.48548005 -6.06545288 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00260339-01 196711854 tox21-ror-cho-viability-p1 set2 2.4 33.6618561614 20.227392284 1.772607716 22 0.9999999999 0.7607969998 0.0166258939 0.9311513 1.1302654 -0.18949357 2.80157152 4.6352158 1.77283838 3.2551555 0.070994 0.52689185 3.20390474 4.70769866 4.0073547 6.03483605 4.9865591 16.81917417 5.9239999999E-10 1.3249999999E-9 2.9619999999E-9 6.623E-9 1.481E-8 3.3119999999E-8 7.405E-8 1.656E-7 3.7019999999E-7 8.2789999999E-7 0.000001851 0.0000041399999999 0.0000092559999999 0.0000207 0.00004628 54-12-6 1148 144209991 A A dl-Tryptophan O=C(O)C(N)Cc2cnc1ccccc12 Tox21_202793 -NCGC00260299-01 196711868 tox21-ror-cho-viability-p1 set2 4 -2.65781304 -2.32628837 -2.30025295 0.10598921 -1.79664203 -1.13779659 -0.301952 11.57507563 3.90468445 -3.08680531 -0.83202193 11.81897946 3.27341981 -3.38261132 12.07846704 1.188E-9 2.657E-9 5.942E-9 1.3289999999E-8 2.971E-8 6.6429999999E-8 1.4849999999E-7 3.3219999999E-7 7.427E-7 0.0000016609999999 0.000003714 0.000008304 0.00001857 0.00004152 0.00009284 5421-46-5 21534 144209949 Ac Ac Ammonium thioglycolate [NH4+].[O-]C(=O)CS Tox21_202751 -NCGC00091080-03 196726935 tox21-ror-cho-viability-p1 set3 4 2.0373311583 -9.73409336 1.5 -8.23409336 0.5 0.6997137905 0.0388059172 -2.47480623 4.8113174 2.84068003 0.4057644 0.04375663 0.24906325 -0.8644568 -2.1465185 -3.80638738 -1.44574602 -0.99269701 -6.08394656 -7.6950778 -7.59407474 -5.44158933 1.1199999999E-9 2.5029999999E-9 5.5979999999E-9 1.2519999999E-8 2.799E-8 6.258E-8 1.399E-7 3.129E-7 6.9969999999E-7 0.0000015649999999 0.000003499 0.000007823 0.000017489999999 0.00003912 0.000087459999999 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00256391-01 196727352 tox21-ror-cho-viability-p1 set3 4 -2.64848283 -2.20701911 -2.82626481 -1.00083051 1.79136052 1.78759634 -4.42724056 -1.55482932 -1.20211475 -4.66244872 0 1.64591696 -1.54519593 1.21201298 -2.92400903 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-51-4 802 144213048 A A Indole-3-acetic acid O=C(O)Cc2cnc1ccccc12 Tox21_302731 -NCGC00256948-01 196727358 tox21-ror-cho-viability-p1 set3 4 -7.57463403 -8.44751537 3.90058693 -7.83126517 -4.10084652 -6.69740323 -4.94563832 3.31400819 -4.85358616 -4.35700172 -7.3408726 2.36007642 -8.52614773 -8.02641989 -1.75715686 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-64-2 8404 144213642 Z Fc Tetralin c1ccc2CCCCc2c1 Tox21_303325 -NCGC00090698-04 196727369 tox21-ror-cho-viability-p1 set3 4 -0.34378349 -0.24121638 -3.01177945 2.34186219 -0.74676121 -0.52580457 0.03046561 -1.0301871 0.97007503 0.9654401 -0.0165474 -2.45975944 -6.51017931 -3.31980629 -2.46813462 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00163735-04 196727794 tox21-ror-cho-viability-p1 set3 4 8.1599137387 -5.3153556039 0 -5.3153556039 4.9549173134 0.4072302105 0.2670701217 3.00968428 -3.9056435 -0.49153378 -3.36739145 -1.07038489 -0.11223894 4.02319727 -2.17335769 4.09177873 -3.57846098 3.90574667 -3.59708815 -3.86924706 -7.34612967 -5.0658529 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00255729-01 196728193 tox21-ror-cho-viability-p1 set3 4 -0.14392011 1.12613941 -1.38079258 -0.66172288 -0.71408707 3.43516567 4.46361396 0.61181062 2.36776778 2.03711624 2.78226923 0.08941688 -2.48094531 -0.75774453 2.18510614 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-08-0 6516 144212484 F Ethenyl(triethoxy)silane CCO[Si](OCC)(OCC)C=C Tox21_302167 -NCGC00091351-03 196728201 tox21-ror-cho-viability-p1 set3 4 0.86190217 -2.29755217 2.48747244 -3.08397766 -4.79330768 -0.27409708 -4.11447165 -6.79056514 -0.00711517 -4.34781912 3.41181209 -6.66656976 -4.86740784 0.23361839 -0.15319428 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00256166-01 196728205 tox21-ror-cho-viability-p1 set3 4 1.26048911 17.9484783 5.47260865 1.70217621 6.05431401 7.6323069 3.40115534 6.53263884 4.12451564 3.68664278 2.46231675 -0.77322411 1.18116327 3.30077577 0.8305714 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16066-35-6 6640 144212079 A Bc 4-(Propan-2-yl)benzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(C)C Tox21_301762 -NCGC00255819-01 196728605 tox21-ror-cho-viability-p1 set3 4 1.1384542 -4.17430481 -2.49281197 -5.41075669 2.57576262 -1.30885091 1.76128328 0.85371003 -0.13994803 -5.3296855 -4.3935481 -3.93580063 0.7171005 -0.35787661 1.86693155 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 589-68-4 79050 144211824 A A Tetradecanoic acid, 2,3-dihydroxypropyl ester OCC(O)COC(=O)CCCCCCCCCCCCC Tox21_301507 -NCGC00255514-01 196728616 tox21-ror-cho-viability-p1 set3 -1.1 19.3311819617 -82.6444760889 -8.150725757 -90.7952018459 2.2526478767 0.9895187723 1.1E-9 -1.22976462 -9.95806833 -5.88698393 -12.11884888 -7.98308273 -10.12531842 -7.00957546 -10.81547583 -8.14994713 -11.17498372 -11.11829441 -15.23682025 -46.37332783 -79.84181359 -87.97984675 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 39300-45-3 53249535 144212534 C D Dinocap O=C(Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)CCCCCC(C)C)\C=C\C Tox21_302217 -NCGC00255584-01 196728620 tox21-ror-cho-viability-p1 set3 4 3.12954432 -0.40472049 0.18999588 3.67442945 -0.50668269 2.30381286 -1.43708387 -1.38099801 -1.79747467 -0.65568793 3.94965293 1.43133759 -1.13277288 1.33904316 0.93077116 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1444-64-0 15046 144212259 D A 2-Phenylcyclohexanol OC2CCCCC2c1ccccc1 Tox21_301942 -NCGC00255937-01 196729103 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -24.0113631879 -1 -25.0113631879 4.9549173134 0.9069991149 0.0002263653 1.56180601 -1.57199786 -2.39770958 -0.43893712 -1.09908251 -0.91904591 1.55074158 -2.22649737 1.52858766 -2.22235005 -2.34021426 -0.62322423 -1.98392268 -0.40417453 -19.17613599 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3567-62-2 19113 144212209 A A N-(3,4-Dichlorophenyl)-N'-methylurea Clc1ccc(NC(=O)NC)cc1Cl Tox21_301892 -NCGC00092310-06 196697950 tox21-ror-cho-viability-p1 set1 4 1.15071716 0.1212907 5.94765352 1.23929779 1.64903436 -0.49257762 0.98953662 4.00813899 0.78513092 -0.29851675 0.18633541 4.47107412 3.76861061 0.9135377 -0.53344958 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71675-85-9 2159 170466480 A Amisulpride CCN2CCCC2CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC Tox21_113392_1 -NCGC00260230-01 196724106 tox21-ror-cho-viability-p1 set3 4 62.0019276794 12.861455696 -1.861455696 11 4.0949729863 0.3577833338 0.3133535183 -5.87499858 4.34975632 0.23811223 0.88026409 5.5837477 -5.35952647 -5.35230552 -2.4633511 -2.8596848 -7.80121308 0.78388679 -5.45312143 -0.89332391 0.31783484 9.04900415 1.194E-9 2.6689999999E-9 5.968E-9 1.335E-8 2.9839999999E-8 6.6729999999E-8 1.4919999999E-7 3.3359999999E-7 7.4599999999E-7 0.000001668 0.00000373 0.0000083409999999 0.00001865 0.0000417 0.000093249999999 845835-03-2 57358854 144209880 A A 1-Butyl-3-methylpyridinium hexafluorophosphate Cc1ccc[n+](CCCC)c1.F[P-](F)(F)(F)(F)F Tox21_202682 -NCGC00091284-03 196724109 tox21-ror-cho-viability-p1 set3 4 -3.7379164 -0.50248071 -2.87494466 -12.06448664 4.8890971 -3.83343378 -2.51616063 0.43276167 -4.51452935 -2.13196521 -0.19918917 -0.59947542 -5.11110349 -2.31570313 -2.52177474 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00357117-01 196724111 tox21-ror-cho-viability-p1 set3 4 0.019331182 6.6590485559 -6.6590485559 0 4.9549173134 0.3977256226 0.275193126 -11.79920713 -2.08741841 -4.36221767 -7.76208268 1.50755938 0.55805102 2.08875182 1.93156954 -3.29639603 -0.174568 -2.7805124 -4.45871865 -4.91797528 5.69584018 1.17908955 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1207-12-1 71012 251919980 F 4,6-Dimethyldibenzothiophene Cc3cccc2sc1ccc(C)cc1c23 Tox21_303847 -NCGC00024915-04 196697956 tox21-ror-cho-viability-p1 set1 4 1.7074946 5.74926298 3.9798101 0.0708373 -0.05764598 1.53806374 0.06222009 3.08261143 0.16738535 -3.8017647 0.60383764 0.54133606 1.77982439 1.78742481 1.13281362 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 160415-07-6 5311429 170466891 Z SCH 50911 CC1(C)NC[C@H](CC(=O)O)OC1 Tox21_110936_1 -NCGC00160275-03 196697958 tox21-ror-cho-viability-p1 set1 -1.1 1.635346279 -75.0336134186 -1.0095179319 -76.0431313505 2.9022712143 0.9947191764 0 -0.09475562 2.60191329 -4.99069135 -0.18124905 -0.06541521 -0.00694314 -1.80721982 -2.39788789 -1.57988064 1.3661177 -15.71889468 -49.86672267 -73.71915642 -77.49326603 -72.82093043 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 20004-62-0 5282060 170466395 F Geliomycin Oc5cc1c3c4c(C(=O)c2c(O)cc(O)c(C(=O)C1(C)C)c23)c(O)cc(C)c45 Tox21_111753_1 -NCGC00024643-10 196697959 tox21-ror-cho-viability-p1 set1 4 -0.4480421 0.96747954 -4.9132057 -8.90532668 -7.78709914 -1.49595941 0.60338331 -0.76803652 -1.63742668 -5.75419416 -4.68853081 -5.89659693 -0.99203851 -4.94905125 1.5165118 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23210-56-2 3689 170465791 A Ifenprodil OC(C(C)N1CCC(CC1)Cc2ccccc2)c3ccc(O)cc3 Tox21_110915_1 -NCGC00016819-05 196697961 tox21-ror-cho-viability-p1 set1 4 -2.91079139 0.80905281 0.1182759 0.36762544 -2.39613224 -0.03949524 -0.29284412 -0.45918304 0.52411053 -0.52530106 -0.16698279 0.5800432 -1.23576186 -0.51649672 -0.76279085 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33342-05-1 91610 170465581 A Gliquidone O=C(NC1CCCCC1)NS(=O)(=O)c2ccc(cc2)CCN4C(=O)c3cc(ccc3C(C)(C)C4=O)OC Tox21_110629_1 -NCGC00091163-03 196698360 tox21-ror-cho-viability-p1 set1 4 1.36729404 7.11576348 1.15418856 0.29193949 1.81684592 0.37820614 2.38395047 7.09283725 0.76605078 -0.24251035 2.18598703 5.31839441 0.81118317 1.41279332 0.78147344 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00344539-01 196698361 tox21-ror-cho-viability-p1 set1 4 0.0023710138 -4.9433829479 4 -0.9433829479 4.9549173134 0.4775465664 0.2041670954 1.05262326 6.63105442 -0.44868829 -0.15492645 1.17286809 -2.32545395 0 -1.58240631 0.69253183 -1.00749802 -0.98768906 -0.19461179 -0.15687132 -4.11948579 -2.06952076 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87151-85-7 55652 170466255 A Spiradoline Clc1ccc(cc1Cl)CC(=O)N(C)[C@H]2CC[C@]4(C[C@@H]2N3CCCC3)CCCO4 Tox21_113060_1 -NCGC00164615-02 196698372 tox21-ror-cho-viability-p1 set1 4 0.0008412674 8.53163136 -6.03163136 2.5 4.9549173134 0.3123909718 0.3593147128 -4.6096928 1.58040383 6.87592616 1.46827694 -0.26899557 1.02658901 0.8484658 8.01358811 -0.15662604 2.26754617 3.74308018 5.26315857 0.90917801 0.24618846 -0.66640561 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123447-62-1 65947 170465849 A Prulifloxacin CC=5OC(=O)OC=5CN1CCN(CC1)c2cc3c(cc2F)C(=O)C(=C4SC(C)N34)C(=O)O Tox21_112235_1 -NCGC00254769-01 196698780 tox21-ror-cho-viability-p1 set1 4 1.2197151236 4.2440312 -1.7440312 2.5 1.0999999999 0.3117099591 0.3755604278 1.69476985 0.35012375 -5.620026 -3.03884323 -3.60303833 0.08878182 -2.40456478 2.40086371 -2.36186201 0.1011513 3.20807963 0.08956607 5.75150154 0.0580312 -4.76971404 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 36734-19-7 37517 144211182 A A Iprodione O=C2CN(C(=O)NC(C)C)C(=O)N2c1cc(Cl)cc(Cl)c1 Tox21_300865 -NCGC00254804-01 196720029 tox21-ror-cho-viability-p1 set3 4 15.33589614 2.09923366 2.55902434 10.7113073 7.71655353 11.36152301 7.43019767 -0.73238579 1.09891 -3.38611702 4.23277088 5.77540703 6.14957418 5.03789688 8.09092082 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79538-32-2 5281874 144211217 A A Tefluthrin Cl\C(=C/C2C(C(=O)OCc1c(F)c(F)c(C)c(F)c1F)C2(C)C)C(F)(F)F Tox21_300900 -NCGC00256832-01 196718150 tox21-ror-cho-viability-p1 set2 4 -0.6064708 -0.77237267 1.03692137 0.20660892 -0.09955897 2.45253954 0.2386728 2.0288374 -0.37328193 0.85490768 2.25242795 -5.39325312 0.03807069 -5.14494194 0.06708841 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65894-82-8 5362564 144212776 F F 2-(2-Butyl)-4,5-dimethyl-3-thiazoline CC1=NC(SC1C)C(C)CC Tox21_302459 -NCGC00167500-02 196717328 tox21-ror-cho-viability-p1 set2 4 -12.07527081 -12.8891156 -11.77603674 -9.05415646 -8.24510956 -10.59530142 -1.17848297 -2.95015377 -8.99235717 -13.44990231 -8.23890087 -2.80341949 -2.50207038 -12.24967936 -2.85737192 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54350-48-0 5282375 170465372 F Etretinate Cc1c(C)c(/C=CC(\C)=C\C=C\C(\C)=C\C(=O)OCC)c(C)cc1OC Tox21_112501_1 -NCGC00016251-13 196717335 tox21-ror-cho-viability-p1 set2 4 0.20287376 0.04319946 -0.18610542 2.42036362 1.25820418 5.3478487 5.05212707 4.07809527 0.2228326 2.7104615 1.28440659 4.66165924 6.31548994 3.86381065 3.53571709 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-66-9 4911 170464839 A Probenecid O=S(=O)(N(CCC)CCC)c1ccc(cc1)C(=O)O Tox21_110328_1 -NCGC00249918-01 196717745 tox21-ror-cho-viability-p1 set2 4 0.2984929481 -6.13421632 4 -2.13421632 4.9549173134 0.3780402213 0.2936675643 2.28633545 0.9866519 1.16853416 1.22591902 2.70056681 1.81176365 15.73667178 4.68876496 -0.97161516 -2.05916098 -5.5285136 2.75641007 -5.16596929 -2.91978672 -1.00806635 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2236-31-9 102232 170465876 F A Estriol tripropionate CCC(=O)Oc3cc4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2C[C@@H](OC(=O)CC)[C@@H]1OC(=O)CC)c4cc3 Tox21_113694 -NCGC00256683-01 196718152 tox21-ror-cho-viability-p1 set2 4 -2.71211328 -2.05959486 -6.65639747 0.11690876 -2.96878225 -1.12821228 -0.11007008 -1.52343334 -1.29249841 0.09368188 -4.05276018 -2.25780648 -6.72553672 1.04571833 -2.17261065 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 104-53-0 7707 144212811 Z F 3-Phenylpropanal O=CCCc1ccccc1 Tox21_302494 -NCGC00257124-01 196718160 tox21-ror-cho-viability-p1 set2 4 0.0076958822 6.553845088 -2.053845088 4.5 4.9549173134 0.3514117121 0.3357127321 -2.05834568 -1.59482719 -2.12820424 8.78522262 -0.60387573 7.07103528 2.50918773 6.35238025 4.20613302 6.55431665 11.16503424 0.02647706 1.44154154 0.1911677 1.23755552 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-75-2 7455 144213441 A A Methyl 4-methylbenzoate COC(=O)c1ccc(C)cc1 Tox21_303124 -NCGC00257253-01 196718161 tox21-ror-cho-viability-p1 set2 4 3.8570778872 4.7557200639 -5.7557200639 -1 4.9549173134 0.3652370025 0.3075162581 -3.08166657 -6.61270572 -4.67259932 -3.2337363 -10.62976672 -6.00441005 -2.06034774 -1.94069288 -9.96147721 -9.07500707 -3.41125812 1.64497485 -1.09888015 -4.53215146 0.60184007 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 114651-37-5 163934 144213912 A A {4-[(Ethenyloxy)methyl]cyclohexyl}methanol OCC1CCC(COC=C)CC1 Tox21_303607 -NCGC00256838-01 196718563 tox21-ror-cho-viability-p1 set2 4 0.53502855 -0.52626591 -1.61763034 1.46632358 -1.2477753 2.68475716 -0.73579983 2.85438379 6.79887981 4.79463978 0.39519264 0.06374243 1.89133429 1.87604294 -0.37374214 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67883-79-8 15461361 144212890 A Ac (3Z)-Hex-3-en-1-yl (2E)-2-methylbut-2-enoate O=C(OCC/C=C\CC)C(\C)=C\C Tox21_302573 -NCGC00094532-06 196718567 tox21-ror-cho-viability-p1 set2 4 1.28906131 -2.08805276 2.98839915 -6.96288674 -3.59535123 -0.90374312 -0.6305724 -4.53679545 -1.97375437 -3.52355503 -0.38728462 0.34062248 1.60651912 -4.48122096 -5.56167781 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00257078-01 196718568 tox21-ror-cho-viability-p1 set2 4 2.1248429 1.13531525 2.35199753 2.71281543 0.41231003 2.5577801 1.92867433 4.40987229 3.86252955 0.41026414 11.04345029 1.63322794 -0.55170605 -0.84772553 -1.18116008 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 583-78-8 66 144213370 A A 2,5-Dichlorophenol Clc1ccc(Cl)c(O)c1 Tox21_303053 -NCGC00257410-01 196718570 tox21-ror-cho-viability-p1 set2 4 0.21585141 0.98125641 1.0883591 2.47873185 -0.59605518 2.69220599 1.85146112 0.63119253 3.88720165 -0.20237126 5.36101706 5.02430157 0.51894352 1.51773945 1.40428049 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7775-27-1 62655 144213897 F Sodium persulfate [Na+].[Na+].O=S(=O)([O-])OOS([O-])(=O)=O Tox21_303592 -NCGC00257495-01 196718584 tox21-ror-cho-viability-p1 set2 4 24.3365162115 6.286094536 0.713905464 7 0.6 0.3717639414 0.3053644007 -0.23690395 -0.08934394 0.8022285 1.78142586 3.26508176 -1.90507878 1.63750309 0.90073727 1.03675805 0.26199435 3.18289796 0.9245184 8.21665879 1.75284485 4.90040175 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 120-92-3 8452 144213867 A Ac Cyclopentanone O=C1CCCC1 Tox21_303562 -NCGC00255173-01 196711119 tox21-ror-cho-viability-p1 set2 -2.4 68.5896218971 -27.4429110519 -1.5 -28.9429110519 2.4729283767 0.9031413297 0.0002772777 -1.18383615 -2.12959132 0.65884018 -0.11281284 0.56519359 -0.61437376 -4.48105364 -1.03653956 0.32274576 -2.6232345 -3.7905027 -1.09603227 -4.90352989 -6.52286777 -20.78575921 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 470-90-6 10107 144211890 A A Chlorfenvinphos Clc1cc(Cl)ccc1C(OP(=O)(OCC)OCC)=CCl Tox21_301573 -NCGC00357162-01 196712291 tox21-ror-cho-viability-p1 set2 4 0.5955717308 30.3775539 1.6224461 32 0.7999999999 0.5632682493 0.1249232014 4.69884812 2.21896338 -0.82676842 0.81493456 -1.56462825 3.70519108 0.19840578 2.64389757 5.73087282 3.3243365 5.08276331 6.20341615 3.30017145 2.13432127 24.45307718 5.899E-12 1.319E-11 2.949E-11 6.595E-11 1.475E-10 3.2969999999E-10 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 541-85-5 7822 251919810 Fns 5-Methyl-3-heptanone CC(CC)CC(=O)CC Tox21_303912 -NCGC00260153-01 196711876 tox21-ror-cho-viability-p1 set2 4 0.1237101098 -11.749721216 0.5 -11.249721216 3.2974983358 0.4306831031 0.4887161104 2.2055493 -0.41450254 0.18285675 0.32319717 -0.39403334 -1.16317883 -45.4322206 -9.68564085 -11.39756242 -9.65842324 -19.37891723 -1.04703702 -14.43097939 2.26998206 -25.62476768 1.194E-9 2.671E-9 5.9709999999E-9 1.335E-8 2.986E-8 6.676E-8 1.493E-7 3.338E-7 7.464E-7 0.000001669 0.000003732 0.000008345 0.00001866 0.000041729999999 0.000093299999999 367522-96-1 12195864 144209803 A A 1-Butyl-1-methylpyrrolidinium trifluoromethanesulfonate CCCC[N+]1(C)CCCC1.FC(F)(F)S([O-])(=O)=O Tox21_202605 -NCGC00260666-01 196712290 tox21-ror-cho-viability-p1 set2 4 3.69724371 5.10911983 0.57111775 -0.18635703 0.30573805 2.47836691 4.63681008 8.78758212 3.80443006 4.42078266 3.6409314 3.48040174 5.62584432 8.29748072 0.6312692 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49562 144210319 M M NTP Mix30 AR2 7-EQP Tox21_203121 -NCGC00357258-01 196712293 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -31.274532144 -0.5 -31.774532144 4.9549173134 0.6350446123 0.0732083514 1.79235783 0.68520785 0.31895897 -0.90715597 0.89210137 -0.25813747 -0.10956895 -1.11907761 0.059445 -16.72582887 -0.16720262 3.37639804 0 1.28317103 -24.81211012 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-90-5 7728 251919651 Ac 5-Ethyl-2-methylpyridine CCc1cnc(C)cc1 Tox21_303710 -NCGC00016278-10 196712699 tox21-ror-cho-viability-p1 set2 4 -1.76592294 -3.43769589 0.99042678 0.41266372 -2.50757835 -1.10571937 -1.98510284 -0.13049417 -1.72899378 0.58672489 0.72601326 -1.45330245 -2.07987828 1.04787441 1.32940416 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61-68-7 4044 170464813 A Mefenamic acid O=C(O)c2ccccc2Nc1cccc(C)c1C Tox21_110344_1 -NCGC00096119-02 196712710 tox21-ror-cho-viability-p1 set2 4 29.8492948118 15.7314554039 -2.7314554039 13 4.0949729863 0.7959038472 0.0087888288 -5.60954617 -4.43145021 -4.36705797 -5.01844241 -3.43528121 -4.79227774 0.30182321 -3.78742261 -2.73317184 -2.076177 -0.34552299 -1.66003794 -0.74573876 0.04017224 10.56979674 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-63-9 6021 170465655 A Inosine Oc3ncnc2c3ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Tox21_111522_1 -NCGC00091423-08 196713102 tox21-ror-cho-viability-p1 set2 4 0.016785492 -13.6035053919 12 -1.6035053919 0.5 0.8804965426 0.000785537 9.56728459 10.28143714 7.65875352 5.39320109 4.65606993 5.18729894 5.82296403 -0.04027241 0.09234057 -0.33250254 -0.73699773 -0.12064163 -0.13478467 -4.25292116 0.23107446 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 621-42-1 12124 170466279 A 3-Acetamidophenol Oc1cccc(NC(C)=O)c1 Tox21_111130_1 -NCGC00181774-02 196713103 tox21-ror-cho-viability-p1 set2 4 1.01455278 0 -0.9811015 -0.57624749 1.65261885 1.46945896 1.72955784 -1.15428184 0.95142822 -1.02276326 -0.89101386 -0.63380572 -0.80114066 -0.01100926 0.55224263 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 491-59-8 10288 170465659 F Chrysarobin Oc2c3c(cc1cccc(O)c12)cc(C)cc3O Tox21_113041_1 -NCGC00344522-01 196713121 tox21-ror-cho-viability-p1 set2 4 0.016785492 10.31898516 -7.81898516 2.5 0.2 0.3795953615 0.2960173453 -8.5991543 -0.18205798 -0.88263963 -4.7022906 -3.86219039 0.03319378 -0.59513947 -3.12304727 -3.77059806 0.27108506 -0.66155128 -0.59690953 -0.03618487 -0.32584796 2.99663271 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 90-80-2 7027 170465327 Z Gluconolactone O[C@H]1[C@H](O)[C@@H](O)C(=O)O[C@@H]1CO Tox21_111383_1 -NCGC00090816-05 196713125 tox21-ror-cho-viability-p1 set2 4 0.0133331902 -7.04619886 7 -0.04619886 4.9549173134 0.720001819 0.030199559 2.00900131 10.78547874 7.55382691 7.02814329 2.63070517 0.23998693 1.28484734 1.28387211 -0.56576541 0.54971217 -0.65903005 -2.53849905 -1.79029925 1.06432118 -0.26911104 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123-30-8 403 170466875 Z 4-Aminophenol Nc1ccc(O)cc1 Tox21_113477_1 -NCGC00256271-01 196711065 tox21-ror-cho-viability-p1 set2 4 2.25978225 4.62121679 1.99241994 3.82191074 1.58974621 1.91209368 0.44465151 1.32468199 -0.01212124 -0.07416 1.6935 0.46523238 0.70790671 0.49283523 4.276989 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1124-05-6 70755 144212128 A Ac 1,4-Dichloro-2,5-dimethylbenzene Clc1cc(C)c(Cl)cc1C Tox21_301811 -NCGC00091009-05 196710642 tox21-ror-cho-viability-p1 set2 4 0.0013791952 -11.417936228 11.5 0.082063772 4.9549173134 0.7036937113 0.0375828159 8.84372805 0.0377583 -0.27710258 1.33652482 -0.42972057 0.32009026 1.458505 0.90285226 0.31993595 0.64204659 2.14841043 0.35509331 -1.09943897 -1.36415309 -4.09828019 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00255579-01 196729024 tox21-ror-cho-viability-p1 set3 -1.1 8.5822609669 -121.6798361995 5.1977186455 -116.482117554 2.7867712143 0.9915810126 3E-10 1.95640114 3.5461413 9.10449596 -3.86022002 7.13170596 12.28426154 7.27471907 8.575695 -0.12595701 8.00946686 -9.17318006 -46.3549678 -103.93838256 -117.6587046 -115.10873444 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 2390-60-5 75444 144211853 A A Basic Blue 7 [Cl-].CC/[N+](CC)=C1/C=C/C(C=C1)=C(\c3ccc(NCC)c2ccccc23)c4ccc(cc4)N(CC)CC Tox21_301536 -NCGC00255543-01 196729036 tox21-ror-cho-viability-p1 set3 4 61.130564862 -13.84983662 3 -10.84983662 1.34431 0.5932979168 0.1030951832 1.76276523 8.54478764 3.04066367 -0.09282092 1.89446417 0.45916609 5.19417247 3.83523744 3.73931505 4.31637546 1.03312691 0.98930422 -0.46426741 0.03832789 -7.37486385 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 137-66-6 54680660 144212243 A Ascorbyl palmitate OC=1C(=O)O[C@H]([C@@H](O)COC(=O)CCCCCCCCCCCCCCC)C=1O Tox21_301926 -NCGC00255787-01 196729038 tox21-ror-cho-viability-p1 set3 4 0.0006410266 -19.46094448 -1.10377904 -1.29316056 2.58455954 1.90393153 0.15578972 -0.76985443 1.11454583 2.22569635 5.31317801 2.54632027 -2.44236665 -0.63127513 1.56998499 0.11432503 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1335-66-6 101150 144212180 F F Isocyclocitral CC1CC(C)=CC(C)C1C=O Tox21_301863 -NCGC00255932-01 196729039 tox21-ror-cho-viability-p1 set3 4 4.8557733675 8.552738968 -5.052738968 3.5 4.9549173134 0.4035245675 0.2855790365 0.77869885 2.52101819 0.45689164 -7.46947711 -3.55304632 -8.36972386 -8.01267097 -7.71077033 -8.79394914 -8.43208299 -6.31413023 8.2464688 3.13457904 -0.65410911 -7.87818846 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-00-2 6621 144211983 A A 4-Chlorophenyl phenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccccc2 Tox21_301666 -NCGC00256021-01 196729041 tox21-ror-cho-viability-p1 set3 4 0.55233565 -0.95840532 -1.41750669 2.43463324 0.16033009 2.4032484 -0.28286018 -0.57771885 2.99627455 3.39425373 1.50628434 -3.96295501 -1.35789209 -1.283065 -1.10061355 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-72-6 66826 144212591 A A Nitarsone O=[N+]([O-])c1ccc(cc1)[As](O)(O)=O Tox21_302274 -NCGC00257924-01 196729433 tox21-ror-cho-viability-p1 set3 4 1.9331181962 -8.9360922479 0 -8.9360922479 4.9549173134 0.3311404009 0.3530670432 0.04465413 0.75243739 -0.36779132 2.24284671 -1.54213934 -0.67549221 -1.76062982 2.6656543 -0.62879334 0.2705174 -26.19674354 0 -2.07812861 -8.84108073 -3.05008565 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.000003688 0.000008248 0.00001844 0.00004124 0.000092209999999 87-60-5 6894 144207568 A A 3-Chloro-2-methylaniline Nc1cccc(Cl)c1C Tox21_200370 -NCGC00258644-01 196729450 tox21-ror-cho-viability-p1 set3 4 2.15980819 2.1057428 0.95172712 0.72832859 1.99459536 0.33456034 1.12179323 1.84284755 0.26422679 -0.8635497 2.51489276 0.20058412 -0.98401273 -2.91787186 -3.03661879 1.2049999999E-9 2.695E-9 6.027E-9 1.348E-8 3.013E-8 6.738E-8 1.507E-7 3.3689999999E-7 7.533E-7 0.0000016839999999 0.0000037669999999 0.000008422 0.000018829999999 0.000042109999999 0.00009417 78-92-2 6568 144208290 A Ac 2-Butanol CC(O)CC Tox21_201092 -NCGC00091044-02 196729856 tox21-ror-cho-viability-p1 set3 4 -1.7327663 1.64756797 1.81321687 0.29984661 -0.5945612 1.78333934 1.39728693 1.96234357 -0.89096829 -0.98364052 1.92737971 2.75560789 -3.49435813 -3.74617107 -4.09815178 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00254429-01 196700027 tox21-ror-cho-viability-p1 set1 4 18.8336317891 10.708180196 -2.708180196 8 0.4 0.4844034265 0.1953785675 1.10660008 -0.66033443 -5.15720635 -6.00681683 -0.74412202 -5.6666789 -0.67823994 0.92919936 -0.34995479 -0.57815259 0.33869091 0.04626745 2.62776048 1.12762963 5.17039223 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_47267 10132209 144210752 A A CP-642931 C[C@@H](O)c1nccc(n1)N2[C@H](C)CN(C[C@@H]2C)c3nc(C)nc(C)n3 Tox21_300434 -NCGC00254913-01 196699627 tox21-ror-cho-viability-p1 set1 4 -4.77184243 -2.70881647 0.29034569 -2.8721072 -1.40459328 -5.40287155 -0.94313197 -3.19605303 -9.66089297 -0.21751236 -0.54474549 1.78397957 0.05423141 -15.00135898 2.43456834 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 928-96-1 5281167 144211328 F (Z)-3-Hexen-1-ol CC\C=C/CCO Tox21_301011 -NCGC00254229-01 196699628 tox21-ror-cho-viability-p1 set1 -3 62.0177042878 -76.8701990913 -1.0731617509 -77.9433608422 4.9549173134 0.993286043 1E-10 1.09402954 -0.66835486 -0.33253633 -1.82212396 -2.72745316 -2.04987062 -2.75340308 -2.01917489 0.98829738 -0.25758344 -3.45044358 -1.2018209 -0.05608311 -7.15785856 -64.63758797 1.085E-9 2.427E-9 5.427E-9 1.213E-8 2.713E-8 6.067E-8 1.3569999999E-7 3.034E-7 6.783E-7 0.0000015169999999 0.000003392 0.0000075839999999 0.00001696 0.00003792 0.00008479 200940-23-4 15981450 144210536 A A SB243213A Cl.Cc4ncccc4Oc1ccc(cn1)NC(=O)N3CCc2cc(C)c(cc23)C(F)(F)F Tox21_300216 -NCGC00254213-01 196700031 tox21-ror-cho-viability-p1 set1 4 1.2197151236 -5.598093964 0 -5.598093964 3.0654483358 0.3973370463 0.2925912867 2.12781167 -6.67198323 -4.04660466 1.39841806 2.86368617 2.56267264 3.28893602 -4.19722496 2.025198 -6.21655898 -5.02966949 -7.58174497 -3.3000941 -5.48148936 2.49286191 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-54-4 7393 144210423 A A 4-tert-Butylphenol CC(C)(C)c1ccc(O)cc1 Tox21_300103 -NCGC00091210-02 196700042 tox21-ror-cho-viability-p1 set1 4 61.130564862 -12.204402892 0 -12.204402892 2.9022712143 0.4587091624 0.2181740581 -1.86577359 1.12758113 -2.57674068 0.68481353 -1.2416254 -3.03263718 8.32532372 -1.41041194 -0.63188398 -0.77965115 1.11472588 -1.20082842 -0.60792579 -2.75874931 -9.33700241 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00091586-02 196721255 tox21-ror-cho-viability-p1 set3 4 -5.08822762 -1.68779047 -0.55571465 6.65136679 -7.51308468 -8.16599011 -4.22925529 -6.1811005 -6.84317172 -3.01538271 -5.22418394 -2.90426207 -3.18788273 -0.32164117 -3.13636612 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00257518-01 196720864 tox21-ror-cho-viability-p1 set3 4 0.0038570779 28.572664872 -29.572664872 -1 1.0999999999 0.7784654106 0.0541825237 -50.34321726 -21.31055406 -8.73983098 -3.25601217 -7.5034533 -8.48842396 -1.12568837 -2.82021261 1.0331132 0.52058689 -2.04245145 -1.48151185 -1.27806715 -0.00818403 1.59514763 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-03-2 326 144211029 B 4-Isopropylbenzaldehyde CC(C)c1ccc(C=O)cc1 Tox21_300712 -NCGC00254344-01 196720866 tox21-ror-cho-viability-p1 set3 4 0.0054482673 12.8000548959 -14.8000548959 -2 0.8999999999 0.6347706541 0.0741201249 -9.95067573 -14.83337908 -7.34208652 -1.93578204 -6.82142459 -4.72877422 -2.19272827 0.23621076 -2.36783945 -2.4291921 -0.31212667 -3.08154877 -4.3780366 -0.99606048 -5.92360137 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 824-78-2 13214 144210795 A A Sodium 4-nitrophenolate [Na+].O=[N+]([O-])c1ccc([O-])cc1 Tox21_300477 -NCGC00255038-01 196720873 tox21-ror-cho-viability-p1 set3 4 0.65945647 -3.46360912 -1.62795083 -1.23707305 3.15374505 3.85292779 -3.66989909 1.33383599 0.00613585 -0.50755638 -2.22970136 4.82353188 -0.56921797 0.75355612 1.74780956 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18436-37-8 86736 144211457 A A alpha-Hexyl-gamma-butyrolactone O=C1OCCC1CCCCCC Tox21_301140 -NCGC00259303-01 196721257 tox21-ror-cho-viability-p1 set3 4 75.1622947323 -22.518356404 -1 -23.518356404 0.4 0.4795469093 0.1972308606 -7.02518239 1.14333988 -2.5553624 8.96685404 -2.13372463 -1.25077666 -6.17833069 -5.65255439 -5.95361096 -4.89517969 -6.32955586 -7.22728629 -5.43045755 -7.12138507 -17.93196367 1.157E-9 2.587E-9 5.786E-9 1.2939999999E-8 2.8929999999E-8 6.4689999999E-8 1.446E-7 3.234E-7 7.2319999999E-7 0.000001617 0.0000036159999999 0.000008086 0.000018079999999 0.00004043 0.0000904 104-91-6 7729 144208952 FC 4-Nitrosophenol O=Nc1ccc(O)cc1 Tox21_201754 -NCGC00259551-01 196721260 tox21-ror-cho-viability-p1 set3 4 27.3337914917 8.9039928799 -2.9039928799 6 4.9549173134 0.6720922163 0.0524765735 -4.86323973 -0.82161893 -1.23062749 -1.28584317 0.0595922 -2.20608242 -5.7533274 -3.41988353 -4.47809994 0.71513787 -2.90579114 -4.32211938 -4.0683688 6.87394348 4.92531008 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004125 0.00009223 3319-31-1 18725 144209200 AC Ac Tris(2-ethylhexyl) trimellitate CCC(CCCC)COC(=O)c1cc(C(=O)OCC(CC)CCCC)c(cc1)C(=O)OCC(CC)CCCC Tox21_202002 -NCGC00259268-01 196721262 tox21-ror-cho-viability-p1 set3 4 27.0562917993 9.527203752 -3.527203752 6 4.9549173134 0.5934974683 0.1024401072 -5.33628877 -2.93358881 -3.30002635 2.44521737 -5.14926913 -7.93933646 -4.88288623 -2.23477653 -4.38606024 -1.62177158 -3.88371593 -4.60005271 -4.49243765 8.63464126 2.83508351 1.171E-9 2.618E-9 5.8549999999E-9 1.3089999999E-8 2.927E-8 6.546E-8 1.464E-7 3.2729999999E-7 7.3179999999E-7 0.0000016359999999 0.0000036589999999 0.000008182 0.0000183 0.000040909999999 0.00009148 110-44-1 643460 144208917 A A Sorbic acid C\C=C\C=C\C(=O)O Tox21_201719 -NCGC00091278-03 196720263 tox21-ror-cho-viability-p1 set3 4 0.0048557734 15.14724572 -15.14724572 0 0.6 0.7296088003 0.0264813549 -10.78733934 -10.9560381 -3.41583144 -4.12455725 -8.7280744 -0.4282964 -3.15874596 -0.11302561 0.05059386 1.39795127 -0.01893184 -3.11550567 0.81342213 -0.3234724 -0.35277072 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00254668-01 196714011 tox21-ror-cho-viability-p1 set2 4 9.6885416101 -25.959857624 1.5 -24.459857624 0.6999999999 0.9307237522 0.0000488671 0.56457459 -0.23519818 1.87628084 1.26997468 0.82660014 0.35806527 1.24794347 -1.10357933 1.43019424 -7.49546661 -10.9085245 -6.906222 -13.95743249 -18.35154498 -19.96654802 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101463-69-8 91766 144211081 A A Flufenoxuron Clc3cc(ccc3Oc2ccc(NC(=O)NC(=O)c1c(F)cccc1F)c(F)c2)C(F)(F)F Tox21_300764 -NCGC00095109-08 196713203 tox21-ror-cho-viability-p1 set2 4 -5.48768501 -5.22791524 -3.58985504 -4.37067288 -4.20963035 -5.59165256 -3.09520479 -1.90535443 -2.45572785 -2.82415586 -0.31754267 -2.15546475 -0.70905816 -2.00615165 0.68254147 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 93413-69-5 5656 170465123 A Venlafaxine OC1(CCCCC1)C(CN(C)C)c2ccc(OC)cc2 Tox21_111425_1 -NCGC00160664-03 196713607 tox21-ror-cho-viability-p1 set2 4 16.7854920005 19.2180293759 -2.2180293759 17 2.4063783767 0.6413033811 0.0820345361 -2.4577421 0.21957408 -2.67199996 -3.51357394 -0.44711932 -3.45740541 0.03908374 0.27857976 -3.48164771 1.31685271 -3.08281756 -3.49070361 -4.76502448 13.14763518 -12.52684699 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4008-48-4 19910 170466124 A Nitroxoline [O-][N+](=O)c1ccc(O)c2ncccc12 Tox21_111969_1 -NCGC00090789-02 196713612 tox21-ror-cho-viability-p1 set2 4 19.3311819617 5.17278634 -1.17278634 4 4.9549173134 0.4908711609 0.1900623389 2.87921342 -0.12683711 -1.11601254 -2.03973437 -0.57031621 -0.52546753 -1.75305307 -5.97732195 0.33107892 -0.65777566 -3.35887897 -3.25255791 1.63197496 2.99120446 5.10073863 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00254368-01 196714013 tox21-ror-cho-viability-p1 set2 4 2.15524429 0.96858748 1.12674892 0.96509837 0.05564699 1.13583681 1.57177141 0.30407374 1.62734345 1.02826025 -0.10007411 5.63615292 5.94862513 1.3288972 4.04854509 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 478149-53-0 9930121 144210766 A A PHA-00543613 O=C(N[C@H]2CN1CCC2CC1)c3cc4ccoc4cn3 Tox21_300448 -NCGC00254051-01 196714035 tox21-ror-cho-viability-p1 set2 4 27.3060203028 -13.203851676 1.5 -11.703851676 4.9549173134 0.6509440918 0.0756826028 2.88551557 1.50552352 4.04131854 3.58668653 3.17860636 -1.41438284 -0.28619838 -2.37395613 1.80093918 6.88584387 1.20022268 -1.8834002 2.05687964 -12.25320973 4.00089177 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47333 9951932 144210581 A A PharmaGSID_47333 Cc1ncc(cn1)[C@H](CC(=O)O)CCCCCCc2ccc3CCCNc3n2 Tox21_300261 -NCGC00254824-01 196714439 tox21-ror-cho-viability-p1 set2 4 -2.69967005 2.18548237 -4.64063376 2.48639792 -5.12419145 -4.94253943 -3.84924069 -5.4235564 -3.89448489 -2.33294126 -1.2159244 0.53081773 -0.64498865 -0.25295012 2.19181885 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-11-1 66858 144211238 A A 3-((Ethylphenylamino)methyl)benzenesulfonic acid OS(=O)(=O)c2cc(CN(CC)c1ccccc1)ccc2 Tox21_300921 -NCGC00253989-01 196714857 tox21-ror-cho-viability-p1 set2 4 1.30349056 -0.76864105 1.3280416 -1.08414115 -3.75669621 -6.65091396 2.051226 -3.53458248 -3.38238182 -0.91182795 0.7003636 2.11220598 1.34638394 -0.51475077 -4.35829151 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-93-0 6506 144210324 A B Triethyl citrate OC(CC(=O)OCC)(CC(=O)OCC)C(=O)OCC Tox21_300004 -NCGC00254009-01 196715264 tox21-ror-cho-viability-p1 set2 -1.2 21.6899429044 -55.2541402514 -2.83951821 -58.0936584614 1.6604358099 0.9709287883 4.061E-7 0.54307221 -1.25694956 -0.92945916 0.3804155 0.22088311 -8.33404583 -0.02092402 -7.50058151 -5.78292527 -5.55897715 -6.52372875 -12.1190779 -25.18301176 -45.7803188 -52.85210989 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-95-6 8455 144210410 Ac Ac 2,4-Bis(2-methylbutan-2-yl)phenol Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC Tox21_300090 -NCGC00258769-01 196715267 tox21-ror-cho-viability-p1 set2 4 0.8377817 4.19845762 0.76554805 0.17496119 0.40228981 0.01341378 0.38589332 0.2187908 0.59884121 -1.20982347 -0.69946379 -1.52856136 -0.4921844 -1.16718599 -5.42443971 1.187E-9 2.653E-9 5.9329999999E-9 1.327E-8 2.9669999999E-8 6.633E-8 1.4829999999E-7 3.317E-7 7.416E-7 0.0000016579999999 0.000003708 0.000008292 0.00001854 0.00004146 0.000092709999999 874-42-0 13404 144208415 A Ac 2,4-Dichlorobenzaldehyde O=Cc1ccc(Cl)cc1Cl Tox21_201217 -NCGC00258479-01 196715273 tox21-ror-cho-viability-p1 set2 4 -1.14692901 -2.11157657 -8.28459932 0.4461209 0.21674947 1.64725419 3.35734103 -3.42773799 -3.47827938 -0.14452526 -5.74021981 2.17562562 1.54820379 -8.56785205 -5.42484714 1.185E-9 2.649E-9 5.923E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 103-84-4 904 144208123 A A Acetanilide O=C(C)Nc1ccccc1 Tox21_200925 -NCGC00356955-01 196711899 tox21-ror-cho-viability-p1 set2 2.4 68.5896218971 32.5 4 36.5 4.4494702849 0.8926756676 0.0004597121 0.10429256 7.2391479 4.50794752 2.29796615 5.84974989 8.32501936 4.91226416 3.07354641 0.24088368 5.52019076 4.28648019 2.26261659 3.3415508 6.27867272 29.62208902 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23128-74-7 90004 251919785 A Antioxidant 1098 CC(C)(C)c1cc(cc(c1O)C(C)(C)C)CCC(=O)NCCCCCCNC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C Tox21_303983 -NCGC00260406-01 196711902 tox21-ror-cho-viability-p1 set2 -3 0.6287533633 -62.9549246166 -3.549088317 -66.5040129336 4.9549173134 0.938887443 0.0033525229 -5.90810071 -1.75591241 -8.05372927 -0.85277379 -6.10028533 -0.85334837 -8.79427907 0.10905519 -50.38182798 4.76027898 2.6544909 -0.63520948 -1.70040539 2.10662918 -18.55276537 1.208E-9 2.702E-9 6.041E-9 1.3509999999E-8 3.021E-8 6.754E-8 1.51E-7 3.3769999999E-7 7.552E-7 0.000001689 0.0000037759999999 0.0000084429999999 0.00001888 0.00004222 0.0000944 623-51-8 12185 144210058 A Acetic acid,mercapto-,ethylester O=C(OCC)CS Tox21_202860 -NCGC00357111-01 196711883 tox21-ror-cho-viability-p1 set2 4 48.5577336745 -16.5775016839 -1 -17.5775016839 2.2526478767 0.6313480614 0.0760286857 1.15459757 0.61213403 -0.51956525 -4.62509732 -0.43189495 1.50174458 1.0991123 -0.06932687 -10.00445115 -1.458265 -0.7528647 0 -2.53553022 -7.76048077 -14.64791807 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6174-86-3 5355079 251919981 A 3-chloro-7-hydroxy-4-methyl-2-benzopyrone Oc1ccc2c(c1)OC(=O)C(Cl)=C2C Tox21_303840 -NCGC00260212-01 196711890 tox21-ror-cho-viability-p1 set2 2.4 69.4973960317 26.2026617 2.7973383 29 3.9899729863 0.913706007 0.0001542271 3.78098886 3.70374796 1.00555636 1.74753971 0.29454743 -0.16888475 0.73391591 3.80749383 4.27882041 3.77428576 4.0240635 4.94156071 3.47320081 5.3613209 22.98026184 1.193E-9 2.667E-9 5.964E-9 1.3339999999E-8 2.982E-8 6.668E-8 1.491E-7 3.3339999999E-7 7.455E-7 0.0000016669999999 0.0000037269999999 0.000008335 0.00001864 0.00004167 0.00009318 94280-72-5 19838382 144209862 A A 1-Butyl-1-methylpiperidinium bromide [Br-].C[N+]1(CCCC)CCCCC1 Tox21_202664 -NCGC00260585-01 196712302 tox21-ror-cho-viability-p1 set2 -1.4 0.0211316824 -13.1278966159 0 -13.1278966159 4.9549173134 0.4409869519 0.2680579385 -0.54122585 0.34789781 -1.31511403 -0.01343606 0.22200762 -16.27113219 -13.92638342 -12.46687174 -11.07434706 -8.91251813 -9.5230786 -33.02324718 0 -22.09649937 -17.25075493 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49481 144210238 M M NTP Mix44 CT1 3-EQP Tox21_203040 -NCGC00260107-01 196712312 tox21-ror-cho-viability-p1 set2 4 0.669194143 -10.639357592 0 -10.639357592 4.9549173134 0.3921222949 0.2791275776 0.92439771 0.75726863 2.78560239 1.25908678 2.72810215 -1.40547195 -10.42250945 0 1.30538567 -8.10954488 -18.95355784 0 -13.91577245 0.64623857 -19.69946466 5.906E-10 1.3209999999E-9 2.9529999999E-9 6.603E-9 1.476E-8 3.3009999999E-8 7.382E-8 1.651E-7 3.691E-7 8.253E-7 0.000001846 0.000004127 0.0000092279999999 0.000020629999999 0.000046139999999 142-91-6 8907 144209756 F Fns Hexadecanoic acid, 1-methylethyl ester CC(C)OC(=O)CCCCCCCCCCCCCCC Tox21_202558 -NCGC00253622-01 196712715 tox21-ror-cho-viability-p1 set2 4 2.24807202 -0.89390542 -3.76408786 -1.49629305 -1.53404194 -2.83350615 -2.79396226 -3.42254799 -6.94407529 -5.52196598 -2.69597647 -4.13417289 -4.3236183 -6.87226069 -1.14815646 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56718-70-8 92515 170466737 F A 2,3-Epoxypropyl 4-(2-methoxyethyl)phenyl ether COCCc2ccc(OCC1CO1)cc2 Tox21_113752 -NCGC00166308-02 196712732 tox21-ror-cho-viability-p1 set2 1.1 2.1131682429 77.9588408171 1.9670195889 79.925860406 3.5117481694 0.9910872318 4E-10 3.93915733 3.73076219 -0.08427733 -1.05734729 -0.09665607 3.13540232 0.25884616 1.45614328 5.13649419 8.2229568 31.03423022 81.58428934 76.7736568 79.79336364 75.64775801 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 91296-86-5 56205 170465623 A Difloxacin hydrochloride Cl.CN1CCN(CC1)c2cc3N(C=C(C(=O)O)C(=O)c3cc2F)c4ccc(F)cc4 Tox21_112405_1 -NCGC00015429-14 196712733 tox21-ror-cho-viability-p1 set2 4 0.2113168243 -7.9270683 0 -7.9270683 4.9549173134 0.558695522 0.1444110757 3.73241071 -1.78212725 2.28774707 -2.5831352 0.29342181 -0.55074674 -2.29786261 -1.51948276 -10.16104636 -2.83244447 -10.46110746 -11.06830499 -11.60589025 -0.5648359 -1.02836823 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25451-15-4 3331 170465178 A Felbamate NC(=O)OCC(COC(N)=O)c1ccccc1 Tox21_110145_1 -NCGC00344566-01 196713131 tox21-ror-cho-viability-p1 set2 -2.4 33.4914596268 -34.52041654 1 -33.52041654 4.9549173134 0.9612277617 0.0000020709 -0.78552285 1.45919202 1.13876077 1.00877151 -0.83731171 2.79754578 2.65660538 -0.97451549 -1.06324582 0.03263872 2.45566561 -1.03316683 2.20793105 -0.93196724 -27.93368045 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 170729-80-3 60196364 170464796 F Aprepitant C[C@@H](O[C@H]2OCCN(CC1=NC(=O)N=N1)[C@H]2C3CCC(F)CC3)c4cc(cc(c4)C(F)(F)F)C(F)(F)F Tox21_113595_1 -NCGC00159511-04 196713552 tox21-ror-cho-viability-p1 set2 4 -1.50605608 -1.93922011 -2.13367608 -0.24401758 -1.7648038 -0.81583434 -1.25724884 -1.4445021 -1.29948083 0.47973107 0.84252282 -3.04563982 -1.41529377 1.61367964 -3.31081318 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 101828-21-1 2484 170465093 A Butenafine CN(Cc1ccc(cc1)C(C)(C)C)Cc3cccc2ccccc23 Tox21_111729_1 -NCGC00021145-11 196713555 tox21-ror-cho-viability-p1 set2 4 4.00816954 3.7624608 5.37881931 0.7554726 4.45789687 2.03021463 1.59087095 2.59276036 2.92791966 0.60541346 0.94245095 1.00800492 0.78773235 0.06365206 -0.19480963 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27833-64-3 71399 170465094 A Loxapine succinate O=C(O)CCC(=O)O.CN1CCN(CC1)C3=Nc4ccccc4Oc2ccc(Cl)cc23 Tox21_110311_1 -NCGC00254284-01 196698874 tox21-ror-cho-viability-p1 set1 4 -0.26033055 0.08116073 -1.97430149 0.54738435 0.9854586 -1.57606494 0.24700486 3.11639788 0.15290337 1.23255655 -1.10956562 -0.3491535 1.9789196 0.3917835 -0.37184297 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1843-05-6 15797 144210802 A A Octabenzone O=C(c1ccc(cc1O)OCCCCCCCC)c2ccccc2 Tox21_300484 -NCGC00179385-03 196698439 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -15.008467772 0.5 -14.508467772 4.9549173134 0.7979025892 0.0084780942 -1.70181966 0.23311055 4.26547803 1.61918622 1.31396957 -0.76050108 0.4364363 -0.4716188 0.47596627 0.13670091 -2.35969527 -0.57305223 -0.14037452 0.64861548 -12.09038981 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 22881-35-2 3326 170466076 A Famprofazone CC(Cc1ccccc1)N(C)CC3=C(C(=O)N(c2ccccc2)N3C)C(C)C Tox21_110600_1 -NCGC00183851-01 196698436 tox21-ror-cho-viability-p1 set1 4 1.28232232 -0.07665274 -1.7718977 0.8754588 -0.33951179 -0.36098818 -0.59167441 0.32368091 -1.12671444 2.1006924 -3.45283823 -1.87113354 -5.20070352 -3.73923934 0.56528667 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 3979-76-8 60196350 144206836 Z Fns Mebanazine NNC(C)c1ccccc1.O=S(=O)(O)O Tox21_113285 -NCGC00021761-05 196698445 tox21-ror-cho-viability-p1 set1 4 -1.12537572 0.77373345 -0.17550743 0.47255253 5.39611576 0.24631093 1.68680039 -0.01374735 -0.27076008 1.28806038 0.4493021 2.00508354 0.7343719 0.4952665 1.38292046 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2135-17-3 16490 170465750 A Flumethasone OCC(=O)[C@@]4(O)[C@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3C[C@H](F)C1=CC(=O)C=C[C@@]12C Tox21_110518_1 -NCGC00164449-04 196699271 tox21-ror-cho-viability-p1 set1 4 10.8707224818 6.038424408 -0.538424408 5.5 3.5117481694 0.6853185073 0.0461684467 0.99533005 -3.34108111 0.0944154 0.53543825 -3.78202034 -0.03210172 0.39978487 0.62082037 0.90017565 -0.09827436 -1.43156081 0.23258833 6.9871386 4.53551138 4.62819533 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00254536-01 196699273 tox21-ror-cho-viability-p1 set1 4 0.42331737 -3.08497706 0.97050972 -3.87544605 1.43874679 -2.82899423 -3.71537342 -0.71333278 -1.40767624 -1.52308333 2.15158631 -3.11012564 1.41710321 -1.61606715 1.41661757 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3855-32-1 77463 144210710 A Fc 2,6,10-Trimethyl-2,6,10-triazaundecane CN(C)CCCN(C)CCCN(C)C Tox21_300392 -NCGC00163818-04 196699274 tox21-ror-cho-viability-p1 set1 4 2.5953935548 -18.468838752 -1.5 -19.968838752 1.8616924601 0.9501142652 0.0000083378 -2.36940189 -3.66139507 0.14002327 -1.7773636 -2.51802643 -0.21271043 -2.0038218 0.97377156 -3.00244291 -9.80412322 -12.16206988 -18.77564822 -22.89069896 -17.14486583 -19.4814344 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00163906-02 196699286 tox21-ror-cho-viability-p1 set1 4 2.11172562 1.21986975 1.20677005 -0.78100372 -1.04600901 -5.64685287 1.53486408 0.51585196 -0.26296401 2.40820712 -0.61767694 1.17104195 0.38844947 1.18898317 5.04717656 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00254446-01 196699691 tox21-ror-cho-viability-p1 set1 4 -2.03776926 -6.36855677 -1.23950831 -2.05742871 -5.76211524 -5.65705636 -1.90771945 -1.50464676 -2.48158072 -2.78954987 -4.78792366 1.485394 -3.4591699 -2.95176788 -1.94486288 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-07-2 379 144210663 A A Octanoic acid O=C(O)CCCCCCC Tox21_300345 -NCGC00255036-01 196699693 tox21-ror-cho-viability-p1 set1 4 -0.89685654 -1.01539238 -1.58083984 -2.14815592 -1.53290403 -1.89214145 -2.9600331 -2.82396604 -0.61380589 -1.22665118 -0.5025173 -3.53464797 -0.6758174 -1.40175646 0.93711738 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-54-0 61018 144211455 A 3,5-Dimethyl-1-hexyn-3-ol CC(C)CC(C)(O)C#C Tox21_301138 -NCGC00254525-01 196699707 tox21-ror-cho-viability-p1 set1 4 61.130564862 7.865853704 -1.365853704 6.5 4.0449729863 0.3627744609 0.3118922268 4.48200701 -3.40847643 -3.89735411 -3.29795435 -2.20720948 -3.12347968 -0.35637397 0.60956788 0.01247438 0.25751624 -0.83807953 -4.88821142 -1.51228205 -0.07649364 5.23126877 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2385-85-5 16945 144210909 Mirex ClC53C1(Cl)C4(Cl)C2(Cl)C1(Cl)C(Cl)(Cl)C5(Cl)C2(Cl)C3(Cl)C4(Cl)Cl Tox21_300592 -NCGC00259802-01 196721743 tox21-ror-cho-viability-p1 set3 -2.4 35.5682439551 -27.2526826 -2 -29.2526826 1.24751 0.7526549014 0.0187157774 -4.9421032 -7.69839009 -7.49660781 -3.09032133 3.46584675 0.40316652 -1.31406728 -4.18810584 1.85947043 1.35670906 1.17069438 -9.84252827 -12.25044598 -14.26937941 -24.3772355 1.214E-9 2.7139999999E-9 6.0679999999E-9 1.357E-8 3.034E-8 6.7839999999E-8 1.517E-7 3.3919999999E-7 7.5849999999E-7 0.000001696 0.0000037919999999 0.00000848 0.00001896 0.000042399999999 0.00009481 136-35-6 8689 144209451 F F Diazoaminobenzene N(=N/Nc1ccccc1)\c2ccccc2 Tox21_202253 -NCGC00253929-01 196720881 tox21-ror-cho-viability-p1 set3 4 0.0343762429 13.679527672 -11.179527672 2.5 0.5999999999 0.8498527993 0.003534574 -8.15265817 -11.81627306 -5.8700381 -4.0630651 -7.24583023 -3.42244179 -1.2181499 0.85429718 0.83764205 2.51099846 -1.83522416 2.64400221 2.27105466 2.78706389 -2.61878627 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 186392-65-4 6451325 144210526 A A Ingliforib O[C@H]1CN(C[C@H]1O)C(=O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)c3cc4cc(Cl)ccc4n3 Tox21_300206 -NCGC00254368-01 196720894 tox21-ror-cho-viability-p1 set3 4 6.33298044 3.93875482 12.32200916 17.41723922 9.94823966 2.10941876 7.89106015 11.41915661 14.07760129 10.19857168 7.63204265 8.08903404 9.89825432 11.92429453 24.6141072 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 478149-53-0 9930121 144210766 A A PHA-00543613 O=C(N[C@H]2CN1CCC2CC1)c3cc4ccoc4cn3 Tox21_300448 -NCGC00254821-01 196720478 tox21-ror-cho-viability-p1 set3 4 10.14961118 15.21884192 4.41448334 9.64031043 0.6561729 5.6644811 0.48259818 13.50172743 -3.78096462 4.54474079 -3.19924544 1.50135695 9.94541064 3.44801178 2.57935389 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1582-09-8 5569 144211235 A A Trifluralin [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)C(F)(F)F Tox21_300918 -NCGC00254789-01 196720484 tox21-ror-cho-viability-p1 set3 4 0.216899429 -9.40601814 10.5 1.09398186 4.9549173134 0.5217616861 0.1593902942 6.46465952 7.52052829 15.84959419 11.1014496 13.37698429 6.36609923 10.42220526 -0.18330585 -0.45154321 13.47034915 -2.83834845 -1.01270667 -0.95802826 0.17682128 1.7874399 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10213-75-9 25053 144211202 A A 3-((2-Ethylhexyl)oxy)propionitrile CCCCC(COCCC#N)CC Tox21_300885 -NCGC00090858-02 196720900 tox21-ror-cho-viability-p1 set3 4 8.93479547 6.05682254 14.65204605 13.19267847 7.18594583 5.06931949 5.37540828 5.48203051 3.27352802 10.46611995 6.80930517 5.1369627 4.62641409 9.49753982 -1.30775798 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00258889-01 196721283 tox21-ror-cho-viability-p1 set3 4 38.6884823325 -10.110038352 2.5 -7.610038352 1.4163171 0.4442788055 0.2314729243 0.42598524 7.09495517 4.10355764 7.52481173 0.44780671 0.82244579 0.51449822 -0.05379714 3.03047724 2.08075455 1.87842491 4.2441842 -4.25571462 0.72038943 -7.17503196 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.613E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.00001848 0.00004133 0.00009242 120-51-4 2345 144208535 A A Benzyl benzoate O=C(OCc1ccccc1)c2ccccc2 Tox21_201337 -NCGC00259714-01 196721291 tox21-ror-cho-viability-p1 set3 -1.2 1.2209556171 -26.541284496 0.5 -26.041284496 0.6 0.8077343556 0.0067313688 0.2240431 -8.09219642 6.51857598 1.25687831 -2.20424662 -2.20038214 -9.43468124 -8.98328134 -7.40635344 -12.86745564 -20.3306232 -21.53041406 -20.33109193 -14.96166733 -30.86773708 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.954E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3839999999E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.0000923 13473-26-2 83511 144209363 AC Ac D&C Red 27 Brc4c5Oc1c(Br)c(O)c(Br)cc1C3(OC(=O)c2c3c(Cl)c(Cl)c(Cl)c2Cl)c5cc(Br)c4O Tox21_202165 -NCGC00090965-04 196721294 tox21-ror-cho-viability-p1 set3 4 0.52527178 -1.41021201 2.6537033 4.19220611 -3.81064019 4.67621612 -2.67178378 -1.20287431 -2.38121634 -0.50960986 0.84265757 -2.45936465 1.35100847 1.72803971 0.85072079 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00259039-01 196721679 tox21-ror-cho-viability-p1 set3 4 -7.37800729 -0.886021 -7.35868999 -7.58754954 2.59974086 0.64824124 -5.1537762 -1.10815282 -2.27975373 3.44452643 -3.00945527 -1.74272446 -2.35967981 -2.3854782 0.27076464 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 111-82-0 8139 144208686 AC Fns Methyl dodecanoate O=C(CCCCCCCCCCC)OC Tox21_201488 -NCGC00259545-01 196721683 tox21-ror-cho-viability-p1 set3 4 24.3612673097 11.614828012 -2.614828012 9 4.5044702849 0.602224228 0.1105031862 -4.38308761 1.81027299 1.5949262 -4.95276722 -4.44168032 -2.35061034 -5.09569001 -4.89120427 -4.85847804 -0.84082681 -3.90191657 -1.63013138 -0.17384372 7.803414 -2.09515516 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004125 0.00009223 53-43-0 5881 144209194 A A Dehydroepiandrosterone O=C4CC[C@@H]3[C@]4(C)CC[C@H]2[C@H]3CC=C1C[C@@H](O)CC[C@@]12C Tox21_201996 -NCGC00259252-01 196721690 tox21-ror-cho-viability-p1 set3 4 -4.63376729 0.54073911 -4.41442418 4.19576082 -1.63449453 -7.91828059 -4.59084217 -2.15075787 -3.3915183 -0.60451506 -3.48309062 -1.21689586 -2.36735813 -5.5846714 -14.61826975 1.163E-9 2.601E-9 5.8149999999E-9 1.2999999999E-8 2.908E-8 6.502E-8 1.454E-7 3.2509999999E-7 7.269E-7 0.000001625 0.000003634 0.000008127 0.00001817 0.00004063 0.00009086 86-74-8 6854 144208901 A A Carbazole c1cccc2nc3ccccc3c12 Tox21_201703 -NCGC00259099-01 196721691 tox21-ror-cho-viability-p1 set3 4 -7.0126332 -8.67902462 -0.7962961 4.74353002 -6.77232519 0.59994293 -7.24129932 -7.26931275 -7.43205167 6.09250007 -2.90436471 -1.13974674 -6.55563506 0.49005187 -0.68610633 1.173E-9 2.624E-9 5.867E-9 1.312E-8 2.934E-8 6.56E-8 1.4669999999E-7 3.28E-7 7.334E-7 0.0000016399999999 0.000003667 0.0000081989999999 0.00001833 0.000041 0.00009167 92-70-6 7104 144208748 A A 3-Hydroxy-2-naphthoic acid O=C(O)c1cc2ccccc2cc1O Tox21_201550 -NCGC00091902-08 196711558 tox21-ror-cho-viability-p1 set2 -2.2 48.5577336745 -36.090523876 -2.5 -38.590523876 2.7202212143 0.9100834367 0.00018883 -1.56926941 -1.75214288 -1.21592308 -4.55931882 -2.79893095 0.02449088 -5.71232281 -8.29963145 -4.39168908 -1.61658953 0.41358869 -1.1481193 0 -17.43449124 -32.99210323 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00356984-01 196711562 tox21-ror-cho-viability-p1 set2 -1.1 11.8832183006 -92.7172577392 0.1587847769 -92.5584729623 1.92824246 0.9822942847 2.34E-8 0.10217039 -0.78264783 2.70986245 1.35334826 -0.88030191 0.42015325 2.19326191 0.94408665 0.59936749 2.10018901 -9.24325582 -16.05717848 -26.47585951 -73.42486602 -85.70228978 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 18015-76-4 9888276 251919880 F C.I. Basic Green 4 oxalate (1:x) C/[N+](C)=C1/C=C/C(C=C1)=C(/c2ccccc2)c3ccc(cc3)N(C)C.[O-]C(=O)C(=O)O Tox21_303916 -NCGC00260084-01 196711555 tox21-ror-cho-viability-p1 set2 4 23.7535532431 19.39007246 -2.89007246 16.5 4.4494702849 0.4705409635 0.2050727819 -2.07804377 -0.08812453 -0.95767585 -2.67680274 -0.79008517 -1.16157608 -1.73295109 -8.87441564 -1.03356166 -2.96842679 3.59412673 -0.93703571 -19.49172705 5.20037059 15.4146543 5.908E-10 1.3209999999E-9 2.954E-9 6.6049999999E-9 1.477E-8 3.303E-8 7.3849999999E-8 1.651E-7 3.693E-7 8.257E-7 0.000001846 0.000004128 0.000009231 0.00002064 0.000046159999999 361-09-1 23668194 144209733 A A Sodium cholate [Na+].[O-]C(=O)CC[C@@H](C)[C@H]2CC[C@H]1[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]12C Tox21_202535 -NCGC00260205-01 196711560 tox21-ror-cho-viability-p1 set2 2.4 68.8687250228 26.11556898 1.88443102 28 0.8999999999 0.7662207502 0.015091229 0.00897467 2.22219222 0.33713228 0.55154372 -0.51297415 1.87867522 5.50517765 3.34595148 2.65301873 4.97706345 7.49582663 3.03951543 5.40414387 8.29906192 21.57381445 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.324E-8 2.96E-8 6.618E-8 1.4799999999E-7 3.309E-7 7.399E-7 0.0000016539999999 0.0000037 0.000008272 0.0000185 0.00004136 0.000092489999999 79917-89-8 60196378 144209855 F F 1-Methyl-3-propylimidazolium chloride Cl.CCCN1C=CN(C)C1 Tox21_202657 -NCGC00260045-01 196711979 tox21-ror-cho-viability-p1 set2 2.4 67.9623322576 28.12080222 1.87919778 30 0.7999999999 0.7745537524 0.0130535724 -0.10341291 -0.93400185 0.9036328 3.70070481 0.35906994 7.21491169 5.26571505 0.56734671 3.48210721 3.79107553 3.83577095 6.62153411 6.71111231 9.38495703 22.47020281 1.171E-9 2.618E-9 5.8529999999E-9 1.3089999999E-8 2.927E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.317E-7 0.0000016359999999 0.000003658 0.0000081809999999 0.00001829 0.0000409 0.00009146 NOCAS_24824 5284361 144209694 F F Chlorinated paraffins:C12, 60% chlorine ClC(CC(Cl)C(Cl)CCC(Cl)CC)C(Cl)C(Cl)CCl Tox21_202496 -NCGC00260260-01 196712379 tox21-ror-cho-viability-p1 set2 -1.1 19.4491948283 -98.1631519561 1.608566305 -96.5545856511 1.92824246 0.9752563055 1.616E-7 5.1100363 -2.58282378 5.34061024 -2.41982396 5.49438672 0.33242822 5.16217265 0.49350271 -1.78362414 0.86642908 3.5440769 -23.4906845 -37.1430123 -85.24956673 -88.41995023 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.6299999999E-8 1.4829999999E-7 3.315E-7 7.4129999999E-7 0.0000016579999999 0.0000037059999999 0.000008288 0.00001853 0.000041439999999 0.00009266 NOCAS_49391 60196397 144209910 A A Tributyltetradecylphosphonium dodecylbenzenesulfonate O=S([O-])(=O)c1ccccc1CCCCCCCCCCCC.CCCC[P+](CCCC)(CCCC)CCCCCCCCCCCCCC Tox21_202712 -NCGC00357185-01 196712393 tox21-ror-cho-viability-p1 set2 2.4 19.3311819617 21.450328256 0.549671744 22 0.3 0.6811140623 0.0473520257 3.08174068 -1.20860688 -0.18246315 5.29679346 1.0537012 9.19559851 5.07295893 6.29642407 9.50250855 6.02281416 7.67146093 6.08208835 8.87328377 12.63823727 17.56217215 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 626-39-1 12279 251919928 Ac 1,3,5-Tribromobenzene Brc1cc(Br)cc(Br)c1 Tox21_303951 -NCGC00179665-04 196712789 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -16.359299616 1.5 -14.859299616 4.9549173134 0.9269870181 0.0000657695 0.76401389 1.36695278 1.29631192 2.8114235 2.06305543 1.88920679 3.19401194 2.51289565 0.75972581 2.40246008 0.78796826 -0.66275944 1.73198215 1.10836443 -12.38274968 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17230-88-5 28417 170464884 A Danazol C#C[C@]3(O)CC[C@H]2[C@@H]4CCC1=Cc5oncc5C[C@]1(C)[C@H]4CC[C@@]23C Tox21_112114_1 -NCGC00253621-01 196712793 tox21-ror-cho-viability-p1 set2 4 -1.79050796 4.54667375 -2.09899115 3.83054737 -0.96274253 -1.28068931 -1.07301035 -1.74508635 -1.76697584 3.11659291 1.32002683 2.29424375 1.84709161 0.49396441 0.98188952 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94158-44-8 56738 170466672 F Ac 1,1-Dimethoxy-2-(2-methoxyethoxy)ethane COC(COCCOC)OC Tox21_113751 -NCGC00179351-03 196712797 tox21-ror-cho-viability-p1 set2 4 16.7854920005 8.5057259519 -0.5057259519 8 1.4163171 0.7164608009 0.0322150147 2.51165484 -0.03380145 -1.59751304 -3.33810496 -0.13992728 -0.67834863 -0.29109364 -1.33083622 -1.02780912 -1.00940556 -0.13710911 0.41728134 3.47117005 2.39584527 7.47990323 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 73-49-4 6307 170465167 A Quinethazone NS(=O)(=O)c1cc2C(=O)NC(Nc2cc1Cl)CC Tox21_110366_1 -NCGC00182982-01 196712801 tox21-ror-cho-viability-p1 set2 4 0.61175269 3.32942751 0.80377314 2.06470858 -1.35261724 2.54787455 -0.00741493 0.72059756 3.50187209 0.16707083 0.59756587 0.85380075 2.76052165 2.29688811 6.29261627 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 120958-90-9 129319 144206834 A A Dalcotidine CCNC(=O)NCCCOc2cc(CN1CCCCC1)ccc2 Tox21_113283 -NCGC00255199-01 196710251 tox21-ror-cho-viability-p1 set2 -1.1 21.6899429044 -74.63980112 -4.55206138 -79.1918625 1.78848746 0.9950862741 0 -5.28072206 -6.68136338 -3.35590303 -6.28694327 -1.99690869 -3.48100404 -5.82840935 -4.40229584 -1.09339955 -6.2768787 -8.40360407 -15.98714124 -35.74353119 -62.29210907 -73.49321875 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6051-87-2 2361 144212341 A A 5,6-Benzoflavone O=C3C=C(Oc2ccc1ccccc1c23)c4ccccc4 Tox21_302024 -NCGC00090952-07 196709849 tox21-ror-cho-viability-p1 set2 4 1.69407455 -0.61099548 0.58324068 -1.34574206 2.32419541 -2.05138394 -1.98579455 1.31920149 -1.09578605 -1.71599759 4.26205333 0.6865685 1.02004136 -0.73469296 -0.46200482 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00256235-01 196710255 tox21-ror-cho-viability-p1 set2 4 2.7936486 6.01128 3.83609124 0.65774081 2.29150161 -0.3124044 0.32922326 0.60370526 0.53476651 -0.35109983 1.24718489 -0.29849101 0.65315178 0.45966987 5.24576576 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3698-89-3 77287 144211582 Ac Fns 1-(Methylsulfanyl)dodecane CSCCCCCCCCCCCC Tox21_301265 -NCGC00256132-01 196710256 tox21-ror-cho-viability-p1 set2 4 -2.40900591 1.87758421 1.9273374 3.73837314 0.30850434 0.30516562 1.66822362 2.78704949 2.50484948 -0.50539998 0.61407837 1.49454051 1.30402136 -0.43490876 0.88707576 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3445-11-2 76980 144212017 A A 1-(2-Hydroxyethyl)pyrrolidin-2-one O=C1CCCN1CCO Tox21_301700 -NCGC00255361-01 196710666 tox21-ror-cho-viability-p1 set2 4 3.51784884 4.8456505 -0.18560555 4.2373096 4.49882775 4.4906777 0.15718328 1.70015675 0.61171867 4.06655621 1.00880356 1.36613724 1.35732033 1.15575283 8.74967565 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81405-85-8 54744 144212535 A A Imazamethabenz O=C1N=C(NC1(C)C(C)C)c2cc(C)ccc2C(=O)OC Tox21_302218 -NCGC00255570-01 196710668 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -14.049479688 1 -13.049479688 4.9549173134 0.8425020783 0.0029094109 0.21044982 0.31972415 0.67577312 0.12749604 2.42781438 2.67489701 1.73830474 0.8878841 2.55846415 2.65641856 -1.28162226 2.08804286 0.98289259 0.43256404 -9.20789974 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33228-45-4 36382 144212329 A A 4-Hexylaniline Nc1ccc(CCCCCC)cc1 Tox21_302012 -NCGC00256286-01 196710677 tox21-ror-cho-viability-p1 set2 4 1.8885273 1.82395009 1.42715605 3.2007953 3.9541161 -0.13804325 0.82119015 -0.15338004 -2.64317404 -0.05939577 -0.2075762 0.18784576 0.54574606 3.38080722 4.43835501 1.195E-9 2.672E-9 5.975E-9 1.336E-8 2.988E-8 6.6809999999E-8 1.494E-7 3.34E-7 7.469E-7 0.0000016699999999 0.000003735 0.000008351 0.00001867 0.00004175 0.00009336 142-64-3 8893 144212660 A A Piperazine dihydrochloride Cl.Cl.C1CNCCN1 Tox21_302343 -NCGC00255864-01 196711081 tox21-ror-cho-viability-p1 set2 -2.1 61.130564862 -109.0316874784 2.1108179179 -106.9208695605 3.2974983358 0.995191414 0 3.10823524 0.72197865 -0.48888113 3.85775471 2.70074159 1.95544748 1.55682022 3.9617332 3.97885345 4.43615766 2.33903406 2.35871763 -2.93554143 -20.97428253 -84.45566316 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1155-74-4 62379 144211556 A A Tetradecylpyridinium bromide [Br-].CCCCCCCCCCCCCC[n+]1ccccc1 Tox21_301239 -NCGC00255970-01 196711096 tox21-ror-cho-viability-p1 set2 4 0.7939929 8.16582617 5.25424783 3.54706445 3.67579104 5.00083623 0.78321932 0.97325902 -0.14572192 4.50472861 -0.4807117 -0.29502868 3.50617487 -0.50852857 4.23404824 1.026E-9 2.295E-9 5.132E-9 1.148E-8 2.5659999999E-8 5.7379999999E-8 1.283E-7 2.8689999999E-7 6.4149999999E-7 0.000001434 0.0000032069999999 0.0000071719999999 0.00001604 0.00003586 0.00008018 630-60-4 439501 144211864 A A Ouabain O=C1C=C(CO1)[C@H]2CC[C@]3(O)[C@@H]4CC[C@]5(O)C[C@H](C[C@@H](O)[C@]5(CO)[C@H]4[C@H](O)C[C@]23C)O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O Tox21_301547 -NCGC00255372-01 196710283 tox21-ror-cho-viability-p1 set2 4 2.17532768 -0.37799978 -1.85772643 -0.34532954 -2.4292816 -1.22017966 -2.91007347 -0.08060972 -2.65703422 -1.92397561 0.1453466 2.83344833 -0.5692451 2.90749239 2.16408745 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 813-78-5 13134 144211728 F Bc Dimethyl phosphate O=P(O)(OC)OC Tox21_301411 -NCGC00256206-01 196709852 tox21-ror-cho-viability-p1 set2 4 6.91944876 0.48233377 2.18885777 1.8494621 1.80821437 2.77798365 0.41775812 1.3732241 0.78643712 3.00717753 0.366776 2.64514321 -0.71707457 5.58516287 1.3955434 1.009E-9 2.2549999999E-9 5.0429999999E-9 1.1279999999E-8 2.5219999999E-8 5.639E-8 1.2609999999E-7 2.8189999999E-7 6.3039999999E-7 0.0000014099999999 0.000003152 0.000007048 0.000015759999999 0.00003524 0.000078799999999 39430-51-8 11284883 144211719 Ac Chromium acetate, basic O=C(C)O[Cr](OC(C)=O)OC(=O)C.CC(=O)O[Cr](O)OC(C)=O.CC(=O)O[Cr](O)OC(C)=O Tox21_301402 -NCGC00255981-01 196709857 tox21-ror-cho-viability-p1 set2 4 2.67879384 -0.47326874 -0.65341686 0.16356727 -2.35954794 0.22876977 0.11042244 -0.24705898 -1.15846844 -1.16218007 1.81181669 -0.2589176 3.21654405 3.68687043 4.21236289 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 705-86-2 12810 144212195 A F 6-Pentyltetrahydro-2H-pyran-2-one O=C1CCCC(CCCCC)O1 Tox21_301878 -NCGC00255585-01 196709871 tox21-ror-cho-viability-p1 set2 4 4.03094485 1.91820002 -0.96757183 -0.15600596 0.13241321 -0.37516174 -2.02279963 4.1304245 1.27785275 0.41377082 0.37328986 3.0532599 -1.93970667 0.38803425 1.9214313 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1193-18-6 14511 144212353 A F 3-Methyl-2-cyclohexen-1-one CC=1CCCC(=O)C=1 Tox21_302036 -NCGC00255601-01 196701352 tox21-ror-cho-viability-p1 set1 4 1.82418777 0.20698814 -0.0316269 1.7487312 -0.19980276 0.41834537 0.88998722 -0.86989107 -0.33406005 9.29210897 1.9337257 -0.19563888 2.31722645 1.4015606 2.10917918 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2433-14-9 75518 144212080 A A 4-Cyclohexylcyclohexanol OC1CCC(CC1)C2CCCCC2 Tox21_301763 -NCGC00255232-01 196700532 tox21-ror-cho-viability-p1 set1 -2.2 20.0606027227 -57.3810799888 -1.160583244 -58.5416632328 2.4063783767 0.9607083903 0.0000022196 -2.3510672 -2.85260043 2.20285862 -4.53725389 -0.08453309 3.0894209 -2.08966187 -2.20371059 -4.23973451 -0.0373994 0.19170959 -6.78254162 -3.20838538 -28.40135369 -48.51641154 5.1319999999E-10 1.148E-9 2.566E-9 5.738E-9 1.2829999999E-8 2.8689999999E-8 6.415E-8 1.434E-7 3.2069999999E-7 7.1719999999E-7 0.000001604 0.0000035859999999 0.000008018 0.00001793 0.00004009 59865-13-3 5284373 144212166 F Cyclosporin A C[C@H](C\C=C\C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C)C(C)C Tox21_301849 -NCGC00256102-01 196700541 tox21-ror-cho-viability-p1 set1 4 15.3553036427 -12.6050419 -1.5 -14.1050419 4.9549173134 0.7379891372 0.0233959577 0.03040138 -3.5123879 -5.75478945 0.45405996 0.0529256 1.81547443 1.66145995 -6.11996593 -2.77845727 -5.95233898 -0.77837618 0.92358433 -10.31244143 -15.92086825 -12.47287926 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-96-8 66793 144211913 A A 4-Methoxy-2-nitroaniline COc1ccc(N)c(c1)[N+]([O-])=O Tox21_301596 -NCGC00255732-01 196700949 tox21-ror-cho-viability-p1 set1 4 1.3685428777 16.432888128 -10.432888128 6 0.2 0.538025501 0.146579354 -6.87725269 -8.48619482 -8.69407344 -4.5523811 -4.34851832 -3.88066603 1.2698261 -5.1114746 -7.58067826 -0.84856771 -5.64164302 1.32219614 0.80542599 3.69072197 -0.30308662 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 138-22-7 8738 144211666 A A Butyl lactate OC(C)C(=O)OCCCC Tox21_301349 -NCGC00255318-01 196701355 tox21-ror-cho-viability-p1 set1 4 2.16066176 3.85465259 2.64120166 1.50320765 2.1681051 0.02421285 -7.99294733 -1.10403602 -1.34606777 3.78642583 2.69368915 0.9804885 2.27971194 -0.27569215 0.60768817 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2244-21-5 23665761 144212740 Potassium dichloroisocyanurate [K+].ClN1C([O-])=NC(=O)N(Cl)C1=O Tox21_302423 -NCGC00249933-01 196722953 tox21-ror-cho-viability-p1 set3 4 0.0016785492 -15.5885176639 12 -3.5885176639 0.6999999999 0.3723820036 0.2986613509 9.33663345 4.93399298 0.66723245 -2.44195548 0.71334601 1.10498059 -3.48483781 6.16157228 -5.31427223 -7.24866342 -6.06486253 -8.82376472 -7.66387456 -4.59445865 7.08668452 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 126-85-2 9335 170465894 F Fns Nitrogen mustard N-oxide [O-][N+](C)(CCCl)CCCl Tox21_113709 -NCGC00262921-01 196722543 tox21-ror-cho-viability-p1 set3 4 5.82605013 -4.82104075 -2.46545132 -3.30853869 1.64981365 -1.26944749 6.58866633 8.40986602 -12.53606761 -5.02167233 0.38278148 -5.12096252 -5.42477945 3.02634923 4.9298969 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 147086-81-5 60924 170466667 F F (4S,6s)-5,6-dihydro-6-methyl-4h-thieno[2,3-b]thiopyran-4-ol 7,7-dioxide O[C@H]2C[C@H](C)S(=O)(=O)c1sccc12 Tox21_113917 -NCGC00253709-01 196722552 tox21-ror-cho-viability-p1 set3 2.2 26.6032120037 44.2552835579 2.5 46.7552835579 1.0999999999 0.8771512575 0.0008842533 3.90537859 0.0300895 0.82263343 1.81892371 0.7601679 0.30867959 0.179538 4.71088497 3.47789422 9.4641636 10.44485987 8.81137152 9.09344008 17.592889 35.42155885 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 39512-49-7 38282 170466687 A A 4-(4-Chlorophenyl)-4-piperidinol OC1(CCNCC1)c2ccc(Cl)cc2 Tox21_113829 -NCGC00024777-04 196722556 tox21-ror-cho-viability-p1 set3 4 0.3463908 -1.34542209 -1.0569838 1.46001345 -0.36013596 -10.96540636 -18.4420414 0 2.19998071 -2.94400399 -4.13290549 -6.13703431 -7.01056656 -4.19247094 -6.67588172 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 156727-74-1 123924 170466880 A SNC 80 CCN(CC)C(=O)c1ccc(cc1)[C@H](c2cc(OC)ccc2)N3C[C@@H](C)N(C[C@@H]3C)CC=C Tox21_110925_1 -NCGC00178638-02 196722965 tox21-ror-cho-viability-p1 set3 4 21.1316824289 11.3444280759 -2.8444280759 8.5 3.9899729863 0.4511006784 0.2242862925 -1.97805569 -7.95559445 -2.63901638 0.59774884 -0.97806934 -1.00827975 0.63831816 -1.54745905 -11.12035673 -1.54823405 -1.40318863 -1.47946294 -7.08066377 2.54656666 7.98265913 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 124832-27-5 60772 170465373 D Valaciclovir Cl.CC(C)[C@H](N)C(=O)OCCOCn2cnc1c2N=C(N)NC1=O Tox21_111738_1 -NCGC00164578-02 196722977 tox21-ror-cho-viability-p1 set3 4 -3.7113005 -4.07584661 -2.63984565 -3.34983501 -2.20865346 -1.32793617 -4.11274255 -7.93492369 4.62207119 -3.46369923 0.67151503 -2.22441719 -8.61506706 -7.06050068 5.02988026 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 202409-33-4 123619 170465621 A Etoricoxib CS(=O)(=O)c1ccc(cc1)c3cc(Cl)cnc3c2cnc(C)cc2 Tox21_112206_1 -NCGC00257061-01 196719232 tox21-ror-cho-viability-p1 set2 4 -0.08166901 0.54108446 1.87974015 2.59973921 2.81398147 0.15844675 -0.13895654 -2.60932629 -0.10033284 -8.72047111 4.70533928 -3.29441716 -2.21975157 0.89345569 4.74833244 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 464-49-3 159055 144213369 A A D-Camphor CC2(C)[C@H]1CC(=O)[C@]2(C)CC1 Tox21_303052 -NCGC00167467-03 196722922 tox21-ror-cho-viability-p1 set3 4 0.2984929481 -6.26404992 -1 -7.26404992 4.9549173134 0.7751757991 0.0175752106 -2.53477397 -1.37088811 -1.18356744 -2.72601051 -3.19926616 1.5882953 0.23818243 0.4029798 -6.44383012 -8.02698367 -4.97592078 -8.9700416 -8.66397176 -5.56342948 10.62164105 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50700-72-6 39764 170465295 A Vecuronium bromide [Br-].C[N+]1(CCCCC1)[C@H]6C[C@@H]5[C@](C)(CC[C@H]2[C@H]5CC[C@H]3C[C@H](OC(C)=O)[C@H](C[C@]23C)N4CCCCC4)[C@H]6OC(C)=O Tox21_112471_1 -NCGC00090858-02 196722925 tox21-ror-cho-viability-p1 set3 4 0.3437624285 -6.6876878679 3 -3.6876878679 3.1319983358 0.4465549392 0.2454528741 -1.2139983 3.09112328 4.67944865 -0.18564228 4.80989308 5.98804526 1.68054735 2.53267781 -9.73973989 2.22939587 -3.42479859 -8.20215618 -1.43563199 -1.77242886 4.84670615 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00166024-02 196697385 tox21-ror-cho-viability-p1 set1 4 -1.70500349 1.94847092 0.73002979 0.38603259 -4.25120193 0.78776881 0.08727949 -1.16896578 -1.59890529 -4.31553212 1.43732249 0.58982173 -0.09511073 0.21770821 -4.03213146 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 143-27-1 8926 170466140 Z Hexadecylamine CCCCCCCCCCCCCCCCN Tox21_112293_1 -NCGC00090942-03 196697331 tox21-ror-cho-viability-p1 set1 -2.1 48.5577336745 -99.036691097 0.06703358 -98.969657517 3.0654483358 0.9981955904 0 0.36136704 -0.51103381 -0.47109297 -0.81376723 1.17796327 -0.6923771 0.8247284 1.24796212 2.51417515 -0.92156985 0.26966837 -1.66831802 -4.78687326 -36.84080354 -86.81548905 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00094817-05 196697375 tox21-ror-cho-viability-p1 set1 4 0.28289183 1.60241485 -1.52569303 -0.30539846 0.28268111 7.8390009 -0.19827398 -1.47737573 -0.99299234 0.60961771 1.21231826 -0.49128193 -5.06348741 -0.14751547 -0.40504981 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2295-58-1 3362 170465817 A Flopropione O=C(CC)c1c(O)cc(O)cc1O Tox21_111340_1 -NCGC00018277-06 196697423 tox21-ror-cho-viability-p1 set1 4 -0.18954057 0.92258723 -1.09367274 1.37090886 -0.09406505 0.39835912 3.64176042 2.49144123 1.98213361 0.1078892 -0.20723156 -3.13540944 -0.96469662 1.63866454 -0.03398652 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2753-45-9 17683 170466168 A Mebeverine hydrochloride Cl.COc1cc(ccc1OC)C(=O)OCCCCN(CC)C(C)Cc2ccc(OC)cc2 Tox21_110527_1 -NCGC00090776-02 196697429 tox21-ror-cho-viability-p1 set1 4 1.7805611 0.71300027 -0.07771845 2.23473023 2.09285005 2.06717745 2.04086697 4.78854394 0.33317323 1.80459463 2.59432521 0.17352423 3.48670537 0.57672028 -0.59341083 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00160655-03 196697482 tox21-ror-cho-viability-p1 set1 -2.2 13.3331902297 -49.5608169764 -1.561629403 -51.1224463794 1.5094870999 0.9602845542 0.000002356 -0.80366908 -2.23458538 0.01570667 0.07777411 -1.51411103 -1.36076703 0.49624856 -1.62402135 -5.48143883 -0.68478961 -7.00541966 -13.33633216 -14.58086674 -32.70506528 -50.12004547 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3810-35-3 19646 170466466 A Tenonitrozole O=C(Nc1ncc(s1)[N+]([O-])=O)c2cccs2 Tox21_111962_1 -NCGC00092384-03 196697495 tox21-ror-cho-viability-p1 set1 4 5.43146037 6.93149338 4.23457038 1.76791378 4.29498881 4.6567614 3.11224372 0.19134571 2.19860748 1.32307222 -0.17418661 6.42466688 6.73043804 -4.06287002 2.16770172 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57653-26-6 162834 170466272 A Fenobam O=C2N=C(NC(=O)Nc1cccc(Cl)c1)N(C)C2 Tox21_112624_1 -NCGC00160452-02 196697502 tox21-ror-cho-viability-p1 set1 4 -3.37360646 1.23078992 -0.44012489 0.32952855 -4.27715073 1.21994227 -4.87254337 -0.91407292 -4.47793638 0.21232396 -3.52296084 1.11775574 -0.44520963 1.22431626 -0.51010021 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 42779-82-8 39299 170466360 B Clopirac O=C(O)Cc2cc(C)n(c1ccc(Cl)cc1)c2C Tox21_111822_1 -NCGC00274066-01 196697528 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -17.1449007 1 -16.1449007 4.9549173134 0.7051051677 0.0361521374 -0.46664711 2.76476579 -1.97324077 -0.55748714 5.68603834 0.2910944 -0.00078212 4.2354717 -4.32743753 0.0727587 1.11873897 0.69582749 0.60743379 1.67911725 -14.28741725 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 518048-05-0 54671008 170466888 A Raltegravir Cc1nnc(o1)C(=O)NC(C)(C)C3=NC(C(=O)NCc2ccc(F)cc2)=C(O)C(=O)N3C Tox21_113019_1 -NCGC00182992-01 196697535 tox21-ror-cho-viability-p1 set1 4 -5.15443397 -0.13779815 -0.43076612 0.64991809 -1.91865572 -2.6872062 0.12807404 0.07751926 -3.17884723 0.02494354 -1.80828392 -0.23627768 -1.15760102 1.5905427 -0.2055643 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 110958-19-5 198695 144206891 A A Fasoracetam O=C([C@H]1CCC(=O)N1)N2CCCCC2 Tox21_113340 -NCGC00257969-01 196716573 tox21-ror-cho-viability-p1 set2 4 6.63824632 2.51886712 0.05677005 -3.74944978 0.99314342 4.87453968 0.45699393 5.51508523 0.98774814 2.03296305 -3.46416011 3.93318478 1.90605595 3.51704174 0.39508414 1.2049999999E-9 2.695E-9 6.027E-9 1.348E-8 3.013E-8 6.738E-8 1.507E-7 3.3689999999E-7 7.534E-7 0.000001685 0.0000037669999999 0.000008423 0.000018829999999 0.000042109999999 0.00009417 868-77-9 13360 144207613 A A 2-Hydroxyethyl methacrylate C=C(C)C(=O)OCCO Tox21_200415 -NCGC00258146-01 196716168 tox21-ror-cho-viability-p1 set2 4 38.7277300935 -21.2667049039 0.5 -20.7667049039 0.6999999999 0.879546904 0.0008126199 2.80925928 0.27201056 0.39523281 -0.254544 0.10551602 -0.24438267 -0.18604742 -0.09346196 -0.05875594 -3.23187161 -3.83244294 -5.18156446 -6.49889348 -6.68333797 -17.30558742 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.309E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008272 0.0000185 0.00004136 0.00009248 244193-56-4 11461044 144207790 D 1-Decyl-3-methylimidazolium tetrafluoroborate F[B-](F)(F)F.C[n+]1ccn(CCCCCCCCCC)c1 Tox21_200592 -NCGC00258731-01 196716562 tox21-ror-cho-viability-p1 set2 4 5.08080305 1.32583761 5.70904765 1.78870091 0.29734431 2.75496927 -0.00515245 2.55622627 4.0777175 -0.46202008 0.77429978 -1.05697423 1.4192778 0.96779173 1.73227602 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.629E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008287 0.00001853 0.000041429999999 0.00009265 108-30-5 7922 144208377 A B Succinic anhydride O=C1CCC(=O)O1 Tox21_201179 -NCGC00257934-01 196716563 tox21-ror-cho-viability-p1 set2 4 -0.22369536 -1.8124267 -1.05650654 0.9071499 0.71271832 -0.75227006 -1.42044473 1.53178242 -1.73148492 -3.30943929 -2.84340681 1.55797177 1.18105545 2.799729 2.81877722 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.53E-8 1.4599999999E-7 3.265E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.000008162 0.00001825 0.00004081 0.00009125 95-68-1 7250 144207578 A A 2,4-Dimethylaniline Cc1ccc(N)c(C)c1 Tox21_200380 -NCGC00258243-01 196716578 tox21-ror-cho-viability-p1 set2 4 34.1316760177 -22.49515414 -4.165228288 -26.660382428 0.7999999999 0.6326362103 0.0749236832 -0.13769024 -6.49824786 -1.76312393 -8.20178853 -13.07808313 -1.13909401 -6.51568009 -6.67951493 -1.7199694 -8.09820432 -8.45019375 -8.12727364 -8.74619449 -18.93753779 -20.55031869 1.173E-9 2.6229999999E-9 5.865E-9 1.312E-8 2.933E-8 6.558E-8 1.466E-7 3.279E-7 7.3319999999E-7 0.0000016389999999 0.0000036659999999 0.000008197 0.00001833 0.00004098 0.00009165 58-22-0 6013 144207887 A A Testosterone O=C4CC[C@@]3(C)C(CC[C@@H]1[C@@H]3CC[C@]2(C)[C@@H](O)CC[C@@H]12)=C4 Tox21_200689 -NCGC00257986-01 196716580 tox21-ror-cho-viability-p1 set2 4 3.98634174 2.481444 2.78086466 2.48599865 2.3325707 1.15726276 0.65099584 0.23466719 2.0468204 0.48651226 -1.66343291 0.11528369 1.95241736 0.26034994 0.18266142 1.202E-9 2.688E-9 6.01E-9 1.344E-8 3.005E-8 6.719E-8 1.503E-7 3.36E-7 7.5129999999E-7 0.0000016799999999 0.0000037559999999 0.0000083989999999 0.00001878 0.000042 0.000093909999999 101-63-3 7568 144207630 A A 1,1'-Oxybis(4-nitrobenzene) [O-][N+](=O)c1ccc(cc1)Oc2ccc(cc2)[N+]([O-])=O Tox21_200432 -NCGC00091902-08 196716980 tox21-ror-cho-viability-p1 set2 4 -0.51306343 -0.46596331 3.46228399 5.0684421 5.10338495 7.53504784 5.9764892 7.13449825 1.30984243 1.96316942 4.41729772 0.7029141 0.47010498 0.47483413 -1.58550059 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00254571-01 196714508 tox21-ror-cho-viability-p1 set2 4 0.0265707449 10.137556344 -10.644446056 -0.506889712 0.2 0.3074433864 0.3646131058 -4.65537319 -11.78703838 -5.41481743 -9.34177008 -2.85132179 -1.81560852 -6.31893142 -4.19428263 -6.36279896 -3.11149409 -2.86536481 -4.89897506 -5.84072942 -0.83907476 -1.1379799 5.8929999999E-10 1.3179999999E-9 2.9459999999E-9 6.588E-9 1.4729999999E-8 3.2939999999E-8 7.366E-8 1.647E-7 3.683E-7 8.2349999999E-7 0.0000018409999999 0.000004118 0.000009207 0.000020589999999 0.00004604 56-38-2 991 144210980 A Ac Parathion S=P(Oc1ccc(cc1)[N+]([O-])=O)(OCC)OCC Tox21_300663 -NCGC00254039-01 196714099 tox21-ror-cho-viability-p1 set2 4 2.51926643 1.79581213 0.68022838 2.28387224 1.57653092 0.34574638 1.54309273 -7.40831726 1.86370633 -0.24363627 0.12631221 0.43929177 0.53829268 -4.88469173 1.79138266 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-09-8 4764 144210602 A A Phenolphthalein Oc1ccc(cc1)C3(OC(=O)c2ccccc23)c4ccc(O)cc4 Tox21_300282 -NCGC00254048-01 196714108 tox21-ror-cho-viability-p1 set2 4 6.8589621897 -15.0548899679 1 -14.0548899679 0.8999999999 0.814734639 0.0057861474 -0.33300115 1.02179678 2.1261532 1.10450896 0.15600593 2.15962602 1.20657579 0.43753474 -6.31151344 0.67367811 -3.86846314 -8.11243298 -7.41092504 -16.29574164 -10.25952715 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 127-51-5 5372174 144210472 B Ac alpha-Isomethylionone CC1(C)CCC=C(C)C1\C=C(/C)C(C)=O Tox21_300152 -NCGC00254316-01 196714112 tox21-ror-cho-viability-p1 set2 4 -2.85357184 -6.05962511 -3.61895538 -7.23882276 -6.32323799 -5.58488169 -10.35562622 -6.52314881 -0.35204395 -1.16560695 -2.64658681 -1.17411233 -3.38607952 -9.82088903 -2.49240911 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2058-94-8 77222 144210923 Perfluoroundecanoic acid FC(F)(C(F)(F)C(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300606 -NCGC00254207-01 196714509 tox21-ror-cho-viability-p1 set2 4 1.02454388 3.00531547 -0.84091392 0.35506481 1.48484378 0.83744351 0.0951398 -1.45291259 2.19445622 0.09415136 0.18805362 2.59584583 2.97644109 1.97702494 1.48831453 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-76-1 5541 144210431 A A Triacetin O=C(C)OC(COC(C)=O)COC(=O)C Tox21_300111 -NCGC00357255-01 196712368 tox21-ror-cho-viability-p1 set2 2.4 38.5707788719 26.3687191399 -0.3687191399 26 0.7 0.7593426892 0.0168614444 -0.25675352 -0.95178826 -2.80726595 0.85666441 -1.28720591 -1.8970645 -0.22836935 8.82020808 0.09688734 1.62280523 1.58408005 10.11556751 9.60264651 8.20582259 20.27913899 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84-58-2 91759534 251919956 2,3-Dichloro-5,6-dicyano-p-benzoquinone ClC=1C(=O)C(C#C)=C(C#C)C(=O)C=1Cl Tox21_304048 -NCGC00090885-03 196712356 tox21-ror-cho-viability-p1 set2 4 -6.50858045 0 -11.2420608 -9.14621271 -9.68265408 -15.50805118 -12.40282347 0 -8.21569803 -3.91081895 0 0 0 -16.8360005 -15.84675881 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00356968-01 196712361 tox21-ror-cho-viability-p1 set2 4 4.71294029 -2.64127428 4.30258892 0.71591371 2.7404345 4.41973682 0.13379372 5.78276109 5.71755183 -4.92743853 -0.95493133 -0.33265626 4.5271565 1.76749025 5.71118704 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3648-21-3 19284 251919698 A Diheptyl phthalate O=C(OCCCCCCC)c1ccccc1C(=O)OCCCCCCC Tox21_303892 -NCGC00260504-01 196712371 tox21-ror-cho-viability-p1 set2 4 1.88173071 3.02003866 -1.39753924 -0.56279863 -0.1144349 1.96643258 -0.15913271 0.48269961 1.76764449 1.71876005 3.13347709 3.58202618 -40.73397192 0.79855836 -0.19043538 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.65E-8 1.487E-7 3.325E-7 7.4339999999E-7 0.000001662 0.0000037169999999 0.000008312 0.00001859 0.00004156 0.00009293 1564-64-3 74062 144210156 A F 9-Bromoanthracene Brc2c3ccccc3cc1ccccc12 Tox21_202958 -NCGC00015403-05 196712773 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -11.063067112 -0.5 -11.563067112 4.9549173134 0.6345497441 0.0751233236 0.26612862 0.6719984 -2.01635549 0.47916072 -0.65134898 -6.14230206 0.77825352 0.14788897 0.40176767 0.57430943 -0.40837943 1.26565321 -1.48171627 -0.92370954 -9.63588926 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35838-58-5 37274 170466445 B Etazolate hydrochloride Cl.C/C(C)=N\Nc2c(cnc1c2cnn1CC)C(=O)OCC Tox21_111226_1 -NCGC00016543-07 196712788 tox21-ror-cho-viability-p1 set2 4 -2.51164102 -1.67977034 -3.07446322 -4.74913332 -6.37675989 -1.15712383 -1.4849391 -2.56055428 0.23405946 0.16518453 -0.49284686 0.3857842 -0.55225536 -1.92743782 1.69118852 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 834-28-6 13266 170466230 A Phenformin hydrochloride Cl.N=C(N)NC(=N)NCCc1ccccc1 Tox21_111185_1 -NCGC00167456-02 196713188 tox21-ror-cho-viability-p1 set2 4 -1.47965963 1.51466166 0.7371833 -1.57044503 2.01716271 0.26106718 0.000068 3.14912807 3.62694253 -1.60429812 -1.49377674 -0.71236541 1.63003699 1.27792935 3.06373013 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3286-46-2 20055424 170466019 A Bisibutiamine Nc2nc(C)ncc2CN(C=O)C(/C)=C(/CCOC(=O)C(C)C)SSC(/CCOC(=O)C(C)C)=C(/C)N(C=O)Cc1cnc(C)nc1N Tox21_112460_1 -NCGC00093739-13 196713194 tox21-ror-cho-viability-p1 set2 4 0.6682424727 11.8873652159 -6.3873652159 5.5 0.2 0.5905509655 0.1065954501 -4.85861541 -0.91988092 -5.16159968 -6.15613768 -1.48962536 0.68673455 -1.38067074 -0.57233344 -1.75886822 -0.9518582 -0.4220452 0.44899405 0.21637456 0.74216629 3.99484283 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 486-56-6 854019 170466160 A Cotinine CN2C(=O)CC[C@H]2c1cnccc1 Tox21_111219_1 -NCGC00016567-05 196713198 tox21-ror-cho-viability-p1 set2 4 1.99236384 4.01718252 -1.57140939 -2.00657621 -0.79921661 3.68006842 1.04645323 0.06243245 -0.72147892 0.98680355 1.31148409 -1.00054364 2.09883656 3.41342242 0.75436916 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1188-21-2 70912 170466209 A Acetyl-L-leucine O=C(C)N[C@@H](CC(C)C)C(=O)O Tox21_111362_1 -NCGC00159417-06 196710733 tox21-ror-cho-viability-p1 set2 -2.1 55.7594848687 -97.3489712394 0.7072257719 -96.6417454675 2.3031167061 0.9924568096 2E-10 1.97886052 1.54357873 1.37110908 2.82035935 -0.64991458 2.23258768 -1.19015047 -1.06272034 1.07670312 -1.24860032 1.86706029 0.34563679 -9.88351712 -29.72738871 -75.10738293 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00255799-01 196710316 tox21-ror-cho-viability-p1 set2 -1.1 13.6854287769 -70.0940062571 -1.0169668629 -71.11097312 2.3331733767 0.9589041013 0.0000028462 -4.7891917 -2.54342383 -2.86171907 0.97481488 -3.54788811 0.54724692 1.32719103 -2.46881336 -0.8211532 -2.15120718 0.57900236 -11.11238972 -56.13163095 -73.8424776 -58.39775964 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 493-52-7 10303 144211653 A A Methyl red CN(C)c2ccc(/N=N/c1ccccc1C(=O)O)cc2 Tox21_301336 -NCGC00255688-01 196710713 tox21-ror-cho-viability-p1 set2 4 -6.85246087 -2.47319286 -2.75707721 -2.88614935 -2.2896422 -1.34050589 0.12198235 -0.7431823 -1.4777433 -2.18482152 -0.60204933 -1.92075956 -3.07077689 -2.772976 -6.35958139 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25059-80-7 3034351 144212280 A A Benazolin-ethyl O=C(OCC)CN2c1c(cccc1Cl)SC2=O Tox21_301963 -NCGC00163906-02 196710718 tox21-ror-cho-viability-p1 set2 4 0.23996683 -1.31276165 -0.57984545 0.68318817 0.68612865 -0.64312395 -1.36325654 -0.22106938 -0.25834949 -2.47544153 0.8779088 -1.12560809 -1.14503833 0.54226741 0.6089275 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00016000-13 196699315 tox21-ror-cho-viability-p1 set1 -2.1 35.1818565023 -102.778540119 -2.849773689 -105.628313808 0.5 0.8634435908 0.0014551344 0.25622435 -0.43805405 0.47414205 -1.06784428 -15.72381508 -11.02573527 -9.4604112 -8.96945672 -23.93363753 -26.21044469 -27.05807636 -33.82210105 -38.05707579 -41.42567004 -88.02359484 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00248312-02 196698462 tox21-ror-cho-viability-p1 set1 4 0.02980238 -0.34140706 -2.38537828 -2.34183859 -0.89469288 -0.46343583 0.05672345 -1.7782438 -2.06939318 -1.55372421 2.72473552 -3.65525222 -5.253404 -2.53973108 2.15096812 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104-20-1 61007 170466690 F A 4-(4-Methoxyphenyl)-2-butanone COc1ccc(CCC(C)=O)cc1 Tox21_113654 -NCGC00015060-14 196698901 tox21-ror-cho-viability-p1 set1 4 27.0562917993 12.5957981399 -1.5957981399 11 4.9549173134 0.8501902821 0.0035317706 0.51151666 -0.95274076 -1.94280642 -2.87270461 -2.05652844 -2.99649845 -0.33349277 -0.21198896 -0.4613621 -0.57561507 -2.19633797 -2.0882618 -2.6005933 11.76724677 1.6961169 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00091080-03 196699305 tox21-ror-cho-viability-p1 set1 4 12.8546905747 -11.502504676 1 -10.502504676 4.9549173134 0.8862652737 0.0006162605 1.86824937 2.36437737 1.82197508 -0.45117452 0.49390851 -0.27118694 1.48588217 0.71070918 -0.9464521 1.95633 -1.17447081 0.34417362 -8.28104772 -13.75208723 -7.78722623 1.1199999999E-9 2.5029999999E-9 5.5979999999E-9 1.2519999999E-8 2.799E-8 6.259E-8 1.399E-7 3.129E-7 6.9969999999E-7 0.0000015649999999 0.000003499 0.000007823 0.000017489999999 0.00003912 0.00008747 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00253972-01 196699318 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -29.5078706439 -0.5 -30.0078706439 3.6272481694 0.832040261 0.0037652541 2.46758686 -0.49266295 -4.64545771 0.14069638 2.13691888 2.37601625 -3.34402712 2.51979615 -2.07144726 -0.51827424 2.67735512 -5.15982135 -1.17379961 -4.54332151 -22.50655887 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-79-3 8341 144210421 A A 2-Aminoanthraquinone Nc2ccc3C(=O)c1ccccc1C(=O)c3c2 Tox21_300101 -NCGC00259068-01 196721770 tox21-ror-cho-viability-p1 set3 4 -6.52455941 -1.71480779 -0.25097552 2.7902172 -3.20723944 -1.74659262 -3.71110925 -8.28873624 -4.91523363 10.43133015 0.75110645 -5.85930765 -0.1847331 -7.26376922 -9.36994921 1.177E-9 2.6319999999E-9 5.886E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.000003679 0.000008225 0.00001839 0.00004113 0.00009196 304-28-9 9352 144208716 A A 2,7-Acetylaminofluorene CC(=O)Nc1ccc2c3ccc(cc3Cc2c1)NC(C)=O Tox21_201518 -NCGC00259412-01 196721354 tox21-ror-cho-viability-p1 set3 4 -1.378088 13.59694853 1.18486369 3.99235048 -1.55754493 -2.53317797 1.98708438 -5.21679801 -1.20593318 -4.28452344 -2.08777277 13.20685567 -3.44972647 -1.4386367 -1.35738399 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.9479999999E-8 6.591E-8 1.474E-7 3.295E-7 7.369E-7 0.000001648 0.000003684 0.000008239 0.00001842 0.00004119 0.00009211 118-82-1 8372 144209061 A F 4,4'-Methylenebis(2,6-di-t-butylphenol) CC(C)(C)c1cc(cc(c1O)C(C)(C)C)Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C Tox21_201863 -NCGC00094521-05 196721351 tox21-ror-cho-viability-p1 set3 4 -7.60298727 -9.20435434 -3.55003175 3.14207169 -8.7953676 -6.54666735 -15.10145249 -4.39312116 -7.88641759 0.51751968 -7.42256909 -4.18516323 -7.21586222 1.22640869 -21.08581787 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00091146-04 196721357 tox21-ror-cho-viability-p1 set3 4 -8.8364573 -0.49630315 -3.49116706 -6.41526548 -5.42687767 -10.8694076 -5.31731544 -1.15217385 -11.44672706 3.19423852 -12.79227315 -11.9072066 -14.04320084 -7.04234745 -15.80724787 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00259756-01 196721775 tox21-ror-cho-viability-p1 set3 4 -12.3247095 -8.02408211 -12.33926061 -6.30064579 -15.71817843 -8.19317969 -15.53814607 -12.87120413 8.66835826 -4.25405054 -17.32326172 -14.28154402 -5.29431006 0.19922848 -3.24812979 1.218E-9 2.7239999999E-9 6.092E-9 1.3619999999E-8 3.046E-8 6.811E-8 1.5229999999E-7 3.405E-7 7.6139999999E-7 0.000001703 0.0000038069999999 0.000008513 0.000019039999999 0.00004257 0.00009518 590-17-0 11534 144209405 B A Bromoacetonitrile BrCC#N Tox21_202207 -NCGC00259236-01 196722155 tox21-ror-cho-viability-p1 set3 -2.1 8.4683473565 -123.7200271537 0.0963423239 -123.6236848298 0.6 0.9706849993 0.0060560676 -4.69752588 1.38753661 0.22407556 -3.08261967 -5.0886104 -7.30626217 -5.40860691 -7.15092032 -31.73552619 -39.97596046 8.10989834 -47.36604649 -84.43058065 -90.41172701 -97.64904015 1.1609999999E-9 2.5959999999E-9 5.806E-9 1.298E-8 2.903E-8 6.4909999999E-8 1.451E-7 3.245E-7 7.257E-7 0.000001623 0.000003629 0.000008114 0.00001814 0.00004057 0.000090709999999 1897-45-6 15910 144208885 Chlorothalonil Clc1c(C#N)c(Cl)c(C#N)c(Cl)c1Cl Tox21_201687 -NCGC00259152-01 196722175 tox21-ror-cho-viability-p1 set3 4 62.1889150983 20.371017548 -5.871017548 14.5 3.6772481694 0.3428287664 0.3265286155 -12.3925992 0.8764222 -0.28932806 -2.31804121 -4.83634711 -21.55918129 -10.03186405 -0.81777146 -5.50550983 1.89360279 -5.59399051 -11.43889375 -4.6589047 -1.75336659 10.80261998 1.197E-9 2.677E-9 5.9849999999E-9 1.338E-8 2.993E-8 6.6919999999E-8 1.496E-7 3.346E-7 7.482E-7 0.000001673 0.000003741 0.000008365 0.000018699999999 0.000041819999999 0.000093519999999 122-52-1 31215 144208801 D Triethyl phosphite CCOP(OCC)OCC Tox21_201603 -NCGC00165810-02 196725499 tox21-ror-cho-viability-p1 set3 2.4 33.4914596268 31.5739552759 -1.5739552759 30 4.9549173134 0.923268614 0.0000836147 -2.0275214 -4.64496273 0.51774344 1.7351437 0.68146236 0.35260217 -0.58586238 -0.58535862 -3.91690983 -2.10077973 0.65430135 -2.36576929 -4.11604953 -0.05801051 25.88285249 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 38821-52-2 38102 170466233 A Indoramin hydrochloride Cl.O=C(NC3CCN(CCc1cnc2ccccc12)CC3)c4ccccc4 Tox21_112265_1 -NCGC00183027-01 196697601 tox21-ror-cho-viability-p1 set1 4 -0.30398876 5.64002325 -6.35635512 0.11041123 1.24455579 0.14540259 0.4466249 -4.87893177 -8.84101588 -3.94694779 -0.46223058 -3.51381152 0.21824518 1.26631569 -0.36899616 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1421-14-3 15004 144206858 A A Propanidid COc1cc(ccc1OCC(=O)N(CC)CC)CC(=O)OCCC Tox21_113307 -NCGC00091011-05 196697603 tox21-ror-cho-viability-p1 set1 4 -10.45162017 -2.21078366 1.51308877 0.12429766 -1.64250949 -9.49647781 -2.89532343 2.01981054 -4.3932848 -2.22103183 -6.34469631 -0.56770004 0.53199371 0.26432343 -0.47829634 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00344584-01 196725910 tox21-ror-cho-viability-p1 set3 4 0.0053080386 6.331743012 -0.831743012 5.5 3.1319983358 0.4435315395 0.2492335707 0.44908857 0.15790587 -2.77645251 4.76548422 4.33782757 10.59926114 1.9812915 5.1188944 5.17963367 8.04235558 0.58306942 7.818194 2.51306738 8.43802167 -0.39337297 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52-53-9 2520 170464904 A Verapamil COc1cc(ccc1OC)C(C#N)(CCCN(C)CCc2ccc(OC)c(OC)c2)C(C)C Tox21_110300_1 -NCGC00167845-02 196725900 tox21-ror-cho-viability-p1 set3 4 0.92870517 0.51586951 1.27737462 -0.06254195 1.72345118 -0.87476534 0.58639016 -3.09954647 -2.05809236 1.89476144 1.52727228 -2.27244505 -0.76587202 -1.92245163 -1.64877146 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79-43-6 6597 170466805 F Dichloroacetic acid ClC(Cl)C(=O)O Tox21_111133_1 -NCGC00262933-01 196725905 tox21-ror-cho-viability-p1 set3 4 0.91404194 0.55411297 5.891128 -0.63658116 4.20671719 -0.55484339 -0.71504739 -3.36489758 -3.18689415 -3.69792168 -2.73165111 -1.48118251 -0.67115476 -0.41158383 0.5924392 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2144-08-3 75064 170466775 A A 2,3,4-Trihydroxybenzaldehyde Oc1ccc(C=O)c(O)c1O Tox21_113928 -NCGC00164574-06 196725914 tox21-ror-cho-viability-p1 set3 4 4.50814894 4.99222713 -2.05487142 2.24559652 -3.21961449 6.14957102 4.51519347 2.50015312 3.59780385 -3.5147913 4.78969458 4.72037063 6.80892283 -0.76822479 0.12010642 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 183321-74-6 176870 170465434 A Erlotinib C#Cc1cc(ccc1)Nc3ncnc2cc(OCCOC)c(cc23)OCCOC Tox21_112202_1 -NCGC00018277-06 196726308 tox21-ror-cho-viability-p1 set3 2.2 23.7101376556 63.3925851468 0.7462894819 64.1388746287 2.4063783767 0.9501745721 0.0000082499 8.41646395 -2.42211055 -1.35803603 8.2638529 -0.70585483 -0.74868402 -0.63928308 0.90610878 -2.46819528 0.83542294 -1.5384831 -0.63797519 7.49881276 26.94196946 53.36932836 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2753-45-9 17683 170466168 A Mebeverine hydrochloride Cl.COc1cc(ccc1OC)C(=O)OCCCCN(CC)C(C)Cc2ccc(OC)cc2 Tox21_110527_1 -NCGC00249886-01 196726326 tox21-ror-cho-viability-p1 set3 4 0.0047307944 -22.1653838199 10 -12.1653838199 0.7999999999 0.8562105828 0.0018608427 8.19838436 3.23903365 0 0 -8.95878426 -6.6146906 -10.94946751 -6.12594469 -16.38781985 -14.70469721 -10.93390335 -8.72098406 -9.88565686 -12.70502596 -14.34437164 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7681-14-3 93055 170465430 A A Prednisolone tebutate CC(C)(C)CC(=O)OCC(=O)[C@@]4(O)CC[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_113662 -NCGC00256693-01 196726723 tox21-ror-cho-viability-p1 set3 4 0.002730602 23.63387342 -25.13387342 -1.5 0.7 0.4142873752 0.2579861387 -18.58582126 -4.33047099 -24.27822785 -2.6857516 0 0 -12.43705995 0 -1.75283812 -1.57369706 -1.07555752 -3.4842521 -0.33264841 -3.32606865 -0.47913295 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3077-12-1 76497 144212970 A A 2,2'-[(4-Methylphenyl)imino]diethanol OCCN(CCO)c1ccc(C)cc1 Tox21_302653 -NCGC00256594-01 196726729 tox21-ror-cho-viability-p1 set3 4 12.1971512362 10.726634656 -2.726634656 8 3.0654483358 0.5607094739 0.1429677487 5.41202119 -0.35387723 -0.17893976 -2.07577314 -3.31432506 -4.34983862 -6.43091865 -4.261067 -4.23330682 -3.69786843 -6.85552888 -0.27408703 7.22174642 6.81592037 -0.33692094 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18883-66-4 29327 144213291 D Streptozotocin O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)N(C)N=O Tox21_302974 -NCGC00090701-06 196726735 tox21-ror-cho-viability-p1 set3 4 0.28353701 6.085868 -0.04896098 3.89315197 1.95078472 3.2074736 -1.82417958 -4.42512621 -0.72646814 -2.05516805 -3.57494702 5.07237973 0.09958115 5.9077742 -3.46580135 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00257512-01 196718650 tox21-ror-cho-viability-p1 set2 4 15.3553036427 -8.299778848 1 -7.299778848 2.3331733767 0.7781835519 0.012425596 1.1808206 1.00106379 -0.79106252 -1.7112723 0.25386305 1.74455823 0.04837448 4.38837207 2.40834637 1.10406056 2.59935562 0.13074879 -5.19084692 -4.82984399 -8.58314904 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-83-9 8345 144213855 A A Bis(2-butoxyethyl) phthalate O=C(OCCOCCCC)c1ccccc1C(=O)OCCOCCCC Tox21_303550 -NCGC00256483-01 196718242 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -17.0699729119 1 -16.0699729119 4.9549173134 0.7225106521 0.0291407078 1.08909149 0.22082606 0.52894191 1.35187443 0.45498193 2.88326436 0.69287719 -3.92245266 0.81737271 -1.31336554 0.38015536 5.23579149 2.93618785 2.62015791 -12.55831076 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51630-58-1 3347 144213274 C I Fenvalerate Clc1ccc(cc1)C(C(C)C)C(=O)OC(C#N)c3cccc(Oc2ccccc2)c3 Tox21_302957 -NCGC00256548-01 196718246 tox21-ror-cho-viability-p1 set2 4 5.21677619 5.43107 5.64008494 5.77085317 1.6956516 10.37170941 0.83369281 10.27896502 10.94928831 9.94587781 8.75119982 1.66394239 8.1131509 5.94293662 6.34408177 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 64-77-7 5505 144213112 A A Tolbutamide Cc1ccc(cc1)S(=O)(=O)NC(=O)NCCCC Tox21_302795 -NCGC00257264-01 196718646 tox21-ror-cho-viability-p1 set2 4 -0.88976906 -2.55753804 -9.30088185 -0.63599871 -12.32846646 -10.92723962 -3.29368265 0.58720683 -7.28060645 -8.74274436 0.02096305 -0.87275649 -3.40504301 -1.81161664 -0.38994908 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-93-2 7269 144213819 A Ac 1,2,4,5-Tetramethylbenzene Cc1cc(C)c(C)cc1C Tox21_303511 -NCGC00090952-07 196715359 tox21-ror-cho-viability-p1 set2 4 12.4083198704 9.6151772559 -3.1151772559 6.5 2.3331733767 0.6231522447 0.081513489 0.25766581 -3.82862214 -2.70566968 -3.97579422 -0.90054792 -10.92931438 -3.71793535 -0.46267762 -0.82844773 -2.66939237 -2.17091883 -2.62829147 5.2242273 7.00871569 4.79525414 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00091657-02 196714938 tox21-ror-cho-viability-p1 set2 4 -0.0377519 -4.94416139 1.22088525 1.58149616 0.70445096 1.59855161 1.12614927 0.19229287 -0.56535299 2.80106707 -0.32151522 -0.0343816 1.26663038 1.61020294 0.65227231 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00244580-01 196714940 tox21-ror-cho-viability-p1 set2 4 -1.97784973 -1.09021932 1.33799619 -2.36607804 -3.4251823 0.99637632 1.57579451 -0.99491932 -1.44346477 0.88931614 -2.45673511 -1.158319 1.91576278 -0.49527377 -3.45723365 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00255073-01 196714942 tox21-ror-cho-viability-p1 set2 4 -9.37722717 -8.71615337 3.78106043 4.68703131 3.25325713 3.19251811 -7.96400584 -7.81533697 4.27634113 4.47468817 -7.2651555 -5.31007852 -4.32708362 0.2944345 -4.16537829 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2579-20-6 17406 144211492 A F 1,3-Cyclohexanedimethanamine NCC1CCCC(CN)C1 Tox21_301175 -NCGC00258035-01 196715757 tox21-ror-cho-viability-p1 set2 4 3.24417164 3.13392263 0.12496649 -0.44364464 1.14713928 1.70640481 3.06278769 0.08798115 3.02694377 2.11534682 1.54710004 2.23681749 -0.59189157 -0.05514817 1.55456984 1.162E-9 2.599E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.000003632 0.0000081199999999 0.00001816 0.0000406 0.00009079 333-20-0 516872 144207679 Potassium thiocyanate [K+].[S-]C#N Tox21_200481 -NCGC00257615-01 196716170 tox21-ror-cho-viability-p1 set2 4 0.31272156 0.33459339 -0.05495096 -3.60704102 -2.96746589 -1.4332448 -0.51538595 -1.8741288 0.6990139 1.35790889 -1.64751822 -2.58556705 1.98870854 -3.30815635 1.79626853 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041229999999 0.00009218 85-69-8 6818 144207259 A A Butyl 2-ethylhexyl phthalate O=C(OCCCC)c1ccccc1C(=O)OCC(CC)CCCC Tox21_200061 -NCGC00258223-01 196716176 tox21-ror-cho-viability-p1 set2 4 0.99597664 -3.10355708 -0.47702761 1.72870219 1.74493824 -2.88297249 0.32209431 -2.92135196 -0.83247285 0.75784754 1.97074025 -3.67398512 -4.64048424 -2.50491384 -3.90189068 1.175E-9 2.628E-9 5.875E-9 1.314E-8 2.938E-8 6.569E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.00004106 0.0000918 112-57-2 8197 144207867 Tetraethylenepentamine NCCNCCNCCNCCN Tox21_200669 -NCGC00258183-01 196716184 tox21-ror-cho-viability-p1 set2 4 4.70534216 5.76027486 0.13315426 -0.19863844 4.21117025 -5.44384182 0.57732049 5.80279332 -1.23929414 6.94904841 -0.53733753 0.31513883 2.70774628 3.6780143 -0.47836244 1.197E-9 2.676E-9 5.9849999999E-9 1.338E-8 2.992E-8 6.691E-8 1.496E-7 3.346E-7 7.481E-7 0.000001673 0.00000374 0.000008364 0.000018699999999 0.000041819999999 0.00009351 2905-62-6 76191 144207827 B F 3,5-Dichlorobenzoyl chloride Clc1cc(cc(Cl)c1)C(Cl)=O Tox21_200629 -NCGC00258396-01 196716188 tox21-ror-cho-viability-p1 set2 4 30.8560878831 -11.607558924 0.5 -11.107558924 2.0437424601 0.939015661 0.0000254203 -0.02802314 -0.35961505 1.00476338 -0.15103109 -0.05255754 2.34495559 0.62960033 1.58575664 0.21295613 -0.00969178 0.89659404 0.49202848 -3.64240223 -6.27672083 -10.92296577 1.187E-9 2.6549999999E-9 5.936E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.3189999999E-7 7.42E-7 0.000001659 0.0000037099999999 0.0000082959999999 0.00001855 0.000041479999999 0.00009276 178631-04-4 12184591 144208040 A A 1-Methyl-3-octylimidazolium bis(trifluoromethylsulfonyl)imide FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C[n+]1ccn(CCCCCCCC)c1 Tox21_200842 -NCGC00254480-01 196714024 tox21-ror-cho-viability-p1 set2 4 1.31064624 -0.31231176 0.64317614 1.50846043 0.02196102 0.27708684 0.55815327 -0.44473692 -0.05971522 -0.1643801 0.08897967 0.56547373 0.38847836 1.15838321 -0.86855629 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 162706-14-1 9926621 144210787 A A UK-156819 O=C(O)CCCCn2c1ccccc1c(c2C)c3cccnc3 Tox21_300469 -NCGC00254785-01 196714014 tox21-ror-cho-viability-p1 set2 4 -1.6546665 0.22909201 -1.2889921 0.04912591 -1.83493402 0.08068314 0.6231561 0.802672 -0.07178862 0.3008972 0.32733812 1.22502684 -0.07559436 2.30160434 0.3403754 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 571-58-4 11304 144211198 A Ac 1,4-Dimethylnaphthalene Cc1ccc(C)c2ccccc12 Tox21_300881 -NCGC00253948-01 196714023 tox21-ror-cho-viability-p1 set2 -2.1 19.3689895124 -78.4432699092 -4.328764978 -82.7720348872 1.8851180601 0.9537427198 0.0000054819 0.01467178 -2.13943702 0.65732032 -1.17495747 -9.01092164 -7.12709945 -6.18341017 -12.53315231 -0.81186716 -8.55149315 -3.88379627 -1.27495224 -19.22714813 -44.44439562 -67.63032946 5.4859999999E-10 1.227E-9 2.743E-9 6.133E-9 1.371E-8 3.0669999999E-8 6.857E-8 1.5329999999E-7 3.429E-7 7.667E-7 0.0000017139999999 0.000003833 0.000008571 0.00001917 0.00004286 NOCAS_47325 18173271 144210534 A A SB413217A Cl.Fc1ccc(cc1)/C=C/C(=O)NC2CCC(CC2)CCN3CCc4ccc(cc4CC3)c5nc(C)on5 Tox21_300214 -NCGC00254580-01 196714031 tox21-ror-cho-viability-p1 set2 -1.1 17.2289340586 -77.9229596904 -2.876693521 -80.7996532114 2.2526478767 0.9864192934 5E-9 -0.7587389 -1.37180729 -2.13988624 -3.6414477 1.14816282 -9.5343399 -0.41510276 -1.07906993 -2.23428046 -9.50465411 -4.51810326 -12.55859081 -44.37921951 -73.92837575 -77.61877239 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 941-69-5 13662 144210989 A Fc 1-Phenyl-1H-pyrrole-2,5-dione O=C2C=CC(=O)N2c1ccccc1 Tox21_300672 -NCGC00254488-01 196714431 tox21-ror-cho-viability-p1 set2 4 12.1971512362 8.8694132959 -0.8694132959 8 2.3331733767 0.854155795 0.0032047554 -0.07560464 1.00703118 0.15337763 0.38695944 -3.22451108 -0.97686831 -1.68276035 -0.89732252 0.21980848 -1.23508655 -1.09328499 1.23357241 6.23962542 7.1386342 -1.32793204 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-12-0 7002 144210657 B Ac 1-Methylnaphthalene Cc2cccc1ccccc12 Tox21_300339 -NCGC00260433-01 196712395 tox21-ror-cho-viability-p1 set2 4 44.2471559781 -22.819662996 2.5 -20.319662996 2.3331733767 0.8750319496 0.0009658318 0.72546938 0.76106638 -1.03235466 3.69572279 2.1295447 0.95021231 3.27516061 5.38930873 6.56987455 1.24038223 2.03962613 -0.1848803 1.39917158 -8.9139329 -16.51638583 1.202E-9 2.687E-9 6.008E-9 1.344E-8 3.0039999999E-8 6.718E-8 1.5019999999E-7 3.359E-7 7.51E-7 0.000001679 0.0000037549999999 0.000008397 0.00001878 0.000041979999999 0.000093879999999 96-91-3 4921319 144210085 A A 2-Amino-4,6-dinitrophenol Nc1cc(cc([N+]([O-])=O)c1O)[N+]([O-])=O Tox21_202887 -NCGC00259818-01 196712383 tox21-ror-cho-viability-p1 set2 -2.2 37.9049263994 -47.6864705417 2.7750073985 -44.9114631432 2.2526478767 0.9253336006 0.00007217 0.79315392 5.41218248 5.86954667 4.11784005 5.55637471 5.93056177 -2.80036196 5.07860006 -0.92720755 -1.97530066 -0.96339075 0.22325799 1.00959253 -25.44770478 -38.56929026 1.163E-9 2.601E-9 5.817E-9 1.301E-8 2.908E-8 6.5039999999E-8 1.454E-7 3.252E-7 7.2709999999E-7 0.0000016259999999 0.000003636 0.000008129 0.00001818 0.00004065 0.000090889999999 63-05-8 6128 144209467 A A 4-Androstene-3,17-dione O=C2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_202269 -NCGC00260451-01 196712386 tox21-ror-cho-viability-p1 set2 4 0.0099254861 -14.2750185119 0.822637112 -13.4523813999 0.5999999999 0.3232412827 0.3605628428 -2.77932124 -2.23113574 -5.64061838 -6.98699228 -7.91054181 -18.38800231 -3.19591406 -10.96627042 -11.80016929 -11.54820292 -9.54832573 -24.1269845 -18.82216452 -3.46546066 8.26510833 1.204E-9 2.692E-9 6.02E-9 1.346E-8 3.01E-8 6.73E-8 1.5049999999E-7 3.365E-7 7.5249999999E-7 0.000001683 0.0000037619999999 0.000008413 0.000018809999999 0.00004206 0.00009406 96568-04-6 2733708 144210103 F F Ethyl 4-(2,6-dichloro-5-fluoropyridin-3-yl)-3-oxobutanoate Fc1cc(C(=O)CC(=O)OCC)c(Cl)nc1Cl Tox21_202905 -NCGC00260543-01 196712390 tox21-ror-cho-viability-p1 set2 4 2.5456466 2.72077915 2.55014509 3.31211403 5.17282949 3.85086372 3.6231141 6.73015427 9.04350108 4.19375347 2.70454071 4.91716337 6.19476271 7.29935113 8.85047226 6.494E-11 1.452E-10 3.247E-10 7.261E-10 1.624E-9 3.6299999999E-9 8.118E-9 1.8149999999E-8 4.059E-8 9.0759999999E-8 2.029E-7 4.5379999999E-7 0.0000010149999999 0.000002269 0.0000050739999999 3386-33-2 18815 144210196 F Fns Octadecyl chloride CCCCCCCCCCCCCCCCCCCl Tox21_202998 -NCGC00018221-08 196712794 tox21-ror-cho-viability-p1 set2 4 3.479617501 -14.39621372 7 -7.39621372 0.3 0.5923970911 0.1033045571 8.470165 6.97690659 1.0509808 0.50393967 7.06223432 8.42586717 0.1973916 0.6334722 0.18041145 1.75465004 -0.27423124 0.51845858 -1.57115272 -1.80844708 -5.3301781 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00164530-03 196712796 tox21-ror-cho-viability-p1 set2 4 -5.14133775 -2.90351397 -0.07756477 -1.08680109 -0.31080379 -2.15691006 -2.18786752 -2.04856465 -1.97279791 -1.41542882 2.35819272 -0.27896456 -0.35471976 -1.56206928 1.46881432 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58473-74-8 688145 170466115 A Cinromide Brc1cc(/C=C/C(=O)NCC)ccc1 Tox21_112161_1 -NCGC00167454-02 196712800 tox21-ror-cho-viability-p1 set2 4 -4.82351463 -4.34980878 -6.2608705 -5.79473266 -5.4304664 -4.67080403 -2.85979633 -2.38304551 -2.53981046 0.01886432 -3.4262079 0.07064776 0.0122465 0.32722915 1.6656286 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 88069-67-4 4820 170465988 A Pilsicainide Cc3cccc(C)c3NC(=O)CC12CCCN2CCC1 Tox21_112458_1 -NCGC00255398-01 196701379 tox21-ror-cho-viability-p1 set1 4 0.08650545 -0.77341462 0.31093757 -5.0997653 -1.67984985 0.13361399 0.75763833 1.14874566 0.23550374 2.13498904 -1.53440615 0.26622878 1.76108048 1.53935718 3.8837805 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 622-40-2 61163 144212339 A 4-(2-Hydroxyethyl)morpholine OCCN1CCOCC1 Tox21_302022 -NCGC00258151-01 196702208 tox21-ror-cho-viability-p1 set1 4 -4.67342392 -0.09399246 -4.99060516 -5.54072113 -0.0084207 -4.24449083 0.39859371 -8.93112861 -4.47004179 0.67772069 -0.82244199 -8.05123629 -5.68085844 -4.87479785 -19.51978554 1.182E-9 2.644E-9 5.9109999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.305E-7 7.3889999999E-7 0.0000016519999999 0.0000036949999999 0.000008261 0.000018469999999 0.00004131 0.000092359999999 258273-75-5 12991988 144207795 A A Butyltrimethylammonium bis(trifluoromethylsulfonyl)imide FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.CCCC[N+](C)(C)C Tox21_200597 -NCGC00258335-01 196702212 tox21-ror-cho-viability-p1 set1 4 70.1970324498 20.0931185719 -1.0931185719 19 4.9549173134 0.8640172075 0.0014493314 0.92471088 -0.20846517 -3.82759881 -0.50329639 -0.99890628 0.58930055 -1.74762627 -0.39023107 -1.90867158 0.0397609 -1.80418172 -0.31446341 1.91404043 -2.8380125 15.76685219 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.346E-8 3.009E-8 6.728E-8 1.504E-7 3.3639999999E-7 7.522E-7 0.000001682 0.000003761 0.0000084099999999 0.0000188 0.000042049999999 0.00009402 29911-28-2 24752 144207979 A A 1-(2-Butoxy-1-methylethoxy)propan-2-ol OC(C)COC(C)COCCCC Tox21_200781 -NCGC00257724-01 196702216 tox21-ror-cho-viability-p1 set1 4 3.39266151 2.62290934 6.50752745 7.62897583 1.66726994 3.20564275 16.05615512 3.46873038 11.9493619 12.3236251 3.43562588 -3.99270091 3.90102831 1.29551752 4.39928383 1.172E-9 2.621E-9 5.862E-9 1.311E-8 2.931E-8 6.554E-8 1.465E-7 3.277E-7 7.327E-7 0.0000016379999999 0.000003664 0.000008192 0.00001832 0.00004096 0.00009159 24370-25-0 32346 144207368 A A 2-Benzimidazolylurea NC(=O)Nc1nc2ccccc2n1 Tox21_200170 -NCGC00258763-01 196702229 tox21-ror-cho-viability-p1 set1 4 4.8162956025 5.080643684 -3.080643684 2 3.6272481694 0.5063496619 0.1923895675 -1.170774 -2.23355381 -0.91926236 -1.5167394 -4.58222567 -2.1888581 -7.56720307 -7.24694043 -1.65374507 -3.21490609 -1.53048902 1.06206052 3.79725524 0.66397484 -1.2168928 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.551E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.000003662 0.0000081889999999 0.00001831 0.00004095 0.00009156 533-31-3 68289 144208409 A A Sesamol Oc1ccc2OCOc2c1 Tox21_201211 -NCGC00357265-01 196723821 tox21-ror-cho-viability-p1 set3 4 0.0385707789 11.9126380159 -6.4126380159 5.5 2.7202212143 0.63483875 0.0734387637 -2.90055259 -9.23387128 -3.41672332 -9.51053168 -1.3128518 2.92036235 5.36438521 6.23214987 1.64451616 15.93538868 3.12669417 5.84150166 1.50598524 0.80306466 8.74488113 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 115-18-4 8257 251919814 A 2-Methyl-3-buten-2-ol C=CC(C)(C)O Tox21_303823 -NCGC00091775-03 196723400 tox21-ror-cho-viability-p1 set3 -1.2 17.2289340586 -38.6359119324 -2 -40.6359119324 1.4641 0.9274622008 0.0000620241 0.83782598 1.5274439 0.25068731 -7.31376189 0.65911071 -0.84134848 -6.58274157 -9.24459314 0.81276697 -5.02654164 -5.63713331 -11.33889857 -21.75869156 -34.447321 -36.08781207 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00262922-01 196723416 tox21-ror-cho-viability-p1 set3 4 -0.85858651 3.77149868 6.02920526 3.50738357 9.98573722 1.73286699 -1.21829698 -1.36383836 9.45681596 2.49116412 3.77334728 5.43913128 4.28451405 5.87948279 15.58072378 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84803-46-3 2727728 170466705 A A 4-(4-Chlorophenyl)piperidine-2,6-dione O=C1CC(CC(=O)N1)c2ccc(Cl)cc2 Tox21_113918 -NCGC00260370-01 196723812 tox21-ror-cho-viability-p1 set3 4 -5.6809677 4.97310793 -2.25522121 -2.24621844 -6.33096692 2.00921572 5.22104602 1.72651716 -1.35826544 0.17044042 -2.27073702 -1.5463764 -4.84321329 -2.59976028 -0.05833561 1.183E-9 2.644E-9 5.913E-9 1.322E-8 2.9569999999E-8 6.611E-8 1.4779999999E-7 3.306E-7 7.3909999999E-7 0.0000016529999999 0.000003696 0.0000082639999999 0.00001848 0.00004132 0.00009239 350-30-1 67688 144210022 A A 2-Chloro-1-fluoro-4-nitrobenzene Fc1ccc(cc1Cl)[N+]([O-])=O Tox21_202824 -NCGC00260397-01 196723833 tox21-ror-cho-viability-p1 set3 4 1.7706747 1.11207268 -2.24472923 1.97512251 1.08237646 2.60452665 2.0393874 0.763142 2.69177933 -0.22596874 -0.57575966 1.10276473 2.93215781 4.71523581 4.32725625 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.00009231 590-47-6 24884197 144210049 A Betaine monohydrate O.C[N+](C)(C)CC([O-])=O Tox21_202851 -NCGC00016868-12 196697662 tox21-ror-cho-viability-p1 set1 4 -0.019401 2.04415152 -1.9935636 -0.3902099 -2.49453959 -3.17532863 -0.83342253 -0.95121162 -1.28559675 -4.91102961 -1.13011952 0.02489795 -1.1670024 0.04551871 0.05415719 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53164-05-9 1981 170466043 A Acemetacin Clc1ccc(cc1)C(=O)n3c2ccc(cc2c(CC(=O)OCC(=O)O)c3C)OC Tox21_113473_1 -NCGC00159358-03 196698079 tox21-ror-cho-viability-p1 set1 4 -3.98631066 -1.62539822 0.34621307 -4.09540698 -5.77798374 -2.54195773 -1.51022126 2.10520898 -4.6560444 -3.40056166 0.56557704 -4.40054519 -4.89981192 -5.5909648 -4.53465656 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 146-22-5 4506 170465667 A Nitrazepam [O-][N+](=O)c1ccc2NC(=O)CN=C(c2c1)c3ccccc3 Tox21_111601_1 -NCGC00014670-17 196698094 tox21-ror-cho-viability-p1 set1 4 9.4391758155 -17.09288654 -0.5 -17.59288654 0.7999999999 0.7888859607 0.0100279673 -2.10516726 -2.0800778 -2.90484963 0.47827689 1.70087385 -1.97810903 -0.62247306 4.01717123 1.60911732 -4.96512689 -6.00997066 -8.34045615 -6.71186271 -10.46480615 -15.07740545 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57808-66-9 3151 170465594 A Domperidone Clc4cc5NC(=O)N(C3CCN(CCCN1c2ccccc2NC1=O)CC3)c5cc4 Tox21_110056_1 -NCGC00255980-01 196727985 tox21-ror-cho-viability-p1 set3 -3 60.8198633448 -37.7544781399 0 -37.7544781399 4.4494702849 0.7198954053 0.0297604938 3.33457888 4.67983327 -5.76102246 -8.80723646 -0.55533577 -3.13805268 7.11343932 3.65585359 4.46298988 -8.44089348 -4.00736942 6.722261 4.02829238 -6.50664142 -32.29539845 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.938E-8 6.568E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.000041049999999 0.0000918 1918-18-9 15969 144211652 A A Swep Clc1ccc(NC(=O)OC)cc1Cl Tox21_301335 -NCGC00015844-10 196697280 tox21-ror-cho-viability-p1 set1 4 -4.9712203 -2.18913078 -6.18723862 -1.9260827 -1.07696598 -1.03728365 -4.55220045 -4.35965502 -0.39312375 -3.51369818 -2.40011289 -3.63519207 -2.11736375 -0.29548664 -9.6043576 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50865-01-5 71484 170465923 F Protoporphyrin disodium [Na+].[Na+].[O-]C(=O)CCc2c(C)c1cc5nc(cc4nc(cc3nc(cc2n1)C(CCC([O-])=O)=C3C)c(C)c4C=C)C(C)=C5C=C Tox21_112390_1 -NCGC00023945-12 196697297 tox21-ror-cho-viability-p1 set1 4 1.36079211 1.7097871 -1.52775394 -2.82051612 -3.83946387 -3.38155277 -2.92475975 -3.69627531 -2.05100704 -0.40827171 0.0381918 -0.7675256 -1.89109124 1.7913719 -0.15169954 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 30516-87-1 35370 170464737 A 3'-Azido-3'-deoxythymidine CC1=CN(C(=O)NC1=O)[C@H]2C[C@H](\N=[N+]=[N-])[C@@H](CO)O2 Tox21_110062_1 -NCGC00016418-15 196697309 tox21-ror-cho-viability-p1 set1 4 18.8336317891 -11.871630884 1.5 -10.371630884 2.7202212143 0.608273715 0.1078668704 0.88789138 1.84356257 0.48474715 0.02008925 -0.14505557 1.27451891 0.30148336 -0.8547129 1.19565174 2.26806004 2.9359081 2.10454908 3.52314682 -6.97635907 0.94529448 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 298-81-7 4114 170465041 A Methoxsalen COc1c3occc3cc2C=CC(=O)Oc12 Tox21_110432_1 -NCGC00257439-01 196727162 tox21-ror-cho-viability-p1 set3 4 -0.80586301 0.0944434 -6.19963529 -5.67346775 -8.06496792 -5.56708894 -6.15005328 0.30606373 -4.27442524 -4.1398098 -6.12712711 -0.57115467 0.33250879 -0.57691382 -7.98188263 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13826-35-2 26295 144213876 A A 3-Phenoxybenzenemethanol OCc2cc(Oc1ccccc1)ccc2 Tox21_303571 -NCGC00091086-02 196727563 tox21-ror-cho-viability-p1 set3 4 0.0086349218 4.9281503639 -2.4281503639 2.5 2.09374246 0.4338934819 0.2441762315 -0.97768827 -4.10679197 0.57964522 0.0173015 2.9300724 4.50700951 -0.10443362 2.76240892 4.00093577 3.39363892 3.29876801 0.14479906 -0.01275005 0.30687195 6.23752782 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00257105-01 196727565 tox21-ror-cho-viability-p1 set3 4 4.12519024 2.96817735 -2.25566629 1.32226141 3.5263143 2.35877092 0.53124052 -0.49826785 4.0162618 0.35998133 4.0451584 0.95721408 4.10396425 0.41262971 0.02927149 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4083-64-1 77703 144213453 F F 4-Methylbenzenesulfonyl isocyanate Cc1ccc(cc1)S(=O)(=O)/N=C=O Tox21_303136 -NCGC00256232-01 196727997 tox21-ror-cho-viability-p1 set3 4 3.42484978 2.3123451 1.20021813 -0.68588184 -1.69561211 -3.53420617 -7.35813142 -8.86389066 3.32285569 2.47312165 -1.37979426 -2.09530612 -1.46555943 4.71584473 3.69666237 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 824-72-6 69990 144211811 F F Phenylphosphonic dichloride ClP(=O)(Cl)c1ccccc1 Tox21_301494 -NCGC00256025-01 196727998 tox21-ror-cho-viability-p1 set3 4 15.3553036427 -11.945211568 2.5 -9.445211568 0.3 0.4897200292 0.2076135681 -0.27759843 4.50710804 3.1993391 1.36780394 -2.00109922 -1.36456104 2.5465813 -1.11154676 -0.64227502 -2.07664261 -0.85339126 -0.52880245 -7.87100964 -3.20361187 1.47496185 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81-83-4 66491 144211902 A A 1H-Benzo[de]isoquinoline-1,3(2H)-dione O=C3NC(=O)c2cccc1cccc3c12 Tox21_301585 -NCGC00255647-01 196728000 tox21-ror-cho-viability-p1 set3 -1.1 17.2289340586 -108.3461929681 -1.7428656983 -110.0890586664 3.9899729863 0.9921772343 2E-10 -0.91595323 -0.62966083 -2.71857405 -0.98579715 -6.24497802 -1.22608627 -1.73038815 -8.84559089 -0.31973615 -4.53117691 5.65986316 -6.201503 -60.51421254 -110.5311834 -107.98161222 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1594-56-5 15325 144211780 A A 2,4-Dinitrophenyl thiocyanate N#CSc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O Tox21_301463 -NCGC00090721-03 196728406 tox21-ror-cho-viability-p1 set3 4 2.98308029 -0.3715774 -7.94672802 -13.48824855 6.04949711 9.39682315 12.51352586 7.33722737 -5.52357131 5.12354155 -13.60450611 5.99124582 2.82665293 16.5841107 14.56204738 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00255709-01 196728815 tox21-ror-cho-viability-p1 set3 4 3.50676607 8.9526422 1.1638716 7.19796557 11.16814187 8.86630411 -1.22795874 -1.85532476 -2.05378909 2.03009254 9.33432788 3.31279666 -3.84357766 7.43255195 -4.83193279 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4128-37-4 20084 144212292 A A 1,3-Dipropan-2-ylurea CC(C)NC(=O)NC(C)C Tox21_301975 -NCGC00091050-09 196723129 tox21-ror-cho-viability-p1 set3 -1.1 0.5308038637 -116.5199242124 3.780236202 -112.7396880104 2.7202212143 0.9915709552 3E-10 -1.84728523 3.22122346 0.47003562 -0.05502749 7.08415187 5.2382345 2.52250483 -0.62485793 -15.59760542 -94.36348799 -109.26217165 -109.2256555 -110.12369489 -108.93979355 -118.92372153 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62-38-4 16682730 170465524 F Phenylmercuric acetate CC(=O)O[Hg]c1ccccc1 Tox21_111068_1 -NCGC00255026-01 196699437 tox21-ror-cho-viability-p1 set1 4 -0.74702439 0.08095462 0.33299698 1.08204149 1.17157918 0.62014582 0.99621686 1.63970667 -0.12803879 2.04327021 0.06396777 -1.33548648 2.75795541 -6.70789773 -2.36882248 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87818-31-3 16004722 144211444 A A Cinmethylin C[C@]32CC[C@@](C[C@@H]2OCc1ccccc1C)(O3)C(C)C Tox21_301127 -NCGC00254264-01 196699444 tox21-ror-cho-viability-p1 set1 4 -4.36715364 -0.41229052 -3.2885337 -6.60265844 -0.06618004 -1.02066993 -1.14723411 -1.27765668 1.02493194 0.05483122 -3.8895193 0.26691528 -0.38825998 -5.19914378 -2.67176258 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 147-24-0 8980 144210928 A A Diphenhydramine hydrochloride Cl.CN(C)CCOC(c1ccccc1)c2ccccc2 Tox21_300611 -NCGC00253679-01 196723530 tox21-ror-cho-viability-p1 set3 4 0.59906091 -3.71122902 -1.07431354 2.04381293 -0.4174711 2.12553926 3.76146136 2.96052237 5.39007013 -14.39157757 5.10241536 3.40708536 -1.65449963 0.7340009 -2.6979483 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 76283-09-5 2733660 170466711 F A 4-Bromo-1-(bromomethyl)-2-fluoro-benzene BrCc1ccc(Br)cc1F Tox21_113803 -NCGC00094571-08 196723130 tox21-ror-cho-viability-p1 set3 4 10.4683138 2.32168125 -0.58650697 -3.85596573 -1.9032244 11.80243931 5.39005585 -1.20056018 -2.56836697 -6.74853204 6.41657462 5.91748699 -10.03690869 -5.4752477 11.86468499 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 483-63-6 2883 170464851 A Crotamiton CCN(C(=O)C=CC)c1ccccc1C Tox21_110446_1 -NCGC00159375-04 196723526 tox21-ror-cho-viability-p1 set3 4 9.85584305 -4.62163345 -4.51001471 7.89363404 7.73911526 6.2843473 6.23489487 -4.85423685 4.16567878 3.50052364 -2.0845867 -4.11557658 -5.56148382 5.22486711 13.9345488 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 106-50-3 7814 170466858 Z 1,4-Benzenediamine Nc1ccc(N)cc1 Tox21_111615_1 -NCGC00182054-03 196723544 tox21-ror-cho-viability-p1 set3 4 0.00290976 -3.21823534 -2.56119442 0 -2.35688233 4.96377855 2.7677179 0.76712583 -3.36124019 0.33480282 -11.64361521 4.76810588 3.40053096 -0.6927039 8.99538453 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 86780-90-7 2225 170465977 B Aranidipine CC=1NC(C)=C(C(C=1C(=O)OCC(C)=O)c2ccccc2[N+]([O-])=O)C(=O)OC Tox21_113003_1 -NCGC00260422-01 196723947 tox21-ror-cho-viability-p1 set3 4 -3.44654147 -1.46490453 -5.37601971 -5.63020784 0.0257971 -3.25529379 0.42364658 -1.110287 0.72542688 -0.76772502 1.66374163 0.24367352 2.74231386 -1.57491799 -8.59765114 1.172E-9 2.6199999999E-9 5.858E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.275E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.00001831 0.000040929999999 0.00009153 91-56-5 7054 144210074 A A Isatin O=C1c2ccccc2NC1=O Tox21_202876 -NCGC00163903-03 196723955 tox21-ror-cho-viability-p1 set3 4 0.0014510607 19.864361796 -21.864361796 -2 0.6 0.447142319 0.2282914515 -16.55363483 -5.0849952 -5.64248166 -10.3001019 -5.89181426 1.47212755 -5.55542126 -5.58397053 -3.02243639 -1.02834763 -1.40641107 -5.88418803 -4.68451429 -4.03779984 -2.82972961 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00181915-01 196697786 tox21-ror-cho-viability-p1 set1 4 0.14098057 4.20669765 -1.03452439 -8.31808504 0.11783492 -3.83137391 5.99188716 3.62737596 1.00184546 -1.54307798 0.86076284 -1.84971247 0.48236581 0.48527595 2.18331706 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118635-52-2 164072 144206887 B C Mepranoprofen arbamel CN(C)C(=O)COC(=O)C(C)c1cc2Cc3ccc(C)nc3Oc2cc1 Tox21_113336 -NCGC00015245-10 196697796 tox21-ror-cho-viability-p1 set1 4 -0.46230779 -2.6068112 -5.49211816 -3.13849592 0.1260896 -0.15171464 0.4712288 -3.8121107 -0.28244516 2.00942584 -5.96625101 -0.20571761 -3.3863652 -0.03609079 0.36417957 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 590-63-6 11548 170464912 Z Bethanechol chloride [Cl-].C[N+](C)(C)CC(C)OC(=O)N Tox21_112028_1 -NCGC00016407-08 196697806 tox21-ror-cho-viability-p1 set1 4 29.8492948118 17.5811771759 -2.0811771759 15.5 3.1319983358 0.7379953427 0.0235208071 -4.14899226 -4.31527358 0.32923065 -4.47807722 0.88509569 -3.96663613 -1.94346405 -1.6121307 -3.81840988 -2.73812042 1.20515042 -4.65098098 1.96745938 1.04725022 12.06186149 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 144-82-1 5328 170465369 A Sulfamethizole Cc2nnc(NS(=O)(=O)c1ccc(N)cc1)s2 Tox21_110425_1 -NCGC00021876-04 196713387 tox21-ror-cho-viability-p1 set2 4 2.47062285 -6.34101014 -6.57118042 -6.96564167 2.54777723 -7.78586231 0.42807457 -5.82866879 3.34919889 -5.08139563 -6.65878971 -1.59555948 0.67979205 -2.3126707 -1.28333814 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 115-02-6 5284344 170466537 F Azaserine OC(=O)[C@@H](N)COC(=O)/C=[N+]=[N-] Tox21_110833_1 -NCGC00260297-01 196711319 tox21-ror-cho-viability-p1 set2 4 -1.41843885 -1.96359548 -3.83979888 -3.83562342 -13.61861493 -1.32672739 -1.55027942 -2.79459748 -39.37925556 -26.71382129 -3.32591308 -1.4135826 0 -17.82348379 -3.34216845 2.7849999999E-10 6.228E-10 1.3929999999E-9 3.1139999999E-9 6.9629999999E-9 1.557E-8 3.482E-8 7.785E-8 1.741E-7 3.8929999999E-7 8.704E-7 0.0000019459999999 0.000004352 0.000009732 0.00002176 4860-03-1 20993 144209947 Fns 1-Chlorohexadecane CCCCCCCCCCCCCCCCCl Tox21_202749 -NCGC00260597-01 196711328 tox21-ror-cho-viability-p1 set2 4 -2.39756046 1.55054272 -5.04059452 -1.21615854 -2.0787333 -9.77039868 -3.14709034 -6.90621748 -26.07643064 -18.86199349 -13.28291484 0 -6.41916049 0.06738234 -12.84521595 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49493 144210250 M M NTP Mix51 CT1 3-EQP Tox21_203052 -NCGC00260499-01 196711329 tox21-ror-cho-viability-p1 set2 2.4 39.4353192752 25.566539004 2.433460996 28 0.7 0.8810169961 0.0007633231 3.0072944 4.31126122 2.21573031 -0.05544917 2.72272654 0 1.21235464 6.8751467 6.58705198 6.51130212 5.96150466 8.69995167 9.18847217 15.37076189 20.42516493 1.202E-9 2.688E-9 6.01E-9 1.344E-8 3.005E-8 6.7199999999E-8 1.503E-7 3.36E-7 7.5129999999E-7 0.0000016799999999 0.0000037559999999 0.0000084 0.00001878 0.000042 0.000093909999999 98-98-6 1018 144210151 F A Picolinic acid O=C(O)c1ccccn1 Tox21_202953 -NCGC00253607-01 196712578 tox21-ror-cho-viability-p1 set2 4 -6.14171327 -6.60964698 -0.51523741 -0.66931331 -0.70342833 -0.65704485 0.57254746 0.71651492 0.125702 0.34667354 -0.86851304 -0.14425297 1.12327516 -0.09455396 3.15874755 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 116308-55-5 122073 170465844 A A Watanidipine [O-][N+](=O)c1cccc(c1)C2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OCCc3ccc(cc3)N4CCN(CC4)C(c5ccccc5)c6ccccc6 Tox21_113741 -NCGC00016692-05 196712579 tox21-ror-cho-viability-p1 set2 4 1.90292396 1.32065331 3.86631669 -2.05903704 3.87603637 4.30118459 3.70313197 3.3816133 -1.36636836 -1.84252669 2.89672868 3.08859098 0.46099912 1.85381339 -1.67795962 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10457-90-6 2448 170465873 A Bromperidol Fc1ccc(cc1)C(=O)CCCN2CCC(O)(CC2)c3ccc(Br)cc3 Tox21_110565_1 -NCGC00015340-14 196712990 tox21-ror-cho-viability-p1 set2 4 0.71673534 0.73925062 -0.04689667 0.0729742 2.56888538 1.16590274 1.11263813 1.25805037 3.10050497 1.57271768 0.83769695 1.2205461 2.33450181 -1.14965079 -1.14711103 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-28-6 65327 170465424 A Desipramine hydrochloride Cl.CNCCCN2c3ccccc3CCc1ccccc12 Tox21_110129_1 -NCGC00160508-03 196713391 tox21-ror-cho-viability-p1 set2 4 -0.1466957 -0.24277025 -4.93902972 -3.6320039 -1.43234694 2.568002 -3.37378819 -2.5205686 0.06087634 -2.61236164 1.5610017 -7.75713964 -4.95474945 -0.94086221 -0.2794053 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 652-67-5 12597 170465187 F Isosorbide O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12 Tox21_111861_1 -NCGC00274067-01 196713396 tox21-ror-cho-viability-p1 set2 4 1.67836898 -1.20560915 3.90059318 0.79795472 4.28483434 -1.58598277 -1.04691334 0.58802619 5.87594157 0.75586796 0.20186342 -1.81488003 0.23008486 3.40578885 3.03257366 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 496775-61-2 25181561 170465399 A F Eltrombopag olamine O=C(O)c1cccc(c1)c4cccc(N\N=C2\C(=O)N(N=C2C)c3ccc(C)c(C)c3)c4O Tox21_113965 -NCGC00179265-03 196713807 tox21-ror-cho-viability-p1 set2 4 -0.37863415 2.62081407 -1.85839521 -0.92624512 0.33987434 -0.06621696 1.24197542 0.30789873 0.13542637 -1.24371817 -2.82764453 0.84705638 -5.13105862 -2.42440253 -3.36476367 5.899E-12 1.319E-11 2.949E-11 6.595E-11 1.475E-10 3.2969999999E-10 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 56391-57-2 60196266 170465142 F Netilmicin sulfate O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.NC3CC=C(CN)OC3O[C@@H]2[C@@H](N)C[C@@H](NCC)[C@H](O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O)[C@H]2O.NC3CC=C(CN)OC3O[C@H]2[C@H](O)[C@@H](O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O)[C@H](NCC)C[C@@H]2N Tox21_110663_1 -NCGC00163927-04 196713811 tox21-ror-cho-viability-p1 set2 4 2.10506564 -1.04106891 1.61620388 -1.21521774 -0.68993332 -2.07630671 0.5733496 -0.96381231 3.24579498 -1.1704663 0.55496051 0.25484556 2.72558995 4.14990554 -0.58521565 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00014925-06 196713822 tox21-ror-cho-viability-p1 set2 -1.2 3.3491459627 -43.7644235489 1.194697959 -42.5697255899 2.1876167061 0.9958774793 0 0.99239927 1.19260793 2.52296157 0.9407448 0.63566951 -0.41202338 -0.32861037 0.84073507 1.57654887 1.83912756 -8.29933343 -24.59181189 -37.23774098 -41.76914376 -43.58307925 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 119413-54-6 60699 170465137 A Topotecan hydrochloride Cl.CN(C)Cc1c2cc3CN4C(=O)C=5COC(=O)[C@](O)(CC)C=5C=C4c3nc2ccc1O Tox21_111478_1 -NCGC00249919-01 196713825 tox21-ror-cho-viability-p1 set2 4 16.7854920005 -10.985971608 3.5 -7.485971608 0.6999999999 0.6546464734 0.0627232293 3.50053257 5.83531634 0.05914552 2.7458771 3.47360588 5.56087814 4.12392917 2.1008013 3.99931591 0.06869988 1.86956511 1.55963294 -2.3492962 0.24937217 -5.40497634 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7642-64-0 111318 170465918 A A Nandrolone furylpropionate O=C4C=C5CC[C@@H]2[C@H](CC[C@]3(C)[C@@H](OC(=O)CCc1ccco1)CC[C@@H]23)[C@H]5CC4 Tox21_113695 -NCGC00259983-01 196709622 tox21-ror-cho-viability-p1 set2 4 0.20631734 0.38559047 0.06073532 3.23717793 4.29012922 -0.06313071 2.2027033 -0.0898227 2.6120155 2.3127126 0.46090979 4.11754685 2.09014694 2.94210473 3.957963 1.2049999999E-9 2.695E-9 6.027E-9 1.348E-8 3.013E-8 6.738E-8 1.507E-7 3.3689999999E-7 7.533E-7 0.0000016839999999 0.0000037669999999 0.000008422 0.000018829999999 0.000042109999999 0.00009417 123-17-1 61056 144209632 I A 2,6,8-Trimethyl-4-nonanol CC(C)CC(C)CC(O)CC(C)C Tox21_202434 -NCGC00259585-01 196709629 tox21-ror-cho-viability-p1 set2 4 5.41137345 0.59440164 4.93702188 5.34350848 2.18731105 0.13078125 2.78650776 3.33542222 2.0597462 2.30869162 2.14651617 3.34754352 2.95416953 0.74364793 -1.10846249 1.172E-9 2.6199999999E-9 5.859E-9 1.31E-8 2.929E-8 6.55E-8 1.465E-7 3.275E-7 7.324E-7 0.0000016379999999 0.000003662 0.000008188 0.00001831 0.00004094 0.00009154 1929-82-4 16004 144209234 A A Nitrapyrin ClC(Cl)(Cl)c1cccc(Cl)n1 Tox21_202036 -NCGC00258832-01 196709630 tox21-ror-cho-viability-p1 set2 4 2.09160994 -8.79696834 -1.32336449 -18.52737784 -0.17093452 -2.31566161 -0.73073362 -2.78907081 -3.44663481 1.52621627 -2.76437913 -0.28470837 0.46668977 -2.73056706 -14.72724533 1.166E-9 2.6069999999E-9 5.83E-9 1.304E-8 2.9149999999E-8 6.518E-8 1.458E-7 3.259E-7 7.288E-7 0.0000016299999999 0.0000036439999999 0.0000081479999999 0.00001822 0.00004074 0.000091099999999 92-15-9 7078 144208478 A B N-(2-Methoxyphenyl)-3-oxobutanamide COc1ccccc1NC(=O)CC(C)=O Tox21_201280 -NCGC00258948-01 196709635 tox21-ror-cho-viability-p1 set2 4 0.86971065 2.24778415 0.24017595 -0.56781783 0.4451997 2.51177263 1.01440118 -0.92887381 -1.42432333 -0.15200989 -0.83715981 1.9537911 0.66885135 0.28754093 0.77333672 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 57-50-1 5988 144208595 D Sucrose O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O Tox21_201397 -NCGC00090698-04 196709636 tox21-ror-cho-viability-p1 set2 4 5.58515904 0.09821055 1.12646226 -0.21154566 2.4842647 1.39157503 1.59714537 1.76256155 1.0489089 1.18507117 0.20754795 -0.70915757 1.51794171 0.44388389 1.37322357 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00256107-01 196710036 tox21-ror-cho-viability-p1 set2 4 -2.1573143 -5.44675269 -0.7468003 -4.71947953 -1.71057578 -1.50187878 -5.83564243 -5.10692877 -2.46898347 2.28156513 -0.42203892 0.2250479 1.04797197 1.01593786 0.44557178 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4130-08-9 77780 144211600 F Fns Ethenylsilanetriyl triacetate O=C(C)O[Si](OC(C)=O)(OC(=O)C)C=C Tox21_301283 -NCGC00090704-03 196706332 tox21-ror-cho-viability-p1 set1 4 0.0068589622 -8.241735604 5 -3.241735604 4.9549173134 0.5187025782 0.1629999119 6.3763659 3.16949265 3.09591185 -5.47041629 -3.02511837 -3.21850478 -3.77509286 2.50680849 -2.92163216 -0.92790218 -3.32690137 -8.53477967 -1.01997253 0.66652954 -7.6179932 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00167729-03 196705499 tox21-ror-cho-viability-p1 set1 4 33.4914596268 9.4374667799 -0.4374667799 9 1.4641 0.3720212798 0.3034466765 -0.07745813 -0.33601717 4.07725114 -4.11455565 -0.79307926 -3.18226012 2.61871229 0.02717125 0.37654653 -0.69117049 -1.20161648 -0.33226004 3.5624876 0.39171874 6.52703598 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 136381-85-6 122077 170466345 A Lintitript O=C(Nc1nc(cs1)c2ccccc2Cl)c4cc3ccccc3n4CC(=O)O Tox21_112581_1 -NCGC00090708-05 196705901 tox21-ror-cho-viability-p1 set1 4 2.8276574 0.64335936 0.98017594 -9.15569452 3.33311059 0.97269841 -4.19896296 -0.16282882 -11.13505229 11.13669684 -0.16141239 5.76217048 0.54919154 -1.7607498 -10.87660438 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00259709-01 196705916 tox21-ror-cho-viability-p1 set1 4 -7.2126552 -9.61124633 -10.67929996 -11.20773464 -10.85046216 -8.14740681 -4.0098506 -11.9481977 -8.86320888 -12.37239199 0.03400962 -14.35973495 -11.98461539 -13.55965605 -14.30044415 1.1739999999E-9 2.626E-9 5.871E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.282E-7 7.339E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.000091739999999 50471-44-8 39676 144209358 A A Vinclozolin O=C1N(C(=O)OC1(C)C=C)c2cc(Cl)cc(Cl)c2 Tox21_202160 -NCGC00259481-01 196706337 tox21-ror-cho-viability-p1 set1 4 48.854168593 22.4204026559 -6.4204026559 16 0.7 0.5695625116 0.1199685414 -1.6149158 -8.72590914 -5.09848068 -8.80045419 -16.18366888 -0.6746915 -5.49263326 -6.05968331 -3.52923349 -0.47472029 -5.47294513 -0.47103995 0.66470364 0.42583167 10.93646561 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003708 0.000008291 0.00001854 0.00004145 0.00009269 99-87-6 7463 144209130 AC Fns p-Cymene Cc1ccc(cc1)C(C)C Tox21_201932 -NCGC00091426-02 196706731 tox21-ror-cho-viability-p1 set1 4 5.40859385 8.30713665 3.14292628 2.97264457 0.47979394 0.27351686 1.00273684 0.73323491 0.7521933 16.24518049 1.93690718 -0.28913549 4.20972116 1.54685785 1.88978198 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00090708-05 196706739 tox21-ror-cho-viability-p1 set1 -1.2 8.6349217992 -32.3519462562 -4 -36.3519462562 3.9294729863 0.9178338351 0.0001186435 -1.68484658 -2.82856302 -7.53962304 -10.00837421 -8.37000514 -5.88938527 -3.7872047 1.3729591 0.36489572 -9.67112192 1.41082181 -18.63408806 -36.33198428 -37.59994731 -33.35545753 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00167505-02 196717771 tox21-ror-cho-viability-p1 set2 4 2.69980986 2.1375552 0.10233101 3.28558876 7.0046524 1.78742484 5.0766791 3.94266949 1.31188662 0.91342153 3.4153592 2.96205158 1.5899471 1.19208796 3.36569076 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 144143-96-4 5282474 170465071 A Eprosartan mesylate OC(=O)C(/Cc1cccs1)=C/c3cnc(CCCC)n3Cc2ccc(cc2)C(=O)O.CS(=O)(=O)O Tox21_112186_1 -NCGC00262925-01 196717350 tox21-ror-cho-viability-p1 set2 4 -1.76788198 4.00936043 4.41964524 3.15092157 4.55184932 4.191879 5.92418844 3.69175437 4.68394059 2.48837865 5.25483858 5.42616229 3.39534213 -1.6621128 -1.35604271 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 86408-72-2 72187528 170466790 F A Ecabet sodium [Na+].CC(C)c2cc3CC[C@@H]1[C@](C)(CCC[C@@]1(C)C([O-])=O)c3cc2S(=O)(=O)O Tox21_113921 -NCGC00263526-01 196717353 tox21-ror-cho-viability-p1 set2 4 0.5308038637 -5.6176002519 5 -0.6176002519 2.0478617061 0.72010256 0.0304630643 4.5888756 3.06123454 6.16575519 4.29473212 3.26505959 4.03670398 9.65425603 3.76652427 2.43810242 1.68104167 -0.93472912 0.09845111 -0.0375566 -1.34800021 -0.69710461 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1310709-74-0 56649463 170466241 A Halometasone hydrate O.OCC(=O)[C@@]4(O)[C@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3C[C@H](F)C1=CC(=O)C(Cl)=C[C@@]12C Tox21_112211_1 -NCGC00015708-15 196717364 tox21-ror-cho-viability-p1 set2 4 0.26603212 6.92308274 -3.92308274 3 0.7999999999 0.5941052786 0.1170445311 -4.39037762 -3.56651056 -0.18705243 -7.85256895 -1.42454593 -5.70712032 0.59025867 -1.90593902 0.62177162 1.15533298 -0.29015899 4.09767024 1.04802086 3.81326614 -1.04264008 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10262-69-8 4011 170464778 A Maprotiline hydrochloride CNCCCC24CCC(c1ccccc12)c3ccccc34 Tox21_110200_1 -NCGC00181795-02 196717772 tox21-ror-cho-viability-p1 set2 4 -0.49712316 -1.43038071 1.8193582 3.13862374 6.22504729 3.54067658 3.43021792 -0.76335492 3.56542868 2.62748591 1.12467725 2.44775473 0.84116784 2.29809107 -0.05237734 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 220991-20-8 151166 170465597 A Lumiracoxib Clc2cccc(F)c2Nc1ccc(C)cc1CC(=O)O Tox21_113566_1 -NCGC00163771-03 196715301 tox21-ror-cho-viability-p1 set2 4 -1.33790696 -0.61487435 -1.03212417 -1.72680583 0.72922949 0.33519087 -0.58062353 -0.19406689 -0.90683306 0.32636075 0.51328545 0.15891975 -0.28129972 -1.17153005 3.93062315 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00258122-01 196715293 tox21-ror-cho-viability-p1 set2 4 69.3576091162 -25.3148135999 1.5 -23.8148135999 3.6772481694 0.9479025686 0.0000106681 -0.28592677 0.05794301 1.32283129 1.8428286 3.28212606 3.15920764 1.60474113 1.94658685 2.51098998 2.40953969 1.24671252 2.92692334 -0.4746635 -1.71109808 -17.345678 1.191E-9 2.663E-9 5.955E-9 1.332E-8 2.978E-8 6.6579999999E-8 1.489E-7 3.3289999999E-7 7.4439999999E-7 0.000001665 0.0000037219999999 0.000008323 0.00001861 0.000041609999999 0.00009305 4345-03-3 20353 144207766 A F D-alpha-Tocopheryl succinate O=C(O)CCC(=O)Oc2c(C)c(C)c1O[C@@](C)(CCc1c2C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C Tox21_200568 -NCGC00258580-01 196715294 tox21-ror-cho-viability-p1 set2 4 3.89426531 0.90030504 0.36993597 0.55910531 -5.24146312 -0.41856258 1.87178479 -0.32866036 -0.94152846 1.10465191 -10.25492545 0.81359165 0.54390653 -0.41239742 -0.89989448 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004133 0.000092409999999 121-47-1 8474 144208225 A B 3-Aminobenzenesulfonic acid Nc1cc(ccc1)S(O)(=O)=O Tox21_201027 -NCGC00260669-01 196715295 tox21-ror-cho-viability-p1 set2 4 2.13585777 4.3085325 7.83447118 2.31049309 3.12718291 2.44133461 1.67918829 1.91433984 2.75441144 1.88675873 2.87363967 -0.39177231 -0.79186772 1.07303531 1.27564679 1.198E-9 2.679E-9 5.989E-9 1.339E-8 2.995E-8 6.696E-8 1.497E-7 3.3479999999E-7 7.487E-7 0.0000016739999999 0.0000037429999999 0.000008371 0.000018719999999 0.00004185 0.00009359 6338-41-6 80642 144208280 A A 5-(Hydroxymethyl)-2-furoic acid OC(=O)c1ccc(CO)o1 Tox21_201082 -NCGC00258028-01 196715702 tox21-ror-cho-viability-p1 set2 4 4.30408036 2.31456598 0.65685805 -0.90998462 3.35212859 2.27278912 -2.12716501 2.44879619 4.58686326 0.29791867 1.52543323 1.34757492 4.40305132 1.87024249 4.40440882 1.148E-9 2.568E-9 5.7419999999E-9 1.284E-8 2.8709999999E-8 6.4199999999E-8 1.436E-7 3.21E-7 7.1779999999E-7 0.0000016049999999 0.000003589 0.000008025 0.00001794 0.000040119999999 0.00008972 1603-41-4 15348 144207672 A A 5-Methylpyridin-2-amine Cc1cnc(N)cc1 Tox21_200474 -NCGC00091284-03 196715703 tox21-ror-cho-viability-p1 set2 4 1.69334757 3.46044735 2.16488979 0.74743808 0.74774877 2.05223894 -2.03558822 1.62486636 5.17721963 1.79088429 1.44196264 -0.14559444 -0.93786283 1.53835095 1.82649155 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00258264-01 196715711 tox21-ror-cho-viability-p1 set2 4 -0.20501196 -2.81755555 -5.13436562 -2.01737449 -1.96121544 -0.1763142 -1.09568908 3.00047183 0.59586236 -2.0950116 -2.83576935 -4.01625836 -1.8826029 -2.45029321 -3.70790639 1.1989999999E-9 2.6809999999E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.701E-8 1.4979999999E-7 3.351E-7 7.492E-7 0.000001675 0.000003746 0.000008377 0.00001873 0.00004188 0.00009365 50-32-8 2336 144207908 F Benzo(a)pyrene c1cc2c3ccc4cccc5ccc(cc2cc1)c3c45 Tox21_200710 -NCGC00257711-01 196715715 tox21-ror-cho-viability-p1 set2 1.1 6.8380418669 116.0368198056 1.0625531496 117.0993729552 4.9549173134 0.9964946609 0 0.59991733 -1.11653848 1.24418763 2.38382265 2.79233715 4.97495458 2.13054225 4.63114606 -0.15901567 0.09101131 0.21033259 88.93814998 115.26257214 119.0034278 113.36686501 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.000091989999999 738-70-5 5578 144207355 A A Trimethoprim Nc2nc(N)ncc2Cc1cc(OC)c(OC)c(OC)c1 Tox21_200157 -NCGC00260155-01 196703502 tox21-ror-cho-viability-p1 set1 4 -2.58033401 -0.19802047 -9.12459642 -1.48806567 -1.15699127 -14.76583362 -10.76110661 -5.77602733 -1.31127774 -3.30404097 -3.49537241 -0.1721885 0.04630481 -3.74786808 -0.72976981 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.962E-8 6.622E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 3132-64-7 18430 144209805 F Epibromohydrin BrCC1CO1 Tox21_202607 -NCGC00259802-01 196706372 tox21-ror-cho-viability-p1 set1 4 -6.48496921 -6.61951324 -5.18917162 -2.84286063 -0.14372174 0.15625246 -9.2000891 0.54854261 10.9039961 -10.3395039 -8.239494 -3.73612387 0.33976206 -8.16481062 -11.86309949 1.214E-9 2.7139999999E-9 6.0679999999E-9 1.357E-8 3.034E-8 6.7839999999E-8 1.517E-7 3.3919999999E-7 7.5849999999E-7 0.000001696 0.0000037919999999 0.00000848 0.00001896 0.000042399999999 0.00009481 136-35-6 8689 144209451 F F Diazoaminobenzene N(=N/Nc1ccccc1)\c2ccccc2 Tox21_202253 -NCGC00259626-01 196706373 tox21-ror-cho-viability-p1 set1 4 1.27100804 10.034299 2.80896368 7.94091877 4.13846158 5.35235098 0.29364808 -0.43192069 -4.14096711 9.74104884 2.11694207 0.33254025 0.43988489 1.82259702 1.52175572 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.65E-8 1.487E-7 3.325E-7 7.4339999999E-7 0.000001662 0.0000037169999999 0.000008312 0.00001859 0.00004156 0.00009293 56-81-5 753 144209275 A A Glycerol OCC(O)CO Tox21_202077 -NCGC00160388-04 196704315 tox21-ror-cho-viability-p1 set1 4 1.11881245 -1.31381075 -3.29838835 -6.63940163 -2.15454179 -1.64273483 -1.9906335 -6.44690802 -1.49850875 -2.02434172 0.11123717 -2.6508233 -0.10140027 0.38070633 0.48656411 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67121-76-0 49381 170466413 A Fluperlapine CN1CCN(CC1)C2=Nc4cc(F)ccc4Cc3ccccc23 Tox21_111780_1 -NCGC00260242-01 196703504 tox21-ror-cho-viability-p1 set1 4 4.82541245 -2.52469424 2.24241951 1.41990805 -2.2552435 -0.48971454 1.49252669 0.68456165 4.88116502 4.44592975 1.30575029 0.35048428 3.04739203 3.22294661 7.69235964 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.000003681 0.00000823 0.000018399999999 0.00004115 0.00009201 390423-43-5 2734248 144209892 A A 1-Butylpyridinium trifluoromethanesulfonate FC(F)(F)S([O-])(=O)=O.CCCC[n+]1ccccc1 Tox21_202694 -NCGC00090760-08 196703910 tox21-ror-cho-viability-p1 set1 -2.4 48.2616000528 -34.152867812 0.5 -33.652867812 1.6258976909 0.9008513353 0.0003097003 -3.20206306 -0.17303603 4.33862789 -0.06826443 2.9087379 -0.65202287 3.20809721 -1.66869962 -0.83901572 2.07675071 0.95115314 1.58925634 -8.96452482 -11.69843348 -25.54405651 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00016244-15 196704329 tox21-ror-cho-viability-p1 set1 4 -6.6919922 -3.43174749 -1.65797387 -0.7134226 -0.390456 -1.73344768 -2.82507907 -0.16729005 -0.9495287 -2.65239682 -1.64409619 -1.31561996 1.04305624 -1.53704424 -1.3009079 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54-85-3 3767 170466877 Z Isoniazid O=C(NN)c1ccncc1 Tox21_113640_1 -NCGC00090789-02 196704334 tox21-ror-cho-viability-p1 set1 4 5.95952649 1.42276316 0.7438326 1.14930024 1.06820791 -2.15186871 -1.26997856 2.19654534 -0.27009892 1.87315887 5.03465911 0.47786271 5.26795322 5.98324169 5.3426291 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00016913-14 196704728 tox21-ror-cho-viability-p1 set1 -2.2 26.6032120037 -58.71253939 -0.027097634 -58.739637024 4.4494702849 0.9706819651 4.263E-7 -0.11686372 1.4571001 -1.25933513 -0.24398506 -0.59727993 6.32127882 -3.73421563 0.98978428 -0.9136034 -0.51164338 0.52686586 -4.55881191 1.23108643 -15.13979937 -53.94969752 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68844-77-9 2247 170465888 A Astemizole Fc1ccc(cc1)Cn4c5ccccc5nc4NC3CCN(CCc2ccc(OC)cc2)CC3 Tox21_110680_1 -NCGC00247713-01 196704732 tox21-ror-cho-viability-p1 set1 4 0.60246703 -2.65102235 -2.90645875 -1.3231746 1.96172954 -1.68315796 1.61041773 -2.8506344 1.2344735 -0.24804471 0.25965909 -0.92088215 -3.45447009 -3.0200311 1.17982223 1.159E-9 2.592E-9 5.795E-9 1.2959999999E-8 2.898E-8 6.479E-8 1.449E-7 3.24E-7 7.244E-7 0.00000162 0.000003622 0.000008099 0.000018109999999 0.000040499999999 0.000090549999999 340-57-8 9567 144206423 A A Mecloqualone Clc1ccccc1N3C(C)=Nc2ccccc2C3=O Tox21_112870 -NCGC00181034-03 196704733 tox21-ror-cho-viability-p1 set1 4 7.85312836 0.00953505 5.0661296 0.34653076 2.59589873 0.61063688 2.9147218 0.96486354 0.07644207 -0.37676005 -0.21167742 4.8025457 3.60762873 3.06076717 4.52399008 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 145858-50-0 71454 170465610 A Liarozole Cl.Clc1cc(ccc1)C(c2ccc3ncnc3c2)n4ccnc4 Tox21_112683_1 -NCGC00274076-01 196704745 tox21-ror-cho-viability-p1 set1 4 0.80064622 0.56051227 -4.50845851 1.1277876 1.93787765 0.2170117 2.52476519 -3.73503195 0.27150798 2.48210344 -3.66937796 0.55288448 2.35373485 2.88584357 3.65017395 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122-40-7 31209 170466842 F Pentylcinnamaldehyde O=CC(CCCCC)=Cc1ccccc1 Tox21_112352_1 -NCGC00249894-01 196705165 tox21-ror-cho-viability-p1 set1 4 1.5004633 1.53375038 1.80314807 -1.34217699 0.99950332 -0.00961134 -1.623717 -5.47081049 1.33493781 -5.28584364 -6.85146597 -33.7849298 1.01399409 -2.70666242 4.14571848 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 93390-81-9 56339 170465016 A Fosphenytoin OP(=O)(O)OCN1C(=O)C(NC1=O)(c2ccccc2)c3ccccc3 Tox21_113670 -NCGC00091080-03 196705167 tox21-ror-cho-viability-p1 set1 4 12.8684646895 -13.10434532 1 -12.10434532 1.8851180601 0.8413017955 0.0029371978 -3.20414047 1.54209877 5.14695141 0.08819962 1.49601408 1.32349211 0.82816792 2.77779979 -2.53628811 1.8949208 0.36650631 -3.56825189 -6.80392928 -11.7536211 -11.32844806 1.121E-9 2.506E-9 5.6039999999E-9 1.2529999999E-8 2.802E-8 6.265E-8 1.401E-7 3.133E-7 7.005E-7 0.000001566 0.0000035019999999 0.000007831 0.00001751 0.00003916 0.00008756 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00256224-01 196700116 tox21-ror-cho-viability-p1 set1 4 -0.05078628 0.58256238 1.82426842 -0.63638746 3.84184386 1.18931236 -0.61467832 0.51397464 3.49386287 4.14538334 4.59047913 1.21838283 0.3366474 0.0774109 4.402967 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2094-99-7 604152 144212033 F F 1-(2-Isocyanatopropan-2-yl)-3-(prop-1-en-2-yl)benzene C=C(C)c1cccc(c1)C(C)(C)\N=C=O Tox21_301716 -NCGC00091657-02 196700523 tox21-ror-cho-viability-p1 set1 4 -3.31009088 -1.00376506 -3.33963367 -6.09404777 -8.82857519 -1.43561356 -7.33621637 0.5478211 -10.30050847 -6.9883094 -9.99196441 -1.39935621 -4.46357442 -6.67994347 -2.88870139 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00255308-01 196700525 tox21-ror-cho-viability-p1 set1 4 2.58664651 0.281121 0.94054769 5.12953536 0.90639581 0.94715058 -0.55390161 4.86350383 1.10229732 0.94615158 0.45393869 0.51905267 1.41705734 10.2527622 0.12724662 8.73E-11 1.9519999999E-10 4.3649999999E-10 9.76E-10 2.1819999999E-9 4.88E-9 1.091E-8 2.44E-8 5.4559999999E-8 1.2199999999E-7 2.7279999999E-7 6.1E-7 0.000001364 0.0000030499999999 0.00000682 9016-00-6 24771 144212754 FNS Polydimethylsiloxane C[Si](C)=O Tox21_302437 -NCGC00255255-01 196701359 tox21-ror-cho-viability-p1 set1 4 0.0216899429 4.632431316 -1.132431316 3.5 4.9549173134 0.3580368509 0.314971206 0.15604271 2.90352235 -0.62457529 -7.61035943 5.54517583 2.7660609 1.17180711 2.84764949 1.6833485 3.30392798 5.49363649 1.6980068 2.31348637 4.20460744 7.00938813 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 657-24-9 4091 144212687 A Metformin N=C(N)NC(=N)N(C)C Tox21_302370 -NCGC00255767-01 196701360 tox21-ror-cho-viability-p1 set1 4 -6.83409598 -0.24823805 -0.53731968 -1.67609098 -14.07481287 -2.74935258 2.44447556 -9.57315318 1.43531145 -7.02949668 -11.44961625 -7.86810679 -11.483199 -4.43456485 -4.04579875 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-92-1 7268 144212426 Ac Diethyl oxalate CCOC(=O)C(=O)OCC Tox21_302109 -NCGC00256152-01 196701361 tox21-ror-cho-viability-p1 set1 4 4.54751952 2.23921861 2.27368523 1.01170253 3.9717028 -0.59507722 3.15968557 -0.31878901 4.16807436 0.72268351 2.93220136 0.55917751 0.58806988 3.12991253 -2.16758383 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26896-48-0 160138 144211928 A I Tricyclodecanedimethanol OCC2CCC3C1CC(CC1CO)C23 Tox21_301611 -NCGC00255276-01 196701368 tox21-ror-cho-viability-p1 set1 4 -2.06235571 2.98440915 -2.06509138 2.77837046 3.61969971 0.63028784 2.54742863 0.18788387 3.18521279 1.94230753 3.92821826 0.71026582 3.61114585 -1.93419545 2.80385761 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33509-43-2 676486 144212312 A A 4-Amino-6-tert-butyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one O=C1N(N)C(=S)NN=C1C(C)(C)C Tox21_301995 -NCGC00258672-01 196701764 tox21-ror-cho-viability-p1 set1 4 1.1726853 0.94699812 1.78501473 -1.13044531 1.3834967 -6.03625041 1.37540913 -0.28574821 6.68301306 2.48239614 1.80584233 -3.44189687 0.57589074 1.06568447 3.68341208 1.171E-9 2.618E-9 5.8529999999E-9 1.3089999999E-8 2.927E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.316E-7 0.0000016359999999 0.000003658 0.00000818 0.00001829 0.0000409 0.00009146 481-40-3 3083585 144208318 FNS 1,4,5-Trihydroxynaphthalene Oc1ccc(O)c2cccc(O)c12 Tox21_201120 -NCGC00258164-01 196701779 tox21-ror-cho-viability-p1 set1 4 0.1940984391 2.7711737759 -0.2711737759 2.5 4.9549173134 0.3101567866 0.3778722005 2.95492972 -0.00113422 -2.14117175 2.92050162 -3.55931148 -0.56505642 -2.24333699 6.57042373 4.24971283 2.85811611 0.17093534 1.9360927 2.43905862 1.36139701 0.36012134 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.961E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.000003701 0.000008275 0.0000185 0.00004137 0.000092519999999 874-80-6 2734238 144207808 A A 1-Butylpyridinium bromide [Br-].CCCC[n+]1ccccc1 Tox21_200610 -NCGC00257694-01 196701785 tox21-ror-cho-viability-p1 set1 4 24.7578530296 -19.567181236 3.5 -16.067181236 2.3331733767 0.7874341327 0.0102654881 3.10102122 -0.30190685 2.66447107 10.61772608 8.26657677 0.49432769 2.06020328 1.58593484 4.04347591 2.81615126 2.80797064 -1.45281407 0.10336119 -13.74503913 -14.22265103 1.197E-9 2.676E-9 5.9839999999E-9 1.338E-8 2.992E-8 6.69E-8 1.496E-7 3.345E-7 7.48E-7 0.000001673 0.00000374 0.000008363 0.000018699999999 0.000041819999999 0.0000935 600-05-5 11746 144207338 FC 2,3-Dibromopropionic acid BrC(CBr)C(=O)O Tox21_200140 -NCGC00258233-01 196702181 tox21-ror-cho-viability-p1 set1 4 -9.83174952 -6.21003405 -4.80658167 0.0268722 -10.94576638 -2.12553979 -8.28201172 -4.56759426 -9.40273167 -11.52321086 -11.70932669 -9.55265604 -10.29576199 -8.09510966 -10.00995153 1.173E-9 2.622E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.329E-7 0.0000016389999999 0.000003665 0.000008195 0.00001832 0.000040969999999 0.00009162 329-01-1 9483 144207877 D 1-Isocyanato-3-(trifluoromethyl)benzene O=C=N/c1cc(ccc1)C(F)(F)F Tox21_200679 -NCGC00258777-01 196702182 tox21-ror-cho-viability-p1 set1 4 0.0028476424 13.8944834839 -9.3944834839 4.5 0.4 0.5041283529 0.1762465547 -6.16206957 -1.11066406 -1.67241314 2.02643755 1.67292048 1.49565901 -0.10862418 3.9080282 0.17807883 6.56752106 2.66861232 1.33646202 1.33559744 2.85261411 10.80820073 1.222E-9 2.732E-9 6.1089999999E-9 1.366E-8 3.055E-8 6.83E-8 1.5269999999E-7 3.415E-7 7.6359999999E-7 0.0000017079999999 0.000003818 0.000008538 0.00001909 0.000042689999999 0.000095459999999 2941-64-2 18056 144208423 AC Fns S-Ethyl chlorothioformic acid ClC(=O)SCC Tox21_201225 -NCGC00256302-01 196701385 tox21-ror-cho-viability-p1 set1 4 1.37702973 -2.84519769 -3.15082977 -1.32496951 -5.75692496 -2.80709942 1.68173615 -0.45298489 0.59688529 1.48981794 -5.24703359 0.76006493 1.77460657 -2.21646692 2.93407436 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 32329-20-7 2763760 144211558 A A 3-Methyl-3,4-dihydro-2H-1,4-benzoxazine CC1Nc2ccccc2OC1 Tox21_301241 -NCGC00257049-01 196707983 tox21-ror-cho-viability-p1 set1 4 -0.01298576 -7.92509777 -6.13948939 5.45293467 2.14062224 3.24891505 7.88477157 5.38048759 0.13325141 -5.83740886 -2.18168103 -6.13326471 4.47798332 -1.53817558 -4.71971546 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2050-47-7 16305 144213479 A A 4,4'-Dibromodiphenyl ether Brc2ccc(Oc1ccc(Br)cc1)cc2 Tox21_303162 -NCGC00257374-01 196707574 tox21-ror-cho-viability-p1 set1 4 -0.52135728 2.38943415 0.62535975 -2.77628226 0.71569565 -0.47207911 1.53543038 -0.75463774 -9.84493748 -1.16573144 0.90786306 2.89029363 -0.75133065 2.53658622 -0.23014916 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-18-3 66597 144213882 Ac Ac 4-tert-Butylphenyl salicylate Oc2ccccc2C(=O)Oc1ccc(cc1)C(C)(C)C Tox21_303577 -NCGC00256384-01 196707584 tox21-ror-cho-viability-p1 set1 4 -21.34403088 -6.26078862 -16.65116481 -9.9490417 -17.28899691 -25.64606526 -15.01384836 -19.67037036 -18.88669239 -22.0798841 -12.8194862 -2.379771 -10.22356136 -13.71877085 -8.074709 4.129E-10 9.233E-10 2.065E-9 4.6169999999E-9 1.0319999999E-8 2.308E-8 5.161E-8 1.154E-7 2.5809999999E-7 5.7709999999E-7 0.00000129 0.0000028849999999 0.0000064519999999 0.000014429999999 0.00003226 107-30-2 7864 144213256 FNS Chloromethyl methyl ether COCCl Tox21_302939 -NCGC00257336-01 196707979 tox21-ror-cho-viability-p1 set1 4 -13.21646633 -9.96425631 -3.09780136 0.58059963 -16.41000844 -15.95142208 -5.48278524 -12.20684568 -14.25518069 -18.99016335 -8.35989766 5.04448612 -5.567273 -7.26746107 -11.051728 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 70568-60-4 4132186 144213836 A I 4-Butylcyclohexanol OC1CCC(CCCC)CC1 Tox21_303529 -NCGC00091650-03 196707991 tox21-ror-cho-viability-p1 set1 4 4.86890237 -4.97333799 3.38387883 0.25222022 3.30506182 2.05756882 2.93391595 3.61759674 2.82228639 4.9016875 0.58986798 3.92556839 3.72848726 2.30287071 -0.38033992 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00256427-01 196707999 tox21-ror-cho-viability-p1 set1 4 -8.69727987 -2.6048452 -2.56425921 -19.58878334 -7.8960887 -18.73020648 -14.58844343 -9.50958663 -6.13553406 -12.91875577 -20.6663805 -0.96963003 -1.84052753 -2.69415962 -4.61394209 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-81-2 5280531 144213325 FNS Retinol palmitate CC=1CCCC(C)(C)C=1/C=CC(\C)=C\C=C\C(\C)=C\COC(=O)CCCCCCCCCCCCCCC Tox21_303008 -NCGC00259606-01 196708397 tox21-ror-cho-viability-p1 set2 4 54.371879846 -19.935696872 0 -19.935696872 1.92824246 0.9078051648 0.0002175057 -1.18260497 -0.47692327 1.01589128 0.08389559 -0.0214888 0.03400547 -0.45183018 1.16338926 0.98565064 1.09126452 0.60477533 -4.48264608 -0.85331111 -7.61432234 -14.94641406 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.3169999999E-8 2.944E-8 6.583E-8 1.472E-7 3.2919999999E-7 7.3599999999E-7 0.0000016459999999 0.00000368 0.0000082289999999 0.000018399999999 0.00004115 0.000092 50-28-2 5757 144209255 A A 17beta-Estradiol Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)CC[C@@H]12)c4cc3 Tox21_202057 -NCGC00259645-01 196708406 tox21-ror-cho-viability-p1 set2 4 1.93707703 0.1496269 0.86278628 -0.03107618 0.18570411 -5.08289933 -0.25206462 -5.53832682 0.10698382 -3.33095893 -1.12837792 1.59508021 2.65802694 -3.22813727 2.1619495 1.193E-9 2.667E-9 5.964E-9 1.333E-8 2.982E-8 6.6669999999E-8 1.491E-7 3.3339999999E-7 7.4539999999E-7 0.0000016669999999 0.0000037269999999 0.0000083339999999 0.00001864 0.00004167 0.00009318 127-17-3 1060 144209294 D 2-Oxopropanoic acid CC(=O)C(=O)O Tox21_202096 -NCGC00260012-01 196708407 tox21-ror-cho-viability-p1 set2 4 1.48453544 -3.45255395 0.69478503 -2.92717033 -2.9678511 -2.5396274 -2.09215995 -2.31398168 0.90740976 0.96234428 -1.7265546 -1.37458723 1.80761291 -0.90485577 1.49699601 1.163E-9 2.5999999999E-9 5.8139999999E-9 1.2999999999E-8 2.9069999999E-8 6.501E-8 1.454E-7 3.25E-7 7.268E-7 0.000001625 0.000003634 0.000008126 0.00001817 0.00004063 0.000090849999999 78-40-0 6535 144209661 A A Triethyl phosphate CCOP(=O)(OCC)OCC Tox21_202463 -NCGC00258860-01 196708410 tox21-ror-cho-viability-p1 set2 4 -2.3683137 0.19983714 -2.00950838 -1.83659055 3.75917464 0.92705711 0.33965143 -0.73388559 3.33312993 2.68913947 -0.51862576 2.56468881 3.68566628 0.30995313 3.83042585 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.976E-8 6.656E-8 1.4879999999E-7 3.3279999999E-7 7.441E-7 0.0000016639999999 0.000003721 0.000008319 0.0000186 0.0000416 0.00009301 93-68-5 7154 144208506 A B N-(2-Methylphenyl)-3-oxobutanamide O=C(Nc1ccccc1C)CC(C)=O Tox21_201308 -NCGC00163771-03 196708416 tox21-ror-cho-viability-p1 set2 4 0.93748704 3.79414309 -0.77153765 0.8416559 -0.79673256 -3.15897652 -1.01442098 -0.7501972 -0.8865574 -0.59927925 -0.55339106 -0.61876181 -0.38229944 0.96198821 0.7828842 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00247932-02 196717381 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -13.950404196 0 -13.950404196 4.9549173134 0.8329971995 0.0037474091 1.89556924 -0.08546585 0.66056611 -1.06218192 0.19775496 -2.46938512 -0.56900342 2.17757702 0.45528067 -0.87553238 0.51874122 2.61656681 -0.94557686 -0.32711091 -11.62533683 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127308-98-9 60196362 170466398 A Zamifenacin fumarate O=C(O)/C=C/C(=O)O.c1cc(cc2OCOc12)CCN5CCC[C@H](OC(c3ccccc3)c4ccccc4)C5 Tox21_113572_1 -NCGC00163815-04 196716961 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -51.5809710286 -2.008311075 -53.5892821036 4.9549173134 0.9510164999 0.0000075257 -4.67137364 -1.81750961 -8.69716037 -2.70105871 -1.41501865 -2.60444227 -2.20627822 -2.27087842 -2.48429148 -0.60067446 0.55945637 0.96463289 -0.08885929 -2.80830788 -44.11847786 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00179333-03 196716963 tox21-ror-cho-viability-p1 set2 4 3.58972298 -0.2006788 -5.1142635 -5.66080204 -0.62994663 2.95282274 -0.97083055 -0.15635413 -2.60378122 -1.67991903 -1.97499261 -3.90714592 -3.18121773 -2.76841597 -0.19377034 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 86-34-0 6839 170465315 A Phensuximide O=C1C(CC(=O)N1C)c2ccccc2 Tox21_110382_1 -NCGC00263479-01 196717375 tox21-ror-cho-viability-p1 set2 4 -0.40840459 0.50797619 -0.64863348 -2.89151779 -0.93001772 -4.84846693 -1.01808949 -0.50219948 -1.77838523 0.59302974 1.65177808 -0.23212677 -1.70877362 -2.44517861 -8.22942445 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 976-71-6 13789 170466206 A Canrenone O=C5CC[C@@]3(CC[C@H]2[C@@H]4C=CC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C)O5 Tox21_111451_1 -NCGC00247728-01 196717385 tox21-ror-cho-viability-p1 set2 4 -0.84328819 -3.12961866 -1.31662487 -6.22714258 1.3827345 -5.52642022 1.38811374 -4.64161231 1.34997625 -6.66647149 -3.68017556 -3.91197326 -3.89485598 0.90697528 0.23255473 1.1699999999E-9 2.6159999999E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.539E-8 1.462E-7 3.269E-7 7.311E-7 0.000001635 0.0000036549999999 0.000008173 0.00001828 0.000040869999999 0.00009138 520-53-6 4980 144206447 I I Psilocin CN(C)CCc2cnc1cccc(O)c12 Tox21_112894 -NCGC00178854-03 196717792 tox21-ror-cho-viability-p1 set2 1.1 1.6785492 81.3035383038 -1.9192826719 79.3842556319 1.9673362061 0.9639131443 0.000003911 1.97086317 -0.32862667 -3.58766898 -8.68273556 -0.47651793 -3.85741127 3.12768518 6.04812377 -1.55007194 3.31371511 42.82705944 77.8277016 72.64740045 69.64122717 43.09663012 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13614-98-7 54685925 170465049 A Minocycline hydrochloride Cl.CN(C)c2ccc(O)c1C(=O)C3=C(O)[C@]4(O)C(=O)C(=C(O)[C@@H](N(C)C)[C@@H]4C[C@@H]3Cc12)C(N)=O Tox21_111250_1 -NCGC00256601-01 196718199 tox21-ror-cho-viability-p1 set2 4 0.36418173 -3.97430134 -0.33493118 0.19225931 0.7179052 -1.61215562 -1.49491057 -1.2537033 -0.48632613 0.72028692 1.74236187 -0.07814783 -1.21347356 -1.51285773 -0.7186117 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25812-30-0 3463 144213101 A A Gemfibrozil O=C(O)C(C)(C)CCCOc1cc(C)ccc1C Tox21_302784 -NCGC00257241-01 196718200 tox21-ror-cho-viability-p1 set2 4 17.2289340586 6.0019524959 -3.5019524959 2.5 4.4494702849 0.5120008141 0.1894077738 -4.81336953 -1.16254056 -3.30278429 -3.76157988 -1.78063072 -7.50162708 -3.40997279 -2.8225141 -4.08831524 -0.31708995 -3.65006226 -3.23740991 -0.16751857 2.53946589 -2.18811919 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 556-82-1 11173 144213730 F 3-Methyl-2-buten-1-ol C/C(C)=C\CO Tox21_303419 -NCGC00090708-05 196714899 tox21-ror-cho-viability-p1 set2 4 12.1971512362 -20.188485884 0.5 -19.688485884 3.9294729863 0.9420707479 0.000018792 -0.43829661 0.92881516 0.42263888 -0.638151 -1.41241478 1.32472459 1.33070181 -0.87128963 0.78671739 -0.90276553 1.95342498 -1.77482027 -16.83927982 -23.90707157 -15.50500471 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00066947-05 196714489 tox21-ror-cho-viability-p1 set2 4 9.6885416101 -7.4778890239 1 -6.4778890239 4.4494702849 0.515539488 0.1828392671 0.71876249 1.85541656 4.12130457 1.7325734 0.83850895 2.18513873 2.89953782 -6.9383349 0.59068498 3.18375665 2.39888788 -1.44324323 -7.06490752 -5.28474567 2.45504114 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00253990-01 196714896 tox21-ror-cho-viability-p1 set2 4 -4.71765037 0.53190825 2.00777478 0.37900818 -1.72338961 -6.40845295 -0.21177306 -1.54577033 -2.83686914 -5.51372227 -4.77392702 2.29667996 2.04786041 -5.35022157 1.63229202 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47255 60196399 144210529 A D CP-465394 [Na+].OC(C)(C)c1coc(c1)S(=O)(=O)[N-]C(=O)Nc2c(cccc2C(C)C)C(C)C Tox21_300209 -NCGC00254262-01 196714895 tox21-ror-cho-viability-p1 set2 4 -1.6050655 3.0991092 -0.66769134 -2.47380824 -11.12742705 -1.95143182 -5.64072797 -9.53127737 3.04145987 -4.30620181 -6.5107597 -0.07943384 -1.65489206 -2.77238421 4.16513904 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1445-75-6 3073 144210792 A Ac Diisopropyl methylphosphonate CP(=O)(OC(C)C)OC(C)C Tox21_300474 -NCGC00259236-01 196706408 tox21-ror-cho-viability-p1 set1 -1.1 1.5059087741 -93.2426882782 -0.083306535 -93.3259948132 1.372261 0.9953474922 0.0073661525 -0.76298434 3.79559512 -6.51910381 -0.85552461 0.97959486 0.6331093 -0.43900074 -9.70025052 -28.16009852 -46.99750808 -7.02596849 -86.32385517 -92.03747023 -91.82780645 -90.38584415 1.1609999999E-9 2.5959999999E-9 5.806E-9 1.298E-8 2.903E-8 6.4909999999E-8 1.451E-7 3.245E-7 7.257E-7 0.000001623 0.000003629 0.000008114 0.00001814 0.00004057 0.000090709999999 1897-45-6 15910 144208885 Chlorothalonil Clc1c(C#N)c(Cl)c(C#N)c(Cl)c1Cl Tox21_201687 -NCGC00258911-01 196706394 tox21-ror-cho-viability-p1 set1 4 -0.12363508 7.26206476 1.4827458 -7.72868783 1.93321235 1.38193842 -3.08335376 0.57981443 3.42440879 -3.04024763 -5.53355094 0.07060049 2.2324677 4.05311298 5.90470949 1.141E-9 2.5509999999E-9 5.7039999999E-9 1.2749999999E-8 2.852E-8 6.377E-8 1.426E-7 3.1879999999E-7 7.1299999999E-7 0.000001594 0.0000035649999999 0.000007971 0.00001782 0.000039859999999 0.00008912 52214-84-3 2763 144208557 A A Ciprofibrate ClC2(Cl)CC2c1ccc(OC(C)(C)C(=O)O)cc1 Tox21_201359 -NCGC00259232-01 196706397 tox21-ror-cho-viability-p1 set1 4 1.29721591 -9.87071492 1.43623776 -0.73525276 6.97569426 -0.61309779 -8.14113382 0.51494238 6.87957578 12.43617765 0.12519517 4.73411789 0.09345562 2.33804469 0.06237478 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.386E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 326-61-4 9473 144208881 A A Piperonyl acetate CC(=O)OCc1ccc2OCOc2c1 Tox21_201683 -NCGC00259870-01 196706406 tox21-ror-cho-viability-p1 set1 4 3.50327401 7.63281919 2.00127795 2.3305441 6.21797613 12.35781096 2.81616961 3.70941217 -9.02527868 7.6560024 0.33449325 1.97393501 6.80873094 0.28478704 0.92952248 1.1919999999E-9 2.6649999999E-9 5.959E-9 1.332E-8 2.979E-8 6.662E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.0000016659999999 0.000003724 0.0000083279999999 0.00001862 0.00004164 0.00009311 25265-71-8 6537503 144209519 I A Dipropylene glycol CCC(O)OC(O)CC Tox21_202321 -NCGC00258895-01 196706412 tox21-ror-cho-viability-p1 set1 4 -10.94262269 -2.85666704 -18.23800009 -3.35466467 -2.47448816 -0.35247826 -4.01437356 -0.82443348 -0.38846192 -24.59551729 -3.09197059 0.73864914 -0.62710888 0.22015982 -1.14532412 1.221E-9 2.7309999999E-9 6.106E-9 1.365E-8 3.053E-8 6.8269999999E-8 1.526E-7 3.4129999999E-7 7.632E-7 0.000001707 0.0000038159999999 0.000008533 0.000019079999999 0.00004267 0.00009541 100-70-9 7522 144208541 A A 2-Pyridinecarbonitrile N#Cc1ccccn1 Tox21_201343 -NCGC00259628-01 196706417 tox21-ror-cho-viability-p1 set1 4 0.60725759 2.15808484 3.50591148 5.36272161 1.63867927 2.49691192 -4.00194527 -0.75677739 -2.99741747 11.93712019 1.13621051 2.79421257 -0.68661177 -0.03189083 -6.64644673 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.558E-8 1.466E-7 3.279E-7 7.3319999999E-7 0.0000016399999999 0.0000036659999999 0.000008198 0.00001833 0.00004099 0.00009165 76738-62-0 616765 144209277 A A Paclobutrazol OC(C(Cc1ccc(Cl)cc1)n2cncn2)C(C)(C)C Tox21_202079 -NCGC00258986-01 196706810 tox21-ror-cho-viability-p1 set1 4 2.61938369 1.61505496 3.36549054 3.92642932 0.69656315 3.00737166 0.14640949 0.17679592 3.96124999 0.36275686 1.39503689 1.60007986 -5.11730305 1.1495102 0.79605644 1.21E-9 2.706E-9 6.051E-9 1.353E-8 3.0259999999E-8 6.765E-8 1.5129999999E-7 3.3829999999E-7 7.564E-7 0.000001691 0.000003782 0.000008457 0.00001891 0.00004228 0.00009455 1702-17-6 15553 144208633 A A Clopyralid Clc1ccc(Cl)nc1C(=O)O Tox21_201435 -NCGC00259774-01 196706821 tox21-ror-cho-viability-p1 set1 4 -5.89056823 -3.57026347 -2.16992988 1.38570882 -5.00280429 -7.54449623 -8.00135701 -5.2781865 -1.50028477 -0.42917419 -1.73175156 -5.61666952 -8.82115208 -0.41884238 2.27865646 1.156E-9 2.585E-9 5.779E-9 1.292E-8 2.8899999999E-8 6.461E-8 1.4449999999E-7 3.231E-7 7.224E-7 0.000001615 0.000003612 0.0000080769999999 0.000018059999999 0.00004038 0.0000903 542-76-7 10963 144209423 A A 3-Chloropropionitrile ClCCC#N Tox21_202225 -NCGC00258840-01 196706825 tox21-ror-cho-viability-p1 set1 4 5.3542131665 14.355379268 -12.855379268 1.5 0.3 0.3657753966 0.3054947199 -14.04614939 -7.84271267 -12.95806564 -8.46676822 -10.36739332 -12.60706062 -9.76082062 -9.54127103 -5.93700895 -10.74196264 3.35699331 -4.39146295 -12.43813891 -4.86649192 0.3894776 1.163E-9 2.602E-9 5.817E-9 1.301E-8 2.909E-8 6.5039999999E-8 1.454E-7 3.252E-7 7.2719999999E-7 0.0000016259999999 0.000003636 0.00000813 0.00001818 0.00004065 0.000090889999999 106-37-6 7804 144208486 A F 1,4-Dibromobenzene Brc1ccc(Br)cc1 Tox21_201288 -NCGC00357184-01 196703526 tox21-ror-cho-viability-p1 set1 4 -0.36507858 1.80150092 0.67236652 2.32420668 -0.45122365 1.04083978 2.12345297 4.80862766 1.52786664 -1.54757063 1.50665714 5.11868849 2.97249394 0.16886615 0.26277514 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5405-41-4 62572 251919682 A Ethyl 3-hydroxybutyrate CC(O)CC(=O)OCC Tox21_303950 -NCGC00091483-03 196703108 tox21-ror-cho-viability-p1 set1 4 38.5707788719 -10.755130084 0 -10.755130084 1.0999999999 0.6457843475 0.067903479 0.21597253 0.41262758 -0.50434464 -0.73940624 -0.02141473 -0.62678418 0.34776919 4.18105202 -0.60819912 -1.79103282 1.07005708 -5.53556357 -0.49350114 -6.1541794 -8.12927507 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00260220-01 196703507 tox21-ror-cho-viability-p1 set1 4 -0.78531466 -2.7649727 -2.42152594 0.01035718 -10.73743521 -1.54197552 -8.78136034 -0.78989381 -0.24855351 1.60678355 -10.57038473 -1.49504717 -1.67561358 1.3242744 -3.07687314 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3079999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.000008269 0.000018489999999 0.00004135 0.00009245 879866-95-2 60196388 144209870 A A 1-Methyl-1-propylpiperidinium tetrafluoroborate CCC[N+]1(C)CCCCC1.F[B-](F)(F)F Tox21_202672 -NCGC00259856-01 196703511 tox21-ror-cho-viability-p1 set1 -1.1 5.498170782 -88.8100384612 -2.160317944 -90.9703564052 0.9999999999 0.9779719896 8.29E-8 -4.75097332 -5.38108735 -5.4300223 9.46682273 -7.07532992 -8.07739731 -1.59406004 -1.95182858 -10.00076411 -29.45654065 -39.49776322 -52.97740934 -68.76626854 -81.59304619 -87.13635671 1.189E-9 2.6589999999E-9 5.945E-9 1.3289999999E-8 2.9719999999E-8 6.646E-8 1.486E-7 3.323E-7 7.4309999999E-7 0.000001662 0.0000037149999999 0.0000083079999999 0.000018579999999 0.00004154 0.000092879999999 7778-50-9 24502 144209505 Potassium dichromate [K+].[K+].[O-][Cr](=O)(=O)O[Cr]([O-])(=O)=O Tox21_202307 -NCGC00258235-01 196702609 tox21-ror-cho-viability-p1 set1 4 0.0046932761 -13.0042842759 3 -10.0042842759 0.5999999999 0.6230675718 0.0949087709 1.61781756 -5.58954746 -3.23407275 -3.6572852 -9.13257298 -4.62346459 -12.50357023 -8.32294583 -6.22971239 -9.58943565 -12.44403079 -8.81242774 -11.68810661 -7.95080628 -3.82095087 1.1469999999E-9 2.5649999999E-9 5.7359999999E-9 1.2829999999E-8 2.868E-8 6.413E-8 1.434E-7 3.2069999999E-7 7.1709999999E-7 0.000001603 0.000003585 0.000008017 0.00001793 0.000040079999999 0.00008963 3030-47-5 18196 144207879 A F 1,1,4,7,7-Pentamethyldiethylenetriamine CN(C)CCN(C)CCN(C)C Tox21_200681 -NCGC00258186-01 196702203 tox21-ror-cho-viability-p1 set1 -3 59.3940547537 -48.415846636 -0.56411389 -48.979960526 1.713743691 0.8301625323 0.0039350139 8.62793337 -0.64511029 0.03709786 0.31693115 0.14803292 -3.90442687 -0.04735211 -0.0458452 -0.12996389 0.41940868 -6.68438042 -3.42108563 -13.15649733 -9.53696757 -37.01320553 1.152E-9 2.576E-9 5.7609999999E-9 1.288E-8 2.8799999999E-8 6.4409999999E-8 1.44E-7 3.22E-7 7.2009999999E-7 0.00000161 0.0000036 0.000008051 0.000018 0.000040249999999 0.00009001 452-86-8 9958 144207830 A A 4-Methylcatechol Cc1cc(O)c(O)cc1 Tox21_200632 -NCGC00258558-01 196702616 tox21-ror-cho-viability-p1 set1 -1.1 24.1880978209 -70.8490430492 -5.161143054 -76.0101861032 4.9549173134 0.9686800677 6.193E-7 -1.43076358 -5.02185835 -0.55286529 -0.49608416 -4.85858914 1.139036 -5.96258707 -6.71395509 -7.45699341 -6.93500761 -15.65726427 -8.94272028 -18.61363593 -75.47239454 -72.43836447 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.00009175 116-31-4 638015 144208203 A A Retinal CC=1CCCC(C)(C)C=1/C=CC(\C)=C\C=C\C(\C)=C\C=O Tox21_201005 -NCGC00258666-01 196702617 tox21-ror-cho-viability-p1 set1 4 6.15851046 -2.10126818 -2.14245795 0.1491325 -1.50407473 4.89401941 9.02819808 3.38386125 3.41225753 0.59664405 0.28683952 -1.16879811 1.85314085 -0.72717951 -1.50207201 1.1449999999E-9 2.559E-9 5.7229999999E-9 1.28E-8 2.861E-8 6.398E-8 1.431E-7 3.199E-7 7.154E-7 0.0000016 0.000003577 0.000007998 0.000017879999999 0.00003999 0.00008942 79-11-8 300 144208312 A A Chloroacetic acid ClCC(=O)O Tox21_201114 -NCGC00260063-01 196703435 tox21-ror-cho-viability-p1 set1 4 1.0924373 -0.38252712 -1.0797464 2.93000323 4.28202861 1.32985535 -0.56567569 2.36698806 2.31036167 1.62913681 -0.93777079 0.80767272 1.57514212 2.64331429 3.16160407 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.00009175 102-54-5 7611 144209712 A F Ferrocene [Fe+2].[c-]1cccc1.c1[c-]ccc1 Tox21_202514 -NCGC00260438-01 196703864 tox21-ror-cho-viability-p1 set1 4 3.75751958 0.61712124 4.12550155 0.30304656 0.50796648 0.19614925 3.06101572 2.99179269 2.57355718 5.94304888 2.00145172 0.59355268 3.12189414 0.67121898 4.01916621 1.2069999999E-9 2.699E-9 6.0359999999E-9 1.3499999999E-8 3.0179999999E-8 6.7479999999E-8 1.509E-7 3.3739999999E-7 7.5449999999E-7 0.000001687 0.0000037719999999 0.000008435 0.00001886 0.00004218 0.00009431 88-23-3 6927 144210090 A A 6-Amino-4-chloro-1-phenol-2-sulfonic acid OS(=O)(=O)c1cc(Cl)cc(N)c1O Tox21_202892 -NCGC00357021-01 196703868 tox21-ror-cho-viability-p1 set1 -2.4 38.5707788719 -22.0809743919 -1.5 -23.5809743919 1.6604358099 0.8656218572 0.0013617776 -0.93126182 -2.85066548 -3.56197794 -1.63396193 2.8968974 -4.4698119 -1.71998607 2.53041154 -1.04639664 -2.29224627 -2.08656756 -4.87173989 -7.04019358 -10.69544709 -21.31747866 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 53-41-8 5879 251919731 A Androsterone O=C4CC[C@@H]3[C@]4(C)CC[C@H]1[C@H]3CC[C@H]2C[C@H](O)CC[C@]12C Tox21_303701 -NCGC00094576-05 196704263 tox21-ror-cho-viability-p1 set1 4 -6.39698497 -3.37525992 -3.70504439 -4.38563667 -5.18838073 -4.25358998 -4.50518873 -5.25169428 -7.73620246 -4.56008828 -7.06657723 -8.77292626 -1.94580677 -4.8879532 0.89188764 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 546-88-3 1990 170465439 Z Acetohydroxamic acid CC(=O)NO Tox21_111301_1 -NCGC00178480-03 196704260 tox21-ror-cho-viability-p1 set1 4 -2.2008675 0.73667449 -2.02836533 -3.99396121 -2.64771343 0.14294612 -1.61842414 -0.27142208 -1.13544002 -5.54464601 -3.90310626 -5.37751907 -1.0426165 -1.83687839 3.90628746 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-94-3 16051918 170464882 A (+)-Tubocurarine chloride hydrochloride [Cl-].Cl.Oc7ccc1cc7Oc5cc6[C@H](Cc4ccc(Oc2c3[C@@H](C1)[N+](C)(C)CCc3cc(OC)c2O)cc4)N(C)CCc6cc5OC Tox21_112039_1 -NCGC00356995-01 196703063 tox21-ror-cho-viability-p1 set1 4 13.6854287769 -5.910239056 5.5 -0.410239056 1.4780888099 0.3849740655 0.2897333093 0.67515666 4.11803332 11.35706372 5.41685502 6.83223941 2.3174738 6.38989919 4.94626675 6.83723945 3.67826231 6.63567287 2.23796104 2.56148489 0.65586459 -0.34186588 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19660-16-3 29728 251919679 F 2,3-Dibromopropyl acrylate BrC(CBr)COC(=O)C=C Tox21_303936 -NCGC00260260-01 196703040 tox21-ror-cho-viability-p1 set1 -1.1 15.4490445948 -114.2854738054 2.0596539642 -112.2258198412 1.2221 0.9795639026 5.38E-8 1.38836549 5.56445182 0.5493681 4.42981669 0.33451166 2.03439956 -0.64472538 3.45049064 -1.2685538 -8.48186004 -9.45718968 -43.0188022 -50.49043417 -94.58727274 -97.41824639 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.6299999999E-8 1.4829999999E-7 3.315E-7 7.4129999999E-7 0.0000016579999999 0.0000037059999999 0.000008288 0.00001853 0.000041439999999 0.00009266 NOCAS_49391 60196397 144209910 A A Tributyltetradecylphosphonium dodecylbenzenesulfonate O=S([O-])(=O)c1ccccc1CCCCCCCCCCCC.CCCC[P+](CCCC)(CCCC)CCCCCCCCCCCCCC Tox21_202712 -NCGC00163818-04 196703050 tox21-ror-cho-viability-p1 set1 4 -0.81584068 0.1981248 -0.19651515 -2.67769132 -3.32159144 -3.3761145 2.75001174 3.1763867 0.37966817 -0.73667784 -0.35124159 -3.12086667 0.03928211 2.49865723 3.76618686 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00090708-05 196709660 tox21-ror-cho-viability-p1 set2 4 19.3311819617 -17.449579124 -0.5 -17.949579124 4.9549173134 0.957772354 0.0000033427 -3.41903085 0.94334245 -0.31183482 -0.92907846 -1.81114717 -0.11808141 -1.02267933 -0.40001433 -0.4140447 -0.35139713 -1.67259074 0.73624237 -7.83734774 -19.12464927 -16.14365694 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00259227-01 196708835 tox21-ror-cho-viability-p1 set2 -2.1 43.3211400593 -85.7831149942 1.8227091799 -83.9604058143 3.0654483358 0.9892389168 1.3E-9 4.34911566 -1.39054907 5.28775228 2.12915856 0.5857584 -0.29828001 2.01832899 0.49824171 0.90180816 -0.19149788 -0.44207159 3.39084742 0.62593861 -38.48070795 -76.48515592 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.952E-8 6.6E-8 1.476E-7 3.3E-7 7.379E-7 0.0000016499999999 0.0000036889999999 0.0000082499999999 0.000018449999999 0.00004125 0.000092239999999 20830-75-5 2724385 144208876 A A Digoxin O=C1C=C(CO1)[C@H]2CC[C@@]8(O)[C@]2(C)[C@H](O)C[C@H]4[C@H]8CC[C@@H]3C[C@H](CC[C@@]34C)O[C@@H]7O[C@H](C)[C@@H](O[C@H]6C[C@H](O)[C@H](O[C@H]5C[C@H](O)[C@H](O)[C@@H](C)O5)[C@@H](C)O6)[C@@H](O)C7 Tox21_201678 -NCGC00259696-01 196709648 tox21-ror-cho-viability-p1 set2 4 67.7148238733 -23.325278148 3.5 -19.825278148 1.92824246 0.7353410768 0.0243151263 4.81141508 0.59379745 3.89962959 -0.26149954 0.96328342 -1.37186993 5.52032015 7.5944521 3.80877951 5.90568783 6.8916669 3.86106388 -0.83066361 -2.81987816 -13.18773179 1.2849999999E-9 2.873E-9 6.425E-9 1.437E-8 3.213E-8 7.183E-8 1.606E-7 3.592E-7 8.031E-7 0.000001796 0.000004016 0.0000089789999999 0.000020079999999 0.000044899999999 0.0001004 7789-21-1 24603 144209345 Fluorosulfonic acid FS(=O)(=O)O Tox21_202147 -NCGC00259444-01 196709652 tox21-ror-cho-viability-p1 set2 4 -2.97803736 -3.44132868 -7.11039887 -5.07562508 -0.51653757 0.8241542 1.21066512 -0.74370258 -1.0863737 1.23295221 -3.19962336 -2.54357575 -3.62398323 -1.30053849 -1.91084076 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.9479999999E-8 6.591E-8 1.474E-7 3.295E-7 7.369E-7 0.000001648 0.000003684 0.000008239 0.00001842 0.00004119 0.00009211 90-72-2 7026 144209093 A Fns 2,4,6-Tris(dimethylaminomethyl)phenol Oc1c(cc(cc1CN(C)C)CN(C)C)CN(C)C Tox21_201895 -NCGC00258940-01 196709664 tox21-ror-cho-viability-p1 set2 4 2.02478992 0.00473471 3.24521228 2.26824586 2.39904806 1.88485289 2.75391046 -1.39085775 -0.06590526 -1.12936394 1.69305138 4.04892543 -0.11999204 0.52843275 1.03960337 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.961E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.000003701 0.000008275 0.0000185 0.00004137 0.000092519999999 101-61-1 7567 144208587 A A 4,4'-Methylenebis(N,N-dimethylaniline) CN(C)c2ccc(Cc1ccc(cc1)N(C)C)cc2 Tox21_201389 -NCGC00256023-01 196710058 tox21-ror-cho-viability-p1 set2 4 -3.16364518 -0.82695833 0.73315314 -2.92596389 -3.26861038 -0.40538635 -1.88671165 -2.04071744 0.20390526 -1.15689836 -2.52965768 0.6482386 0.0145425 1.64658406 -2.66249568 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 472-66-2 61124 144212601 Z F 2,6,6-Trimethyl-1-cyclohexene-1-acetaldehyde CC=1CCCC(C)(C)C=1CC=O Tox21_302284 -NCGC00255606-01 196710064 tox21-ror-cho-viability-p1 set2 4 1.79000684 3.58405139 1.81424095 3.01525232 2.38822148 4.21373915 1.51183294 0.84226695 0.78731639 0.41823273 -0.2868895 1.43115937 0.98087025 2.08378789 4.87073624 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4638-03-3 95402 144212555 B A 1-Allyloxy-3-chloro-2-propanol ClCC(O)COCC=C Tox21_302238 -NCGC00255328-01 196710075 tox21-ror-cho-viability-p1 set2 4 27.3060203028 12.7515428879 -0.2515428879 12.5 4.9549173134 0.9147385906 0.0001459249 2.10014188 -0.89715244 -0.39248889 -0.0716411 -0.63654626 -0.68037568 -1.61480674 -1.87628574 -0.50376062 -0.33019427 2.6060305 1.53608648 0.51209222 11.85181114 12.26361996 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51-41-2 439260 144212261 F Fns Norepinephrine Oc1ccc(cc1O)[C@@H](O)CN Tox21_301944 -NCGC00258440-01 196716165 tox21-ror-cho-viability-p1 set2 4 -4.87345404 0.08684096 -0.34181874 -4.35214254 -6.33781667 -4.33013633 2.44423763 -5.65653314 -4.35879497 -4.85683478 0.36875827 2.30327332 -4.99777522 1.05877441 1.63686124 1.552E-9 3.471E-9 7.7619999999E-9 1.736E-8 3.8809999999E-8 8.6779999999E-8 1.94E-7 4.339E-7 9.7019999999E-7 0.000002169 0.000004851 0.00001085 0.00002426 0.00005424 0.0001213 556-88-7 11174 144208084 Nitroguanidine N=C(N)N[N+]([O-])=O Tox21_200886 -NCGC00254948-01 196719492 tox21-ror-cho-viability-p1 set3 4 54.4272718766 12.86100916 -3.86100916 9 1.271561 0.5367213556 0.1482358739 -5.45080548 -2.63190091 0.33267956 -8.6341743 -1.39124462 -3.9472179 -4.40821515 -2.75866136 -3.13233472 -7.45059866 -0.90508885 -1.71788747 -0.98097694 -0.20383006 5.96513742 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 135410-20-7 213021 144211363 A A Acetamiprid Clc1ccc(CN(C)C(/C)=N\C#N)cn1 Tox21_301046 -NCGC00258753-01 196715741 tox21-ror-cho-viability-p1 set2 4 0.2727237 1.22243751 2.27708737 1.29018644 1.62499387 0.7214268 3.22999871 4.2434448 2.74613493 0.58743606 -2.77681814 0.04602195 1.36357162 -1.54650202 0.43865565 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.875E-8 6.429E-8 1.438E-7 3.215E-7 7.188E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.00004018 0.000089849999999 108-60-1 7944 144208399 A A Bis(2-chloro-1-methylethyl) ether CC(CCl)OC(C)CCl Tox21_201201 -NCGC00257591-01 196715747 tox21-ror-cho-viability-p1 set2 4 19.3705062815 -14.081510044 -1 -15.081510044 4.9549173134 0.8569656151 0.0018256765 1.17912669 -0.48186666 0.0996561 -1.73324302 -1.19623134 -2.65821299 -4.36535668 0.40067492 0.89813912 1.06696036 -4.43020343 -2.82049238 -6.00286927 -17.15125837 -13.02902388 1.182E-9 2.6429999999E-9 5.91E-9 1.322E-8 2.955E-8 6.608E-8 1.4779999999E-7 3.304E-7 7.388E-7 0.0000016519999999 0.0000036939999999 0.0000082599999999 0.000018469999999 0.000041299999999 0.00009235 1647-16-1 15439 144207235 FNS 1,9-Decadiene C=CCCCCCCC=C Tox21_200037 -NCGC00258344-01 196715749 tox21-ror-cho-viability-p1 set2 4 3.9609173 2.96065611 2.83860143 -0.03443499 3.03418981 0.2269497 3.03460796 1.06174625 4.79411046 -0.04295203 4.82710109 2.21270658 2.25096308 -0.15363402 1.58942593 1.237E-9 2.7659999999E-9 6.184E-9 1.383E-8 3.0919999999E-8 6.914E-8 1.5459999999E-7 3.457E-7 7.731E-7 0.000001729 0.000003865 0.000008643 0.000019329999999 0.00004321 0.000096629999999 74-97-5 6333 144207988 FC Bromochloromethane BrCCl Tox21_200790 -NCGC00090885-03 196716570 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -18.031595748 1 -17.031595748 4.9549173134 0.8211916858 0.0050019937 3.14246981 -0.10834193 -0.11839952 0.07108219 3.25929761 1.73240919 -1.71591422 3.30269698 3.13803729 -0.85722026 2.90484971 -0.64005388 -0.65458511 0.75319819 -13.77632979 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00258121-01 196716571 tox21-ror-cho-viability-p1 set2 4 3.40653414 2.44435112 -2.98080777 -0.42374471 0.55408467 1.30671703 1.98021107 1.54360637 0.43360454 0.39699241 -3.89133312 1.20182439 0.38628761 0.07441078 -0.63552469 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3079999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.000008269 0.000018489999999 0.00004135 0.00009245 2531-84-2 17321 144207765 A A 2-Methylphenanthrene Cc1cc2ccc3ccccc3c2cc1 Tox21_200567 -NCGC00258032-01 196716574 tox21-ror-cho-viability-p1 set2 4 1.1440891 1.39042798 -0.41661265 1.66183443 -0.05408916 4.10834691 0.38109642 0.28434376 3.58174882 3.31747194 5.07312332 -1.4189187 0.28866871 1.97208027 0.67512117 1.239E-9 2.771E-9 6.1949999999E-9 1.3849999999E-8 3.098E-8 6.927E-8 1.549E-7 3.4629999999E-7 7.7439999999E-7 0.0000017319999999 0.0000038719999999 0.0000086579999999 0.000019359999999 0.00004329 0.0000968 5856-63-3 2723856 144207676 A A (2R)-2-Aminobutan-1-ol CC[C@@H](N)CO Tox21_200478 -NCGC00258069-01 196716577 tox21-ror-cho-viability-p1 set2 4 2.6809908 0.67931925 3.45098054 1.60421109 2.62119553 2.79577055 -0.2854796 2.72218257 6.32382664 -0.74480714 2.97999325 7.38325311 2.43399014 2.5426337 4.64323147 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004107 0.00009184 128-44-9 656582 144207713 A A Sodium saccharin [Na+].O=C1[N-]S(=O)(=O)c2ccccc12 Tox21_200515 -NCGC00015467-20 196716975 tox21-ror-cho-viability-p1 set2 1.4 0.0211316824 22.249980476 -18.249980476 4 0.3 0.7974431119 0.0084399157 -14.37498373 -9.34065383 -13.72039662 -9.62469751 -1.09992054 -6.24599936 -4.45352809 -6.14654197 -2.38164511 -4.87949165 0.37534509 -0.46130618 -0.09190889 2.47402101 3.08555217 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10238-21-8 3488 170464964 A Glybenclamide O=C(NC1CCCCC1)NS(=O)(=O)c3ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc3 Tox21_110158_1 -NCGC00167527-03 196716999 tox21-ror-cho-viability-p1 set2 1.1 0.4730794415 94.477414317 -4.6087455234 89.8686687936 2.4063783767 0.9799395983 8.036E-7 -0.62923432 -1.00551942 -4.92966156 -7.80439171 -0.55289463 -4.27789338 -3.93468865 -0.97785537 19.31513867 76.48237977 97.89615337 84.04357731 75.67919407 81.81312292 70.37526577 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 161967-81-3 656829 170466148 A Grepafloxacin hydrochloride Cl.CC1CN(CCN1)c4cc2c(C(=O)C(=CN2C3CC3)C(=O)O)c(C)c4F Tox21_112524_1 -NCGC00091325-09 196717392 tox21-ror-cho-viability-p1 set2 -3 29.8492948118 -50.8363280919 0.2277696999 -50.608558392 4.0949729863 0.9308279114 0.0000483038 -0.50084424 -0.91804044 0.22731062 2.6419083 3.09816113 4.29850434 3.65969933 1.70908239 -0.3614152 0.046466 -0.51242815 -3.8447167 -8.37967977 -7.67463043 -43.42379866 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97-23-4 3037 170465475 B Dichlorophen Oc2ccc(Cl)cc2Cc1cc(Cl)ccc1O Tox21_111112_1 -NCGC00015045-09 196717393 tox21-ror-cho-viability-p1 set2 4 -4.28028594 -1.59426206 -3.02226009 2.1388898 -4.67675111 -1.13119685 -3.54586795 -0.22280726 -4.63888911 0.10362174 -2.61421225 -1.54196214 1.27714704 0.99528092 -0.82936378 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62-51-1 6114 170464971 Z Methacholine chloride [Cl-].C[N+](C)(C)CC(C)OC(=O)C Tox21_110348_1 -NCGC00259062-01 196705599 tox21-ror-cho-viability-p1 set1 4 -9.56266514 -2.60391294 -0.02831209 -4.771329 0.20688638 -3.56802082 -4.24077992 4.95218471 -0.96250777 -14.60055743 -4.23277912 -6.43175484 -2.1944886 2.14299483 0.45610497 1.198E-9 2.6779999999E-9 5.988E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.485E-7 0.0000016739999999 0.000003742 0.000008368 0.00001871 0.00004184 0.000093559999999 141-05-9 5271566 144208710 A Fc Diethyl maleate O=C(\C=C/C(=O)OCC)OCC Tox21_201512 -NCGC00090760-08 196708057 tox21-ror-cho-viability-p1 set1 -3 60.7577547203 -54.8464763053 2.0377126425 -52.8087636628 3.6272481694 0.9609470545 0.0000021469 1.81633545 -0.39211471 0.03094806 3.05978279 0.91222702 5.66998732 -1.62336983 2.97943294 4.90085925 -0.22733674 0.47025564 6.58759286 0.61641657 -8.80188262 -42.65815429 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00258940-01 196705610 tox21-ror-cho-viability-p1 set1 4 5.20493358 1.61995647 -0.05172956 -2.38105671 1.28772704 -0.03332214 -2.00686988 -2.56964036 0.4624945 15.39677014 3.47935997 0.7123521 0.91626788 3.01346833 -4.3557612 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.961E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.000003701 0.000008275 0.0000185 0.00004137 0.000092519999999 101-61-1 7567 144208587 A A 4,4'-Methylenebis(N,N-dimethylaniline) CN(C)c2ccc(Cc1ccc(cc1)N(C)C)cc2 Tox21_201389 -NCGC00259997-01 196705594 tox21-ror-cho-viability-p1 set1 4 0.16627449 -0.32132405 -0.14013427 7.87660585 1.02807949 -0.0904141 0.42750922 0.12264459 -17.07378224 -0.12863713 -4.38047156 6.95686086 -0.53601894 4.4644316 -0.64407953 1.1609999999E-9 2.5959999999E-9 5.805E-9 1.298E-8 2.9019999999E-8 6.4899999999E-8 1.451E-7 3.245E-7 7.256E-7 0.000001622 0.000003628 0.000008112 0.00001814 0.00004056 0.0000907 110-94-1 743 144209646 A A Pentanedioic acid O=C(O)CCCC(=O)O Tox21_202448 -NCGC00260008-01 196705607 tox21-ror-cho-viability-p1 set1 4 -0.68158373 4.2415529 2.02789496 -0.03720848 -1.96199913 0.15726137 -3.57178458 -4.44216236 -11.33161962 9.40476413 0.68396082 0.50426854 -0.32540002 -2.45768694 0.95750053 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.586E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009204 106-40-1 7807 144209657 A A 4-Bromoaniline Nc1ccc(Br)cc1 Tox21_202459 -NCGC00259914-01 196706002 tox21-ror-cho-viability-p1 set1 -2.1 54.5380840886 -96.8411540787 2.3882513259 -94.4529027528 2.9022712143 0.9820836801 2.51E-8 5.70924374 -1.57887135 0.31301594 0.39047642 3.73039912 1.88681556 5.15675513 2.5323622 2.29877525 8.8804392 -2.56651805 0.03995561 -1.7372155 -26.730883 -77.23704754 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.000041259999999 0.000092249999999 115-29-7 3224 144209563 Endosulfan ClC2=C(Cl)C3(Cl)C1COS(=O)OCC1C2(Cl)C3(Cl)Cl Tox21_202365 -NCGC00259027-01 196706008 tox21-ror-cho-viability-p1 set1 4 2.02435639 3.49464521 -0.00203679 1.2820698 1.45958338 -0.48023915 0.88220565 3.15876977 9.10961767 6.49537515 -0.31073424 0.47570379 2.29131935 3.08581134 3.08431289 1.1689999999E-9 2.6129999999E-9 5.843E-9 1.3069999999E-8 2.922E-8 6.5329999999E-8 1.461E-7 3.267E-7 7.304E-7 0.0000016329999999 0.000003652 0.000008166 0.00001826 0.000040829999999 0.0000913 105-55-5 2735009 144208674 A A N,N'-Diethylthiourea CCNC(=S)NCC Tox21_201476 -NCGC00259608-01 196706009 tox21-ror-cho-viability-p1 set1 4 -2.44069849 4.73246394 3.89607372 -1.70201006 0.93322995 3.14996465 -1.08526976 -2.31690626 2.68104741 0 -2.15352791 2.22012581 -2.40620489 2.00829958 0.17614554 1.166E-9 2.608E-9 5.832E-9 1.304E-8 2.9159999999E-8 6.5199999999E-8 1.458E-7 3.26E-7 7.2899999999E-7 0.0000016299999999 0.000003645 0.00000815 0.00001822 0.00004075 0.00009112 98-96-4 1046 144209257 A A Pyrazinamide NC(=O)c1cnccn1 Tox21_202059 -NCGC00259817-01 196706025 tox21-ror-cho-viability-p1 set1 -2.4 13.866553529 -25.7942258679 0.5 -25.2942258679 1.0999999999 0.8992484699 0.0003351999 0.49296168 -1.0956982 2.27863727 6.43261082 -0.11564438 -0.00022131 -1.22138203 0.32928475 -4.05491885 -0.58940419 -6.41043919 -6.60015882 -13.53074528 -24.41185489 -19.65274121 1.193E-9 2.6679999999E-9 5.9649999999E-9 1.3339999999E-8 2.982E-8 6.669E-8 1.491E-7 3.335E-7 7.456E-7 0.0000016669999999 0.000003728 0.000008336 0.00001864 0.00004168 0.0000932 120-61-6 8441 144209466 A A Dimethyl terephthalate COC(=O)c1ccc(cc1)C(=O)OC Tox21_202268 -NCGC00259312-01 196706026 tox21-ror-cho-viability-p1 set1 4 4.09322584 2.00084638 1.91812458 2.98675734 3.52767235 1.97540761 1.52190669 1.03387899 3.77519007 0 0.23157601 -0.58032984 -0.72105208 0.1006737 -0.98089302 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.000003681 0.00000823 0.000018399999999 0.00004115 0.00009201 933-75-5 13618 144208961 A A 2,3,6-Trichlorophenol Oc1c(Cl)ccc(Cl)c1Cl Tox21_201763 -NCGC00259367-01 196706418 tox21-ror-cho-viability-p1 set1 4 7.81077752 0.12553905 6.97945321 -0.32850586 7.91573025 2.93949361 2.37013697 0.27776744 0.7723415 5.52939554 2.89293277 0.96926798 2.69747695 1.32091729 -0.38284981 1.156E-9 2.586E-9 5.7819999999E-9 1.293E-8 2.891E-8 6.465E-8 1.446E-7 3.232E-7 7.228E-7 0.000001616 0.0000036139999999 0.000008081 0.000018069999999 0.000040409999999 0.000090349999999 138-86-3 22311 144209016 FC Limonene CC1=CCC(CC1)C(C)=C Tox21_201818 -NCGC00259676-01 196706425 tox21-ror-cho-viability-p1 set1 4 0.77164678 2.99459801 1.32730047 2.1133337 -1.57259135 -3.91536113 1.42367787 -5.04460433 3.81593177 0 0.47109807 3.23128951 0.35883576 1.84550423 1.37100767 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009203 50-81-7 54670067 144209325 A A L-Ascorbic acid OC=1C(=O)O[C@H]([C@@H](O)CO)C=1O Tox21_202127 -NCGC00259124-01 196706443 tox21-ror-cho-viability-p1 set1 4 0.2254120585 12.5405815479 -13.5405815479 -1 0.9999999999 0.6156056447 0.0860502113 -14.11627988 -7.05051873 -16.55385447 -19.61715129 -10.44715935 -6.58421481 -7.42211208 -10.19118618 -6.65559199 0 5.95517223 -3.79098364 -0.66841874 -6.53801368 -0.31561031 1.1069999999E-9 2.474E-9 5.533E-9 1.237E-8 2.766E-8 6.186E-8 1.383E-7 3.093E-7 6.916E-7 0.0000015459999999 0.000003458 0.000007732 0.00001729 0.000038659999999 0.00008645 107-30-2 7864 144208773 BC Fns Chloromethyl methyl ether COCCl Tox21_201575 -NCGC00259262-01 196706836 tox21-ror-cho-viability-p1 set1 4 4.14931711 7.16895282 1.62997419 2.78852925 0.60140337 -2.69443662 0.28153276 -0.17045574 -5.54718459 9.65126529 -4.70010585 0.83158114 0.80536418 0.16076855 2.00704946 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003667 0.000008201 0.00001834 0.000041 0.00009169 107-46-0 24764 144208911 FNS Hexamethyldisiloxane C[Si](C)(C)O[Si](C)(C)C Tox21_201713 -NCGC00253677-01 196704702 tox21-ror-cho-viability-p1 set1 4 2.34472564 -0.74350658 -0.23892799 -0.29801653 2.32644458 1.08444247 -0.60516249 2.16971735 -1.51626655 -0.72409558 0.87999479 -1.22467192 1.14345234 0.8495442 0.35832195 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23680-84-4 90235 170466738 A A 4-Amino-2-chloro-6,7-dimethoxyquinazoline Nc2nc(Cl)nc1cc(OC)c(cc12)OC Tox21_113801 -NCGC00258936-01 196706756 tox21-ror-cho-viability-p1 set1 4 -6.62692716 0.19236005 -4.06847752 0.14304053 0.39803725 -4.45681932 -3.36444606 1.51215247 3.62259303 18.57336363 2.83340895 3.18901855 -3.8516316 -0.1145684 -15.074037 1.185E-9 2.651E-9 5.927E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3129999999E-7 7.409E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009261 13292-46-1 5458213 144208583 A A Rifampicin CN1CCN(CC1)/N=C/c3c2NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)C=CO[C@@]5(C)Oc4c(C)c(O)c(c2O)c(c3O)c4C5=O Tox21_201385 -NCGC00259294-01 196706780 tox21-ror-cho-viability-p1 set1 4 5.09263827 -0.04322506 1.00908168 4.5765089 4.2990249 2.79755138 0.42060249 0.48864198 -2.44374636 8.41061725 4.5262446 -0.19856048 1.865068 1.29428265 0.0623659 1.167E-9 2.61E-9 5.836E-9 1.305E-8 2.918E-8 6.525E-8 1.459E-7 3.262E-7 7.295E-7 0.000001631 0.0000036469999999 0.000008156 0.000018239999999 0.00004078 0.00009118 102-76-1 5541 144208943 A A Triacetin O=C(C)OC(COC(C)=O)COC(=O)C Tox21_201745 -NCGC00015755-10 196705137 tox21-ror-cho-viability-p1 set1 4 2.40512698 -2.5416659 -5.85079723 2.34993905 1.63976088 -0.06222934 -3.35602101 2.77358649 -0.52014093 -5.19978199 1.50051321 1.589111 -0.56460226 1.89412473 -2.82935006 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 42471-28-3 39214 170466029 A Nimustine Nc1nc(C)ncc1CNC(=O)N(CCCl)N=O Tox21_110214_1 -NCGC00015092-10 196704709 tox21-ror-cho-viability-p1 set1 4 33.4914596268 11.4000746639 -0.4000746639 11 3.2974983358 0.7828187941 0.0116868501 1.04824865 1.00973902 0.85148271 -0.5297141 -1.2633412 -0.76641887 -0.15206113 -3.25006222 -0.15570082 0.17825697 0.79948841 -1.0187604 0.86789529 1.4521617 8.10721098 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60-32-2 564 170465057 F Aminocaproic acid NCCCCCC(=O)O Tox21_110081_1 -NCGC00024717-08 196704714 tox21-ror-cho-viability-p1 set1 4 1.0590929458 5.7539737959 -0.2539737959 5.5 4.9549173134 0.6444613497 0.0684721104 -1.71319453 1.31372278 0.04128571 0.0655039 -2.71164483 -0.14217337 -0.30272418 -0.21382959 0.71616784 0.66653971 5.46544461 5.74108398 5.34726709 0.28250281 9.76272612 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50903-99-6 39836 170466867 Z L-NAME N[C@@H](CCCNC(\N)=N\[N+]([O-])=O)C(=O)OC Tox21_110920_1 -NCGC00263584-01 196705538 tox21-ror-cho-viability-p1 set1 4 3.33981132 0.78158039 2.87945366 0.97224507 -4.47335361 0.24624037 -0.38078671 2.56704557 1.18711315 2.98071678 0.79902639 0.96448603 1.15712332 3.76800434 0.65085158 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 150915-40-5 60946 170465092 A Tirofiban hydrochloride monohydrate Cl.O.O=C(O)[C@@H](NS(=O)(=O)CCCC)Cc1ccc(cc1)OCCCCC2CCNCC2 Tox21_112980_1 -NCGC00259991-01 196705956 tox21-ror-cho-viability-p1 set1 -2.2 27.1949826514 -64.3835293818 -1.494391527 -65.8779209088 1.4780888099 0.9797618569 5.09E-8 -2.89583765 2.15626535 -1.7936879 -4.70182556 -1.46329496 0.88267577 -0.16136492 -5.4292857 -2.77364207 1.46626418 -2.98424308 -10.33407399 -27.93661594 -40.31692334 -57.78764992 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 87-10-5 14868 144209640 A B Tribromsalan Oc1c(cc(Br)cc1Br)C(=O)Nc2ccc(Br)cc2 Tox21_202442 -NCGC00259692-01 196705957 tox21-ror-cho-viability-p1 set1 4 2.99570686 -2.5664112 -6.20008654 0.99376395 -3.85663151 2.31665698 -5.65192165 0.44829649 -8.31387364 -0.22692789 -4.59810389 -0.67222255 2.29863301 1.66423577 0.26259714 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.000092909999999 100-64-1 7517 144209341 A A Cyclohexanone oxime O\N=C1/CCCCC1 Tox21_202143 -NCGC00258952-01 196705961 tox21-ror-cho-viability-p1 set1 4 -2.89270459 -5.32197067 -1.36689176 -0.5800867 0.7765759 0.23843241 -0.40368822 0.64884439 -4.41140925 1.83952285 -4.45016352 -1.15668456 -5.32815913 -3.07324605 -0.19741339 1.195E-9 2.671E-9 5.973E-9 1.336E-8 2.987E-8 6.678E-8 1.493E-7 3.3389999999E-7 7.467E-7 0.0000016699999999 0.000003733 0.000008348 0.00001867 0.00004174 0.000093329999999 2855-13-2 17857 144208599 D Isophorone diamine NCC1(C)CC(C)(C)CC(N)C1 Tox21_201401 -NCGC00259120-01 196705969 tox21-ror-cho-viability-p1 set1 4 -12.80418116 -5.94898338 -11.13953456 -8.64512987 -11.36381848 -5.61056565 -2.47336548 -9.75256559 -8.72205394 -9.45703702 -14.18470814 -4.79379838 -10.2235822 -6.38236333 -2.69282912 1.2069999999E-9 2.699E-9 6.034E-9 1.349E-8 3.017E-8 6.747E-8 1.509E-7 3.373E-7 7.5429999999E-7 0.000001687 0.0000037709999999 0.0000084329999999 0.00001886 0.00004217 0.00009429 625-45-6 12251 144208769 A A Methoxyacetic acid O=C(O)COC Tox21_201571 -NCGC00259759-01 196706381 tox21-ror-cho-viability-p1 set1 4 68.7989315376 24.488915316 -6.488915316 18 4.0949729863 0.4897537633 0.1875615734 -3.29489831 -5.8947981 -11.79477968 -15.18048348 -2.2608274 -11.93477109 -2.75094735 -8.64044037 -6.06109392 -15.40742943 1.21990504 -4.15192786 -0.66484566 -4.0665192 12.46008269 1.183E-9 2.6459999999E-9 5.916E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.395E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 85-43-8 6810 144209408 A A Tetrahydrophthalic anhydride O=C1OC(=O)C2CC=CCC12 Tox21_202210 -NCGC00357062-01 196724630 tox21-ror-cho-viability-p1 set3 -1.1 2.1689942904 -65.2411656615 1.2671710959 -63.9739945656 1.1340999999 0.9917465579 3E-10 -0.45258077 -2.88754689 1.05213055 2.09942607 0.43067021 0.04521694 3.92644222 -3.32277818 -16.46628466 -27.9271764 -37.62513047 -53.42462678 -59.43527509 -61.40592207 -63.40184682 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122454-29-9 183559 251919761 A Tralopyril Brc1c(C#N)c(nc1C(F)(F)F)c2ccc(Cl)cc2 Tox21_303769 -NCGC00260182-01 196711735 tox21-ror-cho-viability-p1 set2 2.4 60.8819825247 30.590111804 2.909888196 33.5 2.7202212143 0.9112331987 0.0001775994 0.72175241 -0.07509317 3.77155789 3.20787024 0.24448986 5.97052089 3.97112226 4.77237607 4.08629054 4.59785929 0.45573925 5.01172755 4.37544021 9.80996741 26.30016675 1.1759999999E-9 2.631E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.576E-8 1.471E-7 3.288E-7 7.3529999999E-7 0.0000016439999999 0.000003676 0.00000822 0.000018379999999 0.0000411 0.000091909999999 292140-86-4 50878556 144209832 A 1-Ethyl-2,3-dimethylimidazolium hexafluorophosphate C[n+]1ccn(CC)c1C.F[P-](F)(F)(F)(F)F Tox21_202634 -NCGC00181913-02 196725041 tox21-ror-cho-viability-p1 set3 -2.4 13.3331902297 -27.667388648 4 -23.667388648 1.287561 0.8046789951 0.0072061251 2.76134139 0.28708119 0.86746362 0.69194004 0.10754222 6.10212911 11.73444122 7.52087039 1.18112967 8.95219541 1.22983412 -4.01284741 -5.30078526 -11.7807733 -21.38949054 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14587-50-9 208836 144206884 A A Difeterol OC(C(C)N(C)CCOC(c1ccccc1)c2ccccc2)c3ccccc3 Tox21_113333 -NCGC00091839-03 196724632 tox21-ror-cho-viability-p1 set3 4 17.2289340586 -18.452377248 3.5 -14.952377248 3.5117481694 0.8611396286 0.001583338 -2.73937671 2.09939701 2.83865063 3.82073195 3.15600651 5.07380741 5.79249649 4.41674712 1.68970096 0.60563898 7.778544 5.22669023 -8.13125996 -12.6478053 -15.37698104 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00167453-02 196725033 tox21-ror-cho-viability-p1 set3 4 -1.51024819 -2.72183216 2.03887554 -1.52517346 -0.34363283 -2.44081006 -0.76236559 1.74226008 -7.50649981 -5.05663568 -3.57653785 -1.0846552 0.84737523 0.10305718 0.66699155 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 30299-08-2 2787 170465771 A Clinofibrate O=C(O)C(C)(CC)Oc1ccc(cc1)C2(CCCCC2)c3ccc(OC(C)(CC)C(=O)O)cc3 Tox21_112457_1 -NCGC00015889-11 196725050 tox21-ror-cho-viability-p1 set3 4 0.41805479 0.35862227 -0.65233247 9.26492012 6.01299559 -0.83166692 18.6350595 0.96009205 7.14455155 13.19030214 5.2535522 0.70230325 1.85064527 15.77798196 8.38718036 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82640-04-8 54900 170465341 A Raloxifene hydrochloride Cl.Oc1ccc(cc1)c3sc2cc(O)ccc2c3C(=O)c5ccc(OCCN4CCCCC4)cc5 Tox21_110255_1 -NCGC00182061-03 196725055 tox21-ror-cho-viability-p1 set3 4 4.57005303 3.34643319 0.57896137 2.11825888 2.74825164 5.89212416 6.52415542 7.26933025 -0.53830169 7.62810248 1.6903502 -1.49863066 2.45377462 -0.06885663 0.72505185 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 20684-06-4 68549 170466079 A Bamifylline Hydrochloride Cl.CCN(CCO)CCn2c3C(=O)N(C)C(=O)N(C)c3nc2Cc1ccccc1 Tox21_113133_1 -NCGC00160653-03 196725453 tox21-ror-cho-viability-p1 set3 4 0.0237101377 11.36264258 -9.36264258 2 4.9549173134 0.4625347154 0.2123760004 -0.8593281 -8.89147313 -12.19708285 -11.77606104 -12.80241597 4.14032651 6.27893184 -14.05220215 0.03834144 7.09037473 1.51367421 7.25484318 6.07949506 0.82840373 1.00512169 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3567-08-6 234310 170466260 A Glysobuzole O=S(=O)(Nc1nnc(CC(C)C)s1)c2ccc(OC)cc2 Tox21_111959_1 -NCGC00344560-01 196725454 tox21-ror-cho-viability-p1 set3 4 1.25441263 1.81815527 4.85424099 -1.33376324 0.05585077 0.02352824 -2.30261849 -0.0114933 -0.96767893 -3.11676938 -0.58663997 -0.00511296 -3.79783332 -4.11901767 -0.31191101 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 566-48-3 11273 170466203 A 4-Hydroxyandrostenedione O=C2CC[C@H]3[C@@H]4CCC1=C(O)C(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_112111_1 -NCGC00263570-01 196725872 tox21-ror-cho-viability-p1 set3 4 0.0023710138 9.1676736079 -11.1676736079 -2 4.9549173134 0.5800135332 0.1125478639 -8.22878223 -14.72306134 -2.6187261 -1.44065261 -4.80559085 2.7428237 -1.17382129 -3.3194357 -2.45515421 -4.31199482 -0.65237489 -5.28388435 2.34952077 -4.26648628 -3.09812373 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 201677-61-4 23663985 170465996 F Sivelestat sodium tetrahydrate [Na+].O.O.O.O.O=S(=O)(Nc1ccccc1C(=O)NCC([O-])=O)c2ccc(OC(=O)C(C)(C)C)cc2 Tox21_112570_1 -NCGC00014670-17 196726286 tox21-ror-cho-viability-p1 set3 4 0.48029683 -5.74407838 -0.58132439 -3.54243675 -3.28396396 -2.5401814 -2.27365586 -3.89158841 -9.79903836 -4.89249279 -4.997771 -0.34722965 -6.85417732 -5.65500939 1.08708488 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57808-66-9 3151 170465594 A Domperidone Clc4cc5NC(=O)N(C3CCN(CCCN1c2ccccc2NC1=O)CC3)c5cc4 Tox21_110056_1 -NCGC00091120-13 196726291 tox21-ror-cho-viability-p1 set3 4 2.98705267 3.1186511 -0.8046645 2.78426154 8.97767064 -0.40422222 5.70229888 5.28955613 -4.56399901 2.62280852 7.56297458 2.26897192 -3.00463212 6.63932998 1.93219362 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 126-07-8 441140 170465739 A Griseofulvin O=C2c3c(O[C@]12C(=CC(=O)C[C@H]1C)OC)c(Cl)c(OC)cc3OC Tox21_111087_1 -NCGC00160611-03 196717813 tox21-ror-cho-viability-p1 set2 4 0.16388604 1.05633336 1.02197799 4.92374181 3.75732028 2.71837638 5.0011087 7.66439357 3.14280288 0.97041795 0.51298114 0.10260444 0.29006397 0.90835557 0.67712063 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2687-91-4 17595 170465488 A 1-Ethyl-2-pyrrolidinone O=C1CCCN1CC Tox21_111935_1 -NCGC00253696-01 196717402 tox21-ror-cho-viability-p1 set2 4 0.1333319023 7.0110232919 -6.0110232919 1 4.9549173134 0.5799694764 0.1272267563 1.98106712 -6.79988932 -8.62933299 -9.59251941 -5.55384055 -6.71375492 -6.54300249 -0.30611028 2.41332286 3.05840071 2.60693853 2.01664057 -0.23563716 -3.65586819 -4.67269049 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84-19-5 5805243 170466708 A A Dienestrol diacetate O=C(C)Oc1ccc(cc1)/C(=C\C)C(=C\C)\c2ccc(OC(C)=O)cc2 Tox21_113818 -NCGC00168342-02 196717416 tox21-ror-cho-viability-p1 set2 4 1.88664488 1.41209066 0.74729008 5.21969534 3.45826476 4.22598787 5.63848794 4.36635481 2.64538641 0.28586536 3.65982723 1.71902869 1.20805864 0.21207214 -0.23938221 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00159449-04 196717807 tox21-ror-cho-viability-p1 set2 4 0.0668242473 5.53843902 -5.53843902 0 3.1319983358 0.5503506077 0.1525400291 -6.0654109 -6.53008105 -7.93591615 -3.36443488 -1.58276248 -8.36536585 -0.33495447 -3.05903475 4.85343169 -1.10043818 -0.37784411 -0.45398828 -1.48877693 0.00726806 -4.34678438 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82-99-5 11061 170466519 A Thiphenamil CCN(CC)CCSC(=O)C(c1ccccc1)c2ccccc2 Tox21_111675_1 -NCGC00163953-03 196717816 tox21-ror-cho-viability-p1 set2 -2.2 61.130564862 -50.858778141 -3.353327177 -54.212105318 3.1319983358 0.9165438195 0.0001287066 -1.67151076 -5.93569755 -7.62231141 -0.08903022 -1.86042147 0.56955562 -5.41802913 0.13421437 -1.37903072 -9.45928733 -7.10511549 -3.13427522 -1.21382692 -15.54654783 -42.96371615 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00253647-01 196717830 tox21-ror-cho-viability-p1 set2 4 0.81188831 -0.4916036 2.03902379 2.76584588 4.48967973 3.3790375 3.91076295 6.36636062 1.21641083 2.18341927 2.37364075 2.84600044 -0.24986644 1.93716107 1.36779054 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64987-03-7 2733245 170466756 A A Ethyl (2-formamido-1,3-thiazol-4-yl)glyoxylate O=CNc1nc(cs1)C(=O)C(=O)OCC Tox21_113773 -NCGC00257067-01 196718225 tox21-ror-cho-viability-p1 set2 4 0.47263401 -1.06015439 1.2154154 1.93368484 3.78935695 1.62781941 -0.98998707 -1.62902049 -0.48344661 1.49668932 1.75619352 5.33946432 2.27886441 1.94431071 4.08028971 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 929-06-6 13578 144213480 Ac Ac 2-(2-Aminoethoxy)ethanol NCCOCCO Tox21_303163 -NCGC00257342-01 196718237 tox21-ror-cho-viability-p1 set2 -3 60.1920516177 -87.60799559 -6.470831644 -94.078827234 4.9549173134 0.9444322824 0.0000149347 -5.05467734 -4.1768059 -4.32978984 -7.921955 -13.21316222 -14.06828678 -10.7159576 -9.62748948 -1.94106001 -6.24527364 -2.24151679 -1.99416223 0.04258054 -9.78808984 -74.6657359 9.615E-10 2.15E-9 4.807E-9 1.0749999999E-8 2.404E-8 5.3749999999E-8 1.202E-7 2.6869999999E-7 6.0089999999E-7 0.000001344 0.0000030049999999 0.000006719 0.000015019999999 0.00003359 0.00007512 825643-57-0 60196441 144213906 A PharmaGSID_48513 FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(C)(C)C(=O)N(C)c2cnc(cc2c3ccc(F)cc3C)N4CC[C@@H](O)[C@H]4CO Tox21_303601 -NCGC00257251-01 196718247 tox21-ror-cho-viability-p1 set2 4 -3.93867801 -0.14863669 -0.82562126 0.03547104 -10.46601983 -8.77661306 -4.47692335 -0.97713499 -6.29596311 -2.19788016 -10.39102638 -0.58763671 0.01950019 -0.54505642 -3.50595087 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_48509 10287749 144213890 F A PharmaGSID_48509 O=C(C1CCNCC1)N2CCC(CC2)N(CCC)[C@H]3Cc4cc(OC)ccc4CC3 Tox21_303585 -NCGC00257428-01 196718640 tox21-ror-cho-viability-p1 set2 4 0.69370138 0.57802131 -0.02306019 -0.34722467 0.02207623 3.68837523 -2.01298765 3.12150313 -0.02805579 1.99824754 2.71342641 -3.32197067 -0.16574334 0.73520888 -3.03543174 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1143-72-2 70837 144213688 A A 2,3,4-Trihydroxbenzophenone Oc2ccc(C(=O)c1ccccc1)c(O)c2O Tox21_303374 -NCGC00256708-01 196719066 tox21-ror-cho-viability-p1 set2 -2.1 29.8492948118 -76.9188219839 -3.082572684 -80.0013946679 4.0949729863 0.9870264135 3.8E-9 -7.68798236 -2.40210664 -2.85719434 -0.60526345 -6.36339176 -2.87198784 -0.60997797 -2.83820552 -5.05442428 -3.42384908 -1.39538685 -2.61332445 -4.49679977 -15.90787574 -69.16782889 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 8028-48-6 144212914 M M Orange terpenes Tox21_302597 -NCGC00164127-03 196719078 tox21-ror-cho-viability-p1 set2 -2.1 54.4826732819 -90.4753886594 -3.219270271 -93.6946589304 1.8851180601 0.9700125099 4.842E-7 -3.24562214 1.19674931 -4.20362766 1.21133616 -6.81636869 -3.82934378 -3.68792408 -4.16586144 1.21190049 -3.34660466 -10.53575482 -2.36452453 -18.01510275 -36.29380212 -70.98080222 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00257025-01 196707672 tox21-ror-cho-viability-p1 set1 4 -0.86056708 -10.04013806 -6.79426066 -12.21607385 1.95927411 -0.42095401 -13.46438097 -11.91041426 1.14124422 -16.83089901 -11.76853932 -1.94975074 -8.36425837 -9.89056714 -0.87035366 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-98-5 8087 144213411 A A 1,1'-Oxybis-2-propanol CC(O)COCC(C)O Tox21_303094 -NCGC00256740-01 196707250 tox21-ror-cho-viability-p1 set1 -2.2 34.3762428541 -52.2538830388 -4.296792131 -56.5506751698 0.9999999999 0.8596974507 0.0016531536 3.08643308 -8.63987001 -0.17653904 -1.24559088 -11.68740716 -12.71910216 1.38605496 -8.30342032 -1.92172886 -2.16010829 -10.13530063 -17.92548594 -23.3509985 -28.878174 -44.88148823 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 30124-94-8 121639 144212827 A Ac Disperse Red 82 CC(=O)OCCN(CCOC(C)=O)c2ccc(/N=N/c1ccc(cc1C#N)[N+]([O-])=O)cc2 Tox21_302510 -NCGC00257479-01 196707264 tox21-ror-cho-viability-p1 set1 4 0.1368542878 6.048159 -2.548159 3.5 2.3331733767 0.4606324407 0.2156818777 0.78181237 -1.11907586 1.41613917 -7.5401325 -7.05795035 -0.17314002 1.09661255 0.78326937 6.04435486 0.03636256 3.21347111 2.21379368 0.75365313 6.25567718 6.81264589 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 1118-46-3 14236 144213888 F A Butyltin trichloride CCCC[Sn](Cl)(Cl)Cl Tox21_303583 -NCGC00257418-01 196707274 tox21-ror-cho-viability-p1 set1 4 4.75446821 4.3223018 1.42808431 -1.58272719 1.24097506 0.36219045 1.24242366 2.04225078 -1.4203563 1.37942718 -2.41820236 0.50903424 3.9774494 -2.058699 3.95513282 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-31-9 7985 144213775 A Ac Dihexyl nonanedioate O=C(CCCCCCCC(=O)OCCCCCC)OCCCCCC Tox21_303465 -NCGC00257224-01 196707678 tox21-ror-cho-viability-p1 set1 4 0.0054482673 4.3557933159 -3.3557933159 1 4.9549173134 0.4044073591 0.2735212833 0.65407191 -7.79649443 -0.35126026 1.4712289 -0.83481839 2.81971536 0.57991912 0.23319581 0.49718077 0.8535707 2.27084893 1.61385977 0.5889366 1.47336531 -0.73745468 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 541-02-6 10913 144213487 Ac Fns Decamethylcyclopentasiloxane C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 Tox21_303170 -NCGC00256751-01 196707687 tox21-ror-cho-viability-p1 set1 4 27.3060203028 14.429532744 -2.429532744 12 1.8079476909 0.7620630988 0.0162226431 -6.46000614 -0.76290372 0.48564192 -3.07097106 -0.12647809 -2.20176562 -2.41354033 -0.53549313 -2.29499966 -8.27461062 -3.31817925 -0.16693879 2.41922206 6.97402903 10.73380465 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-98-2 8499 144212999 A F Methyl 4-methoxybenzoate COc1ccc(cc1)C(=O)OC Tox21_302682 -NCGC00257144-01 196708082 tox21-ror-cho-viability-p1 set1 4 5.79094052 0.60023304 -3.21293509 3.47094421 6.58782129 5.50015406 4.84943288 3.06925243 -2.76852959 3.28153464 5.72141368 2.41428112 4.94689083 1.01278332 1.92170945 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-90-5 7355 144213470 A F Ethylene glycol dimethacrylate O=C(OCCOC(=O)C(=C)C)C(=C)C Tox21_303153 -NCGC00257074-01 196708094 tox21-ror-cho-viability-p1 set1 4 6.4816498756 4.685000836 -0.185000836 4.5 4.9549173134 0.5896997017 0.1072479279 -0.16861724 1.4721933 1.97485114 0.02925291 -1.01480387 -0.46565818 -4.32083403 0.03636796 1.98770856 0.7525106 -0.97699092 4.45314705 4.67952189 2.41966791 5.77298566 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 1571-08-0 15294 144213619 A F Methyl 4-formylbenzoate COC(=O)c1ccc(cc1)C=O Tox21_303302 -NCGC00256394-01 196708096 tox21-ror-cho-viability-p1 set1 -2.4 0.4327712569 -16.722569492 -5.8109650319 -22.5335345239 0.5 0.7195195728 0.0300226191 -7.06199667 -8.27385936 -4.84247086 -5.42796767 -13.01232728 -16.09866462 -12.49626895 -5.26872351 -14.25050728 -21.08584312 -19.07141409 -19.44433592 -19.69331617 -22.11127877 -19.6701574 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 75-47-8 6374 144213091 AC Iodoform IC(I)I Tox21_302774 -NCGC00257332-01 196708097 tox21-ror-cho-viability-p1 set1 -2.1 40.3212779718 -77.4669166062 -7.069249461 -84.5361660672 3.1319983358 0.8590846988 0.0016859362 -6.13700737 -7.23008166 -2.84830187 3.24085365 -7.90168789 -15.39377698 -16.8705439 -9.78781993 -13.97454003 -17.53593866 -11.63391159 -10.74868328 -9.52540107 -20.47307974 -67.45164096 7.579E-10 1.6949999999E-9 3.789E-9 8.473E-9 1.895E-8 4.2369999999E-8 9.4729999999E-8 2.1179999999E-7 4.737E-7 0.000001059 0.0000023679999999 0.000005296 0.00001184 0.00002648 0.00005921 68392-35-8 63062 144213959 I I 4-Hydroxytamoxifen Oc1ccc(cc1)C(c2ccc(OCCN(C)C)cc2)=C(CC)c3ccccc3 Tox21_303657 -NCGC00164449-04 196706036 tox21-ror-cho-viability-p1 set1 4 0.0769588215 9.3912460639 -9.8912460639 -0.5 2.4063783767 0.4263820785 0.2465944869 -5.31359995 -2.94639327 -18.65937172 -17.41849182 -2.98666346 -8.16710007 -1.15270982 1.40430792 0.53541248 -4.18226378 -4.63201895 -2.09160559 -0.75951267 8.74381162 -2.44384482 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00259215-01 196705614 tox21-ror-cho-viability-p1 set1 4 -0.19105678 0.93541211 -4.25692649 -4.44011748 -2.62654287 -6.58463092 1.17503918 -2.4928009 0.85481196 -6.70754531 -4.98737434 -0.76456856 -8.25420183 0.83536277 1.76427009 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 4433-79-8 78170 144208864 A C N-(4-Chloro-2,5-dimethoxyphenyl)-3-oxobutanamide COc1cc(NC(=O)CC(C)=O)c(cc1Cl)OC Tox21_201666 -NCGC00256937-01 196707205 tox21-ror-cho-viability-p1 set1 4 0.49532656 -2.6372585 -0.40015735 0.43352457 -7.53081127 1.35040859 -7.12821646 -0.78454931 -0.36261274 0.51364938 -16.51791846 1.13946769 3.10403384 -0.23918763 3.86171671 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-27-0 8042 144213488 A Fns Isopropyl tetradecanoic acid CC(C)OC(=O)CCCCCCCCCCCCC Tox21_303171 -NCGC00256824-01 196707199 tox21-ror-cho-viability-p1 set1 4 -0.41554978 1.73458208 2.85281492 1.06373362 -0.96639362 -1.37979802 5.7869244 2.45600855 -1.61257379 0.13996584 1.89232543 11.00344144 -0.05825722 2.2230339 7.68953167 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-39-4 342 144212962 A A m-Cresol Cc1cc(O)ccc1 Tox21_302645 -NCGC00256372-01 196707203 tox21-ror-cho-viability-p1 set1 4 -0.88621228 -3.66537253 0.83454708 -12.4342435 -3.84884165 -9.51169352 -1.30176681 -11.32628051 -0.84920152 -15.19757737 -9.75351594 -1.48226458 -6.16240565 -1.46329035 -0.11251287 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 1936-15-8 9566064 144213336 A A C.I. Acid Orange 10 [Na+].[Na+].[O-]S(=O)(=O)c3cc(cc2ccc(O)c(/N=N/c1ccccc1)c23)S([O-])(=O)=O Tox21_303019 -NCGC00256847-01 196707204 tox21-ror-cho-viability-p1 set1 4 1.58317087 -1.03421553 -2.53790215 -3.38629442 -2.93447804 -1.31251629 -1.25165037 -1.6328302 0.60972577 10.42986273 -3.01929937 -0.1313988 -1.21816196 1.01126222 3.23126462 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 32780-64-6 71412 144213042 A A Labetalol hydrochloride Cl.O=C(N)c1cc(ccc1O)C(O)CNC(C)CCc2ccccc2 Tox21_302725 -NCGC00257283-01 196707627 tox21-ror-cho-viability-p1 set1 4 0.0096885416 -9.1003346039 -1.5 -10.6003346039 2.7202212143 0.3433492588 0.3265179366 -0.6741136 -4.34694479 0.19921918 -8.54188738 -17.30907017 -15.68505154 -3.19147512 -4.80254109 -14.82720161 -17.58361217 -3.53882881 -9.06764078 -8.80932247 -7.49223767 -12.05875853 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 797-63-7 13109 144213960 A A Norgestrel O=C4CC[C@H]3C(CC[C@@H]2[C@@H]3CC[C@@]1(CC)[C@H]2CC[C@@]1(O)C#C)=C4 Tox21_303658 -NCGC00257371-01 196707630 tox21-ror-cho-viability-p1 set1 4 43.2771256911 10.9449893319 -0.4449893319 10.5 2.7202212143 0.5694092211 0.1213103717 0.77502343 -2.78025143 -2.71528527 0.00049947 -1.30281394 -0.18379997 2.09201516 0.81455071 4.72549518 1.5926303 -3.28749111 -1.72915389 -2.99706902 6.21867221 8.73322395 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51-24-1 5803 144213850 A Tiratricol O=C(O)Cc2cc(I)c(Oc1cc(I)c(O)cc1)c(I)c2 Tox21_303544 -NCGC00257064-01 196708050 tox21-ror-cho-viability-p1 set1 4 3.59660855 3.144632 5.45071353 5.33731236 0.78212727 4.69611007 0.54344012 9.26755523 15.96223384 5.25440424 0.4137917 8.89217188 6.4648282 3.7320051 13.86811391 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1333-39-7 11867 144213413 A A Phenolsulfonic acid Oc1ccccc1S(O)(=O)=O Tox21_303096 -NCGC00256606-01 196708051 tox21-ror-cho-viability-p1 set1 4 0.15154797 3.12424016 1.2136631 0.86795967 0.78332566 0.2885305 -0.15073047 2.40036691 0.7688283 3.50277328 0.06412981 1.54993657 4.02141478 -2.04478859 1.5581413 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131-56-6 8572 144213182 A A 2,4-Dihydroxybenzophenone O=C(c1ccc(O)cc1O)c2ccccc2 Tox21_302865 -NCGC00256561-01 196708054 tox21-ror-cho-viability-p1 set1 4 0.1722893406 4.180236216 -1.680236216 2.5 2.09374246 0.3752031457 0.3153175838 0.96272371 0.0353946 -3.46526717 -4.73353018 -1.69622778 -0.42328846 0.3719635 -0.35776097 7.77997012 -0.1714599 0.47038369 5.89137574 1.03051721 1.11301307 0.11536529 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2216-51-5 16666 144213345 A A (1R,2S,5R)-(-)-Menthol CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O Tox21_303028 -NCGC00258990-01 196706829 tox21-ror-cho-viability-p1 set1 4 9.02382573 1.15050693 4.95564213 8.31955905 7.99253205 1.86652783 2.20980676 2.78007074 2.32705333 4.91046708 1.59096302 1.89064223 0.07880318 1.37536967 0.36730228 1.163E-9 2.601E-9 5.816E-9 1.301E-8 2.908E-8 6.503E-8 1.454E-7 3.2509999999E-7 7.27E-7 0.0000016259999999 0.0000036349999999 0.000008129 0.00001818 0.00004064 0.00009088 150-68-5 8800 144208637 A A Monuron Clc1ccc(NC(=O)N(C)C)cc1 Tox21_201439 -NCGC00091205-03 196706812 tox21-ror-cho-viability-p1 set1 4 7.87478808 6.96812629 0.25288685 7.6299727 1.96924071 1.70629646 4.93448764 2.17794909 -0.72810087 2.49705388 0.4477078 -0.22863234 0.28420775 1.20000367 0.13123722 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00258921-01 196706813 tox21-ror-cho-viability-p1 set1 4 0.0287268619 -18.39481456 2.90805874 1.4997211 1.69601649 1.90099251 2.28466622 3.62278697 3.02044809 7.33381934 -7.31908975 0.03467056 -0.43727065 -0.17700603 1.84925315 1.21403847 1.19E-9 2.661E-9 5.95E-9 1.331E-8 2.975E-8 6.653E-8 1.4879999999E-7 3.326E-7 7.438E-7 0.000001663 0.000003719 0.000008316 0.00001859 0.00004158 0.00009297 78-42-2 6537 144208567 A F Tris(2-ethylhexyl) phosphate CCCCC(COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC)CC Tox21_201369 -NCGC00259557-01 196706823 tox21-ror-cho-viability-p1 set1 4 2.7746648 10.76425463 0.86946239 -2.05744518 -1.64647771 4.60996495 5.70530206 -0.12961243 -13.10389159 -2.59182796 -1.9282449 -0.17713149 3.35868545 3.76380631 -1.71616753 1.188E-9 2.656E-9 5.9389999999E-9 1.3279999999E-8 2.969E-8 6.64E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.000003712 0.0000083 0.00001856 0.0000415 0.00009279 81335-37-7 54739 144209206 A A Imazaquin CC1(N=C(NC1=O)c2nc3ccccc3cc2C(=O)O)C(C)C Tox21_202008 -NCGC00257014-01 196727554 tox21-ror-cho-viability-p1 set3 4 -1.10024464 1.28732727 1.50636484 1.12027817 0.15745581 0.36142008 7.17487252 -0.21369946 0 0 0 -0.56330954 1.16454902 7.51067905 2.29990747 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-21-0 7489 144213546 A A Terephthalic acid OC(=O)c1ccc(cc1)C(=O)O Tox21_303229 -NCGC00257268-01 196727126 tox21-ror-cho-viability-p1 set3 4 -1.30513238 -2.56377742 0.37803885 -3.55440072 2.06407049 -3.34703731 -1.16414824 -13.75462525 -4.76982634 -0.49862849 -6.01043947 -1.97236117 -2.21531393 -5.77817786 -6.59955838 3.947E-10 8.825E-10 1.9729999999E-9 4.413E-9 9.867E-9 2.206E-8 4.934E-8 1.1029999999E-7 2.467E-7 5.5159999999E-7 0.000001233 0.0000027579999999 0.0000061669999999 0.000013789999999 0.000030829999999 22260-51-1 31100 144213902 A I Bromocriptine mesylate CS(=O)(=O)O.Brc3nc2cccc1C4=C[C@H](CN(C)[C@@H]4Cc3c12)C(=O)N[C@@]7(O[C@]6(O)N([C@@H](CC(C)C)C(=O)N5CCC[C@H]56)C7=O)C(C)C Tox21_303597 -NCGC00257006-01 196727536 tox21-ror-cho-viability-p1 set3 4 0.1825665 1.41249576 -16.65097374 -0.64664982 0.17670371 -13.13137216 -11.27946485 -12.71886844 -2.13178976 0 0 -2.10813976 -2.91145429 0.72195102 -2.74136731 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 947-04-6 13690 144213396 A A Azacyclotridecan-2-one O=C1CCCCCCCCCCCN1 Tox21_303079 -NCGC00256449-01 196727544 tox21-ror-cho-viability-p1 set3 4 27.3060203028 -8.6391497919 1.5 -7.1391497919 1.1340999999 0.3326927555 0.3570806653 -1.17943031 1.86324145 -0.12405159 0.46217549 1.86725718 0.70522798 4.20636196 1.37330772 1.02287629 5.24792123 -0.40833612 -3.87697029 1.83237093 -5.11595816 -0.28956582 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-33-9 4781 144213080 A D Phenylbutazone O=C3C(CCCC)C(=O)N(c1ccccc1)N3c2ccccc2 Tox21_302763 -NCGC00163771-03 196727954 tox21-ror-cho-viability-p1 set3 4 6.1130564862 -9.11743088 0.5 -8.61743088 4.9549173134 0.3490270476 0.3207488818 -0.01604809 -0.49076756 5.77080546 3.12962727 -3.89363832 -5.00864865 -7.46925781 7.52340201 -8.69735449 6.7299348 9.05350538 -10.9311924 -8.66507217 -7.85834642 -7.11640207 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00091532-04 196724708 tox21-ror-cho-viability-p1 set3 -3 69.4274967035 -63.1756049887 0.3095190109 -62.8660859778 4.5044702849 0.905609102 0.0002408842 -7.91659077 1.89704038 1.20118584 0.47571002 2.93683413 -7.9788026 2.7691154 2.09028898 3.5928881 -0.06330761 4.29139573 7.01109086 -4.10805574 -4.89327237 -49.89371903 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00018221-08 196724294 tox21-ror-cho-viability-p1 set3 4 4.9150903612 4.7482726239 -0.7482726239 4 4.9549173134 0.3721296862 0.3013870745 -3.87105804 0.72227784 2.79789046 -4.37356052 -3.65108348 3.6212994 -1.48109579 0.75958643 0.10300942 1.66367456 -1.58716893 6.66617177 6.3946765 1.39222131 2.38493027 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.331E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00357177-01 196724705 tox21-ror-cho-viability-p1 set3 4 -5.19914058 -0.71331791 -0.0923714 0.27729395 6.52119116 -7.1506645 -2.80865446 -0.03078001 3.60877582 -0.0150963 -7.6318896 -2.44697243 -8.07754519 -0.79543435 1.35385341 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2588-04-7 17425 251919771 F Phorate sulfone CCOP(=S)(OCC)SCS(=O)(=O)CC Tox21_303939 -NCGC00356949-01 196724706 tox21-ror-cho-viability-p1 set3 4 0.0096885416 17.513008712 -10.013008712 7.5 0.5 0.6545406027 0.061662282 -6.67750726 -5.26114672 -1.48089831 -0.08992784 3.13013337 4.41018795 3.4094896 1.61941135 10.64054307 2.22435606 -0.55618424 5.22009369 10.06350806 11.36268888 7.84637592 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-44-4 7091 251919777 A 2,3-Dihydroxynaphthalene Oc1cc2ccccc2cc1O Tox21_303850 -NCGC00357238-01 196724715 tox21-ror-cho-viability-p1 set3 4 0.0053080386 15.2908161359 -13.7908161359 1.5 0.7 0.6596360884 0.0698995745 -8.06828855 -16.49234678 -4.0464472 -4.31749574 -4.99322291 -1.74126615 -0.70194112 -3.06578192 3.71036572 5.06756252 -2.45371817 -1.43773703 3.33779894 2.23778595 -7.9940817 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 99129-21-2 6444391 251919717 Clethodim CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)SCC)CC1=O Tox21_304029 -NCGC00262930-01 196725112 tox21-ror-cho-viability-p1 set3 4 0.0211316824 -4.6399626159 4.5 -0.1399626159 4.9549173134 0.4157292116 0.2595042853 4.48031047 2.21808317 4.27199714 6.7616934 4.98827632 -0.85337506 -1.03465842 2.1835248 -0.39687997 -4.28330218 5.53535512 2.92921313 -2.23454176 1.50966405 -2.46169483 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 38234-21-8 188304 170466642 A A Fertirelin O=C(NCC)[C@@H]6CCCN6C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3cnc2ccccc23)NC(=O)[C@H](Cc4cncn4)NC(=O)[C@@H]5CCC(=O)N5 Tox21_113925 -NCGC00095209-06 196725116 tox21-ror-cho-viability-p1 set3 4 0.004216325 -15.410077224 2 -13.410077224 0.5 0.4637739184 0.2118164873 0 -8.14020916 -2.01579663 -10.01629623 -4.8621453 -9.05508845 -8.183571 -14.52001047 -14.33521493 -15.0632758 -12.09321532 -2.94152621 -17.84173102 -10.5560884 -17.26609731 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 482-44-0 10212 170466682 A Imperatorin C/C(C)=C\COc1c3occc3cc2C=CC(=O)Oc12 Tox21_113179_1 -NCGC00090965-04 196720342 tox21-ror-cho-viability-p1 set3 4 0.0024336516 13.760256976 -15.760256976 -2 0.6 0.4005008137 0.2729455501 -7.93966335 -14.38354748 -5.41613231 -0.24898288 -9.33130542 -3.60276586 -1.2852633 -1.47833402 -4.79147821 -2.33382814 -4.58707438 0.21364297 -3.31095241 0.8256222 -5.68796953 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00254441-01 196720336 tox21-ror-cho-viability-p1 set3 4 5.13505318 12.895106 1.12195493 3.11226719 -0.68315648 2.39916247 -1.03568269 3.29069772 2.55167288 2.90626453 3.83991774 0.9742147 -1.63396583 1.67641231 3.68752208 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 72178-02-0 51556 144210836 A A Fomesafen Clc2cc(ccc2Oc1cc(C(=O)NS(C)(=O)=O)c(cc1)[N+]([O-])=O)C(F)(F)F Tox21_300518 -NCGC00254014-01 196720344 tox21-ror-cho-viability-p1 set3 4 0.0013685429 23.579510652 -25.579510652 -2 0.3 0.5326755602 0.1505935172 -11.61695349 -19.64959221 -8.81050165 -9.08662402 -6.58401023 -10.68616976 -7.80063147 0.00019487 -4.1304675 -6.70801621 -2.81995379 -2.32160447 -7.05040882 -3.27629011 -6.44086792 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47374 10201497 144210571 A A SSR161421 COc1ccc(cc1)C(=O)Nc3nc4ccccc4c(NCc2ccccc2)c3C#N Tox21_300251 -NCGC00091284-03 196720348 tox21-ror-cho-viability-p1 set3 4 30.6378586933 18.9247466439 -9.9247466439 9 0.4 0.6869463907 0.0444947602 -8.48796964 -7.31632011 -13.17308663 -13.68728887 -6.24809994 -7.81765059 -6.81675011 -5.32222971 -5.95727956 -5.07534781 -3.93758061 -3.57329977 -5.83149219 -0.99896926 6.22508748 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00255025-01 196720747 tox21-ror-cho-viability-p1 set3 4 8.89216687 0.98506431 10.92640946 -0.14187729 7.62855066 2.34832583 5.57118356 8.73366854 4.46332442 9.41108284 6.49223091 7.68335566 -0.40578931 0.55488813 4.94445253 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-86-5 7462 144211443 FNS alpha-Terpinene CC(C)C1=CC=C(C)CC1 Tox21_301126 -NCGC00254202-01 196720749 tox21-ror-cho-viability-p1 set3 4 15.57692954 14.69339855 10.40149719 16.47683414 -2.36534038 7.13665404 10.09744997 8.33890655 12.11576736 15.45318849 15.10164481 18.08160895 -1.03864152 5.49561402 2.20823679 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-73-8 31357 144210427 A A Tributyl phosphate CCCCOP(=O)(OCCCC)OCCCC Tox21_300107 -NCGC00258317-01 196716193 tox21-ror-cho-viability-p1 set2 4 5.81502572 2.3555804 1.02265711 2.84831131 0.98275322 2.34565841 -0.07153854 -0.05000719 -0.29998111 2.38084521 0.61309031 3.51289038 0.95098751 1.11439189 0.09646078 1.1759999999E-9 2.63E-9 5.8799999999E-9 1.315E-8 2.94E-8 6.574E-8 1.4699999999E-7 3.2869999999E-7 7.35E-7 0.000001643 0.0000036749999999 0.000008217 0.00001837 0.00004109 0.00009187 105-16-8 61012 144207961 A A 2-(Diethylamino)ethyl methacrylate O=C(OCCN(CC)CC)C(=C)C Tox21_200763 -NCGC00258568-01 196716169 tox21-ror-cho-viability-p1 set2 4 -0.02563744 0.16432581 -0.13072454 0.29499442 -0.46332102 -3.06297567 -2.26398035 -2.46180488 -0.53685774 -1.74185287 -2.31895013 -3.04563354 -0.11299134 -0.0129843 -0.51847484 1.226E-9 2.742E-9 6.13E-9 1.371E-8 3.065E-8 6.854E-8 1.5329999999E-7 3.4269999999E-7 7.663E-7 0.0000017139999999 0.000003832 0.000008568 0.00001916 0.00004284 0.00009579 111-78-4 82916 144208213 FNS 1,5-Cyclooctadiene C1=CCCC=CCC1 Tox21_201015 -NCGC00258236-01 196716174 tox21-ror-cho-viability-p1 set2 -3 68.729149849 -44.6454732898 -2.68902879 -47.3345020798 4.9549173134 0.8627274703 0.0014952267 -5.58550073 -3.97592949 -6.98015499 1.78174143 0.75407785 -5.24380137 -1.39801629 -3.39805754 2.73592117 -6.38985725 0.32183828 -10.21264129 -0.93643068 -2.56823222 -39.15436673 1.182E-9 2.6429999999E-9 5.9109999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.304E-7 7.3889999999E-7 0.0000016519999999 0.0000036939999999 0.000008261 0.000018469999999 0.000041299999999 0.000092359999999 87-29-6 6881 144207880 A A Cinnamyl anthranilate Nc2ccccc2C(=O)OCC=Cc1ccccc1 Tox21_200682 -NCGC00258402-01 196716191 tox21-ror-cho-viability-p1 set2 4 -2.82959401 -1.73363648 0.129645 -1.35476737 0.25731884 -0.84683762 -2.72812423 1.29204791 -3.00001985 0.08935757 -1.61287953 -2.08256534 -3.47978474 0.13531995 -3.21255575 1.118E-9 2.5E-9 5.59E-9 1.25E-8 2.795E-8 6.25E-8 1.397E-7 3.1249999999E-7 6.987E-7 0.000001562 0.000003494 0.000007812 0.000017469999999 0.00003906 0.00008734 6138-79-0 5284472 144208046 A A Triprolidine hydrochloride monohydrate Cl.O.Cc1ccc(cc1)C(=C\CN2CCCC2)/c3ccccn3 Tox21_200848 -NCGC00258285-01 196716589 tox21-ror-cho-viability-p1 set2 4 1.13361867 -0.61567812 -0.67071893 0.17970745 0.8760899 -1.07639574 -4.10877365 -0.1833512 1.47426038 -5.58168098 -0.6437516 -5.06545237 -4.38517357 -0.403368 -0.63939757 1.1739999999E-9 2.624E-9 5.8689999999E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091699999999 17564-64-6 87154 144207929 A A 2-(Chloromethyl)-1H-isoindole-1,3(2H)-dione O=C2c1ccccc1C(=O)N2CCl Tox21_200731 -NCGC00258008-01 196716591 tox21-ror-cho-viability-p1 set2 4 0.5048989259 -3.4515142919 3 -0.4515142919 4.5044702849 0.4186522552 0.2588195521 3.84958196 3.90013412 -0.53664453 1.02158153 1.43328313 8.56855741 2.69426873 2.55409148 0.08262335 -1.3135627 -0.64684432 1.05819863 0.54829022 -1.62626191 -0.38654013 1.219E-9 2.726E-9 6.096E-9 1.3629999999E-8 3.048E-8 6.816E-8 1.524E-7 3.408E-7 7.62E-7 0.000001704 0.00000381 0.00000852 0.00001905 0.0000426 0.00009525 1569-69-3 15290 144207652 A F Cyclohexanethiol SC1CCCCC1 Tox21_200454 -NCGC00163927-04 196716606 tox21-ror-cho-viability-p1 set2 4 2.28135633 6.45656119 2.56251497 2.68317793 3.30063944 3.89800417 0.61736016 3.26270023 3.75112734 4.00020855 0.15948849 1.01313988 -0.25160823 0.94710877 0.41429642 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00259352-01 196709348 tox21-ror-cho-viability-p1 set2 4 15.715158041 10.1769409719 -2.1769409719 8 0.5999999999 0.7147105177 0.0325127034 -0.76491289 -4.62338921 -5.14745081 -2.53609756 -0.01772532 -1.34515677 -0.31763877 -0.33909084 -0.25734448 0.47572658 -0.91294251 -0.82768958 5.57016666 5.11541356 5.46836799 1.203E-9 2.6889999999E-9 6.013E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.361E-7 7.516E-7 0.0000016809999999 0.000003758 0.000008403 0.000018789999999 0.00004202 0.00009395 107-98-2 7900 144209001 A A 1-Methoxy-2-propanol CC(O)COC Tox21_201803 -NCGC00259743-01 196708933 tox21-ror-cho-viability-p1 set2 -2.2 71.6752772114 -51.7020882042 -1.790229713 -53.4923179172 3.9294729863 0.9833196495 1.66E-8 -5.31955452 -0.90969285 -2.09991602 -4.02582903 -0.10095673 -0.66537225 -1.05283256 -2.4195915 0.93841992 -0.98351685 -2.79952699 -1.78324651 -1.75782965 -12.69606701 -46.96387721 1.483E-9 3.3159999999E-9 7.415E-9 1.658E-8 3.708E-8 8.29E-8 1.854E-7 4.1449999999E-7 9.2689999999E-7 0.000002073 0.000004634 0.000010359999999 0.00002317 0.00005181 0.0001159 32388-55-9 16220111 144209392 A Fc 1-Cedr-8-en-9-ylethanone CC(=O)C=1C[C@]23C[C@@H](C=1C)C(C)(C)[C@@H]3CC[C@H]2C Tox21_202194 -NCGC00259891-01 196708934 tox21-ror-cho-viability-p1 set2 4 0.63655354 1.75907327 2.22885289 2.04671567 3.13618372 0.26932686 0.13878738 0.69305299 -1.62159713 2.14304622 1.96772831 2.1848156 2.05612394 3.39789835 0.31851738 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-96-7 135 144209540 A A 4-Hydroxybenzoic acid OC(=O)c1ccc(O)cc1 Tox21_202342 -NCGC00259075-01 196709336 tox21-ror-cho-viability-p1 set2 4 9.657015 0.85473543 -0.05718421 -1.48553969 0.30324234 0.31528851 2.42363245 11.94492996 3.18597259 0.35222275 -1.15597136 -0.56295387 3.45710247 3.14205753 -3.53478443 1.1919999999E-9 2.6649999999E-9 5.959E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.331E-7 7.449E-7 0.0000016659999999 0.000003725 0.0000083279999999 0.00001862 0.00004164 0.00009312 624-92-0 12232 144208723 Methyl disulfide CSSC Tox21_201525 -NCGC00259449-01 196709350 tox21-ror-cho-viability-p1 set2 4 -2.06561901 -1.20275056 -1.9930675 -8.65303684 -0.19450524 -2.99209331 -0.98844402 -1.12910222 -1.42739366 1.93486121 0.38508807 0.69088705 -15.23572455 -5.90571087 -8.14518683 1.188E-9 2.656E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.639E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.0000037109999999 0.000008299 0.00001856 0.00004149 0.00009278 124-22-1 13583 144209098 A Ac 1-Dodecanamine CCCCCCCCCCCCN Tox21_201900 -NCGC00090789-02 196709355 tox21-ror-cho-viability-p1 set2 4 -0.29414575 1.16777094 -3.60798069 0.60274841 -1.53314401 -0.63899383 -0.39334678 0.23933713 -0.72803901 -0.80191575 -1.56222729 -1.60545001 -0.01703557 0.2232021 5.08353439 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00259874-01 196709760 tox21-ror-cho-viability-p1 set2 -1.1 11.1143830734 -109.488882492 1.5847961248 -107.9040863672 1.6266150999 0.9926932188 0.0176751116 6.29387944 1.139686 -1.61000131 0.73813396 2.75094597 1.80587258 0.30639856 2.10575547 -0.18015246 -0.07389308 -14.37255547 -43.30922576 -11.33171728 -99.35919555 -96.5297171 1.202E-9 2.688E-9 6.0109999999E-9 1.344E-8 3.006E-8 6.721E-8 1.503E-7 3.36E-7 7.5139999999E-7 0.0000016799999999 0.0000037569999999 0.000008401 0.000018789999999 0.00004201 0.00009393 6317-18-6 22772 144209523 A A Methylene bis(thiocyanate) N#CSCSC#N Tox21_202325 -NCGC00257208-01 196707703 tox21-ror-cho-viability-p1 set1 -1.3 6.1130564862 -59.060137198 -1.385421232 -60.44555843 4.9549173134 0.9679507604 0.4146343265 0.47569733 -4.23646282 2.73111582 2.35583277 -3.32477866 -4.09972854 -3.10873377 0.39774723 -3.00331209 -4.66597381 -0.05916186 -54.41556871 -51.3083973 17.67994129 -66.1230965 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3524-68-3 19042 144213569 D Pentaerythritol triacrylate O=C(C=C)OCC(COC(=O)C=C)(CO)COC(=O)C=C Tox21_303252 -NCGC00257361-01 196707696 tox21-ror-cho-viability-p1 set1 4 -0.20147582 2.3540077 1.56530581 0.17868384 -1.41256299 3.19906695 -1.25144 -0.48850747 1.77280799 -2.17768734 2.60104033 -1.56991049 2.54586071 1.12177996 3.638854 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55589-62-3 11074431 144213685 A A Acesulfame potassium [K+].CC1=CC(=O)[N-]S(=O)(=O)O1 Tox21_303370 -NCGC00257419-01 196707699 tox21-ror-cho-viability-p1 set1 4 -2.32717038 5.49083224 5.96621659 0.04482963 3.93978902 -0.81409373 4.80417125 7.29150433 1.37216545 3.61058511 0.1718586 5.14141414 4.33999702 -1.23561236 2.32124568 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-42-2 31256 144213788 A Diacetone alcohol CC(=O)CC(C)(C)O Tox21_303479 -NCGC00257404-01 196707702 tox21-ror-cho-viability-p1 set1 4 0.0030302034 6 0.5 6.5 4.4494702849 0.3670365185 0.3056179063 0.70824917 0.29942257 1.96016386 8.95518266 2.62964559 5.03232635 7.50458313 9.25156824 7.99142293 2.09001036 8.22600332 5.67383808 1.98047729 5.22889655 13.1351497 5.427E-10 1.213E-9 2.713E-9 6.067E-9 1.357E-8 3.034E-8 6.7829999999E-8 1.517E-7 3.3919999999E-7 7.5839999999E-7 0.000001696 0.0000037919999999 0.000008479 0.00001896 0.000042399999999 1883-78-9 61282 144213800 Z A Furfuryl isopropyl sulfide CC(C)SCc1ccco1 Tox21_303491 -NCGC00256983-01 196707714 tox21-ror-cho-viability-p1 set1 4 14.4386548602 8.7189416319 -12.2727027199 -3.553761088 2.4063783767 0.3557398466 0.3149816224 -5.45535655 -6.56356695 -4.05294612 -11.92496042 -14.08578915 -13.76841976 -14.76757994 -15.26191295 -19.8105856 -15.27347759 -14.37378265 -10.7309406 -5.86075449 -6.30278211 -2.12813424 1.121E-9 2.506E-9 5.6039999999E-9 1.2529999999E-8 2.802E-8 6.265E-8 1.401E-7 3.133E-7 7.005E-7 0.000001566 0.0000035019999999 0.000007831 0.00001751 0.00003916 0.00008756 2807-30-9 17756 144213351 Ac 2-Propoxyethanol CCCOCCO Tox21_303034 -NCGC00256985-01 196707716 tox21-ror-cho-viability-p1 set1 4 26.7239175515 8.265063672 -13.9880750879 -5.7230114159 3.1319983358 0.330517035 0.3398224996 -14.94479602 -8.53503073 -15.64835872 -13.78524265 -7.41413401 -13.5170789 -10.65303558 -18.94316692 -19.15672924 -17.72428248 -16.38218591 -9.89798452 -14.33313755 -6.01917618 -6.9744939 1.159E-9 2.591E-9 5.795E-9 1.2959999999E-8 2.8969999999E-8 6.479E-8 1.449E-7 3.239E-7 7.243E-7 0.00000162 0.000003622 0.000008098 0.000018109999999 0.00004049 0.00009054 7773-06-0 24482 144213380 F Ammonium sulfamate [NH4+].[O-]S(N)(=O)=O Tox21_303063 -NCGC00091163-03 196708478 tox21-ror-cho-viability-p1 set2 4 0.1289964 2.73109497 -1.94087809 -1.97824395 -0.11564989 -1.92616335 -0.85197968 -0.28999726 -0.25865856 -1.06712412 -0.57206502 -1.13869365 -0.26059989 3.97599513 3.32683172 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00259654-01 196709700 tox21-ror-cho-viability-p1 set2 4 -0.29525369 2.41821927 -0.0037392 -1.81759831 -0.61478842 0.37345043 -2.92044198 0.13908354 -1.21770515 -1.3074381 0.18675868 -0.65469141 3.85077782 5.72798113 0.78392759 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.977E-8 6.656E-8 1.4879999999E-7 3.3279999999E-7 7.4419999999E-7 0.0000016639999999 0.000003721 0.00000832 0.0000186 0.0000416 0.000093019999999 112-25-4 8170 144209303 A A 2-(Hexyloxy)ethanol OCCOCCCCCC Tox21_202105 -NCGC00163927-04 196709702 tox21-ror-cho-viability-p1 set2 4 0.0111254799 6.118599244 -4.618599244 1.5 3.5117481694 0.3905557689 0.2828891861 3.29814227 -10.51549937 -6.04954277 0.6345727 2.85383765 1.09221706 2.34133854 0.70447572 2.30638213 -0.36500223 -0.02511922 1.84305853 2.59296305 3.37407169 -0.43791307 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00258867-01 196709715 tox21-ror-cho-viability-p1 set2 4 -0.63473218 -0.85016022 -5.29613782 -9.15663552 -1.82052317 -0.28054759 1.45001971 -3.00324483 -1.071475 1.57594437 -1.12168545 -3.47230502 -4.03352683 1.18709929 -2.6640478 1.188E-9 2.656E-9 5.9389999999E-9 1.3279999999E-8 2.969E-8 6.64E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.000003712 0.0000083 0.00001856 0.0000415 0.00009279 77-83-8 6501 144208513 F Ethyl methylphenylglycidate CCOC(=O)C2OC2(C)c1ccccc1 Tox21_201315 -NCGC00256409-01 196708075 tox21-ror-cho-viability-p1 set1 4 8.6349217992 7.071672868 -8.071672868 -1 1.826479391 0.4246575004 0.2496731863 -7.76258567 -7.57985687 -2.4905502 -5.07052054 -9.0643352 -3.78584317 -8.92443554 -13.80972739 -11.71865147 -10.28659737 -8.93111846 -2.42852515 -2.70888941 -4.35023896 1.44640994 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-00-1 67174 144213310 A A Diphenolic acid Oc1ccc(cc1)C(C)(CCC(=O)O)c2ccc(O)cc2 Tox21_302993 -NCGC00259467-01 196708472 tox21-ror-cho-viability-p1 set2 4 -1.37224298 -1.48558196 -2.2687131 -13.0249317 0.09684553 1.06518037 -0.19538763 1.56078004 -1.04798343 -1.12622056 -1.15922062 -1.09203481 0.82461547 -0.29129316 -6.37341526 1.21E-9 2.707E-9 6.052E-9 1.353E-8 3.0259999999E-8 6.766E-8 1.5129999999E-7 3.3829999999E-7 7.5649999999E-7 0.0000016919999999 0.000003782 0.000008458 0.00001891 0.000042289999999 0.00009456 110-15-6 1110 144209116 A A Butanedioic acid O=C(O)CCC(=O)O Tox21_201918 -NCGC00244580-01 196708477 tox21-ror-cho-viability-p1 set2 4 34.3762428541 -15.8464348 -1 -16.8464348 3.0654483358 0.9217422638 0.0000932913 -1.05929482 1.38583471 1.38540255 -2.46159972 -1.37910592 -3.15846563 1.11705784 -1.69398273 -0.05394445 -1.18251317 -1.04515425 -1.75381729 -1.62119353 -12.00131457 -17.372029 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00258879-01 196708487 tox21-ror-cho-viability-p1 set2 4 -0.14324567 0.42790365 -0.0005371 -3.49977086 4.33245212 1.29907855 1.44421989 1.37616467 0.07730935 0.49038771 4.55174257 0.70325387 2.29969612 4.08129536 0.27948215 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.569E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.00004106 0.00009181 5466-77-3 21630 144208525 A A Octinoxate COc1ccc(C=CC(=O)OCC(CC)CCCC)cc1 Tox21_201327 -NCGC00259873-01 196708890 tox21-ror-cho-viability-p1 set2 -2.1 48.8047419132 -100.1462012192 1.899102448 -98.2470987712 3.0654483358 0.9950354759 0 -0.7838234 1.71637176 -1.13281859 1.21566894 1.4886038 3.09262414 5.27852284 1.27690721 1.12794847 2.59665909 0.99894857 3.89349457 -1.73831127 -36.35809866 -85.73045268 1.185E-9 2.6499999999E-9 5.9249999999E-9 1.325E-8 2.962E-8 6.6239999999E-8 1.481E-7 3.312E-7 7.406E-7 0.000001656 0.0000037029999999 0.0000082799999999 0.00001852 0.0000414 0.00009258 27193-28-8 62530 144209522 A A (1,1,3,3-Tetramethylbutyl)phenol Oc1ccccc1C(C)(C)CC(C)(C)C Tox21_202324 -NCGC00259520-01 196708896 tox21-ror-cho-viability-p1 set2 -2.4 9.8859291874 -29.371780512 1 -28.371780512 1.4780888099 0.9696653701 5.182E-7 1.56171169 1.22023568 0.61607967 0.61608847 2.34755945 -0.29911145 0.43168985 1.3650526 2.18154802 -3.10387243 -1.38157135 -16.03775512 -17.88474175 -24.26550567 -28.22648376 1.1999999999E-9 2.6819999999E-9 5.9979999999E-9 1.3409999999E-8 2.999E-8 6.7059999999E-8 1.5E-7 3.353E-7 7.498E-7 0.000001676 0.000003749 0.0000083819999999 0.000018739999999 0.00004191 0.000093719999999 128-04-1 560256 144209169 F Sodium dimethyldithiocarbamate [Na+].CN(C)C([S-])=S Tox21_201971 -NCGC00259849-01 196708912 tox21-ror-cho-viability-p1 set2 -3 61.5659893405 -36.61893084 1 -35.61893084 4.4494702849 0.9661078318 9.723E-7 1.56036828 0.71117183 1.66880593 0.47032078 2.99435177 2.60788217 -0.92735626 0.93863865 0.38907379 -0.32063832 4.61767423 -1.38938922 1.59403101 -4.11441738 -30.5157757 1.187E-9 2.6549999999E-9 5.937E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 836-30-6 13271 144209498 A A 4-Nitro-N-phenylaniline [O-][N+](=O)c2ccc(Nc1ccccc1)cc2 Tox21_202300 -NCGC00259860-01 196709315 tox21-ror-cho-viability-p1 set2 4 31.1370465254 10.1847457519 -1.1847457519 9 1.8851180601 0.4664192556 0.2297356621 0.24620528 -5.57062146 -2.9322995 1.76966336 -0.12424537 -0.33079602 -2.47572937 -1.10783622 -0.40171152 -3.9954301 0.02034459 2.08503814 -0.43383289 6.31633689 0.21356 1.196E-9 2.6749999999E-9 5.981E-9 1.337E-8 2.9899999999E-8 6.6869999999E-8 1.4949999999E-7 3.3429999999E-7 7.476E-7 0.0000016719999999 0.0000037379999999 0.0000083589999999 0.00001869 0.00004179 0.00009345 594-20-7 11660 144209509 FNS 2,2-Dichloropropane CC(C)(Cl)Cl Tox21_202311 -NCGC00259966-01 196709318 tox21-ror-cho-viability-p1 set2 4 0.14384275 -3.76995426 -3.86844562 0.45162933 3.32532032 0.19595295 1.0466018 -1.89665846 1.75830687 0.43296095 3.31637582 3.87829794 3.12479239 3.31479604 3.26009443 1.1509999999E-9 2.5739999999E-9 5.757E-9 1.2869999999E-8 2.878E-8 6.436E-8 1.4389999999E-7 3.218E-7 7.196E-7 0.000001609 0.0000035979999999 0.000008045 0.00001799 0.000040229999999 0.00008995 108-46-3 5054 144209615 A A Resorcinol Oc1cccc(O)c1 Tox21_202417 -NCGC00261968-01 196725964 tox21-ror-cho-viability-p1 set3 4 0.1059092946 15.486242352 -5.986242352 9.5 0.6 0.7772061085 0.0124304791 -6.65520196 -4.32837158 -5.04542943 -0.7137287 -3.09025759 0.21037957 -3.64964349 7.29725946 -0.43509705 11.32320928 3.96004034 8.26876539 10.57077028 7.22115845 9.65609571 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53684-49-4 2465 170465825 A A Bufetolol CC(C)(C)NCC(O)COc2ccccc2OCC1CCCO1 Tox21_113888 -NCGC00258393-01 196729207 tox21-ror-cho-viability-p1 set3 4 1.52065995 1.17062784 -0.01795979 1.48527311 0.38803878 -1.21814366 1.30920888 3.70709067 3.69647006 2.08240974 2.34660867 2.0157746 -0.06624092 1.07247888 1.60312282 1.1469999999E-9 2.564E-9 5.734E-9 1.282E-8 2.867E-8 6.411E-8 1.434E-7 3.205E-7 7.168E-7 0.000001603 0.000003584 0.0000080139999999 0.00001792 0.00004007 0.00008959 91-57-6 7055 144208037 A Ac 2-Methylnaphthalene Cc1ccc2ccccc2c1 Tox21_200839 -NCGC00258647-01 196729211 tox21-ror-cho-viability-p1 set3 4 0.56646861 -0.8597538 -0.20993342 0.36414184 0.73516719 0.79112272 -0.37122174 0.5410273 0.21153131 -0.79435651 -0.63554751 0.496561 -1.77465238 -0.95973197 1.82470642 1.166E-9 2.608E-9 5.832E-9 1.304E-8 2.9159999999E-8 6.5199999999E-8 1.458E-7 3.26E-7 7.2899999999E-7 0.0000016299999999 0.000003645 0.00000815 0.00001822 0.00004075 0.00009112 870-72-4 2723822 144208293 A A Sodium hydroxymethanesulfonate [Na+].[O-]S(=O)(=O)CO Tox21_201095 -NCGC00016000-13 196725947 tox21-ror-cho-viability-p1 set3 -1.1 0.2219825075 -60.7809413753 3.1982973264 -57.5826440489 4.9549173134 0.8466116356 0.0024868214 1.62708901 2.21806008 -2.84659602 1.47034631 4.49499882 8.68024413 0.48884432 -52.74104776 -54.38481612 -55.5270849 -50.12541855 -48.72678231 -61.47500862 -35.53704514 -97.92966675 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00263447-01 196725953 tox21-ror-cho-viability-p1 set3 4 0.0375780358 13.065041088 -4.065041088 9 0.8999999999 0.5886337613 0.1052857329 -0.84254172 -4.56414567 -5.88753424 -3.99439386 4.32457121 3.89053442 0.56051419 3.88035776 11.64885275 11.20958094 -0.06518457 17.45068036 7.20233652 8.82976021 6.14751016 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 481-06-1 221071 170465728 A alpha-Santonin O=C1C=C[C@]2(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3C2=C1C Tox21_110445_1 -NCGC00163724-03 196725960 tox21-ror-cho-viability-p1 set3 -3 76.9588215421 -41.5290135475 -4 -45.5290135475 1.6266150999 0.5403251963 0.1431929014 -4.60507132 -3.87537011 -5.14488038 -6.55105622 -7.76110674 -7.33059365 -2.59064428 1.33095436 -3.74018182 -0.19840092 0.53475531 1.52015862 -24.15566823 -2.11351753 -34.49167693 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00015661-12 196726382 tox21-ror-cho-viability-p1 set3 4 -4.92940866 0 2.24501338 -5.22791741 -1.36144729 -3.28797642 -5.82428548 2.71703789 -0.40452742 -7.16781123 -0.38905137 -0.32658536 1.06614005 -0.71007447 1.95795805 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25717-80-0 5353788 170465872 A Molsidomine O=C(OCC)[N-]c1c[n+](no1)N2CCOCC2 Tox21_110192_1 -NCGC00256415-01 196726780 tox21-ror-cho-viability-p1 set3 4 0.54390543 2.381262 -0.61601155 3.7197639 0.56868705 2.68187715 -0.41234363 -1.40618008 -0.23357784 0.68360592 -1.70029245 1.5669338 3.02185069 -1.4853448 -0.59961244 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51333-22-3 40000 144213132 A A Budesonide OCC(=O)[C@@]53O[C@@H](O[C@@H]5C[C@H]2[C@@H]4CCC1=CC(=O)C=C[C@]1(C)[C@H]4[C@@H](O)C[C@@]23C)CCC Tox21_302815 -NCGC00256668-01 196726782 tox21-ror-cho-viability-p1 set3 4 -6.62042678 -0.45219415 0 0 0 0 -1.63040938 -1.32787949 -4.34826087 0 0 -12.48796355 0.66808436 -5.96768945 -6.28965892 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13494-07-0 61634 144212882 A F 3,5-Dimethyl-1,2-cyclopentanedione O=C1C(=O)C(C)CC1C Tox21_302565 -NCGC00257038-01 196726798 tox21-ror-cho-viability-p1 set3 4 3.02240697 -0.31948328 0.87641421 0.27126781 3.79638868 3.81199408 8.04477385 4.66990069 0.06243078 5.8793449 -10.28610213 5.33178831 0.93760113 4.8814126 -0.87697171 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-44-1 7050 144213602 A A 7-Diethylamino-4-methylcoumarin CCN(CC)c1ccc2c(c1)OC(=O)C=C2C Tox21_303285 -NCGC00256337-01 196727207 tox21-ror-cho-viability-p1 set3 4 -2.44801291 1.80267626 0.48528327 -5.41815802 -4.73957349 -11.04174879 0 -0.30310685 0 0 0 -2.46867045 0.46649535 0.61613206 -3.4857819 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-11-1 7173 144213103 A A 2,4-D isopropyl ester Clc1cc(Cl)ccc1OCC(=O)OC(C)C Tox21_302786 -NCGC00257354-01 196727612 tox21-ror-cho-viability-p1 set3 4 -0.21389974 -1.35062288 3.52118438 4.56526696 0.0516268 2.17675784 6.15999941 0.5980309 3.13045613 5.63693104 0.02030088 2.34408784 3.65007358 2.60354684 6.80983097 7.196E-10 1.609E-9 3.5979999999E-9 8.046E-9 1.7989999999E-8 4.023E-8 8.995E-8 2.011E-7 4.4979999999E-7 0.000001006 0.000002249 0.000005029 0.000011239999999 0.00002514 0.000056219999999 25360-10-5 520196 144213837 F Fns tert-Nonanethiol CC(C)(S)CCCCCC Tox21_303530 -NCGC00256692-01 196727625 tox21-ror-cho-viability-p1 set3 4 -2.68910881 -8.44252892 0 -4.72361351 -3.177035 0 0 0 0 0 0 -5.98393139 -3.42039521 -4.95886749 -4.9157472 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2040-10-0 74879 144212956 A Bc 4'-tert-Butyl-2',6'-dimethylacetophenone Cc1cc(cc(C)c1C(=O)C)C(C)(C)C Tox21_302639 -NCGC00257020-01 196718271 tox21-ror-cho-viability-p1 set2 4 -1.78108188 -1.15304791 -1.31279544 -4.27798939 0.2402213 -4.51045275 1.71468309 -2.30716722 -6.15327671 -3.21969405 -7.35005074 -1.4701081 0.26823723 -1.89882508 -0.35987774 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-72-2 7026 144213646 B F 2,4,6-Tris(dimethylaminomethyl)phenol Oc1c(cc(cc1CN(C)C)CN(C)C)CN(C)C Tox21_303329 -NCGC00248247-02 196717855 tox21-ror-cho-viability-p1 set2 4 2.87270701 -0.29571257 1.33740115 5.17308105 5.04917034 5.01953674 6.58197121 7.02243973 1.72111808 1.66027147 3.47075412 1.73169415 -0.81763969 -1.26935541 -1.76145379 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 624-48-6 5271565 170466784 F A Dimethyl maleate COC(=O)/C=C\C(=O)OC Tox21_113653 -NCGC00256587-01 196718267 tox21-ror-cho-viability-p1 set2 4 34.3762428541 -17.774152352 2.5 -15.274152352 1.8079476909 0.7649922868 0.015398805 2.06068055 0.33907783 -1.20028872 10.50604405 0.17782017 4.06496104 1.71802453 4.0247228 1.55735244 4.07756826 2.45319426 0.33555502 -2.64921724 -6.80103908 -14.39512696 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 304-28-9 9352 144213181 A A 2,7-Acetylaminofluorene CC(=O)Nc1ccc2c3ccc(cc3Cc2c1)NC(C)=O Tox21_302864 -NCGC00163930-04 196718268 tox21-ror-cho-viability-p1 set2 4 3.4341286931 7.30978636 -5.30978636 2 3.1319983358 0.5244019539 0.1578854147 -0.27911334 -2.62952965 -6.06302243 -3.0391495 -4.7345626 -8.41990525 -2.80126428 -11.5081553 -3.87489343 -9.8035182 -0.16768178 2.54537769 0.56836472 3.271957 0.46393989 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.000001648 0.000003684 0.000008238 0.00001842 0.00004119 0.000092099999999 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00257130-01 196718670 tox21-ror-cho-viability-p1 set2 4 1.58013808 1.93858835 2.1718839 3.91276253 -0.44638799 2.61194161 0.08508156 2.72953057 0.35269158 0.02583365 4.59973017 6.04575067 5.34144487 0.65684307 2.89605215 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 694-83-7 4610 144213537 F Ac 1,2-Cyclohexanediamine NC1CCCCC1N Tox21_303220 -NCGC00257181-01 196718678 tox21-ror-cho-viability-p1 set2 4 0.43432368 0.69382155 2.83428841 1.42912175 1.86151725 5.44335977 0.87956589 3.81240888 4.41297588 4.51409851 6.83791775 -0.1793079 0.37235313 0.62504038 1.51218076 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 28804-88-8 11317 144213457 Z Fns Dimethylnaphthalene Cc1c2ccccc2ccc1C Tox21_303140 -NCGC00256480-01 196718681 tox21-ror-cho-viability-p1 set2 4 -1.61928643 0.01475245 -1.66482672 3.60695813 3.37026983 2.79488603 1.27447585 0.68226975 3.09016798 0.79487808 1.73216438 2.67115957 3.61652452 5.78345588 -1.6768816 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 20265-96-7 5284363 144213232 A A 4-Chloroaniline hydrochloride Cl.Nc1ccc(Cl)cc1 Tox21_302915 -NCGC00256774-01 196718682 tox21-ror-cho-viability-p1 set2 4 1.14083059 2.07111483 2.0036148 3.18805294 1.5567173 4.42278479 3.02132295 5.94511376 2.65974108 2.86091088 1.73610876 -1.3146099 1.09412436 0.88141329 2.27701998 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 67715-80-4 101010 144213930 Ac 2-Methyl-4-propyl-1,3-oxathiane CC1OCCC(CCC)S1 Tox21_303625 -NCGC00257119-01 196718689 tox21-ror-cho-viability-p1 set2 4 2.03041024 0.74090851 2.16491735 2.40780797 1.07388321 9.21256286 0.8465511 10.77688475 2.12548953 2.5104959 12.1718205 1.29884577 -0.02885779 -2.32006145 2.24000512 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-63-4 8064 144213357 A A 1,4-Butanediol OCCCCO Tox21_303040 -NCGC00256382-01 196719081 tox21-ror-cho-viability-p1 set2 -2.2 30.6378586933 -67.586599142 -3.03880183 -70.625400972 1.21 0.9704819679 4.428E-7 -3.72164526 1.53351749 -1.48380212 -2.40864215 -4.01065283 -9.68783345 -2.63620162 -1.72558959 -1.45763441 -9.44911128 -8.28285073 -13.67525075 -28.48425055 -39.18744848 -58.85450081 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15721-02-5 27465 144213228 A A 2,2',5,5'-Tetrachlorobenzidine Clc1cc(N)c(Cl)cc1c2cc(Cl)c(N)cc2Cl Tox21_302911 -NCGC00258432-01 196716617 tox21-ror-cho-viability-p1 set2 4 -1.98162862 -1.21453017 -1.81744232 1.80994518 -3.59019447 1.36183704 0.11771942 0.75246991 1.50404272 1.62378585 1.83299797 -3.62565307 1.70757004 -3.69806844 0.61403444 1.2069999999E-9 2.699E-9 6.035E-9 1.3499999999E-8 3.0179999999E-8 6.7479999999E-8 1.509E-7 3.3739999999E-7 7.5439999999E-7 0.000001687 0.0000037719999999 0.000008434 0.00001886 0.00004217 0.000094299999999 613-94-5 11955 144208076 A A Benzoyl hydrazine O=C(NN)c1ccccc1 Tox21_200878 -NCGC00257781-01 196716206 tox21-ror-cho-viability-p1 set2 4 5.6448427 1.41727604 -0.81732912 0.61333794 3.4962928 4.79817376 0.40587227 1.66401306 0.91603842 2.63328233 0.04781658 3.65597308 -0.74913139 -0.21819721 2.47236342 1.1919999999E-9 2.6649999999E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004163 0.000093099999999 1562-00-1 517063 144207425 A A Sodium 2-hydroxyethanesulfonate [Na+].[O-]S(=O)(=O)CCO Tox21_200227 -NCGC00258526-01 196716216 tox21-ror-cho-viability-p1 set2 1.4 25.5385969128 29.517393056 -2.517393056 27 4.0949729863 0.9859883989 6E-9 -1.27353551 -4.18116088 -2.37032554 -3.19160944 -2.04955297 -1.41205961 -4.04833978 -2.62296039 -1.00540964 -1.86516909 -3.51346238 -0.01582949 3.18036818 22.8921439 26.61880454 1.1159999999E-9 2.494E-9 5.5779999999E-9 1.247E-8 2.789E-8 6.236E-8 1.394E-7 3.118E-7 6.972E-7 0.0000015589999999 0.000003486 0.0000077949999999 0.000017429999999 0.000038979999999 0.00008715 2664-63-3 17570 144208171 A A 4,4'-Thiodiphenol Oc1ccc(cc1)Sc2ccc(O)cc2 Tox21_200973 -NCGC00255682-01 196709784 tox21-ror-cho-viability-p1 set2 4 2.72085669 5.16792999 1.57885881 3.23103948 0.67381321 1.04539241 0.95355271 0.46789635 0.5893525 0.9205606 1.65997054 0.90141646 2.98543741 7.13645145 3.87438882 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5836-29-3 54678504 144211569 A A Coumatetralyl OC=1c4ccccc4OC(=O)C=1C3CCCc2ccccc23 Tox21_301252 -NCGC00259732-01 196709371 tox21-ror-cho-viability-p1 set2 4 -1.58168916 -7.23077512 -0.87950003 -2.22649078 -2.70836972 -1.17049916 2.22955893 -5.08397476 -4.5917801 -1.6590254 -0.64823123 -4.04603033 -3.87479454 -4.637806 0.87390867 1.1999999999E-9 2.684E-9 6.002E-9 1.3419999999E-8 3.0009999999E-8 6.71E-8 1.5E-7 3.355E-7 7.5019999999E-7 0.000001677 0.0000037509999999 0.000008387 0.00001875 0.000041939999999 0.000093769999999 111-69-3 8128 144209381 A A Hexanedinitrile N#CCCCCC#N Tox21_202183 -NCGC00091839-03 196709372 tox21-ror-cho-viability-p1 set2 4 61.130564862 -25.850491628 2 -23.850491628 2.6384283767 0.8553150549 0.0019234864 2.88192231 1.25247169 -0.6783031 0.678675 -1.00777411 -0.30599266 4.42413965 0.86954593 6.22283691 3.44078291 1.40138167 4.46597959 -0.42654864 -3.98326177 -17.37540969 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00091009-05 196709380 tox21-ror-cho-viability-p1 set2 -2.2 48.9356919594 -52.2448198664 -0.838938132 -53.0837579984 3.5117481694 0.9775558685 9.25E-8 -2.79351052 1.50509797 1.04178271 -1.37453718 -2.92017324 -2.0052845 -0.17250388 -4.15735965 1.7350192 -1.64978407 0.89042556 -1.31373757 0.55116963 -15.73549899 -46.65436212 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00256179-01 196709791 tox21-ror-cho-viability-p1 set2 4 0.89732043 1.48492783 0.11485799 -0.04245684 -0.13989431 -0.23181925 -4.03125616 0.68804302 0.215419 1.56077147 -4.25258259 0.90369136 1.05432218 0.28314037 2.64891571 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 873-94-9 13398 144212044 F Fns 3,3,5-Trimethylcyclohexanone CC1CC(=O)CC(C)(C)C1 Tox21_301727 -NCGC00256245-01 196710211 tox21-ror-cho-viability-p1 set2 4 0.29061833 4.05807607 1.46771407 -0.25848592 1.26527376 0.81615578 2.11572712 -0.76922705 0.75491201 1.35562472 0.60655364 1.05670782 -1.07868803 1.90325924 2.88262775 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7492-70-8 24114 144212101 A A 1-Butoxy-1-oxopropan-2-yl butanoate O=C(CCC)OC(C)C(=O)OCCCC Tox21_301784 -NCGC00258861-01 196709392 tox21-ror-cho-viability-p1 set2 4 -1.37745028 0.18036044 -2.08106402 -2.93592542 -1.01749263 -1.46735313 -0.83417495 -0.19978084 -2.32765159 -1.32589004 -1.38109195 -1.53818894 -0.19190867 -2.40415936 1.28749978 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.000001671 0.0000037379999999 0.000008357 0.00001869 0.00004179 0.00009344 556-52-5 11164 144208507 A A Glycidol OCC1CO1 Tox21_201309 -NCGC00090698-04 196708991 tox21-ror-cho-viability-p1 set2 4 -0.02852547 -2.78375127 -0.55294176 0.0730545 -0.91905572 -1.2628636 -1.08704254 -1.54590372 -0.17628562 -1.46497019 -1.17297146 -0.90150948 -0.71922159 -0.8551555 0.14795371 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00091253-05 196709388 tox21-ror-cho-viability-p1 set2 4 1.27274082 -4.45064474 -3.16933419 -4.37133277 -1.84482885 0.87231908 -1.77858694 -0.90410965 -0.39999777 -3.15507429 -0.33132926 -2.85893058 1.38294593 -0.10725478 -1.44586395 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00259395-01 196709389 tox21-ror-cho-viability-p1 set2 4 -1.78776297 -2.5512763 -2.64317487 1.51877303 -0.9442476 0.98064566 -1.14390782 0.95056177 -3.28795194 -1.70226598 -0.53677351 -1.31564879 -1.26042562 -3.00068018 -0.05946151 1.185E-9 2.651E-9 5.927E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3129999999E-7 7.409E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009261 66215-27-8 47866 144209044 A A Cyromazine Nc2nc(N)nc(NC1CC1)n2 Tox21_201846 -NCGC00259657-01 196709399 tox21-ror-cho-viability-p1 set2 4 -2.1134136 -0.95418341 -5.13938307 -1.41668359 0.33966203 -0.54842432 -0.94941602 0.24348403 -1.43234807 -1.23082321 -0.30339176 1.15108761 -1.35334904 -0.78451544 -2.28969686 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.000092909999999 92-52-4 7095 144209306 A A Biphenyl c1cc(ccc1)c2ccccc2 Tox21_202108 -NCGC00255130-01 196709807 tox21-ror-cho-viability-p1 set2 4 -11.33170894 -6.00982168 -2.94777684 -2.21440451 0.96795862 -8.41227646 -2.24992451 -0.51091768 -4.77369349 0.32799472 -2.3004603 -3.33244089 0.01667753 -5.01593978 -19.93859547 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-06-7 31335 144211976 B 3-Bromo-1-chloro-5,5-dimethylhydantoin CC1(C)C(=O)N(Br)C(=O)N1Cl Tox21_301659 -NCGC00255622-01 196709821 tox21-ror-cho-viability-p1 set2 4 3.55400278 4.55980712 1.45628106 0.83607218 2.4175221 1.71395919 0.96284291 1.41374426 -0.10420529 0.28489905 1.85408073 1.45375125 0.25118111 1.3546327 4.41841639 1.044E-9 2.335E-9 5.22E-9 1.167E-8 2.61E-8 5.836E-8 1.305E-7 2.918E-7 6.5249999999E-7 0.000001459 0.000003263 0.000007296 0.000016309999999 0.000036479999999 0.000081569999999 76231-76-0 261491 144212157 Z F (-)-alpha,beta-Thujone C[C@H]1C(=O)C[C@@]2(C[C@H]12)C(C)C Tox21_301840 -NCGC00256233-01 196710558 tox21-ror-cho-viability-p1 set2 4 -0.45761685 4.1142988 1.25377904 1.41559302 2.89985025 0.09072659 -2.18824986 1.62690361 3.52271033 -0.40351205 2.53571489 3.54094776 2.23041737 -1.16995858 1.26819207 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16691-43-3 2723869 144211926 F 5-Amino-1,2-dihydro-3H-1,2,4-triazole-3-thione S=C1N=C(N)NN1 Tox21_301609 -NCGC00255380-01 196710555 tox21-ror-cho-viability-p1 set2 4 10.8707224818 -13.294971268 2 -11.294971268 0.6 0.8581022089 0.0028284702 3.64411306 0.84193317 2.90608783 2.53161474 0.18833944 -0.04417822 -0.122576 0.57890217 -1.67611548 0.89507438 -2.58035754 -3.01169596 -5.90540906 -7.74580939 1.20462946 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 500-38-9 4534 144212488 A A Nordihydroguaiaretic acid Oc2ccc(CC(C)C(C)Cc1ccc(O)c(O)c1)cc2O Tox21_302171 -NCGC00255721-01 196710553 tox21-ror-cho-viability-p1 set2 4 -2.39498252 -1.41277389 -1.96591517 -0.41687741 -0.5251769 -1.37091769 -0.49280445 0.97390949 -1.09701263 -1.57514678 0.42422685 -2.24871766 0.72504685 1.79223938 -5.70319403 1.2319999999E-9 2.755E-9 6.161E-9 1.378E-8 3.0809999999E-8 6.8879999999E-8 1.54E-7 3.444E-7 7.7009999999E-7 0.000001722 0.000003851 0.0000086099999999 0.00001925 0.000043049999999 0.00009627 618-45-1 12059 144211875 A A 3-Isopropylphenol CC(C)c1cc(O)ccc1 Tox21_301558 -NCGC00255421-01 196710554 tox21-ror-cho-viability-p1 set2 4 0.0015355304 15.0231812479 -14.0231812479 1 4.9549173134 0.8081232038 0.0096397334 -10.85265104 -0.0554015 0.0056632 -0.34114983 2.18783728 1.18910517 -0.42858451 -0.33975563 0.25934858 1.22371536 0.12890752 0.10170898 4.02948642 4.44284558 8.44477243 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-65-0 32897 144211861 A D 2-((Dimethylamino)methyl)phenol Oc1ccccc1CN(C)C Tox21_301544 -NCGC00255820-01 196710559 tox21-ror-cho-viability-p1 set2 4 48.5577336745 12.6442802599 -3.6442802599 9 0.7999999999 0.7151307056 0.032404662 -2.62394046 -6.37023355 -5.59781045 -3.74991276 -4.81036817 -3.1373406 -0.68664618 -2.90296919 -3.85774099 -1.95706806 0.57125614 -2.35515397 -1.0955388 1.41701928 6.06920458 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-03-0 16682993 144212185 Fc Aluminum hydroxide acetate (1:1:2) O[Al](OC(=O)C)OC(C)=O Tox21_301868 -NCGC00091830-04 196710575 tox21-ror-cho-viability-p1 set2 4 0.1219715124 -5.7029208239 5 -0.7029208239 4.9549173134 0.585667525 0.1087666669 2.19593861 7.06342781 5.11166554 2.56392234 3.23626432 8.94250932 0.41168137 -2.28507137 0.32983381 1.36534279 0.62099761 0.6483697 1.21999571 -2.27406222 -4.75243402 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00257102-01 196707683 tox21-ror-cho-viability-p1 set1 4 0.67824527 2.44752536 -1.54495909 2.28084326 0.06137049 2.67695816 -1.53670091 2.2704532 0.26024782 0.77803734 1.9145024 -0.69369486 3.57285404 -3.87628393 -0.00513067 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-17-3 8836 144213401 A A Bis[2-(2-butoxyethoxy)ethyl] hexandioate CCCCOCCOCCOC(=O)CCCCC(=O)OCCOCCOCCCC Tox21_303084 -NCGC00256696-01 196707257 tox21-ror-cho-viability-p1 set1 4 -9.05746963 -11.58399248 -14.62793053 -18.46850722 -14.25156882 -11.77681142 -10.11610475 -19.77949787 -23.50803296 -13.61476863 -12.23955821 -2.76819098 -13.17852304 -13.77841311 -3.65144053 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-87-9 62336 144213023 A A 2-Phenylpropionaldehyde dimethyl acetal COC(OC)C(C)c1ccccc1 Tox21_302706 -NCGC00256668-01 196707261 tox21-ror-cho-viability-p1 set1 4 0.14274457 -0.58516345 -2.41301192 -4.7553961 -15.28752529 -4.9489754 -5.49956753 4.28287027 -3.16124927 -0.92694969 -4.83386994 -0.29141484 -0.91967415 -0.06587805 1.17303629 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13494-07-0 61634 144212882 A F 3,5-Dimethyl-1,2-cyclopentanedione O=C1C(=O)C(C)CC1C Tox21_302565 -NCGC00257086-01 196707674 tox21-ror-cho-viability-p1 set1 4 -0.71174326 5.4672689 4.45393558 2.66982418 3.98585313 6.23800865 1.82832221 1.87138276 -3.36734934 1.67563324 -2.49528844 4.9397664 1.42848552 6.33336396 2.90308409 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-59-8 19188 144213481 Z Z Phenoxyacetic acid O=C(O)COc1ccccc1 Tox21_303164 -NCGC00257189-01 196708091 tox21-ror-cho-viability-p1 set1 4 0.77236273 1.54603557 2.47780127 2.34250414 1.76678629 -0.27115384 -1.03092315 2.20517141 4.14732087 -2.04528477 1.83932841 6.14264032 0.42376795 2.64733787 4.886788 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-01-2 7592 144213596 A B Acetoacetanilide O=C(Nc1ccccc1)CC(C)=O Tox21_303279 -NCGC00257159-01 196708093 tox21-ror-cho-viability-p1 set1 4 -2.25060513 1.28630506 0.64966324 3.31275804 1.97937777 1.58673205 -1.39915993 5.49630412 3.99325211 1.28266684 1.39386875 -0.76123311 4.09579797 2.51526601 1.87731713 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 144-80-9 5320 144213417 A A Sulfacetamide Nc1ccc(cc1)S(=O)(=O)NC(C)=O Tox21_303100 -NCGC00257106-01 196708098 tox21-ror-cho-viability-p1 set1 4 0.73454668 4.25581897 3.4437713 -0.8753328 2.88410448 4.4357927 6.51567814 -1.12940223 4.63821864 1.80849302 -0.65636895 1.9117675 0.42349973 1.43336467 1.23018666 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 121-03-9 8458 144213468 A A 2-Methyl-5-nitrobenzenesulfonic acid Cc1ccc(cc1S(O)(=O)=O)[N+]([O-])=O Tox21_303151 -NCGC00255568-01 196728467 tox21-ror-cho-viability-p1 set3 -2.4 48.5577336745 -34.9313360679 0.3774155239 -34.553920544 2.7867712143 0.7505536423 0.0192982913 0.12411287 11.69973137 -0.94817916 -2.03374699 -1.63338126 -6.75962366 9.48208031 -1.02540872 0.08647842 1.28529281 -6.10130841 1.73117143 -1.14677194 -13.85101396 -29.52611339 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23110-15-8 6917655 144212727 F Fumagillin C[C@@]1(O[C@@H]1C\C=C(\C)C)[C@H]3[C@H](OC)[C@H](OC(=O)\C=C\C=C\C=C\C=C\C(=O)O)CC[C@@]23CO2 Tox21_302410 -NCGC00255136-01 196728861 tox21-ror-cho-viability-p1 set3 -2.2 27.3060203028 -53.5972196043 1.3305423519 -52.2666772524 1.372261 0.9661290227 9.651E-7 -1.767373 -2.00010395 2.12096052 1.08954884 1.32586634 0.79468576 4.99408143 0.71883267 4.28423959 0.58023084 -4.65743303 -8.79179334 -17.7807582 -28.03230999 -48.39507153 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63675-72-9 4499 144212682 A A Nisoldipine CC=1NC(C)=C(C(C=1C(=O)OCC(C)C)c2ccccc2[N+]([O-])=O)C(=O)OC Tox21_302365 -NCGC00091146-04 196728880 tox21-ror-cho-viability-p1 set3 4 0.13578655 2.98167731 -1.57811605 -11.14198494 6.0450905 -9.56508702 -9.72436154 -12.16795338 5.52867021 5.43665872 -2.00525483 -4.0971728 -0.94932644 -8.09839449 -10.69764157 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00066947-05 196724776 tox21-ror-cho-viability-p1 set3 4 -3.11548496 0.30546368 -4.33419816 -0.17561426 0.21703498 0.64852304 -0.71618672 1.12939739 0.82509828 6.53278373 -0.83386707 3.39533372 -0.58000277 -0.87995185 -0.2850441 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00260636-01 196724369 tox21-ror-cho-viability-p1 set3 4 0.0595571731 -4.0645833279 4 -0.0645833279 2.3331733767 0.3499796548 0.3386875646 1.94891059 -1.11356082 3.59726269 9.37554107 6.24769026 3.63401968 0.69912731 0.31358545 2.62977793 -0.06207894 -1.23309638 -3.80381944 -0.92504706 2.77691747 2.05964837 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49532 144210289 M M NTP Mix112 ER1 10-EQC Tox21_203091 -NCGC00357156-01 196724775 tox21-ror-cho-viability-p1 set3 4 1.3685428777 -7.8477017 6.5 -1.3477017 4.4494702849 0.5997531763 0.1116628041 -1.62465861 5.65525039 8.13408141 5.35972779 7.380218 6.24482001 11.06446447 7.44631492 9.79458286 -0.09725343 -2.37791678 -3.62308475 1.71433677 -0.99083925 9.15996984 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-56-7 7244 251919975 A 2-Bromophenol Oc1ccccc1Br Tox21_303903 -NCGC00260267-01 196724772 tox21-ror-cho-viability-p1 set3 4 0.0173751792 5.199993572 -2.699993572 2.5 4.9549173134 0.359879309 0.3123268302 -0.90484137 -4.40179022 -3.29441128 -1.66186948 3.80346264 2.36214434 4.09927531 1.16779007 2.75845656 -5.16666131 5.81002334 -0.72466757 1.82119189 2.47998757 8.87639508 1.3079999999E-9 2.925E-9 6.541E-9 1.463E-8 3.27E-8 7.313E-8 1.635E-7 3.6559999999E-7 8.1759999999E-7 0.000001828 0.000004088 0.000009141 0.00002044 0.0000457 0.0001022 111-25-1 8101 144209917 Fns 1-Bromohexane BrCCCCCC Tox21_202719 -NCGC00260337-01 196724782 tox21-ror-cho-viability-p1 set3 4 0.0782127247 -8.137226248 -1 -9.137226248 3.1319983358 0.5712135097 0.1341492191 -4.81441504 -0.23439028 -0.20582084 1.5376988 -3.4576091 -2.11651238 -11.96142483 -5.80336975 -8.23094411 -7.74038612 -6.1975968 -6.53884376 -17.19768854 -8.64716585 -1.27342129 1.196E-9 2.6749999999E-9 5.981E-9 1.337E-8 2.9899999999E-8 6.6869999999E-8 1.4949999999E-7 3.3429999999E-7 7.476E-7 0.0000016719999999 0.0000037379999999 0.0000083589999999 0.00001869 0.00004179 0.00009345 6385-58-6 22882 144209989 A A Sodium bithionolate [Na+].[Na+].[O-]c2c(Sc1cc(Cl)cc(Cl)c1[O-])cc(Cl)cc2Cl Tox21_202791 -NCGC00260307-01 196724786 tox21-ror-cho-viability-p1 set3 4 27.2782538257 -12.96197508 1.5 -11.46197508 4.9549173134 0.5898025081 0.1046290178 -5.74064465 -0.71500232 -3.32387601 -1.9111259 -2.68315578 2.22618169 4.01984613 5.52323896 2.02528399 4.7494255 5.39238818 4.37655554 1.9684908 -12.0516459 -10.17247165 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.000008236 0.00001842 0.000041179999999 0.00009208 68584-22-5 29249 144209958 F (C10-C16) Alkylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_202760 -NCGC00091602-02 196724792 tox21-ror-cho-viability-p1 set3 4 0.69180329 7.557149 7.30860981 -6.57098035 9.68430902 4.67985956 -4.26455612 -0.36540998 -0.46826821 8.37860856 4.77012499 6.05970091 4.1766846 -0.87662429 -4.52376287 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00164127-03 196724794 tox21-ror-cho-viability-p1 set3 4 0.0076958822 5.4011527359 -5.4011527359 0 3.0654483358 0.4363686616 0.240725528 -6.16762728 -3.43160935 -4.70594156 -0.37339575 2.40647031 -0.78537134 1.42505665 5.50416316 -1.50764578 -1.80500582 -0.23245761 -2.79310799 -2.39080645 -1.6297734 1.64383317 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00357279-01 196724796 tox21-ror-cho-viability-p1 set3 4 -4.23355681 0.4200167 1.75307763 2.64955333 0.59679145 2.20054518 2.61636891 6.22370759 -3.67769058 7.83650224 5.29944421 4.8723164 -4.88276995 2.16205258 3.12189474 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-01-0 1127 251919825 Fns Tetrahydrothiophene C1CCCS1 Tox21_304026 -NCGC00090773-04 196718702 tox21-ror-cho-viability-p1 set2 4 -4.04597755 0.84450937 1.16059801 -1.64236666 -2.24458337 -3.47563838 -2.0319266 -3.28159698 -3.01929382 -1.49868244 -2.82637093 0.35121691 -1.92240146 -1.79153224 -4.08100917 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.0000016739999999 0.000003742 0.000008368 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00257383-01 196718705 tox21-ror-cho-viability-p1 set2 4 -0.66375876 3.71792122 0.89316077 2.21918404 0.51268525 4.44731701 2.93843441 5.11406883 2.62761475 -0.74246484 2.21831014 -0.30136191 1.71253695 2.54687163 -1.69167539 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2696-84-6 75908 144213747 A Ac 4-Propylaniline Nc1ccc(CCC)cc1 Tox21_303437 -NCGC00256381-01 196718300 tox21-ror-cho-viability-p1 set2 4 -2.41209429 0.23536747 -4.00026621 -3.58607777 -2.730962 -3.81255765 -0.54585508 0.42344773 -10.47640478 -0.69353229 1.13039044 -3.88383903 -3.43057529 -7.10502012 -3.00386934 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 569-57-3 11289 144213214 A A Chlorotrianisene COc1ccc(cc1)C(\Cl)=C(/c2ccc(OC)cc2)c3ccc(OC)cc3 Tox21_302897 -NCGC00257398-01 196718697 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -20.0840318799 2 -18.0840318799 4.9549173134 0.7022447801 0.0374435832 2.41195976 -1.23618786 1.31784436 5.34968247 3.02271088 1.83079724 -0.29858916 3.78565415 1.32928689 0.1567892 8.09259003 -0.17246481 0.92216774 2.17712126 -12.1533599 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19780-11-1 5362708 144213711 A A (2-Dodecenyl)succinic anhydride O=C1OC(=O)CC1C/C=C/CCCCCCCCC Tox21_303400 -NCGC00257255-01 196718712 tox21-ror-cho-viability-p1 set2 4 -0.35744522 0.99881114 1.71239751 2.38168123 -0.47685296 0.63374277 3.95823628 3.56742026 5.12757521 0.37389596 -1.07198032 2.49229623 1.22691789 3.60226189 2.7437793 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2943-75-1 76262 144213951 F Triethoxyoctylsilane CCO[Si](OCC)(OCC)CCCCCCCC Tox21_303648 -NCGC00256404-01 196719111 tox21-ror-cho-viability-p1 set2 4 0.53167212 -2.35620219 -4.22753657 -0.26558724 -6.71402733 -1.86829038 -3.51456348 -1.61832323 -2.2012859 -0.84116305 -0.68663943 -0.39523582 -2.26896317 -1.00956804 -2.28356702 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 73-31-4 896 144213243 A A Melatonin CC(=O)NCCc2cnc1ccc(cc12)OC Tox21_302926 -NCGC00257286-01 196719112 tox21-ror-cho-viability-p1 set2 4 -2.47272313 -3.95360207 -1.04415377 -6.5606422 -7.67108109 -3.08983489 -1.89478468 -7.37392369 -11.32776529 -2.10626812 -1.06771574 -1.04978041 -10.37501475 -0.63783421 0.28880136 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 938-16-9 70308 144213869 A F tert-Butyl phenyl ketone O=C(c1ccccc1)C(C)(C)C Tox21_303564 -NCGC00256802-01 196719126 tox21-ror-cho-viability-p1 set2 4 0.0096885416 8.742030812 -3.242030812 5.5 0.4999999999 0.4420103025 0.2346222031 -1.86835901 -0.475161 2.21012345 3.75582693 -1.71611016 4.97917828 2.09287679 3.76679061 7.71221802 -0.05545755 8.46518093 4.80073158 6.26689504 5.34373293 3.60131494 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65416-14-0 3354132 144212918 A F Maltol isobutyrate O=C1C=COC(C)=C1OC(=O)C(C)C Tox21_302601 -NCGC00256642-01 196719129 tox21-ror-cho-viability-p1 set2 4 0.80636147 -3.8737888 -5.4554197 0.84911306 -0.95606835 -0.55387669 3.02966819 -0.87008013 2.06625787 1.10371971 -0.21740623 1.71976804 -3.59648999 2.74370503 2.27031516 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16728-49-7 85576 144212767 A D 3-(Octyloxy)propanenitrile CCCCCCCCOCCC#N Tox21_302450 -NCGC00257029-01 196719131 tox21-ror-cho-viability-p1 set2 4 19.3311819617 8.7617658519 -6.7617658519 2 4.9549173134 0.4469828436 0.2280948278 -7.62577355 -7.15421357 -5.19087093 -1.35898025 -12.71813821 -9.99205921 -8.08245318 -2.52093973 -6.40990254 -7.94534269 0.27421949 -10.1343708 -2.75714403 1.31422345 2.60489482 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-84-2 8141 144213465 Fns Nonane CCCCCCCCC Tox21_303148 -NCGC00254815-01 196719553 tox21-ror-cho-viability-p1 set3 4 10.84103297 1.41072272 6.86830725 6.68249099 11.61014835 0.94653024 12.93124731 10.7076246 13.90772089 11.12818691 13.06371852 6.96807728 12.50400972 6.84329483 9.31802953 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110488-70-5 86298 144211228 I I Dimethomorph O=C(C=C(c1ccc(Cl)cc1)c2ccc(OC)c(OC)c2)N3CCOCC3 Tox21_300911 -NCGC00254162-01 196719557 tox21-ror-cho-viability-p1 set3 4 3.84069128 9.43840217 23.97692808 0.1574844 21.2428092 12.36504679 5.13535889 9.02725548 9.2327206 12.44579567 17.52193184 -2.67086137 4.23239765 0.39449753 5.38896758 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 112-70-9 8207 144210458 A Ac 1-Tridecanol CCCCCCCCCCCCCO Tox21_300138 -NCGC00163818-04 196719558 tox21-ror-cho-viability-p1 set3 4 0.4113421577 -17.1799853439 3.5 -13.6799853439 0.5 0.7825096448 0.0112768605 1.82889445 2.75750788 0.87033881 1.06953601 1.524673 1.01998428 -9.84202601 -0.88734614 -7.23272474 -8.71027446 -6.4867958 -14.60149178 -7.14499285 -14.73332112 -12.52458085 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00260171-01 196711464 tox21-ror-cho-viability-p1 set2 4 9.6786896923 -8.794066656 -0.5 -9.294066656 2.4063783767 0.6763770161 0.060647796 -0.78457315 0.44537739 -1.48467204 -0.25063413 -1.72404196 0.70016437 -0.32467588 -0.78360147 -0.60773868 -1.15602096 -2.61287113 -0.50368941 -12.32838888 -6.10119481 9.72581416 1.179E-9 2.6359999999E-9 5.8929999999E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.294E-7 7.367E-7 0.0000016469999999 0.0000036829999999 0.000008236 0.00001842 0.000041179999999 0.00009208 171058-18-7 2734225 144209821 A A 1-Decyl-3-methylimidazolium chloride [Cl-].C[n+]1ccn(CCCCCCCCCC)c1 Tox21_202623 -NCGC00260271-01 196711468 tox21-ror-cho-viability-p1 set2 -3 2.6530357629 -47.763073635 -4.71130052 -52.474374155 4.9549173134 0.8925771495 0.0045034591 0.20565945 -3.86409856 -5.25988209 -4.25701633 -3.30861189 -12.19079506 -13.06511881 -9.5276513 -3.38227047 -9.9078987 -46.90734575 -17.03682544 -22.72514344 -9.89421897 7.35343645 1.268E-9 2.8359999999E-9 6.342E-9 1.4179999999E-8 3.171E-8 7.09E-8 1.585E-7 3.5449999999E-7 7.9269999999E-7 0.0000017729999999 0.000003964 0.000008863 0.00001982 0.00004431 0.00009909 116-26-7 61041 144209921 A C 2,6,6-Trimethylcyclohexa-1,3-dienylmethanal CC=1C=CCC(C)(C)C=1C=O Tox21_202723 -NCGC00255984-01 196711063 tox21-ror-cho-viability-p1 set2 4 -0.17450461 4.1746745 3.64113905 3.9376973 1.48896634 -0.06552982 2.41400605 2.04523477 0 0.76928254 0.10936587 -0.41132014 1.06012263 2.53674093 6.52614524 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2275-14-1 16773 144212058 F Fns Phenkapton Clc1ccc(Cl)cc1SCSP(=S)(OCC)OCC Tox21_301741 -NCGC00256154-01 196711069 tox21-ror-cho-viability-p1 set2 4 1.9318814 1.57972891 1.93716333 0.86749905 2.93365949 2.34167742 -1.81923789 3.85988109 -1.00900321 -0.14661532 4.00604288 4.38991974 2.16241479 3.55335615 -1.68140191 1.074E-9 2.4019999999E-9 5.371E-9 1.201E-8 2.685E-8 6.005E-8 1.343E-7 3.002E-7 6.7129999999E-7 0.000001501 0.000003357 0.000007506 0.00001678 0.00003753 0.00008392 120-18-3 8420 144211974 A A Naphthalene-2-sulfonic acid O=S(=O)(O)c1ccc2ccccc2c1 Tox21_301657 -NCGC00260263-01 196711469 tox21-ror-cho-viability-p1 set2 4 67.7780644414 -37.8475376839 -2 -39.8475376839 0.9999999999 0.606848488 0.0919106178 2.48334794 2.23267589 0.57148044 1.65351166 0.60113122 -1.12051039 -13.13300837 -4.29044702 -13.19941419 -2.94138471 -2.66802145 -11.28260232 -1.20334223 -15.71779079 -29.87294807 1.286E-9 2.8749999999E-9 6.428E-9 1.437E-8 3.214E-8 7.187E-8 1.607E-7 3.593E-7 8.0349999999E-7 0.000001797 0.0000040179999999 0.000008983 0.00002009 0.00004492 0.0001004 101-85-9 6076971 144209913 A A alpha-Amylcinnamyl alcohol CCCCCC(/CO)=C/c1ccccc1 Tox21_202715 -NCGC00260572-01 196711471 tox21-ror-cho-viability-p1 set2 4 -15.73809577 -16.20312101 -33.44958238 -2.7875342 -0.19859715 0 0 -48.9494283 -7.63411241 -11.86772229 -16.46528567 -27.14661847 0 -47.06921708 -10.94824928 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49468 144210225 M M NTP Mix80 CT1 62-EQP Tox21_203027 -NCGC00357050-01 196711487 tox21-ror-cho-viability-p1 set2 4 -7.0881751 -3.3166971 -5.58762093 -6.53962863 -0.28187816 -7.65974273 -3.13003627 -15.4007883 0 -3.429864 -28.49938062 -3.94114897 -6.25601868 -14.67378691 -2.18000655 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1678-91-7 15504 251919878 Fns Ethylcyclohexane CCC1CCCCC1 Tox21_303745 -NCGC00164168-02 196711882 tox21-ror-cho-viability-p1 set2 2.4 1.8161666311 32.7040704079 -14.7040704079 18 0.2 0.8511062416 0.0021875261 -10.58672534 -10.10105876 -8.83884081 -5.86706426 -3.23030552 0.24831145 -0.91208918 0.04994296 -0.25353506 -0.55313017 0.41019053 4.80884666 4.0529612 5.07056944 14.06174945 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.000096319999999 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00259858-01 196711904 tox21-ror-cho-viability-p1 set2 4 54.4826732819 25.2103948845 -9.913186997 15.2972078875 4.9549173134 0.3843487198 0.2863515061 -7.32869204 -8.32118996 -3.20153415 -9.26839401 -2.38925189 -11.23623226 -6.07996793 -19.9724419 -3.92374964 -4.98218338 -4.62506409 -16.80288236 -31.67300231 -3.68094232 13.51582924 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1948-33-0 16043 144209507 Z Z tert-Butylhydroquinone CC(C)(C)c1cc(O)ccc1O Tox21_202309 -NCGC00259459-01 196712301 tox21-ror-cho-viability-p1 set2 -1.1 30.5755549657 -91.4284228947 -4.948741619 -96.3771645137 4.9549173134 0.9476720613 0.0000107674 -1.95184762 -2.20045789 -2.87318469 -4.0546739 -0.84951613 -0.96990205 -7.15961691 -3.8680711 -21.8278753 -12.20203198 -7.51455309 0 0 -91.84404973 -94.48741619 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.586E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009204 137-30-4 8722 144209108 FNS Ziram [Zn+2].S=C([S-])N(C)C.CN(C)C([S-])=S Tox21_201910 -NCGC00260224-01 196712305 tox21-ror-cho-viability-p1 set2 4 78.3696995331 28.536045384 -4.536045384 24 4.9549173134 0.5226757825 0.1583442157 -1.66272532 -0.16341674 -2.56692468 -6.53057804 -0.56030779 -1.81220469 -4.8277016 -1.33251494 -3.73037183 -18.78003782 -5.1241505 1.95028545 -3.13845365 -12.53986508 18.19631308 1.198E-9 2.6779999999E-9 5.988E-9 1.339E-8 2.994E-8 6.6949999999E-8 1.497E-7 3.347E-7 7.485E-7 0.0000016739999999 0.000003742 0.000008368 0.00001871 0.00004184 0.000093559999999 112400-85-8 21988023 144209874 A A 1-Butyl-2-methylpyridinium chloride [Cl-].Cc1cccc[n+]1CCCC Tox21_202676 -NCGC00259934-01 196712307 tox21-ror-cho-viability-p1 set2 4 -8.17089646 -7.9266909 -8.65994955 -5.92322741 -4.12879332 -0.56091948 -15.25120077 -9.50368521 -0.2267781 -0.35536488 -8.88729628 -1.19311102 -12.39161822 -6.7963344 -25.88195149 1.166E-9 2.6069999999E-9 5.829E-9 1.303E-8 2.9139999999E-8 6.517E-8 1.457E-7 3.2579999999E-7 7.286E-7 0.000001629 0.0000036429999999 0.000008146 0.00001821 0.00004073 0.00009107 80-43-3 6641 144209583 A A Dicumyl peroxide CC(C)(OOC(C)(C)c1ccccc1)c2ccccc2 Tox21_202385 -NCGC00259035-01 196709771 tox21-ror-cho-viability-p1 set2 4 -3.71219523 -5.95468484 3.134612 -2.9295892 -3.65504252 2.92078486 -4.44990289 -3.62383597 -5.69003566 1.21503134 -6.91682168 -6.52969142 2.48942144 -0.76997778 -5.87706217 1.212E-9 2.71E-9 6.061E-9 1.3549999999E-8 3.03E-8 6.7759999999E-8 1.515E-7 3.388E-7 7.576E-7 0.0000016939999999 0.0000037879999999 0.00000847 0.00001894 0.00004235 0.0000947 85509-19-9 73675 144208682 A A Flusilazole C[Si](Cn1cncn1)(c2ccc(F)cc2)c3ccc(F)cc3 Tox21_201484 -NCGC00259019-01 196709753 tox21-ror-cho-viability-p1 set2 4 1.0892836172 -12.148489132 3.5 -8.648489132 0.3 0.6578994546 0.0604530291 2.48500755 1.74162117 1.57465912 0.95965376 2.43421091 -3.00319636 -3.86144648 -2.22293435 2.20769848 -4.78596783 -3.29413114 -2.56521624 -3.64786962 -8.04040761 -6.26320315 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.61E-8 1.4779999999E-7 3.305E-7 7.3899999999E-7 0.0000016519999999 0.0000036949999999 0.000008262 0.000018469999999 0.00004131 0.00009237 989-51-5 65064 144208666 A B (-)-Epigallocatechin gallate Oc1cc(cc(O)c1O)C(=O)O[C@@H]3Cc2c(cc(O)cc2O)O[C@@H]3c4cc(O)c(O)c(O)c4 Tox21_201468 -NCGC00259027-01 196709757 tox21-ror-cho-viability-p1 set2 4 -3.42254081 0.19097641 1.51042556 0.2962762 1.62981233 1.12177793 1.32038088 0.13338431 1.79004448 0.76107815 -0.75773842 -1.95241247 3.00082675 3.62592285 0.98405761 1.1689999999E-9 2.6129999999E-9 5.843E-9 1.3069999999E-8 2.922E-8 6.5329999999E-8 1.461E-7 3.267E-7 7.304E-7 0.0000016329999999 0.000003652 0.000008166 0.00001826 0.000040829999999 0.0000913 105-55-5 2735009 144208674 A A N,N'-Diethylthiourea CCNC(=S)NCC Tox21_201476 -NCGC00258903-01 196709770 tox21-ror-cho-viability-p1 set2 4 -4.46152788 -3.64897832 -0.0208202 -0.37934143 -5.13080352 -4.79176976 -0.8576787 -3.8499397 -0.04022157 -0.09598759 -5.57433715 -4.03157753 -5.21950194 -7.54568839 -4.85527698 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.00001844 0.000041219999999 0.00009218 99-57-0 3613389 144208549 A A 2-Amino-4-nitrophenol Nc1cc(ccc1O)[N+]([O-])=O Tox21_201351 -NCGC00255295-01 196710165 tox21-ror-cho-viability-p1 set2 4 3.27835121 -0.32444512 1.62813515 -1.19889431 -0.1831195 -0.53866804 -1.05040176 1.34204043 -0.6111844 -0.04013799 -1.10557882 2.3503188 -0.82355393 2.13759863 -0.77890743 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 339-43-5 9564 144212134 A A Carbutamide Nc1ccc(cc1)S(=O)(=O)NC(=O)NCCCC Tox21_301817 -NCGC00255675-01 196710171 tox21-ror-cho-viability-p1 set2 4 2.53197803 -0.05346036 0.25258802 -0.06169634 0.96169217 -0.09482896 0.36307945 -2.6387359 -2.86544913 0.34476798 0.50042977 0.6928225 -0.28019597 0.23028622 -6.84595585 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33228-44-3 93162 144212016 A A 4-Pentylaniline Nc1ccc(CCCCC)cc1 Tox21_301699 -NCGC00256223-01 196710178 tox21-ror-cho-viability-p1 set2 4 2.29810652 -1.71051393 -0.44523646 1.57889345 -2.23024752 -2.80922336 0.44436823 0.34293022 -2.21109605 -1.99651856 1.06860126 0.06639769 0.34616758 2.1919746 5.21493512 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2021-28-5 16237 144212654 A A Ethyl hydrocinnamate O=C(CCc1ccccc1)OCC Tox21_302337 -NCGC00255649-01 196710180 tox21-ror-cho-viability-p1 set2 4 -1.9659438 0.37843112 1.95149391 -0.66692678 -4.71990936 -3.31298285 1.58275067 -4.6664754 1.92646143 0.71675616 1.83699105 0.55923138 -3.84427678 -3.01407039 -0.11653807 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 34885-03-5 118193 144211845 A I 4-Methylcyclohexanemethanol CC1CCC(CO)CC1 Tox21_301528 -NCGC00255872-01 196710592 tox21-ror-cho-viability-p1 set2 4 3.91459876 5.32811236 7.28788054 1.70532809 4.19954152 5.44419069 4.17192242 1.17445156 0.2677948 1.51626402 1.7695177 0.35213844 0.81855791 0.16710827 0.49562302 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-07-8 67322 144212406 A 2,2',2'',2'''-(1,2-Ethanediyldinitrilo)tetrakisethanol OCCN(CCN(CCO)CCO)CCO Tox21_302089 -NCGC00255819-01 196710598 tox21-ror-cho-viability-p1 set2 4 0.0013685429 10.1066609759 -9.6066609759 0.5 4.9549173134 0.5425472542 0.1452381457 -7.17221748 1.75386972 1.52770206 -0.7589892 3.08930827 0.5904514 -1.67754138 -3.55388142 0.32721231 -0.12301915 1.53754099 1.53856993 1.55514884 -1.17155235 -0.86762244 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 589-68-4 79050 144211824 A A Tetradecanoic acid, 2,3-dihydroxypropyl ester OCC(O)COC(=O)CCCCCCCCCCCCC Tox21_301507 -NCGC00255420-01 196710600 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -14.7184675159 -1.5 -16.2184675159 4.4494702849 0.6036660773 0.0952390681 -6.21416189 -0.70610077 -1.34220325 -2.30278542 -2.47077963 -0.7024694 -1.11134566 3.12064642 0.34289879 -5.65234846 0.52793568 -3.22766634 1.58284561 -2.83773101 -13.09872293 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 317318-84-6 9934458 144212728 A A {4-[({2-[3-Fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl}methyl)sulfanyl]-2-methylphenoxy}acetic acid O=C(O)COc1ccc(cc1C)SCc2sc(nc2C)c3cc(F)c(cc3)C(F)(F)F Tox21_302411 -NCGC00091586-02 196706460 tox21-ror-cho-viability-p1 set1 4 1.5539073 0.26768617 -1.68923701 -4.83348553 3.07945095 1.29756294 1.39354369 -0.26426616 -14.57832752 8.86743324 1.68920807 1.38832975 1.67996199 0.86088867 -0.84300069 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00259687-01 196706449 tox21-ror-cho-viability-p1 set1 -2.4 68.6593799697 -28.437964812 -2.5 -30.937964812 4.4494702849 0.7917377904 0.0094433351 -2.21164604 -6.36347459 -1.64887418 -4.97392506 -1.01386893 -9.27398968 -4.127792 1.45862605 -0.06964678 0 -5.71952939 0.48339815 -1.6001807 -4.62704381 -24.94830401 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004127 0.00009229 10453-86-8 5053 144209336 A A Resmethrin O=C(OCc2cc(Cc1ccccc1)oc2)C3C(/C=C(\C)C)C3(C)C Tox21_202138 -NCGC00256688-01 196726445 tox21-ror-cho-viability-p1 set3 4 -3.45547683 -3.71585386 -4.29539536 -3.66485551 0 0 -0.05761689 0 0 0 0 -5.00495727 -2.5020529 2.36506063 -0.43776775 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 828-26-2 13233 144212898 A Ac Trithioacetone CC1(C)SC(C)(C)SC(C)(C)S1 Tox21_302581 -NCGC00163953-03 196726447 tox21-ror-cho-viability-p1 set3 -3 72.7253077472 -42.03217588 1 -41.03217588 4.9549173134 0.9300714366 0.0000512569 -0.38109413 4.13600865 -0.12791053 2.9671886 1.92992004 1.49186868 -2.7295852 -0.63740966 4.57401754 -1.45188562 -0.89718792 -2.59360412 3.66325838 -0.58527277 -32.9434799 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.000019359999999 0.00004328 0.000096779999999 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00257417-01 196726459 tox21-ror-cho-viability-p1 set3 4 -0.47641642 0.391988 2.50736066 0.59601306 2.38769883 0.09524252 -0.75668516 1.09457028 3.37693995 1.26938855 3.18340097 -0.82932493 1.23937606 -1.92918697 2.68236243 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 480-63-7 10194 144213763 A A 2,4,6-Trimethylbenzoic acid Cc1cc(C)cc(C)c1C(O)=O Tox21_303453 -NCGC00256591-01 196726854 tox21-ror-cho-viability-p1 set3 4 3.9888947 3.25786793 2.61983624 1.04096098 1.26183831 0.54984139 4.25170608 4.33418098 0.176214 3.73002899 1.78836776 6.74171494 5.27347955 6.35375872 0.37257713 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3165-93-3 18487 144213237 A A 4-Chloro-2-methylaniline hydrochloride Cl.Cc1cc(Cl)ccc1N Tox21_302920 -NCGC00256537-01 196726856 tox21-ror-cho-viability-p1 set3 4 4.42987347 3.93332248 4.56843483 2.37401641 -1.90027303 1.93099428 2.19559489 4.2553374 -1.1790453 1.79287818 2.28273339 3.31310294 1.15245579 1.84846786 -0.7111519 1.1779999999E-9 2.634E-9 5.891E-9 1.3169999999E-8 2.945E-8 6.586E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.0000036819999999 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009204 59-67-6 938 144213221 A A Nicotinic acid O=C(O)c1cccnc1 Tox21_302904 -NCGC00257085-01 196726860 tox21-ror-cho-viability-p1 set3 4 75.5522415161 -13.302945368 1 -12.302945368 4.9549173134 0.757625526 0.0177231085 3.06463958 1.07111382 1.87437129 -0.16601809 0.20804928 2.3324147 1.33825108 1.04000683 -0.04745504 -1.1681748 1.87088487 3.09843213 -0.7314902 3.40651127 -9.41912114 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009079 54827-17-7 41206 144213467 A A 3,3',5,5'-Tetramethylbenzidine Cc1cc(cc(C)c1N)c2cc(C)c(N)c(C)c2 Tox21_303150 -NCGC00256838-01 196726863 tox21-ror-cho-viability-p1 set3 4 0.59315663 3.03357047 1.6229877 -1.85041353 -0.141043 2.72427092 1.64319616 -1.3031891 4.88955792 4.79491103 0.152259 2.37159092 3.95501159 2.57583352 -1.97405416 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67883-79-8 15461361 144212890 A Ac (3Z)-Hex-3-en-1-yl (2E)-2-methylbut-2-enoate O=C(OCC/C=C\CC)C(\C)=C\C Tox21_302573 -NCGC00257078-01 196726870 tox21-ror-cho-viability-p1 set3 4 -0.20620125 2.2958835 3.2238985 -0.33956488 0.52426999 2.53453401 2.07439966 0.73926957 -1.12895041 1.25993968 -0.84986542 -0.79064037 2.62321997 2.08429336 1.24193478 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 583-78-8 66 144213370 A A 2,5-Dichlorophenol Clc1ccc(Cl)c(O)c1 Tox21_303053 -NCGC00091261-03 196726875 tox21-ror-cho-viability-p1 set3 4 67.892692775 -10.076765088 -0.5 -10.576765088 2.1876167061 0.3666669074 0.3084400355 -1.12872027 -1.44275455 -2.53030146 -3.58543536 -2.96063344 -1.82702898 2.56068187 1.16321685 -2.41905451 1.84730696 4.30944532 -1.74105159 -1.97137422 -2.37991588 -7.14730424 1.1699999999E-9 2.6159999999E-9 5.849E-9 1.3079999999E-8 2.9239999999E-8 6.539E-8 1.462E-7 3.27E-7 7.311E-7 0.000001635 0.0000036549999999 0.0000081739999999 0.00001828 0.000040869999999 0.000091389999999 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00253981-01 196720799 tox21-ror-cho-viability-p1 set3 4 19.3311819617 -14.39573132 -2 -16.39573132 1.6266150999 0.5164774227 0.1640576133 -8.22184049 -12.25099319 -1.17686218 1.46921259 -2.20723893 -1.53236191 1.44342213 0.86364551 0.08024999 -5.77720684 0.648995 -6.27768259 -5.9704815 -17.8297761 -13.0907518 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2416-94-6 17016 144210379 A A 2,3,6-Trimethylphenol Cc1ccc(C)c(O)c1C Tox21_300059 -NCGC00254299-01 196720403 tox21-ror-cho-viability-p1 set3 4 -7.4700611 -12.99266034 -0.11389255 -2.26391583 -3.11532894 2.26976309 -3.88253021 -5.10942122 -2.95721538 -5.97757146 -5.4374227 -2.3222771 1.54454383 -3.95253558 -1.356883 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2783-94-0 5359810 144210725 A A FD&C Yellow 6 [Na+].[Na+].O=S([O-])(=O)c3ccc(/N=N/c1c2ccc(cc2ccc1O)S([O-])(=O)=O)cc3 Tox21_300407 -NCGC00254390-01 196720802 tox21-ror-cho-viability-p1 set3 -1.1 1.5355303643 -89.0186436904 -2.73193771 -91.7505814004 3.1319983358 0.985078228 8.7E-9 -4.08570157 4.64202215 -3.99100707 -14.44216885 0.04659716 -5.77386458 -4.29898234 -3.33686346 -1.87041351 -55.57431128 -91.38971258 -90.55602661 -92.6340674 -92.67735495 -85.59323826 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 62-38-4 16682730 144210906 A Phenylmercuric acetate CC(=O)O[Hg]c1ccccc1 Tox21_300589 -NCGC00254499-01 196720812 tox21-ror-cho-viability-p1 set3 4 2.30466047 5.38020123 9.63892656 12.83982032 15.82129859 8.22243745 -1.90414524 -0.58964323 0.67384874 -3.90029105 2.85525338 8.33565178 14.34873738 14.47758095 3.20381549 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 290352-28-2 9819350 144210784 A Ac CP-634384 O=C(O)C(=O)Nc3cc(C)c(Oc2ccc(O)c1CCCc12)c(C)c3 Tox21_300466 -NCGC00259107-01 196721202 tox21-ror-cho-viability-p1 set3 4 24.0261261599 9.182645344 -5.182645344 4 4.9549173134 0.4963601897 0.1826030943 -5.35366661 -3.48846471 -4.27671012 -0.72384012 -10.56887112 -6.41821236 -1.32970726 -3.23065453 -9.97983185 -0.95187568 -5.42293115 -9.92585636 -2.01344009 4.64968988 2.82717376 1.2849999999E-9 2.874E-9 6.425E-9 1.437E-8 3.213E-8 7.184E-8 1.606E-7 3.592E-7 8.032E-7 0.000001796 0.000004016 0.00000898 0.000020079999999 0.000044899999999 0.0001004 137-32-6 8723 144208756 A Ac 2-Methyl-1-butanol CC(CC)CO Tox21_201558 -NCGC00259732-01 196721208 tox21-ror-cho-viability-p1 set3 4 44.158823612 9.5568233839 -2.5568233839 7 3.9294729863 0.4261471899 0.2485198454 -1.20537682 -5.4140905 -0.59928114 2.02725313 -2.53431267 0.95164949 -3.96807594 -7.54735282 -3.49828224 2.65388732 -6.58865281 -4.18864714 -3.92276992 1.83347493 6.6066943 1.1999999999E-9 2.684E-9 6.002E-9 1.3419999999E-8 3.0009999999E-8 6.71E-8 1.5E-7 3.355E-7 7.5019999999E-7 0.000001677 0.0000037509999999 0.000008387 0.00001875 0.000041939999999 0.000093769999999 111-69-3 8128 144209381 A A Hexanedinitrile N#CCCCCC#N Tox21_202183 -NCGC00259858-01 196721218 tox21-ror-cho-viability-p1 set3 4 -2.00828061 0.02894476 1.66774978 4.88867258 -4.93998386 -3.36444761 -5.20394057 -27.58842981 -5.50927763 -2.53238476 -4.25337835 -2.22522839 -0.87664051 1.54412382 -1.64085342 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1948-33-0 16043 144209507 Z Z tert-Butylhydroquinone CC(C)(C)c1cc(O)ccc1O Tox21_202309 -NCGC00254845-01 196720007 tox21-ror-cho-viability-p1 set3 -2.1 27.4727179077 -70.0354821858 -6.99111759 -77.0265997758 2.3031167061 0.9545702366 0.0000049615 -12.29276748 -16.86924612 -7.12045322 -4.72459809 -8.25165713 -8.29499987 -7.36630533 -6.72393826 -4.50232279 -4.24863363 -0.39953651 -4.49572796 -32.14903627 -53.89936878 -75.51627429 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 156052-68-5 122087 144211260 A D Zoxamide Clc1cc(cc(Cl)c1C)C(=O)NC(C)(CC)C(=O)CCl Tox21_300943 -NCGC00254688-01 196720002 tox21-ror-cho-viability-p1 set3 4 0.0015355304 16.4682551879 -14.9682551879 1.5 4.9549173134 0.8571872884 0.0018321296 -12.47354599 4.11665949 4.17344118 0.97786604 0.77972412 2.6842827 1.57316317 2.02376554 1.33416716 1.00436212 0.27662075 0.41187815 0.03910922 1.09221625 1.44296112 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66215-27-8 47866 144211101 A Cyromazine Nc2nc(N)nc(NC1CC1)n2 Tox21_300784 -NCGC00254590-01 196720003 tox21-ror-cho-viability-p1 set3 4 71.1082990174 19.539125296 -2.539125296 17 4.0949729863 0.5663668433 0.1227357296 -2.71977152 -10.44927108 -2.80930577 -1.09106965 -5.68675587 -5.5520522 0 -3.88461368 1.38015823 -5.13512249 1.77183915 1.2711437 1.06647213 -0.59196094 12.45811733 1.216E-9 2.72E-9 6.0809999999E-9 1.36E-8 3.041E-8 6.7989999999E-8 1.5199999999E-7 3.4E-7 7.6019999999E-7 0.0000016999999999 0.000003801 0.000008499 0.000018999999999 0.000042499999999 0.00009502 102268-15-5 113606 144210999 A A 5-Ethyl-2,3-pyridinedicarboxylic acid OC(=O)c1ncc(cc1C(=O)O)CC Tox21_300682 -NCGC00159417-06 196720006 tox21-ror-cho-viability-p1 set3 -2.1 31.355862613 -76.3839854381 -0.6784898899 -77.062475328 2.1876167061 0.961880792 0.0000018715 6.5114871 -5.79295411 1.16921177 6.48982109 -2.92500697 -4.73577948 -3.76683219 -0.24219998 -0.99415046 0.87648314 -0.52743421 -9.7683658 -21.82029111 -48.44536529 -80.2734118 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00254115-01 196720408 tox21-ror-cho-viability-p1 set3 4 0.1219715124 7.03564684 -1.03564684 6 0.6999999999 0.4004733694 0.272829411 0.05300049 -3.73665032 1.84972062 -3.7797057 8.15042527 -1.66730913 3.03419784 1.64641838 2.07233985 8.90816024 8.7198941 5.10927587 7.13861535 2.79725768 4.14834192 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-59-1 6544 144210370 A A Isophorone O=C1C=C(C)CC(C)(C)C1 Tox21_300050 -NCGC00160683-03 196713143 tox21-ror-cho-viability-p1 set2 4 1.45819293 -1.36314831 0.69031341 1.23147147 -0.67183104 -0.70374257 3.73030315 0.14484613 -0.9228069 4.27030453 0.60861979 2.32518905 -0.69646041 0.66880154 3.50199467 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 19368-18-4 71895 170466077 A Ftaxilide O=C(Nc1c(C)cccc1C)c2ccccc2C(=O)O Tox21_111986_1 -NCGC00016876-12 196713128 tox21-ror-cho-viability-p1 set2 4 -2.48008058 -3.63394075 -4.98127776 -4.99994192 -4.60055499 -2.12063047 -0.62315991 -3.79604501 -1.54176806 -3.15082923 -6.5760623 -3.78740727 -8.55438391 -6.46171351 -8.15060083 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54965-21-8 2082 170464897 A Albendazole O=C(OC)Nc1nc2cc(ccc2n1)SCCC Tox21_110659_1 -NCGC00091657-02 196713135 tox21-ror-cho-viability-p1 set2 4 -0.22504566 0.25839007 -0.22003143 -1.65692603 -1.27079236 -3.94742922 -3.57496201 -3.96400947 -6.71555804 -1.49766114 -5.37957226 -8.59193855 -7.81424653 -4.61072093 -3.99496007 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00167962-06 196713138 tox21-ror-cho-viability-p1 set2 4 0.0334914596 -7.932624144 4.5 -3.432624144 0.7999999999 0.5070957567 0.1731877057 -0.06992729 10.4550643 2.32648765 2.88628902 0.17062818 0.22474844 0.3940966 -1.72027646 0.03840723 -2.84784403 -6.88675779 -7.86052012 -2.25631159 0.02758341 -1.69331036 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82586-55-8 54891 170465312 A Quinapril hydrochloride Cl.O=C(OCC)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2Cc3ccccc3C[C@H]2C(=O)O Tox21_111381_1 -NCGC00096014-03 196713145 tox21-ror-cho-viability-p1 set2 4 23.7101376556 13.03595156 -4.03595156 9 0.5 0.6757593577 0.050911223 -4.60201619 -4.45258549 -3.11967983 -5.4466263 -4.49911902 -0.68453513 -1.9464252 -2.41360654 -4.55985671 -0.09336316 -1.6396752 0.27443905 -0.18264065 -0.62356095 6.56767328 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 552-94-3 5161 170465545 A Salsalate O=C(Oc1ccccc1C(=O)O)c2ccccc2O Tox21_111548_1 -NCGC00025357-04 196713148 tox21-ror-cho-viability-p1 set2 4 -0.57456122 -0.65486704 1.89307331 1.03415221 -0.06719755 1.26096764 0.86045077 0.99539635 -0.8904146 0.2416614 0.63626096 -0.96509086 1.60349479 1.64882933 1.20212284 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 65141-46-0 47528 170465582 A Nicorandil O=C(NCCO[N+]([O-])=O)c1cccnc1 Tox21_110968_1 -NCGC00253680-01 196713544 tox21-ror-cho-viability-p1 set2 4 2.93981155 3.45201462 4.64771013 3.32845506 0.98447139 1.72083782 -0.53195932 0.41723261 1.85582261 1.39314717 2.65466701 2.31148519 1.94527974 3.9210282 0.68630962 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 22252-43-3 33498 170466755 Z F 7-Aminodeacetoxycephalosporanic acid CC=1CS[C@@H]2[C@H](N)C(=O)N2C=1C(=O)O Tox21_113804 -NCGC00016599-04 196713543 tox21-ror-cho-viability-p1 set2 4 0.6682424727 -18.737432504 -0.5 -19.237432504 2.1210667061 0.9364622745 0.0000308262 -0.45202514 0.07990793 -0.46883745 -0.01792412 0.44528763 -0.64806389 -2.05456576 -3.05798468 -3.65684545 -12.95960928 -15.47051756 -22.69786042 -19.9174558 -21.0617089 -13.03212661 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2022-85-7 3366 170465407 Z Flucytosine FC1=CNC(=O)N=C1N Tox21_110515_1 -NCGC00016018-10 196712753 tox21-ror-cho-viability-p1 set2 4 7.61197152 5.33084714 0.95569658 2.51657757 2.33768674 4.52862485 -0.02180943 1.74742479 2.01876059 0.87054514 -0.56985164 2.1613491 0.55200531 1.61812568 1.62959651 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 522-48-5 10648 170464943 A Tetrahydrozoline hydrochloride Cl.C2CCC(C1=NCCN1)c3ccccc23 Tox21_110450_1 -NCGC00260630-01 196711927 tox21-ror-cho-viability-p1 set2 -3 7.4978038628 -65.2353193199 2.8415354015 -62.3937839184 4.9549173134 0.9577015009 0.0000234075 3.93672633 2.48301232 3.10342006 1.53547397 4.07869349 5.90127385 5.7013785 -0.50114572 -2.40310252 2.88725687 1.32699679 5.41499962 -47.26801812 -2.64641772 -33.11369331 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49526 144210283 M M NTP Mix106 ER1 10-EQC Tox21_203085 -NCGC00260164-01 196711929 tox21-ror-cho-viability-p1 set2 4 1.84379718 3.06567036 2.35360592 2.05241644 0.31091506 -25.9789109 -10.13514387 3.90674018 1.46996611 2.73157847 -1.4822346 2.42446924 -11.33452486 5.05853436 -1.05863804 1.189E-9 2.6589999999E-9 5.946E-9 1.3289999999E-8 2.973E-8 6.647E-8 1.486E-7 3.3239999999E-7 7.4319999999E-7 0.000001662 0.000003716 0.000008309 0.000018579999999 0.000041549999999 0.0000929 765910-73-4 2734250 144209814 A A 1-Butyl-2,3-dimethylimidazolium trifluoromethanesulfonate CCCCn1cc[n+](C)c1C.FC(F)(F)S([O-])(=O)=O Tox21_202616 -NCGC00091086-02 196712344 tox21-ror-cho-viability-p1 set2 4 0.25237034 -3.2174926 -0.95262075 -4.37692194 2.32878438 -2.9797299 -5.21602943 -7.49936026 -0.18294495 -4.41917296 -9.44653599 -0.0867372 -2.80751532 2.89805055 -16.72089604 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00024740-04 196712756 tox21-ror-cho-viability-p1 set2 4 3.66072033 0.93081162 2.53568499 2.21986046 2.21318685 4.75865883 -1.2061921 1.04378601 -0.15786704 0.39220919 1.21770743 1.62577008 -0.28079288 3.67592602 -1.2748139 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98330-05-3 65854 170466301 A Anpirtoline Clc2nc(SC1CCNCC1)ccc2 Tox21_110922_1 -NCGC00260429-01 196712258 tox21-ror-cho-viability-p1 set2 4 27.5283213152 -28.5493393639 -0.5 -29.0493393639 0.7999999999 0.6747033743 0.0503147546 0.32075301 -3.58092048 -0.03937648 0.97555988 -0.35284939 -0.23649902 0.49191413 0.62286496 -7.20738805 0.81122289 -8.35548476 -2.62150128 -22.75394247 -7.54359894 -24.62444947 1.188E-9 2.656E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.639E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.0000037109999999 0.000008299 0.00001856 0.00004149 0.00009278 97-96-1 7359 144210081 F 2-Ethylbutyraldehyde CCC(CC)C=O Tox21_202883 -NCGC00260373-01 196711845 tox21-ror-cho-viability-p1 set2 4 -3.03260637 -4.62707605 -6.18063838 -8.27780047 -8.52166633 0 -24.45308904 -39.17841394 0 0 -5.62356682 0 0 -3.20222598 -23.83917129 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.484E-7 3.317E-7 7.4179999999E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.000041469999999 0.000092719999999 36727-29-4 161929 144210025 F F Hexanoylchloride,3,5,5-trimethyl- CC(CC(C)(C)C)CC(Cl)=O Tox21_202827 -NCGC00260081-01 196712248 tox21-ror-cho-viability-p1 set2 4 69.0781761974 23.5 1.5 25 0.3 0.6104596103 0.0899657489 0.33419329 0.19731797 2.96201083 4.8674928 3.42325006 6.34566733 8.0109702 9.50562038 7.62305184 5.42229717 2.59698847 8.73779887 7.56472767 11.59014283 19.61435788 1.187E-9 2.6549999999E-9 5.937E-9 1.3279999999E-8 2.968E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.421E-7 0.000001659 0.0000037109999999 0.000008297 0.00001855 0.00004149 0.00009276 13889-92-4 26323 144209730 F F S-(Propyl) chlorothioformate ClC(=O)SCCC Tox21_202532 -NCGC00259932-01 196712256 tox21-ror-cho-viability-p1 set2 4 1.62227949 0.21744242 0.03593504 0.20788747 3.25892458 2.82109014 1.04826177 1.7460866 2.35087379 -0.08005686 1.78217371 2.82189027 0.8370615 2.159275 0.45109796 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.305E-7 7.3889999999E-7 0.0000016519999999 0.0000036949999999 0.000008262 0.000018469999999 0.00004131 0.00009237 2921-88-2 2730 144209581 A B Chlorpyrifos Clc1cc(Cl)c(Cl)nc1OP(=S)(OCC)OCC Tox21_202383 -NCGC00259326-01 196708526 tox21-ror-cho-viability-p1 set2 4 -3.77257056 -2.87645407 -1.00648814 0.23132879 0.64390036 1.47703437 2.12487079 -0.50515592 -0.09021413 1.04925453 0.03867055 1.05620283 0.07983817 -0.15401893 -7.85116298 1.1999999999E-9 2.6819999999E-9 5.9979999999E-9 1.3409999999E-8 2.999E-8 6.7059999999E-8 1.4989999999E-7 3.353E-7 7.497E-7 0.000001676 0.000003749 0.0000083819999999 0.000018739999999 0.00004191 0.00009371 608-73-1 727 144208975 D 1,2,3,4,5,6-Hexachlorocyclohexane ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl Tox21_201777 -NCGC00257146-01 196708121 tox21-ror-cho-viability-p1 set1 4 2.35606413 3.57917864 -2.25038399 0.77314293 0.97752149 4.42973039 4.46716157 9.81414608 4.34950732 -1.93549531 3.45648091 3.97716612 -0.6605095 2.82156031 8.25365948 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 125-33-7 4909 144213511 A A Primidone CCC1(C(=O)NCNC1=O)c2ccccc2 Tox21_303194 -NCGC00257112-01 196708127 tox21-ror-cho-viability-p1 set1 4 6.57342935 0.79657996 -0.4905397 -0.18332444 1.34523778 4.08031021 3.43230486 -0.04236937 1.90597788 1.5602289 -0.28189542 7.34190896 2.48346324 0.94472605 11.24446522 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1563-38-8 15278 144213551 A A 2,3-Dihydro-2,2-dimethyl-7-benzofuranol Oc1cccc2CC(C)(C)Oc12 Tox21_303234 -NCGC00258966-01 196708527 tox21-ror-cho-viability-p1 set2 4 0.40256262 0.05817057 -0.36497709 -0.27888156 1.55004955 2.20001193 -0.3888625 -0.22786227 -0.00130851 0.40610473 4.33063263 0.68863254 1.99975104 4.94642759 3.66428672 1.172E-9 2.621E-9 5.8609999999E-9 1.311E-8 2.931E-8 6.553E-8 1.465E-7 3.276E-7 7.326E-7 0.0000016379999999 0.0000036629999999 0.000008191 0.00001832 0.00004096 0.00009158 124-13-0 454 144208613 B D Octanal CCCCCCCC=O Tox21_201415 -NCGC00259583-01 196708539 tox21-ror-cho-viability-p1 set2 4 10.33332344 7.4418908 10.36245275 9.21724317 6.68110246 -0.07639039 9.31984982 6.27429591 6.30519733 2.06737399 2.18032914 6.76819265 8.57703669 7.40028898 7.35024719 1.171E-9 2.617E-9 5.8529999999E-9 1.3089999999E-8 2.926E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.316E-7 0.0000016359999999 0.000003658 0.00000818 0.00001829 0.0000409 0.00009145 101-02-0 7540 144209232 FC Ac Triphenyl phosphite O(P(Oc1ccccc1)Oc2ccccc2)c3ccccc3 Tox21_202034 -NCGC00259018-01 196708541 tox21-ror-cho-viability-p1 set2 -2.4 54.2057602633 -27.6730232119 -0.5 -28.1730232119 3.9294729863 0.8554188891 0.0019092005 1.11218449 -3.45463653 2.20294119 -2.37254941 -3.29208773 -0.37927147 2.10301085 -4.61420417 0.47617148 1.5372914 -4.95072416 2.53638164 2.38503486 -7.15849606 -25.14418601 1.175E-9 2.628E-9 5.877E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.346E-7 0.000001643 0.000003673 0.0000082129999999 0.000018359999999 0.00004107 0.000091819999999 1478-61-1 73864 144208665 A A Bisphenol AF Oc1ccc(cc1)C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F Tox21_201467 -NCGC00259403-01 196708545 tox21-ror-cho-viability-p1 set2 4 0.0089078516 22.4924853399 -8.9924853399 13.5 0.5 0.507865864 0.187867917 -4.16040445 -1.08331198 5.12191404 0.44331364 2.53641023 14.56369742 1.49870582 13.83289339 16.39208395 2.63996694 17.52542675 16.49550598 4.61134117 16.79646404 5.1728013 1.211E-9 2.707E-9 6.053E-9 1.353E-8 3.0259999999E-8 6.767E-8 1.5129999999E-7 3.3829999999E-7 7.566E-7 0.0000016919999999 0.0000037829999999 0.000008459 0.00001891 0.000042289999999 0.000094569999999 122-59-8 19188 144209052 A A Phenoxyacetic acid O=C(O)COc1ccccc1 Tox21_201854 -NCGC00259376-01 196708944 tox21-ror-cho-viability-p1 set2 4 -1.44006376 -6.2723609 -2.51477417 3.26489857 3.31393431 -3.43782128 2.09865648 -2.16462578 2.37420408 -2.2160967 -6.53153018 -6.48152275 -6.13057381 -0.03224588 3.38898695 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.952E-8 6.6E-8 1.476E-7 3.3E-7 7.379E-7 0.0000016499999999 0.0000036889999999 0.0000082499999999 0.000018449999999 0.00004125 0.000092239999999 51333-22-3 40000 144209025 A A Budesonide OCC(=O)[C@@]53O[C@@H](O[C@@H]5C[C@H]2[C@@H]4CCC1=CC(=O)C=C[C@]1(C)[C@H]4[C@@H](O)C[C@@]23C)CCC Tox21_201827 -NCGC00259752-01 196708946 tox21-ror-cho-viability-p1 set2 4 -1.19861076 1.16395512 -5.6439125 -2.58352342 -4.28415511 -1.88479373 0.46906323 -2.43779762 -4.95723068 -2.37439337 -4.6966653 -4.00941407 -1.38016814 2.3942381 -5.31515957 1.208E-9 2.7E-9 6.038E-9 1.3499999999E-8 3.019E-8 6.75E-8 1.509E-7 3.375E-7 7.547E-7 0.0000016879999999 0.0000037739999999 0.000008438 0.00001887 0.000042189999999 0.00009434 30516-87-1 35370 144209401 A A 3'-Azido-3'-deoxythymidine CC1=CN(C(=O)NC1=O)[C@H]2C[C@H](\N=[N+]=[N-])[C@@H](CO)O2 Tox21_202203 -NCGC00256189-01 196728122 tox21-ror-cho-viability-p1 set3 4 3.10239823 11.348279 -1.02188307 -2.22376079 12.36096596 0.1084342 10.11154347 7.84663012 -4.5801842 9.45533307 3.13568998 1.4343078 5.67710659 0.17274217 -2.96396786 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 501-52-0 107 144212646 A A Hydrocinnamic acid O=C(O)CCc1ccccc1 Tox21_302329 -NCGC00255865-01 196728123 tox21-ror-cho-viability-p1 set3 4 1.9331181962 -6.553502632 7 0.446497368 2.2526478767 0.3265595213 0.3429615399 2.68255479 12.154577 0.07389358 -0.91825693 13.46563544 11.86641455 9.69622208 5.52705424 6.63848677 3.79999221 2.97599619 -2.12791886 3.23076858 -1.37455203 1.04028085 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-91-8 12328 144212337 F A Methyl hexanedioate O=C(CCCCC(=O)O)OC Tox21_302020 -NCGC00255170-01 196728125 tox21-ror-cho-viability-p1 set3 4 -2.56361846 1.78954022 -0.31481052 5.13494587 5.962985 -0.63098052 0.80643011 -0.17405596 2.49731645 1.87041525 3.09328404 2.77029351 -3.01416057 -0.52865293 -2.189778 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 75-50-3 1146 144212672 Trimethylamine CN(C)C Tox21_302355 -NCGC00357130-01 196724437 tox21-ror-cho-viability-p1 set3 4 0.0068589622 12.016169452 -11.516169452 0.5 4.9549173134 0.7615257283 0.0163317775 -9.05521773 -14.18014121 -7.5190248 -0.31608605 -1.50336085 -0.7219226 -1.30434905 -1.65607714 -1.25201011 2.49933368 1.90694995 3.07198395 -1.07563995 -1.23333965 6.93580014 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-72-3 7716 251919841 A Decylbenzene CCCCCCCCCCc1ccccc1 Tox21_303866 -NCGC00260165-01 196724435 tox21-ror-cho-viability-p1 set3 4 1.3685428777 -8.81593622 7 -1.81593622 3.9294729863 0.5846269009 0.1085049868 -1.38898437 4.98224227 3.38812011 9.74906025 7.70719021 4.83731708 13.12157263 10.08203627 10.13971648 0.4384462 -1.14020437 -4.42994685 -3.15397929 -0.3865337 0.30814533 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.0000036889999999 0.000008248 0.00001844 0.00004124 0.00009222 174899-83-3 11258643 144209815 A A 1-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide CCCCn1cc[n+](C)c1.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F Tox21_202617 -NCGC00260549-01 196724436 tox21-ror-cho-viability-p1 set3 4 0.0016785492 7.179435444 -6.179435444 1 4.9549173134 0.5291379492 0.1550704069 -5.98286287 -5.11591742 1.27562772 -2.12049589 3.17970822 0.07564503 1.34594543 4.80889269 0.70535269 -3.75653385 2.71837747 0.52550399 2.23706291 -0.16169731 4.16923062 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49445 144210202 M M NTP Mix57 CT1 62-EQP Tox21_203004 -NCGC00357231-01 196724445 tox21-ror-cho-viability-p1 set3 -2.4 19.3311819617 -20.15086656 0 -20.15086656 4.9549173134 0.8334608936 0.0036157566 -6.39321824 -1.43734622 -3.62857337 -3.11596185 3.23391307 1.72121952 3.02570774 2.38262865 2.9964718 1.88519251 4.28389169 -3.4697896 -7.63475285 -21.7923888 -18.37905223 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 791-31-1 69925 251919732 A Triphenylsilanol O[Si](c1ccccc1)(c2ccccc2)c3ccccc3 Tox21_304018 -NCGC00259806-01 196721232 tox21-ror-cho-viability-p1 set3 -2.2 61.0062525823 -45.202545854 -4 -49.202545854 2.2526478767 0.6838195401 0.0456348505 -16.85302017 -13.05594764 -9.71557968 -2.9267999 1.31094539 -5.47595006 0.87459585 -10.84429306 -0.8802607 -0.90604059 0.29067258 -0.45489626 -11.23040558 -15.13427839 -37.27465595 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018399999999 0.00004115 0.000092019999999 33229-34-4 36383 144209455 A A HC Blue 2 OCCN(CCO)c1ccc(NCCO)c(c1)[N+]([O-])=O Tox21_202257 -NCGC00179456-04 196722416 tox21-ror-cho-viability-p1 set3 4 -0.79239252 -3.08541325 -1.76001702 -0.83320788 1.64024512 -1.14854754 0.08373031 1.14974051 -0.17007579 4.32927452 -10.22110766 3.45489998 -1.79257136 -3.51318086 7.52047855 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 596-51-0 11693 170465427 A Glycopyrrolate bromide [Br-].C[N+]3(C)CCC(OC(=O)C(O)(c1ccccc1)C2CCCC2)C3 Tox21_113144_1 -NCGC00025172-02 196722422 tox21-ror-cho-viability-p1 set3 4 0.084126743 6.0897972799 -5.0897972799 1 2.9522712143 0.3107245444 0.358004767 0.05025563 -2.35744391 -2.61144165 -18.4081644 -4.29378435 -1.23737798 -3.27038827 0 2.01715258 2.46690523 0.89859292 -0.74126183 -1.50853021 -0.70103542 4.52635712 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84088-42-6 54676478 170466254 A Roquinimex CN(c1ccccc1)C(=O)C3=C(O)c2ccccc2N(C)C3=O Tox21_110951_1 -NCGC00259306-01 196721626 tox21-ror-cho-viability-p1 set3 4 -6.11935864 -4.44393407 -0.44338682 6.0330218 -6.44525383 -5.26829131 -6.55670576 -6.11609538 -7.29226063 -2.84832157 -6.53126463 -5.85973779 -5.87444296 2.79821795 1.87163982 1.162E-9 2.5969999999E-9 5.808E-9 1.299E-8 2.9039999999E-8 6.494E-8 1.4519999999E-7 3.247E-7 7.2599999999E-7 0.000001623 0.0000036299999999 0.000008117 0.000018149999999 0.00004059 0.00009075 110-42-9 8050 144208955 A Fc Methyl decanoate O=C(CCCCCCCCC)OC Tox21_201757 -NCGC00258893-01 196721235 tox21-ror-cho-viability-p1 set3 1.4 0.0086261413 15.4552082079 -14.4552082079 1 3.5722481694 0.8937270643 0.0004387526 -14.26727303 -14.54600684 -10.67939424 -1.74223816 2.30278661 1.52541673 -0.49812148 -1.55951852 1.1174093 -0.32233485 -1.96100315 -0.76946853 2.53747579 2.40033473 6.24849385 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.000008236 0.00001842 0.000041179999999 0.00009208 60-56-0 1349907 144208539 A A Methimazole S=C1NC=CN1C Tox21_201341 -NCGC00090962-05 196721242 tox21-ror-cho-viability-p1 set3 4 -5.65192897 -5.25885819 -3.73323896 0.04933684 -2.20832071 -4.78385144 -4.285652 -6.21342644 -1.57636418 0.92295833 -3.27869372 -6.31086784 -4.45428662 -2.92730043 -8.87239435 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00090721-03 196721638 tox21-ror-cho-viability-p1 set3 4 30.6378586933 7.0012396679 -2.0012396679 5 4.9549173134 0.4434541065 0.2326241976 -5.83436639 0.16698164 1.47565543 4.17659157 -2.34956817 -2.36482147 -3.52485821 -0.76777614 -3.507077 -2.66259672 -4.26244158 -4.60365297 -4.07336575 5.21044793 4.23982325 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00259313-01 196721640 tox21-ror-cho-viability-p1 set3 4 42.2230305019 13.108904248 -4.108904248 9 3.0654483358 0.585663165 0.1081287212 -4.88027404 -0.84072956 -0.20320022 1.29290823 -11.34075354 -5.32240617 -4.56260983 -4.83742169 -4.63861895 -4.37859053 -3.74417827 -4.38142884 -4.80305458 2.99779683 7.68699479 1.156E-9 2.585E-9 5.781E-9 1.293E-8 2.891E-8 6.464E-8 1.4449999999E-7 3.232E-7 7.227E-7 0.000001616 0.000003613 0.0000080799999999 0.000018069999999 0.0000404 0.00009033 529-20-4 10722 144208962 A Ac 2-Tolualdehyde Cc1ccccc1C=O Tox21_201764 -NCGC00258951-01 196721643 tox21-ror-cho-viability-p1 set3 4 28.3646053891 10.957557676 -1.957557676 9 4.9549173134 0.4652382269 0.2105901487 -5.43398829 1.11897212 4.52078298 6.78878396 -1.96800935 -7.04796473 -5.61461553 -5.29080711 -4.10488775 -0.22880534 -3.67516482 -3.23551567 -1.80549279 8.8357344 7.7041421 1.218E-9 2.722E-9 6.088E-9 1.361E-8 3.044E-8 6.8059999999E-8 1.522E-7 3.403E-7 7.61E-7 0.000001702 0.000003805 0.0000085079999999 0.000019019999999 0.000042539999999 0.00009512 108-89-4 7963 144208598 A Ac 4-Methylpyridine Cc1ccncc1 Tox21_201400 -NCGC00259142-01 196721649 tox21-ror-cho-viability-p1 set3 -2.2 68.6593799697 -41.8966606472 -4 -45.8966606472 0.9999999999 0.712708468 0.0326324302 -8.22462951 -1.00285604 4.5584266 -1.29445564 -4.33025262 -10.39506018 -7.57582216 -7.05620312 -4.30790109 -0.11729069 -6.70180872 -7.10033486 -17.00347814 -11.03039889 -34.77019746 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.00004125 0.000092249999999 78-51-3 6540 144208791 A A Tris(2-butoxyethyl) phosphate CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC Tox21_201593 -NCGC00021123-03 196722433 tox21-ror-cho-viability-p1 set3 4 -28.68828808 -3.82076253 -2.82831813 -1.79226784 -2.60933235 -3.61715643 -1.54349662 -3.14497215 -0.72148741 3.23136238 -0.87173604 0.05307138 -3.06871528 -0.19229677 4.95884479 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50978-11-5 12598086 170464638 F Diatrizoic acid dihydrate O.O.O=C(C)Nc1c(I)c(c(I)c(NC(C)=O)c1I)C(=O)O Tox21_113395_1 -NCGC00166115-02 196722445 tox21-ror-cho-viability-p1 set3 -1.1 7.4978038628 -107.2558722464 3.4599061005 -103.7959661459 3.0654483358 0.9896487909 1E-9 0.11664857 3.17015341 2.59118609 4.64772435 4.7497979 -1.15493749 0.24892419 -0.93210418 8.18722333 9.19935862 5.09286838 -8.92708688 -72.28546151 -92.5563295 -106.13084473 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77-58-7 16682738 170466843 F Dibutyltin dilaurate O=C(O[Sn](CCCC)(OC(=O)CCCCCCCCCCC)CCCC)CCCCCCCCCCC Tox21_112324_1 -NCGC00024809-07 196722451 tox21-ror-cho-viability-p1 set3 2.2 16.7854920005 53.6578313021 3.0954944259 56.753325728 0.8999999999 0.9178430442 0.0001185959 6.0658511 0.65912 5.04947432 0.71715443 6.14465962 4.92105822 3.06369212 -1.26041088 3.09217757 7.63258804 17.22109586 14.51894151 19.25078878 28.28333854 47.6597143 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54-80-8 4930 170466606 A Pronethalol CC(C)NCC(O)c1ccc2ccccc2c1 Tox21_110927_1 -NCGC00255085-01 196714010 tox21-ror-cho-viability-p1 set2 4 -3.90730008 -4.09410076 -0.43359571 -1.27021865 -0.96249385 2.53785268 0.34119025 -0.05126584 0.48545781 0.50781521 -0.20758205 3.4666334 5.24357004 2.39426301 2.79612768 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 115-84-4 61038 144211504 A A 2-Butyl-2-ethyl-1,3-propanediol CCCCC(CO)(CO)CC Tox21_301187 -NCGC00254370-01 196714798 tox21-ror-cho-viability-p1 set2 4 -2.62169791 -1.92810368 -1.5185343 0.3243917 1.48382314 1.34462289 0.19300394 1.66170707 1.71364561 1.52819438 0.98038712 -0.03857811 1.11978473 -0.86149485 3.64094694 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-86-2 7410 144210661 A Ac Acetophenone CC(=O)c1ccccc1 Tox21_300343 -NCGC00253986-01 196714405 tox21-ror-cho-viability-p1 set2 4 0.44720417 -7.79998511 0.83139632 0.06566112 -3.67965238 -3.27953844 -5.77833558 -1.41956147 -6.48866787 -1.65071805 -0.19815067 -1.54378615 -6.58352952 -0.45282023 -1.9743556 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-53-4 7242 144210499 A Fc 2-Methylaniline Cc1ccccc1N Tox21_300179 -NCGC00254992-01 196713997 tox21-ror-cho-viability-p1 set2 4 -0.82277698 3.6771672 1.13190749 0.19471845 3.64777177 0.97999552 1.21145807 -1.6914265 0.41570628 4.52955524 2.9643948 3.87848842 7.1991977 3.90094339 4.1509962 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-58-4 7877 144211409 A Ac tert-Butylacrylamide CC(C)(C)NC(=O)C=C Tox21_301092 -NCGC00163724-03 196714404 tox21-ror-cho-viability-p1 set2 4 27.3060203028 -13.2125581839 -0.5 -13.7125581839 4.9549173134 0.4679693322 0.2076772465 0.53551829 -0.34554421 5.24644393 2.58219271 -1.45552138 2.32293503 1.74104851 -13.08918383 -0.20066036 2.21875813 -8.20567638 0.7333319 -0.3444588 -13.92713182 -12.05031904 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00253925-01 196714419 tox21-ror-cho-viability-p1 set2 4 0.0232955727 -14.196806712 1.5 -12.696806712 0.4 0.7220712999 0.0367503024 -1.21047897 -2.31643624 0.52309579 -1.60163499 -7.05108105 -6.61556185 -8.35776751 -6.98186779 -5.41593382 -5.9450942 -12.87858856 -14.33067226 -11.99889108 -9.12571868 -4.6569463 3.598E-10 8.046E-10 1.7989999999E-9 4.023E-9 8.9949999999E-9 2.011E-8 4.4979999999E-8 1.0059999999E-7 2.2489999999E-7 5.029E-7 0.000001124 0.0000025139999999 0.000005622 0.00001257 0.000028109999999 1401-55-4 16129778 144210399 Tannic acid OC1=CC(=CC(O)=C1O)C(=O)OC1=CC(=CC(O)=C1O)C(=O)OC[C@H]1O[C@@H](OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)[C@H](OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)[C@@H](OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)[C@@H]1OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1 Tox21_300079 -NCGC00254076-01 196714420 tox21-ror-cho-viability-p1 set2 4 2.38067582 -0.44259206 2.93962815 0.37680754 -0.68715846 2.90688783 1.61719794 0.44059219 0.05398307 -0.79369115 1.66781039 4.65672216 7.94056467 2.3935431 0.20738033 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-59-8 7057 144210368 A A 2-Naphthylamine Nc1ccc2ccccc2c1 Tox21_300048 -NCGC00091663-03 196714422 tox21-ror-cho-viability-p1 set2 4 -3.70947108 0.56542778 0.44832903 -7.08175265 -1.69532249 -4.14948816 -1.752459 -4.41803545 -3.09223834 -4.83118721 -5.60612737 -4.83954776 -11.0430383 -1.3985627 1.87178836 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00257851-01 196715649 tox21-ror-cho-viability-p1 set2 4 0.79047049 -0.86814197 -4.04512718 -5.27902931 0.20779194 -2.43692281 -2.34196232 -2.88107719 -2.71923521 -0.78178543 0.7414331 -0.06924318 -0.5191966 -0.73686581 -7.86068476 1.216E-9 2.719E-9 6.0809999999E-9 1.36E-8 3.04E-8 6.7979999999E-8 1.5199999999E-7 3.3989999999E-7 7.6009999999E-7 0.0000016999999999 0.0000037999999999 0.0000084979999999 0.000018999999999 0.00004249 0.00009501 15950-66-0 27582 144207495 A A 2,3,4-Trichlorophenol Oc1ccc(Cl)c(Cl)c1Cl Tox21_200297 -NCGC00258256-01 196716074 tox21-ror-cho-viability-p1 set2 4 0.75483185 0.57830801 -2.47413136 -0.86462751 5.14156091 -0.40771306 0.80749432 -2.36196656 0.39634185 -0.43038721 0.28836872 0.34814973 1.4395559 1.27828508 0.61437924 1.2009999999E-9 2.686E-9 6.005E-9 1.3429999999E-8 3.003E-8 6.714E-8 1.501E-7 3.3569999999E-7 7.506E-7 0.0000016779999999 0.000003753 0.0000083919999999 0.000018769999999 0.00004196 0.000093829999999 102-81-8 7621 144207900 A Fc 2-(Dibutylamino)ethanol CCCCN(CCCC)CCO Tox21_200702 -NCGC00257672-01 196716085 tox21-ror-cho-viability-p1 set2 4 -2.8553682 2.28865532 -0.80441448 1.93111552 0.03238409 -1.58690163 0.89910699 0 0.68848351 -2.11723919 -2.42717341 -1.61470289 -0.85266654 -2.07921194 -0.06435714 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.6E-8 1.476E-7 3.3E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.00004125 0.000092239999999 61755-34-8 11499271 144207316 A A 1-(2-Hydroxyethyl)-3-methylimidazolium chloride [Cl-].C[n+]1ccn(CCO)c1 Tox21_200118 -NCGC00258471-01 196716086 tox21-ror-cho-viability-p1 set2 4 3.18290686 -12.41071502 0.23149111 0 -0.18901359 2.41015936 2.30435129 -0.52612092 -0.26386045 3.56150558 2.35580663 0.88660122 -3.19648201 2.32982599 3.98935968 1.2049999999E-9 2.694E-9 6.0249999999E-9 1.347E-8 3.012E-8 6.736E-8 1.506E-7 3.368E-7 7.5309999999E-7 0.0000016839999999 0.000003766 0.0000084199999999 0.000018829999999 0.0000421 0.000094139999999 611-23-4 11909 144208115 FC 2-Nitrosotoluene Cc1ccccc1N=O Tox21_200917 -NCGC00259829-01 196709369 tox21-ror-cho-viability-p1 set2 -3 68.0319836447 -40.571473164 0.5 -40.071473164 4.9549173134 0.9424579225 0.0000181092 2.31019002 0.12039842 -1.4159728 3.56370599 1.13743641 -1.62849375 4.57836799 -1.92411638 -1.39167127 -0.31973766 -1.29867882 -2.0352336 0.67024254 -0.86357286 -32.55956097 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.552E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.000003662 0.00000819 0.00001831 0.00004095 0.00009156 27138-31-4 101560 144209478 A A Di(propylene glycol) dibenzoate CC(OC(=O)c1ccccc1)COCC(C)OC(=O)c2ccccc2 Tox21_202280 -NCGC00259900-01 196709362 tox21-ror-cho-viability-p1 set2 4 55.0372028519 -21.05444674 2 -19.05444674 3.9294729863 0.8600089147 0.0016527538 5.39502211 -0.29603794 0.05824143 -0.34127076 4.90914876 2.00216816 -0.04042678 0.12756682 0.44243054 0.7188082 3.65471376 3.89130721 2.94584268 -3.51706326 -16.71203895 1.19E-9 2.6619999999E-9 5.9519999999E-9 1.331E-8 2.976E-8 6.655E-8 1.4879999999E-7 3.3269999999E-7 7.44E-7 0.0000016639999999 0.00000372 0.000008319 0.0000186 0.00004159 0.000093 80-46-6 6643 144209549 A A 4-(2-Methylbutan-2-yl)phenol Oc1ccc(cc1)C(C)(C)CC Tox21_202351 -NCGC00259881-01 196709378 tox21-ror-cho-viability-p1 set2 4 -1.47509623 -0.39837173 -1.81140307 -2.11535433 -0.54751336 -4.01444509 -2.44786602 -2.05419504 -4.24652266 0.92480439 0.76055763 0.00881239 2.2592571 0.2113385 0.40095822 1.193E-9 2.6679999999E-9 5.967E-9 1.3339999999E-8 2.9829999999E-8 6.671E-8 1.4919999999E-7 3.3359999999E-7 7.458E-7 0.000001668 0.0000037289999999 0.000008339 0.00001865 0.000041689999999 0.00009323 4065-45-6 19988 144209530 A A Sulisobenzone OS(=O)(=O)c1cc(c(O)cc1OC)C(=O)c2ccccc2 Tox21_202332 -NCGC00255387-01 196709783 tox21-ror-cho-viability-p1 set2 4 -0.68623659 -2.35366624 -3.35390149 -1.93416697 -1.9191181 -2.10040936 -3.23711402 -0.14839752 -3.0857618 -4.10761243 -1.53917608 1.06423988 -1.97566827 -0.3443015 3.2841838 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13952-84-6 24874 144211638 FNS 2-Butanamine CC(N)CC Tox21_301321 -NCGC00255825-01 196709785 tox21-ror-cho-viability-p1 set2 2.4 30.6378586933 22.0792193801 0.9207806199 23 0.8999999999 0.9314826591 0.0000464064 0.15694715 -0.06601615 0.11139439 2.85462378 2.10560329 0.73715701 0.260127 1.50664368 1.07463808 3.95003428 2.8361847 7.85786657 8.61734657 10.72024528 19.29969968 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1541-81-7 73764 144211553 A Fc 4-Dodecylmorpholine CCCCCCCCCCCCN1CCOCC1 Tox21_301236 -NCGC00255280-01 196709787 tox21-ror-cho-viability-p1 set2 4 3.19578106 0.95549181 0.84163737 1.24497691 -1.45747227 -1.86397709 -1.80857511 3.06658019 1.05809506 -1.96645349 3.60369188 3.71907107 1.35155397 2.29394157 0.08446484 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 671-16-9 4915 144212055 A D Procarbazine CC(C)NC(=O)c1ccc(CNNC)cc1 Tox21_301738 -NCGC00255569-01 196710194 tox21-ror-cho-viability-p1 set2 4 2.3838696 2.65692359 4.63055737 3.39070481 3.03445175 3.96389502 0.34769835 1.04357209 0.21691018 0.08495696 0.8495226 -0.36245065 -0.18352239 -0.61214879 -4.7094399 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2104-96-3 16422 144212235 D Bromofos Clc1cc(OP(=S)(OC)OC)c(Cl)cc1Br Tox21_301918 -NCGC00255815-01 196710195 tox21-ror-cho-viability-p1 set2 -1.1 6.8171322038 -73.0267970563 0.1245966119 -72.9022004444 1.92824246 0.992214685 2E-10 -1.01970995 4.77051495 -0.41372992 -0.09151963 0.62220877 -1.33247561 -0.63123625 -3.5557836 1.07146205 -2.77307994 -18.96928154 -39.39534386 -67.18761332 -67.00570779 -73.98351893 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 594-30-9 299728 144212639 F Triphenylbismuthine dichloride Cl[Bi](Cl)(c1ccccc1)(c2ccccc2)c3ccccc3 Tox21_302322 -NCGC00255856-01 196710197 tox21-ror-cho-viability-p1 set2 -3 76.6458749207 -113.2035121139 5.541802434 -107.6617096799 4.9549173134 0.8153385645 0.005651959 0.38445366 3.07159217 3.95149478 0.6909521 0.00014363 0.48246615 2.05581768 2.18811661 -1.16873505 0.96245126 0.71409312 12.69327999 38.56437235 14.85751639 -84.58679285 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004107 0.00009184 1541-67-9 352309 144211846 A A Lauryldiethanolamine OCCN(CCCCCCCCCCCC)CCO Tox21_301529 -NCGC00255264-01 196710201 tox21-ror-cho-viability-p1 set2 -2.2 27.3060203028 -64.5118864084 2.2217412005 -62.2901452079 0.8999999999 0.9707092468 4.239E-7 3.43429584 2.69524151 2.52537096 3.65672165 3.56088197 2.06322999 1.53200731 2.0175761 -1.33591123 -7.99081847 -7.81199722 -16.27133456 -19.21118546 -33.55174654 -51.90845434 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 728-40-5 69765 144212067 A A 2,6-Di-tert-butyl-4-nitrophenol CC(C)(C)c1cc(cc(c1O)C(C)(C)C)[N+]([O-])=O Tox21_301750 -NCGC00255729-01 196710204 tox21-ror-cho-viability-p1 set2 4 -2.10193844 -9.61381934 -2.75950629 -4.93519295 -0.34510157 -3.36407014 -4.56909708 1.43072143 -4.01510218 -2.75553607 -3.54781768 0.09237517 -2.75358054 1.57843979 -4.67281852 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-08-0 6516 144212484 F Ethenyl(triethoxy)silane CCO[Si](OCC)(OCC)C=C Tox21_302167 -NCGC00256925-01 196707306 tox21-ror-cho-viability-p1 set1 4 54.4826732819 12.8972477959 -1.8972477959 11 0.5 0.5199332459 0.1627779773 -4.00293972 -1.74254442 0.96359813 0.28814312 -2.06492758 -5.33103983 -1.71194921 -1.06688315 0.47170801 -1.60897843 0.30179006 6.66041683 0.54712933 1.12063615 7.5830551 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2469-55-8 17181 144213032 A A 3,3'-(1,1,3,3-Tetramethyldisiloxane-1,3-diyl)dipropan-1-amine C[Si](C)(CCCN)O[Si](C)(C)CCCN Tox21_302715 -NCGC00188690-02 196726110 tox21-ror-cho-viability-p1 set3 4 1.34856911 2.41816904 7.15831156 1.5020761 -0.37127326 -3.52580213 16.85771339 0.23559162 6.69092454 3.44158848 -0.28034619 2.76472938 4.10270651 6.704407 1.06276798 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 389574-19-0 10158453 170465441 A Prasugrel Cl.Fc1ccccc1C(N2CCc3sc(cc3C2)OC(C)=O)C(=O)C4CC4 Tox21_113621_1 -NCGC00183852-01 196725701 tox21-ror-cho-viability-p1 set3 4 2.11800173 2.89036955 -0.42374104 -1.35884391 1.28790794 1.86102686 5.36753863 1.81066044 -0.43402889 -0.21322979 1.93795026 3.66351544 0.0299768 1.71692624 2.73669076 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2001-81-2 71809 144206825 A A Diponium bromide [Br-].CC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C2CCCC2 Tox21_113274 -NCGC00025357-04 196725707 tox21-ror-cho-viability-p1 set3 4 2.31161746 0.00302694 1.48343799 -5.05409355 2.71090822 -2.87725011 -3.94848093 5.34981131 6.65052432 2.75261232 -4.15980498 0.1627223 5.14362726 -3.00371683 9.9022413 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 65141-46-0 47528 170465582 A Nicorandil O=C(NCCO[N+]([O-])=O)c1cccnc1 Tox21_110968_1 -NCGC00022391-05 196726099 tox21-ror-cho-viability-p1 set3 4 14.9600854925 -24.336761984 -1 -25.336761984 1.2221 0.5157544506 0.164284157 -3.65535657 0 -0.19202907 -3.18220792 7.94459106 0.86443729 2.49691265 -17.74000753 -2.84836413 6.6891673 -6.21827872 -4.88084543 -8.94110982 -14.53591949 -21.11396832 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2169-64-4 16574 170466075 A 6-Azaribine CC(=O)OC[C@H]2O[C@@H](N1N=CC(=O)NC1=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O Tox21_110878_1 -NCGC00256323-01 196726518 tox21-ror-cho-viability-p1 set3 4 -4.46824079 -6.09586069 -2.34057584 2.14200059 2.08554534 2.54835277 1.46103302 -3.24399293 -0.16216445 0 0 -0.38800087 2.0205514 1.64681881 -1.1656552 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131-57-7 4632 144213169 A A 2-Hydroxy-4-methoxybenzophenone O=C(c1ccc(cc1O)OC)c2ccccc2 Tox21_302852 -NCGC00257187-01 196726519 tox21-ror-cho-viability-p1 set3 4 19.3311819617 -19.433102228 0.5 -18.933102228 4.9549173134 0.9413297523 0.0000201591 0.72555237 1.99034066 0.61278112 1.93398562 -1.36575694 1.53210361 1.35057413 -0.62440431 -0.01766719 1.06533345 0.41964898 -0.08594157 -8.76929546 -22.02758519 -14.84249431 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 72-14-0 5340 144213555 A A Sulfathiazole O=S(=O)(Nc1nccs1)c2ccc(N)cc2 Tox21_303238 -NCGC00256723-01 196726614 tox21-ror-cho-viability-p1 set3 4 -0.34103733 0.54027132 0.89078625 4.68348677 0.1173652 0.99041889 6.37052756 0.4749888 7.02296445 -0.10688864 -13.17926416 -0.08177129 0.13299579 5.50833885 -1.62825495 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 644-35-9 12570 144212869 A B 2-Propylphenol Oc1ccccc1CCC Tox21_302552 -NCGC00166076-07 196726182 tox21-ror-cho-viability-p1 set3 4 0.0007497804 14.268671348 -14.768671348 -0.5 4.9549173134 0.3778946381 0.3104545807 -11.47389279 0 1.15637211 -0.01741705 -3.53407002 2.3686178 2.42708213 -7.6277513 2.01550639 -4.08191077 2.61221879 -7.84718778 2.51258928 0.6203642 -7.62341939 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 497-76-7 440936 170465722 A Arbutin Oc1ccc(cc1)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O Tox21_111509_1 -NCGC00016637-10 196726189 tox21-ror-cho-viability-p1 set3 4 0 -3.48764887 0.71202533 -8.17889517 -6.18542467 -5.41134084 -6.67714211 2.79746762 -1.51291828 1.97000349 -0.30691021 0.98797943 -3.07950845 -2.116554 -2.57250228 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3736-81-0 19529 170466783 A Diloxanide furoate ClC(Cl)C(=O)N(C)c1ccc(cc1)OC(=O)c2ccco2 Tox21_113492_1 -NCGC00256506-01 196726602 tox21-ror-cho-viability-p1 set3 4 -0.17549866 -4.65225708 -8.84480808 -5.30015279 -7.08066797 -2.81690095 -3.54111528 -0.09430799 -3.68294775 -2.58152448 -4.4804985 -0.19953684 -0.25455814 -3.40136017 -5.3510246 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 79-19-6 2723789 144213300 A Thiosemicarbazide NC(=S)NN Tox21_302983 -NCGC00256371-01 196727021 tox21-ror-cho-viability-p1 set3 4 -4.9957185 -4.44582756 -3.03587884 3.89157866 -4.69071543 -4.06936074 -12.81935106 -21.64931496 -1.08754331 0 -1.46922567 2.8925145 -4.39442704 -1.98566901 -3.53112484 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-68-1 5327 144213323 A A Sulfamethazine O=S(=O)(Nc1nc(C)cc(C)n1)c2ccc(N)cc2 Tox21_303006 -NCGC00090702-02 196727431 tox21-ror-cho-viability-p1 set3 4 -0.04263589 0.06685107 4.31518308 4.46337061 1.62223222 0.62215457 7.44978444 4.64474127 5.57490481 0.51607724 0 0.30125945 7.88677004 0.57189571 4.1813035 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00164582-02 196723689 tox21-ror-cho-viability-p1 set3 4 0.2113168243 -6.2967272439 2.5 -3.7967272439 4.9549173134 0.8285759334 0.006162082 1.92547086 2.6173988 2.89594864 0.22084706 6.09520705 1.7199521 3.21207946 1.40187594 -4.93590616 -5.66393937 -3.1535151 -3.55110109 -2.77250162 -2.69878431 15.79785527 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 30748-29-9 35455 170465969 A Feprazone C/C(C)=C\CC2C(=O)N(c1ccccc1)N(C2=O)c3ccccc3 Tox21_112208_1 -NCGC00162068-06 196723686 tox21-ror-cho-viability-p1 set3 4 3.3491459627 -10.297063084 -1 -11.297063084 4.9549173134 0.842505575 0.0043251744 -2.688394 -2.99897558 -1.63781498 -1.8865163 -3.25548652 1.07902976 -1.68516948 -1.08978464 2.5345399 -0.24606172 -0.5459666 -8.46315364 -12.74755257 -9.51142103 2.83652679 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 909-39-7 71587 170465942 A Opipramol dihydrochloride Cl.Cl.OCCN1CCN(CC1)CCCN3c4ccccc4C=Cc2ccccc23 Tox21_111210_1 -NCGC00253713-01 196723687 tox21-ror-cho-viability-p1 set3 4 -1.47405724 0.15017191 2.13622713 3.35175302 -0.2414052 4.29702872 -0.03533712 0.33524567 3.68847235 -3.38043446 -5.60084504 -2.40488836 0.46334711 -2.02040458 1.87762453 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72479-26-6 51755 170466486 Ac Ac Fenticonazole nitrate Clc4ccc(C(OCc2ccc(Sc1ccccc1)cc2)Cn3ccnc3)c(Cl)c4 Tox21_113832 -NCGC00253771-01 196723688 tox21-ror-cho-viability-p1 set3 4 -0.80596894 -2.17502578 -3.8006735 -0.12551388 -0.89488023 -0.95165068 -0.52165854 -0.69152072 -6.77293827 -4.67407995 -5.33376298 -3.62952541 -5.90942047 -5.21579838 -0.09480739 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 30187-90-7 146256 170466515 A A Xibenolol CC(C)(C)NCC(O)COc1cccc(C)c1C Tox21_113884 -NCGC00178318-04 196723705 tox21-ror-cho-viability-p1 set3 4 37.5780357627 18.17983364 -0.17983364 18 4.9549173134 0.4895242299 0.1881545028 -2.01049795 -0.44375055 -2.90449127 7.7243563 -4.08356197 -4.59295096 -4.1208222 5.9293013 2.6566896 -1.40425569 3.44537368 2.2827118 -1.4000714 -4.7331947 15.42989898 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 19767-45-4 23662354 170464862 F Sodium 2-mercaptoethanesulfonate [Na+].[O-]S(=O)(=O)CCS Tox21_112767_1 -NCGC00256676-01 196718327 tox21-ror-cho-viability-p1 set2 4 -0.6349082 -6.14611041 -0.57070889 1.85580386 -6.80552539 0.86827526 -1.94882378 -4.71235025 0.06520028 -6.33301396 0.51090211 -5.08798285 1.96859511 -1.66871024 1.36762615 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5205-11-8 21265 144213022 A A 3-Methyl-2-butenyl benzoate C/C(C)=C\COC(=O)c1ccccc1 Tox21_302705 -NCGC00167529-02 196717917 tox21-ror-cho-viability-p1 set2 4 0.2113168243 7.1855431279 -4.1855431279 3 2.3031167061 0.7032525675 0.0370135831 -8.07128594 -5.48017839 -4.26202413 -0.89373205 -1.7234672 -6.81997159 -2.09517272 -1.85274232 0.95159051 3.77244548 4.53875725 0.33140992 6.73328646 3.78686225 0.13479473 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122892-31-3 129791 170465974 A Itopride hydrochloride Cl.COc1cc(ccc1OC)C(=O)NCc2ccc(OCCN(C)C)cc2 Tox21_112526_1 -NCGC00263568-01 196717921 tox21-ror-cho-viability-p1 set2 -2.4 1.8833631789 -26.0817032919 3.5 -22.5817032919 0.7999999999 0.9120605664 0.0001684989 2.72342351 0.20126459 2.17155929 4.54366376 2.98115033 4.7825683 5.02909264 0.80073442 -2.47482423 -10.05804791 -8.38606224 -11.50184419 -12.40418844 -24.65141941 -19.16348075 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 125317-39-7 16051941 170465330 A Vinorelbine tartrate O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O.O=C(OC)[C@@]2(C[C@@H]4C=C(CC)C[N@](Cc1c3ccccc3nc12)C4)c5cc9c(cc5OC)N(C)[C@@H]6[C@]98CCN7CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]6(O)C(=O)OC)[C@H]78 Tox21_112271_1 -NCGC00093889-12 196717933 tox21-ror-cho-viability-p1 set2 4 3.47619641 -0.16330509 2.46005199 5.44495353 5.30857224 2.36126227 0.36141787 2.55503084 0.51247416 -0.54464129 0.78070648 0.786617 3.74319558 -1.89818525 1.23780345 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-47-6 5983 170465757 A Physostigmine CNC(=O)Oc1cc2c(cc1)N(C)[C@H]3N(C)CC[C@@]23C Tox21_111228_1 -NCGC00256956-01 196718341 tox21-ror-cho-viability-p1 set2 4 5.4482673282 4.958887236 -4.458887236 0.5 3.1319983358 0.3460273276 0.3260380721 -5.90036655 -3.68292233 -0.74869227 -9.59582606 0.08138158 -4.85602972 -4.96072443 -0.78282675 -3.72993673 -10.38240603 -2.05980578 -0.62747231 -1.09341938 0.39933408 2.44169879 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-98-7 31368 144213489 FNS Methacrylonitrile C=C(C)C#N Tox21_303172 -NCGC00257465-01 196718351 tox21-ror-cho-viability-p1 set2 4 61.130564862 -17.156181072 1 -16.156181072 1.8079476909 0.6673306102 0.0548144737 0.52748903 -0.39917295 0.05594859 -0.36498573 0.51590823 4.79194162 -1.45935093 1.33904029 -0.29610526 4.77670294 4.96562742 -2.95841308 -2.25590665 -2.70841986 -11.79681756 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 501-36-0 445154 144213690 A A Resveratrol Oc2cc(/C=C/c1ccc(O)cc1)cc(O)c2 Tox21_303376 -NCGC00257172-01 196718743 tox21-ror-cho-viability-p1 set2 4 -1.87362265 0.95573957 -1.80353285 0.09861539 -0.19280223 -0.01511254 0.12392672 1.82854059 -0.23701533 -0.49151013 1.58011259 0.24866793 -3.34181834 0.92029567 4.125354 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 109-09-1 7977 144213624 F 2-Chloropyridine Clc1ccccn1 Tox21_303307 -NCGC00257222-01 196718745 tox21-ror-cho-viability-p1 set2 4 -3.25951093 -1.91215047 -2.67190099 -1.23258887 0.3260908 -2.41415281 -0.88543622 -1.23197897 0.44830367 1.2850754 1.67064106 -4.53627007 -1.70151197 -1.12566253 -3.72092046 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 623-17-6 12170 144213459 F Ac Furfuryl acetate O=C(C)OCc1ccco1 Tox21_303142 -NCGC00255188-01 196710266 tox21-ror-cho-viability-p1 set2 4 43.2771256911 14.512122 -4.012122 10.5 3.1319983358 0.4919617818 0.1861167385 -6.33964201 -1.48410521 -0.49105961 -0.06503508 -2.63366047 0.53950229 -5.79613794 -8.47270838 -0.04499226 -0.52787303 -5.6688284 -10.843435 -8.33577873 4.18737235 8.93685454 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 134308-13-7 4659569 144212731 A A Tolcapone Oc1cc(cc([N+]([O-])=O)c1O)C(=O)c2ccc(C)cc2 Tox21_302414 -NCGC00255207-01 196710284 tox21-ror-cho-viability-p1 set2 4 27.3060203028 -11.532147544 0 -11.532147544 4.9549173134 0.814441121 0.0084911334 -3.32973595 -0.10517747 0.66791913 -2.73895187 1.48076626 0.30163363 0.03548081 -0.12998284 0.69681267 0.52989417 0.3543494 0.55699389 -0.02446715 -11.27678962 -3.01672393 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6789-88-4 23235 144212664 A F Hexyl benzoate O=C(OCCCCCC)c1ccccc1 Tox21_302347 -NCGC00255241-01 196709872 tox21-ror-cho-viability-p1 set2 4 0.88176044 0.24936277 1.78751338 0.76992115 1.18942616 2.00460146 -1.48501706 -1.82898113 -1.09469511 -0.90352436 -1.23601972 -2.10859743 -0.24833278 -0.90466852 3.13512262 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51000-52-3 22833395 144211713 Z Fns Vinyl neodecanoate C=COC(=O)C(C)(CCC(C)C)CC Tox21_301396 -NCGC00255769-01 196709875 tox21-ror-cho-viability-p1 set2 4 -0.58679757 0.34584931 -0.67909895 -2.3399574 0.44608523 -1.78526348 -6.78429456 -5.27476238 -3.62072119 -3.85601147 -3.32265108 -7.77307393 -2.05408378 -0.09459669 -5.91056204 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 350-03-8 9589 144212436 A Fns 3-Acetylpyridine CC(=O)c1cccnc1 Tox21_302119 -NCGC00256086-01 196710285 tox21-ror-cho-viability-p1 set2 4 -2.13658758 -3.42013597 -3.42938466 -4.12246233 -4.60140124 -1.5773251 -8.13540251 -6.99163322 1.15655102 -4.31939784 -10.15698516 -1.4128022 -3.96214318 0.12418553 -1.60677552 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 491-35-0 10285 144212146 A Ac Lepidine Cc1ccnc2ccccc12 Tox21_301829 -NCGC00257537-01 196710683 tox21-ror-cho-viability-p1 set2 4 0.0015355304 11.7567306199 -10.7567306199 1 4.9549173134 0.7842733496 0.0113116138 -8.13060885 0.52683779 -0.01441493 2.04665893 -1.16288923 1.042724 -0.61008505 1.71972191 2.17021708 1.87713144 0.04964452 2.28579033 0.44799773 1.4149478 -1.27678226 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 640-19-7 12542 144211614 A A 2-Fluoroacetamide FCC(N)=O Tox21_301297 -NCGC00255885-01 196710686 tox21-ror-cho-viability-p1 set2 4 4.86917091 3.87640241 -1.54984696 1.91780564 1.76181144 0.25803281 -0.58167992 -1.65505316 -0.57511492 2.95907973 0.08641787 2.01923047 3.62256234 1.58677232 3.22613643 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 1643-19-2 74236 144212466 A A Tetrabutylammonium bromide [Br-].CCCC[N+](CCCC)(CCCC)CCCC Tox21_302149 -NCGC00256312-01 196710688 tox21-ror-cho-viability-p1 set2 4 -2.99529704 0.90053379 -2.05094114 1.08550749 1.31215802 -3.60245094 0.97442074 0.23854058 -0.41873872 -0.38414501 -2.57203765 1.26622557 -1.89694515 0.65256698 -2.27528061 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68555-86-2 23703979 144212202 F Acid Orange 156 [Na+].O=S([O-])(=O)c3ccc(/N=N/c2cc(OC)c(/N=N/c1ccc(OC)cc1)cc2C)cc3 Tox21_301885 -NCGC00255851-01 196710694 tox21-ror-cho-viability-p1 set2 4 61.130564862 -10.165773672 1.5 -8.665773672 4.5044702849 0.6813413385 0.0483132806 1.09698771 6.2560319 -0.22861104 1.33639339 1.56791606 2.43336991 1.21031702 1.27593106 1.58712086 0.46956961 -0.4511947 1.77710391 0.24649192 0.0688536 -7.22147806 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1135-66-6 11127402 144212570 D F (-)-Isolongifolene CC2(C)C3=CCCC(C)(C)[C@]13C[C@@H]2CC1 Tox21_302253 -NCGC00256165-01 196710698 tox21-ror-cho-viability-p1 set2 4 0.595562 0.67160752 1.72234475 1.71827723 0.34226045 1.7192573 0.27533837 1.78398208 1.12776271 1.11339149 -0.38087332 1.95174228 1.25587402 2.29680915 -0.60458031 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57116-45-7 92667 144212567 F Fns 3-{[3-(Aziridin-1-yl)propanoyl]oxy}-2-({[3-(aziridin-1-yl)propanoyl]oxy}methyl)-2-(hydroxymethyl)propyl 3-(aziridin-1-yl)propanoate OCC(COC(=O)CCN1CC1)(COC(=O)CCN2CC2)COC(=O)CCN3CC3 Tox21_302250 -NCGC00256253-01 196710699 tox21-ror-cho-viability-p1 set2 4 61.0684034629 -14.617451844 2.5 -12.117451844 3.6772481694 0.7038932204 0.0369044982 3.24207844 4.99346693 1.73091546 2.75095483 6.76978614 4.32129815 0.40324521 -0.20181846 -0.28442836 3.17791016 1.76027739 -0.13059104 1.35113175 -0.08708753 -9.68120987 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 620-40-6 24321 144212656 A A Tribenzylamine C(N(Cc1ccccc1)Cc2ccccc2)c3ccccc3 Tox21_302339 -NCGC00255919-01 196710703 tox21-ror-cho-viability-p1 set2 4 4.0328641 1.61942342 1.6017991 0.09846896 1.53132958 1.4410303 1.77167522 0.20881864 0.91490171 0.12441055 0.75938112 1.99769942 -0.74996401 -0.27680396 5.43910526 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13361-34-7 96359 144212461 A C 2-Ethylhexyl cyanoacetate O=C(CC#N)OCC(CCCC)CC Tox21_302144 -NCGC00255224-01 196710704 tox21-ror-cho-viability-p1 set2 4 1.44298238 4.15407884 3.29667466 -0.66215547 1.74161166 4.52555734 0.48201487 0.95618578 0.23356151 -0.59890551 0.73862526 1.92636464 1.96639843 0.1049075 2.88420463 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24448-94-0 90509 144211554 A A 5,5-Dimethylbarbituric acid CC1(C)C(=O)NC(=O)NC1=O Tox21_301237 -NCGC00258827-01 196708974 tox21-ror-cho-viability-p1 set2 4 -0.57874035 -1.46680533 -1.95112446 -5.93067328 -1.28182759 -3.88993764 -3.26710781 -0.48383146 -3.36019356 -2.68244445 -3.14441985 -4.3442518 1.99491334 2.38603375 1.92719 1.155E-9 2.583E-9 5.776E-9 1.291E-8 2.8879999999E-8 6.457E-8 1.444E-7 3.229E-7 7.2199999999E-7 0.000001614 0.0000036099999999 0.0000080719999999 0.000018049999999 0.00004036 0.000090239999999 95-87-4 7267 144208473 A A 2,5-Dimethylphenol Cc1cc(O)c(C)cc1 Tox21_201275 -NCGC00259813-01 196709382 tox21-ror-cho-viability-p1 set2 4 61.7527572729 -20.8772626759 1 -19.8772626759 3.2974983358 0.9319339046 0.0000450653 1.2411116 0.21181752 2.74838023 -0.02388798 1.581491 1.13117764 0.80762897 0.17637549 -0.42249073 0.71189604 4.02520587 -0.1718234 -0.23368006 -2.98972238 -15.73105223 1.19E-9 2.661E-9 5.95E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003719 0.000008315 0.00001859 0.00004157 0.000092959999999 58-33-3 6014 144209462 A A Promethazine hydrochloride Cl.CN(C)C(C)CN1c3ccccc3Sc2ccccc12 Tox21_202264 -NCGC00259224-01 196708976 tox21-ror-cho-viability-p1 set2 -1.1 0.2195490218 -95.8185213862 2.5120816462 -93.30643974 1.692447691 0.9860412766 5.9E-9 -0.33184004 2.67777346 1.48152651 1.03966812 2.41044769 -0.83813005 -41.57701903 -52.17938496 -87.30119957 -90.40585883 -88.94574442 -88.5475961 -97.50733633 -97.80549239 -93.90819751 1.1919999999E-9 2.6659999999E-9 5.962E-9 1.333E-8 2.981E-8 6.6659999999E-8 1.491E-7 3.3329999999E-7 7.4529999999E-7 0.0000016669999999 0.000003726 0.000008333 0.00001863 0.00004166 0.00009316 683-18-1 12688 144208873 A Ac Dibutyltin dichloride CCCC[Sn](Cl)(Cl)CCCC Tox21_201675 -NCGC00259266-01 196708984 tox21-ror-cho-viability-p1 set2 4 -0.61671934 -0.51561136 1.87279627 -0.77255865 -2.87409748 -0.44819687 -4.86769907 -0.29732923 -2.29206651 -1.12139281 -0.11175532 -0.6146514 -1.16200649 0.13975414 0.22852084 1.204E-9 2.693E-9 6.0219999999E-9 1.347E-8 3.011E-8 6.733E-8 1.5049999999E-7 3.366E-7 7.527E-7 0.000001683 0.0000037639999999 0.000008416 0.00001882 0.00004208 0.00009409 68-11-1 1133 144208915 A A Thioglycolic acid O=C(O)CS Tox21_201717 -NCGC00259164-01 196709386 tox21-ror-cho-viability-p1 set2 4 -0.35804742 -0.63390343 0.03497437 -2.76648742 -0.20958166 1.58489756 -0.35623812 2.8326075 -0.67769922 2.33706636 2.05297314 3.96093405 3.06429413 2.6310826 3.03735337 1.1779999999E-9 2.633E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.00000368 0.00000823 0.000018399999999 0.00004115 0.00009201 8007-70-3 144208813 Anise oil Tox21_201615 -NCGC00259333-01 196709394 tox21-ror-cho-viability-p1 set2 4 -1.69965127 -2.12757782 -0.42689134 0.82083905 0.08815857 -0.13026182 -1.2156498 -0.29496723 -0.85174465 -1.22855136 -1.39742541 -0.66614785 -0.27435357 -5.78158517 -7.51928134 1.166E-9 2.6069999999E-9 5.83E-9 1.304E-8 2.9149999999E-8 6.518E-8 1.457E-7 3.259E-7 7.287E-7 0.0000016299999999 0.0000036439999999 0.0000081479999999 0.00001822 0.00004074 0.00009109 121-14-2 8461 144208982 A A 2,4-Dinitrotoluene Cc1ccc(cc1[N+](=O)[O-])[N+]([O-])=O Tox21_201784 -NCGC00258849-01 196709404 tox21-ror-cho-viability-p1 set2 -2.4 68.0319836447 -30.272388216 -3 -33.272388216 4.9549173134 0.839189697 0.0030975026 2.58310769 -1.15441018 -2.40069065 -7.8719055 -3.53248599 2.01517851 -6.40331484 -4.88274448 -1.30974746 -5.23796668 -3.70908082 -3.39638213 -2.7374907 -4.02114055 -27.72699018 1.172E-9 2.6199999999E-9 5.859E-9 1.31E-8 2.929E-8 6.55E-8 1.465E-7 3.275E-7 7.324E-7 0.0000016379999999 0.000003662 0.000008188 0.00001831 0.00004094 0.00009154 599-64-4 11742 144208495 A A 4-Cumylphenol CC(C)(c1ccc(O)cc1)c2ccccc2 Tox21_201297 -NCGC00255467-01 196709806 tox21-ror-cho-viability-p1 set2 -1.1 17.2289340586 -67.160692467 -2.477893037 -69.638585504 1.9673362061 0.9757868604 1.428E-7 -4.72193283 -11.12293749 -0.46461516 -0.08142397 -1.08068158 -0.69611483 -3.41626317 -1.41812121 0.91344245 -0.65354344 -10.52899577 -11.02149451 -40.58706396 -57.03188689 -68.86548792 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 31519-22-9 671 144211972 B Fc 1,4-Dihydroxy-2-naphthoic acid O=C(O)c2cc(O)c1ccccc1c2O Tox21_301655 -NCGC00255934-01 196709808 tox21-ror-cho-viability-p1 set2 4 61.130564862 13.8347530439 -1.3347530439 12.5 3.2974983358 0.730731901 0.0263205632 1.09409256 -2.44363084 -4.02896087 -2.65194566 -2.32663932 -2.40710982 -0.5360484 1.01276225 -0.68203508 -3.27768823 1.09219918 0.90350924 -0.0911206 1.70971788 9.51930863 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2591-86-8 17429 144212424 A A N-Formylpiperidine O=CN1CCCCC1 Tox21_302107 -NCGC00255807-01 196709818 tox21-ror-cho-viability-p1 set2 4 -2.82815506 -3.6341113 -0.09026145 -4.49018408 1.39327927 2.55554413 -6.45278755 -14.44468555 1.14257748 -7.23775829 3.55019437 -6.29274314 -7.45190102 -0.30272458 1.75642007 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 132739-31-2 164333 144211662 Z F Di(propylene glycol) tert-butyl ether OCCCOC(C)COC(C)(C)C Tox21_301345 -NCGC00256001-01 196710218 tox21-ror-cho-viability-p1 set2 4 0.68730088 0.77949732 5.56882455 2.51828355 -0.81819819 2.28288429 0.24629339 -0.4647835 0.19563597 0.21193596 -0.75358702 2.97334454 0.38516491 3.93149967 -0.28356768 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 499-75-2 10364 144211695 A A Isopropyl-o-cresol Cc1ccc(cc1O)C(C)C Tox21_301378 -NCGC00256100-01 196710235 tox21-ror-cho-viability-p1 set2 4 -3.73150901 -0.84160484 -1.21330934 1.23024104 -4.2423819 0.22041999 -1.71773738 -8.19910435 -1.07775535 -1.50100464 0.59544933 -1.62826483 -4.63916102 -5.30259862 -1.41951385 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2358-84-1 16891 144212051 A A Di(ethylene glycol) dimethacrylate O=C(OCCOCCOC(=O)C(=C)C)C(=C)C Tox21_301734 -NCGC00255356-01 196710238 tox21-ror-cho-viability-p1 set2 4 4.37350014 -0.47926327 -1.31222965 -1.86054797 -0.62531068 0.10415492 0.2477692 0.89149272 -1.79572397 1.19559019 1.14081591 1.63520228 1.55344512 1.95752209 6.31480445 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 28772-56-7 54680085 144212237 A Bromadiolone Brc1ccc(cc1)c2ccc(cc2)C(O)CC(C3=C(O)c4ccccc4OC3=O)c5ccccc5 Tox21_301920 -NCGC00256082-01 196729120 tox21-ror-cho-viability-p1 set3 4 -26.13294496 -4.23319722 -2.42748873 -0.65897176 1.47064849 3.61568106 3.24005494 3.97961174 0.67396134 3.79813763 1.18563592 -0.61352423 0.87577868 -0.73125213 -2.37388261 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52196-74-4 40273 144211801 A A 2-Chloro-1,4-diethoxybenzene Clc1cc(ccc1OCC)OCC Tox21_301484 -NCGC00255542-01 196728682 tox21-ror-cho-viability-p1 set3 4 3.08103846 -1.64637221 7.27346311 -1.61231667 -1.03482973 1.0218679 2.7793575 2.40995211 6.22359486 2.11021848 -0.6818999 -0.94505194 2.37104326 0.68615217 1.50831269 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1617-90-9 15376 144212285 A A Vincamine O=C(OC)[C@@]5(O)C[C@@]4(CCCN3CCc2c1ccccc1n5c2[C@@H]34)CC Tox21_301968 -NCGC00255696-01 196728679 tox21-ror-cho-viability-p1 set3 -2.1 43.2771256911 -125.7436461839 3.1811616049 -122.562484579 3.0654483358 0.9571307488 0.0000035978 1.55962271 2.57765123 2.98959875 -7.62058816 6.34354358 -3.80608296 12.80900224 -5.83916431 2.02662753 3.59213418 0.6426407 15.00975671 5.81751875 -54.70268067 -112.23670749 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68959-20-6 62253 144212696 A Ac Disiquonium chloride [Cl-].CO[Si](CCC[N+](C)(CCCCCCCCCC)CCCCCCCCCC)(OC)OC Tox21_302379 -NCGC00094532-06 196729101 tox21-ror-cho-viability-p1 set3 4 -0.78106663 -0.71830696 -2.72029233 0.12344942 1.77597663 0.17013945 0.5454946 0.24432542 -1.16381555 -5.03218353 -4.68926628 -6.75064707 -0.8336458 -4.15633833 -3.89307003 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00257994-01 196729520 tox21-ror-cho-viability-p1 set3 4 -1.84996298 2.3432138 1.74455524 0.88079079 0.17220686 2.24557776 1.93196793 1.83116392 1.74897052 1.40229829 -0.97087544 1.11811246 2.91744942 0.0218274 1.31723136 1.21E-9 2.7049999999E-9 6.048E-9 1.352E-8 3.024E-8 6.7619999999E-8 1.512E-7 3.381E-7 7.561E-7 0.000001691 0.00000378 0.0000084529999999 0.0000189 0.00004226 0.00009451 121-45-9 8472 144207638 FNS Trimethyl phosphite COP(OC)OC Tox21_200440 -NCGC00258734-01 196729527 tox21-ror-cho-viability-p1 set3 -2.1 60.8819825247 -74.600461631 -0.490673507 -75.091135138 3.9899729863 0.9907662719 5E-10 1.95890542 0.82786186 0.41277843 0.77198545 0.74955472 -0.32754913 0.13283567 -3.6694908 0.44777476 0.40687062 -0.12515752 -2.7338559 -3.325762 -12.5725427 -62.94782965 1.1759999999E-9 2.631E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.576E-8 1.471E-7 3.288E-7 7.3529999999E-7 0.0000016439999999 0.000003676 0.00000822 0.000018379999999 0.0000411 0.000091909999999 79-94-7 6618 144208380 A A 3,3',5,5'-Tetrabromobisphenol A Brc1cc(cc(Br)c1O)C(C)(C)c2cc(Br)c(O)c(Br)c2 Tox21_201182 -NCGC00257987-01 196729528 tox21-ror-cho-viability-p1 set3 4 1.12045921 1.57187257 1.08130702 0.79333914 -0.32160578 0.18525354 0.77851954 2.73496259 4.7325479 -0.51233837 0.61028515 1.52720626 -1.98677124 0.4360008 -2.34751915 1.188E-9 2.657E-9 5.942E-9 1.3289999999E-8 2.971E-8 6.6439999999E-8 1.486E-7 3.3219999999E-7 7.428E-7 0.0000016609999999 0.000003714 0.000008305 0.00001857 0.00004152 0.00009285 105-08-8 7735 144207631 A A 1,4-Cyclohexanedimethanol OCC1CCC(CO)CC1 Tox21_200433 -NCGC00258757-01 196729929 tox21-ror-cho-viability-p1 set3 4 -0.19803798 0.85953348 0.53895538 1.09487527 2.74775805 0.54357174 1.31676131 1.946793 -0.47804912 -1.31541554 1.64594215 -1.4093551 2.83086156 2.44068868 1.12791305 1.188E-9 2.657E-9 5.941E-9 1.3279999999E-8 2.9699999999E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016609999999 0.000003713 0.000008303 0.00001856 0.000041509999999 0.00009282 25134-21-8 6602188 144208403 FC Methylnadic anhydride O=C2OC(=O)[C@]3(C)[C@@H]1C=C[C@@H](C1)[C@H]23 Tox21_201205 -NCGC00257745-01 196730363 tox21-ror-cho-viability-p1 set3 -2.2 26.6409312014 -53.4155414369 1.0208713139 -52.394670123 2.3531167061 0.9866726935 4.5E-9 1.13790718 1.22427902 0.36187468 0.30852986 1.28276118 -1.80526142 0.05286699 1.81815521 1.46129844 -0.62512401 3.42396321 0.17642848 -18.2233992 -35.97801886 -51.36732365 1.156E-9 2.585E-9 5.781E-9 1.293E-8 2.8899999999E-8 6.463E-8 1.4449999999E-7 3.231E-7 7.226E-7 0.000001616 0.000003613 0.000008079 0.000018059999999 0.00004039 0.000090319999999 99-98-9 7472 144207389 B N,N-Dimethyl-p-phenylenediamine Nc1ccc(cc1)N(C)C Tox21_200191 -NCGC00258229-01 196730364 tox21-ror-cho-viability-p1 set3 4 16.9664550364 -22.307497924 -3 -25.307497924 1.6266150999 0.603738169 0.094099349 2.32753763 -8.60270015 -1.98607643 -1.03055924 -3.09249889 -1.09643328 -20.30089541 -0.0394825 -0.47209334 0 -3.36383738 -3.67371803 -20.87537994 -18.66925888 -24.00624827 1.165E-9 2.6039999999E-9 5.8229999999E-9 1.302E-8 2.911E-8 6.51E-8 1.456E-7 3.255E-7 7.2779999999E-7 0.0000016269999999 0.000003639 0.000008137 0.0000182 0.00004069 0.00009098 95-77-2 7258 144207873 A A 3,4-Dichlorophenol Oc1cc(Cl)c(Cl)cc1 Tox21_200675 -NCGC00258550-01 196730365 tox21-ror-cho-viability-p1 set3 4 1.97496538 2.42555353 3.64175268 6.04737122 7.17224707 5.61405048 3.41107444 1.63955055 3.34895777 5.91867337 3.30706441 2.50134325 1.34415813 1.20769453 0.06193361 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.468E-7 3.284E-7 7.3419999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.000018359999999 0.00004104 0.000091779999999 621-33-0 12120 144208195 A A 3-Ethoxyaniline CCOc1cccc(N)c1 Tox21_200997 -NCGC00160361-02 196722531 tox21-ror-cho-viability-p1 set3 4 0.2113168243 6.8792296679 -2.8792296679 4 4.9549173134 0.3572519857 0.3132152626 -7.05187555 0.12548652 3.30969419 2.13319413 -14.48269139 0 -4.8084478 -2.62240395 6.66248903 5.58496616 4.48315363 0.14787087 -1.01422528 3.48200843 7.85124142 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17692-71-6 5399858 170466161 A Vanitiolide S=C(c1ccc(O)c(OC)c1)N2CCOCC2 Tox21_111762_1 -NCGC00241108-04 196722517 tox21-ror-cho-viability-p1 set3 4 0.19922969 -1.0158633 -0.88673969 1.35950617 0.45812133 -0.08374646 0.70857525 0.44817536 -1.62282202 -7.98963444 -2.24743776 -3.46586811 -4.5472694 -2.40219569 -2.59336987 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 319460-85-0 6450551 170466656 I Axitinib CNC(=O)c4ccccc4Sc1ccc3c(c1)nnc3/C=C/c2ccccn2 Tox21_113597_1 -NCGC00254169-01 196720035 tox21-ror-cho-viability-p1 set3 4 13.06935935 -3.49133035 -1.5122139 6.91523501 2.88480872 0.23203986 0.31975381 4.34141893 4.13523598 5.85979259 16.49213159 0.27204166 0.67485486 -1.26174961 -4.33539779 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 8018-01-7 3034368 144210633 F Mancozeb [Mn+2].[Zn+2].[S-]C(=S)NCCNC(=S)[S-].[S-]C(=S)NCCNC([S-])=S Tox21_300314 -NCGC00253971-01 196719620 tox21-ror-cho-viability-p1 set3 -2.1 68.5896218971 -73.6284074598 -5.016490671 -78.6448981308 4.4494702849 0.9090998719 0.0001989367 -10.38413503 -16.22816697 -4.84355604 -7.10507787 -8.72023198 -7.62318061 -1.93041506 -1.84718455 -1.63541285 -2.39037011 -3.92623229 2.17634752 1.40957211 -11.90242386 -62.98855919 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 725228-45-5 9801235 144210569 A A AVE5638 O=C(c2ccc(C#Cc1ccccc1F)o2)N3CCC(CC3)c4cccc(CN)c4 Tox21_300249 -NCGC00254203-01 196719623 tox21-ror-cho-viability-p1 set3 4 3.65135778 5.45462204 7.68801335 9.53853794 0.21013832 9.88163541 5.11717015 2.82555456 10.0621718 1.28359842 4.44732528 1.01376285 0.28977021 4.36097639 4.76709256 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-30-3 6037 144210447 A A Folic acid O=C(O)[C@H](CCC(=O)O)NC(=O)c1ccc(cc1)NCc2cnc3NC(N)=NC(=O)c3n2 Tox21_300127 -NCGC00254428-01 196720027 tox21-ror-cho-viability-p1 set3 4 0.90300004 3.59139295 3.22842824 -8.58616772 5.62754151 -0.82852053 -0.79703376 0.75686384 0.25600605 -0.78317417 -2.94889099 0.46797755 -3.29958409 -4.11064165 -0.70220794 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25265-71-8 6537503 144210882 D Dipropylene glycol CCC(O)OC(O)CC Tox21_300565 -NCGC00091044-02 196720037 tox21-ror-cho-viability-p1 set3 4 0.0029179369 16.968336244 -18.968336244 -2 0.7999999999 0.5648141112 0.1242160992 -13.10415516 -15.80694687 -5.24075085 0.69251135 -7.31970206 -5.84308598 -4.6648741 -3.91465276 -1.83614658 -5.06346273 -3.06161188 -1.85692435 0.9052794 -1.94570866 -5.05486635 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00090789-02 196720437 tox21-ror-cho-viability-p1 set3 4 -1.91728597 1.56146691 7.78792637 4.31315315 0.48724224 -0.54932813 2.00437064 -7.67482659 9.40332268 -1.09221756 0.16005012 -0.92170256 4.97158707 0.69271293 3.14452953 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00090760-08 196720443 tox21-ror-cho-viability-p1 set3 -3 76.4894813809 -37.716497664 -0.5 -38.216497664 4.9549173134 0.7466312204 0.0204970401 1.16167579 1.84292398 0.58652275 3.66755773 -9.39288513 -10.55488663 -1.65954284 -1.40163185 -0.73466681 4.68644391 0.04444554 2.95924997 -1.16548683 1.65643299 -30.18041472 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00254674-01 196720458 tox21-ror-cho-viability-p1 set3 4 3.41001055 -1.02214516 -10.83870742 1.4542398 -2.25665206 3.01983823 2.47065226 -1.25617429 2.17831687 1.77902198 6.38887293 -0.16177332 1.24046213 8.24582398 2.06031255 1.239E-9 2.771E-9 6.196E-9 1.386E-8 3.098E-8 6.928E-8 1.549E-7 3.464E-7 7.746E-7 0.0000017319999999 0.000003873 0.00000866 0.000019359999999 0.000043299999999 0.000096819999999 111-94-4 8149 144211087 BC A 3,3'-Iminobispropanenitrile N#CCCNCCC#N Tox21_300770 -NCGC00090776-02 196720852 tox21-ror-cho-viability-p1 set3 4 0.0169489804 19.670565216 -18.670565216 1 0.4 0.7906037493 0.0096853323 -12.42606055 -16.39213768 -9.54775715 -3.52894634 -10.32657574 -9.41335616 -3.1600756 -5.40432644 -0.56083645 -1.72017308 -0.63945914 0.41443189 -2.22343467 0.33698583 0.96204864 1.164E-9 2.6039999999E-9 5.822E-9 1.302E-8 2.911E-8 6.509E-8 1.4549999999E-7 3.255E-7 7.2769999999E-7 0.0000016269999999 0.000003639 0.000008136 0.00001819 0.00004068 0.000090969999999 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00254403-01 196720855 tox21-ror-cho-viability-p1 set3 4 1.09298568 -4.95562923 3.23138359 13.41965585 13.94358879 6.33474928 -10.7510719 -1.35305055 0.90990941 -0.26021484 7.09704698 -0.46885415 1.7369304 1.14390905 1.00330192 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 77-71-4 6491 144210679 A A 5,5-Dimethylhydantoin O=C1NC(=O)C(C)(C)N1 Tox21_300361 -NCGC00254990-01 196720860 tox21-ror-cho-viability-p1 set3 -2.4 7.6958821542 -46.368566404 7.5 -38.868566404 0.3 0.9007280721 0.0003108467 2.63934938 0.09274644 4.92555829 4.50305782 -0.84063792 1.67266822 -0.03113777 -10.52176023 -9.43098377 -13.74231444 -9.95272726 -13.02904681 -18.58178683 -18.55222171 -29.05713867 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96489-71-3 91754 144211407 A A Pyridaben CC(C)(C)N2N=CC(SCc1ccc(cc1)C(C)(C)C)=C(Cl)C2=O Tox21_301090 -NCGC00163818-04 196716284 tox21-ror-cho-viability-p1 set2 -2.2 36.6609083917 -42.0037043631 -2.366419628 -44.3701239911 0.9999999999 0.9657276303 0.0000010335 -1.42886718 -0.30534969 -1.05641531 -3.27214556 -3.26795377 -0.48566515 -2.98879461 -0.57152898 -7.50337181 -5.84704488 -7.67764653 -10.84682243 -15.69500499 -24.01595814 -35.21438412 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00260403-01 196711534 tox21-ror-cho-viability-p1 set2 4 78.1342569491 -18.05528652 -2 -20.05528652 4.4494702849 0.6050096231 0.0941026923 -1.54102831 -1.46374951 -1.93037202 -0.6035976 1.61423608 -6.2102789 -1.98388557 -9.43397285 -2.9431904 -0.84948801 -1.81429127 -0.21298195 -3.48201981 -2.42311946 -15.0460721 1.195E-9 2.672E-9 5.975E-9 1.336E-8 2.988E-8 6.6809999999E-8 1.494E-7 3.34E-7 7.469E-7 0.0000016699999999 0.000003735 0.000008351 0.00001867 0.00004175 0.00009336 620-14-4 12100 144210055 F Fns 3-Ethyltoluene Cc1cccc(CC)c1 Tox21_202857 -NCGC00091483-03 196711098 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -13.574090068 1.5 -12.074090068 4.5044702849 0.7075227917 0.0354931184 3.3220561 6.33853165 1.3104227 0.78514284 2.0614696 3.29328119 0.42219733 -0.79923816 1.01653429 1.80826205 -0.50583 1.65082865 -0.39031922 0.52703798 -9.22840839 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00257533-01 196711102 tox21-ror-cho-viability-p1 set2 4 0.24332956 0.63674473 -6.45448501 0.98793212 -2.64879934 -2.38612619 2.08350548 -1.96850658 -7.30941214 1.59694967 -1.3539629 -4.17285689 -4.81407757 -1.6558363 -0.59618101 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-14-1 757 144211615 A A Glycolic acid O=C(O)CO Tox21_301298 -NCGC00255658-01 196711105 tox21-ror-cho-viability-p1 set2 4 8.43448745 8.36131916 5.19581779 5.89197385 5.79528324 8.3189246 5.67958386 0.58413626 -1.01121935 6.64402293 0.07593724 7.10516542 7.242252 6.54861816 11.92406131 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-41-5 62334 144211721 A 2-tert-Butylcyclohexyl acetate O=C(C)OC1CCCCC1C(C)(C)C Tox21_301404 -NCGC00260322-01 196711935 tox21-ror-cho-viability-p1 set2 4 7.9517886525 -29.455357116 -2.5 -31.955357116 0.7999999999 0.4229117476 0.2501118175 -0.87393332 -0.04483517 0.19766199 -4.04654131 -0.20752563 -3.23601201 -3.68953138 -5.83019212 -5.82492632 -6.65866792 -0.2283692 -10.96180825 -4.16184763 0.25828598 -23.29613093 6.819E-11 1.525E-10 3.409E-10 7.624E-10 1.7049999999E-9 3.812E-9 8.524E-9 1.906E-8 4.2619999999E-8 9.5299999999E-8 2.131E-7 4.7649999999E-7 0.000001065 0.000002382 0.000005327 590-29-4 2735122 144209973 Formic acid, potassium salt [K+].[O-]C=O Tox21_202775 -NCGC00357123-01 196711953 tox21-ror-cho-viability-p1 set2 4 1.19676466 0.26772951 1.56032291 1.31070685 1.3653424 1.63573305 2.15878175 -6.44466637 3.75285073 -0.86445815 1.46592356 -3.9380884 0.03670385 -0.71828111 8.39131148 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 59572-10-0 101082 251919758 A 1,3,6,8-Pyrenetetrasulfonic acid, tetrasodium salt [Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c4cc(c1ccc2c(cc(c3ccc4c1c23)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O Tox21_303858 -NCGC00356939-01 196711956 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -13.860474292 0.5 -13.360474292 4.9549173134 0.7862704213 0.0107127038 0.47713606 -0.34195759 -1.84498456 0.51592972 -0.12144413 -0.1458851 -0.25195478 1.83008172 -0.54669637 1.75497802 -0.04565818 3.31347576 3.82848321 0.53117652 -10.71706191 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1879-09-0 15884 251919763 A 6-tert-Butyl-2,4-dimethylphenol CC(C)(C)c1cc(C)cc(C)c1O Tox21_303705 -NCGC00357126-01 196712352 tox21-ror-cho-viability-p1 set2 4 0.685896219 -12.2063910279 0 -12.2063910279 4.9549173134 0.4398978271 0.2334197449 1.96078274 0.9384059 0.83303747 -0.99209946 -0.01448935 -5.74138566 3.2291393 1.00958259 -6.39267773 -19.85010103 -0.4327083 -12.91121828 -26.83865919 1.76397718 -15.31130812 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6283-25-6 22691 251919743 A 2-Chloro-5-nitroaniline Nc1cc(ccc1Cl)[N+]([O-])=O Tox21_303861 -NCGC00257696-01 196712370 tox21-ror-cho-viability-p1 set2 4 76.4894813809 -25.378332792 1 -24.378332792 4.9549173134 0.773192882 0.0133726291 -1.26134936 -0.46123452 -2.17661719 -0.34948002 1.22671687 0 1.02800515 -0.5956043 1.1319467 2.56156457 0.98659501 6.89792448 1.48387458 6.26230896 -18.64861066 1.1739999999E-9 2.625E-9 5.871E-9 1.3129999999E-8 2.9349999999E-8 6.564E-8 1.468E-7 3.282E-7 7.338E-7 0.000001641 0.000003669 0.000008204 0.00001835 0.00004102 0.00009173 85-44-9 6811 144207340 A A Phthalic anhydride O=C1OC(=O)c2ccccc12 Tox21_200142 -NCGC00095161-05 196713179 tox21-ror-cho-viability-p1 set2 4 -6.55058073 -4.74410124 -1.82624773 -6.35695085 -5.21017351 0.45289834 -3.09702513 0.04970102 -2.3316667 -1.22946574 -1.48579132 -0.64270319 2.73607857 0.82685567 3.33647146 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 90098-04-7 5042 170465891 A Rebamipide Clc1ccc(cc1)C(=O)NC(CC3=CC(=O)Nc2ccccc23)C(=O)O Tox21_111460_1 -NCGC00165993-02 196713182 tox21-ror-cho-viability-p1 set2 4 -1.8467621 1.62151614 -2.33986948 1.0990743 -0.34668973 0.00279316 1.55958949 0.35538495 -1.30360296 -3.89496671 -1.476717 -5.93612116 0.41360032 -1.88956732 -6.38686181 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98-98-6 1018 170466822 Z Picolinic acid O=C(O)c1ccccn1 Tox21_112282_1 -NCGC00015806-06 196713191 tox21-ror-cho-viability-p1 set2 4 4.2623829 1.30749396 2.93481986 -0.5425516 1.2765989 0.49549896 0.72262777 2.95518683 0.46447454 2.39386307 2.03365765 0.11799807 2.92887039 3.66824515 1.80672401 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53179-13-8 40632 170465606 A Pirfenidone CC2=CN(c1ccccc1)C(=O)C=C2 Tox21_110225_1 -NCGC00259745-01 196709059 tox21-ror-cho-viability-p1 set2 4 2.29504272 0.88522901 -0.21542319 -2.95073514 -0.07240615 -2.80197371 2.24731216 -4.64433156 -3.78963915 0.6317904 -2.91910878 -1.51048104 -3.88288929 -3.41360272 -1.25777238 1.191E-9 2.664E-9 5.9569999999E-9 1.332E-8 2.979E-8 6.66E-8 1.489E-7 3.33E-7 7.446E-7 0.000001665 0.0000037229999999 0.0000083249999999 0.00001862 0.00004163 0.00009308 612-82-8 108938 144209394 A A 3,3'-Dimethylbenzidine dihydrochloride Cl.Cl.Cc1cc(ccc1N)c2ccc(N)c(C)c2 Tox21_202196 -NCGC00255265-01 196710647 tox21-ror-cho-viability-p1 set2 4 -0.04198128 2.38538713 0.5560575 1.73053388 2.55262912 0.97106928 1.2553649 1.39619098 1.7384097 0.55358632 -0.9523951 1.94395408 1.8702359 2.29664622 1.01322368 8.0809999999E-10 1.8069999999E-9 4.041E-9 9.035E-9 2.02E-8 4.517E-8 1.01E-7 2.2589999999E-7 5.0509999999E-7 0.000001129 0.000002525 0.000005647 0.00001263 0.00002823 0.00006313 71-63-6 441207 144212586 A Digitoxin O=C1C=C(CO1)[C@H]8CC[C@@]7(O)[C@]8(C)CC[C@H]3[C@H]7CC[C@@H]2C[C@H](CC[C@@]23C)O[C@@H]6O[C@H](C)[C@@H](O[C@H]5C[C@H](O)[C@H](O[C@H]4C[C@H](O)[C@H](O)[C@@H](C)O4)[C@@H](C)O5)[C@@H](O)C6 Tox21_302269 -NCGC00255216-01 196711047 tox21-ror-cho-viability-p1 set2 4 -6.48748064 -4.72593209 -1.19778105 -2.68477506 -2.61469535 1.6201652 -1.15826045 0.03086111 0.96901544 -1.62003952 -0.74042996 -0.56161214 0.26424692 -1.11966637 2.74666329 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95266-40-3 92421 144212223 A A Trinexapac-ethyl O=C(OCC)C1CC(=O)/C(C(=O)C1)=C(/O)C2CC2 Tox21_301906 -NCGC00255278-01 196711071 tox21-ror-cho-viability-p1 set2 4 4.46307303 2.35365361 2.34214796 2.55450938 3.94295846 -0.25061655 0.56126175 0.88556095 -0.32726968 1.73857721 -1.35205675 -0.59517927 -1.70166124 -0.15727248 2.22265996 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76-39-1 6442 144212228 A A 2-Methyl-2-nitro-1-propanol [O-][N+](=O)C(C)(C)CO Tox21_301911 -NCGC00091586-02 196711473 tox21-ror-cho-viability-p1 set2 4 51.5595002592 16.8581090439 -0.3581090439 16.5 3.9294729863 0.8662463591 0.0013450994 0.33759419 0.37286024 2.43332875 0.51982214 -3.21509087 -0.38277481 0.76953221 -2.17131861 0.0459249 -0.35285679 1.22332549 -3.10599064 -0.05039446 3.91729256 14.44572036 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00260622-01 196711478 tox21-ror-cho-viability-p1 set2 4 -2.77802797 -4.21907038 -4.31375297 -7.21572983 -2.42259911 -20.02622282 -3.29983709 -8.14669992 -5.58834605 -0.24994448 -3.65483733 -4.38878297 -20.39871628 -4.65697967 -25.16033704 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49518 144210275 M M NTP Mix99 ER1 10-EQC Tox21_203077 -NCGC00260252-01 196711481 tox21-ror-cho-viability-p1 set2 2.4 60.9441122888 31.1691714119 -0.1691714119 31 4.9549173134 0.8159969138 0.0055910795 1.0284875 -0.04433872 2.58241711 -2.010135 0.35825484 1.17346301 -0.68193613 1.0017097 5.18235621 4.08201622 -0.38072088 -5.13925427 -8.47430951 4.22321362 27.29800125 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.5809999999E-8 1.472E-7 3.291E-7 7.358E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.00004113 0.00009198 117947-85-0 18374068 144209902 FC 1-Ethyl-1-methylpyrrolidinium tetrafluoroborate F[B-](F)(F)F.C[N+]1(CC)CCCC1 Tox21_202704 -NCGC00260088-01 196711483 tox21-ror-cho-viability-p1 set2 4 67.6838457892 17.1134566199 -1.1134566199 16 4.9549173134 0.8386345494 0.0031891541 -0.92315123 -2.1435557 -3.01121385 -2.66719025 1.55632763 -2.29970827 -2.24389847 1.36011745 -1.2393073 -1.23469789 -1.90869994 -0.86376352 2.24358205 -0.67641076 13.07024809 1.167E-9 2.61E-9 5.836E-9 1.305E-8 2.918E-8 6.524E-8 1.459E-7 3.262E-7 7.294E-7 0.000001631 0.0000036469999999 0.0000081549999999 0.000018239999999 0.00004078 0.00009118 8046-19-3 144209737 F Styrax balsam Tox21_202539 -NCGC00260413-01 196711486 tox21-ror-cho-viability-p1 set2 -1.2 15.3865400603 -33.0933572973 1.397352315 -31.6960049823 3.1319983358 0.9191211936 0.0001093898 5.65980557 -2.73036964 -2.73751914 2.21265205 -2.14162602 4.77525569 -2.41624389 5.30266272 -1.08831591 0.38545411 2.03423394 2.06582313 -21.5386172 -25.81776452 -35.36667128 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.61E-8 1.4779999999E-7 3.305E-7 7.3909999999E-7 0.0000016529999999 0.0000036949999999 0.000008263 0.00001848 0.00004131 0.000092379999999 73367-80-3 175468 144210065 D A 12-BromododecanoicAcid O=C(O)CCCCCCCCCCCBr Tox21_202867 -NCGC00357112-01 196711881 tox21-ror-cho-viability-p1 set2 4 0.34944716 0.90049698 0.42347713 -0.5408286 0.00069601 -3.27742531 -7.47592818 -0.34024718 -17.91520545 0.59917681 -7.05813459 -11.89900948 0 -0.15614451 -0.08142478 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5655-61-8 93009 251919910 Ac (-)Bronyl acetate CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C Tox21_303841 -NCGC00163919-02 196707348 tox21-ror-cho-viability-p1 set1 4 -1.59851748 2.44547132 -1.37798794 1.97670045 -1.36692958 2.17412845 -2.16598746 -3.5355708 2.59883524 -3.02857341 3.2799356 -4.86542475 2.10975413 -1.23823427 -1.78508904 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00257114-01 196707331 tox21-ror-cho-viability-p1 set1 4 6.69807824 3.81812291 5.5613817 3.32331686 3.61209607 0.23406628 3.90365988 9.33729271 5.02098161 6.71669366 5.98983631 10.04095583 4.56804933 0.79619579 13.66310524 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-56-6 7394 144213578 Fns 1-Chloro-4-(trifluoromethyl)benzene FC(F)(F)c1ccc(Cl)cc1 Tox21_303261 -NCGC00256998-01 196707339 tox21-ror-cho-viability-p1 set1 4 -7.13294263 -10.81137927 -14.23599588 -17.1878314 -14.19016186 -18.78718906 -11.81358287 -6.65678064 -16.88234169 -13.62896986 -13.34867782 -10.23653669 -13.5807388 -10.22384175 -9.23767484 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 484-20-8 2355 144213572 A A 5-Methoxypsoralen COc1c3ccoc3cc2OC(=O)C=Cc12 Tox21_303255 -NCGC00260326-01 196724188 tox21-ror-cho-viability-p1 set3 -1.3 0.745071505 -66.8455256236 1.6045794249 -65.2409461987 1.8851180601 0.9566436252 0.1698504561 -7.75155571 3.43235314 -0.02937404 2.56806743 0.57305833 2.49251832 4.00600733 -2.37057424 2.16522711 -6.67002513 -49.90757978 -49.12769694 -60.42456752 2.69318513 -69.94819842 2.998E-10 6.704E-10 1.4989999999E-9 3.3519999999E-9 7.496E-9 1.676E-8 3.7479999999E-8 8.38E-8 1.874E-7 4.19E-7 9.37E-7 0.000002095 0.0000046849999999 0.00001048 0.00002342 137-29-1 472181 144209978 Fc Copper dimethyldithiocarbamate [Cu+2].S=C([S-])N(C)C.CN(C)C([S-])=S Tox21_202780 -NCGC00357245-01 196723772 tox21-ror-cho-viability-p1 set3 4 0.0038570779 11.208661308 -9.708661308 1.5 0.9099999999 0.7291752628 0.0269581197 -8.09055109 -3.1108144 -3.6738872 -1.53209377 0.5163148 1.14122374 -1.02106579 1.83005024 -0.18943935 0.54674716 3.61859615 3.53608672 -0.77229474 -0.62616013 3.45706168 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-74-7 7952 251919848 A Hexahydro-1,3,5-trimethyl-1,3,5-triazine CN1CN(C)CN(C)C1 Tox21_304038 -NCGC00260138-01 196723781 tox21-ror-cho-viability-p1 set3 4 -6.15211009 0.36039159 -3.13269017 -4.40611572 5.60638943 1.98556084 -2.12450902 3.25663126 5.85218473 -5.31676426 -0.5077608 -4.20142341 5.86410978 -4.03059345 7.52920987 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 1121-92-2 14276 144209788 F F Heptamethyleneimine C1CCCCCCN1 Tox21_202590 -NCGC00260379-01 196724179 tox21-ror-cho-viability-p1 set3 4 0.0015636811 13.33507772 -12.83507772 0.5 4.9549173134 0.5360017352 0.1484003445 -10.6958981 4.03164458 -1.77863447 -3.27001683 2.33921994 -4.39826369 -0.39048086 0.25306468 4.61375557 3.54963816 0.4667923 1.62924587 -0.5071221 0.04406491 1.64883846 1.198E-9 2.679E-9 5.991E-9 1.34E-8 2.995E-8 6.698E-8 1.4979999999E-7 3.3489999999E-7 7.4889999999E-7 0.000001675 0.000003744 0.000008373 0.000018719999999 0.000041859999999 0.000093609999999 4282-42-2 20275 144210031 F Bc Nonane,1-iodo- CCCCCCCCCI Tox21_202833 -NCGC00260623-01 196724189 tox21-ror-cho-viability-p1 set3 4 1.51453886 1.98541879 2.4290101 2.67259606 -3.47178225 2.43238503 -8.6919284 -3.31548803 -1.89491268 -3.02941412 -0.59289705 2.80508281 -0.43363743 2.21524847 -5.0884483 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49519 144210276 M M NTP Mix98 ER1 10-EQC Tox21_203078 -NCGC00259691-01 196721660 tox21-ror-cho-viability-p1 set3 4 -7.07067094 -3.85871948 2.27961041 0.2726219 -7.17756448 -8.25575596 -3.81369737 -4.54145554 -4.28685876 -6.95297722 -9.09369323 -11.15536227 -1.80792349 -2.70171866 -0.01197918 1.1469999999E-9 2.564E-9 5.734E-9 1.282E-8 2.867E-8 6.411E-8 1.434E-7 3.206E-7 7.168E-7 0.000001603 0.000003584 0.0000080139999999 0.00001792 0.00004007 0.0000896 106-49-0 7813 144209340 A A 4-Methylaniline Cc1ccc(N)cc1 Tox21_202142 -NCGC00259279-01 196721274 tox21-ror-cho-viability-p1 set3 4 46.3931645786 16.301889984 -4.301889984 12 2.4729283767 0.6143756674 0.0872872878 -2.93986711 -1.36613303 -2.05491763 2.49942052 -7.52148106 -7.99560724 -8.58490832 -2.78645036 -7.71731775 -2.43763036 -6.14609779 -3.4897201 -2.93063903 2.2837492 9.40745465 1.136E-9 2.539E-9 5.678E-9 1.27E-8 2.8389999999E-8 6.348E-8 1.4199999999E-7 3.174E-7 7.098E-7 0.0000015869999999 0.000003549 0.000007935 0.000017739999999 0.00003968 0.000088719999999 3724-65-0 19499 144208928 A A 2-Butenoic acid CC=CC(=O)O Tox21_201730 -NCGC00259649-01 196721658 tox21-ror-cho-viability-p1 set3 4 -4.99173388 -2.00849067 -5.69700612 -2.87199984 -6.70462008 -4.33860111 -6.57836677 -3.89025381 -4.56420594 -4.88596639 -6.54458102 -8.18862658 -4.59615331 -7.96741448 -11.00481989 1.203E-9 2.6889999999E-9 6.013E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.361E-7 7.516E-7 0.0000016809999999 0.000003758 0.000008403 0.000018789999999 0.00004202 0.00009395 13171-21-6 25750 144209298 C Phosphamidon COP(=O)(OC)OC(C)=C(Cl)C(=O)N(CC)CC Tox21_202100 -NCGC00259452-01 196721659 tox21-ror-cho-viability-p1 set3 4 -14.43911841 -13.26549707 -9.22037024 -0.50083505 -6.11588278 -9.27490835 -13.3242499 1.97357353 -5.04560079 1.61022116 -12.58980016 -5.46782136 -7.07984843 1.84968845 -7.69105727 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.311E-7 7.405E-7 0.000001656 0.000003702 0.000008279 0.00001851 0.00004139 0.00009256 142-90-5 8906 144209101 A Fc Dodecyl 2-methylacrylate C=C(C)C(=O)OCCCCCCCCCCCC Tox21_201903 -NCGC00258959-01 196721666 tox21-ror-cho-viability-p1 set3 4 32.3279519329 12.272068704 -4.272068704 8 4.9549173134 0.5916135922 0.1033677055 -6.43693145 -4.25834481 2.02729847 4.07258606 -5.54595762 -7.25271167 -4.33156894 -6.56091846 -7.72672392 -3.27668387 -5.19811227 -1.95412303 -6.36034679 5.97940137 8.97265223 1.234E-9 2.7599999999E-9 6.172E-9 1.38E-8 3.086E-8 6.901E-8 1.543E-7 3.45E-7 7.7149999999E-7 0.000001725 0.000003858 0.0000086259999999 0.00001929 0.00004313 0.000096439999999 106-43-4 7810 144208606 AC D 4-Chlorotoluene Cc1ccc(Cl)cc1 Tox21_201408 -NCGC00091011-05 196719630 tox21-ror-cho-viability-p1 set3 4 26.4781579 21.48016536 20.1533798 8.08987807 7.32906762 7.02088897 15.9789063 13.08828293 0.7534839 8.85728216 11.98621921 19.69670859 26.55894869 53.61687712 43.31414601 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00164449-04 196718789 tox21-ror-cho-viability-p1 set2 4 0.55827692 3.20130075 0.5855936 4.21556114 -0.61177019 9.24309759 4.4892697 9.09175583 5.55807212 1.02040217 8.40947297 1.74823467 3.46726463 3.45135422 1.66792744 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00257481-01 196719186 tox21-ror-cho-viability-p1 set2 4 0.00233363 1.06100506 -1.44960901 0.97252586 -2.21643041 -2.81883884 -0.23463847 -0.19441216 -2.59448927 0.88069803 -0.46554129 -2.74661106 -0.54279591 0.78011052 0.73700998 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-40-3 8182 144213920 F Fns Dodecane CCCCCCCCCCCC Tox21_303615 -NCGC00257515-01 196719197 tox21-ror-cho-viability-p1 set2 4 76.9588215421 12.120988104 -1.120988104 11 4.9549173134 0.8049044449 0.0074569249 -0.05115823 -0.86294796 -1.66663365 -0.71556216 -1.98695385 0.1544386 -2.33521086 -1.90304836 -1.37184804 1.46259699 -2.60082342 -1.6276007 -2.07295006 -2.1896169 7.95354145 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 50-21-5 612 144213921 Ac Ac Lactic acid O=C(O)C(C)O Tox21_303616 -NCGC00254409-01 196719640 tox21-ror-cho-viability-p1 set3 4 1.42287357 -4.94218506 1.85010972 -9.98620263 -6.60713885 -5.06350643 1.85810147 -5.05437511 -1.27015064 -5.26945589 -0.15816042 1.37537784 -10.09895661 -0.76026252 4.53736987 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 678-39-7 69619 144210715 1,1,2,2-Tetrahydroperfluoro-1-decanol FC(F)(C(F)(F)CCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300397 -NCGC00254116-01 196720045 tox21-ror-cho-viability-p1 set3 4 7.3122031 8.37183632 9.54520572 -2.61704628 4.67697356 12.56890156 3.02304647 8.6144989 -0.46832585 11.91283048 5.24194774 7.97286346 8.40052992 0.42078699 5.71688761 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 139-13-9 8758 144210476 A A Nitrilotriacetic acid OC(=O)CN(CC(=O)O)CC(=O)O Tox21_300156 -NCGC00254660-01 196720049 tox21-ror-cho-viability-p1 set3 4 27.3060203028 9.24047182 -3.74047182 5.5 2.7202212143 0.5667533213 0.1231045091 -3.51392785 -7.20820476 -5.98971788 -9.36705985 -1.64510075 -5.73897734 0.33059221 -2.85343028 -2.28243132 -0.33371914 -4.93364272 -2.36158421 -2.42568738 4.07915312 5.06401347 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 702-23-8 69705 144211072 A A 4-Methoxybenzeneethanol COc1ccc(CCO)cc1 Tox21_300755 -NCGC00256301-01 196710717 tox21-ror-cho-viability-p1 set2 4 1.5899652 -1.15903625 1.38360305 -1.55164871 -2.73913411 -0.6164514 -0.60615429 1.91871392 -1.28233662 0.22621614 1.48704188 1.35492993 1.68176297 2.37350529 1.93444476 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4273-98-7 77956 144211943 A A 2-(Phenylsulfonyl)aniline Nc1ccccc1S(=O)(=O)c2ccccc2 Tox21_301626 -NCGC00258496-01 196715274 tox21-ror-cho-viability-p1 set2 4 0.01335008 0.45238573 -5.23478616 -2.79462825 1.04187993 -3.80916925 -4.34446102 -0.40304321 -4.17502584 -4.67930366 -0.49910781 0.20866165 0.10592072 -3.28435818 -2.99123472 1.214E-9 2.7139999999E-9 6.07E-9 1.357E-8 3.035E-8 6.786E-8 1.517E-7 3.393E-7 7.587E-7 0.000001697 0.000003794 0.000008483 0.00001897 0.000042409999999 0.000094839999999 110-88-3 8081 144208140 A Ac 1,3,5-Trioxane C1OCOCO1 Tox21_200942 -NCGC00255652-01 196710709 tox21-ror-cho-viability-p1 set2 4 78.7623658459 -12.9022054559 -0.5 -13.4022054559 0.8999999999 0.498701714 0.1823000075 3.97288276 -0.39265486 -0.12978945 -1.72250412 -2.9320899 -0.74646522 0.17591461 1.56597184 -4.98286784 -1.68033149 -0.74820791 -3.16514017 -3.4487739 -2.23857889 -9.50183788 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 6152-33-6 517383 144211704 A A Sodium 2-phenylphenate tetrahydrate [Na+].O.O.O.O.[O-]c2ccccc2c1ccccc1 Tox21_301387 -NCGC00091086-02 196710711 tox21-ror-cho-viability-p1 set2 4 2.47572076 2.28556235 -0.87487589 -0.90686556 1.07929447 -1.30237215 0.5172763 0.46226784 2.2037229 0.45176319 1.74934529 2.28304749 -0.70819437 -0.7028809 2.0668605 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00255956-01 196710715 tox21-ror-cho-viability-p1 set2 4 4.24718553 -1.43046147 0.02459946 2.0157772 -2.64903302 -2.10853658 -3.40566021 0.13477616 -3.78528771 -1.22336689 0.40657977 -0.39371822 2.1507576 3.06568246 4.00098101 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-08-2 7275 144212531 Z A Limonene dioxide CC12CCC(CC2O1)C3OC3C Tox21_302214 -NCGC00091483-03 196710722 tox21-ror-cho-viability-p1 set2 4 -4.24828205 -3.36262534 -3.99029782 -2.19778735 -4.60971986 -1.41806128 -2.0291122 -2.21647424 0.79392247 -0.92107737 -1.60490786 0.72000987 0.35617391 0.67064692 -1.22492284 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00255534-01 196710727 tox21-ror-cho-viability-p1 set2 4 1.02188021 0.21495303 1.00208595 0.12444653 -0.5132556 0.63880881 0.60498813 1.17304966 -0.4222369 0.09546976 0.25149045 1.01949123 1.23935372 -1.39567433 -5.60441678 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-34-7 6805 144212227 A A Chlorfenac Clc1c(CC(=O)O)c(Cl)ccc1Cl Tox21_301910 -NCGC00255627-01 196711128 tox21-ror-cho-viability-p1 set2 4 0.07229179 -4.2554311 -0.65433073 -1.37558565 -2.84119847 -2.53868469 1.45138103 0.92893368 -0.83983499 -1.99568772 0.90141012 -2.35641998 -2.30567042 -0.77083221 0.50204677 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1610-17-9 15359 144212131 A A Atraton COc1nc(NCC)nc(NC(C)C)n1 Tox21_301814 -NCGC00255482-01 196711135 tox21-ror-cho-viability-p1 set2 4 -2.69845717 -1.19489477 -4.78315118 -4.90518338 -5.03160696 -2.75060481 -2.72226956 -5.36313912 -1.04867911 -3.8677127 -3.04730659 2.69894148 -5.10384062 1.41210491 1.89573181 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4468-42-2 20546 144211543 A Fc 3-Phenylhexane CCC(CCC)c1ccccc1 Tox21_301226 -NCGC00255388-01 196711136 tox21-ror-cho-viability-p1 set2 4 -6.28528771 -1.602334 -0.33022033 1.07972122 -0.30927913 -2.56212888 1.96457541 0.04244478 -2.42284878 0.35701684 -6.08612851 0.53964778 -0.62615219 -0.4100294 -0.86030758 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 116255-48-2 3444 144212751 I I Bromuconazole BrC2CC(Cn1cncn1)(OC2)c3ccc(Cl)cc3Cl Tox21_302434 -NCGC00255664-01 196711137 tox21-ror-cho-viability-p1 set2 4 30.6378586933 -16.101022592 3 -13.101022592 0.6999999999 0.8386354483 0.0031909593 2.90472716 6.00770049 2.38868171 1.37978499 3.48780108 3.04625369 0.73734448 1.55273276 0.38831759 2.49758643 0.55076713 -3.38636653 -0.63984021 -5.93304172 -9.25085216 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27306-78-1 60196421 144212086 A F Silwet L77 C[Si](CCCOCCCCCCCCOC)(O[Si](C)(C)C)O[Si](C)(C)C Tox21_301769 -NCGC00256257-01 196711142 tox21-ror-cho-viability-p1 set2 4 1.7449222 -2.10766394 -1.11366952 -4.36888166 -4.88247015 0.15953922 -2.49652387 -1.4033214 -3.09156349 -0.30102236 -0.35481414 -3.63283504 -2.77098838 -1.83300033 -0.65917621 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7328-17-8 81766 144211935 A A 2-(2-Ethoxyethoxy)ethyl prop-2-enoate CCOCCOCCOC(=O)C=C Tox21_301618 -NCGC00260087-01 196711544 tox21-ror-cho-viability-p1 set2 -3 69.8470682301 -106.7589430341 1.1999327799 -105.5590102542 4.9549173134 0.9857446671 6.6E-9 0.37166831 2.27621163 -0.80520343 7.18033866 -0.85820866 0.48311125 2.2354526 0.95713466 -0.25298229 0.65516816 -0.47782236 -0.17693742 -1.53561873 -0.37675927 -85.82033354 1.198E-9 2.6779999999E-9 5.988E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.485E-7 0.0000016739999999 0.000003742 0.000008368 0.00001871 0.00004184 0.000093559999999 11099-03-9 144209736 M M C.I. Solvent Black 5 Tox21_202538 -NCGC00256819-01 196708184 tox21-ror-cho-viability-p1 set1 4 -1.64494619 2.32578855 0.96012353 3.91127396 3.7034138 0.72694813 -1.96773253 5.73533567 2.00241777 1.39358407 2.20255123 -2.09904415 0.18712004 -1.34542053 1.13277804 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-67-8 31223 144212874 A A Isobutyl 3-phenylacrylate CC(C)COC(=O)C=Cc1ccccc1 Tox21_302557 -NCGC00259046-01 196708586 tox21-ror-cho-viability-p1 set2 -2.4 69.0781761974 -25.7281599399 -1 -26.7281599399 4.9549173134 0.9019838356 0.0002938948 -1.99234856 -2.09082295 0.60407607 -5.85730835 0.38693506 1.083166 0.43926406 -1.64759643 0.76472831 -1.64416607 -0.10612296 -1.54295452 -0.91455052 -1.38551768 -21.85679995 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.4829999999E-7 3.317E-7 7.417E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.00004146 0.000092709999999 50-29-3 3036 144208693 A A p,p'-DDT Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl Tox21_201495 -NCGC00163903-03 196708179 tox21-ror-cho-viability-p1 set1 4 14.5106065892 14.7243144079 -15.2243144079 -0.5 2.0478617061 0.3931398978 0.2781217436 -9.49428968 -0.23788057 -21.7411697 -23.10359534 -9.58094593 -22.82567243 -17.7454374 -18.3622838 -8.71557648 -16.30253867 -18.59371945 -7.58506633 -8.52746777 0.56716071 -1.95127008 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00256604-01 196708181 tox21-ror-cho-viability-p1 set1 4 1.88747707 -6.51899593 2.85334798 -1.48175236 -0.24970046 0.51830313 -6.40856262 -1.01581904 -1.77014327 1.23460588 0.67100082 -0.51514624 0.74008043 0.47148284 5.51181893 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 592-31-4 11595 144213154 A A N-Butylurea NC(=O)NCCCC Tox21_302837 -NCGC00259608-01 196708600 tox21-ror-cho-viability-p1 set2 4 -0.68725468 0.10544266 -0.76662125 2.37508482 2.0110754 -0.06469656 0.99159046 -0.10047126 1.65576713 -0.04105804 2.5677376 1.93855296 3.27766301 4.43222516 4.1680473 1.166E-9 2.608E-9 5.832E-9 1.304E-8 2.9159999999E-8 6.5199999999E-8 1.458E-7 3.26E-7 7.2899999999E-7 0.0000016299999999 0.000003645 0.00000815 0.00001822 0.00004075 0.00009112 98-96-4 1046 144209257 A A Pyrazinamide NC(=O)c1cnccn1 Tox21_202059 -NCGC00259876-01 196709012 tox21-ror-cho-viability-p1 set2 4 2.83652191 -0.85420259 -1.13843277 -0.7189563 0.22744499 1.11725248 1.60387143 0.42661309 1.6498078 2.12495469 0.82340211 -1.02766096 5.44534553 0.67068106 0.68735288 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.000018359999999 0.000041049999999 0.000091779999999 90-00-6 6997 144209525 A A 2-Ethylphenol CCc1ccccc1O Tox21_202327 -NCGC00259450-01 196709015 tox21-ror-cho-viability-p1 set2 4 -3.74179343 -6.06698155 -2.29231505 -18.97054394 0.84287738 -0.91628206 2.50012715 -3.74881407 -2.37377947 -0.33845167 -3.04919216 -4.25789832 -3.45198744 0.2357936 -1.72195534 1.185E-9 2.651E-9 5.927E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3129999999E-7 7.409E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009261 868-85-9 6327114 144209099 D Dimethyl hydrogen phosphite O=P(OC)OC Tox21_201901 -NCGC00259454-01 196709016 tox21-ror-cho-viability-p1 set2 -3 27.8623340816 -42.0352132676 -2.221577446 -44.2567907136 4.9549173134 0.910922973 0.000341305 -0.21534517 -1.91378744 -0.66128685 -7.39806269 -3.4047069 -1.09779632 -4.59402453 -2.50714538 -2.22376843 -2.94820345 -3.55884008 -2.91737926 1.1149508 -46.10082366 -0.19877685 1.1999999999E-9 2.6819999999E-9 5.9979999999E-9 1.3409999999E-8 2.999E-8 6.7059999999E-8 1.5E-7 3.353E-7 7.498E-7 0.000001676 0.000003749 0.0000083819999999 0.000018739999999 0.00004191 0.000093719999999 5329-14-6 5987 144209103 A A Sulfamic acid NS(=O)(=O)O Tox21_201905 -NCGC00259112-01 196709408 tox21-ror-cho-viability-p1 set2 4 2.23949794 -4.21957996 -5.89943048 -4.68580331 0.38051646 0.17174654 -2.88578114 3.97983808 0.3164933 -1.30288563 -0.82761656 0.92569491 -2.38175628 2.90075397 0.48158222 1.164E-9 2.603E-9 5.8199999999E-9 1.301E-8 2.91E-8 6.507E-8 1.4549999999E-7 3.254E-7 7.275E-7 0.0000016269999999 0.0000036379999999 0.000008134 0.00001819 0.00004067 0.00009094 94-11-1 7173 144208761 A F 2,4-D isopropyl ester Clc1cc(Cl)ccc1OCC(=O)OC(C)C Tox21_201563 -NCGC00259269-01 196709410 tox21-ror-cho-viability-p1 set2 4 4.16579526 0.69347971 6.03586412 2.38608054 -1.11993716 2.09698748 0.25367953 -0.75556927 -0.21029586 2.76506188 0.12782894 0.51645577 1.76883182 4.03376077 -1.0683466 1.2169999999E-9 2.7209999999E-9 6.0849999999E-9 1.361E-8 3.042E-8 6.803E-8 1.521E-7 3.401E-7 7.606E-7 0.0000017009999999 0.000003803 0.0000085039999999 0.00001901 0.00004252 0.000095069999999 563-80-4 11251 144208918 FNS 3-Methyl-2-butanone CC(C)C(C)=O Tox21_201720 -NCGC00259310-01 196709419 tox21-ror-cho-viability-p1 set2 4 -1.16395045 0.80700076 0.19418153 -0.12295556 0.16513341 -4.17106628 -4.48004761 0.74118778 -1.25961575 -2.6400611 -0.31200223 -3.12594293 0.9658248 -0.17228862 1.90191752 1.243E-9 2.7789999999E-9 6.2129999999E-9 1.3889999999E-8 3.107E-8 6.9459999999E-8 1.553E-7 3.473E-7 7.7659999999E-7 0.000001737 0.000003883 0.000008683 0.00001942 0.000043409999999 0.00009708 51-79-6 5641 144208959 A A Urethane NC(=O)OCC Tox21_201761 -NCGC00258994-01 196709425 tox21-ror-cho-viability-p1 set2 4 0.29048142 -3.0760156 0.99043277 0.81409058 1.04729765 1.82016179 2.66781812 -0.32466877 2.82435433 2.54106405 4.90389464 4.73505803 6.2395301 4.67350679 2.00546898 1.1509999999E-9 2.575E-9 5.757E-9 1.2869999999E-8 2.879E-8 6.437E-8 1.4389999999E-7 3.218E-7 7.196E-7 0.000001609 0.0000035979999999 0.0000080459999999 0.00001799 0.000040229999999 0.00008995 108-21-4 7915 144208641 FNS Isopropyl acetate CC(=O)OC(C)C Tox21_201443 -NCGC00259279-01 196709432 tox21-ror-cho-viability-p1 set2 4 0.31517094 3.29980761 0.58946879 3.5321763 0.69094148 0.5305196 1.91012495 -0.27719913 -0.3148672 4.10576825 0.88901496 0.50730248 7.18291505 1.42656293 -1.52729696 1.136E-9 2.539E-9 5.678E-9 1.27E-8 2.8389999999E-8 6.348E-8 1.4199999999E-7 3.174E-7 7.098E-7 0.0000015869999999 0.000003549 0.000007935 0.000017739999999 0.00003968 0.000088719999999 3724-65-0 19499 144208928 A A 2-Butenoic acid CC=CC(=O)O Tox21_201730 -NCGC00256084-01 196709825 tox21-ror-cho-viability-p1 set2 4 0.6113056486 4.30230046 -4.80230046 -0.5 4.9549173134 0.3994137553 0.291553775 -0.0343979 -6.47491652 -3.03220289 -9.00191705 -4.40874364 -2.03940745 -7.15056428 -8.23120242 -1.39550048 0.32899183 1.14838701 -1.90240016 -4.17958072 1.91129811 -3.90871162 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5988-91-0 110747 144211548 B F 3,7-Dimethyloctanal CC(C)CCCC(C)CC=O Tox21_301231 -NCGC00259481-01 196721748 tox21-ror-cho-viability-p1 set3 4 19.4491948283 11.67459294 -10.17459294 1.5 4.5044702849 0.3956171488 0.29327386 -15.97882745 -8.1030365 -9.89476917 -0.96721836 -5.62436179 -13.09741773 -14.90292942 -13.58376374 -9.87055415 -6.166908 -12.99116659 -9.90485525 -4.65029224 1.18635678 -6.16057523 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003708 0.000008291 0.00001854 0.00004145 0.00009269 99-87-6 7463 144209130 AC Fns p-Cymene Cc1ccc(cc1)C(C)C Tox21_201932 -NCGC00259666-01 196721732 tox21-ror-cho-viability-p1 set3 4 13.19458595 13.72346843 8.69054152 11.11514935 14.4952416 17.4317425 9.69456495 13.19250659 14.1990498 8.95290667 8.95261357 14.19626492 15.44068004 11.019379 9.52118371 1.1739999999E-9 2.624E-9 5.8689999999E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091699999999 50-78-2 2244 144209315 A Cc Aspirin O=C(C)Oc1ccccc1C(=O)O Tox21_202117 -NCGC00259094-01 196721733 tox21-ror-cho-viability-p1 set3 4 19.6658616925 12.5422139679 -5.5422139679 7 4.9549173134 0.5815379713 0.1108115499 -5.91382755 -10.77361976 -4.02294971 4.74040838 -4.68840031 -12.11851164 -4.70807637 -4.81580377 -6.32209092 -5.81500805 -4.29174514 -5.21224225 0.34831288 7.87059922 5.41383639 1.197E-9 2.676E-9 5.983E-9 1.338E-8 2.9909999999E-8 6.689E-8 1.496E-7 3.344E-7 7.478E-7 0.0000016719999999 0.0000037389999999 0.000008361 0.000018699999999 0.00004181 0.00009348 58-15-1 6009 144208742 A A 4-Dimethylaminoantipyrine CN(C)C=2C(=O)N(c1ccccc1)N(C)C=2C Tox21_201544 -NCGC00259761-01 196721737 tox21-ror-cho-viability-p1 set3 4 23.7191095582 12.212991184 -9.712991184 2.5 4.9549173134 0.5773228728 0.1140536303 -7.53164477 -14.34415932 -4.79730865 -1.34149165 -9.24912713 -14.13963085 -9.12882681 -13.20154565 -14.13225167 -12.05504348 -8.45922403 -8.67851785 -7.45644299 3.14620903 1.54060151 1.155E-9 2.582E-9 5.7739999999E-9 1.291E-8 2.887E-8 6.4549999999E-8 1.443E-7 3.2279999999E-7 7.217E-7 0.000001614 0.0000036089999999 0.000008069 0.000018039999999 0.00004035 0.00009022 139-02-6 4445035 144209410 A A Sodium phenolate [Na+].[O-]c1ccccc1 Tox21_202212 -NCGC00258832-01 196721751 tox21-ror-cho-viability-p1 set3 4 13.4908172915 8.4354386159 -6.9354386159 1.5 4.9549173134 0.5891055434 0.1056127156 -5.86270625 -5.84111875 -6.7232722 -5.64476618 -12.02953218 -9.90067948 -10.02100297 -5.22399632 -9.07796887 -1.40272047 -5.0785361 -8.70307009 1.03002965 3.17165648 -1.25376932 1.166E-9 2.6069999999E-9 5.83E-9 1.304E-8 2.9149999999E-8 6.518E-8 1.458E-7 3.259E-7 7.288E-7 0.0000016299999999 0.0000036439999999 0.0000081479999999 0.00001822 0.00004074 0.000091099999999 92-15-9 7078 144208478 A B N-(2-Methoxyphenyl)-3-oxobutanamide COc1ccccc1NC(=O)CC(C)=O Tox21_201280 -NCGC00259028-01 196722138 tox21-ror-cho-viability-p1 set3 2.1 38.5315576806 107.4417662333 -4.816253235 102.6255129983 2.4063783767 0.9726001172 2.896E-7 -4.35681514 -4.93687947 -3.99495763 0.02708329 0.01672951 -4.17610264 -2.89415505 -5.88961672 -5.68928141 -2.50547135 -5.12430554 -5.57864332 -2.96330156 59.62399529 89.0846467 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.947E-8 6.591E-8 1.474E-7 3.295E-7 7.368E-7 0.000001648 0.000003684 0.000008238 0.00001842 0.00004119 0.00009211 389-08-2 4421 144208675 A A Nalidixic acid O=C(O)C2=CN(CC)c1nc(C)ccc1C2=O Tox21_201477 -NCGC00259360-01 196722141 tox21-ror-cho-viability-p1 set3 4 -8.31886706 -6.28617899 -5.53728767 -0.92132176 -2.25197026 -6.2458243 -4.77982433 -2.75800924 -6.4885972 0.3349173 -4.31186805 -5.16694687 -2.72268268 1.41930814 -1.5050594 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.961E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008275 0.0000185 0.00004138 0.000092519999999 118-55-8 8361 144209009 A A Phenyl salicylate Oc2ccccc2C(=O)Oc1ccccc1 Tox21_201811 -NCGC00259736-01 196722142 tox21-ror-cho-viability-p1 set3 4 34.3762428541 16.6775677559 -8.6775677559 8 1.287561 0.6290169821 0.0774064025 -9.06803486 -12.80494191 -1.69578323 -9.70448893 -8.04226945 -11.67511326 -7.11916872 -7.20767974 -13.89797313 -4.51763273 -8.72137395 -6.22601455 -2.10698415 -2.32924575 6.37741001 1.18E-9 2.6389999999E-9 5.9009999999E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.299E-7 7.376E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.0000922 464-49-3 159055 144209385 A A D-Camphor CC2(C)[C@H]1CC(=O)[C@]2(C)CC1 Tox21_202187 -NCGC00015615-15 196722536 tox21-ror-cho-viability-p1 set3 4 66.8242472666 26.802952608 -0.802952608 26 0.3 0.4132812734 0.2593319256 1.25809649 -0.04345569 -0.34352484 -1.08579384 2.76597448 1.81788768 -0.34752354 0.94742495 9.35620677 9.72975108 6.91369545 5.04179816 6.24516795 -0.65636157 21.50247047 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103577-45-3 3883 170464649 A Lansoprazole FC(F)(F)COc3ccnc(CS(=O)c1nc2ccccc2n1)c3C Tox21_110184_1 -NCGC00179445-03 196722539 tox21-ror-cho-viability-p1 set3 4 29.8492948118 11.093288396 -0.593288396 10.5 0.4 0.605684793 0.0959325734 0.98185973 -0.32945364 -2.57774033 0.33667804 0.54372552 0.91580586 0.18146606 -1.22733748 1.60938599 2.85206262 3.81176717 1.7170552 3.82792843 1.42275423 7.52945635 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 152-62-5 9051 170465104 A Dydrogesterone CC(=O)[C@H]2CC[C@H]3[C@@H]4C=CC1=CC(=O)CC[C@@]1(C)[C@@H]4CC[C@]23C Tox21_110429_1 -NCGC00016710-05 196722542 tox21-ror-cho-viability-p1 set3 4 1.31911844 -3.38015036 -3.42796991 -8.65812128 -7.93130463 -9.31534581 13.24100301 16.78486169 -12.27196648 -12.51458923 9.18307467 11.46039479 5.38914845 10.79113673 -14.98042323 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14976-57-9 5281069 170465318 A Clemastine fumarate CN3CCC[C@@H]3CCO[C@](C)(c1ccccc1)c2ccc(Cl)cc2.O=C(O)/C=C/C(=O)O Tox21_110574_1 -NCGC00256743-01 196719291 tox21-ror-cho-viability-p1 set2 4 0.35409409 0.97807029 2.44950823 0.93488395 -0.85034656 -7.98624332 -2.24050605 -0.64953534 0.04625225 -7.37622359 0.45846092 2.31023971 0.58992183 -0.34775688 2.16936025 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 255714-11-5 90592 144212870 A F 3,7-Dimethyloct-6-en-1-yl 2-methylbut-2-enoate C\C(C)=C\CCC(C)CCOC(=O)C(C)=CC Tox21_302553 -NCGC00253636-01 196717144 tox21-ror-cho-viability-p1 set2 4 4.22652468 -1.32766106 2.19185661 4.19232259 4.88153256 6.56594878 3.73609549 5.53421679 -0.08078852 2.94616908 3.27674059 -0.45199239 2.50966312 3.43839705 0.45149296 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54396-44-0 2735932 170466684 F A 3-(Trifluoromethyl)-o-toluidine Cc1c(cccc1N)C(F)(F)F Tox21_113763 -NCGC00164532-02 196717155 tox21-ror-cho-viability-p1 set2 4 -5.52366854 -4.63180056 -1.44830759 -5.35465038 -0.58974751 -1.80454904 -1.48149975 -1.69156179 -6.51725722 -0.9315674 -2.09421909 -1.72442159 -0.80213676 -0.78818332 2.30470671 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1693-37-4 74325 170466245 A Parapropamol Oc1ccc(NC(=O)CC)cc1 Tox21_112163_1 -NCGC00247355-02 196717140 tox21-ror-cho-viability-p1 set2 4 -2.80612489 -8.42547138 -4.08641976 -2.64815303 -3.01524813 -2.5880112 -0.30642708 -2.91087545 -3.54137659 -0.59029531 0.62294857 1.42085241 1.16203129 -1.27856941 -2.81416229 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 60561-17-3 65494 144206432 A A Sufentanil citrate O=C(O)C(O)(CC(=O)O)CC(=O)O.CCC(=O)N(c1ccccc1)C2(COC)CCN(CC2)CCc3cccs3 Tox21_112879 -NCGC00262944-01 196717147 tox21-ror-cho-viability-p1 set2 4 -0.5961336 -0.64783206 -5.30960092 0.24383656 -4.21076508 -0.61671226 1.74733646 -4.41885739 4.25214546 2.44551052 1.80009104 3.26818095 0.89213249 2.02480014 0.78955555 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1050-48-2 66247 170466542 A A Benzilonium bromide [Br-].O=C(OC1CC[N+](CC)(CC)C1)C(O)(c2ccccc2)c3ccccc3 Tox21_113937 -NCGC00015714-16 196717556 tox21-ror-cho-viability-p1 set2 4 0.3349145963 -6.2330485999 4 -2.2330485999 4.9549173134 0.7037731257 0.0369874872 5.40411791 0.96788977 0.10862565 4.31514789 5.93224969 4.34551602 4.8087829 4.55103958 -0.31968694 -0.97875385 -1.64222831 -2.33476588 0.27365695 -6.0275405 -3.12029564 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66085-59-4 4497 170466561 A Nimodipine CC=1NC(C)=C(C(C=1C(=O)OC(C)C)c2cccc(c2)[N+]([O-])=O)C(=O)OCCOC Tox21_110202_1 -NCGC00016685-11 196717557 tox21-ror-cho-viability-p1 set2 4 -0.44868977 -2.88008621 1.09304123 -3.77759572 -3.11975239 -3.73477074 1.67496897 2.09933398 -4.02875758 -11.05532492 -3.77041152 -1.8766699 2.4698511 0.31835934 -4.20931156 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7681-76-7 5094 170466596 A Ronidazole Cn1c(cnc1COC(N)=O)[N+]([O-])=O Tox21_110560_1 -NCGC00253631-01 196717563 tox21-ror-cho-viability-p1 set2 4 1.01178586 -0.16190973 1.87475912 3.23720515 3.71876397 5.04709297 3.19061107 4.06774257 2.01836646 3.60523518 -1.31082301 -1.84931448 0.53339287 3.08487637 -1.76993872 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1008-65-7 5380573 170466740 A A Fenadiazole Oc1ccccc1c2nnco2 Tox21_113759 -NCGC00257289-01 196718400 tox21-ror-cho-viability-p1 set2 4 -1.5529921 0.59318141 2.91599414 -1.32186756 -1.82724697 -3.66131149 -0.02128737 -2.31710124 1.9425365 -2.95172589 -4.09320934 1.1715401 3.56736257 -0.06089548 2.28403211 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-39-1 8469 144213682 B Bc Ethyl 3-phenylglycidate CCOC(=O)C2OC2c1ccccc1 Tox21_303367 -NCGC00256632-01 196718795 tox21-ror-cho-viability-p1 set2 -1.1 30.6378586933 -80.0459449529 -4.334643255 -84.3805882079 4.9549173134 0.9711465994 3.887E-7 0.4499865 -4.21882411 -4.57154816 0.19877668 -15.07136891 -12.92456064 -1.75334765 -2.77781024 -1.74182515 -6.85572106 -2.68958459 -1.37235974 -11.20219109 -68.68675973 -87.89644605 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3282-73-3 18669 144212925 A A Didodecyldimethylammonium bromide [Br-].C[N+](C)(CCCCCCCCCCCC)CCCCCCCCCCCC Tox21_302608 -NCGC00257131-01 196718806 tox21-ror-cho-viability-p1 set2 -2.4 68.5896218971 -29.838156224 2.5 -27.338156224 4.9549173134 0.8376075657 0.0032367588 1.53422635 0.55346372 -0.11053504 5.87851079 -0.81475612 6.10054422 -0.58219948 5.70312093 3.63444003 1.33493486 7.52544556 3.05188023 -0.81330669 1.80690502 -21.94846352 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 7085-85-0 81530 144213552 F F Ethyl cyanoacrylate N#CC(=C)C(=O)OCC Tox21_303235 -NCGC00256443-01 196719211 tox21-ror-cho-viability-p1 set2 4 -0.37659377 1.08299084 0.98880912 0.59155841 0.96567588 -5.4455648 -4.48144162 -0.07975526 0.24438543 -9.88109011 -15.17556899 6.22679328 3.31356557 3.39454356 0.44159077 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 105-55-5 2735009 144213273 A A N,N'-Diethylthiourea CCNC(=S)NCC Tox21_302956 -NCGC00256421-01 196719223 tox21-ror-cho-viability-p1 set2 4 4.3277125691 11.338476448 -6.838476448 4.5 0.4 0.6078715228 0.0924325722 -3.30629788 -9.86539704 -3.24932352 -7.19470819 -6.75319938 -7.23529601 -0.85340846 -4.58956638 -3.71040711 -0.64789118 0.14663532 -4.16553472 0.48935212 0.94904674 3.0837632 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 930-55-2 13591 144213230 A F N-Nitrosopyrrolidine O=NN1CCCC1 Tox21_302913 -NCGC00257444-01 196719231 tox21-ror-cho-viability-p1 set2 4 -0.44673726 0.57482713 0.32614741 0.72808877 1.81019953 -3.37546626 -2.75509575 -2.18059653 1.34305147 1.86435755 -3.82991386 1.34716014 -3.60353967 -0.30785569 -2.67535887 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 108-22-5 7916 144213667 Fns Isopropenyl acetate C=C(C)OC(C)=O Tox21_303350 -NCGC00164283-07 196713670 tox21-ror-cho-viability-p1 set2 -2.2 29.8492948118 -70.5192437704 -2.122605734 -72.6418495044 1.78848746 0.9553386515 0.0000045201 1.19435317 0.11798687 0.80480582 -0.29938549 -0.1808068 -2.86368773 -1.26434584 -5.73604799 -1.88703921 -2.88861017 -7.19499343 -8.26711188 -13.29723749 -22.49841155 -55.03170417 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-09-0 5974 170465714 F Hexadecyltrimethylammonium bromide [Br-].C[N+](C)(C)CCCCCCCCCCCCCCCC Tox21_112096_1 -NCGC00254783-01 196714076 tox21-ror-cho-viability-p1 set2 4 -0.18808448 2.39119727 0.02593476 -0.41801962 0.33289878 -0.0372851 1.72519314 0.65600962 1.66796944 6.18103046 0.52076256 6.23746662 3.90730018 0.80006535 5.51842493 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123312-89-0 9576037 144211196 A A Pymetrozine CC=2CN(/N=C/c1cccnc1)C(=O)NN=2 Tox21_300879 -NCGC00015649-08 196713666 tox21-ror-cho-viability-p1 set2 4 0.49957068 2.5762607 0.88710849 -0.58315331 -0.89253252 0.47232595 1.663216 0.75255403 2.60073593 0.59037909 -0.89397255 0.34896759 -0.47349739 3.09878732 1.37351146 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 75438-57-2 4810 170466534 A Moxonidine hydrochloride hydrate COc2nc(C)nc(Cl)c2NC1=NCCN1 Tox21_110190_1 -NCGC00016509-06 196713669 tox21-ror-cho-viability-p1 set2 4 4.50516224 4.05990765 0.28009284 2.67322954 3.01982523 3.77068078 4.37873118 0.25361098 7.16755035 1.59902252 3.14930407 0.02746488 3.6931531 2.05968254 1.69939379 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 554-92-7 68385 170465132 A Trimethobenzamide hydrochloride Cl.COc1c(cc(cc1OC)C(=O)NCc2ccc(OCCN(C)C)cc2)OC Tox21_110465_1 -NCGC00254714-01 196714078 tox21-ror-cho-viability-p1 set2 4 1.6068504 0.19432972 -1.02844424 -1.00785784 1.38591369 1.4939354 1.0336252 -0.11137101 0.81203383 4.02557317 0.93495129 2.52353768 6.8055218 1.18808919 3.18722023 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-97-3 7590 144211127 A A Ethyl phenylacetate O=C(OCC)Cc1ccccc1 Tox21_300810 -NCGC00254564-01 196714480 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -39.8419562399 -1.5 -41.3419562399 4.5044702849 0.9412581413 0.0000202473 -3.14903575 1.50818576 -1.83889259 1.34489081 -2.71274517 1.28683138 -3.11661583 -1.67780581 -0.01011103 -0.80081108 -2.91681041 -5.88040642 -3.06267304 -4.92886748 -33.2016302 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2971-36-0 76302 144210973 A A 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane Oc1ccc(cc1)C(c2ccc(O)cc2)C(Cl)(Cl)Cl Tox21_300656 -NCGC00091080-03 196714482 tox21-ror-cho-viability-p1 set2 4 72.2872373268 16.302441648 -3.302441648 13 4.9549173134 0.4603128801 0.2154104031 -2.32758585 -5.95401441 1.31765285 -2.02719398 -0.8051535 -6.11660653 -3.76205186 -8.58536804 -8.08851401 1.53832553 -5.19973975 2.6107905 -7.17252648 -4.18300711 9.31438023 1.1199999999E-9 2.5029999999E-9 5.5979999999E-9 1.2519999999E-8 2.799E-8 6.259E-8 1.399E-7 3.129E-7 6.9969999999E-7 0.0000015649999999 0.000003499 0.000007823 0.000017489999999 0.00003912 0.00008747 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00254406-01 196714487 tox21-ror-cho-viability-p1 set2 4 -2.01869983 -0.63229814 4.34291779 3.97177349 0.87395456 -0.07583199 0.19122536 4.22337397 4.22419262 0.22644273 0.47274553 1.38283964 5.43650971 4.36477892 6.99361469 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 556-67-2 11169 144210865 FC Octamethylcyclotetrasiloxane C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 Tox21_300547 -NCGC00254403-01 196714497 tox21-ror-cho-viability-p1 set2 4 1.65785406 1.82708861 4.34717864 1.84448077 -0.85035828 5.25347683 1.7624326 1.61573716 2.67038815 5.11623777 1.39876406 9.26010161 6.67084635 3.08587883 0.3794875 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 77-71-4 6491 144210679 A A 5,5-Dimethylhydantoin O=C1NC(=O)C(C)(C)N1 Tox21_300361 -NCGC00254567-01 196714498 tox21-ror-cho-viability-p1 set2 4 -1.48863486 -13.16597969 -1.34443039 -1.9451091 -4.31801126 0.68318761 -8.71489028 -8.50306938 -2.25863473 -6.47492745 -6.98813419 0.17968526 -1.69794738 -0.34586875 -1.77478082 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 180-84-7 67437 144210976 A F 1,7-Dioxaspiro[5.5]undecane C2COC1(CCCCO1)CC2 Tox21_300659 -NCGC00254186-01 196714500 tox21-ror-cho-viability-p1 set2 4 0.43158101 0.45325047 3.5085155 0.45585249 0.05758672 4.04679515 -0.79291714 1.45863607 -0.07624675 1.88924587 1.01073192 5.00094052 5.37081344 1.18928608 3.56839178 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 584-13-4 11432 144210517 A Ac 4-Amino-1,2,4-triazole Nn1cnnc1 Tox21_300197 -NCGC00254313-01 196714901 tox21-ror-cho-viability-p1 set2 4 -7.29144933 -11.18889202 -5.68085689 -12.66594734 -6.30330061 -6.49366649 0.86773681 -5.64953014 -8.95566243 0.298023 -5.19298913 -22.34271259 -1.44216778 0.68742278 1.33657897 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 599-79-1 5359476 144210859 A A Sulfasalazine O=S(=O)(Nc1ccccn1)c3ccc(/N=N/c2cc(C(=O)O)c(O)cc2)cc3 Tox21_300541 -NCGC00254928-01 196714911 tox21-ror-cho-viability-p1 set2 4 30.6378586933 -25.951470512 3 -22.951470512 0.2 0.5548366709 0.1317970066 0.51333955 0.01433148 1.24092354 0.17138169 0.66732874 -4.42248249 -2.37255996 -5.95358909 -11.2798227 -10.12650689 -3.87615434 -0.4149385 -11.71907488 -6.71294161 -17.45955876 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-39-4 11487 144211343 A A Diphenylamine c1ccccc1Nc2ccccc2 Tox21_301026 -NCGC00255346-01 196711121 tox21-ror-cho-viability-p1 set2 4 -0.03124669 7.83005247 0.04588816 -0.27490788 -0.98660678 5.63539203 -0.07416047 0.24973181 -0.39530415 1.19637033 0.20119653 3.52204617 1.08889662 3.37207435 6.88414381 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-65-6 61571 144212116 A F N,N-Diethylcyclohexylamine CCN(CC)C1CCCCC1 Tox21_301799 -NCGC00256155-01 196710682 tox21-ror-cho-viability-p1 set2 4 1.07602649 5.39142016 4.48559565 3.54922238 3.52658329 3.83108418 -0.45436166 0.46508007 -0.19893845 1.87371478 0.9788934 1.45600031 0.21419839 1.56958303 0.36432786 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4221-98-1 442482 144212618 F Fns (R)-alpha-Phellandrene CC=1C=C[C@H](CC=1)C(C)C Tox21_302301 -NCGC00090760-08 196710702 tox21-ror-cho-viability-p1 set2 -3 60.7577547203 -38.876184007 -1.5 -40.376184007 4.9549173134 0.9616509964 0.0000019434 -5.17788345 -4.41248083 -2.10222173 -0.24680819 -2.42779249 -0.73919805 0.17577367 -3.31869749 -0.96921454 -1.47318251 -0.8105838 1.40967976 0.27829589 -6.48994285 -36.01284445 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00255546-01 196711116 tox21-ror-cho-viability-p1 set2 4 1.76983286 2.33337436 2.03340943 0.89970936 -1.28799484 0.43698105 -1.63827297 0.84065647 2.642557 2.35187876 1.73637434 1.67805389 1.40703789 3.13214037 1.47520342 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1469-48-3 92888 144212360 A A cis-1,2,3,6-Tetrahydrophthalimide O=C1NC(=O)[C@@H]2CC=CC[C@H]12 Tox21_302043 -NCGC00091657-02 196711516 tox21-ror-cho-viability-p1 set2 4 68.5896218971 18.027575964 1.472424036 19.5 3.9294729863 0.8078136768 0.0068377461 3.00200776 3.97835154 3.82830127 2.98510922 1.77647781 0.57385715 0.52052073 0.95145619 3.38780412 -1.27297997 3.10260249 1.34364875 -1.16112091 4.09589427 15.2158817 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00260303-01 196711531 tox21-ror-cho-viability-p1 set2 2.4 44.777766168 25.5 2.5 28 1.0999999999 0.8643884986 0.0014210177 2.08878907 0.34289149 1.20295796 1.24979691 0.04109746 2.12001379 3.1681721 7.15454144 6.41643805 4.22375767 1.23259048 7.74197305 10.2357125 12.94508128 21.90475701 1.214E-9 2.7139999999E-9 6.0679999999E-9 1.357E-8 3.034E-8 6.7849999999E-8 1.517E-7 3.3919999999E-7 7.586E-7 0.000001696 0.000003793 0.0000084809999999 0.00001896 0.000042399999999 0.000094819999999 19355-69-2 88022 144209954 Ac 2-Amino-2-methylpropionitrile N#CC(C)(C)N Tox21_202756 -NCGC00357208-01 196711536 tox21-ror-cho-viability-p1 set2 2.4 68.5896218971 36.849662296 -1.349662296 35.5 4.9549173134 0.9522432605 0.0000065682 -3.35278508 -3.44786957 -3.62471858 1.0653379 0.13923021 -2.27345148 0.16575765 0.14681448 -3.43663141 -1.15918063 0.76414988 -2.6110221 0.71527822 1.39676486 28.53376071 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5103-74-2 12303039 251919740 trans-Chlordane ClC2=C(Cl)[C@]3(Cl)[C@H]1C[C@@H](Cl)[C@H](Cl)[C@H]1[C@@]2(Cl)C3(Cl)Cl Tox21_303985 -NCGC00356950-01 196711936 tox21-ror-cho-viability-p1 set2 4 0.2501985 -0.35034478 -2.17191346 -1.99545227 0.7689896 1.12748404 0.64698932 1.41038947 1.59446045 3.22070757 1.62251136 -3.95994014 -5.26792674 5.95196627 -6.4111385 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 75389-89-8 22419268 251919697 A Diethylmethylbenzenediamine CCc1c(N)cc(C)c(CC)c1N Tox21_303857 -NCGC00260402-01 196711940 tox21-ror-cho-viability-p1 set2 2.4 69.9870189297 30.2620627521 1.7379372479 32 0.9999999999 0.8022490616 0.0076163483 -0.68796411 0.25452378 1.57605684 4.69833719 -1.05171896 0.25685965 2.75291602 4.48316841 3.38417328 4.45855415 2.34350506 4.5175907 4.18005007 8.9293019 24.87879912 1.1999999999E-9 2.684E-9 6.001E-9 1.3419999999E-8 3.0009999999E-8 6.71E-8 1.5E-7 3.355E-7 7.5019999999E-7 0.000001677 0.0000037509999999 0.000008387 0.00001875 0.000041939999999 0.000093769999999 616-09-1 92821 144210054 A Propanoic acid,2-hydroxy-,propylester CC(O)C(=O)OCCC Tox21_202856 -NCGC00259816-01 196709068 tox21-ror-cho-viability-p1 set2 4 3.06626378 -0.90501395 0.19060894 -0.81124754 -1.5390744 -1.77460929 -4.83440503 -1.0446159 -1.00780509 -2.14852572 -2.37485477 1.01183585 -0.53741243 2.21715663 1.36931828 1.165E-9 2.606E-9 5.827E-9 1.303E-8 2.9129999999E-8 6.514E-8 1.457E-7 3.2569999999E-7 7.2829999999E-7 0.000001629 0.0000036419999999 0.000008143 0.00001821 0.00004071 0.00009104 2425-79-8 17046 144209465 A A 1,4-Butanediol diglycidyl ether C(CCCOCC1CO1)OCC2CO2 Tox21_202267 -NCGC00259258-01 196708648 tox21-ror-cho-viability-p1 set2 -1.1 5.4870745757 -89.5100206161 0.978574005 -88.5314466111 1.34431 0.9545796053 0.0000049532 0.98640523 -2.43746804 1.6164248 -2.41824765 -2.47741862 -0.20391831 3.56679969 2.97928993 -1.22080489 -4.10154792 -41.66679131 -64.3770865 -54.1187709 -88.52221829 -91.64746026 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.4829999999E-7 3.317E-7 7.417E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.00004146 0.000092709999999 2425-06-1 17038 144208907 I D Captafol ClC(Cl)C(Cl)(Cl)SN2C(=O)C1CC=CCC1C2=O Tox21_201709 -NCGC00258912-01 196709058 tox21-ror-cho-viability-p1 set2 4 0.23281125 -1.1600121 -1.61659074 2.66373896 3.21408374 0.18510913 -1.71227085 -0.48339816 3.19388418 -1.03557041 -1.79348112 2.20453368 2.57663507 0.09234829 2.95366306 1.171E-9 2.618E-9 5.8529999999E-9 1.3089999999E-8 2.927E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.316E-7 0.0000016359999999 0.000003658 0.00000818 0.00001829 0.0000409 0.00009146 98-94-2 7415 144208558 FNS N,N-Dimethylcyclohexylamine CN(C)C1CCCCC1 Tox21_201360 -NCGC00259356-01 196709067 tox21-ror-cho-viability-p1 set2 4 -1.81186895 0.0771231 -1.6143148 0.14312524 0.7912599 -0.68587966 0.87379963 -0.53608304 -0.16630616 -1.00383566 1.01690692 -0.40004048 -0.87178869 1.08712212 1.09088691 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.968E-8 6.6359999999E-8 1.484E-7 3.318E-7 7.4189999999E-7 0.000001659 0.0000037099999999 0.000008295 0.00001855 0.000041479999999 0.00009274 116-53-0 8314 144209005 A A 2-Methylbutanoic acid CC(CC)C(=O)O Tox21_201807 -NCGC00260537-01 196723786 tox21-ror-cho-viability-p1 set3 4 6.7823065197 18.08276078 -8.08276078 10 0.3 0.4469313514 0.2274965126 -12.14449055 -5.87070712 1.09398846 -3.71078161 -5.95232687 -5.91401077 -12.15230065 3.10662917 -4.08919923 0.57234195 4.75757957 -2.41292257 0.01510954 1.85693722 7.66797638 1.1689999999E-9 2.6129999999E-9 5.843E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.461E-7 3.2659999999E-7 7.3029999999E-7 0.0000016329999999 0.000003652 0.0000081649999999 0.00001826 0.000040829999999 0.00009129 80-05-7 6623 144210190 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_202992 -NCGC00166146-02 196723371 tox21-ror-cho-viability-p1 set3 -3 29.8492948118 -126.1635153716 3.1399591967 -123.0235561749 4.9549173134 0.9291844335 0.0000545472 14.10466095 14.76633528 12.56453511 6.23697818 0 4.55508306 4.78748627 1.66296529 -7.21013796 -14.08130243 2.24164721 1.26222962 -6.76972093 -8.02865065 -110.83203259 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 152-43-2 9046 170465054 A Quinestrol C#C[C@]5(O)CC[C@@H]2[C@]5(C)CC[C@@H]3c4ccc(OC1CCCC1)cc4CC[C@@H]23 Tox21_112340_1 -NCGC00015216-17 196723368 tox21-ror-cho-viability-p1 set3 2.4 33.4914596268 29.404766832 2.095233168 31.5 3.6272481694 0.8792417529 0.0008183345 0.17749476 0.95205536 0.15829688 3.37667425 2.22369277 1.51294687 2.65471216 -2.00397236 6.40019681 1.94665416 5.38698824 4.22590977 0.58879607 6.63613927 24.49263788 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-20-2 2727 170464898 A Chlorpropamide O=S(=O)(NC(=O)NCCC)c1ccc(Cl)cc1 Tox21_110102_1 -NCGC00188865-03 196723375 tox21-ror-cho-viability-p1 set3 4 1.50112127 0.74595286 0.54929146 1.18724662 2.21366566 2.6579758 0.28352285 3.71630973 -6.99649927 3.37351685 -13.06750891 2.2391115 -1.00224516 2.171174 10.37160363 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 444731-52-6 10113978 170465625 A Pazopanib NS(=O)(=O)c1cc(ccc1C)Nc2nccc(n2)N(C)c3ccc4c(C)n(C)nc4c3 Tox21_113174_1 -NCGC00357035-01 196723809 tox21-ror-cho-viability-p1 set3 4 12.1971512362 10.8692062279 -3.3692062279 7.5 1.8616924601 0.443061782 0.2311061612 -6.89740069 -0.22211814 -6.47411752 -8.88553278 -1.63424839 -0.73526778 0.71947528 3.10342104 -13.64100519 1.47359642 -2.7658179 -0.59993103 5.21237142 4.80048324 8.2376637 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 622-45-7 12146 251919925 A Cyclohexyl acetate O=C(C)OC1CCCCC1 Tox21_303723 -NCGC00021301-06 196697633 tox21-ror-cho-viability-p1 set1 4 -1.28594747 -0.72812313 -1.47571738 0.15997556 -1.09401577 1.06353856 -0.92396997 -0.79349653 -0.51507322 -1.47061585 -2.04453893 0.24698824 -0.70224418 -0.37590918 6.44670278 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67-73-2 6215 170464630 A Fluocinolone acetonide OCC(=O)[C@]45OC(C)(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3C[C@H](F)C1=CC(=O)C=C[C@@]12C Tox21_110869_1 -NCGC00254099-01 196720143 tox21-ror-cho-viability-p1 set3 4 -2.24591735 -1.39739453 2.10033435 7.64856778 -1.46252396 8.06249096 -2.90062151 1.70231033 6.59308401 -1.69792264 5.94784535 6.23753923 4.7317058 8.78602778 4.85318595 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 111-87-5 957 144210416 A A 1-Octanol CCCCCCCCO Tox21_300096 -NCGC00163930-04 196720121 tox21-ror-cho-viability-p1 set3 4 -4.29818975 -8.62805725 -1.42460177 2.40265131 -1.9142141 -2.38566654 -7.4638245 2.74185655 -7.69731966 -4.58020739 -15.8293883 -20.09520012 2.6570804 -20.57513454 -0.35961676 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00244579-01 196720122 tox21-ror-cho-viability-p1 set3 -3 0.2433651621 -91.5909133982 -7.5374855049 -99.1283989031 4.9549173134 0.9634677948 0.0023785509 -12.39458885 -14.97169864 -4.85637447 -5.68015974 -8.60121496 -6.91696685 -5.14234003 -86.95473588 -1.92625861 -2.27218224 -3.32299757 -0.59884191 -3.89339792 -8.1000645 -24.36991264 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00254963-01 196720129 tox21-ror-cho-viability-p1 set3 4 6.43025132 -1.3065555 -7.24951835 8.7814309 -0.78013391 0.80616285 7.31319206 -0.26911587 -1.75558118 0.13368402 -0.24957123 -2.12534451 -1.59264895 -4.88520878 -1.99448023 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103361-09-7 92425 144211378 A A Flumioxazin O=C4C=1CCCCC=1C(=O)N4c2cc3c(cc2F)OCC(=O)N3CC#C Tox21_301061 -NCGC00254841-01 196720543 tox21-ror-cho-viability-p1 set3 1.4 0.0034376243 26.5610861519 -26.0610861519 0.5 0.4 0.8353955654 0.0034472355 -15.2904724 -18.38423846 -8.01031626 -7.42853361 -8.66829773 -5.04528382 -3.72790238 -2.79173417 -1.2454429 -6.93940627 0.468668 -0.96579058 -1.26308074 0.37675153 1.99022702 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108419-33-6 22833466 144211256 B F Acetic acid, C8-10-branched alkyl esters, C9-rich O=C(C)OCCC(C)C(CC)CC Tox21_300939 -NCGC00091657-02 196720557 tox21-ror-cho-viability-p1 set3 4 10.8707224818 13.321740292 -8.321740292 5 0.4 0.5162427441 0.1649940166 -4.73351946 -4.68870341 -11.91472457 -12.76811691 -8.92295672 -4.44444225 -7.13207608 -0.1227937 -6.21609056 -3.10641235 -4.57288835 -0.74172267 -4.64554954 0.63982219 2.91308766 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00015801-12 196697555 tox21-ror-cho-viability-p1 set1 4 1.49383169 1.54796507 2.01671087 1.04390276 3.62835122 5.62432979 1.63775892 3.17903537 0.219038 1.36099439 8.3779751 6.06644685 2.31475846 1.64269281 2.26137443 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6493-05-6 4740 170465384 A Pentoxifylline CC(=O)CCCCN2C(=O)c1n(C)cnc1N(C)C2=O Tox21_110223_1 -NCGC00015675-08 196697536 tox21-ror-cho-viability-p1 set1 4 -2.47271499 -0.71391857 -0.16297439 1.01113474 -0.7197673 1.49341761 -0.98061165 1.03561967 -0.50637296 -2.04124813 1.33804456 -1.29987599 1.23810897 -0.40651046 -1.19428532 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00164168-02 196725065 tox21-ror-cho-viability-p1 set3 4 4.27285841 -1.3274794 -0.26074421 -1.89762385 -1.27670047 2.6860931 -0.02904156 4.63651705 10.0221104 7.56014214 2.12027011 3.11820149 -0.54049031 -0.72865801 0.00659136 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00260299-01 196724246 tox21-ror-cho-viability-p1 set3 4 0.0691480168 7.880915904 -4.380915904 3.5 2.7202212143 0.6080367303 0.0916865715 -4.94791152 -4.69946692 -6.56742992 -1.71522055 -3.93906644 -0.98099897 2.47406648 3.75284496 6.38654992 4.37927468 2.6792516 -2.98792005 -1.37059041 5.67710419 9.39346887 1.188E-9 2.657E-9 5.942E-9 1.3289999999E-8 2.971E-8 6.6429999999E-8 1.4849999999E-7 3.3219999999E-7 7.427E-7 0.0000016609999999 0.000003714 0.000008304 0.00001857 0.00004152 0.00009284 5421-46-5 21534 144209949 Ac Ac Ammonium thioglycolate [NH4+].[O-]C(=O)CS Tox21_202751 -NCGC00260325-01 196724652 tox21-ror-cho-viability-p1 set3 4 -9.51317346 8.13313333 10.03423155 5.63038985 9.48452735 -2.75055954 5.74041849 2.05829971 -1.92948189 4.1653994 6.39011969 0.76581146 5.10347923 -2.30904631 2.32571139 7.409E-11 1.6569999999E-10 3.704E-10 8.283E-10 1.8519999999E-9 4.142E-9 9.261E-9 2.0709999999E-8 4.63E-8 1.035E-7 2.315E-7 5.177E-7 0.000001158 0.000002588 0.000005788 3012-65-5 5284342 144209976 Fns Ammonium citrate (2:1) [NH4+].[NH4+].O=C([O-])CC(O)(CC(O)=O)C([O-])=O Tox21_202778 -NCGC00093704-12 196725061 tox21-ror-cho-viability-p1 set3 4 3.4611468 1.92042021 5.29907026 14.6756093 -10.74547975 14.90821448 16.37380283 -7.48881482 18.5546765 -5.94203525 4.25279861 17.80747511 -6.80991511 22.18348474 -15.75984477 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59865-13-3 5284373 170466812 F Cyclosporine A C[C@H](C\C=C\C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C)C(C)C Tox21_110667_1 -NCGC00178060-03 196725066 tox21-ror-cho-viability-p1 set3 1.2 13.3331902297 57.646511665 -5.128441581 52.518070084 3.9294729863 0.9669126451 8.45E-7 -7.63694185 -12.01801174 -4.29537885 -4.53112306 -7.56375893 -6.54784558 -7.01952023 0.02848345 -3.15605909 -1.20049654 1.26321917 -8.11861881 4.39664135 46.83750376 53.8454384 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3644-61-9 92965 170465769 A Tolperisone hydrochloride Cl.CC(CN1CCCCC1)C(=O)c2ccc(C)cc2 Tox21_111360_1 -NCGC00090776-02 196725474 tox21-ror-cho-viability-p1 set3 4 2.36760249 5.21101644 2.39578522 -0.81421408 -3.53149288 5.03809907 6.01908776 4.02104445 -1.33436035 -2.06976872 -0.00054672 1.629077 -3.50643029 -2.89397413 3.58321009 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00253691-01 196725475 tox21-ror-cho-viability-p1 set3 4 0 0 7.79505502 8.3578822 -15.90981659 -20.06372622 -21.45042956 -16.00267697 7.74102174 9.68532815 10.08724902 -14.98132358 10.62649395 9.38963172 8.11967243 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 114-91-0 66991 170466612 A Ac Metyridine COCCc1ccccn1 Tox21_113813 -NCGC00183021-01 196725478 tox21-ror-cho-viability-p1 set3 4 0.0118832183 -17.075733852 0 -17.075733852 4.9549173134 0.9415282888 0.0000450496 0 0 0 0 -12.4090713 -17.09090508 -15.50855098 -12.35244326 -18.55990688 -19.70710216 -15.53092396 -16.20599209 -20.47977821 -17.25026354 6.19203956 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 31224-92-7 9570475 144206861 A A Pifoxime O=C(COc1ccc(cc1)C(\C)=N\O)N2CCCCC2 Tox21_113310 -NCGC00015255-08 196725490 tox21-ror-cho-viability-p1 set3 4 3.13206251 -2.31296672 5.86425572 7.97686053 7.17096477 11.93209262 -3.95335333 -7.52129364 -2.72348201 14.29951939 -4.60247328 15.93385375 9.83010933 5.17550364 -1.10662508 5.899E-12 1.319E-11 2.949E-11 6.595E-11 1.475E-10 3.2969999999E-10 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 7424-00-2 4652 170466310 A Fenclonine Clc1ccc(CC(N)C(=O)O)cc1 Tox21_110114_1 -NCGC00168342-02 196725492 tox21-ror-cho-viability-p1 set3 4 6.075775472 -9.203800136 -2 -11.203800136 4.9549173134 0.5110812052 0.1857909293 -0.54228154 2.71510251 -12.25316678 -0.41746457 -4.00920502 -2.05275999 -2.91582977 -0.73326889 -0.98836218 -3.72054422 0.69801778 -11.39158637 -10.36077381 -10.58115343 -2.32444064 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00254013-01 196714517 tox21-ror-cho-viability-p1 set2 -2.1 57.1123250752 -93.584105808 -3.421802994 -97.005908802 2.4729283767 0.9774860841 9.4E-8 -3.8311246 -8.28729138 0.49227113 0.72870509 -1.03042435 -6.13726577 -2.80126718 -2.2250395 -5.89239957 -2.86735111 -4.03934095 -6.29428299 -12.43880581 -26.69151568 -73.48932485 1.115E-9 2.493E-9 5.574E-9 1.246E-8 2.7869999999E-8 6.2319999999E-8 1.394E-7 3.1159999999E-7 6.9679999999E-7 0.000001558 0.000003484 0.00000779 0.00001742 0.00003895 0.000087099999999 NOCAS_47353 60196404 144210556 A A SSR 241586 HCl Cl.O=C(N3CC(CCN1CCC(CC1)(C(=O)N(C)C)N2CCCCC2)(OCC3)c4ccc(Cl)c(Cl)c4)c5ccccc5 Tox21_300236 -NCGC00254492-01 196714510 tox21-ror-cho-viability-p1 set2 4 61.130564862 -9.233889196 0.5 -8.733889196 3.2974983358 0.4634010583 0.2154870967 0.62777087 -1.03769813 -1.48152725 -1.33837996 0.83478587 -0.00872611 7.05858063 0.0533048 0.00649685 1.64563698 -0.21825584 1.21944951 -1.72871416 -1.14013409 -6.86157433 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112529-15-4 60560 144210901 A A Pioglitazone hydrochloride Cl.CCc1ccc(nc1)CCOc3ccc(CC2SC(=O)NC2=O)cc3 Tox21_300584 -NCGC00254441-01 196714513 tox21-ror-cho-viability-p1 set2 4 0.05044876 0.27222431 2.32501134 0.05661355 0.34587818 0.77553445 -0.28514585 -0.28440817 3.40075458 1.50230945 0.94982882 0.78834323 2.04314538 0.93406759 0.14633309 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 72178-02-0 51556 144210836 A A Fomesafen Clc2cc(ccc2Oc1cc(C(=O)NS(C)(=O)=O)c(cc1)[N+]([O-])=O)C(F)(F)F Tox21_300518 -NCGC00254495-01 196714516 tox21-ror-cho-viability-p1 set2 4 21.6899429044 -11.026444392 4 -7.026444392 4.0949729863 0.6578289051 0.0599253747 1.42555434 0.42269759 5.86359623 0.3853683 1.59913459 6.02420964 9.56452505 5.60738119 6.81848521 5.792908 0.62581847 5.3629446 -0.63029491 -5.16037661 -7.93870366 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13311-84-7 3397 144210854 A A Flutamide O=C(Nc1cc(c(cc1)[N+]([O-])=O)C(F)(F)F)C(C)C Tox21_300536 -NCGC00254457-01 196714526 tox21-ror-cho-viability-p1 set2 4 1.16596834 0.33271434 2.44047705 2.1518973 -1.15201699 2.59966133 0.65452443 -0.62663847 1.86449093 4.10107873 -0.00183714 2.83973531 7.00244615 2.13649479 6.49748337 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81-81-2 54678486 144210849 A A Warfarin CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccccc3 Tox21_300531 -NCGC00090776-02 196714925 tox21-ror-cho-viability-p1 set2 4 -2.46484733 -3.04474442 -0.9105877 -9.83494556 -0.86165414 -1.76424578 -4.95185472 -4.01088887 -3.25330574 -0.21027895 -6.80920356 -3.690769 -11.0610896 -2.08188416 0.75227288 1.164E-9 2.6039999999E-9 5.822E-9 1.302E-8 2.911E-8 6.509E-8 1.4549999999E-7 3.255E-7 7.2769999999E-7 0.0000016269999999 0.000003639 0.000008136 0.00001819 0.00004068 0.000090969999999 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00091426-02 196714936 tox21-ror-cho-viability-p1 set2 4 -1.07858588 -9.19759122 -1.04271677 -4.60198415 -6.29033266 -6.5870039 -3.61625846 -5.00438468 -3.99106707 -6.40433643 -1.62859018 -1.87065632 -2.05424919 -0.69830054 -3.36141621 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00357169-01 196711619 tox21-ror-cho-viability-p1 set2 4 121.9715123619 21.46242774 1.53757226 23 0.4 0.5633701515 0.1255531927 2.05663113 3.58890658 0.5671762 4.04456114 -0.38535645 2.41323384 3.45737344 8.11502653 5.32465462 5.17671015 4.95154062 5.40446435 4.31074244 6.83102579 17.9525281 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65-71-4 1135 251919935 A Thymine CC1=CNC(=O)NC1=O Tox21_303929 -NCGC00260168-01 196711213 tox21-ror-cho-viability-p1 set2 4 0.0048409629 7.6641039961 0.3358960039 8 4.9549173134 0.5684675984 0.121967876 0.8665894 -0.13675333 5.95537474 8.97538311 8.02905603 8.67953731 9.57517453 10.1027733 7.98071091 5.33168213 4.27179273 8.92430394 3.84393656 9.41052048 13.53183483 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 359845-21-9 11674455 144209818 A 1-Butyl-3-methylimidazolium tetrachloroferrate (III) CCCCn1cc[n+](C)c1.Cl[Fe-](Cl)(Cl)Cl Tox21_202620 -NCGC00357186-01 196711224 tox21-ror-cho-viability-p1 set2 4 86.3492179916 24.520101572 1.479898428 26 0.3 0.6500741179 0.064404813 -0.01675131 0.58054898 4.3359287 2.79800519 5.2544069 2.76661153 5.45747052 7.0753561 10.37047497 7.68676321 6.61128548 5.46048232 6.91840911 10.48219254 20.12852388 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90325-47-6 2724429 251919988 A 1,2,3-Hexanetriol CCCC(O)C(O)CO Tox21_303952 -NCGC00091380-04 196711227 tox21-ror-cho-viability-p1 set2 4 0.88017143 0.9383957 -0.57577094 1.40181217 -1.03897963 2.7964973 3.76692372 4.59862463 7.39893696 2.27062605 5.86821752 5.72169114 0.82384028 -0.65101637 8.64280151 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00094521-05 196712047 tox21-ror-cho-viability-p1 set2 -3 15.3553036427 -55.6604233344 -0.692713026 -56.3531363604 2.2526478767 0.7111275839 0.051571609 4.23536029 0.72690367 1.55578709 1.94567758 2.91482374 -3.57332153 1.41666851 -2.76181284 0.83082712 -19.42327866 -3.9893597 -2.0335257 -42.69176997 -24.25096492 -3.21051622 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00357060-01 196711559 tox21-ror-cho-viability-p1 set2 -3 1.1883218301 -29.0031953152 -3.5 -32.5031953152 4.9549173134 0.9145049333 0.0020869206 -2.7604269 -5.96952196 -2.58368131 -3.01573155 -2.86834674 0.47163955 -5.31073317 -6.15990223 -4.58316128 -3.04282173 -33.85749512 -10.65800808 -7.85590153 -0.63676096 -10.82090671 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10022-28-3 61431 251919816 F 1,1-Dimethoxyoctane COC(CCCCCCC)OC Tox21_303766 -NCGC00255186-01 196711126 tox21-ror-cho-viability-p1 set2 4 -2.3919752 -2.35809101 -1.89432966 -4.12475389 -2.51952012 -2.5672811 1.15894742 -10.48509731 -0.08824493 -0.2596113 -1.21810402 0.22044444 0.47263113 -6.37490798 0.70490478 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 29387-86-8 3032854 144211622 F Propylene glycol monobutyl ether CCC(O)OCCCC Tox21_301305 -NCGC00257532-01 196711146 tox21-ror-cho-viability-p1 set2 4 0.2057306958 3.9391224239 -1.4391224239 2.5 4.9549173134 0.4675557748 0.2281548754 -5.78260202 0.58859174 0.0129437 -0.41537098 -0.08484561 -2.16619324 -2.27053765 1.84217415 2.66955166 2.40838693 1.49722876 1.50647396 7.78512301 0.20326866 -5.18242409 9.3199999999E-10 2.084E-9 4.66E-9 1.042E-8 2.33E-8 5.2099999999E-8 1.165E-7 2.605E-7 5.825E-7 0.000001302 0.000002912 0.000006512 0.00001456 0.00003256 0.00007281 831-82-3 13254 144212507 A A 4-Phenoxyphenol Oc2ccc(Oc1ccccc1)cc2 Tox21_302190 -NCGC00356985-01 196711542 tox21-ror-cho-viability-p1 set2 2.4 14.575039053 25.9823871001 1.5176128999 27.5 4.5044702849 0.9317802297 0.0000452143 -0.40198925 0.91922074 1.39578322 0.28768398 0.44695485 0.51904836 3.3064481 1.56491086 2.092512 1.7409999 2.73622087 6.35676494 1.69487408 5.84511641 24.67812604 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 67762-27-0 15076 251919695 A Alcohols, C16-18 CCCCCCCCCCCCCCCCCO Tox21_303960 -NCGC00356983-01 196711561 tox21-ror-cho-viability-p1 set2 4 10.8707224818 -14.5011712919 0.5 -14.0011712919 3.9294729863 0.4151568702 0.2738769428 -1.22662651 3.2239037 -1.2449489 -1.71429462 -0.49293406 -1.34772461 1.63318393 1.1802968 -0.28931413 -0.16074391 0.57468506 2.75251253 -28.33430941 -1.93139186 7.68595757 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6842-15-5 22833307 251919692 Fns 1-Propene, tetramer C\C=C\C\C=C\C/C=C/CC=C Tox21_303865 -NCGC00260528-01 196711958 tox21-ror-cho-viability-p1 set2 4 0.38825719 1.78278029 0.79625236 4.89426359 -2.35295037 3.15907125 -0.0550265 4.13610596 2.64797299 -0.04256036 0.02291368 4.39004437 1.37529648 4.98215845 10.33875123 1.182E-9 2.6429999999E-9 5.91E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.304E-7 7.387E-7 0.0000016519999999 0.000003693 0.000008259 0.000018469999999 0.00004129 0.00009234 13674-84-5 26176 144210180 A B Tris(2-chloroisopropyl)phosphate ClCC(C)OP(=O)(OC(C)CCl)OC(C)CCl Tox21_202982 -NCGC00260545-01 196711981 tox21-ror-cho-viability-p1 set2 4 5.4815278731 -36.882774708 6 -30.882774708 0.2 0.4070193969 0.2646137982 3.02422831 1.47866273 0.65106216 -1.23744283 -12.78287555 -0.87294932 -2.3113684 -12.19036861 -8.08405971 -25.6389541 -0.44848418 -12.84387203 0 -20.7714832 -25.73564559 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003708 0.000008291 0.00001854 0.00004145 0.00009269 538-75-0 10868 144210198 A F Dicyclohexylcarbodiimide N(=C=N\C1CCCCC1)\C2CCCCC2 Tox21_203000 -NCGC00357106-01 196712373 tox21-ror-cho-viability-p1 set2 4 30.6378586933 -20.3468728079 -1 -21.3468728079 4.9549173134 0.6257634098 0.0922466679 -1.68718154 -1.60802791 -0.76779044 0.71094239 -0.30962999 -0.18034585 0.30178518 -1.41931242 -1.61702276 6.37365989 -11.4763597 -1.24862008 0.5349051 -19.45572734 0.70347536 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3277-26-7 6327482 251919896 Fns 1,1,3,3-Tetramethyldisiloxane C[SiH](C)O[SiH](C)C Tox21_303833 -NCGC00255414-01 196710326 tox21-ror-cho-viability-p1 set2 4 -5.46063962 -0.8256374 0.51193343 0.09388839 -0.38681008 1.08231628 0.00460409 0.43431146 1.04471511 0.94694535 -0.42241695 -0.19137899 0.6049322 0.00805573 -0.10198062 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-52-9 7337 144212445 A A 2-Methoxy-4-nitroaniline Nc1ccc(cc1OC)[N+]([O-])=O Tox21_302128 -NCGC00255814-01 196709914 tox21-ror-cho-viability-p1 set2 4 -1.27700164 0.65272688 0.34592075 0.10632758 -0.47517554 0.37301778 -0.77277844 -0.20393514 -0.86541343 -1.25531603 -0.24198565 0.04890813 -0.88905407 -0.29328305 -1.06715339 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-56-1 7149 144212357 A A Styrene glycol OC(CO)c1ccccc1 Tox21_302040 -NCGC00255668-01 196709915 tox21-ror-cho-viability-p1 set2 4 -2.56814526 -1.34451726 0.5908203 -0.01019991 -0.64502124 0.14526586 -3.64574819 -0.29489356 -0.31252295 -0.85442036 -0.59598092 -3.48733756 1.26472264 -2.35356102 1.20004104 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76-49-3 442460 144212050 A Ac Bornyl acetate CC(=O)O[C@@H]1CC2CCC1(C)C2(C)C Tox21_301733 -NCGC00091080-03 196709924 tox21-ror-cho-viability-p1 set2 4 3.12058269 1.54210404 0.70159528 -0.15686419 3.47978471 0.77766621 -1.67370464 -2.01756191 -2.31250832 0.80789672 -3.36514329 0.36159187 -1.9072235 -1.48314854 2.98263227 1.121E-9 2.506E-9 5.6039999999E-9 1.2529999999E-8 2.802E-8 6.265E-8 1.401E-7 3.133E-7 7.005E-7 0.000001566 0.0000035019999999 0.000007831 0.00001751 0.00003916 0.00008756 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00256036-01 196710339 tox21-ror-cho-viability-p1 set2 4 -2.66025072 -3.72959176 -5.20743673 0.72836445 -4.19987383 -4.49866528 -4.76110169 0.72709309 -0.11744415 -2.31075532 -4.78364762 -3.6770829 0.74703434 -2.53562019 0.94894526 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 36177-92-1 118285 144212062 A Ac N-Butyl-2,2,6,6-tetramethylpiperidin-4-amine CC1(C)CC(NCCCC)CC(C)(C)N1 Tox21_301745 -NCGC00253655-01 196722997 tox21-ror-cho-viability-p1 set3 4 2.74031004 -0.17238138 3.49901293 -0.37123303 0.20354384 6.02647942 3.45177409 6.87140618 -3.46347526 0.01640438 5.14277309 0.09080279 3.69664004 -3.54301224 0.55381605 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21440-97-1 30630 170466282 A A Brofoxine Brc1ccc2NC(=O)OC(C)(C)c2c1 Tox21_113781 -NCGC00027930-07 196722580 tox21-ror-cho-viability-p1 set3 4 0.0749780386 9.4557633679 -3.9557633679 5.5 1.0999999999 0.4697477582 0.2060778396 -12.46313614 2.63279396 2.55632478 -11.00725232 0 0 0 -0.46110155 7.64396153 5.729191 7.78768657 5.2373544 2.97007176 2.01936801 8.45269616 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71320-77-9 4235 170465663 A Moclobemide Clc1ccc(cc1)C(=O)NCCN2CCOCC2 Tox21_110971_1 -NCGC00262951-01 196722581 tox21-ror-cho-viability-p1 set3 4 1.09195119 0.79488646 -2.25039525 -1.79576482 1.61528347 -1.62557965 1.23721859 -0.78952772 -0.04470298 14.818648 -6.82390561 2.19149513 -6.49948329 -2.52158594 3.31761474 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1609-66-1 259381 170466676 A A Norfentanyl O=C(CC)N(C1CCNCC1)c2ccccc2 Tox21_113943 -NCGC00179582-03 196722981 tox21-ror-cho-viability-p1 set3 4 5.17715775 24.54478853 -2.80559208 5.19522823 -3.78010769 7.61955104 3.7040248 2.84666396 5.57525077 2.79462251 1.38795055 1.22387454 -0.17747341 1.32366561 20.70882281 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 37661-08-8 441398 170465170 A Bacampicillin hydrochloride Cl.N[C@H](c1ccccc1)C(=O)N[C@@H]3C(=O)N2[C@@H](C(=O)OC(C)OC(=O)OCC)C(C)(C)S[C@@H]23 Tox21_110640_1 -NCGC00016221-06 196723002 tox21-ror-cho-viability-p1 set3 4 0.5955717307 14.5346143599 -2.5346143599 12 4.9549173134 0.5847833341 0.1079082174 5.29215097 5.90861032 -11.05509714 -1.97353942 -12.5288453 0 -9.55666285 5.15280294 -4.17803774 12.35631101 12.54792699 9.30986693 7.69718744 9.77396199 19.23298778 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-42-0 5763 170466520 A Adiphenine hydrochloride Cl.CCN(CC)CCOC(=O)C(c1ccccc1)c2ccccc2 Tox21_111379_1 -NCGC00092329-06 196723394 tox21-ror-cho-viability-p1 set3 4 6.6824247267 -13.0804013879 -1 -14.0804013879 4.9549173134 0.8744694025 0.0009882073 -4.35515948 -2.10679869 -0.54961132 -5.08777646 0.74975425 -2.31882378 0.87589238 -1.23978902 2.15780389 -1.20366147 -0.81387909 -0.63727831 -12.30244548 -13.2189399 -14.65033449 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 119431-25-3 60703 170466155 A Eliprodil OC(CN1CCC(CC1)Cc2ccc(F)cc2)c3ccc(Cl)cc3 Tox21_111194_1 -NCGC00356946-01 196723842 tox21-ror-cho-viability-p1 set3 1.1 1.4960085492 123.3875098307 -1.1212399988 122.2662698319 1.9673362061 0.9839621049 1.32E-8 1.311658 3.47837105 -0.20566219 2.10052842 -5.65808562 -6.98441482 0.51718256 4.12083811 3.57491485 27.99028453 61.5250624 125.01663582 123.6515576 117.36510037 114.66349988 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98105-99-8 56208 251919829 A Sarafloxacin Fc1ccc(cc1)N2C=C(C(=O)O)C(=O)c3cc(F)c(cc23)N4CCNCC4 Tox21_303838 -NCGC00016825-06 196723429 tox21-ror-cho-viability-p1 set3 4 0.1496008549 15.4982423039 -5.4982423039 10 1.6604358099 0.7892912515 0.0098813716 -4.62666222 -3.07526466 -4.04631782 -6.16956425 -14.16520192 0 0 0 8.97507609 10.08990569 12.48905365 7.63062682 6.95973267 6.1003285 15.9830007 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 34161-23-4 161803 170466461 A Fipexide hydrochloride Cl.Clc1ccc(cc1)OCC(=O)N2CCN(CC2)Cc3ccc4OCOc4c3 Tox21_111394_1 -NCGC00160527-03 196723434 tox21-ror-cho-viability-p1 set3 4 2.9849294812 -16.0642757759 0.5 -15.5642757759 0.6999999999 0.7493014678 0.0256985013 1.63254362 -1.88692176 2.32517743 1.50055676 -2.75076031 2.4470492 -2.19489121 -4.85940315 0.64777336 -6.22058972 -2.19080244 -10.01173441 -13.38689648 -10.46223541 -3.92415101 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112885-42-4 119583 170466008 A Mosapride citrate O=C(O)C(O)(CC(=O)O)CC(=O)O.Clc1cc(c(OCC)cc1N)C(=O)NCC3CN(Cc2ccc(F)cc2)CCO3 Tox21_111874_1 -NCGC00357168-01 196723836 tox21-ror-cho-viability-p1 set3 4 3.0637858693 -6.111223292 1 -5.111223292 1.1340999999 0.3406893527 0.3466517407 -2.96470043 2.44797551 -2.12590319 2.211049 5.24629601 -3.06820525 6.69875292 -1.08020852 0.83954348 -2.87156013 -2.28533773 -0.87950568 -7.17601941 -3.78598818 2.13039266 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19721-22-3 88211 251919883 A 3-Mercapto-1-propanol OCCCS Tox21_303927 -NCGC00260618-01 196723852 tox21-ror-cho-viability-p1 set3 4 0.0237101377 3.5079874559 -0.5079874559 3 4.9549173134 0.3178667783 0.3548169971 0.79614136 -0.07784979 -4.17332288 1.3075566 -0.81599359 3.10496385 2.64067408 -0.05367871 3.1082964 5.07511983 3.77229463 -2.39772625 6.26895921 1.174194 5.58051781 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49514 144210271 M M NTP Mix118 ER1 5-EQP Tox21_203073 -NCGC00260608-01 196723853 tox21-ror-cho-viability-p1 set3 4 0.0530803864 10.3626844039 -6.3626844039 4 1.0999999999 0.5981279838 0.0985485115 1.3190162 -10.71890367 -8.84167108 -7.38404973 0.03490348 -5.14738932 0.83987072 2.79629588 0.94036775 1.10637231 6.01095416 6.35301285 -1.05769952 5.95344156 4.55797941 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49504 144210261 M M NTP Mix11 AR1 8-EQP Tox21_203063 -NCGC00260268-01 196723855 tox21-ror-cho-viability-p1 set3 4 -4.48694868 2.07117979 0.29677062 0.16748828 1.56125469 4.98054292 4.73394289 1.02673612 0.99299272 3.93938253 0.94800483 1.53342257 -0.0432078 -1.07431516 -1.29673429 1.2949999999E-9 2.895E-9 6.4729999999E-9 1.448E-8 3.237E-8 7.2379999999E-8 1.6179999999E-7 3.619E-7 8.092E-7 0.000001809 0.000004046 0.000009047 0.00002023 0.000045229999999 0.00010109999999 1118-71-4 70700 144209918 Ac F Dipivaloylmethane CC(C)(C)C(=O)CC(=O)C(C)(C)C Tox21_202720 -NCGC00257164-01 196727157 tox21-ror-cho-viability-p1 set3 4 -1.28515317 2.53626414 2.47417585 0.9783051 1.58786137 0.11475133 -0.91960456 3.27653347 1.19680377 1.75081427 2.67268251 2.16004221 2.57943291 -0.7582336 -1.13902509 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 77-86-1 6503 144213484 Z A Tromethamine OCC(N)(CO)CO Tox21_303167 -NCGC00257291-01 196726746 tox21-ror-cho-viability-p1 set3 4 0 -0.81930749 0 -3.46065234 -2.83954455 -0.83100528 -0.95019036 -5.4841631 -0.49135699 0 0 0 0.48820267 2.75809461 -3.25863528 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.397E-7 7.5949999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004246 0.00009494 138-86-3 22311 144213720 A Fns Limonene CC1=CCC(CC1)C(C)=C Tox21_303409 -NCGC00256455-01 196727158 tox21-ror-cho-viability-p1 set3 4 2.61473308 0.7486552 -5.35563715 0.65800671 -0.48897822 0.53183521 4.53250993 2.08209333 0.50429567 5.83830408 4.92686449 -0.33963864 0.35505001 5.61002371 2.53551427 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 513-37-1 10555 144213175 Fns 2,2-Dimethylvinyl chloride C/C(C)=C\Cl Tox21_302858 -NCGC00260147-01 196724323 tox21-ror-cho-viability-p1 set3 4 76.0987307785 14.204677624 -0.204677624 14 4.9549173134 0.3516412342 0.3191110498 3.35746336 -7.25389802 3.39997256 7.81546776 4.15092308 -1.63365687 -4.63421169 -4.69078831 1.41508318 1.04013386 -1.74867029 0.51535684 -2.10574354 -2.53901676 11.35844038 1.1689999999E-9 2.615E-9 5.8469999999E-9 1.3069999999E-8 2.9239999999E-8 6.537E-8 1.462E-7 3.269E-7 7.309E-7 0.0000016339999999 0.0000036549999999 0.000008172 0.00001827 0.00004086 0.000091359999999 7772-99-8 5284466 144209797 Tin(II) chloride [Sn+2].[Cl-].[Cl-] Tox21_202599 -NCGC00260461-01 196724311 tox21-ror-cho-viability-p1 set3 4 0.017158874 -4.637536624 5 0.362463376 4.9549173134 0.3353772768 0.3367160698 2.48348633 5.34038885 3.80798142 8.15550708 -6.78128052 -1.20199016 -0.30331489 -0.68496926 1.12922741 0.50366627 2.16488946 2.31099957 -0.45117738 4.36722926 1.19845685 1.1759999999E-9 2.631E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.576E-8 1.471E-7 3.288E-7 7.3529999999E-7 0.0000016439999999 0.000003676 0.00000822 0.000018379999999 0.0000411 0.000091909999999 367-12-4 9707 144210113 Z A 2-Fluorophenol Fc1ccccc1O Tox21_202915 -NCGC00259341-01 196724723 tox21-ror-cho-viability-p1 set3 4 48.2616000528 -16.29093794 -1.5 -17.79093794 2.2526478767 0.4205931335 0.2524552585 -14.0525629 1.27919126 -6.9954336 -3.28518052 -0.95134671 -0.69957342 4.48048497 0.80378192 2.20226265 0.04075176 0.03383232 1.05175918 -2.60762707 -8.81990887 -14.40911495 1.1739999999E-9 2.626E-9 5.871E-9 1.3129999999E-8 2.9349999999E-8 6.564E-8 1.468E-7 3.282E-7 7.339E-7 0.000001641 0.000003669 0.000008205 0.00001835 0.00004102 0.00009173 57-83-0 5994 144208990 A A Progesterone CC(=O)[C@H]2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_201792 -NCGC00258539-01 196724720 tox21-ror-cho-viability-p1 set3 4 21.9107051025 -17.0542944119 0.5 -16.5542944119 4.9549173134 0.7765968827 0.0125611933 -0.73906917 -0.47068344 -5.35334795 -0.11519491 3.13228676 3.64293439 -0.44451224 0.83859211 5.4692036 -4.29945739 -0.35979031 2.79148571 -4.74249131 -19.21191201 -12.9262485 1.19E-9 2.661E-9 5.95E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003719 0.000008315 0.00001859 0.00004158 0.00009297 117-10-2 2950 144208184 A A Danthron Oc3cccc2C(=O)c1cccc(O)c1C(=O)c23 Tox21_200986 -NCGC00357039-01 196724722 tox21-ror-cho-viability-p1 set3 4 4.3277125691 13.8102532319 -5.8102532319 8 0.3 0.4313465356 0.2428812606 -9.00854436 1.31818935 -8.03948136 -5.53158933 3.55852388 -1.9390239 -5.41867636 -1.03552968 -2.24813384 4.29365241 -3.26307147 1.69191486 2.2972992 3.35971818 5.51542193 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-32-1 7799 251919845 Ac Ethyl octanoate O=C(CCCCCCC)OCC Tox21_303730 -NCGC00259311-01 196724734 tox21-ror-cho-viability-p1 set3 -1.1 4.8310934687 -81.5918739808 -5.022842707 -86.6147166878 1.4641 0.9819468142 2.62E-8 -7.62399389 -10.05145605 -0.76057354 -12.09156328 5.80862523 -6.81415048 -4.33965606 -2.17609678 -11.79813919 -18.00869631 -41.0493225 -58.46408946 -78.19252598 -84.11696479 -84.41980184 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.938E-8 6.568E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.000041049999999 0.0000918 548-62-9 11057 144208960 A A Gentian Violet [Cl-].C/[N+](C)=C1\C=C\C(C=C1)=C(/c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C Tox21_201762 -NCGC00091210-02 196724738 tox21-ror-cho-viability-p1 set3 4 0.0019331182 18.6341005 -16.6341005 2 4.5044702849 0.6739582549 0.0613066827 -14.69508375 -1.78755823 3.30323253 -6.02857009 3.36264282 -0.81586851 1.85325733 0.91392797 1.47264588 2.53066755 8.76498227 2.21736087 1.72109985 2.27245068 -9.78447654 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00260580-01 196724739 tox21-ror-cho-viability-p1 set3 4 -3.4439954 -4.13191524 -7.19109101 -5.99536777 -2.8127539 0.49277296 -1.48177278 0.95158253 1.98996972 -2.17125834 0.39217948 1.65504936 -1.58576785 -0.22354367 0.39915575 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49476 144210233 M M NTP Mix40 CT1 3-EQP Tox21_203035 -NCGC00258511-01 196716189 tox21-ror-cho-viability-p1 set2 4 75.0064102751 -13.466733992 -2 -15.466733992 4.9549173134 0.8262081162 0.004507779 -2.45897886 -2.0261328 -0.72651361 -2.49649041 -0.99870228 -1.05834755 -4.51208607 -2.84165658 -1.82131095 -3.01525211 -0.45118033 0.01879386 -2.19968442 -1.3492503 -12.05561166 1.155E-9 2.5839999999E-9 5.7769999999E-9 1.292E-8 2.889E-8 6.459E-8 1.444E-7 3.23E-7 7.2219999999E-7 0.000001615 0.000003611 0.000008074 0.000018049999999 0.000040369999999 0.000090269999999 3586-14-9 19165 144208156 A A 1-Methyl-3-phenoxybenzene Cc2cc(Oc1ccccc1)ccc2 Tox21_200958 -NCGC00258307-01 196716190 tox21-ror-cho-viability-p1 set2 4 1.54532476 -0.69260278 3.53802245 0.8125664 4.50264708 1.72793159 0.98477647 -1.33999398 0.64831808 0.87471172 2.68579833 6.73845809 3.8289837 3.57679237 1.77020289 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004124 0.00009223 105-30-6 7745 144207951 A A 2-Methyl-1-pentanol CC(CCC)CO Tox21_200753 -NCGC00258485-01 196716587 tox21-ror-cho-viability-p1 set2 -2.2 55.0372028519 -54.583107872 -1.257391974 -55.840499846 3.9294729863 0.9519697367 0.0000067503 -3.70569784 1.66080582 0.37132518 -5.23199618 -3.79399988 -1.32081688 2.69475319 1.14181767 -4.16960789 -6.6276477 -0.10136997 -1.90171439 1.77975791 -14.97575219 -49.87916655 1.19E-9 2.6619999999E-9 5.951E-9 1.331E-8 2.976E-8 6.654E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.00000372 0.000008317 0.0000186 0.00004159 0.000092989999999 591-35-5 11571 144208129 A A 3,5-Dichlorophenol Oc1cc(Cl)cc(Cl)c1 Tox21_200931 -NCGC00258761-01 196716593 tox21-ror-cho-viability-p1 set2 3 79.3126470052 107.8809934349 -8.5276890803 99.3533043546 4.9549173134 0.6399813607 0.0698811692 0.65708612 1.08459446 0.13941221 0.65590756 0.37954235 -1.79128348 -0.41937109 -1.97868772 -0.297003 -3.17783109 -7.80964478 -15.72076764 -42.38582643 -45.63965978 79.3330501 1.21E-9 2.7049999999E-9 6.0499999999E-9 1.353E-8 3.0249999999E-8 6.764E-8 1.512E-7 3.382E-7 7.562E-7 0.000001691 0.000003781 0.000008455 0.00001891 0.00004227 0.000094529999999 77439-76-0 53665 144208407 A A 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone ClC=1C(=O)OC(O)C=1C(Cl)Cl Tox21_201209 -NCGC00159324-04 196713298 tox21-ror-cho-viability-p1 set2 4 1.31022146 1.06622441 2.03407003 -0.82114802 2.69148111 -0.24270483 0.44718916 -1.02620518 1.54044022 -0.45032432 0.2072696 0.1631781 1.66743353 0.74167719 1.07507074 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118-60-5 8364 170465498 F 2-Ethylhexyl salicylate Oc1ccccc1C(=O)OCC(CC)CCCC Tox21_111573_1 -NCGC00159524-02 196713289 tox21-ror-cho-viability-p1 set2 4 0.67421038 -0.75501037 -0.49984724 0.39849473 -0.27936097 -1.50590591 1.00418659 -5.03092971 -0.20376626 -4.78122767 -0.28496274 1.37865013 0.04267051 0.56967731 4.29627235 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71-73-8 23665410 170464734 A Thiopental sodium [Na+].O=C1NC([S-])=NC(=O)C1(CC)C(C)CCC Tox21_111741_1 -NCGC00015675-08 196713293 tox21-ror-cho-viability-p1 set2 4 1.62579386 -1.93868357 -4.1040917 -1.63553854 2.33929719 -3.07135972 -1.83133752 -3.15520668 -2.97925454 -1.565798 -2.20093884 -5.33787856 -3.74228488 -3.24261584 -2.39815881 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00094989-04 196713294 tox21-ror-cho-viability-p1 set2 4 -3.91637405 -3.45949212 0.50444271 -4.52880212 0.37045393 -5.90994597 0.38282718 0.34195991 0.81187282 -3.28464046 0.30704484 3.77289251 1.38737323 2.67102338 1.53815369 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4940-39-0 2741 170466383 A Chromocarb O=C(O)C1=CC(=O)c2ccccc2O1 Tox21_111376_1 -NCGC00025315-02 196713304 tox21-ror-cho-viability-p1 set2 4 0.26603212 -5.8940807279 0 -5.8940807279 0.6 0.3129849724 0.3729961422 1.33729246 -4.65949395 3.51853263 0.69263654 -2.2946878 -4.81605667 -0.70559061 -3.73683659 0.21738603 -1.72386009 -8.66173394 -4.54240325 -8.02402904 -2.20035252 -0.15954977 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 95847-70-4 56971 170466380 A Ipsapirone O=C4c1ccccc1S(=O)(=O)N4CCCCN2CCN(CC2)c3ncccn3 Tox21_110962_1 -NCGC00160648-02 196713707 tox21-ror-cho-viability-p1 set2 1.4 10.5909294584 21.626455396 0.373544604 22 1.8851180601 0.9842623612 1.19E-8 0.98300661 -0.93871283 0.31985015 1.11986725 0.98748937 -0.17452834 0.88089216 1.98635215 -0.11019967 0.1360652 2.1300393 2.45581002 10.7740548 16.97678662 20.48303762 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 495-84-1 5371318 170466458 A Salinazid O=C(N/N=C/c1ccccc1O)c2ccncc2 Tox21_111955_1 -NCGC00163778-09 196713713 tox21-ror-cho-viability-p1 set2 4 14.9600854925 11.947920096 1.052079904 13 2.7202212143 0.8063623412 0.0070417492 1.73225046 3.07918507 0.8815363 -2.45660008 1.87750482 2.73205463 2.43812635 0.6605075 2.38390587 0.52848036 -1.57230052 1.68390734 0.24512156 11.2316863 12.58451786 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58594-72-2 173636 170466809 A Imazalil sulfate O=S(=O)(O)O.Clc2ccc(C(OCC=C)Cn1ccnc1)c(Cl)c2 Tox21_112071_1 -NCGC00344572-01 196713716 tox21-ror-cho-viability-p1 set2 4 -2.1139514 -0.4409729 -2.45059734 -2.93668981 -3.14639142 -2.01710789 0.18346271 0.26961122 1.84693188 0.27628311 0.57016879 -0.15572392 -0.58660937 2.78730385 1.67454317 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52508-35-7 23667639 170466133 Ac Dikegulac sodium [Na+].[O-]C(=O)[C@]23O[C@H]1COC(C)(C)O[C@H]1[C@@H]3OC(C)(C)O2 Tox21_112391_1 -NCGC00254121-01 196714117 tox21-ror-cho-viability-p1 set2 4 2.20356076 0.11659396 -2.13805105 -1.56240037 3.91401649 -2.06814994 2.44809198 -2.35973491 3.44000661 -2.26601345 1.77686167 3.65909007 1.19453851 -0.2302944 8.38304187 1.032E-9 2.308E-9 5.161E-9 1.154E-8 2.5809999999E-8 5.77E-8 1.29E-7 2.8849999999E-7 6.452E-7 0.000001443 0.0000032259999999 0.0000072129999999 0.00001613 0.00003607 0.00008065 140-64-7 8813 144210632 A A Pentamidine isethionate OCCS(=O)(=O)O.OCCS(=O)(=O)O.N=C(N)c1ccc(cc1)OCCCCCOc2ccc(cc2)C(=N)N Tox21_300312 -NCGC00254665-01 196714056 tox21-ror-cho-viability-p1 set2 -2.4 61.130564862 -36.363006072 0.5 -35.863006072 3.6272481694 0.9696633417 5.199E-7 0.14081454 -2.85612158 0.70035856 0.36711072 1.27340013 2.4743632 -0.25635868 0.43454581 3.36550505 0.12495736 1.54976945 0.28509353 -0.20542446 -6.23456078 -29.05250506 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85509-19-9 73675 144211078 A A Flusilazole C[Si](Cn1cncn1)(c2ccc(F)cc2)c3ccc(F)cc3 Tox21_300761 -NCGC00181910-01 196713221 tox21-ror-cho-viability-p1 set2 4 0.0668242473 -4.679994444 3.5 -1.179994444 4.9549173134 0.3735781158 0.2991873453 1.24284572 7.04100648 0.12902428 7.49881087 -2.15229401 6.9107852 0.09436765 -1.78081478 -1.49652467 -2.16601981 -0.14726265 0.21407989 1.15692248 0.27573558 -6.39999537 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25439-20-7 32995 144206886 A A N,N-Dimethyl-2-(2-phenylacetamido)acetamide O=C(Cc1ccccc1)NCC(=O)N(C)C Tox21_113335 -NCGC00254973-01 196714041 tox21-ror-cho-viability-p1 set2 -2.1 27.3060203028 -91.3190134696 1.693630489 -89.6253829806 1.4780888099 0.941281401 0.0000201059 0.08440949 -0.76016092 -0.60112816 -0.52692105 2.85248042 5.19567258 1.77330831 0.0977344 3.07369596 -0.22535917 -2.69579005 -8.79444427 -40.07769903 -40.50857689 -87.86802253 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21564-17-0 30692 144211389 A A 2-(Thiocyanomethylthio)benzothiazole N#CSCSc1nc2ccccc2s1 Tox21_301072 -NCGC00091602-02 196714053 tox21-ror-cho-viability-p1 set2 4 -1.6757932 0.44699481 3.88294035 0.59208115 -0.61368764 3.05177862 1.15794557 -0.45369383 0.40869032 2.87089774 2.21114542 2.80082055 1.10241976 -2.55473473 4.74034206 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00254985-01 196714061 tox21-ror-cho-viability-p1 set2 4 0.22801873 -0.37186476 2.61061336 1.09153597 0.64475126 1.78358244 3.9693254 0.92872706 0.98729153 -0.4072672 1.1335481 6.68356704 4.00190466 6.65609605 2.71744449 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-95-7 517827 144211401 C 2-Methyl-3-[4-(propan-2-yl)phenyl]propanal CC(C)c1ccc(CC(C)C=O)cc1 Tox21_301084 -NCGC00357190-01 196711585 tox21-ror-cho-viability-p1 set2 -1.1 1.2197151236 -92.2166459506 4.54229693 -87.6743490206 3.0654483358 0.9695380784 5.288E-7 4.15517804 1.69346381 2.72877351 1.68395912 2.0113166 1.49910638 5.02415183 6.05888432 6.55057586 -81.90573685 -85.54394744 -88.02645484 -85.24996068 -84.65701255 -81.46306791 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 329-89-5 9500 251919836 A 6-Aminonicotinamide O=C(N)c1cnc(N)cc1 Tox21_303956 -NCGC00357156-01 196711572 tox21-ror-cho-viability-p1 set2 4 4.3277125691 14 1 15 0.3 0.7143753179 0.0406491399 1.71848959 2.89532203 1.33748447 5.08459034 0.19781866 3.81849125 6.08844164 8.43568331 6.98099808 4.56388414 7.78760912 6.47709429 9.99839551 11.8456897 5.22405579 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-56-7 7244 251919975 A 2-Bromophenol Oc1ccccc1Br Tox21_303903 -NCGC00260489-01 196711573 tox21-ror-cho-viability-p1 set2 4 31.1995393382 24.864119524 1.135880476 26 0.4 0.502736483 0.175921995 5.09926431 -1.95085615 4.11593792 5.59452998 2.43825376 -12.38676627 7.66013417 7.98092639 9.06072278 9.3108435 7.85097532 6.907261 10.5300626 13.91157275 18.9633195 1.198E-9 2.68E-9 5.992E-9 1.34E-8 2.996E-8 6.7E-8 1.4979999999E-7 3.35E-7 7.491E-7 0.000001675 0.000003745 0.000008375 0.00001873 0.00004187 0.00009363 7364-25-2 81829 144210141 A A 3-Indazolinone O=C1NNc2ccccc12 Tox21_202943 -NCGC00091146-04 196711580 tox21-ror-cho-viability-p1 set2 4 -7.75462653 -5.69327809 -11.62640116 -11.34403349 -6.05338973 -9.77798532 -0.12549009 -10.32510425 -12.81593188 -5.30639784 -18.89930925 -17.64431563 -45.35031013 -7.62468568 -0.47659739 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00260245-01 196711586 tox21-ror-cho-viability-p1 set2 4 97.1810738268 15.5 2.5 18 0.3 0.45012441 0.2265368277 3.07044571 1.73624316 4.83475047 3.35637774 3.6689838 2.83770022 4.87145223 6.22849714 8.25184387 6.97103751 7.50585076 2.71804207 3.97361952 14.75973182 9.63646732 1.183E-9 2.644E-9 5.913E-9 1.322E-8 2.9569999999E-8 6.611E-8 1.4779999999E-7 3.306E-7 7.3909999999E-7 0.0000016529999999 0.000003696 0.0000082639999999 0.00001848 0.00004132 0.00009239 872-90-2 12038941 144209895 A A 1-Ethylpyridinium iodide [I-].CC[n+]1ccccc1 Tox21_202697 -NCGC00260394-01 196711983 tox21-ror-cho-viability-p1 set2 2.4 71.8808948945 32.2171837481 0.2828162519 32.5 4.9549173134 0.9029349697 0.0002787163 -2.24439187 -1.30985729 0.3340608 1.34023296 0.05466623 -1.0947467 0.05386445 0.5564391 -0.18661782 -0.69925961 0.83249691 -2.26431979 7.17949176 1.31362436 26.41914862 1.227E-9 2.743E-9 6.133E-9 1.371E-8 3.066E-8 6.857E-8 1.5329999999E-7 3.4279999999E-7 7.6659999999E-7 0.0000017139999999 0.000003833 0.000008571 0.00001916 0.00004285 0.000095819999999 562-49-2 11229 144210046 Fns Pentane,3,3-dimethyl- CC(C)(CC)CC Tox21_202848 -NCGC00260364-01 196711995 tox21-ror-cho-viability-p1 set2 4 -11.94845991 -9.14158094 -9.4338715 -5.13307598 -5.54836621 -14.50669302 -9.39913745 -2.97613859 0 -10.65227086 -18.76227305 -14.725679 0 -1.83485773 -6.30914215 1.198E-9 2.6779999999E-9 5.988E-9 1.339E-8 2.994E-8 6.6949999999E-8 1.497E-7 3.347E-7 7.485E-7 0.0000016739999999 0.000003742 0.000008368 0.00001871 0.00004184 0.000093559999999 27072-45-3 18730 144210016 F F Fluorescein 5(6)-isothiocyanate Oc4cc5Oc1cc(O)ccc1C3(OC(=O)c2cc(\N=C=S)ccc23)c5cc4 Tox21_202818 -NCGC00091284-03 196698495 tox21-ror-cho-viability-p1 set1 4 -3.21141984 0.90686072 4.1378834 0.63597796 5.07274916 0.4248691 -4.51954843 1.29593791 -0.2762118 1.94187273 -0.52213859 -0.43003456 -0.09433033 1.21038348 0.24722465 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00018221-10 196698095 tox21-ror-cho-viability-p1 set1 4 1.88766676 4.75072875 2.80026499 6.5639723 2.55240911 1.6825023 3.82686475 3.19945744 0.59263406 1.78914573 -1.02417943 1.78998509 1.70988369 0.93265458 0.76134052 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 132-60-5 8593 170466318 A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_110841_1 -NCGC00262953-01 196698491 tox21-ror-cho-viability-p1 set1 4 0.7497803863 -9.8771823079 -1 -10.8771823079 4.9549173134 0.8869559151 0.0005963709 0.74164335 -0.81337417 -2.29920025 -0.32672965 -2.07456643 -0.72248413 -1.28046202 -0.22109731 -0.77278782 -7.07365745 -12.44780915 -11.14121596 -8.03166394 -15.31431859 -8.52169687 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 31431-43-3 35803 170466492 A A Cyclobendazole O=C(OC)Nc1nc2cc(ccc2n1)C(=O)C3CC3 Tox21_113945 -NCGC00178864-03 196698492 tox21-ror-cho-viability-p1 set1 4 -2.49094491 3.20197743 -0.87067809 -0.04394088 3.16087021 -0.8799255 0.21943565 -4.50511511 -4.66643407 -0.57459196 -3.23920751 0.66936996 3.62513738 -0.65506843 5.88324195 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1070-11-7 14051 170465115 Z Ethambutol dihydrochloride Cl.Cl.CC[C@@H](CO)NCCN[C@H](CO)CC Tox21_110494_1 -NCGC00015987-09 196698500 tox21-ror-cho-viability-p1 set1 4 -0.88449956 0.10892927 0.80744021 1.33703138 -1.27884204 -0.71105797 -2.23954401 1.59350146 0.26475404 -0.94318045 1.73363817 1.12703334 -0.02219742 -1.39222557 1.94217738 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80880-90-6 5387 170466639 A Telenzepine CN1CCN(CC1)CC(=O)N3c2c(csc2C)C(=O)Nc4ccccc34 Tox21_110274_1 -NCGC00183022-01 196698532 tox21-ror-cho-viability-p1 set1 4 -2.93375979 0.84514036 -0.73070459 0.10071587 -0.48544136 0.27744698 0.09279519 -0.9971506 -3.20241164 1.03022747 0.61911019 -1.77898242 -1.71993871 6.5423488 -0.81396479 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 31188-99-5 35751 144206862 A A 4'-Piperidinylcarbonylmethoxyacetophenone O=C(COc1ccc(cc1)C(C)=O)N2CCCCC2 Tox21_113311 -NCGC00344572-01 196698119 tox21-ror-cho-viability-p1 set1 4 -0.51627819 -0.69943919 1.4691616 0.88851906 0.53095053 1.06767054 0.54219879 5.58648244 1.34389504 0.14533865 1.58484948 1.18954106 1.11369535 1.0610073 0.91705568 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52508-35-7 23667639 170466133 Ac Dikegulac sodium [Na+].[O-]C(=O)[C@]23O[C@H]1COC(C)(C)O[C@H]1[C@@H]3OC(C)(C)O2 Tox21_112391_1 -NCGC00091253-05 196698521 tox21-ror-cho-viability-p1 set1 4 -1.96591866 0.58966065 -0.28238469 -0.06656111 0.78988087 0.99250366 -0.50042589 0.73012555 1.69269456 -0.67228743 -2.03206623 -1.40515743 5.13357187 0 -1.45049565 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00163778-09 196698528 tox21-ror-cho-viability-p1 set1 4 1.45587634 1.27667576 -1.94984815 -1.69245743 -2.41014703 1.08759182 0.24545334 -0.33484039 1.77041799 -2.55836338 -2.26704603 8.17500333 1.6101827 -2.17288083 -0.75451523 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58594-72-2 173636 170466809 A Imazalil sulfate O=S(=O)(O)O.Clc2ccc(C(OCC=C)Cn1ccnc1)c(Cl)c2 Tox21_112071_1 -NCGC00166206-04 196698534 tox21-ror-cho-viability-p1 set1 4 1.44182056 -0.89944349 -5.08361632 -2.76812555 -1.46711041 -2.19427483 0.39375289 -0.96990687 0.52373674 -3.93503621 -0.70781329 2.27944276 0.42267679 1.84396163 -0.03020845 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 643-79-8 4807 170466016 F 1,2-Benzenedicarboxaldehyde O=Cc1ccccc1C=O Tox21_112347_1 -NCGC00254349-01 196698933 tox21-ror-cho-viability-p1 set1 4 -1.97190174 -3.21283517 -3.07586569 0.64807132 0.11206112 -2.42752701 0.16864795 0.08236214 -2.96013052 -5.44185563 -2.54053863 -6.59613317 -3.28666488 -5.18546188 -7.90331273 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-30-6 6838 144210891 A B N-Nitrosodiphenylamine O=NN(c1ccccc1)c2ccccc2 Tox21_300574 -NCGC00254347-01 196698936 tox21-ror-cho-viability-p1 set1 4 0.216899429 3.759388004 -2.259388004 1.5 1.6266150999 0.3798658906 0.2953818666 0.43811146 0.55339373 -0.41197663 -4.4215936 -6.46615667 -3.84783788 0.95711638 0.7730278 0.24731619 0.07632985 0.71003744 4.85401527 -0.1286347 0.72952821 3.56068918 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 134-20-3 8635 144210665 A A Methyl 2-aminobenzoate Nc1ccccc1C(=O)OC Tox21_300347 -NCGC00254302-01 196698947 tox21-ror-cho-viability-p1 set1 -2.4 61.130564862 -33.4432146559 -1.5 -34.9432146559 2.4729283767 0.9013249204 0.0003027853 -2.81839237 1.37193223 0 -1.95046159 0.20406101 -5.20543775 -1.15719402 -5.85815164 -0.03199446 0.87656859 1.31231747 -3.16588563 -3.62617714 -9.95260434 -26.20267888 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 136-77-6 3610 144210675 Ac Ac 4-Hexylresorcinol Oc1cc(O)ccc1CCCCCC Tox21_300357 -NCGC00255055-01 196698953 tox21-ror-cho-viability-p1 set1 4 -9.32243352 -8.03571262 -5.34249294 -8.73143864 -2.45718442 -6.47038917 -2.43087233 -3.79062835 -2.18588244 -2.51729635 -3.73217607 -4.34294461 0 -2.3775883 -0.16608712 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1072-71-5 2723630 144211474 2,5-Dimercapto-1,3,4-thiadiazole Sc1nnc(S)s1 Tox21_301157 -NCGC00255614-01 196728828 tox21-ror-cho-viability-p1 set3 4 0.4855773367 -10.51333568 9.5 -1.01333568 4.9549173134 0.4062501225 0.282258254 1.86190319 5.93096451 13.59565469 9.18877984 11.04618933 15.0681517 4.94714462 12.08791034 -4.41055938 8.01484242 -9.5944464 -7.05173392 -2.72567326 10.00782591 8.38748029 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19408-46-9 88045 144212553 Ac Kasugamycin hydrochloride Cl.O=C(O)C(=N)N[C@H]2C[C@H](N)[C@@H](O[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1O)O[C@@H]2C Tox21_302236 -NCGC00255185-01 196728826 tox21-ror-cho-viability-p1 set3 4 61.130564862 -14.098446648 1.5 -12.598446648 3.9899729863 0.8197911114 0.0052165675 0.53626423 2.78009351 1.87940315 0.31645263 0.61896264 -0.25396876 2.48837723 3.68728486 2.52270294 -1.25102385 4.3359821 1.23600212 1.46146242 -0.99292343 -10.49870554 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2152-44-5 16533 144212605 A A Betamethasone valerate OCC(=O)[C@@]4(OC(=O)CCCC)[C@@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_302288 -NCGC00090704-03 196729244 tox21-ror-cho-viability-p1 set3 4 0.31134836 2.39218702 -0.21220315 1.28859946 -0.85270217 0.03790088 2.09311127 4.27702082 1.64846325 0.07343366 0.46370676 4.95215032 5.28783164 4.26776489 0.82212084 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00263563-01 196725563 tox21-ror-cho-viability-p1 set3 -2.1 10.5909294584 -95.9528516688 -0.383256657 -96.3361083258 0.9999999999 0.9839353189 1.33E-8 -3.4926146 -1.1752063 1.27520511 2.37533774 -0.07214713 0.8743186 1.77899202 -3.16009212 -4.67195614 -8.90495668 -15.55985979 -28.72677257 -37.59399834 -71.11124145 -76.45722883 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84878-61-5 20054964 170466228 F Maduramicin ammonium [NH4+].O[C@]1(CC([O-])=O)O[C@H]([C@H](OC)[C@@H](OC)[C@@H]1C)[C@H](C)[C@H]2O[C@]3(C[C@H](O)[C@H]2C)CC[C@](C)(O3)[C@H]4CC[C@](C)(O4)[C@@H]6O[C@H](C[C@@H]6OC5C[C@H](OC)[C@@H](OC)[C@H](C)O5)[C@H]7O[C@](C)(O)[C@H](C)C[C@@H]7C Tox21_113443_1 -NCGC00159522-05 196725149 tox21-ror-cho-viability-p1 set3 4 9.4391758155 11.2545572479 -2.7545572479 8.5 1.692447691 0.419391525 0.2537181054 2.08921265 5.8495324 -4.62060181 -5.46692567 -8.32440305 -5.94737704 -7.147694 0.00462065 1.45069304 -8.96213104 -0.41671737 0.62854222 1.07505327 7.74595031 6.83144678 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15686-71-2 27447 170464982 C Cephalexin CC=3CS[C@H]2N(C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C=3C(=O)O Tox21_111740_1 -NCGC00263884-02 196725153 tox21-ror-cho-viability-p1 set3 4 -1.89145144 0.50158454 4.95712511 10.47388435 -5.26980982 2.06841458 -0.62894262 4.94382582 -2.37551617 -0.65115711 -3.77530684 7.08782352 -7.7626224 0.72560488 10.15648989 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 139264-17-8 60857 170464875 A Zolmitriptan CN(C)CCc2cnc1ccc(cc12)C[C@@H]3NC(=O)OC3 Tox21_111455_1 -NCGC00159456-11 196725159 tox21-ror-cho-viability-p1 set3 4 9.4391758155 -11.674729204 6.5 -5.174729204 0.3 0.5346424742 0.150433575 7.20419327 8.04982662 4.14565618 4.05454914 6.41514888 0.33844318 3.67406624 4.76536597 5.25219121 5.7092262 -0.43807866 -0.05737816 3.68601254 -0.20135514 -2.64560767 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 220127-57-1 123596 170465393 A Imatinib CS(=O)(=O)O.Cc3ccc(cc3Nc1nc(ccn1)c2cccnc2)NC(=O)c4ccc(cc4)CN5CCN(C)CC5 Tox21_111684_1 -NCGC00182547-02 196725567 tox21-ror-cho-viability-p1 set3 4 0.0298492948 6.5668466799 -3.5668466799 3 4.9549173134 0.3588487073 0.3280175739 1.43181688 0.7499539 -4.53668105 -1.41144143 -14.6390389 2.23688441 -0.62282673 5.23564728 4.35921227 -1.59833922 4.11525181 2.64735024 4.32168802 3.62736088 -0.95903134 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122795-43-1 60754 170464821 F Gadodiamide hydrate [Gd+3].O.CNC(=O)CN(CC([O-])=O)CCN(CCN(CC([O-])=O)CC(=O)NC)CC([O-])=O Tox21_113000_1 -NCGC00016391-13 196725568 tox21-ror-cho-viability-p1 set3 4 0.0007497804 -11.746060188 10 -1.746060188 4.9549173134 0.6777053561 0.0603588463 7.35860264 -1.2294319 -0.18485086 -2.51517502 -0.51779822 1.77621229 -1.1942122 -2.0810584 -3.68345848 0.21429742 -2.75227518 -1.61876254 -4.78838349 -1.45649181 -8.56362192 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 130-26-7 2788 170465019 A Clioquinol Oc1c(I)cc(Cl)c2cccnc12 Tox21_110416_1 -NCGC00015060-14 196725576 tox21-ror-cho-viability-p1 set3 1.2 0.0121227658 42.6573167279 -18.1573167279 24.5 0.4 0.7720703164 0.0135491366 -2.32989219 -11.79776394 2.75884894 0 10.08795304 17.64874642 19.28812085 12.61906352 11.72127378 17.1914794 9.76736001 25.20110234 22.7313426 24.74992011 27.95927341 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00253611-01 196725976 tox21-ror-cho-viability-p1 set3 4 6.36965114 -0.79219773 -1.08976573 -1.25865513 -2.30132166 -0.71241948 0.82120211 -1.33276867 -1.88390241 -1.60715284 -0.88724269 -0.79511312 -2.53025065 0.38111045 0.22777364 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77-51-0 6481 170465846 A F Isoaminile CC(C)C(C#N)(CC(C)N(C)C)c1ccccc1 Tox21_113743 -NCGC00182988-01 196698211 tox21-ror-cho-viability-p1 set1 4 -0.89403645 1.44736712 -0.33482416 1.7324252 1.02435292 -0.39617154 -0.42659055 -0.02795564 1.65748889 -0.11642214 0.40707129 0.21238241 0.63023326 -0.49935342 0.12601173 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123548-56-1 129991 144206850 A A Acreozast Clc1c(cc(cc1NC(=O)COC(C)=O)C#N)NC(=O)COC(C)=O Tox21_113299 -NCGC00247708-01 196723561 tox21-ror-cho-viability-p1 set3 4 1.4093331473 22.4948930559 -7.9948930559 14.5 2.4063783767 0.8032368954 0.0104017858 3.14601204 -2.75206336 -7.00761089 -9.5343832 -7.6123515 -15.41241088 -9.66281805 -9.51043366 -9.77862305 13.07515441 11.59885716 12.95915377 11.70864382 16.56857253 -1.84020444 1.3309999999E-9 2.9759999999E-9 6.6539999999E-9 1.488E-8 3.327E-8 7.4389999999E-8 1.663E-7 3.719E-7 8.3169999999E-7 0.00000186 0.0000041589999999 0.0000092989999999 0.00002079 0.00004649 0.000104 3372-02-9 21124389 144206415 Z Z N-Normorphine hydrochloride Cl.Oc1ccc2C[C@H]4NCC[C@@]35[C@@H](Oc1c23)[C@@H](O)C=C[C@@H]45 Tox21_112862 -NCGC00249901-01 196722735 tox21-ror-cho-viability-p1 set3 4 11.10654215 6.5868038 5.73817247 5.50848257 0.64474442 0.33322492 1.07514747 4.1757575 5.17210162 0.97887242 -0.40167 6.6724159 2.6700744 4.8252657 1.48548546 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63906-52-5 23684827 170465517 F A Thiocyanoacetic acid sodium salt [Na+].[O-]C(=O)CSC#N Tox21_113677 -NCGC00185741-02 196722740 tox21-ror-cho-viability-p1 set3 4 0.2113168243 13.5168514241 1.9831485759 15.5 0.9999999999 0.587986563 0.1056618817 3.72107535 0.93895485 0.03796463 4.185775 10.8868633 -2.93070952 -0.17742571 6.1420762 14.82870312 18.52904955 16.25830007 11.40414403 13.06664768 7.69296672 21.32862311 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 78281-72-8 151075 170465203 A Nepafenac Nc1c(cccc1CC(N)=O)C(=O)c2ccccc2 Tox21_112985_1 -NCGC00090986-03 196723556 tox21-ror-cho-viability-p1 set3 -2.2 27.4727179077 -38.345270637 4.5 -33.845270637 1.92824246 0.8740199709 0.000995776 7.95060383 3.99527318 4.25100878 8.93274289 4.78431794 1.97220533 0.03857702 -2.27931488 13.22023792 2.52006899 9.0163618 -4.20611463 -7.02722622 -19.24283861 -34.1221965 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00095252-05 196723575 tox21-ror-cho-viability-p1 set3 4 47.307944147 23.883574028 2.116425972 26 0.8999999999 0.4889264053 0.1888372092 9.28451305 -1.22626795 -0.35298459 4.59898311 -1.98631169 -1.45128303 2.80555755 8.0557163 1.11381856 4.76981603 5.03835919 2.80595926 5.46851885 4.8377243 18.73703596 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 515-69-5 1549992 170466208 F Bisabolol CC1=CC[C@@H](CC1)[C@@](O)(C)CC\C=C(/C)C Tox21_111490_1 -NCGC00090858-02 196723973 tox21-ror-cho-viability-p1 set3 4 0.0015355304 17.351517444 -17.851517444 -0.5 0.6 0.4069379598 0.2662763229 -13.20959787 -0.61826851 -10.73105903 0.44163342 -9.19135555 -0.47636821 -0.92853002 0.00964195 -2.21212854 -1.82074183 -0.88614368 -1.11378967 -2.57561518 -1.37838838 2.71540252 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00357164-01 196723983 tox21-ror-cho-viability-p1 set3 4 -3.59912752 -0.80952165 2.62122735 -2.27647758 0.53818311 5.11852037 2.03521608 1.1902136 -1.05325199 2.32326761 2.44900474 1.86929343 -0.98897198 1.4565947 5.22736449 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 107133-36-8 441313 251919783 A Perindopril erbumine CC(C)(C)N.O=C(OCC)[C@H](CCC)N[C@@H](C)C(=O)N1[C@@H](C[C@@H]2CCCC[C@H]12)C(=O)O Tox21_303915 -NCGC00260285-01 196723986 tox21-ror-cho-viability-p1 set3 4 0.0216899429 6.301484 -3.801484 2.5 4.9549173134 0.3934746023 0.2793462083 -7.33457 -3.33772727 0.34019317 -4.90314565 2.03974894 4.20020043 4.22347766 7.63744984 2.48647626 -3.09964492 -1.88610081 -0.39980328 -1.53881406 3.81702363 7.02338509 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-82-7 7957 144209935 A A 2,6-Dimethyl-4-heptanol CC(C)CC(O)CC(C)C Tox21_202737 -NCGC00260428-01 196723989 tox21-ror-cho-viability-p1 set3 4 75.7083142977 -17.617239116 0 -17.617239116 4.9549173134 0.4269703008 0.2467685045 -0.36627043 7.14800684 2.77745329 -6.5947796 0.64741124 -3.45889095 -2.46789058 1.86597815 -6.52284791 3.66881891 1.47085916 -3.51464181 0.26994053 1.33669142 -13.01436593 1.164E-9 2.603E-9 5.8199999999E-9 1.301E-8 2.91E-8 6.507E-8 1.4549999999E-7 3.254E-7 7.275E-7 0.0000016269999999 0.0000036379999999 0.000008134 0.00001819 0.00004067 0.00009094 96-37-7 7296 144210080 F Methylcyclopentane CC1CCCC1 Tox21_202882 -NCGC00015237-07 196697812 tox21-ror-cho-viability-p1 set1 4 -2.01021742 1.47037818 3.1590642 1.95377847 0.4675435 -1.06448465 0.67512805 -1.12705786 -1.30497104 -0.67335671 -2.57857215 0.87397368 -2.55655987 2.06855804 1.80352718 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-83-2 5831 170464972 Z Carbachol [Cl-].C[N+](C)(C)CCOC(=O)N Tox21_112029_1 -NCGC00164246-05 196697821 tox21-ror-cho-viability-p1 set1 4 0.77490362 3.31327365 -0.09016437 -1.17237576 -0.00127456 -0.59858064 5.93670474 0.03293693 0.41330724 -3.56291155 -2.72988527 -1.99003105 3.82944083 0.02674757 0.1061389 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69-65-8 6251 170465566 Z D-Mannitol O[C@H]([C@H](O)CO)[C@H](O)[C@H](O)CO Tox21_112092_1 -NCGC00253587-01 196697824 tox21-ror-cho-viability-p1 set1 4 -0.33248654 9.31064317 3.54698693 1.71119186 1.55880214 4.35709763 0.6794743 5.90401902 2.41786743 0.08561248 4.39819277 8.34494255 1.1038714 3.70501289 0.21757267 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 184036-34-8 216235 170465720 F B Sitaxentan O=C(Cc1cc2OCOc2cc1C)c3sccc3S(=O)(=O)Nc4onc(C)c4Cl Tox21_113725 -NCGC00256130-01 196700144 tox21-ror-cho-viability-p1 set1 4 5.54123323 1.6954214 -0.20793485 5.40813689 0.85458539 10.2282226 4.65511814 4.98634011 -0.21352085 0.61718052 7.2886902 0.27650882 3.47428547 7.26273585 0.90861252 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6711-48-4 81207 144212008 A D N'-[3-(Dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine CN(C)CCCNCCCN(C)C Tox21_301691 -NCGC00254118-01 196714225 tox21-ror-cho-viability-p1 set2 4 -0.30771318 0.72959458 0.23385618 1.70130085 1.78658345 0.17815353 2.91508336 0.15839165 -0.81785803 0.82690045 -0.73020934 4.04541424 1.42993306 1.12361644 5.79169115 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 95-63-6 7247 144210369 FNS 1,2,4-Trimethylbenzene Cc1cc(C)c(C)cc1 Tox21_300049 -NCGC00254402-01 196714230 tox21-ror-cho-viability-p1 set2 4 -1.2246941 -1.77022535 0.76460753 0.49591086 3.70033215 0.647655 2.46109863 2.28526144 2.71961434 -1.56681397 3.47612313 1.21395594 4.22737273 2.39572425 2.5839071 1.066E-9 2.385E-9 5.3319999999E-9 1.192E-8 2.666E-8 5.962E-8 1.3329999999E-7 2.9809999999E-7 6.665E-7 0.00000149 0.000003333 0.000007452 0.00001666 0.00003726 0.00008332 124378-77-4 60768 144210744 A A Enadoline O=C(Cc2cccc1occc12)N(C)[C@H]3CC[C@]5(C[C@@H]3N4CCCC4)CCCO5 Tox21_300426 -NCGC00254845-01 196714236 tox21-ror-cho-viability-p1 set2 -1.1 13.7689754884 -86.8442578461 -2.237877719 -89.0821355651 1.6266150999 0.9655102075 0.0000010672 -2.58796831 0.09481128 -3.98775037 -2.79689803 0.11958358 -10.94187127 -4.81279491 -0.2641825 -5.0154357 -4.35273887 -8.67818742 -18.6421477 -67.44449541 -70.05045385 -82.25919361 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 156052-68-5 122087 144211260 A D Zoxamide Clc1cc(cc(Cl)c1C)C(=O)NC(C)(CC)C(=O)CCl Tox21_300943 -NCGC00255931-01 196700139 tox21-ror-cho-viability-p1 set1 4 68.5896218971 10.7992621881 0.2007378119 11 0.7999999999 0.3911073027 0.2839153334 -0.1370465 -0.47287281 0.52348885 0.1356197 0.37245373 0.12841496 0.94091362 0.41698363 0.69780906 5.17311111 4.51541331 -4.83271849 2.72439868 4.98574012 7.78036781 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 118-88-7 67054 144212582 A A 5-Amino-2-methylbenzenesulfonic acid Cc1ccc(N)cc1S(O)(=O)=O Tox21_302265 -NCGC00256194-01 196700141 tox21-ror-cho-viability-p1 set1 4 2.70249635 -0.39916015 -0.4280996 3.14887148 3.77310727 4.93538308 1.59466267 1.59700463 0.61078675 2.12508894 -5.10893888 0.72781205 -1.72661345 4.54166794 1.66683428 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 495-40-9 10315 144212662 A A Butyrophenone O=C(CCC)c1ccccc1 Tox21_302345 -NCGC00257537-01 196700143 tox21-ror-cho-viability-p1 set1 4 0.30755419 0.62227723 -0.84538014 -0.57607064 0.54505399 1.02739159 -4.37184413 1.10037709 1.45850397 4.42879513 1.13852921 0.53266046 -0.09676199 -0.38711565 4.67353488 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 640-19-7 12542 144211614 A A 2-Fluoroacetamide FCC(N)=O Tox21_301297 -NCGC00255525-01 196700542 tox21-ror-cho-viability-p1 set1 -2.4 27.3060203028 -31.8347984679 2 -29.8347984679 2.4063783767 0.9476643267 0.0000108154 4.56761294 3.51411531 1.6644024 1.11998175 4.01743267 -2.05724227 3.46384692 2.83315952 3.37955135 1.64572867 0.88970609 -4.75013568 -4.11243938 -22.38140769 -28.19566539 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15457-05-3 27295 144211671 A A Fluorodifen [O-][N+](=O)c1ccc(cc1)Oc2ccc(cc2[N+]([O-])=O)C(F)(F)F Tox21_301354 -NCGC00255444-01 196700563 tox21-ror-cho-viability-p1 set1 4 -3.92788305 0.90920455 -0.51114906 0 -0.21240891 0.46053605 -0.16871431 0.95856987 -0.53102979 -0.00281302 -0.63935383 0.12343356 0.19650611 0.05819312 1.06850361 1.178E-8 2.6339999999E-8 5.89E-8 1.317E-7 2.945E-7 6.5849999999E-7 0.0000014719999999 0.0000032919999999 0.000007362 0.00001646 0.00003681 0.00008231 0.00018409999999 0.0004116 0.00092029999999 34681-23-7 9571009 144212589 A A Butoxycarboxim CC(C(\C)=N\OC(=O)NC)S(C)(=O)=O Tox21_302272 -NCGC00255314-01 196700961 tox21-ror-cho-viability-p1 set1 4 -0.77624632 0.62975351 -1.08480073 1.92641644 1.57573464 2.63117936 0.0699956 3.41525663 0.19685624 4.76792717 7.32327138 1.60877809 2.75923565 6.04676165 2.56552541 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1452-15-9 15069 144211557 4-Thiazolecarbonitrile N#Cc1cscn1 Tox21_301240 -NCGC00256312-01 196700958 tox21-ror-cho-viability-p1 set1 4 -1.72170886 -7.3867514 -6.19392631 -1.00089073 -6.74579589 0.90676781 -5.43245397 -2.2713586 0.61283157 -0.68382663 0.07248252 -3.37964555 -1.80517441 -8.07659663 -7.12999786 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68555-86-2 23703979 144212202 F Acid Orange 156 [Na+].O=S([O-])(=O)c3ccc(/N=N/c2cc(OC)c(/N=N/c1ccc(OC)cc1)cc2C)cc3 Tox21_301885 -NCGC00255831-01 196700959 tox21-ror-cho-viability-p1 set1 4 61.130564862 -21.577928036 0 -21.577928036 0.7999999999 0.6767837354 0.0495706888 -1.37223025 -0.93886652 0.04105557 -1.53390587 3.49866797 0.33298039 0.73808166 -0.68067685 0.66527761 -0.11263978 -1.60986456 -7.71417993 -7.56783229 -1.92804053 -16.31494003 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69806-34-4 50895 144212174 A A Haloxyfop O=C(O)C(C)Oc1ccc(cc1)Oc2ncc(cc2Cl)C(F)(F)F Tox21_301857 -NCGC00255909-01 196700963 tox21-ror-cho-viability-p1 set1 4 -1.5153467 0.96305895 4.17758122 0.09580429 2.4258083 0.7898376 0.25160591 0.223676 2.76959756 1.87687454 -0.89278669 0.50229955 1.20007971 8.11816673 2.76008188 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5870-93-9 62592 144211694 A F Heptyl butanoate CCCCCCCOC(=O)CCC Tox21_301377 -NCGC00257209-01 196707147 tox21-ror-cho-viability-p1 set1 4 76.9588215421 14.280407612 0.719592388 15 4.9549173134 0.722793472 0.0293731521 -0.03971347 0.04109031 2.61998974 0.61567386 -1.35001441 1.03884699 1.9824762 0.56815774 0.74755034 -0.46117323 4.04677091 1.33032715 3.05327127 -1.48367301 11.21329833 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2044-64-6 16278 144213582 A A N,N-Dimethylacetoacetamide CC(=O)CC(=O)N(C)C Tox21_303265 -NCGC00259564-01 196706747 tox21-ror-cho-viability-p1 set1 4 5.73546465 2.74433686 7.55964658 6.72203183 2.26929568 2.69915901 3.71408962 3.05438535 10.74505918 10.10976385 5.28486545 3.18270485 1.09170701 2.40803891 0.42922219 1.1679999999E-9 2.612E-9 5.8409999999E-9 1.3059999999E-8 2.92E-8 6.53E-8 1.4599999999E-7 3.265E-7 7.3009999999E-7 0.0000016319999999 0.0000036499999999 0.000008162 0.00001825 0.00004081 0.00009126 592-31-4 11595 144209213 A A N-Butylurea NC(=O)NCCCC Tox21_202015 -NCGC00259175-01 196706751 tox21-ror-cho-viability-p1 set1 -1.1 1.538654006 -80.3441610845 -5.306123189 -85.6502842735 1.826479391 0.9868989731 4E-9 -0.68520147 -5.32458974 -8.45969916 -11.39928501 3.59349592 -6.62326621 -12.11918645 -7.92691182 -24.65044764 -43.96424973 -76.30650434 -84.13315578 -84.42364725 -84.46773597 -82.83679357 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.303E-7 7.387E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 1461-22-9 15096 144208824 A A Tributyltin chloride CCCC[Sn](Cl)(CCCC)CCCC Tox21_201626 -NCGC00259430-01 196706753 tox21-ror-cho-viability-p1 set1 4 -4.13933831 3.67185346 -0.47118279 -0.80905798 -0.39432934 -1.98593317 0.31660902 -0.40629966 -2.37537255 0 -6.05914887 -6.29597896 -0.75019724 0.54233714 -0.4284027 1.188E-9 2.6549999999E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 124-18-5 15600 144209079 FNS Decane CCCCCCCCCC Tox21_201881 -NCGC00257321-01 196707159 tox21-ror-cho-viability-p1 set1 4 -17.97547522 -6.03241357 -17.39876992 -19.48927005 -21.10631698 -13.87127735 -21.69909292 -23.44385612 -16.58207617 -23.79624741 -22.0001083 -16.64317921 -15.52285215 -17.53125544 -7.41823271 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135-76-2 23667648 144213847 A A Sodium 6-hydroxynaphthalene-2-sulfonate [Na+].[O-]S(=O)(=O)c1ccc2cc(O)ccc2c1 Tox21_303541 -NCGC00257105-01 196707564 tox21-ror-cho-viability-p1 set1 4 7.54561731 1.90783682 0.62472405 4.00642148 0.39722194 2.50893354 1.17839165 2.91950079 7.04431925 0.34827705 3.33232593 3.07605637 6.04272237 6.99038821 10.93304241 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4083-64-1 77703 144213453 F F 4-Methylbenzenesulfonyl isocyanate Cc1ccc(cc1)S(=O)(=O)/N=C=O Tox21_303136 -NCGC00255645-01 196729180 tox21-ror-cho-viability-p1 set3 4 -0.31822612 1.10463872 3.41505575 -1.97787965 -0.53731119 -3.02503976 6.72753914 4.21705637 3.68948443 -3.12165401 0.16366324 11.44842076 -0.48381227 -4.59408142 6.84153805 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25211-86-3 12521030 144211688 A F Etidronic acid monohydrate O.CC(O)(P(O)(=O)O)P(=O)(O)O Tox21_301371 -NCGC00255468-01 196728357 tox21-ror-cho-viability-p1 set3 4 3.4376242854 -7.8576602599 2.5 -5.3576602599 0.9999999999 0.4326849018 0.2416117936 0 8.02728264 -1.90291372 5.27098916 4.83533585 -2.47366526 7.53713289 -1.26624791 -2.67150325 4.41996589 -1.63388616 -4.34218378 -4.41181354 -4.88138355 -4.43421895 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-00-9 1066 144212368 A A 2,3-Pyridinedicarboxylic acid OC(=O)c1ncccc1C(=O)O Tox21_302051 -NCGC00255135-01 196728358 tox21-ror-cho-viability-p1 set3 4 -4.97843138 -4.81049706 -2.58768355 0.09424276 1.23402507 0.71941746 4.99614727 0.71352865 0.05583746 1.73642506 1.52970724 -4.57840292 0.60408262 4.37323344 3.77579798 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 127-39-9 23683016 144212694 A Sodium 1,4-diisobutyl sulfosuccinate [Na+].O=S(=O)([O-])C(CC(=O)OCC(C)C)C(=O)OCC(C)C Tox21_302377 -NCGC00091632-02 196728362 tox21-ror-cho-viability-p1 set3 4 -0.9460414 4.98465069 6.724223 -6.37833254 -2.51128055 -7.79427114 2.81855913 -2.69796832 4.25015718 -3.60913806 -9.15258951 2.12975965 -1.75513279 0.57647555 2.61603397 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00255675-01 196729181 tox21-ror-cho-viability-p1 set3 4 0.019331182 10.6093100199 -6.1093100199 4.5 2.5884283767 0.3131225535 0.3547385321 4.04227153 -14.25775835 -9.02435479 -0.18359607 -0.85498815 8.76713172 5.36620733 -7.65844954 1.70905809 9.60632205 2.47582627 14.21881535 -0.38210072 12.39745224 0.65504789 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33228-44-3 93162 144212016 A A 4-Pentylaniline Nc1ccc(CCCCC)cc1 Tox21_301699 -NCGC00090780-04 196729189 tox21-ror-cho-viability-p1 set3 4 0.9882861 -5.73361377 8.90948336 -1.26732732 -0.91843745 9.10218789 -5.08067194 3.32789014 -1.18226664 0.65111267 -2.52002641 1.80532957 4.42128761 1.78417277 0.9088805 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00258300-01 196729590 tox21-ror-cho-viability-p1 set3 4 -0.46322171 1.22078994 0.91359334 0.83832172 -0.84378954 1.16772862 1.929132 3.91250146 4.93694822 4.39094679 0.29744002 1.19255485 -0.38928625 1.68612587 4.30493399 1.198E-9 2.6779999999E-9 5.989E-9 1.339E-8 2.994E-8 6.696E-8 1.497E-7 3.3479999999E-7 7.486E-7 0.0000016739999999 0.0000037429999999 0.00000837 0.000018719999999 0.00004185 0.00009358 104-38-1 66912 144207944 A A 2,2'-[1,4-Phenylenebis(oxy)]diethanol OCCOc1ccc(OCCO)cc1 Tox21_200746 -NCGC00257639-01 196715726 tox21-ror-cho-viability-p1 set2 4 -1.0836392 -2.5671523 0.44790738 0.959349 -0.25822298 -0.87059727 -3.55475526 -3.26139303 -1.13992267 -1.00520706 -1.84666816 0.21255238 -0.75054401 -1.39518753 -4.53577723 1.164E-9 2.603E-9 5.8199999999E-9 1.301E-8 2.91E-8 6.507E-8 1.4549999999E-7 3.254E-7 7.276E-7 0.0000016269999999 0.0000036379999999 0.000008134 0.00001819 0.00004067 0.00009094 102-36-3 7607 144207283 F 3,4-Dichlorophenyl isocyanate Clc1ccc(/N=C=O)cc1Cl Tox21_200085 -NCGC00257723-01 196715717 tox21-ror-cho-viability-p1 set2 4 67.0579497893 -19.3326857599 -1 -20.3326857599 4.9549173134 0.8694113235 0.0011996551 -1.98467624 0.00435117 -4.66530999 0.48301188 -1.43594331 -1.45408217 -2.01298787 -1.00368411 0.04966053 -0.00670515 0.59652874 -0.06760822 -4.14751824 -1.89068375 -16.9439048 1.158E-9 2.5899999999E-9 5.792E-9 1.2949999999E-8 2.896E-8 6.4759999999E-8 1.448E-7 3.238E-7 7.24E-7 0.0000016189999999 0.00000362 0.000008095 0.0000181 0.00004047 0.000090499999999 13014-24-9 25608 144207367 A D 1,2-Dichloro-4-(trichloromethyl)benzene Clc1ccc(cc1Cl)C(Cl)(Cl)Cl Tox21_200169 -NCGC00258318-01 196716118 tox21-ror-cho-viability-p1 set2 4 4.07181977 2.63842134 0.96964168 1.72508449 4.09324428 2.83224704 1.66067639 -0.0078839 2.96833991 1.29734768 1.22744291 0.93195253 1.35671336 0.71123132 -0.23332674 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 623-91-6 638144 144207962 A A Diethyl (2E)-but-2-enedioate O=C(/C=C/C(=O)OCC)OCC Tox21_200764 -NCGC00258017-01 196716124 tox21-ror-cho-viability-p1 set2 4 10.6169563249 -6.474920012 0.5 -5.974920012 3.0654483358 0.6345003723 0.0882292125 0.57194574 -0.19545291 0.63618022 3.2925402 2.06349499 1.60257527 -3.02617969 0.05100283 0.04114304 0.40083316 0.6914443 -0.33059376 -7.47910001 -4.02492594 2.20359071 1.157E-9 2.586E-9 5.7829999999E-9 1.293E-8 2.892E-8 6.466E-8 1.446E-7 3.2329999999E-7 7.229E-7 0.000001616 0.000003615 0.000008082 0.000018069999999 0.000040409999999 0.00009036 14643-87-9 159747 144207661 A A Zinc diacrylate [Zn+2].C=CC(=O)[O-].[O-]C(=O)C=C Tox21_200463 -NCGC00015673-13 196713657 tox21-ror-cho-viability-p1 set2 4 0.0009439176 10.68412424 -9.68412424 1 4.4494702849 0.7698790419 0.0145501232 -8.4867702 -0.95073343 1.80985303 1.16666006 1.98265862 2.57934125 0.81887848 0.62575553 -1.23143023 -1.26070657 2.75322622 1.98508779 1.18198265 -1.34913427 2.32409982 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 38304-91-5 4201 170464704 A Minoxidil Nc1cc(nc(N)[n+]1[O-])N2CCCCC2 Tox21_110193_1 -NCGC00167490-03 196713254 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -17.433842776 0.5 -16.933842776 4.9549173134 0.888614117 0.0005590681 -0.86721919 -1.0131508 -2.55958059 2.04053466 0.47453185 1.06179915 1.25497613 -1.30143987 -0.05670928 2.15975615 1.29781224 0.19940877 1.05977102 0.37852912 -14.94486898 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82186-77-4 6437380 170465388 A Lumefantrine CCCCN(CCCC)CC(O)c4cc(Cl)cc3c4c1ccc(Cl)cc1\C3=C\c2ccc(Cl)cc2 Tox21_112491_1 -NCGC00253728-01 196713650 tox21-ror-cho-viability-p1 set2 4 -0.56881715 -0.01270607 -2.91456974 -3.94191614 -2.40626995 -0.42913355 1.40486523 0.13547235 0.11089003 -0.51466928 1.13049636 2.45787 1.44389047 0.19737765 3.08046964 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 100-76-5 7527 170466683 Z Fns Quinuclidine C1CN2CCC1CC2 Tox21_113847 -NCGC00016373-08 196713652 tox21-ror-cho-viability-p1 set2 -3 33.4914596268 -49.6377521691 1.2104457045 -48.4273064646 4.9549173134 0.9763580106 1.248E-7 2.38959534 -0.45169754 0.05650989 0.57890158 1.42908102 3.31099252 1.17936757 0.06051334 0.3297583 2.48743982 -1.70380054 0.99791347 3.21025562 0.11434446 -42.48009339 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 121-54-0 8478 170465473 A Benzethonium chloride [Cl-].CC(C)(C)CC(C)(C)c2ccc(OCCOCC[N+](C)(C)Cc1ccccc1)cc2 Tox21_110403_1 -NCGC00249929-01 196713665 tox21-ror-cho-viability-p1 set2 4 13.3331902297 -25.743632904 6.5 -19.243632904 0.6999999999 0.8777491755 0.0008678006 1.21348747 8.88950562 8.62964238 4.86170123 5.45991491 8.72690431 6.2958127 5.70817006 5.39034286 -0.0297185 -0.23219333 0.38433799 -3.51123341 -7.99191011 -12.70302742 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 130726-68-0 5282433 170466035 I A Neticonazole CS\C=C(/c1ccccc1OCCCCC)n2ccnc2 Tox21_113705 -NCGC00254628-01 196714069 tox21-ror-cho-viability-p1 set2 4 -8.89845803 -14.71229902 -8.21711409 -16.79659119 -8.96854006 -12.15388661 -10.1625276 -17.17672397 -14.96357418 -10.97942794 -14.74176122 -11.70905101 -8.21467217 -7.5825619 -8.76792313 1.144E-9 2.5569999999E-9 5.719E-9 1.2789999999E-8 2.859E-8 6.3939999999E-8 1.4299999999E-7 3.197E-7 7.1479999999E-7 0.000001598 0.0000035739999999 0.0000079919999999 0.00001787 0.00003996 0.000089349999999 102851-06-9 91768 144211039 A A tau-Fluvalinate Clc3cc(ccc3N[C@@H](C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C(C)C)C(F)(F)F Tox21_300722 -NCGC00254082-01 196714073 tox21-ror-cho-viability-p1 set2 -2.4 30.6378586933 -23.1739483919 -0.5 -23.6739483919 2.3331733767 0.8821493376 0.0007261206 -0.8255405 4.38765217 -1.57600365 -1.51569647 -0.78460673 -1.22192269 0.72250064 -1.99968712 0.72145711 1.11668269 -5.24071994 -4.52039913 -2.19753311 -17.40885115 -21.81162366 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 154-42-7 2723601 144210595 A A 6-Thioguanine NC2=Nc1ncnc1C(=S)N2 Tox21_300275 -NCGC00254806-01 196714074 tox21-ror-cho-viability-p1 set2 4 24.3365162115 11.1426009401 0.3573990599 11.5 4.5044702849 0.8087620945 0.0095863392 0.11618584 0.48049603 -0.17559103 1.75064593 -3.45216745 0.01816976 0.04741993 1.25238227 0.31282488 2.10728097 0.51233199 2.1074076 2.55555995 10.71696137 2.91188914 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-42-8 7560 144211219 A A Fenuron O=C(Nc1ccccc1)N(C)C Tox21_300902 -NCGC00257819-01 196701856 tox21-ror-cho-viability-p1 set1 4 2.14466329 -1.43492722 1.98484577 -2.97046174 -3.35991989 -11.71367674 -6.07974637 0.38896125 1.75060098 -0.98989639 -0.90354225 -2.86502594 -2.98444552 4.38098005 -0.76708149 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.00000369 0.000008252 0.000018449999999 0.000041259999999 0.00009226 100-19-6 7487 144207463 A A 4-Nitroacetophenone O=[N+]([O-])c1ccc(cc1)C(C)=O Tox21_200265 -NCGC00259391-01 196705575 tox21-ror-cho-viability-p1 set1 4 2.96956221 0.39891704 2.10989154 4.91931834 2.45565795 -2.41352843 2.93122101 -3.77596377 -1.35916287 10.33568509 1.14206833 5.42422213 1.01734299 -1.330783 -5.80918776 1.1919999999E-9 2.6659999999E-9 5.9609999999E-9 1.333E-8 2.981E-8 6.6649999999E-8 1.49E-7 3.332E-7 7.451E-7 0.0000016659999999 0.000003726 0.0000083309999999 0.00001863 0.000041649999999 0.000093139999999 112-72-1 8209 144209040 A A 1-Tetradecanol CCCCCCCCCCCCCCO Tox21_201842 -NCGC00258970-01 196705577 tox21-ror-cho-viability-p1 set1 4 -0.61652355 0.93011554 0.99908631 6.95697128 -0.38391907 1.45741439 -0.61246798 0.17533988 2.79186346 8.91959937 -6.86360658 -1.33351613 -0.34235297 -5.91106418 1.54885676 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3079999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.000008269 0.000018489999999 0.00004135 0.00009245 1120-71-4 14264 144208617 D 1,3-Propane sultone O=S1(=O)CCCO1 Tox21_201419 -NCGC00257877-01 196702259 tox21-ror-cho-viability-p1 set1 4 6.9078176197 -20.6948553759 -2 -22.6948553759 0.6 0.7337302871 0.0247685955 -1.66523936 1.05135238 -1.51014026 0.02417162 -6.27035658 -6.58883868 -10.96121033 -4.58959866 -3.76722956 -4.0848272 -5.52346477 -16.73167475 -18.91237948 -18.57223581 -16.0578915 1.187E-9 2.6549999999E-9 5.937E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.3189999999E-7 7.421E-7 0.000001659 0.0000037099999999 0.000008297 0.00001855 0.000041479999999 0.00009276 523-87-5 10660 144207521 M M Dimenhydrinate CN(C)CCOC(c1ccccc1)c2ccccc2.O=C2c1nc(Cl)nc1N(C)C(=O)N2C Tox21_200323 -NCGC00090773-04 196701858 tox21-ror-cho-viability-p1 set1 4 -2.98650243 0.23178504 -4.96610837 -0.24570162 0.91193191 1.88258069 -1.35577795 -0.58606902 -1.80541872 0.0124069 1.08153634 7.51904712 -3.33032676 1.25711466 -1.9057284 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00258448-01 196701862 tox21-ror-cho-viability-p1 set1 4 -0.11185694 -4.26949365 -2.16824667 -0.55285116 -3.08679816 -0.46367135 -7.91188865 2.47640216 -0.27622395 5.98268185 -9.87682264 -1.89188826 -4.33601529 0 2.70352756 1.191E-9 2.664E-9 5.9569999999E-9 1.332E-8 2.978E-8 6.66E-8 1.489E-7 3.33E-7 7.446E-7 0.000001665 0.0000037229999999 0.0000083249999999 0.00001861 0.00004162 0.000093069999999 5589-96-8 542762 144208092 CC Bromochloroacetic acid BrC(Cl)C(=O)O Tox21_200894 -NCGC00257967-01 196702272 tox21-ror-cho-viability-p1 set1 4 -10.0340794 -3.26127861 -10.24182519 0.67352345 -10.62987908 -3.41804084 -10.27339118 -4.10444102 0.38056186 -0.32380889 -9.85463519 -14.88871142 -9.80832742 -2.7620601 -6.22568312 1.2069999999E-9 2.699E-9 6.0359999999E-9 1.3499999999E-8 3.0179999999E-8 6.7489999999E-8 1.509E-7 3.3739999999E-7 7.5449999999E-7 0.000001687 0.000003773 0.000008436 0.00001886 0.00004218 0.00009431 111-90-0 8146 144207611 A A 2-(2-Ethoxyethoxy)ethanol OCCOCCOCC Tox21_200413 -NCGC00257916-01 196702678 tox21-ror-cho-viability-p1 set1 4 -2.43638296 1.14417228 -4.76336727 0.26695725 -7.73526597 -3.61102659 -14.25866513 -8.96126996 -3.4438589 -6.75151006 -7.22725544 -6.94862963 -0.88115675 -3.01079035 -0.82246851 1.177E-9 2.631E-9 5.884E-9 1.316E-8 2.942E-8 6.578E-8 1.471E-7 3.289E-7 7.354E-7 0.000001645 0.0000036769999999 0.000008223 0.00001839 0.00004111 0.00009193 78-87-5 6564 144207560 FNS 1,2-Dichloropropane CC(Cl)CCl Tox21_200362 -NCGC00258254-01 196702685 tox21-ror-cho-viability-p1 set1 4 -1.4886762 -13.03651191 -8.9230577 -0.67199627 -7.76365756 0.93446556 -13.66189833 -5.20826981 -12.79893609 -5.4923515 -5.63349033 -13.30465298 -15.29870593 -6.75384126 -9.07530854 1.188E-9 2.657E-9 5.942E-9 1.3289999999E-8 2.971E-8 6.6439999999E-8 1.486E-7 3.3219999999E-7 7.428E-7 0.0000016609999999 0.000003714 0.000008305 0.00001857 0.00004152 0.00009285 604-75-1 4616 144207898 A A Oxazepam Clc1ccc2NC(=O)C(O)N=C(c2c1)c3ccccc3 Tox21_200700 -NCGC00258709-01 196702687 tox21-ror-cho-viability-p1 set1 4 7.13560826 -0.48227241 2.6911802 6.10703896 2.69083869 3.97211821 7.59194527 5.28234273 1.0999825 0.23741325 2.40552099 -0.14880289 4.42470466 5.16446443 4.70250127 1.156E-9 2.586E-9 5.7819999999E-9 1.293E-8 2.891E-8 6.465E-8 1.446E-7 3.232E-7 7.228E-7 0.000001616 0.0000036139999999 0.000008081 0.000018069999999 0.0000404 0.000090349999999 108-09-8 7908 144208355 FNS 1,3-Dimethylbutylamine CC(C)CC(C)N Tox21_201157 -NCGC00091011-05 196702690 tox21-ror-cho-viability-p1 set1 4 34.3762428541 20.887641244 -5.887641244 15 1.372261 0.6139055801 0.0872406856 -8.36576378 1.77267479 -6.35949137 1.80013883 -7.3056944 -6.45088482 -14.07303437 -5.88891613 -7.77573026 -6.82426437 -6.23662187 0.89322819 -2.59659685 7.31948633 10.33338927 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00163735-04 196703090 tox21-ror-cho-viability-p1 set1 4 6.4816498756 -10.600339528 0.5 -10.100339528 4.9549173134 0.8364572764 0.0050380924 -1.06427514 -1.94550046 -0.90347971 3.98014285 0.68403261 0.57353013 0.56146559 1.48793291 -1.0942432 1.95478642 3.37340841 -9.25621185 -8.44086715 -10.50028294 2.21599396 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00258738-01 196703097 tox21-ror-cho-viability-p1 set1 4 8.7404039877 -7.52913096 0.5 -7.02913096 4.9549173134 0.4956334157 0.2006463378 1.41822623 2.30300734 -0.21594052 -1.55058398 2.14606542 0.49036221 -1.61815821 -2.16297214 0.45980353 3.10832792 2.8977588 -1.93294288 -12.5242758 -1.45482336 -0.20231393 1.1919999999E-9 2.6659999999E-9 5.962E-9 1.333E-8 2.981E-8 6.6649999999E-8 1.49E-7 3.3329999999E-7 7.452E-7 0.0000016659999999 0.000003726 0.000008332 0.00001863 0.00004166 0.00009315 517-28-2 320930 144208384 A A Hematoxylin Oc2cc3C[C@]4(O)COc1c(O)c(O)ccc1[C@@H]4c3cc2O Tox21_201186 -NCGC00256174-01 196701396 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -12.398098016 1 -11.398098016 4.5044702849 0.8980394395 0.0003732924 0.44933357 0.15057152 1.2096662 0.89856893 0.08663823 1.20094023 2.08296465 -0.59568386 1.32625076 2.36220977 0.33476458 1.5116011 -0.14577308 -0.06732896 -8.66508168 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-27-3 62328 144212092 A Ac Terpinyl propionate CCC(=O)OC(C)(C)C1CC=C(C)CC1 Tox21_301775 -NCGC00255181-01 196700977 tox21-ror-cho-viability-p1 set1 -1.2 11.3954069943 -38.4388627 -4 -42.4388627 1.4641 0.9377672303 0.0000275111 -9.38408009 -2.20862178 -2.65871125 0 -2.94888028 -0.02999439 -4.88440369 -10.70696101 0.20970278 -9.56111637 -9.56756285 -15.84523949 -28.63691146 -39.420055 -39.20418612 1.115E-9 2.493E-9 5.574E-9 1.246E-8 2.7869999999E-8 6.2319999999E-8 1.394E-7 3.1159999999E-7 6.9679999999E-7 0.000001558 0.000003484 0.00000779 0.00001742 0.00003895 0.000087099999999 134523-00-5 60823 144212734 A A Atorvastatin O[C@H](CCn1c(c(c(c1C(C)C)C(=O)Nc2ccccc2)c3ccccc3)c4ccc(F)cc4)C[C@@H](O)CC(=O)O Tox21_302417 -NCGC00091009-05 196700978 tox21-ror-cho-viability-p1 set1 4 2.58533958 2.6601714 -1.53663641 4.18896396 -0.39800772 3.49048215 3.49411479 -1.106335 3.20145841 1.70576048 0.59012454 -2.13920569 2.33593256 0.87668464 -1.27834773 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00255359-01 196701384 tox21-ror-cho-viability-p1 set1 4 -0.91345924 1.95806163 1.4359191 0.75494284 -0.19118403 5.61444298 1.17176893 2.2244516 1.2803592 1.55637544 2.50851247 0.45745458 -0.89503836 5.84960474 0.17890008 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-07-0 8416 144211840 A A N-Phenyldiethanolamine OCCN(CCO)c1ccccc1 Tox21_301523 -NCGC00255235-01 196701397 tox21-ror-cho-viability-p1 set1 4 2.15594904 1.78694304 0.39400199 1.1996125 0.53775819 1.83248232 -0.11342591 -0.61508238 0.88778417 0.96494862 0.49611998 -13.01567519 1.29251241 7.95712123 0.66927614 8.6709999999E-10 1.939E-9 4.335E-9 9.6939999999E-9 2.168E-8 4.8469999999E-8 1.0839999999E-7 2.424E-7 5.419E-7 0.000001212 0.00000271 0.000006059 0.00001355 0.000030299999999 0.00006774 26040-51-7 117291 144212721 A Ac Bis(2-ethylhexyl) tetrabromophthalate Brc1c(c(c(Br)c(Br)c1Br)C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC Tox21_302404 -NCGC00258088-01 196701797 tox21-ror-cho-viability-p1 set1 4 4.16052648 0.34570778 2.43397582 2.43042384 4.35558173 5.9383739 6.49078621 6.44145622 2.25937664 0.24031449 9.45596959 1.1920772 3.47490681 0.64237193 0.23360507 1.182E-9 2.6429999999E-9 5.9109999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.304E-7 7.3889999999E-7 0.0000016519999999 0.0000036939999999 0.000008261 0.000018469999999 0.000041299999999 0.000092359999999 141-82-2 867 144207732 FNS Propanedioic acid O=C(O)CC(=O)O Tox21_200534 -NCGC00258746-01 196702206 tox21-ror-cho-viability-p1 set1 4 4.31834624 -7.19355541 -0.3401893 4.70063195 -0.34896598 1.01190844 -0.75421536 0.79907464 1.11888647 -0.07284403 0.26996767 4.81267264 6.09149778 0.2506088 2.72472682 1.213E-9 2.7119999999E-9 6.0629999999E-9 1.3559999999E-8 3.0319999999E-8 6.779E-8 1.516E-7 3.39E-7 7.579E-7 0.000001695 0.0000037899999999 0.000008474 0.00001895 0.000042369999999 0.000094739999999 306-37-6 9380 144208392 FNS 1,2-Dimethylhydrazine dihydrochloride Cl.Cl.CNNC Tox21_201194 -NCGC00258204-01 196702222 tox21-ror-cho-viability-p1 set1 4 0.0252799812 -8.1589219001 -1.2178709479 -9.376792848 0.8999999999 0.595627264 0.1154736869 -0.59822579 -3.44898906 -1.69125485 -7.77419718 -3.40076481 -3.73340925 -11.56399404 -8.54391639 -10.16603185 -9.03367666 -11.26101301 -9.92587259 -10.47151026 -4.45925724 -5.05405716 1.218E-9 2.7239999999E-9 6.092E-9 1.3619999999E-8 3.046E-8 6.811E-8 1.5229999999E-7 3.405E-7 7.6149999999E-7 0.000001703 0.0000038069999999 0.0000085139999999 0.000019039999999 0.00004257 0.00009518 598-78-7 11734 144207848 A B 2-Chloropropanoic acid CC(Cl)C(=O)O Tox21_200650 -NCGC00091009-05 196702638 tox21-ror-cho-viability-p1 set1 4 48.9356919594 -23.418918852 0 -23.418918852 3.1319983358 0.527648482 0.1541429515 -7.668173 3.6711494 -2.53279841 -0.59136633 5.54842013 -4.87268537 -5.75360086 -5.20741955 11.43124916 3.13995588 -0.91088362 3.90531883 0.40238756 -7.9595624 -19.51576571 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00258648-01 196702642 tox21-ror-cho-viability-p1 set1 4 0.5046971 2.82437141 0.08773613 3.2893336 1.38398987 0.54465314 0.07368201 4.03292819 -1.6947512 1.49206148 -1.65073137 1.07103593 4.08989743 -0.05642289 -1.14563437 1.144E-9 2.5579999999E-9 5.72E-9 1.2789999999E-8 2.8599999999E-8 6.395E-8 1.4299999999E-7 3.197E-7 7.1489999999E-7 0.0000015989999999 0.000003575 0.000007993 0.00001787 0.00003997 0.00008937 13360-63-9 25914 144208294 FNS N-Ethyl-N-butylamine CCNCCCC Tox21_201096 -NCGC00260511-01 196703039 tox21-ror-cho-viability-p1 set1 4 0.46110974 -3.04773081 0.60160557 -4.1596884 -1.69175385 -3.62012574 -4.40174369 -3.15959692 1.51379791 -2.32157151 0.65114391 -0.3911475 -0.64997689 -10.77123244 -5.37289707 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.0000082699999999 0.000018489999999 0.00004135 0.000092459999999 1468-95-7 73848 144210163 C F 9-Anthracenemethanol OCc2c3ccccc3cc1ccccc12 Tox21_202965 -NCGC00258129-01 196729256 tox21-ror-cho-viability-p1 set3 4 -0.40544287 -3.02714529 -6.44273829 -2.93912736 -3.88155351 -3.10709626 0.50157034 -7.19200937 -4.34379382 -0.68280747 -2.70807967 -3.82372508 1.38296723 -1.07281266 0.49900212 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 344774-05-6 16218739 144207773 B B Triisobutylmethylphosphonium tosylate Cc1ccc(cc1)S(=O)([O-])=O.CC(C)C[P+](C)(CC(C)C)CC(C)C Tox21_200575 -NCGC00255111-01 196728857 tox21-ror-cho-viability-p1 set3 -1.1 8.6349217992 -69.7827604204 -1.0243897579 -70.8071501783 1.1340999999 0.992515169 1E-10 3.2928326 -4.61641671 -1.61921853 -3.2754624 -2.59539004 -0.55134931 -1.59101303 -4.42090588 -3.21122887 -10.35346896 -19.14818404 -37.01240421 -47.49104254 -61.83574584 -66.95106498 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 129-17-9 8507 144212468 A Ac Sulfan blue [Na+].CC/[N+](CC)=C1/C=C/C(C=C1)=C(/c2ccc(cc2)N(CC)CC)c3ccc(cc3S([O-])(=O)=O)S([O-])(=O)=O Tox21_302151 -NCGC00255839-01 196728860 tox21-ror-cho-viability-p1 set3 4 2.66666934 -3.45719885 0.75259753 -1.19465323 2.7958082 1.31220301 3.63387019 0.04280217 3.01117574 -1.17363215 2.18903538 -3.47273489 0.0758886 -1.29416685 -3.55369971 1.149E-9 2.569E-9 5.7449999999E-9 1.285E-8 2.8729999999E-8 6.4229999999E-8 1.436E-7 3.212E-7 7.182E-7 0.000001606 0.000003591 0.0000080289999999 0.00001795 0.00004015 0.000089769999999 97-78-9 7348 144211669 A A N-Dodecanoyl-N-methylglycine O=C(CCCCCCCCCCC)N(C)CC(=O)O Tox21_301352 -NCGC00258179-01 196715312 tox21-ror-cho-viability-p1 set2 4 0.42430074 5.88207982 0.6334718 -5.41169663 1.96547679 -0.85434602 3.69303407 3.97460432 4.10382495 3.84855589 -4.15946711 -9.07750515 0.28778071 2.63022448 0.77870174 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.2869999999E-7 7.351E-7 0.0000016439999999 0.0000036749999999 0.000008218 0.000018379999999 0.00004109 0.00009188 223436-99-5 53316417 144207823 Ac 1-Ethyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide C[N+]1(CC)CCCC1.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F Tox21_200625 -NCGC00254081-01 196714916 tox21-ror-cho-viability-p1 set2 4 -0.03889935 0.06671733 -1.3515747 2.94944535 0.53876303 1.14696277 2.8792284 -0.07896515 -0.53485739 3.39824282 -1.61990526 5.55367774 5.30233529 3.53966431 0.13372998 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 313994-79-5 5481119 144210543 A A MK-578 CCn5nc(Cc1ccccc1)cc5C4CCN(C[C@H]3C[C@@H](C[C@@H]3c2cccc(F)c2)N(C)[C@@H](C(=O)O)C(C)C)CC4 Tox21_300223 -NCGC00254133-01 196714920 tox21-ror-cho-viability-p1 set2 4 -1.38009353 -0.23364488 -0.83124356 -0.89643142 -1.58018282 0.013303 0.24247547 0.51568274 -2.64396762 -3.09389333 0.16834887 3.76669542 -0.32188181 0.4106223 4.30290384 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-07-7 7367 144210501 BC Ac Benzotrichloride ClC(Cl)(Cl)c1ccccc1 Tox21_300181 -NCGC00258690-01 196715314 tox21-ror-cho-viability-p1 set2 4 -0.24485352 1.20170699 0.64976657 0.03816509 4.23993978 2.93360277 2.33670582 -0.16027963 2.48868363 -0.01950908 -0.63975219 3.90240763 -1.58883137 -0.78694963 3.89279072 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.635E-8 1.484E-7 3.317E-7 7.4179999999E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.000041469999999 0.000092719999999 609-14-3 701 144208336 A B Ethyl-2-methyl acetoacetate O=C(C)C(C)C(=O)OCC Tox21_201138 -NCGC00258425-01 196715336 tox21-ror-cho-viability-p1 set2 4 -0.96216882 -0.95360229 0.01030101 -0.32268098 -1.33896189 -1.94570128 -0.4057146 -1.02891812 -1.06861395 -1.19798597 -0.80357156 -1.4061936 1.48035004 0.96599474 0.33784308 1.2249999999E-9 2.7399999999E-9 6.1269999999E-9 1.37E-8 3.063E-8 6.85E-8 1.532E-7 3.425E-7 7.658E-7 0.0000017119999999 0.000003829 0.0000085619999999 0.000019149999999 0.00004281 0.000095729999999 930-22-3 13586 144208069 FNS 1,2-Epoxy-3-butene C=CC1CO1 Tox21_200871 -NCGC00258538-01 196715731 tox21-ror-cho-viability-p1 set2 4 75.2402571713 -12.437867764 -1.5 -13.937867764 4.9549173134 0.7061989924 0.0363695916 -0.67512472 1.02483132 -2.94117741 -0.43787878 -0.67577523 -1.56798828 -4.80988797 -0.84371589 -3.0737866 -2.67054399 -2.87442014 0.18950112 -0.97993844 -0.66415082 -10.78155647 1.158E-9 2.5899999999E-9 5.792E-9 1.2949999999E-8 2.896E-8 6.4759999999E-8 1.448E-7 3.238E-7 7.241E-7 0.0000016189999999 0.00000362 0.000008095 0.0000181 0.000040479999999 0.00009051 101-79-1 7578 144208183 A A 4-Chloro-4'-aminodiphenyl ether Clc2ccc(Oc1ccc(N)cc1)cc2 Tox21_200985 -NCGC00258461-01 196715732 tox21-ror-cho-viability-p1 set2 4 0.43104924 1.26999624 0.17098429 -0.15688619 2.49086803 -3.15328272 1.23478758 -4.70622064 -2.23953477 2.14578062 -4.27150574 1.25060213 -3.75336588 -0.48514626 -2.08372221 1.194E-9 2.6689999999E-9 5.969E-9 1.335E-8 2.9839999999E-8 6.6729999999E-8 1.4919999999E-7 3.337E-7 7.4609999999E-7 0.000001668 0.0000037309999999 0.000008342 0.00001865 0.00004171 0.00009326 500-64-1 5281565 144208105 A A Kavain O=C2C=C(C[C@H](/C=C/c1ccccc1)O2)OC Tox21_200907 -NCGC00257600-01 196715735 tox21-ror-cho-viability-p1 set2 4 -2.23289397 -0.40084899 0.67574535 -2.10374998 -0.67533676 -0.27235393 -4.71802477 -2.85677159 0.00359043 -1.04524398 0.13536816 0.16427547 0.17039181 -1.44321094 2.49404925 1.164E-9 2.602E-9 5.819E-9 1.301E-8 2.91E-8 6.506E-8 1.4549999999E-7 3.253E-7 7.274E-7 0.0000016269999999 0.0000036369999999 0.0000081329999999 0.00001819 0.000040659999999 0.00009093 143-23-7 8924 144207244 FC N-(6-Aminohexyl)hexane-1,6-diamine NCCCCCCNCCCCCCN Tox21_200046 -NCGC00257645-01 196715737 tox21-ror-cho-viability-p1 set2 4 0.00272876 4.66637239 -5.68863914 0.1003371 3.7185758 -1.23107956 1.65998394 -1.67676704 -0.99202042 -2.34523267 -0.22498411 0.25598564 2.1367982 1.79950871 0.20883691 1.173E-9 2.622E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.3299999999E-7 0.0000016389999999 0.000003665 0.000008195 0.00001832 0.000040969999999 0.00009162 80-30-8 6633 144207289 A A N-Cyclohexyl-4-methylbenzenesulfonamide O=S(=O)(NC1CCCCC1)c2ccc(C)cc2 Tox21_200091 -NCGC00260135-01 196712011 tox21-ror-cho-viability-p1 set2 -2.4 30.4087930863 -28.418374716 -3 -31.418374716 3.5117481694 0.8227571141 0.0047631077 -0.71077691 -1.08589271 -2.80319631 -2.75356546 -2.16183132 -2.3661439 -1.11558105 -5.57637717 -3.72969789 -4.8249796 -11.18615039 0 0 -10.14953571 -26.18197893 5.9909999999E-10 1.34E-9 2.996E-9 6.698E-9 1.498E-8 3.349E-8 7.4889999999E-8 1.675E-7 3.7449999999E-7 8.373E-7 0.000001872 0.0000041859999999 0.000009361 0.000020929999999 0.00004681 598-64-1 221511 144209785 F Dimethyldithiocarbamic acid, dimethylamine CNC.CN(C)C(=S)S Tox21_202587 -NCGC00357071-01 196711595 tox21-ror-cho-viability-p1 set2 4 -1.75752315 0.50142151 -9.26362908 -3.95433256 -7.26009048 -17.39682255 -13.88059006 -13.46519773 0 0 -23.92174085 0 0 -2.4224021 -18.59754363 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 544-01-4 10989 251919908 Fns Isoamyl ether CC(C)CCOCCC(C)C Tox21_303780 -NCGC00260581-01 196711596 tox21-ror-cho-viability-p1 set2 4 23.7101376556 -22.688454632 -2.397741684 -25.086196316 0.3 0.4928162581 0.1851492591 -1.99811807 -3.11722886 -2.16889368 -5.77759822 -2.2020972 -10.44667744 -3.95149564 -7.78569665 -3.77824686 -12.76898627 -15.8569475 -3.78638808 -5.598524 -15.13284346 -19.23849693 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49477 144210234 M M NTP Mix41 CT1 3-EQP Tox21_203036 -NCGC00260250-01 196711599 tox21-ror-cho-viability-p1 set2 2.4 61.4415298105 22.4933140041 0.5066859959 23 1.0999999999 0.8468811345 0.002502471 -0.35684171 0.85053654 -0.82776167 0.52528025 -0.63273904 -0.23400878 -0.09021907 3.21600363 1.83396536 2.35239238 1.87331938 4.45907036 4.62934963 5.57493927 18.10498027 1.185E-9 2.6499999999E-9 5.9249999999E-9 1.325E-8 2.9629999999E-8 6.625E-8 1.481E-7 3.312E-7 7.406E-7 0.000001656 0.0000037029999999 0.000008281 0.00001852 0.0000414 0.00009258 93457-69-3 11009532 144209900 A A 1-Butyl-1-methylpyrrolidinium bromide [Br-].CCCC[N+]1(C)CCCC1 Tox21_202702 -NCGC00260507-01 196703938 tox21-ror-cho-viability-p1 set1 4 1.60422032 -1.40554294 -0.3696696 -0.04846425 2.3562285 -0.55573686 4.92819935 2.7224368 0.20082426 0.90249563 4.43750039 -0.54402349 0.31163188 2.29851046 3.91128909 1.191E-9 2.663E-9 5.954E-9 1.331E-8 2.977E-8 6.657E-8 1.489E-7 3.3279999999E-7 7.4429999999E-7 0.0000016639999999 0.000003721 0.0000083209999999 0.00001861 0.000041609999999 0.00009303 10373-78-1 25208 144210159 Ac Fc (+)Camphorquinone CC2(C)C1CCC2(C)C(=O)C1=O Tox21_202961 -NCGC00357132-01 196703931 tox21-ror-cho-viability-p1 set1 4 0.05027146 1.76180439 1.62878428 7.50228128 4.61786289 -11.07987102 0.45662239 3.65439355 1.13800968 -0.40476616 4.97784642 -1.33332612 1.59347952 1.91370251 1.31622375 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 65983-31-5 20607916 251919807 A 2-(3a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoinden-8-yloxy)ethyl prop-2-enoate C=CC(=O)OCCOC3C1CCC3C2CC=CC12 Tox21_303870 -NCGC00260534-01 196703936 tox21-ror-cho-viability-p1 set1 4 -2.23388099 -5.28291379 -10.27568225 -8.4767195 -8.82933322 -15.85625321 -3.34364784 -4.91719284 -1.57530718 -6.88576129 -6.97951854 -8.66693026 -3.06671234 -6.75121547 -22.9147758 1.213E-9 2.713E-9 6.067E-9 1.357E-8 3.034E-8 6.7829999999E-8 1.517E-7 3.3919999999E-7 7.5839999999E-7 0.000001696 0.0000037919999999 0.000008479 0.00001896 0.000042399999999 0.000094799999999 98-29-3 7381 144210187 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_202989 -NCGC00357179-01 196703937 tox21-ror-cho-viability-p1 set1 4 -0.12502093 0.74710858 2.59222033 1.94087321 -7.62205177 -0.56795961 4.47821789 0.39776555 -0.0907529 0.23780895 6.1360152 0.85804282 1.08443847 1.91612634 4.20187362 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 591-22-0 11565 251919912 A 3,5-Dimethylpyridine Cc1cncc(C)c1 Tox21_303943 -NCGC00091011-05 196703940 tox21-ror-cho-viability-p1 set1 4 4.8557733675 4.997923556 -1.497923556 3.5 4.9549173134 0.4007362585 0.2737923845 0.08757899 -0.1709698 0.99807135 -1.51503545 -6.24826963 3.42236979 -0.58215038 -4.05794108 -0.16947434 -5.93421639 -0.75887133 3.61708134 0.66074465 4.74665777 4.21998078 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00357009-01 196703942 tox21-ror-cho-viability-p1 set1 4 2.71234153 0.01548853 -2.72465517 -3.61564284 -2.42970335 -3.13941453 6.96823867 3.3454144 2.77002461 4.96582156 -0.11889372 0.42065313 -0.30612438 -0.05535012 4.69042557 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60-25-3 93550 251919802 A N,N,N,N',N',N'-Hexamethylhexane-1,6-diaminium dichloride [Cl-].[Cl-].C[N+](C)(C)CCCCCC[N+](C)(C)C Tox21_303898 -NCGC00094561-06 196704339 tox21-ror-cho-viability-p1 set1 4 -0.00022309 1.15197094 1.53692842 1.63309345 -0.22528638 1.02973268 0.02966721 4.02935923 2.3285771 1.02991749 3.78336476 2.17039186 1.41418628 0.50298406 3.2185197 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26002-80-2 4767 170465585 A Phenothrin C/C(C)=C/C3C(C(=O)OCc2cccc(Oc1ccccc1)c2)C3(C)C Tox21_111297_1 -NCGC00168259-02 196704760 tox21-ror-cho-viability-p1 set1 4 0.16885344 1.94012393 0.98548704 1.37042843 -0.26395243 -0.36968613 -1.19413903 0.59067929 -2.31581144 0.32072178 -1.73199403 -1.67746609 -0.42455301 0.70473498 0.79896638 1.335E-9 2.986E-9 6.6769999999E-9 1.493E-8 3.339E-8 7.465E-8 1.669E-7 3.733E-7 8.3469999999E-7 0.000001866 0.000004173 0.000009332 0.00002087 0.00004666 0.00010429999999 29705-96-2 151318 144206428 A A 4-Bromo-2,5-dimethoxyamphetamine hydrochloride Cl.COc1cc(CCN)c(cc1Br)OC Tox21_112875 -NCGC00094887-05 196704769 tox21-ror-cho-viability-p1 set1 4 -0.12863533 -0.83180989 3.50275166 4.37940648 0.56751659 -0.81750911 -0.70987311 -0.62138267 -1.47834004 -1.42449771 0.83518431 -0.20969319 -1.68510951 -0.41145698 -0.22309671 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71720-56-4 6604557 170465299 A Fenoprofen calcium salt dihydrate [Ca+2].O.O.[O-]C(=O)[C@@H](C)c2cc(Oc1ccccc1)ccc2.[O-]C(=O)[C@@H](C)c2cc(Oc1ccccc1)ccc2 Tox21_110785_1 -NCGC00257606-01 196702717 tox21-ror-cho-viability-p1 set1 4 -4.69055031 -2.613691 -8.95834116 -3.15432414 -10.82686986 -10.79161275 -6.3891109 -8.70068173 -0.27197964 -7.25131154 -9.38671281 -5.01320671 -8.81123691 -1.60453861 -0.46914484 1.1689999999E-9 2.614E-9 5.845E-9 1.3069999999E-8 2.922E-8 6.535E-8 1.461E-7 3.267E-7 7.306E-7 0.0000016339999999 0.000003653 0.0000081679999999 0.00001826 0.00004084 0.000091319999999 111-86-4 8143 144207250 Fc Fc 1-Octanamine CCCCCCCCN Tox21_200052 -NCGC00258103-01 196702701 tox21-ror-cho-viability-p1 set1 4 3.7722933 0.19555299 0.80204306 8.11705774 1.11847253 3.62115218 -0.53639164 4.0690771 -0.18334109 -2.07951402 1.05558449 4.17042925 0.11942053 6.77795861 -0.7480208 1.1779999999E-9 2.633E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.00000368 0.00000823 0.000018399999999 0.00004115 0.00009201 41351-30-8 56638112 144207747 A A 2,4-Dimethoxy-4'-hydroxy benzophenone COc2cc(ccc2C(=O)c1cccc(O)c1)OC Tox21_200549 -NCGC00258045-01 196702704 tox21-ror-cho-viability-p1 set1 4 -1.24032723 4.72047721 4.49068602 4.60170667 5.04391429 -0.33416403 6.70105875 1.87702782 7.42622239 0.54157384 4.71905451 4.45301064 4.30722653 1.1704968 4.1016372 1.183E-9 2.645E-9 5.913E-9 1.322E-8 2.9569999999E-8 6.611E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.0000082639999999 0.00001848 0.00004132 0.0000924 474-25-9 10133 144207689 A A Chenodeoxycholic acid O=C(O)CC[C@@H](C)[C@H]4CC[C@@H]1[C@]4(C)CC[C@@H]2[C@@]3(C)CC[C@@H](O)C[C@H]3C[C@@H](O)[C@@H]12 Tox21_200491 -NCGC00090962-05 196702709 tox21-ror-cho-viability-p1 set1 4 54.1504058934 -11.48030202 0.5 -10.98030202 3.9294729863 0.4913872156 0.1876112069 4.84231639 2.98955218 -4.03638093 -0.40857635 2.20011156 -2.07703253 5.7739937 -0.97049117 -1.57101144 1.56753111 1.3651276 -2.85241606 2.37198957 -2.57319142 -9.56691835 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00091284-03 196703472 tox21-ror-cho-viability-p1 set1 4 0.0273060203 -4.4455781519 0.5 -3.9455781519 3.1319983358 0.3178384426 0.3531308859 -0.77282194 -0.53419285 3.02347426 -1.10215981 -0.19769465 -9.95464846 -1.01506432 -6.31580674 -4.6928704 -3.47697259 0.07945318 -6.91174028 -2.75479964 -0.04281133 -7.60069525 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00090965-04 196703051 tox21-ror-cho-viability-p1 set1 4 0.0015355304 -11.4140011759 10.5 -0.9140011759 4.9549173134 0.3081228518 0.3760201433 7.96987139 -0.17835842 -0.20756569 4.86790856 -6.8715218 4.33810672 -2.39576979 -0.16992121 -2.21722962 -0.08755225 -0.12607009 -0.45051343 -9.09500098 -0.1701025 0.08612127 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00357199-01 196703458 tox21-ror-cho-viability-p1 set1 4 -1.80371115 2.49719409 1.3147702 3.77078646 1.39320997 2.18889765 3.77243831 -2.33888258 4.57880329 -1.97113791 3.09025121 1.1299382 0.1805983 1.01708466 -3.81555262 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-13-8 6871 251919960 A Diethyl ethoxymethylenemalonate O=C(OCC)C(=C\OCC)\C(=O)OCC Tox21_303975 -NCGC00260166-01 196703465 tox21-ror-cho-viability-p1 set1 4 0.51001321 -0.19454567 1.46369653 1.41981264 0.31362221 -0.55628073 6.06337747 5.05793837 3.19207837 0.95442355 5.53890875 3.12242134 -0.43960816 3.30115456 2.61967202 1.194E-9 2.67E-9 5.9699999999E-9 1.335E-8 2.985E-8 6.6739999999E-8 1.4919999999E-7 3.337E-7 7.4619999999E-7 0.000001669 0.0000037309999999 0.000008343 0.00001866 0.00004171 0.00009328 65039-05-6 11448496 144209816 A 1-Butyl-3-methylimidazolium iodide [I-].CCCCn1cc[n+](C)c1 Tox21_202618 -NCGC00260195-01 196703883 tox21-ror-cho-viability-p1 set1 -2.1 61.6904908231 -115.155140507 -2.3522713999 -117.5074119069 2.9022712143 0.9451340315 0.0000139335 0.49739375 0.91735397 -0.04585898 2.06325169 3.32181316 -1.61717912 7.00603806 -2.18133533 -7.75398763 -7.60123835 -10.06414393 -9.57035162 -15.35814219 -25.67823965 -91.51667594 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.971E-8 6.6439999999E-8 1.486E-7 3.3219999999E-7 7.429E-7 0.0000016609999999 0.000003714 0.000008305 0.00001857 0.00004153 0.00009286 244193-64-4 18506491 144209845 A A 1-Hexadecyl-3-methylimidazolium tetrafluoroborate F[B-](F)(F)F.C[n+]1ccn(CCCCCCCCCCCCCCCC)c1 Tox21_202647 -NCGC00260636-01 196703884 tox21-ror-cho-viability-p1 set1 4 1.7874725 3.12116763 0.93824234 2.08979379 -0.86692011 0.9700115 4.64282823 3.3288561 5.16356766 0.74601308 -0.34744288 0.59044888 3.6668886 1.29507722 0.94759259 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49532 144210289 M M NTP Mix112 ER1 10-EQC Tox21_203091 -NCGC00260122-01 196703887 tox21-ror-cho-viability-p1 set1 4 1.37011907 2.5940029 3.04776808 -1.37154549 -11.63181838 -2.30479114 -1.19890888 -1.21615532 0.91854624 -10.38437398 -0.79045153 -11.52435752 -18.64059614 2.01260207 -9.36879434 5.949E-10 1.33E-9 2.975E-9 6.652E-9 1.4869999999E-8 3.3259999999E-8 7.437E-8 1.663E-7 3.718E-7 8.314E-7 0.000001859 0.000004157 0.0000092959999999 0.00002079 0.000046479999999 123-94-4 24699 144209771 A Ac 1-Stearoyl-rac-glycerol OCC(O)COC(=O)CCCCCCCCCCCCCCCCC Tox21_202573 -NCGC00015273-19 196704307 tox21-ror-cho-viability-p1 set1 4 -0.90890417 -3.3835652 -5.2549626 -2.07657931 1.76008975 1.38536624 -3.38163908 0.5357989 -1.48364607 0.21665678 1.19922423 0.1036207 -1.70530464 0.06498511 -5.47641654 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-53-3 2726 170465371 A Chlorpromazine CN(C)CCCN1c3ccccc3Sc2ccc(Cl)cc12 Tox21_110120_1 -NCGC00253573-01 196704311 tox21-ror-cho-viability-p1 set1 4 5.9557173066 -24.8029421479 3.5 -21.3029421479 0.3 0.6955607877 0.0402341434 0.69989776 2.25048938 0.21781945 2.36147844 0.71843343 -0.44224914 -0.25847843 -1.09072852 -6.61254896 -8.19581621 -12.82871117 -2.45340305 -6.9682435 -6.99194253 -17.75245179 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103475-41-8 59757 170466265 A A Tepoxalin CN(O)C(=O)CCc2cc(c1ccc(Cl)cc1)n(n2)c3ccc(OC)cc3 Tox21_113717 -NCGC00356958-01 196703071 tox21-ror-cho-viability-p1 set1 4 0.00818857 -8.95474262 -4.08364848 1.63960085 -7.34521462 -1.98544902 -1.06756228 -4.55261264 2.75003822 -0.65783343 0.95480901 -0.63022288 -0.55762883 -11.37126185 1.14613098 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17420-30-3 28532 251919744 A 2-Amino-5-nitrobenzonitrile N#Cc1cc(ccc1N)[N+]([O-])=O Tox21_304032 -NCGC00257700-01 196702667 tox21-ror-cho-viability-p1 set1 4 3.71629168 0.76053385 1.92241921 2.57994171 3.41496589 -0.26029321 3.72411133 2.74390225 3.23671508 1.37094346 2.00911017 1.81756504 -1.47668572 -1.05427061 0.93556976 1.1839999999E-9 2.648E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.619E-8 1.4799999999E-7 3.309E-7 7.4E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.0000925 105-05-5 7734 144207344 AC Fc 1,4-Diethylbenzene CCc1ccc(CC)cc1 Tox21_200146 -NCGC00258169-01 196702671 tox21-ror-cho-viability-p1 set1 4 0.01560978 -0.75964248 -0.16539849 -1.11728921 -1.17530078 3.6550782 -1.86542551 -0.10078894 -1.01077974 -0.6840175 0.08603151 -3.11159162 6.00301114 5.69600455 -1.60575338 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.6299999999E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008287 0.00001853 0.000041439999999 0.00009265 56511-17-2 11076461 144207813 A A 1-Butyl-1-methylpyrrolidinium iodide [I-].CCCC[N+]1(C)CCCC1 Tox21_200615 -NCGC00260531-01 196703069 tox21-ror-cho-viability-p1 set1 -1.2 9.7378262331 -31.388171652 -4 -35.388171652 1.21 0.9004964057 0.0003142936 -1.30993852 -0.65202639 -9.67517412 -6.28816153 -1.66866276 2.13618047 -8.92303246 -4.18193077 -8.90119803 -6.92386453 -8.07912423 -16.97071129 -30.22628932 -30.6631136 -31.15680971 1.185E-9 2.6499999999E-9 5.9249999999E-9 1.325E-8 2.9629999999E-8 6.625E-8 1.481E-7 3.312E-7 7.406E-7 0.000001656 0.0000037029999999 0.000008281 0.00001852 0.0000414 0.00009258 148-24-3 1923 144210184 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_202986 -NCGC00259473-01 196724220 tox21-ror-cho-viability-p1 set3 4 -1.8839989 -2.90715496 3.53131678 1.84274917 6.84559073 4.02774621 6.04720802 3.89059754 4.34920327 4.99739996 4.7596091 2.32051937 3.1986867 2.60717499 3.01639132 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.2869999999E-7 7.351E-7 0.0000016439999999 0.0000036749999999 0.000008218 0.000018379999999 0.00004109 0.00009188 67-20-9 4509 144209122 A A Nitrofurantoin O=[N+]([O-])c2ccc(/C=N/N1CC(=O)NC1=O)o2 Tox21_201924 -NCGC00260227-01 196724203 tox21-ror-cho-viability-p1 set3 4 0.0342713929 9.64925802 -9.64925802 0 4.9549173134 0.6707050332 0.0526676433 -1.81445597 -8.430583 -14.29104835 -13.38808152 -6.66091665 0.24272863 -0.97472478 1.23339133 -0.30208056 2.3650021 3.17382348 -1.52644365 -0.39273883 0.20785595 -3.73108166 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.3529999999E-7 0.0000016439999999 0.0000036769999999 0.000008221 0.000018379999999 0.00004111 0.00009192 26576-85-2 12248306 144209877 A Z 1-Butyl-3-methylpyridinium bromide [Br-].Cc1ccc[n+](CCCC)c1 Tox21_202679 -NCGC00090721-03 196724201 tox21-ror-cho-viability-p1 set3 4 0.0015355304 9.536128796 -8.036128796 1.5 4.9549173134 0.3747925793 0.2989782417 -6.28010733 2.35397946 -0.87562944 2.63115774 5.64083578 4.38771049 0.15366957 1.72426042 3.33934574 4.96890669 -3.96674198 -1.17025218 0.40451518 0.11786321 3.76518267 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00260112-01 196724209 tox21-ror-cho-viability-p1 set3 4 0.0195279365 4.6068486879 -2.6068486879 2 4.9549173134 0.3223005358 0.3490128126 -6.75570724 3.8271451 -1.42659912 -5.35114596 4.31188832 -1.28011895 1.87623975 -0.80392901 4.79865037 4.09747761 1.36476951 3.30331563 0.05893017 3.24298692 2.75051405 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.65E-8 1.487E-7 3.325E-7 7.435E-7 0.000001662 0.0000037169999999 0.000008312 0.00001859 0.00004156 0.000092939999999 3327-22-8 18732 144209761 Fns Dextrosil [Cl-].C[N+](C)(C)CC(O)CCl Tox21_202563 -NCGC00260109-01 196724222 tox21-ror-cho-viability-p1 set3 4 -4.93476681 4.34886549 2.37488687 1.69814788 4.31810554 -2.08382761 -2.27278601 -5.96063984 -7.30462243 1.61185025 0.6296663 -6.28473855 -4.90602777 0.7793256 6.19303168 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.61E-8 1.4779999999E-7 3.305E-7 7.3899999999E-7 0.0000016519999999 0.0000036949999999 0.000008262 0.000018469999999 0.00004131 0.00009237 825-90-1 4379756 144209758 A A Monosodium 4-phenolsulfonate [Na+].Oc1ccc(cc1)S(=O)([O-])=O Tox21_202560 -NCGC00260048-01 196724620 tox21-ror-cho-viability-p1 set3 4 26.6573385754 -17.312402224 2.5 -14.812402224 1.8579476909 0.52718061 0.1551764159 -4.6112053 -2.12003638 -1.57197717 2.4173516 3.31902219 4.92199396 4.3088579 8.19706167 2.59101553 4.15707929 4.37875876 4.95513394 -2.99705784 -2.00932518 -11.09366852 5.909E-10 1.3209999999E-9 2.955E-9 6.607E-9 1.477E-8 3.303E-8 7.387E-8 1.652E-7 3.693E-7 8.2579999999E-7 0.0000018469999999 0.000004129 0.000009233 0.000020649999999 0.00004617 481-74-3 10208 144209697 F F Chrysophanic acid Oc3cccc2C(=O)c1cc(C)cc(O)c1C(=O)c23 Tox21_202499 -NCGC00357192-01 196724627 tox21-ror-cho-viability-p1 set3 4 0.2433651621 -8.5631498399 1.5 -7.0631498399 4.9549173134 0.5991260701 0.1119866592 -5.99567053 -2.19548821 1.27556663 0.30029603 3.0038666 7.02760546 5.72048782 -7.64215351 -6.76818674 -4.52595807 -7.13895954 -6.37683511 -5.69738985 -9.6359582 3.12123046 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_57890 251919991 Anti-OP-18/Stathmin antibody produced in rabbit Tox21_303959 -NCGC00260144-01 196724629 tox21-ror-cho-viability-p1 set3 4 0.0009539112 16.567213156 -16.067213156 0.5 0.9999999999 0.6771332328 0.04970749 -11.72267763 -3.42584918 -2.79423257 -3.94537411 -2.72202688 1.23328918 0.85283302 1.10933484 -2.26673086 1.57753074 3.69446745 1.25799675 -0.20133056 2.53262536 -3.39225666 5.9509999999E-10 1.3309999999E-9 2.9759999999E-9 6.6539999999E-9 1.488E-8 3.327E-8 7.4389999999E-8 1.663E-7 3.719E-7 8.3169999999E-7 0.00000186 0.000004158 0.0000092989999999 0.00002079 0.00004649 59536-65-1 158629 144209794 F F Polybrominated biphenyls (PBB) Brc2ccc(c1cc(Br)c(Br)c(Br)c1)c(Br)c2Br Tox21_202596 -NCGC00257894-01 196730506 tox21-ror-cho-viability-p1 set3 4 11.1254798861 5.5767637919 -3.0767637919 2.5 4.9549173134 0.4536667622 0.2233830628 -2.50558374 -0.1026667 -0.96460392 -3.22535665 -1.5096822 -4.98551544 -5.37019564 0 0 -5.58796651 -8.39730316 -1.97376407 3.76481015 2.94002052 0.82513247 1.203E-9 2.6889999999E-9 6.014E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003759 0.000008404 0.000018789999999 0.00004202 0.000093959999999 610-14-0 11875 144207538 A B 2-Nitrobenzoyl chloride O=[N+]([O-])c1ccccc1C(Cl)=O Tox21_200340 -NCGC00257859-01 196730095 tox21-ror-cho-viability-p1 set3 4 -0.10965531 -8.12111018 1.33000515 1.55796269 3.52127411 -6.14170793 2.85629614 -7.74670295 -4.91135738 -7.35879335 -14.73048178 0 3.59079499 0.97292363 6.2862935 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.495E-8 1.4519999999E-7 3.2479999999E-7 7.2619999999E-7 0.000001624 0.0000036309999999 0.000008119 0.000018149999999 0.0000406 0.000090769999999 2243-76-7 5918804 144207503 A A Alizarin Yellow R OC(=O)c1cc(ccc1O)/N=N/c2ccc(cc2)[N+]([O-])=O Tox21_200305 -NCGC00257885-01 196730100 tox21-ror-cho-viability-p1 set3 4 -0.73007527 -32.72130001 2.07689716 -1.66763785 -27.13055052 -25.53037664 -25.58610483 -26.10529073 0 -3.67746889 0 -3.05378872 -14.13375344 -9.7281744 -7.79355567 1.162E-9 2.598E-9 5.808E-9 1.299E-8 2.9039999999E-8 6.494E-8 1.4519999999E-7 3.247E-7 7.2599999999E-7 0.000001623 0.0000036299999999 0.000008117 0.000018149999999 0.00004059 0.00009076 563-58-6 11245 144207529 FNS 1,1-Dichloropropene C\C=C(\Cl)Cl Tox21_200331 -NCGC00257806-01 196730107 tox21-ror-cho-viability-p1 set3 4 6.8241009061 -12.597820968 11.5 -1.097820968 4.9549173134 0.8190976665 0.0052141296 12.44855292 9.09208222 13.86810594 11.21054181 11.70947918 14.2281974 12.59617348 5.43148359 13.55821205 8.38685049 14.72659127 2.23997409 0.0331128 -0.24366592 -2.99818414 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.569E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003672 0.0000082119999999 0.000018359999999 0.00004106 0.00009181 621-42-1 12124 144207450 A A 3-Acetamidophenol Oc1cccc(NC(C)=O)c1 Tox21_200252 -NCGC00015906-04 196713269 tox21-ror-cho-viability-p1 set2 4 1.09951212 -0.95078598 0.4005279 -2.23516343 -0.06249602 2.55553809 0.02125546 1.31149829 0.75194095 -1.23316166 -0.44176579 2.59241076 2.62432376 1.70323463 6.17344637 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5464-78-8 9899402 170466663 A 1-(2-Methoxyphenyl)piperazine hydrochloride Cl.COc1ccccc1N2CCNCC2 Tox21_111273_1 -NCGC00248061-02 196717398 tox21-ror-cho-viability-p1 set2 4 -2.01343951 -0.18000723 1.63731694 3.29763625 4.87311693 5.92527426 8.31867174 5.73557081 -1.28558397 -1.55942868 2.63640985 0.77404059 -0.45914454 1.95467122 2.30483693 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112733-06-9 5724 170466650 A A Zenarestat Brc3ccc(CN2C(=O)c1ccc(Cl)cc1N(CC(=O)O)C2=O)c(F)c3 Tox21_113652 -NCGC00166125-02 196712860 tox21-ror-cho-viability-p1 set2 4 -0.29940356 -0.80688036 -4.09563607 -4.37363402 0.81919372 0.65738961 0.18933498 -1.05645057 0.91308487 0.96342912 -5.08282158 -0.01748936 0.27395009 0.41106921 1.88706874 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6284-40-8 8567 170465359 Z Meglumine O[C@H]([C@@H](O)CNC)[C@H](O)[C@H](O)CO Tox21_112330_1 -NCGC00262968-01 196713259 tox21-ror-cho-viability-p1 set2 4 0.08821478 -0.49164249 0.9363088 -2.58436032 -2.58676561 -3.11869213 -2.81679773 -6.97877241 -4.19968994 -3.86700668 -3.56725036 0.5635763 -0.71130772 -4.64553655 -5.5322865 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 29608-49-9 6918543 170466171 A A Almitrine dimethanesulfonate CS(=O)(=O)O.CS(=O)(=O)O.Fc1ccc(cc1)C(c2ccc(F)cc2)N3CCN(CC3)c4nc(NCC=C)nc(NCC=C)n4 Tox21_113959 -NCGC00163843-03 196713268 tox21-ror-cho-viability-p1 set2 4 -4.20372074 -5.68648387 -4.36114324 -5.24170626 -6.67212944 -6.61640835 -4.17272895 -1.26065272 -1.4093141 -4.67117963 -2.09181197 0.02354581 -3.23042508 -1.12302536 -1.63141873 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00166088-02 196713274 tox21-ror-cho-viability-p1 set2 4 5.9557173066 -17.832865168 3.5 -14.332865168 0.4 0.7460248606 0.0270167008 4.87037817 5.37557993 0.23342621 4.83221506 -0.5193443 -0.783323 0.38410219 -0.39393066 0.10008346 0.01909248 -1.75034902 -3.41488646 -10.27738764 -6.71265989 -2.01037366 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2353-33-5 451668 170465126 A Decitabine NC1=NC(=O)N(C=N1)[C@H]2C[C@H](O)[C@@H](CO)O2 Tox21_112311_1 -NCGC00253867-02 196713275 tox21-ror-cho-viability-p1 set2 4 -1.26966363 -2.76456166 -0.95669842 -2.96526547 0.3418246 -2.45822666 -1.04991466 -2.33283586 -1.83496527 0.32281982 -0.91344086 -0.25812622 -0.13380552 -0.68188692 1.4162196 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 179474-81-8 3052762 170466188 A A Prucalopride COCCCN1CCC(CC1)NC(=O)c2cc(Cl)c(N)c3CCOc23 Tox21_113885 -NCGC00016764-04 196713678 tox21-ror-cho-viability-p1 set2 4 -5.80926796 -4.65844062 -5.61189146 -6.59877421 -5.7508418 -1.89787048 -1.18183743 0.25568725 -3.10090838 -4.63953296 -1.24736844 -2.52433866 -0.54497771 0.20525179 0.21670873 5.899E-11 1.319E-10 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 22457-89-2 2320 170465987 A Benfotiamine Nc2nc(C)ncc2CN(C=O)C(C)=C(CCOP(=O)(O)O)SC(=O)c1ccccc1 Tox21_110597_1 -NCGC00160435-03 196713680 tox21-ror-cho-viability-p1 set2 4 2.3710137656 -6.4256877879 -0.5 -6.9256877879 4.9549173134 0.5292906337 0.1708136782 -0.25992848 -1.75160425 -8.27140649 -0.85963925 0.23298065 1.67966506 -0.11348221 1.15298981 0.67679134 2.2602596 -2.03284323 -7.10699082 -6.69605526 -6.47148967 -1.52509319 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71653-63-9 68909 170466262 A Riodipine CC=1NC(C)=C(C(C=1C(=O)OC)c2ccccc2OC(F)F)C(=O)OC Tox21_111809_1 -NCGC00092310-06 196713686 tox21-ror-cho-viability-p1 set2 4 -0.05579515 -0.7821253 0.85927555 2.95588274 -1.02787911 1.56031896 0.01449911 1.57296709 -0.78734998 2.05014924 2.60015289 3.59212432 1.80610319 1.43377961 -0.90342514 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71675-85-9 2159 170466480 A Amisulpride CCN2CCCC2CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC Tox21_113392_1 -NCGC00016605-08 196713688 tox21-ror-cho-viability-p1 set2 4 -1.01231863 -0.3606618 0.19665159 -0.27679185 -1.20349273 -1.06338091 1.08342598 0.17320169 -0.00017318 1.45939772 0.01311735 0.45870543 -0.14703243 -0.37774246 3.4827 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2139-47-1 4487 170466050 A Nifenazone O=C3C(NC(=O)c1cccnc1)=C(C)N(C)N3c2ccccc2 Tox21_110519_1 -NCGC00090962-05 196714093 tox21-ror-cho-viability-p1 set2 4 10.8707224818 -17.520513828 -2 -19.520513828 0.8999999999 0.7265914419 0.0273682469 -1.58815998 0.16023917 -0.31986628 -11.32110789 -1.62694407 0.06935582 -6.71200766 -1.74027516 -3.97936809 -3.55278256 -7.75768623 -6.97357858 -15.41534844 -14.87525825 -17.10042819 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00261969-01 196704370 tox21-ror-cho-viability-p1 set1 4 11.8832183006 -17.203650648 4 -13.203650648 0.8999999999 0.8314268847 0.0038465313 5.92692949 6.88340132 4.34128422 5.24103835 1.70238317 4.18143395 0.49647144 4.95940722 3.05836569 0.353025 1.29014017 -0.36277803 -0.05324597 -9.30789299 -9.33637554 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 146961-77-5 72187522 170465095 F F Alatrofloxacin mesylate CS(=O)(=O)O.C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@]2(C)[C@@H]1CN(C[C@@H]12)c3nc4c(cc3F)C(=O)C(=CN4c5ccc(F)cc5F)C(=O)O Tox21_113889 -NCGC00259553-01 196706853 tox21-ror-cho-viability-p1 set1 4 -1.80296623 -1.61770477 1.60225997 -0.308696 5.27451158 1.94852496 3.50314975 0.58031741 -21.70196895 0.18458322 0.64817913 3.1141726 2.67270522 1.58181359 2.80421565 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004107 0.00009184 91-20-3 931 144209202 A Ac Naphthalene c1cccc2ccccc12 Tox21_202004 -NCGC00244579-01 196704386 tox21-ror-cho-viability-p1 set1 -2.1 61.130564862 -88.3405449422 -0.147967415 -88.4885123572 3.6272481694 0.993207623 1E-10 -0.05672679 0.59202487 0 4.51867994 -0.66828365 1.30399849 -0.61159218 -1.82611086 -2.22100845 0.87838413 -0.38585913 -0.41213611 -1.64479333 -17.90170922 -71.96099421 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00160482-02 196704364 tox21-ror-cho-viability-p1 set1 4 -5.07729463 0.40047849 0.29282769 -0.11205159 -2.80673118 -8.34407858 -3.42869614 -4.68911239 -0.97303627 -2.57802723 -2.7528966 -1.29910949 -5.00308099 0.5477731 -3.25321722 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 152-47-6 9047 170465930 A Sulfalene COc2nccnc2NS(=O)(=O)c1ccc(N)cc1 Tox21_111844_1 -NCGC00244580-01 196704372 tox21-ror-cho-viability-p1 set1 -2.2 54.4826732819 -38.027371556 -2 -40.027371556 1.4641 0.8478872941 0.0024048762 -0.10498267 -3.33166513 0.5753985 -7.65071812 0.05199859 -3.87004901 -2.98133612 3.09738806 -0.02905815 1.08301751 -8.47653144 -4.33244828 -9.44365665 -13.56217803 -30.02280963 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00016490-12 196704793 tox21-ror-cho-viability-p1 set1 4 2.436603 1.49604883 0.29627456 1.01227169 1.66007954 0.30075646 -1.06964395 1.26888404 -0.67649188 0.13832603 1.42370844 1.94661712 0.18410677 2.17136589 0.31656309 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 530-78-9 3371 170465857 A Flufenamic acid FC(F)(F)c1cc(ccc1)Nc2ccccc2C(=O)O Tox21_110452_1 -NCGC00178944-03 196704796 tox21-ror-cho-viability-p1 set1 4 0.0023710138 8.789062564 -8.289062564 0.5 2.9522712143 0.5911815056 0.104470262 -8.99088547 -5.8630185 -3.42342187 1.40043487 2.99975836 -3.89090291 0.25510929 -2.47396353 1.33075596 -2.08337822 -1.65925107 1.18214623 0.13092248 2.7173961 5.28103045 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69-53-4 6249 170464831 D Ampicillin OC(=O)[C@@H]2N3C(=O)[C@@H](NC(=O)[C@H](N)c1ccccc1)[C@H]3SC2(C)C Tox21_113049_1 -NCGC00253617-01 196704801 tox21-ror-cho-viability-p1 set1 4 4.43418337 0.10489528 3.4448185 0.06519353 -0.07766799 -0.30801577 -0.62697678 3.28200057 1.06447989 -6.75396088 2.16133611 1.45691843 0.0028265 2.81700922 1.04886035 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5006-66-6 72924 170466773 Ac Ac 6-Hydroxynicotinic acid OC(=O)c1cnc(O)cc1 Tox21_113747 -NCGC00262579-02 196704802 tox21-ror-cho-viability-p1 set1 4 0.06122492 0.06809008 0.20058976 -1.07551115 0.2335087 1.29792226 2.52809761 5.41701674 -1.21143428 -0.02755869 1.16893766 0.81259117 1.10659832 0.6323337 0.546776 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 96036-03-2 441130 170464676 D Meropenem O[C@H](C)[C@H]3C(=O)N2C(=C(S[C@H]1C[C@H](NC1)C(=O)N(C)C)[C@H](C)[C@@H]23)C(=O)O Tox21_110715_1 -NCGC00016009-19 196705202 tox21-ror-cho-viability-p1 set1 4 26.6032120037 11.0926944239 -1.0926944239 10 4.9549173134 0.7103845835 0.034342172 -2.77780116 -2.56669808 1.41833708 -2.70825437 -2.99391202 0.98746635 1.2143536 1.26150831 0.80701135 -1.40792966 -0.21526197 -1.82057947 -2.86561303 1.38502224 9.3910851 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1156-19-0 5503 170465136 A Tolazamide Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2 Tox21_110281_1 -NCGC00027960-03 196705210 tox21-ror-cho-viability-p1 set1 4 0.8412674301 5.037316708 -2.037316708 3 4.9549173134 0.4201879966 0.2715815483 0.05293238 0.19615639 2.0545055 -4.93216882 -5.30084062 -5.86443059 0.55832056 -2.69284633 -1.0917439 -0.20581124 6.5435446 5.56852688 0.02649277 0.91981659 0.46592419 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21434-91-3 30627 170466225 A Capobenic acid COc1c(cc(cc1OC)C(=O)NCCCCCC(=O)O)OC Tox21_110972_1 -NCGC00253720-01 196705214 tox21-ror-cho-viability-p1 set1 4 0.75781431 6.41212746 0.43869615 1.09319518 0.15580493 0.54189733 1.13268641 0.02776823 1.2138786 0.11515329 3.61165298 2.15469728 0.13698946 0.85148071 0.55163239 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17630-75-0 152801 170466688 A A 5-Chlorooxindole Clc1cc2CC(=O)Nc2cc1 Tox21_113839 -NCGC00095792-03 196705218 tox21-ror-cho-viability-p1 set1 4 0.59075108 1.19903503 -0.97068893 -1.03001917 1.7574966 -0.18135572 1.17285639 -7.02501232 -0.38461637 0.40675383 2.35842554 2.09182126 1.65464491 -0.64919967 0.90070088 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83-40-9 6738 170466576 Ac 2-Hydroxy-3-methylbenzoic acid OC(=O)c1cccc(C)c1O Tox21_111523_1 -NCGC00178376-05 196704741 tox21-ror-cho-viability-p1 set1 4 -1.73050247 -0.9687092 2.9204193 -2.19838193 1.69153538 3.93127151 2.00744166 2.20026929 -1.90429223 -1.29129065 1.27911212 -3.41447609 -0.60376737 -1.52317622 -0.60729949 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-40-5 5338 170465653 A Sulfaquinoxaline Nc1ccc(cc1)S(=O)(=O)Nc2cnc3ccccc3n2 Tox21_110027_1 -NCGC00259305-01 196706382 tox21-ror-cho-viability-p1 set1 4 -1.24838731 -1.01239793 1.25004342 0.6950584 -0.49165764 0 1.53777143 2.04489458 -20.06776987 -6.5765902 0.7832956 1.72776134 -0.78808881 -1.82745218 -6.28298845 1.206E-9 2.697E-9 6.0299999999E-9 1.348E-8 3.0149999999E-8 6.7419999999E-8 1.5079999999E-7 3.371E-7 7.538E-7 0.000001685 0.000003769 0.0000084269999999 0.00001884 0.00004214 0.000094219999999 3689-24-5 19395 144208954 B F Sulfotepp CCOP(=S)(OCC)OP(=S)(OCC)OCC Tox21_201756 -NCGC00090987-03 196706788 tox21-ror-cho-viability-p1 set1 4 -10.76439903 -2.93129791 -5.56439318 -6.50589735 -4.42163551 -1.6275422 -0.09187136 -0.98311253 6.8444205 -12.42892056 -10.9594181 0.91517384 -3.39533743 0.23048345 -3.19529353 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00163774-04 196706795 tox21-ror-cho-viability-p1 set1 4 2.2464229819 8.4436128639 -10.4436128639 -2 0.6 0.4013118413 0.2718431939 -10.98139358 -3.3102938 -9.11574554 -13.93422097 -14.95301072 -10.31648957 -8.32136953 -10.68544422 -3.79518804 -3.9184234 -3.50521541 -9.3030753 -5.11570906 -4.97911101 0.0617962 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00253636-01 196704332 tox21-ror-cho-viability-p1 set1 4 2.07559015 1.85844601 0.7479172 2.50855311 1.66641468 -0.00849208 0.13815913 1.09341985 -0.45790926 2.36247289 -0.15069247 0.20276471 0.97046098 1.09881304 1.09575025 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54396-44-0 2735932 170466684 F A 3-(Trifluoromethyl)-o-toluidine Cc1c(cccc1N)C(F)(F)F Tox21_113763 -NCGC00263557-01 196704729 tox21-ror-cho-viability-p1 set1 4 -1.20952998 -0.85740824 -1.36916063 -1.30204458 -1.40885625 0.70762074 -5.08298942 -0.37139232 0.00960024 -2.24215315 -2.32460792 -3.21753293 -3.72176613 -4.80809671 -7.51446406 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 124937-51-5 443879 170465337 A Tolterodine Oc1ccc(C)cc1[C@H](CCN(C(C)C)C(C)C)c2ccccc2 Tox21_111737_1 -NCGC00025286-04 196704739 tox21-ror-cho-viability-p1 set1 4 3.19677837 9.08352567 -0.16576217 2.93180008 2.79090386 4.60583243 0.19810602 4.17466942 3.60048997 0.63953178 7.62784943 3.6250589 2.00086475 8.24171328 4.09368818 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61129-30-4 6420041 170466366 A Zimeldine dihydrochloride hydrate Cl.Cl.O.Brc1ccc(cc1)C(=C\CN(C)C)\c2cccnc2 Tox21_111289_1 -NCGC00253640-01 196704751 tox21-ror-cho-viability-p1 set1 4 1.94649756 4.14202359 1.50234783 2.06036671 1.62843182 0.84091473 2.84501745 1.57829721 1.91296888 0.89788872 2.75113645 -1.12173565 3.97597534 4.09410063 -0.67087771 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4965-33-7 138395 170466759 A A 7-Chloro-2-methylquinoline Clc1cc2nc(C)ccc2cc1 Tox21_113767 -NCGC00016375-09 196705146 tox21-ror-cho-viability-p1 set1 4 0.084126743 -3.50598646 -0.5 -4.00598646 4.9549173134 0.3229676326 0.36438709 1.07637769 -0.29871304 0.32230438 0.11488238 -4.5641298 0.9765302 -1.45017307 -5.83236509 -4.3037194 -9.58832205 0.06437838 -3.92666005 -4.8275696 0.15674334 -0.6964036 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122-11-2 5323 170465690 A Sulfadimethoxine COc2nc(NS(=O)(=O)c1ccc(N)cc1)cc(OC)n2 Tox21_110405_1 -NCGC00179669-04 196705151 tox21-ror-cho-viability-p1 set1 4 1.8134383 5.41248498 1.93666959 0.82500124 0.21604291 0.98034475 0.58499717 -1.01347982 0.66641433 5.2924168 0.59679225 7.18422577 1.85801012 0.99130908 -0.8533518 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68-22-4 6230 170464683 F Norethindrone O=C4CC[C@H]3C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@@]1(O)C#C)=C4 Tox21_111322_1 -NCGC00018211-10 196705159 tox21-ror-cho-viability-p1 set1 4 -1.54004207 1.66691528 -1.86550097 0.76242836 0.41430862 2.90744746 0.09485759 3.28277674 0.44140328 1.38965748 5.42028617 3.70580501 2.63802096 0.6072467 0.94537784 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 42835-25-6 3374 170466145 A Flumequine O=C(O)C3=CN1c2c(cc(F)cc2CCC1C)C3=O Tox21_110840_1 -NCGC00259930-01 196705563 tox21-ror-cho-viability-p1 set1 -2.2 53.2108297004 -74.3659067385 0.3677596169 -73.9981471216 2.2481167061 0.9706278107 4.306E-7 -0.36792516 3.74804995 0.38047518 0.87292075 1.16700199 2.40129731 -0.09084663 -6.41505761 3.509148 0 1.34417579 0.77799092 -10.25584991 -23.17636973 -57.57435388 1.157E-9 2.5879999999E-9 5.7869999999E-9 1.2939999999E-8 2.894E-8 6.471E-8 1.447E-7 3.235E-7 7.234E-7 0.000001618 0.000003617 0.000008088 0.000018089999999 0.00004044 0.00009043 205-99-2 9153 144209579 A A Benzo(b)fluoranthene c1cccc5c1cc4c2c5cccc2c3ccccc34 Tox21_202381 -NCGC00259662-01 196705560 tox21-ror-cho-viability-p1 set1 4 -4.91031564 -1.22266291 -5.87877401 -1.50721231 -0.53476783 -2.01084653 -5.56271318 -7.34383411 1.49509267 -1.18160478 -0.21064769 -1.93822337 -5.85614733 0.97687806 0.16499867 1.1679999999E-9 2.612E-9 5.8409999999E-9 1.3059999999E-8 2.92E-8 6.53E-8 1.4599999999E-7 3.265E-7 7.3009999999E-7 0.0000016319999999 0.0000036499999999 0.000008162 0.00001825 0.00004081 0.00009126 87-61-6 6895 144209311 B F 1,2,3-Trichlorobenzene Clc1cccc(Cl)c1Cl Tox21_202113 -NCGC00259173-01 196705564 tox21-ror-cho-viability-p1 set1 4 -1.55708659 -9.66836706 -16.18289618 -19.36850374 0.92860857 -2.4349622 -3.04303987 -8.47757955 1.34465419 -1.16719253 -8.36417336 -3.47930338 0.45374775 -7.51036623 -2.51793642 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 91-76-9 7064 144208822 A A 6-Phenyl-1,3,5-triazine-2,4-diamine Nc1nc(nc(N)n1)c2ccccc2 Tox21_201624 -NCGC00183855-01 196726295 tox21-ror-cho-viability-p1 set3 4 1.13288099 0.60874893 -0.32239546 -3.35666501 -0.3661945 -3.29867273 -6.10972561 -2.51557602 3.57476429 1.13245855 -2.94657232 -1.06234224 1.91745531 1.43503054 -2.00466013 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 34645-84-6 65394 144206863 A A Fenclofenac Clc2cc(Cl)ccc2Oc1ccccc1CC(=O)O Tox21_113312 -NCGC00015060-14 196724284 tox21-ror-cho-viability-p1 set3 4 76.4894813809 14.6528807159 -0.6528807159 14 4.9549173134 0.3909053302 0.2816321341 -5.78729974 -2.75674642 -5.96073393 -0.31543158 5.22652885 -3.14345625 -1.63499243 4.34012146 0.42256287 -3.26549781 -2.70270185 0.11429034 5.55650024 -1.14654663 10.3108627 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00253931-01 196714518 tox21-ror-cho-viability-p1 set2 4 -2.62591582 -0.80349656 -2.8156122 0.64624296 -2.19265775 -9.02002211 -8.1603934 -6.61964615 -1.53856543 -8.27830184 -7.552003 -6.93447287 -0.44365558 -2.12472614 -1.63131366 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47346 9842616 144210552 A C SSR162369 FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC2CC4CCC(C2)N4c3ncccn3 Tox21_300232 -NCGC00163930-04 196714114 tox21-ror-cho-viability-p1 set2 4 2.81795733 -0.18107951 0.15499231 -0.02398842 0.08893802 2.29873193 1.82649591 2.5510374 -0.13772219 2.07100346 2.34879625 3.73837579 2.79775033 4.56243239 5.22151368 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00091088-05 196714506 tox21-ror-cho-viability-p1 set2 4 -0.93657542 -0.18829578 -0.26664623 0.28673617 1.21061761 0.06220467 0.46518917 0.72929693 0.13676027 0.61722602 0.55817598 1.12866158 5.16662019 0.05090004 4.3715718 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00254501-01 196714515 tox21-ror-cho-viability-p1 set2 4 0.34130355 0.50203591 0.00173609 -0.14064221 0.26148141 0.65491402 0.09848802 0.49409306 1.08492993 1.26618228 0.42089421 3.49026183 2.27124605 0.85721183 2.58192326 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1156-19-0 5503 144210734 A A Tolazamide Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2 Tox21_300416 -NCGC00254119-01 196714935 tox21-ror-cho-viability-p1 set2 4 2.33216966 -0.10046816 1.50697417 -1.23146639 -0.00735782 1.5389127 -0.56493242 2.01125344 1.86156336 -0.12080217 2.70778668 2.10559947 5.33164082 1.20328961 5.37565926 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-22-5 7047 144210388 A Ac Quinoline c1cccc2cccnc12 Tox21_300068 -NCGC00090910-03 196715337 tox21-ror-cho-viability-p1 set2 4 -3.08742665 -2.08000663 0.04656005 -0.06457911 0.20245655 -1.33263885 0.35182691 0.21575707 0.82179653 -0.09914787 2.38021216 2.50937186 -3.04505744 0.00481645 -5.76990889 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00244580-01 196715351 tox21-ror-cho-viability-p1 set2 -2.2 54.4826732819 -45.6533621643 2 -43.6533621643 2.2481167061 0.9641956544 0.000001322 -0.06245727 1.70534873 0.97319989 3.103736 3.93461217 0.46929262 4.21758877 2.60451395 4.51640339 -0.04564161 -0.03621558 1.30219725 -4.52309131 -11.39212766 -33.82830467 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00091163-03 196715353 tox21-ror-cho-viability-p1 set2 4 -0.76477661 3.36626601 2.55002889 -0.7857891 -0.43508399 0.65366164 0.18473205 -0.23078063 2.80460897 -0.63048838 0.03137705 0.45729424 3.06989155 -3.80614461 0.61810492 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00257834-01 196715354 tox21-ror-cho-viability-p1 set2 4 39.317239653 8.293063628 -0.293063628 8 1.3437170999 0.3229375015 0.3491860927 -0.08395916 4.59226311 -2.52632387 -3.45031868 0.87141233 0.68387253 -2.2458757 3.78776607 2.46779476 -5.24421969 -0.31202649 2.16866216 1.43341742 3.88724047 6.09320912 1.1989999999E-9 2.6809999999E-9 5.9959999999E-9 1.3409999999E-8 2.998E-8 6.704E-8 1.4989999999E-7 3.352E-7 7.495E-7 0.000001676 0.000003747 0.00000838 0.000018739999999 0.000041899999999 0.000093689999999 109-67-1 8004 144207478 FNS 1-Pentene CCCC=C Tox21_200280 -NCGC00257893-01 196715355 tox21-ror-cho-viability-p1 set2 -3 69.008347349 -40.23884272 -3 -43.23884272 3.5117481694 0.909669012 0.0001934777 -1.94935365 -3.96323086 -4.16206715 -4.76938129 0.67652518 -3.59073857 -2.9946923 1.55222755 -1.33642206 -0.81376739 -7.36230678 -6.76642497 -4.28153379 -8.87706267 -32.6990356 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003707 0.0000082899999999 0.00001854 0.00004145 0.00009269 608-71-9 11852 144207537 A A Pentabromophenol Brc1c(O)c(Br)c(Br)c(Br)c1Br Tox21_200339 -NCGC00258719-01 196715361 tox21-ror-cho-viability-p1 set2 4 -2.95678252 1.52950733 -2.95044624 0.85723695 -2.35554433 -0.13123547 1.69178291 1.87538042 -3.61461783 1.31989141 1.51159082 1.2963863 -2.07325957 -2.25704646 -1.61743499 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041229999999 0.00009218 495-48-7 10316 144208365 Ac Ac Azoxybenzene [O-]/[N+](=N/c1ccccc1)c2ccccc2 Tox21_201167 -NCGC00258671-01 196715754 tox21-ror-cho-viability-p1 set2 4 5.27623655 1.24958002 1.36096231 0.2024357 0.47143069 5.40648354 1.24143 0.3237314 3.07248794 2.21118319 1.15450606 0.31614152 1.44531499 1.82331471 -0.22406023 1.21E-9 2.707E-9 6.052E-9 1.353E-8 3.0259999999E-8 6.767E-8 1.5129999999E-7 3.3829999999E-7 7.5649999999E-7 0.0000016919999999 0.0000037829999999 0.000008458 0.00001891 0.000042289999999 0.000094569999999 589-38-8 11509 144208317 FNS 3-Hexanone CCC(=O)CCC Tox21_201119 -NCGC00258716-01 196715767 tox21-ror-cho-viability-p1 set2 4 0.87985487 2.33889901 0.31903558 2.04252683 1.40756912 2.77698149 0.20321492 0.67492249 -0.85416867 1.02462638 1.01433053 1.60502007 0.8547553 -3.05905844 -1.60621634 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.3169999999E-8 2.9459999999E-8 6.587E-8 1.4729999999E-7 3.2929999999E-7 7.364E-7 0.0000016469999999 0.0000036819999999 0.000008234 0.000018409999999 0.00004117 0.00009206 488-41-5 656655 144208362 A F Dibromomannitol O[C@H]([C@H](O)CBr)[C@H](O)[C@H](O)CBr Tox21_201164 -NCGC00259613-01 196706452 tox21-ror-cho-viability-p1 set1 4 0.8204568 3.15912406 0.44711911 3.95958981 3.50020789 -0.39091978 -0.53063952 -0.13865093 3.57439577 0 1.69761783 1.18090411 -0.23796324 0.42728656 2.23458412 1.1139999999E-9 2.49E-9 5.569E-9 1.2449999999E-8 2.784E-8 6.226E-8 1.3919999999E-7 3.113E-7 6.961E-7 0.0000015569999999 0.000003481 0.000007783 0.0000174 0.000038909999999 0.00008701 37764-25-3 37829 144209262 A A Dichlormid ClC(Cl)C(=O)N(CC=C)CC=C Tox21_202064 -NCGC00259304-01 196705628 tox21-ror-cho-viability-p1 set1 4 6.75206233 0.15267337 7.03076417 5.47711704 -1.30577891 -0.17931476 1.83513854 -0.05205709 -15.23580929 1.82746954 1.37237676 -0.02835031 0.70548794 0.302257 -9.7817651 1.4499999999E-9 3.241E-9 7.248E-9 1.6209999999E-8 3.624E-8 8.103E-8 1.8119999999E-7 4.052E-7 9.06E-7 0.0000020259999999 0.00000453 0.00001013 0.000022649999999 0.00005065 0.0001132 55-80-1 5934 144208953 A A 3'-Methyl-4-dimethylaminoazobenzene CN(C)c2ccc(/N=N/c1cc(C)ccc1)cc2 Tox21_201755 -NCGC00259462-01 196705632 tox21-ror-cho-viability-p1 set1 4 -3.57803959 -8.33011836 -10.36213529 -13.19461142 -6.71309984 -6.45471244 -3.34238477 -3.14178149 0.44619718 -11.04285786 7.5885909 -3.82173221 -1.76572379 -5.13701976 0.91039035 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.315E-8 2.94E-8 6.573E-8 1.4699999999E-7 3.2869999999E-7 7.3489999999E-7 0.000001643 0.000003674 0.0000082159999999 0.00001837 0.00004108 0.000091859999999 32809-16-8 36242 144209111 A A Procymidone Clc1cc(cc(Cl)c1)N2C(=O)C3(C)CC3(C)C2=O Tox21_201913 -NCGC00259308-01 196706046 tox21-ror-cho-viability-p1 set1 4 -0.00069574 4.40041675 -0.76862478 0.22273717 5.26552735 -0.50188301 -2.64448835 1.00630281 -5.23082468 -0.18200338 1.69681719 -3.39238485 -2.79727217 0.52581224 0.52700664 1.221E-9 2.7309999999E-9 6.107E-9 1.365E-8 3.053E-8 6.8269999999E-8 1.5269999999E-7 3.4139999999E-7 7.633E-7 0.000001707 0.000003817 0.000008534 0.000019079999999 0.00004267 0.00009541 96-05-9 7274 144208957 AC Fc Allyl methacrylate C=C(C)C(=O)OCC=C Tox21_201759 -NCGC00259554-01 196706456 tox21-ror-cho-viability-p1 set1 4 0.0069427497 -16.6213719839 13.5 -3.1213719839 0.8999999999 0.3724774713 0.2980605514 9.78794032 10.75731544 4.10205447 2.98509578 -1.27426236 -1.04754818 3.30275935 3.04874004 -21.35114332 1.1070731 3.13449256 -5.87857437 0.23449539 -0.76286784 -6.52933017 1.1919999999E-9 2.6659999999E-9 5.962E-9 1.333E-8 2.981E-8 6.6659999999E-8 1.491E-7 3.3329999999E-7 7.4529999999E-7 0.0000016669999999 0.000003726 0.000008333 0.00001863 0.00004166 0.00009316 56-38-2 991 144209203 A A Parathion S=P(Oc1ccc(cc1)[N+]([O-])=O)(OCC)OCC Tox21_202005 -NCGC00259908-01 196706461 tox21-ror-cho-viability-p1 set1 4 7.26689235 6.81112139 4.47850286 5.17882588 0.48511977 1.48614017 -0.81578621 1.64846077 -14.59190522 9.68109964 -0.39019862 -1.14391788 -1.31563632 -0.9211295 3.50158406 1.1689999999E-9 2.6129999999E-9 5.843E-9 1.3069999999E-8 2.9209999999E-8 6.5329999999E-8 1.461E-7 3.2659999999E-7 7.304E-7 0.0000016329999999 0.000003652 0.000008166 0.00001826 0.000040829999999 0.00009129 92-87-5 7111 144209557 A A Benzidine Nc1ccc(cc1)c2ccc(N)cc2 Tox21_202359 -NCGC00259525-01 196706467 tox21-ror-cho-viability-p1 set1 4 9.45985208 5.95676897 5.09583449 0.47240715 2.78246932 -0.33114154 0.52811235 0.72312594 0.2935887 0.80788938 1.40548156 2.88971888 2.19754954 3.16749423 0.04095642 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.552E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.0000036629999999 0.00000819 0.00001831 0.00004095 0.000091569999999 1809-19-4 6327349 144209174 I F Dibutyl phosphite CCCCOP(=O)OCCCC Tox21_201976 -NCGC00091657-02 196707282 tox21-ror-cho-viability-p1 set1 4 0.42632422 0.57162403 -1.30578108 0.77867893 -0.97918474 1.02558391 1.6834692 -0.43114107 1.24535588 -0.01766383 -0.33657516 0.7946961 -0.14659795 1.70792078 6.58648895 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00256861-01 196707286 tox21-ror-cho-viability-p1 set1 4 5.08424542 0.91264806 0.29472199 1.20204986 1.0650565 1.02903073 4.43365969 5.46051436 2.72341894 -1.02337682 -0.36589681 8.83823151 -0.37001999 2.55949816 10.51893358 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22047-49-0 13132266 144212936 F Fns 2-Ethylhexyl octadecanoate O=C(CCCCCCCCCCCCCCCCC)OCC(CCCC)CC Tox21_302619 -NCGC00256476-01 196707288 tox21-ror-cho-viability-p1 set1 4 1.561605 1.68085494 1.29203351 0.41628751 1.15501367 -0.51279366 -0.29924324 -0.82352042 4.42506884 2.01330032 -7.28101726 6.44308886 7.12866396 2.37061475 1.8745442 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-97-4 8086 144213176 A A Diisopropanolamine CC(O)CNCC(C)O Tox21_302859 -NCGC00257372-01 196707291 tox21-ror-cho-viability-p1 set1 -1.1 10.8707224818 -97.6676361868 1.732751902 -95.9348842848 1.4641 0.9846031419 1.04E-8 0.92839971 2.24096756 1.72302603 0.32841853 0.41060972 0.65133145 -1.65724125 3.84388442 1.64014913 -1.10305509 -19.72814482 -30.51060665 -65.9329823 -88.82859656 -81.75787565 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81741-28-8 9889168 144213861 A A Tributyltetradecylphosphonium chloride [Cl-].CCCC[P+](CCCC)(CCCC)CCCCCCCCCCCCCC Tox21_303556 -NCGC00164164-02 196705232 tox21-ror-cho-viability-p1 set1 4 -3.47743627 -0.64798106 -0.11693412 -0.38555849 -3.62619434 -0.46808901 0.69754426 -0.73374443 -1.11681054 -3.79995618 -2.69325822 -0.63650709 0.50087882 -1.30547079 -4.02522017 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00178286-05 196704414 tox21-ror-cho-viability-p1 set1 4 -1.05496012 1.83771059 0.04554057 0.26140969 1.00360318 -1.99369478 1.45394473 2.21190247 -0.83494578 1.12736136 0.87685813 0.48690787 2.31060765 4.61636552 1.55274564 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-15-0 5359226 170465059 Z Pralidoxime chloride [Cl-].O\N=C\c1cccc[n+]1C Tox21_110316_1 -NCGC00095169-05 196704816 tox21-ror-cho-viability-p1 set1 4 -9.29443907 -1.62024759 -2.19580048 -2.43004785 -1.60995686 -6.89946589 -0.01601462 -1.04515718 -1.30703569 -4.9838581 -4.78083048 -3.81074399 -2.54117851 -2.78571159 -7.58526166 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58066-85-6 3599 170465622 F Miltefosine C[N+](C)(C)CCOP([O-])(=O)OCCCCCCCCCCCCCCCC Tox21_111466_1 -NCGC00257131-01 196707247 tox21-ror-cho-viability-p1 set1 -2.4 61.130564862 -39.071404688 4.5 -34.571404688 3.2974983358 0.8640277825 0.0014316011 3.01964617 0.60171586 7.36352265 3.7835786 2.12545875 0.79742891 6.15995708 13.33883233 4.63430075 0.64330799 4.47173209 5.52242416 2.13658095 -3.8029031 -26.72117035 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 7085-85-0 81530 144213552 F F Ethyl cyanoacrylate N#CC(=C)C(=O)OCC Tox21_303235 -NCGC00259090-01 196706831 tox21-ror-cho-viability-p1 set1 -2.1 48.5083571201 -123.9596991969 2.6459440365 -121.3137551604 1.692447691 0.9685472453 6.342E-7 -3.82747746 11.07912211 0.21753475 1.32687789 1.01131999 2.08891651 0.49621713 0.21258025 13.93340149 0 2.60710774 -9.1084601 -15.492963 -48.06259597 -91.90435997 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.00004119 0.000092099999999 17796-82-6 28777 144208738 A D N-(Cyclohexylthio)phthalimide O=C3c1ccccc1C(=O)N3SC2CCCCC2 Tox21_201540 -NCGC00256417-01 196707229 tox21-ror-cho-viability-p1 set1 4 -14.38706372 -17.73868949 -14.11402725 -10.02390786 -8.61722226 -17.31740049 -16.03406196 -21.24958832 -20.96467165 -25.35859986 -20.93012837 -17.84734191 -16.4338149 -10.73349636 -12.52758504 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-19-7 5104 144213159 A A 4-Hydroxy-3-nitrophenylarsonic acid O=[N+]([O-])c1cc(ccc1O)[As](O)(O)=O Tox21_302842 -NCGC00256597-01 196707245 tox21-ror-cho-viability-p1 set1 4 0.81273211 0.09978187 -5.07562536 -7.01639979 0.06627366 -3.51372831 0.14032124 -3.20958776 -2.18403 -1.08645368 -3.65468624 0.49539551 -4.22205794 -0.54988509 0.63791649 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-52-4 7991 144213347 Ac Pentanoic acid CCCCC(=O)O Tox21_303030 -NCGC00256407-01 196707646 tox21-ror-cho-viability-p1 set1 4 5.1779174938 10.242082444 -11.742082444 -1.5 4.9549173134 0.5340369752 0.1489010837 -8.91754724 -8.42055265 -10.03442142 -13.38194826 -12.04767657 -15.62219813 -15.15012602 0.05825282 -16.45173537 -16.28311862 -13.07293157 0.73395023 -3.26645096 -1.35950799 -2.40051598 1.131E-9 2.53E-9 5.657E-9 1.2649999999E-8 2.828E-8 6.324E-8 1.4139999999E-7 3.162E-7 7.0709999999E-7 0.000001581 0.000003535 0.0000079059999999 0.00001768 0.00003953 0.00008839 22839-47-0 134601 144213282 D Aspartame O=C(O)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC Tox21_302965 -NCGC00256588-01 196707655 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -34.301203656 0 -34.301203656 4.5044702849 0.9048435716 0.0002520533 1.22203133 0.52523402 2.38025612 -0.38271412 0.11705803 1.09231773 -0.56916319 1.16349271 -1.05874296 -0.53637671 2.63132612 2.01779059 -7.19757261 -2.54352489 -27.33433638 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58-33-3 6014 144213195 A B Promethazine hydrochloride Cl.CN(C)C(C)CN1c3ccccc3Sc2ccccc12 Tox21_302878 -NCGC00256371-01 196707658 tox21-ror-cho-viability-p1 set1 4 -9.07925509 -8.37477374 -10.02526482 -6.7566701 4.37487615 -3.45083671 -8.45843524 0.25859246 -18.76536567 -11.08674339 -16.41760313 -5.60892578 -16.3597427 -16.42745569 -10.97646705 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-68-1 5327 144213323 A A Sulfamethazine O=S(=O)(Nc1nc(C)cc(C)n1)c2ccc(N)cc2 Tox21_303006 -NCGC00257213-01 196708065 tox21-ror-cho-viability-p1 set1 4 0.48486668 0.44452345 5.06465188 3.23001255 -0.84551589 -2.07866592 5.96231297 4.04925461 -0.0269917 0.36430909 4.47631341 -1.83758983 -3.01427651 9.64805812 4.86586179 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-09-6 8872 144213640 A F Hexyl methacrylate O=C(OCCCCCC)C(=C)C Tox21_303323 -NCGC00256846-01 196708068 tox21-ror-cho-viability-p1 set1 4 0.04924702 1.78463779 3.20056642 1.54993668 0.4149839 -0.82458551 1.57143154 3.18201227 -2.44564248 4.94250381 0.38835739 4.21937387 -3.05606231 0.81309175 0.07392375 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 698-76-0 12777 144213016 Cc D delta-Octanolactone CCCC1CCCC(=O)O1 Tox21_302699 -NCGC00263547-01 196705181 tox21-ror-cho-viability-p1 set1 4 0.34622024 -0.82733844 0.3139215 -0.96957221 1.75444012 1.2826527 -0.71979002 0.68329812 0.85401126 0.8574617 1.08134428 2.1588531 0.42350554 -1.00897517 1.08394323 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 121288-39-9 60737 170466599 B Loxoribine NC3=NC2=C(N(CC=C)C(=O)N2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(=O)N3 Tox21_112592_1 -NCGC00262908-01 196704768 tox21-ror-cho-viability-p1 set1 -2.1 26.6032120037 -99.6039673195 -4.9183579769 -104.5223252964 1.4641 0.9517458315 0.0105688692 -38.37166463 -9.21883286 -3.52281548 -7.05001232 -7.12724354 0 -0.09988938 -0.05213001 -0.20009517 -5.45576943 -15.0834928 -17.12139613 -20.52562433 -40.14688143 -79.18357977 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 70-10-0 6258 170466391 A A Ticlatone Clc1ccc2c(c1)SNC2=O Tox21_113906 -NCGC00022858-08 196704772 tox21-ror-cho-viability-p1 set1 4 0.57656026 -1.37758897 2.48662707 -2.10569161 -2.88873376 0.17398131 2.26974068 -0.30326759 1.05811064 3.77837816 -1.1279739 36.28533297 0.07599183 1.76357549 0.83325692 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15826-37-6 27503 170464887 F Sodium cromoglycate [Na+].[Na+].[O-]C(=O)C=4Oc3cccc(OCC(O)COc1cccc2OC(=CC(=O)c12)C([O-])=O)c3C(=O)C=4 Tox21_110863_1 -NCGC00253598-01 196725123 tox21-ror-cho-viability-p1 set3 4 4.53897906 9.19977076 3.37348666 6.25226982 0.55556435 -1.63274625 -4.60712595 1.08180982 2.47997644 8.87860407 -2.63573767 6.31622368 -4.59422479 -4.72503373 0.03963286 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17784-12-2 5322 170465286 A F Sulfacytine O=C1N=C(C=CN1CC)NS(=O)(=O)c2ccc(N)cc2 Tox21_113734 -NCGC00159524-02 196725120 tox21-ror-cho-viability-p1 set3 4 1.29122638 1.74464278 -1.21728029 4.45835658 9.2961528 2.14044667 15.45698928 18.00759293 11.97806574 22.30760187 9.80326939 5.50111379 2.37632091 -1.10422032 0.3729404 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71-73-8 23665410 170464734 A Thiopental sodium [Na+].O=C1NC([S-])=NC(=O)C1(CC)C(C)CCC Tox21_111741_1 -NCGC00166139-03 196725126 tox21-ror-cho-viability-p1 set3 4 0 0 -6.66780433 -1.63240048 -4.45206227 -2.57233186 -3.94411672 -4.43775519 -6.08947102 -5.35216789 -5.43629746 -2.33140303 -0.98623665 -0.92436614 0.40219748 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1083-57-4 14130 170465885 A 3-Hydroxy-4-butyrophenetidide CCOc1ccc(cc1)NC(=O)CC(C)O Tox21_112334_1 -NCGC00016623-05 196725128 tox21-ror-cho-viability-p1 set3 4 0 0 -1.87869356 -3.86072298 -10.12338359 4.93914216 3.75966963 -8.95483498 1.20346415 0.04091149 1.10286781 -10.21056236 5.28270584 4.57518938 5.15173935 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3160-91-6 76621 170466154 Z Moroxidine hydrochloride Cl.N=C(N)NC(=N)N1CCOCC1 Tox21_110532_1 -NCGC00263512-01 196725130 tox21-ror-cho-viability-p1 set3 2.2 12.9900172293 56.8432336799 -2.984412286 53.8588213939 4.0949729863 0.9499332494 0.000008473 -12.64877469 0 -0.48268927 -3.26132011 -2.55127912 -0.8094099 -3.4571409 0.23494608 -4.26694098 -4.67861681 -3.96866442 -1.47348452 0.45059967 12.11352909 49.29239873 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 17411-19-7 65684 170466202 D Dicarbine Cc3cc1c(NC2CCN(C)CC12)cc3 Tox21_111858_1 -NCGC00015408-03 196725534 tox21-ror-cho-viability-p1 set3 4 1.23376184 -6.12997715 -4.45331152 -4.85819569 -5.85398086 2.94867308 -5.2170057 1.41618878 -2.00576689 -3.4020527 3.43282977 -5.65075204 3.06957604 2.81467893 -2.29269796 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-98-6 65326 170465509 A Ephedrine hydrochloride Cl.O[C@@H]([C@H](C)NC)c1ccccc1 Tox21_111310_1 -NCGC00258408-01 196730592 tox21-ror-cho-viability-p1 set3 4 1.50680815 -0.13285334 1.11327311 0.06211399 0.06817762 1.78993869 0.38772164 1.5189485 -3.12352431 7.46702596 0.33070685 -0.20555112 2.92491329 0.64791462 3.3424343 1.1859999999E-9 2.6519999999E-9 5.929E-9 1.326E-8 2.964E-8 6.629E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.0000037059999999 0.000008286 0.00001853 0.000041429999999 0.00009264 76-43-7 6446 144208052 A A Fluoxymestrone C[C@]4(O)CC[C@@H]2[C@]4(C)C[C@H](O)[C@]1(F)[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_200854 -NCGC00257580-01 196730594 tox21-ror-cho-viability-p1 set3 -2.2 21.6899429044 -74.5519215155 0.8389754219 -73.7129460936 0.5 0.7913427633 0.0094578038 0.13419701 0.7671048 -1.57572691 -2.33706945 -2.1462821 -0.16027095 -0.68453995 -2.58743377 -20.84076558 -21.48379709 -21.57055329 -32.74840201 -9.60286801 -55.84314098 -51.29102433 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 10190-99-5 154914 144207224 A A Sodium aristolochate-I [Na+].[O-]C(=O)c3cc4OCOc4c2c3c(cc1c2cccc1OC)[N+]([O-])=O Tox21_200026 -NCGC00179542-03 196717026 tox21-ror-cho-viability-p1 set2 4 0.5955717307 5.0107031919 -4.0107031919 1 3.1319983358 0.4251984763 0.2498225736 3.07425345 -10.84225266 -5.61746797 -4.2134239 -3.93541506 -3.09880821 -3.308769 -3.96773187 -4.63141764 1.44131323 -0.10265112 0.69074342 0.69592151 0.95610744 0.8452438 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 138890-62-7 68844 170464926 A Brinzolamide NS(=O)(=O)c1cc2[C@H](CN(CCCOC)S(=O)(=O)c2s1)NCC Tox21_110722_1 -NCGC00022882-03 196717006 tox21-ror-cho-viability-p1 set2 4 -1.60711971 -7.68036937 -6.64578586 -5.66809424 -0.61339263 -1.34672935 -1.47842596 0.81281915 -2.80380585 -3.39907599 -1.79731736 -0.39838134 -5.73989897 -3.46201809 0.21064929 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 364-98-7 3019 170465328 A Diazoxide Clc1ccc2N=C(C)NS(=O)(=O)c2c1 Tox21_110132_1 -NCGC00167513-04 196717013 tox21-ror-cho-viability-p1 set2 4 1.79410168 2.6247289 2.99156687 3.79371768 5.55816729 5.72434566 4.66269294 5.47259001 2.87479645 3.24465398 2.87165847 2.37610037 2.42620227 -0.25369567 6.54247754 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 443913-73-3 3081361 170465617 F Vandetanib CN4CCC(COc2cc3ncnc(Nc1ccc(Br)cc1F)c3cc2OC)CC4 Tox21_112511_1 -NCGC00093347-05 196717022 tox21-ror-cho-viability-p1 set2 4 9.4391758155 -14.091019396 3.5 -10.591019396 0.9999999999 0.7676761384 0.0147862162 2.42291969 0.11976143 0.64691918 3.63998425 5.82559338 3.78305109 8.66888432 6.11875225 2.91653602 0.45526288 1.19816899 -0.22781635 -3.86412089 -5.60550362 -8.40918283 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72-33-3 6291 170465357 F Mestranol COc3cc4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@@]1(O)C#C)c4cc3 Tox21_111200_1 -NCGC00025295-02 196717419 tox21-ror-cho-viability-p1 set2 4 29.8492948118 11.37227862 -1.37227862 10 4.0949729863 0.6566380061 0.0614249801 -5.72689885 -1.03547047 -1.04961623 -1.56060644 1.19758178 0.90878277 0.2703864 -2.71809512 1.45074979 -2.10479026 -1.70215372 -3.09746714 -1.20216964 0.62138636 8.47846869 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 99617-34-2 9928181 170466418 A Zacopride hydrochloride Cl.Clc1cc(c(OC)cc1N)C(=O)NC3CN2CCC3CC2 Tox21_110959_1 -NCGC00254169-01 196714541 tox21-ror-cho-viability-p1 set2 4 2.36915065 0.64627821 1.045594 -0.28874577 1.16665533 0.68066949 -0.14574288 0.45876559 2.96630306 0.24899017 1.23357841 1.11107353 0.97511318 1.67374414 -0.25861839 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 8018-01-7 3034368 144210633 F Mancozeb [Mn+2].[Zn+2].[S-]C(=S)NCCNC(=S)[S-].[S-]C(=S)NCCNC([S-])=S Tox21_300314 -NCGC00254242-01 196714133 tox21-ror-cho-viability-p1 set2 -1.1 3.8570778872 -91.2427809364 -0.6113147489 -91.8540956853 1.8851180601 0.9840408213 1.28E-8 -1.03714761 -0.22389051 1.27730276 1.58673844 0.58915855 1.53094061 -2.03585664 -5.46782841 -8.80732698 -16.48743131 -33.28125607 -85.84622284 -89.52640905 -87.71656461 -88.06937473 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1461-22-9 15096 144210861 A Tributyltin chloride CCCC[Sn](Cl)(CCCC)CCCC Tox21_300543 -NCGC00091284-03 196714139 tox21-ror-cho-viability-p1 set2 4 -6.39693975 -4.66717433 -4.60922276 1.07021856 -1.9390818 -4.21710349 -10.0665875 -11.37695331 -5.19504016 -13.26567682 -7.04456333 -14.09954139 -7.97847991 -5.11154513 -0.64775523 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00254704-01 196714538 tox21-ror-cho-viability-p1 set2 4 -1.0117147 0.95456777 1.02561141 2.55534465 -1.27699972 3.06053312 6.54986769 2.44477177 -0.68692455 0.76703101 0.32876407 5.00976843 5.81033601 5.31894027 4.38418989 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4940-11-8 21059 144211117 A A 2-Ethyl-3-hydroxy-4H-pyran-4-one OC1=C(CC)OC=CC1=O Tox21_300800 -NCGC00254298-01 196714542 tox21-ror-cho-viability-p1 set2 4 -0.91325692 0.10468612 -4.47956606 -3.05874878 -3.46674998 -3.19600751 -5.71157257 -3.79343421 -6.66089839 -3.03375447 -3.59994453 0.3994508 -0.25285571 -3.37096097 -3.48216558 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47299 60196413 144210779 A A CP-422935 CS(=O)(=O)O.CCOc1cccc(c1)[C@@]2(CC[C@@H](C)CC2)N3CCN(CC3)c4ccccc4 Tox21_300461 -NCGC00254790-01 196714553 tox21-ror-cho-viability-p1 set2 4 0.48355497 1.47169793 -2.04880119 -0.55082687 -0.18816876 -0.01380759 -2.86624552 -0.80154137 -5.10294618 -2.87170668 -1.52147907 -3.10450633 1.40287017 0.5453437 -2.31026419 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 43121-43-3 39385 144211203 A A Triadimefon CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_300886 -NCGC00254240-01 196714948 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -117.498882884 2.5503186419 -114.9485642421 4.9549173134 0.9917929014 3E-10 0.15535083 0.02255021 2.28120433 2.64154165 2.94148439 1.40707456 2.75503899 2.12525791 3.25225388 1.45731466 1.78863057 5.53950989 -0.02683811 0.04493647 -93.45411727 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7173-51-5 23558 144210915 A A Didecyldimethylammonium chloride [Cl-].C[N+](C)(CCCCCCCCCC)CCCCCCCCCC Tox21_300598 -NCGC00257269-01 196708123 tox21-ror-cho-viability-p1 set1 -2.4 48.5577336745 -28.421186556 -0.5 -28.921186556 3.0654483358 0.93410563 0.0000375333 -2.14267754 -0.757417 3.76563787 -0.54995687 1.82098009 -2.58983417 -2.9257377 -1.55360531 0.08032221 -1.97497 0.6086459 -0.39477093 -0.24520725 -11.97711511 -24.93432213 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6807-17-6 81259 144213913 A A 4,4'-(4-Methylpentane-2,2-diyl)diphenol Oc1ccc(cc1)C(C)(CC(C)C)c2ccc(O)cc2 Tox21_303608 -NCGC00256360-01 196708109 tox21-ror-cho-viability-p1 set1 4 -9.98749896 -9.17008597 -0.89925066 -15.0218926 1.28755873 -9.00742039 -1.05385693 -9.17573605 0.29072459 -17.86324212 -8.33901374 -13.70433998 1.9527589 1.20722535 -0.22412269 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-17-8 444972 144213143 A A Fumaric acid O=C(O)/C=C/C(=O)O Tox21_302826 -NCGC00259899-01 196708525 tox21-ror-cho-viability-p1 set2 4 3.2849281 2.61586897 3.01310831 0.47038865 0.4845797 1.2792179 -0.48263756 1.16788121 1.55923578 1.69586541 5.99288021 3.97611203 5.53891111 4.44726247 4.81306887 1.213E-9 2.713E-9 6.067E-9 1.357E-8 3.034E-8 6.7829999999E-8 1.517E-7 3.3919999999E-7 7.5839999999E-7 0.000001696 0.0000037919999999 0.000008479 0.00001896 0.00004239 0.000094799999999 872-50-4 13387 144209548 A A N-Methyl-2-pyrrolidone O=C1CCCN1C Tox21_202350 -NCGC00259952-01 196708549 tox21-ror-cho-viability-p1 set2 4 45.4425045633 -12.951021784 0 -12.951021784 2.4063783767 0.711610772 0.0336018913 -4.07348787 0.56645163 5.32194349 0.50375599 -1.06172034 0.18434344 -0.4263405 -0.85725969 -0.61023965 -2.06886108 0.47732183 -1.23380078 -0.09350044 -6.40072973 -11.20918482 1.229E-9 2.748E-9 6.145E-9 1.374E-8 3.073E-8 6.8709999999E-8 1.5359999999E-7 3.435E-7 7.682E-7 0.000001718 0.000003841 0.000008589 0.0000192 0.00004294 0.000096019999999 65-85-0 243 144209601 A A Benzoic acid O=C(O)c1ccccc1 Tox21_202403 -NCGC00259281-01 196708940 tox21-ror-cho-viability-p1 set2 4 1.2390869 -1.01900282 2.76354357 0.74063777 1.42941564 -0.06722631 0.16978129 0.87364104 0.10524987 1.83522956 1.49423246 1.37577941 1.58547527 0.24875665 1.09752575 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 120-55-8 8437 144208930 A A Diethylene glycol dibenzoate O=C(OCCOCCOC(=O)c1ccccc1)c2ccccc2 Tox21_201732 -NCGC00259607-01 196708942 tox21-ror-cho-viability-p1 set2 4 1.66720665 -0.89388946 0.11686555 0.65829955 -0.99806953 0.11673415 0.78276679 0.73996016 0.08233094 -0.62768011 -0.80640073 -0.63182123 0.70431367 0.19381969 -0.04784843 1.177E-9 2.6319999999E-9 5.886E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.000003679 0.000008225 0.00001839 0.00004113 0.00009196 584-84-9 11443 144209256 D Toluene-2,4-diisocyanate O=C=N/c1cc(ccc1C)\N=C=O Tox21_202058 -NCGC00256737-01 196707311 tox21-ror-cho-viability-p1 set1 4 0.2433651621 -7.346066556 -3 -10.346066556 4.9549173134 0.4626000827 0.229834251 -1.48636867 -4.09330365 -3.81084203 -8.41342168 -4.18659243 -2.09715329 5.22598 -11.94784142 -13.31078064 -14.87172213 -12.90449416 -2.34320747 -10.91576514 -7.37012619 5.8256341 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26921-17-5 5281056 144212785 A A Timolol maleate salt O[C@H](COc1nsnc1N2CCOCC2)CNC(C)(C)C.O=C(O)/C=C\C(=O)O Tox21_302468 -NCGC00258804-01 196706903 tox21-ror-cho-viability-p1 set1 4 0.0017193898 12.472293564 -12.972293564 -0.5 0.6 0.3986998649 0.2752298195 -9.14357797 -5.68428431 -2.02643219 -5.96096348 1.3285439 -4.20909884 1.38341854 -5.9428104 -1.61677767 -1.09084093 1.18359604 -5.42822519 0.25396456 0.58470013 3.52541698 1.1779999999E-9 2.633E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.00000368 0.00000823 0.000018399999999 0.00004115 0.00009201 10016-20-3 444913 144208450 A A alpha-Cyclodextrin O[C@@H]2[C@@H](O)[C@@H]1O[C@H]7O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]2O[C@@H]1CO)[C@H](O)[C@H]3O)[C@H](O)[C@H]4O)[C@H](O)[C@H]5O)[C@H](O)[C@H]6O)[C@H](O)[C@H]7O Tox21_201252 -NCGC00258807-01 196706910 tox21-ror-cho-viability-p1 set1 4 5.08256176 3.37374508 2.1805381 10.50568508 -7.7099463 -1.36152819 0.29631089 -2.36788458 6.29388957 0 0.66777161 -0.72622894 3.53881509 3.40094055 5.64799804 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.96E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 55-18-5 5921 144208453 I B N-Nitrosodiethylamine CCN(CC)N=O Tox21_201255 -NCGC00256452-01 196707302 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -59.8196991045 1.1641789579 -58.6555201466 4.9549173134 0.9345842441 0.0000359086 -0.2373487 -0.05762262 -8.90387761 0.828205 2.05219386 3.32537057 -0.89343092 6.01255951 1.53610369 2.11219329 3.40565689 -0.26041673 3.15121104 -2.34843603 -47.34565091 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 53-19-0 4211 144213121 A A o,p'-DDD Clc2ccccc2C(C(Cl)Cl)c1ccc(Cl)cc1 Tox21_302804 -NCGC00257313-01 196707313 tox21-ror-cho-viability-p1 set1 4 1.19351984 0.27063347 -6.28327245 -9.77577537 -2.76466074 -0.71922385 -2.68506722 -3.46190833 -6.38678205 -12.79722738 -8.66182885 0.49169244 -2.13956053 -8.18656761 -4.37875107 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 712-50-5 12837 144213955 A Cyclohexylphenylketone O=C(c1ccccc1)C2CCCCC2 Tox21_303653 -NCGC00091830-04 196707719 tox21-ror-cho-viability-p1 set1 4 -8.81393523 -11.42785573 -9.23775177 -15.00611238 -7.52375973 -13.29365333 -12.7278247 -7.76504843 -11.92920068 -15.33491635 -10.07455179 -11.03005144 -13.78913699 -11.41589867 -10.33918964 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00090702-02 196706010 tox21-ror-cho-viability-p1 set1 4 2.4336516212 11.24368004 -11.74368004 -0.5 4.9549173134 0.6784288892 0.0485069053 -13.62055976 -7.62114575 -12.88365291 -16.4530667 -8.94761047 -13.12700848 -14.59860941 -3.68820887 -11.17683778 -14.7523785 1.46571559 -5.13749445 0.86112833 -1.84853257 1.73301958 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00260672-01 196709328 tox21-ror-cho-viability-p1 set2 -2.2 48.4589889209 -40.4072056868 0.5 -39.9072056868 2.7202212143 0.9454359393 0.0000135694 -0.0253082 -0.71775475 0.61495846 0.08631232 -0.34056341 5.11857375 0.66032611 3.81933849 -0.65139963 -1.25778572 -4.89336669 -0.1190533 -0.71246429 -16.33323685 -33.64182249 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.3169999999E-8 2.9459999999E-8 6.587E-8 1.4729999999E-7 3.294E-7 7.365E-7 0.0000016469999999 0.0000036819999999 0.000008234 0.000018409999999 0.00004117 0.00009206 1330-78-5 6529 144208744 A A Tricresyl phosphate Cc1ccc(cc1)OP(=O)(Oc2ccc(C)cc2)Oc3ccc(C)cc3 Tox21_201546 -NCGC00259808-01 196709724 tox21-ror-cho-viability-p1 set2 1.1 2.421282371 99.44469304 0.1097481283 99.5544411683 4.9549173134 0.9593964631 0.0000524376 1.67956318 1.97960207 1.37942835 1.06611403 2.16748458 -0.71749133 2.70596333 0.20186032 -1.68691232 1.85844291 105.0152333 85.61656368 61.57020178 1.14149759 -93.08331779 1.175E-9 2.628E-9 5.877E-9 1.314E-8 2.9389999999E-8 6.571E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003673 0.000008214 0.00001837 0.00004107 0.00009183 7487-94-7 5284416 144209457 Mercuric chloride [Hg+2].[Cl-].[Cl-] Tox21_202259 -NCGC00258912-01 196706027 tox21-ror-cho-viability-p1 set1 4 -4.519242 -0.1458173 -4.36454399 0.08538568 -1.13694173 0.02060101 0.24242175 0.91964014 3.9651669 -10.23103532 3.55313218 4.0243324 2.78487786 4.12875564 -10.00630671 1.171E-9 2.618E-9 5.8529999999E-9 1.3089999999E-8 2.927E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.316E-7 0.0000016359999999 0.000003658 0.00000818 0.00001829 0.0000409 0.00009146 98-94-2 7415 144208558 FNS N,N-Dimethylcyclohexylamine CN(C)C1CCCCC1 Tox21_201360 -NCGC00259589-01 196706018 tox21-ror-cho-viability-p1 set1 4 2.82878124 -2.91696174 2.86883494 -0.57574579 6.33280202 0.95424607 1.02766734 3.11361759 1.15023754 6.05798812 6.30064096 -0.38782969 1.04869854 0.49908882 -1.47237257 1.1739999999E-9 2.626E-9 5.871E-9 1.3129999999E-8 2.9349999999E-8 6.564E-8 1.468E-7 3.282E-7 7.339E-7 0.000001641 0.000003669 0.000008205 0.00001835 0.00004102 0.00009173 97-53-0 3314 144209238 A A Eugenol Oc1ccc(cc1OC)CC=C Tox21_202040 -NCGC00259624-01 196706023 tox21-ror-cho-viability-p1 set1 4 0.44131956 -0.33216467 -1.69320206 -0.87713386 4.26539465 1.558159 1.69951012 2.69961466 1.73691693 4.64844672 2.44538237 0.99891821 5.30419061 2.15612033 6.99307499 1.194E-9 2.6689999999E-9 5.968E-9 1.3339999999E-8 2.9839999999E-8 6.672E-8 1.4919999999E-7 3.3359999999E-7 7.4599999999E-7 0.000001668 0.00000373 0.00000834 0.00001865 0.0000417 0.00009324 532-27-4 10757 144209273 D 2-Chloroacetophenone O=C(CCl)c1ccccc1 Tox21_202075 -NCGC00259671-01 196706420 tox21-ror-cho-viability-p1 set1 4 -0.45121883 1.50107723 -1.29830913 0.71263342 -1.36622147 -2.98559429 -0.88921359 -0.44770701 -0.68123318 -1.85855294 -1.2000913 1.13801765 -12.88272538 1.97609423 -0.04015886 1.196E-9 2.6749999999E-9 5.981E-9 1.338E-8 2.9909999999E-8 6.6879999999E-8 1.4949999999E-7 3.344E-7 7.477E-7 0.0000016719999999 0.0000037379999999 0.0000083589999999 0.00001869 0.000041799999999 0.000093459999999 144-62-7 971 144209320 Oxalic acid O=C(O)C(=O)O Tox21_202122 -NCGC00258830-01 196706423 tox21-ror-cho-viability-p1 set1 4 -12.68131428 -4.00624077 -12.52189282 -5.3417742 -8.74993209 -10.0355864 -4.69849704 -4.962775 -0.18359389 -2.08005289 1.14858315 -7.23633637 -11.06285514 -10.52099108 -17.55353446 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041229999999 0.00009218 549-18-8 11065 144208476 A A Amitriptyline hydrochloride Cl.CN(C)CC\C=C1\c3ccccc3CCc2ccccc12 Tox21_201278 -NCGC00258866-01 196706432 tox21-ror-cho-viability-p1 set1 4 -9.69708959 -6.63638608 -13.06838215 -13.13443858 2.12997902 -0.4984542 -2.1894101 -2.19654894 -0.85499517 -11.46056288 -10.09115858 -5.07990159 -6.39282932 -2.23006223 -2.67451873 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.962E-8 6.622E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 140-49-8 8805 144208512 FNS 4'-(Chloroacetyl)acetanilide O=C(C)Nc1ccc(cc1)C(=O)CCl Tox21_201314 -NCGC00259087-01 196706435 tox21-ror-cho-viability-p1 set1 4 -6.37828186 7.9903714 -2.96593443 -1.44431619 6.2849174 0.56974996 -1.79778847 -0.31835424 6.48146031 -0.02106794 5.86164862 0.81242288 0.71920852 5.65379812 1.2818238 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003668 0.000008201 0.00001834 0.000041009999999 0.00009169 123-18-2 61057 144208735 AC Fc 2,6,8-Trimethyl-4-nonanone CC(C)CC(C)CC(=O)CC(C)C Tox21_201537 -NCGC00259666-01 196706835 tox21-ror-cho-viability-p1 set1 4 1.46063826 -0.17941905 -5.26404451 -4.16712433 -2.40212993 0.14925762 -0.17245284 -7.2125783 6.27736121 -1.42744051 0.76476903 -0.00422149 -3.21030799 0.62607568 0.42801888 1.1739999999E-9 2.624E-9 5.8689999999E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091699999999 50-78-2 2244 144209315 A Cc Aspirin O=C(C)Oc1ccccc1C(=O)O Tox21_202117 -NCGC00259616-01 196706844 tox21-ror-cho-viability-p1 set1 4 1.01609169 3.19768631 4.95066185 1.49555477 2.70607784 -0.46028184 2.87463018 -6.11627849 2.14133232 10.9836592 0.25217911 5.14401756 -1.52518269 0.87474534 5.49809306 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.3169999999E-8 2.944E-8 6.583E-8 1.472E-7 3.291E-7 7.3599999999E-7 0.0000016459999999 0.00000368 0.0000082289999999 0.000018399999999 0.000041139999999 0.000092 947-04-6 13690 144209265 A A Azacyclotridecan-2-one O=C1CCCCCCCCCCCN1 Tox21_202067 -NCGC00259125-01 196706847 tox21-ror-cho-viability-p1 set1 4 0.6914801679 13.2646049559 -15.2646049559 -2 0.6 0.6561730699 0.060698389 -16.01611219 -12.09171121 -16.41158165 -16.47050413 -7.92890206 -14.87958915 -12.85179875 -12.71819227 -7.86871654 -1.48467791 -9.02174548 -6.90321196 0.87655046 -2.54309764 -6.98588259 1.188E-9 2.656E-9 5.9389999999E-9 1.3279999999E-8 2.969E-8 6.64E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.000003712 0.0000083 0.00001856 0.0000415 0.00009279 512-56-1 10541 144208774 B Ac Trimethyl phosphate O=P(OC)(OC)OC Tox21_201576 -NCGC00256824-01 196727627 tox21-ror-cho-viability-p1 set3 4 -0.39922843 -2.17392588 -0.46562745 -0.97376227 -6.20126254 -0.88927047 1.64797367 2.51238594 1.60182611 1.38706887 -0.35571712 -0.14864369 1.5494192 0.59196053 0.48148681 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-39-4 342 144212962 A A m-Cresol Cc1cc(O)ccc1 Tox21_302645 -NCGC00260491-01 196724357 tox21-ror-cho-viability-p1 set3 4 61.0062525823 -13.210176364 0.5 -12.710176364 1.4487170999 0.4499738747 0.2261859707 -6.21868837 1.21360211 3.65614224 -0.11855081 4.77827187 1.80853304 2.3585521 -2.39018683 2.18835144 -0.8127878 -3.2174333 -0.29973688 -2.08125211 -3.27327945 -8.92514697 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.365E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.00004117 0.00009206 77-53-2 65575 144210143 A A (+)-Cedrol C[C@@H]3CC[C@@H]1[C@]23C[C@H](C1(C)C)[C@](C)(O)CC2 Tox21_202945 -NCGC00260633-01 196724368 tox21-ror-cho-viability-p1 set3 4 -2.07506452 0.88694176 -12.90966041 0.26260011 -0.93278029 -2.29289121 -1.51516062 0.52051412 0.70261151 0.62369888 -1.20367666 0.71322647 1.97919312 -3.59241712 -1.00267826 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49529 144210286 M M NTP Mix109 ER1 10-EQC Tox21_203088 -NCGC00091023-06 196717031 tox21-ror-cho-viability-p1 set2 -2.4 33.4914596268 -30.49365348 -2.5 -32.99365348 4.9549173134 0.9062137764 0.0002344971 -7.80883679 0.3237116 -4.31193811 -1.76649648 -1.26026432 -2.46817591 1.20942287 -1.73881062 -3.40013019 -1.87023214 -2.99034456 -0.43453461 -3.62062423 -4.50535985 -27.9113779 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 140-72-7 8816 170465500 D Cetylpyridinium bromide [Br-].CCCCCCCCCCCCCCCC[n+]1ccccc1 Tox21_111061_1 -NCGC00257861-01 196716220 tox21-ror-cho-viability-p1 set2 4 0.0084683474 7.0231550359 -7.0231550359 0 0.4 0.3457052639 0.3287986641 -2.71026759 -9.18596253 -0.74994729 -5.44139487 0.78090299 -3.34926017 -1.18809063 -2.73006788 -0.84673116 -0.33587137 -1.49166495 1.29435347 -1.64808358 -1.82009084 2.02231552 1.1609999999E-9 2.595E-9 5.803E-9 1.298E-8 2.901E-8 6.488E-8 1.451E-7 3.244E-7 7.253E-7 0.000001622 0.0000036269999999 0.0000081099999999 0.000018129999999 0.000040549999999 0.00009067 2439-35-2 17111 144207505 A A 2-(Dimethylamino)ethyl acrylate CN(C)CCOC(=O)C=C Tox21_200307 -NCGC00257743-01 196716622 tox21-ror-cho-viability-p1 set2 4 0.45178261 2.69513203 4.19494144 3.9654869 5.897341 2.193528 3.80865845 3.97783796 4.69713269 2.2198156 1.27423263 4.61342911 1.37038025 0.83974573 1.82354895 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 75-25-2 5558 144207387 AC A Bromoform BrC(Br)Br Tox21_200189 -NCGC00025098-02 196717027 tox21-ror-cho-viability-p1 set2 4 0.67047814 -1.86024927 -4.67358275 -4.49556508 -2.639775 -1.76147169 -0.26213059 -2.12225434 -5.49258345 -0.3298062 -1.92365863 -3.37472921 -0.42581279 -1.50249012 -1.86351392 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_45676 45073437 170466636 A Loreclezole hydrochloride Cl.Cl\C(=C/n1cncn1)c2ccc(Cl)cc2Cl Tox21_110946_1 -NCGC00016991-05 196717452 tox21-ror-cho-viability-p1 set2 4 0.14818398 0.36743456 -3.13919527 -1.67768555 2.43237201 -0.85303969 -5.89170036 -2.43139477 -4.10154499 -4.36593623 -0.89311139 -0.00005573 -4.1176062 -2.93313437 -2.79003818 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5875-06-9 517321 170465400 A Proparacaine Cl.CCN(CC)CCOC(=O)c1ccc(OCCC)c(N)c1 Tox21_113547_1 -NCGC00253654-01 196717457 tox21-ror-cho-viability-p1 set2 4 2.55103444 0.09064554 0.67297213 -0.8827314 -0.97032745 0.6512738 2.35789552 3.86033513 1.68694703 2.8832447 0.40537451 -0.13518381 1.19683939 3.25529115 3.1034982 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13255-50-0 83270 170466692 A A N-isopropyl-4-formylbenzamide O=C(NC(C)C)c1ccc(C=O)cc1 Tox21_113780 -NCGC00090874-04 196717874 tox21-ror-cho-viability-p1 set2 4 0.63448684 -1.25941557 -1.89071568 -1.6455276 0.3853419 0.84132106 0.79203484 1.7132096 -0.8361222 1.15571676 -0.31718292 -0.55693349 -0.1359507 -2.34287441 -5.36254864 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00256610-01 196718277 tox21-ror-cho-viability-p1 set2 4 0.0100344029 10.597938784 -7.597938784 3 1.331 0.7566482246 0.0178091507 -4.62375267 -7.99828232 -4.74645143 0.19456298 1.75390838 -0.14102393 1.72563751 3.59657083 2.20876665 3.17520378 3.84995818 4.10165472 -0.08099776 0.63506543 6.83656824 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5949999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004246 0.00009493 2437-25-4 17092 144213238 F Ac Dodecanenitrile CCCCCCCCCCCC#N Tox21_302921 -NCGC00256698-01 196718279 tox21-ror-cho-viability-p1 set2 4 48.5577336745 -18.4046154879 -1.5 -19.9046154879 1.9673362061 0.6426174711 0.0688322106 -0.51248839 -5.6606739 2.99215427 -3.13322718 -3.14983918 1.65433361 0.66538274 -6.31092179 2.54303622 -6.12575836 -1.76106586 0.76545864 -1.75265945 -10.50294709 -15.75384624 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 1191-62-4 14493 144213926 F Bc 1,8-Octanedithiol SCCCCCCCCS Tox21_303621 -NCGC00256652-01 196718282 tox21-ror-cho-viability-p1 set2 4 -2.75272309 -0.88541757 -5.68997913 -4.26733747 -2.84671682 -8.44349266 -7.13067881 -1.2618467 -9.36475499 -5.78518757 -0.33561475 0.81076767 -11.02761841 -0.25125558 2.06610444 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2478-10-6 75588 144212968 A A 4-Hydroxybutyl prop-2-enoate O=C(C=C)OCCCCO Tox21_302651 -NCGC00091019-08 196717493 tox21-ror-cho-viability-p1 set2 4 -2.14999804 -0.31739551 0.0728996 2.09099145 -2.32743427 -2.03256584 -3.73944926 -2.7093947 -1.36011693 -2.75937555 -4.08542399 1.9736841 -1.48888678 -2.28560725 4.3505017 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 378-44-9 9782 170465027 A Dexamethasone OCC(=O)[C@@]4(O)[C@@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_112115_1 -NCGC00015747-09 196717478 tox21-ror-cho-viability-p1 set2 -3 33.4914596268 -75.5597262545 -3.698923131 -79.2586493855 4.9549173134 0.9449923628 0.0000141384 -4.24925774 1.52091967 0.50167341 -5.86704023 -7.59000677 -9.37851905 -6.47525839 -4.93407628 2.46410027 -0.20719728 -1.05354335 -7.16353525 -7.94147615 -4.56225939 -69.52513104 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55985-32-5 4474 170465173 A Nicardipine CC=2NC(C)=C(C(C=2C(=O)OCCN(C)Cc1ccccc1)c3cccc(c3)[N+]([O-])=O)C(=O)OC Tox21_110211_1 -NCGC00164529-04 196717479 tox21-ror-cho-viability-p1 set2 4 0.35978505 1.51759314 1.86492629 2.95700888 7.24930497 4.33099534 5.3401781 7.44565892 2.31375104 4.46742959 -0.47169798 4.23979748 3.55754825 0.71538404 1.19531584 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123-94-4 24699 170465522 F 1-Stearoyl-rac-glycerol OCC(O)COC(=O)CCCCCCCCCCCCCCCCC Tox21_112160_1 -NCGC00256120-01 196710216 tox21-ror-cho-viability-p1 set2 4 -5.95379013 1.14445545 -1.00385967 -0.31197622 -1.32628393 -1.06122632 -0.84158702 -2.0627272 -0.92227206 -1.33990491 -1.47253344 0.57112715 -0.78182333 0.3938375 1.01473039 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7779-31-9 111032 144211717 A 3,3,5-Trimethylcyclohexyl 2-methylprop-2-enoate O=C(OC1CC(C)CC(C)(C)C1)C(=C)C Tox21_301400 -NCGC00255132-01 196710225 tox21-ror-cho-viability-p1 set2 4 -3.40514282 -2.28500029 -4.00338645 -6.62095366 -1.60739791 -2.48487299 1.24618429 -3.37935845 -2.67546326 -3.28792415 -3.87576082 -2.52527901 -0.21499872 -0.38165242 -4.213607 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 28434-01-7 162381 144212710 A A Bioresmethrin O=C(OCc2cc(Cc1ccccc1)oc2)[C@@H]3[C@@H](/C=C(\C)C)C3(C)C Tox21_302393 -NCGC00255558-01 196710228 tox21-ror-cho-viability-p1 set2 4 0.0015355304 -9.5184801 10.5 0.9815199 4.9549173134 0.6098039029 0.0927501325 8.33690883 1.29349591 -0.59339721 1.77613171 2.86749971 2.74393546 2.46175144 0.34808946 -0.89956858 0.46144427 1.98826304 2.26796971 -1.68206675 -1.54508395 -0.36078216 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4196-89-8 20169 144211834 A A Neopentyl glycol dibenzoate CC(C)(COC(=O)c1ccccc1)COC(=O)c2ccccc2 Tox21_301517 -NCGC00256040-01 196710648 tox21-ror-cho-viability-p1 set2 4 0.4327712569 7.581579636 -7.081579636 0.5 0.8999999999 0.6502631544 0.0646970917 -4.17845503 -5.60222984 -6.06191431 -10.06798303 -9.6141117 -6.67656368 -1.9179382 -1.42668847 -6.39553474 -1.19463218 0.62690292 0.21277334 0.68408781 -1.73304147 1.73284212 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 623-42-7 12180 144212138 Fns Methyl butyrate CCCC(=O)OC Tox21_301821 -NCGC00255107-01 196710649 tox21-ror-cho-viability-p1 set2 4 0.5448267328 4.6806342999 -5.6806342999 -1 4.9549173134 0.3798857014 0.2930155703 -4.77718988 -9.31719525 -6.57647425 -6.25525404 -4.50415338 -6.90358939 0.30267165 -9.26527332 -0.5768986 0.81587692 0.46369568 -6.5682194 2.641667 -4.30070222 -0.55962642 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2455-24-5 17151 144212032 A Fc Tetrahydrofurfuryl methacrylate O=C(OCC1CCCO1)C(=C)C Tox21_301715 -NCGC00255335-01 196710650 tox21-ror-cho-viability-p1 set2 4 61.130564862 -25.7482878479 1 -24.7482878479 2.9522712143 0.9373576521 0.0000288108 4.39651485 0.02427132 1.53199913 0.99154039 1.07356973 1.56193983 0.82251266 0.29660685 1.05316534 0.057373 0.49372943 -0.30488558 -2.75134709 -4.96650072 -18.95690654 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17230-88-5 28417 144212257 A A Danazol C#C[C@]3(O)CC[C@H]2[C@@H]4CCC1=Cc5oncc5C[C@]1(C)[C@H]4CC[C@@]23C Tox21_301940 -NCGC00259592-01 196708576 tox21-ror-cho-viability-p1 set2 4 2.8231438 3.68216344 -0.58485811 2.14873913 1.60023886 2.77321688 1.92801346 0.02080422 -0.05261081 0.31613986 3.04975206 -0.65309223 1.69796151 0.464274 0.48875874 1.1449999999E-9 2.56E-9 5.724E-9 1.28E-8 2.8619999999E-8 6.4E-8 1.431E-7 3.2E-7 7.155E-7 0.0000016 0.000003578 0.000008 0.00001789 0.000039999999999 0.00008944 27314-13-2 33775 144209241 A A Norflurazon FC(F)(F)c1cc(ccc1)N2N=CC(NC)=C(Cl)C2=O Tox21_202043 -NCGC00256462-01 196708168 tox21-ror-cho-viability-p1 set1 4 -0.20861325 2.94353682 -0.29699025 -2.8656556 1.03650429 -0.16070678 -3.2422334 1.48646933 4.34851781 1.62012258 0.62373584 1.17025485 0.83241816 0.4941979 -1.78268146 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 818-61-1 13165 144213285 A A 2-Hydroxyethyl acrylate C=CC(=O)OCCO Tox21_302968 -NCGC00256654-01 196708175 tox21-ror-cho-viability-p1 set1 4 17.2289340586 5.509128232 -0.009128232 5.5 4.9549173134 0.422055977 0.253920103 -5.00760686 3.44616927 3.63205994 -2.17455094 3.12979436 0.43155412 -1.16422941 0.28527725 -0.05066897 -0.54922183 -2.76843403 -1.97610597 3.39454148 5.47259713 4.92669194 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 306-07-0 9373 144212995 A A Pargyline hydrochloride Cl.CN(Cc1ccccc1)CC#C Tox21_302678 -NCGC00257235-01 196708185 tox21-ror-cho-viability-p1 set1 4 -2.56840009 -3.60974175 -1.77657345 -1.15830066 -6.17508145 0.6289322 -1.01392525 -0.03283693 -1.68624156 -3.12758595 1.38001843 -2.92883501 -0.3038331 -2.12102757 -2.88335315 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 NOCAS_48166 60196435 144213657 A C PharmaGSID_48166 NC(=O)OC[C@H]4c1c(cc(C=O)cc1OC)N3C[C@H]2[C@H](N2C(C)=O)[C@@]4(OC(C)=O)O3 Tox21_303340 -NCGC00259147-01 196708580 tox21-ror-cho-viability-p1 set2 4 38.7277300935 -8.0601155199 -1.5 -9.5601155199 4.0949729863 0.6116281059 0.0903767276 -0.76732102 0.00101482 -4.24002096 -6.91312828 -0.19211488 -1.12152891 -1.58782424 -0.08938852 -0.75234558 -0.84660244 -0.05415433 0.71557461 -2.44343253 -6.36740146 -9.6334296 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.324E-8 2.96E-8 6.618E-8 1.4799999999E-7 3.309E-7 7.399E-7 0.0000016539999999 0.0000037 0.000008272 0.0000185 0.00004136 0.000092489999999 2095-03-6 91511 144208796 D Bis[4-(glycidyloxy)phenyl]methane c2cc(OCC1CO1)ccc2Cc4ccc(OCC3CO3)cc4 Tox21_201598 -NCGC00259588-01 196708589 tox21-ror-cho-viability-p1 set2 4 3.48378475 -1.54270137 2.80863136 1.66638297 -1.39738196 2.50029462 2.4981242 1.47144288 0.13734811 -0.43081655 2.17532604 3.4510117 1.98574338 2.86454816 1.07777885 1.142E-9 2.553E-9 5.7099999999E-9 1.277E-8 2.8549999999E-8 6.383E-8 1.4269999999E-7 3.1919999999E-7 7.1369999999E-7 0.000001596 0.000003568 0.000007979 0.00001784 0.000039899999999 0.00008921 473-55-2 10129 144209237 FNS Pinane CC2(C)C1CC2C(C)CC1 Tox21_202039 -NCGC00259943-01 196708515 tox21-ror-cho-viability-p1 set2 4 0.8890200609 5.1221196359 -1.1221196359 4 0.6 0.4445700148 0.233748417 2.38020958 -0.18962071 -6.76843303 -0.54408516 0.60051155 -0.69874349 1.70836784 1.0463798 1.28374106 0.16253116 2.98261912 3.1723972 3.44787296 4.68457608 2.6262527 1.2089999999E-9 2.703E-9 6.045E-9 1.352E-8 3.023E-8 6.759E-8 1.511E-7 3.379E-7 7.556E-7 0.00000169 0.0000037779999999 0.000008448 0.00001889 0.00004224 0.000094459999999 622-97-9 12161 144209592 A Ac 4-Methylstyrene Cc1ccc(C=C)cc1 Tox21_202394 -NCGC00257259-01 196708101 tox21-ror-cho-viability-p1 set1 4 -2.38308829 -1.30717403 -2.21235256 -3.22603556 -1.22211223 2.98278018 -0.00383379 -1.38643988 0.82334241 0.75222993 1.23373244 -1.91013779 1.32264077 -1.30580933 2.8072576 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 611-70-1 69144 144213742 A A Isopropyl phenyl ketone O=C(C(C)C)c1ccccc1 Tox21_303431 -NCGC00256583-01 196708103 tox21-ror-cho-viability-p1 set1 4 3.54321695 0.28640877 0.22966673 3.91301121 3.67701328 4.76770402 0.22327725 3.24343592 8.54791503 2.92039142 2.97107258 3.37043437 3.9622932 3.51638908 5.27666648 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-04-7 7418 144213113 A A 3-Methylbenzoic acid Cc1cccc(c1)C(O)=O Tox21_302796 -NCGC00259332-01 196708504 tox21-ror-cho-viability-p1 set2 4 -1.98438447 -1.96636505 -2.26483586 -4.1327388 -3.71205223 1.45718894 1.90213058 0.58982167 2.20541333 -3.16613939 -2.76647913 -0.26728214 -2.46467818 -1.52725393 2.3167982 1.1989999999E-9 2.6809999999E-9 5.9959999999E-9 1.3409999999E-8 2.998E-8 6.704E-8 1.4989999999E-7 3.352E-7 7.495E-7 0.000001676 0.000003747 0.00000838 0.000018739999999 0.000041899999999 0.000093689999999 120-58-1 8439 144208981 B Isosafrole CC=Cc1ccc2OCOc2c1 Tox21_201783 -NCGC00090952-07 196708914 tox21-ror-cho-viability-p1 set2 4 -7.93887872 2.09988895 3.91676042 -7.74035056 4.29558069 -1.31920894 -6.42518534 -4.69455262 -4.62585214 -8.08540986 -4.73114329 -4.0450508 -1.55474411 1.23506562 -5.63044424 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00258991-01 196709330 tox21-ror-cho-viability-p1 set2 4 -0.6723067 1.80971272 1.33007202 0.5624561 3.97095735 1.40815965 1.14685647 0.37186139 0.63098215 0.75035045 1.79948821 3.64372786 3.71927882 4.34191701 0.20374912 1.175E-9 2.628E-9 5.877E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.346E-7 0.000001643 0.000003673 0.0000082129999999 0.000018359999999 0.00004107 0.000091819999999 102-50-1 7610 144208638 A A 4-Methoxy-2-methylaniline Nc1ccc(OC)cc1C Tox21_201440 -NCGC00259981-01 196709335 tox21-ror-cho-viability-p1 set2 4 -0.70557952 2.65717846 3.94513324 5.49461848 2.70861901 0.89226467 2.55111213 -0.67346126 -1.37130144 0.91531011 1.75090174 2.20525877 2.41553898 4.31962232 1.0632556 1.1839999999E-9 2.648E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.619E-8 1.4799999999E-7 3.309E-7 7.4E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.0000925 4075-81-4 19999 144209630 A Ac Calcium propionate [Ca+2].CCC(=O)[O-].[O-]C(=O)CC Tox21_202432 -NCGC00181765-01 196704805 tox21-ror-cho-viability-p1 set1 4 -2.31445275 3.2724225 3.89523382 0.07029536 2.41436496 2.01757044 2.78529728 4.58498914 -4.59159835 -2.27923465 0.3141619 3.86731794 5.14845608 1.64006643 2.18072543 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103177-37-3 4887 144206505 F A Pranlukast hydrate O=C(Nc3cccc1c3OC(=CC1=O)c2nnnn2)c5ccc(OCCCCc4ccccc4)cc5 Tox21_112952 -NCGC00091163-03 196704785 tox21-ror-cho-viability-p1 set1 4 -0.26200778 -5.11010261 0.04097802 -0.47443875 -2.64492371 1.18516599 -0.58646114 0.00402188 -0.07897332 -0.08844288 0.63667308 -49.57291115 -0.24087713 0.46537959 3.6768592 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00162116-04 196704791 tox21-ror-cho-viability-p1 set1 4 -5.48205833 0.47551931 -3.05461179 -5.29490812 0.37111189 -5.97680947 0.9699524 -2.21131732 1.1205128 -2.48682931 1.71723879 -4.24765763 -3.88103583 -1.98622406 3.14647846 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 24356-60-3 23675312 170465306 B Cephapirin sodium [Na+].[O-]C(=O)C=2N3C(=O)[C@@H](NC(=O)CSc1ccncc1)[C@H]3SCC=2COC(C)=O Tox21_110772_1 -NCGC00262925-01 196704804 tox21-ror-cho-viability-p1 set1 4 0.45852564 0.27746056 2.56904177 0.7962158 -3.77336936 0.66500098 0.73362131 -5.78517468 0.14198301 1.23216674 -0.26231406 3.07983996 0.01703813 -0.13772787 2.23226104 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 86408-72-2 72187528 170466790 F A Ecabet sodium [Na+].CC(C)c2cc3CC[C@@H]1[C@](C)(CCC[C@@]1(C)C([O-])=O)c3cc2S(=O)(=O)O Tox21_113921 -NCGC00018254-08 196705207 tox21-ror-cho-viability-p1 set1 -2.2 29.8492948118 -40.929394136 -2 -42.929394136 1.9673362061 0.8464364032 0.0025099579 -8.11674584 0.94424128 -0.86537725 -0.48453893 0.89176967 -6.66009442 1.2342014 -0.33266632 -0.32087569 0.32307946 -6.66789779 -7.38967387 -6.74145908 -11.69684689 -32.44116178 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60628-96-8 2378 170465826 A Bifonazole c1cc(ccc1c2ccccc2)C(c3ccccc3)n4ccnc4 Tox21_110850_1 -NCGC00090820-03 196705209 tox21-ror-cho-viability-p1 set1 4 0.92753295 1.4319405 3.22600764 1.98593341 4.94094446 5.0440817 -0.04225592 1.51548389 0.56400842 3.10123953 5.28889603 0.43493717 2.04575751 3.36096164 7.03470908 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 556-08-1 19266 170466207 Fc 4-Acetamidobenzoic acid O=C(C)Nc1ccc(cc1)C(=O)O Tox21_111029_1 -NCGC00094532-06 196729012 tox21-ror-cho-viability-p1 set3 4 2.33476026 -2.2377489 5.82365573 5.33720048 3.53602873 2.45275611 4.41042723 5.7657738 4.21154593 2.02934353 2.11817469 -0.35726209 -1.13548915 0.40241979 0.14064507 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00016407-08 196725192 tox21-ror-cho-viability-p1 set3 4 0.0133331902 -13.8210611479 0.5 -13.3210611479 3.5117481694 0.7148421577 0.0397231295 0 0 0 0 -7.39699003 -13.86225795 -12.93749729 -15.16165602 -19.85088429 -13.77460309 -12.30153207 -11.06892142 -19.70712134 -2.96917282 -0.01532005 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 144-82-1 5328 170465369 A Sulfamethizole Cc2nnc(NS(=O)(=O)c1ccc(N)cc1)s2 Tox21_110425_1 -NCGC00094087-05 196725212 tox21-ror-cho-viability-p1 set3 1.4 0.3757803576 22.456114532 1.543885468 24 1.0999999999 0.7835673447 0.0110039855 -4.54676211 0.149627 0.12121956 0 13.78909962 8.65829659 0 0 15.60723608 19.81599636 22.35890587 23.2929536 18.96633709 26.99181368 20.77640063 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50924-49-7 104762 170466027 F Mizoribine NC(=O)c2ncn([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c2O Tox21_111242_1 -NCGC00258146-01 196729426 tox21-ror-cho-viability-p1 set3 4 0.1541778705 -7.3692147279 5.5 -1.8692147279 1.6258976909 0.6925367276 0.0419572156 1.93846001 8.22908765 9.83875883 1.76544688 4.03956608 5.74880894 0.95934368 -0.29515821 -0.5714133 -1.96559893 -1.87709455 -5.30767894 -1.13755744 -1.51689704 -0.31754471 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.309E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008272 0.0000185 0.00004136 0.00009248 244193-56-4 11461044 144207790 D 1-Decyl-3-methylimidazolium tetrafluoroborate F[B-](F)(F)F.C[n+]1ccn(CCCCCCCCCC)c1 Tox21_200592 -NCGC00258520-01 196729413 tox21-ror-cho-viability-p1 set3 -2.4 18.1616663106 -22.007029924 -1.5 -23.507029924 1.9673362061 0.8540999073 0.0019883135 2.53721639 -4.56304464 -1.05395462 0.32886468 2.14643845 -5.19136908 -3.82595494 -0.72589249 -8.66245437 0 0 -5.70443815 -12.98670071 -20.22499146 -22.50585827 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 36791-04-5 37542 144208165 A A Ribavirin NC(=O)c1ncn(n1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O Tox21_200967 -NCGC00257955-01 196729424 tox21-ror-cho-viability-p1 set3 4 -3.22751359 0.54794651 0.14159482 -3.43977781 -0.7008709 -3.6905638 0.27659933 0.88006345 0.77215848 -0.16387171 1.87753355 0.35391121 3.19046567 1.04715138 5.62194036 1.175E-9 2.626E-9 5.873E-9 1.3129999999E-8 2.936E-8 6.566E-8 1.468E-7 3.2829999999E-7 7.341E-7 0.000001642 0.0000036709999999 0.000008208 0.00001835 0.00004104 0.00009176 76-13-1 6428 144207599 1,1,2-Trichloro-1,2,2-trifluoroethane ClC(F)(F)C(Cl)(Cl)F Tox21_200401 -NCGC00258161-01 196729836 tox21-ror-cho-viability-p1 set3 4 0.009727966 -13.7934454401 15 1.2065545599 0.6 0.43379688 0.2404516695 9.36479364 6.40944508 14.27888802 11.52625931 8.66745212 -2.3278712 -0.51507302 5.18127633 2.72794118 0.50812393 0.38979434 3.97853781 1.27080984 2.86836053 5.79324064 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.397E-7 0.0000016539999999 0.0000036989999999 0.0000082699999999 0.000018489999999 0.00004135 0.00009247 350493-08-2 11212667 144207805 A A 1-Butyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide CCCCn1cc[n+](C)c1C.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F Tox21_200607 -NCGC00090750-04 196729839 tox21-ror-cho-viability-p1 set3 4 7.7898932537 6.3518744639 -1.8518744639 4.5 3.1319983358 0.4891290316 0.2075362467 -1.50237813 -0.21078115 -3.69639691 -3.52032109 -5.29322872 -1.44746864 1.90420784 -0.01056796 -3.9614019 -0.44876312 0.24260994 0.34628739 8.08190914 1.59758056 -4.88734523 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00257900-01 196729842 tox21-ror-cho-viability-p1 set3 4 38.2571958381 -14.698978556 -1.5 -16.198978556 0.7999999999 0.4544907964 0.2391151245 1.12428769 -1.78593236 0.06325916 0.46586781 -4.2053839 -4.34964746 -3.93448484 -4.90169918 0 -3.15908801 0 -1.52015196 -11.83248213 -8.47369836 -3.23527692 1.172E-9 2.621E-9 5.8609999999E-9 1.311E-8 2.931E-8 6.553E-8 1.465E-7 3.277E-7 7.327E-7 0.0000016379999999 0.0000036629999999 0.000008192 0.00001832 0.00004096 0.00009159 627-05-4 12302 144207544 A A 1-Nitrobutane [O-][N+](=O)CCCC Tox21_200346 -NCGC00091468-02 196729843 tox21-ror-cho-viability-p1 set3 4 3.236294 0.36431143 5.43780023 0.91751901 3.99964085 3.81896457 1.86072471 1.57577401 -0.70123839 13.54610358 1.54396334 -0.37952673 2.1520569 0.43713877 7.10192852 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00258638-01 196730239 tox21-ror-cho-viability-p1 set3 4 0.83120689 1.36828994 3.03644331 3.40230326 -1.36087529 0.10955056 -1.89777505 2.89700858 -1.384362 0.16307035 2.1031643 2.95212235 -2.19521169 1.29414794 0.50787417 1.1989999999E-9 2.6809999999E-9 5.995E-9 1.3409999999E-8 2.998E-8 6.703E-8 1.4989999999E-7 3.351E-7 7.494E-7 0.000001676 0.000003747 0.000008378 0.00001873 0.00004189 0.00009367 106-31-0 7798 144208284 A A Butanoic anhydride CCCC(=O)OC(=O)CCC Tox21_201086 -NCGC00258201-01 196730240 tox21-ror-cho-viability-p1 set3 4 0.6594765005 -5.068721792 -1 -6.068721792 4.9549173134 0.5434563055 0.1588647442 -0.90449417 -0.1877626 -0.24295203 -1.07283554 -0.64859959 -1.3771971 -3.23306232 0.77927424 -3.94643419 -10.05726816 -0.35032984 -8.15612087 -6.55946921 -4.41091119 -2.63342982 1.142E-9 2.5539999999E-9 5.7099999999E-9 1.277E-8 2.8549999999E-8 6.384E-8 1.4269999999E-7 3.1919999999E-7 7.1369999999E-7 0.000001596 0.0000035689999999 0.00000798 0.00001784 0.000039899999999 0.000089219999999 1758-73-2 61274 144207845 F Amino(imino)methanesulfinic acid N=C(N)S(=O)O Tox21_200647 -NCGC00256855-01 196718732 tox21-ror-cho-viability-p1 set2 -1.3 12.1971512362 -91.6123485216 2.1655990929 -89.4467494287 1.34431 0.9702023562 0.4870218166 0.69423645 1.24893113 2.04611776 2.70738551 1.4673317 7.70253223 0.19668551 4.8671341 -3.22552945 0.79397227 -24.74039189 -22.76482722 61.01493209 -80.64147684 -80.47277532 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 29091-09-6 94398 144212847 A A 2,4-Dichloro-1,3-dinitro-5-(trifluoromethyl)benzene O=[N+]([O-])c1c(Cl)c(cc([N+]([O-])=O)c1Cl)C(F)(F)F Tox21_302530 -NCGC00257513-01 196718738 tox21-ror-cho-viability-p1 set2 4 -0.63193203 0.10796195 -1.38050248 0.66392135 -0.66918446 -0.7627949 0.28750663 0.61174075 0.83037848 -0.06745604 -0.56349657 1.3363185 0.26035866 -0.35988795 6.0859773 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 116-53-0 8314 144213889 A 2-Methylbutanoic acid CC(CC)C(=O)O Tox21_303584 -NCGC00257302-01 196718721 tox21-ror-cho-viability-p1 set2 4 -2.93423964 -3.50737624 -3.85439529 -2.52561657 -1.54629092 -5.3886043 -2.18341238 -1.36373748 -2.56769206 -4.58473013 -1.52632334 -1.52950745 -1.74872907 -3.15312456 0.84778931 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 37143-54-7 123458 144213858 Fns 1-Methoxy-2-propylamine CC(N)COC Tox21_303553 -NCGC00256810-01 196718731 tox21-ror-cho-viability-p1 set2 4 0.18278137 0.07750447 -0.88111016 0.3757619 -1.12156358 -1.82442191 3.09429872 0.05442183 0.04306203 0.23463021 -0.09875435 2.31876238 0.88305602 -0.55480642 0.86141268 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3092-17-9 18340 144213040 A A Midodrine hydrochloride Cl.COc1ccc(cc1C(O)CNC(=O)CN)OC Tox21_302723 -NCGC00257088-01 196718742 tox21-ror-cho-viability-p1 set2 4 3.50027594 3.3619954 1.47937653 1.90922138 1.99010714 2.40043038 1.31657708 2.87007416 -0.34348653 -9.77867574 -0.01007436 3.05922504 0.26117418 2.70742565 2.0971273 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-19-0 7913 144213508 F A Imidodicarbonic diamide NC(=O)NC(N)=O Tox21_303191 -NCGC00256606-01 196719148 tox21-ror-cho-viability-p1 set2 4 27.3060203028 -17.376381104 -1 -18.376381104 1.98874246 0.9547475199 0.0000049248 -2.27684643 -1.64420178 -1.8936919 -2.21326507 -0.63219989 0.98581975 -1.7100398 -0.82419581 -2.05237564 -0.14847929 -0.37112451 -1.05430644 -7.36214029 -11.89741588 -17.81365092 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131-56-6 8572 144213182 A A 2,4-Dihydroxybenzophenone O=C(c1ccc(O)cc1O)c2ccccc2 Tox21_302865 -NCGC00254959-01 196719592 tox21-ror-cho-viability-p1 set3 4 2.7278253826 5.5975957519 -3.0975957519 2.5 1.55794881 0.3917919778 0.2819803103 -2.24753118 -4.8662625 0.1596813 -9.24799646 -2.50493037 -0.27564757 -3.85521422 0 -4.45588293 0.8518018 -3.1636337 5.65694675 0.86675628 2.8291211 0.82441799 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 1008-72-6 3794540 144211374 A A Sodium 2-formylbenzenesulfonate [Na+].O=S([O-])(=O)c1ccccc1C=O Tox21_301057 -NCGC00254254-01 196719594 tox21-ror-cho-viability-p1 set3 4 0.5955717307 -10.156442468 0.5 -9.656442468 4.9549173134 0.6511425029 0.075148225 -1.02744689 -4.07289822 2.70413531 4.60786562 -2.27204868 4.60139178 -7.38440508 5.09085897 3.24770622 -9.31108874 -8.85485741 -8.34709848 -11.79703539 -9.48278449 -1.12339744 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 91082-17-6 20478723 144210649 C C10-21 alkanesulfonic acids phenyl esters O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC Tox21_300331 -NCGC00254043-01 196719599 tox21-ror-cho-viability-p1 set3 4 1.3685428777 12.2043159039 -7.2043159039 5 0.5 0.6496567314 0.0647023355 -0.33544537 -11.83692992 -9.47704873 -4.67833877 -4.36545092 -7.25138903 -3.68371791 -0.29868889 -3.65696335 1.04720437 -0.53766271 -0.76274595 2.89884603 3.695068 3.96999418 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-69-4 444305 144210475 A A L-Tartaric acid O=C(O)[C@H](O)[C@@H](O)C(O)=O Tox21_300155 -NCGC00164077-02 196719991 tox21-ror-cho-viability-p1 set3 -2.4 61.130564862 -32.731826684 2.5 -30.231826684 1.8579476909 0.8307559312 0.0038870229 0.22296865 5.60036663 2.86276943 4.87030225 4.38309818 0.33487479 5.08982274 6.36371665 -1.82825023 6.58842337 0 -2.45379617 -2.61882271 -5.8463487 -21.85985557 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00254050-01 196719995 tox21-ror-cho-viability-p1 set3 -2.2 61.130564862 -42.5762157868 -4 -46.5762157868 3.5117481694 0.8264893318 0.0043245187 -0.54304805 -0.35184013 -14.12692939 -8.08781651 -6.2227698 -0.91224139 -8.27957538 -4.99149912 -5.60305884 -1.10504585 -0.94619217 -0.77244102 0.64113544 -12.75267594 -38.31531499 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 196808-45-4 170364 144210538 A A Farglitazar O=C(O)[C@@H](Nc2ccccc2C(=O)c1ccccc1)Cc3ccc(cc3)OCCc4nc(oc4C)c5ccccc5 Tox21_300218 -NCGC00254637-01 196719997 tox21-ror-cho-viability-p1 set3 1.4 0.0068589622 20.586856852 -20.586856852 0 0.4 0.8149686018 0.005768512 -11.90190509 -16.32238071 -10.41991889 -7.12220956 -6.40477313 -6.93826354 -2.14275016 -3.55806288 -5.90032831 -3.84300898 -2.68369082 -1.30787946 2.42820246 -2.6348294 1.46436861 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21087-64-9 30479 144211048 A A Metribuzin O=C1C(=NN=C(SC)N1N)C(C)(C)C Tox21_300731 -NCGC00255949-01 196709832 tox21-ror-cho-viability-p1 set2 4 0.019331182 -5.006959636 5 -0.006959636 3.9899729863 0.6371091155 0.0737307829 4.37858175 3.30555728 7.60807133 3.9230716 0.71724639 2.6844046 -2.6805403 1.44841479 0.05008087 0.58488985 0.17189674 -0.01246529 1.12402742 -0.69942707 -3.33913303 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2654-57-1 98282 144212359 B C 4-Methyl-1-phenylpyrazolidin-3-one O=C1NN(CC1C)c2ccccc2 Tox21_302042 -NCGC00257539-01 196710260 tox21-ror-cho-viability-p1 set2 4 2.12543144 2.27278178 2.70695643 2.77778419 -0.2147231 3.48806607 -0.39387387 0.45772683 0.30212566 0.53663759 0.12171733 0.63005524 1.1010619 0.48067506 6.79885359 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 62-55-5 2723949 144211612 A A Thioacetamide CC(N)=S Tox21_301295 -NCGC00256038-01 196709840 tox21-ror-cho-viability-p1 set2 4 -3.2368025 -6.36328616 -2.65642689 0.49361647 0.40564693 0.71086684 1.43683941 0.39166107 2.65258441 1.5463008 -2.05638594 1.69732548 1.14459881 0.43787745 0.8105439 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 599-61-1 11741 144212054 A A 3,3'-Sulphonyldianiline Nc1cc(ccc1)S(=O)(=O)c2cc(N)ccc2 Tox21_301737 -NCGC00255810-01 196710240 tox21-ror-cho-viability-p1 set2 4 -2.17275771 -0.23501507 -0.35571281 0.07073258 -0.07675308 -0.6326583 -10.9219427 0.05425535 0.57864152 -0.58195008 -0.32596095 -1.4253699 -3.26294723 -0.73531762 -1.0435145 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55934-93-5 60196418 144211621 F Tripropylene glycol butyl ether OC(OCC(C)OC(CC)OCCCC)CC Tox21_301304 -NCGC00255973-01 196710261 tox21-ror-cho-viability-p1 set2 4 0.91970285 -2.55227241 -6.54357405 -2.52307108 -2.91471615 -0.89828327 -0.42329655 -1.72016663 -1.21899198 1.32546878 1.45013032 -1.93973829 -0.32163747 0.8310833 2.53062389 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1493-13-6 62406 144212500 A A Trifluoromethanesulfonic acid FC(F)(F)S(=O)(=O)O Tox21_302183 -NCGC00255339-01 196710263 tox21-ror-cho-viability-p1 set2 4 6.16958261 0.32048135 3.20576771 3.17319966 0.58859717 3.49881575 5.12011839 0.06961852 1.0325573 -0.01570257 -0.32940147 0.47240528 -0.74985898 -0.66465788 5.70357574 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1929-73-3 16002 144211876 A A 2,4-D-Butotyl Clc1cc(Cl)ccc1OCC(=O)OCCOCCCC Tox21_301559 -NCGC00255271-01 196710667 tox21-ror-cho-viability-p1 set2 4 12.1971512362 -6.1218244519 1.5 -4.6218244519 2.7202212143 0.6848675072 0.0464384926 6.36799392 0.77896656 0.37927364 2.03758214 1.38777623 1.3634725 0.07916909 0.42645593 0.00600158 0.80778673 0.37921551 1.03920503 -4.09133427 -4.68485371 -4.40510799 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63612-50-0 4493 144211906 A A Nilutamide FC(F)(F)c1cc(ccc1[N+]([O-])=O)N2C(=O)C(C)(C)NC2=O Tox21_301589 -NCGC00256191-01 196710671 tox21-ror-cho-viability-p1 set2 4 4.85400295 -0.88300567 0.35338185 -1.68595179 0.00539933 -0.93312317 4.234828 2.90571898 0.01892712 1.93495782 -2.15855122 0.42083667 4.86727781 1.34263006 0.52207736 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1205-64-7 14569 144211932 A A 3-Methyl-N-phenylaniline Cc2cc(Nc1ccccc1)ccc2 Tox21_301615 -NCGC00256094-01 196710672 tox21-ror-cho-viability-p1 set2 4 -4.00929146 -1.32777892 -4.61655957 -4.62763532 -4.52801313 -1.08701162 -8.21473395 -14.05600343 -0.27652751 -2.34330525 -6.87802889 -5.11284321 -2.20602592 1.68248695 0.04904774 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52298-44-9 104143 144211860 A A 4-Amino-2,5-dimethoxy-N-phenylbenzenesulfonamide O=S(=O)(Nc1ccccc1)c2cc(OC)c(N)cc2OC Tox21_301543 -NCGC00255941-01 196710680 tox21-ror-cho-viability-p1 set2 4 7.85384371 0.46576721 2.7545559 -0.4104902 2.3085788 0.77216984 1.0227442 0.28718633 0.68858394 1.52202636 1.02562863 0.17086651 0.97194281 0.80286564 -0.9918661 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1205-17-0 64805 144211959 A A alpha-Methyl-3,4-methylene-dioxyhydrocinnamic aldehyde O=CC(C)Cc1ccc2OCOc2c1 Tox21_301642 -NCGC00260435-01 196711495 tox21-ror-cho-viability-p1 set2 4 21.7120023439 18.802977188 1.197022812 20 0.5 0.5558000565 0.1310019308 1.49698245 -1.50248099 1.6054528 2.39555145 1.14649499 0.72095172 2.41609551 13.92517138 2.75719326 0.91709164 9.91145398 1.82628177 12.05832379 12.68410878 15.17246859 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.954E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3839999999E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.0000923 1271-24-5 79154 144210087 Fns Bis(eta(5)-2,4-cyclopentadien-1-yl) chromium [Cr+2].[c-]1cccc1.c1[c-]ccc1 Tox21_202889 -NCGC00260213-01 196711912 tox21-ror-cho-viability-p1 set2 2.4 86.5248732759 25.184684716 2.815315284 28 0.7999999999 0.7022808166 0.0373067269 1.65616322 0.87247942 0.19723085 1.82101467 -0.15390393 6.42724272 6.62581344 6.73645535 5.3173961 5.6293936 3.70132845 4.74451686 4.79104894 10.42197571 20.08956254 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.386E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 NOCAS_49384 60196383 144209863 A A 1-Butyl-1-methylpiperidinium trifluoromethanesulfonate FC(F)(F)S([O-])(=O)=O.C[N+]1(CCCC)CCCCC1 Tox21_202665 -NCGC00357116-01 196711918 tox21-ror-cho-viability-p1 set2 4 68.5896218971 28.71124284 -1.21124284 27.5 4.9549173134 0.6147676407 0.0865207437 -1.19251393 0.86721989 1.8032693 1.5260889 2.3491888 -0.23281291 -1.20136002 -0.24017275 3.0362029 -13.9260357 -11.17918693 -0.58060787 1.84820507 0.42997754 22.27192613 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 144-74-1 12285822 251919870 A Sulfathiazole sodium [Na+].O=S(=O)([N-]c1nccs1)c2ccc(N)cc2 Tox21_303846 -NCGC00256617-01 196707284 tox21-ror-cho-viability-p1 set1 4 24.3365162115 9.6758874279 -1.1758874279 8.5 4.9549173134 0.626472061 0.079394449 0.53340108 1.2644521 -0.66123258 1.10980586 -6.20715105 -1.17709191 0.52938912 0.02976984 -2.10853498 0.6119786 -7.22990619 -0.19346133 0.09079932 10.08214548 6.92168242 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-87-9 7895 144213333 Fns 2-Pentanone CC(=O)CCC Tox21_303016 -NCGC00259712-01 196706457 tox21-ror-cho-viability-p1 set1 4 19.6855784899 18.270909148 -12.270909148 6 0.5999999999 0.4909450716 0.1866031408 -15.37047633 -4.76298853 -13.47873293 -16.89242429 -16.59784732 -5.99417974 -7.51748688 -14.06635983 -9.02921004 -13.79095631 -6.35441884 1.89858414 -10.09116069 -1.45904535 3.36188241 1.198E-9 2.679E-9 5.991E-9 1.34E-8 2.996E-8 6.698E-8 1.4979999999E-7 3.3489999999E-7 7.4889999999E-7 0.000001675 0.000003745 0.000008373 0.000018719999999 0.000041859999999 0.000093609999999 108-19-0 7913 144209361 A Imidodicarbonic diamide NC(=O)NC(N)=O Tox21_202163 -NCGC00258841-01 196706459 tox21-ror-cho-viability-p1 set1 4 0.1544904459 14.069032288 -18.069032288 -4 0.4 0.4424935651 0.231579873 -16.59130017 -11.38682884 -16.7827499 -18.39086024 -7.66054134 -14.69670805 -12.94622971 -12.73970314 -7.31227227 -12.90158885 5.1572822 -6.45227382 -6.33898693 -9.21651659 -4.97319694 1.1859999999E-9 2.651E-9 5.929E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008286 0.00001853 0.000041429999999 0.00009264 4998-76-9 2723770 144208487 A A Cyclohexylamine hydrochloride Cl.NC1CCCCC1 Tox21_201289 -NCGC00259452-01 196706866 tox21-ror-cho-viability-p1 set1 4 1.9429517713 9.8508670079 -8.8508670079 1 4.9549173134 0.6949718882 0.0405522343 -9.02984746 -6.00840697 -8.4479327 -13.20905584 -9.06924565 -11.07588184 -9.60946102 -5.48746851 -5.18137357 -7.14160029 7.68619993 -3.02065935 -0.3325286 -0.33853514 1.1038025 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.311E-7 7.405E-7 0.000001656 0.000003702 0.000008279 0.00001851 0.00004139 0.00009256 142-90-5 8906 144209101 A Fc Dodecyl 2-methylacrylate C=C(C)C(=O)OCCCCCCCCCCCC Tox21_201903 -NCGC00257169-01 196707289 tox21-ror-cho-viability-p1 set1 4 0.0685896219 3.285858832 -0.285858832 3 1.55794881 0.3358717307 0.3553288886 0.83257192 0.22762967 -0.20130574 -3.15488236 3.02613068 0.33252923 2.67082181 0.78867099 7.73264933 1.01282347 3.05396732 3.91397634 3.13239507 0.96471096 0.84925313 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-77-3 31269 144213581 F Ac Azodicarbonamide NC(=O)/N=N/C(N)=O Tox21_303264 -NCGC00257415-01 196707301 tox21-ror-cho-viability-p1 set1 4 54.4826732819 12.5 1.5 14 0.5 0.6407911612 0.0712311 0.49884347 0.84113374 2.39249717 2.40247443 1.1716256 4.03715973 1.30376942 0.93359544 3.71342112 2.05600847 3.20095715 7.74729255 7.12349571 3.22426165 10.55093725 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 51580-86-0 23667638 144213737 F F Sodium dichloro-s-triazinetrione dihydrate [Na+].O.O.ClN1C([O-])=NC(=O)N(Cl)C1=O Tox21_303426 -NCGC00256475-01 196707692 tox21-ror-cho-viability-p1 set1 4 7.55315619 3.70365192 1.56023589 0.43348315 2.58308477 2.48508139 -4.21624089 -4.37728976 2.7210427 1.98498577 4.64004827 8.24586299 -4.07215951 4.5219847 4.51714089 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 8007-70-3 144213162 M M Anise oil Tox21_302845 -NCGC00257019-01 196707712 tox21-ror-cho-viability-p1 set1 4 0.0076958822 -8.50332594 -5.64247078 -14.14579672 4.9549173134 0.355736912 0.3306536894 -5.11872565 -6.281474 -6.22384594 -18.26922662 -18.94485261 -13.27460092 -10.55234715 -14.33869172 -22.2048306 -14.56632641 -17.85761375 -6.87898165 -6.16856346 -10.5352708 -1.27234303 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 7790-98-9 24639 144213631 A Ammonium perchlorate [NH4+].[O-]Cl(=O)(=O)=O Tox21_303314 -NCGC00256660-01 196708116 tox21-ror-cho-viability-p1 set1 4 1.84956891 3.4608312 0.31732934 -0.70889945 2.0447583 -3.33322197 -0.08280388 -0.15804898 -1.40990467 -12.24167327 2.71226617 2.13306811 -4.67325795 -1.06657353 -2.48681506 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-43-6 31294 144212768 A Carbamide peroxide NC(N)=O.OO Tox21_302451 -NCGC00256495-01 196708118 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -21.5828932839 2 -19.5828932839 4.9549173134 0.6377345179 0.0718974475 2.16686268 0.17809296 1.70025973 1.94938283 0.3698543 -0.84970489 -0.12416659 6.86162008 0.11513448 1.48488616 -1.28515017 9.91073386 4.2553924 2.44423201 -13.40241107 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 396-01-0 5546 144213150 A A Triamterene Nc2nc(N)nc1nc(N)c(nc12)c3ccccc3 Tox21_302833 -NCGC00016049-07 196705223 tox21-ror-cho-viability-p1 set1 4 1.06081376 -3.00575609 1.57015503 0.66544538 -1.07367858 0.32331039 1.62189755 1.59417512 -0.4505485 -0.00875213 1.28732446 0.60192253 0.91503004 1.01216637 0.51562832 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 136-47-0 8695 170465190 A Tetracaine hydrochloride Cl.CN(C)CCOC(=O)c1ccc(NCCCC)cc1 Tox21_110290_1 -NCGC00262926-01 196704823 tox21-ror-cho-viability-p1 set1 -2.2 26.6032120037 -49.0667371358 1.2762682319 -47.7904689039 4.0949729863 0.9726540238 2.87E-7 1.84971851 2.55151487 1.35216864 -1.11500075 2.9305791 4.49526026 3.11909248 1.17582891 -1.76173254 -1.83505947 1.73240009 -1.55354876 1.77499914 -12.01791838 -42.74205742 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4274-38-8 2734678 170466706 F Fns 2-Amino-4-(trifluoromethyl)benzenethiol hydrochloride Cl.Nc1cc(ccc1S)C(F)(F)F Tox21_113922 -NCGC00095239-05 196704829 tox21-ror-cho-viability-p1 set1 4 0.82089947 2.23325195 3.60872317 -2.8620908 0.61395643 -4.23913915 0.02394265 0.36760127 0.64911356 -1.47452965 -3.20951792 -0.38785022 1.04140253 -2.28411463 4.06478357 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 621-23-8 69301 170465963 Ac 1,3,5-Trimethoxybenzene COc1cc(cc(OC)c1)OC Tox21_111489_1 -NCGC00255079-01 196720422 tox21-ror-cho-viability-p1 set3 4 10.16718568 5.66697345 15.79658284 1.47627785 2.26318759 2.28301205 4.21763157 1.21831887 -1.82708248 2.65229651 9.39876931 -3.38499305 11.02074427 7.67345969 4.99462391 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 101-05-3 7541 144211498 F F Anilazine Clc2nc(Nc1ccccc1Cl)nc(Cl)n2 Tox21_301181 -NCGC00257519-01 196720409 tox21-ror-cho-viability-p1 set3 4 8.6349217992 12.3874351359 -8.3874351359 4 0.5 0.5728643682 0.1179112888 -8.36139059 -7.2309707 -4.29163501 -16.98952928 -6.17956971 -7.71149899 -6.30872437 -5.13925358 -4.15186172 -3.42274965 -6.09975886 -4.60750025 0.4896683 0.19751004 2.0341742 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-31-7 5759 144211064 A A 2,3,6-Trichlorobenzoic acid Clc1c(C(=O)O)c(Cl)ccc1Cl Tox21_300747 -NCGC00254686-01 196720412 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -86.5336703483 1.432379163 -85.1012911853 4.5044702849 0.9316324228 0.0000453317 13.13550108 2.17983964 -2.83530781 1.2379552 -5.59491323 7.4534195 -5.87264089 -1.27270648 0.0367388 0.41624592 4.00059627 -0.82633333 3.53359913 -6.85406796 -67.54070729 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1031-07-8 13940 144211099 A A Endosulfan sulfate ClC2=C(Cl)C3(Cl)C1COS(=O)(=O)OCC1C2(Cl)C3(Cl)Cl Tox21_300782 -NCGC00254972-01 196720420 tox21-ror-cho-viability-p1 set3 4 0.0043189119 -8.7758379 9.5 0.7241621 4.9549173134 0.5549165713 0.1325784218 4.08746001 15.37741299 0.38734153 1.41691286 0.78814751 0.07602986 4.3240319 -1.06319825 1.0632039 1.17939895 0.29064811 1.20772321 0.53568078 -0.44144327 2.46397137 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 6190-65-4 22563 144211388 A A Deethylatrazine Nc1nc(NC(C)C)nc(Cl)n1 Tox21_301071 -NCGC00254494-01 196720824 tox21-ror-cho-viability-p1 set3 1.4 0.968854161 21.489931748 2.510068252 24 0.9999999999 0.8409248891 0.0044460404 3.43887272 -1.24160979 1.54541288 1.42369773 10.34690222 5.00247288 2.95777832 8.69836997 12.04376221 10.22680881 26.95447286 23.11794718 22.4431629 20.54595839 8.11000356 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 289716-94-5 9861124 144210762 A A CP-607366 Clc2ccc(Oc1ccc(F)cc1CNC)cc2Cl Tox21_300444 -NCGC00254154-01 196720844 tox21-ror-cho-viability-p1 set3 4 10.16826116 -0.99195914 9.28077145 1.56448425 18.7852376 10.02887381 0.98189293 5.70636031 7.47021538 -4.4204586 1.33397686 10.49955839 0.21561343 -1.66025667 0.78869064 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-51-6 244 144210364 A A Benzyl alcohol OCc1ccccc1 Tox21_300044 -NCGC00259489-01 196721230 tox21-ror-cho-viability-p1 set3 4 24.2622881052 11.4667439079 -8.9667439079 2.5 4.9549173134 0.4267130849 0.2465225939 -14.3839791 0.10202755 -7.91387154 -2.19801016 -13.238115 -11.88699 -8.64034353 -14.97228659 -10.5492631 -1.26149332 -11.3190011 -9.98435503 -7.03862395 2.38487377 2.36582845 1.177E-9 2.6319999999E-9 5.886E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.000003679 0.000008225 0.00001839 0.00004113 0.00009196 616-38-6 12021 144209138 FNS Dimethyl carbonate O=C(OC)OC Tox21_201940 -NCGC00257528-01 196714592 tox21-ror-cho-viability-p1 set2 4 3E-10 -40.9855201 -37.38393046 -35.87663182 -29.23766858 -16.59602757 -0.90323103 2.21723897 1.03684125 3.56715577 4.43017264 0.32685691 3.99839538 3.58231965 2.63978357 6.38100826 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25899-50-7 6433944 144211454 FC (2Z)-2-Pentenenitrile CC\C=C/C#N Tox21_301137 -NCGC00254839-01 196714186 tox21-ror-cho-viability-p1 set2 4 136.8542877692 -16.6812606761 -1.6616257559 -18.342886432 0.3 0.3262813134 0.3440760534 -2.95553764 -0.67835225 -0.517635 -1.08576296 -2.53772709 -14.45240536 -0.13468813 -0.76051559 -4.00750392 -7.17269459 -5.38578358 -6.79138492 -5.48995654 -8.73306726 -10.64090137 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84-62-8 6778 144211254 A A Diphenyl phthalate O=C(Oc1ccccc1)c3ccccc3C(=O)Oc2ccccc2 Tox21_300937 -NCGC00254304-01 196714586 tox21-ror-cho-viability-p1 set2 -2.4 34.3762428541 -29.443916868 -2.43785892 -31.881775788 0.9999999999 0.9448536227 0.0000144305 -3.39734293 -2.63118117 -0.7815491 -2.12714477 -1.86546563 -3.90263013 -1.55890256 -4.8261925 -1.51176877 -7.59499566 -4.02243502 -7.58069823 -13.56867981 -16.54296572 -25.31814649 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135080-03-4 9885850 144210782 A Ac CP-100829 O=C(C2c1cc(F)c(Cl)cc1N(C(N)=O)C2=O)c3cc(Cl)cs3 Tox21_300464 -NCGC00255026-01 196714591 tox21-ror-cho-viability-p1 set2 4 0.99802882 -0.38881238 0.60513398 -0.08571936 0.62653172 1.90892481 3.6357678 -0.12775668 -0.46461096 3.29446638 -0.83555849 3.10375228 3.87384187 -0.03103861 0.86127615 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87818-31-3 16004722 144211444 A A Cinmethylin C[C@]32CC[C@@](C[C@@H]2OCc1ccccc1C)(O3)C(C)C Tox21_301127 -NCGC00253915-01 196714608 tox21-ror-cho-viability-p1 set2 4 -4.05039938 -7.91952289 -6.88663654 -4.77914206 -4.75172517 -5.54579892 -7.9742649 -8.10567134 -5.68939666 -6.38564195 -2.81769868 -2.76565984 -5.80999358 -6.25181132 -2.93276069 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-53-0 3314 144210425 A A Eugenol Oc1ccc(cc1OC)CC=C Tox21_300105 -NCGC00274060-01 196713594 tox21-ror-cho-viability-p1 set2 -2.2 13.3331902297 -48.5604908845 1.235393249 -47.3250976355 0.9999999999 0.9530488326 0.0000059589 1.19205969 3.77889148 2.94051555 -0.02520344 1.57308204 0 0.61045939 -0.78113091 -1.58161664 -2.97427709 -2.90947176 -13.87034864 -17.84417639 -21.85443494 -41.51324354 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 171228-49-2 147912 170464963 A Posaconazole C[C@H](O)[C@H](CC)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OCC6C[C@@](Cn5cncn5)(OC6)c7ccc(F)cc7F Tox21_113620_1 -NCGC00159336-03 196712757 tox21-ror-cho-viability-p1 set2 2.2 10.5909294584 50.4623504011 0.3637003969 50.826050798 1.372261 0.9909803775 5E-10 -1.02446418 2.75695553 -0.20895784 1.37667081 1.37651413 -1.18808937 0.75676017 -0.30749054 1.43915122 1.01451818 2.94161577 12.1490564 24.70832005 33.95557971 45.91783422 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68373-14-8 130313 170465248 A Sulbactam O=S2(=O)C(C)(C)[C@@H](N1C(=O)C[C@H]12)C(=O)O Tox21_113642_1 -NCGC00159491-04 196713160 tox21-ror-cho-viability-p1 set2 4 -2.61022747 -0.98247865 -3.9880969 -2.51213665 -1.64869289 -1.63688819 -1.8921924 -3.25678981 -3.34292977 -3.88235434 -1.45344724 1.63393942 -4.75608888 -0.151096 0.5797221 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1501-84-4 15165 170465164 A Rimantadine Cl.CC(N)C12CC3CC(C1)CC(C2)C3 Tox21_111712_1 -NCGC00015452-20 196713589 tox21-ror-cho-viability-p1 set2 4 23.7101376556 -16.490772004 -0.5 -16.990772004 1.713743691 0.9597834866 0.0000026016 -1.24156686 0.23339077 -1.53893565 -1.63273871 0.82573924 -0.79880803 0.49322163 -0.76229116 -0.69098193 -1.28902631 -1.10717433 -1.09393986 -3.38389295 -7.54104913 -12.90897667 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13311-84-7 3397 170464921 A Flutamide O=C(Nc1cc(c(cc1)[N+]([O-])=O)C(F)(F)F)C(C)C Tox21_110154_1 -NCGC00253971-01 196713985 tox21-ror-cho-viability-p1 set2 -3 76.9588215421 -45.8328387629 -1.5 -47.3328387629 4.9549173134 0.9099313739 0.0001903291 -4.51391635 -4.54736568 -4.55935375 1.82291674 -3.75819012 -0.95043426 -4.08489784 -0.18179235 2.40007856 -3.77825753 -1.43585256 1.28609681 -3.53638583 0.80476612 -37.56574505 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 725228-45-5 9801235 144210569 A A AVE5638 O=C(c2ccc(C#Cc1ccccc1F)o2)N3CCC(CC3)c4cccc(CN)c4 Tox21_300249 -NCGC00254042-01 196713990 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -16.2651663119 0.5 -15.7651663119 4.9549173134 0.8909990831 0.0005074875 -0.92500408 2.48157944 0.48767728 0.7257925 0.15927958 1.09662091 0.03925051 -1.2564309 0.27301325 0.64000707 0.81658207 0.32593334 -1.04337198 1.83275249 -12.30430526 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-72-5 6984 144210367 A Ac 2-(Butan-2-yl)phenol Oc1ccccc1C(C)CC Tox21_300047 -NCGC00254910-01 196713994 tox21-ror-cho-viability-p1 set2 4 0.0306378587 -5.3267366839 0.5 -4.8267366839 3.2474983358 0.4050269104 0.2856232677 0.9946991 -0.10124673 0.93650909 0.89025754 -2.5611043 -2.88881872 -10.27228057 -8.30929014 -3.29908161 -4.54479689 -2.67758336 -0.42393805 0.03309315 -9.33827166 -0.35690256 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-88-9 7533 144211325 A Fc Cyclamic acid OS(=O)(=O)NC1CCCCC1 Tox21_301008 -NCGC00256736-01 196707361 tox21-ror-cho-viability-p1 set1 4 -1.75325523 -5.45183727 -9.06474929 0.59312777 -10.29751872 0.37829797 -4.98521171 -15.0040235 -10.13284629 -2.05082629 -16.00650943 -11.78299915 -1.62134216 -2.69564075 -7.80808891 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4927-39-3 78640 144213941 A Ac 4-Cyclohexyl-4-methyl-pentan-2-one CC(=O)CC(C)(C)C1CCCCC1 Tox21_303636 -NCGC00258820-01 196706959 tox21-ror-cho-viability-p1 set1 4 0.1389445404 7.6407354679 -9.1407354679 -1.5 0.6 0.3656895464 0.3060304975 -7.08711387 -8.83190868 -9.90058217 -4.4891835 -13.45061289 -1.98836446 -3.5347394 -2.82576277 -9.56345178 -1.51339105 -0.27697542 0.78327962 -8.12849653 -0.54721205 0.28860957 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.679E-8 1.493E-7 3.3389999999E-7 7.467E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004174 0.00009334 760-67-8 79103 144208466 D 2-Ethylhexanoyl chloride CCCCC(CC)C(Cl)=O Tox21_201268 -NCGC00090952-07 196706960 tox21-ror-cho-viability-p1 set1 4 -0.08992755 -7.59986993 -14.89378634 -9.14568628 -13.59832659 3.33484101 -6.81070202 -7.19110458 -11.9773799 -14.06544734 3.68146117 -11.25794194 -2.15466934 -1.51215676 5.88595557 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00090965-04 196707354 tox21-ror-cho-viability-p1 set1 4 12.1971512362 -13.1823585041 -9.0225141639 -22.204872668 0.4 0.521343932 0.1607409259 -11.64884384 -10.24630987 -7.55141768 -8.22385498 -6.68542847 -12.61501214 -14.33094665 -10.07226089 -16.88392874 -7.04009723 -14.42124574 -15.93231528 -18.18371281 -14.43057576 -19.33739389 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00257053-01 196707362 tox21-ror-cho-viability-p1 set1 4 -0.19360636 3.57186414 1.8105992 -12.11967797 0.50290164 0.0591972 2.72187458 -0.86222599 -6.39740117 1.05846627 -0.31444014 -0.1837829 -0.83732376 -0.36246604 5.26124978 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-18-5 7486 144213534 A Fns 1,4-Diisopropylbenzene CC(C)c1ccc(cc1)C(C)C Tox21_303217 -NCGC00259501-01 196708959 tox21-ror-cho-viability-p1 set2 4 3.19804799 -1.37519899 1.48092054 -12.97995772 -0.04968996 2.13228502 0.00752793 1.08280122 0.0486457 3.23140595 2.53179152 3.470987 5.85907364 2.5700249 4.14021814 1.1839999999E-9 2.647E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.619E-8 1.4799999999E-7 3.309E-7 7.4E-7 0.000001655 0.0000037 0.0000082729999999 0.0000185 0.00004137 0.0000925 122-20-3 24730 144209150 A A Triisopropanolamine CC(O)CN(CC(C)O)CC(O)C Tox21_201952 -NCGC00260002-01 196708954 tox21-ror-cho-viability-p1 set2 4 -0.51908909 0.22270973 -3.21038513 -4.53672031 -3.11802663 -2.08843345 -1.89109035 -0.60170033 -3.39839776 -3.66325901 -1.9480341 0.43236018 -1.8835476 -0.16756011 2.65957036 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.295E-7 7.367E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.000041179999999 0.00009209 7085-85-0 81530 144209651 FNS Ethyl cyanoacrylate N#CC(=C)C(=O)OCC Tox21_202453 -NCGC00259133-01 196708964 tox21-ror-cho-viability-p1 set2 -2.1 43.7176041855 -90.0803038194 -0.721541709 -90.8018455284 2.3331733767 0.981792191 2.76E-8 -0.55372877 -0.23010665 -3.43078988 0.47159472 -1.2010231 -0.7118852 -1.74316387 -0.78372144 -1.60752095 -2.75146268 -0.11661985 -2.10202636 -1.97333094 -47.22547324 -76.74382237 1.19E-9 2.6619999999E-9 5.951E-9 1.331E-8 2.976E-8 6.654E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.00000372 0.000008317 0.0000186 0.00004159 0.000092989999999 4130-42-1 20087 144208782 AC A 2,6-Di-tert-butyl-4-ethylphenol CC(C)(C)c1cc(cc(c1O)C(C)(C)C)CC Tox21_201584 -NCGC00259602-01 196709359 tox21-ror-cho-viability-p1 set2 4 1.00608391 0.04212022 4.62098278 1.40595439 -0.58105255 0.77116077 0.42799829 -0.00427324 1.92841566 1.6925551 0.9808031 0.42490204 -0.34548292 2.73149917 1.82900359 1.177E-9 2.6319999999E-9 5.884E-9 1.316E-8 2.942E-8 6.579E-8 1.471E-7 3.29E-7 7.356E-7 0.000001645 0.0000036779999999 0.000008224 0.00001839 0.000041119999999 0.000091939999999 103-11-7 7636 144209251 AC F 2-Ethylhexyl acrylate O=C(C=C)OCC(CCCC)CC Tox21_202053 -NCGC00258991-01 196706068 tox21-ror-cho-viability-p1 set1 4 1.23366144 7.3709175 0.59622722 1.07712838 3.06264729 3.77984749 0.19536377 2.70913544 -1.29608926 6.93530536 -0.4853282 3.42510283 3.56948534 1.45372223 2.99012972 1.175E-9 2.628E-9 5.877E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.346E-7 0.000001643 0.000003673 0.0000082129999999 0.000018359999999 0.00004107 0.000091819999999 102-50-1 7610 144208638 A A 4-Methoxy-2-methylaniline Nc1ccc(OC)cc1C Tox21_201440 -NCGC00260671-01 196705645 tox21-ror-cho-viability-p1 set1 4 30.4821390594 -23.768024324 -1.5 -25.268024324 4.9549173134 0.4773828474 0.2154990557 0.89699969 -3.3938639 -4.03322407 3.99620936 0.19965959 -0.32915905 -1.97039918 0.98678069 4.87742999 -19.50025828 -6.88016323 4.02334258 -0.05530999 -24.39002027 -6.41409486 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.468E-7 3.2829999999E-7 7.3419999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.00001835 0.00004104 0.00009177 115-86-6 8289 144208709 A A Triphenyl phosphate O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3 Tox21_201511 -NCGC00259150-01 196705659 tox21-ror-cho-viability-p1 set1 4 -9.11631042 -1.167531 -6.99473066 -13.4505324 4.56874893 -4.35944306 4.12952787 -6.90391289 -2.58582821 -6.89205512 -15.33180247 -1.0820186 1.2032328 -1.0831177 -2.01881381 1.197E-9 2.677E-9 5.986E-9 1.338E-8 2.993E-8 6.6919999999E-8 1.496E-7 3.346E-7 7.482E-7 0.000001673 0.000003741 0.000008366 0.00001871 0.00004183 0.00009353 2893-78-9 517121 144208799 Sodium dichloroisocyanurate [Na+].ClN1C(=O)[N-]C(=O)N(Cl)C1=O Tox21_201601 -NCGC00259773-01 196706059 tox21-ror-cho-viability-p1 set1 -2.2 35.990556696 -32.4019959548 -4 -36.4019959548 1.713743691 0.8366423158 0.0033147461 -3.07712066 -2.02007133 -1.30645542 -7.35872257 -10.21030256 -1.29600172 -8.04821508 -9.2114482 -4.52723754 0 -2.88864863 -4.29543312 -15.9978831 -18.04053711 -33.70555181 1.226E-9 2.742E-9 6.131E-9 1.371E-8 3.066E-8 6.855E-8 1.5329999999E-7 3.4269999999E-7 7.664E-7 0.0000017139999999 0.000003832 0.000008568 0.00001916 0.00004284 0.0000958 91-94-1 7070 144209422 A A 3,3'-Dichlorobenzidine Nc1ccc(cc1Cl)c2ccc(N)c(Cl)c2 Tox21_202224 -NCGC00259475-01 196706074 tox21-ror-cho-viability-p1 set1 4 -9.66503243 -6.01299659 -8.66019886 -6.49373587 -6.67074446 -2.42564856 -6.30936082 -4.98520117 -1.44549733 -10.60193154 5.27766033 -7.66301916 1.09663086 -2.44157349 -3.97884498 1.211E-9 2.7079999999E-9 6.056E-9 1.3539999999E-8 3.028E-8 6.771E-8 1.514E-7 3.385E-7 7.57E-7 0.000001693 0.0000037849999999 0.0000084629999999 0.00001892 0.00004232 0.00009462 62-44-2 4754 144209124 A A Phenacetin CCOc1ccc(cc1)NC(C)=O Tox21_201926 -NCGC00091088-05 196706077 tox21-ror-cho-viability-p1 set1 4 -0.02819897 -3.71893738 -4.37436739 -7.09674088 -2.98352451 -5.12129286 0.13215135 -5.17090279 2.223314 -1.54849722 -0.68186719 -1.74706176 0.20486014 2.6706418 2.47538396 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00091775-03 196706483 tox21-ror-cho-viability-p1 set1 -2.2 27.3060203028 -47.7539801029 3.5 -44.2539801029 2.7867712143 0.9716180939 3.544E-7 8.68735191 4.70172058 0.92092682 6.77091833 4.70613067 0.13576876 2.38165407 5.85611681 -0.60270311 4.78952607 1.70497965 0.57839606 -9.00175711 -32.6213798 -43.38769799 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00259489-01 196706489 tox21-ror-cho-viability-p1 set1 4 -5.30533486 -1.07146371 2.00642542 -7.57729992 -5.07997232 -4.75781006 -5.01293288 1.04680804 1.19246446 0 -0.22493487 0.42456067 0.36239324 2.38060908 1.71082578 1.177E-9 2.6319999999E-9 5.886E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.000003679 0.000008225 0.00001839 0.00004113 0.00009196 616-38-6 12021 144209138 FNS Dimethyl carbonate O=C(OC)OC Tox21_201940 -NCGC00259158-01 196706891 tox21-ror-cho-viability-p1 set1 4 -8.92670548 1.22823713 -5.40052982 -1.4447888 -10.93754234 -0.89515131 -4.24174912 -1.40262228 -3.29517039 0 -10.94463699 -5.02233299 -0.89986235 -4.97468393 -2.38360549 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 50892-23-4 5694 144208807 A A Pirinixic acid Cc2cccc(Nc1cc(Cl)nc(SCC(=O)O)n1)c2C Tox21_201609 -NCGC00091759-02 196724450 tox21-ror-cho-viability-p1 set3 4 0.0273060203 9.233064924 -5.233064924 4 1.21 0.7268188652 0.034729157 -5.19422077 -3.13860927 -4.94790131 -3.33886692 1.4666611 1.4352279 0.91357742 4.42806182 2.88730204 6.80106094 7.9783987 5.77391278 2.52143603 -0.63758757 -0.33316213 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00260631-01 196724458 tox21-ror-cho-viability-p1 set3 4 0.0074978039 11.003495076 -9.503495076 1.5 4.9549173134 0.6559185592 0.0608306424 -10.1054069 -5.4158407 -12.91957923 -5.94947537 1.91401475 0.63192327 -0.07783249 0.12391367 -0.20739119 0.31525544 4.84374452 0.41557596 -1.45272961 -2.65221274 10.26652984 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49527 144210284 M M NTP Mix107 ER1 10-EQC Tox21_203086 -NCGC00260557-01 196724533 tox21-ror-cho-viability-p1 set3 4 0.026603212 11.3082309119 -12.8082309119 -1.5 0.7 0.5879867417 0.1060879671 -12.54996704 -8.87947265 -10.16972202 -13.17352576 -7.90801786 -6.24271583 -3.51143371 -8.41456073 3.39453434 -3.42711885 -6.64555733 -1.95940519 -3.01295166 4.86882943 -3.68883407 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49453 144210210 M M NTP Mix65 CT1 62-EQP Tox21_203012 -NCGC00260135-01 196724523 tox21-ror-cho-viability-p1 set3 -1.2 3.0408793086 -36.5015975859 0.0158589299 -36.485738656 4.9549173134 0.9033482678 0.0002712091 -0.69135782 -1.58008565 1.51863512 0.61180334 2.88185836 1.92461547 -0.31068235 0.53862148 2.89436207 -10.14114319 3.1895996 -34.92044855 -40.89056019 -41.6518111 -24.08855801 5.9909999999E-10 1.34E-9 2.996E-9 6.698E-9 1.498E-8 3.349E-8 7.4889999999E-8 1.675E-7 3.7449999999E-7 8.373E-7 0.000001872 0.0000041859999999 0.000009361 0.000020929999999 0.00004681 598-64-1 221511 144209785 F Dimethyldithiocarbamic acid, dimethylamine CNC.CN(C)C(=S)S Tox21_202587 -NCGC00091586-02 196724526 tox21-ror-cho-viability-p1 set3 4 -1.52559237 4.19666574 3.52146591 -5.54322853 8.50389621 -1.3415447 -3.12623014 -5.32001674 -7.84407435 -1.37657528 -0.21931592 -2.60136893 -2.68809346 2.02246538 -0.21797884 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00356952-01 196724940 tox21-ror-cho-viability-p1 set3 4 -4.33472596 2.08881512 -0.44190044 0.40017995 5.27767294 3.49500939 3.48664292 2.04074872 5.52739418 0.00008657 -1.97072307 -0.05370542 -3.43436236 2.79265296 7.67255663 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 136-85-6 8705 251919741 F 5-Methyl-1H-benzotriazole Cc1cc2nnnc2cc1 Tox21_303925 -NCGC00357251-01 196724949 tox21-ror-cho-viability-p1 set3 4 -5.6103757 -0.92959181 -2.91369703 -0.7245739 -5.88074259 -7.13726891 -7.66597873 -4.23405303 -3.46350481 -2.68936412 -6.29228106 -2.98434901 3.67750112 -4.17234482 -1.80158374 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71441-28-6 5289501 251919756 C Arotinoid acid O=C(O)c1ccc(cc1)\C=C(/C)c2ccc3c(c2)C(C)(C)CCC3(C)C Tox21_304044 -NCGC00091502-11 196725349 tox21-ror-cho-viability-p1 set3 4 1.13165513 2.45936203 4.26816777 -0.08305714 9.93549454 7.82234089 0.98059772 6.49713317 -5.35003631 -0.19503398 -1.15978796 5.05465384 7.8555263 3.79711072 1.98373562 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 91-64-5 323 170465665 Z Coumarin O=C1C=Cc2ccccc2O1 Tox21_111141_1 -NCGC00183010-01 196725351 tox21-ror-cho-viability-p1 set3 4 1.68664141 2.15152544 -2.30704935 -0.09092658 1.88739516 -1.05888667 1.64215855 16.63364462 2.65861827 1.42674894 0.26456743 4.23930636 7.2025389 6.49360415 1.13921826 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69956-77-0 5282203 144206823 A A Pelubiprofen O=C(O)C(C)c1ccc(cc1)\C=C2/CCCCC2=O Tox21_113272 -NCGC00249910-01 196725352 tox21-ror-cho-viability-p1 set3 1.2 0.9439175816 51.9656088037 0.9632817379 52.9288905416 4.5044702849 0.9859715192 6E-9 3.94493925 -1.26661899 1.07758679 3.69878393 5.19283475 -2.00264711 0.09229605 -2.1358493 -1.38142385 20.41546132 49.47698636 52.32393257 53.63530298 47.67929608 57.60114172 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 91618-36-9 71186 170466478 A F Ibafloxacine O=C(O)C3=CN1c2c(cc(F)c(C)c2CCC1C)C3=O Tox21_113686 -NCGC00249909-01 196725364 tox21-ror-cho-viability-p1 set3 4 2.6603212004 11.916674816 0.083325184 12 0.2 0.3214640085 0.3501705237 2.42358412 4.3739297 0.95034077 1.01658879 2.32190108 6.58117401 1.86837928 7.54172961 5.08244447 7.09893067 2.95833028 -0.76389568 8.6602872 9.69556306 9.19515962 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4378-36-3 20395 170465618 A I Fenbutrazate CCC(c1ccccc1)C(=O)OCCN2CCOC(C2C)c3ccccc3 Tox21_113685 -NCGC00178826-03 196725763 tox21-ror-cho-viability-p1 set3 4 0 -1.43049655 -1.75850944 -2.92478143 -1.79834806 -3.0222209 -2.36440668 -1.83343818 -2.8778366 0.95714132 -0.16507813 -3.20903322 -3.05045737 0.7048732 0.35150358 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66-84-2 2723635 170466505 Z Glucosamine hydrochloride Cl.O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1N Tox21_111314_1 -NCGC00258665-01 196716259 tox21-ror-cho-viability-p1 set2 4 4.29449522 4.43739848 2.3936377 2.31001835 5.80823017 6.73692407 4.33300965 7.85588835 3.96607348 1.54254544 3.97367727 3.29633873 4.13791897 1.19659982 3.4222806 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.386E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 106-42-3 7809 144208311 FNS para-Xylene Cc1ccc(C)cc1 Tox21_201113 -NCGC00247680-01 196722452 tox21-ror-cho-viability-p1 set3 4 0.026380862 10.707922724 -0.207922724 10.5 4.9549173134 0.5938820806 0.1157868831 3.77870479 0.55762098 0.06620638 -4.75660227 13.49620392 16.24667506 15.20804998 8.70317961 6.70331155 8.53094591 9.74228275 3.06479414 11.83334107 11.51581577 3.13302364 1.529E-9 3.419E-9 7.645E-9 1.709E-8 3.8219999999E-8 8.547E-8 1.9109999999E-7 4.2729999999E-7 9.556E-7 0.000002137 0.0000047779999999 0.00001068 0.00002389 0.00005342 0.0001194 2922-44-3 92942 144206382 A A Dextromoramide tartrate O=C(O)[C@H](O)[C@@H](O)C(=O)O.C[C@H](CN1CCOCC1)C(c2ccccc2)(c3ccccc3)C(=O)N4CCCC4 Tox21_112829 -NCGC00167754-02 196717081 tox21-ror-cho-viability-p1 set2 4 -0.09200632 1.77065774 -4.37401309 -1.94017999 -2.63160638 -0.28095967 -2.60760661 -2.27593258 2.074957 2.39174567 -0.08855138 0.77544319 -2.19198626 2.30775412 3.89787228 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66898-62-2 48229 170466420 A Talniflumate FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)OC4OC(=O)c3ccccc34 Tox21_112584_1 -NCGC00257816-01 196716255 tox21-ror-cho-viability-p1 set2 4 62.4383774676 -18.027013856 -1 -19.027013856 3.9294729863 0.9544740274 0.0000051407 -0.90233164 -1.23133888 0.23683548 -1.08460349 -0.6365511 -1.67808796 -0.9513959 -1.82460078 0.56317532 -0.27610864 0.51653718 -2.34561511 -1.65557115 -4.09352395 -15.85584488 1.2009999999E-9 2.6849999999E-9 6.0029999999E-9 1.3419999999E-8 3.002E-8 6.712E-8 1.501E-7 3.356E-7 7.5039999999E-7 0.0000016779999999 0.0000037519999999 0.00000839 0.00001876 0.00004195 0.000093799999999 5834-17-3 22086 144207460 A A 2-Methoxy-3-aminodibenzofuran COc1cc2c3ccccc3oc2cc1N Tox21_200262 -NCGC00258684-01 196716263 tox21-ror-cho-viability-p1 set2 4 48.5577336745 -26.440071844 3.5 -22.940071844 3.0654483358 0.9410191456 0.0000207633 5.30907786 6.27565339 0.93686846 5.82658159 3.1024458 4.4280346 3.12882479 3.54210563 3.84231639 2.34751325 0.62462043 4.90157725 1.89439475 -6.31967796 -19.95005987 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.299E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.00001844 0.00004124 0.00009222 80-52-4 6650 144208330 A A 1,8-Diamino-p-menthane CC1(N)CCC(CC1)C(C)(C)N Tox21_201132 -NCGC00164164-02 196717084 tox21-ror-cho-viability-p1 set2 4 -4.2224859 -7.27518855 -0.03287715 -3.34866324 -1.09920247 -0.61869018 -1.22503502 -1.51410373 -1.02878013 -3.40694197 -6.88860733 -4.06925438 -1.33029106 0.25789244 -1.92654041 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00015798-11 196717097 tox21-ror-cho-viability-p1 set2 4 0.0375780358 7.0550153159 -9.0550153159 -2 0.7999999999 0.4645949644 0.2125492517 -8.99904453 -3.46903347 -7.82165219 -8.15766183 -13.37917943 -5.41921734 -1.53500402 -3.74123695 -0.7229768 -2.62722492 0.14658049 -2.59236032 -2.81247024 -5.10797995 -1.94699727 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5051-22-9 21138 170464682 A Dexpropranolol CC(C)NC[C@@H](O)COc2cccc1ccccc12 Tox21_110435_1 -NCGC00091050-09 196717098 tox21-ror-cho-viability-p1 set2 -1.1 0.6682424727 -94.454546918 3.546614542 -90.907932376 3.9899729863 0.9965994263 0 2.47473133 0.80283028 2.02332334 1.20573544 3.53328126 4.47747858 2.82880859 6.58095849 0.11824369 -67.00243653 -89.975832 -88.12162105 -87.25031138 -91.86446425 -92.95289609 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62-38-4 16682730 170465524 F Phenylmercuric acetate CC(=O)O[Hg]c1ccccc1 Tox21_111068_1 -NCGC00015725-15 196717099 tox21-ror-cho-viability-p1 set2 4 18.8336317891 -15.8561931679 2 -13.8561931679 2.2526478767 0.7830299554 0.0112425047 -0.70716416 1.37134685 2.87513113 1.98478766 7.08217961 5.49827097 2.50475674 0.19626803 0.37373988 -0.20804852 0.05109881 1.13772944 0.68086075 -7.57085209 -11.54682764 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51803-78-2 4495 170465612 A Nimesulide [O-][N+](=O)c2cc(Oc1ccccc1)c(cc2)NS(C)(=O)=O Tox21_110207_1 -NCGC00185741-02 196717104 tox21-ror-cho-viability-p1 set2 4 0.0029849295 5.2702507439 -1.2702507439 4 3.1319983358 0.4822147544 0.1982657077 -1.89187562 -0.30326798 0.76657171 4.12288483 4.29928959 4.0505789 8.63480039 5.59182894 2.75811341 3.09714566 5.80118153 2.5179863 2.44266273 -0.28170342 4.63949977 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 78281-72-8 151075 170465203 A Nepafenac Nc1c(cccc1CC(N)=O)C(=O)c2ccccc2 Tox21_112985_1 -NCGC00258813-01 196709021 tox21-ror-cho-viability-p1 set2 4 22.1539723275 9.4666970319 -0.4666970319 9 4.9549173134 0.9174712026 0.0001252903 0.72909739 -0.30225882 -1.83882923 -0.45328169 0.43946708 -2.05558086 0.35660885 0.36141274 -0.03221172 -0.05898325 -0.38433755 0.93146929 2.13062122 9.75175328 7.94001614 1.2009999999E-9 2.6849999999E-9 6.005E-9 1.3429999999E-8 3.002E-8 6.714E-8 1.501E-7 3.3569999999E-7 7.506E-7 0.0000016779999999 0.000003753 0.0000083919999999 0.00001876 0.00004196 0.000093819999999 61-76-7 5284443 144208459 A A Phenylephrine hydrochloride Cl.O[C@@H](CNC)c1cc(O)ccc1 Tox21_201261 -NCGC00257695-01 196716483 tox21-ror-cho-viability-p1 set2 4 1.86682638 6.65136802 3.12356551 7.55508604 5.2762823 7.37277279 4.24185239 2.74614666 4.47265117 6.80167015 0.16067745 2.77717669 -1.22137867 0.31908572 -0.42518234 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.9479999999E-8 6.591E-8 1.474E-7 3.296E-7 7.369E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 71-58-9 6279 144207339 A A Medroxyprogesterone acetate CC(=O)[C@@]3(OC(C)=O)CC[C@H]2[C@@H]4C[C@H](C)C1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_200141 -NCGC00090910-03 196709034 tox21-ror-cho-viability-p1 set2 4 0.0113759 -0.391775 -3.4205117 -3.00187231 -0.84954152 -0.18227477 -0.94091171 -0.17221461 5.01845312 0.92303121 0.5637054 -0.94948455 0.12580267 0.36290036 -1.15718824 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00258834-01 196708615 tox21-ror-cho-viability-p1 set2 4 -6.15694524 -1.63916282 -1.74233331 -11.78738385 -4.35795836 -6.23036716 1.31621001 -6.15444984 1.76421142 -5.53157703 1.62128392 1.85286459 2.9915428 -18.09843361 -5.99954305 1.165E-9 2.605E-9 5.8259999999E-9 1.303E-8 2.9129999999E-8 6.5129999999E-8 1.456E-7 3.2569999999E-7 7.282E-7 0.000001628 0.000003641 0.000008142 0.00001821 0.00004071 0.00009103 957-51-7 13728 144208480 A A Diphenamid O=C(C(c1ccccc1)c2ccccc2)N(C)C Tox21_201282 -NCGC00259098-01 196709032 tox21-ror-cho-viability-p1 set2 -2.1 63.9386270414 -92.3684386006 -2.231167149 -94.5996057496 3.2474983358 0.9745468144 1.902E-7 -2.1827768 -3.18585961 -2.26282194 -2.71692797 -3.38072605 1.85742471 -0.11683327 0.92903084 -2.32755656 -1.41113032 -0.17430914 -2.82730624 -13.18819064 -18.74107471 -75.45424678 1.2249999999E-9 2.739E-9 6.125E-9 1.37E-8 3.063E-8 6.848E-8 1.531E-7 3.4239999999E-7 7.6559999999E-7 0.0000017119999999 0.000003828 0.00000856 0.00001914 0.0000428 0.000095709999999 140-72-7 8816 144208747 A A Cetylpyridinium bromide [Br-].CCCCCCCCCCCCCCCC[n+]1ccccc1 Tox21_201549 -NCGC00259898-01 196709037 tox21-ror-cho-viability-p1 set2 4 61.3793157847 -18.7819482199 3 -15.7819482199 4.0449729863 0.9063169076 0.0002360594 0.83797503 0.0777384 2.27917746 4.0772538 2.78125575 3.08152279 2.46139944 5.36345417 3.3251986 3.35365232 4.40457999 3.88485968 2.42680047 0.01851672 -12.73495685 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 500-66-3 10377 144209547 A A Olivetol Oc1cc(CCCCC)cc(O)c1 Tox21_202349 -NCGC00259729-01 196709040 tox21-ror-cho-viability-p1 set2 -1.1 3.4726127359 -81.6881392116 -5.146485852 -86.8346250636 1.4641 0.9423182957 0.0000182598 -0.75957214 0.30081435 -2.13392932 -10.01749326 2.32277997 1.30533818 -22.2273696 -14.40278901 -17.29180133 -27.38694206 -33.36077944 -82.47310927 -83.861349 -84.14207855 -80.39858535 1.19E-9 2.661E-9 5.951E-9 1.331E-8 2.975E-8 6.653E-8 1.4879999999E-7 3.326E-7 7.438E-7 0.000001663 0.000003719 0.000008316 0.0000186 0.00004158 0.00009298 13463-41-7 26041 144209378 A A Zinc pyrithione [O-][n+]2ccccc2S[Zn]Sc1cccc[n+]1[O-] Tox21_202180 -NCGC00259544-01 196709041 tox21-ror-cho-viability-p1 set2 4 4.22759612 0.43830212 -0.12236021 -0.33959311 0.90660582 2.93924481 -0.42133963 1.9401007 2.32592135 0.54589248 2.76075221 3.97853572 6.78286592 2.66202591 1.02028512 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.9719999999E-8 6.6449999999E-8 1.486E-7 3.3219999999E-7 7.429E-7 0.0000016609999999 0.0000037149999999 0.0000083059999999 0.00001857 0.00004153 0.00009287 2814-20-2 17777 144209193 A A 2-Isopropyl-6-methyl-4-pyrimidone O=C1C=C(C)NC(=N1)C(C)C Tox21_201995 -NCGC00090708-05 196709435 tox21-ror-cho-viability-p1 set2 -2.2 21.6899429044 -60.2708787093 0.1951485069 -60.0757302024 1.4163171 0.9642594505 0.0000037281 -0.76312878 -0.87734497 -1.64156268 -1.34463393 1.52807667 2.53659811 0.18608722 0.83061271 -0.29754488 1.03659511 -2.3771781 -18.31225796 -22.82343658 -45.51191682 -25.17122076 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00258902-01 196709434 tox21-ror-cho-viability-p1 set2 -1.1 1.3643687245 -59.2026589588 0.03782158 -59.1648373788 1.4641 0.9868539735 4.1E-9 0.88069878 -0.19231371 -1.27888254 -3.33808745 0.46214229 -1.03719783 -0.44433162 -1.3786732 -18.05244551 -36.78045487 -47.20413061 -49.9286586 -54.35528024 -61.81895867 -63.74108542 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.000091989999999 70-30-4 3598 144208548 A A Hexachlorophene Clc2c(Cc1c(O)c(Cl)cc(Cl)c1Cl)c(O)c(Cl)cc2Cl Tox21_201350 -NCGC00258822-01 196709444 tox21-ror-cho-viability-p1 set2 4 2.12306535 -0.55864578 -1.04447477 -9.94689491 -4.31396403 -2.4940571 -0.55906039 -1.54788527 -0.80197298 -0.96679655 0.88142157 -3.46770524 -2.72775752 -3.22190609 0.29907947 1.167E-9 2.6109999999E-9 5.837E-9 1.305E-8 2.919E-8 6.5259999999E-8 1.459E-7 3.2629999999E-7 7.297E-7 0.0000016319999999 0.000003648 0.0000081579999999 0.000018239999999 0.000040789999999 0.000091209999999 111-21-7 8098 144208468 A A Triethylene glycol diacetate O=C(C)OCCOCCOCCOC(C)=O Tox21_201270 -NCGC00256194-01 196709859 tox21-ror-cho-viability-p1 set2 4 4.08890883 5.60668903 6.89108387 3.82564484 -0.08423176 3.02620119 0.29657169 3.52095168 2.0950636 3.55198544 0.19960497 2.56751415 -0.94684904 1.73172041 1.36089233 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 495-40-9 10315 144212662 A A Butyrophenone O=C(CCC)c1ccccc1 Tox21_302345 -NCGC00257156-01 196707308 tox21-ror-cho-viability-p1 set1 4 68.5896218971 19.8435012839 -0.8435012839 19 4.0949729863 0.4797978618 0.1969975249 2.08343392 -3.24088384 -4.3770499 -1.6790142 -3.53873795 1.74269872 -3.24687198 6.54181878 0.3395997 4.14412069 -7.78625107 -4.31235607 5.88543461 0.90563806 14.58562593 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 78-82-0 6559 144213359 FNS 2-Methylpropanenitrile CC(C)C#N Tox21_303042 -NCGC00259808-01 196706907 tox21-ror-cho-viability-p1 set1 -2.1 48.3109346869 -119.1643800501 1.5476287234 -117.6167513267 1.6258976909 0.9595535542 0.0000026046 -0.36577173 -1.66670964 -0.34716642 -0.71476504 7.94771091 0.66159118 -7.64826857 6.54488699 1.7472099 14.07164874 1.43211605 -10.72696268 -18.76673515 -48.16984446 -89.10359949 1.175E-9 2.628E-9 5.877E-9 1.314E-8 2.9389999999E-8 6.571E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003673 0.000008214 0.00001837 0.00004107 0.00009183 7487-94-7 5284416 144209457 Mercuric chloride [Hg+2].[Cl-].[Cl-] Tox21_202259 -NCGC00256752-01 196707305 tox21-ror-cho-viability-p1 set1 4 21.6899429044 7.6994165279 -5.1994165279 2.5 4.9549173134 0.3293635748 0.340467775 -2.33633519 -2.80661877 -3.97068495 -8.6141572 -0.08796031 -4.92398503 -3.13657346 -10.6100309 -2.56395208 -12.66618044 -11.88271739 -1.34587567 -3.13618199 5.49289323 -0.19974914 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 459-80-3 9989 144213025 F Geranic acid O=C(O)C=C(C)CC\C=C(/C)C Tox21_302708 -NCGC00256802-01 196707304 tox21-ror-cho-viability-p1 set1 4 2.14372956 4.63712039 -2.9238297 -2.31267438 0.38214963 1.67180541 0.54110777 0.77550171 -0.49232102 3.83723888 0.03971398 4.67621916 0.68576792 -2.30066428 7.37246668 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65416-14-0 3354132 144212918 A F Maltol isobutyrate O=C1C=COC(C)=C1OC(=O)C(C)C Tox21_302601 -NCGC00256798-01 196707319 tox21-ror-cho-viability-p1 set1 4 11.18418823 1.88339935 1.58361122 0.6947048 2.51560787 -0.06600174 3.88254777 6.42747181 12.60495243 2.10707958 1.49951038 7.61402192 10.40766033 3.10289465 10.52294862 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6290-37-5 61384 144212844 A Ac 2-Phenylethyl hexanoate CCCCCC(=O)OCCc1ccccc1 Tox21_302527 -NCGC00257377-01 196707322 tox21-ror-cho-viability-p1 set1 4 61.0684034629 -15.750929204 -0.5 -16.250929204 4.4494702849 0.4684270571 0.2077658219 -0.24576235 -4.18098125 0.57057069 7.05503638 -6.12966248 -0.54386486 0.1308294 -0.46197368 3.17683563 -3.29613251 -7.92056908 0.91384717 1.42099482 -3.09608329 -13.95910767 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 98730-04-2 62306 144213675 A A Benoxacor ClC(Cl)C(=O)N1c2ccccc2OCC1C Tox21_303359 -NCGC00256825-01 196707731 tox21-ror-cho-viability-p1 set1 4 4.69063641 6.31003555 1.44592851 -0.59488192 4.15640619 3.81283885 -0.58493393 10.318486 0.97285612 2.99000908 3.32258749 7.09484348 5.37441084 6.52697396 8.02811755 7.2519999999E-10 1.622E-9 3.6259999999E-9 8.108E-9 1.813E-8 4.054E-8 9.065E-8 2.0269999999E-7 4.5319999999E-7 0.0000010129999999 0.000002266 0.000005067 0.00001133 0.000025339999999 0.000056649999999 12108-13-3 60196372 144212976 Fns (Methylcyclopentadienyl)tricarbonylmanganese [Mn+].[C-]#[O+].[O+]#[C-].CC1C=[C-]C=C1.[O+]#[C-] Tox21_302659 -NCGC00256499-01 196707738 tox21-ror-cho-viability-p1 set1 4 1.68085556 -0.03612548 -0.15573535 5.09131891 1.07164091 1.61902454 4.65175874 1.14875452 10.53397258 0.1020645 1.03541444 2.71766052 7.1979271 -0.67607997 3.01270077 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1570-64-5 14855 144213205 A A 4-Chloro-2-methylphenol Cc1cc(Cl)ccc1O Tox21_302888 -NCGC00259951-01 196708559 tox21-ror-cho-viability-p1 set2 4 -2.85637544 -0.2743088 -0.55125505 0.05367605 -1.13990075 -1.51512157 1.46888408 -0.96775898 -2.10169002 -0.61624581 -1.97388568 -0.12774001 -1.54807451 -6.90496655 -0.68240756 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.00004125 0.000092249999999 64-67-5 6163 144209600 A F Diethyl sulfate O=S(=O)(OCC)OCC Tox21_202402 -NCGC00091759-02 196708572 tox21-ror-cho-viability-p1 set2 4 -4.4765841 0.22411712 0.28480239 0.7400839 -0.50020763 -1.95668011 1.87209709 2.10332694 -0.30088218 0.09784528 -0.23371749 0.54846621 0.04754102 1.4889842 -0.2938307 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00259839-01 196708969 tox21-ror-cho-viability-p1 set2 4 0.98720242 0.59461427 1.9943698 0.43789733 0.02341949 1.5584954 -0.34628872 0.52075493 1.12203222 0.35625449 -0.14283568 0.31770271 0.49917619 -0.01367974 1.43507439 1.173E-9 2.622E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.329E-7 0.0000016389999999 0.000003665 0.000008195 0.00001832 0.000040969999999 0.00009162 319-85-7 727 144209488 A F beta-Hexachlorocyclohexane Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl Tox21_202290 -NCGC00259498-01 196708970 tox21-ror-cho-viability-p1 set2 4 1.43680011 0.70727881 1.73946756 -3.16763257 -0.42990722 1.36028351 1.0822398 -0.01796454 -1.68982664 0.76556346 4.07957528 2.81827489 3.03704535 6.32632416 2.18660648 1.182E-9 2.6429999999E-9 5.91E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.304E-7 7.387E-7 0.0000016519999999 0.000003693 0.000008259 0.000018469999999 0.00004129 0.00009234 934-32-7 13624 144209147 A A 2-Aminobenzimidazole Nc1nc2ccccc2n1 Tox21_201949 -NCGC00094854-07 196704839 tox21-ror-cho-viability-p1 set1 4 0.81780387 5.93821268 1.48798712 0.40407965 0.60499762 6.94816066 2.00031164 6.01166152 5.14587586 0.03577389 6.6632418 0.62336645 1.7492267 2.38210827 0.82074027 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97-59-6 204 170465460 Z Allantoin O=C1NC(=O)NC1NC(=O)N Tox21_110395_1 -NCGC00255124-01 196727858 tox21-ror-cho-viability-p1 set3 4 61.130564862 -26.748249816 -1 -27.748249816 1.331 0.7020076314 0.0373290665 -10.27285366 1.59082501 -0.32088313 0.15627228 -2.06540762 3.26565696 -0.2876203 -1.07710206 1.49680397 -2.40832258 -3.09996983 -5.73574416 -4.84521236 -8.40713354 -19.79020818 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14028-44-5 2170 144212669 A A Amoxapine Clc1ccc2Oc4ccccc4N=C(c2c1)N3CCNCC3 Tox21_302352 -NCGC00257194-01 196727440 tox21-ror-cho-viability-p1 set3 4 34.3762428541 -17.2883930679 0.5 -16.7883930679 0.8999999999 0.7833530911 0.0111700297 -0.0426733 4.0747034 2.03880672 2.22418375 -1.85503829 -0.11580325 1.18874128 -0.5151438 -4.80697482 -0.73236263 -1.20766084 -4.31361351 -3.6952504 -7.33990858 -14.82366089 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13684-63-4 24744 144213361 D Phenmedipham O=C(Oc1cccc(c1)NC(=O)OC)Nc2cc(C)ccc2 Tox21_303044 -NCGC00255411-01 196728276 tox21-ror-cho-viability-p1 set3 4 2.08498182 3.20499636 3.01678145 0.27455297 2.71986011 -0.38700106 2.26205563 -2.96942685 3.86146629 3.45666647 4.36274523 1.72381126 1.25876841 1.01188224 1.82143344 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1928-38-7 1488 144211739 A A 2,4-D-methyl Clc1cc(Cl)ccc1OCC(=O)OC Tox21_301422 -NCGC00256273-01 196728280 tox21-ror-cho-viability-p1 set3 4 0.0019331182 21.818070196 -3.818070196 18 4.0949729863 0.4452832632 0.2454855556 -1.09839183 13.70793117 11.71507745 23.03375765 14.26821099 11.62035594 19.4825646 21.47518561 7.59587637 14.40405272 25.87964438 23.08472215 27.78818668 16.81609384 9.98824498 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 928-95-0 5318042 144212156 A (E)-2-Hexen-1-ol CCC\C=C\CO Tox21_301839 -NCGC00255372-01 196728282 tox21-ror-cho-viability-p1 set3 4 25.2052804188 16.9897632719 -2.9897632719 14 4.9549173134 0.5773442839 0.113692317 5.28855288 -5.35014882 -1.71283979 -8.00298833 4.6206748 -5.55161709 -3.93747899 -8.16653276 -3.06238542 -11.65813606 -2.06800913 3.6678589 -2.36427035 16.20822279 11.04996681 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 813-78-5 13134 144211728 F Bc Dimethyl phosphate O=P(O)(OC)OC Tox21_301411 -NCGC00256023-01 196728283 tox21-ror-cho-viability-p1 set3 4 0.6109953 3.17556908 2.10337906 -0.40718678 2.03742899 -1.32714437 -1.2786441 2.10302746 0.1011421 -2.42551214 -1.88407527 -1.80068119 1.23208741 -0.78682081 1.96962047 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 472-66-2 61124 144212601 Z F 2,6,6-Trimethyl-1-cyclohexene-1-acetaldehyde CC=1CCCC(C)(C)C=1CC=O Tox21_302284 -NCGC00255523-01 196728286 tox21-ror-cho-viability-p1 set3 4 1.76551231 -2.81027898 3.1409233 1.53084033 2.11745628 1.6651143 3.48178578 2.45562034 3.65492081 2.69100907 2.70126608 1.78495759 0.61819845 0.19310118 -1.51804007 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 71626-11-4 51369 144211874 A A Benalaxyl CC(N(C(=O)Cc1ccccc1)c2c(C)cccc2C)C(=O)OC Tox21_301557 -NCGC00258954-01 196721709 tox21-ror-cho-viability-p1 set3 4 33.9920544223 8.2336956679 -2.2336956679 6 4.0949729863 0.3936037564 0.2799882721 -6.44474639 0.94333624 -1.49859623 5.14156604 -4.4883172 -3.80128781 -3.4092038 -3.86088558 -3.18216605 2.10065758 -3.92489478 -3.11632057 -0.15071658 2.70329542 6.1096728 1.1689999999E-9 2.615E-9 5.8469999999E-9 1.3069999999E-8 2.9229999999E-8 6.537E-8 1.462E-7 3.268E-7 7.308E-7 0.0000016339999999 0.0000036539999999 0.0000081709999999 0.00001827 0.00004086 0.000091349999999 112-63-0 5284421 144208601 A Ac Methyl linoleate O=C(CCCCCCC/C=C\C/C=C\CCCCC)OC Tox21_201403 -NCGC00016000-13 196721320 tox21-ror-cho-viability-p1 set3 -1.2 0.2219825075 -28.0943932655 -2.169446521 -30.2638397865 2.4063783767 0.9156873803 0.000135484 -8.02706046 -4.49645347 -0.63499991 7.51279057 -4.53069464 -5.87116169 -8.98696079 -23.95179364 -31.35646156 -30.23527822 -34.18167464 -26.60832706 -32.61657929 -23.78519711 -30.86105781 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00259526-01 196721704 tox21-ror-cho-viability-p1 set3 4 -0.39054749 -2.37140248 2.06831416 -7.337307 -3.58904078 -1.75787759 -2.99430465 -3.09954131 -2.09219604 -1.12194702 -0.0833907 -3.4128591 1.03563808 0.22285873 -1.14730062 1.1689999999E-9 2.614E-9 5.844E-9 1.3069999999E-8 2.922E-8 6.5339999999E-8 1.461E-7 3.267E-7 7.305E-7 0.0000016329999999 0.000003653 0.000008167 0.00001826 0.00004084 0.000091309999999 100-63-0 7516 144209175 D Phenylhydrazine NNc1ccccc1 Tox21_201977 -NCGC00259897-01 196721706 tox21-ror-cho-viability-p1 set3 4 -6.29566385 -4.17228546 0.49018282 -6.15757671 -1.92644914 -5.03066438 -6.92675944 -2.35161938 -7.03645142 1.86021244 -4.93753452 -0.26048957 -3.13200719 -2.8916827 -4.29646234 1.171E-9 2.6189999999E-9 5.856E-9 1.31E-8 2.9279999999E-8 6.5479999999E-8 1.464E-7 3.274E-7 7.3209999999E-7 0.000001637 0.00000366 0.000008185 0.0000183 0.00004092 0.00009151 50-14-6 5280793 144209546 A F Ergocalciferol C=C3CC[C@H](O)C\C3=C\C=C1/CCC[C@]2(C)[C@H](CC[C@@H]12)[C@H](C)/C=C/[C@H](C)C(C)C Tox21_202348 -NCGC00259302-01 196721719 tox21-ror-cho-viability-p1 set3 -3 77.7421153793 -36.322172892 -4 -40.322172892 3.9899729863 0.785937105 0.0105502451 -5.42653016 -5.34292216 1.23114947 5.48641562 -5.16442296 -7.00782381 -6.42724382 -6.05520687 -6.91658828 -4.93243017 -4.0610568 -6.7852252 -5.76529228 -5.15156365 -30.26847741 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.6509999999E-8 1.487E-7 3.325E-7 7.436E-7 0.000001663 0.000003718 0.000008313 0.00001859 0.00004157 0.000092939999999 510-15-6 10522 144208951 A A Chlorobenzilate OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(=O)OCC Tox21_201753 -NCGC00256506-01 196719171 tox21-ror-cho-viability-p1 set2 4 0.36035368 0.13861963 -0.12746041 1.4886935 0.14775067 0.39898112 -0.48614914 5.43156935 1.39862625 0.89476094 0.9128287 2.68855121 0.42771783 0.4577392 1.10197543 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 79-19-6 2723789 144213300 A Thiosemicarbazide NC(=S)NN Tox21_302983 -NCGC00256508-01 196718750 tox21-ror-cho-viability-p1 set2 4 2.28493701 -0.89760881 1.07469758 -0.19091178 1.35801603 2.7888209 3.46349176 -1.14917331 1.63693382 2.58280905 4.38559609 3.96006383 2.82075676 1.87082373 1.5657532 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-99-9 2266 144213328 A A Nonanedioic acid O=C(O)CCCCCCCC(=O)O Tox21_303011 -NCGC00256661-01 196719167 tox21-ror-cho-viability-p1 set2 4 -0.08286086 -1.00040297 1.8580211 -2.93175933 -7.89625743 -7.89213745 -2.41839117 0.38619799 -1.25067158 -0.17822883 -0.26847933 -3.11320814 -7.73715115 -3.96939007 -5.32754088 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 502-72-7 10409 144212782 A Ac Cyclopentadecanone O=C1CCCCCCCCCCCCCC1 Tox21_302465 -NCGC00090704-03 196719170 tox21-ror-cho-viability-p1 set2 4 6.1130564862 6.7789931719 -1.2789931719 5.5 4.9549173134 0.405056303 0.267910855 0.42570797 -0.37332177 -0.94351606 -0.53685552 0.7293647 1.28846958 1.18035 -4.2471671 0.21683606 -6.95777441 -7.73249431 9.20748479 1.13308006 1.93438312 9.56831624 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00254682-01 196719604 tox21-ror-cho-viability-p1 set3 4 -4.82652514 2.85480472 -2.16301194 -2.61459588 -1.95581918 1.83662422 1.11548061 5.14348366 -0.17384426 -0.45823343 5.07899489 3.22309692 4.36167606 -0.16169535 1.10124573 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23422-53-9 31899 144211095 A F Formetanate hydrochloride Cl.O=C(Oc1cccc(c1)/N=C/N(C)C)NC Tox21_300778 -NCGC00253937-01 196714205 tox21-ror-cho-viability-p1 set2 4 27.2782538257 11.9131789479 -7.9131789479 4 0.5999999999 0.3440240678 0.326726071 -2.29586252 -7.68546779 -7.6994017 -11.06999015 -8.48272148 -8.38495011 -7.86430702 -8.25980439 -10.07054723 -2.23080899 -5.42692996 1.2954462 -11.59431579 2.47522108 0.33374666 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 112-34-5 8177 144210404 A A 2-(2-Butoxyethoxy)ethanol CCCCOCCOCCO Tox21_300084 -NCGC00254549-01 196714195 tox21-ror-cho-viability-p1 set2 -2.2 43.2771256911 -49.9691580427 0.5537826939 -49.4153753488 2.7202212143 0.8872300492 0.0005830652 -7.45933096 0.28233312 6.95969383 0.96433496 -1.59543244 -0.26860292 -0.47329901 4.50301869 -1.04796235 0.28541823 -0.50969791 -0.76884634 7.10204022 -27.9754496 -42.36013284 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-91-9 24814 144210958 Antimony trichloride Cl[Sb](Cl)Cl Tox21_300641 -NCGC00254710-01 196714198 tox21-ror-cho-viability-p1 set2 4 -0.66445361 1.60019896 1.45023156 0.69507822 3.34435652 0.64362646 4.78724637 -0.3621923 3.51881565 -0.21422588 -0.24994973 5.4167767 8.6260215 4.38195286 6.1409432 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 6923-22-4 5371562 144211123 A B Monocrotophos O=P(OC)(OC)OC(\C)=C\C(=O)NC Tox21_300806 -NCGC00254873-01 196714204 tox21-ror-cho-viability-p1 set2 4 -2.06317935 -4.75927919 -1.4319178 -2.33905938 -3.14459248 -0.89885566 -3.66213955 -4.10637618 -3.36356741 -0.031376 -1.08029359 -3.89463587 -0.0686537 -0.81573637 -6.5226756 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-79-8 5430 144211287 A A Thiabendazole n1c3ccccc3nc1c2cscn2 Tox21_300970 -NCGC00255010-01 196714214 tox21-ror-cho-viability-p1 set2 -2.4 68.5896218971 -28.268907 1 -27.268907 4.9549173134 0.9176165838 0.0001211747 -1.15044544 -0.87766123 -0.34775004 1.38386208 -0.29857618 -0.07009043 2.42517363 2.73274371 3.31198717 3.00369397 3.44257766 -1.77379724 0.04266087 0.6190239 -22.3074225 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119446-68-3 86173 144211427 A A Difenoconazole Clc1ccc(cc1)Oc2ccc(c(Cl)c2)C4(Cn3ncnc3)OCC(C)O4 Tox21_301110 -NCGC00254401-01 196714617 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -17.2572142319 2 -15.2572142319 4.9549173134 0.8099493542 0.0065151037 1.26434828 3.29569815 1.92262011 1.24294704 0.34171483 1.2421738 1.79119865 -1.51912216 1.6836752 2.38870242 3.09837841 5.20513168 3.47216766 3.77659025 -11.88101186 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-42-5 8184 144210866 A A 1-Undecanol CCCCCCCCCCCO Tox21_300548 -NCGC00090686-07 196714631 tox21-ror-cho-viability-p1 set2 4 3.0637858693 10.472635184 -4.472635184 6 1.4641 0.5966957551 0.0995188442 -1.43934152 -2.62560856 -0.10742226 -6.47038454 -5.84497116 -6.5326082 -4.3855918 -12.06052932 1.118056 -2.22895324 0.41407122 8.2683293 -0.73471388 7.46792907 7.84957101 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00254726-01 196715029 tox21-ror-cho-viability-p1 set2 4 -1.85789326 4.04856917 0.4070969 2.5100493 -0.60870227 -0.63530023 2.11826905 -1.29824819 3.39008001 6.06416273 2.83642136 -2.3146924 3.00315288 3.85771459 3.74734925 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117718-60-2 91776 144211139 A A Thiazopyr CC(C)Cc1c(c(nc(C(F)F)c1C(=O)OC)C(F)(F)F)C2=NCCS2 Tox21_300822 -NCGC00256641-01 196707398 tox21-ror-cho-viability-p1 set1 4 21.6899429044 9.2743045119 -3.2743045119 6 4.9549173134 0.405043976 0.2859120192 -2.72808466 -7.72905621 -3.86878519 -3.78762693 0.04587674 0.31130914 -0.42060959 -1.21784203 -0.84345432 -9.39525376 -2.28276725 -5.20455279 -0.5787451 5.51001703 -2.62751926 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1124-63-6 70763 144213937 A A 3-Cyclohexylpropan-1-ol OCCCC1CCCCC1 Tox21_303632 -NCGC00257359-01 196707402 tox21-ror-cho-viability-p1 set1 4 21.6899429044 10.6091064959 -5.1091064959 5.5 4.9549173134 0.4327246795 0.2409782304 -2.77372076 -1.46299842 -0.67057764 -5.54550806 -1.21084051 -3.40716357 -7.94255703 -6.07829366 0.13208716 -16.34092208 -10.43454407 -5.32998184 -1.5224307 5.78607786 4.83648395 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 79917-90-1 2734161 144213916 A 1-Butyl-3-methylimidazolium chloride [Cl-].CCCCn1cc[n+](C)c1 Tox21_303611 -NCGC00256460-01 196707395 tox21-ror-cho-viability-p1 set1 4 -2.37299338 0.16949705 -4.67506476 -4.1812788 -4.5312178 -0.39585726 -0.25383758 -2.2926299 -3.7968293 3.21408172 -4.34066542 0.46390897 1.06620706 -0.58343367 4.8600721 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-02-8 6998 144213246 D Bc Salicylaldehyde O=Cc1ccccc1O Tox21_302929 -NCGC00256758-01 196707397 tox21-ror-cho-viability-p1 set1 4 -7.80125632 3.20539762 -10.93967874 -3.58511898 -0.38919091 -0.21709336 2.83980283 -0.27875626 0.36015448 -8.26500218 -0.86299692 -3.91041622 0.51340583 4.1387228 -8.27930102 8.9069999999E-10 1.9919999999E-9 4.453E-9 9.9579999999E-9 2.227E-8 4.979E-8 1.113E-7 2.4899999999E-7 5.5669999999E-7 0.000001245 0.000002783 0.000006224 0.000013919999999 0.00003112 0.00006959 137-06-4 8712 144212800 Z Ac 2-Methylbenzenethiol Cc1ccccc1S Tox21_302483 -NCGC00257449-01 196707806 tox21-ror-cho-viability-p1 set1 4 8.54047989 -0.2548277 4.45596403 4.18563655 1.94702346 8.32966267 0.31669587 2.05291369 9.09706585 0.06176825 3.25955297 4.17325303 4.60732512 7.19920937 0.43886675 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 132-65-0 3023 144213726 A A Dibenzothiophene c1cccc2sc3ccccc3c12 Tox21_303415 -NCGC00256684-01 196707807 tox21-ror-cho-viability-p1 set1 4 -14.87837758 -18.59703267 -13.65449599 -15.0737086 -16.10795052 -21.23367385 -15.16109677 -12.07106331 -16.85392742 -16.66656705 -20.06871204 -12.47271377 -14.15008146 -17.60832587 -13.25253862 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1331-81-3 7738 144212838 A D Methoxybenzyl alcohol COc1ccc(CO)cc1 Tox21_302521 -NCGC00256906-01 196708215 tox21-ror-cho-viability-p1 set1 4 5.23332586 0.25956653 -0.40543178 -0.50668026 -0.14071036 1.77001083 0.10725929 3.97313805 1.08846669 0.67156649 1.89897395 6.18387116 0.73874198 1.44309743 1.02223431 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5435-64-3 21574 144213018 F 3,5,5-Trimethylhexanal CC(C)(C)CC(C)CC=O Tox21_302701 -NCGC00257195-01 196708224 tox21-ror-cho-viability-p1 set1 4 1.00196419 -2.86112958 -3.080396 0.3744842 -6.50367397 0.31771733 -3.4059639 -0.15388958 -0.57083753 -0.24056681 0.42211346 1.28036578 -0.33075765 3.34394255 2.07157978 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 118-48-9 8359 144213375 A A 2H-3,1-Benzoxazine-2,4(1H)-dione O=C1OC(=O)Nc2ccccc12 Tox21_303058 -NCGC00090698-04 196708230 tox21-ror-cho-viability-p1 set1 4 0.55182464 0.37410156 1.13218837 -1.28258459 0.16378312 -0.93872145 1.6402594 8.51430758 -0.80571975 -1.24796596 0.49800923 1.79950574 1.03881775 1.65920095 7.2357281 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00256553-01 196708237 tox21-ror-cho-viability-p1 set1 4 -1.08747981 2.98490925 1.72106865 4.52745563 3.536558 -0.16700728 0.48035765 4.04640633 7.5988749 0.07929111 0.23690384 -0.67824182 1.5373532 -0.20206042 4.68105141 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-51-3 6540 144213208 A A Tris(2-butoxyethyl) phosphate CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC Tox21_302891 -NCGC00259953-01 196708633 tox21-ror-cho-viability-p1 set2 4 3.11700417 1.86600103 -3.08229099 0.36416467 1.13084384 0.37324116 4.1183504 -3.01169522 -0.22606672 -1.14910971 1.23897281 1.22498547 1.92024201 3.34805327 0.28561651 1.1839999999E-9 2.647E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.618E-8 1.4799999999E-7 3.309E-7 7.399E-7 0.000001655 0.0000037 0.0000082729999999 0.0000185 0.00004136 0.000092489999999 112-34-5 8177 144209602 A A 2-(2-Butoxyethoxy)ethanol CCCCOCCOCCO Tox21_202404 -NCGC00259502-01 196708634 tox21-ror-cho-viability-p1 set2 4 3.74421423 -0.28548867 1.91573587 -0.8452249 2.12797526 3.22156776 -1.12966206 1.941539 1.75804346 -0.64316544 3.50394012 2.12596364 2.53064519 2.2218399 -0.19341955 1.1919999999E-9 2.6659999999E-9 5.9609999999E-9 1.333E-8 2.981E-8 6.6649999999E-8 1.49E-7 3.332E-7 7.451E-7 0.0000016659999999 0.000003726 0.0000083309999999 0.00001863 0.000041649999999 0.000093139999999 2467-03-0 75576 144209151 A A 2-(4-Hydroxybenzyl)phenol Oc2ccccc2Cc1ccc(O)cc1 Tox21_201953 -NCGC00091088-05 196708636 tox21-ror-cho-viability-p1 set2 4 1.76834171 -1.04953333 2.5368431 -1.01184747 0.47739741 -0.79720687 0.51443319 -1.10444828 2.37747199 1.00516559 1.3796641 1.91433578 6.18829439 1.94699833 0.96812989 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00259507-01 196708640 tox21-ror-cho-viability-p1 set2 4 1.92010247 -0.19254413 1.12853441 -4.50068879 1.31970023 2.81916581 2.72974561 2.90566004 0.46144363 0.3729823 1.68767953 1.71660199 4.66933989 3.19798021 0.00713125 1.218E-9 2.7239999999E-9 6.091E-9 1.3619999999E-8 3.045E-8 6.81E-8 1.5229999999E-7 3.405E-7 7.6139999999E-7 0.000001702 0.0000038069999999 0.000008512 0.00001903 0.00004256 0.00009517 1563-38-8 15278 144209156 A A 2,3-Dihydro-2,2-dimethyl-7-benzofuranol Oc1cccc2CC(C)(C)Oc12 Tox21_201958 -NCGC00259562-01 196705677 tox21-ror-cho-viability-p1 set1 4 0.06401583 -0.69559706 0.77745525 -1.27929318 -1.17098702 -2.82332603 -2.54306267 -0.09880165 -7.36651475 0.8903299 -0.03570811 -0.5984794 -2.55511379 1.24495538 0.71555586 1.198E-9 2.679E-9 5.992E-9 1.34E-8 2.996E-8 6.6989999999E-8 1.4979999999E-7 3.3489999999E-7 7.4889999999E-7 0.000001675 0.000003745 0.000008373 0.000018719999999 0.00004187 0.00009362 3033-62-3 18204 144209211 A Ac Bis[2-(dimethylamino)ethyl]ether CN(C)CCOCCN(C)C Tox21_202013 -NCGC00090780-04 196706507 tox21-ror-cho-viability-p1 set1 4 6.51776668 -0.3199573 3.08896409 1.09613683 0.11497439 0.32233711 2.08063496 2.78580146 5.36559773 14.96774444 -0.65127635 1.55906219 1.15621229 -0.43837534 0.30530731 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00259148-01 196705673 tox21-ror-cho-viability-p1 set1 4 -8.17124064 -5.97347294 -12.66161091 -11.15040683 1.42607135 -2.38313453 -4.32283885 -0.52858866 -1.84895604 -12.70277237 4.8112767 -4.06723422 -5.98513896 -1.0153623 -11.75080133 1.1859999999E-9 2.651E-9 5.929E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008286 0.00001853 0.000041429999999 0.00009264 3089-11-0 62479 144208797 A A N,N,N',N',N'',N''-Hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine COCN(COC)c1nc(nc(n1)N(COC)COC)N(COC)COC Tox21_201599 -NCGC00259998-01 196706083 tox21-ror-cho-viability-p1 set1 4 26.8346328519 -14.90402598 0.5 -14.40402598 0.4 0.4695583207 0.2070686146 -0.5645619 0.44211448 0.34241157 0.32280989 -1.35951194 1.68622824 0.7718113 -0.41492132 -12.42002165 1.2484106 -1.543646 -4.1547945 -8.91265914 -8.00532031 -8.0226007 1.163E-9 2.5999999999E-9 5.8149999999E-9 1.2999999999E-8 2.9069999999E-8 6.501E-8 1.454E-7 3.2509999999E-7 7.269E-7 0.000001625 0.000003634 0.000008127 0.00001817 0.00004063 0.00009086 108-77-0 7954 144209647 2,4,6-Trichloro-s-triazine Clc1nc(Cl)nc(Cl)n1 Tox21_202449 -NCGC00091278-03 196706520 tox21-ror-cho-viability-p1 set1 4 -1.40594502 -5.36648335 -5.38213683 -5.52817008 -2.77960444 -2.95177191 0.0855368 -2.88039009 -3.85370258 0 -3.11536538 2.08371616 3.40402103 2.75986746 -6.5109278 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00259118-01 196706521 tox21-ror-cho-viability-p1 set1 -2.1 33.8874009044 -91.3147970701 -11.576843008 -102.8916400781 0.7999999999 0.8531685334 0.0020374677 -12.86389973 -5.50114595 -9.29698807 -13.79216231 -11.51280268 -8.1867267 -12.32757692 -17.94950578 -21.14993701 -25.86182918 -15.1811554 -45.51592543 -45.81270457 -40.7747573 -90.25582463 1.166E-9 2.608E-9 5.831E-9 1.304E-8 2.9149999999E-8 6.5189999999E-8 1.458E-7 3.26E-7 7.288E-7 0.0000016299999999 0.0000036439999999 0.000008149 0.00001822 0.00004074 0.00009111 137-26-8 5455 144208767 A A Thiram CN(C)C(=S)SSC(=S)N(C)C Tox21_201569 -NCGC00091650-03 196706917 tox21-ror-cho-viability-p1 set1 4 0.1722893406 9.0878269439 -11.0878269439 -2 1.6266150999 0.4801345318 0.2137142794 -10.29758143 -3.91251167 -12.57401587 -18.82318912 -7.61941684 -10.97629001 -5.15809851 -7.23502293 0.36629498 0 -5.31837409 1.00763024 -4.64989596 -6.37409394 -10.08837404 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00259206-01 196706921 tox21-ror-cho-viability-p1 set1 4 -3.17798165 -6.31154444 2.88012456 -11.30745422 3.92880147 1.18019644 0.17509011 1.16778821 7.41069437 -9.00649065 0.12010429 0.46436136 2.52524299 -0.08992614 1.61822551 1.146E-9 2.562E-9 5.7289999999E-9 1.281E-8 2.865E-8 6.405E-8 1.4319999999E-7 3.203E-7 7.1609999999E-7 0.000001601 0.0000035809999999 0.000008007 0.000017899999999 0.00004003 0.00008952 134-20-3 8635 144208855 A A Methyl 2-aminobenzoate Nc1ccccc1C(=O)OC Tox21_201657 -NCGC00259078-01 196706927 tox21-ror-cho-viability-p1 set1 -2.1 24.7578530296 -93.5679555714 0.364230513 -93.2037250584 1.01 0.9672922539 7.914E-7 4.60004131 -0.37007891 3.18726888 -5.34487822 -1.56485331 1.7158218 0.62125507 -5.12219323 1.06527928 -1.72037347 -12.16479169 -25.1721014 -42.16937999 -48.41673716 -81.75765356 1.197E-9 2.676E-9 5.9839999999E-9 1.338E-8 2.992E-8 6.69E-8 1.496E-7 3.345E-7 7.48E-7 0.000001673 0.00000374 0.000008363 0.000018699999999 0.000041819999999 0.0000935 84852-15-3 338733 144208726 A A 4-Nonylphenol, branched Oc1ccc(CCCCCCC(C)C)cc1 Tox21_201528 -NCGC00018221-08 196706930 tox21-ror-cho-viability-p1 set1 4 0.0138526068 9.1348120599 -8.6348120599 0.5 4.9549173134 0.5072980703 0.1890455062 -5.29102376 -5.92097442 -14.27901005 -4.10523063 8.19521617 1.94701721 0.1910687 -0.85586572 -1.06300244 0 -0.52603414 -5.05379109 4.04800341 -3.03919424 -5.39509194 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00259506-01 196706935 tox21-ror-cho-viability-p1 set1 4 0.0299536859 11.78848274 -9.78848274 2 1.9673362061 0.8055169894 0.0100068464 -10.6733543 -7.80540429 -11.90706895 -6.9693031 -3.58161274 -3.29140416 6.60632131 3.4215077 4.77565476 0 4.21916431 -0.12563986 0.33259805 -1.25328899 -5.03121521 1.158E-9 2.5879999999E-9 5.7879999999E-9 1.2939999999E-8 2.894E-8 6.471E-8 1.447E-7 3.235E-7 7.235E-7 0.000001618 0.000003617 0.000008089 0.000018089999999 0.00004044 0.00009043 124-17-4 31288 144209155 A A 2-(2-Butoxyethoxy)ethyl acetate CCCCOCCOCCOC(C)=O Tox21_201957 -NCGC00257191-01 196707330 tox21-ror-cho-viability-p1 set1 4 3.8813439 0.7915657 -0.02346754 -3.59774334 1.30441298 3.1132783 -5.68835277 9.25312981 5.94250793 0.38955854 3.11621532 5.14699239 3.49517859 2.09925752 -0.50442832 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 693-23-2 12736 144213625 A A Dodecanedioic acid O=C(O)CCCCCCCCCCC(=O)O Tox21_303308 -NCGC00179596-03 196722518 tox21-ror-cho-viability-p1 set3 -2.4 33.4914596268 -29.981337592 4 -25.981337592 4.9549173134 0.6960327562 0.0398994106 8.87015516 6.05211175 3.70621121 4.60629024 -1.48272252 9.53204355 -0.87486348 -1.80724382 -0.51958514 10.04103824 0.16494427 3.73553448 2.98494176 7.25465451 -21.65111466 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64872-77-1 47471 170464901 A Butoconazole nitrate [O-][N+](=O)O.Clc1ccc(cc1)CCC(Sc2c(Cl)cccc2Cl)Cn3ccnc3 Tox21_110624_1 -NCGC00164533-02 196722528 tox21-ror-cho-viability-p1 set3 4 7.4978038628 7.301339208 0.698660792 8 4.9549173134 0.5312145415 0.1700405328 2.58913833 1.16421136 3.36784395 -1.52044768 2.11338378 0.07102718 -0.14735501 2.56668217 3.06432622 -1.85704286 1.15735202 -3.58444934 7.08141713 7.1566437 -0.06322119 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 692-13-7 2468 170465982 D Buformin NC(=N)NC(=N)NCCCC Tox21_112164_1 -NCGC00263655-01 196722930 tox21-ror-cho-viability-p1 set3 4 1.1883218301 8.0917365 -0.0917365 8 1.713743691 0.6160676871 0.0862510864 -0.30899225 -2.99311375 0.18660396 0.84285074 1.04789845 0.18781793 -0.185319 0.95078382 -1.35082925 5.01238895 3.72037983 8.02990999 9.97383093 0.48296399 12.77364458 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 102518-79-6 854026 170466837 A Huperzine A CC2=C[C@H]\3CC=1NC(=O)C=CC=1[C@@](N)(C2)C/3=C\C Tox21_111603_1 -NCGC00253591-01 196722935 tox21-ror-cho-viability-p1 set3 4 5.44818995 7.33967081 3.77853969 7.97683044 9.17625457 2.50913383 -0.37238182 5.94138177 4.53009064 8.82840146 4.06733734 5.87301301 9.72091083 2.72222414 -0.59330178 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 156601-79-5 3086676 170465906 D F Nepaprazole COc4ccnc1c4CCCCC1S(=O)c2nc3ccccc3n2 Tox21_113728 -NCGC00095105-05 196722939 tox21-ror-cho-viability-p1 set3 2.4 37.5780357627 24.768038648 1.231961352 26 4.9549173134 0.7656062368 0.0152382209 1.21400735 1.73995137 -0.20894633 -0.51056773 -0.70480083 -1.47336554 -0.59439425 -0.65065193 5.84978202 4.15059077 6.09692729 4.92656606 1.84083523 -0.95541214 20.83332034 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 85-36-9 6806 170465154 F Acetrizoic acid O=C(C)Nc1c(I)c(c(I)cc1I)C(=O)O Tox21_111423_1 -NCGC00182030-01 196722942 tox21-ror-cho-viability-p1 set3 2.2 21.1316824289 58.5492345582 -2.257195479 56.2920390792 1.4163171 0.9537725301 0.0000054683 -1.59816772 -2.46474527 -2.48170365 2.47344408 -2.20372748 -3.69802668 -4.94967029 -0.67401152 -0.38353955 -7.82774198 -0.63697813 7.21039829 11.53430361 22.49332422 44.89415596 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 28002-18-8 45357485 144206509 B B Sulbenicillin disodium [Na+].[Na+].O=C([O-])[C@@H]2N3C(=O)[C@@H](NC(=O)[C@@H](c1ccccc1)S([O-])(=O)=O)[C@H]3SC2(C)C Tox21_112956 -NCGC00249937-01 196723353 tox21-ror-cho-viability-p1 set3 4 0.0016785492 -19.525189288 22 2.474810712 1.8851180601 0.7055906905 0.044207465 19.23715569 15.92483017 5.14233793 5.44377874 2.56364586 0.5786517 3.94995542 1.01728005 11.40851459 0.50465062 3.00822242 -1.68765774 -0.99830162 6.89090494 12.60515842 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84466-05-7 9861780 170465981 F A Amidoflumet Clc1cc(c(NS(=O)(=O)C(F)(F)F)cc1)C(=O)OC Tox21_113713 -NCGC00178896-05 196723356 tox21-ror-cho-viability-p1 set3 4 -1.38708066 0.39686477 -4.0326399 -2.18567339 4.58600203 4.17866733 -4.30795412 4.43742438 3.21458176 6.96125365 -2.71676077 -5.89128993 -0.33802579 1.28034786 5.68963279 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 76-90-4 6461 170465214 A Mepenzolate bromide [Br-].O=C(OC1CCC[N+](C)(C)C1)C(O)(c2ccccc2)c3ccccc3 Tox21_110367_1 -NCGC00022248-04 196723365 tox21-ror-cho-viability-p1 set3 4 0.26603212 9.276437092 -4.276437092 5 1.78848746 0.6660481209 0.055188009 0 -3.70420635 -6.89576829 -5.75309836 -8.14703091 -1.24462042 -4.57589579 0 0.06206587 4.45000562 7.90273967 3.14075323 -0.66799266 3.99106813 10.61864191 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 125-04-2 23694214 170465053 A Hydrocortisone 21-hemisuccinate sodium salt [Na+].[O-]C(=O)CCC(=O)OCC(=O)[C@@]4(O)CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_113501_1 -NCGC00256505-01 196719284 tox21-ror-cho-viability-p1 set2 -2.4 48.5577336745 -26.375935436 1.5 -24.875935436 3.0654483358 0.9686321947 6.305E-7 0.15725743 -0.5739616 1.01839971 1.94547643 1.42142843 0.45389868 2.72346688 1.54412864 2.14535879 0.67977745 4.11965296 0.73681094 0.72342483 -8.6185468 -21.56327953 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-51-4 4650 144213287 F Ac 1,4-Benzoquinone O=C1C=CC(=O)C=C1 Tox21_302970 -NCGC00256441-01 196719270 tox21-ror-cho-viability-p1 set2 4 1.9331181962 5.7463733319 -3.7463733319 2 2.8472712143 0.3943226951 0.2785958058 1.26254944 -5.62695843 0.15324294 -1.43632349 -5.16418188 -11.45531111 -5.80277371 -0.73641999 -7.27490012 0.21589136 -0.49825936 2.19105741 1.3116445 4.91370541 0.00384003 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-66-9 4911 144213245 A A Probenecid O=S(=O)(N(CCC)CCC)c1ccc(cc1)C(=O)O Tox21_302928 -NCGC00258265-01 196716290 tox21-ror-cho-viability-p1 set2 4 -0.56803398 -0.96327136 -3.25714637 -0.7265624 -0.27900332 -1.12332231 0.35196356 -1.0195899 -0.95888029 0.36409566 -0.03870325 -2.43035753 0.93108128 0.16771071 5.20905603 1.202E-9 2.688E-9 6.01E-9 1.344E-8 3.005E-8 6.719E-8 1.5019999999E-7 3.36E-7 7.5119999999E-7 0.0000016799999999 0.0000037559999999 0.0000083989999999 0.00001878 0.00004199 0.0000939 88230-35-7 8908 144207909 D Hexanol, acetate, branched and linear O=C(C)OCCCCCC Tox21_200711 -NCGC00257701-01 196715862 tox21-ror-cho-viability-p1 set2 4 5.94083682 1.34572035 1.48743769 3.73390835 0.58235359 3.22905726 3.15544517 3.1884202 4.77281042 2.62110599 0.42943401 2.77876758 1.11859526 0.22989524 1.07996949 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.976E-8 6.656E-8 1.4879999999E-7 3.3279999999E-7 7.441E-7 0.0000016639999999 0.000003721 0.000008319 0.0000186 0.0000416 0.00009301 616-21-7 12017 144207345 FNS 1,2-Dichlorobutane CCC(Cl)CCl Tox21_200147 -NCGC00258445-01 196716277 tox21-ror-cho-viability-p1 set2 4 6.1068403463 5.5643211639 -0.0643211639 5.5 4.9549173134 0.6658802511 0.0562671769 4.37072057 -1.58160016 -0.50432021 -3.80360097 -0.3528488 -0.83662872 0.90232252 0.01595386 0.32019337 0.94528198 -0.53817172 4.97179929 6.7228403 5.05889404 4.42104583 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 590-86-3 11552 144208089 F 3-Methylbutanal CC(C)CC=O Tox21_200891 -NCGC00258723-01 196716279 tox21-ror-cho-viability-p1 set2 4 -0.89452496 -1.15854404 1.02519687 0.11284068 3.2923447 -1.787998 1.24651811 5.27052623 0.25575163 0.3591176 -0.4850457 3.68526298 -0.31514645 0.40237612 5.72193311 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.629E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008287 0.00001853 0.000041429999999 0.00009265 111-16-0 385 144208369 A Ac Heptanedioic acid O=C(O)CCCCCC(=O)O Tox21_201171 -NCGC00091839-03 196716297 tox21-ror-cho-viability-p1 set2 -2.4 54.4826732819 -32.9777801 0 -32.9777801 1.92824246 0.8735668235 0.0010172685 -2.6168503 -0.05191036 -1.44250502 0.0042183 -0.14077889 1.1782389 -4.66057132 2.25641545 4.45951055 1.00054877 4.29680272 -4.05408633 -4.80568109 -10.70607051 -24.56481675 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00164077-02 196716298 tox21-ror-cho-viability-p1 set2 4 5.03859966 -0.70338614 -0.44359311 0.34773069 4.59047941 -0.84293677 -2.15898341 -0.08135868 4.05851385 -0.54484636 3.10620799 5.61384513 3.19001268 4.84203648 1.78306587 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00015209-11 196716700 tox21-ror-cho-viability-p1 set2 4 -8.9148771 -4.51199994 -8.49538194 -7.31774738 -6.94302732 -7.73355399 -2.33923585 -3.07304312 -5.38098169 -7.00691846 -4.74420617 -4.61213908 -3.17422816 -0.93262346 0.46866015 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6055-19-2 22420 170464624 A Cyclophosphamide O.O=P1(NCCCO1)N(CCCl)CCCl Tox21_110100_1 -NCGC00016049-07 196716711 tox21-ror-cho-viability-p1 set2 2.2 26.6032120037 64.0004155122 -0.000904342 63.9995111702 3.9899729863 0.9890386908 1.4E-9 -0.00628603 -0.23988397 -1.37790183 -0.84409425 -0.86700669 0.51966074 0.2106666 4.96371482 -1.70510657 0.36785964 0.56604353 -0.6001506 -0.49509394 15.74247232 57.84265801 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 136-47-0 8695 170465190 A Tetracaine hydrochloride Cl.CN(C)CCOC(=O)c1ccc(NCCCC)cc1 Tox21_110290_1 -NCGC00263567-01 196717117 tox21-ror-cho-viability-p1 set2 4 0.61673045 1.00327962 0.19408632 2.64403233 7.37381239 2.30699713 -0.05337825 0.46050698 0.90927732 6.14567609 4.73362331 1.18293413 0.66044041 0.09881803 2.28197631 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83881-52-1 55182 170465442 A Cetirizine dihydrochloride Cl.Cl.O=C(O)COCCN1CCN(CC1)C(c2ccc(Cl)cc2)c3ccccc3 Tox21_110704_1 -NCGC00016610-07 196717522 tox21-ror-cho-viability-p1 set2 4 -2.00881707 -1.03789848 0.42002317 1.28433746 1.09156191 3.56088944 0.92214901 -0.10755199 -0.84144062 -1.93262918 -0.9848647 4.4245395 -1.51456462 0.70680912 0.97066886 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2398-96-1 5510 170465508 A Tolnaftate Cc1cc(ccc1)N(C)C(=S)Oc2ccc3ccccc3c2 Tox21_110521_1 -NCGC00022662-05 196717540 tox21-ror-cho-viability-p1 set2 4 -7.21186288 -3.47336881 -2.57198687 1.46544779 -0.64959834 1.73473376 -3.08209552 -3.39276674 0.29265579 -3.89265067 2.04033511 -3.98073852 1.61886376 -1.01386829 -1.72410711 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1177-87-3 236702 170466872 A Dexamethasone acetate CC(=O)OCC(=O)[C@@]4(O)[C@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_112928_1 -NCGC00160449-04 196717545 tox21-ror-cho-viability-p1 set2 4 -1.16412756 -5.51555306 -3.91690392 1.23355478 2.7831398 -1.64550205 -0.39215152 2.47636527 1.34144709 -0.06695199 -5.46782784 -1.35112667 -6.09935303 -1.26585442 0.20634179 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17969-20-9 28858 170466565 A Fenclozic acid O=C(O)Cc1csc(n1)c2ccc(Cl)cc2 Tox21_111819_1 -NCGC00018221-08 196714652 tox21-ror-cho-viability-p1 set2 4 4.44281604 1.33390286 2.05411092 -0.22874011 1.52020758 0.45076693 -0.65626059 2.86379245 -0.55564271 -0.76337853 1.61100428 -7.6878129 2.18904206 0.60832239 1.85578448 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00258816-01 196709482 tox21-ror-cho-viability-p1 set2 4 -2.59982366 -2.29774265 -2.76371644 -0.30462345 -2.23335081 0.81844932 0.31429238 -2.14157693 1.30623357 -0.75235888 -1.53238188 1.56521018 1.41875106 -0.26799006 2.46391118 1.159E-9 2.591E-9 5.794E-9 1.2959999999E-8 2.8969999999E-8 6.478E-8 1.448E-7 3.239E-7 7.2419999999E-7 0.0000016189999999 0.0000036209999999 0.0000080969999999 0.000018109999999 0.00004049 0.00009053 384-22-5 9795 144208462 A A 1-Nitro-2-(trifluoromethyl)benzene O=[N+]([O-])c1ccccc1C(F)(F)F Tox21_201264 -NCGC00258793-01 196708650 tox21-ror-cho-viability-p1 set2 -2.2 43.7176041855 -62.9677511575 4.4381229559 -58.5296282016 3.0654483358 0.9562147739 0.0000040493 8.942368 3.49505907 7.04908749 1.00634898 5.26723018 3.76471696 6.90602227 -1.33592054 4.81148986 2.3615564 1.53013017 3.54216141 8.31995804 -26.81700701 -52.29517288 1.19E-9 2.661E-9 5.949E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003718 0.000008314 0.00001859 0.00004157 0.000092959999999 104-40-5 1752 144208439 A A 4-Nonylphenol Oc1ccc(CCCCCCCCC)cc1 Tox21_201241 -NCGC00259932-01 196709045 tox21-ror-cho-viability-p1 set2 4 68.729149849 -24.296047108 1.5 -22.796047108 2.6384283767 0.7710208008 0.0139160642 -1.93303108 3.49134009 3.14848277 2.77798439 0.40939317 3.35548688 7.21640585 2.2503119 0.35472677 -3.00083056 2.42704866 1.4452157 -1.39605858 -2.79378173 -15.66337259 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.305E-7 7.3889999999E-7 0.0000016519999999 0.0000036949999999 0.000008262 0.000018469999999 0.00004131 0.00009237 2921-88-2 2730 144209581 A B Chlorpyrifos Clc1cc(Cl)c(Cl)nc1OP(=S)(OCC)OCC Tox21_202383 -NCGC00259610-01 196709050 tox21-ror-cho-viability-p1 set2 4 0.92773547 -2.35977894 0.20556707 1.85108204 0.95509384 2.52907295 0.88298242 0.53220577 2.04314747 0.70132577 5.164629 3.9351844 4.98845559 5.22436276 4.82331051 1.2069999999E-9 2.6979999999E-9 6.033E-9 1.349E-8 3.017E-8 6.745E-8 1.5079999999E-7 3.373E-7 7.541E-7 0.0000016859999999 0.0000037709999999 0.000008432 0.00001885 0.000042159999999 0.000094269999999 57837-19-1 42586 144209259 A A Metalaxyl CC(N(C(=O)COC)c1c(C)cccc1C)C(=O)OC Tox21_202061 -NCGC00091044-02 196709876 tox21-ror-cho-viability-p1 set2 4 3.75146968 5.21690954 2.89977963 4.22319726 4.61226674 4.59175502 0.45769576 2.04962041 2.11083173 -0.7333688 0.87960436 0.40144835 0.08815522 -0.66265593 2.52242294 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00163771-03 196709881 tox21-ror-cho-viability-p1 set2 4 -4.28254641 -4.85485201 0.87450937 -1.02103589 -2.70500251 -2.30566303 -1.61144857 -0.94741444 -2.60070525 -0.10102613 -1.26976376 -0.08744037 -0.82832415 -2.30979352 1.41752285 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00255795-01 196709885 tox21-ror-cho-viability-p1 set2 4 -8.03431304 -2.5029708 -0.11756594 -3.63232887 -3.43830558 -9.30763535 -7.0165522 -7.13564185 -1.78948522 -0.09659853 -4.86728953 -1.25452826 -0.62411641 -5.108973 -2.15017404 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4620-70-6 78361 144212375 F A 2-(tert-Butylamino)ethanol CC(C)(C)NCCO Tox21_302058 -NCGC00255342-01 196709886 tox21-ror-cho-viability-p1 set2 4 30.6378586933 -15.821106116 5.5 -10.321106116 0.2 0.5435167576 0.1429382475 1.46948953 7.51916229 3.52156793 0.05042134 3.30388338 0.98581791 1.13607965 0.12503415 0.78044977 -0.5558117 -0.71890426 -1.01772243 -0.03501247 0.32620152 -7.76758843 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 72-33-3 6291 144212154 A A Mestranol COc3cc4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@@]1(O)C#C)c4cc3 Tox21_301837 -NCGC00257535-01 196709888 tox21-ror-cho-viability-p1 set2 -2.4 38.5707788719 -19.783260532 -2.5 -22.283260532 2.7867712143 0.8312109987 0.0038508244 -4.00816234 -9.15703001 -1.84867027 -3.37660917 0.27792616 -0.08800457 -3.31464069 -4.15837533 -0.31631223 -0.62955771 -2.33182962 0.26581056 -6.23114079 -12.86260203 -21.90271711 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-17-2 6872 144211618 A A Salicylanilide O=C(Nc1ccccc1)c2ccccc2O Tox21_301301 -NCGC00255744-01 196710307 tox21-ror-cho-viability-p1 set2 4 0.0017228934 23.30280798 -25.80280798 -2.5 3.5117481694 0.6377541682 0.0716990102 -20.66900665 -7.31752989 -0.01104059 -2.60370871 -7.34965649 -3.95139821 -1.11228224 0.22123941 2.60691578 2.74609525 -5.681377 -6.75473855 -1.51447694 -9.52994368 -1.04136348 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5700-49-2 21921 144212583 D A 1,2-Ethanediamine dihydriodide I.I.NCCN Tox21_302266 -NCGC00255848-01 196710312 tox21-ror-cho-viability-p1 set2 4 1.53267682 -0.32209144 0.03631625 -1.10096535 1.82983432 -1.01153822 2.38868448 2.67603853 0.03537184 1.19740986 1.35841295 -1.33818542 1.72293854 -1.00344545 0.96744592 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-96-4 2140 144212246 A A Diatrizoic acid O=C(C)Nc1c(I)c(c(I)c(NC(C)=O)c1I)C(=O)O Tox21_301929 -NCGC00091284-03 196710756 tox21-ror-cho-viability-p1 set2 4 -5.97655405 -1.52663364 -0.72670499 1.31798585 -6.18124277 -1.51504653 -3.4202983 -7.29867587 -0.97556022 -4.31561202 -3.77701005 -7.35882698 -4.81325733 -3.0570145 -4.90976493 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00255406-01 196709917 tox21-ror-cho-viability-p1 set2 4 1.11542349 6.70837916 11.5473496 1.606897 0.75497946 9.76117995 6.70395108 1.00289587 6.08038931 8.5654356 0.226084 4.86663346 0.82140464 5.91167527 7.50016609 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 557-48-2 6428555 144212143 F F trans-2,cis-6-Nonadienal CCCC\C=C\C=C/C=O Tox21_301826 -NCGC00091830-04 196707755 tox21-ror-cho-viability-p1 set1 4 -12.89153166 -8.5312173 -10.89450454 -10.34749849 -13.62144047 -2.76852288 -11.17664341 -14.74295838 -15.22712525 -18.75951437 -14.46655715 -3.73871406 -9.96313363 -14.28801548 -5.53585392 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00163735-04 196707342 tox21-ror-cho-viability-p1 set1 4 -6.07891826 -3.38300989 -2.25202563 3.36718317 -1.35387326 -1.73520448 0.83475546 -5.34373727 -1.74103013 0.35252913 0.37657016 -5.54321672 0.04081145 -10.34312385 0.21042382 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00257190-01 196707751 tox21-ror-cho-viability-p1 set1 4 4.30514023 3.85983129 0.25570405 0.79630326 0.80774073 2.4145561 5.56700923 5.58745619 4.17262531 1.44582952 3.63674681 4.99159798 3.33368837 1.10540009 8.90966316 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-60-0 7198 144213610 A A Dimethyl hexahydroterephthalate COC(=O)C1CCC(CC1)C(=O)OC Tox21_303293 -NCGC00095042-06 196707752 tox21-ror-cho-viability-p1 set1 4 1.05603008 5.6891399 -2.45098279 0.68515269 2.77120199 4.81918274 1.12657197 2.28829902 3.95343956 5.17106333 4.42104386 -0.91775411 -3.09939066 6.66044258 0.0621146 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00256702-01 196707757 tox21-ror-cho-viability-p1 set1 4 0.0034271393 -12.759766164 0.942110016 -11.817656148 0.4 0.3630752992 0.3250303571 -1.71490832 -7.97801652 -5.60153595 -10.53480589 -8.37817891 -3.73287675 -5.96896266 -8.53757601 -14.61394338 -16.09804679 -12.80436268 -12.00311035 -10.74487266 -6.48717513 -6.41258397 1.177E-9 2.631E-9 5.884E-9 1.316E-8 2.942E-8 6.579E-8 1.471E-7 3.289E-7 7.355E-7 0.000001645 0.0000036779999999 0.000008223 0.00001839 0.000041119999999 0.000091939999999 1320-15-6 60196431 144212812 A F 2,4-DB-isooctyl ester Clc1cc(Cl)ccc1OCCCC(=O)OC(CC)CCCCC Tox21_302495 -NCGC00257037-01 196707765 tox21-ror-cho-viability-p1 set1 4 7.6958821542 11.1952169759 -11.1952169759 0 4.9549173134 0.5271922346 0.1711170587 -2.94435307 -5.38314332 -9.53025317 -7.50242894 -11.97289787 -12.33365931 -12.56841423 -18.07934748 -17.08488616 -12.6073299 -13.92290469 -4.83294203 1.13227231 -0.68982487 -12.02795209 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 634-66-2 12463 144213589 A Ac 1,2,3,4-Tetrachlorobenzene Clc1ccc(Cl)c(Cl)c1Cl Tox21_303272 -NCGC00256594-01 196708162 tox21-ror-cho-viability-p1 set1 4 -0.74993707 -5.89570224 1.62325681 1.99396933 1.80323614 -0.16768916 -5.66076922 -0.26810553 0.10676458 1.95201119 1.42117488 0.00475565 0.22060356 1.84323545 2.16755127 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18883-66-4 29327 144213291 D Streptozotocin O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)N(C)N=O Tox21_302974 -NCGC00256891-01 196708165 tox21-ror-cho-viability-p1 set1 4 43.2331187906 -13.9268187879 1 -12.9268187879 2.2526478767 0.9332976296 0.0000409471 0.23400767 0.98120733 0.90042571 1.05976546 2.26387744 1.54037671 3.06744073 -0.20714998 0.26348322 0.36850473 1.51997275 -0.40798047 0.05339109 -6.25693165 -10.77234899 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.000018429999999 0.0000412 0.000092129999999 57646-30-7 42504 144212806 A A Furalaxyl O=C(N(C(C)C(=O)OC)c1c(C)cccc1C)c2ccco2 Tox21_302489 -NCGC00256365-01 196708166 tox21-ror-cho-viability-p1 set1 4 -1.42156477 3.15801988 0.78070245 -7.73585195 -15.42676936 -4.53199999 -12.73498444 -1.87181681 -5.0327579 -18.34755136 2.32318007 -1.48502543 1.62702683 3.85122584 4.36913557 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 814-80-2 13144 144213213 Ac Calcium lactate [Ca+2].CC(O)C([O-])=O.[O-]C(=O)C(C)O Tox21_302896 -NCGC00259136-01 196706524 tox21-ror-cho-viability-p1 set1 4 48.2616000528 22.100550176 -10.100550176 12 0.5 0.5668615847 0.122134635 -11.84709348 -5.26653809 -11.63677242 -13.00045848 -10.47181246 -9.58026603 -8.68376774 -8.80165668 -5.75200063 -8.65503811 4.33605143 -8.79547639 -4.34931261 -2.56343474 7.3594085 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.00009175 56-93-9 5963 144208785 A A Benzyltrimethylammonium chloride [Cl-].C[N+](C)(C)Cc1ccccc1 Tox21_201587 -NCGC00259956-01 196706122 tox21-ror-cho-viability-p1 set1 -2.4 54.0397254733 -36.640439032 0 -36.640439032 1.372261 0.6771070483 0.0490422821 7.7524095 -10.06493741 0.60213341 -4.67607736 1.54503363 1.01242383 -0.01232834 -6.4396829 3.93368121 8.37771312 0.81692861 -8.99346715 -6.11921658 -12.99015884 -27.20036586 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.551E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.000003662 0.0000081889999999 0.00001831 0.00004095 0.00009156 56-53-1 448537 144209605 A A Diethylstilbestrol Oc1ccc(cc1)C(\CC)=C(/CC)c2ccc(O)cc2 Tox21_202407 -NCGC00164168-02 196706128 tox21-ror-cho-viability-p1 set1 4 6.48809244 3.13176916 0.65603716 3.70400033 -0.02049742 4.44759805 2.65739348 8.44520345 -9.34476581 9.93672818 -7.24678764 0.26114532 -3.3988797 -8.045237 0.95929858 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00160537-04 196724194 tox21-ror-cho-viability-p1 set3 4 -3.82658552 3.76768028 -5.67090612 3.1179384 4.42787553 -1.34686453 1.73519071 1.7989233 -0.47846508 5.70309295 -1.18625986 4.8809623 -0.89316534 -1.10505971 0.44939319 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00357141-01 196724191 tox21-ror-cho-viability-p1 set3 4 -0.383324 8.36589295 -2.16801443 4.14366156 0.97170187 -2.1778973 6.86430199 1.9763575 1.00456643 2.74305794 -0.22873234 -2.59775784 -0.55570943 -3.20214849 2.627637 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-08-5 8871 251919869 A 2-Pyridone O=C1C=CC=CN1 Tox21_303883 -NCGC00357103-01 196724196 tox21-ror-cho-viability-p1 set3 4 -3.43431484 2.21346775 2.34512779 -1.08680528 1.46827724 -2.23414101 3.33693443 3.44033952 3.85729095 2.44661077 5.35203619 0.95952305 1.88057185 -0.22040288 12.01409806 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 NOCAS_47218 23665763 251919727 Sodium bisulfite, mixture of NaHSO3 and Na2S2O5 [Na+].[O-]S(=O)O Tox21_303826 -NCGC00015675-08 196724197 tox21-ror-cho-viability-p1 set3 4 -5.55073003 0.67688668 -2.92322857 -0.77735544 2.72794455 -3.44018816 1.10908414 -0.21576804 -0.36507321 4.01611306 -1.86013556 5.25967122 -3.49150816 -0.65337565 6.96094164 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00357052-01 196724198 tox21-ror-cho-viability-p1 set3 4 38.5707788719 11.3985195199 -2.3985195199 9 1.8851180601 0.341190697 0.3290358423 -5.97943575 -9.0820996 4.25169054 -2.16571124 -1.433962 4.05223244 -0.63116478 -6.40167149 -8.49984239 -5.25805025 2.88954481 -1.27349269 -1.421685 3.36436556 7.90370271 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3120-74-9 18391 251919894 A 3-Methyl-4-(methylthio)phenol Cc1cc(O)ccc1SC Tox21_303747 -NCGC00260525-01 196724199 tox21-ror-cho-viability-p1 set3 4 0.5448267328 5.0515089 -2.5515089 2.5 4.9549173134 0.452234497 0.241528789 -4.64864637 -2.73212913 2.13635761 1.11663064 -5.45959075 0.80704945 -5.20257987 -4.70545616 2.97596415 1.83300257 4.98701988 2.68424889 1.53010676 0.17565171 -11.99828599 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.00001844 0.000041219999999 0.00009218 65055-17-6 2736548 144210177 F F 3-Chloro-4-fluorobenzoyl chloride Fc1ccc(cc1Cl)C(Cl)=O Tox21_202979 -NCGC00095161-05 196698026 tox21-ror-cho-viability-p1 set1 4 26.6032120037 7.3807556119 -0.8807556119 6.5 4.9549173134 0.3898751009 0.2858653616 -1.34816315 -0.09070972 -0.18594394 -1.36928609 -1.46087193 0.66162798 -1.41654078 -0.42175428 -3.70106117 0.37001337 1.29110258 4.17640774 -5.73396301 1.15565547 6.01644979 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 90098-04-7 5042 170465891 A Rebamipide Clc1ccc(cc1)C(=O)NC(CC3=CC(=O)Nc2ccccc23)C(=O)O Tox21_111460_1 -NCGC00167528-02 196698040 tox21-ror-cho-viability-p1 set1 4 -3.41983871 2.71202063 0.56977571 -2.41001893 -4.90062389 -5.35289974 -1.15597674 0.98649881 1.46251301 -1.80487807 0.80581342 -3.72088464 -1.91737189 -3.04127838 -2.83643874 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122852-69-1 60758 170465416 A Alosetron hydrochloride Cl.Cc4ncnc4CN1CCc3c(C1=O)c2ccccc2n3C Tox21_112525_1 -NCGC00253932-01 196720525 tox21-ror-cho-viability-p1 set3 4 -8.34232932 -13.31128915 -5.71677412 -0.41010078 -5.69103484 -3.39201782 -6.31592408 0.20551604 -1.80394058 -1.4043916 -6.92921241 -6.40271326 -6.91788394 3.23868091 -7.4096003 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-06-1 6579 144210465 A A Acrylamide C=CC(N)=O Tox21_300145 -NCGC00254263-01 196720101 tox21-ror-cho-viability-p1 set3 2.4 0.0647713616 20.616298548 -17.616298548 3 0.3 0.7523164313 0.0188891608 -13.1264445 -17.18024879 -9.61075211 -2.39415998 -11.6031255 -5.32304832 -7.19311314 -7.82083565 -3.49718301 -2.68305148 -1.41159421 -1.52648584 0.21913147 1.26545136 1.34975426 1.125E-9 2.517E-9 5.627E-9 1.2579999999E-8 2.8139999999E-8 6.2909999999E-8 1.4069999999E-7 3.1459999999E-7 7.034E-7 0.0000015729999999 0.000003517 0.000007864 0.00001759 0.000039319999999 0.00008793 82385-42-0 443755 144210921 A F Sodium saccharin hydrate [Na+].O.O=C1[N-]S(=O)(=O)c2ccccc12 Tox21_300604 -NCGC00066947-05 196720108 tox21-ror-cho-viability-p1 set3 4 0.72630918 -0.64102521 -0.49383775 -1.88804188 -3.11240443 -0.02711208 0.46506151 0.2126546 -2.37894469 -1.6358642 -2.68860149 -2.32026059 0.41743269 0.47398551 -2.668763 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00254432-01 196720524 tox21-ror-cho-viability-p1 set3 -3 61.130564862 -51.1805398799 0.9990127439 -50.181527136 4.9549173134 0.8477169081 0.0024105533 3.55634917 1.5428042 4.88256676 -2.25900634 -2.51443425 -0.36635004 -5.94425848 4.82541207 4.97992652 -7.03332665 -4.83939414 10.90067797 5.21776649 -5.5085525 -44.10919459 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5315-79-7 21387 144210934 A A 1-Hydroxypyrene Oc4ccc1ccc2cccc3ccc4c1c23 Tox21_300617 -NCGC00253914-01 196720534 tox21-ror-cho-viability-p1 set3 4 -7.57789979 -12.89966824 -4.89420704 2.74670873 -10.87622076 -4.45742826 0.9166781 1.24206013 -2.00116769 3.39846118 -5.50089095 -5.42344101 0.40046993 -7.16812565 -0.41323506 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-50-1 7239 144210366 AC Fns 1,2-Dichlorobenzene Clc1ccccc1Cl Tox21_300046 -NCGC00254770-01 196720067 tox21-ror-cho-viability-p1 set3 -1.1 17.2114145959 -110.7568275768 13.1184158303 -97.6384117465 3.6272481694 0.9818405208 2.71E-8 6.57406569 3.15315802 10.72764889 8.30255891 10.16166044 10.46867403 15.92238409 20.75077297 21.49496282 20.1042343 14.08828011 5.33552612 -44.10839969 -95.84660301 -97.76336291 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 68694-11-1 91699 144211183 A A Triflumizole FC(F)(F)c2cc(Cl)ccc2\N=C(/COCCC)n1ccnc1 Tox21_300866 -NCGC00254173-01 196720051 tox21-ror-cho-viability-p1 set3 4 4.84301629 8.66151971 -2.15585982 12.74586963 -3.17555359 -1.39135848 -6.15086403 11.93267102 10.73234526 15.11753524 3.12523201 6.43683232 0.46207069 -2.49133417 -2.59028423 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139290-65-6 5311271 144210564 A A Volinanserin COc1cccc(c1OC)[C@H](O)C3CCN(CCc2ccc(F)cc2)CC3 Tox21_300244 -NCGC00254738-01 196720062 tox21-ror-cho-viability-p1 set3 4 6.87253991 -2.75843271 8.45920646 -4.86220537 -1.24546142 4.371161 2.6344889 0.09147478 2.83706518 -2.19904884 3.57511031 11.20003414 -1.22488269 0.55675836 3.84628759 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117337-19-6 93542 144211151 A A Fluthiacet-methyl O=C(OC)CSc3cc(/N=C1\SC(=O)N2CCCCN12)c(F)cc3Cl Tox21_300834 -NCGC00254632-01 196720065 tox21-ror-cho-viability-p1 set3 4 0.0094031147 -12.12078392 -20.37692347 -11.719779 -7.6904068 -7.36276178 -8.93386723 -7.59545092 -7.02577211 -2.8583656 -2.75661656 -4.65914452 0.3002763 -0.47089204 -2.19851848 6.4281073 1.1379999999E-9 2.544E-9 5.689E-9 1.2719999999E-8 2.8449999999E-8 6.361E-8 1.422E-7 3.18E-7 7.112E-7 0.00000159 0.000003556 0.0000079509999999 0.00001778 0.00003975 0.00008889 144550-36-7 16760189 144211043 A B Iodosulfuron-methyl-sodium [Na+].Cc2nc(NC(=O)[N-]S(=O)(=O)c1cc(I)ccc1C(=O)OC)nc(OC)n2 Tox21_300726 -NCGC00254035-01 196720459 tox21-ror-cho-viability-p1 set3 -2.1 48.5577336745 -99.477652092 -3.73100988 -103.208661972 2.4063783767 0.9797574189 5.09E-8 -2.18881135 -2.01955189 -2.78720776 -9.21253627 -6.12749316 -5.19101499 -2.96483741 -3.40103892 -7.86558403 -7.10721163 -1.02753459 -5.77954001 -4.47551911 -44.99007017 -86.00721831 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 532-27-4 10757 144210365 D 2-Chloroacetophenone O=C(CCl)c1ccccc1 Tox21_300045 -NCGC00257564-01 196715904 tox21-ror-cho-viability-p1 set2 4 5.11318329 1.76978688 -2.96870508 -3.64552509 1.85232446 3.26277497 1.09600715 4.64755083 1.68578941 6.10270814 -7.41874158 -1.51111332 0.60454377 0.46271042 1.77751072 1.171E-9 2.618E-9 5.8549999999E-9 1.3089999999E-8 2.927E-8 6.546E-8 1.464E-7 3.2729999999E-7 7.3179999999E-7 0.0000016359999999 0.0000036589999999 0.000008182 0.0000183 0.000040909999999 0.00009148 1490-04-6 1254 144207208 A A Menthol CC(C)C1CCC(C)CC1O Tox21_200010 -NCGC00258042-01 196715895 tox21-ror-cho-viability-p1 set2 4 0.01629436 3.48815907 1.50282603 -0.02569904 2.84563798 1.18382123 0.27310188 2.10652397 4.04319225 -0.47140964 1.97650788 5.68079418 -1.36476347 1.94247862 0.24283462 1.1919999999E-9 2.6659999999E-9 5.9609999999E-9 1.333E-8 2.98E-8 6.664E-8 1.49E-7 3.332E-7 7.451E-7 0.0000016659999999 0.000003725 0.00000833 0.00001863 0.000041649999999 0.00009313 10326-27-9 5284346 144207686 Barium chloride dihydrate [Ba+2].[Cl-].[Cl-].O.O Tox21_200488 -NCGC00257807-01 196715898 tox21-ror-cho-viability-p1 set2 4 1.45446006 -0.07915246 -1.2659553 -0.95158317 0.74036684 -0.75084765 -0.45071386 4.60653278 -1.08427729 0.77640281 -2.37858958 0.5350536 -0.37378399 0.64006099 -1.20621141 1.2089999999E-9 2.703E-9 6.045E-9 1.352E-8 3.022E-8 6.758E-8 1.511E-7 3.379E-7 7.556E-7 0.00000169 0.0000037779999999 0.000008448 0.00001889 0.00004224 0.000094449999999 7665-72-7 24314 144207451 AC Ac tert-Butyl glycidyl ether CC(C)(C)OCC1CO1 Tox21_200253 -NCGC00258040-01 196715900 tox21-ror-cho-viability-p1 set2 4 53.9290828027 -22.794354636 5 -17.794354636 1.17051 0.6557178436 0.0609773401 0.63994964 7.56353445 6.11792623 7.03141155 7.93463942 -0.89514325 1.87928417 5.9886197 9.48823823 7.34645098 0.06695971 0.35499743 0.87898583 -2.21435756 -11.49529553 1.1699999999E-9 2.615E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.538E-8 1.462E-7 3.269E-7 7.31E-7 0.000001635 0.0000036549999999 0.000008173 0.00001828 0.000040869999999 0.00009138 6109-97-3 62130 144207684 A B 3-Amino-9-ethylcarbazole hydrochloride Cl.Nc2cc3c1ccccc1n(CC)c3cc2 Tox21_200486 -NCGC00257560-01 196715906 tox21-ror-cho-viability-p1 set2 4 62.3136254723 20.1220582679 -2.6220582679 17.5 4.9549173134 0.7845929321 0.0108862079 -3.98366917 -5.51838189 -0.10709094 -4.19164693 -1.85136009 -5.48518665 -4.96749753 2.79052977 -0.71455691 -3.0087453 0.73547445 -2.23081931 -3.87042703 -0.38811828 15.13674902 1.1989999999E-9 2.6809999999E-9 5.995E-9 1.34E-8 2.9969999999E-8 6.7019999999E-8 1.4989999999E-7 3.351E-7 7.493E-7 0.000001676 0.000003747 0.000008378 0.00001873 0.00004189 0.00009367 62-50-0 6113 144207204 AC Ethyl methanesulfonate CS(=O)(=O)OCC Tox21_200006 -NCGC00091009-05 196716307 tox21-ror-cho-viability-p1 set2 -2.4 48.9356919594 -27.880885648 -3 -30.880885648 2.4063783767 0.6972598945 0.0393676408 0.84555593 -9.61302606 -12.6912915 -2.21891934 -1.36497978 -0.26585287 -4.40179974 -4.89848581 -3.44720956 -3.05917765 2.02116928 0.77185124 -3.07831013 -12.97469888 -24.90073804 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00260220-01 196711996 tox21-ror-cho-viability-p1 set2 4 -6.50494194 -7.48142511 -3.8387109 -5.43579535 -10.55828412 0 -13.36370139 0 -7.4637879 -5.06508314 -11.67170344 -13.48296843 0 -4.96504618 -14.08538555 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3079999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.000008269 0.000018489999999 0.00004135 0.00009245 879866-95-2 60196388 144209870 A A 1-Methyl-1-propylpiperidinium tetrafluoroborate CCC[N+]1(C)CCCCC1.F[B-](F)(F)F Tox21_202672 -NCGC00357261-01 196711546 tox21-ror-cho-viability-p1 set2 4 121.9715123619 -25.8558560639 -2.695691776 -28.5515478399 0.7999999999 0.3911979293 0.2806440671 -2.79285533 -1.56435609 -1.55947109 -3.45109043 -0.67279474 -0.49377759 -6.34978757 -0.37487432 -4.94083065 -6.6074443 -14.46528438 -2.84079684 -0.16307648 -5.09004093 -20.4596232 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6843-66-9 81284 251919803 F Dimethoxy(diphenyl)silane CO[Si](OC)(c1ccccc1)c2ccccc2 Tox21_303725 -NCGC00260604-01 196712412 tox21-ror-cho-viability-p1 set2 4 5.9557173066 7.5813688079 -1.0813688079 6.5 4.9549173134 0.596304253 0.1154309602 -0.6370209 0.09386224 0.28147628 -0.62074579 0.77498395 -4.97500677 1.49224051 0.38334091 -6.31780734 -1.68049113 -1.51564343 0 5.97065611 6.04640933 -2.4509173 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49500 144210257 M M NTP Mix7 AR1 8-EQC Tox21_203059 -NCGC00260289-01 196711992 tox21-ror-cho-viability-p1 set2 -2.4 17.515213626 -44.3791231988 -4.823817739 -49.2029409378 4.9549173135 0.6130639318 0.7233659233 -22.68903369 -12.3233322 -12.3894676 -8.46667622 -5.97275226 -26.49361462 -48.23817739 0 -26.10048366 -12.86866439 -2.5574395 -30.47940349 0 -0.56369628 -45.33132598 3.437E-10 7.686E-10 1.719E-9 3.843E-9 8.593E-9 1.921E-8 4.2959999999E-8 9.607E-8 2.148E-7 4.804E-7 0.000001074 0.000002402 0.000005371 0.000012009999999 0.00002685 127-09-3 517045 144209939 A Sodium acetate [Na+].[O-]C(C)=O Tox21_202741 -NCGC00258583-01 196712406 tox21-ror-cho-viability-p1 set2 -2.1 71.2486674121 -75.824289282 -5.964941076 -81.789230358 3.5117481694 0.9453444147 0.0000136605 -3.44256491 -5.55868565 -5.64630675 -9.07821687 -5.32347695 -0.69889751 -5.83975892 -7.69529085 -4.83736387 -9.8826073 -2.99579683 -0.74953226 -14.99174156 -15.41919631 -61.96153815 1.218E-9 2.723E-9 6.0889999999E-9 1.3619999999E-8 3.045E-8 6.808E-8 1.522E-7 3.4039999999E-7 7.611E-7 0.000001702 0.000003806 0.00000851 0.00001903 0.00004255 0.00009514 123-30-8 403 144208228 C 4-Aminophenol Nc1ccc(O)cc1 Tox21_201030 -NCGC00357236-01 196712414 tox21-ror-cho-viability-p1 set2 2.4 61.130564862 24.5353457281 1.9646542719 26.5 3.9294729863 0.9145787684 0.0001463254 1.53106204 0.05091746 3.45626154 1.73500241 -0.44612144 1.17197656 0.12930356 2.20047705 4.48732369 5.77260844 1.78046256 2.5305141 2.47914369 6.18311883 22.61804673 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 551-93-9 11086 251919909 A 2'-Aminoacetophenone O=C(C)c1ccccc1N Tox21_304027 -NCGC00260468-01 196712415 tox21-ror-cho-viability-p1 set2 4 0.193115248 -22.829407304 2.5 -20.329407304 1.4780888099 0.6436891425 0.0676853516 -3.51135069 -1.454141 6.52596063 6.9644331 4.51455604 -1.97215247 -5.56250903 -20.11773046 -6.296734 -23.1256421 -24.82241776 0 -25.56311224 -23.61037778 -29.85783942 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 518-28-5 10607 144210120 A A Podofilox COc1cc(cc(OC)c1OC)[C@H]3[C@H]2C(=O)OC[C@@H]2[C@@H](O)c4cc5OCOc5cc34 Tox21_202922 -NCGC00260030-01 196712421 tox21-ror-cho-viability-p1 set2 4 77.7421153793 17.2147417999 -5.2147417999 12 4.9549173134 0.3965508376 0.2756997229 -4.16361164 -3.33090517 -5.55101548 -3.1471933 -4.008184 -5.09317176 -1.13638304 -7.6149749 -5.97782977 0 -11.64623733 -15.1789515 0 -7.25733905 7.74563694 1.19E-9 2.66E-9 5.949E-9 1.3299999999E-8 2.9739999999E-8 6.6509999999E-8 1.487E-7 3.325E-7 7.436E-7 0.000001663 0.000003718 0.000008314 0.00001859 0.00004157 0.00009295 75-05-8 6342 144209679 AC Acetonitrile CC#N Tox21_202481 -NCGC00024749-04 196712826 tox21-ror-cho-viability-p1 set2 4 33.4914596268 9.5339645399 -0.5339645399 9 4.5044702849 0.7197465041 0.0311470381 -1.09049532 -0.04268668 1.44773282 0.27116959 -0.21423355 0.01820419 1.59370481 -0.22403552 -0.28752768 -2.26036532 -1.99208182 -2.94497045 -1.49889054 0.35852849 7.19559225 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 207572-66-5 2829432 170466157 A Pirlindole mesylate CS(=O)(=O)O.Cc1ccc2c(c1)c3CCCC4NCCn2c34 Tox21_110923_1 -NCGC00263884-02 196712832 tox21-ror-cho-viability-p1 set2 4 23.7101376556 12.6914748559 -3.6914748559 9 0.8999999999 0.7302210889 0.0266399661 -3.82441241 -5.11270737 -2.43988297 -5.15956238 -2.46973198 -4.29068732 -1.2140342 -3.73707657 -4.81595083 -1.46824866 -1.51634851 -2.14980301 1.10389209 -0.76737746 6.47616958 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 139264-17-8 60857 170464875 A Zolmitriptan CN(C)CCc2cnc1ccc(cc12)C[C@@H]3NC(=O)OC3 Tox21_111455_1 -NCGC00091146-08 196712838 tox21-ror-cho-viability-p1 set2 4 -1.77373474 0.32429689 1.37500426 -2.17119811 0.46340272 0.50484684 0.50629253 -0.35951078 -1.5036455 -3.51264353 0.89686656 0.47103352 -1.96289641 -1.41188871 -3.76063343 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 92-84-2 7108 170466563 A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_111090_1 -NCGC00016411-10 196713238 tox21-ror-cho-viability-p1 set2 4 2.97573407 0.82907462 3.12988438 2.35580598 2.32910977 -1.19512276 -0.16331206 -1.41780748 0.24100754 2.80564759 1.46494153 -0.87218803 -0.14280914 2.46396759 0.10000434 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 149-16-6 2480 170465459 A Butacaine Nc1ccc(cc1)C(=O)OCCCN(CCCC)CCCC Tox21_110428_1 -NCGC00024512-07 196713660 tox21-ror-cho-viability-p1 set2 4 0.3262944802 -8.154677452 8.5 0.345322548 4.9549173134 0.5587288954 0.1287732966 7.27074936 11.54754687 9.79756302 11.77122252 7.75984849 8.93351206 1.24246388 7.12053573 11.19842708 1.49416524 -0.16326883 -1.23943713 -4.71223121 7.78019767 0.94103557 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 407-41-0 68841 170466581 F Dexfosfoserine O=P(O)(O)OC[C@H](N)C(=O)O Tox21_112050_1 -NCGC00256615-01 196708191 tox21-ror-cho-viability-p1 set1 4 76.9588215421 13.441884724 0.558115276 14 4.9549173134 0.6561681905 0.0617440935 3.13537399 -0.73234554 -0.65902442 -0.57809609 0.11196873 -2.86823727 0.26707281 -0.13858506 0.28858928 3.39263816 0.36966846 4.07313295 1.01288768 -0.08554882 10.22510614 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 551-92-8 3090 144213306 A A 1,2-Dimethyl-5-nitroimidazole O=[N+]([O-])c1cnc(C)n1C Tox21_302989 -NCGC00256818-01 196708199 tox21-ror-cho-viability-p1 set1 4 1.75187287 3.21490685 0.92954373 0.16096149 -0.73897922 1.20322837 1.32369892 2.97105747 8.79539281 0.37042522 5.3705642 8.04726195 5.88726652 1.81179736 6.89229655 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61791-12-6 144212860 M M Cremophor EL Tox21_302543 -NCGC00163818-04 196707787 tox21-ror-cho-viability-p1 set1 -1.2 1.3007781159 -28.2779148592 -0.5 -28.7779148592 1.713743691 0.9198402875 0.0001044149 1.90934464 -2.73408478 1.81853088 -8.30653851 1.95988287 2.35721498 -2.6162582 -2.94117792 -9.69699822 -17.49697947 -21.84305646 -34.09599496 -32.85913839 -28.2195171 -22.90447342 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.00009723 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00163818-04 196707792 tox21-ror-cho-viability-p1 set1 -2.4 1.6375826252 -23.835801284 -0.5 -24.335801284 1.6258976909 0.9366487354 0.0000302948 -1.94910137 -0.35426728 -1.68253861 3.14697384 -4.4998828 1.70481827 -1.51628893 -0.71366377 -7.10885806 -13.10726256 -16.97111296 -26.65862389 -26.94650107 -24.72763358 -18.73335765 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.00009723 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00256710-01 196708204 tox21-ror-cho-viability-p1 set1 4 -5.82554688 -3.80449041 -4.61158507 -13.1514847 -4.74161765 -7.17679137 -8.02986766 -11.51100431 -3.42300137 -10.66189012 -12.93861406 -0.47575537 1.13626484 -7.8407039 -10.57034541 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 31501-11-8 5352543 144212943 A Ac (3Z)-Hex-3-en-1-yl hexanoate O=C(CCCCC)OCC/C=C\CC Tox21_302626 -NCGC00164077-02 196708206 tox21-ror-cho-viability-p1 set1 4 0.81044629 0.02600738 2.01282065 -0.36727852 0.47703879 -0.42606072 7.21411138 -0.59619579 -7.92636117 1.91432064 2.60541719 1.5245646 4.78079731 -0.20333284 1.0248126 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00258930-01 196708605 tox21-ror-cho-viability-p1 set2 4 -0.90338238 2.74212598 5.77629913 2.09091858 2.1560195 1.19029728 3.27121854 0.6178067 2.40906568 0.11447746 2.85081241 -0.75569862 -0.07615978 2.48768901 -0.2866899 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.65E-8 1.487E-7 3.325E-7 7.4339999999E-7 0.000001662 0.0000037169999999 0.000008312 0.00001859 0.00004156 0.00009293 460-00-4 9993 144208577 AC Ac 1-Bromo-4-fluorobenzene Fc1ccc(Br)cc1 Tox21_201379 -NCGC00090986-03 196709019 tox21-ror-cho-viability-p1 set2 -2.4 69.008347349 -28.6474233959 -1.5 -30.1474233959 4.9549173134 0.9236841629 0.0000814623 -1.60897629 -0.42140029 -0.6239098 -1.66290175 -0.04128885 -2.58095536 -0.91721524 -1.73730985 -2.02332325 -6.61128562 -1.56246779 0.34710931 0.26129758 -1.63075329 -25.12285283 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00259929-01 196709027 tox21-ror-cho-viability-p1 set2 4 -0.40467872 -0.27078091 0.77981466 2.89320048 0.37576701 -0.40879053 0.85371884 -2.27768477 -1.18687789 0.35287886 -2.05000254 2.09161708 1.9237108 -5.07595546 2.16318038 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.977E-8 6.656E-8 1.4879999999E-7 3.3279999999E-7 7.441E-7 0.0000016639999999 0.000003721 0.00000832 0.0000186 0.0000416 0.000093019999999 108-91-8 7965 144209578 AC Fns Cyclohexylamine NC1CCCCC1 Tox21_202380 -NCGC00259665-01 196709028 tox21-ror-cho-viability-p1 set2 4 -1.3242791 -1.60495569 -3.05952222 -4.59007209 -1.98030931 2.28082163 0.08715346 -0.17370402 -0.4958276 0.84510638 -3.07388202 -1.93578226 -0.01897112 0.8518693 -4.0380133 1.194E-9 2.671E-9 5.9709999999E-9 1.335E-8 2.986E-8 6.676E-8 1.493E-7 3.338E-7 7.464E-7 0.000001669 0.000003732 0.000008345 0.00001866 0.000041729999999 0.000093299999999 132-64-9 568 144209314 A A Dibenzofuran c1cccc2oc3ccccc3c12 Tox21_202116 -NCGC00259577-01 196709029 tox21-ror-cho-viability-p1 set2 4 1.35510838 1.15829681 3.94992039 0.75708368 1.22803782 -0.65143359 0.60694901 0.73828617 -0.29559275 0.98737719 -0.29108841 1.83532662 3.99359313 1.98395414 2.05760464 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.00000369 0.000008252 0.000018449999999 0.000041259999999 0.00009226 13593-03-8 26124 144209226 FNS Quinalphos CCOP(=S)(OCC)Oc1cnc2ccccc2n1 Tox21_202028 -NCGC00259563-01 196709439 tox21-ror-cho-viability-p1 set2 4 13.8247203072 13.7774540079 -0.7774540079 13 0.9999999999 0.6745372206 0.0507300013 0.80125972 -3.14787834 0.70434181 2.81373183 -0.74560138 -2.80443101 -1.99047144 1.12209987 0.06328309 -0.06676622 0.56437365 9.44217131 1.53443002 13.52283536 9.72422653 1.19E-9 2.661E-9 5.951E-9 1.331E-8 2.975E-8 6.653E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.000003719 0.000008317 0.0000186 0.00004158 0.00009298 79-92-5 6616 144209212 FNS Camphene CC2(C)C(=C)C1CCC2C1 Tox21_202014 -NCGC00259614-01 196709450 tox21-ror-cho-viability-p1 set2 4 0.0213815045 11.794615176 -7.294615176 4.5 0.2 0.554456096 0.1352600459 -4.43191369 -4.82884598 0.34676854 -0.97860202 0.22049461 -0.21283308 -0.10131573 0.93579539 0.49571844 0.27720128 0.11036184 0.60206857 0.34239681 1.01645682 6.69549178 1.166E-9 2.608E-9 5.832E-9 1.304E-8 2.9159999999E-8 6.521E-8 1.458E-7 3.26E-7 7.2899999999E-7 0.0000016299999999 0.000003645 0.0000081509999999 0.00001823 0.00004075 0.000091129999999 110-27-0 8042 144209263 A F Isopropyl tetradecanoic acid CC(C)OC(=O)CCCCCCCCCCCCC Tox21_202065 -NCGC00257422-01 196718860 tox21-ror-cho-viability-p1 set2 4 1.26216392 -0.16271022 3.44262083 1.41302874 -0.71419043 5.75656994 3.16310103 3.30825349 2.12334143 4.83406552 6.37125826 3.1622021 1.54224974 3.70746967 1.93207272 2.0059999999E-10 4.485E-10 1.003E-9 2.242E-9 5.014E-9 1.1209999999E-8 2.507E-8 5.6059999999E-8 1.253E-7 2.803E-7 6.267E-7 0.000001401 0.0000031339999999 0.0000070069999999 0.00001567 75-62-7 6383 144213840 Bromotrichloromethane BrC(Cl)(Cl)Cl Tox21_303534 -NCGC00256984-01 196718454 tox21-ror-cho-viability-p1 set2 4 0.50448667 -1.91059622 0.74074908 1.86730265 0.64094097 -5.05542878 -1.29008197 -6.74309963 -4.51279201 -3.04902876 -2.42411585 -4.28738298 -1.20447631 -3.50612925 -3.61050617 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 830-13-7 13246 144213365 A A Cyclododecanone O=C1CCCCCCCCCCC1 Tox21_303048 -NCGC00159417-06 196718862 tox21-ror-cho-viability-p1 set2 -2.1 31.355862613 -81.0463991398 -0.708957689 -81.7553568288 2.5884283767 0.9843202557 1.16E-8 0.09571947 -0.03050986 -3.52105065 1.66632699 -5.47860053 -3.09286108 -0.29582479 -0.05179271 -0.07042673 0.61589478 1.92774686 -2.68490816 -22.1536169 -54.69380575 -85.16183003 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008409 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00256553-01 196719308 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -14.917152476 2 -12.917152476 4.0949729863 0.5913891998 0.1042314079 -1.03654456 2.22782026 0.35636762 -0.72500363 2.09223066 4.18104687 0.93646928 7.55590068 1.47395837 3.07770751 5.35196716 0.09484808 -1.44967717 0.54147749 -9.51429373 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-51-3 6540 144213208 A A Tris(2-butoxyethyl) phosphate CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC Tox21_302891 -NCGC00090962-05 196719314 tox21-ror-cho-viability-p1 set2 4 -2.88300122 -2.93067468 0.46725157 -1.7959907 -2.49186859 -5.41749823 -1.0420407 -3.97428746 -1.71652795 -2.48755286 -2.47079911 -1.44128447 0.08861058 -3.0684717 -5.80699796 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00254997-01 196719708 tox21-ror-cho-viability-p1 set3 4 0.0968854161 -10.276656912 10.5 0.223343088 1.331 0.367198539 0.3032376465 -1.20022333 9.85500236 15.7213806 20.1734158 3.42752212 10.3135311 -0.38375508 -0.25429904 10.08828144 3.10481954 -1.19361333 -1.80528541 -2.31388076 1.58400828 -1.14062602 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10433-59-7 23700088 144211414 A A 2,4-DB-sodium [Na+].Clc1cc(Cl)ccc1OCCCC([O-])=O Tox21_301097 -NCGC00254714-01 196719710 tox21-ror-cho-viability-p1 set3 4 6.91777407 -2.25586743 8.64712962 7.99275426 -3.76454516 2.96871931 1.1675843 5.32470816 10.50748222 6.21590168 7.33324942 2.96642442 -1.8733291 1.61580869 0.53876083 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-97-3 7590 144211127 A A Ethyl phenylacetate O=C(OCC)Cc1ccccc1 Tox21_300810 -NCGC00254731-01 196719721 tox21-ror-cho-viability-p1 set3 4 0.28629479 4.12609728 3.69101899 9.50418807 -2.84759302 -1.02572876 1.82467369 3.31184426 -3.11289435 -1.82597424 4.09713779 4.0575317 1.18184154 0.24431819 -4.44302578 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 42874-03-3 39327 144211144 A A Oxyfluorfen Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F Tox21_300827 -NCGC00255037-01 196719722 tox21-ror-cho-viability-p1 set3 4 43.2771256911 -17.927762628 1.5 -16.427762628 1.34431 0.4976200888 0.1807586007 -0.40722786 -1.29405015 7.30313106 -3.75514255 8.16375536 -0.74069061 -2.24114333 10.81362725 0.86298493 -1.02381199 -1.33464562 0.7728701 -4.47908574 -4.8236851 -13.68980219 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-21-3 2728 144211456 A A Chlorpropham Clc1cc(NC(=O)OC(C)C)ccc1 Tox21_301139 -NCGC00254643-01 196719725 tox21-ror-cho-viability-p1 set3 4 0.0043277126 36.991321316 -39.93395356 -2.942632244 0.4 0.5252125316 0.1559495679 -29.9449613 -29.54713894 -8.01233779 -3.8857082 -26.95496472 -24.1739308 -7.49837537 -4.16139262 -5.20504031 -5.92305946 -6.51600004 -2.03552687 -7.75823177 -3.71454905 -2.77379396 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-37-1 7555 144211054 A A 2,4,6-Tris(allyloxy)-1,3,5-triazine C=CCOc1nc(nc(OCC=C)n1)OCC=C Tox21_300737 -NCGC00254251-01 196719728 tox21-ror-cho-viability-p1 set3 4 0.0019311525 19.628156004 -23.117177576 -3.489021572 0.4 0.4050436338 0.2847710288 -14.44555059 -17.59764798 -7.19024108 -6.19929568 -8.96012514 -9.73365193 -1.24085131 -8.48920726 -2.63366864 -9.72729162 -6.0404343 -1.61989811 -9.41050872 -4.88187287 -9.10676593 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 110235-47-7 86296 144210952 A A Mepanipyrim Cc2cc(nc(Nc1ccccc1)n2)C#CC Tox21_300635 -NCGC00254716-01 196720577 tox21-ror-cho-viability-p1 set3 4 0.0015370921 18.772653596 -12.772653596 6 4.9549173134 0.4335112652 0.2570282576 -8.97721133 5.93942253 -0.01089776 4.81751126 7.51161664 17.51745655 6.9682176 7.04994672 8.89711226 6.03444009 7.10798366 2.27386694 0.06179743 0.69861058 -2.15748145 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.00000369 0.000008252 0.000018449999999 0.000041259999999 0.00009226 10339-55-6 6433547 144211129 B Ethyl linalool CC(O)(CC\C=C(/C)CC)C=C Tox21_300812 -NCGC00254695-01 196720168 tox21-ror-cho-viability-p1 set3 4 1.80643468 -0.06927073 -5.74029571 -0.48551539 1.32537974 -7.93573958 -0.48838405 0.19961474 0.01697045 -1.46101229 1.57924956 -0.95582473 1.26166302 0.71668619 0.46306331 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1194-65-6 3031 144211108 F Dichlobenil N#Cc1c(Cl)cccc1Cl Tox21_300791 -NCGC00357025-01 196724230 tox21-ror-cho-viability-p1 set3 4 0.0054482673 10.895795428 -10.895795428 0 4.9549173134 0.4034034978 0.2687972921 -7.28306659 -14.49649619 -4.12226287 5.02089674 -6.04686457 3.74425361 4.71680402 -2.64333328 -10.75540742 1.86914273 -1.57151968 2.38992126 -0.58296073 -2.71928063 5.56975481 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16484-77-8 185588 251919712 A Mecoprop-P Clc1cc(C)c(O[C@H](C)C(=O)O)cc1 Tox21_303709 -NCGC00259894-01 196724232 tox21-ror-cho-viability-p1 set3 3 76.4894813809 47.8568900679 -5.1009061279 42.75598394 4.9549173134 0.5223856423 0.1582548467 4.19767706 -14.04667444 -0.70208422 -2.84806362 -4.17257423 1.03140491 0.44879504 2.94532611 -3.94797862 -5.87279524 -4.44738964 -2.06838353 -7.56948832 -34.04740839 37.84255146 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003667 0.000008201 0.00001834 0.000041 0.00009169 123-31-9 785 144209543 A A Hydroquinone Oc1ccc(O)cc1 Tox21_202345 -NCGC00260042-01 196724237 tox21-ror-cho-viability-p1 set3 4 0.0027695244 8.912513636 -7.912513636 1 2.7202212143 0.6546693535 0.062830563 -7.01042803 -4.33808781 2.21586192 -1.53605454 -1.27893385 -0.22720575 1.39531978 3.9294845 1.24596058 1.55072999 3.51090365 -0.47324005 1.54409863 -1.1914844 1.28685946 1.194E-9 2.671E-9 5.972E-9 1.335E-8 2.986E-8 6.677E-8 1.493E-7 3.338E-7 7.465E-7 0.000001669 0.000003733 0.000008346 0.00001866 0.000041729999999 0.00009331 8024-48-4 144209691 ND Casanthrol Tox21_202493 -NCGC00090760-08 196724242 tox21-ror-cho-viability-p1 set3 -2.2 48.2616000528 -37.887554036 0 -37.887554036 2.4063783767 0.800846718 0.007810545 -4.67124459 7.75038018 4.99789434 -3.79012117 7.17764356 -2.0073361 -5.44953463 -4.42903317 1.14343206 -4.74999877 2.19088275 1.47788784 -4.21856565 -15.18970889 -31.15629503 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00257878-01 196729697 tox21-ror-cho-viability-p1 set3 4 0.64368245 -1.15787545 1.05250501 1.91021403 -3.90564677 -4.22482647 0.35754993 -22.5048189 -7.8359489 -2.65010637 0 0 -7.29072003 -1.49654723 3.47797712 1.156E-9 2.585E-9 5.78E-9 1.292E-8 2.8899999999E-8 6.4619999999E-8 1.4449999999E-7 3.231E-7 7.225E-7 0.000001615 0.000003612 0.0000080769999999 0.000018059999999 0.00004039 0.00009031 529-19-1 10721 144207522 B A 2-Tolunitrile N#Cc1ccccc1C Tox21_200324 -NCGC00357090-01 196712431 tox21-ror-cho-viability-p1 set2 4 -5.20163741 0 -22.84603313 -8.50033818 -7.10747183 -55.56841103 0 -41.67076614 -33.24296486 -19.21799803 -42.48673827 -12.49428593 -7.88635826 -11.50069032 -18.68447398 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14024-18-1 91759530 251919867 Iron(III) acetylacetonate C\C(=[O+]\[Fe](\[O+]=C(\C)[CH-]C(C)=O)\[O+]=C(\C)[CH-]C(C)=O)[CH-]C(C)=O Tox21_303809 -NCGC00357193-01 196712434 tox21-ror-cho-viability-p1 set2 2.4 68.5896218971 34.045506012 1.954493988 36 3.5117481694 0.9177212402 0.0001201969 1.3325515 -0.87125501 2.26624219 0.91979012 0.03596493 1.9665023 1.22485608 0.20513151 3.89268201 6.50689054 4.43682776 1.57427565 4.69747493 6.53241916 27.36437326 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-30-5 12313 251919675 A 3-Chloro-1-propanol ClCCCO Tox21_303962 -NCGC00260180-01 196712014 tox21-ror-cho-viability-p1 set2 -2.4 49.0024986748 -26.149566788 -1 -27.149566788 2.4063783767 0.9633837038 0.0000015088 -2.92283773 -3.21099124 -1.43841282 -2.47738795 0.00074398 -1.43534028 -0.79972512 -0.1313647 -0.11147607 -0.20128957 -0.42102797 -0.05804301 -1.74878139 -12.17947748 -22.62463899 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.9719999999E-8 6.6449999999E-8 1.486E-7 3.3219999999E-7 7.429E-7 0.0000016609999999 0.000003714 0.0000083059999999 0.00001857 0.00004153 0.00009286 81995-09-7 16211417 144209830 A A 1-Dodecyl-3-methylimidazolium iodide [I-].C[n+]1ccn(CCCCCCCCCCCC)c1 Tox21_202632 -NCGC00260219-01 196712428 tox21-ror-cho-viability-p1 set2 4 -13.28774708 -5.29173407 -3.06219529 -4.2504197 -1.40081445 -3.45711489 0 -31.29184091 -10.0012221 -14.7797169 0 0 -0.15756587 -5.8695459 -23.98133965 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.397E-7 0.0000016539999999 0.0000036989999999 0.0000082699999999 0.000018489999999 0.00004135 0.00009247 17874-63-4 60196387 144209869 A A 1-Methyl-1-propylpiperidinium iodide [I-].CCC[N+]1(C)CCCCC1 Tox21_202671 -NCGC00260293-01 196712443 tox21-ror-cho-viability-p1 set2 -2.4 48.4589889209 -34.030120856 -4 -38.030120856 2.7202212144 0.7477323322 0.4821650266 -4.86574589 -6.71727516 -6.42829367 -5.44098571 -6.42794526 -4.56011142 -24.80584846 -12.56792953 -9.96892552 -29.70414677 -0.26840034 -3.57452985 0 -18.64880086 -32.94176738 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 526-95-4 10690 144209943 Bc F D-Gluconic acid O[C@H]([C@@H](O)C(=O)O)[C@H](O)[C@H](O)CO Tox21_202745 -NCGC00244579-01 196712849 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -58.9228904603 0.5150136329 -58.4078768274 4.9549173134 0.9758215534 1.419E-7 -0.91006861 -0.10047868 0.54631861 -0.49725621 -1.21789908 2.30392968 0.48649427 -3.94912692 1.09006652 -0.49004645 1.31930194 1.12599934 0.13177976 0.58263555 -47.54593399 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00090910-03 196712850 tox21-ror-cho-viability-p1 set2 4 -0.16111191 -0.43164561 -0.64629295 -2.02697465 0.37383827 -2.53151548 -1.55696063 0.48023968 0.03134126 -0.60061216 -0.40052153 -1.66352989 -0.86446186 -9.20130094 -5.34485942 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00091643-08 196713266 tox21-ror-cho-viability-p1 set2 -2.1 61.130564862 -86.908626725 -6.113158087 -93.021784812 2.1210667061 0.9807682225 3.79E-8 -6.14943913 -3.44413699 -4.12727837 -7.3399101 -2.78732107 -6.11222886 -4.96671322 -6.59713353 -4.23241258 -7.13259148 -9.96635844 -7.67580687 -17.37182074 -30.09797025 -70.4710491 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00018256-06 196713279 tox21-ror-cho-viability-p1 set2 4 13.3331902297 11.18334356 -2.18334356 9 0.9099999999 0.7765379731 0.0128672133 -0.61200855 -2.87440361 -1.87815154 -3.9027863 -1.84364596 -1.65473582 -1.07952803 -1.38942763 -2.8982867 -1.99727781 0.38529721 -0.60949074 5.22147594 1.5131805 7.59587453 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-10-2 5748 170465282 A Oxyphenonium bromide [Br-].OC(C(=O)OCC[N+](C)(CC)CC)(c1ccccc1)C2CCCCC2 Tox21_110851_1 -NCGC00015987-09 196713685 tox21-ror-cho-viability-p1 set2 4 -7.19721252 -3.13225646 -5.86480801 -2.74715378 -4.24765776 -3.40734489 -4.42944296 -2.15344675 -2.01500542 -5.53060681 -5.31085979 2.75243597 -0.6911325 -1.31275402 -0.31112883 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80880-90-6 5387 170466639 A Telenzepine CN1CCN(CC1)CC(=O)N3c2c(csc2C)C(=O)Nc4ccccc34 Tox21_110274_1 -NCGC00091396-05 196713690 tox21-ror-cho-viability-p1 set2 4 0.72342589 5.12123796 2.47992761 0.67628918 1.29654497 1.06230796 2.60255276 -0.58666175 0.43865063 0.0690144 3.78846613 0.14812299 -1.92599036 3.67726356 0.4251508 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 119-53-9 8400 170465507 F Benzoin OC(C(=O)c1ccccc1)c2ccccc2 Tox21_111126_1 -NCGC00254731-01 196714091 tox21-ror-cho-viability-p1 set2 4 1.30377201 3.30059147 -1.22183128 -0.681253 2.54355368 -1.71892294 0.45879579 -1.71884561 3.15157161 3.46919137 -1.61311276 -0.91501359 0.40184611 0.95868748 -1.61895565 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 42874-03-3 39327 144211144 A A Oxyfluorfen Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F Tox21_300827 -NCGC00255163-01 196710371 tox21-ror-cho-viability-p1 set2 4 -2.60179456 -1.28308499 0.26052245 -4.6732798 0.00741182 -2.84846755 -0.85504266 -7.79879995 1.1956415 -2.95984412 -1.1835345 -3.78447175 -0.11305416 -2.00403591 -1.87207074 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 71-23-8 1031 144212757 A Ac 1-Propanol CCCO Tox21_302440 -NCGC00259556-01 196709472 tox21-ror-cho-viability-p1 set2 4 78.8409383265 -13.361356712 1 -12.361356712 4.9549173134 0.6936281859 0.0418251574 1.83120081 2.32239548 1.03310086 -0.80244816 3.61548231 2.15107047 2.10356648 1.13774662 0.51672789 -1.03747762 2.5885414 -1.54674571 -1.73663339 3.20892069 -9.46779726 1.204E-9 2.692E-9 6.02E-9 1.346E-8 3.01E-8 6.7309999999E-8 1.5049999999E-7 3.366E-7 7.526E-7 0.000001683 0.000003763 0.000008414 0.000018809999999 0.000042069999999 0.000094069999999 76578-14-8 53518 144209205 A A Quizalofop-ethyl O=C(OCC)C(C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2 Tox21_202007 -NCGC00255178-01 196709879 tox21-ror-cho-viability-p1 set2 4 -5.51798023 -1.72630113 -5.6679764 -3.25335485 -2.38477778 -3.27277893 -0.66185404 -0.79998482 -0.69652933 -1.31076093 0.24026987 0.44758298 0.80423003 -2.18559889 0.95269458 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-80-0 7313 144212186 A Ac 2-(Diisopropylamino)ethanol CC(C)N(CCO)C(C)C Tox21_301869 -NCGC00256311-01 196709882 tox21-ror-cho-viability-p1 set2 4 0.99102382 5.94092957 1.71943839 -0.17329124 -0.99483249 4.64439616 -1.69058886 -2.40994721 0.24400913 0.34597726 -1.73758461 -0.63442984 -0.6830668 4.67832027 7.38725162 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94317-64-3 93502 144212332 A A N-Butylphosphorothioic triamide CCCCNP(N)(N)=S Tox21_302015 -NCGC00256003-01 196709883 tox21-ror-cho-viability-p1 set2 -1.1 13.6854287769 -91.9436092203 2.13853426 -89.8050749603 1.34431 0.9653345255 0.0000010981 0.33059764 4.86583071 5.30461016 5.80778243 -1.17060977 -1.20158773 0.34900334 0.30799706 -0.8591166 -0.53583022 -5.93065918 -40.35648629 -44.36431507 -82.80687497 -77.04389304 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 731-27-1 12898 144211541 A B Tolylfluanid CN(C)S(=O)(=O)N(SC(Cl)(Cl)F)c1ccc(C)cc1 Tox21_301224 -NCGC00255859-01 196709896 tox21-ror-cho-viability-p1 set2 4 1.97490075 4.28934069 1.55629136 -0.81218698 0.44538033 1.06061425 0.88391035 -0.44054231 1.66162844 1.03440374 -0.84884107 1.16251932 -0.03501293 0.86638679 6.38108146 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 512-42-5 2735086 144211633 Ac Sodium methyl sulfate [Na+].[O-]S(=O)(=O)OC Tox21_301316 -NCGC00091011-05 196709898 tox21-ror-cho-viability-p1 set2 2.1 54.4826732819 124.3189079095 -2.399990354 121.9189175555 1.92824246 0.9887819976 1.6E-9 -3.3883051 -5.82547963 1.72501601 -3.33163582 -3.99476986 -4.61673339 -2.66390548 -4.91746071 -3.09900135 -3.74181676 1.38293118 2.64936912 16.13989746 40.05408189 92.36281633 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00256009-01 196710295 tox21-ror-cho-viability-p1 set2 4 -0.59403616 -10.59837291 -9.18586872 -7.55413441 -8.61853421 -11.87049312 -2.59271237 -3.26520444 -2.78541638 -1.41150019 -1.76357946 -2.38674744 -4.69641425 -5.9762695 -0.85953161 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 623-84-7 12198 144212006 A A Propylene glycol diacetate CC(COC(=O)C)OC(=O)C Tox21_301689 -NCGC00256049-01 196710297 tox21-ror-cho-viability-p1 set2 4 0.086349218 6.9363761519 -7.4363761519 -0.5 3.9294729863 0.7673716331 0.0149359852 -5.87066532 -6.16634726 -9.53031346 -8.4708083 -7.26261956 -6.29065361 0.61442872 -2.89326109 -0.50297942 -4.37442802 1.07241884 0.65959107 -1.57128466 -0.52487716 2.72284659 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5437-98-9 21576 144211798 A A N-(4-Methoxyphenyl)-3-oxobutanamide COc1ccc(NC(=O)CC(C)=O)cc1 Tox21_301481 -NCGC00259093-01 196708672 tox21-ror-cho-viability-p1 set2 4 -1.06405027 -5.5646683 -5.79109706 2.79111719 -3.34051303 -1.90497938 -6.11665743 -1.47129358 -2.00609006 -2.54046817 -3.32827662 -0.44409912 -2.07936678 0.51716631 2.09337875 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.61E-8 1.4779999999E-7 3.305E-7 7.3899999999E-7 0.0000016529999999 0.0000036949999999 0.000008263 0.00001848 0.00004131 0.000092379999999 119-36-8 4133 144208741 A A Methyl salicylate Oc1ccccc1C(=O)OC Tox21_201543 -NCGC00256810-01 196708251 tox21-ror-cho-viability-p1 set1 4 -1.24724199 -2.87423103 -3.18351715 2.13071878 -0.05559874 -1.43469643 -3.17012713 1.15534551 0.06558305 1.65183515 0.83077456 -3.26420913 -1.31332204 2.32527517 1.47836164 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3092-17-9 18340 144213040 A A Midodrine hydrochloride Cl.COc1ccc(cc1C(O)CNC(=O)CN)OC Tox21_302723 -NCGC00256827-01 196708253 tox21-ror-cho-viability-p1 set1 4 76.9588215421 14.712663084 1.287336916 16 4.9549173134 0.7168261293 0.0315646602 0.45018359 0.43728585 -0.16442281 0.40969758 -1.01055257 0.36625333 5.31005721 2.84092318 4.17909761 1.91708136 1.17803768 2.65803039 1.87619404 -0.43716519 12.84909269 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 540-07-8 10886 144213015 A Fc Pentyl hexanoate O=C(CCCCC)OCCCCC Tox21_302698 -NCGC00259540-01 196708665 tox21-ror-cho-viability-p1 set2 4 67.5446740887 -15.777602708 1.5 -14.277602708 4.9549173134 0.7997457036 0.0081460949 0.79807858 -1.95883175 0.63712865 1.9596676 1.26434305 -0.20372219 2.4008859 -0.90478027 3.56781654 0.3714711 2.27168289 3.42051444 2.93466717 2.00209916 -11.48133559 1.165E-9 2.606E-9 5.827E-9 1.303E-8 2.9129999999E-8 6.515E-8 1.457E-7 3.2569999999E-7 7.284E-7 0.000001629 0.0000036419999999 0.000008143 0.00001821 0.000040719999999 0.000091049999999 538-93-2 10870 144209189 FNS Isobutylbenzene CC(C)Cc1ccccc1 Tox21_201991 -NCGC00090704-03 196720953 tox21-ror-cho-viability-p1 set3 4 54.4826732819 22.966224 -7.966224 15 3.9899729863 0.5235651659 0.1576237649 -11.40202886 -10.8700958 -6.93553305 -1.88513977 -3.42549443 -8.17216542 -2.31087451 -13.99840073 -14.42275208 -5.19069818 1.24248117 -16.63852 -11.47380621 -1.50472276 12.28577438 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00159417-06 196720560 tox21-ror-cho-viability-p1 set3 -2.1 44.2913331849 -93.1489469169 4.119958153 -89.0289887639 2.4063783767 0.957542285 0.0000034117 1.88128408 5.55437313 4.41222855 -1.02874376 1.78193102 11.06372424 0.88410918 -6.45750534 1.79248245 8.57478961 8.42702263 9.7068436 -3.04886659 -39.50253869 -76.5371127 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00254664-01 196720562 tox21-ror-cho-viability-p1 set3 4 54.4272718766 13.1016356599 -0.1016356599 13 2.7867712143 0.6217261372 0.0829440605 -1.62422593 -0.20392308 -0.85594524 5.56576444 0.14234834 -0.50164227 -3.00136305 0.30951182 -0.99176795 -1.13367921 -0.15542209 4.46458109 -0.92076542 4.20552192 10.53164004 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 50594-66-6 44073 144211077 A A Acifluorfen Clc2cc(ccc2Oc1cc(C(=O)O)c(cc1)[N+]([O-])=O)C(F)(F)F Tox21_300760 -NCGC00259441-01 196720951 tox21-ror-cho-viability-p1 set3 4 19.3901734335 11.175640792 -8.675640792 2.5 4.9549173134 0.5692587932 0.1204994684 -14.72970066 -12.16714965 -8.79983938 -3.77738425 -2.29516941 -5.78502358 -7.80323864 -7.96757042 -8.99929122 -5.91168629 -11.14235579 -12.1761488 -2.94437325 2.01108391 1.93667677 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004132 0.0000924 67-47-0 237332 144209090 A A 5-(Hydroxymethyl)-2-furfural O=Cc1ccc(CO)o1 Tox21_201892 -NCGC00258866-01 196720973 tox21-ror-cho-viability-p1 set3 4 1.9429517713 15.548682624 -10.548682624 5 0.2 0.4090764837 0.2647611819 -10.45723552 -4.37161484 -6.93507904 -2.2093087 -8.11025021 -9.01363254 -3.73596294 -2.78885455 -8.31703483 3.1967182 -1.89070617 -5.44445004 0.61859508 -1.01711728 0.42238998 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.962E-8 6.622E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 140-49-8 8805 144208512 FNS 4'-(Chloroacetyl)acetanilide O=C(C)Nc1ccc(cc1)C(=O)CCl Tox21_201314 -NCGC00259266-01 196720975 tox21-ror-cho-viability-p1 set3 4 -6.42432472 -3.90191732 -3.86566057 -0.4623794 -2.10147938 -5.41971563 -4.60825244 -3.71993767 -5.06113204 0.20308015 -4.50121309 -2.12287447 -1.93741596 -0.5750615 -1.63976767 1.204E-9 2.693E-9 6.0219999999E-9 1.347E-8 3.011E-8 6.733E-8 1.5049999999E-7 3.366E-7 7.527E-7 0.000001683 0.0000037639999999 0.000008416 0.00001882 0.00004208 0.00009409 68-11-1 1133 144208915 A A Thioglycolic acid O=C(O)CS Tox21_201717 -NCGC00259989-01 196721797 tox21-ror-cho-viability-p1 set3 4 40.0265993297 8.124508764 -2.624508764 5.5 3.0654483358 0.4194418906 0.255685484 -4.66536796 -1.46332716 -1.69514796 3.78326916 0.0242769 -1.03995467 -3.38370722 -5.21292467 -5.2923893 -2.39123459 -5.52042397 -4.51067302 -5.37190293 2.8079108 4.61714846 1.2169999999E-9 2.722E-9 6.087E-9 1.361E-8 3.0429999999E-8 6.8049999999E-8 1.522E-7 3.403E-7 7.608E-7 0.0000017009999999 0.0000038039999999 0.000008507 0.000019019999999 0.00004253 0.000095109999999 112-27-6 8172 144209638 A Ac Triethylene glycol OCCOCCOCCO Tox21_202440 -NCGC00091532-04 196721785 tox21-ror-cho-viability-p1 set3 -2.2 34.7961750105 -42.4782546598 -7.211886896 -49.6901415558 1.4641 0.8899788822 0.0005174082 -10.3323114 -12.9871542 -8.74156503 -2.59372959 -8.21465869 -15.03275989 -8.44878825 -8.6187609 -9.8325396 -9.71657678 -6.99367217 -14.33447928 -17.72382617 -29.26617277 -43.58784347 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00259120-01 196721788 tox21-ror-cho-viability-p1 set3 4 -4.12046265 -9.03134753 -4.06615992 2.71497843 -8.82355549 -9.41971879 -8.94660374 -9.63252492 -7.73117768 0.84884522 -11.30138392 -0.46831903 -3.8296514 -3.56615259 -19.68124163 1.2069999999E-9 2.699E-9 6.034E-9 1.349E-8 3.017E-8 6.747E-8 1.509E-7 3.373E-7 7.5429999999E-7 0.000001687 0.0000037709999999 0.0000084329999999 0.00001886 0.00004217 0.00009429 625-45-6 12251 144208769 A A Methoxyacetic acid O=C(O)COC Tox21_201571 -NCGC00259710-01 196721791 tox21-ror-cho-viability-p1 set3 4 -5.54264031 -4.2063589 3.74537692 1.1295451 1.11257714 -7.69574586 -3.4787529 -3.23431176 -7.3519997 -6.04531737 1.43421291 -4.30606103 -11.50087463 3.74845931 3.07579274 1.177E-9 2.631E-9 5.884E-9 1.316E-8 2.942E-8 6.579E-8 1.471E-7 3.289E-7 7.355E-7 0.000001645 0.0000036779999999 0.000008223 0.00001839 0.000041119999999 0.000091939999999 124-04-9 196 144209359 A A Hexanedioic acid OC(=O)CCCCC(=O)O Tox21_202161 -NCGC00259395-01 196722183 tox21-ror-cho-viability-p1 set3 4 77.350303218 -11.9385845599 -1.5 -13.4385845599 0.7999999999 0.5680576713 0.1242169402 -4.35101382 -1.70289071 0.57275653 0.34709531 -0.41909941 -4.68481738 -2.4010899 -1.91033694 -3.21468265 -2.02211638 -3.33198306 -0.92382258 -4.01321897 -4.94550931 -9.5321538 1.185E-9 2.651E-9 5.927E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3129999999E-7 7.409E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009261 66215-27-8 47866 144209044 A A Cyromazine Nc2nc(N)nc(NC1CC1)n2 Tox21_201846 -NCGC00091759-02 196722185 tox21-ror-cho-viability-p1 set3 4 17.2289340586 5.889039532 -5.389039532 0.5 4.4494702849 0.4202287479 0.255660452 -9.07419961 -5.91649568 -5.50441465 2.01468102 -5.91323934 -6.49956307 -4.23274082 -5.4535223 -5.27649604 -3.74952004 -5.43016813 -6.72489171 -2.01294954 -0.8752157 1.65934625 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00179580-04 196725495 tox21-ror-cho-viability-p1 set3 4 0.0084126743 -7.330904984 -1 -8.330904984 3.9899729863 0.4025526921 0.2702259419 1.02857127 -9.88320213 5.49906502 -3.58505958 -7.58574615 -5.15274143 -8.50506439 -10.9209483 -11.23929835 -11.94242082 -7.56335959 -9.71819985 -9.11194171 -3.44739846 -6.38751248 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-85-5 171548 170464763 A Biotin O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1 Tox21_113050_1 -NCGC00258450-01 196730550 tox21-ror-cho-viability-p1 set3 4 12.2343723386 11.3871365959 -1.3871365959 10 3.1319983358 0.7504192672 0.0254040279 -2.40227023 -2.88883273 1.84797852 -3.84459441 -1.7958085 1.32644955 0.94227361 0.99036733 -4.07261383 -1.55549191 -2.5031799 -1.37157754 9.93106337 8.83084691 0.3399217 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3069999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.000008269 0.000018489999999 0.00004134 0.00009245 302-95-4 23668196 144208094 A A Sodium deoxycholate [Na+].[O-]C(=O)CC[C@@H](C)[C@H]2CC[C@H]1[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]12C Tox21_200896 -NCGC00016347-07 196712871 tox21-ror-cho-viability-p1 set2 4 7.49715829 6.1206825 1.35974089 6.46793426 5.32268333 4.24895694 6.87258976 5.60430105 4.66558095 -0.32739165 -0.78792205 4.01013991 0.18846325 5.80280099 4.08345003 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 91-33-8 2343 170465246 A Benzthiazide NS(=O)(=O)c3cc1c(N=C(NS1(=O)=O)CSCc2ccccc2)cc3Cl Tox21_110387_1 -NCGC00091830-04 196712056 tox21-ror-cho-viability-p1 set2 -2.4 68.5896218971 -34.351763696 2.5 -31.851763696 3.6772481694 0.8726698678 0.0010523332 4.25708683 0.5034735 0.27907739 -1.92847668 -1.06298134 4.47133937 4.51649511 6.43541635 6.52170379 1.38629957 2.16429328 2.90737663 0.16639612 -2.01961769 -23.20980308 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00024452-04 196712459 tox21-ror-cho-viability-p1 set2 4 26.6032120037 -17.363681948 1 -16.363681948 4.9549173134 0.834750652 0.0035278941 1.24229038 -0.24671915 2.48387644 5.25506982 1.00790899 2.32252295 -0.42185812 -0.81570733 0.89042413 0.54540281 -0.32904863 -3.19391132 1.4225348 -2.91735521 -15.30306829 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72599-27-0 51634 170464950 Z Miglustat OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCC Tox21_110830_1 -NCGC00263558-01 196712869 tox21-ror-cho-viability-p1 set2 4 5.26690095 2.12652515 4.04436709 1.67470727 0.4981663 1.77969032 3.70471774 1.89470081 0.522776 1.1833289 2.37939958 2.0807084 1.79659876 6.32258782 2.90654097 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 521-17-5 10634 170465858 F Androstenediol O[C@H]4CC[C@@]3(C)C(=CC[C@@H]1[C@@H]3CC[C@]2(C)[C@@H](O)CC[C@@H]12)C4 Tox21_112495_1 -NCGC00142624-05 196712876 tox21-ror-cho-viability-p1 set2 4 -2.45250278 -2.20620736 0.97922425 -1.12966538 -3.10135479 -1.72720112 -1.71520164 -2.97979242 0.46554135 0.16799293 -4.16963181 -8.66113357 -0.09920507 -3.16430379 -3.24162418 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4618-18-2 11333 170464861 Z Lactulose O[C@H]2[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H](CO)O[C@]2(O)CO Tox21_111318_1 -NCGC00090705-15 196713284 tox21-ror-cho-viability-p1 set2 4 -1.25104889 -2.85703823 -4.64537589 2.17172117 0.71388726 -7.75611333 -3.68406231 1.68459188 -6.39506518 -0.14657039 0.17897604 -4.09476652 -3.52675619 -2.27441139 0.90711925 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7481-89-2 24066 170465128 Z 2',3'-Dideoxycytidine NC1=NC(=O)N(C=C1)[C@H]2CC[C@@H](CO)O2 Tox21_113491_1 -NCGC00090726-12 196713287 tox21-ror-cho-viability-p1 set2 4 4.67802231 3.54145031 -0.16460166 2.66950472 3.15668789 5.03880973 2.79511785 2.00078262 0.08024288 -0.38144195 3.25685527 2.55007047 3.90039335 2.37046916 1.59504139 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 36791-04-5 37542 170464657 Z Ribavirin NC(=O)c1ncn(n1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O Tox21_110259_1 -NCGC00257552-01 196710409 tox21-ror-cho-viability-p1 set2 4 -3.68619095 -1.7621613 -2.34406762 -2.38820146 -2.47835968 -4.77972158 1.49261679 -3.89274533 -5.43105025 2.67767447 -4.76633317 0.7471257 0.16932707 1.75811679 -2.63462599 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 929-73-7 458426 144212019 A A Dodecylamine hydrochloride Cl.CCCCCCCCCCCCN Tox21_301702 -NCGC00256092-01 196709990 tox21-ror-cho-viability-p1 set2 4 3.4376242854 5.070499092 -5.570499092 -0.5 2.4063783767 0.3698514859 0.3198101227 -4.80042559 -3.89873313 -6.75603583 -7.27945071 -4.12133839 0.74186323 -8.85281048 -10.47541591 -3.69711829 -6.91830447 -2.00588168 0.35399276 -0.5100812 -2.05986848 -3.99239207 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55066-48-3 108312 144211577 A A 3-Methyl-5-phenylpentan-1-ol CC(CCc1ccccc1)CCO Tox21_301260 -NCGC00255213-01 196709994 tox21-ror-cho-viability-p1 set2 4 0.0013685429 10.0667489479 -9.0667489479 1 4.9549173134 0.5712494494 0.1217026635 -6.72229079 2.57430494 1.46173985 0.91637835 1.04492728 -0.08984372 -2.11600791 -0.71269958 -0.50969236 0 2.16196717 0.65390683 1.71722085 0.0788369 4.78064453 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-49-3 72060 144212525 A A Ethylphenylacetylurea CCC(C(=O)NC(N)=O)c1ccccc1 Tox21_302208 -NCGC00255710-01 196710003 tox21-ror-cho-viability-p1 set2 4 -2.06627627 -0.20854878 0.03000627 1.47866487 1.90147234 0.93881005 1.24826163 2.28394715 0.73185939 -1.25752504 2.52585439 -0.28942744 0.86542117 -1.27155384 1.19268571 1.16E-9 2.5929999999E-9 5.798E-9 1.297E-8 2.8989999999E-8 6.4829999999E-8 1.45E-7 3.241E-7 7.2479999999E-7 0.000001621 0.000003624 0.000008103 0.00001812 0.00004052 0.000090599999999 56375-79-2 91822 144212417 A A N,N-Dibutyl-N-methylbutan-1-aminium chloride [Cl-].CCCC[N+](C)(CCCC)CCCC Tox21_302100 -NCGC00255953-01 196710410 tox21-ror-cho-viability-p1 set2 4 0.62646217 6.22184508 0.03369324 -0.69688289 0.47507927 0.12855178 -0.17318537 -1.65933754 0.79544455 -1.70391982 -0.12293877 0.74584209 -0.50409637 -0.74025463 0.61167433 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-04-9 7119 144212460 A A 2-Methoxynaphthalene COc1ccc2ccccc2c1 Tox21_302143 -NCGC00255694-01 196710417 tox21-ror-cho-viability-p1 set2 -2.2 27.3060203028 -58.1426653308 -1.723551702 -59.8662170328 2.1876167061 0.9700767625 4.785E-7 3.54314738 0.09380943 -0.07943295 -0.26337295 -2.15389557 -2.57806662 -0.44947498 -0.86289646 -6.29789865 -8.27997978 -5.48942379 -6.30131439 -17.65549068 -40.67257116 -58.69236964 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 43210-67-9 3334 144212145 A A Fenbendazole O=C(OC)Nc1nc2cc(ccc2n1)Sc3ccccc3 Tox21_301828 -NCGC00255662-01 196710737 tox21-ror-cho-viability-p1 set2 4 1.76374859 4.61196285 -0.03120741 3.16295236 2.78828207 1.00962955 0.5617459 0.2913506 -0.21104946 -0.20855032 0.75609526 0.97741342 0.55299058 0.828247 7.68106663 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1928-47-8 15998 144212229 A A 2,4,5-T-2-ethylhexyl Clc1cc(OCC(=O)OCC(CC)CCCC)c(Cl)cc1Cl Tox21_301912 -NCGC00255145-01 196710735 tox21-ror-cho-viability-p1 set2 4 0.0068589622 9.107979716 -11.107979716 -2 0.7999999999 0.4415392284 0.251190217 -6.86580595 -10.92331643 -8.48647679 -2.09064708 -4.53016776 -5.16540727 0.37953189 -4.85517527 1.21971361 -2.0725004 1.16480395 -7.86203711 -1.32542085 -2.33284923 -4.33691459 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-34-0 9279 144212648 A C Propantheline bromide [Br-].CC(C)[N+](C)(CCOC(=O)C1c3ccccc3Oc2ccccc12)C(C)C Tox21_302331 -NCGC00255849-01 196710744 tox21-ror-cho-viability-p1 set2 4 1.36702568 1.76626279 0.62156688 0.59578742 0.85458793 1.68543508 2.11764721 -1.10468734 -0.52148853 0.83846237 0.8066051 0.62137977 1.8342568 -0.35457231 2.54999967 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-82-7 61053 144211868 A A N-(4-Ethoxyphenyl)-3-oxobutanamide CCOc1ccc(cc1)NC(=O)CC(C)=O Tox21_301551 -NCGC00255862-01 196710748 tox21-ror-cho-viability-p1 set2 4 6.49168621 0.5821034 1.39041815 2.60575423 1.06558865 2.32975657 1.93735333 -0.25414461 1.47302271 3.35483697 -0.4173452 -1.10857219 0.26597942 3.15174897 -0.95270188 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 1670-14-0 80289 144212482 Z A Benzenecarboximidamide, monohydrochloride Cl.N=C(N)c1ccccc1 Tox21_302165 -NCGC00256017-01 196710749 tox21-ror-cho-viability-p1 set2 4 -4.08832902 -7.066089 -12.01699261 -0.03900968 -5.0339122 -4.20803917 -4.87169552 -5.73538106 -3.40673971 -10.67145689 -6.18036009 -7.19229616 -6.92744209 -5.87023508 -4.30537331 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 54-86-4 23687810 144211538 A Sodium nicotinate [Na+].[O-]C(=O)c1cccnc1 Tox21_301221 -NCGC00255651-01 196710752 tox21-ror-cho-viability-p1 set2 4 4.63972032 -0.34916211 -2.20831843 -0.26971387 -0.37327119 -0.1128793 -0.57181306 -1.29434726 0.30707873 -0.29104592 2.93598172 -2.47425653 0.19412765 -1.75349684 1.43146734 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 113-52-0 8228 144211734 A A Imipramine hydrochloride Cl.CN(C)CCCN2c3ccccc3CCc1ccccc12 Tox21_301417 -NCGC00255236-01 196711168 tox21-ror-cho-viability-p1 set2 4 -0.42278636 2.70953888 1.07956259 -1.04613812 1.47068048 1.534535 0.4224564 -1.05461721 -0.1549729 1.43660897 1.91376391 2.09626541 0.80796093 2.25629872 5.39980173 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 165252-70-0 197701 144212759 A A Dinotefuran [O-][N+](=O)/N=C(/NC)NCC1CCOC1 Tox21_302442 -NCGC00255167-01 196711171 tox21-ror-cho-viability-p1 set2 4 8.6349217992 -11.859184624 -2 -13.859184624 2.4063783767 0.6655690949 0.0555770061 -6.50134081 -4.09663174 -2.90149933 -3.30579272 0.63398705 -5.51174489 -7.29919338 -3.75410036 -1.23347183 2.60621093 -5.19293398 -6.97035339 -11.86653069 -14.04932052 -13.1128057 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 485-72-3 5280378 144212165 A A Formononetin COc1ccc(cc1)C3=COc2cc(O)ccc2C3=O Tox21_301848 -NCGC00357227-01 196712030 tox21-ror-cho-viability-p1 set2 4 -0.69172779 2.82777691 0.9378155 3.78879253 8.20455897 7.75934432 9.25061481 7.05903412 8.46584051 4.7377069 8.56005638 7.29617231 6.82950012 4.64902741 3.34341982 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122931-48-0 91779 251919711 F Rimsulfuron O=S(=O)(NC(=O)Nc1nc(OC)cc(OC)n1)c2ncccc2S(=O)(=O)CC Tox21_304014 -NCGC00259513-01 196711612 tox21-ror-cho-viability-p1 set2 -2.4 60.8819825107 -38.952583216 -4 -42.952583216 3.5117481694 0.8902731059 0.1633718326 -2.77075417 -12.90620723 -9.29274842 -7.02115622 -8.36316546 -4.96713638 0 0 0 -23.71962039 -10.15808159 -6.36884255 -4.22909976 -11.67413466 -35.5701388 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.315E-8 2.94E-8 6.573E-8 1.4699999999E-7 3.2869999999E-7 7.3489999999E-7 0.000001643 0.0000036749999999 0.000008217 0.00001837 0.00004108 0.00009187 169590-42-5 2662 144209162 A A Celecoxib NS(=O)(=O)c1ccc(cc1)n3nc(cc3c2ccc(C)cc2)C(F)(F)F Tox21_201964 -NCGC00091044-02 196711613 tox21-ror-cho-viability-p1 set2 2.4 46.2461828414 31.5088162561 2.4911837439 34 0.7999999999 0.7216567665 0.0291432975 -0.18709058 0.67801883 -1.25734688 1.59561189 8.99683136 0.94490196 8.56603093 8.65835089 7.33862716 0.89247522 7.36362861 8.11618673 7.85755297 15.69786203 27.81283861 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00260033-01 196712027 tox21-ror-cho-viability-p1 set2 4 -3.88961656 -3.7278666 -5.24793698 -0.68190007 -3.9094536 -1.75662762 -4.8945891 -1.44662018 3.45312296 0.48334196 0.63366944 -2.90554066 0.81397989 2.75790625 -13.01070702 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041219999999 0.00009218 1397-89-3 5280965 144209682 FNS Amphotericin B O=C(O)[C@@H]3[C@@H](O)C[C@@]2(O)C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)C=CC=CC=CC=CC=CC=CC=C[C@H](O[C@@H]1O[C@H](C)[C@@H](O)[C@H](N)[C@@H]1O)C[C@@H]3O2 Tox21_202484 -NCGC00142615-08 196698109 tox21-ror-cho-viability-p1 set1 4 -0.32036373 1.28080401 -4.44904564 -10.38725395 0.28801243 -0.25509686 -0.27913215 -0.17815452 -3.57369454 -3.90693486 -1.80775702 0.09646419 0.9625565 -4.00089034 -5.50166397 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 51-43-4 5816 170464973 Z Epinephrine Oc1ccc(cc1O)[C@@H](O)CNC Tox21_111562_1 -NCGC00260128-01 196723860 tox21-ror-cho-viability-p1 set3 4 0.0266308197 10.4797614559 -9.4797614559 1 4.9549173134 0.7208224911 0.2837949124 -42.3106003 -9.6467791 -6.47445174 -12.06646788 -1.50047895 -1.14438491 1.47093584 1.73590535 -1.987061 1.40477018 -2.12595219 -2.16236101 5.21530261 2.57662455 6.01782556 1.272E-9 2.844E-9 6.359E-9 1.422E-8 3.18E-8 7.11E-8 1.59E-7 3.555E-7 7.949E-7 0.0000017769999999 0.000003975 0.000008887 0.00001987 0.000044439999999 0.00009936 109-53-5 7992 144209777 Fns Vinyl isobutyl ether CC(C)COC=C Tox21_202579 -NCGC00016557-06 196697702 tox21-ror-cho-viability-p1 set1 -2.4 10.5909294584 -33.574496668 -2 -35.574496668 0.8999999999 0.9580218358 0.0000032168 -2.47377351 -0.21024372 -4.98477671 1.16758981 -2.57801687 -3.47631916 -1.78783357 -2.69328263 -3.48232009 -7.08328497 -4.953168 -14.54624437 -15.86459609 -24.26142418 -28.39541389 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 985-13-7 5702159 170466346 A Ethaverine hydrochloride Cl.CCOc1ccc(cc1OCC)Cc3nccc2cc(OCC)c(cc23)OCC Tox21_110492_1 -NCGC00262937-01 196697706 tox21-ror-cho-viability-p1 set1 4 0.49844762 -3.56438655 -4.91557536 -1.51270863 -1.72787535 -2.30598532 -1.8208198 0.46234995 0.43588558 -0.64206439 -0.32494698 -3.42343898 -5.3767894 -4.10128103 -1.14282555 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 535-65-9 10811 170466103 A A Glybuthiazol O=S(=O)(Nc1nnc(s1)C(C)(C)C)c2ccc(N)cc2 Tox21_113930 -NCGC00253588-01 196698117 tox21-ror-cho-viability-p1 set1 -1.1 0.9439175816 -75.5453245476 5.2607589489 -70.2845655987 0.5999999999 0.9772457051 9.99E-8 1.31375471 0.73626351 2.01141288 1.84598415 2.99577757 0.40141187 -6.19078927 -17.09074905 -20.93731997 -36.42508786 -43.41657243 -44.61022894 -47.52640859 -58.79208937 -69.39663294 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 292618-32-7 9577124 170465615 I F Gimatecan CC(C)(C)O\N=C\c1c3CN4C(=O)C=5COC(=O)[C@](O)(CC)C=5C=C4c3nc2ccccc12 Tox21_113726 -NCGC00159472-05 196723044 tox21-ror-cho-viability-p1 set3 4 0.0074978039 -7.6880470039 4 -3.6880470039 4.9549173134 0.4941634578 0.2013879121 1.78632823 0.43241224 9.40568541 0.88278152 -3.70262566 -2.32857192 -3.0097035 1.42032087 -0.91604646 -6.85547148 -8.49003917 -6.12762233 -4.73034633 -0.35698273 7.46540756 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 133-10-8 2724368 170465206 A Sodium 4-aminosalicylate [Na+].O=C([O-])c1ccc(N)cc1O Tox21_111696_1 -NCGC00253705-01 196722628 tox21-ror-cho-viability-p1 set3 4 10.46760734 1.76636753 3.91973456 -0.05685097 17.65013938 0.17784852 2.86314878 -1.13455834 6.92701176 12.93998752 14.25541961 8.03969825 11.51364825 8.62458371 21.74665498 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13338-63-1 25887 170466679 A A 3,4,5-Trimethoxyphenylacetonitrile COc1c(cc(cc1OC)CC#N)OC Tox21_113825 -NCGC00247728-01 196723034 tox21-ror-cho-viability-p1 set3 4 0.3402695088 14.9826318599 -6.4826318599 8.5 4.9549173134 0.7198294107 0.029812237 -5.23241563 -11.05969912 -13.73552655 0 0 -1.18275043 -12.47187255 0 9.07754913 10.35047473 12.40517608 4.86561932 6.74571323 11.43261881 3.91735442 1.1699999999E-9 2.6159999999E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.539E-8 1.462E-7 3.269E-7 7.311E-7 0.000001635 0.0000036549999999 0.000008173 0.00001828 0.000040869999999 0.00009138 520-53-6 4980 144206447 I I Psilocin CN(C)CCc2cnc1cccc(O)c12 Tox21_112894 -NCGC00165971-02 196723041 tox21-ror-cho-viability-p1 set3 4 3.0963848 3.6812078 1.44359346 4.08829975 8.25192563 1.88166189 1.61477792 3.68758551 0.22184438 -2.69314732 -0.88048563 -5.00624413 2.20741362 6.04199436 8.57253328 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 306-94-5 9386 170466377 F Perflunafene FC2(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C2(F)F Tox21_112274_1 -NCGC00166300-02 196723449 tox21-ror-cho-viability-p1 set3 4 8.81732492 -2.82549912 2.94830605 -3.83351157 4.2644117 6.22875916 0.0872422 5.68675427 -3.4802406 0.96119553 -5.57304851 -2.27011236 -2.21152837 0.34303193 10.36311704 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 41468-25-1 38882 170466028 D Pyridoxal phosphate hydrate O.Oc1c(C=O)c(cnc1C)COP(=O)(O)O Tox21_112399_1 -NCGC00092328-02 196723464 tox21-ror-cho-viability-p1 set3 4 0.2984929481 11.143451956 -5.643451956 5.5 4.9549173134 0.359763274 0.3100386665 1.27988445 0.25205286 -1.38376868 -5.73551458 -5.03831328 -1.97623597 -5.27982253 -28.45287663 7.78884502 3.55935735 7.72003595 3.83766391 3.51250528 1.049376 10.04795376 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98323-83-2 57364 170466196 A Carmoxirole O=C(O)c3ccc4ncc(CCCCN1CC=C(CC1)c2ccccc2)c4c3 Tox21_111193_1 -NCGC00357273-01 196723866 tox21-ror-cho-viability-p1 set3 4 -3.44540957 2.95702102 3.48604174 -9.93986443 4.16924115 3.53065329 6.54436787 3.77346428 1.75890079 5.48899368 -0.76013821 -7.25970537 -1.89880635 -1.45773094 1.31666309 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-86-0 60982 251919823 A 2-Ethoxy-5-(1-propenyl)phenol CCOc1ccc(cc1O)C=CC Tox21_303945 -NCGC00357149-01 196723869 tox21-ror-cho-viability-p1 set3 4 -1.55579852 3.39440808 7.55844978 -4.12201029 7.23909689 -2.03138205 -0.78341204 0.26172687 -2.00923322 -0.48056353 0.97679154 4.41438344 -4.82760736 5.80324019 0.99620954 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1672-46-4 15478 251919877 A Digoxigenin O[C@]54CC[C@H](C1=CC(=O)OC1)[C@@]5(C)[C@H](O)C[C@H]3[C@H]4CC[C@@H]2C[C@@H](O)CC[C@@]23C Tox21_303893 -NCGC00257895-01 196729793 tox21-ror-cho-viability-p1 set3 4 4.8212273836 -9.4227811079 -2 -11.4227811079 4.9549173134 0.5159745077 0.1645399659 -0.15000347 -1.64560395 -0.19419432 -1.50127121 0.60024552 -6.76887147 -6.15066611 -0.17163816 -4.74366016 0 0 -19.10231759 -13.73847939 -2.94985846 -10.03657324 1.173E-9 2.622E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.3299999999E-7 0.0000016389999999 0.000003665 0.000008195 0.00001832 0.000040969999999 0.00009162 611-32-5 11910 144207539 A A 8-Methylquinoline Cc1cccc2cccnc12 Tox21_200341 -NCGC00260065-01 196724743 tox21-ror-cho-viability-p1 set3 4 -3.49921613 -6.13414307 3.12344254 3.93549093 -4.48009758 3.14520113 7.58117853 6.43493524 -1.37209204 3.63720462 -4.06368825 -2.44504138 -6.76446462 -3.69150055 6.76982978 5.932E-10 1.3259999999E-9 2.966E-9 6.6319999999E-9 1.483E-8 3.316E-8 7.4149999999E-8 1.658E-7 3.708E-7 8.2909999999E-7 0.000001854 0.0000041449999999 0.000009269 0.00002073 0.00004635 90045-36-6 144209714 ND Ginkgo biloba extract Tox21_202516 -NCGC00163818-04 196724744 tox21-ror-cho-viability-p1 set3 4 1.3007781159 20.328905332 -7.828905332 12.5 0.2 0.7140828489 0.0324786986 -4.85742111 -3.40784814 -4.15027723 -1.97952643 2.1289667 -2.15205779 0.57083701 4.52178877 2.68638409 1.67516116 3.10788531 1.70607712 3.08007485 3.67979011 10.86459735 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00258418-01 196730203 tox21-ror-cho-viability-p1 set3 4 -6.73023406 -6.55657199 -2.74031371 -7.02147563 -9.62689987 -7.59798942 -4.40412042 -7.0146545 -8.07937186 -6.66302588 -5.9888956 -9.0399057 -2.13787136 -4.85229243 -5.39817495 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.952E-8 6.6E-8 1.476E-7 3.3E-7 7.379E-7 0.0000016499999999 0.00000369 0.0000082499999999 0.000018449999999 0.00004125 0.000092239999999 5970-45-6 2724192 144208062 A B Zinc(II) acetate dihydrate O.[Zn+2].O.[O-]C(C)=O.[O-]C(C)=O Tox21_200864 -NCGC00258766-01 196730191 tox21-ror-cho-viability-p1 set3 4 -1.83057895 -0.75556843 5.63717512 -1.06783402 -0.49015757 -0.10719251 2.26706657 1.28901132 0.11768405 -0.21227732 -0.00026996 2.4546286 1.88901801 -0.18587038 4.66694714 1.198E-9 2.68E-9 5.992E-9 1.34E-8 2.996E-8 6.7E-8 1.4979999999E-7 3.35E-7 7.491E-7 0.000001675 0.000003745 0.000008375 0.00001873 0.00004187 0.00009363 78-83-1 6560 144208412 A Ac 2-Methyl-1-propanol CC(C)CO Tox21_201214 -NCGC00257680-01 196730194 tox21-ror-cho-viability-p1 set3 4 13.3382355013 -16.55740084 1 -15.55740084 0.8999999999 0.8774328855 0.0008825107 -1.56011927 1.07867329 2.29395493 0.34620436 1.2969143 1.74369541 0.54709006 0.80080016 -0.4494403 1.43612391 -7.33427439 -2.46551535 -8.93885615 -11.32917885 -12.9645007 1.155E-9 2.583E-9 5.7769999999E-9 1.292E-8 2.8879999999E-8 6.458E-8 1.444E-7 3.229E-7 7.2209999999E-7 0.000001615 0.0000036099999999 0.000008073 0.000018049999999 0.00004036 0.00009026 97-02-9 7321 144207324 A A 2,4-Dinitroaniline O=[N+]([O-])c1cc(ccc1N)[N+]([O-])=O Tox21_200126 -NCGC00257910-01 196730204 tox21-ror-cho-viability-p1 set3 4 -0.78173267 -0.91739954 -0.39852475 0.26999892 1.4925419 -1.61967471 -2.99651392 0.72234336 2.60575317 -0.68769669 0.72891223 1.14156587 3.28256046 -0.34443043 0.86307457 1.182E-9 2.6429999999E-9 5.9109999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.304E-7 7.3889999999E-7 0.0000016519999999 0.0000036939999999 0.000008261 0.000018469999999 0.000041299999999 0.000092359999999 75-26-3 6358 144207554 FNS 2-Bromopropane BrC(C)C Tox21_200356 -NCGC00257573-01 196730205 tox21-ror-cho-viability-p1 set3 4 -1.7229785 -0.44363508 -3.33707272 -1.33511213 1.30653272 -3.8853892 -0.65845635 -9.46958098 -0.60485108 0 -4.15519963 -1.46628434 -2.26685705 -0.14561187 2.11489741 1.172E-9 2.622E-9 5.862E-9 1.311E-8 2.931E-8 6.554E-8 1.466E-7 3.277E-7 7.328E-7 0.0000016379999999 0.000003664 0.000008192 0.00001832 0.00004096 0.00009159 110-57-6 642197 144207217 A A (2E)-1,4-Dichlorobut-2-ene ClC\C=C\CCl Tox21_200019 -NCGC00258628-01 196730208 tox21-ror-cho-viability-p1 set3 4 -0.57695363 0.05064627 -0.08262729 -0.48969957 -1.28054259 0.09348669 2.08914265 0.22603431 1.6129875 0.0622465 1.92284504 3.82547935 1.61052157 2.0680708 1.18420257 1.235E-9 2.762E-9 6.175E-9 1.381E-8 3.087E-8 6.904E-8 1.544E-7 3.452E-7 7.719E-7 0.0000017259999999 0.000003859 0.00000863 0.000019299999999 0.00004315 0.00009648 96-49-1 7303 144208273 A A 1,3-Dioxolan-2-one O=C1OCCO1 Tox21_201075 -NCGC00163818-04 196730210 tox21-ror-cho-viability-p1 set3 4 5.1784909523 -12.9882161801 -4.8351049439 -17.823321124 0.7999999999 0.8025185486 0.0076221141 -3.68739579 -7.7408254 -5.08397662 -4.06032122 -9.63047674 -2.77925412 -3.89176491 -4.13921429 -8.90000232 -8.29633752 -10.54481544 -14.92475001 -14.19047637 -13.41453793 -16.51943427 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00091663-03 196714138 tox21-ror-cho-viability-p1 set2 4 19.3311819617 7.391400252 -7.843019544 -0.451619292 4.9549173134 0.41467554 0.259394812 -3.94252617 -6.74202166 -2.56698308 -8.48229 -4.93283304 -10.06869082 -4.20921056 -11.49091822 -5.4703928 -12.78584962 -11.13461981 -10.1395358 -4.87376901 -0.37634941 -0.43647622 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00254347-01 196714118 tox21-ror-cho-viability-p1 set2 4 3.49274232 1.4882888 3.49021773 1.91483518 0.16658925 2.20274068 -1.68605559 -0.32336939 -7.23441166 1.79021826 2.76445672 -0.0825544 -7.47098515 1.2841276 1.48179491 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 134-20-3 8635 144210665 A A Methyl 2-aminobenzoate Nc1ccccc1C(=O)OC Tox21_300347 -NCGC00254019-01 196714122 tox21-ror-cho-viability-p1 set2 4 -0.66265752 4.2500961 3.47053479 -0.50754042 -0.87977605 -1.65024877 -2.63818912 -0.15640975 -2.12234217 -2.4561583 -1.94171505 0.26885667 -3.89907198 -1.0114883 0.81836781 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-95-2 996 144210362 A A Phenol Oc1ccccc1 Tox21_300042 -NCGC00257526-01 196714124 tox21-ror-cho-viability-p1 set2 4 2.40808406 3.20570776 0.11586434 0.32962744 1.68961815 -0.47063679 0.31189447 3.98758045 0.89835075 2.14084361 3.38730047 5.74905975 6.86275142 4.72924923 6.77379869 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 660-68-4 10197650 144211404 A Diethylamine hydrochloride Cl.CCNCC Tox21_301087 -NCGC00260465-01 196712077 tox21-ror-cho-viability-p1 set2 4 28.0295915614 -21.592315984 0.5 -21.092315984 4.9549173134 0.3965459903 0.2913397778 2.98008428 5.54698836 2.96607119 2.0628647 5.23301855 4.91508597 0.68406718 -4.87709404 2.77835215 -20.91026332 3.27911908 0.68360148 -1.63100512 -19.98545616 -0.31079861 1.206E-9 2.6979999999E-9 6.032E-9 1.349E-8 3.016E-8 6.744E-8 1.5079999999E-7 3.372E-7 7.54E-7 0.0000016859999999 0.00000377 0.0000084299999999 0.00001885 0.000042149999999 0.00009425 486-25-9 10241 144210117 A A 9-Fluorenone O=C3c1ccccc1c2ccccc23 Tox21_202919 -NCGC00357195-01 196711669 tox21-ror-cho-viability-p1 set2 4 0.0061130565 10.250911584 -4.250911584 6 0.9099999999 0.8813988404 0.0007719695 -2.29242632 -0.68805646 -0.44716693 4.2646938 4.39061785 4.28647773 5.16959536 4.85865533 7.04980156 4.09309496 6.19340622 5.62229806 7.99391641 6.58698444 6.3656171 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2402-78-0 16989 251919888 A 2,6-Dichloropyridine Clc1cccc(Cl)n1 Tox21_303965 -NCGC00356954-01 196712063 tox21-ror-cho-viability-p1 set2 4 68.5896218971 18 7 25 0.8999999999 0.634306753 0.0743547565 6.32693343 4.65428963 4.50942526 7.51702644 7.01916714 4.24464786 7.32076743 9.9768562 10.14157664 8.19830296 8.07925315 13.32792024 5.74847112 13.49850159 19.58031396 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3068-00-6 18302 251919792 A 1,2,4-Butanetriol OCCC(O)CO Tox21_303969 -NCGC00260353-01 196712075 tox21-ror-cho-viability-p1 set2 4 1.24465636 0.8982159 5.40263706 1.09305773 0.59244792 1.17110298 -0.48811096 5.21808053 2.94867331 4.30285684 0.37552251 0.08585178 -1.83976503 4.70322252 7.22067761 1.1919999999E-9 2.6659999999E-9 5.96E-9 1.333E-8 2.98E-8 6.664E-8 1.49E-7 3.332E-7 7.45E-7 0.0000016659999999 0.000003725 0.00000833 0.00001863 0.000041649999999 0.00009313 14933-08-5 84703 144210005 A A N-Dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate [O-]S(=O)(=O)CCC[N+](C)(C)CCCCCCCCCCCC Tox21_202807 -NCGC00356998-01 196712078 tox21-ror-cho-viability-p1 set2 4 -4.50173134 -17.57350803 -11.30230803 -12.56607961 -15.36041269 -6.26480918 0 0 -3.93950027 -22.15872315 -17.63562452 -6.10702951 0 -20.6510154 11.24433412 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 187022-11-3 6426848 251919733 I Acetochlor ESA O=S(=O)(O)CC(=O)N(COCC)c1c(C)cccc1CC Tox21_303784 -NCGC00260624-01 196712082 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -14.2401370399 -1 -15.2401370399 4.9549173134 0.6293896359 0.0777427769 -0.87370225 -0.08387862 -0.10981729 -3.52796101 -1.05978964 2.51619181 -3.6596006 2.75189152 0.39599935 -2.37930678 -5.75063541 -3.09927619 0 -2.32869461 -12.7001142 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49520 144210277 M M NTP Mix100 ER1 10-EQC Tox21_203079 -NCGC00164077-02 196712084 tox21-ror-cho-viability-p1 set2 4 1.9331181962 10.5 1.5 12 0.6 0.8251111256 0.0045603312 2.52900864 0.05731638 1.69702465 4.08096865 0.18082367 4.10424548 4.54605733 2.09059183 5.71681009 7.9900883 6.45420825 8.03711438 10.43864025 12.88504497 8.90142366 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00015424-11 196712488 tox21-ror-cho-viability-p1 set2 -3 29.8492948118 -49.2424597472 -0.135481222 -49.3779409692 4.9549173134 0.9772351258 1.004E-7 -3.15096523 0.63199329 1.43273123 0.71140499 1.72503944 1.24944312 -3.67146316 -0.91150809 0.03163539 -0.06174365 0.71500031 0.79879136 -2.39107336 -4.66933329 -44.62977278 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1841-19-6 3396 170466307 A Fluspirilene Fc1ccc(cc1)C(CCCN2CCC4(CC2)C(=O)NCN4c3ccccc3)c5ccc(F)cc5 Tox21_110142_1 -NCGC00015844-10 196712489 tox21-ror-cho-viability-p1 set2 4 4.2163249602 -5.1217585519 -0.5 -5.6217585519 3.0654483358 0.4217056789 0.2542829196 -1.27339854 -4.50667431 0.29443844 2.90989051 0.34915888 -5.50416359 1.08482551 2.52179391 -1.9776024 -1.53361577 -0.0721312 -2.19047109 -7.60146546 -5.36981767 -4.19970275 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50865-01-5 71484 170465923 F Protoporphyrin disodium [Na+].[Na+].[O-]C(=O)CCc2c(C)c1cc5nc(cc4nc(cc3nc(cc2n1)C(CCC([O-])=O)=C3C)c(C)c4C=C)C(C)=C5C=C Tox21_112390_1 -NCGC00018158-09 196712819 tox21-ror-cho-viability-p1 set2 -2.2 29.8492948118 -44.6816960335 -1 -45.6816960335 2.4729283767 0.9622619611 0.0000017764 -0.02060347 -1.20659735 -0.48959923 -4.25822593 0.18020326 -0.63599973 0.24556041 0.36019865 0.15136604 0.38914983 -3.90622387 -1.20587419 -6.8070825 -12.02435218 -34.60734548 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77883-43-3 62978 170465395 A Doxazosin mesylate CS(=O)(=O)O.COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)C4COc5ccccc5O4 Tox21_110796_1 -NCGC00090776-02 196712004 tox21-ror-cho-viability-p1 set2 2.4 67.3360061293 27.879773772 1.120226228 29 4.0449729863 0.8827131054 0.0007113715 0.39233004 -0.66527945 3.12243581 5.24225263 -0.4165556 -0.48881249 5.45801583 -0.12709536 2.225366 0.6101156 -0.73314481 -0.42466516 0.40217601 4.51494742 22.73752304 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00260096-01 196712007 tox21-ror-cho-viability-p1 set2 4 -0.19716443 0.89909968 -6.63059173 -0.43414381 1.75170437 -1.07652827 -6.418853 -0.69536457 -1.68772622 -8.17806594 2.35004546 -0.69401731 1.63606168 -2.39915611 -10.9826075 5.584E-10 1.249E-9 2.792E-9 6.243E-9 1.3959999999E-8 3.122E-8 6.98E-8 1.5609999999E-7 3.4899999999E-7 7.804E-7 0.000001745 0.000003902 0.0000087249999999 0.00001951 0.00004363 500-62-9 5281575 144209745 I I Yangonin COC=2C=C(/C=C/c1ccc(OC)cc1)OC(=O)C=2 Tox21_202547 -NCGC00260584-01 196712401 tox21-ror-cho-viability-p1 set2 4 0.026603212 -10.3694845519 -1 -11.3694845519 4.9549173134 0.4631133105 0.2119504543 -1.09903221 0.1639636 0.30732477 -6.16085002 1.94850716 -9.43401865 -7.35472123 -24.47457046 -10.70981178 -8.66839117 -16.59842902 0 -12.35045414 -10.33229356 -10.92123032 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49480 144210237 M M NTP Mix43 CT1 3-EQP Tox21_203039 -NCGC00091759-02 196712831 tox21-ror-cho-viability-p1 set2 4 0.0685896219 -10.19125566 5 -5.19125566 0.2 0.4117964232 0.265119816 1.8019528 3.21738782 0.16281703 0.40099846 0.02553256 -1.21224545 -0.05901092 -0.01238708 0.33287284 -2.16541852 -0.87526406 -8.49271305 0.35610183 -1.30302567 -4.17192114 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00160438-02 196713684 tox21-ror-cho-viability-p1 set2 4 2.8163202 2.25289389 -0.85126133 2.45460611 -0.06974439 1.22039138 -0.14489319 0.47052012 2.20813532 1.87006188 1.50639472 -0.3281894 1.40722802 1.83673686 -0.37479546 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79069-94-6 54339 170466176 A Fanetizole C(CNc1nc(cs1)c2ccccc2)c3ccccc3 Tox21_113086_1 -NCGC00090952-07 196713265 tox21-ror-cho-viability-p1 set2 4 0.2206545974 -8.4125967799 7.5 -0.9125967799 4.5044702849 0.8468961379 0.0025066229 9.8881781 8.39104741 7.47398642 8.26301341 2.4659025 8.04177646 6.48320175 0.4833389 -1.06049571 -1.02499351 -1.59383065 -1.57099573 0.05369722 1.70964281 -1.35407925 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00274271-01 196713673 tox21-ror-cho-viability-p1 set2 4 33.4914596268 12.1223461839 -2.1223461839 10 4.0949729863 0.5699856794 0.1212630757 -6.76862182 -6.20414219 -2.40338012 -2.22969642 -3.70322212 0.2676406 -0.94320778 -1.3401638 -0.28714193 -2.75417088 -1.80985899 0.13946104 0.37149758 -0.99097568 7.31796861 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79-64-1 6607 170465914 A A Dimethisteron C[C@H]3C[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@@]1(O)C#CC)[C@@]4(C)CCC(=O)C=C34 Tox21_113973 -NCGC00015519-11 196713679 tox21-ror-cho-viability-p1 set2 4 -0.93350097 -2.35884815 0.14361131 -3.35077186 -4.0170311 -3.30928064 -4.40411752 -2.96083698 1.64785426 2.22862164 1.68778682 1.12269361 -2.7372295 -1.02456023 -4.94537261 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-61-6 681 170464942 Z Dopamine hydrochloride Oc1ccc(CCN)cc1O Tox21_110167_1 -NCGC00178417-03 196713693 tox21-ror-cho-viability-p1 set2 4 -0.04056905 1.05754561 3.88460306 -1.85762325 -0.44764959 -0.12121743 -1.46580982 -1.26310065 1.32167888 3.93365001 -1.27330857 0.42840328 1.31897879 2.90650425 3.4240172 1.1799999999E-10 2.638E-10 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 53797-35-6 20056828 170465814 Z Ribostamycin sulfate O=S(=O)(O)O.N[C@@H]3[C@@H](O)[C@H](O)[C@@H](CN)O[C@@H]3O[C@@H]2[C@@H](N)C[C@@H](N)C(O)[C@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Tox21_110657_1 -NCGC00254097-01 196714095 tox21-ror-cho-viability-p1 set2 4 0.97684985 -1.17331282 2.72936189 -1.82833536 1.2764947 1.68772642 -1.33842069 -1.37103582 2.16949644 0.51525202 2.2130839 3.15712362 4.55481496 4.0707793 3.0208654 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-27-6 8172 144210626 A Ac Triethylene glycol OCCOCCOCCO Tox21_300306 -NCGC00254125-01 196714103 tox21-ror-cho-viability-p1 set2 4 -0.31613329 1.04254875 1.75381891 -0.54865591 0.60150494 -0.65145458 -1.53976971 3.16238295 -1.60446425 -0.56540851 -0.59087456 3.51715455 3.22195105 2.11197416 2.72029089 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-18-6 6923 144210331 A A 2-tert-Butylphenol CC(C)(C)c1ccccc1O Tox21_300011 -NCGC00254574-01 196699360 tox21-ror-cho-viability-p1 set1 4 -1.09178626 7.11178493 -0.2939621 1.24678603 1.0462209 1.12437557 8.64552012 7.28869365 4.19733354 8.8420239 6.451982 5.97570355 5.24846411 0.11059192 4.43206312 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 834-12-8 13263 144210983 A A Ametryn CSc1nc(NCC)nc(NC(C)C)n1 Tox21_300666 -NCGC00253943-01 196699349 tox21-ror-cho-viability-p1 set1 4 30.4826269101 9.4459446679 -0.4459446679 9 1.9673362061 0.4138322056 0.2632335064 -2.80452048 3.25798009 0.36078996 -4.95495389 1.84396262 0.08604452 -1.81243093 0.29522905 0.0805733 -1.24255269 -2.14847769 0.16847233 2.26931882 0.43365227 6.32298559 4.9549999999E-10 1.1079999999E-9 2.477E-9 5.5399999999E-9 1.2389999999E-8 2.7699999999E-8 6.194E-8 1.385E-7 3.097E-7 6.9249999999E-7 0.000001548 0.000003462 0.000007742 0.00001731 0.00003871 83-67-0 5429 144210336 A A Theobromine Cn1cnc2c1C(=O)NC(=O)N2C Tox21_300016 -NCGC00254441-01 196699364 tox21-ror-cho-viability-p1 set1 4 -1.49698677 -0.44761262 2.93499849 1.78793807 -9.51398199 0.99654476 1.63125299 -2.67006541 -1.60740996 0.21796527 -3.26440799 1.03878075 1.62819912 0.4904775 1.0923388 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 72178-02-0 51556 144210836 A A Fomesafen Clc2cc(ccc2Oc1cc(C(=O)NS(C)(=O)=O)c(cc1)[N+]([O-])=O)C(F)(F)F Tox21_300518 -NCGC00254501-01 196699367 tox21-ror-cho-viability-p1 set1 4 3.18835683 -7.17994132 0.86472404 -1.52817273 -0.14164117 -4.46407131 3.03732906 -1.37962638 -1.0162463 -0.02408727 -4.55160444 -0.92628248 -1.8564692 0.78250919 3.36524919 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1156-19-0 5503 144210734 A A Tolazamide Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2 Tox21_300416 -NCGC00091088-05 196698554 tox21-ror-cho-viability-p1 set1 4 4.4078718 -2.56085852 1.65795243 0.04968437 -1.4255472 1.33804768 -0.2151564 -3.17149638 -0.89773136 -6.5585487 -5.82861142 0.35330032 2.05885693 0.25409702 3.9567049 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00025060-15 196698145 tox21-ror-cho-viability-p1 set1 4 1.09185067 -8.77872236 -7.44058917 1.31173961 -4.3632077 -0.1423822 -0.50190902 0.72902732 -0.48754081 0.72829286 -1.49401048 -1.68973908 -0.38998104 4.31872743 -5.70902582 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-05-2 126941 170464688 A Methotrexate O=C(O)[C@H](CCC(=O)O)NC(=O)c1ccc(cc1)N(C)Cc2nc3c(nc2)nc(N)nc3N Tox21_110944_1 -NCGC00167769-04 196698546 tox21-ror-cho-viability-p1 set1 4 -6.09602584 -3.42892458 -4.72238926 -3.02625877 -1.83599637 -5.29760582 -0.12956627 -0.35105155 -5.98156037 -3.30857975 -6.87139654 -3.30740117 -3.45469312 -1.79129006 -17.87620589 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 28094-15-7 160157 170466239 Z Oxidopamine hydrochloride Cl.Oc1cc(CCN)c(O)cc1O Tox21_111324_1 -NCGC00164539-02 196698548 tox21-ror-cho-viability-p1 set1 4 1.79725197 6.37016703 -1.76585094 -4.01149864 -0.43439882 -0.44932866 -0.88779368 5.04040796 0.30430719 1.74519849 -3.45331305 -1.32023487 1.82537191 -4.51758598 -0.08010145 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 49864-70-2 39526 170466407 A Azaclorzine Clc1cc2N(c3ccccc3Sc2cc1)C(=O)CCN4CC5CCCN5CC4 Tox21_112168_1 -NCGC00159422-04 196698555 tox21-ror-cho-viability-p1 set1 4 -0.34353393 3.3055934 4.70139947 1.26979818 -0.08997439 0.30895246 -0.99211158 2.32580226 2.16444192 -0.35324845 -0.36587686 0.61024971 0.68039493 3.7181219 3.64048698 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1953-02-2 5483 170465217 D Tiopronin OC(=O)CNC(=O)C(C)S Tox21_111654_1 -NCGC00181026-02 196698558 tox21-ror-cho-viability-p1 set1 -3 29.8492948118 -60.663913317 -1.197414931 -61.861328248 4.9549173134 0.9903987822 7E-10 -1.21260493 0.92035648 -0.9279414 -3.05965069 -1.72151492 -0.47863502 1.25637577 -1.94234247 -2.90707002 0.77967988 -1.95534256 -2.16016887 -0.258273 -8.14019802 -55.71777354 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25875-51-8 60196301 170465629 A Robenidine Clc2ccc(/C=N/NC(=N)N\N=C/c1ccc(Cl)cc1)cc2 Tox21_112676_1 -NCGC00253651-01 196698561 tox21-ror-cho-viability-p1 set1 4 0.72026833 -3.10976261 -1.5124028 -1.37190228 0.06044375 -0.04088198 0.34478509 -0.20811003 -2.15303068 -4.33716779 -0.80811172 0.23068082 -1.74787411 -4.30558434 3.1953463 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6320-03-2 80599 170466754 F Fc o-Chlorothiophenol Sc1ccccc1Cl Tox21_113777 -NCGC00254073-01 196698960 tox21-ror-cho-viability-p1 set1 4 5.4482673282 -5.80082278 0.5 -5.30082278 4.9549173134 0.5341521916 0.1507171558 0.28094097 0.91729993 1.75911329 0.38800203 0.16983257 0.07571791 -0.18216382 -5.11054765 0.51717887 2.83094864 1.1528944 -6.39733234 -5.34777412 -0.86710036 -7.75068565 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 637-07-0 2796 144210597 A A Clofibrate Clc1ccc(OC(C)(C)C(=O)OCC)cc1 Tox21_300277 -NCGC00253917-01 196698968 tox21-ror-cho-viability-p1 set1 4 -4.94010217 -0.41399352 0.1914167 -0.61080045 -2.74444749 0.37401907 0.75045327 -1.61483597 0.22660572 -2.09835149 -1.19312993 -0.42584816 -0.58293238 -0.17259708 2.50606069 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 62-23-7 6108 144210451 A A 4-Nitrobenzoic acid O=[N+]([O-])c1ccc(cc1)C(=O)O Tox21_300131 -NCGC00256401-01 196726393 tox21-ror-cho-viability-p1 set3 4 -1.13017102 2.16360801 -1.40835911 0.14254253 2.50051548 1.82069695 2.58811514 1.08093173 -1.75447287 0.13431191 0 0.38848586 0.904451 0.12799023 -2.62031462 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 72-56-0 6295 144213200 A A p,p'-Ethyl-DDD ClC(Cl)C(c1ccc(CC)cc1)c2ccc(cc2)CC Tox21_302883 -NCGC00166415-03 196725978 tox21-ror-cho-viability-p1 set3 4 1.9836397 4.15605155 -2.52103414 -2.11857089 -1.65951909 -1.16112533 -0.38435817 -1.75900352 1.44097123 -1.02266144 -3.52801557 0.46920305 3.20750849 4.39927151 0.70660342 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 135729-62-3 6918303 170465300 A Palonosetron hydrochloride Cl.O=C1N(C[C@H]3CCCc2cccc1c23)[C@@H]5CN4CCC5CC4 Tox21_112421_1 -NCGC00166113-04 196725981 tox21-ror-cho-viability-p1 set3 -2.1 10.5909294584 -67.9258709494 -3.3537144569 -71.2795854063 3.5117481694 0.8952162603 0.0007210108 -0.24823101 -6.72131239 1.48028738 7.07456549 4.32650784 -0.56300376 -5.5900903 -6.0803561 -10.67513326 -9.86270957 -14.57733638 -3.60169086 -27.08806824 -66.46257908 26.73931787 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 886-38-4 65057 170465593 A Diphenylcyclopropenone O=C2C(=C2c1ccccc1)c3ccccc3 Tox21_112322_1 -NCGC00256384-01 196726387 tox21-ror-cho-viability-p1 set3 4 -1.24020607 1.14471136 -4.48639365 -22.57183743 0 -0.93447611 -4.93515589 -0.32700008 0 -1.88974996 -3.38159837 -1.66256524 -0.35506982 0.86219008 1.58217709 4.129E-10 9.233E-10 2.065E-9 4.6169999999E-9 1.0319999999E-8 2.308E-8 5.161E-8 1.154E-7 2.5809999999E-7 5.7709999999E-7 0.00000129 0.0000028849999999 0.0000064519999999 0.000014429999999 0.00003226 107-30-2 7864 144213256 FNS Chloromethyl methyl ether COCCl Tox21_302939 -NCGC00254472-01 196720741 tox21-ror-cho-viability-p1 set3 4 3.86854923 6.05804878 5.35327438 1.84080872 7.04831754 5.59491736 -2.83866818 5.38728876 -5.9800114 4.74152657 1.75426716 -2.52984031 0.85087349 10.30907395 3.75014145 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3319-31-1 18725 144210931 AC Fns Tris(2-ethylhexyl) trimellitate CCC(CCCC)COC(=O)c1cc(C(=O)OCC(CC)CCCC)c(cc1)C(=O)OCC(CC)CCCC Tox21_300614 -NCGC00182063-03 196697829 tox21-ror-cho-viability-p1 set1 4 0.5308038637 7.486790176 -8.486790176 -1 1.6266150999 0.6752690956 0.0505850849 -6.82024533 -4.48990496 -10.40565848 -7.19064508 -9.2418399 -8.87990322 -10.38336572 -8.1019819 -7.62540469 -0.20560175 -4.29690478 0.13780468 -5.18105809 0.76915055 0.59977348 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64241-34-5 2515 170466021 C Cadralazine O=C(OCC)NNc1ccc(nn1)N(CC(C)O)CC Tox21_113146_1 -NCGC00259975-01 196721135 tox21-ror-cho-viability-p1 set3 4 -6.2145826 -6.33979549 -2.11480935 0.0101756 -2.51269138 -3.69216101 -5.47156614 -5.4308017 -3.91781054 0.18939525 -3.61086685 -4.78562096 -4.62314073 -2.26889745 -0.96600943 1.149E-9 2.568E-9 5.743E-9 1.284E-8 2.8709999999E-8 6.421E-8 1.436E-7 3.21E-7 7.1789999999E-7 0.0000016049999999 0.000003589 0.0000080259999999 0.00001795 0.00004013 0.00008973 112-05-0 8158 144209624 A A Nonanoic acid O=C(O)CCCCCCCC Tox21_202426 -NCGC00254965-01 196720736 tox21-ror-cho-viability-p1 set3 -2.4 68.1713220381 -31.2949696999 -0.5 -31.7949696999 4.0449729863 0.8575163994 0.0017858178 -3.61104224 -0.01319504 1.94434384 0.65751158 -4.30661242 -1.68912821 2.51263836 -4.4733776 0.8077379 0.09779212 0.19738318 3.43306842 -4.06750081 -3.93403538 -24.41247475 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 5598-15-2 21804 144211380 B D Chlorpyrifos oxon Clc1cc(Cl)c(Cl)nc1OP(=O)(OCC)OCC Tox21_301063 -NCGC00254947-01 196720743 tox21-ror-cho-viability-p1 set3 4 6.48528353 -0.53943583 -0.41408985 14.14336614 -0.63175432 -5.73608857 4.84323152 5.73414385 -4.53030011 6.23460231 3.7834149 -5.55975686 -1.10462385 -0.3472633 -0.02829271 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131-11-3 8554 144211362 A A Dimethyl phthalate COC(=O)c1ccccc1C(=O)OC Tox21_301045 -NCGC00259078-01 196721142 tox21-ror-cho-viability-p1 set3 -2.1 55.4259289229 -76.8878475108 -5.885783526 -82.7736310368 1.6266150999 0.9697576572 5.083E-7 -12.54291686 -4.0650804 -5.15135891 -4.14841601 -1.46823082 -7.49310517 -6.26590425 -8.44155869 -5.96356762 -3.31328455 -3.82502147 -10.74018437 -17.5833689 -34.35665734 -62.70729624 1.197E-9 2.676E-9 5.9839999999E-9 1.338E-8 2.992E-8 6.69E-8 1.496E-7 3.345E-7 7.48E-7 0.000001673 0.00000374 0.000008363 0.000018699999999 0.000041819999999 0.0000935 84852-15-3 338733 144208726 A A 4-Nonylphenol, branched Oc1ccc(CCCCCCC(C)C)cc1 Tox21_201528 -NCGC00258935-01 196721144 tox21-ror-cho-viability-p1 set3 4 -5.01124503 -3.4588135 0.54517368 9.56336284 -0.92347515 -1.80262601 -5.54116114 -5.16360237 -5.91296189 0.47270344 -0.58661716 1.64035887 -0.63033379 3.9544962 -3.98045043 1.195E-9 2.671E-9 5.973E-9 1.336E-8 2.986E-8 6.678E-8 1.493E-7 3.3389999999E-7 7.466E-7 0.000001669 0.000003733 0.000008347 0.00001867 0.00004174 0.000093329999999 15687-27-1 3672 144208582 A A Ibuprofen CC(C(=O)O)c1ccc(CC(C)C)cc1 Tox21_201384 -NCGC00259396-01 196721545 tox21-ror-cho-viability-p1 set3 4 -5.69100246 -3.96210686 -1.14979342 -0.16837541 -4.91338267 -5.48468121 -2.9869182 0.51647839 -0.81062449 2.4151481 -2.65748 -3.94901819 -1.3497328 -9.56817076 -3.04178725 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004133 0.000092409999999 120-36-5 8427 144209045 A A Dichlorprop Clc1cc(Cl)ccc1OC(C)C(=O)O Tox21_201847 -NCGC00259459-01 196721929 tox21-ror-cho-viability-p1 set3 -1.1 4.3189119337 -81.2292448428 -11.012728996 -92.2419738388 0.7 0.9594084904 0.000002657 -14.3437884 -7.24846474 -9.0675604 -4.76074717 -20.08859699 -21.5199881 -21.49972484 -22.29233103 -26.56549726 -30.66737328 -59.88818924 -56.88865269 -67.80320297 -82.75907109 -81.45946637 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.586E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009204 137-30-4 8722 144209108 FNS Ziram [Zn+2].S=C([S-])N(C)C.CN(C)C([S-])=S Tox21_201910 -NCGC00259800-01 196721950 tox21-ror-cho-viability-p1 set3 4 27.5283213152 -9.8853802759 3 -6.8853802759 4.9549173134 0.5886838841 0.1059982444 1.05371421 -2.23567868 3.8500667 -1.38682177 5.77745587 6.5330638 3.56516358 0.87322206 3.13528892 5.4885271 0.4318581 6.43445658 1.57409026 -6.23923375 -6.57115023 1.188E-9 2.657E-9 5.942E-9 1.3289999999E-8 2.971E-8 6.6429999999E-8 1.4849999999E-7 3.3219999999E-7 7.427E-7 0.0000016609999999 0.000003714 0.000008304 0.00001857 0.00004152 0.00009284 111-64-8 8124 144209449 D Caprylyl chloride ClC(=O)CCCCCCC Tox21_202251 -NCGC00015793-10 196722339 tox21-ror-cho-viability-p1 set3 4 11.94688531 0.3044861 5.93192764 3.69968942 3.79319622 10.59319656 -1.22985897 -6.20680263 8.09983334 0.25309984 -0.99992727 4.23946345 -1.34839724 8.00204871 11.43906999 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 544-31-0 4671 170466102 A Palmitoylethanolamide O=C(CCCCCCCCCCCCCCC)NCCO Tox21_110222_1 -NCGC00263659-01 196722348 tox21-ror-cho-viability-p1 set3 4 37.5780357627 19.897265576 2.102734424 22 4.9549173134 0.6227758153 0.0814686979 6.69202899 0.58680475 2.49912754 4.17702022 4.09551501 -1.77602475 4.78540401 2.21802603 -1.10473125 -1.18379481 6.26458833 4.52117176 -3.66438798 -0.80399981 18.56857609 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1180-71-8 179651 170465751 A Limoni C[C@]35CC[C@@H]1[C@@]76COC(=O)C[C@@H]7OC(C)(C)[C@@H]6CC(=O)[C@@]1(C)[C@@]45O[C@@H]4C(=O)O[C@H]3c2ccoc2 Tox21_111513_1 -NCGC00253573-01 196722353 tox21-ror-cho-viability-p1 set3 4 -1.14104451 0.23049797 2.21866164 0.81405868 3.9562606 2.36174267 1.93991919 4.29593136 -5.25523261 -7.96633549 -10.72907153 4.53918909 0.00204852 7.10500566 0.05725711 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103475-41-8 59757 170466265 A A Tepoxalin CN(O)C(=O)CCc2cc(c1ccc(Cl)cc1)n(n2)c3ccc(OC)cc3 Tox21_113717 -NCGC00256110-01 196700968 tox21-ror-cho-viability-p1 set1 4 13.6854287769 -15.340229472 1 -14.340229472 2.2526478767 0.8116939612 0.0061955393 1.62569381 -0.6136715 2.05623487 1.07799151 -1.71558307 3.82582061 0.4327906 -0.60510631 0.09523563 0.45808651 0.61270111 2.09771474 -15.28352456 -10.01842367 -13.88573941 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51282-49-6 171018 144211583 A A Methyl 5-chloro-2-nitrobenzoate O=[N+]([O-])c1ccc(Cl)cc1C(=O)OC Tox21_301266 -NCGC00163906-02 196700964 tox21-ror-cho-viability-p1 set1 4 76.9588215421 9.083229488 0.416770512 9.5 4.9549173134 0.3937242592 0.2824772985 0.94970362 0.93883301 -3.01638952 -0.91243213 -0.68986131 4.41714044 1.9385549 0.15000665 2.8732212 2.44992308 -0.12332407 -0.1129932 -3.40269124 -1.4236648 7.04251649 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00255347-01 196700970 tox21-ror-cho-viability-p1 set1 4 -0.25967192 -1.17306427 -2.12532213 -2.14935827 -0.97949141 0.13725676 -2.01002634 -4.08729262 1.19015236 0.97696162 -0.74273395 -0.49175661 -2.18756862 -4.68096463 -1.78851632 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23564-06-9 3032792 144212226 A A Thiophanate S=C(Nc1ccccc1NC(=S)NC(=O)OCC)NC(=O)OCC Tox21_301909 -NCGC00255265-01 196700997 tox21-ror-cho-viability-p1 set1 4 1.16409772 0.03065547 -0.13005642 -0.33724526 1.60838281 -0.6189393 0.91621366 -0.76032879 0.37268745 1.75184771 -4.24432789 -8.18516104 -0.34722978 1.24831708 -4.2404545 8.0809999999E-10 1.8069999999E-9 4.041E-9 9.035E-9 2.02E-8 4.517E-8 1.01E-7 2.2589999999E-7 5.0509999999E-7 0.000001129 0.000002525 0.000005647 0.00001263 0.00002823 0.00006313 71-63-6 441207 144212586 A Digitoxin O=C1C=C(CO1)[C@H]8CC[C@@]7(O)[C@]8(C)CC[C@H]3[C@H]7CC[C@@H]2C[C@H](CC[C@@]23C)O[C@@H]6O[C@H](C)[C@@H](O[C@H]5C[C@H](O)[C@H](O[C@H]4C[C@H](O)[C@H](O)[C@@H](C)O4)[C@@H](C)O5)[C@@H](O)C6 Tox21_302269 -NCGC00255690-01 196700585 tox21-ror-cho-viability-p1 set1 4 0.83362908 -1.82645558 0.76391532 -0.70181606 -1.79902955 -1.24545404 -5.94688547 -4.29758524 0.73039691 -2.53514111 -2.58409932 -0.08572614 -0.52747909 1.89591225 1.46645234 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 83-05-6 6730 144211749 A A p,p'-DDA Clc1ccc(cc1)C(C(=O)O)c2ccc(Cl)cc2 Tox21_301432 -NCGC00163919-02 196700587 tox21-ror-cho-viability-p1 set1 4 1.4045985 -0.01046981 2.46974137 0.10606266 4.30875242 8.0649355 -0.79811746 3.5500281 1.56044102 0.52879093 -0.75894335 -0.96827956 -0.30313276 0.79696975 0.46656455 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00255596-01 196700996 tox21-ror-cho-viability-p1 set1 4 2.2308471 0.75308354 1.04126888 3.19533035 4.11718435 0.48660397 -1.47649321 6.01420907 -0.66436838 3.69863162 2.86187832 -1.24250867 2.39584992 0.39818826 0.57097293 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 1713-15-1 15580 144212720 A A 2,4-D-isobutyl Clc1cc(Cl)ccc1OCC(=O)OCC(C)C Tox21_302403 -NCGC00255503-01 196701001 tox21-ror-cho-viability-p1 set1 4 -2.36493648 -3.07332795 8.23459095 1.04112627 0.31621358 -2.16265869 -1.68328787 -0.99054729 -2.56964602 -1.87613839 -9.88009313 -6.85827497 0.38580616 -3.57714139 -2.27343767 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4684-94-0 20812 144211920 A A 6-Chloro-2-picolinic acid OC(=O)c1cccc(Cl)n1 Tox21_301603 -NCGC00255724-01 196701002 tox21-ror-cho-viability-p1 set1 4 -6.32800065 -8.38992618 -8.42265139 -6.24712388 -5.66117736 -4.54156817 -7.20081208 -8.03318472 -5.38757808 -5.57740892 -0.74647224 -7.52166279 -0.3279042 -0.84651952 1.00202023 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2110-18-1 459494 144212090 A A 2-(3-Phenylpropyl)pyridine C(CCc1ccccn1)c2ccccc2 Tox21_301773 -NCGC00091643-08 196701005 tox21-ror-cho-viability-p1 set1 4 0.90275024 0.2653436 -0.57928764 -3.15518066 -2.98861724 -1.26543298 0.79429064 0.85895466 0.42390656 -3.25733831 -1.89705379 -2.20329007 0.16035835 -2.9395593 -5.29987769 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00091205-03 196701400 tox21-ror-cho-viability-p1 set1 4 0.08127636 0.97746259 0.52015208 0.34955766 -0.05032535 1.14016299 -0.23082045 -1.22673383 0.75747732 -0.50404588 -1.0374774 2.20345606 -0.02236237 -6.78466118 -2.41552185 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00255124-01 196701401 tox21-ror-cho-viability-p1 set1 4 -9.81696191 -5.07370514 -7.75462883 -5.63024206 -5.64018432 -8.18630226 -1.77410967 -5.68495175 -9.50903853 -4.23158639 0.05474766 -1.08003948 -5.77482272 -6.04425789 -13.72558082 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14028-44-5 2170 144212669 A A Amoxapine Clc1ccc2Oc4ccccc4N=C(c2c1)N3CCNCC3 Tox21_302352 -NCGC00257850-01 196730028 tox21-ror-cho-viability-p1 set3 4 0.70495262 1.18018261 -0.12734205 -3.15711915 -2.64891308 -2.26973997 -0.088201 -2.44607393 -5.76085873 -8.78764893 -2.77653365 -0.57874074 -5.47123036 -3.75268501 -3.81406533 1.214E-9 2.7139999999E-9 6.0679999999E-9 1.357E-8 3.034E-8 6.7839999999E-8 1.517E-7 3.3919999999E-7 7.5849999999E-7 0.000001696 0.000003793 0.0000084809999999 0.00001896 0.000042399999999 0.000094819999999 15345-89-8 5273621 144207494 A A Desmethoxyyangonin COC=2C=C(/C=C/c1ccccc1)OC(=O)C=2 Tox21_200296 -NCGC00258376-01 196729599 tox21-ror-cho-viability-p1 set3 4 0.33554512 1.45008752 0.37003831 1.94175193 2.93519504 -0.0552453 -0.71484178 -1.04473896 2.11993316 13.67763209 -1.75003433 0.16515397 1.34173821 -1.7434432 1.35313497 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041219999999 0.00009218 75-52-5 6375 144208020 AC Bc Nitromethane [O-][N+](C)=O Tox21_200822 -NCGC00258528-01 196729613 tox21-ror-cho-viability-p1 set3 4 10.7381980917 5.7974277119 -1.2974277119 4.5 4.9549173134 0.4387571821 0.2374624958 0.07108252 -0.45275615 -2.47149163 2.81617274 -1.51671691 -1.41252999 -0.50654845 0.42313347 -2.01495119 -0.13570324 -7.33118976 -1.28440214 7.86307812 3.54110515 1.62240402 1.1679999999E-9 2.6109999999E-9 5.838E-9 1.305E-8 2.919E-8 6.5269999999E-8 1.4599999999E-7 3.264E-7 7.298E-7 0.0000016319999999 0.0000036489999999 0.000008159 0.000018239999999 0.000040799999999 0.00009122 610-66-2 11888 144208173 A A (2-Nitrophenyl)acetonitrile O=[N+]([O-])c1ccccc1CC#N Tox21_200975 -NCGC00258316-01 196730009 tox21-ror-cho-viability-p1 set3 4 -0.41054571 -5.78833001 -2.93291139 -3.18422123 -2.87122846 -4.24310574 0.13568028 -3.73986353 2.88571943 0.82539701 -0.46591412 0.54261058 1.7670134 -1.20174467 -2.03233914 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.312E-7 7.405E-7 0.000001656 0.000003702 0.000008279 0.00001851 0.0000414 0.00009256 57-48-7 439709 144207960 D D-Fructose O[C@H]1[C@H](O)[C@@H](CO)O[C@]1(O)CO Tox21_200762 -NCGC00258369-01 196730424 tox21-ror-cho-viability-p1 set3 4 0.82302592 0.18723112 -0.62771152 1.70569545 1.90143966 -0.02658905 1.76044093 1.00751251 0.45616836 0.09963807 1.52049344 0.26988541 0.85877367 -3.95358204 3.7457638 1.19E-9 2.6619999999E-9 5.9519999999E-9 1.331E-8 2.976E-8 6.655E-8 1.4879999999E-7 3.3269999999E-7 7.44E-7 0.0000016639999999 0.00000372 0.000008319 0.0000186 0.00004159 0.000093 50-23-7 5754 144208013 A A Hydrocortisone OCC(=O)[C@@]4(O)CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_200815 -NCGC00257971-01 196730442 tox21-ror-cho-viability-p1 set3 4 0.4345322786 9.17933418 -7.67933418 1.5 0.7 0.7733590255 0.0134594072 -8.89944515 -5.34780706 -8.10788439 -6.26081372 -5.97490141 -6.36299923 -6.97943985 -1.14954035 -0.74460282 -2.96145898 -2.97834944 4.22532195 2.06152736 -0.0951967 0.53979362 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.96E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 2809-21-4 3305 144207615 A Ac Etidronic acid CC(O)(P(O)(=O)O)P(=O)(O)O Tox21_200417 -NCGC00256076-01 196728021 tox21-ror-cho-viability-p1 set3 4 13.6854287769 -7.5984671999 3 -4.5984671999 2.4063783767 0.4607554229 0.215606824 0 -1.1192264 7.37009574 4.58781612 3.6050206 5.63268703 -0.93842112 -0.99662888 4.02669892 5.05100853 6.54191347 2.80135195 -4.2853763 -1.01829648 -6.332056 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 475-20-7 1796220 144212624 A F Longifolene C[C@@]32CCCC(C)(C)[C@H]1[C@H](CC[C@H]12)C3=C Tox21_302307 -NCGC00257193-01 196727593 tox21-ror-cho-viability-p1 set3 4 5.4482673282 8.1409885879 -4.6409885879 3.5 4.9549173134 0.3688508023 0.3021182447 0.39677409 1.44674216 -1.32771526 -1.66764135 1.63789063 -7.50598191 -8.97247794 -10.11749049 -7.71170154 -8.14767727 -8.38868084 9.52164866 3.12124161 0.63056592 0.50722514 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81-20-9 6672 144213654 F A 1,3-Dimethyl-2-nitrobenzene Cc1cccc(C)c1[N+](=O)[O-] Tox21_303337 -NCGC00256569-01 196727598 tox21-ror-cho-viability-p1 set3 4 0.0015355304 -17.421443592 18 0.578556408 3.9899729863 0.3859335783 0.3022087751 13.48844197 2.27556456 2.13899555 3.51838295 -0.6818967 -5.22896137 -7.01786966 0.8499936 1.98615131 -2.41579162 -1.63539594 11.77093116 0.86644848 2.45127121 6.29229678 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-91-0 68570 144213948 A A 17alpha-Estradiol Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@H](O)CC[C@@H]12)c4cc3 Tox21_303644 -NCGC00255880-01 196728013 tox21-ror-cho-viability-p1 set3 4 0.57916986 -4.47088453 -1.46370561 -1.01459298 -1.36326026 1.19157571 2.29832633 2.40981544 -5.18520902 0.60864528 -3.82195009 0.62884999 0.18418149 -0.58729045 2.14354345 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-94-5 8454 144211529 Fns N-Methylpyrrolidine CN1CCCC1 Tox21_301212 -NCGC00255336-01 196728432 tox21-ror-cho-viability-p1 set3 4 1.63850548 -3.88885322 -0.00028372 4.43443364 2.84009942 -0.87425731 -5.75995082 -8.89808868 4.24336268 6.29914563 4.72550872 -3.45187906 1.34175326 -2.35069415 5.22889401 9.438E-10 2.11E-9 4.719E-9 1.055E-8 2.3589999999E-8 5.276E-8 1.1799999999E-7 2.6379999999E-7 5.899E-7 0.000001319 0.0000029489999999 0.0000065949999999 0.00001475 0.00003297 0.00007373 6893-02-3 5920 144212260 A A 3,5,3'-Triiodothyronine O=C(O)[C@@H](N)Cc2cc(I)c(Oc1cc(I)c(O)cc1)c(I)c2 Tox21_301943 -NCGC00255965-01 196728443 tox21-ror-cho-viability-p1 set3 4 8.6349217992 17.64484118 -2.64484118 15 4.9549173134 0.5661658088 0.1375760436 1.05074198 8.26655835 6.19680792 2.27227706 -2.46260674 -7.30696384 -11.78736765 -6.37920486 -6.19214936 -3.34518937 -6.40499024 4.99503765 16.38669255 12.98683653 3.85963723 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 83881-52-1 55182 144212578 A A Cetirizine dihydrochloride Cl.Cl.O=C(O)COCCN1CCN(CC1)C(c2ccc(Cl)cc2)c3ccccc3 Tox21_302261 -NCGC00254895-01 196714486 tox21-ror-cho-viability-p1 set2 4 -2.70923271 -5.33357241 -2.7540929 -3.77988478 -2.49044178 -2.30043343 0.60431471 -2.51039971 -2.78169038 -3.5180524 -1.17187917 -0.62819327 -2.2623708 -3.97619064 1.06962262 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135-77-3 67284 144211310 A Ac 1,2,4-Trimethoxybenzene COc1cc(ccc1OC)OC Tox21_300993 -NCGC00254938-01 196714081 tox21-ror-cho-viability-p1 set2 4 1.38802983 1.95028091 3.88991488 1.04347612 -0.25207193 1.32111421 2.06703593 1.19395143 -0.40229376 -0.38269799 -1.40258549 1.67403969 0.8946274 -6.00569955 1.30458597 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 110-99-6 8088 144211353 A A Diglycolic acid O=C(O)COCC(=O)O Tox21_301036 -NCGC00254689-01 196714087 tox21-ror-cho-viability-p1 set2 4 4.17849075 3.80751496 3.4762126 2.05209219 2.44557789 4.55610607 3.76753483 0.82958969 2.76865324 -0.38668486 1.33154992 1.57116322 3.62186577 2.15821971 3.84862651 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 66230-04-4 10342051 144211102 A A Esfenvalerate Clc1ccc(cc1)[C@H](C(C)C)C(=O)O[C@H](C#N)c3cccc(Oc2ccccc2)c3 Tox21_300785 -NCGC00254129-01 196714483 tox21-ror-cho-viability-p1 set2 -2.2 48.5577336745 -63.504064484 1.1972236289 -62.3068408551 3.1319983358 0.9812536655 3.27E-8 -2.8991811 -0.042897 1.35120407 0.39595382 0.46738796 3.61001223 0.46277044 2.17936434 2.00336752 2.00519595 0.17590091 0.73861861 3.62864185 -24.75045007 -54.39912186 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 444610-91-7 10233356 144210542 A A PharmaGSID_47315 O=C(O)COc1ccc(cc1CC)SCc4sc(nc4CN2CCN(CC2)c3ccc(OC)cc3)c5ccc(cc5)C(F)(F)F Tox21_300222 -NCGC00259626-01 196709536 tox21-ror-cho-viability-p1 set2 4 3.33476939 2.34561523 5.86638335 2.89089777 5.17348948 0.17730904 -0.26081275 3.22263624 4.78903228 2.80407716 4.47373578 3.55524465 2.66996605 2.5397307 -0.66717711 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.65E-8 1.487E-7 3.325E-7 7.4339999999E-7 0.000001662 0.0000037169999999 0.000008312 0.00001859 0.00004156 0.00009293 56-81-5 753 144209275 A A Glycerol OCC(O)CO Tox21_202077 -NCGC00259350-01 196709521 tox21-ror-cho-viability-p1 set2 4 77.6637265632 -13.449785896 0 -13.449785896 4.9549173134 0.7529739995 0.0190662328 1.6968118 0.29956896 0.09572384 -4.36251277 1.88613779 0.49255282 -0.33768111 -0.72968092 0.35676934 -0.36947493 -0.24957156 1.49097392 1.41169387 0.78836767 -10.37482158 1.189E-9 2.66E-9 5.9469999999E-9 1.3299999999E-8 2.973E-8 6.649E-8 1.487E-7 3.3239999999E-7 7.4339999999E-7 0.000001662 0.0000037169999999 0.0000083109999999 0.000018579999999 0.00004156 0.00009292 1724-39-6 15595 144208999 A A Cyclododecanol OC1CCCCCCCCCCC1 Tox21_201801 -NCGC00259026-01 196709523 tox21-ror-cho-viability-p1 set2 -2.2 21.9945174557 -32.7489776799 1 -31.7489776799 1.6258976909 0.9529296121 0.0000060501 1.34060791 1.01441812 -1.30492527 -0.06342511 0.76018908 0.35673669 2.06888535 -0.16573537 1.37430619 0.8045391 2.48582738 -5.02932847 -18.73263601 -19.26305704 -31.4574814 1.314E-9 2.938E-9 6.569E-9 1.469E-8 3.284E-8 7.344E-8 1.642E-7 3.672E-7 8.211E-7 0.000001836 0.000004105 0.0000091799999999 0.00002053 0.0000459 0.00010259999999 75330-75-5 53232 144208673 A A Lovastatin C[C@@H](CC)C(=O)O[C@H]2C[C@@H](C)C=C3C=C[C@H](C)[C@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@@H]23 Tox21_201475 -NCGC00259844-01 196709532 tox21-ror-cho-viability-p1 set2 4 54.4826732819 -15.2143849839 1.5 -13.7143849839 2.3531167061 0.7875647644 0.0103995926 3.75899636 0.1302825 3.86084288 0.00125657 1.49595913 -1.33918093 1.31087786 0.28038975 -0.20626272 3.4786929 2.45014521 3.18182211 -1.39680754 -2.92552172 -10.59532082 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.00001844 0.000041219999999 0.00009218 10605-21-7 25429 144209493 A A Carbendazim O=C(OC)Nc1nc2ccccc2n1 Tox21_202295 -NCGC00255946-01 196709946 tox21-ror-cho-viability-p1 set2 -2.2 48.5577336745 -43.962227264 1.5 -42.462227264 1.5385888099 0.9714300031 3.69E-7 3.48173306 1.98687029 1.6147815 2.07106131 2.69610644 1.81030476 0.59447912 1.35012638 1.06002118 -0.35630526 1.35759148 -4.01400935 -7.02190594 -14.02232809 -32.46852272 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3878-19-1 19756 144211891 A A Fuberidazole n1c3ccccc3nc1c2ccco2 Tox21_301574 -NCGC00255225-01 196709948 tox21-ror-cho-viability-p1 set2 -1.1 19.3311819617 -81.9625492 0.6556320829 -81.3069171171 4.9549173134 0.9862014057 5.5E-9 -6.08740829 4.0623298 2.88664646 4.27502791 1.99244453 2.33492918 -0.79537256 -0.50379301 -0.53397896 1.80772531 1.20627538 -6.55732968 -31.93093125 -84.16865126 -78.51986858 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58-27-5 4055 144211684 A F Menadione O=C2C=C(C)C(=O)c1ccccc12 Tox21_301367 -NCGC00255614-01 196709953 tox21-ror-cho-viability-p1 set2 4 5.80804478 -1.08967416 1.27801541 1.28735641 -0.46141368 0.58252152 -0.05301425 0.15061577 1.12022042 2.24288614 1.11284137 3.05690564 1.39083091 3.58997992 3.30054683 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19408-46-9 88045 144212553 Ac Kasugamycin hydrochloride Cl.O=C(O)C(=N)N[C@H]2C[C@H](N)[C@@H](O[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1O)O[C@@H]2C Tox21_302236 -NCGC00256215-01 196710760 tox21-ror-cho-viability-p1 set2 4 4.65373533 5.6824384 2.04087435 1.21293422 3.85042054 3.74353286 -0.35152418 0.07712034 1.64062416 1.79941394 0.66560582 2.84816534 0.10226818 1.64553384 7.70560915 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5943-30-6 94314 144212264 A F Dibutan-2-yl disulfide CC(CC)SSC(C)CC Tox21_301947 -NCGC00257539-01 196701041 tox21-ror-cho-viability-p1 set1 4 3.07678056 1.43669353 0.46275322 -0.72110085 1.47079877 0.74741338 1.29112743 0.42549375 3.21402579 3.08964187 5.18442681 -0.2427761 1.33515883 0.8197005 0.23763044 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 62-55-5 2723949 144211612 A A Thioacetamide CC(N)=S Tox21_301295 -NCGC00357061-01 196703104 tox21-ror-cho-viability-p1 set1 4 -4.76612962 -9.40849992 -1.61540023 -6.09347648 -3.72889874 -5.89176057 -0.08319796 1.22629634 -3.9054334 -1.13939665 -3.81193131 -4.11597473 -5.8315408 2.12525796 -4.23442294 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 609-66-5 69111 251919915 A 2-Chlorobenzamide O=C(N)c1ccccc1Cl Tox21_303767 -NCGC00255553-01 196701052 tox21-ror-cho-viability-p1 set1 4 -0.65948411 0.20384787 -2.48903043 0.63644721 -1.83411778 0.0763898 5.95704017 4.29474737 0.67130786 4.11959045 -2.10186261 -1.3572829 0.84432855 -3.2634276 -2.61938567 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2444-46-4 2998 144211535 A A Nonivamide Oc1ccc(cc1OC)CNC(=O)CCCCCCCC Tox21_301218 -NCGC00091080-03 196701036 tox21-ror-cho-viability-p1 set1 4 12.8684646895 -13.147508224 0.5 -12.647508224 2.3531167061 0.9132363665 0.0001590643 0.50818043 -0.1149309 0.61142222 2.13425502 1.48531622 -0.93859344 0.22828706 1.20561594 -0.26170013 -0.02742888 0.01320712 -3.65016351 -6.855077 -15.12292352 -9.8718971 1.121E-9 2.506E-9 5.6039999999E-9 1.2529999999E-8 2.802E-8 6.265E-8 1.401E-7 3.133E-7 7.005E-7 0.000001566 0.0000035019999999 0.000007831 0.00001751 0.00003916 0.00008756 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00090702-02 196701048 tox21-ror-cho-viability-p1 set1 4 0.67545861 -1.56735554 -0.72915432 -3.97725567 -11.668138 -5.1952065 -3.45575992 -2.20788535 -5.99047806 1.93774729 -5.60331209 -10.59725437 -1.54925732 -14.24859674 -10.46884721 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00255133-01 196701053 tox21-ror-cho-viability-p1 set1 4 0.22203231 0.47278974 -0.96429065 -6.04466851 -4.97187083 0.19712719 -5.46839299 2.17050175 0.23235638 1.19723303 -0.81344151 -0.59072478 -0.41655237 -4.39861763 -3.44442492 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22232-54-8 31072 144212637 A A Carbimazole S=C1N(C=CN1C)C(=O)OCC Tox21_302320 -NCGC00258606-01 196701884 tox21-ror-cho-viability-p1 set1 4 1.11089949 -0.37874767 -0.0606096 8.96198723 -6.435146 0.11284704 3.5883617 2.14446224 6.15196934 -1.95181861 1.56883428 -7.96743292 -5.28346813 3.4908357 1.18298106 1.134E-9 2.5349999999E-9 5.669E-9 1.268E-8 2.835E-8 6.338E-8 1.4169999999E-7 3.169E-7 7.086E-7 0.0000015849999999 0.000003543 0.000007923 0.00001772 0.000039609999999 0.00008858 105-39-5 7751 144208251 D Ethyl chloroacetate ClCC(=O)OCC Tox21_201053 -NCGC00257601-01 196701888 tox21-ror-cho-viability-p1 set1 4 -15.70742135 -4.13780172 -4.24541119 -7.5619898 -21.14344013 -12.55758622 -12.3581161 -6.04934736 -8.97546102 -16.49403364 -16.43720393 -4.47537823 -22.90117013 -12.48918755 -11.9982571 1.244E-9 2.782E-9 6.22E-9 1.391E-8 3.11E-8 6.954E-8 1.5549999999E-7 3.4769999999E-7 7.775E-7 0.000001738 0.000003887 0.0000086919999999 0.00001944 0.00004346 0.00009718 2163-42-0 75103 144207245 A A 2-Methylpropane-1,3-diol CC(CO)CO Tox21_200047 -NCGC00257752-01 196702287 tox21-ror-cho-viability-p1 set1 4 3.88662301 0.9468144 0.71210592 1.47800718 -0.72840829 1.26567556 1.80474131 1.52952333 0.06457293 4.93888029 0.44305162 1.17725878 0.2852401 1.37624942 4.33862837 1.194E-9 2.6689999999E-9 5.968E-9 1.3339999999E-8 2.9839999999E-8 6.672E-8 1.4919999999E-7 3.3359999999E-7 7.4599999999E-7 0.000001668 0.00000373 0.00000834 0.00001865 0.0000417 0.00009324 619-67-0 12089 144207396 FC 4-Hydrazinobenzoic acid NNc1ccc(cc1)C(=O)O Tox21_200198 -NCGC00258439-01 196702286 tox21-ror-cho-viability-p1 set1 4 0.2180027743 5.8184534239 -6.8184534239 -1 4.9549173134 0.3599828646 0.3270597203 -2.97508359 -7.99668063 -13.18204452 -7.58016357 -2.92068729 -5.47175996 -8.23534365 0.7780917 -3.00192132 0.66742717 0.1651686 -3.35044528 -8.57957936 6.32940571 -7.280885 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.311E-7 7.405E-7 0.000001656 0.000003702 0.000008279 0.00001851 0.00004139 0.00009256 2210-79-9 16640 144208083 A A o-Cresyl glycidyl ether Cc2ccccc2OCC1CO1 Tox21_200885 -NCGC00258593-01 196702291 tox21-ror-cho-viability-p1 set1 4 3.98282171 0.71783696 1.6286789 0.23544603 6.8428035 -0.08471477 4.32964862 9.22823204 4.23463669 -0.65882627 -0.29720892 2.7304362 5.67188654 0.65042308 -0.53744271 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 84-76-4 6787 144208238 A Z Dinonyl phthalate O=C(OCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCC Tox21_201040 -NCGC00258609-01 196702292 tox21-ror-cho-viability-p1 set1 4 27.6117615216 12.6621745839 -1.6621745839 11 4.0949729863 0.606194323 0.1074574272 -0.44232686 -1.91755472 1.43737954 -1.94546542 -1.80051354 0.41689247 -8.46847882 -2.10731605 -1.87145438 -1.9757982 0.84373922 0.366855 0.54461079 9.44173641 0.90849074 1.191E-9 2.663E-9 5.955E-9 1.332E-8 2.977E-8 6.6579999999E-8 1.489E-7 3.3289999999E-7 7.4439999999E-7 0.0000016639999999 0.0000037219999999 0.000008322 0.00001861 0.000041609999999 0.00009305 87-99-0 6912 144208254 A Xylitol O[C@H](CO)[C@H](O)[C@@H](O)CO Tox21_201056 -NCGC00258190-01 196702297 tox21-ror-cho-viability-p1 set1 4 -5.49840732 -4.29448722 -6.55105646 -2.82473033 -0.42313345 -4.78656503 -4.92568112 -0.74987544 -0.24816212 -4.19363786 -8.6287301 -14.81615221 -5.62676536 -4.06148952 3.6786155 1.206E-9 2.697E-9 6.0309999999E-9 1.349E-8 3.016E-8 6.743E-8 1.5079999999E-7 3.372E-7 7.539E-7 0.0000016859999999 0.00000377 0.000008429 0.00001885 0.000042149999999 0.000094239999999 1629-58-9 15394 144207834 FNS Ethyl vinyl ketone C=CC(=O)CC Tox21_200636 -NCGC00257650-01 196702703 tox21-ror-cho-viability-p1 set1 4 9.7970226882 -22.673295948 -0.5 -23.173295948 0.2 0.4698488805 0.2063308383 -4.06388484 -5.93598599 2.27477101 -9.51254502 -11.23226056 -3.14298298 -11.81421484 -4.31772756 -6.24470519 -6.87864258 -13.31244985 -7.7080306 -14.08019694 -17.64441329 -13.78491187 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.976E-8 6.655E-8 1.4879999999E-7 3.3279999999E-7 7.441E-7 0.0000016639999999 0.00000372 0.000008319 0.0000186 0.00004159 0.00009301 529-33-9 10723 144207294 A A 1,2,3,4-Tetrahydronaphthalen-1-ol OC2CCCc1ccccc12 Tox21_200096 -NCGC00255684-01 196701422 tox21-ror-cho-viability-p1 set1 -2.1 61.130564862 -85.4282852211 -2.52400566 -87.9522908811 2.8472712143 0.9391861971 0.0000242912 -15.8086242 -5.41866647 -2.52107597 -1.55730261 -4.19639812 2.04525873 2.09438169 -0.75175559 -0.78680251 -0.04652814 -0.45367674 -2.17808899 -9.41954192 -21.72179124 -68.14567491 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26172-54-3 117746 144212252 A A 2-Methyl-4-isothiazolin-3-one hydrochloride Cl.O=C1C=CSN1C Tox21_301935 -NCGC00257869-01 196701836 tox21-ror-cho-viability-p1 set1 4 0.0211177172 -8.408829112 0 -8.408829112 4.9549173134 0.3921966038 0.2960212779 -1.18137822 -7.84579929 0.050559 10.73645894 -10.44661757 -8.36535088 -4.59700918 -6.50509414 -11.25972143 -11.02989028 -9.3415305 -12.42402426 -6.9909203 -1.8318946 4.88311102 1.154E-9 2.5799999999E-9 5.7679999999E-9 1.29E-8 2.884E-8 6.449E-8 1.4419999999E-7 3.224E-7 7.21E-7 0.000001612 0.000003605 0.000008061 0.00001802 0.0000403 0.00009012 404-86-4 1548943 144207513 A A Capsaicin Oc1ccc(cc1OC)CNC(=O)CCCC/C=C/C(C)C Tox21_200315 -NCGC00258327-01 196701816 tox21-ror-cho-viability-p1 set1 4 4.85572684 -2.086402 0.57329565 4.34049593 0.28064615 2.38863211 0.34682406 5.65603419 5.25146798 3.07619307 -0.97155516 0.98881604 -0.13706734 2.22006243 4.61954371 1.196E-9 2.674E-9 5.9789999999E-9 1.337E-8 2.989E-8 6.685E-8 1.4949999999E-7 3.3419999999E-7 7.4739999999E-7 0.000001671 0.000003737 0.000008356 0.000018679999999 0.000041779999999 0.00009342 603-83-8 11783 144207971 A A 2-Methyl-3-nitroaniline Cc1c(cccc1N)[N+]([O-])=O Tox21_200773 -NCGC00257776-01 196701817 tox21-ror-cho-viability-p1 set1 4 0.47833054 -1.4002292 1.30191803 1.88080115 0.6070943 3.51655449 2.91727846 0.29574546 5.70765007 -0.69702602 2.55418995 0.27804581 3.48845003 1.0192571 5.23751254 1.2149999999E-9 2.718E-9 6.077E-9 1.359E-8 3.0389999999E-8 6.794E-8 1.519E-7 3.397E-7 7.596E-7 0.000001699 0.000003798 0.000008493 0.000018989999999 0.00004246 0.00009495 91-17-8 7044 144207420 FNS Decalin C1CCC2CCCCC2C1 Tox21_200222 -NCGC00258670-01 196701840 tox21-ror-cho-viability-p1 set1 4 0.80930201 0.20296913 -0.77893715 2.42705614 -0.15507018 2.96766197 0.6841151 1.54571067 4.68596676 -0.44936778 -0.9666418 0.96566183 2.04456462 3.33241547 5.41139565 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.354E-7 0.0000016439999999 0.0000036769999999 0.0000082219999999 0.000018379999999 0.00004111 0.00009192 137-17-7 8717 144208316 A Ac 2,4,5-Trimethylaniline Cc1cc(C)c(N)cc1C Tox21_201118 -NCGC00164127-03 196702234 tox21-ror-cho-viability-p1 set1 -2.1 61.130564862 -95.0184040474 2.3058369799 -92.7125670675 3.9899729863 0.9844450763 1.1E-8 0.947681 -2.96221385 0.85270323 5.50882943 0.89492167 6.44949747 5.76557833 1.06234153 5.98794163 1.77118123 2.27658765 0.91862963 -0.54767602 -13.70850137 -77.43376293 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00258194-01 196702243 tox21-ror-cho-viability-p1 set1 4 0.53768103 -1.58202687 1.28386312 9.30421229 0.59901748 0.92134401 1.32763456 -2.19066871 -3.14778441 -1.15112224 -5.72268749 3.06833208 1.65050277 0.25039221 -1.49326841 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 78-88-6 6565 144207838 AC Ac 2,3-Dichloro-1-propene C=C(Cl)CCl Tox21_200640 -NCGC00258542-01 196702251 tox21-ror-cho-viability-p1 set1 -2.2 31.418428339 -62.4951352506 -4.360399635 -66.8555348856 1.8851180601 0.9375144982 0.0000280904 -1.51648671 -5.17349628 -0.22801643 0.95517927 -6.45239488 4.95879031 -6.67047332 -7.67350966 -7.99839624 -10.63030409 -9.78111567 -11.31289676 -16.8162463 -47.19633792 -58.64520604 1.2049999999E-9 2.695E-9 6.026E-9 1.347E-8 3.013E-8 6.737E-8 1.507E-7 3.3689999999E-7 7.533E-7 0.0000016839999999 0.000003766 0.000008422 0.000018829999999 0.000042109999999 0.000094159999999 65646-68-6 5288209 144208187 B B 4-Hydroxyphenyl retinamide CC=2CCCC(C)(C)C=2/C=CC(\C)=C\C=C\C(\C)=C\C(=O)Nc1ccc(O)cc1 Tox21_200989 -NCGC00091499-05 196702254 tox21-ror-cho-viability-p1 set1 4 -5.07090023 -0.02411204 0.88438305 1.09591817 1.0838442 -8.39334026 -4.02521599 -7.12745709 -0.00432625 -5.39109572 0.00601908 -10.1908607 -3.92409228 -0.66670101 -6.61885371 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00164164-02 196702257 tox21-ror-cho-viability-p1 set1 4 0.0273060203 -5.111908144 -2.354193004 -7.466101148 3.9899729863 0.5213858883 0.1619834914 -1.12849417 -3.87178931 -2.01780808 -1.86604704 -5.50939368 -9.2741949 -12.05508429 -8.35238432 -4.99564214 -6.93760093 -3.46129662 -5.08870948 -9.26609314 -7.86574168 -5.32782373 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00257600-01 196702660 tox21-ror-cho-viability-p1 set1 4 26.8623235891 18.090028424 -6.090028424 12 4.9549173134 0.3964645203 0.2918255234 -9.05496829 -0.82596764 -7.39060092 -1.57180548 -5.07968587 -1.27570011 -1.47830098 -2.25658264 -0.844812 -14.50527467 -17.15835702 -8.42541333 -4.19276573 9.8609397 -7.47360316 1.164E-9 2.602E-9 5.819E-9 1.301E-8 2.91E-8 6.506E-8 1.4549999999E-7 3.253E-7 7.274E-7 0.0000016269999999 0.0000036369999999 0.0000081329999999 0.00001819 0.000040659999999 0.00009093 143-23-7 8924 144207244 FC N-(6-Aminohexyl)hexane-1,6-diamine NCCCCCCNCCCCCCN Tox21_200046 -NCGC00257591-01 196702666 tox21-ror-cho-viability-p1 set1 4 -13.37367348 -2.30982968 -7.06878755 -0.95908436 -9.09917364 -2.77079473 -7.50024092 -8.00407403 -1.46542591 -14.51572109 -4.04694338 -3.40357385 -4.01975936 -1.65580426 0.55585792 1.182E-9 2.6429999999E-9 5.91E-9 1.322E-8 2.955E-8 6.608E-8 1.4779999999E-7 3.304E-7 7.388E-7 0.0000016519999999 0.0000036939999999 0.0000082599999999 0.000018469999999 0.000041299999999 0.00009235 1647-16-1 15439 144207235 FNS 1,9-Decadiene C=CCCCCCCC=C Tox21_200037 -NCGC00254917-01 196699785 tox21-ror-cho-viability-p1 set1 4 0.63530564 -0.37669882 2.35183294 0.77281155 0.45755309 3.15272469 6.25779147 -0.54045618 4.78278229 -2.99758063 0.40727222 0.12104563 -10.19442564 0.99124284 2.03951459 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10361-37-2 25204 144211332 Barium chloride Cl[Ba]Cl Tox21_301015 -NCGC00091650-03 196729271 tox21-ror-cho-viability-p1 set3 4 0.59836596 1.18283221 0.4874151 2.50300722 -0.49797254 -0.6369349 0.28410461 1.46730545 -0.43244487 -1.53606726 3.19719145 3.04007181 1.00374987 -0.75942435 0.65262718 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00258722-01 196729254 tox21-ror-cho-viability-p1 set3 4 61.8150341915 11.3103828239 -1.3103828239 10 0.8999999999 0.5314183701 0.1536280091 -1.5422108 -4.37576734 -0.80883233 -2.68118559 -5.67531902 0.98274299 1.48166275 1.17949888 -0.76831257 -0.18333325 -1.54062452 0.94211607 1.61501431 1.3074099 7.04327203 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.3289999999E-7 7.445E-7 0.000001665 0.0000037219999999 0.000008324 0.00001861 0.00004162 0.00009306 75-33-2 6364 144208368 D Isopropyl mercaptan CC(C)S Tox21_201170 -NCGC00258777-01 196729261 tox21-ror-cho-viability-p1 set3 4 0.1796740872 -4.9113604999 4 -0.9113604999 3.9899729863 0.4907697547 0.2060807006 5.27193648 5.5520417 -1.05012008 2.79331412 4.63209655 6.40563431 2.08580494 0.17486268 -4.92613375 0.06800485 -1.65668658 -1.76230303 2.19882324 1.32664063 3.05952799 1.222E-9 2.732E-9 6.1089999999E-9 1.366E-8 3.055E-8 6.83E-8 1.5269999999E-7 3.415E-7 7.6359999999E-7 0.0000017079999999 0.000003818 0.000008538 0.00001909 0.000042689999999 0.000095459999999 2941-64-2 18056 144208423 AC Fns S-Ethyl chlorothioformic acid ClC(=O)SCC Tox21_201225 -NCGC00258043-01 196729269 tox21-ror-cho-viability-p1 set3 4 0.27066003 0.56024324 0.04509438 -0.33804075 -7.2843073 0.01051244 -8.30886037 -1.40383543 0.23317045 0.02663976 1.70189234 -0.6559712 -2.29238639 -2.36990756 -8.92007406 1.198E-9 2.679E-9 5.9899999999E-9 1.339E-8 2.995E-8 6.697E-8 1.4979999999E-7 3.3489999999E-7 7.488E-7 0.0000016739999999 0.000003744 0.000008371 0.000018719999999 0.000041859999999 0.00009359 20570-96-1 146540 144207687 D Benzylhydrazine dihydrochloride Cl.Cl.NNCc1ccccc1 Tox21_200489 -NCGC00258332-01 196729276 tox21-ror-cho-viability-p1 set3 4 1.94419346 -1.06259583 1.24605197 2.64346299 1.27376502 0.81558908 -0.48806731 2.86751283 2.65363365 0.20529334 0.28139013 2.27750798 -1.55868699 -2.14493476 -0.22809784 1.164E-9 2.603E-9 5.8199999999E-9 1.301E-8 2.91E-8 6.507E-8 1.4549999999E-7 3.254E-7 7.275E-7 0.0000016269999999 0.0000036379999999 0.000008134 0.00001819 0.00004067 0.00009094 79-36-7 6593 144207976 D Dichloroacetyl chloride ClC(Cl)C(Cl)=O Tox21_200778 -NCGC00258372-01 196729670 tox21-ror-cho-viability-p1 set3 4 -1.99959345 -3.80002762 1.40734201 -1.57649655 0.89871194 0.21764182 1.5561974 -3.03874144 -0.78870365 1.78079086 -2.15318798 3.85592323 0.1211509 -1.78613879 -4.49016002 1.198E-9 2.679E-9 5.991E-9 1.34E-8 2.996E-8 6.698E-8 1.4979999999E-7 3.3489999999E-7 7.4889999999E-7 0.000001675 0.000003745 0.000008373 0.000018719999999 0.000041859999999 0.000093609999999 136-95-8 8706 144208016 A A 2-Aminobenzothiazole Nc1nc2ccccc2s1 Tox21_200818 -NCGC00258746-01 196729676 tox21-ror-cho-viability-p1 set3 4 2.31003729 -58.01830051 2.1068 0.29808879 0.13556016 2.12565815 1.39565125 1.01966757 -1.64754518 10.19906008 0.26599981 -0.90911389 -0.2983014 0.6580027 4.77967419 1.213E-9 2.7119999999E-9 6.0629999999E-9 1.3559999999E-8 3.0319999999E-8 6.779E-8 1.516E-7 3.39E-7 7.579E-7 0.000001695 0.0000037899999999 0.000008474 0.00001895 0.000042369999999 0.000094739999999 306-37-6 9380 144208392 FNS 1,2-Dimethylhydrazine dihydrochloride Cl.Cl.CNNC Tox21_201194 -NCGC00258358-01 196729681 tox21-ror-cho-viability-p1 set3 4 1.74315592 -0.21537752 -0.03637094 -3.15588739 -1.34030017 2.47457631 0.88204226 0.94069476 2.72483004 2.68124285 2.62054575 2.09742618 -0.08946227 1.17026812 0.81470263 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018399999999 0.00004115 0.000092019999999 532-28-5 10758 144208002 F alpha-Hydroxybenzeneacetonitrile OC(C#N)c1ccccc1 Tox21_200804 -NCGC00258060-01 196729690 tox21-ror-cho-viability-p1 set3 3 69.3576091162 131.7863924735 -7.0235232892 124.7628691843 4.9549173134 0.9325427633 0.000042197 0.49003715 0.46906148 0.76081498 -9.08943799 -6.86111683 0.62062293 -1.63198777 -9.13687426 -6.73320302 -7.03646363 -8.10031536 -11.0197486 -12.56685375 -18.38588779 101.93044868 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.976E-8 6.655E-8 1.4879999999E-7 3.3279999999E-7 7.441E-7 0.0000016639999999 0.00000372 0.000008319 0.0000186 0.00004159 0.00009301 95-71-6 7253 144207704 A A Methylhydroquinone Oc1ccc(O)c(C)c1 Tox21_200506 -NCGC00257843-01 196730091 tox21-ror-cho-viability-p1 set3 4 -1.57235619 -6.68459401 -3.87733582 -4.00811036 -5.45320879 3.41700862 2.6468412 3.19880622 -17.40783976 -14.91967585 0 0 -1.17230967 -5.94225334 -0.27874005 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.0000082699999999 0.000018489999999 0.00004135 0.000092459999999 122-60-1 31217 144207487 A A Phenyl glycidyl ether c2ccc(OCC1CO1)cc2 Tox21_200289 -NCGC00257157-01 196727253 tox21-ror-cho-viability-p1 set3 4 -1.55844708 -0.7030531 0.00381146 -0.18423189 -2.76331814 0.21633176 0.18255547 -0.7972854 0.44122498 -2.44208074 1.32680185 -1.00787472 -0.03571834 0.83559494 -5.71613814 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-63-8 7451 144213373 F F 1,3-Benzenedicarbonyl dichloride O=C(Cl)c1cccc(c1)C(Cl)=O Tox21_303056 -NCGC00256575-01 196726840 tox21-ror-cho-viability-p1 set3 -2.2 43.2771256911 -45.4975767346 -0.932443871 -46.4300206056 2.4063783767 0.9189017117 0.0001109727 -1.47359302 0.98996584 -1.22256916 -1.13428737 -3.3426465 -3.78794451 -2.8310802 -0.51882153 -2.36907767 -1.69775687 -1.22914923 -1.78798523 4.60472613 -26.08323564 -39.71971258 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33229-34-4 36383 144213264 A A HC Blue 2 OCCN(CCO)c1ccc(NCCO)c(c1)[N+]([O-])=O Tox21_302947 -NCGC00256815-01 196726845 tox21-ror-cho-viability-p1 set3 4 3.7000088 3.76916339 2.23668501 1.54894869 1.26460706 2.76581826 3.76854886 -1.04613343 -0.84617686 -1.84304449 0.5969553 2.06133603 3.74362826 3.871114 0.85558631 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 28664-35-9 62835 144212817 Z F 4,5-Dimethyl-3-hydroxy-2,5-dihydrofuran-2-one O=C1OC(C)C(C)=C1O Tox21_302500 -NCGC00257091-01 196727247 tox21-ror-cho-viability-p1 set3 4 -1.42590433 1.35843701 2.82375753 -1.38604152 0.10976896 1.30625925 1.0483971 1.63221899 0.05466513 -0.22880006 1.00302758 -0.64027853 0.46170547 -0.86195708 1.58661198 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 541-05-9 10914 144213550 Fns Hexamethylcyclotrisiloxane C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1 Tox21_303233 -NCGC00260349-01 196712034 tox21-ror-cho-viability-p1 set2 4 1.85313376 0.35818182 0.15970511 -0.4521831 -0.53048188 0.13028037 1.79773016 1.36693261 1.88491252 0.74007045 0.64503315 -0.17173683 -0.68395336 -5.28666091 2.01359784 1.1839999999E-9 2.648E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.619E-8 1.4799999999E-7 3.309E-7 7.4E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.0000925 13820-41-2 144210001 A Ammonium tetrachloroplatinate(II) [NH4+].[NH4+].[Cl-][Pt+2]([Cl-])([Cl-])[Cl-] Tox21_202803 -NCGC00260065-01 196712017 tox21-ror-cho-viability-p1 set2 4 -3.92278758 -4.64551766 -4.26144552 -7.23347606 -0.62829386 -5.86902181 -0.67575001 -12.98083898 -7.54906989 -10.65392242 -4.43559946 -9.71988172 0 -8.59541912 -27.2556913 5.932E-10 1.3259999999E-9 2.966E-9 6.6319999999E-9 1.483E-8 3.316E-8 7.4149999999E-8 1.658E-7 3.708E-7 8.2909999999E-7 0.000001854 0.0000041449999999 0.000009269 0.00002073 0.00004635 90045-36-6 144209714 ND Ginkgo biloba extract Tox21_202516 -NCGC00260621-01 196712019 tox21-ror-cho-viability-p1 set2 4 29.8492948118 28.0582906599 -7.5582906599 20.5 3.2974983358 0.6171339115 0.0849251791 -7.37564018 -4.9106498 -7.23488779 -5.06840658 -8.20106741 -12.67099106 -5.73361694 -9.40493344 -21.29857555 -7.64107006 -1.54176779 -1.28650281 -6.72458699 -1.34464473 15.07097053 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49517 144210274 M M NTP Mix97 ER1 10-EQC Tox21_203076 -NCGC00260269-01 196712032 tox21-ror-cho-viability-p1 set2 4 -0.59366462 0.85296846 -8.16745925 0.0731487 -1.44143274 -9.96840507 -9.88631627 -8.05866956 0 -7.49243492 -15.08034293 0 0 -10.72131038 -24.48850266 1.281E-9 2.8639999999E-9 6.404E-9 1.4319999999E-8 3.202E-8 7.1599999999E-8 1.6009999999E-7 3.5799999999E-7 8.005E-7 0.00000179 0.000004003 0.0000089499999999 0.00002001 0.00004475 0.0001001 112-71-0 8208 144209919 F Fns 1-Bromotetradecane BrCCCCCCCCCCCCCC Tox21_202721 -NCGC00357110-01 196712430 tox21-ror-cho-viability-p1 set2 -2.1 61.130564862 -102.8970102028 -2.3011128319 -105.1981230347 3.5722481694 0.9609329923 0.0000021469 1.86597905 -0.43350981 -0.68109055 -2.05817037 -1.42158208 -1.37557981 2.06494937 -14.92194146 -2.69642189 1.75203433 0.01303835 -7.76727191 -7.7037724 -22.56075782 -85.94617895 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13080-86-9 83119 251919861 A 4,4'-(Isopropylidenebis(4,1-phenyleneoxy))dianiline Nc1ccc(cc1)Oc2ccc(cc2)C(C)(C)c3ccc(cc3)Oc4ccc(N)cc4 Tox21_303839 -NCGC00260674-01 196712433 tox21-ror-cho-viability-p1 set2 4 0.0238723854 -5.366395172 -4.232453416 -9.598848588 4.9549173134 0.374782862 0.2973210798 -2.86478705 -2.94532948 -3.41274678 -4.73190893 -7.04703217 -3.53742737 -5.94814957 -4.14596729 -10.85346262 -16.74904049 -3.34862646 -12.07773644 -9.41006695 -2.69371118 -11.96720163 6.53E-11 1.4599999999E-10 3.265E-10 7.301E-10 1.632E-9 3.65E-9 8.162E-9 1.8249999999E-8 4.081E-8 9.1259999999E-8 2.0409999999E-7 4.563E-7 0.00000102 0.000002281 0.000005101 6289-46-9 94866 144209950 Fns Dimethyl succinylsuccinate COC(=O)C1CC(=O)C(CC1=O)C(=O)OC Tox21_202752 -NCGC00260477-01 196712438 tox21-ror-cho-viability-p1 set2 4 2.9284384 3.31845307 5.28700049 6.15300642 5.10139486 7.71133586 6.61712957 7.58736633 6.92814034 7.97015916 9.28657303 7.0499565 4.29901951 5.42933978 0.76302767 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004124 0.00009223 56-05-3 65522 144210129 A A 2-Amino-4,6-dichloropyrimidine Clc1cc(Cl)nc(N)n1 Tox21_202931 -NCGC00023643-15 196712854 tox21-ror-cho-viability-p1 set2 4 4.93331324 6.23278131 3.63861687 4.5768882 3.9581922 5.28031957 2.39096832 2.13995328 3.65917211 2.35535987 2.99367062 -0.23043446 -0.29330803 -0.91019736 -0.75525783 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53-16-7 5870 170465020 A Estrone Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)C(=O)CC[C@@H]12)c4cc3 Tox21_113567_1 -NCGC00015196-09 196712857 tox21-ror-cho-viability-p1 set2 4 23.7101376556 9.46666504 -2.96666504 6.5 3.9899729863 0.5214127564 0.1616276208 -1.41825869 -3.39244957 -2.86401394 -1.98658111 -1.51214659 -5.29783551 -4.94839856 -5.48147585 1.35363762 0.35125999 -4.04492369 -7.0555542 -5.073561 0.66048953 5.63519332 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59939-16-1 2765 170466314 A Cirazoline O(CC1=NCCN1)c2ccccc2C3CC3 Tox21_110095_1 -NCGC00256145-01 196710386 tox21-ror-cho-viability-p1 set2 4 1.86997183 1.28979642 0.44969257 0.45155066 1.17283491 -0.44232284 3.52761315 3.31036815 3.17689484 3.6234508 3.2663389 0.31527133 2.89011728 1.57998611 -0.99988793 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 335104-84-2 11556911 144212699 A A Tembotrione O=C2CCCC(=O)C2C(=O)c1ccc(c(COCC(F)(F)F)c1Cl)S(C)(=O)=O Tox21_302382 -NCGC00255883-01 196709979 tox21-ror-cho-viability-p1 set2 4 6.97664183 -0.35564027 0.17657117 -1.07849419 1.91637765 -0.324824 1.11591672 -1.42175724 1.3695256 0.9739935 -0.96767946 -0.09886642 -1.04257501 1.47411825 -0.52862119 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4849-32-5 312440 144212065 A A Karbutilate O=C(Oc1cccc(c1)NC(=O)N(C)C)NC(C)(C)C Tox21_301748 -NCGC00090965-04 196710370 tox21-ror-cho-viability-p1 set2 4 3.77718553 -0.12217864 2.85085278 0.13525196 1.76978779 -0.9200314 0.76387504 -0.30026058 2.61954782 2.58596012 2.6033907 0.43659572 0.12928628 2.27957817 -2.19930891 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00256272-01 196710383 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -74.5299415885 1.3359607039 -73.1939808846 4.9549173134 0.9703069182 4.581E-7 0.37365018 4.77711758 2.32007714 1.96654618 7.35945575 3.79027324 -0.0858088 1.65058344 -0.5496773 -0.24438684 0 -0.0251935 -4.73725847 -3.51721428 -59.28093721 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66072-38-6 4320947 144211970 F F 2,2',2''-[Methanetriyltris(benzene-4,1-diyloxymethanediyl)]trioxirane c2cc(OCC1CO1)ccc2C(c4ccc(OCC3CO3)cc4)c6ccc(OCC5CO5)cc6 Tox21_301653 -NCGC00260479-01 196703120 tox21-ror-cho-viability-p1 set1 -2.4 69.0781761974 -31.081682856 1 -30.081682856 4.5044702849 0.8869902621 0.000592661 2.40884651 -2.29452008 1.5836592 3.04103358 1.27289857 -1.6219293 3.464146 3.77839675 3.76765372 0.80953299 -0.32386505 -2.82273433 -1.83878981 -1.52573989 -23.40140238 1.187E-9 2.6549999999E-9 5.936E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.318E-7 7.42E-7 0.000001659 0.0000037099999999 0.0000082959999999 0.00001855 0.000041479999999 0.000092749999999 573-17-1 11309 144210131 A A 9-Bromophenanthrene Brc2cc3ccccc3c1ccccc12 Tox21_202933 -NCGC00260454-01 196703118 tox21-ror-cho-viability-p1 set1 4 4.3717604185 -5.0526320839 0 -5.0526320839 4.9549173134 0.3655692185 0.3067974809 1.65393657 1.41223598 -0.10348362 -6.10524371 -0.31846566 1.08606159 0.36674999 0.77236376 -0.07403692 1.26591351 -0.21501543 -10.04386007 -1.06249293 -0.26439806 -9.79192828 1.19E-9 2.6619999999E-9 5.9519999999E-9 1.331E-8 2.976E-8 6.654E-8 1.4879999999E-7 3.3269999999E-7 7.44E-7 0.0000016639999999 0.00000372 0.0000083179999999 0.0000186 0.00004159 0.000093 2693-46-1 17599 144210106 A A 3-Aminofluoranthene Nc4ccc2c1ccccc1c3cccc4c23 Tox21_202908 -NCGC00260541-01 196703123 tox21-ror-cho-viability-p1 set1 4 1.32316062 1.17398911 4.66841655 -1.07989238 -2.64758848 4.2340609 -1.8271007 -2.0881234 -2.45146479 -0.86503895 2.78402053 0.93759203 3.88022515 1.67089554 0.08528008 6.589E-11 1.473E-10 3.2939999999E-10 7.366E-10 1.647E-9 3.6829999999E-9 8.236E-9 1.842E-8 4.118E-8 9.2079999999E-8 2.0589999999E-7 4.6039999999E-7 0.0000010289999999 0.000002302 0.000005147 137-16-6 23668817 144210194 F Sodium [dodecanoyl(methyl)amino]acetate [Na+].O=C(CCCCCCCCCCC)N(C)CC([O-])=O Tox21_202996 -NCGC00357209-01 196703129 tox21-ror-cho-viability-p1 set1 4 48.5577336745 -12.759183188 -1.5 -14.259183188 2.3331733767 0.4841806051 0.193876198 1.43479634 -3.47166158 -1.45830332 -0.16385304 1.06659948 -1.55055913 -4.5599158 3.23161717 -8.82426498 -3.87326431 -0.45082342 0.42645597 -0.12550532 -7.83718275 -11.46598599 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 635-22-3 12477 251919933 A 4-Chloro-3-nitroaniline O=[N+]([O-])c1cc(N)ccc1Cl Tox21_303987 -NCGC00091632-02 196703136 tox21-ror-cho-viability-p1 set1 4 38.5707788719 -7.6450957479 1 -6.6450957479 2.4063783767 0.5168625241 0.1666910015 3.09514465 0.57061074 -1.90514478 -2.00733268 0.33311527 1.26422982 0.17932282 0.60281685 0.99809805 2.15369416 5.69521905 -0.10800133 2.02732828 -4.34041509 -5.53757979 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00260419-01 196703139 tox21-ror-cho-viability-p1 set1 4 0.68518307 -2.23901858 1.30999813 -0.74207365 0.25537001 -0.2376734 3.16721755 -2.11712216 1.96836664 0.53796943 3.29446432 -9.6624514 3.49016134 2.65700085 3.55956391 1.188E-9 2.6549999999E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 818-72-4 13166 144210071 A A 1-Octyn-3-ol C#CC(O)CCCCC Tox21_202873 -NCGC00260037-01 196703951 tox21-ror-cho-viability-p1 set1 -2.1 54.4272718766 -104.2080596119 -2.387360212 -106.5954198239 3.1319983358 0.9837877009 1.4E-8 0.0440856 -2.03518094 -6.33252534 -0.07845036 -5.53730814 -6.71417394 -0.44180338 -6.91240236 -2.34732994 -1.51324699 -0.49986155 -0.9676981 -0.66467269 -36.35263574 -88.82951652 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.295E-7 7.367E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.000041179999999 0.00009209 121-54-0 8478 144209686 A A Benzethonium chloride [Cl-].CC(C)(C)CC(C)(C)c2ccc(OCCOCC[N+](C)(C)Cc1ccccc1)cc2 Tox21_202488 -NCGC00260254-01 196703955 tox21-ror-cho-viability-p1 set1 4 2.44449646 9.78817939 8.11016021 3.5874937 0.63927319 5.46606065 4.60530049 10.6397507 10.05578951 4.24128439 8.94274726 4.30468383 1.56666854 8.89263429 13.01283816 1.171E-9 2.618E-9 5.854E-9 1.3089999999E-8 2.927E-8 6.545E-8 1.464E-7 3.2729999999E-7 7.3179999999E-7 0.0000016359999999 0.0000036589999999 0.000008182 0.00001829 0.000040909999999 0.000091469999999 893443-18-0 60196393 144209904 A A 1-Ethyl-1-methylpyrrolidinium trifluoromethanesulfonate C[N+]1(CC)CCCC1.FC(F)(F)S([O-])(=O)=O Tox21_202706 -NCGC00258207-01 196701912 tox21-ror-cho-viability-p1 set1 4 0.0620019277 -7.0223724879 -8.013694164 -15.0360666519 3.9899729863 0.5280827747 0.1708440158 -9.72216515 -5.42807847 -8.07506156 -8.18163295 -8.60426146 -11.61039614 -17.05616852 -20.44672221 -6.84607576 -18.24595886 -17.2351428 -11.98059165 -15.58692585 -13.35153907 -5.63345684 1.194E-9 2.6689999999E-9 5.968E-9 1.3339999999E-8 2.9839999999E-8 6.672E-8 1.4919999999E-7 3.3359999999E-7 7.4599999999E-7 0.000001668 0.00000373 0.00000834 0.00001865 0.0000417 0.00009324 17026-81-2 28207 144207851 A A 3-Amino-4-ethoxyacetanilide CCOc1ccc(cc1N)NC(C)=O Tox21_200653 -NCGC00258349-01 196701894 tox21-ror-cho-viability-p1 set1 4 5.30038354 0.29209367 -2.25439846 1.69644051 -1.21987097 3.13165408 -0.22899249 -1.59579517 5.87159549 4.9698791 3.32136529 3.54471109 1.19513456 0.79930294 2.74051499 1.158E-9 2.5879999999E-9 5.7879999999E-9 1.2939999999E-8 2.894E-8 6.471E-8 1.447E-7 3.2359999999E-7 7.235E-7 0.000001618 0.000003618 0.000008089 0.000018089999999 0.00004045 0.00009044 107-40-4 7869 144207993 FNS 2,4,4-Trimethyl-2-pentene C\C(C)=C/C(C)(C)C Tox21_200795 -NCGC00090698-04 196701902 tox21-ror-cho-viability-p1 set1 4 3.97970068 0.98216534 0.98287373 6.41685257 1.49324781 2.95883754 -1.16179714 5.5396185 2.84502477 11.4702252 0.57470338 1.29965594 4.77317365 2.37768946 4.16494636 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00258375-01 196701906 tox21-ror-cho-viability-p1 set1 4 3.1E-9 -88.51636488 -86.10634179 -74.20768907 -42.7291306 -19.82249081 -11.80460346 -7.1403106 -0.60664952 -6.60271291 -1.25556599 -7.27770726 2.35056747 2.39317798 2.98459998 4.80826746 1.191E-9 2.663E-9 5.956E-9 1.332E-8 2.978E-8 6.6579999999E-8 1.489E-7 3.3289999999E-7 7.4439999999E-7 0.000001665 0.0000037219999999 0.000008323 0.00001861 0.00004162 0.00009306 612-23-7 11921 144208019 D 2-Nitrobenzyl chloride O=[N+]([O-])c1ccccc1CCl Tox21_200821 -NCGC00160537-04 196703897 tox21-ror-cho-viability-p1 set1 4 -9.4969504 -5.99570709 -9.24253914 5.08859368 -13.50333814 -2.92003451 -13.69792621 -2.1965664 -9.24140614 -10.71167508 -7.17381405 -6.59216574 -14.37354656 -17.92399178 -9.42584715 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00357242-01 196703075 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -15.035010472 0 -15.035010472 4.5044702849 0.8238474989 0.0047365697 -0.70983595 0.49502423 -1.15315592 -0.25311736 -1.29751533 -0.69481906 0.86456047 0.07977996 -0.08065343 0.3773672 -1.51262395 4.41420622 -0.64014207 -1.38959005 -11.69584206 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 603-36-1 11777 251919914 A Triphenylstibine c1ccccc1[Sb](c2ccccc2)c3ccccc3 Tox21_304035 -NCGC00357149-01 196703493 tox21-ror-cho-viability-p1 set1 4 2.48527095 0.77157112 3.37710068 -2.55235559 -5.58226455 0.71027969 -2.97835495 2.42280151 0.90508438 -2.68835075 3.46216079 5.05983617 1.45488162 -0.20925805 -0.41740405 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1672-46-4 15478 251919877 A Digoxigenin O[C@]54CC[C@H](C1=CC(=O)OC1)[C@@]5(C)[C@H](O)C[C@H]3[C@H]4CC[C@@H]2C[C@@H](O)CC[C@@]23C Tox21_303893 -NCGC00091586-02 196703896 tox21-ror-cho-viability-p1 set1 4 0.0018294001 -19.805855296 15.5 -4.305855296 2.6384283767 0.5976919272 0.1130377847 11.19129877 1.21559985 0.13390821 -11.92154608 -3.17603404 -8.47153149 -0.00585494 -5.47603607 -1.97703042 -3.24062982 -2.27871983 -1.72241301 -8.64619309 -1.09576085 -13.12417567 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00357068-01 196703907 tox21-ror-cho-viability-p1 set1 4 17.2289340586 13.9327212599 -8.9327212599 5 0.6 0.4858855376 0.1917650131 -10.72445229 -7.62783693 -7.60620428 -15.36060105 -5.47626208 -5.6956429 -2.64942788 -11.69942057 -11.60007663 -0.62331355 -4.76140229 -6.20399255 -1.51475304 -1.2289593 2.80599681 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-08-0 7976 251919820 Ac 2-Methylpyrazine Cc1cnccn1 Tox21_303776 -NCGC00260133-01 196703911 tox21-ror-cho-viability-p1 set1 4 34.1192270159 -11.15502392 1 -10.15502392 4.0949729863 0.3465698946 0.3251492836 -0.78793017 3.92062513 1.14456656 1.27495562 -2.3764944 0.12095729 5.70807575 -0.47592249 3.77834203 -1.20160888 -0.97252645 8.14139214 -3.60496981 0.06027554 -7.6291866 5.9909999999E-10 1.34E-9 2.9949999999E-9 6.698E-9 1.498E-8 3.349E-8 7.4879999999E-8 1.6739999999E-7 3.744E-7 8.372E-7 0.000001872 0.0000041859999999 0.0000093599999999 0.000020929999999 0.000046799999999 531-85-1 10754 144209782 A A Benzidine dihydrochloride Cl.Cl.Nc1ccc(cc1)c2ccc(N)cc2 Tox21_202584 -NCGC00357118-01 196703920 tox21-ror-cho-viability-p1 set1 -2.4 54.4826732819 -25.2713432 -2 -27.2713432 2.7202212143 0.8078965168 0.0067425735 -4.27393695 0.30575095 -1.15343493 1.17734079 -0.59063647 -5.130608 -7.2910277 -3.11727553 1.93664116 -3.41936043 -3.95299924 0.81345362 -0.81824136 -11.22470079 -21.892786 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 178928-70-6 6451142 251919726 A Prothioconazole S=C3N=CNN3CC(O)(Cc1ccccc1Cl)C2(Cl)CC2 Tox21_303849 -NCGC00024930-03 196704316 tox21-ror-cho-viability-p1 set1 4 1.17766343 1.41871731 0.48568705 0.27630956 2.15767513 4.02741494 -4.04659874 1.0184317 1.50233437 -1.25742548 -2.13311698 -2.42230947 -3.19647963 1.10762924 -3.54945017 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69-27-2 6243 170466099 F Chlorisondamine chloride [Cl-].[Cl-].C[N+](C)(C)CC[N+]1(C)Cc2c(Cl)c(Cl)c(Cl)c(Cl)c2C1 Tox21_112032_1 -NCGC00160660-02 196704328 tox21-ror-cho-viability-p1 set1 4 0.0007497804 -12.5 14 1.5 3.9899729863 0.6461144547 0.0680011247 10.64904175 2.37836873 3.81765598 0.44875018 0.32465471 1.47609334 0.8554445 5.52518499 1.75845805 0.10844375 4.8935768 0.08865934 1.17161877 1.28656849 0.5968835 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 76894-77-4 53555 170466629 A Dazmegrel O=C(O)CCn3c1ccccc1c(Cn2ccnc2)c3C Tox21_111966_1 -NCGC00255457-01 196701444 tox21-ror-cho-viability-p1 set1 4 4.00058101 -0.25102509 0.24193381 5.46558962 3.53064514 -6.65837374 -0.0927905 0.2123381 -5.37750566 5.42943172 -2.11566778 6.38632208 1.04770817 5.57562249 -5.05557425 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5104-49-4 3394 144212670 A A Flurbiprofen Fc2cc(ccc2c1ccccc1)C(C)C(=O)O Tox21_302353 -NCGC00256215-01 196701029 tox21-ror-cho-viability-p1 set1 4 1.0464161 -0.64347757 0.31719116 1.31320411 -6.49277355 -0.67840444 1.49077191 0.26670053 0.48653028 0.77204554 0.27972162 1.40909666 -1.0304601 2.69007105 -0.5593381 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5943-30-6 94314 144212264 A F Dibutan-2-yl disulfide CC(CC)SSC(C)CC Tox21_301947 -NCGC00091011-05 196701031 tox21-ror-cho-viability-p1 set1 4 -1.00091587 -0.80473461 -1.47237198 -0.15664314 8.08501326 2.8988498 3.67506108 5.76917894 3.77983305 3.09951981 -0.37491795 -1.03339954 -0.47318749 -0.40198676 3.54700197 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00256202-01 196701437 tox21-ror-cho-viability-p1 set1 4 0.7971341 0.81995611 -0.51814089 0.33724077 -0.98699185 1.83390209 2.37493544 -8.52474862 -1.1324798 -1.45791263 -1.04006921 -0.2258304 -0.29523596 1.98229001 1.89583016 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3010-96-6 76382 144211931 A I 2,2,4,4-Tetramethylcyclobutane-1,3-diol CC1(C)C(O)C(C)(C)C1O Tox21_301614 -NCGC00258772-01 196730508 tox21-ror-cho-viability-p1 set3 4 0.00401046 -2.41568922 2.90345111 -2.35350603 0.83811488 0.021124 -1.62762674 -2.40954034 -0.765012 -0.10945336 1.3603779 2.78397842 0.71453388 1.99118831 5.59887152 1.196E-9 2.6749999999E-9 5.981E-9 1.337E-8 2.9899999999E-8 6.6869999999E-8 1.4949999999E-7 3.3429999999E-7 7.476E-7 0.0000016719999999 0.0000037379999999 0.0000083589999999 0.00001869 0.00004179 0.00009345 2743-38-6 75969 144208418 A A Dibenzoyl-L-tartaric acid O=C(O)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c2ccccc2)C(=O)O Tox21_201220 -NCGC00257611-01 196730512 tox21-ror-cho-viability-p1 set3 4 0.2483233139 15.974214992 -18.474214992 -2.5 4.9549173134 0.5658370177 0.1224370535 -1.99259361 -12.26798184 -22.21399372 -19.33711704 -23.21820595 -26.64517916 -25.25816449 -1.71302384 -2.44003311 0 -0.64401602 -15.85950681 -1.28387425 -1.64637843 0.44393622 1.1999999999E-9 2.684E-9 6.002E-9 1.3419999999E-8 3.0009999999E-8 6.71E-8 1.5E-7 3.355E-7 7.5019999999E-7 0.000001677 0.0000037509999999 0.000008387 0.00001875 0.000041939999999 0.000093769999999 79-20-9 6584 144207255 AC Ac Methyl acetate CC(=O)OC Tox21_200057 -NCGC00255989-01 196728105 tox21-ror-cho-viability-p1 set3 4 2.34026744 -3.53852531 -0.00663903 -1.81648141 2.86985193 -6.39139219 8.27472196 6.00172467 2.47421599 -5.74760393 7.2097416 0.54460508 9.70052702 -7.16442537 -3.8575547 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-13-6 7219 144211532 F Fns Indene c1cccc2CC=Cc12 Tox21_301215 -NCGC00016000-13 196728091 tox21-ror-cho-viability-p1 set3 -2.1 31.355862613 -116.1383607276 12.7811378076 -103.35722292 0.5 0.7870881105 0.0102706607 -0.85819282 10.58942687 20.37846263 14.80889636 14.52780478 14.52508929 11.25759615 -6.49147595 -7.70015298 -21.82058276 -20.24959635 -22.20681573 -33.6974709 -19.29198086 -86.1310191 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00255667-01 196728093 tox21-ror-cho-viability-p1 set3 4 0.0121971512 13.0413433199 -0.5413433199 12.5 1.8851180601 0.5695577125 0.1350447381 2.35156093 -2.1177861 0.98120793 7.65781839 12.1745985 8.9472316 16.49813971 11.34130902 4.97588725 5.31004883 18.81070473 10.9728388 13.64575188 18.98488911 7.21695627 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 827-21-4 23677979 144212083 A A Sodium m-xylene-4-sulfonate [Na+].Cc1cc(C)ccc1S(=O)([O-])=O Tox21_301766 -NCGC00255830-01 196728096 tox21-ror-cho-viability-p1 set3 4 2.7306020303 -4.8749200399 3.5 -1.3749200399 3.9899729863 0.4839400373 0.1954949918 0.47579755 4.35816861 9.34810522 -0.07196353 2.00454905 2.40382448 6.39262013 3.16264096 3.74646129 2.88129696 0.06455665 -2.3957667 -2.12172528 -0.11410794 -0.37087563 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-45-4 5356010 144212486 A A Dimethylglyoxime C/C(=N\O)C(\C)=N\O Tox21_302169 -NCGC00091586-02 196714098 tox21-ror-cho-viability-p1 set2 4 1.82915182 0.11253449 0.10665072 1.05492565 0.54298334 1.93978495 0.4302748 -0.33204868 2.1550294 2.40998444 0.81631385 1.09678457 1.71730825 1.73016863 0.31098716 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00255018-01 196714105 tox21-ror-cho-viability-p1 set2 4 -1.84612818 0.57131736 1.07125145 0.72120835 1.4309246 0.03678951 0.22691256 0.1556266 1.91846667 -0.06288948 -0.59523628 4.65733727 4.23510731 1.08865821 3.70542072 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 16752-77-5 4109 144211435 A A Methomyl C\C(=N\OC(=O)NC)SC Tox21_301118 -NCGC00357229-01 196711621 tox21-ror-cho-viability-p1 set2 4 0.0968854161 8.5 2 10.5 0.9999999999 0.7080260727 0.0349975136 5.19602257 0.68760757 1.32441296 1.23466904 4.50606759 7.79288722 4.87567128 9.19836508 12.14976474 9.26481834 6.62370689 7.7624348 9.53164738 12.62250233 13.23139898 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7492-66-2 5365794 251919676 F Citral diethyl acetal CCOC(/C=C(\C)CC\C=C(/C)C)OCC Tox21_304016 -NCGC00356948-01 196711222 tox21-ror-cho-viability-p1 set2 4 0.36416072 -8.79761401 -0.29340095 -7.6521621 -0.18897273 -10.68220759 -1.57505461 -8.56498272 -9.77270162 -13.96757102 -8.98663734 -13.02534235 0 -13.93038707 -9.62069337 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 54686-97-4 6850837 251919834 A Bis(p-methylbenzylidene)sorbitol OC[C@@H](O)[C@H]1OC(O[C@H]2COC(O[C@@H]12)c3ccc(C)cc3)c4ccc(C)cc4 Tox21_303848 -NCGC00260159-01 196711226 tox21-ror-cho-viability-p1 set2 4 0.1933118196 -11.1909436799 2.5 -8.6909436799 4.9549173134 0.3871627493 0.300151852 3.68697292 2.74543508 -0.12633624 2.58183268 4.30220187 -0.05554843 2.93961412 -19.46262825 -1.69328068 -3.04653455 -21.8257864 -17.12399774 2.76095127 -1.95802719 10.78949252 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 8052-41-3 144209809 ND Stoddard solvent Tox21_202611 -NCGC00257625-01 196711618 tox21-ror-cho-viability-p1 set2 -2.1 69.2178691585 -104.8420101382 -4.4741184989 -109.3161286371 4.0449729863 0.9301882857 0.0000506116 -2.72178346 -3.45416056 -6.21978497 -4.4667047 -7.23065832 -21.17282602 -1.84962718 0 0 0 -11.23167292 0 0 -16.52219374 -84.74118499 1.189E-9 2.6589999999E-9 5.945E-9 1.3289999999E-8 2.9719999999E-8 6.647E-8 1.486E-7 3.323E-7 7.4309999999E-7 0.000001662 0.000003716 0.0000083079999999 0.000018579999999 0.00004154 0.00009289 434-07-1 5281034 144207269 A A Oxymetholone O=C3C[C@@H]4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@]1(C)O)[C@@]4(C)C\C3=C\O Tox21_200071 -NCGC00357131-01 196711623 tox21-ror-cho-viability-p1 set2 4 30.6378586933 -21.91682682 -1 -22.91682682 4.9549173134 0.5428083867 0.1573247052 2.96319773 -0.97030911 4.09832847 1.92296457 -2.00167444 -1.77755155 -3.2892048 -14.39074499 3.41523276 -4.55606389 -2.30133459 3.58202618 -1.15978009 -20.76402235 15.09882116 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 526-73-8 10686 251919826 Ac 1,2,3-Trimethylbenzene Cc1cccc(C)c1C Tox21_303868 -NCGC00091602-02 196711644 tox21-ror-cho-viability-p1 set2 4 3.73050588 2.22969634 1.92539224 2.61888446 1.36591307 -0.18509757 3.08730932 5.32208789 6.14975353 5.69355707 6.31281222 6.60387623 6.99117019 5.94816368 6.5304175 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00260400-01 196712038 tox21-ror-cho-viability-p1 set2 -2.4 22.1761097005 -47.3483703259 -4 -51.3483703259 0.7999999999 0.3592222119 0.3261468313 -1.94366136 -5.66624429 -9.63565271 -1.14721541 -0.3754156 0 -28.84280876 -11.80585152 -4.35474566 -29.70025967 -0.76343146 0 -38.90028055 -36.96690409 -17.31496119 1.202E-9 2.688E-9 6.0109999999E-9 1.344E-8 3.005E-8 6.7199999999E-8 1.503E-7 3.36E-7 7.5129999999E-7 0.0000016799999999 0.0000037569999999 0.0000084 0.00001878 0.000042 0.00009392 60-82-2 4788 144210052 A A Phloretin O=C(CCc1ccc(O)cc1)c2c(O)cc(O)cc2O Tox21_202854 -NCGC00166237-02 196712453 tox21-ror-cho-viability-p1 set2 4 -0.701014 2.42261596 0.30884967 -2.40545915 3.10114049 0.87854367 1.75261235 2.93406109 -1.70245228 0.07241434 2.72746515 1.29226447 1.37542766 -1.72612884 2.95416619 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6968-72-5 71668 170466648 Z Mepiroxol [O-][n+]1cccc(CO)c1 Tox21_112363_1 -NCGC00090955-06 196712458 tox21-ror-cho-viability-p1 set2 4 2.6603212004 6.3302976799 -0.3302976799 6 4.9549173134 0.5528151098 0.1345151312 1.06869357 -2.3585814 -1.89700142 0.46975026 -1.32727769 0.97333465 -0.20379422 -1.00841923 -0.22578546 1.29679091 -1.76762548 9.67258706 1.73024086 2.0604838 9.80927933 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 101-83-7 7582 170466864 A Dicyclohexylamine C1CCCCC1NC2CCCCC2 Tox21_111044_1 -NCGC00167769-04 196712461 tox21-ror-cho-viability-p1 set2 4 -4.03835242 -4.3588504 -1.79416097 -3.42701249 -4.02795203 -2.18589712 -0.23768144 -1.28621191 0.43284942 -0.66519889 0.3904391 -2.60728624 -0.26591126 -1.81714887 -5.5453655 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 28094-15-7 160157 170466239 Z Oxidopamine hydrochloride Cl.Oc1cc(CCN)c(O)cc1O Tox21_111324_1 -NCGC00016872-12 196712464 tox21-ror-cho-viability-p1 set2 4 -4.0507751 -4.92473711 -6.60263134 -3.55058109 -6.9389811 -2.72648034 -2.51902372 -0.80493363 -2.11649455 -1.71065611 0.17520559 -0.59407516 -1.13344652 -3.99645146 -4.33680601 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55142-85-3 5472 170464698 A Ticlopidine hydrochloride Clc3ccccc3CN1CCc2sccc2C1 Tox21_110658_1 -NCGC00257815-01 196702741 tox21-ror-cho-viability-p1 set1 4 0.20962685 2.7051917 0.4304958 6.02471635 0.11062193 1.84082396 1.09099672 2.60237913 6.12715891 3.06000752 6.92344784 3.05233749 1.98879859 1.95691563 3.24940524 1.204E-9 2.693E-9 6.0219999999E-9 1.346E-8 3.011E-8 6.732E-8 1.5049999999E-7 3.366E-7 7.527E-7 0.000001683 0.0000037639999999 0.0000084149999999 0.00001882 0.00004208 0.00009409 121057-90-7 23082568 144207459 A A 1-Ethyl-1-methylpyrrolidinium hexafluorophosphate F[P-](F)(F)(F)(F)F.C[N+]1(CC)CCCC1 Tox21_200261 -NCGC00090698-04 196705220 tox21-ror-cho-viability-p1 set1 4 -3.83160747 -0.17821377 -0.29898079 -3.52930161 -0.53338401 -16.9329298 0.66500339 -0.02137199 0.38850787 0.17612732 -0.36966478 -7.74065478 0.11352285 -3.70083728 0.18235326 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00260352-01 196703150 tox21-ror-cho-viability-p1 set1 4 1.64747311 2.60404802 3.4756486 3.23724525 1.12541607 -0.06076384 4.57956366 0.00383705 -5.99574711 1.83531926 3.49335938 0.15221238 7.35516518 0.18871377 1.68290962 1.187E-9 2.654E-9 5.9329999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.4829999999E-7 3.317E-7 7.417E-7 0.0000016579999999 0.000003708 0.000008292 0.00001854 0.00004146 0.000092709999999 14897-39-3 23702994 144210004 F Rifamycin SV sodium salt [Na+].CC(=O)O[C@@H]4[C@H](C)[C@@H](OC)C=CO[C@@]3(C)Oc2c(C)c(O)c1c(O)c(cc([O-])c1c2C3=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@H]4C Tox21_202806 -NCGC00258145-01 196702733 tox21-ror-cho-viability-p1 set1 4 2.41092849 -0.19704055 0.86817782 4.25619592 1.2297878 4.36639088 -0.15659229 0.00364886 1.95157163 0.88060682 0.32023492 0.90459287 9.62001719 3.59287216 6.63906653 1.229E-9 2.7469999999E-9 6.143E-9 1.374E-8 3.071E-8 6.868E-8 1.5359999999E-7 3.4339999999E-7 7.678E-7 0.000001717 0.000003839 0.000008584 0.0000192 0.00004292 0.00009598 344790-87-0 11424151 144207789 A A 1-Butyl-3-methylimidazolium thiocyanate CCCCn1cc[n+](C)c1.[S-]C#N Tox21_200591 -NCGC00160537-04 196703146 tox21-ror-cho-viability-p1 set1 4 61.130564862 -13.56233984 0.5 -13.06233984 2.4729283767 0.4558707602 0.2202455394 -1.01983349 1.54954756 -0.28056692 -2.00186948 0.77503123 0.9745058 6.60531107 1.65259479 -5.52097909 5.15141465 -0.63770773 3.16293319 -2.75542027 -2.1240132 -9.6352832 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00260168-01 196703152 tox21-ror-cho-viability-p1 set1 4 1.49954728 2.89421148 4.3538978 -1.24515771 1.75714321 -1.08126496 -0.16567107 3.71817254 -2.15473884 3.29838014 -2.75194648 -0.81136677 4.85910677 3.72893364 -2.523059 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 359845-21-9 11674455 144209818 A 1-Butyl-3-methylimidazolium tetrachloroferrate (III) CCCCn1cc[n+](C)c1.Cl[Fe-](Cl)(Cl)Cl Tox21_202620 -NCGC00260471-01 196703155 tox21-ror-cho-viability-p1 set1 4 216.6788720776 -30.999559312 7.5 -23.499559312 0.2 0.3550656529 0.3151032935 2.36335473 10.01802043 1.38993061 4.74970593 1.39538957 -1.75675609 3.23076782 4.35489473 -0.93940313 -0.39982672 3.3017784 -16.24963276 0.96125728 0.61263331 -11.1588836 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 5401-94-5 21501 144210123 A A 5-Nitroindazole [O-][N+](=O)c1cc2cnnc2cc1 Tox21_202925 -NCGC00357111-01 196703567 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -12.813754128 -1 -13.813754128 4.9549173134 0.4955383519 0.184227697 -0.08955444 -0.00444755 2.67850321 2.27684712 -0.35818569 -4.34892177 2.07741392 -0.4197262 -0.29837781 -6.06727177 -3.0122981 0.01884705 -4.08086932 0.01590593 -10.67812844 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6174-86-3 5355079 251919981 A 3-chloro-7-hydroxy-4-methyl-2-benzopyrone Oc1ccc2c(c1)OC(=O)C(Cl)=C2C Tox21_303840 -NCGC00260589-01 196703576 tox21-ror-cho-viability-p1 set1 4 -6.23826783 0.49220929 0.91369242 -1.16239996 2.06350678 -13.08487364 5.16014968 7.62429989 -1.49371923 0.90432442 -5.4150397 -0.04333317 0.85683413 7.31886058 -5.54070751 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49485 144210242 M M NTP Mix46 CT1 3-EQP Tox21_203044 -NCGC00260476-01 196703583 tox21-ror-cho-viability-p1 set1 4 1.24548148 0.19806811 4.04232533 2.74195173 -0.58639118 3.87973079 1.6677651 2.26156925 1.21376961 -1.17971521 1.35509434 -1.78242021 1.08391513 3.08170421 -1.43471182 1.1859999999E-9 2.6519999999E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001853 0.000041439999999 0.000092669999999 555-16-8 541 144210128 A A 4-Nitrobenzaldehyde O=[N+]([O-])c1ccc(C=O)cc1 Tox21_202930 -NCGC00260326-01 196703974 tox21-ror-cho-viability-p1 set1 -2.3 5.2747023106 -112.9935284159 1.7044065479 -111.289121868 0.8999999999 0.9825425819 0.2735424476 3.88323398 0.06597755 3.98165654 0.28094864 5.21499963 -2.44636234 -0.87968168 -1.03560933 1.01848937 -9.83705681 -22.35528656 -36.43681361 -44.81429784 5.64734408 -92.74093489 2.998E-10 6.704E-10 1.4989999999E-9 3.3519999999E-9 7.496E-9 1.676E-8 3.7479999999E-8 8.38E-8 1.874E-7 4.19E-7 9.37E-7 0.000002095 0.0000046849999999 0.00001048 0.00002342 137-29-1 472181 144209978 Fc Copper dimethyldithiocarbamate [Cu+2].S=C([S-])N(C)C.CN(C)C([S-])=S Tox21_202780 -NCGC00260367-01 196703994 tox21-ror-cho-viability-p1 set1 4 1.86012815 2.03580087 0.64323475 -1.57311806 -3.71914645 -7.70667679 -4.16055583 -2.90335982 -4.50920934 -7.20819893 -1.0925673 -5.2549293 -3.89921319 -3.31674259 -0.14850913 1.194E-9 2.671E-9 5.972E-9 1.335E-8 2.986E-8 6.677E-8 1.493E-7 3.3389999999E-7 7.465E-7 0.000001669 0.000003733 0.000008347 0.00001866 0.000041729999999 0.00009332 326-06-7 67589 144210019 Z Z 4,4,4-Trifluoro-1-phenyl-1,3-butanedione O=C(CC(=O)C(F)(F)F)c1ccccc1 Tox21_202821 -NCGC00260590-01 196703525 tox21-ror-cho-viability-p1 set1 4 1.59537649 5.05642508 2.73515681 3.91360789 1.21418211 -7.54123637 -0.20089314 -7.39486192 -2.09356499 4.26613577 2.14410228 0.89169762 2.28158127 1.53392759 3.47402481 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49486 144210243 M M NTP Mix34 CT1 1-EQP Tox21_203045 -NCGC00258981-01 196705566 tox21-ror-cho-viability-p1 set1 4 7.20858812 2.85667622 4.27289968 0.22807529 -0.17836476 1.13248578 1.1584028 1.28819246 -14.14586696 1.03385123 -0.51214495 1.17034781 3.76549508 -0.01718009 -0.01864203 1.194E-9 2.6689999999E-9 5.969E-9 1.335E-8 2.985E-8 6.6739999999E-8 1.4919999999E-7 3.337E-7 7.4609999999E-7 0.000001668 0.0000037309999999 0.000008342 0.00001865 0.00004171 0.000093269999999 818-61-1 13165 144208628 A A 2-Hydroxyethyl acrylate C=CC(=O)OCCO Tox21_201430 -NCGC00259195-01 196705584 tox21-ror-cho-viability-p1 set1 4 0.0173691965 9.4783835199 -9.9783835199 -0.5 4.9549173134 0.338296403 0.3310097458 -7.48112342 -2.07028549 -19.5653196 -8.72279298 4.48586467 -1.09960505 -2.48452916 -10.88732645 6.00061754 0 4.26960892 -2.30067331 -3.82834357 -5.48137185 4.85772771 1.188E-9 2.656E-9 5.9389999999E-9 1.3279999999E-8 2.9699999999E-8 6.64E-8 1.4849999999E-7 3.32E-7 7.4239999999E-7 0.0000016599999999 0.000003712 0.0000083 0.00001856 0.0000415 0.000092799999999 77-86-1 6503 144208844 A A Tromethamine OCC(N)(CO)CO Tox21_201646 -NCGC00259438-01 196706398 tox21-ror-cho-viability-p1 set1 4 28.057484011 12.4667039719 -8.4667039719 4 4.9549173134 0.5374706925 0.1630152764 -9.21507303 -4.4082373 -3.85010387 -13.38239577 -5.86392992 -6.52351604 -8.69439817 -7.73657188 -10.84371253 -13.72225331 -7.74734093 -8.59952812 -6.7260699 3.23427956 -8.24471113 1.2069999999E-9 2.7E-9 6.0359999999E-9 1.3499999999E-8 3.0179999999E-8 6.7489999999E-8 1.509E-7 3.3739999999E-7 7.5449999999E-7 0.000001687 0.000003773 0.000008436 0.00001886 0.00004218 0.000094319999999 583-78-8 66 144209087 A A 2,5-Dichlorophenol Clc1ccc(Cl)c(O)c1 Tox21_201889 -NCGC00357054-01 196703096 tox21-ror-cho-viability-p1 set1 4 -0.95137967 0.81831269 -10.51227056 0.57543638 -5.26170478 -1.1557345 -8.62602843 0.5935443 -12.47695417 -1.10288515 -7.49628374 0.83083395 -1.21405018 -10.81472767 -1.74467856 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16867-04-2 28115 251919879 A 3-Hydroxy-2-pyridone OC1=CC=CNC1=O Tox21_303751 -NCGC00357089-01 196703513 tox21-ror-cho-viability-p1 set1 4 -2.61170437 -2.22539581 -3.99650831 -2.467102 -3.88401886 -1.61141911 -0.29409734 -0.01218633 -5.25182084 -5.05153668 -5.53416146 -1.27492247 -0.73462523 -6.14519219 -5.72821322 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1139-30-6 1742210 251919856 A (-)Carophyllene oxide C=C2CC[C@H]3O[C@]3(C)CC[C@@H]1[C@@H]2CC1(C)C Tox21_303807 -NCGC00260442-01 196703518 tox21-ror-cho-viability-p1 set1 4 3.75924239 2.81511635 -12.70565726 0.5978183 -3.11630302 -11.62596598 -1.81844027 -2.13393346 1.67120264 0.94516719 -0.01696408 -3.66757043 1.7486748 2.20127866 1.34414683 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.00009229 39511-08-5 1549521 144210094 A F (E)-3-(2-Furyl)acrolein O=C\C=C\c1ccco1 Tox21_202896 -NCGC00260235-01 196703529 tox21-ror-cho-viability-p1 set1 4 0.06865938 -4.506739396 2 -2.506739396 4.9549173134 0.4651767452 0.2130170411 0.39128568 3.10056657 -0.14045062 6.37642151 0.97527511 -0.09026615 -4.12686601 -2.37738113 0.27541066 -4.42188827 -1.21317991 -1.16431274 0.21598861 -6.67228283 -1.08693746 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.00009229 401788-99-6 11254899 144209885 FNS 1-Butyl-4-methylpyridinium hexafluorophosphate Cc1cc[n+](CCCC)cc1.F[P-](F)(F)(F)(F)F Tox21_202687 -NCGC00260145-01 196703925 tox21-ror-cho-viability-p1 set1 -3 34.1397303381 -45.0476303845 -5.120672566 -50.1683029505 4.9549173134 0.939136804 0.0000244573 -6.83321814 -2.62545548 -5.49755203 -1.56358567 -6.35449487 -10.91846359 -4.10402458 -6.37559033 -2.53088918 -4.5632038 -7.66718125 -4.50823177 -7.77985432 -6.34000746 -44.00728329 5.994E-10 1.34E-9 2.997E-9 6.701E-9 1.498E-8 3.3509999999E-8 7.492E-8 1.675E-7 3.746E-7 8.3759999999E-7 0.000001873 0.0000041879999999 0.000009365 0.00002094 0.000046819999999 7446-08-4 24007 144209795 Selenium dioxide O=[SeH2]=O Tox21_202597 -NCGC00091146-04 196704343 tox21-ror-cho-viability-p1 set1 -2.4 30.6378586933 -22.6395189639 -1.5 -24.1395189639 1.4163171 0.7589191855 0.0169709203 -1.77795275 -1.58027194 0.1600173 1.99520935 -2.05397931 -7.85697378 1.39083923 -1.27584017 0.14490642 -9.65097394 0.55987644 -2.56872177 -11.09882687 -14.09949409 -20.53293247 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00180889-03 196704347 tox21-ror-cho-viability-p1 set1 4 1.16054052 0.71161389 -0.81540644 0.39636348 -2.36386295 0.52902719 -0.89181762 1.22602226 1.13381618 0.08027885 -0.48510719 1.01611229 1.91644735 3.2907869 3.63961941 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 42461-84-7 60196270 170466598 A Flunixin meglumine CNC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO.FC(F)(F)c2cccc(Nc1ncccc1C(=O)O)c2C Tox21_110782_1 -NCGC00016043-08 196704349 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -17.5473681079 2 -15.5473681079 4.9549173134 0.9221131631 0.0000918279 1.14042366 3.18796757 2.6208321 1.11334763 3.0771624 0.99783433 3.03382256 0.78830772 4.09972052 3.11551736 0.55076478 1.08910306 1.96811217 1.5114047 -12.95614009 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118409-57-7 2052 170466860 A Tyrphostin 23 Oc1ccc(\C=C(/C#N)C#N)cc1O Tox21_110287_1 -NCGC00160472-02 196704351 tox21-ror-cho-viability-p1 set1 4 -3.30511989 0.11659519 -5.42934475 0.2770816 -8.12668315 -5.40433244 -5.22598925 -0.49141524 -7.87221846 -0.24545991 -0.01035479 2.49038791 -4.8505889 -0.20122183 2.62681698 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 99-45-6 7436 170466247 Z Adrenone Oc1ccc(cc1O)C(=O)CNC Tox21_113112_1 -NCGC00258571-01 196729341 tox21-ror-cho-viability-p1 set3 -2.4 68.7989315376 -29.945171788 1.5 -28.445171788 4.9549173134 0.917725082 0.0001202421 -1.41132505 2.68871375 2.28949833 -1.08498265 -1.07606885 2.90051556 -0.36951757 2.33051428 4.44844607 2.50662354 3.82294898 2.02941056 1.64771288 1.35581292 -22.87097649 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004133 0.000092409999999 62-31-7 65340 144208216 A A Dopamine hydrochloride Cl.Oc1ccc(CCN)cc1O Tox21_201018 -NCGC00357262-01 196724290 tox21-ror-cho-viability-p1 set3 4 0.10121275 -0.84661121 -1.9389559 5.87435626 7.60276343 -2.53597108 1.19780181 -2.33200204 0.80995001 -0.71322503 3.93189509 2.21955921 1.78344288 2.56333568 6.26479955 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 41484-35-9 64883 251919694 A Thioethylene glycol bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate) CC(C)(C)c1cc(cc(c1O)C(C)(C)C)CCC(=O)OCCSCCOC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C Tox21_303739 -NCGC00258404-01 196729750 tox21-ror-cho-viability-p1 set3 4 -4.08107153 1.58231577 -4.02193206 -2.51618567 -2.28895853 -1.1584904 0.44461769 -1.48311926 -3.83312367 -0.05117555 1.5841477 -3.48537481 0.00808672 1.50673767 4.5165898 1.16E-9 2.595E-9 5.802E-9 1.297E-8 2.901E-8 6.487E-8 1.451E-7 3.244E-7 7.253E-7 0.000001622 0.0000036269999999 0.000008109 0.000018129999999 0.000040549999999 0.000090659999999 151-67-7 3562 144208048 FC Fns Halothane BrC(Cl)C(F)(F)F Tox21_200850 -NCGC00258125-01 196729344 tox21-ror-cho-viability-p1 set3 -2.2 34.586102705 -49.3328213548 -2.018808434 -51.3516297888 1.331 0.9404362934 0.0000217501 2.64027898 -0.0051046 -2.64679498 -2.80525689 -0.81586342 -0.52483828 -3.42184666 -0.67730023 -2.63041549 -5.71986776 -5.35362208 -12.58325176 -15.59660265 -23.90052493 -47.54780536 1.1859999999E-9 2.6519999999E-9 5.929E-9 1.326E-8 2.964E-8 6.629E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.0000037059999999 0.000008286 0.00001853 0.000041429999999 0.00009264 75-95-6 60967 144207769 A Pentabromoethane BrC(Br)C(Br)(Br)Br Tox21_200571 -NCGC00257628-01 196729353 tox21-ror-cho-viability-p1 set3 4 -1.57565596 1.04929845 3.19469468 0.61098434 -1.38707234 -0.34373364 0.97728903 0.94729149 0.08218461 1.23953859 -2.91263286 -14.77502368 1.08399446 0.69647406 0.8157345 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.9719999999E-8 6.6449999999E-8 1.486E-7 3.3219999999E-7 7.429E-7 0.0000016609999999 0.000003714 0.0000083059999999 0.00001857 0.00004153 0.00009286 79-34-5 6591 144207272 A Ac 1,1,2,2-Tetrachloroethane ClC(Cl)C(Cl)Cl Tox21_200074 -NCGC00258660-01 196729754 tox21-ror-cho-viability-p1 set3 4 0.99191648 3.33990478 2.90561205 1.95409197 1.63607921 2.51479033 3.51695505 0.39976302 2.13098495 -2.41540497 4.56791422 -0.52002653 0.27833426 -1.91260908 -2.00354637 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-10-1 7909 144208306 FNS 4-Methyl-2-pentanone CC(C)CC(C)=O Tox21_201108 -NCGC00257577-01 196729756 tox21-ror-cho-viability-p1 set3 4 10.4739676789 -10.5371158839 -1.5 -12.0371158839 1.8851180601 0.8140789344 0.0059181048 -0.00277079 -3.20222388 -2.40509051 -0.26971506 -1.98329157 -4.96669347 1.09448851 -1.47187443 0 0 -5.20214656 -4.20919254 -9.39339078 -12.94759657 -9.99788162 1.144E-9 2.5579999999E-9 5.719E-9 1.2789999999E-8 2.8599999999E-8 6.3939999999E-8 1.4299999999E-7 3.197E-7 7.1489999999E-7 0.0000015989999999 0.0000035739999999 0.000007993 0.00001787 0.00003996 0.00008936 626-43-7 12281 144207221 A A 3,5-Dichloroaniline Nc1cc(Cl)cc(Cl)c1 Tox21_200023 -NCGC00258397-01 196729766 tox21-ror-cho-viability-p1 set3 4 2.97556772 1.97175339 5.23811917 4.37211106 -1.29391769 1.59111043 0.90763434 1.60640373 1.66817728 1.21547606 -0.13106303 0.26293546 0.4693202 2.25004155 1.34893399 1.197E-9 2.677E-9 5.986E-9 1.338E-8 2.993E-8 6.6919999999E-8 1.496E-7 3.346E-7 7.482E-7 0.000001673 0.000003741 0.000008366 0.00001871 0.00004183 0.00009353 112-15-2 8165 144208041 A A 2-(2-Ethoxyethoxy)ethyl acetate CCOCCOCCOC(C)=O Tox21_200843 -NCGC00258296-01 196729767 tox21-ror-cho-viability-p1 set3 -2.2 39.9082261048 -38.651605832 1.5 -37.151605832 2.3331733767 0.9420430247 0.0000187985 1.60135742 1.83912788 2.58298737 2.78145203 -1.76257838 3.02751045 3.33444807 1.69084249 -1.9358479 3.08278233 -2.37310558 0.52423512 1.18676455 -21.63475831 -31.79300486 1.214E-9 2.7139999999E-9 6.0679999999E-9 1.357E-8 3.034E-8 6.7839999999E-8 1.517E-7 3.3919999999E-7 7.5849999999E-7 0.000001696 0.0000037919999999 0.00000848 0.00001896 0.000042399999999 0.00009481 83-38-5 6737 144207940 A A 2,6-Dichlorobenzaldehyde O=Cc1c(Cl)cccc1Cl Tox21_200742 -NCGC00257663-01 196730161 tox21-ror-cho-viability-p1 set3 4 0.58346534 -0.14414638 0.36934363 -0.33568222 3.04297162 -1.9694405 0.66946703 0.38101124 0.82320632 2.18387902 1.88643376 -0.80995271 1.30286774 -0.552492 -2.26263944 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.3169999999E-8 2.944E-8 6.583E-8 1.472E-7 3.2919999999E-7 7.3599999999E-7 0.0000016459999999 0.00000368 0.0000082289999999 0.000018399999999 0.00004115 0.000092 96-41-3 7298 144207307 A Ac Cyclopentanol OC1CCCC1 Tox21_200109 -NCGC00257977-01 196730163 tox21-ror-cho-viability-p1 set3 4 -0.85681595 -0.05724722 0.72147402 1.34073714 -0.67181709 0.81313862 1.54742009 -0.95891276 0.39917103 0.23056249 2.02137055 0.84883039 -0.04903256 1.75408232 -0.73598265 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 102-82-9 7622 144207621 FNS Tributylamine CCCCN(CCCC)CCCC Tox21_200423 -NCGC00258356-01 196730171 tox21-ror-cho-viability-p1 set3 4 1.18616364 -1.70832194 0.8961483 0.7640143 -0.85840889 0.2777401 0.51259929 -0.29779881 -1.95978182 4.16292391 0.84179672 1.44631232 0.01239843 -0.34577032 0.24099125 1.1469999999E-9 2.566E-9 5.7369999999E-9 1.2829999999E-8 2.868E-8 6.414E-8 1.434E-7 3.2069999999E-7 7.1709999999E-7 0.000001603 0.000003585 0.000008017 0.00001793 0.00004009 0.00008964 95-51-2 7240 144208000 A A 2-Chloroaniline Nc1ccccc1Cl Tox21_200802 -NCGC00258462-01 196730179 tox21-ror-cho-viability-p1 set3 -2.4 68.3804186691 -30.06084092 0.5 -29.56084092 4.9549173134 0.8474016769 0.0024453787 1.59145408 -2.65874471 1.42441697 1.12693228 -0.96768376 -0.3735932 1.80579935 2.22756689 -2.58564366 -0.18629685 0 0 -2.37585247 6.0548817 -24.6340341 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.354E-7 0.0000016439999999 0.0000036769999999 0.0000082219999999 0.000018379999999 0.00004111 0.00009192 1219-38-1 14642 144208106 A A Octylparaben Oc1ccc(cc1)C(=O)OCCCCCCCC Tox21_200908 -NCGC00258617-01 196730586 tox21-ror-cho-viability-p1 set3 4 0.00747618 0.90478298 1.81145431 1.67688214 0.74004222 0.96369695 -1.09666662 -0.99870556 0.05931065 1.07170968 2.09675085 3.27439997 -0.0017241 -1.27776853 -2.27681107 1.188E-9 2.656E-9 5.9389999999E-9 1.3279999999E-8 2.9699999999E-8 6.64E-8 1.4849999999E-7 3.32E-7 7.4239999999E-7 0.0000016599999999 0.000003712 0.0000083 0.00001856 0.0000415 0.000092799999999 100-41-4 7500 144208262 FNS Ethylbenzene CCc1ccccc1 Tox21_201064 -NCGC00015661-12 196712884 tox21-ror-cho-viability-p1 set2 4 -2.57339638 -0.96337696 2.15613334 -0.96667059 -0.63467715 -0.27030798 1.38582431 1.6551526 -0.66594997 -1.04129971 -2.95135222 -2.80638389 -6.66942625 -2.3523289 -4.13355451 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25717-80-0 5353788 170465872 A Molsidomine O=C(OCC)[N-]c1c[n+](no1)N2CCOCC2 Tox21_110192_1 -NCGC00183006-01 196712887 tox21-ror-cho-viability-p1 set2 4 1.49597471 -1.31753815 -0.67888779 -0.6568672 -2.53937591 -2.40270354 1.41967945 0.55015853 -1.44275093 -0.72985217 -1.19454874 1.27823315 -0.04425363 -2.7900817 -1.07955949 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 167820-10-2 10455790 144206814 A A N-[(3R)-1-(2-Fluorophenyl)-4-oxo-3,4,6,7-tetrahydro[1,4]diazepino[6,7,1-hi]indol-3-yl]-1H-indole-2-carboxamide Fc6ccccc6C3=N[C@@H](NC(=O)c1cc2ccccc2n1)C(=O)N5CCc4cccc3c45 Tox21_113263 -NCGC00182076-03 196712870 tox21-ror-cho-viability-p1 set2 4 -1.35334514 -1.51089528 -0.8009243 0.01970485 -1.13094492 -0.93139178 2.1828591 0.35838571 -0.40223416 0.80716362 -0.62255525 -0.33960174 -0.24934794 0.78309169 -0.14929311 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 346-18-9 4870 170465068 A Polythiazide NS(=O)(=O)c2cc1c(NC(CSCC(F)(F)F)N(C)S1(=O)=O)cc2Cl Tox21_113137_1 -NCGC00015759-05 196712881 tox21-ror-cho-viability-p1 set2 -2.4 29.8492948118 -36.7872504559 2.5 -34.2872504559 1.8579476909 0.6954185308 0.0401445876 14.45545593 1.02579887 11.25979207 3.06642425 2.41310838 1.75306788 -1.36592778 -1.75589118 -2.63448361 1.13139422 0.21365502 -2.23649854 -3.57960582 -6.59936289 -25.23937538 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4789-68-8 11957654 170466251 A Octoclothepine maleate O=C(O)/C=C\C(=O)O.CN1CCN(CC1)C2Cc4ccccc4Sc3ccc(Cl)cc23 Tox21_111259_1 -NCGC00021623-05 196712890 tox21-ror-cho-viability-p1 set2 4 3.48902725 3.33765439 -0.20546823 1.38157312 0.76803025 2.73665207 1.79815938 -0.75762849 1.8053665 -1.77129003 2.2705931 -0.9565067 -0.67151322 -0.04736566 1.78295385 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 42200-33-9 39147 170464945 A Nadolol CC(C)(C)NCC(O)COc2cccc1C[C@@H](O)[C@@H](O)Cc12 Tox21_110646_1 -NCGC00344564-01 196713285 tox21-ror-cho-viability-p1 set2 4 -4.08827375 -3.19953398 -2.63452477 -2.69068453 -3.96421123 -3.53278594 -3.38834701 1.04664158 0.18987752 -3.19878759 1.00691166 0.23374844 1.01165415 0.30636133 2.99253133 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 520-27-4 5281613 170466258 A Diosmin COc1ccc(cc1O)C2=CC(=O)c3c(O)cc(cc3O2)O[C@@H]5O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]5O Tox21_111392_1 -NCGC00167973-02 196713296 tox21-ror-cho-viability-p1 set2 4 11.8832183006 20.327079592 -2.327079592 18 3.1319983358 0.8535597307 0.0031705032 -3.4241137 -2.34279442 -3.73622939 -3.64180203 -4.66443328 -0.11395157 -4.85589966 2.22483315 -4.23000718 -2.52270956 -1.0789442 0.54090418 2.79445498 15.71440666 3.08657899 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56839-43-1 123698 170465796 A Eperisone hydrochloride Cl.CC(CN1CCCCC1)C(=O)c2ccc(CC)cc2 Tox21_112599_1 -NCGC00015199-20 196713306 tox21-ror-cho-viability-p1 set2 -2.4 33.4914596268 -27.247760036 -0.5 -27.747760036 4.9549173134 0.927299587 0.0000632358 -5.15859691 -0.9180864 -0.43411904 -0.93063779 0.33366395 -0.20720741 0.08811007 -0.35174893 0.19916747 -0.69015888 0.35685623 0.56478292 -0.78480561 0.73293039 -23.53980003 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 305-03-3 2708 170464770 A Chlorambucil O=C(O)CCCc1ccc(cc1)N(CCCl)CCCl Tox21_110096_1 -NCGC00094906-06 196713723 tox21-ror-cho-viability-p1 set2 4 -5.69282018 -4.04216623 -4.24809219 -0.14990627 -3.005298 0.10745255 -2.91572888 2.51440358 -0.6328057 -0.45106308 0.90626415 2.1111416 1.01731707 1.53402783 3.86556045 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23327-57-3 155290 170465579 A Nefopam hydrochloride Cl.CN1Cc3ccccc3C(OCC1)c2ccccc2 Tox21_110606_1 -NCGC00254949-01 196714115 tox21-ror-cho-viability-p1 set2 4 0.968854161 -11.764550936 0.5 -11.264550936 3.1319983358 0.8604772939 0.0016221218 1.83451456 -0.54517247 -0.51745172 -0.75364287 0.36423825 1.66483157 1.42403084 0.77590772 -1.42104359 -12.22743072 -9.72092358 -6.26201755 -8.87730824 -12.86940039 -15.63712578 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141517-21-7 213016 144211364 A A Trifloxystrobin FC(F)(F)c1cccc(c1)C(\C)=N\OCc2ccccc2C(=N\OC)/C(=O)OC Tox21_301047 -NCGC00255067-01 196714119 tox21-ror-cho-viability-p1 set2 4 2.41055319 1.75964852 4.54511992 -0.90197362 0.84605462 -0.90147595 4.41469287 2.15162555 2.46410507 4.03839107 2.48668545 2.41267391 6.13191636 1.84018767 3.33257348 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 104-45-0 7702 144211486 A Ac 4-Propylanisole COc1ccc(CCC)cc1 Tox21_301169 -NCGC00254888-01 196714125 tox21-ror-cho-viability-p1 set2 4 0.78455754 -4.34235616 -4.15314128 -2.84803128 -2.70922251 -2.24260722 -1.53175267 -3.7684012 2.20854005 -0.44107962 1.27471449 -3.03307085 -2.43374262 0.80650907 -1.20762078 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-46-6 2723622 144211303 A A N,N'-Dibutylthiourea CCCCNC(=S)NCCCC Tox21_300986 -NCGC00259661-01 196705652 tox21-ror-cho-viability-p1 set1 4 -1.85757834 -1.50458687 0.9624136 1.13549791 -1.29863387 -5.1644079 -2.25472018 -1.39447711 -17.17266009 -1.94927567 -0.05061839 -5.17283885 -3.30938669 -1.39485733 -1.13999934 1.1859999999E-9 2.6519999999E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001853 0.000041439999999 0.000092669999999 96-09-3 7276 144209310 B F Styrene oxide c1ccccc1C2CO2 Tox21_202112 -NCGC00022003-06 196704830 tox21-ror-cho-viability-p1 set1 4 0.78766793 1.62838692 4.92983318 1.12575374 0.05708377 1.6597781 1.61070997 7.0240348 6.76069988 4.46352484 4.22484344 4.37710162 3.45852591 4.18944205 4.38538549 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33564-31-7 71414 170465294 A Diflorasone diacetate CC(=O)OCC(=O)[C@@]4(OC(C)=O)[C@@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3C[C@H](F)C1=CC(=O)C=C[C@@]12C Tox21_110875_1 -NCGC00016360-06 196705241 tox21-ror-cho-viability-p1 set1 4 -2.22447267 -5.54333605 -0.84854337 -3.42675006 -3.11889426 -5.42631205 -4.08126383 -2.43845091 -2.56026484 -5.14436549 -2.83782272 -1.33248814 -2.15536654 2.32407639 -2.62616802 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103-16-2 7638 170464724 F Monobenzone Oc2ccc(OCc1ccccc1)cc2 Tox21_110396_1 -NCGC00016710-05 196705246 tox21-ror-cho-viability-p1 set1 4 47.307944147 -14.427522756 -2 -16.427522756 0.8999999999 0.6789269507 0.0493766197 -2.84469693 -4.34624411 0.55543602 -0.93830931 -1.49867447 -2.13042461 0.02161292 -3.32796597 -3.12274057 -2.61924259 -1.71727091 -3.80476202 -3.18476117 -4.38254291 -12.02293563 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14976-57-9 5281069 170465318 A Clemastine fumarate CN3CCC[C@@H]3CCO[C@](C)(c1ccccc1)c2ccc(Cl)cc2.O=C(O)/C=C/C(=O)O Tox21_110574_1 -NCGC00259609-01 196706055 tox21-ror-cho-viability-p1 set1 4 5.69309738 5.3884002 -0.77256394 3.97955786 7.38953066 -2.2165796 2.16193782 -1.59345757 9.24725807 0 -0.17204642 4.97701455 2.29764274 0.91082955 -0.42748814 1.183E-9 2.6459999999E-9 5.916E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.395E-7 0.0000016539999999 0.0000036979999999 0.000008268 0.000018489999999 0.00004134 0.000092439999999 56-55-3 5954 144209258 A F Benz(a)anthracene c1c4ccccc4cc3c1ccc2ccccc23 Tox21_202060 -NCGC00259404-01 196706064 tox21-ror-cho-viability-p1 set1 4 1.20561088 -2.4879854 0.75501677 2.2752409 -2.02518622 -1.97687918 -6.49606507 -2.96261165 -5.07799971 -0.78422049 -0.27291058 1.1421055 -0.00200113 -7.95679535 3.21229061 1.164E-9 2.602E-9 5.819E-9 1.301E-8 2.91E-8 6.506E-8 1.4549999999E-7 3.253E-7 7.274E-7 0.0000016269999999 0.0000036369999999 0.0000081329999999 0.00001819 0.000040659999999 0.00009093 606-20-2 11813 144209053 A A 2,6-Dinitrotoluene Cc1c(cccc1[N+](=O)[O-])[N+]([O-])=O Tox21_201855 -NCGC00258867-01 196706472 tox21-ror-cho-viability-p1 set1 4 -0.01219912 -5.67907004 -8.88383992 -7.21494706 7.11682722 -0.09390877 -3.09878426 7.17679414 -1.0647339 -7.80247565 -3.96575099 1.89697542 -3.87080548 -1.070795 -2.89988845 1.188E-9 2.656E-9 5.9389999999E-9 1.3279999999E-8 2.969E-8 6.64E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.000003712 0.0000083 0.00001856 0.0000415 0.00009279 77-83-8 6501 144208513 F Ethyl methylphenylglycidate CCOC(=O)C2OC2(C)c1ccccc1 Tox21_201315 -NCGC00091080-03 196706492 tox21-ror-cho-viability-p1 set1 4 5.4482673282 -18.43986974 0.5 -17.93986974 2.1876167061 0.932828685 0.0000414925 5.74161574 0.16961601 1.09036442 -4.11677809 0.18700258 0.09397504 0.10009995 -0.81310289 0.31260133 1.0271847 -6.37913704 -12.47982465 -16.4449089 -18.69989145 -17.17479508 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00259566-01 196706900 tox21-ror-cho-viability-p1 set1 4 3.38405221 5.49834879 -1.15900822 3.26077256 0.10770393 2.47032235 -1.83370165 -1.95171847 -1.60896909 5.66233572 4.90797164 -1.37169078 -1.50155561 -1.14569039 0.45989458 1.131E-9 2.529E-9 5.6559999999E-9 1.2649999999E-8 2.828E-8 6.3229999999E-8 1.4139999999E-7 3.162E-7 7.069E-7 0.000001581 0.000003535 0.000007904 0.00001767 0.00003952 0.00008837 1634-78-2 15415 144209215 A Fc Malaoxon COP(=O)(OC)SC(CC(=O)OCC)C(=O)OCC Tox21_202017 -NCGC00259947-01 196706096 tox21-ror-cho-viability-p1 set1 4 -3.07722097 -2.34988884 0.92333862 -1.54080936 -0.8311489 -1.29400532 -0.74142577 -4.07204259 2.20104331 13.37869339 -0.31636788 -0.5747094 -2.07672533 -5.2452678 -8.72218383 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 132-32-1 8588 144209596 A A 3-Amino-9-ethylcarbazole Nc2cc3c1ccccc1n(CC)c3cc2 Tox21_202398 -NCGC00259263-01 196705668 tox21-ror-cho-viability-p1 set1 4 10.00257127 0.87815024 -6.79531302 1.75224681 2.1713446 1.52624255 1.87348588 0.14853067 -6.2821402 12.14794888 2.12859073 -0.19301038 -3.40863726 0.95997701 0.6867782 1.179E-9 2.6359999999E-9 5.8929999999E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.294E-7 7.367E-7 0.0000016469999999 0.0000036829999999 0.000008236 0.00001842 0.000041179999999 0.00009208 89-32-7 6966 144208912 A A 1H,3H-Benzo(1,2-c:4,5-c')difuran-1,3,5,7-tetrone O=C2OC(=O)c1cc3c(cc12)C(=O)OC3=O Tox21_201714 -NCGC00259691-01 196705675 tox21-ror-cho-viability-p1 set1 4 66.2942866028 15.0787832319 -1.0787832319 14 3.2974983358 0.3671337998 0.3043400618 0.81945917 -0.3609599 -8.41543192 -0.28160633 -2.84171387 0.20491742 -9.23231936 5.09260713 4.34915453 0 -2.60727587 -0.20031615 0.22519992 1.29212565 10.06543959 1.1469999999E-9 2.564E-9 5.734E-9 1.282E-8 2.867E-8 6.411E-8 1.434E-7 3.206E-7 7.168E-7 0.000001603 0.000003584 0.0000080139999999 0.00001792 0.00004007 0.0000896 106-49-0 7813 144209340 A A 4-Methylaniline Cc1ccc(N)cc1 Tox21_202142 -NCGC00163927-04 196705684 tox21-ror-cho-viability-p1 set1 4 3.15254826 1.52639662 4.81910378 7.47743545 2.31703424 1.22957941 -0.66413305 2.06134853 8.37736437 0.93352773 -0.41111986 0.0514996 -0.63091107 1.69592693 2.6731705 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00259237-01 196705586 tox21-ror-cho-viability-p1 set1 4 6.64212215 0.26637033 1.91026499 -10.10829448 3.09935802 1.07049623 0.38887232 -1.06689292 2.3355422 5.19781968 -0.68650573 2.30880508 -0.96301629 0.61015725 -2.39818879 1.171E-9 2.6189999999E-9 5.856E-9 1.3089999999E-8 2.9279999999E-8 6.547E-8 1.464E-7 3.274E-7 7.3199999999E-7 0.000001637 0.00000366 0.0000081839999999 0.0000183 0.00004092 0.0000915 74115-24-5 73670 144208886 A A Clofentezine Clc3ccccc3c1nnc(nn1)c2ccccc2Cl Tox21_201688 -NCGC00016385-08 196705175 tox21-ror-cho-viability-p1 set1 4 29.8492948118 12.4597353399 -0.4597353399 12 4.0949729863 0.678449576 0.0492393436 -0.28648649 -3.65836648 -5.79977945 -0.93491778 0.92458575 -0.51070397 2.01332382 0.13691228 0.60245336 -0.02082969 0.63901393 0.2920425 0.79383671 1.52123175 10.28572353 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127-71-9 5319 170465133 A Sulfabenzamide Nc1ccc(cc1)S(=O)(=O)NC(=O)c2ccccc2 Tox21_110410_1 -NCGC00249895-01 196705187 tox21-ror-cho-viability-p1 set1 4 -0.48287126 -1.126923 0.18752536 -1.67458109 0.31362048 -4.3358123 -2.69884021 -2.39766821 -1.06574449 -1.29314092 0.06419631 -1.79035676 -1.14316182 -2.21302379 0.27321321 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2226-11-1 6436059 170465560 A F Bornelone CC2(C)C(=C\C=C\C(C)=O)/C1CCC2C1 Tox21_113671 -NCGC00179431-03 196705189 tox21-ror-cho-viability-p1 set1 4 0.4551989 0.27537212 -4.07871068 0.06390088 -3.73645811 0.23115579 2.12837553 -5.27649399 -2.65905564 0.01375295 -5.50161071 2.96340055 -0.25408339 0.1365739 0.09028114 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7421-40-1 636402 170465951 A Carbenoxolone sodium [Na+].[Na+].[O-]C(=O)CCC(=O)O[C@H]4CC[C@]3(C)[C@H]5C(=O)C=C1[C@@](C)(CC[C@@]2(C)CC[C@@](C)(C[C@@H]12)C([O-])=O)[C@]5(C)CC[C@H]3C4(C)C Tox21_110769_1 -NCGC00259937-01 196705596 tox21-ror-cho-viability-p1 set1 4 7.71589885 6.53860397 0.46937595 3.76172814 3.53725093 -1.61342229 2.31183648 1.65527121 7.76882787 0 -1.59290997 0.76292657 4.14259993 -1.67933501 1.48795615 1.485E-9 3.3199999999E-9 7.424E-9 1.66E-8 3.712E-8 8.301E-8 1.8559999999E-7 4.1499999999E-7 9.28E-7 0.000002075 0.00000464 0.00001038 0.000023199999999 0.00005188 0.000116 2386-87-0 16949 144209586 I Cc UT-632 O=C(OCC1CC2OC2CC1)C3CCC4OC4C3 Tox21_202388 -NCGC00259625-01 196705603 tox21-ror-cho-viability-p1 set1 4 2.41309946 -0.62477674 2.49218566 9.16535282 2.7025036 1.00530432 0.92695645 -3.89030617 0.95576968 15.01126557 7.04170974 0.01777778 4.44267522 3.28101808 0.39599235 1.3479999999E-9 3.014E-9 6.74E-9 1.507E-8 3.37E-8 7.535E-8 1.685E-7 3.768E-7 8.425E-7 0.0000018839999999 0.000004212 0.000009419 0.000021059999999 0.0000471 0.0001053 107-13-1 7855 144209274 FNS Acrylonitrile C=CC#N Tox21_202076 -NCGC00259576-01 196705605 tox21-ror-cho-viability-p1 set1 -2.1 61.0684034629 -110.3133949536 -0.387753336 -110.7011482896 2.0437424601 0.9635087001 0.0000014657 -0.70899983 1.51892693 -0.41852853 5.01302708 1.94129293 -2.24319489 1.7973762 2.05972632 -0.10937326 1.33703242 0.43727152 -10.21422787 -17.56140547 -29.04207501 -83.86450628 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.00001842 0.0000412 0.00009212 15721-02-5 27465 144209225 A A 2,2',5,5'-Tetrachlorobenzidine Clc1cc(N)c(Cl)cc1c2cc(Cl)c(N)cc2Cl Tox21_202027 -NCGC00259972-01 196705609 tox21-ror-cho-viability-p1 set1 4 21.734065517 -19.666627864 1.5 -18.166627864 2.3331733767 0.8150909324 0.0057185887 2.28974854 3.4472745 0.10446061 -0.9262369 0.02921813 2.37074428 3.99785402 -1.77782245 1.91112854 8.60526004 -3.48522887 -2.53901432 -3.83750977 -16.80552322 -16.30899837 1.182E-9 2.644E-9 5.9109999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.305E-7 7.3889999999E-7 0.0000016519999999 0.0000036949999999 0.000008261 0.000018469999999 0.00004131 0.000092359999999 55589-62-3 11074431 144209621 A A Acesulfame potassium [K+].CC1=CC(=O)[N-]S(=O)(=O)O1 Tox21_202423 -NCGC00259359-01 196705611 tox21-ror-cho-viability-p1 set1 4 1.4827987 2.43065047 0 0.8947482 4.00486518 1.10242864 0.87849662 1.51675218 0.67050732 6.45406319 1.10044297 0.70203042 2.1131886 0.77655917 1.72909384 1.2089999999E-9 2.702E-9 6.0429999999E-9 1.3509999999E-8 3.021E-8 6.7559999999E-8 1.511E-7 3.3779999999E-7 7.5529999999E-7 0.000001689 0.000003777 0.000008445 0.00001888 0.00004222 0.00009441 92-48-8 7092 144209008 A A 6-Methyl coumarin Cc1ccc2OC(=O)C=Cc2c1 Tox21_201810 -NCGC00258596-01 196701883 tox21-ror-cho-viability-p1 set1 4 5.26620299 -0.56138099 -2.18313344 4.4922341 -2.73647216 -2.03194007 -0.57816984 3.90826701 -8.73228802 1.9079232 -1.36717984 0.17668261 -2.56751907 2.04654647 0.97488746 1.197E-9 2.676E-9 5.9839999999E-9 1.338E-8 2.992E-8 6.69E-8 1.496E-7 3.345E-7 7.48E-7 0.000001673 0.00000374 0.000008363 0.000018699999999 0.000041819999999 0.0000935 15356-60-2 165675 144208241 A A (1S,2R,5S)-(+)-Menthol CC(C)[C@H]1CC[C@H](C)C[C@@H]1O Tox21_201043 -NCGC00255486-01 196701473 tox21-ror-cho-viability-p1 set1 4 -6.16643286 -1.27250268 -3.64142006 2.44682624 -4.17408595 0.23398335 -4.32229582 1.85021796 -4.87685397 3.11880623 -12.26246244 2.321419 -7.64432525 2.04565636 -1.39013186 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5080-50-2 6917959 144212657 A Ac Acetyl-L-carnitine hydrochloride Cl.O=C(C)O[C@H](CC([O-])=O)C[N+](C)(C)C Tox21_302340 -NCGC00258046-01 196701879 tox21-ror-cho-viability-p1 set1 4 0.87055572 0.96955322 1.59635934 6.32496285 0.60297359 6.38078438 10.77283935 9.35318607 4.95022041 0.04168016 7.33029756 -0.26171107 7.13542964 4.41035414 -0.43736435 1.185E-9 2.6499999999E-9 5.9249999999E-9 1.325E-8 2.9629999999E-8 6.625E-8 1.481E-7 3.312E-7 7.406E-7 0.000001656 0.0000037029999999 0.000008281 0.00001852 0.0000414 0.00009258 67-48-1 6209 144207690 A Choline chloride [Cl-].C[N+](C)(C)CCO Tox21_200492 -NCGC00258503-01 196701881 tox21-ror-cho-viability-p1 set1 4 -11.90328265 -5.5099049 -6.36558127 -5.61826096 -10.40299205 0.80093357 -5.672431 -14.23837951 -6.27662437 -8.40183891 -9.89133505 -7.38352063 -9.84585565 -4.72011428 -3.78491623 1.204E-9 2.693E-9 6.0219999999E-9 1.347E-8 3.011E-8 6.733E-8 1.5049999999E-7 3.366E-7 7.527E-7 0.000001683 0.0000037639999999 0.000008416 0.00001882 0.00004208 0.00009409 563-41-7 11236 144208148 Semicarbazide hydrochloride Cl.NC(=O)NN Tox21_200950 -NCGC00256604-01 196727334 tox21-ror-cho-viability-p1 set3 4 8.60280396 4.51038495 0.60409856 1.03859679 2.46750602 2.93313938 4.03233155 4.89583625 4.64597035 3.93481187 2.85313401 1.65907848 2.43162151 2.96758113 1.72012978 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 592-31-4 11595 144213154 A A N-Butylurea NC(=O)NCCCC Tox21_302837 -NCGC00257349-01 196726921 tox21-ror-cho-viability-p1 set3 4 2.6550598 2.45464802 -1.00537083 -1.49320775 0.29331818 -0.80010554 -0.3116794 -0.90832614 2.61780905 1.07423572 -1.05421213 1.78560425 0.33425327 -1.50317216 3.14764457 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 638-38-0 12525 144213723 Fns Manganese(II) acetate [Mn+2].[O-]C(C)=O.[O-]C(C)=O Tox21_303412 -NCGC00256670-01 196726922 tox21-ror-cho-viability-p1 set3 4 1.3919785 -19.39911577 -24.47232991 -19.66831383 -3.06067562 -0.94135758 -3.12262241 -2.93275306 -1.88676384 -3.89944078 -3.60227967 -15.79597483 -8.75219579 -0.29352745 -6.22628483 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2443-58-5 75547 144212912 A A 2-Hydroxyfluorene Oc1ccc2c3ccccc3Cc2c1 Tox21_302595 -NCGC00256314-01 196727329 tox21-ror-cho-viability-p1 set3 4 -18.29202309 1.84207167 -29.04402348 1.29633433 -26.85536524 -1.48839712 -0.7702821 -1.77724467 -1.39951232 -23.47202237 -6.53801948 -27.8844731 -23.74961315 -10.89289795 -6.15946494 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 123-76-2 11579 144213046 A A 4-Oxopentanoic acid CC(=O)CCC(=O)O Tox21_302729 -NCGC00256495-01 196727339 tox21-ror-cho-viability-p1 set3 -2.4 68.5896218971 -30.437751616 1.5 -28.937751616 4.9549173134 0.9788106093 6.69E-8 0.15932398 0.11368586 2.31520632 0.33449314 0.98055633 0.69662342 1.07257887 1.36813034 1.51289998 2.9703651 2.12238443 1.93471715 1.13553003 0.79533708 -23.28145968 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 396-01-0 5546 144213150 A A Triamterene Nc2nc(N)nc1nc(N)c(nc12)c3ccccc3 Tox21_302833 -NCGC00257331-01 196727340 tox21-ror-cho-viability-p1 set3 4 -0.05401872 4.417288 5.33635014 3.97588809 7.82112575 0.54430956 7.29873153 1.20906715 5.58909187 4.60166839 0.47476016 5.0560603 7.76702785 7.26095108 5.31847987 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15499-27-1 524314 144213746 A Ac 4-Butylchlorobenzene Clc1ccc(CCCC)cc1 Tox21_303435 -NCGC00257385-01 196727341 tox21-ror-cho-viability-p1 set3 4 0.76112272 0.24530708 3.04846742 1.7036097 -0.67896199 -1.47230207 1.29837679 1.1990312 0.31343487 2.30428417 2.91624769 -0.7866987 2.21715916 2.07941272 -0.20629946 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 37764-25-3 37829 144213773 A A Dichlormid ClC(Cl)C(=O)N(CC=C)CC=C Tox21_303463 -NCGC00256535-01 196727343 tox21-ror-cho-viability-p1 set3 -2.2 61.130564862 -68.5945199671 1.1708887839 -67.4236311832 3.6272481694 0.9895727181 1.1E-9 1.40561443 2.57735026 1.17708921 1.42760711 1.18747352 2.36073955 3.03326217 2.66522365 3.4247249 1.51135513 -0.8156917 -0.01120356 -3.08388606 -11.30643531 -54.86638726 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-65-6 8066 144213192 A A 2-Butyne-1,4-diol OCC#CCO Tox21_302875 -NCGC00256834-01 196727345 tox21-ror-cho-viability-p1 set3 4 43.2771256911 -7.162111116 0 -7.162111116 2.7202212143 0.4585134862 0.2206289983 -1.0533402 0.2267078 -0.42839318 -1.2962361 -4.50908441 -1.20196609 -0.10128305 1.33383982 1.26152417 0.96285142 4.40052303 -0.45239117 1.45436446 -4.38368056 -5.96842593 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13678-68-7 61660 144212803 A F S-Furfuryl thioacetate O=C(C)SCc1ccco1 Tox21_302486 -NCGC00254245-01 196714972 tox21-ror-cho-viability-p1 set2 4 1.46890846 1.48145265 0.98040009 -0.25373087 1.42152236 0.37224613 1.51901575 -0.58699331 -0.2275753 1.11548728 1.91902303 0.62865925 2.16435132 -0.70396728 -1.06435182 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2144-53-8 75066 144210924 A Tridecafluorohexylethyl methacrylate FC(F)(CCOC(=O)C(=C)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300607 -NCGC00254896-01 196714953 tox21-ror-cho-viability-p1 set2 4 1.19215224 1.22190178 -2.28887552 1.64407605 -1.8487361 -1.59966889 2.65910993 2.91733517 -0.81352924 -1.12790251 -4.84593122 -0.89098285 -2.42571667 -2.90035721 -4.27301477 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 128639-02-1 86222 144211311 A A Carfentrazone-ethyl O=C(OCC)C(Cl)Cc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F Tox21_300994 -NCGC00095042-06 196715377 tox21-ror-cho-viability-p1 set2 4 0.74182065 0.56510016 -0.20167764 -3.38150419 1.75237743 0.71989693 0.51790106 0.5588196 1.31017372 -0.45361621 -0.27620714 1.99833929 1.02376076 0.47667439 1.48103186 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00257755-01 196715388 tox21-ror-cho-viability-p1 set2 4 -0.82614299 0.30003275 -0.06680064 -0.86190792 -0.76941438 -1.80220839 -2.78669479 -1.98184493 -0.88449021 -1.03769547 -0.99807809 -0.12622991 0.31645116 -1.38272605 -2.31293502 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.000041259999999 0.000092249999999 13506-76-8 16097 144207399 A A 2-Methyl-6-nitrobenzoic acid O=[N+]([O-])c1cccc(C)c1C(=O)O Tox21_200201 -NCGC00258621-01 196716205 tox21-ror-cho-viability-p1 set2 4 76.6458749207 -24.1671801479 1 -23.1671801479 4.9549173134 0.837135558 0.0033007916 0.70847139 2.59285989 1.25378041 0.97177962 4.22063495 -2.05584163 -0.61509439 -0.0152155 1.89131374 0.52857815 4.94531458 -0.56141611 -1.65479784 1.53433725 -16.38931679 1.1759999999E-9 2.63E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.576E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.00000822 0.000018379999999 0.0000411 0.0000919 1689-99-2 15533 144208266 C Bromoxynil octanoate Brc1cc(cc(Br)c1OC(=O)CCCCCCC)C#N Tox21_201068 -NCGC00258269-01 196716227 tox21-ror-cho-viability-p1 set2 4 12.3337208221 4.767418956 -2.767418956 2 1.9673362061 0.3315302526 0.3420423017 -0.60353519 -0.615694 -2.01734638 -5.56464377 0.04913224 -2.52993632 -2.75832755 -7.72284913 0.23857052 -3.04061106 -2.1970978 -3.16282158 3.32067647 -0.75102123 3.04720235 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.33E-7 7.445E-7 0.000001665 0.0000037229999999 0.000008324 0.00001861 0.00004162 0.00009306 6362-79-4 23670844 144207913 A A Sodium 5-sulfoisophthalate [Na+].O=S([O-])(=O)c1cc(cc(c1)C(=O)O)C(=O)O Tox21_200715 -NCGC00258295-01 196715819 tox21-ror-cho-viability-p1 set2 4 2.1619416 -0.35226568 1.51961118 3.51660306 3.65012802 3.36863765 0.39973321 -1.56065105 -1.35645206 0.04622736 3.00698558 -0.55824823 2.02593315 -1.40345369 1.43541108 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 71-36-3 263 144207939 A A 1-Butanol CCCCO Tox21_200741 -NCGC00258458-01 196716222 tox21-ror-cho-viability-p1 set2 4 -1.53675596 3.39039416 -2.03471406 0.15650829 -0.48686406 -5.73920342 1.6558956 1.21774063 0.34735237 2.97814079 0.60899809 -2.50053649 3.27779748 -6.94219699 -2.91265196 1.1689999999E-9 2.6129999999E-9 5.844E-9 1.3069999999E-8 2.922E-8 6.5339999999E-8 1.461E-7 3.267E-7 7.305E-7 0.0000016329999999 0.000003652 0.000008167 0.00001826 0.000040829999999 0.000091309999999 2493-84-7 17231 144208102 A A 4-Octyloxybenzoic acid O=C(O)c1ccc(OCCCCCCCC)cc1 Tox21_200904 -NCGC00258490-01 196716224 tox21-ror-cho-viability-p1 set2 4 -2.70154047 -1.88589904 -1.24811529 -2.91664387 0.27254045 1.02472666 0.7177045 -2.65524023 -2.35474289 -2.39289571 -0.99959578 -1.02209444 -2.07864028 -0.50238206 2.78838953 1.191E-9 2.664E-9 5.9569999999E-9 1.332E-8 2.978E-8 6.66E-8 1.489E-7 3.33E-7 7.446E-7 0.000001665 0.0000037229999999 0.0000083249999999 0.00001861 0.00004162 0.000093069999999 31138-65-5 23664054 144208134 A D-Gluco-heptonic acid, monosodium salt [Na+].O[C@H]([C@@H](O)[C@@H](O)C([O-])=O)[C@H](O)[C@H](O)CO Tox21_200936 -NCGC00091643-08 196716236 tox21-ror-cho-viability-p1 set2 -2.2 61.130564862 -78.1313845529 1.6970327789 -76.434351774 2.09374246 0.9667711169 8.66E-7 4.32886337 5.12486026 3.29868989 0.3281163 0.49249728 3.12884802 0.00728889 3.12344264 0.22639479 1.66118953 0.83843072 -0.14443588 -11.28860033 -18.50915072 -57.90481195 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00258780-01 196716242 tox21-ror-cho-viability-p1 set2 4 -0.15005571 -0.56115236 -0.10502581 -1.65505317 -1.49349473 1.01008526 -2.92224317 0.06393677 -0.45373883 -2.72501284 -1.1615615 -0.96855392 -1.46309892 -0.29260434 -4.28346778 1.196E-9 2.6749999999E-9 5.981E-9 1.337E-8 2.9899999999E-8 6.6869999999E-8 1.4949999999E-7 3.3429999999E-7 7.476E-7 0.0000016719999999 0.0000037379999999 0.000008358 0.00001869 0.00004179 0.00009345 1975-50-4 16096 144208426 A A 2-Methyl-3-nitrobenzoic acid Cc1c(cccc1[N+](=O)[O-])C(=O)O Tox21_201228 -NCGC00258356-01 196716243 tox21-ror-cho-viability-p1 set2 4 0.0014841442 10.967595228 -2.467595228 8.5 4.9549173134 0.4811561843 0.197976643 -0.38966269 8.38452329 7.77485227 2.32113478 11.14564089 8.82392004 6.07893655 8.11676403 11.64119534 8.02939694 6.12720866 10.95478246 7.9887629 9.48567656 8.92922856 1.1469999999E-9 2.566E-9 5.7369999999E-9 1.2829999999E-8 2.868E-8 6.414E-8 1.434E-7 3.2069999999E-7 7.1709999999E-7 0.000001603 0.000003585 0.000008017 0.00001793 0.00004009 0.00008964 95-51-2 7240 144208000 A A 2-Chloroaniline Nc1ccccc1Cl Tox21_200802 -NCGC00259071-01 196708563 tox21-ror-cho-viability-p1 set2 4 -0.54418422 -6.93297003 -4.61430162 1.62188321 -1.84408457 -2.03516195 -3.98145781 -3.3786133 -0.14962931 -3.41267471 -2.25454236 -4.73273821 -3.52102279 -3.51145672 -7.47210378 1.162E-9 2.5969999999E-9 5.808E-9 1.299E-8 2.9039999999E-8 6.493E-8 1.4519999999E-7 3.247E-7 7.2599999999E-7 0.000001623 0.0000036299999999 0.000008117 0.000018149999999 0.000040579999999 0.00009075 117-79-3 8341 144208719 A A 2-Aminoanthraquinone Nc2ccc3C(=O)c1ccccc1C(=O)c3c2 Tox21_201521 -NCGC00257200-01 196708145 tox21-ror-cho-viability-p1 set1 4 2.24058298 0.24049213 0.82807351 -0.57447266 1.11193082 -0.01736585 -0.34604851 1.32817035 1.07906008 0.86723291 1.71654553 4.1884171 -0.08191191 -0.66724183 0.73841175 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 886-50-0 13450 144213458 A A Terbutryn CSc1nc(NCC)nc(NC(C)(C)C)n1 Tox21_303141 -NCGC00256511-01 196708149 tox21-ror-cho-viability-p1 set1 -3 61.130564862 -50.7163163319 1.1336413579 -49.582674974 3.2974983358 0.9222127469 0.000089428 3.11226219 0.96458627 -0.97549565 -0.0090521 0.07287655 0.00414191 9.73332281 2.48714215 1.37636409 0.2441085 1.13165059 -5.36182298 0.14041674 -9.88166805 -38.93026361 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 116-29-0 8305 144213083 A A Tetradifon Clc1cc(c(Cl)cc1Cl)S(=O)(=O)c2ccc(Cl)cc2 Tox21_302766 -NCGC00256512-01 196708151 tox21-ror-cho-viability-p1 set1 -1.1 6.1130564862 -86.6791742212 2.3910666129 -84.2881076083 2.2481167061 0.9783889056 7.42E-8 4.86843819 1.71759248 -0.18371622 3.33590181 0.74208072 2.12644835 0.8954426 4.71888994 2.66178653 -0.86146874 -25.1049673 -46.26514029 -91.22089568 -81.21812605 -77.16940237 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-47-4 6478 144213097 Hexachlorocyclopentadiene ClC=1C(Cl)=C(Cl)C(Cl)(Cl)C=1Cl Tox21_302780 -NCGC00091278-03 196708571 tox21-ror-cho-viability-p1 set2 4 -0.3268854 -1.16741596 -1.22691101 -0.28790393 -0.03154778 0.52262166 -0.687253 -1.12524616 -1.19188652 -0.97974637 0.92633288 0.94044339 2.67884839 0.80873644 -6.00061863 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00256357-01 196707334 tox21-ror-cho-viability-p1 set1 4 -1.77158852 -0.95463613 -0.25280272 0.48314068 -1.14689618 -3.4937959 -3.46752945 -0.00803171 0.44106858 -2.62554316 -3.59717595 -0.93152299 6.80700902 -3.67229779 5.0286208 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-75-5 6947 144213075 A F 2-Nitrophenol O=[N+]([O-])c1ccccc1O Tox21_302758 -NCGC00259514-01 196706932 tox21-ror-cho-viability-p1 set1 4 23.8670456457 -10.772704772 0 -10.772704772 4.0949729863 0.5365315181 0.1472407773 -7.24050388 7.380684 -1.5791775 -1.54267411 1.12120913 -2.92971172 0.08517624 1.65436036 -3.4271764 4.24785901 1.30870135 0.45005863 -3.1424029 -9.33995172 -11.06058731 1.1609999999E-9 2.595E-9 5.803E-9 1.298E-8 2.9019999999E-8 6.488E-8 1.451E-7 3.244E-7 7.254E-7 0.000001622 0.0000036269999999 0.0000081099999999 0.000018129999999 0.000040549999999 0.00009067 86-50-0 2268 144209163 C C Azinphos-methyl COP(=S)(OC)SCN1N=Nc2ccccc2C1=O Tox21_201965 -NCGC00259480-01 196706934 tox21-ror-cho-viability-p1 set1 4 -5.2514861 -0.15767106 -6.65937773 -2.57678587 -6.59567095 -6.29031532 3.07384722 -6.73740155 -0.80189487 0 -7.12070074 -16.42446834 5.34878588 -13.49474055 -22.43003833 1.159E-9 2.5929999999E-9 5.797E-9 1.2959999999E-8 2.8989999999E-8 6.481E-8 1.449E-7 3.241E-7 7.246E-7 0.00000162 0.000003623 0.000008102 0.00001812 0.00004051 0.000090579999999 58-90-2 6028 144209129 A A 2,3,4,6-Tetrachlorophenol Clc1cc(Cl)c(Cl)c(Cl)c1O Tox21_201931 -NCGC00256539-01 196707329 tox21-ror-cho-viability-p1 set1 4 -8.08190685 -11.79714501 -16.78219086 -9.61308558 -12.99188756 -6.62327745 -13.71811536 -12.56506176 -14.97887047 -15.15801332 -16.49530658 -13.94895522 -16.57475543 -13.11144468 -6.26558548 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-22-6 5753 144213947 A A Corticosterone OCC(=O)[C@H]4CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_303642 -NCGC00256515-01 196707336 tox21-ror-cho-viability-p1 set1 4 3.88511279 2.58294383 5.91028858 0.91197348 1.97954061 -1.17672025 5.43641226 6.66143332 8.39909071 5.20833891 0.45924468 7.67590857 -1.47140825 5.11901674 6.69440575 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-25-8 4021 144213136 A C 1-Phenyl-3-methyl-5-pyrazolone O=C2CC(C)=NN2c1ccccc1 Tox21_302819 -NCGC00256344-01 196707345 tox21-ror-cho-viability-p1 set1 4 -6.94764144 -2.90810932 1.894226 -3.71424638 -3.48977896 -5.31541035 3.57766222 -1.9910885 -3.18923917 1.28959743 -2.59597932 4.61035978 -4.57173557 -0.09535816 -12.10111831 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 103-76-4 7677 144213198 A Fns 1-Piperazineethanol OCCN1CCNCC1 Tox21_302881 -NCGC00257116-01 196707352 tox21-ror-cho-viability-p1 set1 4 4.15083846 0.684293 -1.52614072 -0.87821915 -0.70604951 2.69273268 1.75646812 3.44378642 -0.849525 0.30157993 1.45363176 0.44034512 2.28245389 1.29508639 7.14078104 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2778-42-9 17719 144213606 F F 1,3-Bis(2-isocyanatopropan-2-yl)benzene CC(C)(\N=C=O)c1cccc(c1)C(C)(C)/N=C=O Tox21_303289 -NCGC00256582-01 196707353 tox21-ror-cho-viability-p1 set1 4 9.37314905 3.36265729 6.6960023 2.6164657 1.91289979 4.19282075 2.52727468 6.15129432 0.17493263 -0.09819964 2.47112261 -1.70899972 5.13623848 4.59614879 1.88981722 1.156E-9 2.585E-9 5.781E-9 1.293E-8 2.8899999999E-8 6.463E-8 1.4449999999E-7 3.232E-7 7.226E-7 0.000001616 0.000003613 0.000008079 0.000018069999999 0.00004039 0.00009033 1465-25-4 15106 144213100 A C N-(1-Naphthyl)ethylenediamine dihydrochloride Cl.Cl.NCCNc2cccc1ccccc12 Tox21_302783 -NCGC00090874-04 196703552 tox21-ror-cho-viability-p1 set1 4 0 1.91545692 1.01406262 -0.24049351 -0.36373068 3.24180283 -0.23832555 -1.65018477 2.07657338 3.32969177 -0.44045083 -0.35075637 0.43160894 -0.65771774 -0.7958288 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00258884-01 196706850 tox21-ror-cho-viability-p1 set1 4 0.4248614762 18.077917904 -14.077917904 4 0.3 0.467098079 0.2255712825 -8.94594809 -10.91455995 -13.30697385 -17.14826492 -3.43984162 1.25849835 -10.89383197 -3.93877496 -6.60538935 -7.74588882 2.08741679 -0.9621437 -1.06444366 0.60079331 -7.73875751 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.4519999999E-7 3.2479999999E-7 7.2619999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 99-51-4 7440 144208530 A A 1,2-Dimethyl-4-nitrobenzene Cc1ccc(cc1C)[N+](=O)[O-] Tox21_201332 -NCGC00091253-05 196706859 tox21-ror-cho-viability-p1 set1 4 3.59421927 5.01718784 1.52900734 1.95129109 4.45918726 -0.25117104 0.36006892 4.02661202 6.05749949 12.84232929 5.693832 1.89994414 0.93341334 -2.15064825 1.95224846 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00090701-06 196707251 tox21-ror-cho-viability-p1 set1 4 -10.52901818 -0.29233673 0.31009218 0.54072331 -2.37016691 -10.88462767 -0.92287236 -1.39976995 2.65449833 -14.80169005 2.02619727 -8.6577564 0.28473616 -0.10371399 -1.86929547 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00356946-01 196703538 tox21-ror-cho-viability-p1 set1 4 1.4960085492 4.769485916 1.230514084 6 4.9549173134 0.5536823436 0.1347667464 1.60971078 1.89012539 0.11696243 1.42983639 0.82298348 1.04461608 -0.29404309 -1.05790493 5.38071199 1.09738098 4.92074986 9.12122992 1.83595459 7.71623148 5.32214083 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98105-99-8 56208 251919829 A Sarafloxacin Fc1ccc(cc1)N2C=C(C(=O)O)C(=O)c3cc(F)c(cc23)N4CCNCC4 Tox21_303838 -NCGC00260339-01 196703539 tox21-ror-cho-viability-p1 set1 4 -0.20661673 5.97771599 -0.44914375 6.05779101 0.01305322 0.10623652 3.51843931 0.09441687 0.35644799 0.04961334 0.55227586 -0.82818115 -3.2201663 5.88350893 0.26969354 5.9239999999E-10 1.3249999999E-9 2.9619999999E-9 6.623E-9 1.481E-8 3.3119999999E-8 7.405E-8 1.656E-7 3.7019999999E-7 8.2789999999E-7 0.000001851 0.0000041399999999 0.0000092559999999 0.0000207 0.00004628 54-12-6 1148 144209991 A A dl-Tryptophan O=C(O)C(N)Cc2cnc1ccccc12 Tox21_202793 -NCGC00258705-01 196703540 tox21-ror-cho-viability-p1 set1 -2.2 23.4389772284 -43.5023896736 -4 -47.5023896736 0.9999999999 0.8766285225 0.0009015003 -4.62819179 -6.02558381 -2.22464672 -13.68163018 -4.09203725 -8.796582 -5.37332036 -5.19078098 1.45192527 -11.67818803 -9.96861395 -11.80463658 -21.70433938 -31.86707932 -37.12302248 1.039E-9 2.324E-9 5.197E-9 1.1619999999E-8 2.598E-8 5.81E-8 1.299E-7 2.9049999999E-7 6.4959999999E-7 0.000001453 0.000003248 0.000007263 0.000016239999999 0.00003631 0.0000812 17924-92-4 5281576 144208351 A A Zearalenone Oc1cc(O)cc2C=CCCCC(=O)CCC[C@H](C)OC(=O)c12 Tox21_201153 -NCGC00260505-01 196703557 tox21-ror-cho-viability-p1 set1 4 68.241009061 -11.4559684959 2 -9.4559684959 4.9549173134 0.540766698 0.1450128373 3.57709933 0.48593876 1.18501001 1.49471075 -0.97451341 1.60004385 -1.01150086 4.95635783 5.10806962 0.93816411 1.91109605 0.14791504 6.98687624 1.12297577 -7.46330708 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003673 0.0000082119999999 0.000018359999999 0.00004106 0.000091819999999 4752-10-7 78490 144210157 C D 1,4-Dichlorophthalazine Clc2nnc(Cl)c1ccccc12 Tox21_202959 -NCGC00260432-01 196703949 tox21-ror-cho-viability-p1 set1 4 -0.9225677 -1.02739278 -3.53264561 -1.89703206 -6.1769441 -4.92704227 -0.00827032 0.38770401 0.98434526 -0.31217102 -3.86066841 -3.65783253 -2.10510146 -0.65531388 2.04579964 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004136 0.00009247 602-38-0 11764 144210084 B B 1,8-Dinitronaphthalene [O-][N+](=O)c1cccc2cccc([N+]([O-])=O)c12 Tox21_202886 -NCGC00357182-01 196703952 tox21-ror-cho-viability-p1 set1 4 -4.69856268 1.75890777 4.14819016 2.09477637 -3.69544374 0.10512006 0.89398933 0.62413282 -2.9724627 0.64669151 1.80808695 0.18408971 8.09392495 1.26931442 3.7788572 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5977-14-0 80077 251919747 A 3-Oxobutanamide CC(=O)CC(N)=O Tox21_303947 -NCGC00260179-01 196703960 tox21-ror-cho-viability-p1 set1 4 -3.29016958 -1.56037146 -3.71927601 -3.53777499 1.87272218 0.84299403 -3.44625834 0.6721796 -3.29646892 -4.31830818 -2.05963239 1.73798528 -4.20344043 1.1521038 1.19297301 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.9369999999E-8 6.568E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.000003672 0.00000821 0.000018359999999 0.000041049999999 0.00009179 174899-90-2 21932259 144209829 A A 1-Ethyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide C[n+]1ccn(CC)c1C.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F Tox21_202631 -NCGC00090986-03 196703964 tox21-ror-cho-viability-p1 set1 -2.1 61.5037543138 -95.391306905 -0.060086695 -95.4513936 3.6272481694 0.9821130805 2.49E-8 -4.95700827 -0.25184587 2.14386401 -0.32864057 -0.3479651 0.92129187 -3.82833299 0.46864228 2.37893979 0.84737817 2.60738695 2.48427044 -7.47685759 -17.60030953 -77.99348 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00255555-01 196728166 tox21-ror-cho-viability-p1 set3 4 0.0010113488 -21.59322306 -2.27638418 0.45187893 2.93452722 2.33973364 -3.69544696 -0.44074801 -2.34195207 0.08596758 0.07703767 -2.13239543 -2.45593953 -4.35132652 -0.50277941 0.96868515 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 29450-45-1 93128 144212577 A A MCPA-2-ethylhexyl Clc1cc(C)c(OCC(=O)OCC(CC)CCCC)cc1 Tox21_302260 -NCGC00255291-01 196728167 tox21-ror-cho-viability-p1 set3 4 3.48227653 0.46784083 1.69555152 12.11472239 7.00948608 0.80882084 0.39800105 1.06888078 -5.89460583 -5.4835283 7.27438364 7.97645569 -3.3198395 8.05514804 4.54697219 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-03-7 8830 144211831 A A Dibutyl butanedioate O=C(CCC(=O)OCCCC)OCCCC Tox21_301514 -NCGC00255672-01 196728159 tox21-ror-cho-viability-p1 set3 -1.1 7.7689767116 -90.1779817557 2.1821242909 -87.9958574648 4.9549173134 0.9807624897 3.79E-8 0.22520563 4.28798585 7.08573694 4.63061094 5.02551942 1.02101732 -9.28750342 -6.01510357 4.17520995 2.95833706 3.051139 -81.58527203 -91.09302015 -84.21572049 -84.18952983 1.586E-9 3.5449999999E-9 7.9279999999E-9 1.7729999999E-8 3.964E-8 8.863E-8 1.982E-7 4.4319999999E-7 9.91E-7 0.000002216 0.000004955 0.000011079999999 0.00002477 0.0000554 0.0001239 134-30-5 61080 144212693 A A 8-Hydroxyquinoline citrate O=C(O)C(O)(CC(=O)O)CC(=O)O.Oc1cccc2cccnc12 Tox21_302376 -NCGC00255295-01 196728163 tox21-ror-cho-viability-p1 set3 4 4.47155563 -5.10013298 -0.90370156 -3.72397444 1.62774807 -2.69952758 3.38100464 2.90294512 7.86038995 -0.10868728 -2.1410537 1.82309311 0.94136707 0.67865252 -4.30162404 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 339-43-5 9564 144212134 A A Carbutamide Nc1ccc(cc1)S(=O)(=O)NC(=O)NCCCC Tox21_301817 -NCGC00255158-01 196728168 tox21-ror-cho-viability-p1 set3 4 -1.08942527 -2.85504345 -1.74483062 1.80703127 5.22151578 -2.88171713 -4.87664811 5.19916284 -4.47283964 3.26990031 -4.60755934 -9.56178247 -6.63164641 -1.62589327 -1.90971175 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-27-3 6525 144212423 A B 1-Ethynylcyclohexanol C#CC1(O)CCCCC1 Tox21_302106 -NCGC00163953-03 196728177 tox21-ror-cho-viability-p1 set3 -2.4 64.8164987557 -32.4052510999 2 -30.4052510999 2.9522712143 0.8305686077 0.0039065103 0 2.91235497 7.44065334 2.42459984 1.04836103 2.62375925 7.00127738 -1.78471451 -0.0295158 3.36898833 1.3289472 -4.22947086 0.5377532 -5.10966957 -22.83770925 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00255506-01 196728575 tox21-ror-cho-viability-p1 set3 4 7.6958821542 -7.4160413119 1.5 -5.9160413119 4.9549173134 0.6353744815 0.0737932821 0.04077046 -2.39698417 0.69144138 0.37316297 1.43291799 0.10052473 4.46515804 1.28589584 4.05255996 1.30379547 6.60929811 -3.80098627 -3.07395228 -8.26336776 -5.61032312 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 502-55-6 10404 144212544 F Fc Bis(ethylxanthogen) CCOC(=S)SSC(=S)OCC Tox21_302227 -NCGC00256046-01 196728586 tox21-ror-cho-viability-p1 set3 4 -1.84102529 -3.43142182 1.89887529 -0.80909554 0.27674124 2.27989618 1.34724329 1.39470576 -1.08218716 -1.04465766 -0.22188434 -1.86564052 -1.55882136 -0.76407697 -0.89497546 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47051 18756 144212621 F Fns Ocimene-Limonene mixture C=CC(C)=CC\C=C(\C)C Tox21_302304 -NCGC00256193-01 196728588 tox21-ror-cho-viability-p1 set3 4 1.34239471 0.36282926 0.60138546 5.24223441 0.24444325 5.19444453 -0.24909754 3.02246185 7.89173044 3.80913827 -0.63510387 2.20545156 -0.28609404 1.7154545 0.87611465 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 610-96-8 11895 144212331 A A Methyl 2-chlorobenzoate Clc1ccccc1C(=O)OC Tox21_302014 -NCGC00256290-01 196728596 tox21-ror-cho-viability-p1 set3 4 -2.14334687 16.94449914 19.27197252 18.45907082 18.25948651 8.76662507 3.51452758 12.69944868 5.74420386 3.31016766 5.18881402 13.10683209 7.66893976 12.5680531 0.52790841 1.167E-9 2.609E-9 5.8339999999E-9 1.304E-8 2.917E-8 6.522E-8 1.458E-7 3.261E-7 7.2919999999E-7 0.000001631 0.000003646 0.000008153 0.00001823 0.000040759999999 0.00009115 6228-25-7 80373 144211969 A A 1,3-Dioxane-5,5-diyldimethanol OCC1(CO)COCOC1 Tox21_301652 -NCGC00257546-01 196728991 tox21-ror-cho-viability-p1 set3 4 -0.57227603 2.59849276 -0.00183187 2.23851659 1.08097751 0.53691589 3.46681847 3.73399199 2.54504832 3.11509944 2.95554512 0.43776197 1.3863776 -1.28927156 2.36820964 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1122-58-3 14284 144212501 A N,N-dimethylpyridin-4-amine CN(C)c1ccncc1 Tox21_302184 -NCGC00256228-01 196729004 tox21-ror-cho-viability-p1 set3 4 1.75089173 -4.54222487 -3.91611772 1.32902369 -2.52662721 5.54325255 -3.38249012 -3.76995748 5.55648139 7.55088134 -7.39954541 1.76548549 1.57103303 6.61368757 1.37863083 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2896-70-0 520789 144211586 A A (2,2,6,6-Tetramethyl-4-oxopiperidin-1-yl)oxidanyl [O]N(C(C)(C)C1)C(C)(C)CC1=O Tox21_301269 -NCGC00255788-01 196729009 tox21-ror-cho-viability-p1 set3 4 -4.19731204 -0.7113975 1.13796851 -1.94306105 0.35189458 0.53277871 2.66243552 1.77774561 4.31321546 -1.75770643 3.1334726 -0.37545447 1.24340998 0.55384154 -4.51976117 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59227-89-3 42981 144212074 A A Laurocapram O=C1CCCCCN1CCCCCCCCCCCC Tox21_301757 -NCGC00253708-01 196717888 tox21-ror-cho-viability-p1 set2 4 0.3349145963 -4.77571382 2.5 -2.27571382 4.9549173134 0.5978564808 0.1003467029 0.21312548 2.49031725 1.9123173 0.58541944 0.28043103 2.25733543 4.86268479 7.30335226 -1.4799203 -0.75725448 -1.30987791 -1.52575314 -2.79319373 -3.56309485 -3.0327494 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56326-98-8 91805 170466751 F A 1-(4-Fluorophenyl)-4-oxocyclohexanecarbonitrile Fc1ccc(cc1)C2(CCC(=O)CC2)C#N Tox21_113828 -NCGC00091051-04 196717484 tox21-ror-cho-viability-p1 set2 4 -0.28380971 -0.29548017 -0.51136593 0.31460107 2.49937836 -0.29823797 1.74543909 3.98599677 2.67840431 0.21022407 0.72929973 -0.12095472 0.8997479 0.50133814 -0.08033224 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 150-13-0 978 170466660 A 4-Aminobenzoic acid OC(=O)c1ccc(N)cc1 Tox21_111069_1 -NCGC00159375-04 196717891 tox21-ror-cho-viability-p1 set2 4 3.28068147 -1.29391331 2.89704907 3.935467 2.47632576 3.16014277 6.73223622 4.80033011 1.85854402 2.01411437 2.81307526 4.72600599 3.26334965 2.54365614 3.8861384 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 106-50-3 7814 170466858 Z 1,4-Benzenediamine Nc1ccc(N)cc1 Tox21_111615_1 -NCGC00016667-04 196717905 tox21-ror-cho-viability-p1 set2 4 1.26029879 -1.03055561 -1.70831417 -1.69360911 0.74363484 -3.04472472 -5.47128627 -2.70568271 -0.32132408 1.7743104 2.7971752 -0.47924475 -4.96999086 -2.05048443 -3.80317536 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5987-82-6 6420040 170464771 A Benoxinate hydrochloride Cl.CCN(CC)CCOC(=O)c1cc(OCCCC)c(N)cc1 Tox21_110553_1 -NCGC00163843-03 196717906 tox21-ror-cho-viability-p1 set2 4 -0.56481483 -0.77177346 -1.53920355 -0.38576065 0.4175532 -0.17798718 0.35530198 0.75037613 0.43450273 -5.60612145 -3.45155642 -4.58850245 -4.87016382 -5.56903818 -8.4582973 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00091088-05 196718313 tox21-ror-cho-viability-p1 set2 4 -1.25885103 -1.83408934 1.61494744 -1.37560622 0.08786723 0.81559282 0.10273301 2.58058189 2.06700082 1.20851693 3.09762945 1.40317492 0.55874091 0.90621533 5.27021213 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00256375-01 196718320 tox21-ror-cho-viability-p1 set2 4 -1.09997358 0.92774264 -0.96598239 -2.97022355 -1.54358253 -4.05693763 -3.40403219 -4.45422395 -3.37376881 -3.02940753 -2.69010356 1.59520649 -2.51908811 0.27365095 -3.14659777 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 127-19-5 31374 144213104 A A N,N-Dimethylacetamide CN(C)C(C)=O Tox21_302787 -NCGC00256435-01 196718321 tox21-ror-cho-viability-p1 set2 4 1.15290061 1.77560018 -0.80775457 0 -1.57188956 0.74795953 -5.13906938 -4.72965476 4.90392364 1.10255804 -14.29494909 0.45758353 -0.72452843 0.36485588 0.0677147 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 298-81-7 4114 144213133 A A 8-Methoxypsoralen COc1c3occc3cc2C=CC(=O)Oc12 Tox21_302816 -NCGC00257370-01 196718324 tox21-ror-cho-viability-p1 set2 4 -2.49415385 4.14051868 -2.49511118 1.88756543 2.9002502 1.26522077 0.21703699 -0.85230107 -2.9717668 0.18160589 -0.67476801 2.05008198 0.73661167 1.53558522 0.79667479 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-50-1 7610 144213838 A A 4-Methoxy-2-methylaniline Nc1ccc(OC)cc1C Tox21_303531 -NCGC00257278-01 196718717 tox21-ror-cho-viability-p1 set2 4 -4.33141382 0.06558733 1.1696008 0.78230678 -5.46011387 1.70457805 -3.69910589 -2.94817285 -2.34488889 -1.1847578 -1.31928467 -1.02608295 -2.1530117 -3.42650336 -2.1464116 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18328-90-0 87587 144213757 F Fns N-Ethyl-2-methyl-2-propen-1-amine C=C(C)CNCC Tox21_303447 -NCGC00260533-01 196711685 tox21-ror-cho-viability-p1 set2 4 -13.32975058 -6.61403184 -14.47010986 -12.46465256 -16.54817954 0 -1.02483421 -11.62726113 -27.55327286 -11.89670009 0 0 -17.48311135 -1.40612399 -16.79478432 1.158E-9 2.589E-9 5.7879999999E-9 1.2939999999E-8 2.894E-8 6.472E-8 1.447E-7 3.2359999999E-7 7.235E-7 0.000001618 0.000003618 0.000008089 0.000018089999999 0.00004045 0.00009044 59-87-0 5447130 144210186 F F Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_202988 -NCGC00163906-02 196711682 tox21-ror-cho-viability-p1 set2 -1.4 0.3857077887 -26.6957373856 -4.981381676 -31.6771190616 3.0654483358 0.5299352202 0.2831854839 -3.96533335 -7.69618895 -7.0708606 -11.64073049 -5.74732807 0 0 -10.76655189 -40.4801664 -8.81489541 -54.81381676 -27.18259831 -79.36446953 -5.27823749 -15.00910759 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00357176-01 196711683 tox21-ror-cho-viability-p1 set2 4 -2.10760587 0.15955641 -1.37326332 0.73450029 4.00705206 0.58433599 0.54493643 4.15334622 -1.33094708 3.03274033 0.12757078 2.41607614 -0.6278235 -1.09029353 6.73779735 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-02-7 66726 251919972 A 2,5-Dimethoxybenzaldehyde COc1ccc(cc1C=O)OC Tox21_303938 -NCGC00090952-07 196711684 tox21-ror-cho-viability-p1 set2 4 -11.46016533 -3.16308221 -4.88079991 -6.36138947 -4.54646343 -2.49592926 -2.78426225 -12.48453512 -2.74413178 -4.35942517 -0.49507031 -16.09001232 -8.27734702 -0.31184283 0.37524854 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00259005-01 196709411 tox21-ror-cho-viability-p1 set2 4 -0.22058687 1.23027639 1.39267631 2.03111575 -0.00237482 -0.21633176 3.5248764 -0.89064973 0.73448634 3.27744253 2.63710268 1.08073816 3.80323349 2.7821079 0.49840094 1.1989999999E-9 2.6809999999E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.701E-8 1.4979999999E-7 3.351E-7 7.492E-7 0.000001675 0.000003746 0.000008377 0.00001873 0.00004188 0.00009365 79-77-6 638014 144208652 A Cc beta-Ionone CC=1CCCC(C)(C)C=1/C=C/C(C)=O Tox21_201454 -NCGC00259894-01 196708592 tox21-ror-cho-viability-p1 set2 -1.1 27.1394921295 -65.5365765487 2.4611331439 -63.0754434048 4.0949729863 0.989121038 1.4E-9 -1.36284344 -0.01786396 2.06579857 4.52943623 3.33768238 -1.19282028 5.07375024 3.92739922 1.3628626 4.87943811 3.15115111 2.91259434 -10.16924866 -51.3861318 -65.70358688 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003667 0.000008201 0.00001834 0.000041 0.00009169 123-31-9 785 144209543 A A Hydroquinone Oc1ccc(O)cc1 Tox21_202345 -NCGC00259625-01 196708596 tox21-ror-cho-viability-p1 set2 4 -1.1248305 -3.8776194 -0.1648606 1.57749341 -1.34518295 -0.09962517 1.12257613 -0.02079132 -1.3021385 0.27818703 2.62180132 4.16429147 1.19506332 5.70677732 4.54072944 1.3479999999E-9 3.014E-9 6.74E-9 1.507E-8 3.37E-8 7.535E-8 1.685E-7 3.768E-7 8.425E-7 0.0000018839999999 0.000004212 0.000009419 0.000021059999999 0.0000471 0.0001053 107-13-1 7855 144209274 FNS Acrylonitrile C=CC#N Tox21_202076 -NCGC00259797-01 196708601 tox21-ror-cho-viability-p1 set2 -3 66.1555956376 -39.290654348 1 -38.290654348 4.9549173134 0.9763938825 1.241E-7 1.97655337 -0.02492921 0.01899791 -0.21029466 -0.56547377 2.02560823 -0.18333248 2.46647651 -0.41753632 0.53095697 0.55644824 0.36917793 3.41632432 -0.49054789 -31.07554529 1.1449999999E-9 2.5609999999E-9 5.726E-9 1.28E-8 2.863E-8 6.4019999999E-8 1.431E-7 3.2009999999E-7 7.157E-7 0.0000016 0.000003579 0.000008002 0.00001789 0.00004001 0.00008947 12674-11-2 38037 144209446 F Aroclor 1016 Clc1cc(cc(Cl)c1)c2cccc(Cl)c2 Tox21_202248 -NCGC00259340-01 196709422 tox21-ror-cho-viability-p1 set2 4 0.03623108 1.05062568 -5.43680128 2.42711195 0.63839398 0.35329517 -0.13728233 0.70215792 -0.70275264 -0.93784754 -0.53724968 0.89642159 -0.64392033 -4.26395484 0.53513684 1.1859999999E-9 2.651E-9 5.929E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008286 0.00001853 0.000041429999999 0.00009264 53-86-1 3715 144208989 A A Indomethacin Clc1ccc(cc1)C(=O)n3c2ccc(cc2c(CC(=O)O)c3C)OC Tox21_201791 -NCGC00255441-01 196709827 tox21-ror-cho-viability-p1 set2 4 0.0015355304 9.694716644 -9.694716644 0 4.9549173134 0.4601293121 0.2181182052 -7.66226387 -0.00485136 0.63078046 0.60302324 -0.63491487 0.7100086 -2.73730559 0.72101854 -0.28265899 0.34336805 0.81566127 -1.75531356 6.89785124 -1.41638051 -1.86914418 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 29973-13-5 34766 144211673 A A Ethiofencarb O=C(Oc1ccccc1CSCC)NC Tox21_301356 -NCGC00255140-01 196709830 tox21-ror-cho-viability-p1 set2 4 -3.0125923 -6.74113877 -4.33670273 -8.27693275 -4.86622259 -7.45678383 2.58515874 -6.19034998 2.64563633 2.94858228 -1.76775019 -5.53909237 -7.08227662 -6.81662246 3.42670203 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 31698-14-3 25051 144212132 F A Cyclocytidine N=C2N=C3O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1N3C=C2 Tox21_301815 -NCGC00016618-04 196704877 tox21-ror-cho-viability-p1 set1 4 -1.66780643 -5.50902856 -5.33891331 -3.85125674 -3.81109604 -3.29937004 -0.18858032 -2.14619662 -1.58157194 -1.78881702 2.50756594 -2.94124403 -1.99267732 -0.42767915 -12.59185001 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2773-92-4 9883104 170465516 A Dimethisoquin hydrochloride Cl.CN(C)CCOc2nc(cc1ccccc12)CCCC Tox21_110528_1 -NCGC00090708-05 196704865 tox21-ror-cho-viability-p1 set1 -1.1 5.4482673282 -78.7971847057 -0.048096913 -78.8452816187 4.0449729863 0.9964738024 0 1.15710095 -0.50414378 1.52945124 1.97188648 -2.20879437 2.75385652 -1.31574263 0.3114207 -2.8143633 -2.25822329 -12.67093343 -66.7737402 -78.1484967 -82.72711261 -75.68470836 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00182710-02 196704866 tox21-ror-cho-viability-p1 set1 4 -1.23087851 0.53529116 0.7580155 -2.74137411 2.89969101 -0.41023963 1.3141526 0.89496384 0.87481371 -1.69879401 -1.08889834 1.57078464 0.94761361 -0.63194266 -0.74273247 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 91503-79-6 3395 144206486 ND ND Flurbiprofen axetil Fc2cc(ccc2c1ccccc1)C(C)C(=O)OC(C)OC(C)=O Tox21_113023_1 -NCGC00021202-03 196704868 tox21-ror-cho-viability-p1 set1 4 37.5780357627 8.3332590439 -0.3332590439 8 0.5 0.3236353413 0.351613554 0.98802536 -0.20168038 0.08045941 0.04783465 0.15974588 -4.02771587 1.0988814 -0.93043896 3.91924114 0.23460024 0.82227488 4.7517844 -0.58919157 1.45557252 6.07905086 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 76824-35-6 3325 170464877 I Famotidine N/C(N)=N/c1nc(CSCCC(\N)=N/S(N)(=O)=O)cs1 Tox21_110153_1 -NCGC00159418-05 196704880 tox21-ror-cho-viability-p1 set1 4 33.4914596268 11.17771026 -1.17771026 10 4.9549173134 0.6233475391 0.0823992928 -0.90351393 1.03346681 -3.06475855 -2.80267411 1.22546137 -1.52576787 0.85099272 -2.8588525 -0.84507337 -2.9899032 1.4650929 -1.62530213 1.82070939 -2.53629257 8.60413467 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 37076-68-9 5386 170465809 A Tegafur FC1=CN(C(=O)NC1=O)C2CCCO2 Tox21_111649_1 -NCGC00259043-01 196706043 tox21-ror-cho-viability-p1 set1 4 6.7687745 2.95691864 5.1692135 -9.37736228 1.62934328 3.30196257 3.09989301 -1.54750456 -4.9454735 11.79221532 3.60693879 -0.19422496 4.6173937 0.04162516 0.29228064 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004132 0.0000924 106-14-9 7789 144208690 A A 12-Hydroxyoctadecanoic acid O=C(O)CCCCCCCCCCC(O)CCCCCC Tox21_201492 -NCGC00091775-03 196705621 tox21-ror-cho-viability-p1 set1 -2.2 54.4826732819 -57.6494191224 -3.243767638 -60.8931867604 1.9673362061 0.9427995733 0.0000174925 -3.94782641 -2.54322754 -8.37503333 -7.4897514 -0.73513738 -2.63085442 -1.27627278 -4.62201078 -6.15307503 -3.27355808 -0.38289796 0.92768641 -11.96016284 -22.46894798 -46.50998997 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00258919-01 196705633 tox21-ror-cho-viability-p1 set1 4 -0.04561647 0.32023925 -2.26617022 1.02113921 -0.82576248 0.43066754 2.20705841 0.51640178 -0.60836395 1.40427591 -0.09592701 -0.53680267 -0.12534364 0.93101996 0.1778981 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.613E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.00001848 0.00004133 0.00009242 54-85-3 3767 144208565 A A Isoniazid O=C(NN)c1ccncc1 Tox21_201367 -NCGC00259113-01 196706042 tox21-ror-cho-viability-p1 set1 4 -10.12094996 -8.51214863 -8.04926471 -10.16527765 -11.60423468 -7.59195331 -7.1631803 -4.39375242 -2.34490133 -7.33922244 -14.6493093 -10.99791287 -5.13589537 -2.63583974 -13.53577337 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.324E-8 2.959E-8 6.618E-8 1.4799999999E-7 3.309E-7 7.399E-7 0.0000016539999999 0.0000036989999999 0.000008272 0.0000185 0.00004136 0.00009248 53-03-2 5865 144208762 A A Prednisone OCC(=O)[C@@]3(O)CC[C@H]2[C@@H]4CCC1=CC(=O)C=C[C@]1(C)[C@H]4C(=O)C[C@@]23C Tox21_201564 -NCGC00259472-01 196706045 tox21-ror-cho-viability-p1 set1 4 1.6270280007 -6.646508624 2.5 -4.146508624 4.9549173134 0.4050936764 0.2846122447 -0.15922475 5.24568927 -1.9772011 1.83692814 2.99851217 7.25019303 0.27249819 -1.14716787 6.59269058 -2.83694758 -10.12209052 -6.03526222 1.12649602 -1.01720358 1.59743615 1.363E-9 3.048E-9 6.8149999999E-9 1.524E-8 3.408E-8 7.62E-8 1.704E-7 3.81E-7 8.5189999999E-7 0.000001905 0.00000426 0.000009525 0.0000213 0.000047619999999 0.0001065 15708-41-5 27461 144209121 FNS Ethylenediaminetetraacetic acid ferric sodium salt [Fe+3].[Na+].[O-]C(=O)CN(CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O Tox21_201923 -NCGC00091009-05 196703995 tox21-ror-cho-viability-p1 set1 4 27.5185618656 -21.4927748 2 -19.4927748 1.3987170999 0.7434940916 0.021542597 4.73090996 6.74374967 1.85549548 0.67309736 -6.71546456 -1.63268914 3.4436476 6.89461787 1.1116825 0.68548814 0.9985705 -0.87692826 -5.03906543 -11.06361198 -16.243979 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00260082-01 196703976 tox21-ror-cho-viability-p1 set1 -3 69.4973960317 -114.2783360685 0.628923472 -113.6494125965 4.9549173134 0.9741362607 2.083E-7 1.31185588 0.37065326 -0.11361295 2.09798384 0.83026745 -0.41247279 3.72714095 6.31286886 1.99760067 -0.13590766 4.98386187 -4.9201519 -9.10057813 -3.01338594 -92.39789642 1.193E-9 2.667E-9 5.963E-9 1.333E-8 2.981E-8 6.6669999999E-8 1.491E-7 3.3329999999E-7 7.4539999999E-7 0.0000016669999999 0.0000037269999999 0.000008333 0.00001863 0.00004167 0.00009317 149845-06-7 60934 144209731 A A Saquinavir mesylate CS(=O)(=O)O.NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN4C[C@H]5CCCC[C@H]5C[C@H]4C(=O)NC(C)(C)C Tox21_202533 -NCGC00260655-01 196703987 tox21-ror-cho-viability-p1 set1 4 29.8492948118 -18.742499208 1 -17.742499208 3.2974983358 0.8564611262 0.001865256 0.8854413 1.86345305 -0.20696795 0.46392299 -0.00929939 4.75030872 -0.85913351 2.48027779 -0.92842759 2.47367648 3.1561482 2.2803965 -1.30771229 -3.01107268 -14.36874934 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49551 144210308 M M NTP Mix21 AR2 2-EQP Tox21_203110 -NCGC00260450-01 196703990 tox21-ror-cho-viability-p1 set1 4 0.0015762198 9.632679612 -7.632679612 2 4.9549173134 0.4309631096 0.2626986744 -5.52723301 1.68463784 -0.21873155 1.21539649 0.37009754 -1.32082218 5.12472359 3.1953132 0.81698967 0.99557725 4.47167252 0.02809675 1.57207247 7.13834381 -9.53677811 1.206E-9 2.697E-9 6.0309999999E-9 1.349E-8 3.016E-8 6.743E-8 1.5079999999E-7 3.371E-7 7.539E-7 0.0000016859999999 0.000003769 0.000008429 0.00001885 0.00004214 0.000094239999999 92146-82-2 2737408 144210102 A A tert-Butyl-3-aminobenzoate Nc1cc(ccc1)C(=O)OC(C)(C)C Tox21_202904 -NCGC00260561-01 196703998 tox21-ror-cho-viability-p1 set1 4 -4.20225382 -10.75825791 -8.64773931 -4.15854645 -13.71763057 -7.74950399 -0.2738287 -4.52256589 0.04953651 -11.20523682 0.13751521 -7.93016389 0.83947943 -2.65581078 0.05991261 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49457 144210214 M M NTP Mix69 CT1 62-EQP Tox21_203016 -NCGC00017324-07 196704394 tox21-ror-cho-viability-p1 set1 -2.2 9.4391758155 -60.3071696187 -0.1491355439 -60.4563051626 1.287561 0.9797438516 5.11E-8 0.02203085 -3.45920963 -0.96141812 0.51294685 6.26652635 0.71251327 -3.18412807 -2.30378607 -0.89139353 -0.89859587 -5.91445201 -14.8378119 -32.34081456 -40.83186462 -55.22482909 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79902-63-9 54454 170464984 A Simvastatin CC(C)(CC)C(=O)O[C@H]2C[C@@H](C)C=C3C=C[C@H](C)[C@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@@H]23 Tox21_110696_1 -NCGC00255633-01 196729075 tox21-ror-cho-viability-p1 set3 4 0.98952133 -0.37547586 0.72616731 4.41941069 1.83035711 -2.53062587 -7.68443677 8.99727951 -4.87102489 8.31960048 -3.28699633 12.04641923 1.97463755 -3.99732852 4.3173178 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23778-52-1 90255 144211789 Ac Ac 2,5,8,11,14-Pentaoxahexadecan-16-ol COCCOCCOCCOCCOCCO Tox21_301472 -NCGC00258388-01 196730243 tox21-ror-cho-viability-p1 set3 4 0.15410403 1.49562587 -2.04664767 -1.66048086 -0.72530514 1.06249361 1.43723472 -2.67395488 -2.25130186 -0.50617007 -1.28281499 -5.00275367 -0.20921781 -0.24229259 -5.52211413 1.173E-9 2.622E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.3299999999E-7 0.0000016389999999 0.000003665 0.000008195 0.00001832 0.000040969999999 0.00009162 142-83-6 637564 144208032 FNS (2E,4E)-2,4-Hexadienal C\C=C\C=C\C=O Tox21_200834 -NCGC00258281-01 196730250 tox21-ror-cho-viability-p1 set3 3 78.2912055491 103.4950373708 -1.089464972 102.4055723988 4.9549173134 0.9367316401 0.0000300105 -0.36901793 -5.42720801 -0.09051691 0.40267279 -2.68037865 -7.97824287 0.79372195 2.69987022 -0.37136724 3.65730019 1.67730457 -0.03387722 3.05478837 -10.49122081 81.27997294 1.197E-9 2.676E-9 5.9839999999E-9 1.338E-8 2.992E-8 6.69E-8 1.496E-7 3.345E-7 7.48E-7 0.000001673 0.00000374 0.000008363 0.000018699999999 0.00004181 0.0000935 92-55-7 7097 144207925 A A 5-Nitro-2-furanmethanediol diacetate O=[N+]([O-])c1ccc(o1)C(OC(C)=O)OC(C)=O Tox21_200727 -NCGC00257593-01 196729495 tox21-ror-cho-viability-p1 set3 4 -4.6432967 -1.03346178 -13.35339133 -9.80177322 1.21460006 -8.59690693 0 -12.56103367 -10.64731249 -3.22826461 -1.92017292 0 -3.171241 -1.40104018 1.77759955 1.163E-9 2.602E-9 5.817E-9 1.301E-8 2.909E-8 6.5039999999E-8 1.454E-7 3.252E-7 7.2719999999E-7 0.0000016259999999 0.000003636 0.00000813 0.00001818 0.00004065 0.000090889999999 56-23-5 5943 144207237 Carbon tetrachloride ClC(Cl)(Cl)Cl Tox21_200039 -NCGC00255724-01 196729084 tox21-ror-cho-viability-p1 set3 4 -0.73579001 4.53486048 0.67919174 1.91121509 -1.83555325 -0.98813825 -34.97987696 -0.41837207 1.33072876 -0.60758664 -1.21437117 -2.77678557 -4.52113554 -2.46325011 -4.61842012 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2110-18-1 459494 144212090 A A 2-(3-Phenylpropyl)pyridine C(CCc1ccccn1)c2ccccc2 Tox21_301773 -NCGC00255281-01 196729086 tox21-ror-cho-viability-p1 set3 4 1.59578915 -5.57046943 -1.81755456 -0.12510695 0.25304238 4.63847887 -1.15329207 2.34364534 0.27894707 -4.76491758 0.38219359 0.35433748 3.37380523 0.52943318 1.2837638 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 132-66-1 8594 144212596 A D Naptalam O=C(O)c1ccccc1C(=O)Nc3cccc2ccccc23 Tox21_302279 -NCGC00258072-01 196729497 tox21-ror-cho-viability-p1 set3 4 1.67189166 0.17192948 0.36317308 0.68273107 1.43421034 1.13792183 1.21319143 2.15685628 1.92121689 2.28887036 -0.38854321 -1.04315964 -0.91412908 -2.54202849 -0.46514061 1.137E-9 2.543E-9 5.687E-9 1.2719999999E-8 2.844E-8 6.3579999999E-8 1.422E-7 3.179E-7 7.1089999999E-7 0.00000159 0.0000035539999999 0.000007948 0.000017769999999 0.00003974 0.00008886 95-63-6 7247 144207716 AC Fc 1,2,4-Trimethylbenzene Cc1cc(C)c(C)cc1 Tox21_200518 -NCGC00258616-01 196729500 tox21-ror-cho-viability-p1 set3 4 1.84690893 3.44584324 0.78086688 -1.70718361 4.6281148 3.50766049 -1.88976833 3.32457279 -0.86339125 0.07726774 -0.8041043 0.06428138 0.20413853 1.23016905 -0.70553706 1.165E-9 2.605E-9 5.8259999999E-9 1.303E-8 2.9129999999E-8 6.514E-8 1.457E-7 3.2569999999E-7 7.2829999999E-7 0.000001628 0.000003641 0.000008142 0.00001821 0.00004071 0.00009103 634-93-5 12471 144208261 A A 2,4,6-Trichloroaniline Clc1cc(Cl)cc(Cl)c1N Tox21_201063 -NCGC00090858-02 196729505 tox21-ror-cho-viability-p1 set3 4 21.6899429044 -12.127296964 2 -10.127296964 4.0949729863 0.8059376278 0.0100893767 2.73689591 0.42976447 -0.79533594 2.92897031 -0.03749977 2.36163207 1.4396667 2.03574083 1.78724901 3.30407281 5.25397207 0.81225721 -1.88472586 -9.27274747 -2.42473534 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00258065-01 196729506 tox21-ror-cho-viability-p1 set3 -2.4 38.5315576806 -24.477005296 -2 -26.477005296 1.4641 0.8261627578 0.0043804793 0.13195716 -6.38869496 -0.1902598 0.60675979 -1.5860808 -0.8500931 -2.31627187 -0.77266771 -6.328978 -0.24993597 -7.21189743 -0.78299094 -9.58419029 -13.03436737 -22.06417108 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 842-07-9 5858445 144207709 A A C.I. Solvent Yellow 14 Oc3ccc1ccccc1c3/N=N/c2ccccc2 Tox21_200511 -NCGC00258531-01 196729909 tox21-ror-cho-viability-p1 set3 4 0.03795616 0.34552079 -0.25439429 -0.82299437 0.19685445 0.03379131 0.35375626 -1.57477272 -17.69263929 -6.48541878 -12.33945066 0 3.42759105 8.10127255 1.09057549 1.213E-9 2.7119999999E-9 6.064E-9 1.3559999999E-8 3.0319999999E-8 6.78E-8 1.516E-7 3.39E-7 7.58E-7 0.000001695 0.0000037899999999 0.000008475 0.00001895 0.00004238 0.00009476 91-84-9 4992 144208176 A A Pyrilamine COc1ccc(cc1)CN(CCN(C)C)c2ccccn2 Tox21_200978 -NCGC00258618-01 196729924 tox21-ror-cho-viability-p1 set3 4 -1.60852226 -1.62904353 2.06337566 -1.15404514 4.10076534 3.35634695 -1.47728413 1.84171677 1.25445988 3.25256378 2.77019232 2.98758998 -1.63114134 -0.55855074 -4.18584595 1.212E-9 2.71E-9 6.059E-9 1.3549999999E-8 3.029E-8 6.774E-8 1.515E-7 3.387E-7 7.5729999999E-7 0.000001693 0.000003787 0.000008467 0.00001893 0.00004234 0.00009467 2160-93-2 62430 144208263 A A 2,2'-(tert-Butylimino)diethanol CC(C)(C)N(CCO)CCO Tox21_201065 -NCGC00257870-01 196729926 tox21-ror-cho-viability-p1 set3 4 -2.99412732 1.24989863 0.0248556 -11.21719553 -2.74167508 -12.3289129 -0.01668094 1.16021356 0 -14.68857533 -14.92385612 -11.30286044 0.23917589 3.79416756 5.10214669 1.136E-9 2.54E-9 5.679E-9 1.27E-8 2.8389999999E-8 6.349E-8 1.4199999999E-7 3.175E-7 7.099E-7 0.0000015869999999 0.000003549 0.000007936 0.000017749999999 0.00003968 0.00008873 4170-30-3 20138 144207514 FNS Crotonaldehyde CC=CC=O Tox21_200316 -NCGC00258233-01 196730322 tox21-ror-cho-viability-p1 set3 4 0.69140357 -4.1152546 -0.87187822 -18.26417991 -1.97046949 -0.59094436 -20.25027376 -0.58564734 0 0 0 0 -8.36000294 -7.18213315 -6.20334279 1.173E-9 2.622E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.329E-7 0.0000016389999999 0.000003665 0.000008195 0.00001832 0.000040969999999 0.00009162 329-01-1 9483 144207877 D 1-Isocyanato-3-(trifluoromethyl)benzene O=C=N/c1cc(ccc1)C(F)(F)F Tox21_200679 -NCGC00015705-07 196712936 tox21-ror-cho-viability-p1 set2 4 -0.490321 1.34500657 -3.42428856 -2.99088707 -0.26314399 -1.78984102 -3.20898165 1.33719593 -2.40152209 -1.11538666 0.08524056 -2.47030134 -4.15464668 -0.13313777 4.66960087 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 19982-08-2 4054 170464999 A Memantine hydrochloride CC13CC2(C)CC(N)(C1)CC(C2)C3 Tox21_110199_1 -NCGC00183021-01 196712926 tox21-ror-cho-viability-p1 set2 4 -0.65816458 -1.10704967 -3.66776301 -3.93159964 -4.41953412 -1.71123371 0.03488306 -1.60618926 -3.44392461 -6.10137821 1.61709819 -5.92948004 -0.49652074 -2.06519796 -4.68008419 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 31224-92-7 9570475 144206861 A A Pifoxime O=C(COc1ccc(cc1)C(\C)=N\O)N2CCCCC2 Tox21_113310 -NCGC00167466-02 196712932 tox21-ror-cho-viability-p1 set2 4 8.4126743008 8.215427516 -2.215427516 6 4.9549173134 0.82452863 0.0046503789 -1.81437688 0.39909179 -2.08715623 -2.9775091 -0.2366666 -1.3892795 -2.08362462 -2.23887738 -5.17952293 -2.6950523 -2.89112297 -4.20004437 2.83302076 5.03403179 7.19659293 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13010-47-4 3950 170464967 F Lomustine O=C(NC1CCCCC1)N(CCCl)N=O Tox21_112470_1 -NCGC00178241-04 196712933 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -18.689362396 0.5 -18.189362396 4.9549173134 0.9427319708 0.0000179189 -0.61166657 0.10963735 -1.017399 0.91912893 0.45114227 0.95590172 0.90613393 0.94503361 -0.2833012 1.71499998 1.17003212 -0.57995667 1.7968372 1.03867513 -15.99113533 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14096-51-6 170466890 F Dichloro(ethylenediamine)platinum(II) [Cl-][Pt]1([Cl-])NCCN1 Tox21_113466_1 -NCGC00181340-02 196712942 tox21-ror-cho-viability-p1 set2 4 0.72599639 -0.35272133 1.84474762 0.08505866 3.56894004 3.11293733 -1.98810172 2.5303139 -0.08146857 2.14660953 2.39042829 1.85308726 4.03741381 -0.14135243 0.43822066 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27589-33-9 2273 170465933 A Azosemide NS(=O)(=O)c2cc(c(NCc1cccs1)cc2Cl)c3nnnn3 Tox21_112799_1 -NCGC00164624-02 196712944 tox21-ror-cho-viability-p1 set2 -2.4 29.8492948118 -36.719187928 -1.5 -38.219187928 1.78848746 0.888241693 0.0005600843 -3.3822658 -2.07742285 -1.90168648 0.83834526 -4.3127388 -5.41257847 2.09994165 -1.09546104 -0.14375969 1.53033049 1.49795461 -7.00184293 -6.57431375 -12.61758379 -28.51598994 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 142340-99-6 60871 170464742 A Adefovir dipivoxil CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)COCCn2cnc1c(N)ncnc12 Tox21_112243_1 -NCGC00016395-06 196713339 tox21-ror-cho-viability-p1 set2 4 -0.05278752 0.45317234 -6.23570524 0.43486051 0.10377468 0.28126633 -3.30488033 -3.50027442 0.60384541 -0.58285679 0.71000058 0.66694148 -0.36921129 0.15606802 -4.90555544 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 132-18-3 66063 170464816 A Diphenylpyraline hydrochloride Cl.CN3CCC(OC(c1ccccc1)c2ccccc2)CC3 Tox21_110419_1 -NCGC00021141-05 196713345 tox21-ror-cho-viability-p1 set2 1.4 10.5909294584 31.5492954 -0.0492954 31.5 1.8616924601 0.9938296928 0 0 -1.2910795 1.19345042 1.74888969 -0.13275795 0.09125691 -0.15067854 -0.65506992 -0.88661226 -0.10262914 0.50348169 4.76950455 13.34801304 24.28806464 29.72670368 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1176-08-5 298107 170465477 A Phenyltoloxamine citrate O=C(O)C(O)(CC(=O)O)CC(=O)O.CN(C)CCOc2ccccc2Cc1ccccc1 Tox21_110862_1 -NCGC00167446-02 196713755 tox21-ror-cho-viability-p1 set2 4 -4.5083195 -2.48485297 -6.41693177 1.83379549 1.91492506 -4.92426459 1.86749047 -2.16270945 -6.56142731 -2.8668398 1.38924428 -10.21928411 -7.59973767 -4.78303939 -5.96536238 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 135-07-9 4121 170465243 A Methyclothiazide NS(=O)(=O)c2cc1c(NC(CCl)N(C)S1(=O)=O)cc2Cl Tox21_112450_1 -NCGC00016666-06 196713759 tox21-ror-cho-viability-p1 set2 4 8.56336832 0.70885893 4.70720481 0.29739791 -1.98678384 4.93609956 -0.49236509 -0.48864366 0.16803659 -2.326823 0.16929272 0.79280281 5.85947337 0.01376082 0.18213268 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5985-00-2 6419942 170465806 C Hydrocotarnine hydrobromide Br.CN1Cc2c(OC)c3OCOc3cc2CC1 Tox21_110552_1 -NCGC00181776-02 196713767 tox21-ror-cho-viability-p1 set2 -2.4 0.1333319023 -21.8522121239 1 -20.8522121239 4.9549173134 0.9409102069 0.000020849 1.02499707 -0.9700175 1.07923116 2.30157417 -1.18037055 2.58746981 1.47542514 -15.34307792 -20.82932716 -19.81826979 -21.21010863 -22.16016026 -14.91344782 -20.52612629 -28.21017677 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-37-1 7188 170465709 F Dicyclopentamethylenethiuram disulfide S=C(SSC(=S)N1CCCCC1)N2CCCCC2 Tox21_113156_1 -NCGC00254826-01 196714178 tox21-ror-cho-viability-p1 set2 4 0.73595909 1.80683806 -0.71475784 0.30241681 -3.87177115 2.26520644 2.08684718 -3.91290911 -0.92181727 2.32001831 -2.84868316 -1.40703387 -0.91353196 -1.73650795 2.03110822 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2593-15-9 17432 144211241 A A Etridiazole ClC(Cl)(Cl)c1nc(OCC)sn1 Tox21_300924 -NCGC00259743-01 196706116 tox21-ror-cho-viability-p1 set1 4 35.9227339051 -14.001559436 -3 -17.001559436 4.9549173134 0.5242202128 0.1572329832 -10.40381437 -1.29138131 -4.23752974 -9.55944617 -3.74216537 3.04052376 -4.23161064 -0.76218027 -1.15190477 -3.99634658 7.98999088 -5.38924115 -3.43073065 -16.2013816 -16.25129953 1.483E-9 3.3159999999E-9 7.415E-9 1.658E-8 3.708E-8 8.29E-8 1.854E-7 4.1449999999E-7 9.2689999999E-7 0.000002073 0.000004634 0.000010359999999 0.00002317 0.00005181 0.0001159 32388-55-9 16220111 144209392 A Fc 1-Cedr-8-en-9-ylethanone CC(=O)C=1C[C@]23C[C@@H](C=1C)C(C)(C)[C@@H]3CC[C@H]2C Tox21_202194 -NCGC00163771-03 196706117 tox21-ror-cho-viability-p1 set1 4 -0.39869251 -3.78134606 0.71993845 0.67016277 1.28104958 0.66078006 -0.2879482 -0.49198679 3.49419836 13.11911178 0.45234789 -2.89264275 0.11139948 0.23800564 5.30500356 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00259918-01 196705713 tox21-ror-cho-viability-p1 set1 4 0.02348582 -12.51278038 1.2675425 0.82329609 2.9437886 0.88039684 2.03423648 -0.68920458 -13.72871534 9.07765532 1.93927791 4.75262549 1.56409519 -1.24849161 2.93749687 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004125 0.00009223 1571-08-0 15294 144209567 A A Methyl 4-formylbenzoate COC(=O)c1ccc(cc1)C=O Tox21_202369 -NCGC00091088-05 196706110 tox21-ror-cho-viability-p1 set1 4 4.65387853 6.82775714 1.08147842 2.69880314 3.75814602 3.43040214 2.6110141 -0.65301026 1.30716283 10.88362693 4.40026189 2.47874698 1.87025397 0.85568765 1.57014803 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00091663-03 196706118 tox21-ror-cho-viability-p1 set1 4 -7.85062956 0.09462665 -11.13377602 -11.17854638 -2.43046136 -6.83905375 -1.76586032 -1.52897988 -2.32891022 -7.26931275 6.61059094 2.11505884 -2.77075039 -3.57415782 -5.3172151 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00259886-01 196706120 tox21-ror-cho-viability-p1 set1 -2.2 24.039831058 -38.0344009019 2.22724083 -35.8071600719 1.4780888099 0.8991445293 0.000336209 -0.8646396 0.22562901 -0.67356262 4.51502436 0.04640031 3.19878606 0.55823919 2.03959706 4.10557031 11.82795139 -1.21114977 -6.02030204 -14.08799293 -19.34788189 -33.62723201 1.1679999999E-9 2.6109999999E-9 5.838E-9 1.305E-8 2.919E-8 6.5269999999E-8 1.459E-7 3.2629999999E-7 7.297E-7 0.0000016319999999 0.000003648 0.0000081579999999 0.000018239999999 0.000040789999999 0.000091209999999 2465-27-2 17170 144209535 B D Auramine hydrochloride Cl.CN(C)c1ccc(cc1)C(=N)c2ccc(cc2)N(C)C Tox21_202337 -NCGC00259541-01 196706127 tox21-ror-cho-viability-p1 set1 4 76.0987307785 -24.797274844 3 -21.797274844 4.9549173134 0.4745426604 0.2015121114 2.59315842 2.23932358 2.5464273 0.67576999 8.38176134 0.96624849 0.98505867 -0.69040236 15.04050952 10.67220521 0.42419496 -2.89302132 -2.0657769 2.46144831 -14.83106237 1.1689999999E-9 2.6129999999E-9 5.843E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.461E-7 3.2659999999E-7 7.3029999999E-7 0.0000016329999999 0.000003652 0.0000081649999999 0.00001826 0.000040829999999 0.00009129 103-09-3 7635 144209190 A B 2-Ethylhexyl acetate O=C(C)OCC(CCCC)CC Tox21_201992 -NCGC00259413-01 196706528 tox21-ror-cho-viability-p1 set1 -2.1 54.2057602633 -114.92047588 -1.980131287 -116.900607167 2.1210667061 0.986115586 5.7E-9 -10.37761781 -0.49812668 -1.48974275 -2.08696085 -0.6015258 -2.67661397 -0.33161961 -0.89723733 0.42775999 -1.55341427 -1.1115559 -6.5812282 -15.62702701 -40.23470875 -89.37355288 1.175E-9 2.628E-9 5.875E-9 1.314E-8 2.938E-8 6.569E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.00004106 0.0000918 55406-53-6 62097 144209062 A A 3-Iodo-2-propynyl-N-butylcarbamate O=C(NCCCC)OCC#CI Tox21_201864 -NCGC00259966-01 196706530 tox21-ror-cho-viability-p1 set1 4 1.40590088 -5.00798052 -0.32128541 3.47278532 4.64397797 -0.76275553 -0.54368808 -2.99614732 -4.93901661 5.89187854 1.14124693 1.04416872 0.49378643 1.34281908 3.05813887 1.1509999999E-9 2.5739999999E-9 5.757E-9 1.2869999999E-8 2.878E-8 6.436E-8 1.4389999999E-7 3.218E-7 7.196E-7 0.000001609 0.0000035979999999 0.000008045 0.00001799 0.000040229999999 0.00008995 108-46-3 5054 144209615 A A Resorcinol Oc1cccc(O)c1 Tox21_202417 -NCGC00259180-01 196706942 tox21-ror-cho-viability-p1 set1 -1.1 15.6211492026 -82.8511904468 -5.102556594 -87.9537470408 1.8851180601 0.9514253832 0.0000071682 -3.23226337 -1.20557524 -4.87232469 -17.74880206 -10.79356951 -9.6864917 -1.29005619 -3.56179293 -9.31442828 0 -1.90319659 -20.11922171 -57.2350146 -81.02556594 -75.58829529 1.197E-9 2.676E-9 5.9839999999E-9 1.338E-8 2.992E-8 6.69E-8 1.496E-7 3.345E-7 7.48E-7 0.000001673 0.00000374 0.000008363 0.000018699999999 0.000041819999999 0.0000935 60168-88-9 43226 144208829 A A Fenarimol OC(c1ccccc1Cl)(c2cncnc2)c3ccc(Cl)cc3 Tox21_201631 -NCGC00159417-06 196706944 tox21-ror-cho-viability-p1 set1 -2.2 49.6956931991 -69.2517012631 1.1520681079 -68.0996331552 2.7202212143 0.9411504793 0.000020365 5.10709855 5.64266361 2.75564034 -0.76083629 4.92983741 -6.05367983 -0.24197903 0.70149559 -8.06526937 6.20686956 -0.72155289 1.7671909 -3.45825806 -26.5656435 -57.27244936 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00015060-14 196706951 tox21-ror-cho-viability-p1 set1 4 -2.76946861 -4.65089386 -10.17240996 -10.59671328 -3.29834694 -7.78960127 1.27825087 1.8663238 -6.69992571 -20.13098526 3.37517076 -4.24635935 -1.06393816 -0.29578427 3.68319299 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00164594-02 196705235 tox21-ror-cho-viability-p1 set1 4 -3.81360183 -4.56179888 5.79075564 4.23444675 1.28316963 1.22510416 2.2017576 4.49323459 -3.32322646 3.23168499 1.44952506 18.72623626 1.57556661 1.69694049 -5.05771144 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82034-46-6 444025 170465195 A Loteprednol etabonate O=C(OCCl)[C@@]4(OC(=O)OCC)CC[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_112219_1 -NCGC00182030-01 196705225 tox21-ror-cho-viability-p1 set1 4 0.0053080386 -4.1710593599 3.5 -0.6710593599 3.5117481694 0.4353180604 0.2601547039 1.03773526 2.18498321 8.07414751 -1.7267781 -0.36707135 -1.61141229 -0.22122593 -1.06057522 -1.92132984 -2.2258828 0.23688683 -0.9863084 1.17117133 0.85849153 6.90506901 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 28002-18-8 45357485 144206509 B B Sulbenicillin disodium [Na+].[Na+].O=C([O-])[C@@H]2N3C(=O)[C@@H](NC(=O)[C@@H](c1ccccc1)S([O-])(=O)=O)[C@H]3SC2(C)C Tox21_112956 -NCGC00253726-01 196705226 tox21-ror-cho-viability-p1 set1 4 4.42115452 0.75302038 0.38358807 0.64647458 0.97595824 1.8209357 1.75171561 -4.63839719 0.13119903 -1.53436521 4.07846819 5.5060765 1.13226493 0.09861432 -4.52056446 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21228-13-7 30530 170466641 A F Dorastine Cc1ccc(cn1)CCn3c4ccc(Cl)cc4c2CN(C)CCc23 Tox21_113845 -NCGC00167505-02 196705231 tox21-ror-cho-viability-p1 set1 4 33.4914596268 9.861751608 -1.361751608 8.5 4.5044702849 0.616607085 0.0875483275 -2.90899482 0.45363358 -2.95401032 -3.87442537 -4.46812634 0.42769928 -0.27566633 -0.30529004 -3.05945111 -1.41499614 -1.42519786 0.70406829 0.15118451 -0.39081077 6.68818171 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 144143-96-4 5282474 170465071 A Eprosartan mesylate OC(=O)C(/Cc1cccs1)=C/c3cnc(CCCC)n3Cc2ccc(cc2)C(=O)O.CS(=O)(=O)O Tox21_112186_1 -NCGC00164578-02 196705238 tox21-ror-cho-viability-p1 set1 4 0.43969076 0.63796009 0.29743126 -0.63076366 -0.01133432 -0.09563399 -2.51307879 0.34800915 -0.4871225 -0.64382474 -0.91490557 0.11659331 0.24218851 -3.21540912 5.22255433 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 202409-33-4 123619 170465621 A Etoricoxib CS(=O)(=O)c1ccc(cc1)c3cc(Cl)cnc3c2cnc(C)cc2 Tox21_112206_1 -NCGC00259508-01 196705639 tox21-ror-cho-viability-p1 set1 4 -11.36001689 -5.23270838 -7.81699461 -20.68293407 -1.59071988 0.15566091 -3.9061452 0.90109665 -10.95488014 0 0.40269344 -11.81463197 -11.08535501 0.69636087 -5.60199274 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.000003688 0.000008248 0.00001844 0.00004124 0.000092209999999 12108-13-3 60196372 144209157 A F (Methylcyclopentadienyl)tricarbonylmanganese [Mn+].[C-]#[O+].[O+]#[C-].CC1C=[C-]C=C1.[O+]#[C-] Tox21_201959 -NCGC00259500-01 196705643 tox21-ror-cho-viability-p1 set1 4 -7.65586243 -6.10262966 -6.34707231 -10.70762272 -1.1709014 0.09603734 -9.17049849 -8.06171313 0.99106755 0 -4.91088339 -9.7443626 -2.63127264 -1.83036872 2.3113371 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.593E-8 1.474E-7 3.297E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009214 25057-89-0 2328 144209149 A A Bentazone CC(C)N1C(=O)c2ccccc2NS1(=O)=O Tox21_201951 -NCGC00259905-01 196705644 tox21-ror-cho-viability-p1 set1 4 57.0411883003 -14.78171186 0 -14.78171186 3.9899729863 0.4267621528 0.2467451348 4.01359086 6.1069542 -0.2680448 3.44695514 -0.2874464 0.06156072 0.19666186 0.0018965 -12.57722569 2.71346498 -0.24814845 -0.88153933 0.63180604 -3.45612411 -13.15142655 1.226E-9 2.742E-9 6.131E-9 1.371E-8 3.065E-8 6.854E-8 1.5329999999E-7 3.4269999999E-7 7.663E-7 0.0000017139999999 0.000003832 0.000008568 0.00001916 0.00004284 0.00009579 930-55-2 13591 144209554 A A N-Nitrosopyrrolidine O=NN1CCCC1 Tox21_202356 -NCGC00255875-01 196701101 tox21-ror-cho-viability-p1 set1 4 1.19960853 0.19922045 2.71854445 0.19343299 0.52019115 1.15964038 0.06891248 0.94887172 1.60373999 1.68485443 -0.23575231 0.50251522 0.12460769 4.37677411 -5.47228496 1.0499999999E-9 2.3479999999E-9 5.25E-9 1.174E-8 2.6249999999E-8 5.869E-8 1.312E-7 2.935E-7 6.562E-7 0.000001467 0.000003281 0.0000073369999999 0.00001641 0.00003668 0.00008203 83121-18-0 91734 144211765 A B Teflubenzuron Clc2cc(NC(=O)NC(=O)c1c(F)cccc1F)c(F)c(Cl)c2F Tox21_301448 -NCGC00090885-03 196700696 tox21-ror-cho-viability-p1 set1 4 2.58512625 4.09301241 -2.09850347 1.42445476 1.22546213 1.79019612 3.15812794 6.05518639 4.43237565 2.28979978 3.67926603 0.06363411 3.29724016 0.70540281 -1.06980213 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00256159-01 196700697 tox21-ror-cho-viability-p1 set1 4 29.8492948118 -21.198208844 0.5 -20.698208844 2.9022712143 0.9703882249 4.595E-7 -0.42220555 1.0754051 0.4621446 0.20342983 0.09435529 1.35070378 -0.33245848 0.10633405 0.92938443 1.46188833 -0.16251571 2.31097243 -0.62761028 -4.94284448 -15.99850737 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 8014-17-3 144211607 Petitgrain oil Tox21_301290 -NCGC00257628-01 196715427 tox21-ror-cho-viability-p1 set2 4 69.2178691585 10.2322010719 -1.2322010719 9 2.9522712143 0.5327817547 0.153293559 0.52809816 -1.11018041 -3.80933664 -6.86016756 -1.30599739 -1.10195089 -0.51102762 -1.15347263 -0.03977389 -0.05453084 -0.89571594 -2.14383781 -0.35598313 0.64356801 5.87199218 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.9719999999E-8 6.6449999999E-8 1.486E-7 3.3219999999E-7 7.429E-7 0.0000016609999999 0.000003714 0.0000083059999999 0.00001857 0.00004153 0.00009286 79-34-5 6591 144207272 A Ac 1,1,2,2-Tetrachloroethane ClC(Cl)C(Cl)Cl Tox21_200074 -NCGC00255012-01 196715004 tox21-ror-cho-viability-p1 set2 4 -1.85821155 3.75080917 3.19945717 3.54246317 3.51160899 -0.3803204 1.39134331 -1.80810569 -0.98273161 1.64560831 2.75183531 2.05735135 0.25221519 2.34867369 2.0644026 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 26225-79-6 33360 144211429 Ac Ac Ethofumesate CS(=O)(=O)Oc1cc2c(cc1)OC(OCC)C2(C)C Tox21_301112 -NCGC00254327-01 196715015 tox21-ror-cho-viability-p1 set2 4 61.130564862 -33.62204996 -3 -36.62204996 0.2 0.3516307763 0.3180074575 -16.03434214 0.99060594 -4.44789313 -3.79087343 -13.46510297 -4.65972238 -16.29784598 -16.85638108 -14.35099481 -17.07080994 -12.38555089 -2.82559577 -13.98591887 -22.61870151 -27.6017083 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86479-06-3 91741 144210729 A Hexaflumuron Clc1cc(cc(Cl)c1OC(F)(F)C(F)F)NC(=O)NC(=O)c2c(F)cccc2F Tox21_300411 -NCGC00258619-01 196715417 tox21-ror-cho-viability-p1 set2 4 1.53058187 3.34237351 -0.12221599 2.98587512 3.17767569 2.62247468 0.2130469 1.1807938 7.06858019 3.16898845 -0.38390275 3.96598406 -0.5758419 3.37090583 2.76738644 1.167E-9 2.61E-9 5.836E-9 1.305E-8 2.918E-8 6.524E-8 1.459E-7 3.262E-7 7.294E-7 0.000001631 0.0000036469999999 0.0000081549999999 0.000018239999999 0.00004078 0.00009118 112-24-3 5565 144208264 Triethylenetetramine NCCNCCNCCN Tox21_201066 -NCGC00258273-01 196715433 tox21-ror-cho-viability-p1 set2 4 1.7989817 0.74783783 1.71381942 0.29426423 0.7939618 1.26123417 1.06303545 -0.39139456 -0.85660729 2.80730426 2.33643043 2.64422053 -0.81318665 -0.03326157 1.61972932 1.189E-9 2.66E-9 5.9469999999E-9 1.3299999999E-8 2.9739999999E-8 6.649E-8 1.487E-7 3.325E-7 7.4339999999E-7 0.000001662 0.0000037169999999 0.000008312 0.00001859 0.00004156 0.00009293 103-83-3 7681 144207917 A Ac N,N-Dimethylbenzylamine CN(C)Cc1ccccc1 Tox21_200719 -NCGC00257971-01 196715440 tox21-ror-cho-viability-p1 set2 4 -0.80315778 0.02131806 0.03463951 1.45712505 0.6512668 0.38253509 0.70094951 -0.38953081 -5.14682065 -1.47662707 -4.84448015 -7.53843993 -0.48502049 -0.39116908 -0.74983246 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.96E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 2809-21-4 3305 144207615 A Ac Etidronic acid CC(O)(P(O)(=O)O)P(=O)(O)O Tox21_200417 -NCGC00258776-01 196715832 tox21-ror-cho-viability-p1 set2 4 11.9494959695 -13.6603717759 0.5 -13.1603717759 1.826479391 0.8799601381 0.0007991945 2.30714188 2.38234845 -0.00100865 -2.29622639 -1.41702457 -0.17697884 1.27230583 1.18957191 0.8865906 -2.66520669 -1.18971338 -2.10783304 -10.86693679 -9.67861969 -13.46697648 1.16E-9 2.594E-9 5.7999999999E-9 1.297E-8 2.9E-8 6.485E-8 1.45E-7 3.2419999999E-7 7.2499999999E-7 0.000001621 0.000003625 0.000008106 0.000018129999999 0.00004053 0.000090629999999 108-88-3 1140 144208422 FNS Toluene Cc1ccccc1 Tox21_201224 -NCGC00258744-01 196715844 tox21-ror-cho-viability-p1 set2 4 -2.45547726 -1.6362738 -0.82402559 0.68415085 -1.45499642 -2.69312617 -1.56374765 -1.79538442 -1.54638599 -1.92500118 -0.67643995 1.2700114 0.02022265 -1.06804525 -2.26454781 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9569999999E-8 6.613E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003697 0.000008266 0.00001848 0.00004133 0.000092409999999 7779-30-8 5371084 144208390 C Bc 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1-penten-3-one CC1(C)CCC=C(C)C1/C=C/C(=O)CC Tox21_201192 -NCGC00255797-01 196710458 tox21-ror-cho-viability-p1 set2 4 -18.0528903 0.53036947 -3.1907932 -2.92345801 -1.272289 -13.19892695 -14.69439363 -15.88116825 -1.43814336 -13.50287193 -1.37934129 -1.89436483 -3.6447473 -2.70507086 -2.40300864 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14611-52-0 26758 144212163 A A Selegiline hydrochloride Cl.C#CCN(C)[C@H](C)Cc1ccccc1 Tox21_301846 -NCGC00255492-01 196710055 tox21-ror-cho-viability-p1 set2 4 -1.95207798 -2.94164373 -5.86218631 -5.91170352 -6.93179475 -6.16339114 -0.9320967 -6.45378279 -1.54956152 -0.16608411 -4.71119968 1.23869976 0.28260317 -0.04652589 0.18150044 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 118-69-4 8368 144212366 Ac Fc 2,6-Dichlorotoluene Clc1cccc(Cl)c1C Tox21_302049 -NCGC00256204-01 196710455 tox21-ror-cho-viability-p1 set2 4 3.66543243 -0.04075797 0.31495623 1.89504934 -0.3190469 -0.5329328 0.01263392 0.66207363 0.55199154 0.28055295 0.48192197 1.07173368 0.67403456 0.46436613 4.87917511 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 469-61-4 442348 144212622 Ac Fns alpha-Cedrene CC1=CC[C@]23CC1C(C)(C)[C@@H]3CC[C@H]2C Tox21_302305 -NCGC00091499-05 196710456 tox21-ror-cho-viability-p1 set2 4 -5.61612174 1.52300155 -0.26012567 -1.73145355 -0.74418701 0.98993088 1.11781633 0.09973039 -0.9443815 -0.99432348 -2.27935656 -2.13383456 -1.99991566 -1.90560012 1.69119036 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00255528-01 196710462 tox21-ror-cho-viability-p1 set2 4 -1.78739785 0.40400823 1.23070681 2.82050227 0.03055828 0.3355429 -1.24734291 2.75513602 -0.25854 -0.4138216 1.61848687 1.1329068 -1.44563198 -0.49286619 2.68658536 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6358-64-1 22833 144212042 A A 2,5-Dimethoxy-4-chloroaniline COc1cc(N)c(cc1Cl)OC Tox21_301725 -NCGC00256712-01 196707780 tox21-ror-cho-viability-p1 set1 4 -11.30638942 0.97995788 -7.76371021 -6.74293038 -2.71046576 -15.28853186 -5.64047975 -8.74831126 -8.39383946 -9.97473686 -12.11799102 -7.81702033 -10.49894458 -12.62248439 -4.27533566 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17283-81-7 519382 144212983 A Ac Dihydro-beta-ionone CC=1CCCC(C)(C)C=1CCC(C)=O Tox21_302666 -NCGC00257422-01 196707774 tox21-ror-cho-viability-p1 set1 4 4.47090286 2.42582428 5.53197447 8.58660617 1.24610773 0.8292589 0.0960543 5.93978397 1.62140692 1.74283182 0.52550671 5.65311559 5.54351505 2.29561617 10.08273847 2.0059999999E-10 4.485E-10 1.003E-9 2.242E-9 5.014E-9 1.1209999999E-8 2.507E-8 5.6059999999E-8 1.253E-7 2.803E-7 6.267E-7 0.000001401 0.0000031339999999 0.0000070069999999 0.00001567 75-62-7 6383 144213840 Bromotrichloromethane BrC(Cl)(Cl)Cl Tox21_303534 -NCGC00257017-01 196707778 tox21-ror-cho-viability-p1 set1 4 -3.78494121 -6.84561824 -9.48142656 -10.29447518 -10.1650673 -13.10251428 -3.35364268 -11.36227251 -10.83354201 -16.40874231 -13.93805266 -4.07966088 -8.28228759 -4.70602066 -7.84458505 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14371-10-9 637511 144213588 D (2E)-3-Phenylprop-2-enal O=C\C=C\c1ccccc1 Tox21_303271 -NCGC00257245-01 196708186 tox21-ror-cho-viability-p1 set1 4 2.63194669 -0.21794419 3.7040931 -2.02109754 -5.30907018 0.32006439 5.518181 -2.05619007 -0.10565217 6.1764155 -0.22275093 0.46317843 -0.75074132 0.60138415 0.09796024 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2304-30-5 75311 144213793 A A Tetrabutylphosphonium chloride [Cl-].CCCC[P+](CCCC)(CCCC)CCCC Tox21_303484 -NCGC00257391-01 196708188 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -17.380772252 1.5 -15.880772252 4.9549173134 0.8077476249 0.0068368265 1.44633814 -0.92299943 -1.95344404 2.65072211 1.38323293 1.66150627 1.90273378 3.1275624 4.48713684 -0.75302696 0.96058192 -0.81343986 2.72742803 0.76933462 -12.81731021 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2440-22-4 17113 144213883 A A 2-(2H-Benzotriazol-2-yl)-4-methylphenol Cc1cc(c(O)cc1)n2nc3ccccc3n2 Tox21_303578 -NCGC00163927-04 196708193 tox21-ror-cho-viability-p1 set1 4 0.88058676 -8.88277585 -6.1520711 -24.67036365 -13.84783636 0.46428274 -2.15221444 -19.79903484 -6.91865968 -16.55296817 -24.35310177 -0.65748133 -7.92796638 -6.33931861 0.25754499 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00257060-01 196708201 tox21-ror-cho-viability-p1 set1 4 0.0013685429 7.569360776 -6.569360776 1 4.9549173134 0.4433435728 0.2377639926 -4.64113398 2.28729362 1.18072439 0.45909328 0.95957356 -0.41134138 -0.32106825 0.1408354 0.47408024 -0.32639008 1.18573845 -0.74549113 0.93805804 2.12712719 5.79634639 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-70-6 6549 144213354 A A Linalool CC(O)(C=C)CC\C=C(\C)C Tox21_303037 -NCGC00258935-01 196708607 tox21-ror-cho-viability-p1 set2 4 0.79599833 -8.40788391 -2.4606874 2.23206482 -1.46078685 -1.60254787 -4.03159603 -1.4903847 -0.8085415 0.11610361 -0.24928424 -1.2465415 0.76898809 -0.04310888 3.47529519 1.195E-9 2.671E-9 5.973E-9 1.336E-8 2.986E-8 6.678E-8 1.493E-7 3.3389999999E-7 7.466E-7 0.000001669 0.000003733 0.000008347 0.00001867 0.00004174 0.000093329999999 15687-27-1 3672 144208582 A A Ibuprofen CC(C(=O)O)c1ccc(CC(C)C)cc1 Tox21_201384 -NCGC00257731-01 196702829 tox21-ror-cho-viability-p1 set1 4 7.88698625 2.7428184 1.92451706 4.95847335 2.88303936 1.60610022 1.88534363 8.28569202 8.0872725 5.24365082 7.03864409 2.02806083 0.35459514 3.78140161 -1.60700604 1.1689999999E-9 2.615E-9 5.8459999999E-9 1.3069999999E-8 2.9229999999E-8 6.536E-8 1.462E-7 3.268E-7 7.308E-7 0.0000016339999999 0.0000036539999999 0.0000081709999999 0.00001827 0.00004085 0.000091349999999 110-96-3 8085 144207375 FNS Diisobutylamine CC(C)CNCC(C)C Tox21_200177 -NCGC00258435-01 196702810 tox21-ror-cho-viability-p1 set1 4 55.2592762104 13.629855252 -4.629855252 9 4.5044702849 0.4746913032 0.2021345836 -2.73476193 -0.41133873 -5.99786384 -11.05772156 -8.77568352 -1.62477379 -11.35821271 -2.18697971 -0.95974127 -4.49667032 -1.6955483 -3.63998285 -3.72856676 -1.78076145 8.01479835 1.194E-9 2.6689999999E-9 5.968E-9 1.335E-8 2.9839999999E-8 6.6729999999E-8 1.4919999999E-7 3.3359999999E-7 7.4599999999E-7 0.000001668 0.00000373 0.0000083409999999 0.00001865 0.0000417 0.000093249999999 102-28-3 7604 144208079 A B 3-Aminoacetanilide O=C(C)Nc1cccc(N)c1 Tox21_200881 -NCGC00257915-01 196702813 tox21-ror-cho-viability-p1 set1 4 -11.15836879 -11.57583426 -13.28829131 -10.34672769 -11.80994249 -16.67696003 -19.70717584 -13.27774754 -12.37838575 -19.5195399 -14.98382777 -17.00365316 -18.4521407 -11.91970776 -8.94543737 1.154E-9 2.5799999999E-9 5.7689999999E-9 1.29E-8 2.884E-8 6.449E-8 1.4419999999E-7 3.225E-7 7.211E-7 0.000001612 0.000003605 0.0000080619999999 0.00001803 0.00004031 0.000090129999999 78-38-6 6534 144207559 A A Diethyl ethylphosphonate O=P(CC)(OCC)OCC Tox21_200361 -NCGC00091663-03 196702824 tox21-ror-cho-viability-p1 set1 4 0.25406964 -1.16870032 2.69143772 2.16496128 -7.68737871 1.92117758 3.6092111 -10.66476933 -12.21032982 -0.64503812 -12.90097614 -22.31409817 0.91130047 0.48840197 2.0022682 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00260676-01 196703226 tox21-ror-cho-viability-p1 set1 -2.4 77.2719803999 -25.467126836 -3.5 -28.967126836 0.7999999999 0.7238708811 0.0284325703 -4.05812791 -4.0848894 -7.24976398 -4.18438779 -3.76391238 0.60172127 -5.77258434 -3.10340551 -2.74166735 -7.93060243 -4.91164125 -6.38926805 -3.28630636 -15.35297968 -20.80593903 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004136 0.00009247 78-30-8 6527 144210181 A A Tri-o-cresyl phosphate Cc3ccccc3OP(=O)(Oc1ccccc1C)Oc2ccccc2C Tox21_202983 -NCGC00163927-04 196706905 tox21-ror-cho-viability-p1 set1 4 1.66902147 0.61960904 0.29913228 -1.03207666 -1.17175289 0.10357372 3.5049221 3.98920598 -2.18009407 11.48823639 4.13346743 -0.24477268 1.19071662 0.07078195 6.15859647 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00260003-01 196706897 tox21-ror-cho-viability-p1 set1 4 0.0077585351 -7.5680547959 7 -0.5680547959 4.9549173134 0.4553320625 0.2203758091 6.56910976 5.53960324 8.07435022 -4.26511368 4.72448557 -0.49771274 2.53549062 -4.73132099 -5.05671233 4.38970868 -0.0456535 -0.28306356 1.51452399 -3.46204143 -3.60896161 1.188E-9 2.657E-9 5.942E-9 1.3289999999E-8 2.971E-8 6.6429999999E-8 1.4849999999E-7 3.3219999999E-7 7.427E-7 0.0000016609999999 0.000003714 0.000008304 0.00001857 0.00004152 0.00009284 6846-50-0 23284 144209652 A A 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate O=C(OC(C(C)C)C(C)(C)COC(=O)C(C)C)C(C)C Tox21_202454 -NCGC00260006-01 196706899 tox21-ror-cho-viability-p1 set1 4 1.22759287 2.33560725 0.42525015 -0.82900794 1.53378335 -0.05135529 -0.94521979 0.44531732 -10.04974389 7.74192345 1.08659591 -0.6686213 0.84536968 0.967299 5.9811001 1.196E-9 2.674E-9 5.9789999999E-9 1.337E-8 2.9899999999E-8 6.685E-8 1.4949999999E-7 3.3419999999E-7 7.4739999999E-7 0.000001671 0.000003737 0.000008356 0.000018679999999 0.000041779999999 0.00009342 1118-46-3 14236 144209655 A Butyltin trichloride CCCC[Sn](Cl)(Cl)Cl Tox21_202457 -NCGC00259697-01 196706901 tox21-ror-cho-viability-p1 set1 4 5.93699197 -1.33683236 -1.1588159 -7.06259584 2.02058047 0.81010512 -0.990086 -0.19876228 7.69254447 0 1.12794862 0.23782805 2.0945837 -0.45906121 -0.47633606 1.162E-9 2.599E-9 5.812E-9 1.2999999999E-8 2.9059999999E-8 6.4979999999E-8 1.453E-7 3.249E-7 7.265E-7 0.000001624 0.000003632 0.000008122 0.00001816 0.00004061 0.000090809999999 13547-70-1 83572 144209346 D 1-Chloro-3,3-dimethyl-butan-2-one CC(C)(C)C(=O)CCl Tox21_202148 -NCGC00260228-01 196703598 tox21-ror-cho-viability-p1 set1 4 -3.12952627 -11.67796508 0.02899769 -14.88113932 -7.41839696 -11.09408644 -12.02882443 -7.11840218 -16.3740148 -3.01146249 -1.50157294 -13.30921512 0.78492544 -9.73676407 -3.70576626 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.961E-8 6.622E-8 1.481E-7 3.311E-7 7.4029999999E-7 0.000001655 0.000003702 0.0000082769999999 0.00001851 0.00004138 0.00009254 13311-31-4 15932798 144209878 A A 1-Butyl-2-methylpyridinium iodide [I-].Cc1cccc[n+]1CCCC Tox21_202680 -NCGC00258578-01 196702757 tox21-ror-cho-viability-p1 set1 4 1.14737741 2.8040816 0.06243634 -1.41507768 -6.74456034 0.79090765 -8.70439583 3.30140006 -6.44655527 0.1417659 0.05497816 0.97191219 -0.45526579 -4.99520359 -2.74619555 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.6E-8 1.476E-7 3.3E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.00004125 0.000092239999999 95-78-3 7259 144208223 A A 2,5-Dimethylaniline Cc1cc(N)c(C)cc1 Tox21_201025 -NCGC00260201-01 196703176 tox21-ror-cho-viability-p1 set1 -2.2 26.9454243393 -33.510623788 0.5 -33.010623788 1.5385888099 0.9353139666 0.0000338874 1.01390928 0.8227949 -1.15877928 -0.91910024 -5.95609323 1.56530926 4.84077553 -0.56751206 3.03242513 0.20619449 -0.52428952 -5.29041441 -11.58682378 -19.91386643 -30.84218649 1.167E-9 2.609E-9 5.8339999999E-9 1.305E-8 2.917E-8 6.523E-8 1.459E-7 3.261E-7 7.2929999999E-7 0.000001631 0.000003646 0.000008153 0.00001823 0.00004077 0.000091159999999 61545-99-1 60196376 144209851 F F 1-Methyl-3-octylimidazolium bromide Br.CN1C=CN(CCCCCCCC)C1 Tox21_202653 -NCGC00260551-01 196703589 tox21-ror-cho-viability-p1 set1 4 -4.19732084 1.51706316 -3.55220688 -2.91076443 -2.49329398 1.87462373 -2.22007892 2.85845147 -6.30394997 -1.3244164 0.04610257 -2.10407682 -0.633747 -4.2505003 3.7562433 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49447 144210204 M M NTP Mix59 CT1 62-EQP Tox21_203006 -NCGC00260412-01 196703600 tox21-ror-cho-viability-p1 set1 4 0.10059298 -0.30513528 -5.50818786 -2.5274255 1.33584494 -5.7757284 0.18486463 2.92769808 1.39970853 1.69991089 -2.38117196 -3.43296463 -4.85893027 -2.14321301 -5.04164452 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.486E-7 3.3239999999E-7 7.4319999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.0000929 6940-78-9 81364 144210064 F 1-Bromo-4-chlorobutane BrCCCCCl Tox21_202866 -NCGC00357092-01 196703604 tox21-ror-cho-viability-p1 set1 4 -3.67248921 -4.07218252 -1.98222977 -0.17220847 -8.330136 -4.8416917 -6.14624699 -3.06119836 1.22747189 -5.1213954 2.81088838 -4.34109797 -3.56149834 -2.92848615 -2.86244353 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 763-29-1 22468 251919941 Fns 2-Methylpent-1-ene C=C(C)CCCC Tox21_303811 -NCGC00357096-01 196703607 tox21-ror-cho-viability-p1 set1 4 7.6958821542 4.6944052959 -0.6944052959 4 4.9549173134 0.3182006196 0.3526448519 3.36315646 2.30250235 -1.8804191 -1.88442396 -8.07867108 -0.73739907 2.4049519 0.10848983 0.8307413 -2.72813044 -2.63135565 2.39553791 6.60878944 0.11472426 5.38911392 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 452-58-4 9956 251919901 Fns 2,3-Diaminopyridine Nc1cccnc1N Tox21_303818 -NCGC00260322-01 196703609 tox21-ror-cho-viability-p1 set1 4 1.2602735703 13.5461726319 -0.5461726319 13 0.7999999999 0.8063253373 0.0100497412 -1.70514386 -1.1219046 -0.63681479 -1.61498539 -1.66731414 0.22373576 0.81885902 0.47791669 3.56421299 1.13840829 -0.25503676 4.19222219 4.84903573 9.38696709 0.76967166 6.819E-11 1.525E-10 3.409E-10 7.624E-10 1.7049999999E-9 3.812E-9 8.524E-9 1.906E-8 4.2619999999E-8 9.5299999999E-8 2.131E-7 4.7649999999E-7 0.000001065 0.000002382 0.000005327 590-29-4 2735122 144209973 Formic acid, potassium salt [K+].[O-]C=O Tox21_202775 -NCGC00260399-01 196704004 tox21-ror-cho-viability-p1 set1 4 1.34046985 -0.88530737 -2.42921709 -0.27074347 -7.2291434 -9.84977222 -2.43015815 0.64671527 2.35222724 -3.31124627 -7.26060735 -3.41268252 -0.10203546 -1.83163123 -2.43181868 1.185E-9 2.649E-9 5.923E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 600-22-6 11748 144210051 C Methylpyruvate CC(=O)C(=O)OC Tox21_202853 -NCGC00260542-01 196704012 tox21-ror-cho-viability-p1 set1 4 2.71296838 -0.68592832 2.68216057 -1.10305714 -0.67430081 0.28435361 1.01047164 2.91770097 8.28288133 -0.57150258 -0.92114563 -1.91702845 11.12649719 3.29657264 3.90719988 5.869E-11 1.312E-10 2.9349999999E-10 6.562E-10 1.467E-9 3.2809999999E-9 7.3359999999E-9 1.64E-8 3.6679999999E-8 8.2019999999E-8 1.834E-7 4.101E-7 9.171E-7 0.000002051 0.000004585 2437-56-1 17095 144210195 F Fns 1-Tridecene C=CCCCCCCCCCCC Tox21_202997 -NCGC00091499-05 196719670 tox21-ror-cho-viability-p1 set3 4 15.3553036427 -12.939799068 12.5 -0.439799068 1.92824246 0.365019536 0.3052863 13.87184475 10.80979118 13.57863707 11.04073026 14.95400579 13.26510244 0 15.76007961 5.0418744 26.52052545 13.29969173 5.09415716 7.95176093 -0.78316589 0.31279332 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00015277-17 196725766 tox21-ror-cho-viability-p1 set3 4 -0.82657509 -3.58019573 4.48351148 -0.23813698 -0.21503184 -0.89548705 -3.05499652 -1.1738362 -4.9984557 -5.7035254 -3.77398535 -1.30860736 -1.22767497 -0.83988526 0.3624396 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 28657-80-9 2762 170465414 A Cinoxacin O=C(O)C2=NN(CC)c1cc3OCOc3cc1C2=O Tox21_110121_1 -NCGC00160563-02 196725770 tox21-ror-cho-viability-p1 set3 4 0.0298492948 9.926416436 -4.926416436 5 2.2481167061 0.4376623429 0.235889179 -0.28389303 -3.39347801 -12.85534703 -3.90381102 -1.41131112 -1.08437815 4.53438315 10.2847191 -0.58198924 1.88663251 0.11095828 4.36114701 -0.19246213 17.34142618 6.87520619 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 541-79-7 10944 170466293 F Carbocloral OC(NC(=O)OCC)C(Cl)(Cl)Cl Tox21_111902_1 -NCGC00255059-01 196720094 tox21-ror-cho-viability-p1 set3 4 61.0684034629 -10.807932408 4 -6.807932408 1.92824246 0.3814664396 0.2921843204 0.96448491 7.18756584 -1.98914385 6.83272178 2.98090204 2.7452166 5.91191602 6.11007226 1.61629129 4.46745426 7.98232531 4.94272165 0.41238295 1.51315299 -4.00661034 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 60-51-5 3082 144211478 A C Dimethoate COP(=S)(OC)SCC(=O)NC Tox21_301161 -NCGC00254808-01 196720076 tox21-ror-cho-viability-p1 set3 4 4.94485693 3.63470609 2.78854967 3.92294809 3.21312182 5.20283313 5.64085297 8.79975434 0.75804653 8.12709824 -2.8162101 1.67869288 8.64714643 12.8670541 -0.28863307 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 74115-24-5 73670 144211221 A C Clofentezine Clc3ccccc3c1nnc(nn1)c2ccccc2Cl Tox21_300904 -NCGC00254564-01 196720093 tox21-ror-cho-viability-p1 set3 4 0.0216899429 13.271135836 -15.271135836 -2 0.4 0.54223781 0.1589959536 -11.10878956 -13.97594653 -7.59824338 -8.29453142 -9.70464373 -10.89546069 -4.93982873 -4.0384012 -2.40307096 -6.15692204 0.21334321 -4.428621 -1.10332902 -8.68970842 -29.42473593 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2971-36-0 76302 144210973 A A 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane Oc1ccc(cc1)C(c2ccc(O)cc2)C(Cl)(Cl)Cl Tox21_300656 -NCGC00091468-02 196720485 tox21-ror-cho-viability-p1 set3 4 98.5627881858 -18.40700532 -2 -20.40700532 0.4 0.3710521961 0.3012502932 -4.01929354 -9.78383763 0.49448175 -5.01016215 1.6299762 -1.84619969 -5.89678393 -4.87357552 -4.80767182 -3.89771621 -5.29806071 -4.97712048 -6.34418735 -15.3391711 -9.13854963 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00259552-01 196720901 tox21-ror-cho-viability-p1 set3 4 -6.00349102 1.07240461 -3.65923623 -1.10012791 -3.61197346 -2.13884893 -3.83134595 -5.80658266 -5.96129226 -3.52697258 -4.6322331 -3.35211852 0.48890497 1.96381229 3.62208278 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.00004119 0.000092099999999 94-96-2 7211 144209201 A A 2-Ethyl-1,3-hexanediol CCCC(O)C(CC)CO Tox21_202003 -NCGC00258894-01 196720902 tox21-ror-cho-viability-p1 set3 4 0.0023423699 14.513826076 -15.013826076 -0.5 2.3331733767 0.7380248866 0.0301052335 -12.51152173 -8.0944364 -1.04595329 0.43020153 -0.94851595 -6.33954508 1.56215872 -1.57053287 2.41947356 1.09242048 -1.414213 -2.012531 1.22263472 -0.16752833 -6.58453152 1.1429999999E-9 2.555E-9 5.713E-9 1.277E-8 2.857E-8 6.3869999999E-8 1.428E-7 3.194E-7 7.141E-7 0.000001597 0.000003571 0.000007984 0.00001785 0.00003992 0.000089269999999 577-11-7 23673837 144208540 A A Docusate sodium [Na+].O=S(=O)([O-])C(CC(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC Tox21_201342 -NCGC00259785-01 196720903 tox21-ror-cho-viability-p1 set3 4 -4.70183148 -6.26192395 -2.69970678 0.85213537 1.43986501 -0.77430561 -7.68093471 -9.40590239 -10.116173 -3.9316474 -7.4404893 -6.36163302 -6.13039583 -3.1957071 -0.96636043 1.469E-9 3.284E-9 7.3429999999E-9 1.642E-8 3.672E-8 8.21E-8 1.836E-7 4.105E-7 9.179E-7 0.0000020529999999 0.0000045899999999 0.00001026 0.00002295 0.00005131 0.0001147 24615-84-7 90558 144209434 D 2-Carboxyethyl acrylate O=C(O)CCOC(=O)C=C Tox21_202236 -NCGC00091261-03 196720912 tox21-ror-cho-viability-p1 set3 4 -3.54584894 -2.52388734 -4.14094223 -1.61191152 0.45058197 -4.21038603 -0.98662733 -2.53588254 -4.97577174 0.64817377 -4.36349007 -1.61163454 -0.10683441 -0.37581758 1.20798146 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00259953-01 196720918 tox21-ror-cho-viability-p1 set3 4 -7.19528647 -6.83840593 -5.11670079 1.33373612 -2.88332598 -3.18115733 -5.3244494 -3.10368798 -6.4965393 -1.04413249 -3.47252672 -2.27235797 -5.43662511 -1.7902877 -0.14252742 1.1839999999E-9 2.647E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.618E-8 1.4799999999E-7 3.309E-7 7.399E-7 0.000001655 0.0000037 0.0000082729999999 0.0000185 0.00004136 0.000092489999999 112-34-5 8177 144209602 A A 2-(2-Butoxyethoxy)ethanol CCCCOCCOCCO Tox21_202404 -NCGC00090760-08 196711713 tox21-ror-cho-viability-p1 set2 4 1.49062171 3.5519888 1.5645281 3.89521229 1.00758931 3.38249117 2.10620433 1.73146725 4.28522288 2.78346458 7.32909774 6.27563821 1.20818481 -0.30321965 0.21007783 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00181750-01 196717513 tox21-ror-cho-viability-p1 set2 3 33.4914596268 55.3897550031 2.4300410469 57.81979605 4.9549173134 0.9736732095 2.31E-7 1.72397845 0.3542809 0.40798374 5.27553371 3.02506955 6.37630758 3.34347546 4.46317276 1.26443019 1.56870029 0.96398827 4.1192116 0.21129497 5.69876646 50.9108845 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 113981-44-5 6918222 144206474 A B Cefozopran hydrochloride Cl.CO\N=C(/c1nc(N)sn1)C(=O)N[C@@H]5C(=O)N4C(C([O-])=O)=C(C[n+]3ccn2ncccc23)CS[C@@H]45 Tox21_112921 -NCGC00091575-03 196717913 tox21-ror-cho-viability-p1 set2 4 1.80890875 1.14196518 -0.01395199 3.89480998 6.67786626 6.18308344 7.37038245 3.78371602 0.46045236 0.59643738 1.99006369 3.45752092 2.91103709 1.16935748 1.39300518 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-96-2 7211 170465521 F 2-Ethyl-1,3-hexanediol CCCC(O)C(CC)CO Tox21_111152_1 -NCGC00258902-01 196712120 tox21-ror-cho-viability-p1 set2 -1.2 4.3145127378 -42.6942087934 0.163969831 -42.5302389624 0.9999999999 0.9395398817 0.00002355 1.05948448 -2.15463961 -0.82615905 4.32224187 0.76487303 1.46860074 -1.53607043 -11.78991128 -0.00017782 -12.37047175 -18.74432637 -30.14989982 -39.03805982 -32.52926062 -38.95198866 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.000091989999999 70-30-4 3598 144208548 A A Hexachlorophene Clc2c(Cc1c(O)c(Cl)cc(Cl)c1Cl)c(O)c(Cl)cc2Cl Tox21_201350 -NCGC00164127-03 196711721 tox21-ror-cho-viability-p1 set2 -2.1 61.130564862 -103.7435962962 4.128244823 -99.6153514732 3.2474983358 0.9846988106 0.0076680893 0.60433429 0.02590162 0.80898597 2.44950609 2.46699503 -32.54991 3.52222104 8.54224176 6.15180496 4.81611169 4.19136481 9.31741303 2.19797389 -17.66779686 -78.11769051 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00260559-01 196712117 tox21-ror-cho-viability-p1 set2 4 -7.80151337 -18.76200331 -14.59990857 -7.44737639 -2.28719888 -2.88942006 -1.53172973 -11.13283536 -22.2799878 -1.58888398 -9.81206622 -11.9201839 -9.40190082 -5.77386641 -8.44749308 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49455 144210212 M M NTP Mix67 CT1 62-EQP Tox21_203014 -NCGC00065890-05 196712543 tox21-ror-cho-viability-p1 set2 4 1.0590929458 -6.39134406 0 -6.39134406 4.9549173134 0.4687050202 0.2252456291 2.17574307 2.85792332 1.01394355 -1.04787288 1.7864104 -7.9374282 0.18239081 0.45884959 -1.7283009 -1.03868326 -9.07612005 -7.76449482 -6.92176361 -1.77826389 -2.51698398 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 129618-40-2 4463 170464869 A Nevirapine O=C3Nc1c(C)ccnc1N(C2CC2)c4ncccc34 Tox21_110982_1 -NCGC00016896-06 196712546 tox21-ror-cho-viability-p1 set2 4 2.14142927 0.43245345 -0.75259861 0.25710947 1.4662052 -1.1908122 -1.68785953 -0.6606372 -2.53861072 0.09674807 2.07592915 -1.40186346 1.17365021 -3.16582661 2.05819954 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60719-84-8 3698 170465367 Z Amrinone NC1=CC(=CNC1=O)c2ccncc2 Tox21_112110_1 -NCGC00179658-04 196712548 tox21-ror-cho-viability-p1 set2 4 0.2113168243 -9.4831669519 3.5 -5.9831669519 0.5 0.5854041869 0.1234784125 0.29038068 5.95396197 0.0701475 6.41931851 -0.22691382 -0.44573189 -1.2526194 -1.12819592 0.1751494 -0.85270068 -5.14353072 -7.48597246 -1.72695537 -5.59623253 0.03746913 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 152-72-7 54676537 170465636 A Acenocoumarol [O-][N+](=O)c1ccc(cc1)C(CC(C)=O)C2=C(O)c3ccccc3OC2=O Tox21_110430_1 -NCGC00249925-01 196712948 tox21-ror-cho-viability-p1 set2 4 -2.57166328 -0.34528102 0.4871701 -4.32238231 -3.74755006 -3.9377269 -2.70606236 -4.5297055 0.07229579 -0.10922289 -6.04733263 0.35520053 -1.94762969 -5.66958021 -8.14986272 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 180200-68-4 159271 170466033 A F Tilmacoxib Cc2nc(C1CCCCC1)c(o2)c3ccc(c(F)c3)S(N)(=O)=O Tox21_113701 -NCGC00162247-06 196712950 tox21-ror-cho-viability-p1 set2 4 0.1883363179 -5.334442504 4 -1.334442504 3.0654483358 0.3886455558 0.2841213046 3.21660912 3.47191039 -0.64614413 0.35666781 11.54599869 0.6620944 9.50439289 0.02888759 0.38934878 -1.40313768 -1.71020601 1.20272532 -2.07917999 -2.22312017 -3.61203542 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 152-02-3 5359371 170465778 A Levallorphan Oc3ccc4C[C@H]1N(CC[C@@]2(CCCC[C@@H]12)c4c3)CC=C Tox21_112005_1 -NCGC00188429-02 196704891 tox21-ror-cho-viability-p1 set1 4 4.43878445 3.98800362 4.46122961 3.24347332 1.89823677 0.60790436 0.87005196 1.19231384 0.10113954 2.43617355 2.20086783 0.96364999 -1.47729308 3.74211389 0.3737898 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 114607-46-4 2006 170466060 A Acitazanolast O=C(O)C(=O)Nc1cccc(c1)c2nnnn2 Tox21_113173_1 -NCGC00255692-01 196709869 tox21-ror-cho-viability-p1 set2 4 -2.17456883 -2.09144666 -1.51974735 0.00170072 -2.85839943 0.8463793 -1.23871669 0.69339745 -2.33559464 -0.92894385 0.5979328 -2.42304483 -2.70698608 -2.87217926 -6.53921337 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3337-62-0 76857 144212273 A A 3,5-Dibromo-4-hydroxybenzoic acid Brc1cc(cc(Br)c1O)C(=O)O Tox21_301956 -NCGC00259276-01 196706140 tox21-ror-cho-viability-p1 set1 4 2.58770063 0.22185849 10.82132399 0.47191567 -0.33612176 3.45054143 0.20389636 2.92600104 5.47489344 14.90738926 3.44878138 -1.14474599 4.61829784 2.31176447 1.30636602 1.171E-9 2.618E-9 5.8529999999E-9 1.3089999999E-8 2.927E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.317E-7 0.0000016359999999 0.000003658 0.0000081809999999 0.00001829 0.0000409 0.00009146 463-40-1 5280934 144208925 A A Linolenic acid O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC Tox21_201727 -NCGC00263541-01 196704908 tox21-ror-cho-viability-p1 set1 4 5.57114164 1.46526413 0.52028371 -0.53759625 2.67111312 -0.67142215 2.41765367 2.06175434 -0.10991098 -0.41129096 4.68721731 1.39213503 -0.24178743 1.17901598 -0.91421384 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98769-84-7 127150 170465620 A Reboxetine mesylate CS(=O)(=O)O.CCOc3ccccc3O[C@H](c1ccccc1)[C@H]2CNCCO2 Tox21_110964_1 -NCGC00259235-01 196706135 tox21-ror-cho-viability-p1 set1 4 48.5083571201 -19.9479888079 0 -19.9479888079 3.0654483358 0.577902639 0.1134313326 -1.83055181 0.37302334 -0.06934402 2.03769851 1.86277729 0.58803428 2.59558183 1.1815421 -2.84116779 8.08565635 -12.01757379 0.69459312 0.38601341 -8.04400045 -17.45665734 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 427-51-0 9880 144208884 A A Cyproterone acetate CC(=O)[C@@]4(OC(C)=O)CC[C@H]3[C@@H]5C=C(Cl)C2=CC(=O)[C@@H]1C[C@@H]1[C@]2(C)[C@H]5CC[C@@]34C Tox21_201686 -NCGC00259245-01 196706142 tox21-ror-cho-viability-p1 set1 4 1.46726287 3.58757312 -1.41583766 6.52505298 5.80498973 0.87852299 -1.51494197 2.12221676 0.16407977 15.84515825 -0.05486043 1.76517898 -8.91912308 -0.48858672 1.39662923 1.183E-9 2.645E-9 5.913E-9 1.322E-8 2.9569999999E-8 6.611E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.0000082639999999 0.00001848 0.00004132 0.0000924 5131-60-2 21209 144208894 A B 4-Chloro-1,3-diaminobenzene Nc1ccc(Cl)c(N)c1 Tox21_201696 -NCGC00259444-01 196706156 tox21-ror-cho-viability-p1 set1 4 0.0193115248 13.36448692 -13.86448692 -0.5 4.9549173134 0.6367192741 0.0721919807 -17.8037391 -7.43868686 -13.31107965 -15.28266491 1.66340085 2.85418989 -7.98746358 -2.70255557 -3.43063092 0 -5.17862384 -4.37564607 4.33650653 2.67019765 5.41968244 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.9479999999E-8 6.591E-8 1.474E-7 3.295E-7 7.369E-7 0.000001648 0.000003684 0.000008239 0.00001842 0.00004119 0.00009211 90-72-2 7026 144209093 A Fns 2,4,6-Tris(dimethylaminomethyl)phenol Oc1c(cc(cc1CN(C)C)CN(C)C)CN(C)C Tox21_201895 -NCGC00259981-01 196706552 tox21-ror-cho-viability-p1 set1 4 3.49325692 3.91045827 -0.98768697 -1.68515915 3.15941406 3.33207748 1.66407161 0.83424915 1.55166485 11.47866014 0.11752273 3.21948702 3.21170152 0.8721334 3.11100279 1.1839999999E-9 2.648E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.619E-8 1.4799999999E-7 3.309E-7 7.4E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.0000925 4075-81-4 19999 144209630 A Ac Calcium propionate [Ca+2].CCC(=O)[O-].[O-]C(=O)CC Tox21_202432 -NCGC00259900-01 196706570 tox21-ror-cho-viability-p1 set1 4 55.0372028519 -25.69006202 4 -21.69006202 2.2481167061 0.5425026401 0.141597604 1.79426814 1.2705553 1.27914431 2.83509694 5.41778486 -5.34051399 3.37797473 1.32145724 12.27278002 16.55764404 5.00739039 4.46113201 -0.09546433 -4.022419 -15.99171835 1.19E-9 2.6619999999E-9 5.9519999999E-9 1.331E-8 2.976E-8 6.655E-8 1.4879999999E-7 3.3269999999E-7 7.44E-7 0.0000016639999999 0.00000372 0.000008319 0.0000186 0.00004159 0.000093 80-46-6 6643 144209549 A A 4-(2-Methylbutan-2-yl)phenol Oc1ccc(cc1)C(C)(C)CC Tox21_202351 -NCGC00257115-01 196706971 tox21-ror-cho-viability-p1 set1 4 -0.29094621 0.41742186 1.78202374 3.02306637 0.12229175 -1.36405022 2.63662788 3.48743839 4.54709373 1.19543953 1.76719978 0.9212037 5.46161619 0.59655855 6.57008555 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 4131-74-2 77781 144213592 A A Dimethyl 3,3'-thiodipropionate COC(=O)CCSCCC(=O)OC Tox21_303275 -NCGC00257326-01 196706982 tox21-ror-cho-viability-p1 set1 4 -9.20511117 2.00149549 -5.86444157 -2.84100021 -4.98667907 -10.70542826 2.48320301 2.09918131 -6.59933108 -9.26058004 -9.27295282 -10.69793246 -7.72757042 -8.67439807 -8.20122032 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_48507 60196436 144213661 A A PharmaGSID_48507 Cl.CC(C)(O)CNc1ncc3c(n1)N(C)C(=O)C=C3Oc2ccc(F)cc2F Tox21_303344 -NCGC00257420-01 196706985 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -14.9514361 2 -12.9514361 4.9549173134 0.6381923227 0.0720117537 -1.36807176 1.49073993 3.91772091 0.16085108 3.89714045 3.99800692 0.24315668 1.23039824 5.31623559 -1.15174186 0.40878255 -0.56141926 6.0189902 2.28221309 -10.37619675 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-40-5 1752 144213950 A A 4-Nonylphenol Oc1ccc(CCCCCCCCC)cc1 Tox21_303647 -NCGC00091532-04 196704427 tox21-ror-cho-viability-p1 set1 -2.4 69.4274967035 -30.2831998199 -0.5 -30.7831998199 4.9549173134 0.9270698099 0.0000642146 0.60609691 -3.30687505 -2.20172447 0.02096128 0.00362406 2.03227048 -2.57371996 -0.03905727 1.63599875 -2.2371762 -1.66186435 -2.72577354 -0.58411722 -0.28583256 -25.23599985 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00164534-02 196704436 tox21-ror-cho-viability-p1 set1 4 2.239752 0.18185619 4.50845982 0.0434822 4.1916422 0.27080356 2.76295407 4.28791495 2.84239921 2.31917858 -0.07687675 -0.62856239 3.93840711 0.21529417 0.22933559 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98-67-9 4765 170465916 Ac 4-Phenolsulfonic acid Oc1ccc(cc1)S(O)(=O)=O Tox21_112165_1 -NCGC00094580-04 196704835 tox21-ror-cho-viability-p1 set1 4 -3.15204801 -0.82677961 -0.06893853 -2.58447 5.58349729 0.14065275 -0.42530963 1.20452727 -0.00315705 0.4250637 0.67299099 -2.86982115 -1.00596722 4.36662914 5.37375444 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 315-30-0 2094 170464935 A Allopurinol Oc2ncnc1nncc12 Tox21_110082_1 -NCGC00017258-08 196704840 tox21-ror-cho-viability-p1 set1 4 1.75497011 -1.6065376 -4.16583017 -2.41493747 1.75202456 -2.21940619 -1.1846605 -0.14707705 0.3018454 -3.34482448 1.30885268 0.11106999 1.16201148 0.24353691 -1.84268106 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 113-42-8 8226 170465383 A Methergine CC[C@@H](CO)NC(=O)[C@@H]2C=C1c3cccc4ncc(C[C@H]1N(C)C2)c34 Tox21_110809_1 -NCGC00160640-03 196704842 tox21-ror-cho-viability-p1 set1 4 0.421632496 -2.9307496199 2.5 -0.4307496199 3.5117481694 0.3382233947 0.336621992 0.46156862 0.43458607 1.96158224 0.47681846 1.2114763 6.05571195 5.45500677 4.37235535 0.89672405 0.13400315 -0.41197633 -4.94229135 1.40299137 0.42079577 0.2056032 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84379-13-5 107926 170466570 A Bretazenil CC(C)(C)OC(=O)c1ncn3c1[C@@H]4CCCN4C(=O)c2c3cccc2Br Tox21_111947_1 -NCGC00181300-01 196704844 tox21-ror-cho-viability-p1 set1 4 26.6032120037 -11.4351682999 1 -10.4351682999 3.5722481694 0.7983241271 0.0084724718 0.93063809 3.31381111 2.34596157 0.35821344 -1.12095306 1.31231283 -1.12094159 2.78488726 0.96878767 -1.10461958 1.6600405 1.74420505 1.74686059 -2.60246672 -9.11264025 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 752-56-7 92140 144206329 A A Riboflavin tetrabutyrate CCCC(=O)OC[C@@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@@H](OC(=O)CCC)CN2C3=NC(=O)NC(=O)C3=Nc1cc(C)c(C)cc12 Tox21_112776 -NCGC00182082-03 196704847 tox21-ror-cho-viability-p1 set1 4 1.18666146 1.40810193 -0.27133199 0.53041446 -2.52906067 4.31070324 -2.78976638 4.08741958 1.30864793 1.95249932 -0.2530373 -4.63388019 -2.75785 3.36580312 0.79484558 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 251565-85-2 57823090 170466025 A Tesaglitazar O=S(C)(=O)Oc1ccc(cc1)CCOc2ccc(C[C@@H](OCC)C(=O)O)cc2 Tox21_113248_1 -NCGC00182037-01 196704848 tox21-ror-cho-viability-p1 set1 4 0.67569154 -0.7853145 -0.62764386 -1.20664525 0.50557376 0.65866419 0.78157909 1.14618935 0.34332048 4.49815561 -0.81768709 1.08988034 1.16555269 -0.02325857 1.09238035 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 74258-86-9 71992 144206457 A A Alacepril O=C(N[C@@H](Cc1ccccc1)C(=O)O)[C@@H]2CCCN2C(=O)[C@H](C)CSC(C)=O Tox21_112904 -NCGC00159376-04 196704852 tox21-ror-cho-viability-p1 set1 4 0.0627421 0.19369732 -0.37889884 1.23660217 1.09399006 -0.8374712 1.07038122 -0.62145274 -0.10775671 2.59788996 1.61070642 0.60178322 2.17483368 -0.17201658 1.69261063 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 99-76-3 7456 170465480 A Methylparaben Oc1ccc(cc1)C(=O)OC Tox21_111616_1 -NCGC00164549-02 196705270 tox21-ror-cho-viability-p1 set1 4 0.2896992 1.19812456 4.98078122 -0.50378453 2.03055444 1.2240597 -0.61548447 -3.32234562 0.20856625 0.3718832 -0.29593947 0.0428538 2.3434627 0.72030936 0.05389135 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 115256-11-6 71329 170465418 A Dofetilide CS(=O)(=O)Nc1ccc(cc1)CCN(C)CCOc2ccc(cc2)NS(C)(=O)=O Tox21_112178_1 -NCGC00259990-01 196705667 tox21-ror-cho-viability-p1 set1 4 69.4274967035 -14.909512204 1 -13.909512204 4.0949729863 0.383653598 0.2885193369 -0.48892729 -2.37866415 0.704196 6.33574984 -0.19827681 -3.21524848 -3.06260505 -3.06190947 2.287313 9.94527959 4.23548349 0.77498729 -0.70447901 -0.57808549 -10.34126017 1.1919999999E-9 2.6659999999E-9 5.96E-9 1.333E-8 2.98E-8 6.664E-8 1.49E-7 3.332E-7 7.45E-7 0.0000016659999999 0.000003725 0.00000833 0.00001863 0.000041649999999 0.00009313 68-26-8 445354 144209639 FNS Retinol CC=1CCCC(C)(C)C=1/C=CC(\C)=C\C=C\C(\C)=C\CO Tox21_202441 -NCGC00260512-01 196703620 tox21-ror-cho-viability-p1 set1 4 3.39692783 -2.08718379 -4.08026378 2.4102359 -8.5134146 -7.28988086 -4.47585377 2.01640831 2.10600486 -1.1819328 -3.12588472 1.24582305 -0.44001894 -4.05119773 1.32237293 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.00004125 0.000092249999999 20535-83-5 65275 144210164 A A O6-Methylguanine COc1nc(N)nc2ncnc12 Tox21_202966 -NCGC00259044-01 196722103 tox21-ror-cho-viability-p1 set3 4 -3.55582334 -0.31861524 -1.89696973 -7.94153396 -5.41473494 -8.6389423 -3.19941585 -1.11081352 -3.1339757 -7.00988506 0.19642592 -3.67689051 -4.73638172 -2.9625542 -1.41384154 1.171E-9 2.618E-9 5.8549999999E-9 1.3089999999E-8 2.927E-8 6.546E-8 1.464E-7 3.2729999999E-7 7.3179999999E-7 0.0000016359999999 0.0000036589999999 0.000008182 0.0000183 0.000040909999999 0.00009148 135-20-6 2724103 144208691 F Cupferron [NH4+].O=NN([O-])c1ccccc1 Tox21_201493 -NCGC00259862-01 196721724 tox21-ror-cho-viability-p1 set3 4 -3.58210149 -2.23836949 -0.81517698 5.96416631 -1.76548248 -2.60695271 -3.39402264 -1.98110928 -2.018982 0.66413303 -3.3401373 0.25646941 -1.05748686 6.02211094 1.68314639 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.000018429999999 0.0000412 0.000092129999999 99-56-9 5111791 144209511 A A 4-Nitro-1,2-phenylenediamine Nc1ccc(cc1N)[N+]([O-])=O Tox21_202313 -NCGC00259597-01 196721725 tox21-ror-cho-viability-p1 set3 4 -6.47419702 -5.49387608 -4.64373036 -0.08857361 -5.31251395 -6.44702982 -5.60899377 -7.24821628 -5.61800154 -4.9878448 -6.41036858 -6.24625988 -4.74541028 2.0560583 -0.98933629 1.19E-9 2.661E-9 5.95E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003719 0.000008315 0.00001859 0.00004157 0.000092959999999 109-55-7 7993 144209246 AC F 3-(Dimethylamino)propylamine NCCCN(C)C Tox21_202048 -NCGC00259008-01 196722105 tox21-ror-cho-viability-p1 set3 4 -7.90278228 -5.42758169 -4.57578647 1.49273747 -4.54544476 -5.27966343 -6.21601929 -6.19073171 -5.16760128 -4.23317364 -5.48422013 -4.49225275 -5.92691564 -2.89691884 -3.13319004 1.157E-9 2.5879999999E-9 5.7869999999E-9 1.2939999999E-8 2.8929999999E-8 6.4699999999E-8 1.447E-7 3.235E-7 7.233E-7 0.000001617 0.000003617 0.0000080869999999 0.000018079999999 0.00004043 0.00009041 86-30-6 6838 144208655 I N-Nitrosodiphenylamine O=NN(c1ccccc1)c2ccccc2 Tox21_201457 -NCGC00259634-01 196722104 tox21-ror-cho-viability-p1 set3 4 -7.23714975 -1.33610861 1.54227217 1.06989618 -3.57154817 -4.61045569 -5.50463267 -2.88534202 -5.06516968 -2.54571356 -4.1298322 1.64840863 -4.46300505 -0.27451228 2.09675505 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004136 0.00009247 142-84-7 8902 144209283 FNS Dipropylamine CCCNCCC Tox21_202085 -NCGC00259494-01 196722106 tox21-ror-cho-viability-p1 set3 4 -10.12089995 -4.67305951 -2.70533095 4.2526896 0.64032993 1.82535381 -9.7406397 -8.63182282 -7.30759185 1.63730143 -4.64403154 -2.38785587 -0.66499998 1.37007563 1.89951329 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.3169999999E-8 2.9459999999E-8 6.587E-8 1.4729999999E-7 3.2929999999E-7 7.364E-7 0.0000016469999999 0.0000036819999999 0.000008234 0.000018409999999 0.00004117 0.00009206 99-55-8 7444 144209143 A A 2-Methyl-5-nitroaniline Cc1ccc(cc1N)[N+]([O-])=O Tox21_201945 -NCGC00259429-01 196722119 tox21-ror-cho-viability-p1 set3 4 -2.69129688 -2.81436868 1.2936436 3.62947628 -2.09933438 -0.31505604 3.61620825 1.03836382 3.16187418 -0.91422244 -0.14834448 -1.26959912 1.78284251 2.18758218 1.95961569 1.173E-9 2.6229999999E-9 5.865E-9 1.312E-8 2.933E-8 6.558E-8 1.466E-7 3.279E-7 7.3319999999E-7 0.0000016389999999 0.0000036659999999 0.000008197 0.00001833 0.00004098 0.00009165 81-07-2 5143 144209078 A A Saccharin O=C2NS(=O)(=O)c1ccccc12 Tox21_201880 -NCGC00178944-03 196722515 tox21-ror-cho-viability-p1 set3 2.4 29.8492948118 32.504319972 2.495680028 35 3.9294729863 0.7681950516 0.0145173621 -1.2601093 -1.60700172 1.03261292 0.17464624 1.4694314 -2.08693331 3.5902391 -0.91966341 10.47352059 8.6598525 7.11110736 6.47942135 0.9868144 9.34837406 29.98046576 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69-53-4 6249 170464831 D Ampicillin OC(=O)[C@@H]2N3C(=O)[C@@H](NC(=O)[C@H](N)c1ccccc1)[C@H]3SC2(C)C Tox21_113049_1 -NCGC00018221-08 196718409 tox21-ror-cho-viability-p1 set2 4 -5.84480185 -4.30724097 -1.60099417 -5.75720871 -14.62253432 -4.738819 -1.53295195 0.26348992 -2.16340467 -5.75943076 -0.74670506 -0.2943172 -6.6889254 0.66114008 0.35527653 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.331E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00015385-18 196717998 tox21-ror-cho-viability-p1 set2 4 1.1883218301 -13.06561068 0.5 -12.56561068 0.8999999999 0.9097571738 0.0001940785 0.34193132 2.44861924 -0.06242514 -2.61577508 2.6446254 0.08376769 -1.91415463 -3.11803005 -0.32355277 -5.47641428 -6.27145856 -9.94292952 -11.73378095 -10.81311939 -12.1380089 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-32-2 3108 170464694 A Dipyridamole OCCN(CCO)c2nc1c(nc(nc1c(n2)N3CCCCC3)N(CCO)CCO)N4CCCCC4 Tox21_110133_1 -NCGC00015656-12 196718008 tox21-ror-cho-viability-p1 set2 4 -7.60455915 -4.68571156 -6.42763846 -1.60169736 -1.20674464 -2.32445663 -0.24340128 -2.69965351 -0.16518893 -1.78725228 -0.93159776 -0.15779413 -4.24292354 -1.1788209 -0.66277224 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 24219-97-4 4184 170465596 A Mianserin CN1CC2N(CC1)c4ccccc4Cc3ccccc23 Tox21_110191_1 -NCGC00256399-01 196718407 tox21-ror-cho-viability-p1 set2 4 -1.39380804 -4.28611122 0.09185906 -7.22909656 -8.59795201 -3.24255386 0.37361859 0.78722833 -4.06464721 -0.64594014 -2.82853576 -2.44380004 -0.67011925 1.33577907 -2.99383225 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 563-80-4 11251 144213173 Fns 3-Methyl-2-butanone CC(C)C(C)=O Tox21_302856 -NCGC00256755-01 196718411 tox21-ror-cho-viability-p1 set2 4 0.3956427 2.25630519 2.54882911 2.31553123 0.01632247 0.9935996 1.01619073 3.53699311 1.02478886 -0.14735241 1.34452469 -0.53398203 2.70542075 1.01514023 0.13509449 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 15763-76-5 23679813 144213942 A Cc sodium 4-isopropylbenzenesulfonate [Na+].O=S([O-])(=O)c1ccc(cc1)C(C)C Tox21_303637 -NCGC00257931-01 196715460 tox21-ror-cho-viability-p1 set2 4 -2.31017899 1.74168196 -0.85971365 -3.58609344 -3.32149868 0.89052355 0.75932284 0.47858082 0.37114993 -1.58905739 -2.18573578 0.03594923 -2.506719 1.60196561 -3.53191973 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.9669999999E-8 6.635E-8 1.484E-7 3.318E-7 7.4179999999E-7 0.000001659 0.000003709 0.000008294 0.00001855 0.000041469999999 0.00009273 931-97-5 13610 144207575 D Cyclohexanone cyanohydrin N#CC1(O)CCCCC1 Tox21_200377 -NCGC00257517-01 196715036 tox21-ror-cho-viability-p1 set2 4 -2.67791452 -3.09511687 -2.58018809 -1.96527331 -2.79434439 -1.47207155 -5.63896858 -7.18830944 -5.35844543 -1.16970969 -2.76229342 -0.22178268 -1.17803188 -1.26860496 -3.11662722 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14901-07-6 26955 144211026 D 4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one CC=1CCCC(C)(C)C=1C=CC(C)=O Tox21_300709 -NCGC00253913-01 196715044 tox21-ror-cho-viability-p1 set2 4 0.7695882154 4.5632442399 -6.0632442399 -1.5 1.0999999999 0.4590924636 0.2186783436 -6.66257628 -7.32993318 -1.66286392 -7.40497368 -5.06248933 -6.7423162 -9.2193702 -4.74982184 -3.14683739 0.80942593 -4.60877993 -4.39829343 0.37615726 0.451039 -2.45857699 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-48-0 7302 144210508 A A 4-Butyrolactone O=C1CCCO1 Tox21_300188 -NCGC00254157-01 196715047 tox21-ror-cho-viability-p1 set2 -2.2 15.2772589502 -32.4047195559 -0.5 -32.9047195559 1.6604358099 0.9631915242 0.0000015426 -0.94218385 -1.39770516 -1.05476253 -0.64422831 -1.80970822 0.39772377 -0.32193387 -0.49555865 0.58693772 -0.44254597 0.34815972 -11.29181931 -21.58217799 -22.66799448 -33.67059963 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.938E-8 6.568E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.000041049999999 0.0000918 75330-75-5 53232 144210588 A B Lovastatin C[C@@H](CC)C(=O)O[C@H]2C[C@@H](C)C=C3C=C[C@H](C)[C@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@@H]23 Tox21_300268 -NCGC00025355-12 196713397 tox21-ror-cho-viability-p1 set2 4 -0.69778866 -1.36783393 0.49640436 -0.52159946 1.32093756 0.2398055 1.94211825 -0.14452832 -0.3213298 -0.47330659 2.75237137 -0.25096924 2.2043586 1.5468264 0.21748683 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61869-08-7 43815 170465075 A Paroxetine Fc1ccc(cc1)[C@@H]4CCNC[C@H]4COc2ccc3OCOc3c2 Tox21_113123_1 -NCGC00015430-06 196712993 tox21-ror-cho-viability-p1 set2 4 -0.84188697 0.18752795 -3.18588937 -3.75123738 -1.11839272 -2.25940807 -1.78623211 -5.34620902 -1.01207946 0.28682003 0.51056664 -1.41424824 1.0032494 1.23661699 4.3936453 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1944-12-3 5702161 170465657 A Fenoterol hydrobromide Br.Oc1cc(cc(O)c1)C(O)CNC(C)Cc2ccc(O)cc2 Tox21_110581_1 -NCGC00016324-09 196712994 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -11.83503462 0 -11.83503462 4.9549173134 0.7758281042 0.0131140796 1.24913972 -0.07771707 -3.0122818 -0.57198378 -2.73980087 -0.01933783 1.63902515 -0.10363814 -0.02891773 -1.15896496 -0.17220917 0.81045083 1.33239929 -0.90137772 -9.86252885 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80-35-3 5330 170466374 A Sulfamethoxypyridazine O=S(=O)(Nc1ccc(OC)nn1)c2ccc(N)cc2 Tox21_110373_1 -NCGC00016542-06 196712996 tox21-ror-cho-viability-p1 set2 4 0.03277396 -1.57992412 -1.74741067 -1.21151861 0.27932847 -1.2636539 0.25788048 -3.07811339 -2.88831797 0.73382892 -0.3399864 -0.63705681 -2.8206495 1.23605889 2.88921178 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 829-74-3 164739 170464794 Z Levonordefrin Oc1ccc(cc1O)[C@@H](O)[C@H](C)N Tox21_112051_1 -NCGC00091278-03 196713404 tox21-ror-cho-viability-p1 set2 4 17.2289340586 -12.561286572 5.5 -7.061286572 0.4 0.9094849799 0.0002025131 6.09228844 4.90696357 5.02766711 3.94029434 6.09977174 3.86762817 4.1570333 3.20476919 3.91715119 0.70311218 0.32917568 0.346167 -0.44312804 -0.69813225 -4.21773881 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00179573-03 196713405 tox21-ror-cho-viability-p1 set2 4 -3.93747634 -4.80905062 -4.6180247 -4.96572765 -1.15056082 -4.17849032 -4.63799141 -4.54586796 -0.09626983 0.17292643 0.03117422 0.36230155 -2.33708796 -3.72223628 -11.37556776 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33005-95-7 5468 170465577 C Tiaprofenic acid O=C(c1ccc(s1)C(C)C(=O)O)c2ccccc2 Tox21_110627_1 -NCGC00090964-04 196713803 tox21-ror-cho-viability-p1 set2 4 0.086349218 -7.521250636 -0.5 -8.021250636 0.6 0.5533672811 0.134318648 -0.70898258 -1.4643043 -4.06080641 2.54029603 1.85789313 -4.83624498 -1.8319372 -4.46233895 -4.34645885 -3.62459252 -6.33853692 -7.22765353 -7.63095485 -2.86454216 -10.43437553 1.1799999999E-10 2.638E-10 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 112-57-2 8197 170464940 Z Tetraethylenepentamine NCCNCCNCCNCCN Tox21_111047_1 -NCGC00015243-10 196713818 tox21-ror-cho-viability-p1 set2 4 -2.4511558 -5.87572873 -4.46348941 -2.69036249 -3.64108945 -0.45689673 -0.44578095 -3.20416707 0.04980324 0.08568632 -1.51958946 -1.50506341 -4.48150326 -3.75493073 -6.92850865 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1163-36-6 5309446 170465924 A Clemizole hydrochloride Cl.Clc1ccc(cc1)Cn3c4ccccc4nc3CN2CCCC2 Tox21_110108_1 -NCGC00254759-01 196714219 tox21-ror-cho-viability-p1 set2 4 0.96126131 1.3722004 0.56930387 0.90130648 0.28211746 0.16977075 2.23740591 -22.67502283 5.87296149 2.39555416 1.33024098 6.23691093 4.35069226 1.9749979 -0.10327496 1.539E-9 3.441E-9 7.6949999999E-9 1.721E-8 3.8469999999E-8 8.603E-8 1.9239999999E-7 4.3009999999E-7 9.618E-7 0.000002151 0.000004809 0.000010749999999 0.00002405 0.00005377 0.0001202 10004-44-1 24781 144211173 A A Hymexazol CC1=CC(=O)NO1 Tox21_300856 -NCGC00091532-04 196708658 tox21-ror-cho-viability-p1 set2 -2.2 49.1509036116 -66.7397365203 0.9534330299 -65.7863034904 1.92824246 0.9906157449 6E-10 -0.0139323 1.19841691 1.73535026 0.17208019 1.69207155 3.43325498 4.11240948 -0.38430341 0.93052148 -1.11137585 0 -2.63238349 -7.64285407 -26.10549696 -51.35326022 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00258910-01 196708673 tox21-ror-cho-viability-p1 set2 4 1.40856365 1.0155681 -0.68618766 1.97759031 0.5431297 0.18513436 0.95155575 1.86414335 1.08721443 0.44970596 -0.4411246 1.00030775 -0.04087897 2.19858981 1.49878208 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.295E-7 7.367E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.000041179999999 0.00009209 134-29-2 8638 144208556 A B 2-Methoxyaniline hydrochloride Cl.Nc1ccccc1OC Tox21_201358 -NCGC00091011-05 196708258 tox21-ror-cho-viability-p1 set1 4 7.6958821542 16.499559176 -9.499559176 7 4.9549173134 0.7904312855 0.0096704102 -2.23414341 -7.63464449 -4.58483322 -12.53942797 -6.28619045 -8.44736081 -11.67386392 -9.74252076 -11.91451127 -12.73527215 -14.58296598 1.2560068 4.43450233 5.52506485 9.76033823 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00259631-01 196708666 tox21-ror-cho-viability-p1 set2 4 -0.11144864 -1.00463662 -0.59986181 -0.35240659 1.0644027 -0.87239795 -0.6714051 -0.10815802 -1.52441378 0.74652264 0.62500669 -0.97347126 0.95641742 0.33615896 -3.50791013 1.167E-9 2.61E-9 5.837E-9 1.305E-8 2.918E-8 6.5259999999E-8 1.459E-7 3.2629999999E-7 7.296E-7 0.000001631 0.000003648 0.000008157 0.000018239999999 0.000040789999999 0.0000912 886-50-0 13450 144209280 A A Terbutryn CSc1nc(NCC)nc(NC(C)(C)C)n1 Tox21_202082 -NCGC00090780-04 196708677 tox21-ror-cho-viability-p1 set2 4 -6.06599837 -4.44033699 -3.48137328 -2.04049706 0.65086705 -2.84341486 -0.79654063 -2.52782244 -1.63613827 -0.1504629 0.3027091 -0.56184286 -1.85575207 -3.24053382 -2.48791785 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00015060-14 196709071 tox21-ror-cho-viability-p1 set2 4 -37.01802173 -14.21791705 -9.98706511 -15.24834715 -6.40139425 -2.31802305 -6.94196185 -6.75044894 -1.06408849 -7.94879975 -11.7059558 -8.28060185 -20.11564807 0.29584025 2.03713024 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00259789-01 196709078 tox21-ror-cho-viability-p1 set2 4 2.86773503 -0.28842348 -1.84922179 -0.50849567 3.60843556 2.83858376 1.88347296 1.42449407 1.78404233 2.75477398 1.92101518 1.97432079 2.82873124 3.73507792 2.00759234 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.000092909999999 86386-73-4 3365 144209438 A A Fluconazole OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F Tox21_202240 -NCGC00259958-01 196709496 tox21-ror-cho-viability-p1 set2 4 27.0562917993 -6.376746628 1.5 -4.876746628 4.9549173134 0.5685059955 0.1237700118 6.25767627 1.32182247 -0.37376313 2.51425424 1.31802909 -0.08527374 -0.23872575 0.3117116 -0.65921762 1.03762872 2.54734213 1.06344666 1.10352816 -4.15308355 -4.48062219 1.171E-9 2.6189999999E-9 5.856E-9 1.3089999999E-8 2.9279999999E-8 6.547E-8 1.464E-7 3.274E-7 7.3199999999E-7 0.000001637 0.00000366 0.0000081839999999 0.0000183 0.00004092 0.0000915 536-33-4 2761171 144209607 A A Ethionamide CCc1cc(ccn1)C(N)=S Tox21_202409 -NCGC00259179-01 196709500 tox21-ror-cho-viability-p1 set2 4 -3.05436194 -0.83616225 -0.73472213 -2.82764716 0.75317451 -0.85052932 -2.03254437 0.92453163 0.60551811 -0.61449946 -0.73481532 -2.26719001 -1.87166647 0.77463785 1.76535903 1.19E-9 2.661E-9 5.95E-9 1.331E-8 2.975E-8 6.653E-8 1.4879999999E-7 3.326E-7 7.438E-7 0.000001663 0.000003719 0.000008316 0.00001859 0.00004158 0.00009297 616-45-5 12025 144208828 A A 2-Pyrrolidinone O=C1CCCN1 Tox21_201630 -NCGC00259698-01 196709501 tox21-ror-cho-viability-p1 set2 4 54.5935042736 -18.882116868 1 -17.882116868 3.9294729863 0.8534067052 0.0020511049 -0.23523774 -1.33771803 -0.40818332 -1.67290415 3.33479982 -0.53357812 -0.58083665 0.76068713 3.29699238 3.20974009 0.46408726 3.90448475 0.27450298 -3.79342612 -15.73509739 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.305E-7 7.3889999999E-7 0.0000016519999999 0.0000036949999999 0.000008262 0.000018469999999 0.00004131 0.00009237 143-07-7 3893 144209347 A A Dodecanoic acid O=C(O)CCCCCCCCCCC Tox21_202149 -NCGC00256299-01 196709910 tox21-ror-cho-viability-p1 set2 4 0.66537212 -0.95212005 -0.44680601 -0.27238269 -0.03746613 -0.50524789 -0.19739462 0.86289355 -1.30275535 -0.73945078 -0.42847123 -0.43023162 0.07270655 5.26032092 4.28682623 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 5187-23-5 78860 144211716 A A (5-Ethyl-1,3-dioxan-5-yl)methanol OCC1(CC)COCOC1 Tox21_301399 -NCGC00255223-01 196709913 tox21-ror-cho-viability-p1 set2 4 111.4996564118 -9.218777196 1 -8.218777196 4.9549173134 0.7908888658 0.0099962204 2.45422292 -0.42384416 2.44766671 0.34185687 3.35170891 0.69561892 -0.17288567 0.34507892 -0.04378959 -0.18161127 0.94611375 -0.20193874 1.42509203 -0.83934654 -7.68231433 2.359E-9 5.276E-9 1.18E-8 2.638E-8 5.899E-8 1.3189999999E-7 2.949E-7 6.595E-7 0.000001475 0.000003297 0.0000073729999999 0.000016489999999 0.00003687 0.000082439999999 0.0001843 30030-25-2 170249 144211585 Bc B Chloromethyl styrene ClCc1cccc(C=C)c1 Tox21_301268 -NCGC00015724-17 196704878 tox21-ror-cho-viability-p1 set1 4 -3.65621208 -0.3408555 -3.90163404 -1.36843272 1.29981146 -1.27409386 -1.99966893 -3.56160546 -1.0119318 -1.09646292 -1.63201685 0.12378531 -1.05173984 -1.01903152 -1.58680231 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4394-00-7 4488 170466463 A Niflumic acid FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O Tox21_110206_1 -NCGC00164168-02 196704463 tox21-ror-cho-viability-p1 set1 4 1.14858832 -0.12083618 1.2253994 -1.17366625 1.59248379 1.58851554 0.79598818 3.6468428 1.65199891 0.87327619 4.21529989 1.80165652 2.09282779 -0.82842466 1.61301152 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00091532-06 196704465 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -17.233982964 -2 -19.233982964 4.9549173134 0.8429266208 0.0028201347 -4.80853086 -2.50206538 -3.66829465 -1.76879579 -3.30553715 0.20245406 -0.61094019 -0.39719574 0.34239274 -4.1726719 -1.25928121 -3.10557832 -0.65746284 -1.99757506 -16.86165247 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 120-32-1 8425 170465725 A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_111146_1 -NCGC00094851-05 196704870 tox21-ror-cho-viability-p1 set1 4 -6.54950998 0.209769 -7.3223593 0.12366088 -0.43448571 0.61865278 0.79435661 2.1588652 0.7589878 -0.42204208 -1.41174874 -0.36244372 0.17524792 -4.4792669 -0.56405271 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 440-58-4 3723 170465213 F Iodamide O=C(C)Nc1c(I)c(c(I)c(CNC(C)=O)c1I)C(=O)O Tox21_111346_1 -NCGC00015580-13 196705275 tox21-ror-cho-viability-p1 set1 4 0.01140261 -0.90431425 0.46153976 0.08363167 -0.15964048 0.38588889 -3.12059618 -0.70323948 -2.11365871 -0.20791437 0.08467111 -0.70386142 3.42078204 -3.29666743 -0.07583341 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 34580-13-7 3827 170465378 A Ketotifen CN1CC/C(CC1)=C3\c4ccccc4CC(=O)c2sccc23 Tox21_110176_1 -NCGC00091210-02 196705279 tox21-ror-cho-viability-p1 set1 4 -1.23101055 -0.61789698 1.02848458 4.98042029 -0.33092083 -1.11309435 0.37627266 -0.02959523 -0.00002532 1.92367887 2.29841337 -2.94979117 -0.01020194 -2.46958303 0.27551344 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00164127-07 196705287 tox21-ror-cho-viability-p1 set1 -2.2 29.8492948118 -61.2920529847 -0.0459882809 -61.3380412656 1.98874246 0.9458378875 0.0000130128 -0.15668931 0.03116545 1.96481873 -0.33016431 1.05511752 3.99166973 1.44873201 1.98056646 -0.58974141 0.22030495 -6.76726648 -1.00657905 -10.77905782 -16.24924162 -46.46821308 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 140-66-9 8814 170465157 Z 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_112084_1 -NCGC00263654-01 196705288 tox21-ror-cho-viability-p1 set1 4 -0.77277326 -0.50627969 2.94505151 2.41654268 1.37968678 2.28803029 3.13566315 -0.02606071 3.09662387 0.4232289 2.88571728 0.66553849 1.23583669 0.21319705 -1.55657582 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62658-63-3 44112 170466106 B Bopindolol CC(C)(C)NCC(OC(=O)c1ccccc1)COc3cccc2nc(C)cc23 Tox21_112017_1 -NCGC00015254-20 196705290 tox21-ror-cho-viability-p1 set1 4 -1.71716915 -2.72985891 -4.58586561 -2.5613351 1.3685266 -2.09947771 -1.8739557 -5.61890799 1.01920806 -2.92861715 -1.11685206 -1.15616948 -2.0803928 -2.5254714 -1.70469954 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5786-21-0 2818 170464853 A Clozapine CN1CCN(CC1)C2=Nc4cc(Cl)ccc4Nc3ccccc23 Tox21_110113_1 -NCGC00179491-04 196705298 tox21-ror-cho-viability-p1 set1 4 -0.86189294 -3.08721726 0.37444703 -0.29585177 0.51465347 -0.22742672 2.77280737 3.90957726 -3.5246152 -0.56805604 -0.6376638 3.27009501 -3.2281188 -0.67818004 4.23303927 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1195-16-0 14520 170466625 F Citiolone O=C1SCCC1NC(=O)C Tox21_113346_1 -NCGC00259952-01 196705708 tox21-ror-cho-viability-p1 set1 4 2.8672282006 -7.90173004 2.5 -5.40173004 4.9549173134 0.5781568878 0.1136564155 4.48617119 0.82566715 0.81386902 5.02305616 4.24689145 0.3526477 0.36946429 -0.64078131 0.4604984 9.3528957 -8.2514417 -1.29951924 -5.13169237 -7.52884049 -4.55890313 1.229E-9 2.748E-9 6.145E-9 1.374E-8 3.073E-8 6.8709999999E-8 1.5359999999E-7 3.435E-7 7.682E-7 0.000001718 0.000003841 0.000008589 0.0000192 0.00004294 0.000096019999999 65-85-0 243 144209601 A A Benzoic acid O=C(O)c1ccccc1 Tox21_202403 -NCGC00091902-08 196706111 tox21-ror-cho-viability-p1 set1 4 2.40391421 1.82904737 2.69637201 -0.28494173 1.63658719 -2.91246796 -2.47004352 0.51154881 1.77767577 -0.02051894 -4.64554309 1.61487965 0.03284094 -4.38464665 -0.01419691 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00091830-04 196706119 tox21-ror-cho-viability-p1 set1 4 0.4327712569 -6.7436272759 5 -1.7436272759 4.9549173134 0.4546051043 0.2206977871 3.26035203 6.87950302 3.23359157 7.08959582 8.85519848 1.77487255 2.66169104 6.57507184 -7.32081088 4.27333158 -0.01497929 0.15135926 -7.70302273 2.18856541 -2.68835104 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00254705-01 196719684 tox21-ror-cho-viability-p1 set3 -1.1 1.5355303643 -93.6794037582 1.6136874414 -92.0657163168 1.9673362061 0.9909208982 0.0006030497 -2.06860369 11.67737493 1.81974345 -1.69572985 -2.35460533 -1.34078618 3.89049019 -0.91580153 -17.31359749 -50.68598558 -76.97438253 -40.49879882 -87.33273287 -95.90178783 -91.82578338 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2425-06-1 17038 144211118 A I Captafol ClC(Cl)C(Cl)(Cl)SN2C(=O)C1CC=CCC1C2=O Tox21_300801 -NCGC00257235-01 196719272 tox21-ror-cho-viability-p1 set2 4 3.442476 -1.75587765 3.41596815 -6.78922716 -3.44227527 -1.56047058 -5.71362577 0.48800029 3.05828284 -3.15655898 -5.60579286 -5.25345334 -2.21955648 -6.97824045 3.65890833 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 NOCAS_48166 60196435 144213657 A C PharmaGSID_48166 NC(=O)OC[C@H]4c1c(cc(C=O)cc1OC)N3C[C@H]2[C@H](N2C(C)=O)[C@@]4(OC(C)=O)O3 Tox21_303340 -NCGC00257391-01 196719276 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -15.8791543919 1.5 -14.3791543919 4.0449729863 0.8908656716 0.0005110861 0.82751032 1.79272585 0.51057337 0.37106719 0.75074472 4.07481333 1.38579637 1.19215522 0.10422842 1.40340219 3.13341033 3.08935657 1.8826248 -0.34391642 -10.73262866 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2440-22-4 17113 144213883 A A 2-(2H-Benzotriazol-2-yl)-4-methylphenol Cc1cc(c(O)cc1)n2nc3ccccc3n2 Tox21_303578 -NCGC00256398-01 196719287 tox21-ror-cho-viability-p1 set2 4 -4.37010808 -2.10175089 -5.80052475 -0.76985889 -2.88481737 -2.52496746 -4.9834491 -0.20023013 -3.17187042 -3.76655331 -1.94835016 1.09703118 0.00535493 -4.36511427 -6.92977485 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-52-0 7195 144213145 A A 6-Nitrobenzimidazole [O-][N+](=O)c1cc2ncnc2cc1 Tox21_302828 -NCGC00254089-01 196719690 tox21-ror-cho-viability-p1 set3 4 9.89880373 2.91008495 1.36187668 3.61930511 4.6678622 2.94287304 -7.08220954 4.47639145 2.27360194 1.50325728 5.31925534 -0.62830486 -1.07368284 3.05709891 -0.84413026 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 864283-48-7 11472813 144210540 A A GSK232420A NC(=O)CN(CC(F)(F)F)c1cc(c(cc1)C#N)C(F)(F)F Tox21_300220 -NCGC00254414-01 196719692 tox21-ror-cho-viability-p1 set3 -2.4 68.5896218971 -31.1133606599 -0.5 -31.6133606599 4.9549173134 0.7318457681 0.0253982976 -3.64420576 -2.57369006 -1.39153298 -3.78528502 4.3837357 -3.07105841 -1.65914421 -2.79431421 7.72372119 7.31002773 2.49356384 -3.5787146 -4.11967401 -2.5250125 -25.92780055 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 577-11-7 23673837 144210814 A A Docusate sodium [Na+].O=S(=O)([O-])C(CC(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC Tox21_300496 -NCGC00254628-01 196719697 tox21-ror-cho-viability-p1 set3 4 0.0029519652 18.250270004 -20.600365752 -2.350095748 0.5 0.6719367929 0.0521786222 -12.12859613 -15.91697146 -8.78743264 -4.33195208 -6.05913972 -11.87238515 -1.69379809 -3.48766183 -3.63107658 -5.52277037 -2.74649724 -1.35673715 -1.57293343 -1.12507979 -3.16276978 1.144E-9 2.5569999999E-9 5.719E-9 1.2789999999E-8 2.859E-8 6.3939999999E-8 1.4299999999E-7 3.197E-7 7.1479999999E-7 0.000001598 0.0000035739999999 0.0000079919999999 0.00001787 0.00003996 0.000089349999999 102851-06-9 91768 144211039 A A tau-Fluvalinate Clc3cc(ccc3N[C@@H](C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C(C)C)C(F)(F)F Tox21_300722 -NCGC00254082-01 196719704 tox21-ror-cho-viability-p1 set3 -2.4 10.8707224818 -30.8393777159 0.5 -30.3393777159 1.21 0.9524509107 0.0000063954 4.783143 1.72287114 -2.19330068 -1.56731222 -1.40227269 -0.38812535 2.25977278 0.19642355 -1.95033861 -4.39586217 -1.59654866 -14.91345294 -18.85450972 -25.3385828 -28.19948143 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 154-42-7 2723601 144210595 A A 6-Thioguanine NC2=Nc1ncnc1C(=S)N2 Tox21_300275 -NCGC00254678-01 196720095 tox21-ror-cho-viability-p1 set3 4 0.1722893406 6.289044184 -6.289044184 0 4.4494702849 0.7023663123 0.0376518301 -6.9168713 -5.09194784 -5.41808853 -9.40753682 -5.02736595 -4.38562584 -4.36891109 0.2133235 0.99225265 0.8731973 -5.51413378 -0.1681178 0.67992115 1.24897715 0.64787138 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-40-1 2319 144211091 A Benfluralin [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCCC)CC)C(F)(F)F Tox21_300774 -NCGC00258297-01 196716362 tox21-ror-cho-viability-p1 set2 4 43.585382615 -17.21566792 0 -17.21566792 2.3331733767 0.7225970354 0.0289573152 2.92223358 1.67429183 1.36212064 2.4434382 1.62143086 0.12551857 -0.40796151 -0.24435402 -6.59433523 0.40363598 -5.29620586 0.70556455 -1.03793169 -8.62604815 -14.7630566 1.187E-9 2.6549999999E-9 5.936E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.3189999999E-7 7.42E-7 0.000001659 0.0000037099999999 0.0000082959999999 0.00001855 0.000041479999999 0.00009276 97-32-5 7331 144207941 A A 4-Methoxy-3-nitro-N-phenylbenzamide COc1ccc(cc1[N+]([O-])=O)C(=O)Nc2ccccc2 Tox21_200743 -NCGC00258034-01 196715956 tox21-ror-cho-viability-p1 set2 4 1.84066658 2.52991656 0.6333821 2.56369175 0.85575655 3.84328409 0.82642946 -0.13388752 4.3961322 0.19008486 1.35817587 4.44887894 -0.12195383 1.143008 -5.06190493 1.19E-9 2.661E-9 5.949E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003718 0.000008314 0.00001859 0.00004157 0.000092959999999 27060-75-9 117915 144207678 A A 1-Bromo-4-methoxy-2-methylbenzene Cc1cc(OC)ccc1Br Tox21_200480 -NCGC00254475-01 196714656 tox21-ror-cho-viability-p1 set2 4 1.02654804 0.85091652 0.41043795 -0.55755035 -0.4352035 3.71980567 1.98020975 0.83551002 0.17937558 4.15148003 0.93557284 6.95358061 4.86920191 0.81915825 0.97748948 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 35256-85-0 92299 144210794 A A Butam CC(C)(C)C(=O)N(Cc1ccccc1)C(C)C Tox21_300476 -NCGC00254362-01 196714636 tox21-ror-cho-viability-p1 set2 4 1.3685428777 -13.094365476 2 -11.094365476 1.826479391 0.8963516487 0.0003875564 0.94151304 -0.50251154 5.33943449 5.32792992 1.92905948 1.43047023 0.45820445 0.08934388 1.83706775 -8.21112837 -9.72147146 -8.21701914 -9.74828996 -11.65384419 -12.16197123 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 668981-02-0 9949821 144210775 A A CP-863187 CC(C)c2nnc1ccc(cn12)c4ocnc4c3cc(F)ccc3F Tox21_300457 -NCGC00254987-01 196714642 tox21-ror-cho-viability-p1 set2 4 -1.80212133 -1.26656967 -1.22902832 2.64557902 2.74921372 4.14594932 0.52259849 -2.07714583 -1.41005536 2.4245098 4.29293075 3.12888205 3.86764039 2.28104464 2.93267637 5.309E-11 1.187E-10 2.654E-10 5.935E-10 1.327E-9 2.968E-9 6.636E-9 1.484E-8 3.3179999999E-8 7.419E-8 1.659E-7 3.71E-7 8.295E-7 0.0000018549999999 0.000004147 513-53-1 10560 144211403 FNS 2-Butanethiol CC(S)CC Tox21_301086 -NCGC00163771-03 196714649 tox21-ror-cho-viability-p1 set2 4 -11.11904226 -12.92900725 -2.3445965 -2.47529545 -0.28709213 -7.185216 -10.42676679 -0.86203788 -9.03000897 -3.18320526 -7.50207281 -22.24840211 -3.60090435 -0.91107441 -4.18197677 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00254591-01 196714659 tox21-ror-cho-viability-p1 set2 -2.2 34.3762428541 -58.0763721879 -6.72661502 -64.8029872079 1.0999999999 0.9322027037 0.0000433992 -5.3638779 -12.81576964 -2.11487826 -8.90507183 -5.27814442 -4.55793815 -12.65728826 -3.61652893 -6.01894597 -9.14860166 -10.49438163 -21.06664099 -26.31855094 -32.86634549 -54.00248934 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 128-95-0 31420 144211000 A A 1,4-Diaminoanthraquinone O=C2c1ccccc1C(=O)c3c2c(N)ccc3N Tox21_300683 -NCGC00254752-01 196715053 tox21-ror-cho-viability-p1 set2 4 2.63084314 3.5224248 4.34613264 0.43843482 3.16288621 2.92691598 0.29956727 1.8798828 1.67544207 1.69822727 3.04319529 3.14441494 6.83483827 0.46023061 5.46248004 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123343-16-8 23682187 144211166 A A Pyrithiobac-sodium [Na+].[O-]C(=O)c2c(Sc1nc(cc(OC)n1)OC)cccc2Cl Tox21_300849 -NCGC00254515-01 196715059 tox21-ror-cho-viability-p1 set2 4 3.49375842 -0.11626102 -0.19589711 0.92269288 0.58377436 0.2907943 -0.01271084 0.28883633 -0.10248455 0.74473095 2.29286386 7.1520896 7.35590385 3.68128021 0.40322296 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5216-25-1 21277 144210877 A D 4-Chlorobenzotrichloride ClC(Cl)(Cl)c1ccc(Cl)cc1 Tox21_300560 -NCGC00254827-01 196715069 tox21-ror-cho-viability-p1 set2 4 0.79216146 -0.36986587 -0.64220401 -1.6469794 1.27130507 0.22633257 0.29814598 -3.84216673 -1.23537365 -3.38637448 -0.33823377 -4.17233322 -2.47415831 0.29167549 1.50545642 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 76738-62-0 616765 144211242 A A Paclobutrazol OC(C(Cc1ccc(Cl)cc1)n2cncn2)C(C)(C)C Tox21_300925 -NCGC00258465-01 196715485 tox21-ror-cho-viability-p1 set2 4 -0.09660759 1.01671078 -6.60789301 0.39731454 -5.51681529 -0.56237236 -1.80798882 -1.83680958 -1.88322321 1.12559085 -2.35315951 -1.15652574 0.05715496 3.12793053 2.4225793 1.163E-9 2.601E-9 5.817E-9 1.301E-8 2.908E-8 6.503E-8 1.454E-7 3.252E-7 7.2709999999E-7 0.0000016259999999 0.0000036349999999 0.000008129 0.00001818 0.00004064 0.00009088 693-07-2 12733 144208109 C 1-Chloro-2-(ethylthio)ethane CCSCCCl Tox21_200911 -NCGC00258068-01 196715884 tox21-ror-cho-viability-p1 set2 4 2.83944171 2.87114752 1.24940806 2.11490009 1.9377034 4.19594704 2.29437417 4.83163443 6.77081097 3.84077866 4.91444694 4.46733415 2.42909416 3.11337674 5.0065381 1.1699999999E-9 2.617E-9 5.852E-9 1.3089999999E-8 2.926E-8 6.543E-8 1.463E-7 3.2719999999E-7 7.315E-7 0.0000016359999999 0.000003658 0.0000081789999999 0.00001829 0.000040889999999 0.000091439999999 59-33-6 5284451 144207712 A A Pyrilamine maleate O=C(O)/C=C\C(=O)O.COc1ccc(cc1)CN(CCN(C)C)c2ccccn2 Tox21_200514 -NCGC00258372-01 196715886 tox21-ror-cho-viability-p1 set2 4 55.4814984079 -12.843018056 3 -9.843018056 1.6258976909 0.7579796813 0.0176525812 3.88623257 0.12972753 2.36205594 2.27326964 3.93609394 2.47868274 3.9787026 1.32065201 4.90593463 4.91354134 3.50189202 3.65630738 -0.99077947 -0.65586017 -6.53584838 1.198E-9 2.679E-9 5.991E-9 1.34E-8 2.996E-8 6.698E-8 1.4979999999E-7 3.3489999999E-7 7.4889999999E-7 0.000001675 0.000003745 0.000008373 0.000018719999999 0.000041859999999 0.000093609999999 136-95-8 8706 144208016 A A 2-Aminobenzothiazole Nc1nc2ccccc2s1 Tox21_200818 -NCGC00257596-01 196715891 tox21-ror-cho-viability-p1 set2 4 -0.63272365 0.94542958 1.04928451 -4.92331249 1.65967146 -3.37500476 -3.4984804 -2.15667596 -1.72816921 -1.24193185 0.71205213 1.17749455 -0.28008956 -2.64524197 1.2158678 1.27E-9 2.841E-9 6.3519999999E-9 1.42E-8 3.1759999999E-8 7.102E-8 1.588E-7 3.551E-7 7.94E-7 0.0000017749999999 0.00000397 0.000008877 0.00001985 0.00004439 0.00009925 95-06-7 7216 144207240 A A Sulfallate C=C(Cl)CSC(=S)N(CC)CC Tox21_200042 -NCGC00257839-01 196729638 tox21-ror-cho-viability-p1 set3 4 15.3865400603 15.842716304 -4.342716304 11.5 4.9549173134 0.407117752 0.2645646599 2.97991984 -6.61573047 0.60386577 1.71349406 -0.29650873 -0.18813296 0.56808024 -6.10929683 -6.85175739 -20.28559692 0 -19.89347517 10.94440791 10.52270036 10.31468698 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004129 0.000092319999999 100-27-6 7494 144207483 A A 2-(4-Nitrophenyl)ethanol O=[N+]([O-])c1ccc(CCO)cc1 Tox21_200285 -NCGC00255519-01 196711153 tox21-ror-cho-viability-p1 set2 4 -2.15191194 1.11043413 -1.90903108 -1.77501719 0.56757284 1.47245319 -3.18369714 0.18504385 0.56455022 1.24905516 1.45888349 -1.31778862 1.36076625 1.43134437 -1.1687146 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57018-04-9 91664 144211664 A A Tolclofos-methyl Clc1cc(C)cc(Cl)c1OP(=S)(OC)OC Tox21_301347 -NCGC00015675-08 196710738 tox21-ror-cho-viability-p1 set2 4 1.91441868 2.42927944 2.85513296 -0.39599597 -1.26254306 0.51671878 1.55314519 2.24360173 3.23893429 1.66117865 2.35365087 -0.85632034 2.56715872 -0.84826258 2.10904545 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00255700-01 196710745 tox21-ror-cho-viability-p1 set2 4 -1.53161253 0.64196563 1.3362232 -1.07950126 -1.19065434 -0.39908532 -0.79742587 -0.23716452 0.2458626 -0.08233177 -0.6686546 -0.61842994 -1.00288352 -0.27900945 5.84371951 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 532-43-4 10762 144212638 A F Thiamine nitrate [O-][N+]([O-])=O.Cc2nc(N)c(C[n+]1csc(CCO)c1C)cn2 Tox21_302321 -NCGC00255655-01 196710757 tox21-ror-cho-viability-p1 set2 4 2.53439344 -0.14961983 0.49945803 1.86180165 -0.18678254 1.1166021 0.36240303 0.7868054 1.12133555 1.70991886 0.08320471 0.59429712 -0.84609204 1.84057595 -6.8458115 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1120-04-3 23673604 144212701 A Octadecyl sulfate sodium salt [Na+].[O-]S(=O)(=O)OCCCCCCCCCCCCCCCCCC Tox21_302384 -NCGC00164127-03 196711158 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -61.5317194232 -0.92926159 -62.4609810132 3.6272481694 0.972423845 3.01E-7 -1.01343963 -3.8042433 -3.04176181 -1.35734728 1.89427677 -3.53338496 1.97369089 1.25930698 1.10179402 -0.4613097 1.93590568 -1.14050973 -3.45524434 -9.08973077 -47.31892501 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00255195-01 196711175 tox21-ror-cho-viability-p1 set2 4 -8.34883561 -0.04058205 -2.73325848 -2.46532007 0.54681496 0.57229728 0.40777321 -6.51710153 -2.29991599 2.00788041 -1.42228547 0.9874466 -3.78523668 -1.96697447 -0.52367393 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 378-44-9 9782 144211772 A A Betamethasone OCC(=O)[C@@]4(O)[C@@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_301455 -NCGC00260625-01 196711568 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -19.1461463799 1 -18.1461463799 4.9549173134 0.7747775329 0.0130545774 -0.35746737 1.35533794 -0.10184313 0.62433745 1.94833073 2.73320978 -0.12073666 1.94225523 3.11354989 2.15151905 4.4956352 1.47763828 -5.5945083 -0.14147145 -15.12178865 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49521 144210278 M M NTP Mix101 ER1 10-EQC Tox21_203080 -NCGC00260163-01 196711571 tox21-ror-cho-viability-p1 set2 4 5.4870745757 5.377566184 -0.877566184 4.5 2.7202212143 0.3378645783 0.3333516496 -0.80581249 1.13488594 -1.05673351 0.62243206 1.84731895 1.67477515 -0.35743039 0.87677988 -8.64797182 -6.49037802 2.65984407 2.46354214 4.33719893 1.15065546 7.86873144 1.187E-9 2.6549999999E-9 5.937E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 20445-94-7 60196373 144209813 A A Ethyltributylphosphonium diethylphosphate [O-]P(=O)(OCC)OCC.CC[P+](CCCC)(CCCC)CCCC Tox21_202615 -NCGC00356969-01 196711581 tox21-ror-cho-viability-p1 set2 2.4 61.130564862 33.2616360761 0.7383639239 34 3.9294729863 0.925166712 0.0000733243 -0.86415655 -0.4223902 0.26370126 0.01535705 -0.85091742 -0.22041849 3.54521931 1.21747233 3.39119229 4.5526765 1.04358739 -1.01093188 -3.13469673 7.82787748 28.40481179 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-93-5 8864 251919657 Ac 1,3-Diethylbenzene CCc1cccc(CC)c1 Tox21_303896 -NCGC00260043-01 196711984 tox21-ror-cho-viability-p1 set2 -2.2 6.0633569246 -63.2000261948 -6.493245388 -69.6932715828 3.9899729863 0.87628234 0.004240865 -19.50016452 -7.00365657 -9.71128413 -8.47045376 -8.15757037 -8.7696796 -12.46293276 -0.89652669 -8.37035778 -7.14152335 -13.21638699 -55.07066029 -31.66203488 -12.57869863 2.87937358 1.172E-9 2.621E-9 5.862E-9 1.311E-8 2.931E-8 6.554E-8 1.465E-7 3.277E-7 7.327E-7 0.0000016379999999 0.000003664 0.000008192 0.00001832 0.00004096 0.00009159 67-66-3 6212 144209692 FNS Chloroform ClC(Cl)Cl Tox21_202494 -NCGC00258893-01 196708692 tox21-ror-cho-viability-p1 set2 4 0.00043999 0.3312807 2.31046031 0.07686852 3.04234163 0.38167701 2.20969138 2.98260693 2.31862303 1.97766015 0.09259188 1.87974817 2.73802735 0.36742303 2.13109912 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.000008236 0.00001842 0.000041179999999 0.00009208 60-56-0 1349907 144208539 A A Methimazole S=C1NC=CN1C Tox21_201341 -NCGC00256425-01 196708283 tox21-ror-cho-viability-p1 set1 4 -1.20865844 -1.03841288 -4.48332908 -4.10404229 -14.46091356 -8.28234262 -12.98070205 -3.18137442 -9.3084966 -15.2702974 -13.45996886 -1.17979417 -2.26821485 -6.12096181 -3.60495083 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 91-23-6 7048 144213298 A A 1-Methoxy-2-nitrobenzene COc1ccccc1[N+]([O-])=O Tox21_302981 -NCGC00259771-01 196706533 tox21-ror-cho-viability-p1 set1 4 0.0172114146 9.5875563639 -12.0875563639 -2.5 4.9549173134 0.4582458217 0.2337051639 -14.65629697 -8.79837796 -12.216749 -11.42197715 -1.13404122 -2.82178498 -0.27799327 -0.57469316 5.74438889 -11.71711443 -10.67760696 2.26325118 -4.18828212 -3.09026352 -14.60752602 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.4729999999E-7 3.295E-7 7.367E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.000041179999999 0.00009209 77-40-7 66166 144209420 A A Bisphenol B Oc1ccc(cc1)C(C)(CC)c2ccc(O)cc2 Tox21_202222 -NCGC00259281-01 196706129 tox21-ror-cho-viability-p1 set1 4 27.2227349976 -10.523420812 2 -8.523420812 4.9549173134 0.5273321229 0.1724427379 1.10886758 6.80971097 3.99601407 0.27002141 3.6671414 -0.44823182 -0.48290429 0.46357391 7.41518358 0 1.88393311 0.94774634 1.53795945 -7.93618401 0.30875482 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 120-55-8 8437 144208930 A A Diethylene glycol dibenzoate O=C(OCCOCCOC(=O)c1ccccc1)c2ccccc2 Tox21_201732 -NCGC00259375-01 196706949 tox21-ror-cho-viability-p1 set1 4 0.0251466156 -22.38570194 -8.2324277 -13.41293622 -6.57030056 -5.19495371 -6.61856087 -5.1573924 -2.43764069 0.45080629 3.84263368 -2.01269115 4.18730717 -4.37111511 -3.4308687 -2.99192436 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.679E-8 1.494E-7 3.34E-7 7.468E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004175 0.000093349999999 140-11-4 8785 144209024 A Ac Benzyl acetate CC(=O)OCc1ccccc1 Tox21_201826 -NCGC00257437-01 196707356 tox21-ror-cho-viability-p1 set1 4 -1.68076026 2.38569626 -1.84468963 2.21660615 -1.78608429 -0.33353258 0.55046983 2.61945592 3.64724649 -0.97726023 2.10294478 0.47521946 -0.85984093 1.685388 3.6953094 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24800-44-0 22833317 144213841 F Tripropylene glycol OC(OC(C)COC(O)CC)CC Tox21_303535 -NCGC00256450-01 196707374 tox21-ror-cho-viability-p1 set1 4 0.2846202 2.0817014 0.03434113 2.58830057 1.07450425 -1.38574745 4.12297273 -1.30496928 0.05718336 -17.49533006 2.53944579 3.13136112 3.68920367 -0.20604273 -8.92609071 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-84-8 7583 144213094 A Ac Diphenyl oxide c1ccccc1Oc2ccccc2 Tox21_302777 -NCGC00256843-01 196707377 tox21-ror-cho-viability-p1 set1 4 61.130564862 -28.464237008 2.5 -25.964237008 1.8579476909 0.8480217772 0.0024058992 3.01241886 5.90721929 0.08662621 1.52248938 1.98146711 0.87005813 5.05422195 3.10061277 4.64830858 4.7844178 -1.30578478 -0.84550349 -2.97047638 -4.1206216 -18.30353084 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 5026-74-4 62558 144212963 A B 4-(Diglycidylamino)phenyl glycidyl ether c2cc(OCC1CO1)ccc2N(CC3CO3)CC4CO4 Tox21_302646 -NCGC00257402-01 196707378 tox21-ror-cho-viability-p1 set1 4 -11.20566702 -14.84774876 -7.67832556 -21.52902737 -14.87859348 -10.32810009 -21.21324794 -17.72223936 -22.93720186 -16.41945766 -17.59966074 -9.61582694 -13.85576425 -26.68729013 -12.26583029 1.056E-9 2.3609999999E-9 5.279E-9 1.18E-8 2.6399999999E-8 5.902E-8 1.32E-7 2.9509999999E-7 6.599E-7 0.000001476 0.0000032999999999 0.0000073779999999 0.000016499999999 0.00003689 0.000082489999999 53-16-7 5870 144213953 A A Estrone Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)C(=O)CC[C@@H]12)c4cc3 Tox21_303651 -NCGC00091380-04 196707379 tox21-ror-cho-viability-p1 set1 4 1.59996602 0.52697011 -1.00857621 -0.90036751 -0.25148028 -1.37162953 -9.66134585 4.11702368 0.94060319 2.04146275 1.74244398 1.44158542 6.73823712 -0.26209826 2.87669516 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00256965-01 196707777 tox21-ror-cho-viability-p1 set1 4 -4.8967889 -0.9910864 0.54820222 -4.30723917 1.62026713 -9.79406086 1.32599751 5.52110129 -0.34812908 -2.40493997 -0.09841372 1.97897059 0.58914786 -0.35923719 4.96130099 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.000096319999999 123-05-7 31241 144213643 F 2-Ethylhexanal CCC(CCCC)C=O Tox21_303326 -NCGC00016925-11 196705315 tox21-ror-cho-viability-p1 set1 4 -8.99072728 -6.35465652 -2.65845253 -2.47415347 -1.56349413 -1.03709327 -0.04828308 -2.94425812 -1.11179331 -3.60886593 -0.82883777 0.32249522 -0.91129453 -0.43980407 0.3705048 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 73590-58-6 4594 170465443 A Omeprazole Cc3c(OC)c(C)cnc3CS(=O)c1nc2cc(ccc2n1)OC Tox21_110686_1 -NCGC00159518-05 196705303 tox21-ror-cho-viability-p1 set1 4 -6.88603507 -3.66369574 -2.19060049 0.19709659 -2.73616464 2.36552551 -4.81339549 0.18942347 -2.23206716 -5.52415166 -1.4549892 -1.46104604 -1.32653832 0.38452376 -2.19691252 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 117976-90-6 14720269 170464736 Bc Rabeprazole [Na+].Cc3c(OCCCOC)ccnc3CS(=O)c1[n-]c2ccccc2n1 Tox21_111736_1 -NCGC00015226-12 196705308 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -20.380552792 0.5 -19.880552792 4.9549173134 0.9535042948 0.0000057353 0.13775569 -0.17278234 0.2695962 -0.09519927 2.25788761 0.15667074 0.14243931 1.00491942 -0.28961119 -0.22392949 -0.40867333 2.47844663 0.01976208 0.43696217 -17.40046066 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53-19-0 4211 170464927 F Mitotane Clc2ccccc2C(C(Cl)Cl)c1ccc(Cl)cc1 Tox21_110103_1 -NCGC00258824-01 196721333 tox21-ror-cho-viability-p1 set3 4 17.0188970548 7.014534112 -5.514534112 1.5 4.9549173134 0.4185288799 0.2557243786 -8.68397283 -4.63958168 -7.30040262 0.28757611 -7.35353801 -5.28923569 -1.6865692 -6.92298521 -11.26211176 -2.77573242 -1.90418506 -7.88112005 -1.04034213 0.53192318 2.41200695 1.1679999999E-9 2.6109999999E-9 5.838E-9 1.305E-8 2.919E-8 6.5269999999E-8 1.459E-7 3.2629999999E-7 7.297E-7 0.0000016319999999 0.0000036489999999 0.000008159 0.000018239999999 0.000040789999999 0.00009122 51-30-9 5807 144208470 A A Isoproterenol hydrochloride Cl.Oc1ccc(cc1O)C(O)CNC(C)C Tox21_201272 -NCGC00259848-01 196720931 tox21-ror-cho-viability-p1 set3 4 34.096761681 8.624147924 -2.124147924 6.5 4.5044702849 0.630843626 0.0771550623 -1.02466141 2.61479664 -1.905564 -0.93773367 -2.82595221 -3.47398372 -4.51519858 -3.87402732 -5.52012327 0.7002935 -1.9344699 -2.90638038 -1.34349198 4.16415681 6.33434137 1.172E-9 2.621E-9 5.8609999999E-9 1.311E-8 2.9299999999E-8 6.553E-8 1.465E-7 3.276E-7 7.326E-7 0.0000016379999999 0.0000036629999999 0.000008191 0.00001832 0.00004095 0.00009158 57-41-0 1775 144209497 A A 5,5-Diphenylhydantoin O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3 Tox21_202299 -NCGC00163771-03 196720945 tox21-ror-cho-viability-p1 set3 4 27.3060203028 11.8362164079 -6.3362164079 5.5 4.0949729863 0.6796016722 0.0481866291 -9.56820978 -2.72167168 -4.36609093 -0.81344844 -5.27582105 -10.28018034 -7.46110294 -3.49770832 -8.71066958 -6.77318102 -7.72006221 -7.02954143 -3.42027674 2.96848682 5.95574586 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00259809-01 196721328 tox21-ror-cho-viability-p1 set3 4 0.0000519328 -18.96610995 -14.04865966 -11.59597089 -6.52141696 -0.95970143 -1.00070314 -0.70153686 -0.22419253 -0.84738658 5.5133502 4.07461134 3.9205132 4.1719689 -1.08511225 1.8701677 1.208E-9 2.7009999999E-9 6.04E-9 1.3509999999E-8 3.02E-8 6.753E-8 1.51E-7 3.3769999999E-7 7.55E-7 0.0000016879999999 0.000003775 0.000008441 0.00001888 0.00004221 0.000094379999999 3452-97-9 18938 144209458 A A 3,5,5-Trimethyl-1-hexanol CC(C)(C)CC(C)CCO Tox21_202260 -NCGC00259422-01 196721337 tox21-ror-cho-viability-p1 set3 4 0.0212275623 -4.8181896479 1.5 -3.3181896479 4.9549173134 0.3511126335 0.3367842899 -0.11113616 1.97395246 0.62059547 4.71636199 -5.22993945 -3.09103634 -5.5008533 -2.94757008 2.31168156 -3.34890542 -5.03034101 -9.01515804 -1.95502236 1.58349038 1.19185071 1.159E-9 2.5929999999E-9 5.797E-9 1.2959999999E-8 2.8989999999E-8 6.481E-8 1.449E-7 3.241E-7 7.246E-7 0.00000162 0.000003623 0.000008102 0.00001812 0.00004051 0.000090579999999 62-56-6 2723790 144209071 Thiourea NC(N)=S Tox21_201873 -NCGC00259198-01 196721344 tox21-ror-cho-viability-p1 set3 4 31.0745746132 6.8963462281 0.1036537719 7 4.5044702849 0.3703845838 0.3026143015 0.10984049 2.46172268 4.62965126 6.55875394 0.22954168 -2.9706938 -4.49695519 -1.67875307 -1.09731465 -2.78857647 -0.72128065 -1.89504506 0.76638653 5.42890948 6.81312695 1.194E-9 2.67E-9 5.9709999999E-9 1.335E-8 2.986E-8 6.676E-8 1.493E-7 3.338E-7 7.464E-7 0.000001669 0.000003732 0.000008345 0.00001866 0.00004172 0.000093299999999 1760-24-3 15659 144208847 FNS N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine CO[Si](CCCNCCN)(OC)OC Tox21_201649 -NCGC00259718-01 196721347 tox21-ror-cho-viability-p1 set3 4 -9.88584416 -14.23891047 -5.19026547 -7.40693732 -3.70206967 -6.65277267 -8.71614225 -7.86860802 -5.70403903 -8.91387416 -2.68528239 -9.75970118 -7.40987528 -7.18856462 -11.14925858 1.208E-9 2.7E-9 6.038E-9 1.3499999999E-8 3.019E-8 6.751E-8 1.51E-7 3.375E-7 7.548E-7 0.0000016879999999 0.0000037739999999 0.000008439 0.00001887 0.000042189999999 0.000094349999999 13311-84-7 3397 144209367 A A Flutamide O=C(Nc1cc(c(cc1)[N+]([O-])=O)C(F)(F)F)C(C)C Tox21_202169 -NCGC00159337-04 196717611 tox21-ror-cho-viability-p1 set2 -2.2 26.6032120037 -63.444759687 2.5915980879 -60.8531615991 3.5117481694 0.9741212718 2.093E-7 4.31755164 -1.71058703 -1.62576972 2.63802042 6.00655218 -0.02755367 5.77432059 2.34394302 3.78803044 1.88124703 1.2903367 2.34249119 3.26980967 -17.36875318 -52.16148606 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 154598-52-4 64139 170464810 A Efavirenz FC(F)(F)[C@@]3(C#CC1CC1)OC(=O)Nc2ccc(Cl)cc23 Tox21_111582_1 -NCGC00092329-06 196717201 tox21-ror-cho-viability-p1 set2 -2.2 13.3331902297 -36.1397597255 -3.5 -39.6397597255 1.55794881 0.9493132977 0.0000090784 -4.19585276 -6.28096072 -4.96303258 -7.87166523 -1.70741246 -4.09428723 0.95802902 -3.92676519 -0.10189956 -3.88270807 -2.52354199 -8.73141673 -17.7812729 -26.42828829 -35.64891204 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 119431-25-3 60703 170466155 A Eliprodil OC(CN1CCC(CC1)Cc2ccc(F)cc2)c3ccc(Cl)cc3 Tox21_111194_1 -NCGC00015841-11 196717600 tox21-ror-cho-viability-p1 set2 4 0.55885044 -1.86096011 -1.56231613 1.48897185 0.07379287 -1.31916357 2.30518204 1.30829249 1.87816371 1.36224934 -1.24485417 -1.64613129 0.2862038 -0.15348695 4.02351539 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 306-07-0 9373 170465066 Z Pargyline hydrochloride Cl.CN(Cc1ccccc1)CC#C Tox21_110241_1 -NCGC00016522-10 196717610 tox21-ror-cho-viability-p1 set2 4 0.0149600855 8.75751098 -9.75751098 -1 0.6 0.7704906981 0.0142894222 -7.28175096 -10.63125915 -6.20858313 -7.2220524 -4.96326893 -3.9685452 -3.23273423 -2.68240289 -0.69416511 -4.10909972 -2.04397155 -0.19808608 -1.70013769 1.83745675 -3.05490138 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 603-50-9 2391 170464843 A Bisacodyl CC(=O)Oc1ccc(cc1)C(c2ccc(OC(C)=O)cc2)c3ccccn3 Tox21_110472_1 -NCGC00247732-01 196717612 tox21-ror-cho-viability-p1 set2 4 3.25075427 -0.0224177 1.85711707 2.13656599 7.01092611 5.05367286 8.79058946 5.16147228 -0.44808768 1.49605067 -0.6670096 1.55059016 0.98141905 -0.57670774 1.24543434 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 520-52-5 10624 144206451 A A Psilocybin O=P(O)(O)Oc2cccc1ncc(CCN(C)C)c12 Tox21_112898 -NCGC00090701-06 196716324 tox21-ror-cho-viability-p1 set2 4 -0.93823925 0.38773618 -0.20099186 0.098312 -0.58989124 0.63733915 -1.56760168 -1.1981665 -0.53891256 -0.08477664 -3.28222737 -0.64768591 -0.03394518 0.07016801 -0.95991257 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00258756-01 196716313 tox21-ror-cho-viability-p1 set2 4 19.7250219562 -13.904066076 1 -12.904066076 2.7867712143 0.9186362529 0.0001143052 -2.36085231 2.70335563 -0.59963162 1.870866 -0.09578329 1.83364251 0.48821375 2.71552583 2.7648952 0.38818002 -0.10420079 0.24343238 -5.72183223 -11.31619837 -12.83672173 1.1999999999E-9 2.684E-9 6.001E-9 1.3419999999E-8 3.0009999999E-8 6.71E-8 1.5E-7 3.355E-7 7.5019999999E-7 0.000001677 0.0000037509999999 0.000008387 0.00001875 0.000041939999999 0.000093769999999 52806-53-8 91649 144208402 A A Hydroxyflutamide O=C(Nc1cc(c(cc1)[N+]([O-])=O)C(F)(F)F)C(C)(C)O Tox21_201204 -NCGC00258065-01 196716315 tox21-ror-cho-viability-p1 set2 4 61.0684034629 -28.231665372 2 -26.231665372 2.09374246 0.91247261 0.0001655653 2.04740014 3.55408565 5.12491481 3.73090897 1.47012448 1.81597485 1.86464153 0.41249303 5.53426989 -1.02396487 1.57091222 0.09080151 0.09472987 -6.4084329 -18.52638781 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 842-07-9 5858445 144207709 A A C.I. Solvent Yellow 14 Oc3ccc1ccccc1c3/N=N/c2ccccc2 Tox21_200511 -NCGC00091253-05 196716320 tox21-ror-cho-viability-p1 set2 4 -5.19262672 -7.75759646 -0.53157938 -4.92360805 -0.69985744 -1.78544133 -3.13245678 -2.21990433 -0.23842354 -1.74839704 -1.39635698 -0.60372111 1.38597173 0.53489946 1.52740504 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00160622-04 196716718 tox21-ror-cho-viability-p1 set2 4 -0.50675329 0.57529306 0.45131317 0.33419491 4.11467503 2.10120401 0.45314529 -0.8863476 -2.91556444 3.27102016 -0.50951965 -0.1988704 -3.43128594 2.16028774 0.62932422 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 119-13-1 92094 144206758 ND D-delta-Tocopherol CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2cc(O)cc(C)c2O1 Tox21_111941_1 -NCGC00091261-03 196717134 tox21-ror-cho-viability-p1 set2 -2.4 68.5896218971 -26.293274864 0 -26.293274864 4.9549173134 0.7444102781 0.0212585922 -0.34204593 -5.70560858 -5.55689545 -5.95509502 0.3370156 0.4108973 3.51353534 2.73360526 -0.76627378 1.32249697 4.19550617 0.11317978 1.08877744 -0.62797885 -21.49439572 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00256298-01 196709949 tox21-ror-cho-viability-p1 set2 4 68.5896218971 14.2968325919 -0.7968325919 13.5 4.9549173134 0.8378698357 0.0032891888 -0.61035505 0.21836845 -3.16402716 -1.90582541 -0.49634357 0.16044245 0.2913322 -0.23513836 0.63790997 1.48973193 -1.26898148 -1.19098452 -2.25594024 -1.71665225 10.9642912 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15706-73-7 61812 144212627 F Fns Butyl 2-methylbutyrate O=C(OCCCC)C(C)CC Tox21_302310 -NCGC00255598-01 196710352 tox21-ror-cho-viability-p1 set2 4 3.39608137 1.20773632 1.50594098 -0.23928493 -0.0251158 0.98769609 -0.751892 -1.07464844 1.079671 1.43104855 2.7910325 3.0422975 -0.56177272 2.68850052 2.98364513 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-73-7 7403 144211654 A A 4-tert-Butylbenzoic acid CC(C)(C)c1ccc(cc1)C(=O)O Tox21_301337 -NCGC00255901-01 196709952 tox21-ror-cho-viability-p1 set2 4 2.74862067 -2.1207031 2.06462125 1.46382291 -0.29457081 2.74741723 3.03609764 3.39123053 -1.33769102 1.80655137 3.33384224 2.94161314 0.31209935 1.22607776 -1.79774055 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 71-91-0 6285 144212455 Ac Tetraethylammonium bromide [Br-].CC[N+](CC)(CC)CC Tox21_302138 -NCGC00255395-01 196710347 tox21-ror-cho-viability-p1 set2 4 48.5577336745 10.746344912 -0.246344912 10.5 2.4063783767 0.8236456375 0.0048166908 3.18742924 -0.86524739 -0.56203133 0.49395626 -0.10583408 -0.93026614 -0.00372655 -0.85455174 -0.69278664 -2.28862076 -0.87873904 -0.90908442 0.427365 4.31471034 8.65243695 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1746-23-2 15627 144211990 A Ac 4-tert-Butylstyrene CC(C)(C)c1ccc(C=C)cc1 Tox21_301673 -NCGC00255803-01 196710776 tox21-ror-cho-viability-p1 set2 -2.2 21.6899429044 -57.9321110222 -1.042739929 -58.9748509512 0.8999999999 0.9653860032 0.0000010903 -1.21337987 -1.17630385 -0.05737122 -1.4165085 -1.06199036 3.47675463 -6.27579532 -7.69214012 -0.04740055 -1.88983753 -12.80403592 -19.81999038 -27.9613971 -37.17263182 -46.95064466 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81-88-9 6694 144211767 A A Rhodamine B [Cl-].O=C(O)c4ccccc4c1c3ccc(cc3[o+]c2cc(ccc12)N(CC)CC)N(CC)CC Tox21_301450 -NCGC00255553-01 196710785 tox21-ror-cho-viability-p1 set2 4 -1.22860962 2.42385582 0.46378806 -0.27860394 -0.28991262 -0.04653193 -2.97077493 -1.89113542 -1.90584323 -2.36058022 -2.75903837 0.12331628 2.08003749 -1.74930199 -4.8766062 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2444-46-4 2998 144211535 A A Nonivamide Oc1ccc(cc1OC)CNC(=O)CCCCCCCC Tox21_301218 -NCGC00255189-01 196711186 tox21-ror-cho-viability-p1 set2 4 -4.20067694 -0.23116875 -1.94599323 -2.2189564 1.35869526 -2.21934088 -2.08399689 -9.20831096 -0.8280317 -2.03172381 -7.64332337 2.26419754 -2.16576046 -0.01396006 -2.14068953 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14484-47-0 189821 144211732 A A Deflazacort CC(=O)OCC(=O)[C@@]54N=C(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_301415 -NCGC00260553-01 196711194 tox21-ror-cho-viability-p1 set2 4 -9.25923278 -5.60768225 -10.10768066 -18.81534591 -12.11311567 -4.95880743 0 -20.69670367 0 -8.39579295 -26.87913937 -21.52736173 0 -4.20887502 8.54363467 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49449 144210206 M M NTP Mix61 CT1 62-EQP Tox21_203008 -NCGC00260673-01 196711593 tox21-ror-cho-viability-p1 set2 4 -3.3135739 0.38364376 -3.58028772 -4.55155958 -2.08887359 -7.06970437 -8.32439861 -18.80228005 -3.53593344 -9.79920169 -0.59805929 -6.0920646 0.08345977 -4.96302434 4.35763364 6.0249999999E-10 1.347E-9 3.012E-9 6.736E-9 1.506E-8 3.368E-8 7.531E-8 1.684E-7 3.7659999999E-7 8.4199999999E-7 0.000001883 0.0000042099999999 0.000009414 0.00002105 0.000047069999999 538-41-0 10855 144209784 A A 4,4'-Diaminoazobenzene Nc2ccc(/N=N/c1ccc(N)cc1)cc2 Tox21_202586 -NCGC00260050-01 196711597 tox21-ror-cho-viability-p1 set2 4 -2.97922436 -3.05219793 -3.25478461 -6.67842086 -4.01665928 -4.16196214 -4.64453785 -11.94153323 -7.97791449 -1.62626011 -7.68614328 -6.43791215 0 -11.76511251 -5.48555048 1.1859999999E-9 2.651E-9 5.928E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009262 10026-24-1 61444 144209699 Cobalt sulfate heptahydrate O.O.O.O.[Co+2].O.O.O.[O-]S([O-])(=O)=O Tox21_202501 -NCGC00260424-01 196711600 tox21-ror-cho-viability-p1 set2 4 -0.81968543 -0.19342169 -0.19779438 -3.7767665 0.18796928 0.14599674 -2.83611725 -2.16420287 -7.29983842 -1.04524013 -3.7138866 1.50725191 0 0.00634226 -4.05512934 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.629E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008287 0.00001853 0.000041429999999 0.00009265 92841-65-1 6931391 144210076 A A (4R,5S)-(-)-1,5-Dimethyl-4-phenyl-2-imidazolidinone C[C@@H]2N(C)C(O)=N[C@@H]2c1ccccc1 Tox21_202878 -NCGC00260466-01 196711603 tox21-ror-cho-viability-p1 set2 4 0.0012784963 -26.84468456 -17.51094954 6.15546581 5.66166695 7.36139252 -0.41794642 7.34350075 6.0110222 9.59631524 9.04633607 8.16579971 -0.04573235 8.36229157 14.89360742 11.08565111 1.211E-9 2.709E-9 6.0569999999E-9 1.3539999999E-8 3.029E-8 6.772E-8 1.514E-7 3.386E-7 7.5719999999E-7 0.000001693 0.000003786 0.000008465 0.00001893 0.000042329999999 0.00009465 491-36-1 63112 144210118 A A 4-Hydroxyquinazoline O=C2NC=Nc1ccccc12 Tox21_202920 -NCGC00357066-01 196711607 tox21-ror-cho-viability-p1 set2 4 -4.2458726 -6.21427937 -10.8348639 -5.80840804 -8.48981369 -10.91652854 -6.45872323 -11.23710489 -8.8598911 0 0 0 -7.75526732 -17.65335738 -19.22197752 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135-02-4 8658 251919864 A 2-Methoxybenzaldehyde COc1ccccc1C=O Tox21_303774 -NCGC00256717-01 196707389 tox21-ror-cho-viability-p1 set1 4 19.7419342287 7.5348516359 -12.2454322039 -4.710580568 4.0949729863 0.3884587603 0.2843293687 -13.64485291 -7.38041389 -7.9781462 -12.51214258 -13.44029495 -15.78999602 -9.16154376 -8.54318833 -17.28786017 -16.55034898 -8.67465832 -15.62121798 -9.00926865 -6.2594325 -3.50881714 1.0909999999E-9 2.44E-9 5.4559999999E-9 1.22E-8 2.7279999999E-8 6.0999999999E-8 1.3639999999E-7 3.05E-7 6.82E-7 0.0000015249999999 0.00000341 0.000007625 0.00001705 0.00003813 0.00008525 151-73-5 65478 144212784 A F Betamethasone 21-phosphate disodium [Na+].[Na+].[O-]P([O-])(=O)OCC(=O)[C@@]4(O)[C@@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_302467 -NCGC00257015-01 196707404 tox21-ror-cho-viability-p1 set1 4 -19.35981624 -17.2438068 -16.45031058 -11.84287472 -13.07001724 -20.63322703 -14.0636089 -26.42790791 -22.07775478 -21.74012636 -23.03684556 -18.55577002 -11.53598902 -16.58613883 -17.62654954 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 673-84-7 5368821 144213561 Z F 2,6-Dimethyl-2,4,6-octatriene C\C(C)=C\C=C\C(\C)=C\C Tox21_303244 -NCGC00255407-01 196706975 tox21-ror-cho-viability-p1 set1 -2.4 43.2771256911 -31.1772397119 0 -31.1772397119 1.9673362061 0.7410453821 0.0222694915 -0.7762235 -0.70918684 0.48134928 2.20397 0.23025665 -0.52285596 -0.97703366 6.96915718 1.57442214 -0.70894033 -13.680779 0.03223213 -1.03799206 -16.76739028 -25.14769976 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1987-50-4 16143 144211865 A A 4-Heptylphenol Oc1ccc(CCCCCCC)cc1 Tox21_301548 -NCGC00091839-03 196706988 tox21-ror-cho-viability-p1 set1 4 0.0038570779 9.898462128 -7.398462128 2.5 0.8999999999 0.5059246265 0.3782960085 -32.31503509 -4.49871844 -0.15489677 0.69795883 0.75110867 -0.63701671 3.35091746 0.3647439 3.99516191 4.96133058 3.02973681 5.73166012 0.96140675 -0.46635501 -7.25293036 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00256637-01 196707800 tox21-ror-cho-viability-p1 set1 -2.4 39.2603958827 -25.6716758919 -0.5 -26.1716758919 3.0654483358 0.9466869949 0.000012013 -1.18264178 0.36212653 0.28258372 0.12538216 -2.40902074 0.29346241 -0.49981562 -0.66146216 -3.15606266 -2.76264737 -0.14709263 0.66048731 1.42021525 -12.95492158 -24.30972991 1.088E-9 2.4329999999E-9 5.44E-9 1.216E-8 2.72E-8 6.082E-8 1.36E-7 3.041E-7 6.8E-7 0.000001521 0.0000033999999999 0.0000076029999999 0.000017 0.00003801 0.000084999999999 3697-42-5 9571016 144213006 Z A Chlorhexidine dihydrochloride Cl.Cl.Clc2ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)cc2 Tox21_302689 -NCGC00256722-01 196707803 tox21-ror-cho-viability-p1 set1 4 -13.51411636 -11.07654083 -8.62600746 -7.51408426 -8.94091534 -15.32086551 -7.24894888 -20.71562299 -12.7058724 -18.50165718 -15.46440017 -8.21183001 -4.41826395 -15.20127593 -20.14050433 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 8000-34-8 144212855 M M Clove leaf oil Tox21_302538 -NCGC00256971-01 196707809 tox21-ror-cho-viability-p1 set1 4 1.0870722482 -8.940849688 0 -8.940849688 3.5722481694 0.6591594681 0.0702513138 -3.21385506 -1.48208602 -1.09269106 -2.23652209 0.98128833 4.57318131 1.43870761 2.38478214 -2.04324116 -6.66093904 -10.6532573 -14.11737474 -8.78369619 -2.38993229 -2.87682579 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-42-7 7335 144213422 A I Carvyl acetate O=C(C)OC1CC(CC=C1C)C(=C)C Tox21_303105 -NCGC00256794-01 196707820 tox21-ror-cho-viability-p1 set1 4 6.3254381708 10.0234389081 1.4765610919 11.5 0.6 0.5061816468 0.1742127372 5.17716717 0.35709938 0.55698074 0.79396799 4.02153255 -2.93619909 4.80712022 4.85294186 3.61200814 4.431999 1.45836771 9.53664839 10.86450138 4.63228996 11.14661208 1.103E-9 2.466E-9 5.515E-9 1.233E-8 2.758E-8 6.166E-8 1.3789999999E-7 3.083E-7 6.894E-7 0.000001542 0.0000034469999999 0.000007708 0.000017239999999 0.00003854 0.00008618 25339-09-7 91410 144213943 Fns Isocetyl stearate CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC(C)C Tox21_303638 -NCGC00257186-01 196708227 tox21-ror-cho-viability-p1 set1 -1.1 17.2289340586 -79.0999711987 3.2905062299 -75.8094649688 1.5094870999 0.9900378713 8E-10 1.46830837 1.8749407 5.16410205 4.6622722 1.71986881 1.80865681 5.77361406 2.77169822 0.12737054 1.99059589 0.37382165 -21.82782459 -36.30993264 -60.61749748 -68.41626134 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-10-5 14868 144213540 A A Tribromsalan Oc1c(cc(Br)cc1Br)C(=O)Nc2ccc(Br)cc2 Tox21_303223 -NCGC00259136-01 196708641 tox21-ror-cho-viability-p1 set2 -3 27.1394921295 -38.9792399447 -1.978354308 -40.9575942527 4.9549173134 0.8864011519 0.0010400301 -3.342177 -0.4009634 -3.78297442 -6.37114346 -0.26262484 -3.71201507 0.21087107 -2.94736966 -4.6055513 0.69244042 -1.52580455 -5.19827927 2.1193824 -42.66416068 -4.63548557 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.00009175 56-93-9 5963 144208785 A A Benzyltrimethylammonium chloride [Cl-].C[N+](C)(C)Cc1ccccc1 Tox21_201587 -NCGC00163735-04 196708645 tox21-ror-cho-viability-p1 set2 4 2.41524112 2.80804835 -0.60542683 -0.10067406 -0.62766188 -1.20473466 0.40647603 -0.07668636 -0.18365465 -1.29779475 -0.52371112 -0.68523695 -0.27178649 -3.10169642 -3.25619002 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00254572-01 196720581 tox21-ror-cho-viability-p1 set3 4 9.8617655713 36.49941926 -16.49941926 20 0.2 0.6625724869 0.056924225 -10.71389005 -16.24951605 -8.09272101 -1.91665043 -11.50499452 -8.00573255 -1.65869117 -4.76957271 -2.24691746 -3.04853408 -1.22711468 1.16360078 -0.33131329 -1.44584297 13.83768459 1.088E-9 2.4339999999E-9 5.441E-9 1.2169999999E-8 2.721E-8 6.084E-8 1.36E-7 3.042E-7 6.802E-7 0.000001521 0.0000034009999999 0.000007605 0.000017 0.00003802 0.00008502 102-87-4 7624 144210981 FNS Tridodecylamine CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC Tox21_300664 -NCGC00254521-01 196720169 tox21-ror-cho-viability-p1 set3 4 0.5448267328 -10.6765806799 7.5 -3.1765806799 4.9549173134 0.5680484776 0.1209304217 4.31919438 2.44340739 7.20098222 -0.50619318 9.87740616 8.03176724 15.48463443 15.46490415 -6.88749837 -1.10729815 -0.19180185 -4.02472807 -0.45234126 -2.40732648 -8.4804839 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-70-8 7309 144210708 A A 2-tert-Butyl-4-ethylphenol CC(C)(C)c1cc(ccc1O)CC Tox21_300390 -NCGC00254366-01 196720564 tox21-ror-cho-viability-p1 set3 4 -4.03325441 -5.4648081 -8.39276908 -0.7475517 -1.49656574 -0.82722713 -3.73273013 0.43737344 -2.70370896 -0.58452915 -2.51131508 -0.80669685 -4.71874904 -0.07879658 -1.07479549 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33820-53-0 36606 144210740 A A Isopropalin [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)C(C)C Tox21_300422 -NCGC00254774-01 196720580 tox21-ror-cho-viability-p1 set3 4 0.1368542878 -11.9587748201 12.5 0.5412251799 1.6604358099 0.7396402703 0.0227932752 12.95365601 10.87472739 10.6357977 10.29761705 18.96049979 5.18149614 7.50056386 2.98311895 1.12031501 -0.85354397 1.54759911 6.39110602 -0.62439803 -4.13231235 -0.6211728 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18480-53-0 49837 144211187 Ac 3,4-Dichloro-5-isothiazolecarboxylic acid OC(=O)c1snc(Cl)c1Cl Tox21_300870 -NCGC00259320-01 196720976 tox21-ror-cho-viability-p1 set3 4 31.7315680306 10.92944622 -4.92944622 6 4.9549173134 0.6823116163 0.0469693288 -5.0520826 -4.8204637 -3.33561379 1.52779829 -3.74352362 -5.42223892 -6.49221875 -7.85787185 -4.4965271 -3.28494734 -3.89127536 -7.52802721 -6.18075894 4.53911561 5.31694906 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.397E-7 7.5949999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004246 0.00009494 101-83-7 7582 144208969 A Fns Dicyclohexylamine C1CCCCC1NC2CCCCC2 Tox21_201771 -NCGC00259512-01 196720978 tox21-ror-cho-viability-p1 set3 4 2.9398852 3.53361522 -9.67913532 -4.83471565 3.08427406 0.71655882 -0.41083752 3.20052241 1.50731941 4.0744248 2.71538723 3.44178027 2.80136033 6.21061462 -3.31295431 1.175E-9 2.628E-9 5.877E-9 1.314E-8 2.9389999999E-8 6.571E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003673 0.000008214 0.00001837 0.00004107 0.00009183 99-66-1 3121 144209161 A A Valproic acid CCCC(CCC)C(=O)O Tox21_201963 -NCGC00259353-01 196720990 tox21-ror-cho-viability-p1 set3 4 -5.60828093 -3.45160736 -3.37224358 -2.48560403 -6.09388571 -0.35714578 -6.44822941 -6.62504234 -6.88412318 -3.36706772 -5.5482413 -5.13577626 -3.19538965 -1.98851406 -7.15352251 1.191E-9 2.663E-9 5.955E-9 1.332E-8 2.978E-8 6.6579999999E-8 1.489E-7 3.3289999999E-7 7.4439999999E-7 0.000001665 0.0000037219999999 0.000008323 0.00001861 0.000041609999999 0.00009305 14371-10-9 637511 144209002 A A (2E)-3-Phenylprop-2-enal O=C\C=C\c1ccccc1 Tox21_201804 -NCGC00259216-01 196720991 tox21-ror-cho-viability-p1 set3 4 0.4253002693 23.041888676 -15.041888676 8 0.2 0.4284300888 0.244898472 -1.71266232 -20.03490723 -12.98043063 -0.45007267 -3.48640563 -4.88790765 -4.6853849 -3.48951531 -5.2585817 -1.85147961 -3.33353747 -1.46454629 0.90983634 4.25446169 2.34942706 1.163E-9 2.601E-9 5.817E-9 1.301E-8 2.908E-8 6.503E-8 1.454E-7 3.252E-7 7.2709999999E-7 0.0000016259999999 0.0000036349999999 0.000008129 0.00001818 0.00004064 0.00009088 93-65-2 7153 144208865 A A Mecoprop Clc1cc(C)c(OC(C)C(=O)O)cc1 Tox21_201667 -NCGC00259538-01 196720995 tox21-ror-cho-viability-p1 set3 4 0.0242375538 -5.218179908 2.5 -2.718179908 4.9549173134 0.3363027869 0.3504204512 -2.302582 3.52476346 -0.82752796 10.01670181 -3.75851336 -4.632584 -4.39945409 -2.35385669 -5.18181659 -1.25821537 -2.923563 0.89043508 -0.88711605 -1.24240487 1.82437513 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.4699999999E-7 3.2859999999E-7 7.3479999999E-7 0.000001643 0.000003674 0.0000082159999999 0.00001837 0.00004108 0.00009185 123-99-9 2266 144209187 A A Nonanedioic acid O=C(O)CCCCCCCC(=O)O Tox21_201989 -NCGC00259774-01 196721393 tox21-ror-cho-viability-p1 set3 4 13.3520946101 9.1939622119 -11.2832264639 -2.089264252 2.7202212143 0.3841985576 0.2875764382 -14.11560113 -10.00000117 -6.77986683 -6.82095246 -8.68725615 -14.58545597 -14.29484623 -16.90268872 -15.51419906 -0.90772021 -13.31267847 -9.95376251 -4.65592666 -1.46988749 -3.35449495 1.156E-9 2.585E-9 5.779E-9 1.292E-8 2.8899999999E-8 6.461E-8 1.4449999999E-7 3.231E-7 7.224E-7 0.000001615 0.000003612 0.0000080769999999 0.000018059999999 0.00004038 0.0000903 542-76-7 10963 144209423 A A 3-Chloropropionitrile ClCCC#N Tox21_202225 -NCGC00254100-01 196719759 tox21-ror-cho-viability-p1 set3 4 11.09480445 0.05648187 -1.10172005 3.400615 7.2629116 8.34667848 4.31076212 -0.54751006 2.00445366 2.42530369 4.36700103 1.02396959 0.79031385 3.65066056 -0.29747882 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33703-08-1 6427097 144210611 D Hexanedioic acid, diisononyl ester CC(C)CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C Tox21_300291 -NCGC00257475-01 196719351 tox21-ror-cho-viability-p1 set2 4 0.88892014 1.09954216 1.58203042 2.34716057 1.91310324 7.81610591 0.63652127 7.13014166 3.05549446 3.73353487 3.40558166 0.98337087 3.52970861 4.03657108 2.9873307 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6484-52-2 22985 144213829 Ac Ammonium nitrate [NH4+].[O-][N+]([O-])=O Tox21_303522 -NCGC00258459-01 196729699 tox21-ror-cho-viability-p1 set3 4 -1.51355517 -1.71709333 0.20931817 -0.06676674 -3.09691475 -3.0515469 -2.45743472 0.79009647 0.10912588 0 -2.49899215 -2.4758581 -9.35229681 -0.252061 -4.89480056 1.2319999999E-9 2.755E-9 6.1599999999E-9 1.3769999999E-8 3.08E-8 6.887E-8 1.54E-7 3.444E-7 7.6999999999E-7 0.000001722 0.0000038499999999 0.000008609 0.00001925 0.000043039999999 0.00009625 75-89-8 6409 144208103 A 2,2,2-Trifluoroethanol FC(F)(F)CO Tox21_200905 -NCGC00257795-01 196729289 tox21-ror-cho-viability-p1 set3 4 0.50782715 -13.07961193 -0.93493101 -0.26231005 -0.02432132 0.68727928 -7.4690508 0.87793187 -7.13131692 -1.09860187 1.12710804 1.13685504 1.18853359 1.22002359 2.37118554 1.1759999999E-9 2.63E-9 5.8799999999E-9 1.315E-8 2.94E-8 6.574E-8 1.4699999999E-7 3.2869999999E-7 7.35E-7 0.000001643 0.0000036749999999 0.000008217 0.00001837 0.00004109 0.00009187 110-18-9 8037 144207439 F N,N,N',N'-Tetramethylethylenediamine CN(C)CCN(C)C Tox21_200241 -NCGC00091163-03 196729290 tox21-ror-cho-viability-p1 set3 4 -4.92135824 -6.561016 -7.6339434 -6.78713169 -0.52758703 -4.64148905 -4.70721148 -3.96069282 -4.00452594 0.03321673 0.74146688 0.92779517 -4.2496845 0.34757511 0.99134879 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00258322-01 196729300 tox21-ror-cho-viability-p1 set3 4 -0.42539859 0.15954038 0.71321631 1.29888301 -0.12577137 0.71687918 1.63694197 1.39050182 -0.76170841 0.52252075 -1.39651266 1.79950554 1.84336489 -0.40967856 0.95922459 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.65E-8 1.487E-7 3.325E-7 7.435E-7 0.000001663 0.000003718 0.000008313 0.00001859 0.00004156 0.000092939999999 304680-36-2 2734243 144207966 A A 1-Methyl-3-octylimidazolium hexafluorophosphate F[P-](F)(F)(F)(F)F.C[n+]1ccn(CCCCCCCC)c1 Tox21_200768 -NCGC00257981-01 196729712 tox21-ror-cho-viability-p1 set3 4 1.06664292 0.66590461 0.54698479 1.52484656 -0.33424552 0.69840354 0.6319 2.33553175 2.63434589 -0.35746389 0.0860036 0.00115172 0.40623411 -2.07118121 -2.88390924 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 84-77-5 6788 144207625 AC A Didecyl phthalate O=C(OCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC Tox21_200427 -NCGC00257828-01 196730109 tox21-ror-cho-viability-p1 set3 4 0.67723362 -4.39708188 2.10250419 -5.37878822 0.51357607 2.50165756 -0.55340752 -5.71363328 -1.542282 -0.76126932 -5.91916173 -7.38249953 9.23654374 -2.73888469 2.16736481 1.1509999999E-9 2.5739999999E-9 5.7559999999E-9 1.2869999999E-8 2.878E-8 6.436E-8 1.4389999999E-7 3.218E-7 7.195E-7 0.000001609 0.0000035979999999 0.000008044 0.00001799 0.00004022 0.00008994 105-57-7 7765 144207472 FNS Acetal CC(OCC)OCC Tox21_200274 -NCGC00258488-01 196730110 tox21-ror-cho-viability-p1 set3 4 0.3079371036 -10.1646738479 -0.5 -10.6646738479 2.7202212143 0.376523221 0.3104219438 -2.43575236 0.5242613 -1.88424872 0.70386171 -0.95797881 0.24519358 -3.58421134 -1.38154365 -20.22941404 -8.59843982 -23.47056154 -1.18367591 -9.13544559 -2.12783165 0.01192512 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.312E-7 7.405E-7 0.000001656 0.000003702 0.000008279 0.00001851 0.0000414 0.00009256 8001-79-4 144208132 M Fns Castor oil Tox21_200934 -NCGC00258632-01 196730119 tox21-ror-cho-viability-p1 set3 4 77.6637265632 -14.914728332 -0.5 -15.414728332 4.9549173134 0.6716062154 0.0527461565 0.67696579 -7.27318439 -0.93521013 -1.91190424 0.98296905 -0.53945182 0.37357933 -0.97759369 -0.06649758 -0.05994291 -0.63353839 0.8054602 0.46953952 0.16895921 -12.01227361 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.971E-8 6.6439999999E-8 1.486E-7 3.3219999999E-7 7.428E-7 0.0000016609999999 0.000003714 0.000008305 0.00001857 0.00004152 0.00009285 29927-08-0 34757 144208277 A A 2-Amino-5,6-dimethylbenzothiazole Cc1cc2nc(N)sc2cc1C Tox21_201079 -NCGC00257660-01 196730124 tox21-ror-cho-viability-p1 set3 4 -1.36528224 1.55941196 1.22322487 1.24350316 2.06380564 1.77014063 1.70881116 3.19526167 3.19217153 3.60547813 3.10059977 1.11426745 0.53728945 1.73479923 0.40711443 1.195E-9 2.6729999999E-9 5.9769999999E-9 1.337E-8 2.989E-8 6.683E-8 1.494E-7 3.341E-7 7.4709999999E-7 0.000001671 0.000003736 0.000008353 0.000018679999999 0.00004177 0.00009339 59-14-3 6035 144207304 A A 5-Bromo-2'-deoxyuridine BrC1=CN(C(=O)NC1=O)[C@H]2C[C@H](O)[C@@H](CO)O2 Tox21_200106 -NCGC00164168-02 196730132 tox21-ror-cho-viability-p1 set3 4 1.47996854 1.71661316 -0.97186019 -0.00455494 -0.92663661 0.29055961 -1.02312948 -0.35544751 -5.78812273 0.30918798 -4.48735336 -3.16070892 -1.09142262 0.08751518 -1.16876052 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00257734-01 196730529 tox21-ror-cho-viability-p1 set3 4 1.94820084 -0.90054927 -0.49723928 -1.54615213 0.3705121 -6.23708332 -0.46141513 -0.07350686 -0.73379795 0.76939269 -0.57386225 -0.33526747 -0.36883187 0.47663681 -1.7533356 1.1699999999E-9 2.6159999999E-9 5.85E-9 1.3079999999E-8 2.925E-8 6.54E-8 1.462E-7 3.27E-7 7.3119999999E-7 0.000001635 0.000003656 0.000008176 0.00001828 0.00004088 0.00009141 32210-23-4 36081 144207378 I 4-tert-Butylcyclohexyl acetate O=C(C)OC1CCC(CC1)C(C)(C)C Tox21_200180 -NCGC00257766-01 196730544 tox21-ror-cho-viability-p1 set3 4 1.3743027 0.53063749 -0.84975395 -0.23687616 -0.25092963 0.38314176 -2.6203396 -0.57278779 -1.86517223 -2.3932418 -0.30897752 -0.4152835 0.97913029 1.17515606 -1.02901606 1.203E-9 2.69E-9 6.015E-9 1.345E-8 3.0079999999E-8 6.725E-8 1.504E-7 3.3629999999E-7 7.519E-7 0.0000016809999999 0.0000037599999999 0.000008407 0.0000188 0.00004203 0.000093989999999 88917-22-0 3035467 144207410 FNS Dipropyleneglycol methyl ether acetate O=C(C)OC(CC)OCCCOC Tox21_200212 -NCGC00256761-01 196726869 tox21-ror-cho-viability-p1 set3 4 1.30066813 -1.53524214 0.03106226 2.93552955 -1.08995798 2.80539698 2.41148151 0.64563829 0.88519905 2.27230754 1.88136489 3.22229511 0.87429075 0.33701731 -0.87414667 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1577-03-3 5388510 144212842 A A 1-(4-Chlorophenyl)-4,4-dimethylpent-1-en-3-one Clc1ccc(/C=C/C(=O)C(C)(C)C)cc1 Tox21_302525 -NCGC00256121-01 196709976 tox21-ror-cho-viability-p1 set2 4 68.5896218971 14.364148316 -1.364148316 13 3.6772481694 0.6990417166 0.0392450922 -5.30345693 -2.68317244 -3.12452949 -0.45494531 -0.35556169 -0.31275541 -2.33478283 -1.15619066 -0.40490657 -2.05456066 -0.6372577 -0.51156011 3.22153098 0.27423484 9.49280321 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-40-4 67065 144212119 A Cc 4-Hydroxy-7-(phenylamino)naphthalene-2-sulfonic acid O=S(=O)(O)c1cc(O)c2ccc(cc2c1)Nc3ccccc3 Tox21_301802 -NCGC00255333-01 196709970 tox21-ror-cho-viability-p1 set2 -2.1 61.130564862 -98.3789261283 0.5070618039 -97.8718643244 3.2474983358 0.9831534078 1.76E-8 7.37493929 -1.23315257 -2.27639964 4.49053636 -0.46565488 2.12488315 0.13888159 1.29613223 -2.99003136 0.28359728 0.27361201 0.37626518 -4.55890342 -20.26173548 -77.55444267 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 313-06-4 9403 144212135 F A Estradiol cypionate Oc4cc5CC[C@@H]1[C@H](CC[C@]2(C)[C@H](CC[C@@H]12)OC(=O)CCC3CCCC3)c5cc4 Tox21_301818 -NCGC00255479-01 196709973 tox21-ror-cho-viability-p1 set2 4 -2.58571501 0.47351827 2.44279363 -1.09843329 0.21874955 -0.11930843 -5.63713826 2.03873672 2.45686819 -0.85003586 2.06468628 -3.27260896 1.04887851 -1.72810284 -1.7720993 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 32889-48-8 36274 144212221 A A Procyazine Clc2nc(NC1CC1)nc(NC(C)(C)C#N)n2 Tox21_301904 -NCGC00015060-14 196710384 tox21-ror-cho-viability-p1 set2 4 76.4894813809 16.3773068599 -1.3773068599 15 4.9549173134 0.5063784551 0.1735070852 -6.88109435 -0.95452193 -1.83932489 -0.90201895 5.28385335 1.16515349 -1.29802923 -1.86807186 -0.22155895 0.24434659 -1.0656057 -8.23108905 -1.07601265 -4.59845199 11.51911455 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00255962-01 196710385 tox21-ror-cho-viability-p1 set2 4 4.11332746 0.9723537 0.21616314 3.89172794 1.52220143 1.64409382 1.97471947 1.63852189 0.17665571 1.37891232 0.54363308 0.62064094 1.67777034 1.93007981 5.24359757 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2761-24-2 17695 144212187 F F Triethoxypentylsilane CCO[Si](OCC)(OCC)CCCCC Tox21_301870 -NCGC00255987-01 196710789 tox21-ror-cho-viability-p1 set2 4 2.29663851 4.15807591 4.50923326 1.67299597 0.65651549 0.12864048 0.89488382 -0.02408629 0.02772166 1.14908702 2.91353754 0.87249994 -0.02389697 3.90516553 0.08431993 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23089-26-1 442343 144211692 C A Levomenol CC1=CC[C@H](CC1)[C@](O)(C)CC\C=C(/C)C Tox21_301375 -NCGC00255971-01 196710794 tox21-ror-cho-viability-p1 set2 4 61.130564862 8.701741088 0.298258912 9 3.9294729863 0.3676463075 0.3064433722 -1.28805103 0.68131024 -0.51436059 8.30603502 2.54573325 -0.17202922 0.07626536 -0.09815369 -1.53767603 -1.67010013 -0.80608767 -1.83478424 0.43402986 1.72448766 7.52578535 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7758-09-0 516910 144211639 Potassium nitrite [K+].[O-]N=O Tox21_301322 -NCGC00255898-01 196710796 tox21-ror-cho-viability-p1 set2 -1.1 21.6899429044 -81.8518645059 0.9127600139 -80.939104492 4.9549173134 0.9945340123 0 6.29915496 1.93533422 1.74932255 -0.51581356 1.79079722 -0.32697115 -1.50420444 1.46595518 -1.49536113 -1.32601505 2.35996533 2.17918107 -24.18266939 -79.15487833 -79.5732449 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 587-85-9 11488 144211643 F A Diphenylmercury(II) c1ccccc1[Hg]c2ccccc2 Tox21_301326 -NCGC00255596-01 196710798 tox21-ror-cho-viability-p1 set2 4 3.08097082 0.88629087 1.038263 -0.12645046 0.82395553 0.77415315 0.9876724 3.64379353 -0.81396909 -1.6306206 1.40425125 -0.98112831 -0.32011924 1.41720041 1.30156919 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 1713-15-1 15580 144212720 A A 2,4-D-isobutyl Clc1cc(Cl)ccc1OCC(=O)OCC(C)C Tox21_302403 -NCGC00255538-01 196710800 tox21-ror-cho-viability-p1 set2 4 43.2771256911 14.8208137439 -3.8208137439 11 0.2 0.6483970406 0.0668470171 -1.755316 -1.58985181 -2.41758858 -1.42641543 -3.60067812 0.16963851 0.05301962 1.496637 1.76701764 1.51732459 1.93595265 2.12551101 1.77687197 0.30584741 7.75065615 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33089-74-6 36326 144212063 F Fns N'-(2,4-Dimethylphenyl)-N-methylformamidine Cc1ccc(\N=C\NC)c(C)c1 Tox21_301746 -NCGC00260398-01 196711203 tox21-ror-cho-viability-p1 set2 -2.4 62.8753363185 -34.239454456 -4 -38.239454456 3.5117481694 0.8879092846 0.4633363792 -7.79413554 -10.43808744 -5.73630377 -8.01118147 -17.46443462 -25.77888234 0 -17.73838882 -1.84984844 -6.86936634 -7.45025505 0 0 -10.74000054 -31.44954538 1.208E-9 2.702E-9 6.041E-9 1.3509999999E-8 3.02E-8 6.754E-8 1.51E-7 3.3769999999E-7 7.551E-7 0.0000016879999999 0.000003775 0.000008442 0.00001888 0.00004221 0.00009439 592-42-7 11598 144210050 Fns 1,5-Hexadiene C=CCCC=C Tox21_202852 -NCGC00259063-01 196709163 tox21-ror-cho-viability-p1 set2 4 4.57259487 0.91736886 3.67160979 2.25547036 -0.00503648 -0.15031709 0.93771821 -2.16205097 1.06695307 3.48842749 1.98744963 -0.00019524 0.75230752 -0.16340247 2.87021126 1.196E-9 2.6749999999E-9 5.981E-9 1.337E-8 2.9899999999E-8 6.6869999999E-8 1.4949999999E-7 3.3429999999E-7 7.476E-7 0.0000016719999999 0.0000037379999999 0.000008358 0.00001869 0.00004179 0.00009345 461-58-5 10005 144208711 Cyanoguanidine N=C(N)NC#N Tox21_201513 -NCGC00259554-01 196708674 tox21-ror-cho-viability-p1 set2 4 0.71738241 1.17208663 2.47851192 3.10922661 -0.9500072 -0.96008104 -1.43905812 1.05542815 3.37648867 -1.17281981 -1.60551437 3.46163452 2.73883199 1.51555037 -0.78932876 1.1919999999E-9 2.6659999999E-9 5.962E-9 1.333E-8 2.981E-8 6.6659999999E-8 1.491E-7 3.3329999999E-7 7.4529999999E-7 0.0000016669999999 0.000003726 0.000008333 0.00001863 0.00004166 0.00009316 56-38-2 991 144209203 A A Parathion S=P(Oc1ccc(cc1)[N+]([O-])=O)(OCC)OCC Tox21_202005 -NCGC00259318-01 196708676 tox21-ror-cho-viability-p1 set2 4 22.8864372886 7.855728128 0.144271872 8 0.8999999999 0.4432302465 0.2529300437 1.2677973 0.06133468 -4.87977344 3.81092607 -0.46431154 0.90143601 -0.39489448 2.20014851 0.51029345 0.5489131 1.6262666 1.11262504 3.98458805 6.12252789 2.78745616 1.234E-9 2.7599999999E-9 6.171E-9 1.38E-8 3.086E-8 6.9E-8 1.543E-7 3.45E-7 7.7139999999E-7 0.000001725 0.000003857 0.000008625 0.00001929 0.000043119999999 0.00009643 110-17-8 444972 144208967 A A Fumaric acid O=C(O)/C=C/C(=O)O Tox21_201769 -NCGC00259176-01 196708678 tox21-ror-cho-viability-p1 set2 4 48.5577336745 -18.305669228 0 -18.305669228 3.0654483358 0.7966122919 0.008607337 1.97797394 -0.13549604 0.22187947 -5.2642796 4.03165752 1.53528288 -1.05972867 0.64145372 0.9693557 -0.02297491 -3.36051654 -1.68684841 0.1465407 -6.9108365 -16.08805769 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041219999999 0.00009218 20265-96-7 5284363 144208825 A A 4-Chloroaniline hydrochloride Cl.Nc1ccc(Cl)cc1 Tox21_201627 -NCGC00259289-01 196709077 tox21-ror-cho-viability-p1 set2 4 0.0210467 3.3649536 0.13974669 3.92727811 -0.66686481 -0.63454121 0.88557678 3.74975787 -1.14974189 -0.40447857 -0.2178602 -0.6561607 -0.16001984 3.14915183 3.98405675 1.19E-9 2.661E-9 5.949E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003718 0.000008314 0.00001859 0.00004157 0.000092959999999 117-08-8 8326 144208938 Tetrachlorophthalic anhydride O=C1OC(=O)c2c1c(Cl)c(Cl)c(Cl)c2Cl Tox21_201740 -NCGC00091902-08 196709087 tox21-ror-cho-viability-p1 set2 -2.2 27.3060203028 -32.100531732 0.5 -31.600531732 2.6384283767 0.9911738756 4E-10 -0.75298795 0.00083803 0.3486873 0.4936948 0.43974776 0.34034959 1.50805364 -0.27864135 0.64698721 0.33829401 0.54307672 -0.634229 -9.04985889 -22.64073931 -33.00044311 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00259959-01 196709489 tox21-ror-cho-viability-p1 set2 4 3.14782669 0.42349222 2.62959737 2.43852177 3.54292653 2.32161405 5.27875929 1.22556032 -0.11211281 3.23086504 3.38938044 3.4423205 1.98623 3.39781424 -0.00621052 1.172E-9 2.622E-9 5.862E-9 1.311E-8 2.931E-8 6.554E-8 1.466E-7 3.277E-7 7.328E-7 0.0000016389999999 0.000003664 0.000008193 0.00001832 0.00004096 0.000091599999999 2778-42-9 17719 144209608 F 1,3-Bis(2-isocyanatopropan-2-yl)benzene CC(C)(\N=C=O)c1cccc(c1)C(C)(C)/N=C=O Tox21_202410 -NCGC00259548-01 196709502 tox21-ror-cho-viability-p1 set2 2.4 68.7989315376 26.5932630759 -0.5932630759 26 4.9549173134 0.9000668299 0.0003236342 0.9500948 0.82989912 1.84307634 2.49674797 -0.31183385 -2.78114191 -3.82771923 -1.68169325 -1.96808167 0.45265496 -0.12846269 0.21014393 -3.17038711 1.00182834 20.84860093 1.183E-9 2.644E-9 5.913E-9 1.322E-8 2.9569999999E-8 6.611E-8 1.4779999999E-7 3.306E-7 7.3909999999E-7 0.0000016529999999 0.000003696 0.0000082639999999 0.00001848 0.00004132 0.00009239 144-80-9 5320 144209197 A A Sulfacetamide Nc1ccc(cc1)S(=O)(=O)NC(C)=O Tox21_201999 -NCGC00255148-01 196709902 tox21-ror-cho-viability-p1 set2 4 -4.17554505 -6.01070379 -1.14409884 -1.86054725 -2.26921918 1.00335446 -1.27501454 -3.13970864 -0.89356377 0.32623922 0.59920138 -0.18186845 -1.95423018 -2.72335349 -1.44960415 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1330-86-5 66932 144212739 Z C Diisooctyl adipate CC(C)CCCCCOC(=O)CCCCC(=O)OCCCCCC(C)C Tox21_302422 -NCGC00164168-02 196709904 tox21-ror-cho-viability-p1 set2 4 3.80117523 -1.07097242 -3.11489321 0.13657931 0.14446975 -0.39376848 0.21947807 0.86155898 0.50794564 0.32680217 0.85953841 -0.26592162 0.4724244 0.34691483 -0.14690518 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00255695-01 196709945 tox21-ror-cho-viability-p1 set2 4 76.9588215421 11.073067332 -1.073067332 10 4.9549173134 0.7237648205 0.0294430016 0.00611191 -2.20035182 -2.17473219 -2.2702966 -4.22755611 0.43372663 0.39634446 -0.94660608 -0.92117991 -0.16474966 -0.5080422 0.01140161 0.12470915 -1.22203503 7.17009055 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 147-81-9 66308 144211850 A Arabinose O[C@H](C=O)[C@H](O)[C@H](O)CO Tox21_301533 -NCGC00090776-02 196709930 tox21-ror-cho-viability-p1 set2 4 -4.86917278 1.5716492 0.87186739 1.3460044 0.11334875 -0.34178463 0.49963216 -4.19533014 0.04867859 -3.00426901 2.21820451 -3.30510528 -4.25730807 -4.51925785 -1.59264298 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00256293-01 196709933 tox21-ror-cho-viability-p1 set2 4 0.43966587 -0.01411575 4.41423569 -0.55750719 2.36798424 -0.40415926 -4.68470024 -1.96742637 1.07865966 -2.52132247 -0.13769324 1.15597595 -1.85073107 -2.44578388 1.41067927 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 70693-59-3 116814 144212014 A A 2-Amino-N-cyclohexyl-N-methylbenzenesulfonamide O=S(=O)(N(C)C1CCCCC1)c2ccccc2N Tox21_301697 -NCGC00256146-01 196709943 tox21-ror-cho-viability-p1 set2 4 -0.31470484 -0.8001063 -0.89165424 0.49031867 -0.97938301 -1.57445026 -1.97267812 -1.86775144 -0.22583972 1.24156952 2.75760386 4.40477232 4.39019657 4.53128341 1.08097631 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2386-60-9 75430 144212004 F A Butane-1-sulfonyl chloride CCCCS(Cl)(=O)=O Tox21_301687 -NCGC00164632-02 196723009 tox21-ror-cho-viability-p1 set3 4 0.2371013766 4.9228322799 -0.4228322799 4.5 4.0949729863 0.4414403143 0.2343615593 -1.95450324 1.08141197 -0.29362268 0.94370464 -1.19934258 -2.23877629 0.10384191 0.65982569 3.79215374 5.91072369 7.28300624 -3.2690269 1.74075851 6.54141238 7.90605595 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5630-53-5 444008 170465874 F Tibolone O=C1CC=2C[C@@H](C)[C@H]3[C@@H]4CC[C@@](O)(C#C)[C@@]4(C)CC[C@@H]3C=2CC1 Tox21_112250_1 -NCGC00259660-01 196722194 tox21-ror-cho-viability-p1 set3 4 -7.93078977 -6.33117358 -4.38896662 -1.38151164 0.75635605 -3.5246378 -3.60681424 -4.18089767 -4.86429019 -1.21118661 -4.61746445 -5.63634821 -2.74419375 -8.76110601 -5.54093211 1.202E-9 2.688E-9 6.01E-9 1.344E-8 3.005E-8 6.719E-8 1.5019999999E-7 3.359E-7 7.5119999999E-7 0.0000016799999999 0.0000037559999999 0.0000083989999999 0.00001878 0.00004199 0.0000939 122-99-6 31236 144209309 A A 2-Phenoxyethanol OCCOc1ccccc1 Tox21_202111 -NCGC00253577-01 196722601 tox21-ror-cho-viability-p1 set3 3 29.8492948118 40.858486784 1.141513216 42 2.8472712143 0.8922839133 0.0004667238 1.32840247 5.18210331 -2.8590472 -0.00697133 -0.05439161 3.18826145 -2.62461817 3.386155 -3.63207232 1.74965914 4.15530314 -0.32294439 7.4490917 9.90044252 33.32772285 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80734-02-7 6917773 170465777 A F Lenampicillin hydrochloride Cl.N[C@H](c1ccccc1)C(=O)N[C@@H]4C(=O)N3[C@@H](C(=O)OCC=2OC(=O)OC=2C)C(C)(C)S[C@@H]34 Tox21_113720 -NCGC00253693-01 196722605 tox21-ror-cho-viability-p1 set3 4 0.7497803863 -5.3543940239 1.5 -3.8543940239 4.9549173134 0.6055944012 0.108256569 -0.66925441 2.99159274 3.03279173 -0.78696589 0.77880536 3.08658897 3.88772344 0.53081836 1.24970271 -1.6764695 -8.21199502 -1.34158007 -1.28940186 -5.63728001 3.77340619 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55453-87-7 41448 170466166 A A Isoxepac O=C(O)Cc1ccc2OCc3ccccc3C(=O)c2c1 Tox21_113815 -NCGC00066947-05 196723011 tox21-ror-cho-viability-p1 set3 4 0.25874237 -0.32360347 -0.84733795 1.93538826 -0.10208836 -5.41969106 0 -2.51447888 1.72058757 -0.08395734 -0.04630593 -0.19722089 -3.32955123 -1.51646192 1.64774848 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00018163-10 196723029 tox21-ror-cho-viability-p1 set3 4 29.8492948118 -15.64527808 -1 -16.64527808 4.5044702849 0.8597295834 0.0016861891 -0.24136272 -1.33475637 -0.25248753 -1.17230213 1.62622959 -0.75766249 -0.65012367 0.71798868 -4.56501455 -0.67507508 -2.72336382 -1.15597325 -2.2970474 -3.18530086 -14.7043984 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97-18-7 2406 170465515 A Bithionol Oc2c(Sc1cc(Cl)cc(Cl)c1O)cc(Cl)cc2Cl Tox21_110832_1 -NCGC00258837-01 196721425 tox21-ror-cho-viability-p1 set3 4 -7.28324747 -3.25134621 -0.98072419 4.759248 -7.30985095 -6.43553031 -3.95945333 -4.46107225 0.76636992 1.06028342 -5.65238516 -7.37277328 0.50587558 2.18790831 -7.78559399 1.1989999999E-9 2.68E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.701E-8 1.4979999999E-7 3.351E-7 7.492E-7 0.000001675 0.000003746 0.0000083759999999 0.00001873 0.00004188 0.00009365 131-56-6 8572 144208483 A A 2,4-Dihydroxybenzophenone O=C(c1ccc(O)cc1O)c2ccccc2 Tox21_201285 -NCGC00259549-01 196721412 tox21-ror-cho-viability-p1 set3 4 -4.1068472 -3.05094075 -1.03162527 7.97927584 -1.831468 -3.43475425 -2.79403423 -3.32850508 -4.23697676 -1.98391161 -1.54582359 -3.73386149 -2.329132 2.22408281 3.89933954 1.212E-9 2.71E-9 6.06E-9 1.3549999999E-8 3.03E-8 6.775E-8 1.515E-7 3.388E-7 7.575E-7 0.0000016939999999 0.000003787 0.000008469 0.00001894 0.00004235 0.000094689999999 83-41-0 6739 144209198 A F 1,2-Dimethyl-3-nitrobenzene Cc1c(C)cccc1[N+](=O)[O-] Tox21_202000 -NCGC00259725-01 196721421 tox21-ror-cho-viability-p1 set3 2.4 54.5380840886 38.4026227559 -5.9026227559 32.5 2.9022712143 0.9287714488 0.000056499 -5.44468713 -6.84174205 -3.05809535 -4.83083713 -2.16758389 -8.54817732 -9.50218563 -8.21842909 -7.04378457 -2.99523185 -8.47987092 -2.63297977 -4.5502704 5.56126696 25.60104562 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004127 0.00009229 132-98-9 23676814 144209374 A B Penicillin VK [K+].O=C([O-])[C@@H]2N3C(=O)[C@@H](NC(=O)COc1ccccc1)[C@H]3SC2(C)C Tox21_202176 -NCGC00259850-01 196721424 tox21-ror-cho-viability-p1 set3 4 7.7820517375 14.37854824 -5.87854824 8.5 0.6 0.6840762588 0.0458386327 -2.03746914 -12.3987902 -3.0233361 -8.83569451 -3.14834216 -5.18690195 -3.71650465 -3.43668269 -3.51317212 -2.29801979 -0.69216913 2.44387164 0.4376194 8.90962535 3.96892673 1.191E-9 2.663E-9 5.954E-9 1.331E-8 2.977E-8 6.657E-8 1.489E-7 3.3279999999E-7 7.4429999999E-7 0.0000016639999999 0.000003721 0.0000083209999999 0.00001861 0.000041609999999 0.00009303 101-86-0 7585 144209499 A A 2-Benzylideneoctanal O=CC(CCCCCC)=Cc1ccccc1 Tox21_202301 -NCGC00258934-01 196721806 tox21-ror-cho-viability-p1 set3 4 21.8886121324 9.686047228 -4.686047228 5 3.5117481694 0.7389969572 0.023292361 -5.03432164 -0.50207455 -5.55288962 -3.66162613 -5.47023405 -7.23837269 -7.14269259 -6.09539996 -3.19271035 -2.29924225 -4.67466455 -2.16244011 -1.72023909 5.78062224 3.82466481 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.000092909999999 1843-05-6 15797 144208581 A A Octabenzone O=C(c1ccc(cc1O)OCCCCCCCC)c2ccccc2 Tox21_201383 -NCGC00259994-01 196721815 tox21-ror-cho-viability-p1 set3 4 -9.03893414 -6.89961312 -6.20226838 -2.30729482 -9.07352716 -9.26676932 -9.4333099 -7.93107689 -6.76783748 -5.17726524 -7.71654756 -9.56553462 -8.50250892 -6.95726288 -4.31573895 1.125E-9 2.516E-9 5.6259999999E-9 1.2579999999E-8 2.8129999999E-8 6.29E-8 1.4069999999E-7 3.1449999999E-7 7.033E-7 0.0000015729999999 0.000003516 0.000007863 0.000017579999999 0.00003931 0.000087909999999 34256-82-1 1988 144209643 A A Acetochlor ClCC(=O)N(COCC)c1c(C)cccc1CC Tox21_202445 -NCGC00256054-01 196728527 tox21-ror-cho-viability-p1 set3 4 30.6378586933 9.745218596 1.254781404 11 4.9549173134 0.658488336 0.0598834146 0 -1.68234592 1.69007223 0.25120788 3.06815594 0.53761694 2.06668348 0.81914138 2.8472336 3.05823752 5.27267089 0.22797506 -2.70434883 11.53558208 9.18250011 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2517-43-3 17291 144211940 A 3-Methoxybutan-1-ol CC(CCO)OC Tox21_301623 -NCGC00255216-01 196728541 tox21-ror-cho-viability-p1 set3 4 -0.38496451 5.29744154 -2.56109397 -2.7324248 1.22151622 -1.91371948 1.09653713 1.81414531 3.3268722 -1.03082266 0.49446125 -0.46224628 -3.9751972 0.17668623 1.18384286 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95266-40-3 92421 144212223 A A Trinexapac-ethyl O=C(OCC)C1CC(=O)/C(C(=O)C1)=C(/O)C2CC2 Tox21_301906 -NCGC00255771-01 196728129 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -24.849475144 1.5 -23.349475144 4.9549173134 0.537917686 0.145670674 -0.89116979 0.33807065 -3.0899872 -0.31218036 -1.82033422 5.64025756 1.05606664 8.61643546 -2.12797644 6.19213853 6.05421217 -6.87269627 2.59117729 1.87958448 -16.12456262 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2934-05-6 18048 144211689 Ac Ac 2,4-Diisopropylphenol CC(C)c1cc(ccc1O)C(C)C Tox21_301372 -NCGC00255139-01 196728540 tox21-ror-cho-viability-p1 set3 4 2.4336516212 -6.2035418079 4.5 -1.7035418079 4.9549173134 0.3999699405 0.2726487897 0 -0.30267055 -2.47645532 9.2845471 6.84208412 5.85706252 8.06174949 7.58745692 6.1336712 5.95437625 -3.80838774 2.88309556 -3.14177946 -5.58628484 0.57720783 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7227-91-0 23654 144212193 A F 1-Phenyl-3,3-dimethyltriazene CN(C)/N=N/c1ccccc1 Tox21_301876 -NCGC00255405-01 196728547 tox21-ror-cho-viability-p1 set3 4 0.0015355304 17.55034462 -18.55034462 -1 3.5117481694 0.3891880354 0.29914321 -13.79195385 -3.43521055 -2.7148532 0.13922615 -3.66208342 -2.19734021 5.07960989 3.73431715 6.11033108 4.773075 -4.17576668 -5.42476255 -6.30999248 -6.60160846 -5.52300294 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2052-15-5 16331 144212031 A A Butyl 4-oxopentanoate O=C(CCC(C)=O)OCCCC Tox21_301714 -NCGC00256031-01 196728940 tox21-ror-cho-viability-p1 set3 4 0.0016281168 14.585945612 -14.085945612 0.5 4.9549173134 0.5024304996 0.1772154945 -11.73828801 -0.09820138 4.03073162 3.16787167 -1.53932396 -2.58933963 0.94907255 2.76869821 -0.75021191 2.36537142 4.58030301 3.32747068 -3.43842006 -5.02982263 -3.79329141 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 54914-85-1 97354 144212201 A A 1,1'-[Ethane-1,2-diylbis(oxy)]bis(3-methylbenzene) Cc1cc(ccc1)OCCOc2cc(C)ccc2 Tox21_301884 -NCGC00255715-01 196728959 tox21-ror-cho-viability-p1 set3 1.2 21.6899429044 51.239292814 -0.005260031 51.234032783 4.5044702849 0.9810792697 3.45E-8 -1.24936781 -0.41797029 -3.35733023 -0.44651401 1.06612376 -1.05364305 3.39032687 0.42284901 1.75258704 1.01643607 4.29593846 -4.41602879 18.57678995 49.70448087 49.49276013 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2605-79-0 62452 144212550 A A N,N-Dimethyldecylamine oxide C[N+]([O-])(C)CCCCCCCCCC Tox21_302233 -NCGC00091011-05 196729370 tox21-ror-cho-viability-p1 set3 1.2 24.3365162115 63.2302324426 1.0743993424 64.304631785 1.92824246 0.9673874101 7.788E-7 -3.17138578 -0.85973469 0.46301396 4.37932519 -2.12450137 -2.4150656 4.73418852 3.76288096 3.54457448 7.14728897 -3.16851178 11.0840978 22.11918825 49.40487536 59.22736865 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00258542-01 196729377 tox21-ror-cho-viability-p1 set3 -2.1 44.3797096219 -81.500968336 0.07203961 -81.428928726 2.2526478767 0.9912069333 4E-10 -1.92040482 0.63875882 0.0152625 1.90920335 -0.5056573 -0.09173135 -1.19904912 0.69803007 0.60528445 -0.92916899 -0.9433862 -3.98838864 -6.2453962 -41.85479615 -67.37040055 1.2049999999E-9 2.695E-9 6.026E-9 1.347E-8 3.013E-8 6.737E-8 1.507E-7 3.3689999999E-7 7.533E-7 0.0000016839999999 0.000003766 0.000008422 0.000018829999999 0.000042109999999 0.000094159999999 65646-68-6 5288209 144208187 B B 4-Hydroxyphenyl retinamide CC=2CCCC(C)(C)C=2/C=CC(\C)=C\C=C\C(\C)=C\C(=O)Nc1ccc(O)cc1 Tox21_200989 -NCGC00090760-08 196729782 tox21-ror-cho-viability-p1 set3 -2.4 76.4894813809 -24.9877884119 -2 -26.9877884119 4.9549173134 0.7965125989 0.008604628 -5.22786392 -4.15693177 -5.1840621 -5.53338945 -4.24383783 -0.33881502 0.41208623 1.00402463 1.01741075 -3.42164347 0.34169502 -1.17193931 -0.72844431 -1.36722932 -20.82315701 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00357010-01 196711247 tox21-ror-cho-viability-p1 set2 4 23.7101376556 13.6406424241 0.3593575759 14 3.9294729863 0.684151182 0.0460101301 3.71077231 -2.11530325 -0.30545304 -1.00339529 4.39164582 -2.61720202 -2.14099844 4.50604668 0.1276714 -1.56168489 2.07100583 0.54112607 -0.5398764 4.97273087 13.23507602 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 19532-03-7 23672326 251919800 A Sodium 2-amino-5-sulfonaphthalene-1-sulfonate [Na+].O=S(=O)(O)c2cccc1c2ccc(N)c1S([O-])(=O)=O Tox21_303913 -NCGC00255909-01 196710419 tox21-ror-cho-viability-p1 set2 4 1.66434324 3.4577829 -0.76851688 1.68638684 2.92204617 2.47619202 -0.94564837 -0.86292985 1.17163772 1.63215326 0.28358536 1.25975572 0.13064639 0.5440262 3.79395355 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5870-93-9 62592 144211694 A F Heptyl butanoate CCCCCCCOC(=O)CCC Tox21_301377 -NCGC00255373-01 196710816 tox21-ror-cho-viability-p1 set2 4 1.28300505 0.02750759 0.68266282 -0.42149091 -0.65985098 -1.73381283 -0.21925115 -2.1465363 -1.60362024 0.000829 -1.10519815 0.57838518 -1.39846682 0.60822764 0.71984011 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3734-33-6 19518 144211904 C C Denatonium benzoate O=C(Nc1c(C)cccc1C)C[N+](Cc2ccccc2)(CC)CC.[O-]C(=O)c1ccccc1 Tox21_301587 -NCGC00255529-01 196710826 tox21-ror-cho-viability-p1 set2 4 0.64421902 3.59229424 1.61725561 -0.33246805 1.36507218 1.01465745 2.02301394 -0.13145086 2.06541582 2.50318423 0.69581263 0.25649262 0.296966 0.816312 2.9389013 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 605-45-8 11799 144211829 A A Diisopropyl phthalate CC(C)OC(=O)c1ccccc1C(=O)OC(C)C Tox21_301512 -NCGC00357078-01 196711647 tox21-ror-cho-viability-p1 set2 -2.4 3.8570778872 -37.7524060359 -6.983603312 -44.7360093479 0.7 0.5458244455 0.1932861855 -4.48581246 -11.05526917 -5.36233237 -13.79905931 -2.90300276 -11.02340728 -11.02558921 -4.07061442 -24.00478939 -28.58282194 -10.09308684 -37.28000779 -3.15289575 -13.10730987 -19.10910165 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-48-8 6645 251919950 A Methyl toluene-4-sulfonate COS(=O)(=O)c1ccc(C)cc1 Tox21_303790 -NCGC00260539-01 196711656 tox21-ror-cho-viability-p1 set2 4 0.31056294 0.13110855 -0.29681935 1.34769704 1.9452139 1.08543992 4.5999615 5.78622979 5.3729241 1.06968109 4.56016303 1.48316543 1.7960879 7.7750458 5.84164681 6.052E-11 1.353E-10 3.0259999999E-10 6.7659999999E-10 1.513E-9 3.383E-9 7.5649999999E-9 1.692E-8 3.782E-8 8.458E-8 1.891E-7 4.2289999999E-7 9.456E-7 0.0000021139999999 0.0000047279999999 112-69-6 16221 144210192 F Fns Dimethylcetylamine CN(C)CCCCCCCCCCCCCCCC Tox21_202994 -NCGC00260613-01 196711662 tox21-ror-cho-viability-p1 set2 -3 7.4978038628 -61.7728118013 -4.126725599 -65.8995374003 4.9549173134 0.7751872991 0.0231446685 0.12377885 1.23281859 0.10846881 -1.32781145 1.34336402 0.41536373 -16.86268036 0 -5.82314472 -4.9246694 -19.90282538 -4.71991491 -49.92389197 -29.83361253 -25.12306921 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49509 144210266 M M NTP Mix16 AR1 8-EQC Tox21_203068 -NCGC00091205-03 196708778 tox21-ror-cho-viability-p1 set2 4 -5.53840421 -8.87969042 -10.12039096 -13.20481461 -1.10551715 -1.66041536 -6.54761954 -2.65288724 -5.88455393 -5.25380495 -4.88007353 -6.65614461 -4.33213184 -10.8820503 -13.86013606 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00257400-01 196708356 tox21-ror-cho-viability-p1 set1 4 68.5896218971 15.437064436 1.562935564 17 0.7999999999 0.6188864171 0.0850987532 2.95547532 1.77170869 0.7960503 2.89862434 3.27481188 2.65367433 5.78430894 -2.03088703 1.14446784 2.51989333 4.52418126 1.73498219 5.18987837 5.75959827 12.84970928 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56038-13-2 71485 144213736 A A Sucralose O[C@H]1[C@H](O[C@H](CO)[C@H](Cl)[C@@H]1O)O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O Tox21_303425 -NCGC00255634-01 196708362 tox21-ror-cho-viability-p1 set1 4 0.0034376243 -13.431857108 -0.6585909319 -14.0904480399 0.6999999999 0.6271339565 0.079151121 -2.63215911 -9.48751572 -9.96528258 -8.55785791 -10.60371887 -10.25330882 -14.76558647 -14.3555248 -13.74774147 -14.76721734 -19.6587067 -15.24309319 -12.16073947 -11.26032306 -11.8712323 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5349-51-9 79302 144211952 D A 4-(2-Methylbutan-2-yl)cyclohexanol OC1CCC(CC1)C(C)(C)CC Tox21_301635 -NCGC00257210-01 196708367 tox21-ror-cho-viability-p1 set1 4 0.0172289341 14.946984032 -10.446984032 4.5 0.3 0.7531918337 0.0188771721 -4.98244308 -7.03915336 -4.42977366 -2.63952299 -1.35082961 -0.45555433 -0.13194414 -0.82274843 0.47011145 4.27957479 -2.33674247 2.23272511 0.90051456 4.38004059 5.14006729 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 473-55-2 10129 144213597 F Pinane CC2(C)C1CC2C(C)CC1 Tox21_303280 -NCGC00259086-01 196709179 tox21-ror-cho-viability-p1 set2 4 -1.52206207 -2.5478145 1.33169592 -3.7501617 -2.03265152 -2.85964197 -2.55191432 -3.56357005 0.06499684 -1.31885667 -2.59131126 -3.20502619 1.90583497 -0.73044074 0.42206216 1.2069999999E-9 2.7E-9 6.037E-9 1.3499999999E-8 3.019E-8 6.75E-8 1.509E-7 3.375E-7 7.547E-7 0.000001687 0.000003773 0.0000084369999999 0.00001887 0.000042189999999 0.00009433 6915-15-7 525 144208734 A B Malic acid O=C(O)C(O)CC(=O)O Tox21_201536 -NCGC00178404-03 196712449 tox21-ror-cho-viability-p1 set2 4 1.93844653 5.91485061 3.35755466 1.98645455 5.10947964 4.74385806 4.35703934 3.16269268 1.05874937 0.78434055 2.05749531 1.40915586 0.89885812 6.37460795 0.0286951 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 124-94-7 31307 170465188 A Triamcinolone OCC(=O)[C@@]3(O)[C@H](O)C[C@H]2[C@@H]4CCC1=CC(=O)C=C[C@]1(C)[C@@]4(F)[C@@H](O)C[C@@]23C Tox21_111332_1 -NCGC00357043-01 196712031 tox21-ror-cho-viability-p1 set2 4 0.24861852 1.02811385 -1.90544869 -0.06461781 -1.70547982 -1.991091 -10.07497263 -18.33411195 -0.27032231 -5.9121365 0.98823678 0.35274448 -0.18391033 -6.31178497 -16.70196553 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17557-23-2 28594 251919689 F Neopentyl glycol diglycidyl ether CC(C)(COCC1CO1)COCC2CO2 Tox21_303734 -NCGC00090789-02 196712429 tox21-ror-cho-viability-p1 set2 4 -6.79465183 -9.59532699 -19.09606955 -17.71634153 -5.37806972 -5.9125964 -25.095409 -4.09234483 -30.14717718 -9.39545587 -31.61376395 0 0 -10.38683739 -1.9355009 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00357210-01 196712442 tox21-ror-cho-viability-p1 set2 4 0.0685896219 12.5 -1.5 11 0.3 0.6590273382 0.0597589126 0.07214253 2.97285885 2.77000211 3.86858069 3.32863331 4.54561076 4.38300509 9.60124973 9.79804281 4.65091996 3.34895873 8.90962508 9.5243266 9.92046702 11.17973087 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13183-79-4 2723772 251919862 B 1-N-Methyl-5-thiotetrazole S=C1N=NNN1C Tox21_303990 -NCGC00262539-03 196712844 tox21-ror-cho-viability-p1 set2 4 -3.66462204 -3.8269643 -4.28855586 -2.14834968 0.77857648 -1.61436869 1.11778459 -0.29499321 -3.18220358 -1.56956162 -2.30370127 -6.52711298 -9.15548444 -4.9116894 -2.22113105 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 315-22-0 9415 170466813 I Monocrotaline O=C1OCC3=CCN2CC[C@@H](OC(=O)[C@H](C)[C@@](C)(O)[C@@]1(C)O)[C@H]23 Tox21_112094_1 -NCGC00167441-02 196712859 tox21-ror-cho-viability-p1 set2 4 3.67602712 5.37714097 4.81580212 4.50077762 -0.21841609 -0.66337832 0.78150977 -0.98332366 -1.10895316 -1.92187729 -0.55636697 0.3201335 -0.27094037 -1.19776177 -0.04560996 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104632-26-0 119570 170465264 Z Pramipexole hydrochloride CCCN[C@@H]1Cc2sc(N)nc2CC1 Tox21_112445_1 -NCGC00249921-01 196713257 tox21-ror-cho-viability-p1 set2 4 -1.15791317 -2.43319274 -0.50193403 -1.78078387 -0.4032334 1.60263944 -0.232399 -0.94493732 0.0776982 1.32194591 -0.99442609 -0.27159593 -2.61021297 -0.59129838 -0.01211624 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 74512-12-2 3033988 170465847 A A Omoconazole C\C(=C(\OCCOc1ccc(Cl)cc1)c2ccc(Cl)cc2Cl)n3ccnc3 Tox21_113697 -NCGC00142615-08 196713264 tox21-ror-cho-viability-p1 set2 4 0.0091962279 -7.110116196 7.5 0.389883804 3.5117481694 0.803158699 0.0075799233 7.00759071 5.88252858 9.65384427 7.99200641 4.99859462 1.06795847 0.85762037 0.91856194 3.87906263 0.73082462 0.48516405 -3.42509683 -0.85661874 0.93436473 0.42069277 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 51-43-4 5816 170464973 Z Epinephrine Oc1ccc(cc1O)[C@@H](O)CNC Tox21_111562_1 -NCGC00255382-01 196710389 tox21-ror-cho-viability-p1 set2 4 4.14794181 -0.90511977 3.50757299 0.51754599 -0.32795447 1.00086529 -3.18136378 3.30350971 0.21410356 -0.63665583 -1.12038994 -0.47107246 4.08080378 -0.61070246 0.11156804 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-64-1 31298 144212387 A Fns Tetrakis(hydroxymethyl)phosphonium chloride [Cl-].OC[P+](CO)(CO)CO Tox21_302070 -NCGC00256184-01 196709972 tox21-ror-cho-viability-p1 set2 4 43.2771256911 -13.5022347799 1 -12.5022347799 2.7202212143 0.9196045434 0.0001089956 3.00549232 -0.74844505 0.69253832 1.50692173 0.94180543 -0.12842168 1.50788498 0.5480885 1.49847005 0.55144035 1.71051136 1.05060664 1.72755193 -5.5502225 -10.83519565 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 64-85-7 6166 144212719 A A 21-Hydroxyprogesterone OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_302402 -NCGC00255129-01 196710374 tox21-ror-cho-viability-p1 set2 4 -0.81682892 -3.55626142 -0.82150877 -5.59661687 0.70087115 0.25703438 -0.42757999 -0.41806946 -6.50422698 -2.13122506 -6.63767326 -6.01091561 2.95672531 -6.57057714 3.13514787 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 32687-77-7 64865 144211555 A C 3-[3,5-DI(tert-butyl)-4-hydroxyphenyl]propanohydrazide CC(C)(C)c1cc(cc(c1O)C(C)(C)C)CCC(=O)NN Tox21_301238 -NCGC00256074-01 196710377 tox21-ror-cho-viability-p1 set2 4 -7.76647661 0.05962854 -2.76333644 -3.01805515 -0.20427763 -3.0974754 -5.09848314 -5.72530357 -2.68561136 -3.5221093 -2.5782048 -1.61688376 0.74430743 1.1946598 1.17209166 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7397-62-8 81882 144212245 A A Butyl hydroxyacetate OCC(=O)OCCCC Tox21_301928 -NCGC00255726-01 196710792 tox21-ror-cho-viability-p1 set2 4 -6.08380767 -4.78033191 -2.54016161 -10.22323926 -9.1635697 -8.90387711 -3.36735904 -0.89246832 0.03809058 -6.20458583 -1.68063482 -7.59406007 -2.76164192 -1.95891993 0.4943286 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 156-06-9 997 144211679 F F Phenylpyruvic acid O=C(Cc1ccccc1)C(=O)O Tox21_301362 -NCGC00260487-01 196723884 tox21-ror-cho-viability-p1 set3 4 30.8248964822 -21.509832292 4.5 -17.009832292 1.111 0.6653925325 0.0554032828 -5.01203028 4.84997481 5.24730882 6.11532761 5.69275389 7.88837644 2.55171598 9.04169714 2.85117191 3.91979608 4.54942021 -3.49183093 -3.98464236 -2.41664404 -15.84152691 1.1859999999E-9 2.651E-9 5.928E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009262 70-11-1 6259 144210139 F C 2-Bromoacetophenone O=C(CBr)c1ccccc1 Tox21_202941 -NCGC00166222-04 196697718 tox21-ror-cho-viability-p1 set1 4 6.73711776 1.49372555 6.83698807 0.54570495 2.3276261 5.75616585 5.5873294 -0.25466745 2.038124 2.38050925 2.12257853 0.01738313 0.63505017 0.70553371 -0.82906171 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3412-76-8 2728761 170465030 I N,N'-Dibenzylethane-1,2-diamine dihydrochloride Cl.Cl.C(NCc1ccccc1)CNCc2ccccc2 Tox21_112357_1 -NCGC00074024-03 196697731 tox21-ror-cho-viability-p1 set1 4 5.78505144 3.75790385 -1.89599606 -0.04799861 -1.07480242 0.45339804 -0.01042578 2.11524153 2.38380663 1.43514754 1.34828282 2.94708573 2.69094363 1.72528346 1.25200733 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 106017-08-7 176015 170466527 A Rufloxacin hydrochloride Cl.CN1CCN(CC1)c4c(F)cc2c3N(C=C(C2=O)C(=O)O)CCSc34 Tox21_110990_1 -NCGC00183108-01 196698133 tox21-ror-cho-viability-p1 set1 4 0.44681479 1.57105215 1.16479989 0.26791445 0.88489675 3.13667686 3.42041898 -0.14480685 3.62011315 1.54285496 5.25725019 5.31762555 1.07786858 1.65128932 1.21313041 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104-32-5 64949 144206602 C C Propamidine N=C(N)c1ccc(cc1)OCCCOc2ccc(cc2)C(=N)N Tox21_113051 -NCGC00255015-01 196719789 tox21-ror-cho-viability-p1 set3 4 7.88038006 -2.52066791 9.63620887 4.46522365 7.04625864 1.11371906 5.79348755 -4.63774866 9.39228076 -3.22558174 1.2820295 1.98227491 0.65543616 -0.84750845 -0.85316418 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-13-5 7738 144211432 A A (4-Methoxyphenyl)methanol COc1ccc(CO)cc1 Tox21_301115 -NCGC00015060-14 196718946 tox21-ror-cho-viability-p1 set2 4 42.881332686 11.2485975479 -3.7485975479 7.5 3.0654483358 0.4538683302 0.2220730446 -4.83758952 -6.09411768 -6.24788011 0.09818578 3.33283927 -7.09279659 -8.12383129 -3.25948719 -3.00809444 -2.69805322 -0.51359237 -2.28345185 -5.12821088 1.78783105 6.21554402 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00255043-01 196719785 tox21-ror-cho-viability-p1 set3 4 13.04247477 14.41221606 3.00510431 14.91131133 14.70846309 18.30495557 2.24084407 8.44004271 8.45576735 0.8023945 -2.05902674 2.85025202 2.59565431 11.93936435 29.34400208 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6385-62-2 115268 144211462 A Ac Diquat dibromide monohydrate [Br-].[Br-].O.c1cccc2c3cccc[n+]3CC[n+]12 Tox21_301145 -NCGC00254935-01 196719787 tox21-ror-cho-viability-p1 set3 4 2.4336516212 13.209363384 -9.209363384 4 0.5 0.5585568054 0.1446046861 -12.25780282 -9.58013735 -1.03933937 -11.58172965 -8.20436439 -5.71384674 -8.86006658 -1.46690907 -8.92751662 -0.05895014 -4.3190035 -0.14365379 0.40975416 2.46938347 -19.00127493 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18263-25-7 82145 144211350 B 2-Bromohexadecanoic acid O=C(O)C(Br)CCCCCCCCCCCCCC Tox21_301033 -NCGC00254101-01 196720212 tox21-ror-cho-viability-p1 set3 4 2.39652831 -0.25310897 2.69299057 3.47846901 -1.37572464 -1.89062123 6.57174058 -0.25912472 6.89905683 0.37074702 3.79825604 4.18814638 8.11927945 0.58664353 2.19462279 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-99-0 7473 144210337 A Ac 4-Nitrotoluene Cc1ccc(cc1)[N+](=O)[O-] Tox21_300017 -NCGC00254353-01 196720216 tox21-ror-cho-viability-p1 set3 4 21.6899429044 14.0055190599 -6.0055190599 8 0.5999999999 0.6000417129 0.0976207884 -5.31565829 -9.15403518 -2.60714204 -10.83793255 -2.28861679 -1.64719805 -6.47693865 -5.35058488 -4.96966289 -0.54835316 -5.2161009 0.31974929 0.54377468 0.51467791 5.79864833 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-21-7 8098 144210914 A A Triethylene glycol diacetate O=C(C)OCCOCCOCCOC(C)=O Tox21_300597 -NCGC00253951-01 196720220 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -27.1538769919 0 -27.1538769919 4.9549173134 0.3656059705 0.3044965581 -4.13350791 -4.4668081 3.62490291 3.95252176 3.9578448 -0.78181425 4.51413381 4.29441003 3.87772312 -20.96156416 -3.61603416 4.23522005 6.79511515 -0.35256723 -20.04407307 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 309-00-2 24860538 144210492 A A Aldrin ClC3=C(Cl)[C@]4(Cl)[C@@H]2[C@@H]1CC(C=C1)[C@@H]2C3(Cl)[C@@]4(Cl)Cl Tox21_300172 -NCGC00357270-01 196724477 tox21-ror-cho-viability-p1 set3 4 -2.32429359 4.50532791 5.04475746 4.80317888 2.95651705 8.35020889 7.62242834 1.36136706 -0.60919596 4.96884107 -0.16438655 1.76529555 -2.59890563 1.28068604 3.28171743 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 927-62-8 13563 251919815 Fns N,N-Dimethylbutylamine CCCCN(C)C Tox21_303901 -NCGC00357134-01 196724478 tox21-ror-cho-viability-p1 set3 4 -1.00001915 4.32052395 -7.42384228 -13.02644231 -11.08262966 3.03556273 -3.6931887 2.5301894 -5.60875917 -4.4900162 1.97860159 -3.85877808 1.50421201 -7.6051998 -15.25866923 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 144171-61-9 9936739 251919757 A (+-)-Indoxacarb FC(F)(F)Oc1ccc(cc1)N(C(=O)OC)C(=O)N2N=C3c4ccc(Cl)cc4CC3(OC2)C(=O)OC Tox21_303872 -NCGC00091253-05 196724876 tox21-ror-cho-viability-p1 set3 4 -4.82351857 7.55228009 -1.26332215 3.33520389 -3.72803393 0.17745091 -1.88543925 0.27463405 -0.23987464 1.89992314 -1.7235816 -1.63239145 0.80035106 -2.41225441 -2.61891059 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.000001608 0.000003595 0.000008038 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00357147-01 196724886 tox21-ror-cho-viability-p1 set3 4 -3.07173693 11.29801419 6.11059872 0.47833867 -1.34859425 -0.03229167 10.11371928 -2.54271308 2.37036465 1.8934016 -1.93280348 2.77478432 1.489122 3.20327097 10.69686566 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-80-1 7529 251919644 Ac 3-Methylstyrene Cc1cccc(C=C)c1 Tox21_303890 -NCGC00166222-04 196712911 tox21-ror-cho-viability-p1 set2 4 0.21634872 -0.12683191 1.69200093 1.26015346 -1.1717994 -0.40582123 0.84866463 -0.69934121 0.64873568 2.64161884 -0.59506544 0.97811064 2.01097053 -0.90625875 -0.99888757 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3412-76-8 2728761 170465030 I N,N'-Dibenzylethane-1,2-diamine dihydrochloride Cl.Cl.C(NCc1ccccc1)CNCc2ccccc2 Tox21_112357_1 -NCGC00160518-03 196712492 tox21-ror-cho-viability-p1 set2 1.1 0.8196146776 93.3634040731 -2.8401052335 90.5232988396 3.1319983358 0.9913118334 4E-10 -4.54949507 -4.87655803 -2.85226751 -2.00513113 -3.25775029 -2.27179143 -3.95795487 -0.5949812 1.50524624 3.71360617 50.72504523 94.88815392 89.59171983 81.28451705 92.75631976 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 113617-63-3 60605 170465644 A Orbifloxacin C[C@@H]1CN(C[C@H](C)N1)c2c(F)c(F)c3c(c2F)N(C=C(C3=O)C(=O)O)C4CC4 Tox21_111867_1 -NCGC00253604-01 196712894 tox21-ror-cho-viability-p1 set2 -3 33.4914596268 -36.978438576 -0.744218936 -37.722657512 4.9549173134 0.8524453268 0.0020906694 -0.52906472 -2.08881142 0.44273396 -2.53017816 -3.60607033 -2.24978041 0.73546813 -3.7160376 -2.01330147 -1.73002711 -0.95348753 -2.21294405 0.96111119 7.46979232 -34.97239704 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 73573-42-9 5282209 170465875 I A Rescimetol Oc1ccc(cc1OC)/C=C/C(=O)O[C@@H]3C[C@@H]4CN5CCc2c6ccc(OC)cc6nc2[C@H]5C[C@@H]4[C@@H]([C@H]3OC)C(=O)OC Tox21_113739 -NCGC00344560-01 196712904 tox21-ror-cho-viability-p1 set2 4 4.89838082 2.07202097 1.56304038 1.79652157 -0.09937246 2.13487031 0.60176623 0.72501085 1.47954593 -0.77899269 1.4739117 2.40146067 1.05689243 1.4254695 0.19598065 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 566-48-3 11273 170466203 A 4-Hydroxyandrostenedione O=C2CC[C@H]3[C@@H]4CCC1=C(O)C(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_112111_1 -NCGC00255330-01 196710435 tox21-ror-cho-viability-p1 set2 4 5.5044817 -1.9426314 -0.13794523 -0.27862436 0.01907046 -0.35600113 -1.05034227 0 0.04464934 -1.34058759 -0.84271446 0.44777922 0 3.81240515 -0.6132068 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2122-70-5 62428 144211786 A A Ethyl 1-naphthaleneacetate O=C(OCC)Cc2cccc1ccccc12 Tox21_301469 -NCGC00259639-01 196709614 tox21-ror-cho-viability-p1 set2 4 -0.03340592 0.28379402 1.26066037 0.4503251 -0.21516223 0.24296592 0.37666353 0.1921517 0.26390128 -1.20396228 0.11363716 1.48698946 3.45265583 7.36111126 3.35461801 1.167E-9 2.609E-9 5.835E-9 1.305E-8 2.917E-8 6.524E-8 1.459E-7 3.262E-7 7.294E-7 0.000001631 0.0000036469999999 0.0000081549999999 0.00001823 0.00004077 0.00009117 470-82-6 2758 144209288 A F 1,8-Cineol CC2(C)OC1(C)CCC2CC1 Tox21_202090 -NCGC00255369-01 196710013 tox21-ror-cho-viability-p1 set2 4 -0.8553695 -4.52052838 -0.59571913 -2.66771835 -1.85059334 -3.81360017 -2.76312205 -2.94978139 -3.01839244 -1.88376653 0.72109379 -3.99702784 -4.3907259 -3.7023169 -6.11817635 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 28159-98-0 91590 144212584 A A Cybutryne CSc2nc(NC1CC1)nc(NC(C)(C)C)n2 Tox21_302267 -NCGC00255623-01 196710422 tox21-ror-cho-viability-p1 set2 4 2.35349583 4.74806241 0.51931089 1.65493184 3.81762208 3.29222681 1.65936528 0.11568083 0.23527062 2.91494416 -0.90217242 1.67045281 1.8368909 0.69599247 3.26729168 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1569-02-4 15287 144212148 Fns 1-Ethoxy-2-propanol CC(O)COCC Tox21_301831 -NCGC00255785-01 196710441 tox21-ror-cho-viability-p1 set2 4 1.04686483 -7.08967235 -1.53317958 -7.41787461 -2.75798031 0.58478997 -3.16510234 -5.26764658 1.06528095 -1.49509229 -1.57513225 -1.14183448 -2.51515592 -0.23694967 0.03199143 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2038-03-1 408285 144212388 Ac Ac 2-Morpholinoethylamine NCCN1CCOCC1 Tox21_302071 -NCGC00255527-01 196710444 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -12.484391724 0.5 -11.984391724 4.0449729863 0.606474342 0.0937976763 -5.25424128 3.42631425 0.0984969 2.17840162 -0.59144283 2.67098514 0.13371415 0.58207189 1.3979526 3.04722353 0.01911294 -0.02364329 0.97823757 -0.78497188 -9.15365977 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4707-47-5 78435 144211984 A A Methyl 2,4-dihydroxy-3,6-dimethylbenzoate Oc1cc(C)c(C(=O)OC)c(O)c1C Tox21_301667 -NCGC00255258-01 196710447 tox21-ror-cho-viability-p1 set2 4 4.41406912 0.14360033 -0.39249049 -1.40109829 -0.16217184 1.28354494 -1.80992467 2.47939097 -1.55660059 -0.07558369 2.02883911 1.31789806 -1.46250521 1.32032312 -1.07304529 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 129-73-7 67215 144212420 A A Leucomalachite green CN(C)c1ccc(cc1)C(c2ccccc2)c3ccc(cc3)N(C)C Tox21_302103 -NCGC00256181-01 196710849 tox21-ror-cho-viability-p1 set2 4 0.398137 -1.85951394 -2.4980826 -4.09507933 -2.40308377 -0.45297381 -0.01868745 0.29969517 -2.02238078 -1.89178432 -0.44848727 -0.05721812 -2.24898811 0.31395222 -0.23165928 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 947-19-3 70355 144211779 A A (1-Hydroxycyclohexyl)(phenyl)methanone O=C(c1ccccc1)C2(O)CCCCC2 Tox21_301462 -NCGC00255302-01 196710863 tox21-ror-cho-viability-p1 set2 4 3.47357958 2.08945739 3.86973434 2.84408509 5.67226645 2.52924053 1.21016 2.1920302 -1.10862878 0.80393437 -1.28730648 1.58506023 1.57990118 1.78734903 0.21278344 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 143-16-8 8920 144212444 A Fc Dihexylamine CCCCCCNCCCCCC Tox21_302127 -NCGC00254363-01 196714512 tox21-ror-cho-viability-p1 set2 -2.1 13.7353679243 -81.0419815251 0.0756627079 -80.9663188172 0.8999999999 0.9892641673 1.3E-9 0.63045168 1.01131321 0.99375321 -0.59334445 0.21632831 -0.42566371 0.6204034 -7.00099586 0.08235896 -10.38812286 -15.53746101 -22.25133721 -35.7626402 -52.63041044 -63.23205971 7.326E-10 1.638E-9 3.663E-9 8.191E-9 1.8319999999E-8 4.095E-8 9.1579999999E-8 2.048E-7 4.5789999999E-7 0.000001024 0.000002289 0.000005119 0.000011449999999 0.0000256 0.00005724 3844-45-9 19700 144210834 Z Z FD&C Blue No. 1 [Na+].[Na+].CC/[N+](Cc1cccc(c1)S([O-])(=O)=O)=C2\C=C/C(C=C2)=C(\c3ccc(cc3)N(Cc4cccc(c4)S([O-])(=O)=O)CC)c5ccccc5S([O-])(=O)=O Tox21_300516 -NCGC00254897-01 196714113 tox21-ror-cho-viability-p1 set2 -2.4 68.1713220381 -28.8653675599 -3 -31.8653675599 3.1319983358 0.8753428503 0.0009543703 0.02602656 -0.71191795 -2.35041156 -5.82159768 -4.22718617 -4.28174371 -3.78610824 -2.79940838 -2.33320711 -4.2924519 0.3978911 -6.64300219 -1.25206236 -7.81903391 -23.6378063 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 112281-77-3 80277 144211312 A A Tetraconazole FC(F)C(F)(F)OCC(Cn1cncn1)c2ccc(Cl)cc2Cl Tox21_300995 -NCGC00255046-01 196714505 tox21-ror-cho-viability-p1 set2 4 0.08037225 -1.13747345 -0.72919142 2.91029108 -0.33492204 -1.34737118 0.63227866 0.23399664 2.59856445 3.92637593 0.92150415 4.24907542 5.17985784 1.59254545 2.73705315 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111406-87-2 60490 144211465 A B Zileuton NC(=O)N(O)C(C)c1cc2ccccc2s1 Tox21_301148 -NCGC00255038-01 196714529 tox21-ror-cho-viability-p1 set2 4 0.28196156 -1.45720906 -1.02427199 -0.59045932 -2.21295942 -0.51675258 0.39640451 -0.46053169 -1.51145354 -2.33803356 -1.85210887 5.03549731 5.84091559 5.69064126 5.57338924 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18436-37-8 86736 144211457 A A alpha-Hexyl-gamma-butyrolactone O=C1OCCC1CCCCCC Tox21_301140 -NCGC00254105-01 196714924 tox21-ror-cho-viability-p1 set2 4 -1.61940824 -1.13969524 4.03379596 -0.00565464 1.50682799 0.0732016 3.99815818 3.87802791 -0.57718985 0.89224459 -1.9142948 0.75282476 5.57882481 0.22786484 4.06576829 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 87-62-7 6896 144210375 A A 2,6-Dimethylaniline Cc1cccc(C)c1N Tox21_300055 -NCGC00259078-01 196712041 tox21-ror-cho-viability-p1 set2 -3 78.2912055491 -85.0340334487 -7.9989359639 -93.0329694126 4.9549173134 0.9477836621 0.0000106525 -4.25343639 -10.86908795 -13.06410889 -5.95525691 -7.6166973 -5.8955093 -2.37760633 -9.26782693 -7.77369685 -14.23183741 -7.73520699 -7.81604483 -12.15299807 -5.33973215 -73.83569001 1.197E-9 2.676E-9 5.9839999999E-9 1.338E-8 2.992E-8 6.69E-8 1.496E-7 3.345E-7 7.48E-7 0.000001673 0.00000374 0.000008363 0.000018699999999 0.000041819999999 0.0000935 84852-15-3 338733 144208726 A A 4-Nonylphenol, branched Oc1ccc(CCCCCCC(C)C)cc1 Tox21_201528 -NCGC00357099-01 196711637 tox21-ror-cho-viability-p1 set2 4 5.643663609 -11.142196148 -0.5 -11.642196148 3.5117481694 0.6102541693 0.1036147738 -0.86026202 2.23856548 0.23776539 1.70245526 2.0169332 1.34545426 -11.49263319 -0.93679182 -0.54129397 -0.1944111 -2.15790863 -7.90128137 -12.61849679 -10.70188474 0.22612786 1.003E-9 2.242E-9 5.014E-9 1.1209999999E-8 2.507E-8 5.6059999999E-8 1.253E-7 2.803E-7 6.267E-7 0.000001401 0.0000031339999999 0.0000070069999999 0.00001567 0.000035039999999 0.00007834 5103-71-9 12303038 251919738 Fns cis-Chlordane ClC2=C(Cl)[C@]3(Cl)[C@H]1C[C@H](Cl)[C@H](Cl)[C@H]1[C@@]2(Cl)C3(Cl)Cl Tox21_303821 -NCGC00260274-01 196712037 tox21-ror-cho-viability-p1 set2 4 48.1623481117 10.37491618 -3.87491618 6.5 3.9294729863 0.5848346702 0.1092357985 -1.51968459 -0.44031171 -3.81948186 -3.52370304 -2.31103336 -1.87889324 -6.66060414 -2.15055098 -9.06243015 -3.61121285 -6.83518783 -4.37306458 -6.68090331 0.80917704 6.26406131 1.2899999999E-9 2.885E-9 6.451E-9 1.443E-8 3.2259999999E-8 7.213E-8 1.613E-7 3.6059999999E-7 8.064E-7 0.000001803 0.000004032 0.000009016 0.00002016 0.000045079999999 0.0001008 103-30-0 638088 144209924 A A trans-Stilbene C(=C/c1ccccc1)\c2ccccc2 Tox21_202726 -NCGC00357045-01 196712039 tox21-ror-cho-viability-p1 set2 4 -1.38303167 -5.1105783 -4.95346145 -5.52325361 -2.50661717 -22.1375057 -7.19498122 -9.28089436 -1.42762429 -4.11210343 -5.75702172 -18.33694169 0 -17.48100477 8.87788211 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 364-76-1 67768 251919897 F 4-Fluoro-3-nitroaniline O=[N+]([O-])c1cc(N)ccc1F Tox21_303736 -NCGC00260605-01 196712055 tox21-ror-cho-viability-p1 set2 -1.2 6.6824247267 -32.943409288 -3 -35.943409288 4.9549173134 0.8092622188 0.0251404667 -0.9552143 1.01293591 -0.41017023 -5.66918864 0.97799048 -12.7405242 1.81226247 -10.60769855 -9.12300863 0 -0.02619726 0 -36.61950774 -21.63802913 -31.46593532 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49501 144210258 M M NTP Mix8 AR1 8-EQC Tox21_203060 -NCGC00159477-05 196712452 tox21-ror-cho-viability-p1 set2 4 -0.60106204 2.66269441 1.64387318 2.45582842 2.72691839 -5.72983193 -7.15251799 0.97250985 2.53418037 -0.12229699 3.5299204 -5.76294959 -1.4461263 -7.71343341 -1.50857268 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103-82-2 999 170465102 Fc Phenylacetic acid OC(=O)Cc1ccccc1 Tox21_113042_1 -NCGC00188943-03 196712463 tox21-ror-cho-viability-p1 set2 4 -4.58545154 -3.4613236 -4.15250698 2.37076562 -3.21487658 -4.76051902 -3.94256662 1.91292468 1.62365309 -4.59172736 -4.72484647 -2.51766634 0.85060524 -3.53184772 0.5994088 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 65-86-1 967 170465761 A Orotic acid OC(=O)c1cc(O)nc(O)n1 Tox21_111121_1 -NCGC00254550-01 196698977 tox21-ror-cho-viability-p1 set1 4 -2.95431162 0.90905343 -0.21513407 0.79282021 -4.41791267 1.86310211 -2.05028048 -0.29178951 0.50107033 -2.91940413 1.35907132 1.45673137 0.24787739 -2.95832481 -4.18522856 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-48-8 5125 144210959 A Ac Tribufos CCCCSP(=O)(SCCCC)SCCCC Tox21_300642 -NCGC00254999-01 196698981 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -19.30999246 0.5 -18.80999246 4.9549173134 0.9167059713 0.000129631 0.44681053 0.74175367 0.18283459 0.69467053 0.27141721 2.42985206 -0.89195621 0.29243026 0.86524378 3.69994148 -0.56244057 -0.54532428 0.32445631 0.68895151 -15.25832705 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4824-78-6 20965 144211416 B C Bromophos-ethyl Clc1cc(OP(=S)(OCC)OCC)c(Cl)cc1Br Tox21_301099 -NCGC00091278-03 196699374 tox21-ror-cho-viability-p1 set1 4 1.20639381 2.8993511 0.97948423 1.97346538 3.19420535 -0.95616662 7.4756656 4.31589283 4.94173873 0.3134806 3.03576076 -3.34095842 7.85011621 5.04833898 -3.50770524 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00254517-01 196699382 tox21-ror-cho-viability-p1 set1 4 0.38446715 -0.26767489 0.00711671 0.21032382 -1.56306244 0.10298896 -1.60641445 0.64196751 5.36115586 4.29609032 4.7130667 -0.10009952 5.32304306 -0.67254067 4.33754681 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-65-0 7820 144210668 A Ac Dimethyl succinate COC(=O)CCC(=O)OC Tox21_300350 -NCGC00259036-01 196721438 tox21-ror-cho-viability-p1 set3 4 -6.37056388 -3.19742371 -6.15778901 -4.04361068 -3.75037105 -2.17562846 -4.61147993 -2.39279281 -4.43221268 -1.34905362 -3.61553378 -2.71776691 -6.03805298 -1.58405371 1.72674965 1.182E-9 2.6429999999E-9 5.91E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.304E-7 7.387E-7 0.0000016519999999 0.0000036939999999 0.000008259 0.000018469999999 0.000041299999999 0.00009234 110-98-5 8087 144208683 A I 1,1'-Oxybis-2-propanol CC(O)COCC(C)O Tox21_201485 -NCGC00259003-01 196721035 tox21-ror-cho-viability-p1 set3 4 21.4035113493 9.726178336 -5.226178336 4.5 4.9549173134 0.7274633523 0.0273380324 -8.52181528 -4.4627162 -3.37484079 -3.12342059 -4.32174096 -8.18579994 -6.0064722 -5.54636789 -6.33825801 -0.92102812 -5.03236285 -4.05654684 -3.15278577 5.62319944 3.09497978 1.167E-9 2.609E-9 5.8339999999E-9 1.305E-8 2.917E-8 6.523E-8 1.459E-7 3.261E-7 7.2929999999E-7 0.000001631 0.000003646 0.000008154 0.00001823 0.00004077 0.000091159999999 108-67-8 7947 144208650 AC Fc 1,3,5-Trimethylbenzene Cc1cc(C)cc(C)c1 Tox21_201452 -NCGC00259980-01 196721044 tox21-ror-cho-viability-p1 set3 4 -7.6870635 -5.40345336 -1.83834147 3.30058966 -1.95328837 -5.30492902 -4.96215181 -6.53191388 -6.69087793 -1.92521178 -5.41104869 -6.49979547 -6.66436671 -3.01770354 0.72589536 1.202E-9 2.688E-9 6.01E-9 1.344E-8 3.005E-8 6.719E-8 1.503E-7 3.36E-7 7.5129999999E-7 0.0000016799999999 0.0000037559999999 0.0000083989999999 0.00001878 0.000042 0.000093909999999 627-03-2 12301 144209629 A A Ethoxyacetic acid O=C(O)COCC Tox21_202431 -NCGC00259343-01 196721427 tox21-ror-cho-viability-p1 set3 4 -9.11494782 -5.23234999 -3.77042326 3.25039133 -2.99114634 -6.99378337 -7.47125096 -6.66936493 -7.49779242 -1.34034998 -7.00814537 -4.81049191 -6.02693081 -1.63852558 -7.35206968 1.195E-9 2.6729999999E-9 5.976E-9 1.336E-8 2.988E-8 6.682E-8 1.494E-7 3.341E-7 7.4709999999E-7 0.0000016699999999 0.000003735 0.000008352 0.000018679999999 0.000041759999999 0.000093379999999 3290-92-4 18689 144208992 Ac Ac Trimethylolpropane trimethacrylate O=C(OCC(COC(=O)C(=C)C)(CC)COC(=O)C(=C)C)C(=C)C Tox21_201794 -NCGC00015675-08 196721442 tox21-ror-cho-viability-p1 set3 4 27.3060203028 6.93050564 -5.43050564 1.5 4.9549173134 0.5445921629 0.1422232627 -6.35447632 -5.39717235 -4.56826398 -2.51300627 -7.47595986 -5.52202447 -4.98996741 -4.8679073 -4.96415249 -0.3239013 -7.86503474 -9.1087547 -4.72435907 0.59941733 1.64443644 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00090721-03 196721447 tox21-ror-cho-viability-p1 set3 4 -7.25765927 -5.20946938 -0.67603264 3.52912084 -2.17271294 -3.9274761 -3.62214828 -6.03381049 -3.08385626 -3.67891759 -7.3806542 -3.38651891 -1.87543791 -0.28592909 0.23624953 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00259984-01 196721830 tox21-ror-cho-viability-p1 set3 4 -7.55686422 -4.71404145 -1.83888255 2.38755741 -4.52594555 -6.93036974 -2.59355434 -7.46561255 -6.08611015 0.62237938 -5.5845955 -3.56448701 -3.57879276 0.79692819 -3.04866024 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004129 0.000092319999999 99-08-1 7422 144209633 A Ac 3-Nitrotoluene Cc1cc(ccc1)[N+](=O)[O-] Tox21_202435 -NCGC00094521-05 196721837 tox21-ror-cho-viability-p1 set3 4 -16.52123405 3.79924451 -2.47331597 -10.47475626 1.40233227 -4.21593797 -2.99826561 -1.7401885 -0.19313059 -1.04471295 0.49415217 -1.17620182 -12.88252131 -0.83625399 -24.41386036 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00091643-08 196721844 tox21-ror-cho-viability-p1 set3 -2.2 61.130564862 -44.9573122604 -4.078145908 -49.0354581684 1.0999999999 0.8520691181 0.0021150205 -5.29485798 -3.06763877 -2.21349561 3.63338471 -6.60973586 -8.75843851 -6.81245638 -7.59858907 -3.18295706 -4.72198608 -7.79857385 -5.85016053 -9.13414453 -19.34338412 -37.14807437 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00024740-04 196725308 tox21-ror-cho-viability-p1 set3 1.2 8.4126743008 51.7288299708 2.5802375019 54.3090674727 1.6266150999 0.9731263672 2.595E-7 1.05446165 1.50697862 2.14016058 1.68237784 3.82385032 0.66311729 2.91351007 0.16262268 2.75987315 8.86943938 10.75967044 11.31021802 29.98777134 49.36024766 48.01024763 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98330-05-3 65854 170466301 A Anpirtoline Clc2nc(SC1CCNCC1)ccc2 Tox21_110922_1 -NCGC00258705-01 196724896 tox21-ror-cho-viability-p1 set3 -2.2 46.7669079652 -50.2425615668 -0.231644026 -50.4742055928 1.92824246 0.9480157082 0.0000104174 -5.41336697 -3.59961715 4.07840572 0.00835276 -2.09865568 0.89105925 -0.76984918 1.71696636 3.49424397 1.2103935 0.34399154 -0.79345979 -7.71627699 -18.82238087 -38.23803454 1.039E-9 2.324E-9 5.197E-9 1.1619999999E-8 2.598E-8 5.81E-8 1.299E-7 2.9049999999E-7 6.4959999999E-7 0.000001453 0.000003248 0.000007263 0.000016239999999 0.00003631 0.0000812 17924-92-4 5281576 144208351 A A Zearalenone Oc1cc(O)cc2C=CCCCC(=O)CCC[C@H](C)OC(=O)c12 Tox21_201153 -NCGC00260661-01 196724898 tox21-ror-cho-viability-p1 set3 4 -1.37035129 -0.43083506 3.20357922 4.2964912 -0.58696163 9.41993571 -0.14208632 -1.98673725 -6.78008757 2.58681579 1.25490594 -2.0079433 -0.18307566 1.35065025 -1.0365498 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49557 144210314 M M NTP Mix27 AR2 2-EQP Tox21_203116 -NCGC00023648-04 196725302 tox21-ror-cho-viability-p1 set3 4 0.13788188 3.55357867 -0.2048324 2.79241548 -0.06235005 1.85543578 -2.19704714 4.97557244 -2.708661 4.06349321 1.690431 3.82339767 1.64356672 -1.02698615 0.12839178 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 382-67-2 5311067 170464795 A Desoximetasone OCC(=O)[C@H]4[C@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_110889_1 -NCGC00016570-06 196725312 tox21-ror-cho-viability-p1 set3 2.4 29.8492948118 23.4195402759 -2.4195402759 21 4.9549173134 0.7521323813 0.0189088357 -4.77196056 -9.93295023 -2.80008369 -1.85530299 -0.19268189 2.45138271 0.67626453 -0.6105488 -4.16251765 -6.45879311 0.89048347 -3.9009075 -2.33661045 0.76796426 18.48323926 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1212-72-2 71611 170465271 A Mephentermine hemisulfate O=S(=O)(O)O.CC(C)(NC)Cc1ccccc1.CC(C)(NC)Cc1ccccc1 Tox21_110501_1 -NCGC00159430-04 196725710 tox21-ror-cho-viability-p1 set3 4 1.88432008 -0.31147437 2.95830913 4.18085795 -0.84006077 3.88261439 7.04692369 15.77404049 7.87911735 0.58646463 -1.34614196 2.33453479 2.5292351 3.55068347 5.23382819 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56-29-1 3608 170465860 A Hexobarbital CC1(C(=O)N=C(O)N(C)C1=O)C2=CCCCC2 Tox21_111661_1 -NCGC00160456-03 196725723 tox21-ror-cho-viability-p1 set3 4 0.0105909295 -16.7844420479 2.5 -14.2844420479 1.6266150999 0.8555184057 0.0019020629 5.46027642 -1.79289859 0 0 -8.87404885 -13.88362121 -11.16874638 -10.82176585 -20.23703504 -11.47672517 -16.27945874 -13.90933659 -16.28569945 -12.83223258 -13.39846303 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 147-58-0 8614 170465302 A 2-Iodohippuric acid O=C(NCC(=O)O)c1ccccc1I Tox21_111826_1 -NCGC00249924-01 196725724 tox21-ror-cho-viability-p1 set3 4 23.7101376556 -13.944538968 5 -8.944538968 4.4494702849 0.417941806 0.2551981607 5.86233895 2.02289932 -2.65714391 3.78178026 10.26588527 1.31621329 6.19853581 8.07302795 0.30530644 0.44004894 7.87962476 12.26525171 6.45120711 -0.3061191 -7.87044914 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64622-45-3 3673 170465895 A A Ibuprofen piconol CC(C)Cc1ccc(cc1)C(C)C(=O)OCc2ccccn2 Tox21_113700 -NCGC00016268-08 196725726 tox21-ror-cho-viability-p1 set3 4 0 -0.46010698 -7.94309147 -1.59961829 5.91568095 -1.36297645 1.00756571 6.1314175 -3.13743752 -0.72141129 0.4068225 -12.31995722 2.87492653 1.56470558 -0.05598108 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-67-6 938 170465044 Z Niacin O=C(O)c1cccnc1 Tox21_110337_1 -NCGC00094532-06 196726135 tox21-ror-cho-viability-p1 set3 4 4.39738462 3.16099688 3.4858563 -0.34817906 2.50141145 -0.08619375 -1.0397075 -4.19558405 -3.25053569 0.03860881 0.1923739 -0.05489775 -1.81529643 -1.96466228 -4.69589417 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00254952-01 196719920 tox21-ror-cho-viability-p1 set3 2.2 19.3311819617 60.5428832351 -2.2563349044 58.2865483307 1.3437170999 0.9191042624 0.0002165851 -5.66759 7.37636311 -3.81395963 1.05745694 0.45554548 -6.9292827 -1.18533719 -4.73197967 -6.22703742 -0.47039183 7.26159876 12.4273538 23.19488128 44.24680401 7.11210062 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78587-05-0 13218777 144211367 A A Hexythiazox Clc1ccc(cc1)[C@@H]2SC(=O)N([C@H]2C)C(=O)NC3CCCCC3 Tox21_301050 -NCGC00164339-05 196722747 tox21-ror-cho-viability-p1 set3 4 -1.85662359 0.33196103 0.90380711 -0.26283278 -0.33106934 -0.4576184 -0.64401551 7.80290172 4.14273034 7.55984694 -7.27025138 -4.2562919 -2.18585158 3.81425513 7.8712421 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 102-60-3 7615 170466358 Z N,N,N',N'-Tetrakis(2-Hydroxypropyl)ethylenediamine CC(O)CN(CC(C)O)CCN(CC(C)O)CC(C)O Tox21_112102_1 -NCGC00255006-01 196719923 tox21-ror-cho-viability-p1 set3 4 -3.1159158 14.68185558 1.41168668 -0.88603384 -3.7179706 9.01249297 7.04932484 15.65579608 0.55224539 13.95309513 16.60934763 1.20257251 -6.26981281 11.69521371 4.44195353 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18268-70-7 28999 144211423 A A Tetraethylene glycol di(2-ethylhexanoate) O=C(OCCOCCOCCOCCOC(=O)C(CC)CCCC)C(CC)CCCC Tox21_301106 -NCGC00254075-01 196719519 tox21-ror-cho-viability-p1 set3 4 -4.22495623 10.07342101 1.24390091 -0.19617295 -3.51731513 2.92965754 0.28284651 1.35754422 -3.7382799 -4.01649373 -1.25384991 -0.16009549 -4.656328 -4.40132233 -3.09691601 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 53-86-1 3715 144210586 A A Indomethacin Clc1ccc(cc1)C(=O)n3c2ccc(cc2c(CC(=O)O)c3C)OC Tox21_300266 -NCGC00254015-01 196719922 tox21-ror-cho-viability-p1 set3 4 43.2771256911 21.486417308 -7.486417308 14 0.6 0.5800670771 0.111884739 -13.73868109 -11.9893554 -3.61205179 -2.18936039 -9.24970633 -8.43300814 -0.08325653 -6.13063145 -8.31790449 -4.75609663 -0.41264169 -2.17117934 -2.40096997 0.55133343 9.76673246 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4180-23-8 637563 144210452 C (E)-Anethole COc1ccc(/C=C/C)cc1 Tox21_300132 -NCGC00253961-01 196719936 tox21-ror-cho-viability-p1 set3 -1.2 30.6378586933 -28.630818448 -3.5 -32.130818448 4.9549173134 0.8493997719 0.0022942834 -3.47297632 -9.58416817 -8.45460334 -6.31944244 0.61300476 0.93298654 -7.4092473 0.66259947 -7.05152416 1.07138869 -6.84318701 0.92917511 -3.18791661 -28.04508588 -31.77568204 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 599-64-4 11742 144210376 A A 4-Cumylphenol CC(C)(c1ccc(O)cc1)c2ccccc2 Tox21_300056 -NCGC00090789-02 196719938 tox21-ror-cho-viability-p1 set3 1.4 0.0273060203 20.020440064 -16.520440064 3.5 0.3 0.7177446282 0.0308095463 -12.01617814 -12.10036672 -6.12761802 -3.12015849 -8.3565276 -10.4205002 -3.42128725 1.86222167 -0.75280694 -4.50558861 0.72822118 -0.36674408 1.93031096 0.14670636 3.5085554 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00254204-01 196720341 tox21-ror-cho-viability-p1 set3 4 -2.23856718 0.15188561 10.32917613 -2.97345998 0.47292089 2.25613376 9.05832455 -1.58011122 -1.65108917 2.22514213 3.89254722 4.90354194 0.44630901 -3.29450416 1.22042117 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-12-7 8418 144210334 F Anthracene c1ccc2cc3ccccc3cc2c1 Tox21_300014 -NCGC00091775-03 196720354 tox21-ror-cho-viability-p1 set3 -1.2 19.272220481 -26.7717858359 -5.148332152 -31.9201179879 1.8851180601 0.8907554078 0.0005002488 -8.39467634 -11.72442261 -8.69666243 -4.02046182 -5.33862979 -6.03601253 -3.18418166 -3.61454194 -2.21286393 -3.50177712 -0.95694346 -8.37159666 -19.75995453 -25.47876583 -30.76676499 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00254010-01 196720753 tox21-ror-cho-viability-p1 set3 4 0.0061130565 17.89117026 -19.39117026 -1.5 0.5 0.6236177488 0.0939966539 -10.75244382 -18.65930855 -7.3403339 -5.4039312 -11.81425302 -4.76602728 -3.06771732 -6.54519755 0.24945285 -0.30540345 -4.02439391 -3.58646422 -3.22359983 -0.89716895 -7.98669064 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131-18-0 8561 144210624 A A Dipentyl phthalate O=C(OCCCCC)c1ccccc1C(=O)OCCCCC Tox21_300304 -NCGC00258834-01 196721154 tox21-ror-cho-viability-p1 set3 4 53.6526417339 13.930673232 -5.430673232 8.5 3.2974983358 0.6512995943 0.0640861912 -5.71180923 -7.13016847 -4.82671582 0.54661914 -7.58149792 -4.11206837 -5.94714045 -9.10889436 -5.70181173 -2.1354782 -5.40862792 -5.59079112 -5.12479792 -1.47018572 6.27672675 1.165E-9 2.605E-9 5.8259999999E-9 1.303E-8 2.9129999999E-8 6.5129999999E-8 1.456E-7 3.2569999999E-7 7.282E-7 0.000001628 0.000003641 0.000008142 0.00001821 0.00004071 0.00009103 957-51-7 13728 144208480 A A Diphenamid O=C(C(c1ccccc1)c2ccccc2)N(C)C Tox21_201282 -NCGC00258973-01 196721157 tox21-ror-cho-viability-p1 set3 4 48.5083571201 13.133013308 -3.133013308 10 3.1319983358 0.5387040667 0.1457123026 -8.02751109 -3.60111232 0.86576005 4.5836008 -3.37223439 -3.32071289 -5.86836466 -5.32535782 -4.60124129 -2.60398835 -6.07830523 -2.88634962 -3.07933693 1.90195876 8.32129342 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.9479999999E-8 6.591E-8 1.474E-7 3.296E-7 7.369E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 142-16-5 5365125 144208620 A Ac Bis(2-ethylhexyl) maleate O=C(\C=C/C(=O)OCC(CC)CCCC)OCC(CCCC)CC Tox21_201422 -NCGC00177980-03 196698102 tox21-ror-cho-viability-p1 set1 -2.2 26.6032120037 -68.6750014011 1.410539825 -67.2644615761 3.6272481694 0.9799631182 4.8E-8 0.91093695 6.95455288 -1.43713115 1.26275156 -1.20624474 -0.39538506 2.83204677 1.52117854 -1.69838851 3.40745815 0.3662299 3.64044975 1.40545562 -18.15456963 -58.94004887 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64211-46-7 9556529 170465226 A Oxiconazole nitrate [O-][N+](=O)O.Clc3ccc(C(=N\OCc1ccc(Cl)cc1Cl)\Cn2ccnc2)c(Cl)c3 Tox21_111467_1 -NCGC00255139-01 196701411 tox21-ror-cho-viability-p1 set1 4 0.1087072248 21.925672152 -14.925672152 7 0.2 0.5397087817 0.1445555497 -8.44906538 -6.32082435 -12.02139346 -5.7186854 -0.02191309 -7.7612298 0.65851654 -7.87020065 0.20399258 -0.05570461 0.39515541 0.04798476 -3.12720426 -0.00392181 6.68635946 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7227-91-0 23654 144212193 A F 1-Phenyl-3,3-dimethyltriazene CN(C)/N=N/c1ccccc1 Tox21_301876 -NCGC00255718-01 196701419 tox21-ror-cho-viability-p1 set1 4 76.9588215421 13.4686576759 -0.4686576759 13 4.9549173134 0.6260148871 0.0804729928 -0.36477712 -0.0948412 -1.24592792 0.49117009 -1.09656804 -0.15242455 -2.76191455 -0.98163554 -3.30721473 0.46805703 5.33140046 0.59600869 0.02809858 -0.76089566 9.44945629 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-69-6 7155 144211632 A A 1-(o-Tolyl)biguanide N=C(N)NC(=N)Nc1ccccc1C Tox21_301315 -NCGC00091468-02 196701421 tox21-ror-cho-viability-p1 set1 4 -2.33124561 3.43208183 -1.35321035 0 4.53194086 2.93927572 2.73125713 1.19259563 3.44088642 4.55309634 0.0041585 1.48758675 3.32195526 3.92813081 4.6514541 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00016280-07 196697688 tox21-ror-cho-viability-p1 set1 4 -2.73797572 -3.27370058 -0.71161604 1.40420907 -0.06709373 -2.43252158 -0.36412244 0.96223492 -2.19129618 -1.27474348 1.08412196 1.57843234 -2.37111716 0.08176899 -7.68172955 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61-80-3 6103 170466122 A Zoxazolamine Clc1cc2nc(N)oc2cc1 Tox21_110346_1 -NCGC00015860-06 196697698 tox21-ror-cho-viability-p1 set1 4 1.76423656 0.94413174 0.38858823 0.29790901 2.80091261 0.99732561 2.77440224 1.29307616 -3.46636397 1.63024563 1.96665679 1.701291 0.34629423 0.67174796 1.2571069 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1786-81-8 92163 170464697 A Prilocaine hydrochloride Cl.O=C(Nc1ccccc1C)C(C)NCCC Tox21_110513_1 -NCGC00185769-01 196698100 tox21-ror-cho-viability-p1 set1 4 0.34070416 2.32585921 -0.45390928 0.91760554 -0.35844158 0.0793633 -0.10462911 2.47911412 -1.4183818 0.64163437 5.41857911 4.30221528 -3.3289394 2.91517053 4.96809689 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 49763-96-4 5311454 144207171 F F Stiripentol CC(C)(C)C(O)/C=C/c1ccc2OCOc2c1 Tox21_113622 -NCGC00274063-01 196698104 tox21-ror-cho-viability-p1 set1 -2.4 29.8492948118 -29.6879335119 1 -28.6879335119 2.5334283767 0.8274915374 0.0042332808 4.76392829 6.37190083 3.12735657 -0.67294857 0.47694053 0.88810727 -4.02133182 4.5050173 0.0829033 -2.22704436 0.1931682 -0.88297796 -0.83576105 -6.48186334 -21.40661126 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77469-98-8 10126299 170465745 F Pimobendan Cl.COc1ccc(cc1)c2nc3ccc(cc3n2)C4=NNC(=O)CC4C Tox21_112667_1 -NCGC00090952-07 196698108 tox21-ror-cho-viability-p1 set1 4 27.7787679881 -7.0437936959 1 -6.0437936959 4.9549173134 0.659183423 0.0602902305 1.327011 1.00352521 0.81769278 0.79198755 6.02504509 -0.17637611 0.2376091 -0.0077893 1.70415968 1.55125036 -1.53190489 -0.11220278 0.47212143 -5.86982808 -5.25458832 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00091643-08 196698110 tox21-ror-cho-viability-p1 set1 4 -0.49682678 0.33960671 1.24661624 -1.20349069 -1.27380466 0.40527832 -0.7670168 -0.96225051 -3.00247719 -1.36750802 0.11803643 0.43081145 -0.25927618 4.7728808 -5.61959884 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00016570-06 196698525 tox21-ror-cho-viability-p1 set1 4 0.4730794415 4.500141732 -3.000141732 1.5 2.3331733767 0.3928117507 0.281408473 -0.72440028 0.58394649 -8.75011811 -3.42313177 -0.91459127 -4.00725224 -2.15863773 -4.39744745 -1.03094669 0.62564072 0.2800971 4.74595165 -2.63171431 0.49730116 4.39672566 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1212-72-2 71611 170465271 A Mephentermine hemisulfate O=S(=O)(O)O.CC(C)(NC)Cc1ccccc1.CC(C)(NC)Cc1ccccc1 Tox21_110501_1 -NCGC00091902-08 196698529 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -37.0077730079 -1.5 -38.5077730079 4.5044702849 0.9217755051 0.0000923291 1.18219598 -3.50578823 -2.59573066 -0.75072049 0.38944637 -0.74141098 2.12313482 -5.72608931 0.05855725 -0.34940435 -4.92559985 -2.13359753 0.66039702 -4.80134521 -30.83981084 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00090773-04 196698531 tox21-ror-cho-viability-p1 set1 4 0.25275337 5.78683592 0.09752554 -2.22537655 4.52255418 0.43717538 2.86197937 3.45803731 3.6138058 -0.76262533 1.89269561 0.90058168 0.00883353 3.18765679 0.11588463 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00255125-01 196728841 tox21-ror-cho-viability-p1 set3 4 -1.61395653 -4.94684268 1.04518785 -1.74471058 0.27039669 6.11364442 3.73236573 -3.30844684 3.96146518 -1.10084231 2.71090392 2.21350924 0.90161332 -3.56829615 -1.39412791 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.9409999999E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.0000411 0.00009189 125401-92-5 23682789 144212752 A A Bispyribac-sodium [Na+].COc1nc(nc(OC)c1)Oc3cccc(Oc2nc(cc(OC)n2)OC)c3C([O-])=O Tox21_302435 -NCGC00255619-01 196728836 tox21-ror-cho-viability-p1 set3 4 1.45074803 -6.03189354 -13.80104286 -10.77066882 -7.77334066 10.55465489 9.92384195 -0.99961319 10.34564097 7.99232568 7.08907945 -4.95111173 -0.45533641 -13.83112335 -15.92083331 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135-62-6 67274 144212309 A A 3-Hydroxy-2-naphthoic o-anisidide COc3ccccc3NC(=O)c1cc2ccccc2cc1O Tox21_301992 -NCGC00091775-03 196728837 tox21-ror-cho-viability-p1 set3 -2.2 61.130564862 -48.3521991815 -2.109375128 -50.4615743095 3.1924983358 0.7999186549 0.0079576892 -0.71951071 -0.56996855 0.66781353 0.5610561 -11.32328529 -0.60708281 -8.98108189 -0.11323373 5.9713465 -2.16058823 -11.72968944 3.46243102 -3.58607908 -12.59435592 -40.12240478 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00255528-01 196728843 tox21-ror-cho-viability-p1 set3 4 3.58545795 -0.17232318 2.84755132 -1.84826464 -1.15500388 -0.84385414 2.88193049 1.99177539 1.0587097 -8.14302092 0.41606773 -0.95314784 2.27914305 0.24599051 -0.25039723 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6358-64-1 22833 144212042 A A 2,5-Dimethoxy-4-chloroaniline COc1cc(N)c(cc1Cl)OC Tox21_301725 -NCGC00255475-01 196728847 tox21-ror-cho-viability-p1 set3 4 10.8707224818 -6.6602423319 3.5 -3.1602423319 3.9899729863 0.4695726143 0.2075535904 -1.81996439 3.80721894 -0.44139502 5.35995377 6.71312933 5.60093962 -1.87803615 5.01846977 6.54298778 4.41068664 5.82831685 1.96080773 -3.17711707 -4.71686861 -1.24732398 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 557-34-6 11192 144212333 A Zinc acetate [Zn+2].[O-]C(C)=O.[O-]C(C)=O Tox21_302016 -NCGC00255688-01 196728854 tox21-ror-cho-viability-p1 set3 4 -0.17441702 5.26916642 -1.67509651 -0.14213959 7.68695998 0.18154241 2.01134285 1.01053738 -0.08818398 -5.53113824 -4.64493664 7.94533378 6.18076442 -4.02618533 -3.34333279 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25059-80-7 3034351 144212280 A A Benazolin-ethyl O=C(OCC)CN2c1c(cccc1Cl)SC2=O Tox21_301963 -NCGC00096122-05 196725595 tox21-ror-cho-viability-p1 set3 4 0.1059092946 -13.4988894719 1 -12.4988894719 2.4063783767 0.7758100596 0.0127189695 -1.3495497 -5.51710223 9.41581931 1.5433181 0.72134355 1.62997764 -3.99755564 -7.75056624 -13.6354196 -14.77439219 -9.82448643 -9.17288855 -11.73697705 -11.97919428 -17.49907456 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 574-25-4 676166 170465903 A Thioinosine Sc3ncnc2c3ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Tox21_111558_1 -NCGC00253767-01 196725168 tox21-ror-cho-viability-p1 set3 4 0.0375780358 7.360515484 0.139484516 7.5 1.9673362061 0.4069614951 0.2658372704 -1.1423446 1.68850962 1.84132911 -1.55042957 2.27462328 2.49315945 8.40401807 1.2098438 12.84557005 15.87463847 1.19924707 9.48627179 7.17382482 4.52760901 4.65736233 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 163252-36-6 72327 170466517 A A Clevudine CC1=CN(C(=O)NC1=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F Tox21_113880 -NCGC00090750-04 196725178 tox21-ror-cho-viability-p1 set3 4 0.0174393987 20.42930686 -2.92930686 17.5 4.9549173134 0.573613876 0.1313127729 -9.94108905 1.75529679 0 0 22.70142822 26.38964098 26.74240129 22.99013613 21.63920609 15.42412441 18.14039719 15.96015174 6.10326069 -0.75306507 2.64995212 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00013841-09 196725588 tox21-ror-cho-viability-p1 set3 4 -3.06148032 -10.10397483 -6.92655765 -4.33525143 -6.3795741 -4.37996327 -7.37824711 -7.36446745 -6.4696584 -5.50080291 0.74383141 -7.03715445 -1.29415654 -6.11392839 -9.00898083 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6202-23-9 22576 170464953 A Cyclobenzaprine hydrochloride Cl.CN(C)CC\C=C2/c3ccccc3C=Cc1ccccc12 Tox21_110040_1 -NCGC00021191-09 196725596 tox21-ror-cho-viability-p1 set3 4 0.0188336318 7.4162243119 -4.4162243119 3 4.9549173134 0.3611383923 0.3254684859 -1.97219085 -4.73401596 -7.01352026 -2.28999054 -4.41100419 7.48500849 2.69979572 -3.84226909 1.75611979 -4.3412906 4.88204342 12.25727353 8.86063538 -1.1955487 -1.8956203 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-04-4 5745 170464685 A Cortisone acetate CC(=O)OCC(=O)[C@@]3(O)CC[C@H]2[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4C(=O)C[C@@]23C Tox21_113482_1 -NCGC00090721-03 196725997 tox21-ror-cho-viability-p1 set3 4 -1.34726232 -3.47677172 -1.71469619 1.1638943 -2.31281493 0.23372821 -0.58266954 -1.15910115 7.68832017 4.68701819 -3.18436247 9.14570561 -4.8435885 0.37408275 -2.55934346 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00255861-01 196710773 tox21-ror-cho-viability-p1 set2 4 0.30212035 0.87694135 0 2.18683299 3.91154165 3.21188212 -0.09676032 -0.09471261 0.63579953 2.66195287 -0.14010639 0.56682547 0.16746754 1.3765142 0.24180328 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3724-43-4 77311 144212480 Bc N-(Chloromethylidene)-N-methylmethanaminium chloride [Cl-].C/[N+](C)=C\Cl Tox21_302163 -NCGC00255319-01 196711181 tox21-ror-cho-viability-p1 set2 4 3.81918933 3.91013127 -0.0152283 1.49822522 2.3887015 2.58779814 -0.56993174 0.53673709 2.02222437 1.90064139 -0.82184971 2.46240777 -0.65325586 -0.24300118 -0.96263987 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58-86-6 135191 144212372 A I D-Xylose O[C@H]1[C@H](O)COC(O)[C@@H]1O Tox21_302055 -NCGC00357289-01 196711187 tox21-ror-cho-viability-p1 set2 4 0.3814800105 -14.12235548 1 -13.12235548 4.9549173134 0.6132550566 0.0874790824 -2.17361468 -2.99289753 -2.38195896 6.02673063 4.56839496 -1.21706129 -1.68035024 5.97534917 -2.95332159 -19.4887215 -16.4182832 -4.3942732 -2.80779854 -15.71459715 -21.3519629 5.427E-10 1.213E-9 2.713E-9 6.067E-9 1.357E-8 3.034E-8 6.7829999999E-8 1.517E-7 3.3919999999E-7 7.5839999999E-7 0.000001696 0.0000037919999999 0.000008479 0.00001896 0.000042399999999 143201-11-0 23663992 251919809 F Cerivastatin sodium [Na+].CC(C)c1nc(c(/C=C/[C@@H](O)C[C@@H](O)CC([O-])=O)c(c1COC)c2ccc(F)cc2)C(C)C Tox21_303882 -NCGC00259622-01 196711193 tox21-ror-cho-viability-p1 set2 4 -7.75235376 -0.73479694 2.22986481 2.27072228 -1.18074278 -30.99082283 -1.15973374 1.21624106 1.76008347 4.2878635 -1.05051391 13.33392603 3.44788612 -0.12131298 -17.29978956 1.193E-9 2.667E-9 5.9649999999E-9 1.3339999999E-8 2.982E-8 6.669E-8 1.491E-7 3.3339999999E-7 7.456E-7 0.0000016669999999 0.000003728 0.000008336 0.00001864 0.00004168 0.0000932 90-30-2 7013 144209271 A A N-Phenyl-1-naphthylamine c1ccc3ccccc3c1Nc2ccccc2 Tox21_202073 -NCGC00090702-02 196708729 tox21-ror-cho-viability-p1 set2 4 -0.26864669 -2.86339435 2.40127448 0.38479985 0.39576136 -0.3724423 -0.3565785 -2.23360364 3.04864174 -0.33470436 -0.09001061 -0.51321996 2.5183715 1.74882306 3.5693509 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00258828-01 196708710 tox21-ror-cho-viability-p1 set2 -3 24.2375538006 -34.9363175899 -0.1231479509 -35.0594655408 4.9549173134 0.9362431389 0.0000688469 -1.85384697 -0.70741011 -1.48161682 -0.79576662 1.05484414 -2.16827474 0.86847337 6.85945447 0.26647512 -0.35722622 -1.20124309 -1.95585089 -4.82485896 -34.37202504 -15.17160508 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.571E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008214 0.00001837 0.00004107 0.00009184 133-06-2 8606 144208474 A F Captan ClC(Cl)(Cl)SN2C(=O)C1CC=CCC1C2=O Tox21_201276 -NCGC00259048-01 196708717 tox21-ror-cho-viability-p1 set2 4 0.21453233 -3.86443711 -1.96917001 -1.46079735 -1.54356581 6.34100997 -3.897593 -0.36877558 -4.20149935 -0.08422981 -0.57319257 -4.25819823 -1.34235145 -4.35043577 0.63795179 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 634-66-2 12463 144208695 A Ac 1,2,3,4-Tetrachlorobenzene Clc1ccc(Cl)c(Cl)c1Cl Tox21_201497 -NCGC00164449-04 196708724 tox21-ror-cho-viability-p1 set2 4 -0.34085505 1.73263098 -0.00913375 -0.0621606 -2.60769366 -0.1611912 1.20742658 -1.82155152 -0.21052862 0.35934803 -1.65205568 -1.5216413 -2.96153663 2.22090825 -3.70419106 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00259772-01 196709125 tox21-ror-cho-viability-p1 set2 4 -2.02560946 -2.33265742 1.02264693 -2.88224039 -3.36803866 -0.8117206 -2.11796488 -1.38446769 1.38251978 -0.13604785 1.60054928 -0.63726353 1.43693709 -2.88937623 -0.05827241 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 89-87-2 6991 144209421 A A 1,3-Dimethyl-4-nitrobenzene Cc1cc(C)ccc1[N+](=O)[O-] Tox21_202223 -NCGC00259545-01 196709143 tox21-ror-cho-viability-p1 set2 4 0.32345556 -14.45500273 0.87144383 -1.07099753 0.71089158 -1.25827813 1.27167973 -3.86426909 1.18889099 1.95494469 0.29560677 -0.49882661 -4.81051328 -7.72850734 -4.61440406 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004125 0.00009223 53-43-0 5881 144209194 A A Dehydroepiandrosterone O=C4CC[C@@H]3[C@]4(C)CC[C@H]2[C@H]3CC=C1C[C@@H](O)CC[C@@]12C Tox21_201996 -NCGC00258800-01 196709541 tox21-ror-cho-viability-p1 set2 4 42.9692342858 -16.336763816 -1 -17.336763816 2.2526478767 0.8569756 0.0018352468 -0.12287505 0.11514906 2.17084338 0.55941077 -1.92776938 -0.08499254 -2.54831777 -2.55381479 -2.03630236 -1.24843449 -2.61705913 -1.29070048 0.14080346 -10.52109068 -14.44730318 1.173E-9 2.6229999999E-9 5.865E-9 1.311E-8 2.9319999999E-8 6.557E-8 1.466E-7 3.2779999999E-7 7.3309999999E-7 0.0000016389999999 0.000003665 0.0000081959999999 0.00001833 0.00004098 0.00009164 137-09-7 8715 144208446 D 2,4-Diaminophenol dihydrochloride Cl.Cl.Nc1ccc(O)c(N)c1 Tox21_201248 -NCGC00259682-01 196709550 tox21-ror-cho-viability-p1 set2 4 2.48562636 -0.99732133 -2.07409427 -1.65855106 -1.66036489 -2.38486544 -0.52531849 -0.68771904 -1.11250351 -0.57127915 -0.09627687 -0.88408325 -0.12739409 0.98312538 0.71212795 1.1389999999E-9 2.5469999999E-9 5.6959999999E-9 1.2739999999E-8 2.8479999999E-8 6.369E-8 1.424E-7 3.184E-7 7.1199999999E-7 0.000001592 0.00000356 0.000007961 0.0000178 0.0000398 0.000089 7775-09-9 516902 144209331 Sodium chlorate [Na+].[O-]Cl(=O)=O Tox21_202133 -NCGC00255143-01 196709955 tox21-ror-cho-viability-p1 set2 4 0.0216899429 7.440333436 -9.440333436 -2 0.7999999999 0.4603019468 0.2171920822 -3.49221381 -10.36694453 -8.76327869 -8.52998216 -4.12773702 -3.90810889 -0.29026267 -4.12897595 -2.70485553 -0.1558361 -3.82325919 1.89953882 -2.38783921 -4.27297473 -3.89583378 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 38194-50-2 1548887 144211735 A B Sulindac CS(=O)c1ccc(cc1)/C=C3\c2ccc(F)cc2C(CC(=O)O)=C3C Tox21_301418 -NCGC00255904-01 196700647 tox21-ror-cho-viability-p1 set1 4 1.29558388 1.85339749 0.71106689 1.42262682 0.08250772 2.0938208 2.24034557 2.49987244 1.5655192 2.66726554 1.47409996 1.69709105 1.80998715 -1.52096399 -0.86011052 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68039-49-6 93375 144211961 Cc 2,4-Dimethylcyclohex-3-ene-1-carbaldehyde CC1C=C(C)CCC1C=O Tox21_301644 -NCGC00255266-01 196700659 tox21-ror-cho-viability-p1 set1 -2.1 48.5577336745 -86.458161385 -0.137476463 -86.595637848 2.7202212143 0.9886465113 1.7E-9 1.93064414 -3.92186168 1.32417346 0.06576442 2.81746323 0.61011057 0.86593276 -0.80664775 -4.74327875 0.30966767 -0.31652246 -3.54349102 -3.86077846 -34.95333127 -73.5573014 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21739-91-3 23665583 144212206 A A Cytembena [Na+].COc1ccc(cc1)C(=O)C(/Br)=C\C([O-])=O Tox21_301889 -NCGC00254193-01 196699816 tox21-ror-cho-viability-p1 set1 4 -1.77430194 -2.57003691 -0.76784463 -0.13771265 0.63241406 -2.02953431 -1.37175703 -0.13680073 0.52147393 -2.13671178 -0.88392096 1.37638709 0.62103148 -1.3335738 -2.5032827 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 264618-44-2 53316379 144210549 A B SSR146977 CN(C)C(=O)NC4(CCN(CCC[C@]1(CCCN(C1)C(=O)c2ccccc2)c3ccc(Cl)c(Cl)c3)CC4)c5ccccc5 Tox21_300229 -NCGC00255586-01 196700238 tox21-ror-cho-viability-p1 set1 4 3.28919675 0.08215737 -0.26452013 2.45475961 3.19387224 2.78774842 2.24955839 -7.34904566 -1.23268455 3.53774959 3.68488845 2.53327675 -1.00505335 0.68124475 2.14164132 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-89-0 7165 144212338 A Ac Ethyl benzoate O=C(OCC)c1ccccc1 Tox21_302021 -NCGC00255578-01 196700667 tox21-ror-cho-viability-p1 set1 4 2.04012839 0.75947719 1.45323576 5.48443843 6.57871066 1.67091165 0.90878285 1.13284411 -0.03366521 4.66928822 -0.0041585 1.52437713 -0.66813508 2.73161914 1.61888877 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4437-85-8 107282 144211788 A A Butylene carbonate O=C1OCC(CC)O1 Tox21_301471 -NCGC00256281-01 196700671 tox21-ror-cho-viability-p1 set1 4 0.5448267328 3.1856065079 -1.1856065079 2 4.9549173134 0.4143783408 0.2630621878 -0.09280896 -1.11698716 0.21886871 -0.65702879 -1.74014004 0.15248196 -1.29504774 -6.40467209 3.24694233 -0.95896394 0.77501331 2.96931241 3.89649633 1.02018038 3.34667146 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 116912-64-2 90258 144212126 F Fns 2-Silylpropyl-urea, Si-(ethoxy and methoxy) derivs CCO[Si](OCC)(OCC)CCCNC(N)=O Tox21_301809 -NCGC00255328-01 196701077 tox21-ror-cho-viability-p1 set1 4 2.16075382 0.33525472 -0.05623804 -0.61605513 0.42004614 2.19352484 -0.32422231 0.31638556 2.58140837 1.01923752 -0.79188155 2.53997819 1.96063477 1.90215627 -0.51546007 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51-41-2 439260 144212261 F Fns Norepinephrine Oc1ccc(cc1O)[C@@H](O)CN Tox21_301944 -NCGC00256258-01 196701081 tox21-ror-cho-viability-p1 set1 4 -2.42447247 -2.88405755 0.57163938 -3.50674206 -3.91616925 -3.76207692 -3.88555787 -2.38710594 -1.9408511 5.23117439 -4.85534974 0.17716158 -1.70622293 0.0292306 0.00890971 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2694-54-4 75903 144212105 A A Triallyl trimellitate O=C(OCC=C)c1cc(C(=O)OCC=C)c(cc1)C(=O)OCC=C Tox21_301788 -NCGC00260668-01 196701485 tox21-ror-cho-viability-p1 set1 4 -10.22551878 -3.1416915 -6.9898036 -7.15593608 -14.92831765 -7.48739239 -20.11877502 -11.65185621 -4.72798731 -21.67509552 -12.18145219 -23.54100423 -21.00978071 -5.12835766 -14.32366527 1.1689999999E-9 2.615E-9 5.8469999999E-9 1.3069999999E-8 2.9239999999E-8 6.537E-8 1.462E-7 3.269E-7 7.309E-7 0.0000016339999999 0.0000036539999999 0.0000081709999999 0.00001827 0.00004086 0.000091359999999 38716-68-6 6537488 144208142 A A 5-(Hydroxymethyl-2-furoyl)glycine O=C(NCC(=O)O)c1ccc(CO)o1 Tox21_200944 -NCGC00258104-01 196701487 tox21-ror-cho-viability-p1 set1 4 68.5896218971 14.6639416921 0.3360583079 15 4.9549173134 0.8220095966 0.004951147 0.26585837 -2.02893124 2.4533001 1.12735138 -0.81554217 -2.21995141 0.43678292 -0.6887531 2.32426855 -0.26290296 1.14187137 1.03824869 2.19958375 1.21359975 12.24581917 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 611-99-4 69150 144207748 A A 4,4'-Dihydoxybenzophenone O=C(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_200550 -NCGC00257732-01 196701494 tox21-ror-cho-viability-p1 set1 4 30.7625294801 -18.3053461919 4.5 -13.8053461919 4.9549173134 0.7559238708 0.0177968162 6.74257328 2.04139877 0.14335787 5.30594073 4.13270598 3.07618679 11.61289 4.17489962 11.14771603 1.41461481 3.52234112 0.51800424 5.61469873 -10.62110852 -14.00445516 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 106-79-6 7829 144207376 A A Dimethyl decanedioate O=C(CCCCCCCCC(=O)OC)OC Tox21_200178 -NCGC00258185-01 196701498 tox21-ror-cho-viability-p1 set1 4 0.4411466846 4.537310144 -1.537310144 3 4.9549173134 0.4741616917 0.221312111 -5.86442512 -1.05989323 0.06285336 -2.30365287 -0.81305764 0.66158723 -1.09989917 -2.74168627 6.8318035 1.22917466 5.04322977 4.73299423 0.32290542 -0.17752222 -6.27033954 1.1989999999E-9 2.68E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.701E-8 1.4979999999E-7 3.351E-7 7.492E-7 0.000001675 0.000003746 0.0000083759999999 0.00001873 0.00004188 0.00009365 88-26-6 6929 144207829 A A di-tert-Butyl-4-hydroxymethyl phenol CC(C)(C)c1cc(cc(c1O)C(C)(C)C)CO Tox21_200631 -NCGC00254896-01 196699786 tox21-ror-cho-viability-p1 set1 4 -3.66377181 -0.96669025 -6.87661406 -8.08205163 0.08463906 -24.69909546 -2.83961974 -3.30253538 -2.62153701 -7.30316187 -0.071722 -3.37903004 -12.99506345 -7.00169126 -8.05398145 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 128639-02-1 86222 144211311 A A Carfentrazone-ethyl O=C(OCC)C(Cl)Cc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F Tox21_300994 -NCGC00254726-01 196699356 tox21-ror-cho-viability-p1 set1 4 -0.53848791 -0.40931008 0.65356029 0.34419294 0.65323434 -0.23923741 0.98002861 2.03626322 -0.51511916 0.20272747 1.05158237 1.41600509 2.94571355 -0.19168557 3.66060487 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117718-60-2 91776 144211139 A A Thiazopyr CC(C)Cc1c(c(nc(C(F)F)c1C(=O)OC)C(F)(F)F)C2=NCCS2 Tox21_300822 -NCGC00254036-01 196699361 tox21-ror-cho-viability-p1 set1 4 -1.16735463 4.09576819 0.16351772 0.04492907 -1.38045991 -2.46421053 1.23655897 -3.77263235 0.45159621 0.4820057 2.95606702 0.8311129 -1.03865539 -0.49756953 2.04826545 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-61-6 8441 144210459 A A Dimethyl terephthalate COC(=O)c1ccc(cc1)C(=O)OC Tox21_300139 -NCGC00254939-01 196699368 tox21-ror-cho-viability-p1 set1 4 1.14331447 2.36209123 0.27873287 0.53094372 -0.14490255 5.6658585 4.66116753 0.5185665 -1.39266949 1.93632782 0.11236514 -1.95611548 0.0972644 0.499336 0.19207529 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-75-2 7828 144211354 FC Carbonochloridic acid, oxydi-2,1-ethanediyl ester O=C(Cl)OCCOCCOC(Cl)=O Tox21_301037 -NCGC00163843-03 196700185 tox21-ror-cho-viability-p1 set1 4 0.61388643 -0.71090815 -0.54557257 0.30143477 0.46469414 1.21567232 0.35936059 1.97565499 0.6682 -5.30352251 2.32652933 -0.40981171 0.25201209 -0.29561285 -7.53285781 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00256093-01 196700197 tox21-ror-cho-viability-p1 set1 4 -1.58843018 -1.93048388 -4.88283704 0.3749025 -8.20116381 -4.84074415 -0.69144935 -0.65749321 -10.0779341 -9.31330197 -2.44296854 -8.80313037 -2.2893827 -1.70670101 -8.38684096 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 31895-22-4 35969 144212698 F Fns Thiocyclam oxalate CN(C)C1CSSSC1.O=C(O)C(=O)O Tox21_302381 -NCGC00255740-01 196700598 tox21-ror-cho-viability-p1 set1 4 0.0096885416 6.322767676 -6.322767676 0 4.9549173134 0.6399584205 0.071347129 -3.79803166 -6.21575259 -9.43563973 0.4621456 0.29938103 0.86144372 -0.39056424 -0.2354846 -0.47042111 1.84947637 0.58974667 -4.98186053 1.25384664 0.08327902 1.19603549 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2941-55-1 18055 144211674 A F Ethiolate CCN(CC)C(=O)SCC Tox21_301357 -NCGC00255645-01 196700599 tox21-ror-cho-viability-p1 set1 4 19.3311819617 6.8361522159 -0.8361522159 6 4.9549173134 0.5950170226 0.1023786967 -0.26241906 -4.86346018 -3.27167574 -0.00811419 0.0001054 -2.26853642 0.2358188 2.4081873 0.13641621 -2.37033088 0.53098049 0.81344105 1.72777235 7.78566886 3.99869153 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25211-86-3 12521030 144211688 A F Etidronic acid monohydrate O.CC(O)(P(O)(=O)O)P(=O)(O)O Tox21_301371 -NCGC00256211-01 196700600 tox21-ror-cho-viability-p1 set1 4 1.26254012 -0.73277673 -0.35162084 1.354116 1.05572351 -0.0475411 0.70506098 0.16733176 0.68699832 2.16923494 7.94097085 1.19405706 2.40257568 4.00289393 0.17713799 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7005-47-2 23435 144211833 Ac 2-(Dimethylamino)-2-methylpropan-1-ol CN(C)C(C)(C)CO Tox21_301516 -NCGC00255405-01 196700608 tox21-ror-cho-viability-p1 set1 4 24.3365162115 16.2848431079 -3.2848431079 13 0.7999999999 0.7503734908 0.0195566664 0.11427762 -4.34127122 -1.58313669 -3.28891037 -6.07070259 -1.55228889 -5.69928327 -0.94689047 -5.42351369 0.2096637 -0.40905482 4.43013047 0.37300889 6.81081561 9.33250389 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2052-15-5 16331 144212031 A A Butyl 4-oxopentanoate O=C(CCC(C)=O)OCCCC Tox21_301714 -NCGC00255269-01 196700615 tox21-ror-cho-viability-p1 set1 4 0.85707117 1.33739514 0.16717867 3.2299748 -0.89159414 1.34718275 0.30053916 0.63281084 -0.40135335 1.05297901 -2.11540608 -0.21645082 0.05364711 1.17050352 -0.60725013 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 83-43-2 6741 144212335 A A Methylprednisolone OCC(=O)[C@@]4(O)CC[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3C[C@H](C)C1=CC(=O)C=C[C@@]12C Tox21_302018 -NCGC00090686-07 196701014 tox21-ror-cho-viability-p1 set1 4 -0.19406716 -4.99622597 -1.95931194 -3.4905422 -6.61274769 0.32688679 0.06665306 -2.20577397 0.73574188 -1.18928419 -5.69181141 1.19297295 0.88930621 -3.33589523 -5.58924588 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00164358-03 196698148 tox21-ror-cho-viability-p1 set1 4 -3.59655445 -3.10447386 -0.18814148 -3.38796713 -2.02618803 -2.98786063 -1.29436004 0.93508452 1.28899068 -1.56320456 1.04513957 0.13108102 -3.24098094 -1.42989454 0.36406819 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-10-3 985 170465588 A Hexadecanoic acid O=C(O)CCCCCCCCCCCCCCC Tox21_112105_1 -NCGC00256599-01 196727267 tox21-ror-cho-viability-p1 set3 4 0.0015355304 -11.669528008 11 -0.669528008 4.0949729863 0.7210798432 0.0302576203 8.11459101 0.20854259 1.12557744 -0.2623709 -2.60014073 1.00528667 -1.23890459 0.33349414 -0.31089489 -2.4949813 -0.26445294 -3.89127334 -2.48207346 -0.98495508 0.27859394 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-74-9 7255 144213072 A A 3-Chloro-4-methylaniline Nc1cc(Cl)c(C)cc1 Tox21_302755 -NCGC00257462-01 196727255 tox21-ror-cho-viability-p1 set3 4 26.2770906511 -10.305996368 0 -10.305996368 2.7202212143 0.7023785857 0.0378138937 -0.61677261 -0.5121799 0.51737724 1.85079103 0.79422511 -2.81756388 -2.37787704 -1.10347731 1.32150373 0.66879761 -2.90965132 3.2621438 -0.27750088 -5.73250491 -9.42166364 7.7859999999E-10 1.7409999999E-9 3.893E-9 8.705E-9 1.947E-8 4.353E-8 9.733E-8 2.176E-7 4.8659999999E-7 0.000001088 0.000002433 0.0000054409999999 0.000012169999999 0.000027199999999 0.00006083 13473-26-2 83511 144213909 Fns D&C Red 27 Brc4c5Oc1c(Br)c(O)c(Br)cc1C3(OC(=O)c2c3c(Cl)c(Cl)c(Cl)c2Cl)c5cc(Br)c4O Tox21_303604 -NCGC00090760-08 196727259 tox21-ror-cho-viability-p1 set3 -3 60.7577547203 -44.360131888 1.5 -42.860131888 2.9022712143 0.9871439469 3.6E-9 1.77388168 0.59226122 1.52753817 2.78574408 -0.27158155 2.83090995 1.455325 2.00880853 2.40019947 0.38276069 1.43422768 -0.42429536 -0.9994136 -9.01557455 -32.38344324 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00163818-04 196727663 tox21-ror-cho-viability-p1 set3 4 0.0366609084 -19.4831743799 3.5 -15.9831743799 0.7999999999 0.7655969181 0.0200911535 3.64499177 -0.6817815 1.46937183 -2.15793121 -11.11392489 -2.31750571 -12.10196485 -13.43408815 -15.60006189 -15.05037052 -23.73597865 -9.73065221 -14.00741765 -14.39765667 -1.96750022 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.00009723 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00256727-01 196727665 tox21-ror-cho-viability-p1 set3 4 0.10592804 -0.56934876 -0.67533603 1.24998732 1.44831765 1.4888666 -0.56834739 1.70765787 0.13837692 0.16882646 0.74436938 2.62770794 0.38328905 1.49820639 0.66454297 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2398-37-0 16971 144212929 A Ac 1-Bromo-3-methoxybenzene COc1cc(Br)ccc1 Tox21_302612 -NCGC00257471-01 196727670 tox21-ror-cho-viability-p1 set3 4 -4.47049613 -0.70597955 1.22942156 1.85925344 2.12767127 -1.14764331 -5.33624269 -3.74615982 -5.08526255 -0.94626598 -4.3791092 -3.47047849 0.5359269 0.97419979 -2.57442402 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81-90-3 66494 144213949 A A Phenolphthalin Oc1ccc(cc1)C(c2ccccc2C(=O)O)c3ccc(O)cc3 Tox21_303646 -NCGC00016000-13 196727674 tox21-ror-cho-viability-p1 set3 -1.2 0.0991559439 -29.9542432136 1.7090287229 -28.2452144907 2.7202212143 0.727922947 0.0337965134 2.50826367 3.19735568 -1.76083281 1.50551312 0.09865434 -3.59989589 -21.06526286 -36.08350088 -29.69380214 -11.02535797 -10.76430378 -30.808963 -42.62206986 -37.69018728 -9.14259702 1.203E-9 2.6909999999E-9 6.0159999999E-9 1.345E-8 3.0079999999E-8 6.726E-8 1.504E-7 3.3629999999E-7 7.52E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.000094 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00256995-01 196727675 tox21-ror-cho-viability-p1 set3 4 -0.19237723 -8.51289624 1.2144954 0 -2.42052776 -8.34719652 0 -4.13575429 0 -0.46622369 -0.71185714 -2.23790386 -2.7600378 -2.64814786 4.9207745 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-32-7 7924 144213531 A Propylene carbonate O=C1OCC(C)O1 Tox21_303214 -NCGC00256025-01 196710799 tox21-ror-cho-viability-p1 set2 4 -2.67179928 -1.31507298 0.22154754 -1.22907799 -4.13041272 -0.49429925 0.19879255 0.5626726 0.08801655 -0.01764889 -0.08442585 -0.85635859 -1.33700999 -0.21614667 -1.24142921 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81-83-4 66491 144211902 A A 1H-Benzo[de]isoquinoline-1,3(2H)-dione O=C3NC(=O)c2cccc1cccc3c12 Tox21_301585 -NCGC00091253-05 196710387 tox21-ror-cho-viability-p1 set2 4 -6.51865506 -2.51466455 -5.08876066 2.32618116 -0.87162709 2.31975468 -3.67882298 0.21154997 -1.35233919 -5.60311323 -7.04411075 1.75633469 -0.35391483 1.50831878 0.02712348 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00163953-03 196710393 tox21-ror-cho-viability-p1 set2 -2.4 64.8164987557 -31.936064388 0.5 -31.436064388 2.9522712143 0.9332660956 0.0000401671 0.58633705 0.60094228 0.15610964 2.52535102 0.88856846 6.02815539 0.54442351 0.15085573 0.08179075 -0.03848963 -0.16372578 -1.23364187 -2.04777801 -5.96878516 -24.11338699 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00255379-01 196710790 tox21-ror-cho-viability-p1 set2 4 1.5355303643 -14.0534482319 7 -7.0534482319 0.2 0.690947408 0.0433998968 4.23258277 4.17357226 3.67728286 3.03010497 2.69690571 1.00982403 0.94605465 2.34654886 0.0389482 0.01843054 1.29271146 -1.66883742 -1.54234183 -6.71120686 0 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2122-86-3 16463 144212197 A C 5-(5-Nitro-2-furyl)-1,3,4-oxadiazole-2-ol Oc1nnc(o1)c2oc(cc2)[N+]([O-])=O Tox21_301880 -NCGC00090827-04 196710803 tox21-ror-cho-viability-p1 set2 4 -3.4702626 0.97444304 -0.14647687 0.71046845 -3.19449064 -0.09045579 -3.95694942 -3.63176038 0.04048909 -0.09050417 -0.12291889 1.01427665 2.21748341 1.10363629 -4.72962719 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00260446-01 196711206 tox21-ror-cho-viability-p1 set2 -2.4 43.2331187906 -34.756657736 1 -33.756657736 2.4063783767 0.9683698825 6.579E-7 1.5996202 2.67939271 1.32610151 1.53434812 -0.01760191 1.59986102 -0.86323706 1.44922127 2.25471186 0.14606476 -1.66280904 -1.41101808 0.10899347 -17.06281306 -28.54721478 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 2243-61-0 16719 144210098 F Fns 1,4-Naphthalenediamine Nc1ccc(N)c2ccccc12 Tox21_202900 -NCGC00257676-01 196711209 tox21-ror-cho-viability-p1 set2 4 -7.17743229 -3.78180979 -5.57376238 -2.43454555 -1.07849679 -9.13911947 -44.39635269 -9.52090968 -20.76409597 -18.13936504 0.50294342 -5.99326754 0 -2.42434749 -28.8661494 1.194E-9 2.671E-9 5.9709999999E-9 1.335E-8 2.986E-8 6.676E-8 1.493E-7 3.338E-7 7.464E-7 0.000001669 0.000003732 0.000008345 0.00001866 0.000041729999999 0.000093299999999 50-02-2 5743 144207320 A A Dexamethasone OCC(=O)[C@@]4(O)[C@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_200122 -NCGC00018221-08 196711220 tox21-ror-cho-viability-p1 set2 -2.4 77.8989325373 -34.937119972 -1 -35.937119972 4.9549173134 0.6982253423 0.0388770517 -6.4596696 -2.02965063 -3.24622401 -2.01467495 -1.69086317 1.60106201 -3.06498347 -0.39054003 1.09072604 4.01443668 4.15429785 5.77634665 -12.07389819 1.53356498 -28.28093331 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00256305-01 196710001 tox21-ror-cho-viability-p1 set2 4 2.4336516212 -6.4593300999 1.5 -4.9593300999 1.9673362061 0.4849426083 0.2102585471 3.6990138 2.55461931 0.62481859 2.64596842 -0.06574638 1.78227044 2.42833786 0.35730165 -1.06657016 0.16336901 -1.71200364 -7.41969369 -10.79944175 2.00001893 -1.32979692 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7575-23-7 82056 144211830 F 3-[(3-Sulfanylpropanoyl)oxy]-2,2-bis{[(3-sulfanylpropanoyl)oxy]methyl}propyl 3-sulfanylpropanoate SCCC(=O)OCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS Tox21_301513 -NCGC00255977-01 196709986 tox21-ror-cho-viability-p1 set2 4 7.21680688 -2.88260846 -1.39955104 -0.04288648 -1.59054363 -0.06307245 -0.31265738 1.18782392 -3.30709676 -3.48329741 0.06037034 2.83752285 1.20554006 2.41099788 3.83140063 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-66-2 8766 144212499 A Ac Diphenyl sulfide c1ccccc1Sc2ccccc2 Tox21_302182 -NCGC00255980-01 196709988 tox21-ror-cho-viability-p1 set2 4 54.2057602633 -15.526822096 -0.5 -16.026822096 2.0478617061 0.8339712239 0.0036434856 3.65960165 -0.47130796 -0.24394686 -1.39950635 -1.35855125 -1.56025229 0.3157748 -1.87264097 -1.50466357 -0.97014481 -1.97111603 0.47284188 -2.68562736 -5.77806104 -12.10568508 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.938E-8 6.568E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.000041049999999 0.0000918 1918-18-9 15969 144211652 A A Swep Clc1ccc(NC(=O)OC)cc1Cl Tox21_301335 -NCGC00257617-01 196702316 tox21-ror-cho-viability-p1 set1 4 0.0245098618 -9.095810476 -2 -11.095810476 1.826479391 0.5894008247 0.1051925486 -7.47222558 3.0252407 -5.01719715 -2.4445309 -8.30157556 -8.79117232 -14.24650873 -11.26913515 -5.51557616 -11.49790414 -12.3666398 -13.74212857 -12.93981755 -11.81976868 -8.61627888 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.4829999999E-7 3.317E-7 7.417E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.00004146 0.000092709999999 4454-05-1 91538 144207261 AC 2-Methoxy-3,4-dihydro-2H-pyran COC1CCC=CO1 Tox21_200063 -NCGC00258543-01 196701915 tox21-ror-cho-viability-p1 set1 4 0.4776871694 -16.2725678959 -1.5 -17.7725678959 0.3 0.7939886201 0.0091076794 0.09970057 -7.26162507 -7.43177079 -5.74738772 -6.88097774 -5.77242373 -7.04353859 -9.25414197 -8.71631562 -12.68572788 -12.93165549 -11.09788633 -16.89380658 -13.79925539 -14.08904875 1.164E-9 2.6039999999E-9 5.822E-9 1.302E-8 2.911E-8 6.509E-8 1.456E-7 3.255E-7 7.2779999999E-7 0.0000016269999999 0.000003639 0.000008137 0.00001819 0.00004068 0.000090969999999 1679-64-7 15513 144208188 FNS 1,4-Benzenedicarboxylic acid, monomethyl ester COC(=O)c1ccc(cc1)C(=O)O Tox21_200990 -NCGC00257964-01 196701917 tox21-ror-cho-viability-p1 set1 4 0.0223533411 -7.652196296 2.5 -5.152196296 4.9549173134 0.3693287714 0.3177645248 0.510789 5.50105176 -3.59879113 8.56955834 -8.63611045 -2.66199867 -6.7961184 -7.60400813 -0.44372688 -10.96016358 0.94418591 -5.50711365 -10.6846589 -0.20080326 7.62763256 1.21E-9 2.7049999999E-9 6.048E-9 1.352E-8 3.024E-8 6.7619999999E-8 1.512E-7 3.381E-7 7.561E-7 0.000001691 0.00000378 0.0000084529999999 0.0000189 0.00004226 0.00009451 74-95-3 3024 144207608 FC Dibromomethane BrCBr Tox21_200410 -NCGC00258610-01 196702313 tox21-ror-cho-viability-p1 set1 4 78.6052600652 -11.4405626759 -1 -12.4405626759 4.9549173134 0.4317869345 0.2441012254 -4.4320529 -1.62227619 -5.57476311 4.11334819 0.19723727 -2.12922628 2.5164584 -2.07515187 -3.8305875 -1.23312332 -0.0540392 -0.33700028 0.54572852 -0.30063983 -9.53380223 1.2009999999E-9 2.6849999999E-9 6.0029999999E-9 1.3419999999E-8 3.002E-8 6.712E-8 1.501E-7 3.356E-7 7.5039999999E-7 0.0000016779999999 0.0000037519999999 0.00000839 0.00001876 0.00004195 0.000093799999999 203-64-5 9147 144208255 A Ac 4H-Cyclopenta(def)phenanthrene c1cc2cccc3Cc4cccc1c4c23 Tox21_201057 -NCGC00257690-01 196702319 tox21-ror-cho-viability-p1 set1 4 -0.28017657 2.73257215 -0.78002529 -0.19525369 -0.30975853 2.38873495 1.5462043 -2.0922932 -0.17794636 1.22268868 3.59517544 2.16202345 3.16270664 2.62189045 0.51778566 1.1739999999E-9 2.625E-9 5.87E-9 1.3129999999E-8 2.9349999999E-8 6.5629999999E-8 1.468E-7 3.282E-7 7.338E-7 0.000001641 0.000003669 0.000008204 0.00001834 0.00004102 0.00009172 104-88-1 7726 144207334 A A 4-Chlorobenzaldehyde O=Cc1ccc(Cl)cc1 Tox21_200136 -NCGC00257880-01 196702324 tox21-ror-cho-viability-p1 set1 4 8.6085846732 -24.823091844 -4.021902616 -28.84499446 0.4 0.6096495488 0.0900657217 -2.01177 -4.31602907 -9.61983449 -0.01825218 -9.50325739 -11.71410934 -9.56175829 -10.57932177 -0.79176114 -12.43214181 -17.18216695 -11.73900345 -26.95416205 -19.60507259 -18.79425072 1.177E-9 2.631E-9 5.884E-9 1.316E-8 2.942E-8 6.578E-8 1.471E-7 3.289E-7 7.354E-7 0.000001645 0.0000036769999999 0.000008223 0.00001839 0.00004111 0.00009193 538-74-9 10867 144207524 A A Benzyl sulfide C(SCc1ccccc1)c2ccccc2 Tox21_200326 -NCGC00258289-01 196702330 tox21-ror-cho-viability-p1 set1 4 0.68167209 -12.61198537 0.4286466 3.6517971 1.47379057 -10.30371499 -2.03948455 2.62694619 2.87969288 -0.28859839 2.12019616 1.18463208 1.74923855 -0.89773064 2.76962787 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.679E-8 1.493E-7 3.3389999999E-7 7.467E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004174 0.00009334 304680-35-1 2734175 144207933 A A 1-Hexyl-3-methylimidazolium hexafluorophosphate F[P-](F)(F)(F)(F)F.C[n+]1ccn(CCCCCC)c1 Tox21_200735 -NCGC00258651-01 196702731 tox21-ror-cho-viability-p1 set1 4 1.06088005 3.04132772 0.26319229 2.96927681 1.3717838 -5.11385178 2.17515173 5.88606976 5.9149296 -0.08668331 2.63204556 -5.14168357 -0.05598999 -2.35980494 3.74934476 1.3159999999E-9 2.942E-9 6.5779999999E-9 1.471E-8 3.289E-8 7.355E-8 1.645E-7 3.677E-7 8.2229999999E-7 0.0000018389999999 0.000004112 0.000009194 0.000020559999999 0.000045969999999 0.00010279999999 25155-23-1 33133 144208297 A C TXP Cc1cc(cc(C)c1)OP(=O)(Oc2cc(C)cc(C)c2)Oc3cc(C)cc(C)c3 Tox21_201099 -NCGC00255529-01 196701098 tox21-ror-cho-viability-p1 set1 4 2.95979572 1.19799147 0.14730485 -0.35450006 0.82306887 1.05176749 -0.83005451 0.6880656 0.95328343 -0.17168291 0.19093466 0.21967884 -0.89237354 0.67912844 -6.96218602 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 605-45-8 11799 144211829 A A Diisopropyl phthalate CC(C)OC(=O)c1ccccc1C(=O)OC(C)C Tox21_301512 -NCGC00255711-01 196700693 tox21-ror-cho-viability-p1 set1 4 -0.50420243 -0.71466001 1.11295201 1.58180678 -1.60251022 -3.46277835 -1.54191607 -2.89640731 -0.57788211 -3.17094942 0.70785223 -1.42890697 -3.19114678 -0.29663985 -1.00585132 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2597-03-7 17435 144211881 Bc Fc Phenthoate O=C(OCC)C(SP(=S)(OC)OC)c1ccccc1 Tox21_301564 -NCGC00255769-01 196701092 tox21-ror-cho-viability-p1 set1 4 -11.31890466 -3.24146419 -3.53164892 -14.77924837 -17.28158732 -12.71669482 -14.26087764 -4.61269468 -12.68445658 -13.01828855 -4.74465064 -22.55665342 -18.82581002 -19.6045932 -13.00852133 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 350-03-8 9589 144212436 A Fns 3-Acetylpyridine CC(=O)c1cccnc1 Tox21_302119 -NCGC00091009-05 196701095 tox21-ror-cho-viability-p1 set1 4 0.1796407 0.22924051 -0.19706668 1.5193498 6.10836837 7.20050304 6.58853877 -3.46474494 5.67249446 -1.07788398 1.64445373 0.49973134 0.18633507 -0.59765291 -1.21199344 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00258685-01 196701860 tox21-ror-cho-viability-p1 set1 4 3.38976561 3.86763308 -1.68151991 0.69433406 4.17841765 4.25601071 1.02630394 3.63389043 -0.64673534 1.9164986 5.00124122 0.86566541 3.13325061 -0.81288635 -2.06612551 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.000018359999999 0.000041049999999 0.000091779999999 149-44-0 23689980 144208331 AC Ac Sodium hydroxymethanesulfinate [Na+].[O-]S(=O)CO Tox21_201133 -NCGC00163815-04 196701850 tox21-ror-cho-viability-p1 set1 -2.2 36.6609083917 -37.9021403415 -2.035728167 -39.9378685085 1.331 0.7504147194 0.0193251781 3.52579424 1.4381053 3.19006785 -17.68619293 5.32406368 2.19411343 -4.47390714 -5.91346948 -1.08167159 -3.58258668 -5.65129563 -7.48490768 -13.96071464 -20.88659812 -35.03321799 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00258775-01 196702264 tox21-ror-cho-viability-p1 set1 4 42.6617101382 12.615491632 -0.615491632 12 2.2526478767 0.6634032951 0.0570788282 1.92104479 -3.39605625 0.13788238 -1.21006145 -3.67536524 0.14205591 -1.83010653 -1.23414136 -4.67957636 1.95565312 3.80526439 0.1181614 -0.08518434 5.66433722 10.2700422 1.166E-9 2.606E-9 5.8279999999E-9 1.303E-8 2.9139999999E-8 6.516E-8 1.457E-7 3.2579999999E-7 7.285E-7 0.000001629 0.0000036429999999 0.0000081449999999 0.00001821 0.00004073 0.00009106 108-90-7 7964 144208421 FC Chlorobenzene Clc1ccccc1 Tox21_201223 -NCGC00258574-01 196702268 tox21-ror-cho-viability-p1 set1 4 2.1107991 0.95730265 -13.21250045 -6.41129802 -5.39403198 0.65489702 0.26073071 0.63238515 -4.87710448 -6.51477943 -6.75067267 -3.36500982 -11.38046542 -2.57236247 6.27331734 1.1989999999E-9 2.6819999999E-9 5.9959999999E-9 1.3409999999E-8 2.998E-8 6.704E-8 1.4989999999E-7 3.352E-7 7.495E-7 0.000001676 0.000003748 0.00000838 0.000018739999999 0.000041899999999 0.000093689999999 142-30-3 8883 144208219 A A 2,5-Dimethyl-3-hexyne-2,5-diol CC(O)(C)C#CC(C)(C)O Tox21_201021 -NCGC00258546-01 196702680 tox21-ror-cho-viability-p1 set1 -2.2 34.271392867 -31.1598726316 -5.94180236 -37.1016749916 1.8851180601 0.9362895158 0.0000312799 -5.53932167 -7.55166275 -6.72873682 -5.9082866 -10.54038617 -4.69492091 -4.41223909 -2.83576146 -2.0348353 -5.12883598 -7.09556879 -10.65809467 -11.62752625 -24.18650956 -34.35340277 1.177E-9 2.6319999999E-9 5.886E-9 1.316E-8 2.943E-8 6.5809999999E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.000003679 0.000008226 0.00001839 0.00004113 0.000091969999999 131-53-3 8569 144208191 A A 2,2'-Dihydroxy-4-methoxybenzophenone O=C(c1ccc(cc1O)OC)c2ccccc2O Tox21_200993 -NCGC00257575-01 196702681 tox21-ror-cho-viability-p1 set1 4 21.9549021827 10.178418224 -3.678418224 6.5 4.9549173134 0.3962484129 0.2757297502 0.5982087 -10.28484354 -8.77211288 0.3651439 0.08019488 -6.59232657 -5.87348216 -0.24344925 -0.11664164 -1.97420388 -0.07811236 -14.31534852 0.0786891 6.23152102 6.65097647 1.1919999999E-9 2.6649999999E-9 5.959E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.331E-7 7.449E-7 0.0000016659999999 0.000003725 0.0000083279999999 0.00001862 0.00004164 0.00009312 3682-19-7 3543259 144207219 A A 6-Nitrophthalhydrazide [O-][N+](=O)c1ccc2c(c1)C(=O)NNC2=O Tox21_200021 -NCGC00258472-01 196702683 tox21-ror-cho-viability-p1 set1 4 1.02951943 0.88279916 1.00676018 9.88719193 -4.3879311 0.06556359 -2.04486317 1.08508136 8.27494747 5.131621 -1.56600265 8.79665736 -12.16316392 0.29682637 0.2221332 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.593E-8 1.474E-7 3.297E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009214 328-50-7 51 144208116 A Fc alpha-Ketoglutaric acid OC(=O)C(=O)CCC(=O)O Tox21_200918 -NCGC00259570-01 196703094 tox21-ror-cho-viability-p1 set1 -3 69.3576091162 -51.838792744 0.0776878499 -51.7611048941 4.9549173134 0.9648450293 0.0000011917 1.95240333 0.34227221 -3.11321142 -3.5123354 0.72474856 -2.54300357 -0.84502446 -0.62894423 1.90671467 0.74410672 -2.1411866 1.17508786 0.78758185 -0.10404513 -42.27071817 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.977E-8 6.656E-8 1.4879999999E-7 3.3279999999E-7 7.441E-7 0.0000016639999999 0.000003721 0.00000832 0.0000186 0.0000416 0.000093019999999 396-01-0 5546 144209219 A A Triamterene Nc2nc(N)nc1nc(N)c(nc12)c3ccccc3 Tox21_202021 -NCGC00255091-01 196699789 tox21-ror-cho-viability-p1 set1 4 2.45174059 2.19151426 1.99816631 0.87678242 -2.59992875 -5.0765862 2.31861517 1.10357215 -2.96874935 -0.06215816 -5.02400321 -0.83524752 -3.27234193 -1.06619098 -0.89493324 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 79241-46-6 3033674 144211510 A A Fluazifop-P-butyl O=C(OCCCC)[C@@H](C)Oc1ccc(cc1)Oc2ccc(cn2)C(F)(F)F Tox21_301193 -NCGC00253929-01 196699380 tox21-ror-cho-viability-p1 set1 4 0.0010870722 13.209904512 -12.209904512 1 0.3 0.4905449798 0.1901214622 -8.50825376 -2.45455752 -2.42316214 -3.44655333 -1.61287177 -2.19764026 0.18303862 -4.96569072 -0.1013482 -1.19636586 -2.38658997 4.25015127 1.03675595 0.24062492 -0.15886406 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 186392-65-4 6451325 144210526 A A Ingliforib O[C@H]1CN(C[C@H]1O)C(=O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)c3cc4cc(Cl)ccc4n3 Tox21_300206 -NCGC00254298-01 196699390 tox21-ror-cho-viability-p1 set1 4 27.3060203028 -13.5675743879 -1 -14.5675743879 4.9549173134 0.5265418134 0.172224481 1.95454793 0.44361682 0.19002923 2.7499 -0.48586361 -8.30624626 0.34750186 -7.88286253 -0.29408279 -1.97973263 0.80365562 0.47306356 -2.66126848 -13.80631199 -1.96634038 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47299 60196413 144210779 A A CP-422935 CS(=O)(=O)O.CCOc1cccc(c1)[C@@]2(CC[C@@H](C)CC2)N3CCN(CC3)c4ccccc4 Tox21_300461 -NCGC00254578-01 196699396 tox21-ror-cho-viability-p1 set1 4 0.0017228934 11.27849786 -8.27849786 3 1.24751 0.4604281619 0.2176604042 -5.23208155 0.86520041 -0.20082643 0.85062324 4.80198708 3.89959447 -1.66971562 1.40462747 1.47006622 2.55801397 2.75367027 3.64954322 2.79642433 2.16687466 8.28333945 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-70-5 7617 144210987 FC Triallylamine C=CCN(CC=C)CC=C Tox21_300670 -NCGC00256287-01 196728924 tox21-ror-cho-viability-p1 set3 4 24.3365162115 19.45602872 -8.45602872 11 4.9549173134 0.5476083694 0.1372249175 1.42564248 -0.38714575 -17.0466906 -8.23953147 -13.1103276 -11.72294873 -4.86936607 -13.18540454 1.67406777 -13.77561201 -11.57899609 -6.84754511 -7.5123641 14.91935291 6.90306532 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2785-89-9 62465 144212625 A F 4-Ethyl-2-methoxyphenol Oc1ccc(cc1OC)CC Tox21_302308 -NCGC00091663-03 196728519 tox21-ror-cho-viability-p1 set3 4 2.20825458 -3.755269 -0.31062239 -2.16735998 -1.90026792 1.07949632 3.57600999 0.33016778 0.0706788 -0.18012048 1.37406313 -2.3557872 1.37183147 0.33306942 -5.5577939 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00257534-01 196728916 tox21-ror-cho-viability-p1 set3 4 -2.90232974 3.91893616 -3.65839605 6.4450098 0.46060577 -1.07317386 -0.77152547 6.41070787 -0.99455547 0.86093649 7.06557972 -6.52640908 -3.73212412 -3.41255166 1.89769518 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-63-7 31264 144211616 Fns Paraldehyde CC1OC(C)OC(C)O1 Tox21_301299 -NCGC00091146-04 196728915 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -15.6158268599 1 -14.6158268599 3.6772481694 0.5442036587 0.1414038597 -2.14882242 -5.4272383 0.08925279 -0.02500018 0.52064583 -0.69592881 4.6065951 5.14360845 2.91667239 4.19006088 0.83390199 0.41498056 0.22416247 -0.89358179 -10.51318905 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00255286-01 196728927 tox21-ror-cho-viability-p1 set3 4 0.7695882154 -10.783621812 1 -9.783621812 4.0949729863 0.4519722034 0.2222466898 -4.03937276 3.29429315 0.31832911 -0.28954366 0.37514718 0.06946903 4.66425862 3.63876083 -4.69497884 -4.85499398 -27.73635151 -9.48137076 -5.13716485 -4.22742259 -5.90628204 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55512-33-9 41463 144211564 D Pyridate O=C(SCCCCCCCC)Oc2cc(Cl)nnc2c1ccccc1 Tox21_301247 -NCGC00256280-01 196728934 tox21-ror-cho-viability-p1 set3 4 0.5448267328 7.126863928 -2.626863928 4.5 4.9549173134 0.4961148421 0.1824514508 4.70819912 -10.10571994 2.34941405 -1.5365623 -7.49318479 -3.61292008 -3.52054681 -2.30117386 3.7361393 4.59038867 1.25751617 4.72151827 6.35774567 5.98372746 2.7652238 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5117-12-4 98723 144211975 A A 1-(Morpholin-4-yl)prop-2-en-1-one O=C(C=C)N1CCOCC1 Tox21_301658 -NCGC00258286-01 196729329 tox21-ror-cho-viability-p1 set3 4 8.5121302531 10.120883684 -3.120883684 7 0.4 0.6966725438 0.0405664537 -3.71728681 -2.46583559 -1.45816811 -4.26193487 0.80410638 -5.51740307 -2.18457146 0.37755342 -0.14665973 0.76517067 1.18584399 2.95230237 1.25130548 2.08568155 5.66427856 1.166E-9 2.6069999999E-9 5.83E-9 1.304E-8 2.9149999999E-8 6.518E-8 1.457E-7 3.259E-7 7.287E-7 0.0000016299999999 0.0000036439999999 0.0000081479999999 0.00001822 0.00004074 0.00009109 16712-64-4 85557 144207930 A A 6-Hydroxy-2-naphthoic acid O=C(O)c1ccc2cc(O)ccc2c1 Tox21_200732 -NCGC00258742-01 196729333 tox21-ror-cho-viability-p1 set3 4 -3.10321596 -4.39644189 -1.4650938 -4.20428646 -3.54195799 -5.12758742 0.16664128 -2.04447137 -3.56379628 -1.73215061 -3.82476868 -3.6451121 1.63545232 2.1885761 3.58896841 1.177E-9 2.6319999999E-9 5.8849999999E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.0000036779999999 0.000008225 0.00001839 0.00004113 0.00009196 75-69-4 6389 144208388 Trichlorofluoromethane ClC(Cl)(Cl)F Tox21_201190 -NCGC00015983-04 196725252 tox21-ror-cho-viability-p1 set3 4 3.81091914 -0.08920124 3.11737296 0.1324113 2.77430863 3.97256447 0.25806665 1.18025276 1.56441236 6.59733249 2.08066919 3.21066084 -0.66167973 -1.50552956 -1.60821776 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2062-77-3 11647992 170466426 A Trifluperidol hydrochloride Cl.FC(F)(F)c1cccc(c1)C3(O)CCN(CCCC(=O)c2ccc(F)cc2)CC3 Tox21_111284_1 -NCGC00016281-11 196725241 tox21-ror-cho-viability-p1 set3 4 0 0 -8.32087177 -5.76985995 5.1698741 2.26511726 5.08552056 -15.89839264 0.06069929 6.0980001 4.82211703 5.1519293 -0.49345769 0.82251746 -10.82889802 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62-44-2 4754 170465554 A Phenacetin CCOc1ccc(cc1)NC(C)=O Tox21_110347_1 -NCGC00091205-03 196725245 tox21-ror-cho-viability-p1 set3 4 3.6416827117 6.222781672 -6.222781672 0 4.9549173134 0.4337649399 0.2407971651 -5.23878205 0.27990681 -10.60231806 -7.30412078 -8.85524215 -4.58933595 -8.14936903 -6.39003218 -5.9599439 -5.88890419 -6.20295789 0.94573033 5.93499231 -5.7831225 -0.95783643 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00015908-09 196725249 tox21-ror-cho-viability-p1 set3 4 0 -13.63993178 -4.18084901 4.26221557 -7.15447634 -7.57133861 1.80612886 -4.07558773 -2.05940808 -0.17242857 -4.55077688 -7.72068956 -1.78398008 1.20355125 -4.04202142 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1054-88-2 5268 170466264 A Spiroxatrine O=C5NCN(c1ccccc1)C25CCN(CC2)CC3COc4ccccc4O3 Tox21_110260_1 -NCGC00015715-08 196725254 tox21-ror-cho-viability-p1 set3 4 0 1.04935764 -3.01733319 -3.69911999 -6.88857247 -1.33377365 -2.87612283 -0.47328885 -3.4749958 -7.69528559 -3.49045302 -4.18767779 -2.04456269 -3.72541238 1.11559153 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53179-07-0 4500 170466483 A Nisoxetine COc2ccccc2OC(CCNC)c1ccccc1 Tox21_110203_1 -NCGC00260147-01 196711664 tox21-ror-cho-viability-p1 set2 4 5.22286143 3.18604758 5.15541823 -2.64432822 -1.6851922 3.03778244 -1.58698081 2.54798812 -0.87625097 4.17626434 2.56395269 0.79256153 2.38564843 6.66370904 10.85764152 1.1689999999E-9 2.615E-9 5.8469999999E-9 1.3069999999E-8 2.9239999999E-8 6.537E-8 1.462E-7 3.269E-7 7.309E-7 0.0000016339999999 0.0000036549999999 0.000008172 0.00001827 0.00004086 0.000091359999999 7772-99-8 5284466 144209797 Tin(II) chloride [Sn+2].[Cl-].[Cl-] Tox21_202599 -NCGC00160670-03 196712466 tox21-ror-cho-viability-p1 set2 4 2.73091592 1.88905796 0.39013053 2.37414466 2.40048568 6.09713167 2.47428544 0.20303656 0.04350721 0.09641232 0.05159533 -1.46541777 -2.26662984 -3.42131824 -1.8875636 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15574-49-9 616236 170466217 A Mecarbinate O=C(OCC)c2c1cc(O)ccc1n(C)c2C Tox21_111974_1 -NCGC00163160-04 196712472 tox21-ror-cho-viability-p1 set2 4 14.9600854925 14.6211694759 -3.6211694759 11 0.5 0.8403305845 0.0030625514 -3.88041159 -2.77756964 -3.19807336 -5.51764123 -4.38349781 -1.12065207 -3.78882813 -1.13994159 -0.06130781 -0.44091616 -0.36756561 2.15734852 0.28790126 3.73702171 7.55477997 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 101626-70-4 5374 170466015 Z Talipexole C=CCN1CCc2sc(N)nc2CC1 Tox21_112020_1 -NCGC00356978-01 196712080 tox21-ror-cho-viability-p1 set2 -1.4 0.4327712569 -32.2845606196 -4.073824588 -36.3583852076 4.9549173134 0.9571749072 0.1736550521 -9.12308648 -3.0154521 -3.72435406 -5.44955698 -3.98981828 -5.28426059 -1.31152049 -7.63154982 -40.14665297 -8.98087579 -22.14859366 -33.53057461 -34.77051049 -18.35741285 -19.20598251 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2051-62-9 16323 251919750 A 4-Chlorobiphenyl Clc1ccc(cc1)c2ccccc2 Tox21_303788 -NCGC00357105-01 196711670 tox21-ror-cho-viability-p1 set2 4 1.9331181962 -6.8265949239 -1.012419268 -7.8390141919 4.9549173134 0.5668933358 0.1226668112 -0.86279447 -2.86477368 -0.64404933 -1.36346103 -0.5242353 -0.01034939 -0.85834208 -1.32535184 -1.75645825 -2.02454319 -10.46244563 -0.85942695 -14.86584516 -7.71724261 -6.11080021 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 874-60-2 13405 251919963 p-Toluoyl chloride Cc1ccc(cc1)C(=O)Cl Tox21_303832 -NCGC00260152-01 196712069 tox21-ror-cho-viability-p1 set2 4 -2.23409267 -2.07867627 -6.821033 -21.67619179 -6.41591234 -19.60544136 -27.59413173 0 0 0 -10.47655142 0 -8.83726367 -26.50921537 -16.89091935 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.00001842 0.0000412 0.00009212 129453-61-8 104741 144209802 F A Fulvestrant FC(F)(F)C(F)(F)CCCS(=O)CCCCCCCCC[C@@H]2Cc1cc(O)ccc1[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@H]23 Tox21_202604 -NCGC00249890-01 196712485 tox21-ror-cho-viability-p1 set2 4 -0.44090371 1.90092729 -0.37006898 -0.45552226 -3.57553967 -3.43838043 -2.90829444 -5.586396 2.52641635 -5.16420284 -0.76605248 -4.83385869 -3.36257768 -1.21815817 2.35695384 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64-55-1 6151 170465233 A A Mebutamate O=C(N)OCC(C)(COC(=O)N)C(C)CC Tox21_113666 -NCGC00160681-03 196712493 tox21-ror-cho-viability-p1 set2 4 -4.18936818 -6.04994305 -3.10329624 -0.43012851 -0.26970134 -2.79169667 -2.82490881 -3.65853771 -2.57344377 -3.02812384 0.7598486 2.02192392 0.57850543 0.04341291 3.66245057 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-12-2 7174 170466186 A Risocaine Nc1ccc(cc1)C(=O)OCCC Tox21_111984_1 -NCGC00024494-02 196712897 tox21-ror-cho-viability-p1 set2 4 5.9557173066 -11.616120916 0.5 -11.116120916 2.7202212143 0.8487697411 0.0036667441 2.31912398 1.25442773 -1.3101209 -0.69109963 -0.00103035 3.58167926 0.09249348 -1.22869166 1.05903019 -0.83220278 -1.62917331 -1.14466437 -9.30928151 -10.09676743 -3.24429371 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 338-69-2 71080 170465038 Z D-Alanine C[C@@H](N)C(=O)O Tox21_110903_1 -NCGC00016513-05 196712907 tox21-ror-cho-viability-p1 set2 4 -0.68286963 -2.95120537 -0.59119546 -1.40584243 -0.25020423 -0.92063521 -3.80234199 0.11322444 -0.97599971 -1.84563951 -1.50616503 0.09254427 -3.54538079 -1.83401533 -5.01717723 5.899E-11 1.319E-10 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 581-88-4 11391 170466238 Z Debrisoquin sulfate O=S(=O)(O)O.N=C(N)N1Cc2ccccc2CC1.N=C(N)N1Cc2ccccc2CC1 Tox21_110468_1 -NCGC00274081-01 196712912 tox21-ror-cho-viability-p1 set2 4 3.82854995 2.6094255 -0.25275138 -0.80832309 0.99710818 -1.8836222 -0.47839564 -0.947365 -4.84666039 -2.42445764 -1.86662241 -2.2501066 0.49158775 -4.96122402 -2.55584254 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33996-33-7 65784 170466355 A Oxaceprol O[C@@H]1C[C@@H](C(=O)O)N(C1)C(=O)C Tox21_112152_1 -NCGC00015242-13 196712915 tox21-ror-cho-viability-p1 set2 4 0.79354617 0.46196006 1.06829671 -4.09190489 -0.99516779 0.0483376 -0.11725413 -0.29069471 -4.78777443 0.26970677 -0.24602887 3.83768855 0.97246921 3.62292928 1.03200427 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-94-6 2720 170465303 A Chlorothiazide NS(=O)(=O)c2cc1c(N=CNS1(=O)=O)cc2Cl Tox21_110107_1 -NCGC00024504-09 196713311 tox21-ror-cho-viability-p1 set2 4 -0.42859586 -5.70617305 -1.67459693 0.58249694 -1.39870297 -0.68352477 -0.52990762 0.28875352 -0.28192729 -0.20260016 -0.11543387 2.40947579 0.83548015 0.39349774 3.24827989 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 487-79-6 10255 170465818 A Kainic acid CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O Tox21_110905_1 -NCGC00249892-01 196713315 tox21-ror-cho-viability-p1 set2 4 2.34979977 1.67609018 0.37082295 -0.30095898 -4.72183999 -2.77491536 -1.25231811 -4.04940755 -3.63553831 -3.60008358 -5.49354591 -0.36672585 1.28168264 -5.58802563 2.36200356 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 313348-27-5 219024 170465244 A A Lexiscan CNC(=O)c1cn(nc1)c2nc(N)c3ncn(c3n2)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O Tox21_113668 -NCGC00357070-01 196703184 tox21-ror-cho-viability-p1 set1 4 -2.0547871 -12.18567344 -3.71219526 -6.36520136 -1.66359021 -7.5981404 -10.34567518 -2.53910051 -10.99268874 -4.5477924 -4.20265086 -7.04925752 -5.77563322 -6.66634884 0.14991137 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-58-1 7818 251919846 Fns 1,4-Dimethylpiperazine CN1CCN(C)CC1 Tox21_303778 -NCGC00095016-05 196704407 tox21-ror-cho-viability-p1 set1 -2.1 23.7101376556 -97.8345253195 -0.924400859 -98.7589261785 3.1319983358 0.9902893403 7E-10 -1.93714739 -0.32669114 1.36201338 -4.61894801 -1.88807243 -1.68209001 -5.63684154 1.69176907 0.23115183 0.98211406 0.08108584 -2.40605429 -1.57658225 -40.82067644 -87.55223952 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 37693-01-9 2799 170466615 A Clofoctol Clc2cc(Cl)ccc2Cc1cc(ccc1O)C(C)(C)CC(C)(C)C Tox21_111389_1 -NCGC00260427-01 196704014 tox21-ror-cho-viability-p1 set1 4 -1.21948773 0.70345584 -8.77742733 1.9338653 -0.97328307 0.87867276 3.15759244 -0.46409731 1.64522373 2.79427029 0.86321448 -12.28453236 0.26673844 0.88163931 1.15944938 1.19E-9 2.661E-9 5.951E-9 1.331E-8 2.976E-8 6.654E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.000003719 0.000008317 0.0000186 0.00004158 0.000092989999999 96-27-5 7291 144210079 F A 1-Thioglycerol OCC(O)CS Tox21_202881 -NCGC00260414-01 196703593 tox21-ror-cho-viability-p1 set1 4 78.8409383265 -20.067615424 -1 -21.067615424 1.0999999999 0.5906348798 0.1044367767 -0.09223082 -4.20125762 -0.64929618 1.37119918 0.14247742 0.24709564 -1.60561903 -0.65256141 0.14203567 -3.74484691 -2.88377249 -4.1921297 -7.86403981 -0.50377034 -15.88967952 1.204E-9 2.6909999999E-9 6.018E-9 1.346E-8 3.009E-8 6.729E-8 1.5049999999E-7 3.3639999999E-7 7.523E-7 0.000001682 0.000003761 0.000008411 0.000018809999999 0.000042049999999 0.00009404 7447-39-4 169664 144210066 Copper(II) chloride [Cu+2].[Cl-].[Cl-] Tox21_202868 -NCGC00260094-01 196703606 tox21-ror-cho-viability-p1 set1 4 2.86287255 2.40171178 -1.41818032 1.71376505 2.75557821 -1.83394528 5.04105899 1.7791222 0.93848174 0.11456981 4.88902584 3.28625699 0.59578027 1.26544728 0.57101546 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.5809999999E-8 1.472E-7 3.291E-7 7.358E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.00004113 0.00009198 482-89-3 5318432 144209743 F F Indigo O=C3c4ccccc4N/C3=C2/Nc1ccccc1C2=O Tox21_202545 -NCGC00260202-01 196704017 tox21-ror-cho-viability-p1 set1 4 -6.66434258 -0.68209006 1.31282868 -5.09987411 -0.08748537 -0.53775532 2.45204212 1.06187919 7.59576759 -5.2641393 0.47490645 1.06519301 0.00266452 1.54618781 0.59964474 1.188E-9 2.657E-9 5.942E-9 1.3289999999E-8 2.971E-8 6.6429999999E-8 1.4849999999E-7 3.321E-7 7.427E-7 0.0000016609999999 0.000003714 0.000008304 0.00001857 0.00004152 0.00009284 119171-18-5 12971008 144209852 A A 1-Methyl-3-propylimidazolium iodide [I-].C[n+]1ccn(CCC)c1 Tox21_202654 -NCGC00260163-01 196704024 tox21-ror-cho-viability-p1 set1 4 0.66535691 -2.16645264 0.5896739 4.01723452 -0.15888102 1.72653231 1.37429176 -0.4934564 7.17442923 1.50754591 -0.46081034 0.47755699 1.97473972 0.7922932 4.85029512 1.187E-9 2.6549999999E-9 5.937E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 20445-94-7 60196373 144209813 A A Ethyltributylphosphonium diethylphosphate [O-]P(=O)(OCC)OCC.CC[P+](CCCC)(CCCC)CCCC Tox21_202615 -NCGC00164139-03 196704424 tox21-ror-cho-viability-p1 set1 4 -2.03119385 -4.0457151 -2.30644192 -1.45222622 3.29654257 2.50900886 1.61336077 -7.92595031 0.36827126 -0.61101348 1.16847563 1.41100667 1.42816121 -1.18429289 1.24502164 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3147-75-9 62485 170466580 F Octrizole CC(C)(C)CC(C)(C)c1cc(c(O)cc1)n2nc3ccccc3n2 Tox21_112086_1 -NCGC00166056-02 196704426 tox21-ror-cho-viability-p1 set1 4 -1.06183175 1.20523821 1.50067418 0.99955643 -1.05040369 0.20340902 0.29846405 -0.86611769 -1.06123794 -1.09173169 -0.29565905 -0.37371984 3.62235597 1.62767712 1.16838524 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 614-18-6 69188 170466863 A Ethyl nicotinate O=C(OCC)c1cccnc1 Tox21_112299_1 -NCGC00166213-02 196704837 tox21-ror-cho-viability-p1 set1 4 1.0624555 -0.79728858 1.46978469 -0.89225528 0.83716707 2.12646105 0.32734527 1.03220735 -0.75738775 -0.11408251 -6.04937707 0.9880195 1.29975436 0.77804965 3.57924471 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5333-42-6 21414 170465533 F 2-Octyl-1-dodecanol CCCCCCCCC(CCCCCCCCCC)CO Tox21_112351_1 -NCGC00186465-04 196704841 tox21-ror-cho-viability-p1 set1 -2.2 29.8492948118 -61.953156572 -1.6035243 -63.556680872 4.0949729863 0.8833983835 0.0006858253 -0.34229661 5.98800894 -0.33373818 0.20157744 -0.06411589 3.10150334 0.43444257 1.93355097 -6.99735922 -9.24483439 0.70397391 -8.17325266 -12.30822202 -10.68599162 -55.04723406 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1032350-13-2 24964624 170466896 A MK-2206 NC1(CCC1)c2ccc(cc2)c3nc5C=CN6C(=O)NN=C6c5cc3c4ccccc4 Tox21_113368_1 -NCGC00091253-05 196704856 tox21-ror-cho-viability-p1 set1 4 9.3937156208 15.729931052 -5.729931052 10 0.2 0.5068655194 0.1741313875 -4.54849961 -5.19160921 0.29489422 -4.59225042 -0.14727214 -2.72565875 3.6032302 -0.12329744 0.29190534 -3.81029829 2.15306661 -0.56484907 1.67905454 6.73769994 4.27498829 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00253763-01 196705257 tox21-ror-cho-viability-p1 set1 4 23.7101376556 -16.983605888 3 -13.983605888 0.2 0.3673862994 0.3050366688 1.13609971 -0.13066789 5.42149047 -1.39568375 -5.99170202 3.89340178 -3.2049665 0.29348263 -4.53143512 -4.07520891 -2.54939764 -3.60172524 0 -4.51005945 -9.98633824 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 141200-24-0 60870 170466177 A A Darglitazone Cc3oc(nc3CCC(=O)c2ccc(CC1SC(=O)NC1=O)cc2)c4ccccc4 Tox21_113876 -NCGC00091163-03 196701037 tox21-ror-cho-viability-p1 set1 4 0.7708946 0.7205381 0.69960811 0.99710547 -0.58392782 3.59283219 -0.70536497 0.3087248 2.55909538 5.18495589 0.72801072 1.10079118 2.94493009 6.92166226 1.8267596 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00091250-12 196704355 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -15.4437843999 1.5 -13.9437843999 4.5044702849 0.5812204992 0.1116638195 -0.51939869 1.20298184 5.45542037 1.82793807 0.67185139 -3.51304013 -0.20045959 6.18963708 -0.13167896 -0.5994189 6.1560068 1.94085792 0.2782629 0.03435335 -10.786487 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-55-5 5770 170465405 A Reserpine COc1cc(cc(OC)c1OC)C(=O)O[C@@H]3C[C@@H]4CN5CCc2c6ccc(OC)cc6nc2[C@H]5C[C@@H]4[C@@H]([C@H]3OC)C(=O)OC Tox21_111107_1 -NCGC00024589-06 196704361 tox21-ror-cho-viability-p1 set1 4 0.0018833632 14.883991756 -9.883991756 5 0.2 0.577238113 0.1161815212 -6.56999313 -0.72848234 -0.93959005 -0.55318467 0.54271867 -1.40170282 0.59535957 -0.18982838 0.19094693 3.92726502 -0.2496174 -0.92550262 4.56922289 3.20977965 4.81166546 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54239-37-1 2755 170466620 Z Cimaterol N#Cc1cc(ccc1N)C(O)CNC(C)C Tox21_110908_1 -NCGC00262954-01 196704765 tox21-ror-cho-viability-p1 set1 4 -3.86831174 -0.25342563 -1.6556643 -0.24624881 -3.70801603 -0.43661548 -2.39519633 -0.65468777 -2.18502025 -7.11781315 -2.79511226 -4.93937249 -2.02474719 -1.33968362 -3.64082017 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 331741-94-7 206044 170466259 A F Muraglitazar COc1ccc(cc1)OC(=O)N(CC(=O)O)Cc2ccc(cc2)OCCc3nc(oc3C)c4ccccc4 Tox21_113946 -NCGC00016000-13 196700638 tox21-ror-cho-viability-p1 set1 -2.1 35.1818565023 -86.0664122582 -3.4083187329 -89.4747309911 1.21 0.9198055247 0.0001045121 -4.29174817 -0.31973904 1.23621419 -0.42153648 0.78073743 -4.46430354 -3.82664341 -10.25944564 -4.10572511 -10.74746774 -14.34524617 -18.41859403 -30.74667999 -36.95492387 -82.84697314 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00255945-01 196700640 tox21-ror-cho-viability-p1 set1 4 -0.49955228 0.30069316 0.66556802 2.80690048 6.26549818 7.02699647 -0.04814695 4.11270044 -0.26962696 10.2637514 1.15438593 0.38088329 0.17603981 2.17885859 -0.23509134 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 111974-72-2 5281025 144212683 A A Quetiapine fumarate O=C(O)/C=C/C(=O)O.OCCOCCN1CCN(CC1)C3=Nc4ccccc4Sc2ccccc23.OCCOCCN1CCN(CC1)C3=Nc4ccccc4Sc2ccccc23 Tox21_302366 -NCGC00255994-01 196700645 tox21-ror-cho-viability-p1 set1 4 50.2911461578 18.155055916 -4.155055916 14 0.9999999999 0.8331706054 0.0036943661 -3.3571699 -4.21627002 -5.22345886 -2.92376776 -6.79587993 -3.99348586 -5.61442962 -2.77018346 -4.41794994 -1.26411332 -1.50353222 -0.70246479 0.26437549 1.06570198 10.35301493 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 2217-02-9 6997371 144211665 A A (1R)-endo-(+)-Fenchyl alcohol C[C@@]12CC[C@@H](C1)C(C)(C)[C@@H]2O Tox21_301348 -NCGC00255369-01 196701043 tox21-ror-cho-viability-p1 set1 4 0.16589689 -0.04877423 -8.95174612 -0.59363791 -7.90708049 -6.97496303 -1.0814314 -0.51725703 -0.29337436 -0.40395171 -7.17309782 1.70096475 -0.01592267 0.85057462 -3.19515305 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 28159-98-0 91590 144212584 A A Cybutryne CSc2nc(NC1CC1)nc(NC(C)(C)C)n2 Tox21_302267 -NCGC00255222-01 196701061 tox21-ror-cho-viability-p1 set1 4 30.6378586933 -12.760078944 0 -12.760078944 0.7999999999 0.6756304199 0.0505965745 0.10504163 0.74010969 -0.22418794 0.69430618 0.62671175 0.00520042 -2.75510174 0.94671565 -3.43578799 0.9103673 -6.345595 0.33598056 -5.49690792 -5.91326768 -10.63339912 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 37076-68-9 5386 144212129 A A Tegafur FC1=CN(C(=O)NC1=O)C2CCCO2 Tox21_301812 -NCGC00255443-01 196701455 tox21-ror-cho-viability-p1 set1 4 -5.52346488 -5.5827439 -3.18206931 -9.18120693 -2.44885273 -0.98481976 -5.41646486 -3.58426505 -8.06180924 -8.63403593 -3.98055306 -2.3395939 -6.08952359 -2.14717954 -15.1098365 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-95-2 7071 144212487 B Fns 3,3'-Diaminobenzidine Nc1ccc(cc1N)c2ccc(N)c(N)c2 Tox21_302170 -NCGC00256043-01 196701460 tox21-ror-cho-viability-p1 set1 4 3.68640693 -2.52389574 -5.53981377 -2.81411027 0.28859327 -3.95836089 0.97894181 0.10708204 1.9110905 0.48417694 0.1402289 -5.60173434 0.59930612 -2.60379816 0.224941 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-45-1 61151 144212651 A A Methyl 2-methoxybenzoate COc1ccccc1C(=O)OC Tox21_302334 -NCGC00255237-01 196701467 tox21-ror-cho-viability-p1 set1 4 30.6378586933 10.0412366561 0.9587633439 11 4.9549173134 0.8431955142 0.0043812359 2.65811036 1.25523777 0.92902196 0.8897451 0.78794417 -0.03436388 0.79550629 1.12955974 1.50989793 3.3388715 0.95306768 0.96857144 0.16920455 10.15746798 1.06147211 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25954-13-6 33256 144212234 A A Fosamine ammonium [NH4+].NC(=O)P([O-])(=O)OCC Tox21_301917 -NCGC00182713-01 196725674 tox21-ror-cho-viability-p1 set3 -2.1 29.8492948118 -77.247895362 -1.530041798 -78.77793716 4.0949729863 0.9799780808 4.78E-8 2.56880368 1.57008513 -1.02294995 -0.4239776 -2.98790592 -1.06001339 -0.37174073 -0.11356616 -2.91718562 -5.73306631 -2.74435338 -4.96484091 -6.25175607 -14.71028394 -67.7316143 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 267243-28-7 156414 144206912 A A Canertinib Fc1ccc(cc1Cl)Nc4ncnc3cc(OCCCN2CCOCC2)c(NC(=O)C=C)cc34 Tox21_113361 -NCGC00257733-01 196730591 tox21-ror-cho-viability-p1 set3 4 -0.51762383 1.098119 0.43392502 0.60908537 0.28166864 0.14292335 2.01480237 1.46589118 1.9287907 3.08337842 0.78132024 -1.03958838 -2.99332014 1.60502131 -0.45095919 1.218E-9 2.723E-9 6.088E-9 1.361E-8 3.044E-8 6.807E-8 1.522E-7 3.403E-7 7.61E-7 0.000001702 0.000003805 0.0000085079999999 0.000019019999999 0.000042539999999 0.00009512 763-69-9 12989 144207377 A A Ethyl 3-ethoxypropionate CCOCCC(=O)OCC Tox21_200179 -NCGC00018099-09 196726080 tox21-ror-cho-viability-p1 set3 4 0.026603212 9.048471812 1.451528188 10.5 2.3331733767 0.4799097454 0.196779417 1.38673084 1.34805922 -0.87372651 3.47710191 3.89329198 5.57218137 11.06581133 12.75011501 17.81513512 16.91667713 7.03560197 8.46482405 1.2937829 4.54460227 13.79415348 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 479-18-5 3182 170465316 A Dyphylline OCC(O)Cn2cnc1c2C(=O)N(C)C(=O)N1C Tox21_110444_1 -NCGC00021148-08 196725670 tox21-ror-cho-viability-p1 set3 4 -4.43820309 0 -7.17154942 -1.34128346 -7.11990197 -4.93957334 2.55723479 2.04892616 -1.44664783 -3.21261678 -7.52229496 -3.49335815 -4.76308597 -7.44590089 -3.22004034 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56392-17-7 441308 170464652 A Metoprolol tartrate O=C(O)[C@H](O)[C@@H](O)C(=O)O.CC(C)NCC(O)COc1ccc(CCOC)cc1.CC(C)NCC(O)COc1ccc(cc1)CCOC Tox21_110787_1 -NCGC00178737-05 196725675 tox21-ror-cho-viability-p1 set3 4 37.5780357627 -19.960281044 -1 -20.960281044 4.9549173134 0.4419204212 0.2320263887 0 -10.75709866 0.15831929 -2.95779467 -9.99138495 1.11098179 5.3685178 5.11726004 0.31023478 -5.88726859 -0.25225556 1.56740326 0.63025797 0.26122783 -17.46690087 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4330-99-8 6604495 170465278 A Trimeprazine tartrate O=C(O)[C@H](O)[C@H](O)C(=O)O.CN(C)C[C@H](C)CN1c3ccccc3Sc2ccccc12.CN(C)C[C@H](C)CN1c3ccccc3Sc2ccccc12 Tox21_110755_1 -NCGC00015100-15 196726094 tox21-ror-cho-viability-p1 set3 4 -0.98701476 -4.33476566 -0.63379007 0.49441531 -0.8061769 -2.14702113 -3.91111046 -0.83325918 -3.02542588 -2.92321891 0.54418967 -1.20505403 -3.78999786 -3.5052219 -0.44376378 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 645-05-6 2123 170464714 A Altretamine CN(C)c1nc(nc(n1)N(C)C)N(C)C Tox21_110085_1 -NCGC00094960-06 196726095 tox21-ror-cho-viability-p1 set3 4 0.0010318337 -5.5750348439 3.5 -2.0750348439 4.9549173134 0.434903078 0.2428402981 1.60190152 5.40572141 -3.98837819 -1.99572891 -5.50858862 -1.02275032 -2.12450209 -5.89586237 -0.65758903 -0.37723461 -0.76858833 -0.88951464 -0.41940231 -0.53302185 -0.79714651 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 84-65-1 6780 170466833 F Anthraquinone O=C2c1ccccc1C(=O)c3ccccc23 Tox21_111369_1 -NCGC00256491-01 196726493 tox21-ror-cho-viability-p1 set3 -2.4 61.130564862 -31.078528772 -0.5 -31.578528772 1.92824246 0.8415920838 0.0028972508 -1.63105893 -5.85342901 -0.24260321 0.68503016 -6.4010903 1.66767933 0.95336999 1.82746829 1.73597956 1.58236547 -0.26388846 -0.67620173 -5.76016051 -9.43586853 -22.98210731 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 111-71-7 8130 144213096 F Heptanal CCCCCCC=O Tox21_302779 -NCGC00257301-01 196726496 tox21-ror-cho-viability-p1 set3 4 1.78146939 -1.17529938 -25.21477395 -23.78048334 -0.07646953 0 -1.99196195 0 -2.61043712 -1.07354253 -1.90308247 1.90640785 -2.55165204 -3.91730816 -3.3247934 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 594-20-7 11660 144213846 Fns 2,2-Dichloropropane CC(C)(Cl)Cl Tox21_303540 -NCGC00256782-01 196726510 tox21-ror-cho-viability-p1 set3 4 -0.95410522 2.10309577 0.96901737 1.04001722 1.59353358 0.06372855 0.61986965 2.4756876 0.85938515 2.06384168 2.40623029 2.17780614 0.42369095 2.05175274 -1.32991153 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 13851-11-1 107217 144212888 A Ac Fenchyl acetate CC(=O)OC2C(C)(C)C1CCC2(C)C1 Tox21_302571 -NCGC00257459-01 196726912 tox21-ror-cho-viability-p1 set3 4 44.8972441114 -19.9580124039 -1 -20.9580124039 4.9549173134 0.6803738874 0.0477934793 -1.89668577 -0.13868803 -0.75130114 -3.08062822 -3.49986774 -1.42762658 -3.13330242 -2.91003836 0.51985791 -4.43549768 -2.26872719 2.14507412 5.5773676 0.03253756 -15.79834367 6.842E-10 1.5299999999E-9 3.4209999999E-9 7.6499999999E-9 1.711E-8 3.8249999999E-8 8.5529999999E-8 1.913E-7 4.277E-7 9.563E-7 0.0000021379999999 0.000004781 0.00001069 0.00002391 0.00005346 90357-06-5 56069 144213865 A A Bicalutamide Fc1ccc(cc1)S(=O)(=O)C[C@](C)(O)C(=O)Nc2cc(c(C#N)cc2)C(F)(F)F Tox21_303560 -NCGC00255040-01 196714562 tox21-ror-cho-viability-p1 set2 4 9.6885416101 5.2615301359 -1.2615301359 4 3.5117481694 0.3996000572 0.2934647505 -1.78218584 0.27906381 -1.99699571 0.10184257 1.28656009 -1.31591927 0.04198702 -0.30380537 -1.38103642 -7.71794178 0.7046685 0.38645728 4.56941459 2.96689244 -0.12463136 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3011-89-0 2075 144211459 A A 2-Chloro-4-nitrobenzamide O=C(N)c1ccc(cc1Cl)[N+]([O-])=O Tox21_301142 -NCGC00254392-01 196714566 tox21-ror-cho-viability-p1 set2 4 -1.15905399 3.57519607 -0.22156399 -1.86017446 1.51185216 1.3775209 3.82214873 1.349718 1.03231329 2.27917765 0.75929848 -0.04858164 6.23802632 3.28267964 8.01582077 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 629-62-9 12391 144210853 FNS Pentadecane CCCCCCCCCCCCCCC Tox21_300535 -NCGC00016706-07 196713331 tox21-ror-cho-viability-p1 set2 -1.2 1.8833631789 -30.545152872 0 -30.545152872 1.8851180601 0.9405805342 0.000021465 0.97152155 -0.67020084 -1.51721295 1.40676611 0.74750895 2.4323621 -0.65825735 -1.89859618 -2.00818166 -6.07683236 -10.16511015 -32.13365005 -22.056899 -32.95429406 -31.44398714 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14255-87-9 26596 170466402 A Parbendazole O=C(OC)Nc1nc2cc(ccc2n1)CCCC Tox21_110571_1 -NCGC00254587-01 196714155 tox21-ror-cho-viability-p1 set2 4 -6.48102335 -6.46929585 -2.01362827 -7.52779739 -5.24126859 -2.5214882 -8.38600343 -13.90932604 -17.81942112 -2.37648202 -9.54846779 -22.43119596 -3.90996974 -7.27591435 -4.33758498 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 6153-64-6 54680691 144210996 D Oxytetracycline dihydrate O.O.NC(=O)C=3C(=O)[C@@]4(O)C(O)=C2C(=O)c1c(O)cccc1[C@@](C)(O)[C@H]2[C@H](O)[C@H]4[C@@H](C=3O)N(C)C Tox21_300679 -NCGC00254698-01 196714567 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -10.6792666079 1 -9.6792666079 2.9522712143 0.7252194657 0.0291308904 0.12147257 0.03774676 4.03640013 2.07547056 1.75650542 0.27665179 0.04081338 1.86775133 1.75241931 0.03143146 0.03507858 0.0857504 -0.47106568 -0.74006217 -6.39938884 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10311-84-9 25146 144211111 A A Dialifor CCOP(=S)(OCC)SC(CCl)N2C(=O)c1ccccc1C2=O Tox21_300794 -NCGC00254948-01 196714573 tox21-ror-cho-viability-p1 set2 4 -2.59082768 0.61966098 1.01151643 1.13816874 1.29830227 2.41969546 0.96840618 0.73370237 2.6104647 0.22778972 1.59501674 3.23787485 4.78638215 1.94641273 0.96294773 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 135410-20-7 213021 144211363 A A Acetamiprid Clc1ccc(CN(C)C(/C)=N\C#N)cn1 Tox21_301046 -NCGC00257705-01 196715398 tox21-ror-cho-viability-p1 set2 4 43.6735229148 -7.4010221 0.5 -6.9010221 1.5094870999 0.4503706198 0.2285408448 1.62571828 0.70220767 -3.19921142 0.61082113 0.91983889 4.96975657 -0.85157394 -0.44809656 -0.9691635 3.05909889 1.01021118 -2.22009154 -0.446653 -2.56834353 -5.75085175 1.189E-9 2.658E-9 5.9439999999E-9 1.3289999999E-8 2.9719999999E-8 6.6449999999E-8 1.486E-7 3.323E-7 7.4299999999E-7 0.0000016609999999 0.0000037149999999 0.000008307 0.00001857 0.00004153 0.00009287 36322-90-4 54676228 144207349 A B Piroxicam OC=2c1ccccc1S(=O)(=O)N(C)C=2C(=O)Nc3ccccn3 Tox21_200151 -NCGC00257763-01 196715402 tox21-ror-cho-viability-p1 set2 4 1.645599 5.93825913 2.42445969 2.52312281 -0.11663513 1.8743122 -0.51102217 5.10423125 4.72747792 0.62044998 0.64481453 2.06079841 -0.13868858 -0.64923046 -0.19116929 1.191E-9 2.663E-9 5.954E-9 1.331E-8 2.977E-8 6.657E-8 1.489E-7 3.3279999999E-7 7.4429999999E-7 0.0000016639999999 0.000003721 0.0000083209999999 0.00001861 0.000041609999999 0.00009303 111-41-1 8112 144207407 AC F N-(Hydroxyethyl)ethylenediamine NCCNCCO Tox21_200209 -NCGC00258286-01 196715404 tox21-ror-cho-viability-p1 set2 4 -5.30071837 -3.16454198 -6.92657767 -1.84936582 -5.58316975 -4.33634231 -1.30844103 -0.62887183 -4.00822056 -2.70530896 -3.35158136 -1.27343344 -2.26927504 -1.12426558 0.74807589 1.166E-9 2.6069999999E-9 5.83E-9 1.304E-8 2.9149999999E-8 6.518E-8 1.457E-7 3.259E-7 7.287E-7 0.0000016299999999 0.0000036439999999 0.0000081479999999 0.00001822 0.00004074 0.00009109 16712-64-4 85557 144207930 A A 6-Hydroxy-2-naphthoic acid O=C(O)c1ccc2cc(O)ccc2c1 Tox21_200732 -NCGC00091499-05 196715406 tox21-ror-cho-viability-p1 set2 4 0.18681315 1.76231344 0.44291801 2.17567402 1.58948063 2.52029951 0.18785855 0.69091944 -0.23622071 0.01400797 -0.13491891 -0.16461891 -3.91442448 -0.29947016 0.58684551 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00258454-01 196715408 tox21-ror-cho-viability-p1 set2 4 -0.30274798 -3.43393089 -2.03482824 -6.20279965 -0.49990151 -1.88884714 0.24966058 0.28601301 -0.50044861 -1.39934854 -2.30283535 -0.2440808 0.2348692 0.78114239 0.56797505 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.613E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.00001848 0.00004133 0.00009242 29676-71-9 34665 144208098 FNS 2-Amino-4-thiazoleacetic acid OC(=O)Cc1csc(N)n1 Tox21_200900 -NCGC00258653-01 196715414 tox21-ror-cho-viability-p1 set2 4 -0.73104661 0.37264647 2.09252702 -0.23445108 -1.69653252 0.2866968 2.4077841 0.5572844 -0.66923285 -1.27585842 -1.93932339 -0.35361445 3.0774468 4.23202134 3.37000581 1.172E-9 2.621E-9 5.8609999999E-9 1.311E-8 2.931E-8 6.553E-8 1.465E-7 3.277E-7 7.327E-7 0.0000016379999999 0.0000036629999999 0.000008192 0.00001832 0.00004096 0.00009159 21285-46-1 18603 144208299 A (2E)-2,3-Dibromo-2-butene-1,4-diol BrC(CO)=C(Br)CO Tox21_201101 -NCGC00257686-01 196715809 tox21-ror-cho-viability-p1 set2 4 8.04581483 6.56293676 0.02583515 1.47138326 1.84808173 4.3237617 0.0194184 -1.57715181 3.83199574 0.51011277 1.30394472 -1.05235299 1.5599685 -0.22793912 -0.2408729 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.3169999999E-8 2.9459999999E-8 6.587E-8 1.4729999999E-7 3.2929999999E-7 7.364E-7 0.0000016469999999 0.0000036819999999 0.000008234 0.000018409999999 0.00004117 0.00009206 18479-58-8 29096 144207330 A A 1,1,5-Trimethyl-6-heptenol CC(C)(O)CCCC(C)C=C Tox21_200132 -NCGC00258892-01 196706509 tox21-ror-cho-viability-p1 set1 -1.1 27.2504920471 -81.6047302939 -7.3552930729 -88.9600233668 3.1319983358 0.9447413136 0.0000144814 -11.94433862 -5.12744571 -19.03133028 -14.93731922 -2.07007028 -9.71617883 -4.1392325 -15.27908881 4.77047228 -1.28417617 -5.93998679 -9.38898043 -23.95157903 -69.5524224 -88.78245845 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009203 95-32-9 7231 144208538 B B 2-(Morpholin-4-yldithio)-1,3-benzothiazole c1cccc2sc(nc12)SSN3CCOCC3 Tox21_201340 -NCGC00259072-01 196706498 tox21-ror-cho-viability-p1 set1 4 -5.33547828 4.0140955 -4.16741178 -0.02220289 6.49486685 -0.38668607 2.8249189 4.57171274 4.86763003 0 -0.95783528 -3.97599769 2.83858613 0.18801387 0.7347312 1.1699999999E-9 2.617E-9 5.851E-9 1.3079999999E-8 2.926E-8 6.542E-8 1.463E-7 3.271E-7 7.314E-7 0.0000016359999999 0.000003657 0.000008178 0.00001829 0.000040889999999 0.00009143 554-00-7 11123 144208720 A A 2,4-Dichloroaniline Clc1cc(Cl)c(N)cc1 Tox21_201522 -NCGC00258828-01 196706503 tox21-ror-cho-viability-p1 set1 4 24.2375538006 -32.251468344 -4 -36.251468344 0.7999999999 0.5345730899 0.1480487824 -13.55580027 -3.33966965 -1.23628242 -16.15609293 -9.35388873 -0.55195119 -4.7226221 -14.66173697 6.39584452 -3.44859437 -14.42375479 -12.80059578 -16.91685571 -26.10736321 -26.87622362 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.571E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008214 0.00001837 0.00004107 0.00009184 133-06-2 8606 144208474 A F Captan ClC(Cl)(Cl)SN2C(=O)C1CC=CCC1C2=O Tox21_201276 -NCGC00259368-01 196706504 tox21-ror-cho-viability-p1 set1 4 4.0432716 2.23251371 1.85132365 -1.37574455 0.84213702 -1.39609314 1.68449011 3.42461008 2.15213942 7.12792991 0.79598176 1.67594075 -0.25689192 1.69599721 -0.00780935 1.189E-9 2.66E-9 5.9469999999E-9 1.3299999999E-8 2.9739999999E-8 6.649E-8 1.487E-7 3.325E-7 7.4339999999E-7 0.000001662 0.0000037169999999 0.000008312 0.00001859 0.00004156 0.00009293 479500-35-1 11769095 144209017 A A 1-Butyl-1-methylpyrrolidinium chloride [Cl-].CCCC[N+]1(C)CCCC1 Tox21_201819 -NCGC00259790-01 196706915 tox21-ror-cho-viability-p1 set1 -1.1 0.303576587 -76.4985477387 -6.927080882 -83.4256286207 1.9673362061 0.949765646 0.0000086149 -12.7845738 -7.03522633 -9.5503488 -8.37239807 -0.26444313 -15.4573616 -11.88090487 -50.05756232 -86.17922534 -58.24012973 -82.95718603 -85.85368146 -86.36193439 -85.88433148 -84.52595175 1.171E-9 2.6189999999E-9 5.856E-9 1.3089999999E-8 2.9279999999E-8 6.547E-8 1.464E-7 3.274E-7 7.3199999999E-7 0.000001637 0.00000366 0.0000081839999999 0.0000183 0.00004092 0.0000915 62-38-4 16682730 144209439 Phenylmercuric acetate CC(=O)O[Hg]c1ccccc1 Tox21_202241 -NCGC00259629-01 196706916 tox21-ror-cho-viability-p1 set1 4 4.90253669 7.59993961 0.32350911 0.00811679 0.26547347 2.05489979 2.14474092 -0.17020702 3.13682871 12.3341119 -3.05320542 -0.00252508 0.65308591 7.42064402 7.38342432 1.226E-9 2.742E-9 6.132E-9 1.371E-8 3.066E-8 6.855E-8 1.5329999999E-7 3.4279999999E-7 7.6649999999E-7 0.0000017139999999 0.000003832 0.000008569 0.00001916 0.00004285 0.000095809999999 141-79-7 8858 144209278 A F 4-Methylpent-3-en-2-one C\C(C)=C/C(C)=O Tox21_202080 -NCGC00259311-01 196706925 tox21-ror-cho-viability-p1 set1 -1.1 6.0819863345 -99.9275424111 2.749717327 -97.1778250841 1.0999999999 0.9812343781 3.28E-8 2.46076324 6.50125903 1.12529972 4.46949084 1.29284575 0.45706657 1.17345842 -0.10057144 -4.95255294 -16.25245879 -40.72843643 -43.36324166 -84.08715288 -88.50439443 -87.48312078 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.938E-8 6.568E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.000041049999999 0.0000918 548-62-9 11057 144208960 A A Gentian Violet [Cl-].C/[N+](C)=C1\C=C\C(C=C1)=C(/c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C Tox21_201762 -NCGC00258933-01 196706926 tox21-ror-cho-viability-p1 set1 4 0.0135741653 4.680572688 -2.680572688 2 3.5117481694 0.3453748828 0.3279868917 -2.01227282 1.13616025 -7.65047724 0.57475287 1.06914158 1.46497616 -0.31137354 0.98498944 5.15375211 6.35485022 2.14221705 0.70986955 0.42422978 0.70164564 0.27060112 1.172E-9 2.621E-9 5.8609999999E-9 1.311E-8 2.931E-8 6.553E-8 1.465E-7 3.276E-7 7.326E-7 0.0000016379999999 0.0000036629999999 0.000008191 0.00001832 0.00004096 0.00009158 112-41-4 8183 144208580 FNS 1-Dodecene CCCCCCCCCCC=C Tox21_201382 -NCGC00163771-03 196702786 tox21-ror-cho-viability-p1 set1 4 -2.2566651 -11.22091207 -3.76694019 5.69738821 0.01124625 -3.55234397 -8.44127251 0.22140408 -2.01828693 -4.64633891 -1.77643656 -9.84930321 -4.6102885 0.13972217 -4.67332478 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00163724-03 196702362 tox21-ror-cho-viability-p1 set1 4 1.5355303643 -4.6012368279 4.5 -0.1012368279 3.9294729863 0.4653483705 0.2124951352 3.15734586 3.24397927 2.36073994 6.28616697 4.77139181 1.58159646 2.7858857 8.93685518 9.58191354 0.45373794 1.85730262 -1.75103069 -0.43190561 -0.25830787 1.31578382 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00258431-01 196702386 tox21-ror-cho-viability-p1 set1 4 67.1274458943 8.2582677359 -0.7582677359 7.5 4.0949729863 0.3405751805 0.3335737427 -0.51706384 -0.44624929 -0.83660511 0.93360109 0.12256204 -1.40404407 -5.43799064 1.45703845 -0.89432067 -5.63188978 0.79444146 3.27837705 -0.50969473 0.01127972 5.61027672 1.159E-9 2.592E-9 5.7959999999E-9 1.2959999999E-8 2.898E-8 6.48E-8 1.449E-7 3.24E-7 7.245E-7 0.00000162 0.000003622 0.0000080999999999 0.000018109999999 0.000040499999999 0.00009056 626-56-2 79081 144208075 AC Fns 3-Methylpiperidine CC1CCCNC1 Tox21_200877 -NCGC00258688-01 196702784 tox21-ror-cho-viability-p1 set1 4 4.48534827 -2.06176154 1.24700932 0.8481068 1.51065386 -2.00649471 3.0478992 4.55394509 4.7465477 6.61245222 4.69220672 1.48516425 4.54390116 -0.66311127 0.46311592 1.159E-9 2.591E-9 5.793E-9 1.2949999999E-8 2.896E-8 6.4759999999E-8 1.448E-7 3.238E-7 7.241E-7 0.0000016189999999 0.00000362 0.000008096 0.0000181 0.000040479999999 0.00009051 8021-39-4 460 144208334 D Creosote, wood Oc1ccccc1OC Tox21_201136 -NCGC00258413-01 196702288 tox21-ror-cho-viability-p1 set1 4 0.0055148221 82.796437032 -78.777923956 4.018513076 1.4780888099 0.9644821341 0.0000024283 -87.57174046 -60.0590333 -31.97746738 -10.42198478 -8.57367897 -0.46230591 0.11460155 9.51125789 5.0457887 2.36032359 0.74259076 4.41347987 6.87235252 2.81280112 9.57070518 1.1919999999E-9 2.6659999999E-9 5.96E-9 1.333E-8 2.98E-8 6.664E-8 1.49E-7 3.332E-7 7.45E-7 0.0000016659999999 0.000003725 0.00000833 0.00001863 0.000041649999999 0.00009313 118-29-6 8354 144208057 AC 2-(Hydroxymethyl)-1H-Isoindole-1,3(2H)-dione O=C2c1ccccc1C(=O)N2CO Tox21_200859 -NCGC00016000-13 196701893 tox21-ror-cho-viability-p1 set1 -2.2 12.4829937451 -59.204852207 6.6362921175 -52.5685600895 0.4 0.902348134 0.0002857369 11.11561904 2.69880498 0.47004818 6.7206154 0.35614461 1.93451118 0.71454615 -13.1312707 -7.70586886 -14.71259942 -16.45898579 -14.84958401 -18.98302077 -30.16460982 -41.61022331 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00257701-01 196702295 tox21-ror-cho-viability-p1 set1 4 0.29056855 -3.20003956 2.89798157 -1.0805271 1.70850722 3.06522794 2.90471831 2.67604346 3.40882044 -1.4642822 0.8218447 -0.35420267 3.19172863 4.79656018 1.49577516 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.976E-8 6.656E-8 1.4879999999E-7 3.3279999999E-7 7.441E-7 0.0000016639999999 0.000003721 0.000008319 0.0000186 0.0000416 0.00009301 616-21-7 12017 144207345 FNS 1,2-Dichlorobutane CCC(Cl)CCl Tox21_200147 -NCGC00257805-01 196702303 tox21-ror-cho-viability-p1 set1 4 -1.05076068 -0.17364112 -0.41587205 0.27054889 6.73724905 3.94983952 4.38003857 1.06721573 0.84433206 0.54987939 0.00204868 4.34156937 -2.36513632 1.00252155 0.81070745 1.1859999999E-9 2.653E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001854 0.00004145 0.00009268 5464-79-9 21622 144207449 A A 2-Amino-4-methoxybenzothiazole COc1cccc2sc(N)nc12 Tox21_200251 -NCGC00258209-01 196702706 tox21-ror-cho-viability-p1 set1 4 0.0104849553 -7.80347274 -1 -8.80347274 2.2526478767 0.3205174127 0.3486328576 -1.03324406 -0.58233441 -4.17191805 -2.45808517 -13.53083012 -7.45351097 -11.65498397 -15.25289395 -5.77054473 -8.39297345 -15.01140449 -5.67145003 -10.79103473 1.30557927 -6.02569664 1.1449999999E-9 2.56E-9 5.724E-9 1.28E-8 2.8619999999E-8 6.399E-8 1.431E-7 3.2E-7 7.155E-7 0.0000016 0.000003577 0.0000079989999999 0.00001789 0.000039999999999 0.00008943 57018-52-7 92629 144207853 A A 1-tert-Butoxy-2-propanol CC(C)(C)OCC(C)O Tox21_200655 -NCGC00257960-01 196702707 tox21-ror-cho-viability-p1 set1 4 -14.70341877 -3.64595056 -6.86239661 1.94952394 -3.1423621 -10.55792409 -14.64893724 -6.02219479 -6.17119838 -13.93105527 -14.20992744 -11.46360316 -14.07705867 -10.22657289 -14.17929408 1.231E-9 2.752E-9 6.153E-9 1.3759999999E-8 3.076E-8 6.879E-8 1.538E-7 3.4389999999E-7 7.691E-7 0.0000017199999999 0.000003845 0.000008598 0.00001923 0.00004299 0.000096129999999 108-31-6 7923 144207604 A A 2,5-Furandione O=C1C=CC(=O)O1 Tox21_200406 -NCGC00257623-01 196702711 tox21-ror-cho-viability-p1 set1 4 -5.12455561 -9.13347077 -8.53101877 -2.68005207 -13.4733679 -1.94653276 -12.00916595 -10.134121 -8.7545011 -9.76437279 -10.19089369 -8.71911793 -13.71270739 -9.52602108 -5.98539448 1.173E-9 2.624E-9 5.867E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.28E-7 7.3329999999E-7 0.0000016399999999 0.000003667 0.0000081989999999 0.00001833 0.000041 0.00009167 114-83-0 8247 144207267 A A 1-Acetyl-2-phenylhydrazine CC(=O)NNc1ccccc1 Tox21_200069 -NCGC00260575-01 196703119 tox21-ror-cho-viability-p1 set1 4 0.1883363179 4.4983483 -4.9983483 -0.5 4.9549173134 0.4169397151 0.2577402 -1.71624106 -6.11266708 -2.60348414 -0.53189185 -6.07067993 -7.84407919 -10.41529025 -3.56677786 1.90120525 2.42112669 -1.29328297 -3.91728657 1.21235858 -1.47178295 -1.23118986 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49471 144210228 M M NTP Mix39 CT1 2-EQP Tox21_203030 -NCGC00260301-01 196703121 tox21-ror-cho-viability-p1 set1 4 5.65420258 6.26394862 -7.2215505 5.05521839 -0.03949199 7.46416386 3.39820908 9.70824535 7.50660383 4.66632348 5.34795492 7.50001966 3.13768855 4.18515629 9.00191906 6.193E-10 1.3849999999E-9 3.0959999999E-9 6.924E-9 1.548E-8 3.4619999999E-8 7.741E-8 1.731E-7 3.8709999999E-7 8.655E-7 0.000001935 0.0000043269999999 0.000009676 0.00002164 0.00004838 7446-81-3 4068533 144209952 A Sodium 2-propenoate [Na+].[O-]C(=O)C=C Tox21_202754 -NCGC00090827-04 196701067 tox21-ror-cho-viability-p1 set1 4 -1.40269132 9.20870999 6.56420639 0.01383638 -0.45226725 0.95621551 1.09826123 0.34010899 5.73559179 -1.02184886 -0.12337229 -1.72663298 0.15304441 -0.71645362 -2.96973824 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00255449-01 196700247 tox21-ror-cho-viability-p1 set1 4 61.130564862 11.406363232 -1.406363232 10 1.17051 0.4739062349 0.2050886478 0.42445792 0.10467066 -0.50493187 -3.62608726 2.27745534 -4.46736749 1.08976863 -4.92196936 -3.8312095 -0.69451238 -0.6272356 1.55297119 1.05766208 1.16910657 6.71132193 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 151-05-3 9024 144212098 A A Dimethylbenzylcarbinyl acetate CC(=O)OC(C)(C)Cc1ccccc1 Tox21_301781 -NCGC00257532-01 196700663 tox21-ror-cho-viability-p1 set1 4 -5.41803052 -0.09529875 0.72785569 -5.55211358 -3.08919807 0.04642586 -5.90598293 0.18875398 2.58618514 0.56907007 1.64774653 -4.02959877 -0.53958517 0.79001922 1.98687751 9.3199999999E-10 2.084E-9 4.66E-9 1.042E-8 2.33E-8 5.2099999999E-8 1.165E-7 2.605E-7 5.825E-7 0.000001302 0.000002912 0.000006512 0.00001456 0.00003256 0.00007281 831-82-3 13254 144212507 A A 4-Phenoxyphenol Oc2ccc(Oc1ccccc1)cc2 Tox21_302190 -NCGC00066947-05 196700665 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -10.4799162759 -0.5 -10.9799162759 4.9549173134 0.341239317 0.3313147498 0.96891723 -0.97319193 0.4530366 0.16946644 0.8843375 0.17098039 1.75186855 -6.76106307 -5.47669723 4.59448747 0.57151384 -0.5946156 -0.98449375 -1.01267845 -7.89993023 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00163843-03 196727764 tox21-ror-cho-viability-p1 set3 4 2.07978143 -1.54431787 3.69119899 -2.52063798 2.36509873 3.01276598 2.69718101 -2.21746174 4.53383164 0.47933756 -0.47538644 2.50512566 -1.86341452 5.19912146 2.0857815 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00257125-01 196727348 tox21-ror-cho-viability-p1 set3 2.2 21.6899429044 34.351026328 1.148973672 35.5 3.6272481694 0.8928752939 0.0007995008 -1.60199863 4.82447679 -2.49568627 0.74603206 2.08793689 4.95224979 -2.59279856 -2.79252194 5.12957957 4.87549514 -1.42327342 0.51092348 13.95696961 32.10139166 -18.51482085 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 753-73-1 12955 144213454 A Dimethyltin dichloride C[Sn](C)(Cl)Cl Tox21_303137 -NCGC00257184-01 196727756 tox21-ror-cho-viability-p1 set3 4 -0.30128 2.61439123 1.80366202 1.30144117 1.14977288 0.82052048 4.18848164 2.79208651 -1.96421615 -0.27096886 1.7959792 -2.11456393 1.76172385 3.004732 1.26666673 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 3290-92-4 18689 144213512 Ac Ac Trimethylolpropane trimethacrylate O=C(OCC(COC(=O)C(=C)C)(CC)COC(=O)C(=C)C)C(=C)C Tox21_303195 -NCGC00256428-01 196727760 tox21-ror-cho-viability-p1 set3 4 9.6885416101 -7.724942664 2.5 -5.224942664 4.9549173134 0.6469509958 0.0666061814 -0.82465853 0.48893955 3.58577713 3.55764891 -0.91162265 -0.58724085 2.94020902 5.67093617 4.26310217 3.45479588 6.00565587 0.22056467 -5.04595903 -7.68745222 -2.88851674 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55-80-1 5934 144213339 A A 3'-Methyl-4-dimethylaminoazobenzene CN(C)c2ccc(/N=N/c1cc(C)ccc1)cc2 Tox21_303022 -NCGC00263894-02 196725757 tox21-ror-cho-viability-p1 set3 4 0.0059557173 8.064856012 -0.064856012 8 4.9549173134 0.3601888991 0.3263286359 0.80658966 0.20475346 -1.64294097 4.47479332 15.68319353 10.82772419 9.69825986 11.67166932 11.74824005 12.77141522 0.78415433 7.30925738 -2.13738001 4.21693932 -6.48954967 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 461-05-2 9794197 170465037 Z Carnitine hydrochloride Cl.C[N+](C)(C)CC(O)CC(=O)[O-] Tox21_111339_1 -NCGC00262909-01 196725324 tox21-ror-cho-viability-p1 set3 1.2 0.2984929481 37.7230522632 0.442437692 38.1654899552 1.6258976909 0.9653694779 0.0000092058 1.93709413 3.12668084 0.43781728 -0.26732783 3.09155911 -2.28685596 3.38366305 10.11013971 25.63981634 29.71334867 31.02477151 43.97984716 37.73999441 17.10442351 -33.80247856 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 808-26-4 54688686 170466173 I Ac Sancycline NC(=O)C1=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4cccc(O)c4C(=O)C3=C(O)[C@]2(O)C1=O Tox21_113907 -NCGC00015471-08 196725327 tox21-ror-cho-viability-p1 set3 4 1.22685751 1.20862895 5.66147211 8.8981946 24.80508934 0 19.55285689 8.01138013 0 14.68130098 2.93402692 16.31900844 12.18401433 10.72241749 13.81730161 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82410-32-0 3454 170464961 A Ganciclovir OCC(CO)OCn2cnc1c2N=C(N)NC1=O Tox21_110160_1 -NCGC00016035-13 196725755 tox21-ror-cho-viability-p1 set3 4 -1.98434232 1.39067769 1.76681587 0.16047249 1.06194469 -0.56080328 -3.52396606 -4.62555945 -6.08495743 -6.07882053 -3.44427435 -1.96206734 -6.25354697 -2.57706659 -3.34419014 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25332-39-2 62935 170465234 A Trazodone hydrochloride Cl.Clc1cccc(c1)N2CCN(CC2)CCCN3N=C4C=CC=CN4C3=O Tox21_110286_1 -NCGC00091455-09 196726152 tox21-ror-cho-viability-p1 set3 -2.4 33.4914596268 -38.176015553 5.143769513 -33.03224604 4.9549173134 0.7156345655 0.0314351231 2.52702099 0.73359751 6.93349762 -0.13402319 -1.96064052 2.09326724 7.62129872 0 13.39815708 4.98567722 1.92363237 12.72973129 15.34851856 1.96505865 -27.5268717 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 169590-42-5 2662 170464693 A Celecoxib NS(=O)(=O)c1ccc(cc1)n3nc(cc3c2ccc(C)cc2)C(F)(F)F Tox21_111135_1 -NCGC00042523-03 196726156 tox21-ror-cho-viability-p1 set3 -2.4 4.7307944147 -20.160065008 -1 -21.160065008 4.9549173134 0.7968396678 0.0084906408 -7.6597308 -0.44435928 -0.40805309 4.31573996 -0.46793777 -6.949238 -6.80606132 2.11217218 -0.15033677 1.95362225 4.18043422 -8.40046924 -25.96672084 -16.93528541 -19.93682631 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 102-77-2 7619 170465568 F N-Oxydiethylenebenzothiazole-2-sulfenamide c1cccc2sc(nc12)SN3CCOCC3 Tox21_110976_1 -NCGC00182063-03 196726159 tox21-ror-cho-viability-p1 set3 4 0.0016785492 -10.244583832 1 -9.244583832 4.9549173134 0.6686917243 0.0541212553 0 0 -11.33434679 -8.76152455 -5.70229877 -9.21528033 -8.12999305 -7.58013972 -13.95381986 -9.66528126 -7.61544169 -7.92873508 -12.73354742 -7.79618333 -11.57681663 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64241-34-5 2515 170466021 C Cadralazine O=C(OCC)NNc1ccc(nn1)N(CC(C)O)CC Tox21_113146_1 -NCGC00095112-05 196717059 tox21-ror-cho-viability-p1 set2 4 0.1965781 -3.3427632 1.77795189 -3.43590955 -3.11007582 -0.55949578 -3.95581443 -2.27322761 -2.05232526 2.31056666 -0.27512654 -1.53917993 0.54434332 1.38110949 -1.41767952 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 70356-09-1 51040 170464749 F Avobenzone COc1ccc(cc1)C(=O)CC(=O)c2ccc(cc2)C(C)(C)C Tox21_111427_1 -NCGC00257996-01 196716662 tox21-ror-cho-viability-p1 set2 -2.4 59.7654606591 -34.661852232 1 -33.661852232 2.6384283767 0.765053591 0.0153132733 2.02851119 3.76704946 -0.40935634 0.78449102 2.26362282 -1.8458599 4.25365688 4.70322643 1.25114193 2.45069799 2.15585026 -11.72840474 -0.19132541 -7.96384953 -25.13487686 1.158E-9 2.589E-9 5.789E-9 1.2949999999E-8 2.8949999999E-8 6.473E-8 1.447E-7 3.2359999999E-7 7.237E-7 0.000001618 0.000003618 0.000008091 0.000018089999999 0.00004046 0.000090459999999 128-39-2 31405 144207640 A A 2,6-Di-tert-butylphenol CC(C)(C)c1cccc(c1O)C(C)(C)C Tox21_200442 -NCGC00159367-04 196717054 tox21-ror-cho-viability-p1 set2 4 1.76000365 3.6594126 0.54770356 -0.15127471 2.86010047 5.32598205 -1.03898081 1.26653184 5.55172101 1.15320858 1.8646032 2.97755055 2.64809824 2.15527076 0.19306917 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123-63-7 31264 170465660 F Paraldehyde CC1OC(C)OC(C)O1 Tox21_111607_1 -NCGC00160472-02 196717055 tox21-ror-cho-viability-p1 set2 4 0.81045081 -3.72967815 -5.17337757 -1.06110369 -0.84710506 -2.99489537 -2.57783141 -1.9040501 -7.93480188 -2.08457086 -0.04383738 -1.13326447 -3.36913932 -1.39732921 0.68521094 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 99-45-6 7436 170466247 Z Adrenone Oc1ccc(cc1O)C(=O)CNC Tox21_113112_1 -NCGC00018121-07 196717473 tox21-ror-cho-viability-p1 set2 4 -5.1836939 -5.33500809 -1.22249585 -1.4652978 -0.25259931 -0.29847285 -4.90418353 -3.23901352 -0.04918408 -0.70571102 -0.15733256 -0.53108706 0.56608931 -2.12990542 -2.48907526 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 603-00-9 4977 170465953 A Proxyphylline CC(O)Cn2cnc1c2C(=O)N(C)C(=O)N1C Tox21_110471_1 -NCGC00015227-08 196717476 tox21-ror-cho-viability-p1 set2 4 -0.07163476 -1.98088317 3.65508949 4.09146724 7.02178739 6.51286455 7.80972145 7.24709001 3.2185223 1.57201047 -1.67267785 0.15575106 3.67111969 1.77626072 3.84139389 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5502-69-2 60196361 170466889 C Dexchlorpheniramine hydrochloride Cl.Clc1ccc(cc1)[C@H](CCN(C)C)c2ccccn2 Tox21_113570_1 -NCGC00256073-01 196710026 tox21-ror-cho-viability-p1 set2 4 -6.3691973 -2.71284914 -6.4618121 -1.418322 -6.22556997 -2.26427754 -0.51931055 -3.32100404 1.07394742 -2.3166362 -1.85669205 1.11823433 -4.04643024 -1.56805034 -0.58224896 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5989-54-8 439250 144212612 F Fns (S)-Limonene CC1=CC[C@H](CC1)C(C)=C Tox21_302295 -NCGC00259081-01 196709611 tox21-ror-cho-viability-p1 set2 4 48.9036036319 -25.356609212 3.5 -21.856609212 2.7202212143 0.9413814553 0.0000201159 4.76569016 1.40000894 5.49506981 2.20259611 1.25023399 1.68405349 5.35761007 3.39167749 2.63503578 4.82697918 2.91166111 5.39394488 1.66602095 -6.31765653 -18.21384101 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.4829999999E-7 3.317E-7 7.417E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.00004146 0.000092709999999 39515-41-8 47326 144208729 A A Fenpropathrin CC3(C)C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C Tox21_201531 -NCGC00090704-03 196710022 tox21-ror-cho-viability-p1 set2 4 24.3365162115 11.5613779479 -1.5613779479 10 1.8079476909 0.7544485027 0.0245556157 1.33346155 -3.80114829 -2.09297932 -1.37350245 -2.14482412 -1.99127518 0.51203005 -1.28741595 -2.19176752 -1.87798917 0.50173485 -0.13303927 1.91592435 7.0171483 0.79082483 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00255974-01 196710023 tox21-ror-cho-viability-p1 set2 4 -3.02986622 -2.31518501 -1.08949512 -1.84067201 -3.11315676 1.06443831 -0.6366022 -2.9306223 -3.37009193 -1.10731398 0.86364932 -0.16327788 -2.60624012 -0.57990265 -1.72061169 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.000003688 0.000008248 0.00001844 0.00004124 0.000092209999999 144-49-0 5237 144212746 A A Fluoroacetic acid FCC(=O)O Tox21_302429 -NCGC00255805-01 196710029 tox21-ror-cho-viability-p1 set2 4 0.06394469 -0.22866388 -2.11178664 -4.50304675 -0.3854346 -4.56769985 -1.77584645 -5.20612202 1.42662858 -1.24327137 -3.19472338 2.47105346 1.74167833 -4.04373289 -4.2020805 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-23-0 8422 144211707 A A 2-Naphthoxyacetic acid O=C(O)COc1ccc2ccccc2c1 Tox21_301390 -NCGC00255950-01 196710850 tox21-ror-cho-viability-p1 set2 4 1.62688175 3.7633985 3.51175687 1.03870443 2.49771223 2.14537242 0 0.76306887 0.00326139 0.06716039 0.4999034 0.63796405 1.55525082 2.86129022 6.81706187 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15826-37-6 27503 144212320 A Z Cromolyn sodium [Na+].[Na+].[O-]C(=O)C=4Oc3cccc(OCC(O)COc1cccc2OC(=CC(=O)c12)C([O-])=O)c3C(=O)C=4 Tox21_302003 -NCGC00257541-01 196710856 tox21-ror-cho-viability-p1 set2 4 -2.95522102 -5.69355275 -6.05091741 -3.85087364 -0.40130953 -5.96297292 -7.67465457 -12.57874881 -1.07870038 -3.43287896 -6.53940386 -0.48507677 -2.29327247 -0.41309968 -1.79993126 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-08-3 7122 144212503 A A 2'-Acetonaphthone CC(=O)c1ccc2ccccc2c1 Tox21_302186 -NCGC00256997-01 196707764 tox21-ror-cho-viability-p1 set1 4 30.6378586933 15.0124907159 -10.0124907159 5 1.287561 0.6084365733 0.0913568995 -11.51129211 -6.96667453 -6.92600738 -6.69694653 -10.76982445 -11.19092043 -8.15905726 -11.02077938 -15.01040893 -10.57133676 -14.39049841 -4.13748264 -1.8820438 -5.13351251 3.98683635 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 558-37-2 11210 144213560 Fns 3,3-Dimethyl-1-butene C=CC(C)(C)C Tox21_303243 -NCGC00256992-01 196707754 tox21-ror-cho-viability-p1 set1 4 0.0030637859 -18.151580292 0.6358504 -17.515729892 0.5 0.7557251181 0.0235135158 -2.803458 -9.55373694 -12.2359634 -12.66525736 -11.45647917 -14.5079587 -13.27251236 -14.82009025 -18.64468766 -14.9586138 -18.05376149 -20.42977491 -19.09675652 -13.7729432 -10.78988194 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 993-16-8 101940 144213490 Ac Trichloromethylstannane C[Sn](Cl)(Cl)Cl Tox21_303173 -NCGC00256723-01 196707758 tox21-ror-cho-viability-p1 set1 4 0.0343762429 -9.95341942 -3.5 -13.45341942 1.21 0.4877179065 0.1897582637 -7.22542418 0.09832087 -5.16084607 -5.52232362 -10.26335319 -6.22361775 -13.92103293 -12.03915936 -21.21118285 -10.02548004 -17.15312696 -12.89055377 -17.53791668 -5.03466351 -12.23281809 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 644-35-9 12570 144212869 A B 2-Propylphenol Oc1ccccc1CCC Tox21_302552 -NCGC00257135-01 196707759 tox21-ror-cho-viability-p1 set1 4 1.33613091 1.42384022 0.66715992 1.64636302 0.77964755 0.61082922 1.71604813 8.3819053 -0.12920537 0.54531624 0.50049971 4.46519945 4.14072643 0.73680958 7.09379184 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2050-92-2 16316 144213607 F Fns N-pentylpentan-1-amine CCCCCNCCCCC Tox21_303290 -NCGC00257283-01 196708164 tox21-ror-cho-viability-p1 set1 4 -5.11152756 -0.16269417 -2.81732329 -5.31044937 -3.53865079 -2.0288889 -3.01759166 -0.54184962 -5.31692887 -9.15533626 -7.15829198 -3.22414264 -6.97653115 -6.05586985 -1.85793681 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 797-63-7 13109 144213960 A A Norgestrel O=C4CC[C@H]3C(CC[C@@H]2[C@@H]3CC[C@@]1(CC)[C@H]2CC[C@@]1(O)C#C)=C4 Tox21_303658 -NCGC00260059-01 196704027 tox21-ror-cho-viability-p1 set1 4 -2.5412393 0.42304644 -0.14663201 -0.71741413 -1.28667162 1.8624078 -0.50964944 -11.78112677 1.70977903 0.23311097 -0.85915338 -3.57859499 1.22908158 -0.91067064 0.06037481 1.25E-9 2.794E-9 6.248E-9 1.3969999999E-8 3.124E-8 6.986E-8 1.562E-7 3.493E-7 7.811E-7 0.0000017459999999 0.000003905 0.0000087319999999 0.00001953 0.000043659999999 0.000097629999999 64-17-5 702 144209708 FNS Ethanol CCO Tox21_202510 -NCGC00260276-01 196703617 tox21-ror-cho-viability-p1 set1 4 -1.15310553 -4.70166015 -1.2487579 -1.58847751 -10.87297869 -1.4090525 -9.26441981 -3.66290919 -6.26235279 -10.82259588 -0.69190711 -1.30843488 -2.84986143 -8.84764096 -4.580565 2.8939999999E-10 6.471E-10 1.4469999999E-9 3.2349999999E-9 7.235E-9 1.618E-8 3.617E-8 8.089E-8 1.8089999999E-7 4.0439999999E-7 9.043E-7 0.000002022 0.000004522 0.00001011 0.00002261 821-06-7 641245 144209926 Ac (E)-1,4-Dibromo-2-butene BrC\C=C\CBr Tox21_202728 -NCGC00357282-01 196703621 tox21-ror-cho-viability-p1 set1 4 0.216899429 12.735031908 -7.235031908 5.5 0.2 0.5499337414 0.138160717 -5.02179412 -4.16525812 -3.85719697 0.5997745 0.89064065 -5.61252659 -0.01793644 -0.13447728 0.83875053 -0.15501771 -0.19083234 0.14409312 0.85854661 1.11724038 5.39550481 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76014-81-8 104856 251919641 F 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol OC(CCCN(C)N=O)c1cccnc1 Tox21_303708 -NCGC00260347-01 196703628 tox21-ror-cho-viability-p1 set1 -2.1 48.3602777053 -115.780544587 1.0381318499 -114.7424127371 2.7202212143 0.9964645878 0 -1.39442496 1.24186669 0.36490523 -0.1777783 2.47043039 2.38571724 1.25116703 -0.1782382 2.54388223 1.66513743 -0.19660075 0.64916586 -2.89114551 -46.25755097 -97.07479927 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004107 0.00009184 130-61-0 66062 144209999 A A Thioridazine hydrochloride Cl.CN4CCCCC4CCN1c3ccccc3Sc2ccc(SC)cc12 Tox21_202801 -NCGC00091632-02 196704029 tox21-ror-cho-viability-p1 set1 4 27.3060203028 -15.999024608 0 -15.999024608 4.9549173134 0.7853646297 0.0146308465 0.34857133 2.56223855 1.04106561 -0.31593564 -3.34183341 1.27918106 -0.16424006 -1.72696547 -2.6391019 3.05294699 0.45315562 -3.3976725 0.83397054 -16.66585384 1.07987497 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00244580-01 196704036 tox21-ror-cho-viability-p1 set1 -2.2 43.2771256911 -36.674784312 1.5 -35.174784312 2.7202212143 0.9551638441 0.0000046311 -0.53990365 1.53526068 1.97492961 -0.96059589 -1.0027583 -1.43492654 3.92213972 2.53153555 0.45531541 4.92937536 2.70762579 0.76342841 0.72361984 -16.61002644 -30.56232026 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00357079-01 196704039 tox21-ror-cho-viability-p1 set1 4 -0.77317859 -5.94176317 -0.22314715 -1.50144772 1.1664947 -13.23225181 0.63408775 -8.14105305 -8.25066651 -11.03653573 -1.82292172 -22.18871051 -13.78973368 -0.87987622 0.86598937 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-31-7 7746 251919843 A Hex-1-yn-3-ol C#CC(O)CCC Tox21_303791 -NCGC00260305-01 196704050 tox21-ror-cho-viability-p1 set1 4 0.20972957 0.0021445 -0.13347129 -3.07112299 0.21638776 0.37123804 4.3060963 1.03464326 -2.37835462 1.86625725 4.06098129 -5.44333939 0.93170678 0.25054904 4.26742918 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.952E-8 6.6E-8 1.476E-7 3.3E-7 7.379E-7 0.0000016499999999 0.0000036889999999 0.0000082499999999 0.000018449999999 0.00004125 0.000092239999999 25321-09-9 11345 144209956 A B Diisopropylbenzene CC(C)c1ccccc1C(C)C Tox21_202758 -NCGC00163843-03 196704378 tox21-ror-cho-viability-p1 set1 4 0.61215075 -1.88166229 -1.5992192 -2.17055734 3.24750219 2.28588005 -0.62068625 -0.4059036 2.85758487 1.5759216 -3.91520668 4.4797114 0.94206673 2.24182705 -0.80159281 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00091080-03 196703970 tox21-ror-cho-viability-p1 set1 -2.4 7.6958821542 -30.464969372 1 -29.464969372 0.5999999999 0.9493045356 0.0000090976 -1.28716952 0.82445314 1.47357786 0.30448952 0 1.29059033 0.27480604 -5.82705572 -0.99760711 -10.54556784 -11.43663 -15.06712323 -15.18023068 -23.05629986 -23.72080781 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00024778-02 196704782 tox21-ror-cho-viability-p1 set1 4 2.3710137656 -3.7098256119 0 -3.7098256119 4.9549173134 0.3307659168 0.3435816737 -0.49932933 -0.66029946 -3.69674149 -1.27879602 -0.78193636 0.63217536 -1.03232176 4.95955291 0.86824216 -0.44764941 0.08597223 -6.00818801 0.25144538 -3.7891639 -4.89570274 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 90293-01-9 2377 170465900 A Bifemelane CNCCCCOc2ccccc2Cc1ccccc1 Tox21_110926_1 -NCGC00258734-01 196702738 tox21-ror-cho-viability-p1 set1 -3 60.8819825247 -81.6756504987 2.1945781785 -79.4810723202 4.9549173134 0.9838239373 1.39E-8 2.77954226 0.17456514 1.83085083 5.86435673 2.18505732 1.81093296 3.60884942 5.88536316 4.21536109 -3.58072911 -0.5669374 2.92482064 1.17826063 -7.45701777 -70.22307327 1.1759999999E-9 2.631E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.576E-8 1.471E-7 3.288E-7 7.3529999999E-7 0.0000016439999999 0.000003676 0.00000822 0.000018379999999 0.0000411 0.000091909999999 79-94-7 6618 144208380 A A 3,3',5,5'-Tetrabromobisphenol A Brc1cc(cc(Br)c1O)C(C)(C)c2cc(Br)c(O)c(Br)c2 Tox21_201182 -NCGC00257740-01 196702320 tox21-ror-cho-viability-p1 set1 4 0.0060509426 4.9171462279 -3.4171462279 1.5 4.9549173134 0.4827812284 0.1989903523 -0.81150556 -6.18095519 -0.50568563 -0.05260014 1.05817369 1.36284814 3.99269782 -0.42937303 0.20080065 0.58533244 1.05208443 3.49748681 1.09959655 3.49641422 -0.59740785 1.1699999999E-9 2.6159999999E-9 5.85E-9 1.3079999999E-8 2.925E-8 6.54E-8 1.462E-7 3.27E-7 7.3119999999E-7 0.000001635 0.000003656 0.000008176 0.00001828 0.00004088 0.00009141 25013-15-4 7529 144207384 AC F Vinyltoluene Cc1cccc(C=C)c1 Tox21_200186 -NCGC00258192-01 196702331 tox21-ror-cho-viability-p1 set1 -1.1 21.6458352432 -73.9360529839 -2.153310722 -76.0893637059 4.0949729863 0.9600118462 0.0000024445 3.67258527 0.69692561 0.37340312 0.84950583 -2.95879357 -0.68358938 -15.69997761 -8.55784254 -4.51963767 -2.8990572 1.9970121 2.59454293 -30.89025579 -68.07700758 -77.86052195 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.3169999999E-8 2.944E-8 6.583E-8 1.472E-7 3.2919999999E-7 7.3599999999E-7 0.0000016459999999 0.00000368 0.0000082289999999 0.000018399999999 0.00004115 0.000092 55-86-7 5935 144207836 FC Nitrogen mustard hydrochloride Cl.ClCCN(C)CCCl Tox21_200638 -NCGC00258191-01 196702730 tox21-ror-cho-viability-p1 set1 4 -1.19582691 -5.7832916 -6.35190635 -3.5505095 -4.25539979 -14.52662804 -5.97705617 -3.46421213 -0.07699828 -6.61158218 -1.57571394 -9.32708095 -3.91505934 -4.28226008 -2.33920176 1.167E-9 2.61E-9 5.837E-9 1.305E-8 2.918E-8 6.5259999999E-8 1.459E-7 3.2629999999E-7 7.296E-7 0.000001631 0.000003648 0.000008157 0.000018239999999 0.000040789999999 0.0000912 393-52-2 9808 144207835 D 2-Fluorobenzoyl chloride O=C(Cl)c1ccccc1F Tox21_200637 -NCGC00258258-01 196702748 tox21-ror-cho-viability-p1 set1 4 38.2180279848 -19.6697949001 -9.6116401879 -29.281435088 0.4 0.3881679372 0.2835855928 -6.34303349 -8.89943431 -15.96602105 -9.68135388 -11.29536367 -22.26050839 -11.23617741 -8.81394774 -15.66216608 -8.41655291 -14.3664332 -10.92232716 -20.11607792 -22.73452924 -22.20633024 1.171E-9 2.618E-9 5.854E-9 1.3089999999E-8 2.927E-8 6.545E-8 1.464E-7 3.2729999999E-7 7.3179999999E-7 0.0000016359999999 0.0000036589999999 0.000008182 0.00001829 0.000040909999999 0.000091469999999 20098-48-0 88365 144207902 A Ac 3,4,5-Trichloronitrobenzene Clc1cc(cc(Cl)c1Cl)[N+]([O-])=O Tox21_200704 -NCGC00257816-01 196702749 tox21-ror-cho-viability-p1 set1 4 4.46612054 5.01671305 3.94851346 3.25597945 -0.1729535 -0.0693509 5.53275064 0.63030685 4.26343386 2.71139607 4.01789652 -6.73723603 2.89662659 3.77199344 4.28441852 1.2009999999E-9 2.6849999999E-9 6.0029999999E-9 1.3419999999E-8 3.002E-8 6.712E-8 1.501E-7 3.356E-7 7.5039999999E-7 0.0000016779999999 0.0000037519999999 0.00000839 0.00001876 0.00004195 0.000093799999999 5834-17-3 22086 144207460 A A 2-Methoxy-3-aminodibenzofuran COc1cc2c3ccccc3oc2cc1N Tox21_200262 -NCGC00260610-01 196703145 tox21-ror-cho-viability-p1 set1 4 0.28593285 2.50299169 2.40992389 -4.88110257 0.17665093 -5.54226261 -10.75698205 -0.22336809 -0.11610283 -0.27403197 0.14284312 1.42264983 -0.76424251 -0.05335062 -5.54097369 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49506 144210263 M M NTP Mix13 AR1 8-EQC Tox21_203065 -NCGC00090962-05 196703161 tox21-ror-cho-viability-p1 set1 4 -0.45073707 -1.39538686 4.11761196 -1.14891996 4.26633162 0.5775967 -1.41328469 0.31400215 0.44053423 -0.06880388 0.18431561 -0.12102646 -1.11660292 -2.86732389 -5.03572722 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00357033-01 196703165 tox21-ror-cho-viability-p1 set1 4 30.6378586933 10.693050008 -2.693050008 8 1.17051 0.5131646009 0.1684010293 -3.15455641 -2.62892779 -5.62360062 0.57587098 1.32780243 -5.61485377 -2.12852977 -3.2959759 -7.24420834 2.06520797 -2.44466165 -2.21029452 2.30288375 2.64744026 5.84634747 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-34-2 8108 251919853 Fns Butyl vinyl ether C=COCCCC Tox21_303721 -NCGC00357108-01 196703564 tox21-ror-cho-viability-p1 set1 4 1.9556126 -0.14779851 -0.95240916 -8.94370925 -3.63889401 -3.28856953 4.41123378 3.61550167 6.13793965 0.15341004 0.57633741 -2.86382437 -5.04120212 -0.42566448 6.74901859 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2426-54-2 17050 251919889 A 2-(Diethylamino)ethyl acrylate O=C(C=C)OCCN(CC)CC Tox21_303835 -NCGC00256621-01 196727415 tox21-ror-cho-viability-p1 set3 4 3.27671518 -7.38067762 0.42571995 -6.24232357 3.6107829 0 0 -9.79808507 0 -1.03993094 0 -4.92242993 -3.81092965 -0.58026722 -6.73490449 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2459-10-1 17159 144212766 A A Trimethyl benzene-1,2,4-tricarboxylate COC(=O)c1cc(ccc1C(=O)OC)C(=O)OC Tox21_302449 -NCGC00257505-01 196727419 tox21-ror-cho-viability-p1 set3 2.2 61.130564862 54.7068948783 0.87360334 55.5804982183 2.8472712143 0.9287153478 0.0000566161 7.63429264 2.56773012 4.59859616 1.43113449 2.22624027 1.87167022 1.15245842 -5.10533055 -2.54589512 -1.4125302 -2.52418705 1.18683631 1.74419502 13.91043985 42.66712798 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 113-92-8 5284366 144213766 A A Chlorpheniramine maleate [O-]C(=O)\C=C/C(=O)O.Clc1ccc(cc1)C(CC[NH+](C)C)c2ccccn2 Tox21_303456 -NCGC00256564-01 196727007 tox21-ror-cho-viability-p1 set3 4 0.0017228934 -8.8633517279 7 -1.8633517279 0.5 0.3447451581 0.3452401501 4.43103593 1.0076819 0.18033849 2.58745434 -4.00312026 -0.018618 0.93555375 1.47786307 -3.1351031 -2.48761873 1.16924326 -6.13612644 -2.91870119 -0.18426035 3.80192166 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 150-78-7 9016 144213099 A Ac Hydroquinone dimethyl ether COc1ccc(OC)cc1 Tox21_302782 -NCGC00256857-01 196727411 tox21-ror-cho-viability-p1 set3 4 1.17639224 0.98029833 2.87637785 -0.64463854 -1.17689478 -0.25299944 -0.29333006 1.65313329 0.56184585 2.80412165 -0.17889135 -0.50353652 1.957501 -1.59610014 0.62871434 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13481-87-3 61631 144212876 A F Methyl 3-nonenoate O=C(CC=CCCCCC)OC Tox21_302559 -NCGC00257237-01 196727421 tox21-ror-cho-viability-p1 set3 4 6.28064165 -0.3368207 3.98425433 1.65543009 2.74715133 2.2278394 3.62949448 3.63993324 -1.43530468 2.2828438 -2.05584341 0.07042417 2.06627169 -0.09211031 2.21024852 8.788E-10 1.965E-9 4.394E-9 9.826E-9 2.1969999999E-8 4.913E-8 1.099E-7 2.456E-7 5.493E-7 0.000001228 0.000002746 0.000006141 0.000013729999999 0.00003071 0.00006866 78491-02-8 62277 144213680 F F Diazolidinyl urea OCN1C(=O)N(CO)C(=O)C1N(CO)C(=O)NCO Tox21_303365 -NCGC00256244-01 196727825 tox21-ror-cho-viability-p1 set3 4 4.8557733675 16.89613278 -2.89613278 14 4.9549173134 0.6678185977 0.064624449 2.60586013 -4.13664169 -2.57366615 -2.39407021 -7.65079105 9.3210566 -7.43711043 0.15458802 -4.95939502 -10.33011065 -0.05481248 15.47624779 11.67691105 13.88556989 2.13908241 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16215-21-7 85335 144211966 F A Butyl 3-mercaptopropionate CCCCOC(=O)CCS Tox21_301649 -NCGC00255676-01 196727826 tox21-ror-cho-viability-p1 set3 4 0.6508386 -1.81342341 -3.13001947 -9.0430878 9.54284283 -4.40063191 -8.57199379 3.4421392 -4.28025999 2.3457205 5.56822016 -0.69891155 -3.77023077 4.74299235 5.5008737 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 140-39-6 8797 144212667 A A 4-Tolyl acetate O=C(C)Oc1ccc(C)cc1 Tox21_302350 -NCGC00256079-01 196727828 tox21-ror-cho-viability-p1 set3 4 -3.55466346 2.28272564 0.06259512 7.73730011 -0.61630654 -1.48661245 0.69373292 1.80292928 1.46368094 5.90810518 -2.8691454 -2.99849648 -5.07179267 -1.51456396 1.18980439 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1561-92-8 23663624 144212034 A Sodium 2-methylprop-2-ene-1-sulfonate [Na+].C=C(C)CS([O-])(=O)=O Tox21_301717 -NCGC00255349-01 196727830 tox21-ror-cho-viability-p1 set3 -2.2 12.1971512362 -36.197391667 1.307890037 -34.88950163 1.21 0.8966075228 0.0003803052 -2.38886474 0.34918875 7.79090378 -0.55219987 -2.22479924 -0.07576512 -0.32762247 11.33779784 -2.85888528 -1.11875383 -5.98524587 -11.39172071 -24.29515199 -24.77221646 -32.50440142 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 481-72-1 10207 144212717 A A Aloe-emodin Oc3cccc2C(=O)c1cc(cc(O)c1C(=O)c23)CO Tox21_302400 -NCGC00255807-01 196727834 tox21-ror-cho-viability-p1 set3 4 -0.21495166 -1.83575438 -2.20151311 -4.9483834 0.217999 -2.86548128 1.11279286 -8.24450369 -0.20388637 -3.31729727 -1.94171436 -7.44978172 -0.06605866 -0.09589215 2.91520299 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 132739-31-2 164333 144211662 Z F Di(propylene glycol) tert-butyl ether OCCCOC(C)COC(C)(C)C Tox21_301345 -NCGC00255650-01 196727840 tox21-ror-cho-viability-p1 set3 4 0.50778988 3.80061327 0.21202658 0.29999072 -2.4817145 -6.23244 4.90724689 2.51489394 -3.30074213 -6.83458983 -5.2568195 8.19619879 9.89161713 -0.92364839 2.97336477 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5251-93-4 21322 144212200 A A Benzadox O=C(NOCC(=O)O)c1ccccc1 Tox21_301883 -NCGC00255821-01 196727843 tox21-ror-cho-viability-p1 set3 4 -0.57741167 4.75537867 1.75386197 -1.22683853 3.3277327 0.6195336 2.51268712 0.16529642 -0.00755665 2.27596863 3.64317697 -1.29938942 -0.16650948 0.10397781 2.04349961 1.183E-9 2.6459999999E-9 5.916E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3069999999E-7 7.395E-7 0.0000016539999999 0.0000036979999999 0.000008268 0.000018489999999 0.00004134 0.000092439999999 131-08-8 23661981 144211792 A Ac Sodium 9,10-dioxo-9,10-dihydroanthracene-2-sulfonate [Na+].[O-]S(=O)(=O)c2ccc3C(=O)c1ccccc1C(=O)c3c2 Tox21_301475 -NCGC00255231-01 196728244 tox21-ror-cho-viability-p1 set3 4 2.15789435 -3.10863223 2.71831546 -3.96378689 2.9519539 -1.10311094 1.80897732 -1.29121717 1.89305896 0.89372296 2.24202651 -1.80225959 2.6514309 -1.92567308 -3.61501621 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1335-46-2 5371084 144211782 B Fns Methylionone CC1(C)CCC=C(C)C1/C=C/C(=O)CC Tox21_301465 -NCGC00357248-01 196712109 tox21-ror-cho-viability-p1 set2 2.4 43.2771256911 24.797967404 3.202032596 28 0.7 0.7369548198 0.0237335943 -0.24830617 0.27797745 3.41876388 5.69908725 4.03416888 7.02395714 5.58067148 6.77878473 9.86866902 0.84060179 7.47795797 9.36457946 8.77995535 15.2541621 20.9673502 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 874-90-8 70129 251919964 A 4-Anisonitrile COc1ccc(C#N)cc1 Tox21_304041 -NCGC00357057-01 196711689 tox21-ror-cho-viability-p1 set2 4 19.3311819617 -29.4900900199 -1 -30.4900900199 0.3 0.453115181 0.2210844135 -1.68822103 -1.05809927 -2.44695826 -4.7576275 -3.63726981 -6.97173781 -14.22421416 0 -19.12283731 -7.01680389 -11.6792046 0 -25.40840835 -14.58471058 -22.92076496 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 31482-56-1 92278 251919895 A C.I. Disperse Orange 25 [O-][N+](=O)c1ccc(cc1)/N=N/c2ccc(cc2)N(CCC#N)CC Tox21_303759 -NCGC00357147-01 196712092 tox21-ror-cho-viability-p1 set2 2.4 76.9588215421 30.416216524 1.583783476 32 4.9549173134 0.7548828513 0.0181038436 -2.79581508 4.89572752 5.97510429 3.05580353 5.03793039 -0.60996651 5.62502407 2.98197154 -3.26351377 -1.68016006 -1.53174794 5.09483772 1.5915522 1.52994876 23.78488924 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-80-1 7529 251919644 Ac 3-Methylstyrene Cc1cccc(C=C)c1 Tox21_303890 -NCGC00260455-01 196712102 tox21-ror-cho-viability-p1 set2 4 -0.55189219 -0.41504931 0.86706215 0.77722656 -0.54993466 0.47168264 -1.04138452 2.52687232 -7.61785084 1.28110519 0.36471197 3.94417804 -23.58710828 0.51136373 -11.62227903 1.19E-9 2.661E-9 5.951E-9 1.331E-8 2.975E-8 6.653E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.000003719 0.000008317 0.0000186 0.00004158 0.00009298 2835-97-4 3014138 144210107 A B 2-Amino-m-cresol Cc1cccc(O)c1N Tox21_202909 -NCGC00356972-01 196712111 tox21-ror-cho-viability-p1 set2 2.4 8.6349217992 23.257803876 -1.257803876 22 0.3 0.8122707475 0.0061291464 -1.88150323 2.58497634 -1.59857392 3.34336574 3.6128761 2.941345 3.34021035 9.22642771 6.85566427 6.39085608 8.26827125 6.12527297 9.41730022 14.71148762 17.28806727 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-98-8 880 251919647 F Methyl glyoxal O=CC(C)=O Tox21_303931 -NCGC00241107-02 196712507 tox21-ror-cho-viability-p1 set2 -2.4 29.8492948118 -34.736286196 1.5 -33.236286196 2.0437424601 0.7832439947 0.0110954968 6.63438349 10.69327202 7.12174892 -0.96218544 -0.5771388 -0.01308782 -2.47494028 0.75114999 0.57204727 -0.47968798 0.23313724 -0.73073447 -3.13604131 -7.73956194 -24.36357183 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 918639-10-8 46780884 170466788 A Bosutinib CO.COc4cc(Nc3c(C#N)cnc2cc(OCCCN1CCN(C)CC1)c(OC)cc23)c(Cl)cc4Cl Tox21_113600_1 -NCGC00016280-07 196712511 tox21-ror-cho-viability-p1 set2 4 1.27001296 7.32459057 -2.8088861 2.24334012 -1.38214194 -0.87366827 7.43617563 2.00359843 0.82398645 -2.11868689 0.54102343 -4.3253513 -1.40569228 -0.51091879 -2.9604712 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61-80-3 6103 170466122 A Zoxazolamine Clc1cc2nc(N)oc2cc1 Tox21_110346_1 -NCGC00163919-02 196712514 tox21-ror-cho-viability-p1 set2 4 -0.2850896 -6.12592869 -0.67176416 -1.40795115 0.35352262 -0.48172843 -0.37589335 0.22287109 -4.88397364 1.197663 0.4432002 -0.44609789 -0.40401542 -1.31565597 -1.01517258 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00160458-02 196712523 tox21-ror-cho-viability-p1 set2 4 0.0188336318 -16.7202539359 14.5 -2.2202539359 0.6999999999 0.9179415765 0.0001188145 12.93003223 12.42698745 12.01568716 9.79391738 2.74357967 7.47239057 2.51981082 0.05092127 -0.31549146 -1.15104251 0.20912677 -4.76687828 -0.64619045 -1.94880088 -2.33160431 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71475-35-9 68907 170466406 A Lozilurea Clc1cc(CNC(=O)NCC)ccc1 Tox21_111828_1 -NCGC00256796-01 196707952 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -24.1973252759 2 -22.1973252759 4.9549173134 0.852429335 0.0021139166 4.59369339 0.92813693 1.15286573 0.79755341 0.29729979 2.7732633 5.16622579 5.22546624 0.27849405 2.1466027 -0.77207172 0.71144344 1.41657357 1.60163127 -15.16443773 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 29461-14-1 86287524 144212787 FC Isolongifolanone CC3(C)C1CC2(CC1)[C@H]3C(=O)CCC2(C)C Tox21_302470 -NCGC00256919-01 196707554 tox21-ror-cho-viability-p1 set1 4 5.08066951 1.62958677 1.55824173 1.83806284 -1.04053963 1.38238531 0.88507676 3.21053132 -0.55604177 0.4571731 1.07672542 1.94900568 0.81232685 -0.18693255 2.76270913 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-52-6 7658 144212924 A Ac 2-Phenylethyl butanoate CCCC(=O)OCCc1ccccc1 Tox21_302607 -NCGC00256420-01 196707557 tox21-ror-cho-viability-p1 set1 4 -4.8542966 -18.97238173 -8.33997646 -16.4950463 -19.08480743 -20.22327489 -13.91444066 -7.95451251 -24.38283367 -16.21562026 -19.46488107 -10.06499078 -12.57008275 -8.83227077 -14.28628783 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.0000037229999999 0.000008326 0.00001862 0.00004163 0.00009309 110-93-0 9862 144213216 Fc 6-Methyl-5-hepten-2-one C/C(C)=C\CCC(C)=O Tox21_302899 -NCGC00256873-01 196707559 tox21-ror-cho-viability-p1 set1 4 2.61870073 0.73932591 2.82877737 2.20388501 1.79715513 -0.08655779 5.58676749 -1.27207306 0.15615802 0.43307726 0.83303053 0.31121962 2.58252874 -2.71545593 2.31161601 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4994-16-5 21096 144212833 A Ac 4-Phenyl-1-cyclohexene c1cc(ccc1)C2CC=CCC2 Tox21_302516 -NCGC00259039-01 196705691 tox21-ror-cho-viability-p1 set1 4 2.78913775 5.23500894 4.99882701 4.27027182 -0.92883553 1.86416925 -0.25721489 1.64835313 -2.32398201 10.28342655 -1.61079228 1.35807492 2.80358336 2.38426802 0.05047423 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 111-82-0 8139 144208686 AC Fns Methyl dodecanoate O=C(CCCCCCCCCCC)OC Tox21_201488 -NCGC00015358-18 196705291 tox21-ror-cho-viability-p1 set1 4 29.8492948118 7.152603452 -0.152603452 7 4.9549173134 0.3942320333 0.28196318 -0.01208622 -0.59844504 -1.14495694 -0.5978813 3.70927224 -0.08929907 -4.29383621 -1.38149612 -0.77336386 4.21266511 0.4651556 -0.03401726 -3.19843618 1.17202028 6.31238668 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3737-09-5 3114 170464947 A Disopyramide CC(C)N(CCC(c1ccccn1)(c2ccccc2)C(N)=O)C(C)C Tox21_110727_1 -NCGC00183831-01 196705294 tox21-ror-cho-viability-p1 set1 4 -2.35947175 -4.83691688 -1.99835721 0.62413254 -2.69648155 0.52690528 -1.22478781 0.27954214 0.27812063 -1.11741059 -2.07409961 -0.01943244 -1.05961384 -5.17740905 -9.26539176 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 642-83-1 688576 144206883 A D Aceglatone O=C1O[C@H]2[C@@H](OC(C)=O)C(=O)O[C@H]2[C@@H]1OC(C)=O Tox21_113332 -NCGC00259742-01 196705699 tox21-ror-cho-viability-p1 set1 4 0.1588775098 9.55463166 -10.05463166 -0.5 0.7999999999 0.5703883834 0.1196277231 -11.56137127 -4.5841278 -11.16277184 -11.71219305 -8.85756891 -2.94323101 -8.3631719 -1.34045581 -3.58776153 -6.99278119 4.21445285 1.1571129 1.22149201 -2.33353281 -3.53089397 1.214E-9 2.7139999999E-9 6.0679999999E-9 1.357E-8 3.034E-8 6.7839999999E-8 1.517E-7 3.3919999999E-7 7.5849999999E-7 0.000001696 0.000003793 0.0000084809999999 0.00001896 0.000042399999999 0.000094819999999 110-16-7 444266 144209391 A A Maleic acid O=C(O)/C=C\C(=O)O Tox21_202193 -NCGC00259302-01 196705701 tox21-ror-cho-viability-p1 set1 -3 69.2877332643 -52.3276325759 1.5217238539 -50.805908722 4.9549173134 0.8882272781 0.0005586309 4.20153481 8.45916244 -1.69702455 4.96339881 4.09000942 1.46629386 1.98528289 3.77172493 -9.06909195 -0.0924395 -0.7313771 2.16473843 0.96443096 -0.66294615 -41.10636048 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.6509999999E-8 1.487E-7 3.325E-7 7.436E-7 0.000001663 0.000003718 0.000008313 0.00001859 0.00004157 0.000092939999999 510-15-6 10522 144208951 A A Chlorobenzilate OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(=O)OCC Tox21_201753 -NCGC00258842-01 196705704 tox21-ror-cho-viability-p1 set1 4 -14.59146052 -12.75101923 -15.16943713 -16.02033474 -6.53265825 -10.71774503 -8.52807376 -10.33436772 -11.54306851 -14.70283127 2.74073682 -16.38231118 -11.46493872 -17.51060614 -4.25574641 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.0000036909999999 0.000008252 0.000018449999999 0.000041259999999 0.00009226 98-07-7 7367 144208488 D Benzotrichloride ClC(Cl)(Cl)c1ccccc1 Tox21_201290 -NCGC00254754-01 196699913 tox21-ror-cho-viability-p1 set1 4 -0.93641031 -0.41818247 -1.00692613 -4.08094257 -9.48844861 0.91205507 -1.98400411 -0.28986867 -0.05140421 0.38880027 -3.57209825 -8.85747289 -5.27890878 -1.9907427 0.28261825 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3337-71-1 18752 144211168 D Asulam Nc1ccc(cc1)S(=O)(=O)NC(=O)OC Tox21_300851 -NCGC00090885-03 196699478 tox21-ror-cho-viability-p1 set1 4 8.6349217992 4.3023932279 -1.8023932279 2.5 3.9899729863 0.3770937984 0.3154253515 -0.65426712 -4.83532769 -1.89930293 -2.06017223 0.95439206 -0.29755608 -2.03369972 -2.12215968 -3.25271818 -3.35707814 -1.12621119 -0.54262366 6.67623601 -1.18113399 -2.19004079 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00168342-02 196699483 tox21-ror-cho-viability-p1 set1 4 -0.18529803 -0.29298637 -0.71091777 -8.25877043 -6.10321677 -3.51810141 1.02205772 -8.00972494 3.70743683 -13.56450503 -2.65606314 -3.48524622 -0.15044112 0.46972242 -15.63289815 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00253963-01 196699485 tox21-ror-cho-viability-p1 set1 4 -0.20652867 2.28940681 0.53836067 3.09332338 -0.50799274 0.30081629 -0.67747976 0.79909215 1.94513337 -1.38790499 -4.77350918 1.14239044 1.90028685 0.46303608 0.95779595 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-96-6 8150 144210397 F Bis(2-methoxyethyl) ether COCCOCCOC Tox21_300077 -NCGC00164127-03 196700310 tox21-ror-cho-viability-p1 set1 -2.1 61.130564862 -114.3507857362 1.356306499 -112.9944792372 2.6384283767 0.9942281255 0 1.58663913 2.8469837 0.57012125 -0.04252954 2.36252816 2.45462613 2.4284247 0.76980572 1.06234639 5.8350568 0.47057079 -0.5710825 -6.34699603 -27.78406585 -85.60187821 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00255402-01 196700315 tox21-ror-cho-viability-p1 set1 4 -0.48795879 -3.79841173 -5.91483454 -2.22745808 -4.2556627 1.08678723 -2.43383456 -1.69740184 0.01947864 -2.23797071 1.75840175 -3.26908157 -2.51688588 -1.14697641 -2.61694392 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 29457-72-5 23677927 144212636 Lithium perfluorooctane sulfonate [Li+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_302319 -NCGC00016337-05 196704399 tox21-ror-cho-viability-p1 set1 4 -2.74498287 -0.24455084 1.157554 -0.28050596 -2.76259384 -2.675846 -2.4151189 -1.89711545 -3.15572041 -1.54122804 -2.67487352 -0.93657158 0.54683579 -1.37047457 1.45019798 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 85-73-4 4806 170466178 A Phthalylsulfathiazole O=S(=O)(Nc1nccs1)c3ccc(NC(=O)c2ccccc2C(=O)O)cc3 Tox21_110380_1 -NCGC00159417-06 196704810 tox21-ror-cho-viability-p1 set1 -2.1 62.5631710251 -95.0836328462 -2.1842397449 -97.2678725911 2.9022712143 0.9674641449 7.685E-7 -7.31883492 -5.48516344 -0.17502469 -3.51915026 -1.13764387 -0.5847261 -1.30595321 0.74388633 1.26067579 -5.61552491 0.63584005 -0.92641659 -13.3403207 -21.5051082 -75.58172166 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00091835-10 196704812 tox21-ror-cho-viability-p1 set1 -2.1 13.3331902297 -81.2319022981 1.0877751205 -80.1441271776 2.7202212143 0.9911911542 4E-10 1.65457556 1.38316881 3.40051267 -0.7103577 -0.76493847 2.06060087 -0.51653979 4.76103178 0.31309296 1.69141675 3.11694847 -4.48751558 -22.34845537 -59.43959488 -83.48346581 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55-86-7 5935 170465017 Z Chlormethine Cl.ClCCN(C)CCCl Tox21_111170_1 -NCGC00179312-03 196704815 tox21-ror-cho-viability-p1 set1 4 -0.23308712 1.4528859 0.69426478 -0.27057605 0.24442144 1.97998624 0.99674429 1.09268301 -6.4961125 2.01507172 -0.38073417 2.41022622 0.89475096 1.82551496 5.01648272 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 742-20-1 2904 170466046 A Cyclopenthiazide NS(=O)(=O)c3cc1c(NC(NS1(=O)=O)CC2CCCC2)cc3Cl Tox21_110481_1 -NCGC00021146-09 196704821 tox21-ror-cho-viability-p1 set1 4 0.90271601 -0.96005345 -0.8048542 -0.12428802 1.62261275 0.46514098 -1.99958828 -0.24313965 -2.60765061 2.15419787 0.58678436 9.00093348 0.07175103 -0.94217308 -2.17743226 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 74050-98-9 3822 170466645 A Ketanserin Fc1ccc(cc1)C(=O)C4CCN(CCN2C(=O)c3ccccc3NC2=O)CC4 Tox21_110865_1 -NCGC00255313-01 196700257 tox21-ror-cho-viability-p1 set1 4 -0.21520039 -1.22434027 -0.54607821 -0.64985703 -0.02142725 0.06470846 -0.99690445 -0.23781575 6.07185562 6.68681695 1.44488516 2.80554021 -0.97161604 4.32850666 -0.62555922 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 540-88-5 10908 144211625 F tert-Butyl acetate CC(=O)OC(C)(C)C Tox21_301308 -NCGC00254042-01 196699846 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -15.634578772 2 -13.634578772 4.9549173134 0.8049983644 0.0072933419 -1.46870083 2.22100742 1.19143558 2.65194875 3.74105876 1.01650522 3.245242 0.46338896 1.55437434 1.20193241 -0.57529545 3.10335049 2.82162233 3.04069161 -10.94548231 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-72-5 6984 144210367 A Ac 2-(Butan-2-yl)phenol Oc1ccccc1C(C)CC Tox21_300047 -NCGC00253925-01 196699861 tox21-ror-cho-viability-p1 set1 4 -2.84996767 0.85487867 0.6533683 1.13622086 -1.95426831 -0.67161942 -1.82435278 -4.34905468 -0.24955008 1.94275216 1.24683072 1.03281076 0.49444669 -3.09110556 -6.44247701 3.598E-10 8.046E-10 1.7989999999E-9 4.023E-9 8.9949999999E-9 2.011E-8 4.4979999999E-8 1.0059999999E-7 2.2489999999E-7 5.029E-7 0.000001124 0.0000025139999999 0.000005622 0.00001257 0.000028109999999 1401-55-4 16129778 144210399 Tannic acid OC1=CC(=CC(O)=C1O)C(=O)OC1=CC(=CC(O)=C1O)C(=O)OC[C@H]1O[C@@H](OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)[C@H](OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)[C@@H](OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)[C@@H]1OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1 Tox21_300079 -NCGC00256263-01 196700256 tox21-ror-cho-viability-p1 set1 4 0.69866238 1.24359573 6.83706875 4.43188781 1.51390434 0.08524985 4.53967891 0.64839538 4.31195412 -1.48462487 0.20039844 -0.51987807 0.16418226 -0.32866261 7.66561694 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2082-81-7 16387 144211998 Z Z Butane-1,4-diyl bis(2-methylprop-2-enoate) O=C(OCCCCOC(=O)C(=C)C)C(=C)C Tox21_301681 -NCGC00256092-01 196700272 tox21-ror-cho-viability-p1 set1 4 0.0076958822 -7.0936991839 0 -7.0936991839 4.9549173134 0.3215788375 0.3478686065 0.46795004 -1.76619913 0.78229069 -14.24474932 -5.15377586 -1.20706549 -12.6612843 -4.84961465 -2.13929305 -7.10104333 -2.55343854 -8.48395164 -11.56867506 -5.43752778 -11.70012454 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55066-48-3 108312 144211577 A A 3-Methyl-5-phenylpentan-1-ol CC(CCc1ccccc1)CCO Tox21_301260 -NCGC00255930-01 196700274 tox21-ror-cho-viability-p1 set1 4 15.3553036427 11.1629948841 0.3370051159 11.5 3.0654483358 0.8256141465 0.0066113922 2.01408747 -0.85931268 -2.63582907 1.98425621 1.74476585 0.13001592 0.13856362 0.07251002 1.16529785 2.71974217 0.78377684 0.28042081 8.15257353 10.48887941 -3.65565253 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 116-66-5 67005 144212554 A A 1,1,3,3,5-Pentamethyl-4,6-dinitro-2,3-dihydro-1H-indene [O-][N+](=O)c1cc2c(c(c1C)[N+]([O-])=O)C(C)(C)CC2(C)C Tox21_302237 -NCGC00258619-01 196730004 tox21-ror-cho-viability-p1 set3 4 -0.29535425 -1.2734857 1.22503448 0.92487427 2.71917622 -0.26608831 0.03373547 1.43856461 -0.92606984 0.14696498 2.86582884 0.71383175 -1.79918208 -3.62056163 -2.95864176 1.167E-9 2.61E-9 5.836E-9 1.305E-8 2.918E-8 6.524E-8 1.459E-7 3.262E-7 7.294E-7 0.000001631 0.0000036469999999 0.0000081549999999 0.000018239999999 0.00004078 0.00009118 112-24-3 5565 144208264 Triethylenetetramine NCCNCCNCCN Tox21_201066 -NCGC00258100-01 196730324 tox21-ror-cho-viability-p1 set3 -2.1 61.5659893405 -103.3879759969 -1.0756214699 -104.4635974668 2.5884283767 0.9871863216 3.6E-9 -7.62473421 -0.09176945 1.61712571 0.34857806 0.32974427 -4.71826833 -0.33894385 0.44688297 -0.38658236 0.02002797 -1.78581273 -0.24265292 -6.20989961 -27.54841811 -79.13908899 1.187E-9 2.6549999999E-9 5.936E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.3189999999E-7 7.42E-7 0.000001659 0.0000037099999999 0.0000082959999999 0.00001855 0.000041479999999 0.00009276 2664-60-0 17569 144207744 A A Dodecylparaben Oc1ccc(cc1)C(=O)OCCCCCCCCCCCC Tox21_200546 -NCGC00066947-05 196730405 tox21-ror-cho-viability-p1 set3 4 5.4601963 3.66463822 6.53913862 -0.24559751 -1.95116415 2.61312026 -0.4217873 -0.0346452 2.20878594 3.19098794 2.7748382 1.04727141 -0.267554 0.02586261 3.09764879 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00258111-01 196730002 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -26.366885632 1.5 -24.866885632 4.9549173134 0.926410754 0.0000677092 -1.92487193 0.10242863 2.52142305 2.98596565 1.10886913 3.33961435 1.33071175 1.71689813 2.52562804 2.46538056 0.20695291 2.34666613 0.55595698 1.11416129 -17.38907136 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.000003688 0.000008248 0.00001844 0.00004124 0.000092209999999 79-95-8 6619 144207755 A A 2,2',6,6'-Tetrachlorobisphenol A Clc1cc(cc(Cl)c1O)C(C)(C)c2cc(Cl)c(O)c(Cl)c2 Tox21_200557 -NCGC00258062-01 196730398 tox21-ror-cho-viability-p1 set3 4 -5.47240497 -5.84953253 -7.83948141 -1.78675374 -4.67448578 -2.71739002 -5.1426836 -2.59330106 -6.81045647 -0.37470182 -1.75340664 -1.84288223 -2.0763151 -2.21161858 -1.98967485 1.183E-9 2.644E-9 5.913E-9 1.322E-8 2.9559999999E-8 6.611E-8 1.4779999999E-7 3.305E-7 7.3909999999E-7 0.0000016529999999 0.0000036949999999 0.000008263 0.00001848 0.00004132 0.00009239 613-50-3 11945 144207706 A A 6-Nitroquinoline [O-][N+](=O)c1ccc2ncccc2c1 Tox21_200508 -NCGC00258544-01 196730406 tox21-ror-cho-viability-p1 set3 4 26.5027163452 -12.663029712 -1 -13.663029712 4.9549173134 0.6904497219 0.0427435623 -1.99887066 -1.08491094 0.30415852 0.88667372 -3.09489279 -1.06364263 -1.77774231 0.4779841 -1.09244555 -0.13087558 -0.26204484 -6.1271675 3.25390578 -16.80252476 -9.96715482 1.1509999999E-9 2.573E-9 5.753E-9 1.2859999999E-8 2.876E-8 6.432E-8 1.438E-7 3.2159999999E-7 7.1909999999E-7 0.000001608 0.000003596 0.00000804 0.00001798 0.0000402 0.00008989 1187-42-4 2723951 144208189 Diaminomaleonitrile N#CC(\N)=C(\N)C#N Tox21_200991 -NCGC00257963-01 196730411 tox21-ror-cho-viability-p1 set3 4 0.52487007 2.49004797 -0.33737754 -1.28792229 1.16158538 0.50268536 2.1044218 -0.12538506 0.35250803 -0.44537654 -1.17656082 -0.62932675 1.93746946 0.85896429 -2.58133845 1.196E-9 2.674E-9 5.9789999999E-9 1.337E-8 2.989E-8 6.684E-8 1.4949999999E-7 3.3419999999E-7 7.4729999999E-7 0.000001671 0.000003737 0.000008355 0.000018679999999 0.000041779999999 0.000093409999999 121-91-5 8496 144207607 A A 1,3-Benzenedicarboxylic acid OC(=O)c1cccc(c1)C(=O)O Tox21_200409 -NCGC00258535-01 196730420 tox21-ror-cho-viability-p1 set3 4 2.1844437339 -10.6209922759 0.5 -10.1209922759 4.9549173134 0.4826378735 0.2109538399 -1.45659574 2.31930075 0.69999394 0.35749868 -0.22286097 -1.89868624 0.65777825 1.30018038 -0.16537788 -0.51149127 -13.70927715 -22.18416023 -5.08766723 0.35752232 -4.7650396 1.187E-9 2.6549999999E-9 5.937E-9 1.3279999999E-8 2.968E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.421E-7 0.000001659 0.0000037109999999 0.000008297 0.00001855 0.00004149 0.00009276 111-18-2 8097 144208180 BC Fns N,N,N',N`-Tetramethylhexanediamine CN(C)CCCCCCN(C)C Tox21_200982 -NCGC00259330-01 196708798 tox21-ror-cho-viability-p1 set2 4 26.7239175515 10.56616158 -1.56616158 9 0.4 0.4655950354 0.2124145728 -0.30272411 -3.18996593 -5.05513465 -1.8888794 4.96648709 -0.39574351 0.20590114 -0.85137819 -1.02451312 0.47628756 2.9163436 -0.35392848 6.26491043 3.20932367 5.1381599 1.159E-9 2.591E-9 5.793E-9 1.2949999999E-8 2.8969999999E-8 6.4769999999E-8 1.448E-7 3.239E-7 7.2419999999E-7 0.0000016189999999 0.0000036209999999 0.000008096 0.0000181 0.000040479999999 0.00009052 15214-89-8 65360 144208979 A D 2-Acrylamido-2-methyl-1-propanesulfonic acid O=C(NC(C)(C)CS(=O)(=O)O)C=C Tox21_201781 -NCGC00259922-01 196709206 tox21-ror-cho-viability-p1 set2 4 76.2549909905 -16.56995538 2 -14.56995538 4.9549173134 0.8241456717 0.0046759405 0.40514243 1.19795731 2.72420599 0.96457049 1.53598545 0.05430054 2.08826108 0.25372863 1.41004414 1.39278849 2.48801283 4.53341909 4.26089508 3.97507394 -11.30829615 1.171E-9 2.6189999999E-9 5.856E-9 1.31E-8 2.9279999999E-8 6.5479999999E-8 1.464E-7 3.274E-7 7.3209999999E-7 0.000001637 0.00000366 0.000008185 0.0000183 0.00004092 0.00009151 87-66-1 1057 144209571 Z Z Pyrogallol Oc1cccc(O)c1O Tox21_202373 -NCGC00259321-01 196708800 tox21-ror-cho-viability-p1 set2 4 -0.45553464 -0.28443107 2.29635641 1.50238081 2.05467481 -0.25350726 2.49604609 2.24744125 1.34161761 1.77019783 -0.50897967 2.99351134 1.27626766 2.65725915 -0.5457056 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.0000036659999999 0.000008198 0.00001833 0.00004099 0.000091659999999 85-02-9 6796 144208970 A A Benzo(f)quinoline c2cc1ncccc1c3ccccc23 Tox21_201772 -NCGC00259991-01 196708802 tox21-ror-cho-viability-p1 set2 -2.2 27.1949826514 -55.5173474864 -1.635739135 -57.1530866214 1.24751 0.9852691877 8E-9 -2.43200317 -2.6588058 -3.47833828 -1.41574756 -2.25854584 1.22310484 -0.57575978 0.79465252 -0.07226511 -4.83774657 -8.29395087 -12.19056303 -21.35345877 -35.78029781 -50.13428651 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 87-10-5 14868 144209640 A B Tribromsalan Oc1c(cc(Br)cc1Br)C(=O)Nc2ccc(Br)cc2 Tox21_202442 -NCGC00259239-01 196709214 tox21-ror-cho-viability-p1 set2 4 3.91188442 1.83511256 -0.26044496 -0.83443181 0.19341378 1.35167833 0.34473437 1.15104068 1.31026545 3.39906849 -0.50012308 0.52170379 3.31330067 1.03306988 3.04874089 1.1699999999E-9 2.6159999999E-9 5.849E-9 1.3079999999E-8 2.925E-8 6.539E-8 1.462E-7 3.27E-7 7.311E-7 0.000001635 0.000003656 0.0000081739999999 0.00001828 0.000040869999999 0.000091389999999 79917-90-1 2734161 144208888 A A 1-Butyl-3-methylimidazolium chloride [Cl-].CCCCn1cc[n+](C)c1 Tox21_201690 -NCGC00259481-01 196709216 tox21-ror-cho-viability-p1 set2 4 13.7689754884 -7.140757412 0 -7.140757412 3.1319983358 0.7788442024 0.0123864962 -0.54456874 1.48950533 -1.59392774 -1.12104557 0.08672221 -1.00760478 0.14680956 -1.87559205 -1.40928333 1.99630526 -0.42746149 1.17321274 -6.40263225 -5.64369053 -8.03396451 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003708 0.000008291 0.00001854 0.00004145 0.00009269 99-87-6 7463 144209130 AC Fns p-Cymene Cc1ccc(cc1)C(C)C Tox21_201932 -NCGC00259320-01 196709220 tox21-ror-cho-viability-p1 set2 4 1.64486046 1.75251013 0.15599704 1.66073953 -0.31912122 -0.92816754 3.15674907 -0.25860999 2.87732027 2.54558878 0.37861264 4.13487082 3.07820756 1.70702398 1.5421966 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.397E-7 7.5949999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004246 0.00009494 101-83-7 7582 144208969 A Fns Dicyclohexylamine C1CCCCC1NC2CCCCC2 Tox21_201771 -NCGC00259476-01 196709618 tox21-ror-cho-viability-p1 set2 4 19.6264379866 -9.8748787039 -2 -11.8748787039 0.7999999999 0.4468215264 0.229094494 -0.17919525 -2.48127307 -4.42525115 -7.17938113 -0.75744988 -0.4437711 -3.80624692 0.08203178 -0.81410015 -1.76880863 -2.96087295 -11.56239892 -3.04200167 -7.89761827 -10.45183398 1.195E-9 2.671E-9 5.973E-9 1.336E-8 2.986E-8 6.678E-8 1.493E-7 3.3389999999E-7 7.466E-7 0.000001669 0.000003733 0.000008347 0.00001866 0.00004174 0.00009332 99-07-0 7421 144209125 A A 3-Dimethylaminophenol CN(C)c1cccc(O)c1 Tox21_201927 -NCGC00259737-01 196709628 tox21-ror-cho-viability-p1 set2 4 -6.01163523 -0.63213998 -11.94461375 -36.77925557 -6.84794173 -4.11517841 -2.74963601 1.51520983 -3.72411723 -1.11069966 -0.44393798 -4.75256361 -1.92083426 -3.29395339 -1.18052467 1.16E-9 2.594E-9 5.7999999999E-9 1.297E-8 2.9E-8 6.485E-8 1.45E-7 3.2419999999E-7 7.2499999999E-7 0.000001621 0.000003625 0.000008106 0.000018129999999 0.00004053 0.000090629999999 80-26-2 111037 144209386 A A alpha-Terpinyl acetate CC(=O)OC(C)(C)C1CC=C(C)CC1 Tox21_202188 -NCGC00255827-01 196710034 tox21-ror-cho-viability-p1 set2 4 1.56066995 0.97676938 -0.9801436 1.36169528 2.01535841 1.69982277 0.34547982 0.87149704 -0.217111 1.38328809 -0.89493436 1.21825457 1.70989127 1.11918689 1.35295888 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24353-61-5 90479 144211645 A A Isocarbophos S=P(N)(Oc1ccccc1C(=O)OC(C)C)OC Tox21_301328 -NCGC00255731-01 196710039 tox21-ror-cho-viability-p1 set2 4 -1.47690107 -3.48074902 -4.2867511 -4.56151649 -1.22114827 0.4209571 -1.85173153 -1.36866485 0.35770873 -0.96403958 -2.73629087 0.22656224 -1.00094673 -1.10777777 -7.7341449 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14663-23-1 32731 144212314 A A Dantrolene sodium [Na+].[O-][N+](=O)c1ccc(cc1)c3ccc(/C=N/N2CC(=O)[N-]C2=O)o3 Tox21_301997 -NCGC00256212-01 196710040 tox21-ror-cho-viability-p1 set2 4 2.13800784 1.56533156 2.97522688 2.62248184 4.08110109 1.95189144 0.36087408 2.70511422 -0.65782616 0.62769876 3.75781734 -1.0582297 3.01096968 -0.61980667 3.05363994 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 998-40-3 13831 144211917 F B Tributylphosphine CCCCP(CCCC)CCCC Tox21_301600 -NCGC00256260-01 196710053 tox21-ror-cho-viability-p1 set2 4 -0.48469266 -2.07255711 -2.92614079 -2.37266143 -2.88551344 -1.37497359 -0.5579519 1.79112138 -5.13081291 -5.27410845 -0.11442621 -1.87609192 -3.1311806 -2.17812653 -4.71655614 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16251-77-7 85979 144212640 Ac F 3-Phenylbutyraldehyde CC(CC=O)c1ccccc1 Tox21_302323 -NCGC00258170-01 196701558 tox21-ror-cho-viability-p1 set1 4 0.0001047764 -53.35118542 -42.68838655 2.33872693 -0.91476702 -2.68203669 -2.87680371 -4.20902252 1.95183986 -4.2579352 -3.81311531 -1.60736431 1.97905128 0.61199597 -3.82371436 2.8303946 1.1919999999E-9 2.6649999999E-9 5.959E-9 1.332E-8 2.979E-8 6.662E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.0000016659999999 0.000003724 0.0000083279999999 0.00001862 0.00004164 0.00009311 370865-80-8 16213711 144207814 A A 1-Butyl-1-methylpyrrolidinium dicyanamide CCCC[N+]1(C)CCCC1.N#C\N=C=[N-] Tox21_200616 -NCGC00258031-01 196701562 tox21-ror-cho-viability-p1 set1 4 1.6954947 6.78256184 1.62020331 5.32678001 6.83872175 7.36184396 5.2453504 6.78832319 5.39307652 -9.65685577 8.6753269 2.06312399 4.73827567 6.6800003 1.2798283 1.1919999999E-9 2.6649999999E-9 5.96E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.332E-7 7.45E-7 0.0000016659999999 0.000003725 0.000008329 0.00001862 0.000041649999999 0.00009312 3399-22-2 7198 144207675 A A Dimethyl trans-cyclohexane-1,4-dicarboxylate COC(=O)[C@H]1CC[C@@H](CC1)C(=O)OC Tox21_200477 -NCGC00255673-01 196701147 tox21-ror-cho-viability-p1 set1 4 0.78459712 -3.68837491 1.53132122 0.03416199 2.45686096 -0.72992757 -0.69791892 -0.62397467 5.50241657 -0.05829856 -2.88467524 1.21170856 2.67050458 -0.07713048 5.51558198 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26259-45-0 33443 144211736 A A Secbumeton COc1nc(NCC)nc(NC(C)CC)n1 Tox21_301419 -NCGC00257570-01 196701556 tox21-ror-cho-viability-p1 set1 4 55.4259289229 20.9274150279 -2.4274150279 18.5 3.2974983358 0.746583713 0.0206259323 -7.50310587 1.31191161 -7.85617919 -2.25497382 -1.20937219 -2.19156441 -2.47706879 -0.24629924 -0.22860026 -3.25957884 -4.05598765 2.28322074 -1.3728685 3.03986643 15.62121199 1.197E-9 2.676E-9 5.9839999999E-9 1.338E-8 2.992E-8 6.69E-8 1.496E-7 3.345E-7 7.479E-7 0.0000016719999999 0.00000374 0.0000083619999999 0.000018699999999 0.00004181 0.000093489999999 443-72-1 67955 144207214 A B (N-6)-Methyladenine CNc2ncnc1ncnc12 Tox21_200016 -NCGC00258719-01 196701563 tox21-ror-cho-viability-p1 set1 4 -0.65334245 -0.95163342 -2.03262882 -2.0772869 0.98456638 0.68552469 -0.89948578 0.14308994 0.90732263 0.8362795 0.34267357 -12.02134467 0.85414302 0.41161207 0.89364966 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041229999999 0.00009218 495-48-7 10316 144208365 Ac Ac Azoxybenzene [O-]/[N+](=N/c1ccccc1)c2ccccc2 Tox21_201167 -NCGC00258735-01 196701578 tox21-ror-cho-viability-p1 set1 4 1.98726413 -0.59318756 -1.2608095 2.86079326 1.44627978 0.8039884 4.34716249 -0.46801025 1.30837905 2.9173549 -1.34624449 -0.56064033 1.80627031 0.14697964 -1.21219039 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 19224-26-1 517637 144208381 A A 1,2-Propanediol, dibenzoate CC(OC(=O)c1ccccc1)COC(=O)c2ccccc2 Tox21_201183 -NCGC00258066-01 196702388 tox21-ror-cho-viability-p1 set1 4 4.02415229 0.13764759 5.30851404 2.20200671 1.04335693 3.45724462 -2.23039877 4.66878985 0.05277182 1.90084168 -2.56099682 1.39236307 3.71811069 -1.60526281 4.60483763 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004136 0.00009247 88-96-0 6956 144207710 A A Phthalamide O=C(N)c1ccccc1C(N)=O Tox21_200512 -NCGC00257593-01 196702397 tox21-ror-cho-viability-p1 set1 4 33.7828012134 17.6198458159 -7.6198458159 10 0.9099999999 0.4356177983 0.2380290606 0.2552479 -10.06866755 -12.15263364 -14.26653818 -8.74914785 1.98743334 -10.93753411 -8.91351673 -3.04259053 -8.27259204 -6.66481122 -3.18319447 1.34431438 -2.9063753 7.58144762 1.163E-9 2.602E-9 5.817E-9 1.301E-8 2.909E-8 6.5039999999E-8 1.454E-7 3.252E-7 7.2719999999E-7 0.0000016259999999 0.000003636 0.00000813 0.00001818 0.00004065 0.000090889999999 56-23-5 5943 144207237 Carbon tetrachloride ClC(Cl)(Cl)Cl Tox21_200039 -NCGC00258407-01 196702398 tox21-ror-cho-viability-p1 set1 4 4.80157472 0.95245181 0.54128671 8.00525165 6.5506893 3.50339693 6.70296225 5.10804055 0.01757318 6.29675811 0.68634243 1.62714858 0.12930515 6.38856862 3.41104273 1.1739999999E-9 2.626E-9 5.871E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.282E-7 7.339E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.000091739999999 620-22-4 12104 144208051 A A 3-Methylbenzonitrile N#Cc1cccc(C)c1 Tox21_200853 -NCGC00257931-01 196702399 tox21-ror-cho-viability-p1 set1 4 -3.50454219 -0.31880767 -10.06933934 2.9679293 -3.77716979 5.95932728 -16.0330244 -3.33960469 3.95302859 -7.83612374 -10.5781491 -7.60113355 -12.00765484 -7.99092799 -4.94222573 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.9669999999E-8 6.635E-8 1.484E-7 3.318E-7 7.4179999999E-7 0.000001659 0.000003709 0.000008294 0.00001855 0.000041469999999 0.00009273 931-97-5 13610 144207575 D Cyclohexanone cyanohydrin N#CC1(O)CCCCC1 Tox21_200377 -NCGC00258511-01 196702403 tox21-ror-cho-viability-p1 set1 4 -4.00569859 -5.96577409 -6.75220387 -5.04542043 -9.56783492 1.44335281 -10.85316577 -17.03905243 -3.83773789 -10.22387315 -9.62889665 -11.38233706 -10.46377506 -9.74930769 -8.00767345 1.155E-9 2.5839999999E-9 5.7769999999E-9 1.292E-8 2.889E-8 6.459E-8 1.444E-7 3.23E-7 7.2219999999E-7 0.000001615 0.000003611 0.000008074 0.000018049999999 0.000040369999999 0.000090269999999 3586-14-9 19165 144208156 A A 1-Methyl-3-phenoxybenzene Cc2cc(Oc1ccccc1)ccc2 Tox21_200958 -NCGC00257730-01 196702404 tox21-ror-cho-viability-p1 set1 4 4.37651747 4.54410063 4.884865 7.7073925 3.10256725 0.84336687 3.45899494 -0.6216703 6.14819968 6.88647367 1.13418454 3.87174776 2.80640533 0.2853119 0.0793153 1.475E-9 3.299E-9 7.377E-9 1.649E-8 3.688E-8 8.247E-8 1.844E-7 4.1239999999E-7 9.221E-7 0.000002062 0.00000461 0.00001031 0.00002305 0.00005154 0.0001153 68609-96-1 99953 144207374 A F Alkyl (C8,C10) glycidyl ether CCCCCCCCCOCC1CO1 Tox21_200176 -NCGC00257632-01 196702805 tox21-ror-cho-viability-p1 set1 4 -11.60552734 -9.41006479 -9.90154055 -9.96357887 -16.71894203 -2.64999107 -7.73923901 -15.5723011 -9.84612859 -12.83466389 -13.95486464 -16.11532142 -15.00088926 -13.90061679 -14.7475504 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 0.000091709999999 90-51-7 7022 144207276 A C 6-Amino-4-hydroxynaphthalene-2-sulfonic acid O=S(=O)(O)c1cc(O)c2cc(N)ccc2c1 Tox21_200078 -NCGC00257622-01 196701941 tox21-ror-cho-viability-p1 set1 -2.4 17.299041594 -26.97090368 -2.8823333279 -29.8532370079 0.2 0.7397165067 0.0228781469 -3.65194444 -9.26482406 -7.6937074 -8.41589344 -12.12630131 -7.07569277 -11.38494129 -13.47798895 -10.48660721 -12.96448188 -10.51909343 -12.44489269 -17.91839284 -17.24010514 -23.21103084 1.1839999999E-9 2.647E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.619E-8 1.4799999999E-7 3.309E-7 7.4E-7 0.000001655 0.0000037 0.0000082729999999 0.0000185 0.00004137 0.0000925 102-07-8 7595 144207266 A A Diphenylurea O=C(Nc1ccccc1)Nc2ccccc2 Tox21_200068 -NCGC00255639-01 196701099 tox21-ror-cho-viability-p1 set1 4 0.0017228934 8.381343992 -6.881343992 1.5 3.9899729863 0.4735350436 0.2066145414 -5.31778666 0.08966206 2.16214179 1.20828515 0.13345546 0.28541466 -0.09030965 4.59810361 0.4611595 -0.56517148 0.9074513 -0.05587203 2.63369179 6.17208951 3.67121468 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1668-54-8 15466 144212414 A A 2-Methyl-4-amino-6-methoxy-s-triazine Cc1nc(N)nc(OC)n1 Tox21_302097 -NCGC00255160-01 196701105 tox21-ror-cho-viability-p1 set1 4 -13.59894179 -9.03756487 -3.86913212 -2.30800169 -8.4955594 -5.1314247 -15.19636745 -3.90486431 -10.99170734 -5.98060504 -19.15821618 -7.22185717 -20.61499045 -15.92590209 -8.87568611 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 112-12-9 8163 144211702 A Ac 2-Undecanone CC(=O)CCCCCCCCC Tox21_301385 -NCGC00257794-01 196701515 tox21-ror-cho-viability-p1 set1 -1.1 12.1971512362 -100.3849379797 3.8575902649 -96.5273477148 2.3331733767 0.9584459438 0.0000030261 0.71642288 0.70464048 1.68411227 3.90995525 0.82754691 4.3443213 1.64482868 4.63204423 7.04692354 1.43382201 -0.33208158 -7.46082286 -88.49772061 -89.37717381 -87.54345375 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.299E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.00001844 0.00004124 0.00009222 506-61-6 10474 144207438 Potassium silver cyanide [Ag+].[K+].[C-]#N.[C-]#N Tox21_200240 -NCGC00257981-01 196702341 tox21-ror-cho-viability-p1 set1 4 43.2771256911 14.3283436719 -4.3283436719 10 3.1319983358 0.4112533865 0.2614466231 -0.77462365 1.06242368 -4.36054707 -6.68766494 -8.19612195 -6.11053049 -6.32653076 2.62508179 -7.83741146 0.91100241 -6.99377296 -0.95111502 -12.35695306 3.80669435 8.33931136 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 84-77-5 6788 144207625 AC A Didecyl phthalate O=C(OCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC Tox21_200427 -NCGC00258570-01 196702349 tox21-ror-cho-viability-p1 set1 -3 64.9786852238 -59.1431688826 -1.724382265 -60.8675511476 4.9549173134 0.8664960988 0.0013102559 -0.35171636 3.64338379 -2.29790618 -3.97698867 -12.19260295 -0.00468692 -3.56846013 -1.52800616 6.95211539 -3.478124 -10.37573516 3.27570446 0.74747367 -6.25212118 -50.29170726 1.128E-9 2.5219999999E-9 5.639E-9 1.2609999999E-8 2.819E-8 6.304E-8 1.4099999999E-7 3.1519999999E-7 7.0479999999E-7 0.000001576 0.000003524 0.0000078799999999 0.00001762 0.000039399999999 0.00008811 843-55-0 232446 144208215 A A Bisphenol Z Oc1ccc(cc1)C2(CCCCC2)c3ccc(O)cc3 Tox21_201017 -NCGC00257638-01 196702352 tox21-ror-cho-viability-p1 set1 4 0.0174569566 -8.553777808 2.5 -6.053777808 4.9549173134 0.6657562319 0.0555174993 0.66335852 0.893532 5.62079438 1.93405299 -7.59602188 -3.34432729 -5.31480507 -1.97949444 -7.27259109 -8.50147282 -11.29481484 -3.25754465 -6.72809354 -7.09216023 -3.21353024 1.193E-9 2.667E-9 5.964E-9 1.3339999999E-8 2.982E-8 6.668E-8 1.491E-7 3.3339999999E-7 7.455E-7 0.0000016669999999 0.0000037269999999 0.000008335 0.00001864 0.00004167 0.00009318 69056-62-8 16218793 144207282 A A Tributylmethylphosphonium methyl sulfate C[P+](CCCC)(CCCC)CCCC.[O-]S(=O)(=O)OC Tox21_200084 -NCGC00258305-01 196702353 tox21-ror-cho-viability-p1 set1 4 -6.80123628 -0.48961218 0.97493112 1.36452545 2.30351196 10.02853847 8.07473376 -1.24465712 5.29181117 -8.13268189 -0.00842765 0.12206376 6.07746382 0.09894536 0.80205211 1.2049999999E-9 2.695E-9 6.0249999999E-9 1.347E-8 3.013E-8 6.736E-8 1.506E-7 3.368E-7 7.5309999999E-7 0.0000016839999999 0.000003766 0.0000084199999999 0.000018829999999 0.0000421 0.000094139999999 88-16-4 6921 144207949 AC F 2-Chlorobenzotrifluoride FC(F)(F)c1ccccc1Cl Tox21_200751 -NCGC00257749-01 196702355 tox21-ror-cho-viability-p1 set1 4 3.18967248 3.57748222 -1.65044782 -1.90508819 -0.34607976 0.5336161 8.1512306 0.34092132 6.18342162 -2.13640786 0.05970548 3.52868515 9.09604908 1.32095764 3.46803166 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003707 0.0000082899999999 0.00001854 0.00004145 0.00009269 872-05-9 13381 144207393 FNS 1-Decene CCCCCCCCC=C Tox21_200195 -NCGC00257594-01 196702756 tox21-ror-cho-viability-p1 set1 4 -0.60002545 -0.86421674 -5.65002089 0.12910625 -5.6748244 -0.33900613 -0.53828585 -0.90588114 24.43319748 -9.55074152 -6.58397313 -1.40401066 0.27532157 10.50741901 1.95408102 1.206E-9 2.6979999999E-9 6.032E-9 1.349E-8 3.016E-8 6.744E-8 1.5079999999E-7 3.372E-7 7.54E-7 0.0000016859999999 0.00000377 0.0000084299999999 0.00001885 0.000042149999999 0.00009425 6287-38-3 22710 144207238 A B 3,4-Dichlorobenzaldehyde Clc1ccc(C=O)cc1Cl Tox21_200040 -NCGC00254053-01 196699473 tox21-ror-cho-viability-p1 set1 4 -3.21303295 2.92258151 0.17889975 -0.28695155 0.25357314 -0.3885185 1.33190685 -0.00021359 5.55449537 -1.64937357 -0.79837791 -2.6850465 0.0784842 -3.59073063 -1.6254234 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 648917-13-9 12148754 144210573 A A AVE2865 Fc1cc(c(Cl)cc1F)C(=O)NC(=O)Nc2cc(F)ccc2N3CCC(CC3)C(=O)O Tox21_300253 -NCGC00254629-01 196699468 tox21-ror-cho-viability-p1 set1 4 10.5064222891 -8.958299624 0 -8.958299624 4.9549173134 0.8271472081 0.0043247387 0.08168491 2.91820083 -1.15488617 0.89464624 -1.17991167 0.09550116 0.23584437 1.77765133 -3.65532672 0.17915338 -0.63837242 1.21658642 -9.54858302 -8.84167787 -7.95896573 9.4669999999E-10 2.117E-9 4.734E-9 1.058E-8 2.367E-8 5.292E-8 1.183E-7 2.646E-7 5.917E-7 0.0000013229999999 0.000002959 0.000006615 0.000014789999999 0.000033079999999 0.000073959999999 173584-44-6 107720 144211040 A A Indoxacarb FC(F)(F)Oc1ccc(cc1)N(C(=O)OC)C(=O)N2N=C3c4ccc(Cl)cc4C[C@@]3(OC2)C(=O)OC Tox21_300723 -NCGC00256880-01 196719250 tox21-ror-cho-viability-p1 set2 4 0.4054209 -0.12480238 1.08913778 2.00993853 1.09461623 5.01934998 1.3245305 4.00635214 3.00379649 6.66374037 6.7092058 6.94507901 0.44998246 0.63277917 3.54000539 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 67028-40-4 4047281 144212951 A A (4-Methylphenoxy) acetic acid ethyl ester O=C(COc1ccc(C)cc1)OCC Tox21_302634 -NCGC00163903-03 196719252 tox21-ror-cho-viability-p1 set2 4 -4.68475268 -2.92564578 -2.37616081 -1.06603836 -5.94326244 -5.56309137 -4.61381634 -3.0764545 -1.9686586 -1.33388499 0.89694585 -0.38762337 -9.10257344 1.18688993 -2.34334256 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00256934-01 196719253 tox21-ror-cho-viability-p1 set2 4 0.68198894 1.20644052 0.48251177 -28.01261239 3.01642792 7.68244774 1.30494856 5.54526201 3.65383515 2.84534144 0 1.39192204 0.48307877 2.46278005 4.61378819 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5419-55-6 21531 144213446 F F Triisopropyl orthoborate CC(C)OB(OC(C)C)OC(C)C Tox21_303129 -NCGC00163815-04 196719259 tox21-ror-cho-viability-p1 set2 -2.1 58.1036241395 -80.5555722089 1.2437315789 -79.31184063 1.98874246 0.9790502108 6.21E-8 0.9834361 -0.52701439 2.0707682 -0.36554697 -0.47183543 2.93171511 0.94170251 7.47795646 1.6416259 1.58825344 2.06177291 -0.68743684 -11.72596158 -25.49013334 -60.08472775 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00256604-01 196719260 tox21-ror-cho-viability-p1 set2 4 -0.59017671 0.2349827 -0.23072094 -0.63147376 4.45889924 2.70789353 2.94594747 -0.38282397 -0.91007602 4.19573317 -0.11900422 -2.04331479 -0.41274462 3.15911708 2.68182735 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 592-31-4 11595 144213154 A A N-Butylurea NC(=O)NCCCC Tox21_302837 -NCGC00255062-01 196714671 tox21-ror-cho-viability-p1 set2 4 0.18186034 -2.73817973 -1.42072131 0.49213133 -0.02682271 -3.09180593 2.32752693 0.42789778 1.44801343 -1.68511251 0.21330911 3.1699596 0.55883515 1.75580156 -0.09233135 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23950-58-5 32154 144211481 A A Propyzamide Clc1cc(cc(Cl)c1)C(=O)NC(C)(C)C#C Tox21_301164 -NCGC00254840-01 196714262 tox21-ror-cho-viability-p1 set2 -2.2 12.1971512362 -55.1782919018 -4.857843465 -60.0361353668 1.0999999999 0.9063147854 0.0004313247 -4.21703418 2.33893816 -3.73711029 -9.85082273 -1.41620334 -10.69857483 -10.77146218 -9.9051117 -7.55499211 -10.49130284 -14.53230066 -22.70264877 -46.23949649 -44.68186162 11.89903486 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1070-70-8 70613 144211255 A A 1,4-Butanediol diacrylate O=C(OCCCCOC(=O)C=C)C=C Tox21_300938 -NCGC00254884-01 196714263 tox21-ror-cho-viability-p1 set2 4 -1.83662566 -2.89184611 -0.97997884 1.52445708 -2.44388584 -1.06126931 -3.92352282 -1.16517354 -1.90899344 -7.13918942 -2.75794312 -1.82809826 2.13869684 -7.15155667 -3.05938078 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51218-45-2 4169 144211299 A A Metolachlor ClCC(=O)N(C(C)COC)c1c(C)cccc1CC Tox21_300982 -NCGC00254519-01 196714266 tox21-ror-cho-viability-p1 set2 4 1.94189916 1.08514117 0.81198419 0.73491099 0.8948559 2.66929403 0.37888586 0.67608259 -0.08437096 -2.96640789 0.65787351 0.27275864 3.16067367 1.34243019 0.2709338 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-86-3 31362 144210876 A A 2,4,7,9-Tetramethyl-5-decyne-4,7-diol CC(O)(C#CC(C)(O)CC(C)C)CC(C)C Tox21_300559 -NCGC00255507-01 196710881 tox21-ror-cho-viability-p1 set2 4 0.6113056486 5.1882546959 -5.1882546959 0 4.9549173134 0.5170644161 0.1650604916 -8.30850647 -5.21896711 -4.78453224 -3.1375564 -4.13799887 -0.44203981 -4.34602862 -10.57354558 -0.04374757 -2.62554126 0.02271373 0.21560283 -0.48380153 2.81754205 -0.13706656 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58430-94-7 42745 144212198 A F 3,5,5-Trimethylhexyl acetate O=C(C)OCCC(C)CC(C)(C)C Tox21_301881 -NCGC00091380-04 196710865 tox21-ror-cho-viability-p1 set2 4 1.65590826 2.52557309 4.61163215 2.01492238 0.89681893 1.74091887 0.39579514 1.32668557 2.89835167 3.63724415 -1.89808676 -1.5438486 3.72351347 4.03437097 0.00013395 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00255413-01 196710864 tox21-ror-cho-viability-p1 set2 -2.4 30.6378586933 -22.781633764 0 -22.781633764 1.6435888099 0.8284862354 0.0041259412 3.53469313 -4.81317426 -5.37931687 -3.76761918 1.28410931 1.29777251 1.37655374 1.42109431 0.6260299 0.82102178 1.31629023 -0.76914874 -9.83492183 -12.3023719 -20.65136147 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 42576-02-3 39230 144211933 A A Bifenox Clc2cc(Cl)ccc2Oc1cc(C(=O)OC)c(cc1)[N+]([O-])=O Tox21_301616 -NCGC00091663-03 196710874 tox21-ror-cho-viability-p1 set2 4 -8.2329366 -0.15504448 -1.85004094 -1.85423305 -0.05426483 1.45377074 -0.55190443 0.85205161 0.50639645 -0.1713846 0.77120036 1.19455868 -1.29645147 -5.75636634 -4.5938878 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00260216-01 196711286 tox21-ror-cho-viability-p1 set2 4 -0.8328554 6.15011654 2.39151786 -1.4689739 -1.26869525 1.48131119 -0.36244746 4.07349364 5.04990902 0.88408301 3.33443642 1.87075135 3.27038588 3.37995957 8.37647692 1.1759999999E-9 2.63E-9 5.8799999999E-9 1.315E-8 2.94E-8 6.574E-8 1.4699999999E-7 3.2869999999E-7 7.35E-7 0.0000016439999999 0.0000036749999999 0.000008218 0.000018379999999 0.00004109 0.00009188 37971-78-1 60196384 144209866 A A 1-Butyl-1-methylpiperidinium iodide [I-].C[N+]1(CCCC)CCCCC1 Tox21_202668 -NCGC00357280-01 196711300 tox21-ror-cho-viability-p1 set2 -1.4 14.9600854925 -46.5522490146 -5.413052211 -51.9653012256 3.9294729863 0.7132117141 0.369128026 -8.00304092 -1.80501512 -4.08359458 -6.19703356 -5.34291592 -19.66785599 -3.82783828 -28.73052156 -62.44916164 -14.5652246 -2.56509844 0 0 -54.13052211 -49.14672396 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 509-34-2 62357 251919767 F C.I. Solvent Red 49 CCN(CC)c4cc5Oc1cc(ccc1C3(OC(=O)c2ccccc23)c5cc4)N(CC)CC Tox21_303794 -NCGC00260042-01 196711703 tox21-ror-cho-viability-p1 set2 4 0.14156465 5.122001 1.41272472 1.64881913 4.32797944 5.87209092 7.02886264 8.27972088 8.12658021 7.13146353 7.74036398 7.70403507 7.57251346 7.88302699 8.98101339 1.194E-9 2.671E-9 5.972E-9 1.335E-8 2.986E-8 6.677E-8 1.493E-7 3.338E-7 7.465E-7 0.000001669 0.000003733 0.000008346 0.00001866 0.000041729999999 0.00009331 8024-48-4 144209691 ND Casanthrol Tox21_202493 -NCGC00357272-01 196711707 tox21-ror-cho-viability-p1 set2 2.4 54.4826732819 26.0403259241 1.4596740759 27.5 3.1319983358 0.9393466882 0.0000241822 0.08448617 1.27575693 1.09616211 3.20288487 1.8144245 1.2280495 0.42065869 3.04665893 1.19803677 4.28768999 3.08240642 2.06810839 -0.86693827 9.18991574 23.31328751 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 150-46-9 9009 251919766 F Triethyl borate CCOB(OCC)OCC Tox21_303940 -NCGC00257531-01 196710082 tox21-ror-cho-viability-p1 set2 4 0.16913291 -0.64055525 5.4015109 0.50743486 0.0116075 3.89825143 0.26615944 4.77056242 4.44459884 6.40819113 0.18283871 3.10806725 0.4024444 3.80743549 2.96456979 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7631-86-9 24261 144211605 Silica O=[Si]=O Tox21_301288 -NCGC00259419-01 196709662 tox21-ror-cho-viability-p1 set2 4 4.26322259 1.24619106 -3.51004285 1.3618504 -1.3185873 2.12686173 -1.39715632 13.46993356 2.71049415 0.00019018 -1.61538085 3.13002988 2.04499683 -1.37239379 1.34755584 1.1859999999E-9 2.6519999999E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001853 0.000041439999999 0.000092669999999 56-04-2 667493 144209068 A A 6-Methyl-2-thiouracil O=C1C=C(C)NC(=S)N1 Tox21_201870 -NCGC00258869-01 196709665 tox21-ror-cho-viability-p1 set2 4 -0.32427511 -0.2606076 -1.22395133 -1.86056362 0.63237667 0.92285821 -0.44218342 -0.30119578 -1.53642291 -0.83094299 -1.04670875 -0.93675739 0.67897056 -5.53170393 -7.62355759 1.233E-9 2.7579999999E-9 6.1669999999E-9 1.379E-8 3.083E-8 6.8949999999E-8 1.542E-7 3.447E-7 7.708E-7 0.000001724 0.000003854 0.000008618 0.00001927 0.00004309 0.000096349999999 112-56-1 8196 144208515 A A 2-(2-Butoxyethoxy)ethyl thiocyanate N#CSCCOCCOCCCC Tox21_201317 -NCGC00255945-01 196710080 tox21-ror-cho-viability-p1 set2 4 3.27519384 1.32129031 -0.61868417 1.62761039 -0.29088359 2.34857713 1.41742799 -0.26714835 0.37062045 0.08128744 1.21393166 0.640044 1.21111062 1.02660635 0.89823726 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 111974-72-2 5281025 144212683 A A Quetiapine fumarate O=C(O)/C=C/C(=O)O.OCCOCCN1CCN(CC1)C3=Nc4ccccc4Sc2ccccc23.OCCOCCN1CCN(CC1)C3=Nc4ccccc4Sc2ccccc23 Tox21_302366 -NCGC00255640-01 196710479 tox21-ror-cho-viability-p1 set2 4 4.43847254 3.56298606 3.31231498 4.23126991 3.63292545 4.22585233 1.45236523 1.1645334 1.1200093 2.14392908 0.54422497 -0.71106504 1.57823222 1.87662536 0.93736235 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-49-6 6480 144212345 A A 2-Methyl-2-nitro-1,3-propanediol [O-][N+](=O)C(C)(CO)CO Tox21_302028 -NCGC00260058-01 196703644 tox21-ror-cho-viability-p1 set1 4 -2.1132687 -0.77306453 4.60535682 1.68097544 -1.50753545 0.11992174 -10.11213321 -12.28530684 2.16045025 0.62574085 2.00146617 2.22893961 2.27503803 -0.9992237 -0.13204117 5.9E-10 1.319E-9 2.95E-9 6.596E-9 1.4749999999E-8 3.298E-8 7.375E-8 1.6489999999E-7 3.687E-7 8.245E-7 0.000001844 0.000004123 0.0000092179999999 0.000020609999999 0.00004609 3648-20-2 19283 144209707 F Fns Diundecyl phthalate O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC Tox21_202509 -NCGC00260064-01 196703229 tox21-ror-cho-viability-p1 set1 4 21.8886121324 -11.184575476 1 -10.184575476 4.9549173134 0.8287180414 0.0041456764 3.06033223 0.63121593 -0.46783097 -1.927491 1.90680111 1.70619422 -0.83480669 1.32502275 -0.86868814 1.71593991 2.19066753 4.54363803 -2.02268664 -10.98714623 -8.68842549 1.189E-9 2.6589999999E-9 5.945E-9 1.3289999999E-8 2.973E-8 6.647E-8 1.486E-7 3.323E-7 7.4319999999E-7 0.000001662 0.000003716 0.000008309 0.000018579999999 0.00004154 0.00009289 149-91-7 370 144209713 A A Gallic acid Oc1cc(cc(O)c1O)C(=O)O Tox21_202515 -NCGC00259046-01 196703646 tox21-ror-cho-viability-p1 set1 -2.1 61.5659893405 -92.645515189 -3.455064009 -96.100579198 3.5722481694 0.9789380582 6.4E-8 -0.79746257 -0.18142559 -0.05642772 0.29229801 -3.71402015 -6.86131807 -4.2437855 -5.62111481 -7.35330426 -3.68826304 0.68656494 -8.40476414 -4.26272456 -21.26397149 -78.86407515 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.4829999999E-7 3.317E-7 7.417E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.00004146 0.000092709999999 50-29-3 3036 144208693 A A p,p'-DDT Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl Tox21_201495 -NCGC00357194-01 196703656 tox21-ror-cho-viability-p1 set1 -2.1 43.2771256911 -75.0714120362 -0.864940347 -75.9363523832 2.3331733767 0.9723671248 3.041E-7 -2.98221789 2.64876724 -5.15396119 -3.84804525 0.26591499 -3.32457731 3.15056714 3.54610621 -4.14095351 0.75226036 -4.40315427 1.55357627 -7.59675274 -36.65758215 -65.10329726 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 612-12-4 11919 251919918 A 1,2-Bis(chloromethyl)benzene ClCc1ccccc1CCl Tox21_303964 -NCGC00357005-01 196704060 tox21-ror-cho-viability-p1 set1 4 3.49537025 1.39651236 -0.72903809 6.11397119 1.06799974 3.72687811 4.31118729 3.90070213 -1.32606954 -0.1509318 0.08087748 5.92997759 5.19165946 1.60736354 5.5574738 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 152019-73-3 15842092 251919833 I Metolachlor OA O=C(O)C(=O)N(C(C)COC)c1c(C)cccc1CC Tox21_304002 -NCGC00357020-01 196704061 tox21-ror-cho-viability-p1 set1 4 4.39218019 0.80269179 0.82448256 -0.13141517 0.04921081 5.8869883 0.63360021 -0.07296101 7.05563013 1.14491297 3.29149737 0.60051087 0.22532699 0.72789065 0.52859581 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2859-67-8 17861 251919664 A 3-(3-Pyridyl)-1-propanol OCCCc1cccnc1 Tox21_303737 -NCGC00260327-01 196704071 tox21-ror-cho-viability-p1 set1 4 -0.56626218 -3.78410516 -2.47739038 -4.91198377 5.17972602 -0.08592616 -1.50803181 -2.88121875 -2.42062777 -2.34811971 -8.5409379 3.0143596 -3.3049195 -8.93805611 1.27840383 2.959E-10 6.617E-10 1.4799999999E-9 3.3089999999E-9 7.3979999999E-9 1.6539999999E-8 3.699E-8 8.272E-8 1.85E-7 4.136E-7 9.2479999999E-7 0.000002068 0.0000046239999999 0.00001034 0.00002312 139-05-9 23665706 144209979 A A Sodium cyclamate [Na+].O=S([O-])(=O)NC1CCCCC1 Tox21_202781 -NCGC00247683-01 196704478 tox21-ror-cho-viability-p1 set1 4 -4.21491309 -4.46233973 1.12881069 -2.36673121 -0.5506675 2.59963251 -0.0497657 0.65726188 2.34569523 -1.26531203 -1.90014189 2.6324309 -0.15659839 0.63167375 -2.81377764 1.355E-9 3.03E-9 6.7749999999E-9 1.515E-8 3.387E-8 7.574E-8 1.694E-7 3.7869999999E-7 8.468E-7 0.0000018939999999 0.000004234 0.000009468 0.00002117 0.00004734 0.0001059 4968-48-3 3030770 144206385 A A 1-Methyl-4-phenyl-4-propionoxypiperidine hydrochloride Cl.CN1CCC(OC(=O)CC)(CC1)c2ccccc2 Tox21_112832 -NCGC00090874-04 196705327 tox21-ror-cho-viability-p1 set1 4 0.59879652 -0.92644432 8.4550623 -5.5438875 0.48067044 -0.18923638 -0.97652944 0.3819694 -1.50921943 -1.8608443 0.01875578 4.89279021 0.36689222 0.9635025 -4.75803925 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00015817-14 196704509 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -21.411556404 -2 -23.411556404 0.7999999999 0.637109199 0.0722995789 -0.14483258 -0.15040847 0.00251948 -5.98045996 -1.24960413 -4.3465364 -1.22801604 -1.36089032 -2.05654567 -1.46049808 -7.92752252 -3.78876386 -11.3908903 -4.25235075 -17.84296367 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60-87-7 4927 170465107 A Promethazine CN(C)C(C)CN1c3ccccc3Sc2ccccc12 Tox21_110227_1 -NCGC00178790-03 196704910 tox21-ror-cho-viability-p1 set1 4 -6.77016926 -7.6722412 -1.76575092 -0.45388966 -5.71655612 -5.35390212 -0.097143 -7.25308538 -2.65441156 -3.91531983 -3.50280948 -5.63894096 -9.04539815 0.10097716 0.50035544 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 29701-07-3 636396 170466137 D Bekanamycin sulfate O=S(=O)(O)O.N[C@@H]3[C@@H](O)[C@H](O)[C@@H](CN)O[C@@H]3O[C@H]2[C@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O)[C@H](N)C[C@@H]2N Tox21_113188_1 -NCGC00262921-01 196704933 tox21-ror-cho-viability-p1 set1 4 3.88761296 0.84942463 1.88430016 -2.4284964 2.54180638 3.03291473 4.10291331 3.54730677 2.30688347 2.61880776 0.0165149 0.91378978 5.93615959 0.31681193 0.82760691 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 147086-81-5 60924 170466667 F F (4S,6s)-5,6-dihydro-6-methyl-4h-thieno[2,3-b]thiopyran-4-ol 7,7-dioxide O[C@H]2C[C@H](C)S(=O)(=O)c1sccc12 Tox21_113917 -NCGC00013273-03 196705330 tox21-ror-cho-viability-p1 set1 4 -0.32863617 -0.04322274 -2.37073304 3.46102794 -2.11739874 -1.77503966 2.09950992 0.1505515 -2.94841991 2.38452164 -2.88117128 -1.53442313 1.41613789 -0.94926963 2.30506843 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 524-36-7 10664 170466828 Z Pyridoxamine dihydrochloride Cl.Cl.Oc1c(CN)c(cnc1C)CO Tox21_110020_1 -NCGC00094572-12 196704421 tox21-ror-cho-viability-p1 set1 4 26.6032120037 10.809878652 -1.309878652 9.5 1.692447691 0.56466393 0.1258320141 -0.28499665 -3.7365163 -3.77195035 -2.60531821 -0.24343158 0.60680061 -0.2511551 2.59931324 -2.31247043 -1.22515725 -5.25823221 -0.81949642 1.7207803 2.14751692 6.8174541 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33089-61-1 36324 170465703 F Amitraz Cc2ccc(/N=C/N(C)/C=N/c1ccc(C)cc1C)c(C)c2 Tox21_111299_1 -NCGC00357236-01 196704016 tox21-ror-cho-viability-p1 set1 4 -4.68400807 -2.02707962 0.40044959 -3.68136333 -0.36177825 -3.67368803 -5.44247485 -0.27505279 -2.80657087 -4.62168624 -3.7656188 -0.31431307 1.0202277 1.43782844 0.31859357 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 551-93-9 11086 251919909 A 2'-Aminoacetophenone O=C(C)c1ccccc1N Tox21_304027 -NCGC00260250-01 196704021 tox21-ror-cho-viability-p1 set1 4 1.73218457 -0.8394876 4.73876199 1.95625188 1.72128921 1.90494827 0.67336523 0.07658534 4.81150912 3.11458663 5.85805829 -0.66848108 1.54657262 -0.01723652 6.02637192 1.185E-9 2.6499999999E-9 5.9249999999E-9 1.325E-8 2.9629999999E-8 6.625E-8 1.481E-7 3.312E-7 7.406E-7 0.000001656 0.0000037029999999 0.000008281 0.00001852 0.0000414 0.00009258 93457-69-3 11009532 144209900 A A 1-Butyl-1-methylpyrrolidinium bromide [Br-].CCCC[N+]1(C)CCCC1 Tox21_202702 -NCGC00015399-16 196704417 tox21-ror-cho-viability-p1 set1 4 -3.97589206 -1.5784106 2.57433393 -0.32470175 -2.85945626 -10.45879227 -3.76856897 1.10885011 -1.65061544 -7.69895832 0.30738577 0.06069958 -4.8047727 -3.28549294 -3.08128719 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 41340-25-4 3308 170464915 A Etodolac O=C(O)CC3(CC)OCCc2c3nc1c(cccc12)CC Tox21_110644_1 -NCGC00256201-01 196701122 tox21-ror-cho-viability-p1 set1 4 68.5896218971 11.34940404 -0.84940404 10.5 4.9549173134 0.6993325318 0.0395221767 -2.09904586 -2.75118204 0.88491575 -2.09631657 0.36223035 -3.2078367 0.29797676 -0.17032507 1.52935869 -2.14894757 1.12265032 0.40260753 0.04213829 -0.15447854 8.35491976 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 827-95-2 70014 144212184 A A Sodium 3-nitrobenzoate [Na+].O=[N+]([O-])c1cc(ccc1)C([O-])=O Tox21_301867 -NCGC00256175-01 196700700 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -13.614351568 0.5 -13.114351568 4.9549173134 0.8354519373 0.0035200328 0.84672333 -1.28890511 2.42583711 2.66731279 1.93276556 1.82860161 0.59301364 -1.25305651 -1.02341476 -0.57924424 0.85397078 0.7195717 1.39076451 -0.58736817 -10.51195964 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-33-8 66636 144212316 A A Ethyl 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate O=C(OCC)C=1CC(=O)N(N=1)c2ccccc2 Tox21_301999 -NCGC00255282-01 196700706 tox21-ror-cho-viability-p1 set1 4 0.25580736 0.21214051 1.31153397 1.36895595 -0.81826466 -0.70312499 -1.3563769 1.03755398 4.92295019 9.73949437 1.10546917 -0.01365045 -0.09285213 -1.52541334 -0.09721665 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2008-58-4 16183 144212239 A B 2,6-Dichlorobenzamide O=C(N)c1c(Cl)cccc1Cl Tox21_301922 -NCGC00255647-01 196700721 tox21-ror-cho-viability-p1 set1 -1.1 15.3553036427 -91.6448160329 -0.4479853739 -92.0928014068 3.1319983358 0.9838008985 1.4E-8 -1.36868825 -1.7016606 -0.95509894 0.33159477 0.75530851 -8.2845273 -0.06006833 -0.15843522 -1.59858846 -0.47670089 2.5708703 -4.93717579 -65.81387979 -91.90898344 -84.09715579 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1594-56-5 15325 144211780 A A 2,4-Dinitrophenyl thiocyanate N#CSc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O Tox21_301463 -NCGC00258381-01 196701948 tox21-ror-cho-viability-p1 set1 4 -1.28833959 -0.73164717 4.11244961 -0.308096 2.18046075 -1.54487926 2.93359854 4.42415301 -2.5205532 2.40943713 1.03927124 1.60097806 0.78581431 -2.4588716 3.87005218 1.196E-9 2.6749999999E-9 5.981E-9 1.337E-8 2.9899999999E-8 6.6869999999E-8 1.4949999999E-7 3.3429999999E-7 7.476E-7 0.0000016719999999 0.0000037379999999 0.0000083589999999 0.00001869 0.00004179 0.00009345 111-48-8 5447 144208025 A A 2,2'-Thiobisethanol OCCSCCO Tox21_200827 -NCGC00257798-01 196701959 tox21-ror-cho-viability-p1 set1 4 0.36627523 3.64079055 0.71688269 1.33730379 2.71155217 3.61997776 2.62017652 2.29311653 8.56329831 1.26027509 2.50181591 0.54225293 0.10807435 2.67735604 0.76247764 1.194E-9 2.6689999999E-9 5.969E-9 1.335E-8 2.985E-8 6.6739999999E-8 1.4919999999E-7 3.337E-7 7.4609999999E-7 0.000001668 0.0000037309999999 0.000008342 0.00001865 0.00004171 0.000093269999999 120-92-3 8452 144207442 AC F Cyclopentanone O=C1CCCC1 Tox21_200244 -NCGC00258062-01 196701967 tox21-ror-cho-viability-p1 set1 4 1.70815373 0.43214857 2.6573503 2.39958463 1.4415204 2.12097558 3.28171694 2.52805348 1.73374319 11.40915677 1.23348992 0.15986149 -0.1435438 0.21447711 4.69495865 1.183E-9 2.644E-9 5.913E-9 1.322E-8 2.9559999999E-8 6.611E-8 1.4779999999E-7 3.305E-7 7.3909999999E-7 0.0000016529999999 0.0000036949999999 0.000008263 0.00001848 0.00004132 0.00009239 613-50-3 11945 144207706 A A 6-Nitroquinoline [O-][N+](=O)c1ccc2ncccc2c1 Tox21_200508 -NCGC00258181-01 196702373 tox21-ror-cho-viability-p1 set1 4 6.11982314 -8.16664583 -1.61936658 0.90003073 -5.65335507 1.93731439 -3.57500393 0.27545628 -0.18908622 1.54607784 -6.10440958 -6.51949445 0.01613684 -3.60941702 6.41856289 1.1509999999E-9 2.5739999999E-9 5.7559999999E-9 1.2869999999E-8 2.878E-8 6.435E-8 1.4389999999E-7 3.217E-7 7.194E-7 0.000001609 0.0000035969999999 0.000008044 0.00001799 0.00004022 0.00008993 77-76-9 6495 144207825 FNS 2,2-Dimethoxypropane CC(C)(OC)OC Tox21_200627 -NCGC00258440-01 196702380 tox21-ror-cho-viability-p1 set1 4 6.7463685136 5.46137844 -3.46137844 2 4.9549173134 0.4420578867 0.2339323901 -6.65731198 -2.72525722 -2.92608242 -0.39202057 -8.09060203 -2.81621246 -3.22939018 -0.55137988 0.61936402 -8.3011487 -2.73552639 2.82682609 3.12002938 0.48244619 0.47943356 1.552E-9 3.471E-9 7.7619999999E-9 1.736E-8 3.8809999999E-8 8.6779999999E-8 1.94E-7 4.339E-7 9.7019999999E-7 0.000002169 0.000004851 0.00001085 0.00002426 0.00005424 0.0001213 556-88-7 11174 144208084 Nitroguanidine N=C(N)N[N+]([O-])=O Tox21_200886 -NCGC00258123-01 196715910 tox21-ror-cho-viability-p1 set2 4 3.1016876 2.81362537 0.35973325 0.66645936 2.15072681 7.0453076 0.22460764 0.83252216 1.94668435 1.82540393 4.00337271 2.2685142 5.01469027 2.79999642 0.89141866 1.2169999999E-9 2.7209999999E-9 6.0849999999E-9 1.361E-8 3.042E-8 6.803E-8 1.521E-7 3.401E-7 7.606E-7 0.0000017009999999 0.000003803 0.0000085039999999 0.00001901 0.00004252 0.000095069999999 623-15-4 212930 144207767 A Fns Furfural acetone O=C(C)C=Cc1ccco1 Tox21_200569 -NCGC00259513-01 196720920 tox21-ror-cho-viability-p1 set3 -2.1 54.2611240406 -109.2841901243 0.43961535 -108.8445747743 2.2481167061 0.9893688584 1.2E-9 -0.04778682 1.3789219 3.00461614 6.22820714 -0.1534678 0.249767 -1.86121804 -1.46152199 0.01473418 -0.53948946 -2.87921215 -0.02701629 -10.49305564 -34.32849529 -84.37563936 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.315E-8 2.94E-8 6.573E-8 1.4699999999E-7 3.2869999999E-7 7.3489999999E-7 0.000001643 0.0000036749999999 0.000008217 0.00001837 0.00004108 0.00009187 169590-42-5 2662 144209162 A A Celecoxib NS(=O)(=O)c1ccc(cc1)n3nc(cc3c2ccc(C)cc2)C(F)(F)F Tox21_201964 -NCGC00094532-06 196721303 tox21-ror-cho-viability-p1 set3 4 1.93571753 -0.59162809 1.96156238 -12.67537472 4.72098548 1.17440606 2.51703642 -15.11277631 3.38609128 -1.97224849 -0.64649936 3.48594783 -15.02655404 0.09646454 3.61748233 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00257719-01 196716338 tox21-ror-cho-viability-p1 set2 4 3.44156508 1.46773163 0.30426583 1.77919871 1.8002801 3.22547012 -0.81895407 1.82828183 2.90141651 3.27482338 -1.38256894 3.32181368 -1.62179583 3.31868455 -0.88265124 1.1989999999E-9 2.6819999999E-9 5.997E-9 1.3409999999E-8 2.998E-8 6.705E-8 1.4989999999E-7 3.352E-7 7.496E-7 0.000001676 0.000003748 0.000008381 0.000018739999999 0.000041899999999 0.0000937 2403-88-5 75471 144207363 A A 2,2,6,6-Tetramethyl- 4-piperidinol OC1CC(C)(C)NC(C)(C)C1 Tox21_200165 -NCGC00258054-01 196715923 tox21-ror-cho-viability-p1 set2 4 0.9106072 -0.37985825 2.29558594 0.76228851 -0.51809455 1.39332865 1.70835444 1.88454203 3.41993285 -0.20057168 1.07055017 4.37725046 4.44104679 -0.7260707 0.2326948 1.19E-9 2.6619999999E-9 5.951E-9 1.331E-8 2.976E-8 6.654E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.00000372 0.000008317 0.0000186 0.00004159 0.000092989999999 24589-77-3 90547 144207698 FC 4-Hydrazinobenzoic acid hydrochloride Cl.NNc1ccc(cc1)C(=O)O Tox21_200500 -NCGC00258128-01 196716337 tox21-ror-cho-viability-p1 set2 4 -0.23115029 -2.38833572 -1.53982059 -1.74522556 -1.63324614 -3.51417264 1.35749791 0.37666814 -2.45571699 1.23182899 1.00648294 -2.59801385 0.55924629 -0.25540938 -0.12874477 1.183E-9 2.645E-9 5.913E-9 1.322E-8 2.9569999999E-8 6.611E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.0000082639999999 0.00001848 0.00004132 0.0000924 14639-25-9 151932 144207772 FNS Chromium picolinate [Cr+3].[O-]C(=O)c1ccccn1.[O-]C(=O)c1ccccn1.[O-]C(=O)c1ccccn1 Tox21_200574 -NCGC00257789-01 196716349 tox21-ror-cho-viability-p1 set2 4 -4.38255986 -2.08208043 -4.62904381 -4.87000915 -3.11738917 -3.94397863 -2.00040131 -4.01808245 -5.12056924 -0.05885975 0.82317203 -2.53859895 1.88720362 1.25243082 0.3624602 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.000041429999999 0.000092629999999 542-75-6 24883 144207433 C 1,3-Dichloropropene ClC=CCCl Tox21_200235 -NCGC00163179-03 196716741 tox21-ror-cho-viability-p1 set2 4 0.7497803863 3.874891692 -2.374891692 1.5 2.1210667061 0.4564767239 0.2221808798 -1.51483009 -1.63189659 -6.01468011 -0.03187933 -1.43680569 -6.97907641 -1.33668024 -0.91815668 -1.56145284 -0.68382462 0.5151024 4.68804896 1.30886527 0.22507637 0.5312443 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 96744-75-1 105104 170466866 A U-69593 O=C(Cc1ccccc1)N(C)[C@H]2CC[C@]4(C[C@@H]2N3CCCC3)CCCO4 Tox21_112026_1 -NCGC00249084-02 196716756 tox21-ror-cho-viability-p1 set2 4 1.76585108 1.33697774 -0.1534036 3.58816932 3.57292688 0.6327563 5.55546925 5.21955611 0.66057838 1.94437199 1.39247618 1.28480911 0.1786033 1.39411205 2.55191874 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 551-92-8 3090 170466369 A A 1,2-Dimethyl-5-nitroimidazole O=[N+]([O-])c1cnc(C)n1C Tox21_113657 -NCGC00167434-02 196716757 tox21-ror-cho-viability-p1 set2 4 -2.28682664 -2.54720403 -1.23115908 -2.46575938 -1.07156159 0.33693961 1.16406487 -0.65307266 -2.96404798 -1.96420059 -3.41643265 -2.16510878 -2.00004187 -2.35550847 0.54503682 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 100299-08-9 443866 170465431 A Pemirolast potassium [K+].CC3=CC=CN1C3=NC=C(C1=O)c2[n-]nnn2 Tox21_112438_1 -NCGC00182983-01 196716766 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -14.857394396 -1 -15.857394396 4.9549173134 0.3645522792 0.3065957176 2.98593397 2.48574994 -0.87702414 -9.80918562 -0.97271016 -1.38124253 -11.1207204 -0.87297978 -0.3702124 -0.83557956 0.39612698 2.72843501 1.38896603 -1.2610839 -13.21449533 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15387-18-5 9568078 144206829 A A Fezatione S=C2SC=C(N2/N=C/c1ccc(C)cc1)c3ccccc3 Tox21_113278 -NCGC00015252-12 196717172 tox21-ror-cho-viability-p1 set2 4 1.6785492 7.8296152279 -7.8296152279 0 3.1319983358 0.3598606854 0.3108066186 -10.71049322 -4.99377143 -4.20756008 -18.60801269 -8.15653245 -0.77744245 -1.34831829 -11.65038485 -4.71418431 -11.33789224 -1.99101396 -0.9694697 0.78008805 -0.21342166 -0.8474793 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 129-03-3 2913 170465127 A Cyproheptadine hydrochloride CN1CC\C(CC1)=C2\c4ccccc4C=Cc3ccccc23 Tox21_110112_1 -NCGC00254836-01 196714193 tox21-ror-cho-viability-p1 set2 4 1.75097649 -8.33605882 -4.70082499 -3.97582838 -5.8500237 -5.75460198 -6.37394489 -4.27282458 -5.1973385 -1.18159904 -4.03992213 -5.00819195 -1.42293128 -4.39624868 -2.02679802 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-74-4 249494 144211251 A A 3,7-Dimethyloctane-1,7-diol OCCC(C)CCCC(C)(C)O Tox21_300934 -NCGC00018234-07 196712956 tox21-ror-cho-viability-p1 set2 4 0.31923663 0.4265788 0.64853145 2.07278323 1.74517694 1.91889915 0.28208173 0.81934991 0.53260869 2.62604999 -1.25830311 0.38267371 0.73904084 0.22161392 0.94320936 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-67-0 5324 170465708 A Sulfaguanidine Nc1ccc(cc1)S(=O)(=O)NC(=N)N Tox21_110329_1 -NCGC00015095-15 196713373 tox21-ror-cho-viability-p1 set2 4 0.0000063293 -19.55412853 0.11748688 1.41787266 2.05793309 1.48483636 0.30465469 3.78095761 3.65902864 2.89643824 3.87304491 1.38641936 1.03403424 0.75467357 0.43526631 3.61428491 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 549-18-8 11065 170464758 A Amitriptyline hydrochloride Cl.CN(C)CC\C=C1\c3ccccc3CCc2ccccc12 Tox21_113122_1 -NCGC00016265-08 196713383 tox21-ror-cho-viability-p1 set2 4 1.55987128 1.70920381 2.99799684 0.03838247 -0.44282826 3.14139307 1.87153854 1.61374075 0.68369221 1.59557863 1.39462131 3.23904952 0.46596666 1.22483924 -0.34299165 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-30-3 6037 170464833 A Folic acid O=C(O)[C@H](CCC(=O)O)NC(=O)c1ccc(cc1)NCc2cnc3NC(N)=NC(=O)c3n2 Tox21_111559_1 -NCGC00259994-01 196711739 tox21-ror-cho-viability-p1 set2 4 -5.98082305 -8.0393057 -9.38273385 -7.15661423 -4.76998285 0 0 1.73014646 0 0 0 -11.10585183 0 -10.87729336 -9.89316947 1.125E-9 2.516E-9 5.6259999999E-9 1.2579999999E-8 2.8129999999E-8 6.29E-8 1.4069999999E-7 3.1449999999E-7 7.033E-7 0.0000015729999999 0.000003516 0.000007863 0.000017579999999 0.00003931 0.000087909999999 34256-82-1 1988 144209643 A A Acetochlor ClCC(=O)N(COCC)c1c(C)cccc1CC Tox21_202445 -NCGC00163953-03 196711323 tox21-ror-cho-viability-p1 set2 -2.1 40.8964459334 -109.725847162 2.1088802386 -107.6169669234 2.4063783767 0.9287454938 0.0000563532 -1.490317 -3.1259174 -1.30070139 1.62625077 1.1752819 -12.1569453 4.8579516 -3.11645882 7.99266683 11.53740903 -1.11076858 4.71647648 5.12196705 -64.07799977 -93.9066029 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00260563-01 196711724 tox21-ror-cho-viability-p1 set2 4 0.6682424727 5.290068524 -5.290068524 0 4.9549173134 0.3652807726 0.3233447834 -3.98289777 -1.56286913 -3.16040134 -0.77786924 -7.03587336 -2.27551603 -11.49172377 -6.64907566 -9.93131013 0 0 0 0 -1.91783942 -9.15757107 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49459 144210216 M M NTP Mix71 CT1 62-EQP Tox21_203018 -NCGC00357202-01 196711736 tox21-ror-cho-viability-p1 set2 2.4 61.130564862 27.36411128 0.63588872 28 2.2526478767 0.8510337623 0.0021960328 -2.2610744 -1.88400044 -0.56897803 0.38036211 0.85586436 -2.3867594 -1.60928012 4.96618509 3.34071514 2.07676026 0.15128319 4.44692411 2.9636724 7.85724552 21.03753245 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-82-5 7722 251919842 B 4-Methylbenzyl chloride Cc1ccc(CCl)cc1 Tox21_303978 -NCGC00357188-01 196711743 tox21-ror-cho-viability-p1 set2 -2.4 61.130564862 -24.664505508 0 -24.664505508 4.9549173134 0.7258898795 0.0275931702 -3.01330652 -1.01269208 -2.99097644 -3.35687065 -4.03264961 -2.06006033 0.24367488 1.86682021 -1.47897466 -3.11554562 8.02989573 3.61860814 4.40927414 -3.11024422 -21.80375459 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1100-88-5 70671 251919850 A Benzyltriphenylphosphonium chloride [Cl-].C(c1ccccc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4 Tox21_303954 -NCGC00091483-03 196712140 tox21-ror-cho-viability-p1 set2 4 1.60600218 -0.08401968 -4.17038115 -5.57589626 -5.70105503 -3.01157775 2.12703762 -5.43142618 -2.56566434 -5.6863268 -3.725882 -0.03174101 1.28849005 -0.19328404 0.92648363 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00260280-01 196712148 tox21-ror-cho-viability-p1 set2 4 -3.85491309 -3.47642212 -9.15013967 -6.25504357 -5.49146285 0 -28.05824483 -15.487507 -29.6252338 0 -11.9172601 0 -11.9176628 -6.5880106 3.40638541 4.973E-11 1.112E-10 2.486E-10 5.559E-10 1.243E-9 2.78E-9 6.216E-9 1.3899999999E-8 3.108E-8 6.949E-8 1.554E-7 3.4749999999E-7 7.77E-7 0.000001737 0.0000038849999999 191-24-2 9117 144209930 A Benzo(g,h,i)perylene c3cc2ccc1cccc6c1c2c4c3ccc5cccc6c45 Tox21_202732 -NCGC00015110-09 196712556 tox21-ror-cho-viability-p1 set2 4 -5.50049074 -1.07987412 -5.33330634 -3.35868105 -4.70903144 -3.58334985 1.92127503 2.45717727 -0.8490764 1.36711104 2.18186807 -1.25218774 -6.58295888 0.09500163 -1.19326272 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 125-84-8 2145 170465259 A Aminoglutethimide CCC1(CCC(=O)NC1=O)c2ccc(N)cc2 Tox21_110406_1 -NCGC00022612-11 196712560 tox21-ror-cho-viability-p1 set2 4 2.07614901 -0.08389997 0.1493733 2.72513525 1.00282582 -0.43599352 1.01302335 2.63030269 -0.27965257 1.8178001 1.68534311 -1.02854495 2.56968828 2.56694872 1.64647208 1.1799999999E-10 2.638E-10 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 53994-73-3 51039 170464885 Cc Cefaclor ClC=3CS[C@H]2N(C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C=3C(=O)O Tox21_110880_1 -NCGC00256682-01 196707387 tox21-ror-cho-viability-p1 set1 4 0.0019331182 -10.0148256641 -2.7036632719 -12.718488936 3.1319983358 0.5235780415 0.1764226018 -4.33638606 -9.93615962 -12.8447257 -13.80273713 -8.53755186 -14.47757124 -9.54362084 -10.67311828 -12.1353452 -13.34331214 -14.19032746 -16.84874078 -15.84851223 -12.31748421 -3.55940177 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47140 57483158 144212796 D Isopropyl citrate (Mixture) OC(CC(=O)O)(CC(=O)O)C(=O)OC(C)C Tox21_302479 -NCGC00257228-01 196707005 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -10.84095774 -1 -11.84095774 4.9549173134 0.5944830447 0.1037090017 -1.59445788 -0.80086791 -2.37547653 -2.89791415 -0.38128792 -3.94664234 -0.30717582 -2.10664522 1.22133513 2.19032239 -1.46855165 -2.12972373 -2.72958879 -0.22003737 -9.03413145 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2078-54-8 4943 144213542 Z Z Propofol CC(C)c1cccc(C(C)C)c1O Tox21_303225 -NCGC00259457-01 196706585 tox21-ror-cho-viability-p1 set1 4 -13.90719322 -6.79643366 -12.00325828 -11.84732916 -4.47398115 -6.56423016 -8.72174678 -6.07471548 -7.80925012 -9.30935604 -13.46560563 -15.81856512 -7.18812391 -12.72315921 -17.70019339 1.172E-9 2.6199999999E-9 5.858E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.275E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008187 0.00001831 0.000040929999999 0.00009153 609-20-1 11860 144209106 A A 2,6-Dichloro-1,4-benzenediamine Clc1cc(N)cc(Cl)c1N Tox21_201908 -NCGC00259568-01 196706594 tox21-ror-cho-viability-p1 set1 4 1.61654391 6.57467625 4.13268264 2.38138676 5.12760549 -0.69328552 1.48024127 1.34443876 5.24654576 7.23222487 -0.56577977 3.92514988 -1.44723157 0.09559804 -0.8492395 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 0.000091709999999 87-25-2 6877 144209217 A A Ethyl anthranilate Nc1ccccc1C(=O)OCC Tox21_202019 -NCGC00257483-01 196706993 tox21-ror-cho-viability-p1 set1 4 5.19481882 0 -0.20929822 6.78215217 1.5870626 5.70219586 -0.77040501 -0.08773921 6.49223966 1.45980642 0.51726937 5.03876701 0.78092532 6.34934568 10.90879004 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6728-26-3 5281168 144213702 F (2E)-2-Hexenal CCC\C=C\C=O Tox21_303390 -NCGC00257117-01 196707419 tox21-ror-cho-viability-p1 set1 4 61.130564862 9.67802346 0.32197654 10 0.9999999999 0.4476929609 0.2308047972 1.27481536 2.47725525 -1.58536384 0.40596959 -2.36658853 -1.0823818 1.13764445 2.52374598 2.74593297 -3.06501955 1.85094971 1.56920407 4.52277797 1.50006747 7.42947854 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-49-9 8119 144213621 F Fns Hexamethyleneimine C1CCCCCN1 Tox21_303304 -NCGC00257381-01 196707427 tox21-ror-cho-viability-p1 set1 4 -0.70763102 0.74095961 1.11282955 0.68623508 0.35609024 5.56183369 5.85697996 0.7543138 -0.39165464 0.95998383 1.6187327 0.5263652 2.64140877 5.5585757 9.75489126 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17689-77-9 87244 144213724 F Fns Ethyltriacetoxysilane O=C(C)O[Si](OC(C)=O)(OC(=O)C)CC Tox21_303413 -NCGC00257410-01 196707429 tox21-ror-cho-viability-p1 set1 4 5.18096759 -4.89551163 0.13759429 -0.6872661 2.42165342 1.80760336 6.29020157 4.62617882 1.34587864 0.22669591 1.79654311 1.022996 0.24912728 0.07206872 5.54819994 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7775-27-1 62655 144213897 F Sodium persulfate [Na+].[Na+].O=S(=O)([O-])OOS([O-])(=O)=O Tox21_303592 -NCGC00257248-01 196707830 tox21-ror-cho-viability-p1 set1 4 -4.76978095 0.17289271 -5.71210045 0.1380706 -8.77783996 -3.75994938 0.39068355 -2.12581177 -10.82643215 0.39993833 -0.03886365 -1.38200274 -4.64912395 -5.70342943 -6.44330212 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_48516 23700188 144213844 A A PharmaGSID_48516 [Na+].O=C([N-]S(=O)(=O)/C=C/c1ccccc1)c2ccc(F)cc2Cl Tox21_303538 -NCGC00091080-03 196708245 tox21-ror-cho-viability-p1 set1 4 5.117544493 -13.460039808 0 -13.460039808 2.5334283767 0.8538434463 0.0020117137 -0.44383405 -0.21945728 -6.24868231 0.36696265 1.78008017 -0.31829845 0.13793459 -0.88385373 1.37870941 3.03660787 -5.51466206 -8.58851623 -14.28164826 -14.96669984 -11.23584202 1.1199999999E-9 2.5029999999E-9 5.5979999999E-9 1.2519999999E-8 2.799E-8 6.258E-8 1.399E-7 3.129E-7 6.9969999999E-7 0.0000015649999999 0.000003499 0.000007823 0.000017489999999 0.00003912 0.000087459999999 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00257063-01 196708246 tox21-ror-cho-viability-p1 set1 4 0.80059466 1.13869703 3.41345612 4.00086979 1.01254676 -2.45285435 4.43452165 3.35803701 -1.70433735 5.01231397 -3.87931662 0.11179895 0.4627776 1.96442293 0.02632568 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 118-56-9 8362 144213399 A Ac 3,3,5-Trimethylcyclohexyl salicylate O=C(OC1CC(C)CC(C)(C)C1)c2ccccc2O Tox21_303082 -NCGC00257303-01 196708247 tox21-ror-cho-viability-p1 set1 4 30.6378586933 14.6501614399 -11.6501614399 3 0.8999999999 0.5335392327 0.1498522378 -13.06117935 -8.18467491 -9.95014249 -10.22621576 -13.11858711 -11.33683759 -11.69233357 -10.48927419 -13.63106668 -16.7918012 -8.72529587 -0.7356259 -8.23316354 -7.02780376 1.59524995 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6119-47-7 2723885 144213870 A A Quinine hydrochloride dihydrate Cl.O.O.COc1cc2c(cc1)nccc2[C@@H](O)[C@@H]4CC3CCN4C[C@@H]3C=C Tox21_303565 -NCGC00256854-01 196708257 tox21-ror-cho-viability-p1 set1 4 2.25097515 0.06319878 0.47803774 2.15756579 2.66663326 0.75706071 0.87579452 2.4910531 0.58344508 2.50705703 4.28425997 1.68631697 3.34836078 2.41075134 -1.90217256 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-19-4 6873 144212832 A A Isobutyl salicylate Oc1ccccc1C(=O)OCC(C)C Tox21_302515 -NCGC00356981-01 196703625 tox21-ror-cho-viability-p1 set1 4 5.23292944 0.02786857 -1.37208695 -0.25470324 -1.09053068 -2.29402006 -0.51196901 -0.1467498 -1.33614877 0.48905106 0.44929792 0.02152459 -1.35263407 1.9621142 2.64466418 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51384-51-1 4171 251919670 A Metoprolol CC(C)NCC(O)COc1ccc(cc1)CCOC Tox21_303972 -NCGC00258025-01 196702796 tox21-ror-cho-viability-p1 set1 4 -1.79234343 2.15113621 0.30474977 -0.13604787 2.62058244 5.39205227 4.44462653 -2.51276028 2.43043536 2.45939459 3.81132365 1.92924802 1.25460262 -1.99109348 1.46102928 1.21E-9 2.7049999999E-9 6.048E-9 1.352E-8 3.024E-8 6.7619999999E-8 1.512E-7 3.381E-7 7.5599999999E-7 0.000001691 0.00000378 0.0000084529999999 0.0000189 0.00004226 0.000094499999999 122-96-3 67151 144207669 A A 1,4-Piperazinediethanol OCCN1CCN(CC1)CCO Tox21_200471 -NCGC00260489-01 196703194 tox21-ror-cho-viability-p1 set1 4 -1.40594464 2.72816078 1.99886081 6.80141141 2.34818247 -0.26197125 1.48907295 0.28611473 6.04039347 -1.40376819 2.85967969 -1.12024007 1.07240587 -2.60402789 -1.28534734 1.198E-9 2.68E-9 5.992E-9 1.34E-8 2.996E-8 6.7E-8 1.4979999999E-7 3.35E-7 7.491E-7 0.000001675 0.000003745 0.000008375 0.00001873 0.00004187 0.00009363 7364-25-2 81829 144210141 A A 3-Indazolinone O=C1NNc2ccccc12 Tox21_202943 -NCGC00260248-01 196703615 tox21-ror-cho-viability-p1 set1 4 0.0278623341 -5.1054481119 4.5 -0.6054481119 0.7999999999 0.3854533964 0.2896659174 3.82879189 5.51763773 3.34846833 -1.32784103 4.46134163 1.54910889 1.30359248 1.15343014 -3.07970229 -4.67120676 -0.13407784 0.98048309 -1.41923654 3.53022141 -1.97789646 1.1999999999E-9 2.683E-9 6E-9 1.3419999999E-8 3E-8 6.7089999999E-8 1.5E-7 3.3539999999E-7 7.5E-7 0.000001677 0.0000037499999999 0.0000083859999999 0.00001875 0.00004193 0.00009376 474368-70-2 2734181 144209898 FNS 1-Hexylpyridinium tetrafluoroborate F[B-](F)(F)F.CCCCCC[n+]1ccccc1 Tox21_202700 -NCGC00357249-01 196704031 tox21-ror-cho-viability-p1 set1 4 -0.57614406 -1.16294236 -0.04980827 0.12360471 -1.43202598 0.03112511 0.09567398 -2.15509969 0.724465 -2.34164809 -5.97573654 0.40864872 1.29928811 -4.79900468 0.58493412 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2832-40-8 5359815 251919645 Ac C.I. Disperse Yellow 3 Oc2ccc(C)cc2/N=N/c1ccc(NC(C)=O)cc1 Tox21_304042 -NCGC00260042-01 196704034 tox21-ror-cho-viability-p1 set1 4 -1.66969808 -0.44200652 5.97582452 2.22282656 1.16387826 0.55065513 -0.29679515 1.92822708 -0.10825426 -0.27807739 -0.48566523 -0.59916861 5.06825151 0.96655811 0.30096029 1.194E-9 2.671E-9 5.972E-9 1.335E-8 2.986E-8 6.677E-8 1.493E-7 3.338E-7 7.465E-7 0.000001669 0.000003733 0.000008346 0.00001866 0.000041729999999 0.00009331 8024-48-4 144209691 ND Casanthrol Tox21_202493 -NCGC00163774-04 196704035 tox21-ror-cho-viability-p1 set1 4 1.08581294 6.19698794 2.60644927 -0.41940627 -0.66993259 -5.31752716 0.17292042 2.72120154 2.08785732 2.26901571 0.61945709 -6.15881663 2.27179672 2.93060449 -0.5873845 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00091086-02 196704045 tox21-ror-cho-viability-p1 set1 4 -2.50241864 -3.47343169 -0.32723255 -3.03695695 -6.36217206 -3.62552432 -2.48723855 -7.68062909 -0.02951324 -4.50436331 -7.53370184 0.27794233 -0.03113162 -0.62158692 0.74939823 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00142623-04 196704445 tox21-ror-cho-viability-p1 set1 4 0.58428383 -3.14289603 -0.177911 0.09088581 -3.73380597 0.18149191 0.23580405 0.16644117 0.58197218 0.24041949 2.15377859 0.470197 2.78424599 0.28069274 5.57881717 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71-63-6 441207 170464713 F Digitoxin O=C1C=C(CO1)[C@H]8CC[C@@]7(O)[C@]8(C)CC[C@H]3[C@H]7CC[C@@H]2C[C@H](CC[C@@]23C)O[C@@H]6O[C@H](C)[C@@H](O[C@H]5C[C@H](O)[C@H](O[C@H]4C[C@H](O)[C@H](O)[C@@H](C)O4)[C@@H](C)O5)[C@@H](O)C6 Tox21_111659_1 -NCGC00178860-06 196704451 tox21-ror-cho-viability-p1 set1 4 1.8833631789 -4.6218108279 1 -3.6218108279 4.4494702849 0.4718040497 0.2071818179 0.16598639 0.1344878 2.1791573 -3.93080207 2.2176189 -1.42401201 2.29712497 4.50636571 -1.24937168 2.98972172 -1.14115197 -4.15133678 -3.66463456 -1.63527182 -5.51817569 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1094-08-2 122824 170465065 A Ethopropazine hydrochloride Cl.CCN(CC)C(C)CN1c3ccccc3Sc2ccccc12 Tox21_110496_1 -NCGC00166260-03 196704452 tox21-ror-cho-viability-p1 set1 4 -2.423174 0.48751676 1.39005315 1.02975599 -0.49609099 -0.46182109 -0.96062959 -0.81833512 1.16982431 1.59426305 1.38058966 -2.10685568 -1.1532169 -1.90327067 -1.25443685 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3896-11-5 62531 170466547 F Bumetrizole CC(C)(C)c1cc(C)cc(c1O)n2nc3ccc(Cl)cc3n2 Tox21_112379_1 -NCGC00253702-01 196704455 tox21-ror-cho-viability-p1 set1 4 2.04387309 -0.20024798 0.27510522 1.76670327 2.01371668 1.11579545 1.49770202 0.69232496 0.79638712 1.58589108 0.69351957 -5.36261825 1.37556416 -5.42595013 -1.0866424 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 92-39-7 7088 170466693 A F 2-Chlorophenothiazine Clc1cc2Nc3ccccc3Sc2cc1 Tox21_113822 -NCGC00018200-12 196704459 tox21-ror-cho-viability-p1 set1 4 1.88946215 1.46732008 1.68580459 2.81617797 1.81000081 6.91902174 -1.13602306 -0.1249856 2.02292737 2.49257208 1.67645082 0.20907642 6.02015325 -1.18888228 1.18902489 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77-09-8 4764 170465559 A Phenolphthalein Oc1ccc(cc1)C3(OC(=O)c2ccccc23)c4ccc(O)cc4 Tox21_110838_1 -NCGC00163927-04 196703640 tox21-ror-cho-viability-p1 set1 4 4.17667726 3.37585257 3.76161907 2.91511704 -1.15389812 3.21392359 1.94505115 3.6153347 -1.04336039 1.64850871 3.9630346 3.98069016 -1.75434124 -0.37218118 -1.20502603 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00257041-01 196718826 tox21-ror-cho-viability-p1 set2 -2.1 48.5577336745 -85.3139921936 -3.148506168 -88.4624983616 2.3331733767 0.9474746741 0.0000109971 -1.67222775 -1.47935432 -0.34638714 0.04129502 -10.84970756 -4.12282047 -5.01456814 -1.45394256 -7.33420545 -11.0193472 0.3013508 -3.23745196 -2.42016025 -42.76428223 -71.18371088 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1918-16-7 4931 144213353 A B Propachlor CC(C)N(C(=O)CCl)c1ccccc1 Tox21_303036 -NCGC00257377-01 196718414 tox21-ror-cho-viability-p1 set2 4 68.5198756601 -18.968970264 2 -16.968970264 4.9549173134 0.792052836 0.0094558455 2.79168393 2.36467146 1.69326612 2.23126027 0.05627951 2.78423344 3.04345827 3.67849223 4.12653674 4.16039015 4.78258085 -3.19961924 -0.30237647 1.03303786 -13.30747522 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 98730-04-2 62306 144213675 A A Benoxacor ClC(Cl)C(=O)N1c2ccccc2OCC1C Tox21_303359 -NCGC00256634-01 196718821 tox21-ror-cho-viability-p1 set2 4 -0.76254858 -4.11241795 -1.05220382 1.0269184 -5.70844025 -2.77583588 -3.12922387 6.40998773 -5.79168802 -5.39915259 -0.33690945 -0.27846269 0.1365678 -0.0563239 5.99248267 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1679-51-2 15512 144212954 A A Cyclohex-3-en-1-ylmethanol OCC1CC=CCC1 Tox21_302637 -NCGC00256569-01 196718822 tox21-ror-cho-viability-p1 set2 4 7.6958821542 -9.882141708 7.5 -2.382141708 4.9549173134 0.6952971091 0.0404625159 6.37797137 6.91790645 0.01885437 8.96652136 6.72665813 11.37802652 7.70601512 10.63482098 6.47744223 7.57422863 11.22862504 1.57871697 -1.28062609 -1.26038479 -4.48511809 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-91-0 68570 144213948 A A 17alpha-Estradiol Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@H](O)CC[C@@H]12)c4cc3 Tox21_303644 -NCGC00256892-01 196718827 tox21-ror-cho-viability-p1 set2 4 -0.9665054 -0.35576425 -0.48299375 -0.42800169 6.46774497 4.51181019 4.66837416 3.44935117 -0.13682504 3.54289588 -0.01461254 -0.16859009 0.87693484 0.15661017 3.06123085 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-38-8 7651 144212821 A A Benzyl 3-methylbutanoate CC(C)CC(=O)OCc1ccccc1 Tox21_302504 -NCGC00256703-01 196719265 tox21-ror-cho-viability-p1 set2 4 0.05796663 -4.1078917 -1.19611719 -3.6880734 -8.78251778 -5.586601 -2.80180399 -1.06585601 0.19119857 -2.58531733 -0.64245116 1.09852191 -1.15605919 -1.36905948 -1.21704523 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99300-78-4 62923 144212825 A A Venlafaxine hydrochloride Cl.OC1(CCCCC1)C(CN(C)C)c2ccc(OC)cc2 Tox21_302508 -NCGC00256861-01 196719268 tox21-ror-cho-viability-p1 set2 4 0.26944764 0.61949753 0.3621346 2.12737607 0.96298208 4.80922009 5.00495969 5.22648074 5.25822536 5.6513542 -0.0209946 6.44977135 3.59080817 1.64493555 1.28424387 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22047-49-0 13132266 144212936 F Fns 2-Ethylhexyl octadecanoate O=C(CCCCCCCCCCCCCCCCC)OCC(CCCC)CC Tox21_302619 -NCGC00254389-01 196715120 tox21-ror-cho-viability-p1 set2 4 4.98451474 1.93687203 2.56319875 1.18763708 3.38432077 3.6251345 4.03722183 0.23371885 1.75053873 1.4241087 1.59559515 5.51889144 5.64972983 3.70140975 2.47688639 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-04-9 196 144210662 A A Hexanedioic acid OC(=O)CCCCC(=O)O Tox21_300344 -NCGC00254216-01 196714712 tox21-ror-cho-viability-p1 set2 4 -4.12064057 -2.25371681 -6.13179642 -4.26687621 -6.83616408 -1.35192314 -4.20298123 -3.98570492 -4.72781441 -4.36932017 -4.76588359 -4.4417033 -7.93341168 -2.27573254 -4.90617017 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-05-2 126941 144210589 A B Methotrexate O=C(O)[C@H](CCC(=O)O)NC(=O)c1ccc(cc1)N(C)Cc2nc3c(nc2)nc(N)nc3N Tox21_300269 -NCGC00255047-01 196715103 tox21-ror-cho-viability-p1 set2 4 2.11069623 0.46651568 1.83476563 -0.99853839 -0.51927221 -0.84890485 3.27977622 1.57407451 0.97071 2.37454189 1.7338006 3.41515096 7.63952788 1.00463697 0.06649134 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-09-7 2337 144211466 A A Benzocaine Nc1ccc(cc1)C(=O)OCC Tox21_301149 -NCGC00254202-01 196715119 tox21-ror-cho-viability-p1 set2 4 -1.61774095 -3.5798679 -0.34532571 -0.29665434 -2.50991092 -1.09586818 0.46998192 -2.38424227 -1.78209304 -4.17143102 -2.21912489 2.73867267 -0.48394677 2.46495683 -0.48178587 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-73-8 31357 144210427 A A Tributyl phosphate CCCCOP(=O)(OCCCC)OCCCC Tox21_300107 -NCGC00254332-01 196715122 tox21-ror-cho-viability-p1 set2 4 -0.80126158 2.31388865 -4.9953958 -10.23195483 -0.08512082 -7.29961609 -9.46595236 -3.70605047 -1.04069749 0.9872504 -4.08327306 2.40059038 -5.6507559 -4.18624267 2.47085201 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-24-2 7642 144210917 A F Bis(2-ethylhexyl) nonanedioate O=C(CCCCCCCC(=O)OCC(CC)CCCC)OCC(CCCC)CC Tox21_300600 -NCGC00254023-01 196715126 tox21-ror-cho-viability-p1 set2 2.1 39.4353192752 122.0057827283 -5.4996548951 116.5061278332 2.3331733767 0.9751108977 1.671E-7 0.27486622 -1.21641074 2.61013827 -0.46635487 -0.66887521 -6.36689829 -11.10660832 -13.28484052 -7.09477399 -8.5608833 -9.96941367 -2.10738857 5.60997132 61.52474814 102.7390898 1.202E-9 2.688E-9 6.0109999999E-9 1.344E-8 3.005E-8 6.7199999999E-8 1.503E-7 3.36E-7 7.5129999999E-7 0.0000016799999999 0.0000037569999999 0.0000084 0.00001878 0.000042 0.00009392 51-21-8 3385 144210432 A A 5-Fluorouracil FC1=CNC(=O)NC1=O Tox21_300112 -NCGC00254399-01 196714221 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -19.117298976 1.5 -17.617298976 4.9549173134 0.705744544 0.0358304312 4.80502281 4.4551014 0.37799193 -1.28226894 -1.96575826 -0.33748418 1.09092227 -1.58731658 1.31482729 -0.06266571 -1.50281206 5.28959877 3.00993449 3.62348799 -14.68108248 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 208-96-8 9161 144210904 B Ac Acenaphthylene c1cc2cccc3C=Cc(c1)c23 Tox21_300587 -NCGC00254303-01 196714223 tox21-ror-cho-viability-p1 set2 4 -2.73888305 -6.35097127 -3.83810122 -0.59830129 -3.11373204 -3.59529615 -1.88111031 -2.28642233 -2.85994986 -4.08388519 -3.64952605 -1.32112763 -5.69405175 -2.48835221 0.4261678 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-73-7 6853 144210889 A Ac Fluorene c1cccc2Cc3ccccc3c12 Tox21_300572 -NCGC00091830-04 196714229 tox21-ror-cho-viability-p1 set2 4 -2.37694311 -0.22620003 -1.2184335 -0.67010976 -0.9691761 -2.48986713 -0.2303787 -0.10807805 2.17060719 -0.3434731 3.4671329 2.46061638 -0.06665823 3.2795605 -4.15487248 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00254778-01 196714243 tox21-ror-cho-viability-p1 set2 4 0.30987359 0.59752812 0.41414178 0.43968648 0.49350808 0.88100812 2.61332728 0.53200767 0.73618253 0.16342459 0.35461401 2.55717879 5.4219828 2.49548883 5.20826895 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 30560-19-1 1982 144211191 A A Acephate O=C(C)NP(=O)(OC)SC Tox21_300874 -NCGC00255659-01 196727967 tox21-ror-cho-viability-p1 set3 -2.4 60.6956566923 -40.26788952 2 -38.26788952 2.0437424601 0.8181533849 0.0053073989 2.90381732 1.3961023 -1.48507714 -0.20676426 9.28784033 -1.32943483 9.24684141 7.66422663 1.22067595 1.78145528 -1.84727084 -1.30726334 -4.25946632 -8.29943648 -28.5565746 1.173E-9 2.622E-9 5.863E-9 1.311E-8 2.9319999999E-8 6.5549999999E-8 1.466E-7 3.2779999999E-7 7.329E-7 0.0000016389999999 0.000003665 0.000008194 0.00001832 0.000040969999999 0.00009161 299-84-3 9298 144211651 F F Fenchlorphos Clc1cc(OP(=S)(OC)OC)c(Cl)cc1Cl Tox21_301334 -NCGC00257328-01 196727541 tox21-ror-cho-viability-p1 set3 4 1.5342497744 -7.799005932 3.5 -4.299005932 4.9549173134 0.7737336146 0.0133360672 4.57152282 4.66465738 3.04422429 2.31329815 -0.08364889 2.65339177 6.1773328 2.5584267 5.93730219 1.83790987 -7.74917161 -3.6122435 -3.8669442 -5.32660691 -1.22251004 9.733E-10 2.176E-9 4.8659999999E-9 1.088E-8 2.433E-8 5.4409999999E-8 1.2169999999E-7 2.72E-7 6.083E-7 0.00000136 0.0000030409999999 0.000006801 0.00001521 0.000034 0.00007604 7328-97-4 62630 144213708 D 2,2',2'',2'''-[Ethane-1,1,2,2-tetrayltetrakis(4,1-phenyleneoxymethylene)]tetraoxirane c2cc(OCC1CO1)ccc2C(c4ccc(OCC3CO3)cc4)C(c6ccc(OCC5CO5)cc6)c8ccc(OCC7CO7)cc8 Tox21_303396 -NCGC00257150-01 196727555 tox21-ror-cho-viability-p1 set3 4 -0.16519706 -4.61572872 -0.46031944 -8.51409699 -0.55873276 0.18500077 -6.42070993 -4.52115246 -0.4107452 1.21015269 0.76918121 -0.54375141 -0.00149494 -4.94624059 -1.29381596 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-20-6 5192 144213580 A A Decanedioic acid O=C(O)CCCCCCCCC(=O)O Tox21_303263 -NCGC00255976-01 196727963 tox21-ror-cho-viability-p1 set3 4 -0.70854768 -1.67518792 3.92011828 5.13090389 -7.32726019 -1.23470808 -8.38368799 -9.01693316 6.63474614 -6.43535927 -4.37556602 -3.25580218 -6.17723368 3.47574766 4.78797574 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-53-3 7392 144212349 A A 4-tert-Butylcyclohexanone O=C1CCC(CC1)C(C)(C)C Tox21_302032 -NCGC00255163-01 196728368 tox21-ror-cho-viability-p1 set3 4 0.0273060203 -13.808153412 5 -8.808153412 0.2 0.4968729724 0.1838780214 0 3.32812862 -3.42804991 -3.06781604 -3.06405027 -2.91266902 -1.76625058 -3.32754092 -1.94134516 -5.52287761 -6.9629945 -5.05999132 -5.06260201 -1.95316511 -10.25679451 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 71-23-8 1031 144212757 A Ac 1-Propanol CCCO Tox21_302440 -NCGC00256256-01 196728386 tox21-ror-cho-viability-p1 set3 4 0.0544826733 7.8494007919 -3.8494007919 4 4.9549173134 0.4968030585 0.1817564492 -7.19132117 -2.16189132 -0.50578014 -1.62305265 -7.37450066 2.52957596 1.66688636 7.99109824 -0.592804 1.40080855 5.83935 9.7541747 -2.95552156 4.65910681 7.48570913 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7549-37-3 24191 144211936 F F 1,1-Dimethoxy-3,7-dimethylocta-2,6-diene COC(C=C(C)CC\C=C(/C)C)OC Tox21_301619 -NCGC00255382-01 196728390 tox21-ror-cho-viability-p1 set3 4 1.69393983 6.86410008 1.03516275 6.47208956 5.3475085 -1.5203192 -6.02332585 -1.07719594 -2.67826325 10.6382286 -7.80025928 -6.63796569 -0.542069 10.96674147 4.00653789 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-64-1 31298 144212387 A Fns Tetrakis(hydroxymethyl)phosphonium chloride [Cl-].OC[P+](CO)(CO)CO Tox21_302070 -NCGC00256213-01 196728391 tox21-ror-cho-viability-p1 set3 4 1.17006314 8.61960586 -4.21583455 -0.66257061 2.97442665 -1.23503193 -2.32125903 -0.27287765 3.31814432 -6.07017039 -3.36095583 0.3808459 8.47838166 2.5818024 2.70126388 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3778-76-5 19604 144211754 A A Todralazine hydrochloride Cl.O=C(OCC)NNc2nncc1ccccc12 Tox21_301437 -NCGC00255270-01 196728783 tox21-ror-cho-viability-p1 set3 4 0.06857533 -4.87798666 -0.16883194 -1.37237214 -0.57751437 -5.94007445 -0.74139623 0.09271897 1.02115465 -4.67503272 -5.41619241 0.11238477 -0.46139841 -1.65530672 -1.95321989 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 6145-73-9 22522 144212738 A B Tris(2-chloropropyl) phosphate ClC(C)COP(=O)(OCC(Cl)C)OCC(C)Cl Tox21_302421 -NCGC00090776-02 196707033 tox21-ror-cho-viability-p1 set1 4 2.64293905 0.2193395 0.57308938 0.59756044 0.7778989 -0.63211531 6.56174513 -0.2495641 2.14253202 -0.82266929 0.41832378 4.46434661 2.11856832 1.62603539 5.92596435 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009079 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00256446-01 196707436 tox21-ror-cho-viability-p1 set1 4 -7.02703541 4.39136147 5.19509509 -2.59824378 -2.8928821 -2.82125391 -6.02869695 0 -8.08931415 -5.38971082 -13.96828198 -4.0192197 -0.79705159 4.02471218 -3.1546702 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-06-5 6466 144213340 A A Gibberellic acid O=C(O)[C@H]3[C@@H]5[C@]1(C)C(=O)O[C@]5(C=C[C@@H]1O)[C@@H]4CC[C@]2(O)C[C@]34CC2=C Tox21_303023 -NCGC00259199-01 196706621 tox21-ror-cho-viability-p1 set1 4 -13.86577459 0.36915883 -1.83389585 -7.67284617 1.75030458 -0.7812796 -1.36536037 -2.34764595 9.9253247 -14.46801049 0.04455772 1.36023378 -0.12122935 1.26401737 1.69547276 1.198E-9 2.68E-9 5.992E-9 1.34E-8 2.996E-8 6.6989999999E-8 1.4979999999E-7 3.35E-7 7.4899999999E-7 0.000001675 0.000003745 0.000008374 0.000018719999999 0.00004187 0.00009362 462-08-8 10009 144208848 B Fns 3-Pyridinamine Nc1cccnc1 Tox21_201650 -NCGC00257039-01 196707021 tox21-ror-cho-viability-p1 set1 4 -14.45944203 -15.77208383 -9.63609527 -16.96364829 -9.43081221 -14.80851121 -14.48912881 -8.9399407 -15.94446085 -13.22823173 -24.42816045 -3.92293805 -15.39484088 -16.62633033 -9.83369411 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1675-54-3 2286 144213632 C A Bisphenol A diglycidyl ether CC(C)(c2ccc(OCC1CO1)cc2)c4ccc(OCC3CO3)cc4 Tox21_303315 -NCGC00257247-01 196707444 tox21-ror-cho-viability-p1 set1 4 -1.72432696 4.70099083 -2.19929825 1.34659088 -0.89073134 2.21897115 -1.75781322 2.74708505 2.52136088 -0.0159785 -1.98348012 3.66379788 -0.49690397 0.36273315 -0.79228572 7.078E-10 1.583E-9 3.539E-9 7.9139999999E-9 1.77E-8 3.9569999999E-8 8.848E-8 1.9779999999E-7 4.424E-7 9.892E-7 0.000002212 0.000004946 0.00001106 0.00002473 0.000055299999999 1434-54-4 15032 144213832 A A Pregnenolone carbonitrile CC(=O)[C@H]4[C@H](C#N)C[C@@H]3[C@]4(C)CC[C@H]2[C@H]3CC=C1C[C@@H](O)CC[C@@]12C Tox21_303525 -NCGC00016000-13 196707452 tox21-ror-cho-viability-p1 set1 -2.1 24.9068469976 -97.728062098 7.382024266 -90.346037832 0.2 0.679252133 0.0478429844 -0.08103568 -5.3950966 -10.4739039 -6.4579482 -9.2098727 -18.33109807 -18.22434294 -25.99076173 -32.52818243 -33.67969048 -30.73149233 -22.41498431 -32.41043016 -26.24202365 -75.28836486 1.203E-9 2.6909999999E-9 6.0159999999E-9 1.345E-8 3.0079999999E-8 6.726E-8 1.504E-7 3.3629999999E-7 7.52E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.000094 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00160537-04 196707850 tox21-ror-cho-viability-p1 set1 4 0.54127207 -0.50437054 0.26258937 -12.46105914 -2.91038351 -0.62281724 -1.88538566 -8.892673 -4.60134194 -5.38375681 -13.31799235 -3.14152131 -1.04401831 -2.44421839 -6.53684844 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00256888-01 196707854 tox21-ror-cho-viability-p1 set1 4 21.8386144897 8.8729242281 0.1270757719 9 3.9294729863 0.4861331412 0.1929143903 -0.3013813 3.652067 0.46017142 0.54670284 0.59945955 1.3056632 1.65508361 1.55052733 -0.00571602 -4.09906892 1.13336057 -0.00502626 -6.56077019 5.33046548 8.49397276 6.063E-10 1.3559999999E-9 3.032E-9 6.779E-9 1.5159999999E-8 3.39E-8 7.5789999999E-8 1.695E-7 3.79E-7 8.474E-7 0.0000018949999999 0.000004237 0.000009474 0.000021179999999 0.000047369999999 6381-91-5 22879 144212764 A B Calcium saccharin hydrate [Ca+2].O.O=C1[N-]S(=O)(=O)c2ccccc12.O=C1[N-]S(=O)(=O)c2ccccc12 Tox21_302447 -NCGC00256618-01 196707859 tox21-ror-cho-viability-p1 set1 -1.1 5.4482673282 -80.8286924279 -5.404080162 -86.2327725899 1.4641 0.9799124228 4.87E-8 -12.05973563 -3.02234216 -1.51536749 -9.39560851 -4.04837641 -6.22131029 -0.22789592 -7.02299829 -15.97660271 -15.28930184 -28.50649877 -61.99089027 -80.79128737 -81.5339465 -79.8541631 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-80-6 8342 144213348 A Ac Dichlone O=C2c1ccccc1C(=O)C(Cl)=C2Cl Tox21_303031 -NCGC00257047-01 196707870 tox21-ror-cho-viability-p1 set1 4 0.70151026 -0.61255152 -1.35790909 2.44615244 -14.44323071 -7.57262315 0.19538621 -0.87824335 -0.70756067 -9.16422125 -1.14610794 -15.32081458 1.38866186 -8.91792489 1.31186336 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 115-95-7 8294 144213451 B Ac Linalyl acetate O=C(C)OC(C)(CC\C=C(\C)C)C=C Tox21_303134 -NCGC00256725-01 196708266 tox21-ror-cho-viability-p1 set1 4 -8.1887832 -1.00839087 -4.38493001 -6.67258252 -10.03395224 -2.10045026 -7.89144132 -17.7616262 -15.59655128 -15.14559758 -13.45716905 -7.56923763 -8.80377496 -5.43280735 -6.86483858 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 933-48-2 1550823 144212900 A F (1R,5R)-3,3,5-trimethylcyclohexanol CC1(C)C[C@@H](C)C[C@@H](O)C1 Tox21_302583 -NCGC00256520-01 196708267 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -35.272012088 2.5 -32.772012088 4.9549173134 0.9093473423 0.0001971016 0.0566933 1.52610496 -1.19195826 0.28262249 -0.98427965 3.24744962 6.62278118 5.90688657 1.63978316 4.64668961 2.70281642 3.07682896 1.2849716 1.35487767 -26.47667674 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-63-0 5284421 144213234 F F Methyl linoleate O=C(CCCCCCC/C=C\C/C=C\CCCCC)OC Tox21_302917 -NCGC00253762-01 196704489 tox21-ror-cho-viability-p1 set1 4 2.95464594 2.38774666 1.31260735 1.33328814 -0.10524765 0.2253875 0.95336067 -0.00463358 0.50723587 2.05249548 -6.88948521 1.69943181 4.11449815 0.86556708 4.82071098 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 39512-50-0 415628 170466723 A A 1-(2-Chlorophenyl)piperazine Clc1ccccc1N2CCNCC2 Tox21_113875 -NCGC00167472-03 196704889 tox21-ror-cho-viability-p1 set1 4 -2.25457528 1.92959272 -0.29227012 1.25696236 -0.73828077 -4.20325814 1.05638717 2.91257521 1.77616948 1.00286793 -1.00524711 -1.57407793 -1.07751282 0.67113534 -1.41043629 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68302-57-8 2161 170465365 A Amlexanox CC(C)c1cc2C(=O)c3cc(c(N)nc3Oc2cc1)C(=O)O Tox21_112476_1 -NCGC00181305-01 196704482 tox21-ror-cho-viability-p1 set1 4 0.73955195 1.71895852 3.18988279 0.27727721 -0.60771654 0.69135383 -0.34347782 0.89370007 4.31105418 1.25640075 -0.48082196 -0.31778771 -6.65003022 1.97287013 0.6193275 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 18917-95-8 3045402 144206333 F A Magnesium salicylate tetrahydrate O.O.O.O.O=C3O[Mg]2(Oc1ccccc1C(=O)O2)Oc4ccccc34 Tox21_112780 -NCGC00015560-12 196704484 tox21-ror-cho-viability-p1 set1 4 26.6032120037 13.210930916 -3.210930916 10 4.0949729863 0.6402383511 0.0707435508 -3.50428878 -0.18495614 -6.66788859 -5.14278415 -1.05839785 -8.09244243 -2.36522377 -2.75729594 -4.64203312 -2.51277835 -1.32118728 0.77847116 -3.90849497 0.13348332 8.67887272 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79944-58-4 54459 170466595 A Idazoxan c1ccc2OC(COc2c1)C3=NCCN3 Tox21_110173_1 -NCGC00257939-01 196716352 tox21-ror-cho-viability-p1 set2 4 30.0468302678 10.443926864 -2.443926864 8 0.6999999999 0.5832425618 0.1112209047 -0.94891375 0.18584206 -5.61378747 -2.15423753 -0.03284043 -3.3586968 -7.03660572 -1.38076006 -1.28501354 -0.08381828 0.04461153 0.36917361 1.59160623 1.83027709 5.76564669 1.1609999999E-9 2.595E-9 5.803E-9 1.298E-8 2.9019999999E-8 6.488E-8 1.451E-7 3.244E-7 7.254E-7 0.000001622 0.0000036269999999 0.0000081099999999 0.00001814 0.000040549999999 0.00009068 98-15-7 7374 144207583 FNS 3-Chlorobenzotrifluoride FC(F)(F)c1cc(Cl)ccc1 Tox21_200385 -NCGC00258026-01 196716351 tox21-ror-cho-viability-p1 set2 4 2.02026378 0.0785958 -0.05634021 0.27392072 -1.97019772 1.29379991 -2.25987967 1.29548768 2.54121563 -2.11193451 0.57312602 1.06296391 -1.55214018 -0.97337584 3.48183564 1.1699999999E-9 2.615E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.538E-8 1.462E-7 3.269E-7 7.309E-7 0.0000016339999999 0.0000036549999999 0.000008172 0.00001827 0.00004086 0.00009137 622-96-8 12160 144207670 FNS 4-Ethyltoluene Cc1ccc(CC)cc1 Tox21_200472 -NCGC00258052-01 196716365 tox21-ror-cho-viability-p1 set2 4 4.90821121 3.1109256 0.94892045 3.63537933 5.0292967 5.60393278 2.53375564 2.55119139 2.05588986 1.96565009 0.41827529 3.02898527 0.2625801 1.59788084 4.6831377 1.2009999999E-9 2.6849999999E-9 6.0039999999E-9 1.3429999999E-8 3.002E-8 6.7129999999E-8 1.501E-7 3.356E-7 7.505E-7 0.0000016779999999 0.0000037519999999 0.000008391 0.00001876 0.00004195 0.00009381 1072-53-3 14075 144207696 FNS Ethylene glycol, cyclic sulfate O=S1(=O)OCCO1 Tox21_200498 -NCGC00163774-04 196716770 tox21-ror-cho-viability-p1 set2 4 -0.77245996 0.11502967 1.48880685 3.1461162 3.01727884 7.30972767 4.39681001 2.95899061 1.26673884 0.60869919 -0.01804766 3.02678501 0.64809574 1.30035826 -0.38564424 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00247677-01 196716771 tox21-ror-cho-viability-p1 set2 4 0.8229509638 -7.2227947519 -2 -9.2227947519 4.9549173134 0.4963400342 0.1992590679 -0.91633506 -5.68945589 -4.01567691 0.45629632 -0.64875468 -7.73116363 1.7017971 -6.0229307 -14.35232896 -7.88269214 -10.31630302 -3.55799516 -11.64086575 -7.19960911 1.90424089 2.959E-9 6.6169999999E-9 1.48E-8 3.309E-8 7.398E-8 1.6539999999E-7 3.699E-7 8.272E-7 0.00000185 0.000004136 0.0000092479999999 0.00002068 0.00004624 0.0001034 0.00023119999999 133005-40-0 60196312 144206379 A A (+)-Metazocine fumarate (2:1) O=C(O)/C=C/C(=O)O.Oc2ccc3C[C@H]1[C@H](C)[C@](C)(CCN1C)c3c2.Oc2ccc3C[C@H]1[C@H](C)[C@](C)(CCN1C)c3c2 Tox21_112826 -NCGC00091663-03 196716773 tox21-ror-cho-viability-p1 set2 4 0.968854161 -4.6370898759 1.5 -3.1370898759 4.9549173134 0.4398926854 0.2363404298 0.23106549 -0.63589142 0.59044113 -0.71813023 0.13542839 0.16439709 6.08140299 5.95886152 0.90554984 -4.2762251 -4.16078577 -0.54876271 -0.67820416 -1.47457639 -6.78090823 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00164139-03 196716787 tox21-ror-cho-viability-p1 set2 4 -2.7671348 -2.13270043 -0.57178884 -3.75295151 -1.03568162 -1.18816746 -0.10235916 -0.64972526 -4.54412056 -7.52981047 -5.47063598 -5.83274458 -4.74738865 -0.09244364 -4.98634251 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3147-75-9 62485 170466580 F Octrizole CC(C)(C)CC(C)(C)c1cc(c(O)cc1)n2nc3ccccc3n2 Tox21_112086_1 -NCGC00262912-01 196717194 tox21-ror-cho-viability-p1 set2 4 0.2371013766 5.7609265039 -3.2609265039 2.5 4.9549173134 0.4664931347 0.2100390826 -0.03882816 1.64022821 -9.38410542 -0.85825011 -5.30179476 -6.56750915 -1.38602455 -5.690498 4.75429022 6.27429274 1.12134987 1.51536939 0.06033627 1.25926816 2.04039794 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 20662-53-7 88638 170466715 A F Benzimidazolone O=C2Nc1ccccc1N2C3CCNCC3 Tox21_113910 -NCGC00023193-06 196717198 tox21-ror-cho-viability-p1 set2 4 -3.85991058 -3.32258661 -0.24086886 -0.92256784 -2.42221737 -2.63555643 -0.26916102 0.33514536 -1.07044946 -0.18815839 -2.82102785 -1.74862967 -5.01557892 2.49568303 1.06882247 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 76-25-5 6436 170464660 A Triamcinolone acetonide OCC(=O)[C@@]54OC(C)(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_110885_1 -NCGC00016360-06 196717199 tox21-ror-cho-viability-p1 set2 4 3.2564291 2.62693828 2.33549781 2.94702058 4.40456726 4.55209189 3.35197373 5.54009182 4.58046917 4.82080179 -0.12689858 2.52387863 2.1849176 0.40396611 0.05853229 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103-16-2 7638 170464724 F Monobenzone Oc2ccc(OCc1ccccc1)cc2 Tox21_110396_1 -NCGC00161420-06 196718051 tox21-ror-cho-viability-p1 set2 -3 33.4914596268 -74.7167048632 -3.39812876 -78.1148336232 4.9549173134 0.9637115265 0.0000014214 -2.11424661 -5.45334536 -6.99217302 -4.21108614 -1.45023469 0.45950372 -1.5531427 -0.40450361 -1.0590872 -10.99758058 -0.85496032 -2.78036239 -7.44376041 -8.24663077 -68.52178388 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 116666-63-8 60662 170466110 A Mibefradil dihydrochloride Cl.Cl.CC(C)[C@H]3c4ccc(F)cc4CC[C@]3(OC(=O)COC)CCN(C)CCCc1nc2ccccc2n1 Tox21_111244_1 -NCGC00091253-05 196717634 tox21-ror-cho-viability-p1 set2 4 21.02990973 7.7506564919 -2.2506564919 5.5 4.5044702849 0.5262647724 0.1750794412 -1.5141942 -1.20057517 0.83713982 -5.1735288 -6.45888041 -4.49085647 -0.8379593 -1.90840773 -1.34638253 -0.66099945 -1.70870048 -3.05129385 0.52928965 4.99395772 0.33969423 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00257985-01 196729639 tox21-ror-cho-viability-p1 set3 4 -0.73012714 1.28047946 3.31916878 0.14217471 -1.61166187 3.83253929 -0.95975366 3.3888455 1.17061062 9.14700157 1.20952416 0.93573407 -0.63278733 1.07069045 -1.78729093 1.208E-9 2.7009999999E-9 6.0389999999E-9 1.3499999999E-8 3.02E-8 6.752E-8 1.51E-7 3.376E-7 7.549E-7 0.0000016879999999 0.0000037739999999 0.0000084399999999 0.00001887 0.0000422 0.00009436 98-88-4 7412 144207629 Z Benzoyl chloride ClC(=O)c1ccccc1 Tox21_200431 -NCGC00257970-01 196729615 tox21-ror-cho-viability-p1 set3 4 0.25776463 -0.45027756 -0.39291088 0.37330598 -0.60046795 0.20684244 -4.40492461 0.99243337 0.78270461 2.01275535 0.02820843 -0.20701105 1.53188868 2.57644389 -6.61406657 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.9719999999E-8 6.6449999999E-8 1.486E-7 3.3219999999E-7 7.429E-7 0.0000016609999999 0.000003714 0.0000083059999999 0.00001857 0.00004153 0.00009286 99-71-8 7453 144207614 A A 4-(Butan-2-yl)phenol Oc1ccc(cc1)C(C)CC Tox21_200416 -NCGC00258213-01 196729627 tox21-ror-cho-viability-p1 set3 -2.1 60.013278633 -78.9298246259 -4.30572333 -83.2355479559 1.4641 0.871155029 0.0011070336 -2.49717527 -2.15474808 -4.55190272 -2.16700337 -1.11126071 -0.86819591 -6.83627027 -1.05425659 -3.76027989 -12.57064554 -20.70744691 0 -17.1731352 -27.53908718 -63.0572333 1.162E-9 2.5969999999E-9 5.808E-9 1.299E-8 2.9039999999E-8 6.494E-8 1.4519999999E-7 3.247E-7 7.2599999999E-7 0.000001623 0.0000036299999999 0.000008117 0.000018149999999 0.00004059 0.00009075 8001-50-1 22833294 144207857 FNS Strobane ClC2(Cl)[C@]1(Cl)C(Cl)[C@@](Cl)(C(=C)C1(C)C)C2(Cl)Cl Tox21_200659 -NCGC00244579-01 196729631 tox21-ror-cho-viability-p1 set3 -2.4 61.130564862 -26.07546666 -2 -28.07546666 3.5117481694 0.8271435849 0.0042753173 0.98840964 -0.84496043 0.68514856 -5.3771033 -8.12804077 -1.10115217 -0.58129142 -1.8095836 -4.91976664 -0.56135577 -1.41556515 -0.10833091 0.20326349 -7.890901 -22.97955555 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00258467-01 196730033 tox21-ror-cho-viability-p1 set3 4 -4.41234062 2.21056484 -3.61502411 -3.28381707 0.7321321 1.76085779 1.25881715 -2.71192432 1.202938 -3.40665322 2.30856765 -9.27367193 7.66523863 -4.09111351 -0.44680816 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 75-96-7 6415 144208111 Tribromoacetic acid BrC(Br)(Br)C(=O)O Tox21_200913 -NCGC00258141-01 196730049 tox21-ror-cho-viability-p1 set3 4 1.39559229 -2.3357007 0.6319304 1.40704838 3.14896481 3.52802576 1.99556116 -0.90516926 2.61908952 2.50408941 0.06519125 1.81449896 1.08757829 1.701786 5.49891913 1.179E-9 2.6359999999E-9 5.8929999999E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.294E-7 7.367E-7 0.0000016469999999 0.0000036829999999 0.000008236 0.00001842 0.000041179999999 0.00009208 448245-52-1 11171745 144207785 A A 1-Butyl-3-methylimidazolium dicyanamide CCCCn1cc[n+](C)c1.N#C\N=C=[N-] Tox21_200587 -NCGC00257597-01 196730450 tox21-ror-cho-viability-p1 set3 4 -17.30915589 -0.26007203 -0.92904042 0.9018875 -0.96146473 -12.17583246 -0.74754413 -7.01244975 0 -3.85981268 -3.75611988 0 -5.47432338 -3.94885714 0.55211459 1.2869999999E-9 2.8769999999E-9 6.433E-9 1.439E-8 3.2169999999E-8 7.193E-8 1.6079999999E-7 3.5959999999E-7 8.042E-7 0.000001798 0.000004021 0.0000089909999999 0.0000201 0.00004495 0.00010049999999 1918-02-1 15965 144207241 A A Picloram Nc1c(Cl)c(nc(Cl)c1Cl)C(=O)O Tox21_200043 -NCGC00257557-01 196730452 tox21-ror-cho-viability-p1 set3 4 -0.62263287 -1.17470852 1.96624649 -1.81648533 2.00163179 1.72328135 -4.54553532 0.30513722 0.9558158 -4.83415337 -3.11007247 0 13.45656847 -4.14044982 -2.99169257 1.121E-9 2.507E-9 5.6069999999E-9 1.254E-8 2.8029999999E-8 6.2689999999E-8 1.402E-7 3.134E-7 7.0089999999E-7 0.0000015669999999 0.000003504 0.000007836 0.000017519999999 0.00003918 0.00008761 156-59-2 643833 144207201 FC (Z)-1,2-Dichloroethylene Cl\C=C/Cl Tox21_200003 -NCGC00258051-01 196730455 tox21-ror-cho-viability-p1 set3 4 4.17658425 1.81845065 -0.12229442 -1.90137014 -0.62701999 3.92002933 1.98088717 1.2146517 4.18862418 2.51325641 3.2707308 1.51782588 -1.40126834 0.74492864 -1.93678254 1.173E-9 2.624E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.000003667 0.0000081989999999 0.00001833 0.00004099 0.000091659999999 68-89-3 522325 144207695 A F Dipyrone [Na+].[O-]S(=O)(=O)CN(C)C=2C(=O)N(c1ccccc1)N(C)C=2C Tox21_200497 -NCGC00257007-01 196726785 tox21-ror-cho-viability-p1 set3 4 3.60669839 -0.22177331 -4.4831834 -1.61145874 1.29114395 -21.2818394 -2.65658113 -2.25348238 -0.14197836 0 -0.38065769 -1.67727498 0.66606332 -0.03470978 6.23630268 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-46-0 24764 144213436 Fns Hexamethyldisiloxane C[Si](C)(C)O[Si](C)(C)C Tox21_303119 -NCGC00244580-01 196709097 tox21-ror-cho-viability-p1 set2 4 54.4826732819 -17.3802011119 1.5 -15.8802011119 3.9899729863 0.868544577 0.0012376633 -0.01673557 1.40065713 2.76443499 3.9344042 3.44375621 2.63000426 2.55566122 1.25379205 -0.80595756 -0.40185151 -1.57337646 0.86157456 1.5923988 -2.93791628 -14.06683426 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00257433-01 196708284 tox21-ror-cho-viability-p1 set1 -1.2 24.3365162115 -57.8115642365 1.8203356665 -55.99122857 3.2974983358 0.9839578542 1.32E-8 7.71953317 -1.06311451 -0.31814739 0.07901556 2.0508506 -0.85772943 3.83792729 2.03094383 4.39498483 1.46467614 -1.16534841 -0.66409483 -14.99996912 -46.35796344 -55.8737535 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135-57-9 67271 144213776 A A 2,2'-Dibenzoylaminodiphenyl disulfide O=C(Nc3ccccc3SSc2ccccc2NC(=O)c1ccccc1)c4ccccc4 Tox21_303466 -NCGC00259335-01 196708683 tox21-ror-cho-viability-p1 set2 4 0.9127681 -0.34876862 -2.74234816 -1.84397921 -1.99369424 -0.09282774 3.67362404 2.37275548 2.92506902 0.90782532 3.52643463 0.16826347 1.89957377 3.61560569 4.38205965 1.1429999999E-9 2.555E-9 5.714E-9 1.278E-8 2.857E-8 6.388E-8 1.428E-7 3.194E-7 7.1419999999E-7 0.000001597 0.000003571 0.000007985 0.00001786 0.00003993 0.00008928 110-69-0 8069 144208984 I I Butanal oxime CCC\C=N/O Tox21_201786 -NCGC00258838-01 196708705 tox21-ror-cho-viability-p1 set2 4 0.95387843 -2.9249702 -1.61689228 -6.78271115 -1.02085134 -3.28601705 -0.75557569 1.69609789 1.72882354 -2.09747418 -4.61461503 -1.28882444 -2.30599457 -2.7909108 -2.53427553 1.1529999999E-9 2.5769999999E-9 5.7629999999E-9 1.289E-8 2.8819999999E-8 6.444E-8 1.441E-7 3.2219999999E-7 7.204E-7 0.000001611 0.0000036019999999 0.000008054 0.00001801 0.00004027 0.00009005 6728-26-3 5281168 144208484 AC Fc (2E)-2-Hexenal CCC\C=C\C=O Tox21_201286 -NCGC00259824-01 196709101 tox21-ror-cho-viability-p1 set2 -2.4 78.2127246844 -28.4887953599 1 -27.4887953599 4.9549173134 0.9117158682 0.0001729575 2.26650302 2.50268487 0.18647391 -1.76781377 -0.00092834 1.18631595 1.06657152 0.60222509 -0.63035351 0.57190518 -0.51222801 3.14699868 3.38776831 3.04690021 -21.2406628 1.196E-9 2.674E-9 5.9789999999E-9 1.337E-8 2.989E-8 6.685E-8 1.4949999999E-7 3.3419999999E-7 7.4739999999E-7 0.000001671 0.000003737 0.000008356 0.000018679999999 0.000041779999999 0.00009342 262-20-4 9217 144209473 A A Phenoxathiin c1ccc2Sc3ccccc3Oc2c1 Tox21_202275 -NCGC00090987-03 196709102 tox21-ror-cho-viability-p1 set2 4 6.86229974 0.53483091 7.06778106 0.42503482 0 3.38562274 4.49781319 -0.7958915 0.77187975 3.82714921 4.08874314 6.93727401 0.68414899 6.66305699 5.30801752 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00259912-01 196709105 tox21-ror-cho-viability-p1 set2 4 6.73375873 3.02964489 8.65341512 5.23053808 2.87939102 -0.83145609 3.92047228 1.74928584 4.77441648 3.28610113 4.33956219 4.16887051 5.98698913 2.36332662 1.87802946 1.208E-9 2.702E-9 6.041E-9 1.3509999999E-8 3.021E-8 6.754E-8 1.51E-7 3.3769999999E-7 7.552E-7 0.000001689 0.0000037759999999 0.0000084429999999 0.00001888 0.00004222 0.0000944 79-43-6 6597 144209561 A A Dichloroacetic acid ClC(Cl)C(=O)O Tox21_202363 -NCGC00259973-01 196709106 tox21-ror-cho-viability-p1 set2 4 -0.77932421 -0.88282512 -1.14129408 -1.65187955 -2.43274446 -3.49614728 -0.78179464 -1.88484556 0.80082825 -0.72289046 0.94242544 -1.00117917 0.97347633 0.53794551 0.36609702 1.1919999999E-9 2.6649999999E-9 5.96E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.332E-7 7.45E-7 0.0000016659999999 0.000003725 0.000008329 0.00001862 0.00004164 0.00009312 311-45-5 9395 144209622 A A Paraoxon [O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1 Tox21_202424 -NCGC00091775-03 196709108 tox21-ror-cho-viability-p1 set2 -2.4 6.8589621897 -23.963412976 0 -23.963412976 3.9899729863 0.867357085 0.001272131 2.39789407 1.61433723 -12.91721783 0.09733667 4.2557906 1.76004981 0.8656207 2.54819319 1.98402554 -1.12380372 -1.23615366 -16.89168092 -21.54391756 -26.63617748 -22.7164304 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00259483-01 196709518 tox21-ror-cho-viability-p1 set2 4 0.7843865 -3.38299373 -1.21017216 0.7554195 -0.87763172 -1.6730729 -0.6446285 1.69020112 -1.52927638 6.74287734 1.57010751 -0.17472873 0.00557523 -1.67579161 -1.49106477 1.157E-9 2.587E-9 5.784E-9 1.293E-8 2.892E-8 6.467E-8 1.446E-7 3.2329999999E-7 7.2299999999E-7 0.000001617 0.000003615 0.000008083 0.000018069999999 0.00004042 0.00009037 78-48-8 5125 144209132 A A Tribufos CCCCSP(=O)(SCCCC)SCCCC Tox21_201934 -NCGC00255586-01 196709939 tox21-ror-cho-viability-p1 set2 4 3.12690371 1.57811877 1.8770471 1.65659448 -1.08315504 -0.57242796 -0.08293004 2.55913394 3.2867967 0.85900752 2.57887247 -1.81161728 0.50192863 -2.00763477 2.05108645 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-89-0 7165 144212338 A Ac Ethyl benzoate O=C(OCC)c1ccccc1 Tox21_302021 -NCGC00259104-01 196706210 tox21-ror-cho-viability-p1 set1 4 2.1579701846 17.0642517599 -11.0642517599 6 0.3 0.3827900845 0.2885606088 -8.81375996 -2.49179384 -13.50731848 -19.2202098 -1.26247166 -5.15321719 -0.1527753 -5.78329769 -9.64351628 0 0.01449891 -2.16424907 -1.87737609 0.00546341 3.61336681 1.175E-9 2.628E-9 5.877E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.346E-7 0.000001643 0.000003673 0.0000082129999999 0.000018359999999 0.00004107 0.000091819999999 124-02-7 31279 144208753 FNS Diallylamine C=CCNCC=C Tox21_201555 -NCGC00090910-03 196705403 tox21-ror-cho-viability-p1 set1 4 -1.52799157 -2.38837749 -0.12492739 -0.69947652 -5.65670829 -1.09272961 0.02436754 -5.17817202 -0.69174006 -0.91325113 -0.27258181 -2.88904243 1.09373843 -0.547792 -2.23089145 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00259228-01 196706145 tox21-ror-cho-viability-p1 set1 4 1.5281883 -10.99321214 4.78908349 -0.9727782 2.59893342 0.77853188 -0.44383471 0.92446165 -1.19293805 3.3851915 -1.01494969 1.80727465 2.51084232 3.35188942 2.74622808 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23564-05-8 3032791 144208877 A A Thiophanate-methyl S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC Tox21_201679 -NCGC00159515-03 196705312 tox21-ror-cho-viability-p1 set1 4 -2.01232935 -0.98988158 -0.88822457 0.00481829 -3.33814256 1.70465564 0.43427419 -3.60719954 -3.95517997 1.84897802 -2.25161087 0.0898368 -4.07586819 -3.15356652 -3.99813363 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 138729-47-2 969472 170465445 A Eszopiclone CN1CCN(CC1)C(=O)O[C@H]4c2nccnc2C(=O)N4c3ccc(Cl)cn3 Tox21_111733_1 -NCGC00258994-01 196705732 tox21-ror-cho-viability-p1 set1 4 3.15407497 -0.54539228 -0.50510401 6.21754054 5.38269857 3.69399193 2.83171925 4.07223337 -0.08516392 0 2.04775476 1.295438 1.31596018 2.48260749 1.89072419 1.1509999999E-9 2.575E-9 5.757E-9 1.2869999999E-8 2.879E-8 6.437E-8 1.4389999999E-7 3.218E-7 7.196E-7 0.000001609 0.0000035979999999 0.0000080459999999 0.00001799 0.000040229999999 0.00008995 108-21-4 7915 144208641 FNS Isopropyl acetate CC(=O)OC(C)C Tox21_201443 -NCGC00259522-01 196705733 tox21-ror-cho-viability-p1 set1 4 0.001560549 -15 17 2 0.7999999999 0.5523100204 0.1350545685 9.20881928 12.9450045 1.0834424 5.36693262 2.30034755 1.86794717 0.7930595 2.59125008 1.2127265 6.13640754 1.18761963 4.22347362 1.63594852 1.04113552 0.19931676 1.196E-9 2.6749999999E-9 5.981E-9 1.337E-8 2.9909999999E-8 6.6869999999E-8 1.4949999999E-7 3.344E-7 7.476E-7 0.0000016719999999 0.0000037379999999 0.0000083589999999 0.00001869 0.00004179 0.000093459999999 102-60-3 7615 144209171 A A N,N,N',N'-Tetrakis(2-Hydroxypropyl)ethylenediamine CC(O)CN(CC(C)O)CCN(CC(C)O)CC(C)O Tox21_201973 -NCGC00091210-02 196706564 tox21-ror-cho-viability-p1 set1 4 21.6899429044 -9.486334504 -0.5 -9.986334504 4.5044702849 0.3554027042 0.3320258334 4.06257143 2.71345272 -0.13788411 -0.07912136 -4.83150709 1.92718372 0.39844997 -8.77199972 -0.15663199 3.63289929 -3.91355122 0.66879194 -3.91939312 -9.57194542 -1.06312215 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00258788-01 196706567 tox21-ror-cho-viability-p1 set1 -2.2 13.6158713715 -48.8917099199 1.4172281079 -47.474481812 1.0999999999 0.9264623834 0.000066583 5.12464043 -0.18430747 6.46597095 -2.35480735 0.19992524 -3.0681697 -2.99899759 0.27300768 0.10664269 7.28644482 -13.31652664 -20.01579233 -25.68450867 -33.99498098 -43.5412741 1.175E-9 2.626E-9 5.873E-9 1.3129999999E-8 2.936E-8 6.566E-8 1.468E-7 3.2829999999E-7 7.341E-7 0.000001641 0.0000036699999999 0.000008207 0.00001835 0.00004104 0.00009176 533-74-4 10788 144208434 A A Dazomet S=C1SCN(C)CN1C Tox21_201236 -NCGC00255123-01 196706968 tox21-ror-cho-viability-p1 set1 -2.2 48.5577336745 -46.541080341 2.394917739 -44.146162602 2.1210667061 0.9636964187 0.0000014279 7.57164682 2.64648273 3.07025764 1.80845122 0.29121139 2.27711386 0.63646394 -0.3655279 2.29658543 4.8897027 1.70925227 3.52626868 -4.46151644 -16.41813711 -34.5299984 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84-16-2 192197 144211773 A A meso-Hexestrol Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c2ccc(O)cc2 Tox21_301456 -NCGC00256430-01 196706969 tox21-ror-cho-viability-p1 set1 4 -5.50049086 -10.70768198 -5.74231324 0.0111577 -1.63213402 -9.24375093 -7.96874187 -3.16144209 -13.22472217 -13.56503917 -1.54207993 -14.93096732 -7.12917461 -20.33983046 -1.66144884 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 614-00-6 11957 144213064 A Fc Nitrosomethylaniline O=NN(C)c1ccccc1 Tox21_302747 -NCGC00256718-01 196706973 tox21-ror-cho-viability-p1 set1 4 -8.66619831 -6.34963005 -9.28020473 -9.77507307 -4.0291955 -11.80473347 -7.96525025 -7.9600282 -11.35961298 -9.86138659 -9.36802671 -19.93192699 -4.93320018 -5.927987 0.24770206 1.35E-9 3.0179999999E-9 6.749E-9 1.5089999999E-8 3.375E-8 7.546E-8 1.6869999999E-7 3.773E-7 8.436E-7 0.0000018859999999 0.000004218 0.000009432 0.00002109 0.000047159999999 0.00010549999999 9004-73-3 6327366 144212798 Fns Methylpolysilicone C[Si](C)(C)O[SiH](C)O[Si](C)(C)C Tox21_302481 -NCGC00258996-01 196706176 tox21-ror-cho-viability-p1 set1 4 4.86223092 4.20273067 -0.4257585 7.82296756 3.19798317 -0.34051464 0.15296124 3.22986004 9.53487049 13.47169578 -3.77248125 0.69242185 1.75704812 5.51268124 0.86894819 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 0.000091709999999 98-56-6 7394 144208643 AC Fns 1-Chloro-4-(trifluoromethyl)benzene FC(F)(F)c1ccc(Cl)cc1 Tox21_201445 -NCGC00259503-01 196705764 tox21-ror-cho-viability-p1 set1 4 -4.5155403 -8.51264317 -4.83897884 -5.33615296 -5.19300949 -2.80519492 -7.52408526 -9.34174068 6.18786731 -14.80693547 -5.45422845 -3.55375062 -3.41947761 3.06681932 -5.81202817 1.188E-9 2.657E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.641E-8 1.4849999999E-7 3.321E-7 7.425E-7 0.0000016599999999 0.000003713 0.000008302 0.00001856 0.000041509999999 0.00009282 693-23-2 12736 144209152 A A Dodecanedioic acid O=C(O)CCCCCCCCCCC(=O)O Tox21_201954 -NCGC00258900-01 196706163 tox21-ror-cho-viability-p1 set1 4 0.5659482821 5.4739254199 -4.4739254199 1 4.9549173134 0.5103915899 0.1873180597 -5.76071444 -7.66490174 -3.14277481 -7.89493785 -2.82517727 -0.49415008 -2.64635066 -6.19186938 0.61900335 -0.1173445 6.12958795 0.76381322 0.4907843 -2.90584272 -2.53122896 1.218E-9 2.723E-9 6.0889999999E-9 1.3619999999E-8 3.045E-8 6.808E-8 1.522E-7 3.4039999999E-7 7.611E-7 0.000001702 0.000003806 0.00000851 0.00001903 0.00004255 0.00009514 79-19-6 2723789 144208546 Z Z Thiosemicarbazide NC(=S)NN Tox21_201348 -NCGC00259362-01 196706172 tox21-ror-cho-viability-p1 set1 4 7.22618631 1.15349151 1.60510181 -0.37784311 -0.45863544 1.27601362 -0.9473002 -0.39243035 8.17191322 -0.02550009 0.81663589 3.17682347 4.03893121 3.45857296 0.50588817 1.204E-9 2.693E-9 6.021E-9 1.346E-8 3.011E-8 6.732E-8 1.5049999999E-7 3.366E-7 7.527E-7 0.000001683 0.000003763 0.0000084149999999 0.00001882 0.00004208 0.00009408 121-69-7 949 144209011 AC Bc N,N-Dimethylaniline CN(C)c1ccccc1 Tox21_201813 -NCGC00018271-07 196718020 tox21-ror-cho-viability-p1 set2 4 -1.64460856 -1.25729281 0.16853673 -10.57579576 -2.79105456 -5.34919963 0.06410777 1.79570832 -1.11458226 -7.14781151 -2.62689925 -7.1728664 -4.12649482 -2.8411569 -0.16285638 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 848-53-3 3627 170465786 A Homochlorcyclizine Clc1ccc(cc1)C(c2ccccc2)N3CCCN(C)CC3 Tox21_110855_1 -NCGC00016345-08 196717616 tox21-ror-cho-viability-p1 set2 4 0.16785492 4.0477535239 -3.5477535239 0.5 1.331 0.4382366765 0.2388832575 -9.20646127 0.12219642 -0.40039855 -5.09920027 -2.37357447 -5.0828546 -2.83386971 -1.38049779 -0.15538225 0.96911756 -1.43649808 1.28210943 0.88636346 1.35268095 -0.35040652 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 90-33-5 5280567 170465819 A 4-Methylumbelliferone Oc1ccc2c(c1)OC(=O)C=C2C Tox21_110385_1 -NCGC00247690-01 196718017 tox21-ror-cho-viability-p1 set2 4 25.3559053825 -16.030093328 4.5 -11.530093328 1.01 0.5426868844 0.1584084741 1.76952158 0.94753321 4.47150064 5.03982787 9.89594796 0.52493424 7.51456668 7.56103069 1.19026192 3.06182046 0.38516436 0.02552965 0.75628347 -7.94174444 -1.08519422 1.344E-9 3.0059999999E-9 6.721E-9 1.503E-8 3.361E-8 7.515E-8 1.68E-7 3.7569999999E-7 8.4019999999E-7 0.000001879 0.0000042009999999 0.000009394 0.000021 0.00004697 0.00010499999999 50505-91-4 60196319 144206393 A A (+)-2,5-Dimethoxy-4-ethylamphetamine hydrochloride Cl.COc1cc(CC)c(cc1C[C@H](C)N)OC Tox21_112840 -NCGC00090787-08 196718019 tox21-ror-cho-viability-p1 set2 4 2.18924395 2.35997419 1.08004373 -0.16630669 1.18057022 4.11370868 4.62327081 5.4834852 0.42088315 0.57090795 4.53541802 -0.24527979 1.24432178 -0.60584206 0.87003083 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 119-61-9 3102 170465649 A Benzophenone O=C(c1ccccc1)c2ccccc2 Tox21_113465_1 -NCGC00015558-14 196718032 tox21-ror-cho-viability-p1 set2 4 -1.95004167 -2.32002235 0.31539676 2.67521351 -1.33715823 8.20282339 2.98404757 9.52985529 -2.25599775 -1.59339664 -1.78081018 0.47223319 -2.80736623 -0.7456013 0.84572323 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7683-59-2 3779 170464679 Z Isoprenaline hydrochloride Oc1ccc(cc1O)C(O)CNC(C)C Tox21_110172_1 -NCGC00091011-05 196718040 tox21-ror-cho-viability-p1 set2 2.1 48.5577336745 108.4757495426 -2.0491176779 106.4266318647 1.6266150999 0.9852280042 8.2E-9 -7.20127074 -2.39219067 -5.27171323 -3.06335809 -0.21069579 -4.6704127 -1.70797795 0.11417247 -0.66795868 -0.66719971 -0.32673758 9.10554774 17.30820236 40.46359544 80.95058506 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00256716-01 196719329 tox21-ror-cho-viability-p1 set2 4 -1.56888326 0.6877202 -0.7764848 4.8053814 -1.01930512 -8.0839184 1.25716993 -0.56761867 0.43654397 -5.23665482 -2.47818521 -2.48798534 -0.73604878 1.20350233 5.3150513 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4621-04-9 20739 144212771 A A 4-Isopropylcyclohexanol CC(C)C1CCC(O)CC1 Tox21_302454 -NCGC00255481-01 196718888 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -52.5151731492 -1.948867924 -54.4640410732 4.5044702849 0.9469290135 0.0000116595 -0.2142888 -0.44911681 -2.21615852 0.86642442 -3.93702665 -9.2678424 -2.66942861 -4.68515497 -1.90080815 0.50774165 -0.58100363 -2.25328598 -0.3112605 -6.90355994 -43.62225482 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-85-2 5995 144212587 A A Testosterone propionate CCC(=O)O[C@H]2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_302270 -NCGC00090750-04 196719324 tox21-ror-cho-viability-p1 set2 4 55.1482208978 -25.358552492 2.5 -22.858552492 1.752947691 0.7707193724 0.013957139 0.73854004 0.1132267 -1.22270668 0.68805659 0.88754393 7.24638086 1.9251026 8.8141021 4.68582019 1.49621763 3.31404144 -1.20524984 1.01817264 -7.51777486 -15.71546041 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00257471-01 196719327 tox21-ror-cho-viability-p1 set2 4 0.61251466 -0.63379922 -0.47131994 0.81605903 0.05636725 4.32120058 1.14498657 5.03055979 2.28765231 3.05266739 8.94768523 1.51025585 0.28512953 1.40053472 -0.11772195 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81-90-3 66494 144213949 A A Phenolphthalin Oc1ccc(cc1)C(c2ccccc2C(=O)O)c3ccc(O)cc3 Tox21_303646 -NCGC00256545-01 196719331 tox21-ror-cho-viability-p1 set2 4 1.4981213 -2.82200376 -0.9007481 0.64730445 -2.32663238 -0.01027123 1.28208925 7.88989935 0.01384433 1.66301012 -0.26240533 -0.69255747 -3.01273768 0.56592405 0.67060096 1.041E-9 2.327E-9 5.203E-9 1.1629999999E-8 2.6009999999E-8 5.817E-8 1.3009999999E-7 2.908E-7 6.5029999999E-7 0.000001454 0.0000032519999999 0.0000072709999999 0.00001626 0.00003636 0.00008129 11013-97-1 5284419 144213056 D Methyl hesperidin COc1ccc(cc1OC)[C@@H]2CC(=O)c3c(O)cc(cc3O2)O[C@@H]5O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]5O Tox21_302739 -NCGC00255903-01 196728048 tox21-ror-cho-viability-p1 set3 4 3.21042109 -0.67205516 11.96823277 -0.40559025 -0.58092865 4.41681761 1.83349926 0.75805529 5.93111584 4.78183256 -1.28148262 1.61649125 -2.58966369 6.39326435 5.6222581 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56539-66-3 62118 144212432 A 3-Methoxy-3-methylbutan-1-ol CC(C)(CCO)OC Tox21_302115 -NCGC00257477-01 196727614 tox21-ror-cho-viability-p1 set3 4 48.5577336745 -17.1499966839 -1 -18.1499966839 3.1319983358 0.4288872926 0.244408935 7.12271513 0.50669421 -3.57751995 -0.08882835 -3.5951001 0.25998318 -6.31452344 -3.81429354 0.77603529 -6.53648072 -8.35314221 8.47785736 0.09690045 -7.56913079 -15.95833057 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 132-32-1 8588 144213853 A A 3-Amino-9-ethylcarbazole Nc2cc3c1ccccc1n(CC)c3cc2 Tox21_303548 -NCGC00257316-01 196727623 tox21-ror-cho-viability-p1 set3 4 0.42071719 -0.94227867 -2.09941061 -6.23868139 0.83087852 -1.8923799 -6.54012942 -10.09728117 0 0 0 0.44347887 -0.51838697 -13.75691624 5.68962076 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 542-76-7 10963 144213770 A 3-Chloropropionitrile ClCCC#N Tox21_303460 -NCGC00255590-01 196728030 tox21-ror-cho-viability-p1 set3 4 21.6899429044 6.66766434 -3.16766434 3.5 4.9549173134 0.4257394571 0.2496226862 -6.80213361 -3.31348806 -0.19620991 -0.77804037 -3.85031727 -1.3973397 0.77593432 -0.4270059 -8.05638695 -6.38261106 -5.16844214 -3.01783728 -1.02246745 4.49014412 1.86691982 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16893-85-9 28127 144212628 Sodium hexafluorosilicate [Na+].[Na+].F[Si-2](F)(F)(F)(F)F Tox21_302311 -NCGC00255797-01 196728459 tox21-ror-cho-viability-p1 set3 4 0.0343762429 4.395944244 -2.395944244 2 4.9549173134 0.5072231353 0.1752655117 -2.89105108 -0.78098247 -0.59105882 -4.91328687 -0.97826543 1.28790507 5.52394819 2.06444304 1.88488092 -0.92068367 3.21347652 -0.55674251 0.39554342 1.90163876 5.23218332 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14611-52-0 26758 144212163 A A Selegiline hydrochloride Cl.C#CCN(C)[C@H](C)Cc1ccccc1 Tox21_301846 -NCGC00256012-01 196728465 tox21-ror-cho-viability-p1 set3 4 -1.45520768 -2.38684135 1.4318204 0.6830247 4.38557892 1.51401372 4.80326082 1.19764589 2.73482855 -5.65254854 -8.96269233 0.36769585 -1.44748589 1.32579532 1.11932711 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 36673-16-2 3744660 144212110 F Isopropyl triethanolamine titanate CC(C)O[Ti](OCCN(CCO)CCO)(OC(C)C)OCCN(CCO)CCO Tox21_301793 -NCGC00090827-04 196728466 tox21-ror-cho-viability-p1 set3 4 -0.85137917 -0.31641835 -0.41419419 -2.58548846 -2.78729427 -1.83099773 3.16151361 0.14051242 4.22022356 0.15478063 1.23782865 -1.01162123 -1.53835189 -0.34763086 6.66324005 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00256687-01 196708301 tox21-ror-cho-viability-p1 set1 4 0.0101038164 -14.024066084 -4 -18.024066084 1.331 0.5106161078 0.1856990594 -11.82826534 0.40747736 -9.22111649 -14.15491656 -14.88416026 -18.45372668 -14.72651627 -20.93164436 -23.77005507 -16.81691723 -23.06957539 -17.4480952 -9.22792374 -17.19320503 -10.9945254 1.222E-9 2.733E-9 6.111E-9 1.367E-8 3.056E-8 6.833E-8 1.528E-7 3.416E-7 7.639E-7 0.0000017079999999 0.00000382 0.000008541 0.0000191 0.0000427 0.00009549 4437-51-8 62539 144212883 F 3,4-Hexanedione CCC(=O)C(=O)CC Tox21_302566 -NCGC00257082-01 196708303 tox21-ror-cho-viability-p1 set1 -2.2 43.2771256911 -50.2184269479 1.5205372709 -48.697889677 3.0654483358 0.9217396789 0.0000921998 -1.27820868 -0.82793619 -0.73792427 0.03959975 -1.80631195 1.60723576 4.27309724 1.01738401 11.2792715 0.03727698 1.87233968 -2.23144712 4.47060723 -23.5540992 -43.51535579 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-34-4 7648 144213427 A F 4,4'-Dithiodimorpholine S(SN1CCOCC1)N2CCOCC2 Tox21_303110 -NCGC00256938-01 196708293 tox21-ror-cho-viability-p1 set1 4 -4.26807558 -0.94142185 3.08631875 0.84531207 3.85450788 -10.8562982 -2.3415618 -1.5389354 1.81646619 -2.99742014 -0.57091533 -1.28002377 -4.66634967 1.12381346 5.81043805 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 1747-60-0 15630 144213500 A A 2-Amino-6-methoxybenzothiazole COc1ccc2nc(N)sc2c1 Tox21_303183 -NCGC00256347-01 196708298 tox21-ror-cho-viability-p1 set1 -2.1 30.6378586933 -76.4856022639 -0.491564728 -76.9771669919 2.5334283767 0.9809345661 3.6E-8 -1.04767082 -0.12764566 -0.93825269 0.86939467 1.35167427 0.93318914 -4.53044724 1.17806274 4.73109833 -4.97250262 0.81808209 -5.66082792 -18.95315583 -50.53364577 -80.18454895 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 119-47-1 8398 144213240 A A 2,2'-Methylenebis(4-methyl-6-tert-butylphenol) CC(C)(C)c2cc(C)cc(Cc1cc(C)cc(c1O)C(C)(C)C)c2O Tox21_302923 -NCGC00259613-01 196708716 tox21-ror-cho-viability-p1 set2 4 -1.17515026 -3.35071901 -2.7629681 -3.61662982 -2.61123391 0.15646194 -0.00817893 -0.24840882 0.89728202 -0.12819006 0.24216912 0.97144829 5.40702611 3.51120047 4.06550862 1.1139999999E-9 2.49E-9 5.569E-9 1.2449999999E-8 2.784E-8 6.226E-8 1.3919999999E-7 3.113E-7 6.961E-7 0.0000015569999999 0.000003481 0.000007783 0.0000174 0.000038909999999 0.00008701 37764-25-3 37829 144209262 A A Dichlormid ClC(Cl)C(=O)N(CC=C)CC=C Tox21_202064 -NCGC00259465-01 196708722 tox21-ror-cho-viability-p1 set2 4 -5.33968235 -1.76777138 2.0664253 -0.88757366 -5.50911175 -1.10082241 -6.03151001 -0.87315893 -5.06788025 -6.07148814 -5.52923444 -2.578822 -4.16976102 -4.12409802 -0.7422573 1.206E-9 2.697E-9 6.0309999999E-9 1.349E-8 3.016E-8 6.743E-8 1.5079999999E-7 3.372E-7 7.539E-7 0.0000016859999999 0.00000377 0.000008429 0.00001885 0.000042149999999 0.000094239999999 77191-36-7 71157 144209114 A A Nefiracetam O=C2CCCN2CC(=O)Nc1c(C)cccc1C Tox21_201916 -NCGC00259024-01 196708726 tox21-ror-cho-viability-p1 set2 4 55.3148178231 -11.12587192 0 -11.12587192 3.9294729863 0.6604447841 0.0592179532 -5.10958827 4.30786269 -0.21760679 0.38714356 0.38007237 0.38562672 0.94661074 -0.30666222 -0.8539552 0.08129577 0.12666257 -0.39916287 -0.04529498 -2.76590357 -9.6882266 1.195E-9 2.6729999999E-9 5.9769999999E-9 1.337E-8 2.989E-8 6.683E-8 1.494E-7 3.341E-7 7.4709999999E-7 0.000001671 0.000003736 0.000008353 0.000018679999999 0.00004177 0.00009339 13826-35-2 26295 144208671 A A 3-Phenoxybenzenemethanol OCc2cc(Oc1ccccc1)ccc2 Tox21_201473 -NCGC00163774-04 196708728 tox21-ror-cho-viability-p1 set2 4 -2.0924213 -2.10050434 -2.4137457 -0.92379871 0.08964357 -1.29689832 -0.00565419 -1.0159057 -0.76883075 -0.50787185 -0.67027221 -0.74486205 0.27267043 -1.66492593 -1.95008429 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00259927-01 196709543 tox21-ror-cho-viability-p1 set2 4 -1.14061744 -1.80223794 -1.79772503 0.50891722 -0.39835908 -2.34121275 -1.64680162 -1.34245358 -0.46566143 -1.37108865 -2.26205204 0.45960841 0.77545946 -1.28794825 -0.22617937 1.1839999999E-9 2.648E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.619E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 122-34-9 5216 144209576 A A Simazine Clc1nc(NCC)nc(NCC)n1 Tox21_202378 -NCGC00259942-01 196709544 tox21-ror-cho-viability-p1 set2 4 -0.17406824 0.67947703 -0.14906181 0.85822623 2.62483989 1.81715193 -0.55446645 0.73886069 2.81566205 0.05045383 0.61056124 0.76833459 -3.40774848 2.15505922 2.09372769 1.1919999999E-9 2.6659999999E-9 5.9609999999E-9 1.333E-8 2.981E-8 6.6649999999E-8 1.49E-7 3.332E-7 7.451E-7 0.0000016659999999 0.000003726 0.0000083309999999 0.00001863 0.000041649999999 0.000093139999999 88-72-2 6944 144209591 A A 2-Nitrotoluene Cc1ccccc1[N+](=O)[O-] Tox21_202393 -NCGC00259831-01 196709552 tox21-ror-cho-viability-p1 set2 4 1.74771128 4.2695906 -0.50068866 -2.01042953 4.1942553 -1.22201625 0.62479405 0.35190644 0.52796632 4.08185672 0.20600493 2.76934732 2.37510082 -0.12526547 2.27592177 1.2009999999E-9 2.6849999999E-9 6.0029999999E-9 1.3419999999E-8 3.002E-8 6.712E-8 1.501E-7 3.356E-7 7.5039999999E-7 0.0000016779999999 0.0000037519999999 0.00000839 0.00001876 0.00004195 0.000093799999999 4180-23-8 637563 144209480 A B (E)-Anethole COc1ccc(/C=C/C)cc1 Tox21_202282 -NCGC00259309-01 196709555 tox21-ror-cho-viability-p1 set2 4 -1.46913529 -1.95536512 -1.12990058 -1.14551183 -1.40760091 -0.93859268 0.33681218 -1.60535352 -1.14881277 0.9106774 0.83677126 -1.95683041 -0.95850424 1.49204312 1.40691686 1.189E-9 2.66E-9 5.9469999999E-9 1.3299999999E-8 2.973E-8 6.649E-8 1.487E-7 3.3239999999E-7 7.4339999999E-7 0.000001662 0.0000037169999999 0.0000083109999999 0.000018579999999 0.00004156 0.00009292 7785-26-4 440968 144208958 FNS (-)-alpha-Pinene CC2(C)[C@H]1CC=C(C)[C@@H]2C1 Tox21_201760 -NCGC00259322-01 196709560 tox21-ror-cho-viability-p1 set2 4 3.67874786 1.08672211 -0.81196707 2.53327132 4.33031771 0.04935684 1.84781396 -1.04629963 -0.37172163 -0.65946024 -1.03493546 0.2978431 1.20446592 1.43108112 0.07035933 1.2009999999E-9 2.6849999999E-9 6.0039999999E-9 1.3419999999E-8 3.002E-8 6.712E-8 1.501E-7 3.356E-7 7.505E-7 0.0000016779999999 0.0000037519999999 0.00000839 0.00001876 0.00004195 0.00009381 116-16-5 8303 144208971 Hexachloroacetone ClC(Cl)(Cl)C(=O)C(Cl)(Cl)Cl Tox21_201773 -NCGC00090962-05 196707003 tox21-ror-cho-viability-p1 set1 4 34.3762428541 -22.737087552 -2 -24.737087552 0.7999999999 0.5782499355 0.1132016461 0.18603475 -1.47746494 -5.02168676 0.01491657 -2.82898949 -8.49481968 -1.05172488 -6.19607836 -8.72191838 -10.04370483 0.33474506 -1.28967313 -13.16716817 -15.59860088 -18.94757296 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00257134-01 196707009 tox21-ror-cho-viability-p1 set1 4 1.48508065 2.81152573 3.44067086 6.67808207 -2.39755573 -2.47404433 7.73669942 0.88772144 4.22018016 2.93193043 2.71912526 0.44741572 2.05217285 1.8315858 13.15638001 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-70-1 6819 144213593 A A Butylphthalyl butylglycolate O=C(OCCCC)COC(=O)c1ccccc1C(=O)OCCCC Tox21_303276 -NCGC00256543-01 196707002 tox21-ror-cho-viability-p1 set1 -2.2 15.3553036427 -48.3922606399 0.8771702279 -47.515090412 1.372261 0.9460482245 0.0000127299 -2.35241306 3.25061247 1.02847184 -0.88955756 0.56308112 -0.09976921 2.25317343 3.29905571 1.36914986 -3.70223309 -1.21936433 -11.67047886 -33.23617494 -29.3231252 -47.92924201 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-23-4 3037 144213330 A A Dichlorophen Oc2ccc(Cl)cc2Cc1cc(Cl)ccc1O Tox21_303013 -NCGC00091086-02 196707008 tox21-ror-cho-viability-p1 set1 4 4.02060337 3.45280605 2.13768078 1.15872127 2.45611473 1.09917981 3.13823813 -1.63557723 -0.99178275 3.74890753 1.05178172 2.44111245 -1.57229424 0.13536208 0.55796264 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00256380-01 196707012 tox21-ror-cho-viability-p1 set1 4 17.2289340586 -28.500144192 -4.068976132 -32.569120324 0.3 0.5971800872 0.0989721745 -10.26160289 -11.08858123 -0.05748011 -1.58726132 -10.94999305 -7.52468363 -12.34142067 -5.16330195 -18.27531237 -8.87333606 -19.35567704 -13.6473827 -17.10544573 -23.80760027 -21.01126497 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4548-53-2 5463878 144213172 Ac FD&C Red 4 [Na+].[Na+].Cc1cc(C)c(cc1S(=O)([O-])=O)/N=N/c3cc(c2ccccc2c3O)S([O-])(=O)=O Tox21_302855 -NCGC00257000-01 196707408 tox21-ror-cho-viability-p1 set1 4 6.1130564862 9.1587518319 -11.8109391839 -2.652187352 4.9549173134 0.6577737009 0.0598821609 -7.05056158 -13.03472648 -8.30696522 -12.29982705 -12.42661228 -8.50737962 -12.09850135 -16.07317209 -10.08826486 -17.34244932 -13.4931379 -2.15389422 -0.54348946 -5.15387019 -3.42405431 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 127-17-3 1060 144213601 Fns 2-Oxopropanoic acid CC(=O)C(=O)O Tox21_303284 -NCGC00257021-01 196707412 tox21-ror-cho-viability-p1 set1 4 -2.44177167 -6.70666917 -0.51053635 -15.9105374 -8.44904068 -9.44122243 -2.21315344 -5.63803218 -8.79024089 -17.10443144 -5.41292504 -12.68601154 -11.38072408 -6.19749241 -1.36838085 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-14-9 7789 144213352 A A 12-Hydroxyoctadecanoic acid O=C(O)CCCCCCCCCCC(O)CCCCCC Tox21_303035 -NCGC00256962-01 196707822 tox21-ror-cho-viability-p1 set1 4 -0.99978613 -0.5887578 0.4192072 1.40386275 0.81420559 0.66421458 -1.18702434 1.29846099 -0.96818012 0.35049507 1.82626068 2.37356015 -0.49350381 2.7691849 -1.07128608 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-16-5 5365125 144213571 A Fc Bis(2-ethylhexyl) maleate O=C(\C=C/C(=O)OCC(CC)CCCC)OCC(CCCC)CC Tox21_303254 -NCGC00256653-01 196707824 tox21-ror-cho-viability-p1 set1 4 -0.4302285 -3.25603123 -2.16071789 0.75112395 -1.52326315 -0.18483223 1.87011979 -0.80260562 0.41237216 -1.64998466 0.25886944 -0.94094128 1.90127767 -0.9222384 2.23220541 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 8006-90-4 144212981 M M Peppermint oil Tox21_302664 -NCGC00256939-01 196707833 tox21-ror-cho-viability-p1 set1 4 76.9588215421 12.6862991841 0.3137008159 13 4.9549173134 0.3658506838 0.3065548217 0.30955018 -1.52618709 2.24378289 0.71025715 4.71209134 -2.11078257 -0.46814418 -0.40516284 -3.66114902 0.34284822 -6.40524932 5.69844349 3.19588213 -0.74735929 9.2996153 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-58-3 7150 144213515 Bc Ac Methyl benzoate COC(=O)c1ccccc1 Tox21_303198 -NCGC00256479-01 196707838 tox21-ror-cho-viability-p1 set1 4 -0.53769946 5.24078282 2.17040656 0.557437 3.07090042 0.75467396 3.39129539 4.53556734 3.63445653 -2.17957798 2.90969322 0.59205283 -0.87314559 3.32008992 7.26800484 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 470-82-6 2758 144213219 F Fns 1,8-Cineol CC2(C)OC1(C)CCC2CC1 Tox21_302902 -NCGC00256524-01 196707841 tox21-ror-cho-viability-p1 set1 4 6.4739398 3.04724314 2.77712981 0.21929692 1.26352345 0.16232767 1.42145625 4.2854187 2.36581836 2.08854706 1.52325894 -2.75142061 -0.24991582 4.83969376 -2.99891222 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2227-13-6 16685 144213301 A A Tetrasul Clc2cc(Sc1ccc(Cl)cc1)c(Cl)cc2Cl Tox21_302984 -NCGC00257417-01 196707843 tox21-ror-cho-viability-p1 set1 4 3.36560461 1.38180554 -2.09012824 -2.13791118 1.43057709 -1.95887144 4.78976173 4.32025133 1.0490226 -2.23489778 5.48405411 6.63355755 4.59442457 -1.43643452 6.41885578 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 480-63-7 10194 144213763 A A 2,4,6-Trimethylbenzoic acid Cc1cc(C)cc(C)c1C(O)=O Tox21_303453 -NCGC00254347-01 196719781 tox21-ror-cho-viability-p1 set3 4 7.6958821542 21.912737464 -12.912737464 9 0.2 0.631988576 0.0756086491 -8.94383524 -12.42728122 -5.39187667 -11.35491743 -10.27724311 -5.36863702 -4.04374043 -4.54344729 -3.13196956 -6.38909783 -0.3372217 -1.41445874 -3.92193131 -3.6224363 6.51567286 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 134-20-3 8635 144210665 A A Methyl 2-aminobenzoate Nc1ccccc1C(=O)OC Tox21_300347 -NCGC00256822-01 196719360 tox21-ror-cho-viability-p1 set2 4 0.0273060203 3.8602070441 0.1397929559 4 4.9549173134 0.3849139595 0.3070921187 2.29649843 -0.36492381 -1.13350587 -0.31245178 2.65428893 5.05764598 2.72303005 5.4326236 1.49914117 0.95720804 9.33312184 5.44652968 4.45302251 0.96318179 0.3038954 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2305-05-7 16821 144212934 A A gamma-Dodecalactone O=C1CCC(CCCCCCCC)O1 Tox21_302617 -NCGC00256490-01 196719365 tox21-ror-cho-viability-p1 set2 -1.2 1.2197151236 -28.4844708879 1.5 -26.9844708879 3.9294729863 0.9351685181 0.0000342178 1.52161392 1.69817117 0.16514993 1.94985119 -0.25483191 4.03622085 -0.32142974 2.1585673 0.78057383 -20.93794227 -29.80202278 -31.61249104 -32.90372574 -23.33921245 -17.76623856 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93957-54-1 446155 144213082 A A Fluvastatin O=C(O)C[C@H](O)C[C@H](O)/C=C/c2c(c1ccccc1n2C(C)C)c3ccc(F)cc3 Tox21_302765 -NCGC00091278-03 196719770 tox21-ror-cho-viability-p1 set3 4 0.0485577337 6.5480955719 -6.5480955719 0 4.9549173134 0.6920549836 0.0422895056 -6.00716257 -11.70674631 -4.98150815 -1.90556839 -8.04749887 -0.00618464 1.30321355 -0.07600042 -1.10394663 0.04005948 0.79263377 -1.29490772 0.62463185 -0.60657997 0.41352328 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00254362-01 196720179 tox21-ror-cho-viability-p1 set3 4 0.01232872 -1.80232508 -4.66760814 -0.57729075 -4.13054674 0.01434333 5.42190631 -0.70342595 -1.89073403 -4.82917147 -4.55646318 -1.1467449 -6.33442379 -2.90782512 -4.53521139 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 668981-02-0 9949821 144210775 A A CP-863187 CC(C)c2nnc1ccc(cn12)c4ocnc4c3cc(F)ccc3F Tox21_300457 -NCGC00254651-01 196720610 tox21-ror-cho-viability-p1 set3 4 1.9311524801 18.20686624 -11.20686624 7 0.2 0.6892345001 0.0437016205 -9.3390552 -8.92742629 -6.31008017 -3.53233188 -5.34044538 -4.40747399 -5.25025721 -1.16137578 -4.93436157 -1.81523545 -2.20993484 -1.28368025 -4.13377398 0.09417424 5.31556393 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 51235-04-2 39965 144211062 A A Hexazinone CN(C)C2=NC(=O)N(C1CCCCC1)C(=O)N2C Tox21_300745 -NCGC00258984-01 196721002 tox21-ror-cho-viability-p1 set3 -2.3 28.3087237247 -96.647872519 -3.9777363769 -100.6256088959 1.24751 0.988932375 0.761181787 -5.60966694 -3.059103 -1.63459078 -0.99297179 -5.48048644 -4.10169453 -4.93998721 -4.05422484 -8.07490293 -4.00951281 -8.36883797 -26.72282378 -39.46890782 54.15234349 -83.85467408 1.216E-9 2.718E-9 6.078E-9 1.359E-8 3.0389999999E-8 6.795E-8 1.519E-7 3.3979999999E-7 7.597E-7 0.000001699 0.000003799 0.0000084939999999 0.000018989999999 0.00004247 0.00009497 534-07-6 10793 144208631 D 1,3-Dichloropropanone ClCC(=O)CCl Tox21_201433 -NCGC00259553-01 196721014 tox21-ror-cho-viability-p1 set3 4 27.1949826514 8.4272919959 -3.4272919959 5 2.3531167061 0.3724802031 0.2999035457 -5.135677 -2.37645864 1.50531821 5.62273676 -4.20311394 -5.63439814 -5.24483773 -4.61131409 -7.02274333 -4.5849456 -6.66168477 -2.20524519 -0.85357711 2.54391299 4.48145731 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004107 0.00009184 91-20-3 931 144209202 A Ac Naphthalene c1cccc2ccccc12 Tox21_202004 -NCGC00259816-01 196721021 tox21-ror-cho-viability-p1 set3 4 -1.7598871 4.40944012 -2.27679898 -6.06261707 1.35010528 -0.24469204 -0.53850038 -1.40746226 0.66399273 -1.17827774 -1.48630018 5.49182945 1.06427523 -4.3108818 -1.0524628 1.165E-9 2.606E-9 5.827E-9 1.303E-8 2.9129999999E-8 6.514E-8 1.457E-7 3.2569999999E-7 7.2829999999E-7 0.000001629 0.0000036419999999 0.000008143 0.00001821 0.00004071 0.00009104 2425-79-8 17046 144209465 A A 1,4-Butanediol diglycidyl ether C(CCCOCC1CO1)OCC2CO2 Tox21_202267 -NCGC00259851-01 196721411 tox21-ror-cho-viability-p1 set3 4 50.4139149523 16.2085664079 -4.2085664079 12 2.4729283767 0.8258397354 0.00444783 -3.61235486 -3.39842253 -2.7036905 -10.17380534 -5.05983108 -3.9975874 -5.39591339 -4.74157619 -5.22818331 -1.62422393 -3.05228496 -3.33596868 -2.75138803 4.40688732 9.86172437 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.6859999999E-8 8.243E-8 1.8429999999E-7 4.121E-7 9.2159999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 0.00005152 0.0001152 27178-16-1 33733 144209500 A F Diisodecyl hexanedioate CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C Tox21_202302 -NCGC00258764-01 196716450 tox21-ror-cho-viability-p1 set2 4 60.5714923824 -17.4369044039 -0.5 -17.9369044039 2.4729283767 0.6609424932 0.0582954463 -4.67398718 -4.23168787 1.06932149 0.11777177 2.30958596 -5.14443519 1.31161919 2.49893668 1.44846435 0.10255065 1.7936243 0.10737285 -2.27856433 -5.07587775 -13.28075367 1.171E-9 2.617E-9 5.8529999999E-9 1.3089999999E-8 2.926E-8 6.543E-8 1.463E-7 3.2719999999E-7 7.316E-7 0.0000016359999999 0.000003658 0.0000081789999999 0.00001829 0.0000409 0.00009145 434-22-0 9904 144208410 A A Nandrolone O=C4CC[C@H]3C(CC[C@@H]1[C@@H]3CC[C@]2(C)[C@@H](O)CC[C@@H]12)=C4 Tox21_201212 -NCGC00257405-01 196727275 tox21-ror-cho-viability-p1 set3 1.2 6.6900160379 40.7243766857 0.4035481669 41.1279248526 3.9899729863 0.9871307215 1.7E-8 2.62164759 1.84477353 0.21800641 0.28447081 1.02425041 0.07845367 -0.65609187 1.5877469 -1.56782284 -1.75783032 1.7053265 25.2529416 43.11272417 38.00738821 15.63242986 1.0499999999E-9 2.3479999999E-9 5.25E-9 1.174E-8 2.6249999999E-8 5.869E-8 1.312E-7 2.935E-7 6.562E-7 0.000001467 0.000003281 0.0000073369999999 0.00001641 0.00003668 0.00008203 129299-90-7 180494 144213812 A A Fabesetron hydrochloride Cl.Cc4ncnc4C[C@H]3CCc2c(C)c1ccccc1n2C3=O Tox21_303504 -NCGC00163903-03 196726446 tox21-ror-cho-viability-p1 set3 4 1.47806332 -5.05853444 -1.00210437 2.33656261 1.71366162 2.63185964 -2.61471421 0 -2.95915628 -0.98644965 -0.00248351 0.89553673 0.48540395 -1.92801378 -1.86814445 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00256613-01 196726452 tox21-ror-cho-viability-p1 set3 4 4.8557733675 8.076918504 -0.576918504 7.5 4.9549173134 0.543703561 0.1574379971 0.26270043 0.0945935 2.45937017 1.5551039 -0.23529143 -0.66098514 -2.85972907 -2.74379674 -1.9702323 0.74826038 -2.98076542 14.41546412 4.08325806 4.58709151 -1.24183324 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 108-89-4 7963 144213278 Fns 4-Methylpyridine Cc1ccncc1 Tox21_302961 -NCGC00257336-01 196726868 tox21-ror-cho-viability-p1 set3 4 2.4336516212 -5.212883812 4.5 -0.712883812 4.9549173134 0.566452036 0.1241226861 1.62741472 5.0297003 3.53509273 3.86532637 0.43649253 4.70902276 6.68082804 5.5862091 5.4077554 7.64111364 -3.51073651 0.4362329 0.49082635 0.07696737 -1.08768174 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 70568-60-4 4132186 144213836 A I 4-Butylcyclohexanol OC1CCC(CCCC)CC1 Tox21_303529 -NCGC00091483-03 196727272 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -17.80527306 -1.5 -19.30527306 4.9549173134 0.7532368383 0.018723688 -0.61608606 -3.29105226 1.32144558 -0.47022142 1.0330654 -1.805975 -2.47112444 -1.13621257 1.36509595 -2.89288362 -5.41451351 1.65683201 -4.69514244 -2.31562827 -16.08772755 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00091632-02 196727273 tox21-ror-cho-viability-p1 set3 4 10.8707224818 11.1681328079 -1.1681328079 10 2.3331733767 0.5392465197 0.1610682188 0.10730114 1.09388917 -1.31440286 0.87750224 1.62827846 -1.20074877 -1.08461509 -11.80677734 0 0 0 1.52667471 9.49193127 8.31575061 0.23729028 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00257103-01 196727279 tox21-ror-cho-viability-p1 set3 4 4.12362145 1.53537563 -2.374326 4.00105381 0.39598194 0.72532551 2.48888674 -0.91230893 -0.97557799 1.79342171 0.27838782 4.05059218 -1.88066154 4.04014432 3.52400742 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 719-32-4 12868 144213415 F 2,3,5,6-Tetrachlorobenzene-1,4-dicarbonyl dichloride Clc1c(C(Cl)=O)c(Cl)c(Cl)c(C(Cl)=O)c1Cl Tox21_303098 -NCGC00257399-01 196727694 tox21-ror-cho-viability-p1 set3 4 -0.89418705 1.2563281 4.16107154 2.95469582 1.13842529 3.85537573 -1.43914497 1.68050876 3.53246848 2.33635568 1.86007764 -1.91225282 -1.48724095 1.17904349 -0.47223517 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1569-01-3 15286 144213725 Ac 1-Propoxy-2-propanol CC(O)COCCC Tox21_303414 -NCGC00091775-03 196727712 tox21-ror-cho-viability-p1 set3 -2.2 38.5707788719 -38.801524236 -4 -42.801524236 0.9999999999 0.6807269853 0.0471769236 -4.54242491 1.94802034 0.86547333 -4.75849094 1.75881551 -20.08657374 0 -5.44564579 -13.66340085 -5.84420738 -4.90302148 -10.86286368 -15.60450671 -23.26656841 -32.33460353 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00255630-01 196728108 tox21-ror-cho-viability-p1 set3 4 0.65079047 -2.2518762 22.03887751 14.96102119 2.29678864 8.80934437 6.7521384 5.51375151 1.16019318 4.72666952 8.43129247 17.02964225 11.9630835 10.37608208 4.26642876 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 20780-48-7 89385 144212250 A Bc 3,7-Dimethyloctan-3-yl acetate O=C(C)OC(C)(CCCC(C)C)CC Tox21_301933 -NCGC00255251-01 196728119 tox21-ror-cho-viability-p1 set3 4 -1.84173052 -1.61064319 3.13089088 3.10354782 -1.21566595 1.90229178 1.75388511 3.20500622 -1.40054349 -3.42601535 -4.51268373 -2.03383564 0.09905665 -1.58483296 -5.31978899 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6264-66-0 80434 144211848 C D 3,4,4'-Triaminodiphenyl ether Nc1ccc(cc1)Oc2ccc(N)c(N)c2 Tox21_301531 -NCGC00255280-01 196727792 tox21-ror-cho-viability-p1 set3 4 2.58383622 5.53274797 -3.10842152 11.69903191 0.05907882 -1.24847644 7.70300609 5.21501929 2.06534264 2.91688971 -1.76138202 5.07734748 3.58982099 3.09832684 4.28951397 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 671-16-9 4915 144212055 A D Procarbazine CC(C)NC(=O)c1ccc(CNNC)cc1 Tox21_301738 -NCGC00259975-01 196709166 tox21-ror-cho-viability-p1 set2 4 1.00808117 -1.64279571 1.5349519 1.7314702 -0.16561736 -2.53835898 0.12767217 -1.78431991 -3.04473163 0.46191327 -2.77822844 -1.26571963 -1.01060306 1.16914017 -0.66989899 1.149E-9 2.568E-9 5.743E-9 1.284E-8 2.8709999999E-8 6.421E-8 1.436E-7 3.21E-7 7.1789999999E-7 0.0000016049999999 0.000003589 0.0000080259999999 0.00001795 0.00004013 0.00008973 112-05-0 8158 144209624 A A Nonanoic acid O=C(O)CCCCCCCC Tox21_202426 -NCGC00259827-01 196708747 tox21-ror-cho-viability-p1 set2 -2.4 76.0206207091 -32.708124752 0 -32.708124752 4.9549173134 0.9213226886 0.0000953333 -2.04004719 -1.58759297 1.08522656 -0.0120493 1.47788257 1.10242801 -2.22825013 -1.18201914 3.90962898 -0.79463647 -0.98629288 0.08041921 1.07256512 1.8286255 -25.59010396 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.265E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.000008162 0.00001825 0.00004081 0.00009125 673-84-7 5368821 144209476 FNS 2,6-Dimethyl-2,4,6-octatriene C\C(C)=C\C=C\C(\C)=C\C Tox21_202278 -NCGC00259533-01 196708748 tox21-ror-cho-viability-p1 set2 4 -0.66129987 -0.3138991 0.96557746 1.94566756 0.77732775 0.50105778 4.40820587 1.80818669 -0.76117914 -1.03322103 -1.55988679 3.40406196 3.80651237 1.79876772 -0.82579804 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 91-23-6 7048 144209182 A A 1-Methoxy-2-nitrobenzene COc1ccccc1[N+]([O-])=O Tox21_201984 -NCGC00259888-01 196708755 tox21-ror-cho-viability-p1 set2 4 5.98064018 0.23665553 4.29238066 1.67390271 2.7089116 0.13749864 0.75088746 2.87548341 1.09585001 -0.63168576 1.62529092 0.77319346 1.62788627 1.87079551 -1.60432526 1.173E-9 2.6229999999E-9 5.865E-9 1.311E-8 2.9319999999E-8 6.557E-8 1.466E-7 3.279E-7 7.3309999999E-7 0.0000016389999999 0.0000036659999999 0.000008197 0.00001833 0.00004098 0.00009164 115-28-6 8266 144209537 A A Chlorendic acid ClC2(Cl)C1(Cl)C(Cl)=C(Cl)C2(Cl)C(C1C(=O)O)C(=O)O Tox21_202339 -NCGC00259152-01 196709569 tox21-ror-cho-viability-p1 set2 4 0.4402638028 7.99216582 -6.99216582 1 1.8851180601 0.3934038215 0.2785000469 -0.90890065 -3.67504928 -13.14408249 -15.82680485 -2.80027529 -0.32162508 -12.34792539 -0.93632373 -2.60718277 1.22301881 -0.55348952 0.40728596 1.96930707 1.72768984 -0.27966203 1.197E-9 2.677E-9 5.9849999999E-9 1.338E-8 2.993E-8 6.6919999999E-8 1.496E-7 3.346E-7 7.482E-7 0.000001673 0.000003741 0.000008365 0.000018699999999 0.000041819999999 0.000093519999999 122-52-1 31215 144208801 D Triethyl phosphite CCOP(OCC)OCC Tox21_201603 -NCGC00259451-01 196709570 tox21-ror-cho-viability-p1 set2 4 -4.59250949 0.89238644 -31.92626772 -1.34292048 -2.95870848 -1.64121109 -3.70480214 -3.25817286 -1.20924015 -1.02383744 -2.18978476 -3.23557008 -2.57755109 1.00356822 3.45996181 1.194E-9 2.67E-9 5.9699999999E-9 1.335E-8 2.985E-8 6.675E-8 1.4919999999E-7 3.337E-7 7.4619999999E-7 0.000001669 0.0000037309999999 0.000008343 0.00001866 0.00004172 0.00009328 919-31-3 13522 144209100 FC 3-(Triethoxysilyl)propionitrile CCO[Si](OCC)(OCC)CCC#N Tox21_201902 -NCGC00258871-01 196709574 tox21-ror-cho-viability-p1 set2 4 3.68484512 -0.35105638 1.79762135 -6.50905059 -1.43474067 2.71529063 -1.94744619 0.57003384 2.29568903 2.48483272 1.77976673 2.25522632 4.36181332 0.13653703 -2.75305306 1.219E-9 2.725E-9 6.093E-9 1.3619999999E-8 3.046E-8 6.8119999999E-8 1.5229999999E-7 3.406E-7 7.616E-7 0.000001703 0.000003808 0.000008515 0.000019039999999 0.00004257 0.0000952 94-81-5 7207 144208517 A A MCPB Clc1cc(C)c(OCCCC(=O)O)cc1 Tox21_201319 -NCGC00258936-01 196709577 tox21-ror-cho-viability-p1 set2 1.1 2.1800277432 107.6094820939 0.7984309992 108.4079130931 4.9549173134 0.9864911118 2.2E-8 -0.4795863 2.24869278 1.97921939 3.06687583 -0.94095119 -1.76905256 -0.00588858 1.68514888 2.9207361 17.44010302 109.48852492 115.08271029 111.2458058 92.51891671 64.56171286 1.185E-9 2.651E-9 5.927E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3129999999E-7 7.409E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009261 13292-46-1 5458213 144208583 A A Rifampicin CN1CCN(CC1)/N=C/c3c2NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)C=CO[C@@]5(C)Oc4c(C)c(O)c(c2O)c(c3O)c4C5=O Tox21_201385 -NCGC00258862-01 196709589 tox21-ror-cho-viability-p1 set2 4 -3.63202815 -0.59665891 -2.65966083 -3.73031058 -2.17830271 -2.14199218 0.03224501 -0.04225568 -2.56372377 -0.62726236 -1.0508135 -1.35569172 -2.25747141 0.85398786 -5.63978505 1.1779999999E-9 2.634E-9 5.891E-9 1.3169999999E-8 2.945E-8 6.586E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.0000036819999999 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009204 61702-44-1 22584 144208508 A Fns 2-Chloro-1,4-diaminobenzene sulfate Nc1cc(Cl)c(N)cc1.O=S(=O)(O)O Tox21_201310 -NCGC00256002-01 196709983 tox21-ror-cho-viability-p1 set2 4 0.46285736 -0.10864121 -1.37165409 5.04348695 0.66156359 -1.12657554 -1.24414078 -0.60289299 0.19080605 -0.96267832 0.55854866 -0.94950479 -0.70555911 4.41689623 1.26021668 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-89-4 6504 144211800 A A Acetyltriethyl citrate O=C(C)OC(CC(=O)OCC)(CC(=O)OCC)C(=O)OCC Tox21_301483 -NCGC00090698-04 196709984 tox21-ror-cho-viability-p1 set2 4 0.0086349218 6.399945296 -8.399945296 -2 0.6 0.3783823572 0.2983505805 -3.65261152 -6.67849133 -8.66662108 -5.34601047 -2.43042162 -3.40969111 -3.40998468 -1.70445734 -0.66925825 -3.70546497 -0.04897934 -4.05186641 -3.52200767 -4.05346553 1.42160074 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00256471-01 196707512 tox21-ror-cho-viability-p1 set1 4 172.7558945398 12 1 13 0.7 0.5860147756 0.1088995071 0.28505026 2.05029741 1.05345894 0.08751246 1.14117306 1.40564679 0.3388498 1.24779437 2.97657134 1.582005 0.52010131 5.19345353 9.29455563 1.63380399 10.39304263 4.531E-9 1.013E-8 2.2649999999E-8 5.0659999999E-8 1.1329999999E-7 2.533E-7 5.663E-7 0.000001266 0.0000028319999999 0.000006332 0.00001416 0.00003166 0.00007079 0.0001583 0.000354 1321-74-0 66666 144213109 A D Divinylbenzene C=Cc1ccccc1C=C Tox21_302792 -NCGC00255741-01 196710769 tox21-ror-cho-viability-p1 set2 4 -4.93110197 -0.44903244 0.72971388 -0.19234448 0.49246782 -2.8723088 -5.60698744 -0.41563461 -1.47259052 -1.62184926 -0.61883308 -4.01576769 0.82118637 -0.00175823 -2.75696538 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-51-0 31214 144211631 Fns Ethyl orthoformate CCOC(OCC)OCC Tox21_301314 -NCGC00255511-01 196710346 tox21-ror-cho-viability-p1 set2 -2.2 54.4826732819 -36.278011076 -2 -38.278011076 3.0654483358 0.9012976676 0.0003024244 -0.56320335 1.37367589 -4.39757208 -0.89254016 -0.21113803 -0.28656208 -6.73416408 -8.36130556 -1.46807698 0.39209537 -0.2408229 -0.18430279 -2.67813167 -13.09675828 -32.31500923 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 29091-05-2 34468 144212538 A A Dinitramine CCN(CC)c1c(cc(c(N)c1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Tox21_302221 -NCGC00255687-01 196710362 tox21-ror-cho-viability-p1 set2 4 -1.65950519 -2.06960384 -0.52908454 -2.04494264 -1.22277546 -2.30485151 -0.51157271 -3.52013756 1.19164895 1.164644 2.0056474 1.06386819 -2.05096437 0.25631294 2.98765201 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13254-34-7 83268 144212265 A A 2,6-Dimethyl-2-heptanol CC(C)(O)CCCC(C)C Tox21_301948 -NCGC00255340-01 196710364 tox21-ror-cho-viability-p1 set2 4 48.5577336745 -21.323263724 3 -18.323263724 1.0999999999 0.8380513804 0.0032159689 3.09823401 8.2215018 1.79190772 4.00295606 5.05173809 3.66390207 2.62013439 0.00855988 1.88559974 0.75659681 0.31447768 0.88353536 -2.74371126 -4.97238336 -13.60271977 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13684-56-5 24743 144212171 F D Desmedipham O=C(Oc1cccc(c1)NC(=O)OCC)Nc2ccccc2 Tox21_301854 -NCGC00255460-01 196710777 tox21-ror-cho-viability-p1 set2 4 0.41576872 -0.04878493 -8.29317757 -4.46856629 -1.37654446 0.60088454 -0.58300526 -0.31444761 -2.24345587 -0.62475375 -2.50767951 -2.28016224 -1.32888951 -4.54755757 1.42035955 5.81E-10 1.299E-9 2.9049999999E-9 6.496E-9 1.4529999999E-8 3.248E-8 7.263E-8 1.6239999999E-7 3.6309999999E-7 8.12E-7 0.000001816 0.0000040599999999 0.0000090779999999 0.0000203 0.00004539 5908-99-6 656678 144212490 A A Atropine sulfate monohydrate O.CN3[C@H]1CC[C@@H]3C[C@@H](C1)OC(=O)C(CO)c2ccccc2.O=S(=O)(O)O.OCC(c1ccccc1)C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)N3C Tox21_302173 -NCGC00255215-01 196711183 tox21-ror-cho-viability-p1 set2 4 0.0024336516 10.455875288 -9.955875288 0.5 2.3331733767 0.7709340621 0.0189788808 -8.29656274 -4.49170565 0.20269229 0.06434576 -1.09593558 3.25596167 1.20222576 -0.38392112 0.24769627 0.28585702 0.00163311 2.98774332 1.7635025 -2.03006203 -6.26513707 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 9004-82-4 23665884 144212691 A Sodium lauryl polyoxyethylene ether sulfate [Na+].[O-]S(=O)(=O)OCCOCCCCCCCCCCCC Tox21_302374 -NCGC00257772-01 196711192 tox21-ror-cho-viability-p1 set2 4 -0.22204865 0.19353612 -3.05890496 0.18087898 0.08065326 -5.69779187 -0.80644243 -8.38670818 -6.44158323 -4.97615027 0.14490192 5.91146057 -7.5701199 1.75673263 -9.02990399 1.154E-9 2.5799999999E-9 5.7679999999E-9 1.29E-8 2.884E-8 6.449E-8 1.4419999999E-7 3.225E-7 7.21E-7 0.000001612 0.000003605 0.000008061 0.00001803 0.00004031 0.000090129999999 3018-12-0 18177 144207416 B Dichloroacetonitrile ClC(Cl)C#N Tox21_200218 -NCGC00260515-01 196711592 tox21-ror-cho-viability-p1 set2 4 24.2375538006 15 2 17 0.7 0.8004538286 0.0080034163 3.10508821 1.08721532 2.83255011 0.26480999 0.76575423 2.91866415 4.5507485 3.51973154 7.36569057 1.04471509 4.35535128 5.99761144 9.90489674 10.14059195 13.53236141 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.4699999999E-7 3.2859999999E-7 7.3479999999E-7 0.000001643 0.000003674 0.0000082159999999 0.00001837 0.00004108 0.00009185 13520-92-8 159678 144210167 Zirconyl chloride octahydrate O.O.O.O.O.O.O.O.Cl[Zr](Cl)=O Tox21_202969 -NCGC00256342-01 196708307 tox21-ror-cho-viability-p1 set1 4 0 2.44181005 -3.29576705 4.36880072 5.23656356 -1.10928932 -0.10803155 0.60182937 0.52780845 -0.23950952 2.77705874 -5.68742395 -0.55081116 -1.48340581 8.75468457 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.891E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003852 0.000008614 0.00001926 0.00004307 0.00009631 2489-77-2 2779938 144213170 A A 1,1,3-Trimethyl-2-thiourea CN(C)C(=S)NC Tox21_302853 -NCGC00256569-01 196707885 tox21-ror-cho-viability-p1 set1 4 27.3060203028 -16.926587748 0 -16.926587748 4.9549173134 0.9676687769 7.502E-7 -1.26241664 -1.53455869 -0.74554927 -1.08334646 0.32445921 -0.38984542 -0.04453585 1.62943194 1.51595581 -0.60723478 -1.27887338 1.01424124 -1.97286599 -15.60315921 -16.60548979 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-91-0 68570 144213948 A A 17alpha-Estradiol Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@H](O)CC[C@@H]12)c4cc3 Tox21_303644 -NCGC00256920-01 196707895 tox21-ror-cho-viability-p1 set1 4 1.07652827 -1.46239863 -0.09840395 2.02891873 -0.8775075 -0.49407848 0.39187952 3.26569293 0.70022805 -0.53360845 -0.6661777 2.56450958 2.69581843 3.0614904 2.85931988 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-29-5 7984 144212938 A Ac Oxacycloheptadecan-2-one O=C1CCCCCCCCCCCCCCCO1 Tox21_302621 -NCGC00256574-01 196708297 tox21-ror-cho-viability-p1 set1 4 1.35732624 0.80221509 1.71497549 -1.12924429 -0.95516978 2.23751731 0.26457409 3.76231672 -0.77229693 -0.38274571 1.58189007 4.4781718 -1.8757421 1.79565923 5.77795797 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-14-7 7220 144213251 A A 1,2,3-Benzotriazole c1cccc2nnnc12 Tox21_302934 -NCGC00259140-01 196722213 tox21-ror-cho-viability-p1 set3 4 -12.03522235 -7.83541488 -4.25902426 -0.31035756 -2.06635993 -4.09081601 -6.93951606 -2.00077849 -3.78447737 -0.20092259 -8.84093773 0.8818336 -0.21994312 -8.80846196 -20.80690233 1.1679999999E-9 2.6129999999E-9 5.8419999999E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.4599999999E-7 3.2659999999E-7 7.3019999999E-7 0.0000016329999999 0.0000036509999999 0.000008164 0.00001826 0.00004082 0.00009128 99-04-7 7418 144208789 A A 3-Methylbenzoic acid Cc1cccc(c1)C(O)=O Tox21_201591 -NCGC00259724-01 196721816 tox21-ror-cho-viability-p1 set3 -2.4 61.3793157847 -28.927281124 -1.5 -30.427281124 1.9673362061 0.8245280419 0.0045649279 -3.56083019 -0.03598526 -2.43159086 -0.35041196 -0.51407223 2.83454242 -7.53516932 3.1856201 -2.6385603 0.60446256 -2.32536528 -2.88046766 -4.25440415 -9.94783492 -22.02273427 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.309E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008272 0.0000185 0.00004136 0.00009248 133-18-6 8615 144209373 A A Phenethyl anthranilate Nc2ccccc2C(=O)OCCc1ccccc1 Tox21_202175 -NCGC00259437-01 196721825 tox21-ror-cho-viability-p1 set3 4 15.2148709852 -20.149660176 -2 -22.149660176 0.3 0.4781308432 0.1987523492 -4.35842833 -6.24393677 -6.05068886 -3.68555433 -5.91579961 -7.83262505 -4.07600375 -3.26904761 -11.93117621 1.28816603 -11.45702639 -12.5394925 -16.29777397 -10.53535372 -16.79138348 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 119-53-9 8400 144209086 A A Benzoin OC(C(=O)c1ccccc1)c2ccccc2 Tox21_201888 -NCGC00091632-02 196722222 tox21-ror-cho-viability-p1 set3 4 -6.29971196 -7.34543757 -4.45102392 -2.35912819 -4.63592371 -8.23125353 -4.39388773 -5.75079438 -5.37082026 -1.77067668 -6.74757174 -5.30163565 -4.4739667 -4.35335287 -13.78616334 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00015500-19 196722615 tox21-ror-cho-viability-p1 set3 4 0.0530803864 6.0966835599 -0.5966835599 5.5 2.7202212143 0.4335137618 0.2409613764 0.58043168 -3.25579771 3.43525767 1.41698198 -6.7472363 2.39374151 3.22182114 3.71061651 8.14260388 5.38654505 4.83098932 2.84169974 -0.09688314 7.22203811 11.21447837 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52-86-8 3559 170464841 A Haloperidol Fc1ccc(cc1)C(=O)CCCN2CCC(O)(CC2)c3ccc(Cl)cc3 Tox21_110162_1 -NCGC00248061-02 196722625 tox21-ror-cho-viability-p1 set3 4 3.78221626 3.1787867 4.27676143 3.30334584 2.67162043 2.1094423 2.2591206 0.79171291 -1.12736729 -1.67763634 3.33129123 -4.1735722 0.46198735 2.81353934 12.29094356 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112733-06-9 5724 170466650 A A Zenarestat Brc3ccc(CN2C(=O)c1ccc(Cl)cc1N(CC(=O)O)C2=O)c(F)c3 Tox21_113652 -NCGC00256337-01 196718117 tox21-ror-cho-viability-p1 set2 4 -3.69126729 -2.5056275 0.04774099 -2.89442414 0.27000981 -2.83423043 1.01854156 -5.14415387 -0.55921243 0.19911935 1.35987892 -1.68059185 2.43336505 -5.26925119 2.74807965 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-11-1 7173 144213103 A A 2,4-D isopropyl ester Clc1cc(Cl)ccc1OCC(=O)OC(C)C Tox21_302786 -NCGC00090760-08 196717701 tox21-ror-cho-viability-p1 set2 4 76.4894813809 -31.0750496159 -3.5 -34.5750496159 4.9549173134 0.6666963621 0.0546275198 -5.46853336 -9.50237861 -6.74028622 -5.82526561 -4.74798622 -14.0200571 -1.42735127 1.15738143 0.95689499 -0.88709466 -2.8568993 -1.6003179 -0.37943088 -1.25329841 -27.14587468 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00018125-05 196717702 tox21-ror-cho-viability-p1 set2 2.2 29.8492948118 46.8694157193 2.1670124229 49.0364281422 3.9899729863 0.9521831886 0.0000065945 0.11710526 0.10764479 -0.51295497 0.41262414 3.08682493 5.17477123 5.89577335 5.98478288 0.60741927 3.46390068 -0.85671532 -0.3508515 3.05551161 10.87557582 42.19257661 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6138-56-3 197066 170465118 A Tripelennamine citrate O=C(O)C(O)(CC(=O)O)CC(=O)O.CN(C)CCN(Cc1ccccc1)c2ccccn2 Tox21_111518_1 -NCGC00256431-01 196718097 tox21-ror-cho-viability-p1 set2 4 -3.68482276 0.2416121 -1.925225 -0.37799846 -19.12035157 -3.59919138 -4.59721863 -1.85538055 -12.27328506 -8.96456069 8.14424366 -0.0869323 -0.93007743 -0.84612659 0.04934062 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 538-23-8 10850 144213079 A Tricaprylin O=C(CCCCCCC)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC Tox21_302762 -NCGC00256503-01 196718511 tox21-ror-cho-viability-p1 set2 4 -0.0065431 2.4348385 -0.9747706 1.24262035 0.61290265 5.26090971 3.66566627 2.12017117 1.72760971 1.89374785 3.07205597 2.53867863 5.06402144 6.08501126 0.98175475 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-05-9 7274 144213261 Fns Allyl methacrylate C=C(C)C(=O)OCC=C Tox21_302944 -NCGC00256961-01 196718514 tox21-ror-cho-viability-p1 set2 4 -2.59186942 -13.36931217 -4.9029732 -1.38809764 -7.24410583 -8.74123493 -4.24705008 -10.45143879 -10.12501449 -5.83219993 -7.08921718 -0.70431544 -4.16004119 -8.79841297 -9.10658362 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 262-20-4 9217 144213558 A Ac Phenoxathiin c1ccc2Sc3ccccc3Oc2c1 Tox21_303241 -NCGC00258487-01 196729788 tox21-ror-cho-viability-p1 set3 4 17.4393986943 6.7381994839 -0.7381994839 6 4.9549173134 0.4042165697 0.2877212908 2.38374823 3.48719769 0.42437171 -2.9148348 -2.21075989 -3.51312862 -3.10138291 0.37356039 -0.4755518 -0.80382492 1.97484778 -5.19849957 4.07085403 5.62065472 0.85909786 1.1919999999E-9 2.6649999999E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004163 0.000093099999999 119-33-5 8391 144208131 A F 4-Methyl-2-nitrophenol O=[N+]([O-])c1cc(C)ccc1O Tox21_200933 -NCGC00257966-01 196729457 tox21-ror-cho-viability-p1 set3 4 0.52792412 0.76200322 0.54345966 -0.12185428 -1.05156293 0.60205169 0.85572665 0.27744165 -0.57285033 6.54926452 -0.36365179 0.60478371 1.2574534 2.53526288 4.03941625 1.1859999999E-9 2.653E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001854 0.00004145 0.00009268 88-68-6 6942 144207610 A A 2-Aminobenzamide O=C(N)c1ccccc1N Tox21_200412 -NCGC00258391-01 196729444 tox21-ror-cho-viability-p1 set3 4 -0.56082101 -8.75217157 -8.98917914 -0.5392344 0.4997496 -0.43650062 -5.09557777 -3.81006137 0.04010959 0.30489197 -3.79553009 0.72258193 1.3879084 -4.75185959 -7.57103032 1.202E-9 2.688E-9 6.0119999999E-9 1.344E-8 3.006E-8 6.721E-8 1.503E-7 3.361E-7 7.5139999999E-7 0.0000016799999999 0.0000037569999999 0.000008401 0.000018789999999 0.00004201 0.00009393 619-23-8 12078 144208035 D 3-Nitrobenzyl chloride O=[N+]([O-])c1cc(CCl)ccc1 Tox21_200837 -NCGC00257905-01 196729448 tox21-ror-cho-viability-p1 set3 4 4.10813373 -6.36842579 -5.31014135 -6.46617494 -19.67485332 -14.20663267 -13.2080089 -19.96061498 -24.21844481 0 0 0 -7.24179717 -5.93155939 -5.5336915 1.162E-9 2.599E-9 5.812E-9 1.2999999999E-8 2.9059999999E-8 6.4979999999E-8 1.453E-7 3.249E-7 7.265E-7 0.000001624 0.000003632 0.000008122 0.00001816 0.00004061 0.000090809999999 67634-00-8 106729 144207549 A A Prop-2-en-1-yl (3-methylbutoxy)acetate CC(C)CCOCC(=O)OCC=C Tox21_200351 -NCGC00258192-01 196729453 tox21-ror-cho-viability-p1 set3 -1.1 27.2504920471 -66.0986020217 -0.281974959 -66.3805769807 4.9549173134 0.9862531576 5.4E-9 1.02256678 -2.99832413 -1.76696208 1.65127001 -3.65213866 -3.85299697 -0.99471967 2.00388809 1.28733217 -0.03482655 -1.83198694 2.74075255 -4.18099185 -62.72682403 -65.07899704 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.3169999999E-8 2.944E-8 6.583E-8 1.472E-7 3.2919999999E-7 7.3599999999E-7 0.0000016459999999 0.00000368 0.0000082289999999 0.000018399999999 0.00004115 0.000092 55-86-7 5935 144207836 FC Nitrogen mustard hydrochloride Cl.ClCCN(C)CCCl Tox21_200638 -NCGC00091284-03 196729849 tox21-ror-cho-viability-p1 set3 4 -2.95902841 -1.89123043 -2.53645346 -2.46290771 -1.89418043 1.84677725 -1.44954546 -2.43344746 0.66041689 -2.650423 -13.73938664 0 -7.84824995 -0.1967674 -1.21209613 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00257696-01 196729871 tox21-ror-cho-viability-p1 set3 4 1.00950461 0.30582961 -0.12648939 -0.17456857 0.13927887 1.47311651 1.45342529 0.99035975 1.2080732 2.37818536 0.90339056 0.20983899 1.06886909 0.05869938 -3.69568963 1.1739999999E-9 2.625E-9 5.871E-9 1.3129999999E-8 2.9349999999E-8 6.564E-8 1.468E-7 3.282E-7 7.338E-7 0.000001641 0.000003669 0.000008204 0.00001835 0.00004102 0.00009173 85-44-9 6811 144207340 A A Phthalic anhydride O=C1OC(=O)c2ccccc12 Tox21_200142 -NCGC00258399-01 196730271 tox21-ror-cho-viability-p1 set3 4 1.11121128 4.2611119 3.71001916 3.48167884 0.11194779 0.5684909 0.62525972 -0.54658881 -2.88000002 -1.98011307 -2.74504476 -1.91214752 0.50840166 0.8476604 1.83430109 1.19E-9 2.661E-9 5.951E-9 1.331E-8 2.975E-8 6.653E-8 1.4879999999E-7 3.326E-7 7.438E-7 0.000001663 0.000003719 0.000008316 0.0000186 0.00004158 0.00009298 115-70-8 8282 144208043 A A 2-Amino-2-ethyl-1,3-propanediol CCC(N)(CO)CO Tox21_200845 -NCGC00259139-01 196709184 tox21-ror-cho-viability-p1 set2 4 0.1526165797 5.5622036319 -5.5622036319 0 1.55794881 0.3842179327 0.5256637129 -0.37141781 -3.59244094 -11.30183636 -43.29848105 -9.35977518 0.56039923 -5.65391189 -0.06736621 -0.88905596 -0.87351729 0.16766701 -0.56089721 -0.42196272 0.4912556 -0.32286809 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 0.000091709999999 623-17-6 12170 144208788 B Fns Furfuryl acetate O=C(C)OCc1ccco1 Tox21_201590 -NCGC00259001-01 196709181 tox21-ror-cho-viability-p1 set2 4 -0.61060828 -0.49606026 0.50295544 0.09752952 -0.89363046 0.7243252 -0.61864484 -1.54990321 -1.82777316 5.63132165 12.30799737 5.70278953 -0.11205541 -7.58068697 -2.8873327 1.177E-9 2.631E-9 5.884E-9 1.316E-8 2.942E-8 6.578E-8 1.471E-7 3.289E-7 7.355E-7 0.000001645 0.0000036769999999 0.000008223 0.00001839 0.00004111 0.000091939999999 52479-85-3 40399 144208648 A A Exifone Oc2ccc(C(=O)c1cc(O)c(O)c(O)c1)c(O)c2O Tox21_201450 -NCGC00259738-01 196709183 tox21-ror-cho-viability-p1 set2 4 -1.88129846 -3.75828086 -1.88185749 -18.50560907 -0.61088611 1.21764808 -3.9319127 -0.66474533 -2.23546194 -0.8675171 -2.67588787 -2.26141546 -1.53949973 0.68634377 6.59325207 1.2069999999E-9 2.6979999999E-9 6.033E-9 1.349E-8 3.017E-8 6.746E-8 1.5079999999E-7 3.373E-7 7.5419999999E-7 0.0000016859999999 0.0000037709999999 0.000008432 0.00001885 0.000042159999999 0.000094269999999 106-65-0 7820 144209387 A F Dimethyl succinate COC(=O)CCC(=O)OC Tox21_202189 -NCGC00259159-01 196709185 tox21-ror-cho-viability-p1 set2 4 -0.79149467 -2.04330175 -0.1957825 -2.01969976 -1.24478405 -2.22584714 -1.00312197 -0.71167068 -2.15000151 0.4451525 -0.40334564 1.03180472 -1.72187164 -1.04983832 0.52573592 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 89-57-6 4075 144208808 A F 5-Aminosalicylic acid OC(=O)c1cc(N)ccc1O Tox21_201610 -NCGC00091009-05 196709603 tox21-ror-cho-viability-p1 set2 -2.4 48.9356919594 -36.9089963359 -0.5 -37.4089963359 1.92824246 0.9590430731 0.0000028097 -0.60549874 0.41829142 0.23127906 0.64024327 -4.39928285 0.32701576 -0.60971862 0.97592699 0.29864013 -0.2600854 -4.01827765 0.07235227 -4.72474515 -14.42309689 -27.84083028 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00259659-01 196709604 tox21-ror-cho-viability-p1 set2 4 -1.42570092 -5.58876313 -2.56076073 1.10582619 -1.35721716 0.97277435 0.51716594 -3.23919632 -1.51164441 0.49236132 -1.06251438 -2.14975325 -3.76279928 0.42505664 -1.60016174 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.9669999999E-8 6.635E-8 1.484E-7 3.318E-7 7.4179999999E-7 0.000001659 0.000003709 0.000008294 0.00001855 0.000041469999999 0.00009273 57-66-9 4911 144209308 A A Probenecid O=S(=O)(N(CCC)CCC)c1ccc(cc1)C(=O)O Tox21_202110 -NCGC00258905-01 196709610 tox21-ror-cho-viability-p1 set2 -1.2 17.053873378 -34.078903448 0 -34.078903448 2.2526478767 0.9691138487 5.735E-7 -0.53271452 2.5275731 -0.09778754 0.05425135 0.17592041 0.72861977 -1.05007745 0.70827777 0.71641161 1.24280667 -6.72136149 -2.10564662 -19.71748926 -28.50507129 -34.23241954 1.1699999999E-9 2.617E-9 5.852E-9 1.3089999999E-8 2.926E-8 6.543E-8 1.463E-7 3.2719999999E-7 7.315E-7 0.0000016359999999 0.000003658 0.0000081789999999 0.00001829 0.000040889999999 0.000091439999999 83-26-1 6732 144208551 A C Pindone CC(C)(C)C(=O)C2C(=O)c1ccccc1C2=O Tox21_201353 -NCGC00259536-01 196708376 tox21-ror-cho-viability-p1 set2 -1.3 6.0261267288 -90.1548701911 1.7052164839 -88.4496537072 3.6272481694 0.9983556279 0.3324254406 -25.43133439 1.14653635 4.14296196 4.10092854 0.8831647 3.81786396 -31.47651075 -0.00255115 0.8026392 0.17498458 -10.94419049 -50.25444564 1.16958548 -88.8048732 -88.27632802 1.166E-9 2.606E-9 5.8279999999E-9 1.303E-8 2.9139999999E-8 6.516E-8 1.457E-7 3.2579999999E-7 7.285E-7 0.000001629 0.0000036429999999 0.0000081449999999 0.00001821 0.00004073 0.00009106 133-07-3 8607 144209185 D Folpet ClC(Cl)(Cl)SN2C(=O)c1ccccc1C2=O Tox21_201987 -NCGC00256942-01 196707965 tox21-ror-cho-viability-p1 set1 4 68.5896218971 13.140447892 -1.640447892 11.5 4.0949729863 0.4568523308 0.2194439872 -3.12873272 -3.1596899 -0.03924799 -0.4062103 -8.86703991 1.98472947 -0.81395727 1.92157057 -1.73502387 -5.17352397 0.20616301 -3.88764917 1.41476191 -0.60304496 8.58067352 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-91-8 8083 144213557 Morpholine C1CNCCO1 Tox21_303240 -NCGC00256382-01 196707968 tox21-ror-cho-viability-p1 set1 -2.4 136.8542877692 -27.501091096 -12.870226564 -40.37131766 0.7 0.3736367162 0.2973471127 -11.64299033 -7.39185547 -12.099733 -10.55623297 -15.70143583 -19.84025156 -14.71671279 -15.7251568 -21.21961058 -8.70142403 -20.145134 -12.09909172 -13.68854529 -16.46680909 -31.97609805 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15721-02-5 27465 144213228 A A 2,2',5,5'-Tetrachlorobenzidine Clc1cc(N)c(Cl)cc1c2cc(Cl)c(N)cc2Cl Tox21_302911 -NCGC00256679-01 196707976 tox21-ror-cho-viability-p1 set1 4 -3.34045027 -10.01872229 -11.93366483 -6.38968026 -1.61904962 -5.74023866 -13.73569538 -13.22502383 -12.97354386 -8.8494829 -13.35735402 -9.36485394 -6.76341827 -2.03717497 -4.18964027 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3008-43-3 3321360 144213939 A F 3-Methylcyclohexane-1,2-dione O=C1C(=O)CCCC1C Tox21_303634 -NCGC00259662-01 196708377 tox21-ror-cho-viability-p1 set2 4 0.2142552198 -4.820228644 -1 -5.820228644 4.9549173134 0.351964042 0.3198927986 -5.220136 -8.18352387 2.92517071 1.26488146 2.76954829 -2.92733435 1.55479105 -7.94750549 -7.56498685 -6.76514429 -5.74652323 -5.07325121 -3.38523513 -5.6505608 -3.98866078 1.1679999999E-9 2.612E-9 5.8409999999E-9 1.3059999999E-8 2.92E-8 6.53E-8 1.4599999999E-7 3.265E-7 7.3009999999E-7 0.0000016319999999 0.0000036499999999 0.000008162 0.00001825 0.00004081 0.00009126 87-61-6 6895 144209311 B F 1,2,3-Trichlorobenzene Clc1cccc(Cl)c1Cl Tox21_202113 -NCGC00255654-01 196710804 tox21-ror-cho-viability-p1 set2 4 6.86995849 -0.80250865 0.86895962 4.3746515 3.43756818 -2.22426067 4.3636371 2.31258047 -10.90898723 2.33324875 0.59133286 1.73920899 2.94071847 1.63283199 8.16494414 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67-73-2 6215 144212681 A A Fluocinolone acetonide OCC(=O)[C@]45OC(C)(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3C[C@H](F)C1=CC(=O)C=C[C@@]12C Tox21_302364 -NCGC00260653-01 196711215 tox21-ror-cho-viability-p1 set2 4 1.69314105 0 3.46747253 -1.1227684 -0.36254415 2.53697034 -14.23034079 5.43646899 3.7324323 3.4209594 6.15726817 -23.15511079 7.44414275 1.71935741 -2.06047152 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49549 144210306 M M NTP Mix94 ER AR1 18-EQP Tox21_203108 -NCGC00163771-03 196711216 tox21-ror-cho-viability-p1 set2 2.2 54.4826732819 50.004777524 3.5877909599 53.5925684839 0.9999999999 0.8073445741 0.0067860394 -1.06423499 -1.89670914 -1.26690567 6.01186138 5.90143132 1.00876228 1.8117276 12.96270282 6.6260401 13.40864634 1.36266931 9.36687949 13.68343726 21.57015268 40.8264523 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00357052-01 196711217 tox21-ror-cho-viability-p1 set2 -3 6.8589621897 -83.0490530907 -8.026849814 -91.0759029047 4.9549173134 0.825161402 0.0140580446 -5.80263587 -5.24447236 -7.52604301 -4.35179174 -3.1182158 -5.66791648 -1.933782 -15.15386789 -8.77060696 -29.96260115 -2.67616836 -68.99689614 -8.68531764 -3.75754349 -2.14543994 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3120-74-9 18391 251919894 A 3-Methyl-4-(methylthio)phenol Cc1cc(O)ccc1SC Tox21_303747 -NCGC00357275-01 196711218 tox21-ror-cho-viability-p1 set2 -1.1 3.0637858693 -86.3207059819 6.5 -79.8207059819 2.0478617061 0.9982789466 0 5.7957576 3.90827906 5.55634523 6.22210302 6.46276546 9.66171085 5.78750984 6.36628992 3.37494299 -13.38486955 -41.98289625 -71.80729442 -77.53496309 -79.1667201 -79.46361665 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 130-15-4 8530 251919753 Bc 1,4-Naphthoquinone O=C2C=CC(=O)c1ccccc12 Tox21_303967 -NCGC00260189-01 196711219 tox21-ror-cho-viability-p1 set2 4 8.547183621 19.90639852 0.09360148 20 0.2 0.5556673338 0.1317337098 -0.7553321 4.0514155 3.3474889 5.07580669 5.78648313 9.80912884 5.08746151 12.42749067 6.6615794 6.04279419 5.6591952 7.09107481 9.69343326 11.7346835 16.78407052 1.1699999999E-9 2.6159999999E-9 5.849E-9 1.3079999999E-8 2.925E-8 6.54E-8 1.462E-7 3.27E-7 7.3119999999E-7 0.000001635 0.000003656 0.000008175 0.00001828 0.000040869999999 0.0000914 516474-01-4 16211409 144209839 A Ac 1-Ethyl-3-methylimidazolium methyl sulfate C[n+]1ccn(CC)c1.[O-]S(=O)(=O)OC Tox21_202641 -NCGC00258711-01 196711630 tox21-ror-cho-viability-p1 set2 -2.2 19.4491948283 -33.035302285 -1 -34.035302285 4.9549173134 0.9025684565 0.0005182159 -1.43639883 -1.23631635 -7.48648801 -6.14232482 -0.09721474 -0.87508294 -3.22998009 0.16115309 -0.26831232 2.00653329 -0.82826282 4.02525674 -15.475364 -33.36430025 -15.74212139 1.1859999999E-9 2.6519999999E-9 5.929E-9 1.326E-8 2.9649999999E-8 6.629E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008286 0.00001853 0.000041429999999 0.00009265 23541-50-6 62770 144208357 A A Daunomycin hydrochloride Cl.CC(=O)[C@@]4(O)C[C@H](O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1)c5c(O)c3C(=O)c2c(OC)cccc2C(=O)c3c(O)c5C4 Tox21_201159 -NCGC00256108-01 196710404 tox21-ror-cho-viability-p1 set2 4 57.9833518295 -19.7321318719 -0.5 -20.2321318719 3.0654483358 0.8414042498 0.0029284269 -1.16127456 -0.21873243 1.30326143 -4.11638644 1.57066125 0.00560026 -3.55565211 -3.81867269 1.05394855 -0.51827714 2.46855458 0.71863919 -0.38891614 -7.9697439 -17.27677656 1.368E-9 3.059E-9 6.8389999999E-9 1.529E-8 3.42E-8 7.647E-8 1.71E-7 3.823E-7 8.549E-7 0.0000019119999999 0.000004275 0.0000095579999999 0.00002137 0.000047789999999 0.0001069 140-90-9 23690437 144212082 F Sodium O-ethyl carbonodithioate [Na+].[S-]C(=S)OCC Tox21_301765 -NCGC00255760-01 196709992 tox21-ror-cho-viability-p1 set2 4 1.2553287 -1.94936351 -3.05886901 1.75680124 -0.45613499 -1.02958194 0.61694823 -2.93862392 -1.55999876 1.80006218 1.8062676 -2.04879454 -1.34008657 0.06124029 0.19842474 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63284-71-9 91683 144211568 A A Nuarimol OC(c1ccccc1Cl)(c2cncnc2)c3ccc(F)cc3 Tox21_301251 -NCGC00255866-01 196709995 tox21-ror-cho-viability-p1 set2 4 1.6972005 -1.58271616 4.0116179 -0.66268308 1.06110487 3.65494085 0.28612018 2.70373603 -1.53569869 0.16960373 3.37769266 -0.93369749 4.14348489 1.51356318 -1.46751148 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 125-13-3 31315 144212248 A A Oxyphenisatin Oc1ccc(cc1)C2(c3ccccc3NC2=O)c4ccc(O)cc4 Tox21_301931 -NCGC00255449-01 196710004 tox21-ror-cho-viability-p1 set2 4 2.7306020303 3.8761887719 -4.8761887719 -1 4.9549173134 0.3845236087 0.2896983595 -2.98404075 -4.88518685 -0.71445737 -10.73015731 -1.1252048 -7.33706608 -6.93641831 -6.21508689 -4.64913819 -5.32873527 -1.36126615 -0.48689505 1.69521296 -2.39192836 -2.08972628 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 151-05-3 9024 144212098 A A Dimethylbenzylcarbinyl acetate CC(=O)OC(C)(C)Cc1ccccc1 Tox21_301781 -NCGC00255888-01 196710420 tox21-ror-cho-viability-p1 set2 4 3.72573841 1.66020109 3.28525167 0.08901109 -0.39314037 0.33731264 -1.61229207 2.61874781 -1.67850166 -1.80089552 1.99670844 1.72508255 1.41696403 3.49377932 2.00361737 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1571-33-1 15295 144212377 A A Phenylphosphonic acid OP(O)(=O)c1ccccc1 Tox21_302060 -NCGC00259903-01 196721029 tox21-ror-cho-viability-p1 set3 -2.2 68.3107079272 -43.5535783667 -3.742013832 -47.2955921987 1.0999999999 0.7980237853 0.0082868791 -5.69637905 -4.61025792 -4.17055643 6.59014423 -2.6540577 -8.11249627 -6.0249142 -1.63962814 -8.32279764 -4.04526723 -7.04766845 -5.74544387 -9.73861886 -15.3368239 -35.82999409 1.1759999999E-9 2.63E-9 5.8799999999E-9 1.315E-8 2.94E-8 6.574E-8 1.4699999999E-7 3.2869999999E-7 7.35E-7 0.0000016439999999 0.0000036749999999 0.000008218 0.000018379999999 0.00004109 0.00009188 5153-25-3 107377 144209552 A A 2-Ethylhexylparaben Oc1ccc(cc1)C(=O)OCC(CC)CCCC Tox21_202354 -NCGC00254415-01 196720221 tox21-ror-cho-viability-p1 set3 4 0.0216899429 5.20830358 0.29169642 5.5 4.9549173134 0.3251671902 0.3454245975 -1.07260628 7.57340193 -1.55744334 -3.50691965 6.96184611 5.8332826 8.29925831 4.1342216 8.48632661 -0.43524113 5.25385263 8.89150198 3.33283312 5.11296163 5.27471527 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-44-1 7934 144210885 A Bc 3-Methylaniline Cc1cc(N)ccc1 Tox21_300568 -NCGC00254004-01 196720623 tox21-ror-cho-viability-p1 set3 -2.2 34.3762428541 -33.19368941 -6.200947492 -39.394636902 2.2526478767 0.7750760248 0.0128622999 -13.92424727 -17.82017745 -7.46684301 -7.11695736 -11.12830675 -8.4905063 -4.21186108 -2.83101333 -1.83412291 -6.43809186 -2.23399572 -9.17821667 -12.53104074 -25.64421415 -36.47651565 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1260-17-9 10255083 144210614 A A Carminic acid O[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)c4c(O)c3C(=O)c2c(C)c(C(=O)O)c(O)cc2C(=O)c3c(O)c4O Tox21_300294 -NCGC00090987-03 196720631 tox21-ror-cho-viability-p1 set3 -2.4 17.2289340586 -35.9889711 17.5 -18.4889711 1.0641 0.8161147289 0.0055609108 21.0192631 19.92061434 26.61763788 7.12436182 18.46842566 12.4330528 12.24344501 22.77358053 14.81932347 9.41673496 14.10527688 7.48629952 -1.20636651 -10.25566767 -12.49080925 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00090885-03 196716872 tox21-ror-cho-viability-p1 set2 4 61.130564862 -22.5994551599 -0.5 -23.0994551599 3.5722481694 0.7221581339 0.0290567377 -2.06852747 -1.95286634 1.66473916 1.24950045 0.38961324 -5.90048963 -2.23663897 -0.30940927 0.59447945 -0.34291292 -5.26058225 6.78926932 -0.35866541 -5.18562947 -18.8328793 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00257916-01 196716466 tox21-ror-cho-viability-p1 set2 4 -3.05074499 -3.5431538 0.78889184 -2.94336894 -1.14182992 -2.34463174 -0.85044405 -0.94299466 1.3135941 1.30328321 -1.36774105 0.62096379 0.56633078 -2.91975719 0.20743606 1.177E-9 2.631E-9 5.884E-9 1.316E-8 2.942E-8 6.578E-8 1.471E-7 3.289E-7 7.354E-7 0.000001645 0.0000036769999999 0.000008223 0.00001839 0.00004111 0.00009193 78-87-5 6564 144207560 FNS 1,2-Dichloropropane CC(Cl)CCl Tox21_200362 -NCGC00258630-01 196716467 tox21-ror-cho-viability-p1 set2 4 0.9198015396 -5.636841804 0.5 -5.136841804 3.9294729863 0.7034133247 0.0461248566 1.82680418 0.17807378 -0.51111445 0.91335805 -0.56405322 -0.47568889 1.05660741 1.50652469 -0.12575519 -5.32996866 -8.44736817 -5.5197504 -4.82751062 -0.69469189 -0.9823696 1.1299999999E-9 2.5259999999E-9 5.648E-9 1.263E-8 2.824E-8 6.3149999999E-8 1.412E-7 3.1569999999E-7 7.0599999999E-7 0.0000015789999999 0.0000035299999999 0.000007894 0.00001765 0.00003947 0.000088249999999 147-47-7 8981 144208275 A Ac 1,2-Dihydro-2,2,4-trimethylquinoline CC2=CC(C)(C)Nc1ccccc12 Tox21_201077 -NCGC00257980-01 196716468 tox21-ror-cho-viability-p1 set2 4 2.53430226 -0.54428486 1.57514845 -1.16710285 3.59899735 -1.15771373 -1.52365844 0.98646806 2.17545829 0.00171529 -0.66277695 -1.17963745 -0.34082065 1.92381377 0.72542842 1.198E-9 2.6779999999E-9 5.988E-9 1.339E-8 2.994E-8 6.6949999999E-8 1.497E-7 3.3479999999E-7 7.485E-7 0.0000016739999999 0.0000037429999999 0.0000083689999999 0.00001871 0.00004184 0.000093569999999 78-10-4 6517 144207624 D Tetraethyl orthosilicate CCO[Si](OCC)(OCC)OCC Tox21_200426 -NCGC00015755-10 196716871 tox21-ror-cho-viability-p1 set2 4 -4.85497892 2.50702634 2.37088945 2.32147685 -3.14863282 -3.04269496 -5.30150853 -1.70660823 -5.7555996 -3.46115287 -1.61383765 -1.06178372 2.17467353 2.87296013 1.26553097 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 42471-28-3 39214 170466029 A Nimustine Nc1nc(C)ncc1CNC(=O)N(CCCl)N=O Tox21_110214_1 -NCGC00183096-01 196717294 tox21-ror-cho-viability-p1 set2 4 0.88175069 1.79090327 -0.08215493 1.91761599 1.51442985 4.43103454 3.26468725 5.63123698 -0.20576186 3.61462043 5.10243417 4.60974155 -0.52294639 3.61888955 2.99904186 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 147816-23-7 6918126 144206464 I I Cefcapene pivoxil hydrochloride Cl.Nc1scc(n1)\C(=C\CC)C(=O)N[C@@H]3C(=O)N2C(=C(COC(N)=O)CS[C@@H]23)C(=O)OCOC(=O)C(C)(C)C Tox21_112911 -NCGC00015766-13 196717302 tox21-ror-cho-viability-p1 set2 4 1.0590929458 15.2014006359 -8.2014006359 7 0.2 0.7033928672 0.0374503165 -5.77742466 -4.04965674 -6.83450053 -4.29428236 -2.05949657 -2.91660573 -0.45682466 -5.1839179 -0.01283289 0.36299995 -0.96917666 -1.08485274 -0.32357004 1.00577997 4.83820612 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1491-59-4 4636 170464916 A Oxymetazoline hydrochloride CC(C)(C)c2cc(C)c(CC1=NCCN1)c(C)c2O Tox21_110217_1 -NCGC00258274-01 196729942 tox21-ror-cho-viability-p1 set3 4 4.8261600053 -17.8851879519 2 -15.8851879519 4.9549173134 0.8813936703 0.0007473432 1.02623438 0.93807677 1.92991341 0.72557938 0.64716633 1.8076052 -0.40553056 4.965467 3.65964637 1.04360324 1.15058121 -20.32098996 -18.438968 -9.22003711 -14.86977496 1.1739999999E-9 2.626E-9 5.871E-9 1.3129999999E-8 2.9349999999E-8 6.564E-8 1.468E-7 3.282E-7 7.339E-7 0.000001641 0.000003669 0.000008205 0.00001835 0.00004102 0.00009173 119-75-5 8407 144207918 A A 2-Nitrodiphenylamine [O-][N+](=O)c2ccccc2Nc1ccccc1 Tox21_200720 -NCGC00260184-01 196724888 tox21-ror-cho-viability-p1 set3 4 0.0019626438 9.17711438 -6.67711438 2.5 0.6 0.4101281162 0.2666290948 -4.73092865 1.64238237 -1.3492812 -0.78736105 1.86570571 -2.46519888 5.64409381 1.83707737 1.90702005 4.48043861 1.50641922 1.30039058 2.10690256 0.75647584 4.70584033 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.679E-8 1.493E-7 3.3389999999E-7 7.467E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004174 0.00009334 307492-75-7 21977262 144209834 A A 1-Ethyl-2,3-dimethylimidazolium tetrafluoroborate C[n+]1ccn(CC)c1C.F[B-](F)(F)F Tox21_202636 -NCGC00260595-01 196724891 tox21-ror-cho-viability-p1 set3 4 0.0016785492 11.7985940919 -9.2985940919 2.5 1.2221 0.7762723026 0.0128676907 -6.49882841 -5.83483129 1.4326632 -1.92735129 0.57031063 4.52081804 4.22233808 3.26521698 2.30694457 4.03375155 1.29845859 0.56435709 2.74517611 2.96361584 2.43412771 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49491 144210248 M M NTP Mix50 CT1 3-EQP Tox21_203050 -NCGC00258744-01 196730354 tox21-ror-cho-viability-p1 set3 4 -5.6624782 -5.88459444 -6.68882544 -4.73435887 -1.38564113 -3.78522749 1.14363585 -6.26374065 -3.90216386 -3.0024228 -2.37593183 -2.51647894 -3.14433509 -10.15882811 -9.23365135 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9569999999E-8 6.613E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003697 0.000008266 0.00001848 0.00004133 0.000092409999999 7779-30-8 5371084 144208390 C Bc 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1-penten-3-one CC1(C)CCC=C(C)C1/C=C/C(=O)CC Tox21_201192 -NCGC00258522-01 196729945 tox21-ror-cho-viability-p1 set3 4 1.677439906 -9.765379128 -2.5 -12.265379128 4.9549173134 0.5598005275 0.1431622256 0.85677511 -4.92484993 -4.7113145 -5.86915003 -5.92845335 0.63857865 0.20490541 -2.60399818 0.66385097 -6.32749265 -19.38781594 -13.96048496 -13.56799008 -2.98051065 -3.54513964 1.154E-9 2.5809999999E-9 5.772E-9 1.291E-8 2.886E-8 6.453E-8 1.443E-7 3.227E-7 7.215E-7 0.0000016129999999 0.000003607 0.000008066 0.000018039999999 0.000040329999999 0.00009018 106-38-7 7805 144208167 AC Fns 4-Bromotoluene Cc1ccc(Br)cc1 Tox21_200969 -NCGC00090987-03 196729946 tox21-ror-cho-viability-p1 set3 4 0.968854161 -18.37712406 0.5 -17.87712406 3.5117481694 0.7475885577 0.0261229083 0.79025195 1.23071771 1.00999072 -2.30423218 1.62036451 0.03305133 -2.18104049 -0.54397344 0.09288006 -22.8988704 -25.31427005 -22.68950194 -9.56515271 -8.88263447 -3.8376526 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00257780-01 196730356 tox21-ror-cho-viability-p1 set3 4 30.6690184797 10.687778008 -2.687778008 8 0.5999999999 0.4920781629 0.1878467522 -0.10717053 -6.44377897 -1.53842451 -6.82314834 1.14143588 -1.46223342 -1.31343954 0.58890215 -5.25952815 -0.72152399 -0.64446319 0.17426313 2.40055954 2.33090354 5.05746271 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.00004125 0.000092249999999 111-97-7 8151 144207424 A A 3,3'-Thiodipropionitrile N#CCCSCCC#N Tox21_200226 -NCGC00091602-02 196730357 tox21-ror-cho-viability-p1 set3 4 -2.59067304 -4.8923942 -8.02291183 -3.7423509 -6.20059741 -0.26472939 -6.01450692 -2.63641787 -0.13663921 -4.68670759 -0.26677195 -2.87443453 -0.05498519 0.3961208 -4.45656675 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00258123-01 196730359 tox21-ror-cho-viability-p1 set3 4 0.0014201973 -13.5723982201 14 0.4276017799 0.7 0.4711265966 0.2069447315 10.55390258 2.39516154 0.59653709 9.7470823 0.86532366 -0.06033185 0.33600906 0.56458567 0.31098961 1.20810407 0.5494217 0.47905994 0.90292759 0.61489533 0.54243178 1.2169999999E-9 2.7209999999E-9 6.0849999999E-9 1.361E-8 3.042E-8 6.803E-8 1.521E-7 3.401E-7 7.606E-7 0.0000017009999999 0.000003803 0.0000085039999999 0.00001901 0.00004252 0.000095069999999 623-15-4 212930 144207767 A Fns Furfural acetone O=C(C)C=Cc1ccco1 Tox21_200569 -NCGC00357224-01 196712095 tox21-ror-cho-viability-p1 set2 4 -3.04565611 2.1907472 2.92373029 -2.86093555 1.52435107 -1.2539044 0.16504734 -2.19366188 -0.05999614 -3.32494841 -3.27875321 -1.52381483 0.95171589 1.81874647 1.41879178 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 134-85-0 8653 251919863 A 4-Chlorobenzophenone O=C(c1ccc(Cl)cc1)c2ccccc2 Tox21_304009 -NCGC00260437-01 196711277 tox21-ror-cho-viability-p1 set2 2.4 69.5673070586 30.05014958 1.94985042 32 0.8999999999 0.8336986045 0.0036072119 1.34184899 2.56244417 1.7000578 5.65642095 -0.87512465 2.27148373 -0.03666008 4.54920553 2.43547716 4.8815222 5.76919327 4.19672794 5.97131993 10.76335208 23.6272977 1.194E-9 2.67E-9 5.9699999999E-9 1.335E-8 2.985E-8 6.6739999999E-8 1.4919999999E-7 3.337E-7 7.4619999999E-7 0.000001669 0.0000037309999999 0.000008343 0.00001866 0.00004171 0.00009328 1291-32-3 22833502 144210089 Fns Zirconocene dichloride Cl[Zr](Cl)(C1C=CC=C1)C2=CC=CC2 Tox21_202891 -NCGC00357058-01 196712088 tox21-ror-cho-viability-p1 set2 4 -5.26858977 -3.05820926 -8.96605255 -5.68299975 -4.24673898 0 0 0 0 -2.78353737 -16.74353057 0 -14.980966 -15.07830337 5.01509321 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-41-2 6885 251919962 A Phthalide O=C1OCc2ccccc12 Tox21_303762 -NCGC00357284-01 196712087 tox21-ror-cho-viability-p1 set2 4 -3.15370493 -1.41344768 -7.37677262 -14.32661955 -7.14631804 -13.4946808 -2.57312379 -13.70337212 -6.47252776 -4.37740596 -9.02129161 0 0 -13.80361372 -15.26843395 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55179-31-2 91656 251919734 I Bitertanol CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3 Tox21_303756 -NCGC00274274-01 196712508 tox21-ror-cho-viability-p1 set2 4 1.75203101 4.20939848 -0.17678319 4.1825585 1.0558827 2.33064668 1.18053294 -0.27034427 0.03652994 1.23813738 0.03182879 -5.39831206 -4.00875287 -4.10423788 -4.39897525 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63-12-7 2342 170465138 A A Benzquinamide CCN(CC)C(=O)C2CN3CCc1cc(OC)c(OC)cc1C3CC2OC(C)=O Tox21_113977 -NCGC00259999-01 196709222 tox21-ror-cho-viability-p1 set2 4 65.1305066406 -18.6420108799 -1.5 -20.1420108799 1.21 0.7421779746 0.0221681859 -0.88677438 -0.71189615 -6.54486802 -0.30086728 -1.96268947 0.0167204 -0.11212553 -2.65381936 -2.85078973 -5.64301194 -0.96270205 -1.41889979 -3.20810493 -8.73229225 -15.1183424 1.244E-9 2.782E-9 6.22E-9 1.391E-8 3.11E-8 6.954E-8 1.5549999999E-7 3.4769999999E-7 7.775E-7 0.000001739 0.000003888 0.000008693 0.00001944 0.00004346 0.00009719 110-91-8 8083 144209648 AC Ac Morpholine C1CNCCO1 Tox21_202450 -NCGC00259236-01 196709204 tox21-ror-cho-viability-p1 set2 -1.1 1.1961858582 -92.7397543877 1.5854552589 -91.1542991288 1.6266150999 0.9957139888 0.0204027969 0.71361622 3.17309299 1.74608085 -0.78501982 -0.95232171 -1.53967354 1.90593056 -2.29891275 -31.75320387 -54.02638797 -2.17698626 -88.46962462 -90.08431976 -90.53967434 -90.97235442 1.1609999999E-9 2.5959999999E-9 5.806E-9 1.298E-8 2.903E-8 6.4909999999E-8 1.451E-7 3.245E-7 7.257E-7 0.000001623 0.000003629 0.000008114 0.00001814 0.00004057 0.000090709999999 1897-45-6 15910 144208885 Chlorothalonil Clc1c(C#N)c(Cl)c(C#N)c(Cl)c1Cl Tox21_201687 -NCGC00258976-01 196709205 tox21-ror-cho-viability-p1 set2 4 3.91584506 0.59443684 5.72210486 5.81388295 4.37539359 0.27131864 -0.47962084 0.84113314 -0.20914366 2.23241868 1.10665757 0.98382535 -1.1299739 2.31828544 1.70064707 1.18E-9 2.6389999999E-9 5.9009999999E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.299E-7 7.376E-7 0.000001649 0.000003688 0.0000082469999999 0.00001844 0.000041229999999 0.0000922 1747-60-0 15630 144208623 A A 2-Amino-6-methoxybenzothiazole COc1ccc2nc(N)sc2c1 Tox21_201425 -NCGC00259671-01 196709218 tox21-ror-cho-viability-p1 set2 4 -1.03910112 -0.39632844 -2.24008187 -2.37583777 -0.5229743 0.81190913 -2.28198755 2.79887411 -2.15967517 -3.80259044 -4.28916649 -0.65062937 -1.2629588 2.04708408 0.31944483 1.196E-9 2.6749999999E-9 5.981E-9 1.338E-8 2.9909999999E-8 6.6879999999E-8 1.4949999999E-7 3.344E-7 7.477E-7 0.0000016719999999 0.0000037379999999 0.0000083589999999 0.00001869 0.000041799999999 0.000093459999999 144-62-7 971 144209320 Oxalic acid O=C(O)C(=O)O Tox21_202122 -NCGC00258926-01 196709616 tox21-ror-cho-viability-p1 set2 4 68.6593799697 -21.930147796 0.5 -21.430147796 4.0949729863 0.8006057371 0.0079249771 4.68906453 -2.58157796 -0.74536202 -0.94700268 3.94739252 -0.84783659 2.23437987 1.40873197 3.6205806 -0.54459035 -0.78832186 -1.73997215 0.0586542 -2.00614834 -16.19178983 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.000041259999999 0.000092249999999 53-16-7 5870 144208573 A A Estrone Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)C(=O)CC[C@@H]12)c4cc3 Tox21_201375 -NCGC00259683-01 196709620 tox21-ror-cho-viability-p1 set2 4 -1.27409935 0.9306058 -4.69412861 -4.65128913 -2.92894372 -4.27150294 0.69557503 -1.15749684 -1.06704245 0.33027515 -1.41614619 -2.54837408 -3.380617 0.39174062 0.37942001 1.1759999999E-9 2.63E-9 5.8799999999E-9 1.315E-8 2.94E-8 6.574E-8 1.4699999999E-7 3.2869999999E-7 7.35E-7 0.000001643 0.0000036749999999 0.000008217 0.00001837 0.00004109 0.00009187 2516-40-7 612040 144209332 B Bc 2-Bromobenzothiazole Brc1nc2ccccc2s1 Tox21_202134 -NCGC00259774-01 196709626 tox21-ror-cho-viability-p1 set2 4 -0.74230609 1.09157614 0.6502259 0.42629325 -0.1114523 -1.31817042 0.66766544 4.91057542 0.75945285 -0.08650654 -1.58032662 -0.10900854 -1.84117098 -1.36662968 5.88134943 1.156E-9 2.585E-9 5.779E-9 1.292E-8 2.8899999999E-8 6.461E-8 1.4449999999E-7 3.231E-7 7.224E-7 0.000001615 0.000003612 0.0000080769999999 0.000018059999999 0.00004038 0.0000903 542-76-7 10963 144209423 A A 3-Chloropropionitrile ClCCC#N Tox21_202225 -NCGC00259810-01 196709633 tox21-ror-cho-viability-p1 set2 -2.2 48.5577336745 -40.065102992 2 -38.065102992 2.4063783767 0.9711779068 3.879E-7 1.10543765 0.34067184 0.1969309 0.99474427 4.993323 0.9045398 1.78993466 0.71510166 1.412595 3.60152551 4.62365549 2.99561612 -0.79490704 -15.43648596 -30.47091916 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-56-3 7340 144209459 A A 2-Amino-5-azotoluene Cc2cc(/N=N/c1ccccc1C)ccc2N Tox21_202261 -NCGC00160434-02 196713283 tox21-ror-cho-viability-p1 set2 4 -4.67662326 -1.36399273 -4.27362578 -2.94366701 -3.06607222 2.68599193 -3.37756012 -2.32287906 -2.38299155 3.00350908 -5.80990171 -3.03395131 -1.38896813 0.01677944 3.77889263 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64204-55-3 68835 170466195 A Esaprazole O=C(CN1CCNCC1)NC2CCCCC2 Tox21_111808_1 -NCGC00178352-06 196712468 tox21-ror-cho-viability-p1 set2 -2.1 26.6032120037 -107.5406763076 -0.856331792 -108.3970080996 1.372261 0.9551462377 0.0000046235 -2.28666121 -0.26142483 -2.79201212 0.30341816 1.20517362 -0.7331029 -0.23274832 1.44437239 0.20594194 -1.16473226 -2.31113502 -10.46101917 -31.99400842 -34.44295038 -82.11894553 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1715-30-6 102678 170466240 A Alexidine dihydrochloride Cl.Cl.CCCCC(CC)CNC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NCC(CC)CCCC Tox21_111380_1 -NCGC00093560-05 196712868 tox21-ror-cho-viability-p1 set2 4 -4.15837398 -0.03793512 -6.73314313 -4.18839173 -1.00752163 -9.60018931 -5.34890614 -4.03209155 -4.55333855 -5.87133734 -0.84049068 -7.35546621 -3.0935758 -6.62616971 -5.58799796 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98319-26-7 57363 170464818 A Finasteride CC(C)(C)NC(=O)[C@H]4CC[C@@H]3[C@]4(C)CC[C@H]1[C@H]3CC[C@H]2NC(=O)C=C[C@]12C Tox21_110717_1 -NCGC00016557-06 196712892 tox21-ror-cho-viability-p1 set2 -2.4 9.4391758155 -20.860480372 -3.5097927159 -24.3702730879 1.0999999999 0.917657354 0.0001208789 -3.44276903 -0.84149393 -6.72764789 -3.84076995 -4.72842238 -2.12132995 -1.31037128 -5.82370915 -3.27586289 -5.18135871 -4.66425537 -10.72540874 -14.96741783 -15.81182241 -22.39189424 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 985-13-7 5702159 170466346 A Ethaverine hydrochloride Cl.CCOc1ccc(cc1OCC)Cc3nccc2cc(OCC)c(cc23)OCC Tox21_110492_1 -NCGC00166243-03 196713297 tox21-ror-cho-viability-p1 set2 4 5.9557173066 -17.325438776 -0.5 -17.825438776 1.0999999999 0.5924656727 0.1170302367 2.16393334 -1.62613597 1.70615435 2.01137085 -0.70041665 -6.30593099 1.59037341 -0.8017634 -7.95664425 -3.11620777 0.29939557 -5.64041462 -16.52119898 -11.00623667 -3.84702156 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2440-22-4 17113 170466144 A 2-(2H-Benzotriazol-2-yl)-4-methylphenol Cc1cc(c(O)cc1)n2nc3ccccc3n2 Tox21_112369_1 -NCGC00160537-04 196713299 tox21-ror-cho-viability-p1 set2 4 -1.58357183 -2.89304684 -0.70898022 -0.13892311 -2.31819389 -0.10668511 -3.60511164 -3.73045768 0.21097877 2.02573712 1.83176863 -2.31767898 -2.4862608 -1.77443736 -7.07600355 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00260235-01 196711658 tox21-ror-cho-viability-p1 set2 2.4 77.0370913869 25.8986988041 0.1013011959 26 4.9549173134 0.8799534951 0.000797652 0.92993848 0.93115325 0.58056867 1.75395777 -1.04776731 -1.72695639 5.17101588 -0.60590311 -0.14557283 0.69051299 0.19939988 -1.99891567 0.32825755 -1.31123231 20.0335811 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.00009229 401788-99-6 11254899 144209885 FNS 1-Butyl-4-methylpyridinium hexafluorophosphate Cc1cc[n+](CCCC)cc1.F[P-](F)(F)(F)(F)F Tox21_202687 -NCGC00260190-01 196711232 tox21-ror-cho-viability-p1 set2 4 44.777766168 15.828719728 -0.328719728 15.5 2.7202212143 0.7312385756 0.0258199353 1.35506989 0.29567112 -0.56290843 -0.45752864 -0.85863874 1.62434448 -4.83358249 -0.75047723 -0.63244503 2.18285574 1.69283243 1.78240604 -4.85726644 8.55421552 13.37688375 1.214E-9 2.7139999999E-9 6.07E-9 1.357E-8 3.035E-8 6.786E-8 1.517E-7 3.393E-7 7.587E-7 0.000001697 0.000003794 0.000008483 0.00001897 0.000042409999999 0.000094839999999 412009-61-1 16217215 144209840 A Ac 1-Ethyl-3-methylimidazolium hydrogen sulfate C[n+]1ccn(CC)c1.[O-]S(=O)(=O)O Tox21_202642 -NCGC00260634-01 196711239 tox21-ror-cho-viability-p1 set2 4 18.8336317891 -28.2912981759 0 -28.2912981759 2.4063783767 0.5197271787 0.1775180734 0.13114699 0.14772219 0.08909135 -0.35121211 1.30200871 1.36384202 0.09694197 -13.28111863 -2.27258473 1.0935786 1.61544941 2.05109942 3.13146748 -20.24274848 -3.0927774 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49530 144210287 M M NTP Mix110 ER1 10-EQC Tox21_203089 -NCGC00164077-02 196711648 tox21-ror-cho-viability-p1 set2 2.4 54.4826732819 20.6230287361 1.3769712639 22 1.9673362061 0.9473088218 0.0000113974 1.69135702 1.83868543 1.08711462 0.68243167 -0.93585728 1.80432908 0.46912925 1.70847074 0.78921263 3.69244739 1.79538956 1.01406755 3.26523962 8.27590486 17.20853094 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00260565-01 196712064 tox21-ror-cho-viability-p1 set2 4 21.1316824289 16.4116402279 -7.4116402279 9 3.5117481694 0.5191624646 0.1617613624 -2.36360822 -11.03273446 -3.86242094 -4.29484498 -4.02634415 -10.85961307 -4.38184569 -11.05485767 -11.63345865 -6.02915197 -13.25970019 0 -10.6228455 0.98401748 7.79637431 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49461 144210218 M M NTP Mix73 CT1 62-EQP Tox21_203020 -NCGC00357267-01 196712065 tox21-ror-cho-viability-p1 set2 4 68.5896218971 17.1583255799 -0.6583255799 16.5 4.0449729863 0.6770873915 0.0495843009 -1.08920781 2.0690093 -0.92259588 -2.03420253 3.63811479 3.76176343 -2.27999782 -3.086817 -1.31117789 -3.68473576 -4.29860465 0.22008426 -0.4826695 1.40864389 12.59771678 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-87-2 7962 251919824 Fns Methylcyclohexane CC1CCCCC1 Tox21_303867 -NCGC00256629-01 196718554 tox21-ror-cho-viability-p1 set2 4 3.42994854 0.40228266 -5.88908163 -7.19704783 -8.27045583 -17.31960936 -9.94320524 -0.53420292 -6.40690156 0.15319609 -1.17388357 -5.00094017 -3.72478549 0.45678783 -6.54635384 1.167E-9 2.609E-9 5.8339999999E-9 1.304E-8 2.917E-8 6.522E-8 1.458E-7 3.261E-7 7.2919999999E-7 0.000001631 0.000003646 0.000008153 0.00001823 0.00004077 0.00009115 1244-76-4 71612 144212880 A A Hydroxyzine hydrochloride Cl.Clc1ccc(cc1)C(c2ccccc2)N3CCN(CC3)CCOCCO Tox21_302563 -NCGC00259853-01 196721851 tox21-ror-cho-viability-p1 set3 4 35.0415267255 17.201444608 -3.201444608 14 2.4063783767 0.7345843254 0.0245448359 -4.18810585 -11.00120384 -2.28056347 -1.50462559 -3.39483119 -6.25151943 -5.02253751 -2.88810369 0.68171055 1.13813948 -2.41849774 -1.09721858 -0.7694015 6.75416211 13.26485397 1.1989999999E-9 2.6809999999E-9 5.9959999999E-9 1.3409999999E-8 2.998E-8 6.703E-8 1.4989999999E-7 3.352E-7 7.495E-7 0.000001676 0.000003747 0.0000083789999999 0.000018739999999 0.000041899999999 0.00009368 142-04-1 8870 144209502 A A Aniline hydrochloride Cl.Nc1ccccc1 Tox21_202304 -NCGC00259574-01 196722235 tox21-ror-cho-viability-p1 set3 4 -8.39051775 -5.92515375 -2.77687479 6.09495568 -7.9434645 -8.50820875 -7.46227718 -9.86174577 -3.089164 -3.53730148 -9.0326217 -5.96946227 1.46082092 -1.37463658 -0.2301341 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041219999999 0.00009218 536-60-7 325 144209223 A A 4-Isopropylbenzyl alcohol OCc1ccc(cc1)C(C)C Tox21_202025 -NCGC00259416-01 196722239 tox21-ror-cho-viability-p1 set3 4 19.4295177126 8.974487952 -6.474487952 2.5 4.9549173134 0.455954272 0.2197479959 -7.84710714 -8.85493942 -9.0320862 1.63424912 -3.78488469 -8.36593371 -6.00104684 -3.72885099 -11.22873996 -3.17303839 -6.9461864 -8.07563383 -2.25932303 4.93879276 -0.67532856 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.625E-8 1.481E-7 3.3129999999E-7 7.407E-7 0.000001656 0.000003704 0.000008281 0.00001852 0.000041409999999 0.000092589999999 98-57-7 7395 144209065 A A 4-Chlorophenyl methyl sulfone O=S(C)(=O)c1ccc(Cl)cc1 Tox21_201867 -NCGC00256378-01 196718134 tox21-ror-cho-viability-p1 set2 4 -3.7716525 -3.68240283 0.15374287 -3.06666888 -0.2265288 -9.9014888 -0.45588738 -2.5247795 -4.96357129 -1.48622884 -1.49357601 -1.46540367 -3.33189888 0.49298911 -4.29446467 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1917-15-3 74710 144213144 A A 5-Methyl-2-furancarboxylic acid O=C(O)c1ccc(C)o1 Tox21_302827 -NCGC00256592-01 196718547 tox21-ror-cho-viability-p1 set2 4 0.18344425 0.45747555 0.19710566 -0.58945526 0.56362403 2.14547122 0.60189275 0.42040059 0.97638182 0.46080896 2.22287086 1.43805029 2.0514196 3.09242137 0.95011509 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-85-3 8142 144213265 F Fns 1-Chlorooctane CCCCCCCCCl Tox21_302948 -NCGC00256544-01 196718548 tox21-ror-cho-viability-p1 set2 4 0.0009506728 -19.7616399 -9.2771443 -5.35318336 -3.72117322 -2.46187303 -1.91714402 -0.06836778 0.64160676 -1.02250528 0.88567497 5.33480283 5.18467553 -1.20176148 1.36007088 1.06402022 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 142-46-1 2724564 144213344 A 2,5-Dithiobiurea NC(=S)NNC(N)=S Tox21_303027 -NCGC00091632-02 196718952 tox21-ror-cho-viability-p1 set2 4 -12.13576448 -8.76755155 -12.50949892 -10.8289132 -9.63872416 -2.27419245 -15.76489696 -10.54034501 -8.44817509 -10.06067005 -2.13648074 -2.05447135 -14.87718193 -19.6100605 -25.7986266 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00257353-01 196718970 tox21-ror-cho-viability-p1 set2 4 1.7228934059 5.329914412 -1.829914412 3.5 2.9522712143 0.3931068608 0.2802320024 -0.45390543 -0.14781476 2.34614059 1.1276113 -0.84947821 -8.60826201 -1.54297483 -7.99072349 -0.26562446 0.64463621 2.36142251 6.07019399 2.43781541 3.99133019 1.36342851 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24295-03-2 520108 144213823 F Fc 2-Acetylthiazole CC(=O)c1nccs1 Tox21_303515 -NCGC00256826-01 196719398 tox21-ror-cho-viability-p1 set2 4 -0.52923543 0.74136104 1.99988426 -0.52269338 0.32515074 1.63901715 -0.66936009 5.38658529 0.49130802 0.76312098 6.55677027 3.08066455 1.41327953 1.0497188 4.34181783 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50816-18-7 39801 144212988 A Ac 9-Decenyl acetate CC(=O)OCCCCCCCCC=C Tox21_302671 -NCGC00256342-01 196719408 tox21-ror-cho-viability-p1 set2 4 -2.40823359 -4.92963161 -2.77403105 1.22709643 -4.16722915 -7.97100448 -4.32529481 1.43170556 -1.9909405 -1.41875411 -0.69631594 -1.64950641 -1.30467693 1.4708994 1.83173724 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.891E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003852 0.000008614 0.00001926 0.00004307 0.00009631 2489-77-2 2779938 144213170 A A 1,1,3-Trimethyl-2-thiourea CN(C)C(=S)NC Tox21_302853 -NCGC00254174-01 196719826 tox21-ror-cho-viability-p1 set3 4 1.28247116 0.96607848 4.66018471 11.13818061 -0.02417167 5.6732576 0.18391279 -4.60235049 1.39483483 -5.76154714 10.74599953 5.54235102 9.85941793 -0.3708571 -8.35847181 1.103E-9 2.466E-9 5.515E-9 1.233E-8 2.758E-8 6.166E-8 1.3789999999E-7 3.083E-7 6.894E-7 0.000001542 0.0000034469999999 0.000007708 0.000017239999999 0.00003854 0.00008618 433212-21-6 16654936 144210579 A A SAR 150640 Cl.CS(=O)(=O)Nc1cc(ccc1O)OC[C@@H](O)CN[C@H]2CC[C@@H](CC2)c3ccc(cc3)C(=O)OCC Tox21_300259 -NCGC00163774-04 196719829 tox21-ror-cho-viability-p1 set3 1.4 0.0035603405 20.073168272 -20.573168272 -0.5 2.2481167061 0.8904388507 0.0005101769 -18.81097356 -13.61988431 -5.40085701 -2.01171197 0.70298735 -2.13354167 -3.47117759 2.0715918 1.52906384 -3.83770079 1.62352213 -1.00580964 0.83093345 -2.72219132 2.28945062 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00165769-03 196726136 tox21-ror-cho-viability-p1 set3 2.2 18.8336317891 33.8270666159 -0.3270666159 33.5 2.7202212143 0.9796403967 5.28E-8 1.2382591 0.26179777 -0.39239139 -1.11915916 1.28570926 -1.39953122 -0.61865245 -0.74636177 -0.29185799 -0.41901501 -1.93922218 2.6184327 1.1273044 18.83484923 30.9955443 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 74697-28-2 16219127 170466522 A Cloricromen hydrochloride Cl.O=C(OCC)COc2ccc1c(OC(=O)C(CCN(CC)CC)=C1C)c2Cl Tox21_112260_1 -NCGC00015096-17 196726137 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -57.7084431614 0.404556656 -57.3038865054 4.9549173134 0.8994756378 0.0003304337 -4.61711498 0 -0.47567746 4.76055022 -10.49789592 5.47894705 0.90497019 5.68786633 -1.11128627 2.91806602 0.78332831 2.85111625 -2.98020052 -0.8550403 -50.26656711 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1951-25-3 2157 170464920 A Amiodarone hydrochloride CCN(CC)CCOc1c(I)cc(cc1I)C(=O)c2c3ccccc3oc2CCCC Tox21_110083_1 -NCGC00262575-02 196726140 tox21-ror-cho-viability-p1 set3 4 0 0 -5.2024951 2.0589218 -12.62864911 -11.91109198 -9.2577486 -9.76396476 2.95923293 1.42274434 -12.19978811 -7.4339133 1.09340809 3.96785616 -1.0779588 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 427-51-0 9880 170465682 A Cyproterone acetate CC(=O)[C@@]4(OC(C)=O)CC[C@H]3[C@@H]5C=C(Cl)C2=CC(=O)[C@@H]1C[C@@H]1[C@]2(C)[C@H]5CC[C@@]34C Tox21_111064_1 -NCGC00254123-01 196719953 tox21-ror-cho-viability-p1 set3 4 7.21776023 -1.60700963 10.05173148 -1.83408883 -4.03017789 10.06021328 -1.50289922 5.71471733 -4.65384012 7.67136254 10.17975745 9.25564892 5.9994474 9.84255536 1.51623006 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-23-1 7289 144210604 AC A 1,3-Dichloro-2-propanol ClCC(O)CCl Tox21_300284 -NCGC00254721-01 196719954 tox21-ror-cho-viability-p1 set3 4 4.25600786 -2.18603548 8.5826765 4.8567564 6.08334582 2.76791559 6.43085321 1.6602115 5.39230413 2.56206412 1.23227582 6.35479551 1.68183848 3.68757391 4.07278957 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2212-67-1 16653 144211134 A A Molinate O=C(SCC)N1CCCCCC1 Tox21_300817 -NCGC00254977-01 196719530 tox21-ror-cho-viability-p1 set3 4 -1.00551836 2.92701246 -0.8529581 4.14369666 2.97956422 2.29410937 -1.09576026 3.47221825 2.71172357 -0.27721721 -3.45495351 2.21615022 0.15169262 3.82238689 5.36256714 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 113136-77-9 11097730 144211393 A A Cyclanilide O=C(O)C1(CC1)C(=O)Nc2ccc(Cl)cc2Cl Tox21_301076 -NCGC00254967-01 196719537 tox21-ror-cho-viability-p1 set3 4 5.78022479 1.56756072 3.2820813 3.10570816 0.60742248 0.96894259 4.31103686 7.4106868 0.82251018 6.92498186 1.3815599 0.22777643 1.89941632 -1.89528283 0.22443287 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24310-41-6 90462 144211382 F F 3-(Chloromethyl)-1,2,3-benzotriazin-4(3H)-one O=C1c2ccccc2N=NN1CCl Tox21_301065 -NCGC00254275-01 196720362 tox21-ror-cho-viability-p1 set3 4 0.685896219 -14.97690924 1.5 -13.47690924 4.9549173134 0.6039398427 0.0939414055 1.45205756 -3.17715579 -8.75583174 5.28365363 4.68491209 0.55323182 5.49570759 4.79375032 -8.18983496 -19.20221745 -17.36116486 -12.01547203 0.30198048 -21.2307577 -11.11832178 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 446-72-0 5280961 144210902 A A Genistein Oc1ccc(cc1)C3=COc2cc(O)cc(O)c2C3=O Tox21_300585 -NCGC00255026-01 196720364 tox21-ror-cho-viability-p1 set3 4 54.4826732819 -18.486118492 5 -13.486118492 3.5722481694 0.5672954352 0.1218448632 7.18565577 -0.51056812 9.08905713 7.82533325 -3.98082086 7.28913918 5.6191663 4.75480235 7.00164714 6.94780468 8.85973424 0.37377518 5.84684052 -0.13386434 -10.82176541 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87818-31-3 16004722 144211444 A A Cinmethylin C[C@]32CC[C@@](C[C@@H]2OCc1ccccc1C)(O3)C(C)C Tox21_301127 -NCGC00254232-01 196720366 tox21-ror-cho-viability-p1 set3 1.4 0.086349218 20.929221892 1.570778108 22.5 0.7999999999 0.8508609283 0.0034021544 8.17330282 -1.60768491 8.29007438 6.33713648 7.10406826 7.71122146 14.19150945 21.3786394 17.47357751 21.48083015 24.16691866 18.83406424 22.82665415 21.84983098 11.84073276 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81131-70-6 16759173 144210590 A A Pravastatin sodium [Na+].[O-]C(=O)C[C@H](O)C[C@H](O)CC[C@H]2[C@@H](C)C=CC1=C[C@@H](O)C[C@H](OC(=O)[C@@H](C)CC)[C@@H]12 Tox21_300270 -NCGC00255031-01 196720369 tox21-ror-cho-viability-p1 set3 4 1.856922 4.97074965 -1.09237624 3.4378778 4.15418399 7.10863729 10.32785624 1.88372375 10.01234904 -4.27659339 3.96925261 1.49739141 5.85472941 10.60600886 7.09353744 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 181274-15-7 12056759 144211449 A A Propoxycarbazone-sodium [Na+].O=C([N-]S(=O)(=O)c1ccccc1C(=O)OC)N2N=C(OCCC)N(C)C2=O Tox21_301132 -NCGC00253959-01 196720372 tox21-ror-cho-viability-p1 set3 4 1.0870722482 -16.7783383999 -2 -18.7783383999 3.9294729863 0.6705576254 0.0524362898 -5.9349908 -12.05056242 -5.37066484 4.10910321 -1.08673553 -2.73859341 2.85749028 1.27303376 2.03191604 -27.315282 -17.92975364 -10.74352734 -20.36117847 -22.6345745 -14.9800683 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-99-7 7784 144210486 A A Dibutyl hexanedioate O=C(CCCCC(=O)OCCCC)OCCCC Tox21_300166 -NCGC00254455-01 196720379 tox21-ror-cho-viability-p1 set3 -2.1 43.2771256911 -121.1189549204 2.8954890652 -118.2234658552 2.7202212143 0.9422632174 0.0000183554 7.05775286 -0.7140569 -2.14345404 -5.7251054 2.73080805 -6.16805677 -3.91457642 12.65772504 8.68465082 8.43607297 -5.40096325 12.48321344 4.5460652 -58.91945073 -103.16183757 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10540-29-1 2733526 144210857 A A Tamoxifen CN(C)CCOc1ccc(cc1)/C(c2ccccc2)=C(/CC)c3ccccc3 Tox21_300539 -NCGC00254379-01 196720773 tox21-ror-cho-viability-p1 set3 4 0.67947304 -1.31898046 -2.41991126 1.88539542 5.56219144 2.92169925 -0.78122151 1.21202704 0.22003808 3.24842123 2.1030524 4.870343 5.42666506 2.86813555 2.72547675 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 353280-07-6 9865929 144210763 A A CP-612372 CC(C)(O)c1ccc(cc1)CNC(=O)c4cccnc4Oc2ccc3nonc3c2 Tox21_300445 -NCGC00254892-01 196720780 tox21-ror-cho-viability-p1 set3 -1.2 6.8380418669 -40.6259247843 -1.319528505 -41.9454532893 4.9549173134 0.9522904666 0.0000064994 -8.31088104 -7.56180202 3.21976498 0.73657835 -1.79312407 0.21388813 3.64091908 -7.33158809 3.25281899 -0.68623223 -1.89605096 -31.13828472 -39.31380557 -41.40702421 -44.55436597 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 533-74-4 10788 144211307 A A Dazomet S=C1SCN(C)CN1C Tox21_300990 -NCGC00016065-11 196723048 tox21-ror-cho-viability-p1 set3 4 0.118832183 8.901653584 -0.901653584 8 3.1319983358 0.4696018676 0.2060793876 3.99214763 3.12249008 -8.43305142 2.72629995 -9.08471132 1.68796905 0.24259255 5.62146988 9.34607671 6.94610682 8.89608121 4.54064766 2.17314576 7.67834548 17.54336046 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1508-75-4 5593 170464754 A Tropicamide OCC(c1ccccc1)C(=O)N(CC)Cc2ccncc2 Tox21_110297_1 -NCGC00016391-13 196698535 tox21-ror-cho-viability-p1 set1 -2.4 26.6032120037 -33.114694384 0.5 -32.614694384 3.2474983358 0.9846690489 1.02E-8 1.01820056 -0.41561929 0.66251317 -0.10530633 -0.11385675 -0.95735995 2.50576323 0.70727621 0.69294212 1.88917109 -1.04759562 0.8360561 -0.57812502 -9.58195377 -28.01224532 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 130-26-7 2788 170465019 A Clioquinol Oc1c(I)cc(Cl)c2cccnc12 Tox21_110416_1 -NCGC00254817-01 196698930 tox21-ror-cho-viability-p1 set1 4 68.5896218971 12.14241992 -1.14241992 11 4.0949729863 0.8231677504 0.0048899234 -1.82112383 -0.91613865 -1.98677667 0.7428449 -2.20100117 -3.4520166 -0.19769695 -0.23231431 -1.63403134 0.66538102 -1.4062936 -1.02779119 0.0539538 0.0302196 8.38267338 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10287-53-3 25127 144211230 A A Parbenate CN(C)c1ccc(cc1)C(=O)OCC Tox21_300913 -NCGC00257526-01 196698938 tox21-ror-cho-viability-p1 set1 4 1.66568738 2.81564881 2.8488377 0.61886753 2.01273578 -0.42851356 3.3083895 3.49415728 1.56085829 2.40468948 -0.3672967 4.30011062 2.95010196 -2.07362298 3.78351727 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 660-68-4 10197650 144211404 A Diethylamine hydrochloride Cl.CCNCC Tox21_301087 -NCGC00178317-03 196722636 tox21-ror-cho-viability-p1 set3 4 1.333319023 -12.2070349279 4 -8.2070349279 4.9549173134 0.682709987 0.0561575344 1.41935885 3.89014646 4.99642127 -2.95886214 1.10254026 4.20354045 11.25374798 9.24187789 1.1965019 6.44953933 -7.51787198 -7.58792394 -11.00586244 -5.095352 3.3042671 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63585-09-1 44561 170465060 F Foscarnet trisodium [Na+].[Na+].[Na+].[O-]C(=O)P([O-])([O-])=O Tox21_111364_1 -NCGC00015646-05 196722639 tox21-ror-cho-viability-p1 set3 4 16.7854920005 -16.8190686439 5 -11.8190686439 2.7202212143 0.3566792521 0.313180377 7.12817429 3.84681266 5.57613839 7.963463 8.88423789 4.26428503 -5.25325233 -10.21569887 14.73178445 3.57292677 6.91794902 6.19219155 9.3962382 -11.09922387 -8.49080148 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56010-88-9 11957593 170465026 A Fomepizole Cl.Cc1cnnc1 Tox21_111241_1 -NCGC00273482-01 196723033 tox21-ror-cho-viability-p1 set3 2.4 0.0530803864 36.464436172 2.912340364 39.376776536 0.9999999999 0.7894787917 0.0988836052 11.80962816 1.34941248 -2.15638303 8.81586506 12.28242086 18.71936623 17.88836169 34.86308504 5.8711615 0.85117796 1.1079851 -1.27957735 3.52426194 4.89870694 27.83334692 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7177-50-6 23704143 170465253 A Nafcillin sodium monohydrate [Na+].O.O=C([O-])[C@@H]3N4C(=O)[C@@H](NC(=O)c1c2ccccc2ccc1OCC)[C@H]4SC3(C)C Tox21_110767_1 -NCGC00263529-01 196723052 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -78.047825039 -1.39221238 -79.440037419 4.9549173134 0.9341259093 0.000037225 -1.40167109 1.31727111 -0.14982172 2.21673554 -1.9200125 -0.10724613 -1.87885186 0.54253922 -6.71455874 -8.23549375 -11.44736729 4.23788045 0.00895174 -0.87980979 -69.68424335 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103890-78-4 5311217 170465580 A Lacidipine CC=1NC(C)=C(C(C=1C(=O)OCC)c2ccccc2/C=C/C(=O)OC(C)(C)C)C(=O)OCC Tox21_112174_1 -NCGC00160398-05 196723469 tox21-ror-cho-viability-p1 set3 4 0.16785492 7.839445272 -3.339445272 4.5 4.9549173134 0.3299109301 0.3389826996 -5.12923958 2.54525079 1.12976899 -0.36611118 3.59502539 -19.03287106 -7.27796756 0 5.70596827 5.64546492 6.4792591 2.37266872 -1.36492026 2.74587767 10.31065032 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82956-11-4 9868041 170465855 A Nafamostat mesilate CS(=O)(=O)O.N=C(N)Nc1ccc(cc1)C(=O)Oc2ccc3cc(ccc3c2)C(=N)N Tox21_111787_1 -NCGC00091351-03 196723471 tox21-ror-cho-viability-p1 set3 4 2.10819522 -9.55446472 18.94713341 6.75104818 0 4.92833712 20.05586823 1.95046715 -20.34549613 5.78349588 6.01006922 6.59320813 1.52984221 6.47636625 -18.673932 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00357215-01 196723864 tox21-ror-cho-viability-p1 set3 4 0.0054482673 13.641200908 -8.141200908 5.5 0.7999999999 0.6592214889 0.059245341 -6.78433409 0.38501703 -3.8417817 1.26183807 2.48075787 3.20959441 4.59660966 7.13905472 3.82212128 8.26901339 6.98813333 6.79391544 0.8376291 1.11158301 7.96290992 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 626-60-8 12287 251919930 Ac 3-Chloropyridine Clc1cccnc1 Tox21_303995 -NCGC00260281-01 196723887 tox21-ror-cho-viability-p1 set3 4 -7.06055678 5.08646175 3.65532706 -1.33080829 1.65091896 3.83213203 3.00617151 -2.67976649 -1.06993022 0.41178316 2.69526274 2.54611963 -2.55491415 0.03040892 0.46301832 6.211E-11 1.3889999999E-10 3.106E-10 6.9439999999E-10 1.553E-9 3.4719999999E-9 7.764E-9 1.736E-8 3.882E-8 8.68E-8 1.941E-7 4.34E-7 9.705E-7 0.00000217 0.000004853 544-92-3 2724144 144209931 Copper cyanide [Cu+].[C-]#N Tox21_202733 -NCGC00094532-06 196726424 tox21-ror-cho-viability-p1 set3 4 -2.19727213 5.85226036 -2.42909541 -7.54643381 1.68457394 -6.84868089 -9.84632713 -4.18473741 -8.46575933 -8.99639089 -7.21768936 3.28477466 0.57779119 1.05692546 -2.812394 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00091080-03 196725995 tox21-ror-cho-viability-p1 set3 4 4.7412298 6.06687907 6.49548738 6.70816221 -4.75398693 0.84401779 6.57914651 -0.4612914 2.64209608 7.95434291 11.63320322 -3.51139245 3.79067518 -0.37185379 1.3088255 1.121E-9 2.506E-9 5.6039999999E-9 1.2529999999E-8 2.802E-8 6.265E-8 1.401E-7 3.133E-7 7.005E-7 0.000001566 0.0000035019999999 0.000007831 0.00001751 0.00003916 0.00008756 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00253731-01 196726003 tox21-ror-cho-viability-p1 set3 4 0 -1.30825176 -3.67409399 1.1281736 6.32210685 2.84448291 3.59451315 6.1979867 -4.9103209 2.78342239 2.48147274 -0.19640718 -4.48660193 2.48976902 -4.78792359 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 30319-05-2 96350 170466758 F Fns 3-Bromo-2-methylthiophene Cc1sccc1Br Tox21_113850 -NCGC00160457-02 196726004 tox21-ror-cho-viability-p1 set3 4 -1.28078561 2.8048596 -0.06299541 3.13088919 -0.54038284 -0.34206854 9.53491724 9.82848176 8.04272399 13.2960271 4.20994427 -2.74370148 1.74976064 3.72476067 5.28055369 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69542-93-4 68888 170466354 A Pivagabine O=C(NCCCC(=O)O)C(C)(C)C Tox21_111827_1 -NCGC00257364-01 196726433 tox21-ror-cho-viability-p1 set3 4 2.48813314 1.86296804 -0.16564509 -0.37949992 -0.41073373 1.34458157 4.39102689 0.31709571 0.36684175 4.79075723 0.74944579 1.84200071 0.4212301 0.38750093 0.14025652 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 462-08-8 10009 144213761 A A 3-Pyridinamine Nc1cccnc1 Tox21_303451 -NCGC00256331-01 196726435 tox21-ror-cho-viability-p1 set3 4 -1.08610929 -2.35755823 -1.55073624 -0.9363287 0.30435962 -2.3139869 -1.73378471 -5.1911493 -0.37050477 -29.24936363 -5.20770373 -3.66015787 -1.2717216 -1.15495611 -2.33237914 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 528-44-9 10708 144213307 A A 1,2,4-Benzenetricarboxylic acid OC(=O)c1cc(ccc1C(=O)O)C(=O)O Tox21_302990 -NCGC00256731-01 196726828 tox21-ror-cho-viability-p1 set3 4 -1.01457819 -1.1772921 0.91610687 0.07524784 5.00812911 0.57094475 4.11342787 2.77849661 5.70451021 3.07794169 -18.92239801 4.15980836 6.18079541 3.59085831 0.7500448 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-51-6 7144 144212998 A A 2-Methoxy-4-methylphenol Oc1ccc(C)cc1OC Tox21_302681 -NCGC00258914-01 196708744 tox21-ror-cho-viability-p1 set2 4 3.76545432 1.3980612 0.19255317 -0.24441327 2.3866644 2.51655626 -0.10164142 3.28503401 -0.11617779 1.31717688 1.18592622 2.46554655 3.23800628 3.95651783 1.27577758 1.148E-9 2.567E-9 5.739E-9 1.2829999999E-8 2.87E-8 6.417E-8 1.4349999999E-7 3.2079999999E-7 7.174E-7 0.000001604 0.000003587 0.000008021 0.00001794 0.0000401 0.00008968 105-53-3 7761 144208560 A A Diethyl propanedioate O=C(CC(=O)OCC)OCC Tox21_201362 -NCGC00256045-01 196709965 tox21-ror-cho-viability-p1 set2 4 -4.17477183 0.35110775 -0.21830564 -0.7719679 -0.69741537 -4.96986366 -0.38895482 -2.73019656 1.06811957 -0.62526604 -2.87586009 -2.82316006 -0.30502073 -1.63520042 0.19020333 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18039-42-4 87425 144212001 A A 5-Phenyl-1H-tetrazole c1ccc(cc1)c2nnnn2 Tox21_301684 -NCGC00255338-01 196709966 tox21-ror-cho-viability-p1 set2 4 61.130564862 17.7093284721 1.2906715279 19 3.1319983358 0.7992001915 0.0082122514 1.32922025 4.17248102 5.9153382 1.09409943 3.47651695 1.72143353 1.40930087 -0.59110706 -0.47750892 1.40935662 0.58242421 0.53112956 0.32649554 5.47003396 15.1531027 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3383-96-8 5392 144212095 F F Temephos COP(=S)(OC)Oc1ccc(cc1)Sc2ccc(cc2)OP(=S)(OC)OC Tox21_301778 -NCGC00256307-01 196709967 tox21-ror-cho-viability-p1 set2 4 0.75153912 4.27947367 2.52744368 1.24709002 -2.25988165 1.06971246 0.42044523 0.89471979 0.98491114 1.04831186 0.11970288 2.13471597 1.12597301 3.46473441 7.38715649 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15930-66-2 85192 144212094 A A 3-(Octyloxy)propan-1-amine NCCCOCCCCCCCC Tox21_301777 -NCGC00259904-01 196708733 tox21-ror-cho-viability-p1 set2 4 -2.15489589 -1.51771271 -0.97760578 -1.98871384 0.49141083 -2.21847204 -2.27964981 -3.29011945 -1.12432098 0.73989287 -1.15091104 -1.30233589 0.31645039 -0.56826767 1.1922649 1.155E-9 2.582E-9 5.7739999999E-9 1.291E-8 2.887E-8 6.4549999999E-8 1.443E-7 3.2279999999E-7 7.217E-7 0.000001614 0.0000036089999999 0.000008069 0.000018039999999 0.00004035 0.00009022 142-46-1 2724564 144209553 A 2,5-Dithiobiurea NC(=S)NNC(N)=S Tox21_202355 -NCGC00258958-01 196708736 tox21-ror-cho-viability-p1 set2 4 1.03198082 3.93994373 5.39967795 3.41755306 3.27914348 -1.34880543 3.75235026 2.96147881 0.49280836 1.21529782 4.83664265 3.09940686 4.18724895 2.60587087 0.99436412 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.0000036889999999 0.000008248 0.00001844 0.00004124 0.00009222 86-57-7 6849 144208605 A A 1-Nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 Tox21_201407 -NCGC00259746-01 196708743 tox21-ror-cho-viability-p1 set2 4 0.1842712 -1.88690457 -4.09647652 -31.45852361 -1.31103099 -4.05377467 -0.56008624 -3.03584086 -3.60274706 0.80960899 -8.66084719 -1.05992071 -3.86088977 -7.88797127 -1.98285737 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.566E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.000008207 0.00001835 0.00004103 0.00009176 834-28-6 13266 144209395 A A Phenformin hydrochloride Cl.N=C(N)NC(=N)NCCc1ccccc1 Tox21_202197 -NCGC00259378-01 196709150 tox21-ror-cho-viability-p1 set2 4 -1.81393799 2.10936238 -0.69149098 -3.36042605 -3.61147079 -3.6869078 0.37663545 -1.90855437 -2.05327723 -4.18506947 -0.63008418 2.10723246 -4.21882977 0.88320955 2.17654023 1.172E-9 2.6199999999E-9 5.858E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.275E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.00001831 0.000040929999999 0.00009153 123-33-1 21954 144209027 A A Maleic hydrazide O=C1C=CC(=O)NN1 Tox21_201829 -NCGC00259282-01 196709155 tox21-ror-cho-viability-p1 set2 4 4.31883479 0.17231832 -0.55908404 0.21408848 0.41054435 0.11741675 2.45425609 2.06423235 0.45397696 1.08231814 3.08263104 3.80768811 5.20879771 4.2052214 4.09821057 1.189E-9 2.6589999999E-9 5.946E-9 1.3289999999E-8 2.973E-8 6.647E-8 1.486E-7 3.3239999999E-7 7.4319999999E-7 0.000001662 0.000003716 0.000008309 0.000018579999999 0.000041549999999 0.0000929 2489-77-2 2779938 144208931 A A 1,1,3-Trimethyl-2-thiourea CN(C)C(=S)NC Tox21_201733 -NCGC00258846-01 196709157 tox21-ror-cho-viability-p1 set2 4 -5.71922744 -1.40605541 -2.6742059 -4.60594943 -0.92176161 1.58945603 1.43813853 -0.33306709 -3.25078259 -2.19696819 -1.81299169 -1.26074659 -1.88840155 -2.76375161 0.17946644 1.163E-9 2.602E-9 5.817E-9 1.301E-8 2.909E-8 6.5039999999E-8 1.454E-7 3.252E-7 7.2719999999E-7 0.0000016259999999 0.000003636 0.00000813 0.00001818 0.00004065 0.000090889999999 96-45-7 2723650 144208492 A Ac Ethylene thiourea S=C1NCCN1 Tox21_201294 -NCGC00259138-01 196709158 tox21-ror-cho-viability-p1 set2 1.4 0.0015230464 20.480322964 -22.480322964 -2 4.9549173134 0.7321736616 0.0254380964 -18.73360247 -2.59978474 -4.06561508 -7.02578593 0.75422301 -1.57181873 -7.31561874 -2.55543712 0.54393757 -0.2531746 -2.97852596 0.76576148 -3.12755041 -1.26040836 0.74126426 1.172E-9 2.621E-9 5.8609999999E-9 1.311E-8 2.9299999999E-8 6.553E-8 1.465E-7 3.276E-7 7.326E-7 0.0000016379999999 0.0000036629999999 0.000008191 0.00001832 0.00004095 0.00009158 120-83-2 8449 144208787 A A 2,4-Dichlorophenol Clc1cc(Cl)c(O)cc1 Tox21_201589 -NCGC00259265-01 196709161 tox21-ror-cho-viability-p1 set2 4 5.18768445 2.16865293 0.94542402 3.71953218 1.28159225 0.7186325 2.27127071 -1.93327668 -2.0681206 -2.48638515 -3.23430333 -3.35098855 -3.05301672 -0.68645424 -3.59994941 1.1609999999E-9 2.5969999999E-9 5.8069999999E-9 1.299E-8 2.9039999999E-8 6.493E-8 1.4519999999E-7 3.246E-7 7.259E-7 0.000001623 0.000003629 0.000008116 0.000018149999999 0.000040579999999 0.000090739999999 98-92-0 936 144208914 A A Niacinamide NC(=O)c1cccnc1 Tox21_201716 -NCGC00259374-01 196709165 tox21-ror-cho-viability-p1 set2 4 -3.68700282 -1.45704279 -2.16737431 -3.66251376 0.50570694 0 -1.38510116 -0.91516978 0.57943886 -0.43568012 -0.97545585 -0.04591675 0.70575704 1.10381288 -0.27962378 1.163E-9 2.5999999999E-9 5.813E-9 1.2999999999E-8 2.9069999999E-8 6.5E-8 1.453E-7 3.25E-7 7.267E-7 0.000001625 0.0000036329999999 0.000008124 0.00001817 0.000040619999999 0.00009083 208-96-8 9161 144209023 AC Bc Acenaphthylene c1cc2cccc3C=Cc(c1)c23 Tox21_201825 -NCGC00258995-01 196709168 tox21-ror-cho-viability-p1 set2 -2.4 27.0285678219 -29.493021616 0.5 -28.993021616 2.09374246 0.9788130307 6.65E-8 1.69682289 0.1392432 2.93197612 0.4142022 3.42886175 1.0324087 0.52044671 -0.82278771 -0.53485727 -0.82409822 0.06594476 -3.16669031 -8.06274304 -20.63797404 -27.49418468 1.1699999999E-9 2.6159999999E-9 5.85E-9 1.3079999999E-8 2.925E-8 6.5409999999E-8 1.463E-7 3.27E-7 7.3129999999E-7 0.000001635 0.000003656 0.000008176 0.00001828 0.00004088 0.00009141 486-66-8 5281708 144208642 A A Daidzein Oc1ccc(cc1)C3=COc2cc(O)ccc2C3=O Tox21_201444 -NCGC00254041-01 196699857 tox21-ror-cho-viability-p1 set1 -2.4 38.5707788719 -34.695016496 1 -33.695016496 2.3331733767 0.9488999555 0.0000095001 0.79149514 1.65643255 3.33409561 -1.51499531 1.87186615 0.0983145 -1.31739304 3.5564958 -0.06947798 -0.34007294 0.21377931 0.55839537 0.33380598 -20.4516589 -28.49584708 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-46-6 6643 144210408 Ac Ac 4-(2-Methylbutan-2-yl)phenol Oc1ccc(cc1)C(C)(C)CC Tox21_300088 -NCGC00091278-03 196700258 tox21-ror-cho-viability-p1 set1 4 0.8295431 2.92209865 0.13884739 0.98924149 2.72146345 0.94588953 0.78665931 3.79812128 1.68935864 0.82168627 0.65084883 -1.77095087 0.53733544 3.16652955 0.99026113 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00254371-01 196699849 tox21-ror-cho-viability-p1 set1 4 0.10206661 1.97856813 -0.63208488 0.80331919 0.75436205 -0.0962625 -3.33713824 2.58833048 0.87333273 -0.32290649 3.30332805 0.83467608 2.1162356 1.23412976 3.30914927 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 207736-05-8 54687772 144210747 A A CI-1029 CC(C)[C@]3(CCc1ccc(N)cc1)CC(O)=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O3 Tox21_300429 -NCGC00254050-01 196699858 tox21-ror-cho-viability-p1 set1 -2.1 61.130564862 -79.5145327175 0.35626665 -79.1582660675 3.6272481694 0.9972246334 0 -1.08379577 -0.90755758 0.01643623 1.92349557 0.92414377 0.0201674 -0.8902842 0.16107311 0.30572109 1.13814419 0.36459308 1.09651468 0.59417935 -15.27516348 -64.51383793 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 196808-45-4 170364 144210538 A A Farglitazar O=C(O)[C@@H](Nc2ccccc2C(=O)c1ccccc1)Cc3ccc(cc3)OCCc4nc(oc4C)c5ccccc5 Tox21_300218 -NCGC00256184-01 196700260 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -21.316422728 1 -20.316422728 4.5044702849 0.9583316742 0.0000031325 1.29464552 2.24663224 1.47487366 1.56767657 0.37830802 -0.53932143 0.05086659 -0.86031138 0.49885966 1.5909301 1.9844168 1.90332903 1.25302141 -0.96208195 -16.09701894 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 64-85-7 6166 144212719 A A 21-Hydroxyprogesterone OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_302402 -NCGC00255646-01 196700277 tox21-ror-cho-viability-p1 set1 4 0.2955008 0.39704574 2.59149169 -0.53088298 -0.87253418 -0.27813796 -1.45306316 -3.47432949 3.14592061 -0.39216476 -1.63493644 -0.68591607 0.28765804 3.09396121 0.28668195 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5973-71-7 22278 144211955 A F 3,4-Dimethylbenzaldehyde Cc1ccc(C=O)cc1C Tox21_301638 -NCGC00256001-01 196700280 tox21-ror-cho-viability-p1 set1 4 -3.41285385 -3.87140609 -5.97727357 -1.3450503 -6.72645542 -4.65831342 -2.64033632 -0.98997773 -1.76586071 1.8159556 -0.97861688 -3.3469485 -3.07227673 0.20028878 -1.69155508 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 499-75-2 10364 144211695 A A Isopropyl-o-cresol Cc1ccc(cc1O)C(C)C Tox21_301378 -NCGC00090704-03 196700673 tox21-ror-cho-viability-p1 set1 4 1.22596823 0.56894234 4.12318863 4.3208323 -2.11880575 4.4496785 1.95686929 1.42132783 2.11392093 -0.16540822 0.1571969 1.24686956 3.06056916 0.67589672 2.78610001 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00255564-01 196700674 tox21-ror-cho-viability-p1 set1 -2.1 61.130564862 -82.1134630123 -0.695744354 -82.8092073663 2.9022712143 0.9424956428 0.0000179765 -1.00649936 0.60032637 -0.16691204 -0.77369022 2.2866365 0.40632979 0.71171735 2.34836003 0.33400657 0.79139986 2.70804402 -14.34337496 -6.68596718 -18.0444768 -64.24939952 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 973-21-7 13783 144212541 A A Dinobuton CC(CC)c1cc(cc([N+]([O-])=O)c1OC(=O)OC(C)C)[N+]([O-])=O Tox21_302224 -NCGC00256135-01 196700678 tox21-ror-cho-viability-p1 set1 4 2.12947169 -0.32582562 0.57930163 2.12878647 0.1860255 -6.09673566 -2.86754241 -0.19066956 -0.69348584 7.56544289 0.25383226 2.87309005 0.11735839 0.43141364 -3.3876277 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 14667-55-1 26808 144212631 F Fns 2,3,5-Trimethylpyrazine Cc1cnc(C)c(C)n1 Tox21_302314 -NCGC00256145-01 196700683 tox21-ror-cho-viability-p1 set1 4 1.83212919 0.57671004 0.64344777 3.29821296 5.70086135 1.64798451 -1.51485922 1.29367015 2.03092415 1.7779677 0.34541689 1.69684206 -0.49238126 1.13334119 2.43510134 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 335104-84-2 11556911 144212699 A A Tembotrione O=C2CCCC(=O)C2C(=O)c1ccc(c(COCC(F)(F)F)c1Cl)S(C)(=O)=O Tox21_302382 -NCGC00256127-01 196700687 tox21-ror-cho-viability-p1 set1 4 0.28909528 -0.33000634 1.46724382 -0.02175446 0.09533156 -0.65551937 1.53951164 -4.85849294 0.72276484 0.66630043 1.04524761 2.61402635 1.51412751 2.85237992 0.01141678 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1466-76-8 15109 144212315 A A 2,6-Dimethoxybenzoic acid COc1cccc(OC)c1C(=O)O Tox21_301998 -NCGC00164510-02 196697725 tox21-ror-cho-viability-p1 set1 4 -2.29459384 -0.74578281 -2.90174067 0.27098136 -0.27902503 -5.1184077 -4.88396411 1.30662647 -6.78877213 1.09715886 -0.48795691 -2.50440199 -5.42081305 -2.26921849 -2.8506369 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6961-46-2 1550874 170466602 Fc Idrocilamide OCCNC(=O)/C=C/c1ccccc1 Tox21_112145_1 -NCGC00183837-01 196698130 tox21-ror-cho-viability-p1 set1 -2.2 26.6032120037 -37.49756154 -1 -38.49756154 3.1319983358 0.9751102065 1.68E-7 -0.31855622 -1.98655214 -0.87772293 0.42713307 0.33773595 -1.29087944 -4.13252006 -2.36177419 -2.7085055 -0.75368221 -1.20688757 0.82349986 -1.16985786 -13.21109833 -32.49796795 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103377-41-9 60810 144206839 A A Monatepil Fc1ccc(cc1)N2CCN(CC2)CCCC(=O)NC3c5ccccc5SCc4ccccc34 Tox21_113288 -NCGC00015861-09 196698142 tox21-ror-cho-viability-p1 set1 4 -3.88959714 -0.06312527 -0.50041634 1.9640035 2.55908356 -2.87394806 0.2688288 0.28018029 -1.24632566 -0.57102404 3.4023087 0.65607177 0.31961002 0.6576675 0.95569102 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55242-55-2 4938 170465624 A Propentofylline CC(=O)CCCCN2C(=O)c1n(cnc1N(C)C2=O)CCC Tox21_110247_1 -NCGC00015279-08 196698552 tox21-ror-cho-viability-p1 set1 4 0.813177 0.88301862 -0.27740682 1.01304629 2.42866304 1.02796587 0.33143182 1.65852208 0.36106776 0.96213015 1.18492936 0.79211129 0.89901646 0.39977892 0.46706666 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3685-84-5 19379 170465815 A Meclofenoxate hydrochloride Cl.Clc1ccc(OCC(=O)OCCN(C)C)cc1 Tox21_110123_1 -NCGC00094748-07 196698553 tox21-ror-cho-viability-p1 set1 -2.2 9.4391758155 -43.4861275056 -1.5636902899 -45.0498177955 4.4494702849 0.9564436422 0.0000102578 1.60929383 0.78494311 -5.99578278 -4.85646049 -5.18646908 0.43711145 0.73265308 -1.04952596 -0.75738718 0.20811083 -4.39513813 -0.09763473 -21.4343974 -44.02760907 18.42924426 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 129-20-4 4641 170465310 A Oxyphenbutazone Oc1ccc(cc1)N3C(=O)C(CCCC)C(=O)N3c2ccccc2 Tox21_110414_1 -NCGC00254004-01 196698959 tox21-ror-cho-viability-p1 set1 -2.2 24.3365162115 -44.9387042982 0.7156050349 -44.2230992633 1.5385888099 0.959256653 0.0000027173 0.59793615 2.51679272 4.48796998 1.21150415 -3.11623633 0.48352402 -3.41645588 4.33168817 0.26475464 -0.11068072 0.64583496 -8.71146428 -16.29164164 -27.15131567 -43.35597967 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1260-17-9 10255083 144210614 A A Carminic acid O[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)c4c(O)c3C(=O)c2c(C)c(C(=O)O)c(O)cc2C(=O)c3c(O)c4O Tox21_300294 -NCGC00254093-01 196698963 tox21-ror-cho-viability-p1 set1 4 0.24383281 2.09106507 0.48783912 -0.54320978 1.04530098 0.09231588 5.48659876 0.19303316 -0.13113076 2.81851015 0.37945806 1.98224739 6.08441657 6.69063647 4.73620787 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68-12-2 6228 144210359 AC Ac N,N-Dimethylformamide CN(C)C=O Tox21_300039 -NCGC00254445-01 196698966 tox21-ror-cho-viability-p1 set1 4 1.86890079 -2.37573256 -3.82214651 0.11801283 -0.00326393 -2.84337131 0.37666731 -3.13852739 -0.02711879 0.28411421 -0.25649025 -2.6649651 0.4512163 0.41462102 0.39261703 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 194098-25-4 9839190 144210758 A A CP-409092 CNCc1ccc(cc1)NC(=O)c3cnc2CCCC(=O)c23 Tox21_300440 -NCGC00254686-01 196698979 tox21-ror-cho-viability-p1 set1 -2.2 54.4826732819 -58.6132461983 0.749333118 -57.8639130803 3.5117481694 0.9930637157 1E-10 -0.39977787 0.68443708 2.17542995 0.79790896 2.43312614 1.13275267 -0.03248555 -0.6781531 2.98855285 0.90474795 0.92824754 -0.51239879 0.4854109 -16.25608044 -49.51811597 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1031-07-8 13940 144211099 A A Endosulfan sulfate ClC2=C(Cl)C3(Cl)C1COS(=O)(=O)OCC1C2(Cl)C3(Cl)Cl Tox21_300782 -NCGC00254984-01 196699373 tox21-ror-cho-viability-p1 set1 4 3.36232308 -0.26550526 6.15657492 4.32892764 -0.84358565 2.5805914 2.95839635 0.48614603 2.60020153 -0.69852679 3.96651745 4.06455333 5.5661576 6.69916214 3.39707455 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24157-81-1 32241 144211400 A Fc 2,6-Diisopropylnaphthalene CC(C)c1ccc2cc(ccc2c1)C(C)C Tox21_301083 -NCGC00254166-01 196699378 tox21-ror-cho-viability-p1 set1 4 2.0343302 2.04005711 2.79702984 2.96789094 3.52871994 -1.14312631 3.17188469 -1.45843665 0.22975526 -1.5195338 -9.50942894 -1.42753903 1.3339312 3.60042573 -0.77944671 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-43-3 6641 144210389 A A Dicumyl peroxide CC(C)(OOC(C)(C)c1ccccc1)c2ccccc2 Tox21_300069 -NCGC00357281-01 196724412 tox21-ror-cho-viability-p1 set3 4 24.3365162115 -15.7684700919 0 -15.7684700919 4.9549173134 0.7236702144 0.0284466743 -3.75698194 -2.22763679 -4.18541689 -2.60596706 5.75862555 -0.43646055 -0.26151068 2.65366691 2.05192952 -3.75701433 0.91208869 3.20429054 -2.1361066 -18.55705841 -11.92682247 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3424-82-6 246598 251919667 A o,p'-DDE Clc2ccccc2\C(=C(/Cl)Cl)c1ccc(Cl)cc1 Tox21_304022 -NCGC00260288-01 196724414 tox21-ror-cho-viability-p1 set3 4 -7.36930274 3.43914466 -0.61363821 -4.48941455 0.65834949 2.55092062 -9.11468885 3.10656223 2.52784879 3.59572755 0.11792836 1.13346838 -1.16812015 1.99449761 2.88572621 6.565E-11 1.4679999999E-10 3.283E-10 7.3399999999E-10 1.641E-9 3.67E-9 8.2059999999E-9 1.835E-8 4.103E-8 9.175E-8 2.0519999999E-7 4.5879999999E-7 0.000001026 0.000002294 0.0000051289999999 127-08-2 517044 144209938 A Potassium acetate [K+].[O-]C(C)=O Tox21_202740 -NCGC00164168-02 196724415 tox21-ror-cho-viability-p1 set3 4 6.4440023778 -13.6241635359 -1.5 -15.1241635359 1.4641 0.8233323634 0.0047058944 -4.98301932 -2.22039938 -1.81050758 -2.9423465 2.06251794 -2.54034456 1.11458672 3.09793944 -4.21712862 -4.22767637 -3.56052913 -12.2491445 -10.78898318 -16.77013628 -13.99655644 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.000096319999999 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00260151-01 196724418 tox21-ror-cho-viability-p1 set3 -3 68.6593799697 -70.5198163069 -0.534791842 -71.0546081489 4.5044702849 0.8733810232 0.0010192001 0.19544454 7.34002879 2.11227885 -9.25397369 7.97279685 -4.91518828 8.95537227 -4.12209942 -5.05906648 -5.64754051 -5.30607676 -2.23027889 1.95097235 -6.8554833 -56.39254615 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.00004125 0.000092249999999 84449-90-1 5035 144209801 A A Raloxifene Oc1ccc(cc1)c3sc2cc(O)ccc2c3C(=O)c5ccc(OCCN4CCCCC4)cc5 Tox21_202603 -NCGC00260376-01 196724837 tox21-ror-cho-viability-p1 set3 4 0.0039120572 15.659110296 -14.659110296 1 1.0999999999 0.7004428068 0.0381679564 -13.04925858 -6.97456137 -4.03622122 -2.59123085 -1.81113264 -1.9563105 3.94409002 3.56906082 -3.04595374 0.06062551 4.84081968 -2.66020873 1.5248784 -1.67926803 4.44776786 1.194E-9 2.6689999999E-9 5.969E-9 1.335E-8 2.985E-8 6.6739999999E-8 1.4919999999E-7 3.337E-7 7.4609999999E-7 0.000001668 0.0000037309999999 0.000008342 0.00001865 0.00004171 0.000093269999999 3934-20-1 77531 144210028 Z F Pyrimidine,2,4-dichloro- Clc1ccnc(Cl)n1 Tox21_202830 -NCGC00357079-01 196724846 tox21-ror-cho-viability-p1 set3 4 0.0021689943 13.91589078 -14.41589078 -0.5 2.4063783767 0.7010419459 0.0381610689 -11.59657565 -5.86775084 -1.72949188 -0.31439197 -1.30560878 -1.04647521 -0.89226051 -4.71191536 -1.81107704 1.57685511 0.68359997 0.17610811 -2.06793465 0.89548029 4.74236307 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-31-7 7746 251919843 A Hex-1-yn-3-ol C#CC(O)CCC Tox21_303791 -NCGC00255811-01 196729049 tox21-ror-cho-viability-p1 set3 -2.1 54.4826732819 -102.4608325547 0.7636754859 -101.6971570688 2.5334283767 0.9969275894 0 1.0438167 1.21766903 2.03311005 -0.18780624 -0.89430891 -0.2608708 2.2896413 0.97522388 1.69621138 2.05527652 2.23328022 -2.64974963 -5.10966676 -33.40970933 -80.07360384 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4422-95-1 78138 144212497 F F 1,3,5-Benzenetricarbonyl trichloride O=C(Cl)c1cc(cc(c1)C(Cl)=O)C(Cl)=O Tox21_302180 -NCGC00256306-01 196728642 tox21-ror-cho-viability-p1 set3 4 0.0611305649 -5.5598991719 3 -2.5598991719 4.9549173134 0.4139276326 0.2770535355 3.549861 -0.2182401 -1.21792929 4.76789187 6.97963719 -0.33540698 -4.1066827 -7.13324931 -1.31218252 0.40606347 -3.25490427 -2.94557465 3.1023631 -4.70086615 4.99730965 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84962-98-1 4385787 144212106 Fns Sodium 3-(trihydroxysilyl)propyl methylphosphonate [Na+].O[Si](O)(O)CCCOP([O-])(C)=O Tox21_301789 -NCGC00255335-01 196728651 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -42.460542508 1.394260263 -41.066282245 4.9549173134 0.8767500511 0.0008980375 2.13077163 0.86806387 0.01866352 4.57336319 -2.11451925 -4.55858998 4.31043937 8.81434265 4.28191047 -2.3230789 -0.70736819 0.31144963 2.08766667 0.27394465 -33.30045209 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17230-88-5 28417 144212257 A A Danazol C#C[C@]3(O)CC[C@H]2[C@@H]4CCC1=Cc5oncc5C[C@]1(C)[C@H]4CC[C@@]23C Tox21_301940 -NCGC00255266-01 196709998 tox21-ror-cho-viability-p1 set2 -2.2 48.5577336745 -46.8096199702 2.3107381375 -44.4988818327 3.0654483358 0.9722412775 3.127E-7 0.16549997 5.14972071 5.13257886 -0.39544728 2.58148267 2.25886263 1.78128313 2.56235843 1.76763171 3.70217558 -1.27662384 0.59465267 1.95778934 -15.78414374 -38.63551654 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21739-91-3 23665583 144212206 A A Cytembena [Na+].COc1ccc(cc1)C(=O)C(/Br)=C\C([O-])=O Tox21_301889 -NCGC00255852-01 196710398 tox21-ror-cho-viability-p1 set2 -1.1 1.0546387533 -70.758904944 -0.009315004 -70.768219948 0.9999999999 0.9851733761 8.3E-9 -10.30701551 1.85350071 2.05085184 -0.2372129 1.26871004 0.29283998 -6.46820127 -14.48878326 -26.77584488 -42.02879824 -50.53601548 -57.96099386 -63.67953661 -68.83017541 -73.0422982 9.497E-10 2.124E-9 4.748E-9 1.0619999999E-8 2.374E-8 5.3089999999E-8 1.187E-7 2.654E-7 5.935E-7 0.000001327 0.000002968 0.000006636 0.000014839999999 0.00003318 0.000074189999999 76-60-8 6451 144212422 A Bromcresol green Brc1cc(c(C)c(Br)c1O)C3(OS(=O)(=O)c2ccccc23)c4cc(Br)c(O)c(Br)c4C Tox21_302105 -NCGC00256135-01 196710415 tox21-ror-cho-viability-p1 set2 4 -3.13837763 4.56688002 2.05036136 0.27497926 3.46812379 5.48027915 -0.44765487 0.17845491 -0.24556539 1.20300114 1.4725466 -0.13396676 0.05816257 1.63172156 3.10919607 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 14667-55-1 26808 144212631 F Fns 2,3,5-Trimethylpyrazine Cc1cnc(C)c(C)n1 Tox21_302314 -NCGC00255282-01 196710817 tox21-ror-cho-viability-p1 set2 4 2.59804008 4.12948822 2.87382129 3.67622756 4.62371551 1.53858929 -0.89610673 -0.35514852 0.50391672 2.16352405 1.03494009 -0.72082746 0.12339871 -1.0163763 3.27169351 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2008-58-4 16183 144212239 A B 2,6-Dichlorobenzamide O=C(N)c1c(Cl)cccc1Cl Tox21_301922 -NCGC00357287-01 196711235 tox21-ror-cho-viability-p1 set2 2.4 0.5448267328 30.602100244 -6.602100244 24 0.2 0.7592548624 0.0168902246 -0.43229774 -2.16841687 0.58134827 6.53486935 2.04642643 9.06661591 6.11350257 10.20484215 11.39943753 12.00046273 9.48606788 8.94114013 9.32798605 14.95827078 22.04672071 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-75-0 24723 251919666 A Demeton-S CCOP(=O)(OCC)SCCSCC Tox21_303989 -NCGC00091650-03 196711240 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -21.752677092 2 -19.752677092 4.9549173134 0.6651219396 0.055674552 -0.27067469 -0.6567069 3.26695203 -1.81120471 2.98442791 -1.05550743 -1.44054158 -0.3392224 -0.44498231 2.63801977 6.69451047 8.85902426 5.30223384 0.53316354 -15.62723091 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00258225-01 196711245 tox21-ror-cho-viability-p1 set2 -2.4 15.2772589502 -23.0275496479 -1.5 -24.5275496479 1.9673362061 0.7425053998 0.0217909815 -2.21986732 -0.71002515 -1.51542383 -7.58087756 -0.10639277 -0.99780443 -6.14262452 -1.23333947 -0.28403663 -1.09776278 -0.49340128 0.06551457 -24.02653749 -12.93102374 -27.52295804 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003673 0.0000082119999999 0.000018359999999 0.00004106 0.000091819999999 4252-78-2 20250 144207869 D 2,2',4'-Trichloroacetophenone O=C(CCl)c1ccc(Cl)cc1Cl Tox21_200671 -NCGC00091426-02 196711652 tox21-ror-cho-viability-p1 set2 -2.4 30.6378586933 -27.6360401319 1.5 -26.1360401319 4.9549173134 0.9763065077 1.266E-7 0.7616506 -1.15087831 1.06498401 2.05774689 1.94089098 2.75839727 0.87111879 2.84044484 1.94618093 0.42431103 2.05040048 0.0400467 2.02322651 -20.48031458 -28.44670011 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00260021-01 196711660 tox21-ror-cho-viability-p1 set2 2.4 48.9530469877 22.771786828 1.228213172 24 0.7 0.848210423 0.0024010279 0.74366017 0.011331 1.7961065 1.80847584 -1.89315569 2.29353426 2.25550814 1.89623147 3.60715482 5.89586373 2.97123991 8.48382391 6.74457821 9.25506212 18.62057085 1.188E-9 2.656E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.641E-8 1.4849999999E-7 3.321E-7 7.425E-7 0.0000016599999999 0.000003712 0.0000083009999999 0.00001856 0.000041509999999 0.00009281 625-86-5 12266 144209670 Fns 2,5-Dimethylfuran Cc1ccc(C)o1 Tox21_202472 -NCGC00258955-01 196706285 tox21-ror-cho-viability-p1 set1 -2.1 53.98439941 -107.2882523747 0.5889185699 -106.6993338048 1.752947691 0.968149054 6.812E-7 2.16409715 -2.84801744 -1.96746137 -2.42172064 -0.27223869 0.41739997 1.68937329 3.07367787 0.53094699 8.27798566 1.27577428 -8.10990045 -17.79875179 -32.90192804 -80.83282864 1.171E-9 2.617E-9 5.8529999999E-9 1.3089999999E-8 2.926E-8 6.543E-8 1.463E-7 3.2719999999E-7 7.316E-7 0.0000016359999999 0.000003658 0.0000081789999999 0.00001829 0.0000409 0.00009145 55-56-1 9552079 144208602 A A Chlorhexidine Clc2ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)cc2 Tox21_201404 -NCGC00259823-01 196705857 tox21-ror-cho-viability-p1 set1 4 6.44860169 9.64261542 0.17991166 2.92037654 0.52555502 1.53047558 1.31170816 3.87003346 -0.06969159 -9.62654841 2.4621887 0.11157824 5.06831652 2.40228343 1.87549802 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.569E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003672 0.0000082119999999 0.000018359999999 0.00004106 0.00009181 2416-94-6 17016 144209472 A A 2,3,6-Trimethylphenol Cc1ccc(C)c(O)c1C Tox21_202274 -NCGC00258947-01 196705866 tox21-ror-cho-viability-p1 set1 4 7.36085821 2.57806636 0.88919665 -1.30955394 7.58574061 1.2544744 -0.46625931 3.11489445 0.48478947 15.86835241 -1.39038131 -0.04529609 1.15308009 1.74792646 4.11349539 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.571E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008214 0.00001837 0.00004107 0.00009184 6375-47-9 80779 144208594 A A N-(3-Amino-4-methoxyphenyl)acetamide Nc1cc(ccc1OC)NC(C)=O Tox21_201396 -NCGC00257566-01 196702754 tox21-ror-cho-viability-p1 set1 4 13.6436872452 7.669657904 -1.669657904 6 3.0654483358 0.5402803148 0.1448707849 0.2416094 -0.42595741 -3.09243409 -2.85132793 -0.69093889 -5.97471492 4.9282927 -0.68429692 -0.29966796 -4.11588004 -1.56720683 -2.49178571 6.10140279 4.40077135 6.22352982 1.177E-9 2.631E-9 5.884E-9 1.316E-8 2.942E-8 6.578E-8 1.471E-7 3.289E-7 7.354E-7 0.000001645 0.0000036769999999 0.000008223 0.00001839 0.00004111 0.00009193 124-10-7 31284 144207210 AC Fns Methyl tetradecanoate O=C(CCCCCCCCCCCCC)OC Tox21_200012 -NCGC00258277-01 196701924 tox21-ror-cho-viability-p1 set1 4 -3.32799648 0.60962862 3.43884254 -0.67744092 0.22451717 -4.69456597 -0.48522699 -0.295728 0.09986582 -5.23766705 5.86600713 -3.98332543 0.61413295 0.56406499 -0.3391487 1.2319999999E-9 2.755E-9 6.161E-9 1.378E-8 3.08E-8 6.8879999999E-8 1.54E-7 3.444E-7 7.7009999999E-7 0.000001722 0.000003851 0.0000086099999999 0.00001925 0.000043049999999 0.00009626 592-41-6 11597 144207921 FNS 1-Hexene C=CCCCC Tox21_200723 -NCGC00258581-01 196701934 tox21-ror-cho-viability-p1 set1 -1.1 8.6173622229 -84.2808618616 -3.7689220989 -88.0497839605 3.0654483358 0.9827177988 2.04E-8 -0.70987145 -6.00077136 -11.01069489 0.20968327 -4.73117173 0.28585168 -12.33851948 -4.40018368 -0.05971649 0.85511452 -11.95087424 -39.94081556 -86.83410647 -86.19002461 -84.8431539 1.1779999999E-9 2.633E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.00000368 0.00000823 0.000018399999999 0.00004115 0.00009201 14866-33-2 2734117 144208226 A A Tetra-N-octylammonium bromide [Br-].CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC Tox21_201028 -NCGC00258134-01 196702354 tox21-ror-cho-viability-p1 set1 4 1.61901002 -0.90141992 0.89750536 2.04254262 1.29830386 2.58515781 0.04959599 -0.00466721 0.87498011 0.21202968 0.47349722 1.55029406 -1.16021464 1.21836196 4.06665063 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.00004119 0.000092099999999 30781-73-8 13379149 144207778 Dimethylammonium nitrate CNC.[O-][N+](=O)O Tox21_200580 -NCGC00258731-01 196702755 tox21-ror-cho-viability-p1 set1 4 -0.89674876 0.11230894 4.56782756 4.1910361 2.4783184 -0.39146401 5.51621782 3.14267191 3.4837643 2.61626439 1.08168616 -1.78089969 0.78420058 0.7977019 2.95816925 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.629E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008287 0.00001853 0.000041429999999 0.00009265 108-30-5 7922 144208377 A B Succinic anhydride O=C1CCC(=O)O1 Tox21_201179 -NCGC00091483-03 196702768 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -16.016969768 1 -15.016969768 4.5044702849 0.9172656885 0.0001265649 2.92270519 1.52228771 1.27791771 0.15438096 -0.10267545 1.54199574 2.53653347 2.43304563 1.12329959 0.28378702 -0.15603588 -0.04416157 0.60386801 -0.43965219 -11.68080814 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00258512-01 196702774 tox21-ror-cho-viability-p1 set1 4 -9.40763568 -7.90947743 -0.59250169 -1.43685473 -11.68687104 -2.36632783 -9.87337282 -12.9749801 -0.80580872 -10.62813681 -11.79457202 -11.07917334 -14.3279835 -11.70828358 -9.00158052 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 90-41-5 7015 144208157 A A 2-Biphenylamine Nc2ccccc2c1ccccc1 Tox21_200959 -NCGC00357050-01 196703172 tox21-ror-cho-viability-p1 set1 4 -3.29947962 -1.5841163 -3.47435977 -7.57035714 -3.98021399 -5.42504661 1.97346511 1.32933118 -2.14925746 -14.56705494 -1.52897618 -2.74711625 -6.81826667 -8.7315678 -1.58498818 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1678-91-7 15504 251919878 Fns Ethylcyclohexane CCC1CCCCC1 Tox21_303745 -NCGC00260435-01 196703183 tox21-ror-cho-viability-p1 set1 4 -0.57373864 1.51018954 7.09257343 8.46578875 0.68801536 2.05032543 9.21920763 10.11019615 -0.73594557 0.26014512 9.6624361 0.5504084 0.90684036 6.04874208 0.93715049 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.954E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3839999999E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.0000923 1271-24-5 79154 144210087 Fns Bis(eta(5)-2,4-cyclopentadien-1-yl) chromium [Cr+2].[c-]1cccc1.c1[c-]ccc1 Tox21_202889 -NCGC00254827-01 196699873 tox21-ror-cho-viability-p1 set1 4 -4.89230187 -6.51300558 -8.32441138 -5.51070227 -6.99574576 -1.33581275 0.53172262 -2.0110505 -4.11893182 -6.12110949 -5.84491759 -3.53128503 -3.15116907 -5.43537698 -5.06225667 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 76738-62-0 616765 144211242 A A Paclobutrazol OC(C(Cc1ccc(Cl)cc1)n2cncn2)C(C)(C)C Tox21_300925 -NCGC00015675-08 196699465 tox21-ror-cho-viability-p1 set1 4 0.62646616 0.5609976 -0.69727712 1.66311923 1.22791432 -6.49972141 -1.12251332 -0.6209501 1.48274317 -5.44864353 2.03830276 1.19376493 -6.47312945 -0.34653995 1.17352147 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00254738-01 196699866 tox21-ror-cho-viability-p1 set1 4 3.016411 -3.73339541 -10.31680091 -2.8736851 -0.44210794 -1.8928632 0.35082522 0.67676624 -0.41284946 1.90832021 -3.76932992 2.11367341 0.10687271 0.37272069 5.26395317 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117337-19-6 93542 144211151 A A Fluthiacet-methyl O=C(OC)CSc3cc(/N=C1\SC(=O)N2CCCCN12)c(F)cc3Cl Tox21_300834 -NCGC00255003-01 196699868 tox21-ror-cho-viability-p1 set1 4 27.3060203028 9.609602084 -1.109602084 8.5 4.0949729863 0.7762960589 0.0128436173 -0.06175842 -5.09133507 -3.42563009 -0.93674344 -2.67870539 0.78608723 -0.44120767 1.23739624 -1.30455217 0.27189802 -1.26819698 -0.99366712 1.25655636 5.99405978 8.95263095 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1634-78-2 15415 144211420 Ac Fc Malaoxon COP(=O)(OC)SC(CC(=O)OCC)C(=O)OCC Tox21_301103 -NCGC00091205-03 196700207 tox21-ror-cho-viability-p1 set1 4 -3.48399512 1.60157282 -0.14980839 1.18052404 -3.09641082 -4.46612014 -1.88168545 -2.67340568 -1.34983808 -1.57404245 -2.60636917 0.24698114 -2.5500714 -4.18480994 -4.88047033 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00255102-01 196699794 tox21-ror-cho-viability-p1 set1 -3 69.008347349 -47.2979277228 -2.124926892 -49.4228546148 4.9549173134 0.9452264033 0.0000138503 0.03131178 -6.97193087 -0.3267916 -3.2896329 -2.45136279 -5.11574627 -1.0697331 -5.60075413 -1.39766944 0.83430494 -1.59745604 -4.54443275 0.2233818 -4.42789085 -40.41496398 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 106-71-8 7825 144211522 A A 2-Cyanoethyl prop-2-enoate C=CC(=O)OCCC#N Tox21_301205 -NCGC00090702-02 196699797 tox21-ror-cho-viability-p1 set1 4 -0.96316459 3.26105312 -0.20924026 -1.4863347 1.18376556 0.80965858 3.23137799 -0.58786636 -0.99874692 1.57448714 2.98178086 1.20896711 -0.32734768 -1.60269601 1.1208051 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00254205-01 196699809 tox21-ror-cho-viability-p1 set1 4 68.5896218971 7.0734123639 -0.5734123639 6.5 4.0949729863 0.3289755353 0.3473610091 0.36115811 0.23785627 -0.32679513 -6.31117697 -0.0267552 0.31867657 0.83095044 -2.42400004 0.82120881 -0.23581094 0.21718772 2.19843283 -0.13609092 0.19738945 4.83277767 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1929-77-7 16003 144210493 A A Vernolate O=C(SCCC)N(CCC)CCC Tox21_300173 -NCGC00255749-01 196700206 tox21-ror-cho-viability-p1 set1 4 -3.98878335 -3.54941787 -2.47908062 -3.8849108 -1.6474652 -3.72404133 1.18517736 -2.98758078 -1.93424164 0.27665644 -5.71258228 -2.80130038 2.18227934 -1.51110853 2.60681052 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 657-84-1 3720192 144211697 A Sodium 4-methylbenzenesulfonate [Na+].Cc1ccc(cc1)S(=O)([O-])=O Tox21_301380 -NCGC00244580-01 196700215 tox21-ror-cho-viability-p1 set1 4 10.8707224818 -6.7226870879 0 -6.7226870879 3.9899729863 0.4365558532 0.2383882001 0.23605714 -0.71291184 -4.4346443 0.65992831 -0.26466437 1.11018975 -4.29485034 4.35707307 -0.09398586 2.42137815 1.46149288 -0.03358555 -10.60223924 -0.65982079 -9.05330692 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00255263-01 196700224 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -10.8389363 1 -9.8389363 4.9549173134 0.5321044116 0.1530503259 1.41604461 -0.68892835 -0.71404614 -0.99207183 0.53351182 5.65725727 0.19773661 -0.08916722 1.86622193 4.56144451 -1.12374145 2.29106145 0.24001185 2.44335745 -7.36578025 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1559-34-8 73791 144211659 A A 3,6,9,12-Tetraoxahexadecan-1-ol OCCOCCOCCOCCOCCCC Tox21_301342 -NCGC00255417-01 196700226 tox21-ror-cho-viability-p1 set1 4 -5.49717996 -1.38858268 -5.88103915 -3.9144341 -5.07659454 -3.56266098 -3.49049127 -2.03388314 -7.07966642 -6.74707475 2.83049658 2.42596616 -1.50351766 2.57534357 -5.37427803 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 611-20-1 11907 144212427 A A 2-Hydroxybenzonitrile N#Cc1ccccc1O Tox21_302110 -NCGC00260603-01 196723888 tox21-ror-cho-viability-p1 set3 4 13.3331902297 15.8644055079 -3.8644055079 12 0.4999999999 0.5933718006 0.1023296682 -8.63700459 0.55359074 -2.65142841 -6.33469041 -2.49332259 -5.903014 2.55066064 0.36980039 -3.42772677 -2.82957948 0.68129552 0.46089997 5.59351767 2.60761708 8.4029816 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49499 144210256 M M NTP Mix6 AR1 8-EQC Tox21_203058 -NCGC00181300-01 196723477 tox21-ror-cho-viability-p1 set3 4 0.5308038637 4.597773604 -0.597773604 4 4.4494702849 0.4428835466 0.2329848783 1.20742391 0.20678969 -1.1704555 1.63135233 -2.09145733 -0.98973031 -1.01865287 -0.23798785 -5.49814467 9.14635024 0.70090026 1.97214628 4.89940995 2.19776736 6.96580153 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 752-56-7 92140 144206329 A A Riboflavin tetrabutyrate CCCC(=O)OC[C@@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@@H](OC(=O)CCC)CN2C3=NC(=O)NC(=O)C3=Nc1cc(C)c(C)cc12 Tox21_112776 -NCGC00247732-01 196723480 tox21-ror-cho-viability-p1 set3 4 0.3786581892 7.8402220239 -1.8402220239 6 4.9549173134 0.6479367412 0.0774837391 0 -10.70018502 0 0 0 -3.53686127 0 0 7.02761044 8.48303483 5.3011374 4.27089908 4.67612276 5.66156322 -2.09546559 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 520-52-5 10624 144206451 A A Psilocybin O=P(O)(O)Oc2cccc1ncc(CCN(C)C)c12 Tox21_112898 -NCGC00016876-12 196725657 tox21-ror-cho-viability-p1 set3 4 -0.67513991 0.7783259 -0.47329899 2.98125491 0.45874788 5.30472108 2.41001654 7.89563539 5.74525085 8.38113267 2.57697193 -0.62847428 -0.79501615 7.79103115 1.86543055 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54965-21-8 2082 170464897 A Albendazole O=C(OC)Nc1nc2cc(ccc2n1)SCCC Tox21_110659_1 -NCGC00183020-01 196725257 tox21-ror-cho-viability-p1 set3 4 29.8492948118 -23.352474528 3.5 -19.852474528 4.5044702849 0.7457361912 0.0208502608 2.59565984 1.80547504 0.63118176 1.97292962 -1.58209636 4.58479824 7.20684557 -0.02593214 11.16460209 2.70368832 3.66252886 6.08740377 4.16689204 -0.50186999 -16.96039544 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 128420-61-1 130990 144206826 A A Minopafant [Cl-].COc1ccccc1C(=O)N(Cc2cccc[n+]2CC)C(=O)OC[C@@H](COC(=O)N3CCC(CC3)OC(=O)NCCCCCCCCCCCCCCCCCC)OC Tox21_113275 -NCGC00164283-07 196725260 tox21-ror-cho-viability-p1 set3 -2.1 29.8492948118 -68.4907046549 -1.870943965 -70.3616486199 4.0949729863 0.9582491049 0.0000031109 -2.68417693 -6.81210783 -0.02130898 -3.31332617 -6.22659171 -1.6999207 3.4080658 1.11649722 -0.69730615 -3.9591124 2.47613369 1.34249969 -6.87945789 -14.4904271 -60.30137385 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-09-0 5974 170465714 F Hexadecyltrimethylammonium bromide [Br-].C[N+](C)(C)CCCCCCCCCCCCCCCC Tox21_112096_1 -NCGC00183025-01 196725262 tox21-ror-cho-viability-p1 set3 4 -0.31145923 1.31408509 -0.43846224 1.65244509 2.99968543 1.799869 3.36949151 2.70621945 1.89911794 2.1897057 -0.80915279 -0.48309242 2.35528581 -1.12439225 -0.63708152 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51022-74-3 3740 144206809 F A Biliscopin O=C(Nc1c(I)c(c(I)cc1I)C(=O)O)COCCOCCOCC(=O)Nc2c(I)c(C(=O)O)c(I)cc2I Tox21_113258 -NCGC00167832-06 196725658 tox21-ror-cho-viability-p1 set3 -2.4 26.6032120037 -33.6502281239 0.5 -33.1502281239 1.5385888099 0.8485308093 0.0023622044 2.79671635 1.65283502 6.86892826 0.91953391 1.52240785 -0.01201276 -0.24470425 -5.24718479 -2.73349823 -0.97334328 -2.0627984 -1.05012796 -6.87732109 -10.13880182 -24.29185677 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_45916 16667700 170465440 A Carvedilol tartrate O=C(O)C(O)C(O)C(=O)O.COc4ccccc4OCCNCC(O)COc2cccc3nc1ccccc1c23 Tox21_111431_1 -NCGC00021222-06 196725661 tox21-ror-cho-viability-p1 set3 4 0.0530803864 5.184360192 0.315639808 5.5 3.2974983358 0.5541667638 0.1339308643 0.35679847 1.30404064 -0.66257271 1.54118286 -1.82030016 1.87951864 3.73708025 5.3124713 9.00086245 5.37833686 7.28889578 2.35060515 8.66407487 1.02884772 3.60556111 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 152-58-9 440707 170466572 A Cortodoxone OCC(=O)[C@@]3(O)CC[C@H]2[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_110867_1 -NCGC00257798-01 196730313 tox21-ror-cho-viability-p1 set3 4 -2.94486955 0.67706271 -0.94334761 -2.63663402 0.55418644 5.81103279 3.57073744 5.4122542 4.34320844 5.14248445 0.7873499 3.64764466 0.75956769 5.92066969 1.29257795 1.194E-9 2.6689999999E-9 5.969E-9 1.335E-8 2.985E-8 6.6739999999E-8 1.4919999999E-7 3.337E-7 7.4609999999E-7 0.000001668 0.0000037309999999 0.000008342 0.00001865 0.00004171 0.000093269999999 120-92-3 8452 144207442 AC F Cyclopentanone O=C1CCCC1 Tox21_200244 -NCGC00257364-01 196707533 tox21-ror-cho-viability-p1 set1 4 4.3277125691 6.5196119479 -0.5196119479 6 4.9549173134 0.413547633 0.2599325027 1.84461793 0.8359058 -0.14578599 1.17353439 1.95395212 -1.37099768 2.73117824 -10.01634329 2.50945956 -6.45508245 1.57467134 6.76860001 5.05590873 4.44005721 6.77038659 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 462-08-8 10009 144213761 A A 3-Pyridinamine Nc1cccnc1 Tox21_303451 -NCGC00091830-04 196713319 tox21-ror-cho-viability-p1 set2 4 1.67316724 0.78100366 4.4903457 1.85890551 0.47384408 -1.30822391 -1.79768885 0.2758891 -1.2962398 2.7702523 3.49398414 -1.98287328 0.77603166 1.58064934 3.0963141 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00256510-01 196707928 tox21-ror-cho-viability-p1 set1 4 76.9588215421 12.506875192 1.493124808 14 4.9549173134 0.5576155807 0.1312967337 0.11538824 1.66751988 -3.33906266 0.88496845 0.06230494 2.65386351 2.31307201 5.0266746 3.77119261 0.18812208 1.02886576 -0.32880736 4.57843551 1.31145204 10.59651575 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 622-97-9 12161 144213068 Fns 4-Methylstyrene Cc1ccc(C=C)cc1 Tox21_302751 -NCGC00257094-01 196707528 tox21-ror-cho-viability-p1 set1 4 1.78004241 0.5726661 1.68247495 -10.47761258 0.68914636 -0.06930248 1.31850142 3.39321093 -11.51003897 3.04357635 1.19499684 -0.32381008 3.21523559 2.93428543 6.97306869 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 583-39-1 707035 144213591 A A 2-Mercaptobenzimidazole S=C1Nc2ccccc2N1 Tox21_303274 -NCGC00018221-08 196707926 tox21-ror-cho-viability-p1 set1 4 1.87311838 -0.1724495 2.1600701 0.72866214 1.44241518 1.97814114 1.73975336 9.84905774 1.40668497 3.65228715 1.7666395 5.693331 0.50007473 1.06407273 -0.93698801 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.331E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00256591-01 196707929 tox21-ror-cho-viability-p1 set1 4 -1.26649364 3.37249938 0.89262619 2.76288545 -1.6311327 0.23506116 2.31243885 4.62065259 -0.49385796 -1.62366701 6.78457701 4.4511301 -0.76786556 2.58115531 4.84069124 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3165-93-3 18487 144213237 A A 4-Chloro-2-methylaniline hydrochloride Cl.Cc1cc(Cl)ccc1N Tox21_302920 -NCGC00257420-01 196707930 tox21-ror-cho-viability-p1 set1 4 15.3553036427 -30.9958339599 -2.259581328 -33.2554152879 0.2 0.5011707199 0.1773965731 -7.61855749 -0.63298444 -8.52968994 -5.94704625 -12.11591197 -15.44147348 -10.88176118 -11.23054302 -20.60146181 -15.78700421 -10.85398194 -11.36746653 -12.54840705 -16.81361758 -29.37951274 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-40-5 1752 144213950 A A 4-Nonylphenol Oc1ccc(CCCCCCCCC)cc1 Tox21_303647 -NCGC00256556-01 196707932 tox21-ror-cho-viability-p1 set1 4 5.1134722 2.38097972 2.53869625 -1.48150572 0.92243173 3.02008332 1.47465052 1.57493957 0.24768173 0.06696407 4.31829966 0.38474902 1.2626953 2.85493253 -1.02737793 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 689-67-8 19633 144213250 F F 6,10-Dimethyl-5,9-undecadiene-2-one C/C(C)=C\CCC(C)=CCCC(C)=O Tox21_302933 -NCGC00257376-01 196707934 tox21-ror-cho-viability-p1 set1 4 -5.62656116 2.94201843 -10.06940579 -0.83989458 0.47062214 0.33404339 -0.83226386 0.55125078 -0.78941444 3.25356298 -1.94917208 0.59588081 1.06456828 0.5338914 0.44584036 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 144-62-7 971 144213663 A Oxalic acid O=C(O)C(=O)O Tox21_303346 -NCGC00090986-03 196707940 tox21-ror-cho-viability-p1 set1 -2.2 61.5037543138 -55.644987991 2.975930965 -52.669057026 2.5884283767 0.8789398572 0.0008227944 1.13775169 -4.19402455 0.36661285 2.32345955 1.54568967 7.32780671 10.79728157 9.29344199 3.11287468 -0.62562658 -0.57680084 6.07684342 -4.0787402 -11.08745791 -39.68409913 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.000041429999999 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00257083-01 196708343 tox21-ror-cho-viability-p1 set1 4 6.2626537 2.66423425 0.5234012 1.16077111 -1.42283149 4.00955901 -0.52733067 3.61663136 3.07203311 0.24589691 -6.03883795 -0.09551046 4.1034259 2.00809268 9.04768872 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2855-13-2 17857 144213439 F Isophorone diamine NCC1(C)CC(C)(C)CC(N)C1 Tox21_303122 -NCGC00256491-01 196708350 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -24.1813103199 1.5 -22.6813103199 4.9549173134 0.5526990017 0.1334884298 2.27871268 0.23913043 0.62158577 -0.70282524 1.52530197 3.55258687 3.57083632 4.14022198 -11.56776449 2.13251488 2.32206458 4.97115971 4.19798205 1.39090057 -15.5677586 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 111-71-7 8130 144213096 F Heptanal CCCCCCC=O Tox21_302779 -NCGC00256670-01 196708361 tox21-ror-cho-viability-p1 set1 4 54.4826732819 -20.323184996 -2 -22.323184996 3.0654483358 0.5091446293 0.1704600584 0.77319183 0.3619026 -14.75273698 -0.8221629 0.94212697 -0.16609598 -0.2390643 -6.59052387 -0.8208178 -0.44285355 -7.89968104 -2.09087587 -0.55694559 -7.92799073 -19.01932083 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2443-58-5 75547 144212912 A A 2-Hydroxyfluorene Oc1ccc2c3ccccc3Cc2c1 Tox21_302595 -NCGC00091499-05 196700713 tox21-ror-cho-viability-p1 set1 4 -4.15656717 2.25484537 -1.31591054 -0.79290065 -1.08527229 -4.73889772 -2.12904002 -7.84685385 -3.86643391 -1.32068306 -5.53507168 -5.51785116 -1.49289253 -0.6730609 -2.27222582 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00094908-06 196705271 tox21-ror-cho-viability-p1 set1 4 -0.92069757 3.26937845 -3.58227002 0.47432188 3.03707754 2.31549663 -3.72655202 1.52581878 1.7402963 -6.51285533 1.19926212 -6.42339935 -6.38088886 -4.86634317 -3.85930912 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-47-2 4059 170466586 Ac Mephenesin OCC(O)COc1ccccc1C Tox21_111356_1 -NCGC00090750-04 196701116 tox21-ror-cho-viability-p1 set1 4 -0.30466808 -0.04117023 -2.01638982 -1.11425234 -0.55025844 -1.65107946 0.74043257 -0.75841596 -0.0976324 8.41062051 8.7214819 -0.14370671 -5.28704123 -4.54721274 -0.00008917 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00255278-01 196700710 tox21-ror-cho-viability-p1 set1 4 0.65979084 1.28610161 2.51351937 -1.73837503 4.17103453 2.80262674 3.62122592 -3.05060737 1.98881321 -0.2968789 3.68921722 1.2136367 2.01893605 3.90231663 1.5214372 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76-39-1 6442 144212228 A A 2-Methyl-2-nitro-1-propanol [O-][N+](=O)C(C)(C)CO Tox21_301911 -NCGC00256204-01 196700714 tox21-ror-cho-viability-p1 set1 4 4.4305789 -2.82965958 0.14438738 0.49804518 2.02822327 2.24720389 1.83163476 -0.27122606 2.3559693 5.16476252 3.39579668 3.28856503 0.89457994 3.30150854 1.84221779 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 469-61-4 442348 144212622 Ac Fns alpha-Cedrene CC1=CC[C@]23CC1C(C)(C)[C@@H]3CC[C@H]2C Tox21_302305 -NCGC00091632-02 196701124 tox21-ror-cho-viability-p1 set1 4 2.3672433 -0.24285854 3.14607655 1.56664873 3.2561136 2.96922907 1.10227316 -0.94096304 1.79869508 3.27823119 2.13962036 0.39649549 0.85868294 5.47384771 -0.16982585 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00255116-01 196701125 tox21-ror-cho-viability-p1 set1 4 36.0257868628 13.8247133 -1.8247133 12 1.4641 0.6654616852 0.0557596176 -2.32589947 -2.03614422 -2.17255094 0.05485402 -5.86391251 -0.70372245 -0.75262163 -0.99081068 -6.10392775 -1.28905122 4.95091171 -0.49879002 -0.0168041 5.94518452 10.54025989 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 NOCAS_47796 712 144212755 FNS Formalin C=O Tox21_302438 -NCGC00255293-01 196701136 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -18.350022172 2 -16.350022172 4.9549173134 0.8185618316 0.0053271786 2.48723356 -0.43605786 1.74130421 0.70677009 0.33594665 1.06438478 0.95657344 2.16176072 3.26204427 6.13148554 1.9592084 -0.46879296 2.33517594 3.46391657 -13.20835181 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4602-84-0 445070 144212351 Ac Cc Farnesol C/C(C)=C\CCC(\C)=C\CCC(\C)=C\CO Tox21_302034 -NCGC00258291-01 196701530 tox21-ror-cho-viability-p1 set1 4 -1.01738056 -0.22226057 -0.32730531 0.79048477 5.45385562 -1.10172554 0.66170268 4.51578421 -3.28512775 3.06506278 6.02879012 0.92611294 -15.82517355 0.00637319 1.49370294 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.5809999999E-8 1.472E-7 3.291E-7 7.358E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.00004113 0.00009198 121-89-1 8494 144207935 A A 3-Nitroacetophenone O=[N+]([O-])c1cc(ccc1)C(C)=O Tox21_200737 -NCGC00258638-01 196701532 tox21-ror-cho-viability-p1 set1 4 -0.93336138 -0.67307259 1.53139446 0.73000524 1.21406785 6.42713634 5.67335988 2.74855746 1.78648618 2.88473975 1.6663379 -1.55985886 3.58439252 -1.6664759 -0.26017151 1.1989999999E-9 2.6809999999E-9 5.995E-9 1.3409999999E-8 2.998E-8 6.703E-8 1.4989999999E-7 3.351E-7 7.494E-7 0.000001676 0.000003747 0.000008378 0.00001873 0.00004189 0.00009367 106-31-0 7798 144208284 A A Butanoic anhydride CCCC(=O)OC(=O)CCC Tox21_201086 -NCGC00258297-01 196701536 tox21-ror-cho-viability-p1 set1 4 2.1844437339 -8.429625264 4 -4.429625264 4.9549173134 0.611679744 0.0889881917 6.25021687 -0.16093611 0.67345529 5.17481148 5.51642145 0.90361068 7.76638926 0.08272748 11.36985406 2.24497564 -5.76224988 -0.67909764 -5.16979149 -7.02468772 -4.24875818 1.187E-9 2.6549999999E-9 5.936E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.3189999999E-7 7.42E-7 0.000001659 0.0000037099999999 0.0000082959999999 0.00001855 0.000041479999999 0.00009276 97-32-5 7331 144207941 A A 4-Methoxy-3-nitro-N-phenylbenzamide COc1ccc(cc1[N+]([O-])=O)C(=O)Nc2ccccc2 Tox21_200743 -NCGC00258463-01 196701538 tox21-ror-cho-viability-p1 set1 4 34.5161257776 13.5971735079 -3.5971735079 10 1.9673362061 0.5558876823 0.131164426 -2.79957776 -2.66562048 -9.24764459 -3.30947771 -0.23095077 -8.1581106 -5.88123862 -0.00057829 2.73555265 -6.8839637 -5.11942056 1.18748271 -2.21866092 4.90906386 9.17714996 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004135 0.00009247 576-24-9 11334 144208107 Z Z 2,3-Dichlorophenol Oc1cccc(Cl)c1Cl Tox21_200909 -NCGC00258727-01 196701958 tox21-ror-cho-viability-p1 set1 4 2.2397685585 -3.4453775439 2 -1.4453775439 4.9549173134 0.3176220782 0.370630153 0.64319335 0.63974563 0.0125864 0 1.78256668 3.76634627 3.67557997 0.25816517 4.93267928 3.07445477 -7.03781462 0.5251339 -0.25990023 -0.3547187 7.54419106 1.212E-9 2.71E-9 6.061E-9 1.3549999999E-8 3.03E-8 6.7759999999E-8 1.515E-7 3.388E-7 7.576E-7 0.0000016939999999 0.0000037879999999 0.00000847 0.00001894 0.00004235 0.0000947 110-89-4 8082 144208373 FNS Piperidine C1CCCCN1 Tox21_201175 -NCGC00255277-01 196701469 tox21-ror-cho-viability-p1 set1 -2.1 54.2357316444 -88.4652096665 1.309510491 -87.1556991755 2.6384283767 0.9837991212 1.4E-8 2.94466451 3.74917697 -2.02226149 -2.66694304 -1.20852325 2.01950574 2.16052701 5.87785026 4.41396709 2.0942203 1.78806915 0.41388828 -3.12259063 -23.11325898 -66.02704483 1.0679999999E-9 2.3869999999E-9 5.3379999999E-9 1.1939999999E-8 2.6689999999E-8 5.9679999999E-8 1.335E-7 2.9839999999E-7 6.6729999999E-7 0.0000014919999999 0.000003336 0.00000746 0.00001668 0.0000373 0.000083409999999 56-95-1 9562059 144212680 A A Chlorhexidine diacetate Clc2ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)cc2.CC(=O)O.CC(=O)O Tox21_302363 -NCGC00091468-02 196701468 tox21-ror-cho-viability-p1 set1 4 0.8773655 -0.25126056 1.32502857 -0.32738058 0.38599789 0.62555611 0.93195598 0.27887362 0.7388425 -1.10859466 0.52646458 -0.95440192 -0.20277013 -7.41951834 0.97915202 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00256002-01 196701470 tox21-ror-cho-viability-p1 set1 4 -8.60979085 1.0692417 -6.17705839 -0.16706184 -0.62487202 -5.51537016 -1.43532736 -5.93743101 1.91450371 0.69095622 -1.68424947 -1.52575205 -3.5075757 -5.01994356 -4.65766779 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-89-4 6504 144211800 A A Acetyltriethyl citrate O=C(C)OC(CC(=O)OCC)(CC(=O)OCC)C(=O)OCC Tox21_301483 -NCGC00263894-02 196698585 tox21-ror-cho-viability-p1 set1 4 -2.411495 -2.27860742 -0.67623594 -4.60686731 -0.06855491 -1.4311285 -5.20157192 1.10304209 0.93811827 1.70797357 2.11617137 -3.23291342 0.81504689 2.18089517 3.15347105 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 461-05-2 9794197 170465037 Z Carnitine hydrochloride Cl.C[N+](C)(C)CC(O)CC(=O)[O-] Tox21_111339_1 -NCGC00167457-02 196698576 tox21-ror-cho-viability-p1 set1 4 -3.3841022 -9.87872849 -8.24549141 -5.61256131 -7.5949232 -5.50096467 -1.33758448 -1.12829342 -1.77742213 2.32687645 0.38550214 -5.58674495 -10.85452371 -9.4911341 -18.31055892 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16320-04-0 27812 170466364 A Gestrinone O=C3C=C4CC[C@@H]2C(C=C[C@@]1(CC)[C@H]2CC[C@@]1(O)C#C)=C4CC3 Tox21_112461_1 -NCGC00164502-02 196698577 tox21-ror-cho-viability-p1 set1 -3 33.4914596268 -47.8459283997 1.2488150535 -46.5971133462 4.9549173134 0.9750747659 1.691E-7 0.68766151 0.60523546 4.1490381 -0.04422739 0.22739055 -0.12576074 1.06126662 0.52964787 1.34667636 -0.13053131 -0.31483428 1.2088175 2.05856439 1.24403632 -40.87466083 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3270-71-1 18637 170466562 D Nifuraldezone O=[N+]([O-])c1ccc(/C=N/NC(=O)C(N)=O)o1 Tox21_112140_1 -NCGC00166076-07 196698584 tox21-ror-cho-viability-p1 set1 4 1.15845373 -1.53074039 -1.35634329 -1.3884413 3.51729184 1.56432403 -0.14845039 6.02347897 -1.25835349 0.18438499 1.87270812 3.35763466 -3.16476139 2.32762273 3.25837015 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 497-76-7 440936 170465722 A Arbutin Oc1ccc(cc1)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O Tox21_111509_1 -NCGC00163735-04 196698986 tox21-ror-cho-viability-p1 set1 4 -9.62404776 -2.31216021 -1.24743644 -1.9654953 -9.8876924 -1.18425694 -1.60748561 -2.36700344 -0.62400511 0.94706339 -12.01655562 -6.72222707 -0.76571534 -7.57393855 3.09746986 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00254358-01 196698997 tox21-ror-cho-viability-p1 set1 4 -0.41849991 0.67288024 0.13716327 0.34944093 2.83798537 0.77234306 -1.03382645 0.39786985 0.49373243 3.58114329 -1.62299479 2.41537329 2.91033878 1.98696506 -1.84122963 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-51-4 7440 144210705 A A 1,2-Dimethyl-4-nitrobenzene Cc1ccc(cc1C)[N+](=O)[O-] Tox21_300387 -NCGC00254211-01 196699405 tox21-ror-cho-viability-p1 set1 -2.1 48.5577336745 -92.304390455 -1.2580743909 -93.5624648459 3.0654483358 0.9932466935 1E-10 -0.11341152 -4.71785767 -0.91262138 -2.85103952 -1.83045243 -1.3549281 0.03686643 -1.37786835 0.33645236 -0.1104273 -2.13550862 -1.71036672 -0.87307315 -36.42726435 -82.24429155 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47366 53316382 144210566 A A SAR115740 Fc1cccc(c1)Cn4c5ccc(F)cc5cc4C(=O)Nc2cc3ccnc3cc2 Tox21_300246 -NCGC00253933-01 196699820 tox21-ror-cho-viability-p1 set1 4 -1.33180362 -3.14974684 -1.37497461 1.1532308 1.00343374 -2.28895342 -0.61035579 1.61836954 -2.02222444 1.33790801 1.08734711 -1.35275527 -1.66049653 -1.44221233 0.92126131 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-60-2 7768 144210483 A A Caprolactam O=C1CCCCCN1 Tox21_300163 -NCGC00253993-01 196699823 tox21-ror-cho-viability-p1 set1 -2.4 36.5013308535 -23.47254122 -4.343110244 -27.815651464 1.6266150999 0.8930596277 0.000452703 -8.09502082 -3.0329754 -3.63227507 -6.21180339 -4.48081433 -3.59790587 -1.95259187 -3.59869489 -4.54789323 -2.82532767 -9.31908455 -5.64402631 -8.15364701 -16.08086134 -24.84637622 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 478263-98-8 24852044 144210570 A A AVE3295 [Na+].CC[C@H](NC(=O)c3cc(F)ccc3[N-]S(=O)(=O)c1cccc2cccnc12)c4ccccc4 Tox21_300250 -NCGC00254290-01 196699827 tox21-ror-cho-viability-p1 set1 4 -0.21991705 -0.18455728 -2.83011702 -4.9174001 -0.45715862 0.18198342 2.26804401 -5.2733708 0.65755579 -2.34993148 -6.7014063 2.3676717 -1.41869401 2.24684004 -0.23268663 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 4455-26-9 78202 144210686 FC N-Methyldioctylamine CN(CCCCCCCC)CCCCCCCC Tox21_300368 -NCGC00357057-01 196724495 tox21-ror-cho-viability-p1 set3 4 -12.29779898 5.62377233 -7.60795044 -0.39155859 6.40228406 4.53071088 -5.16519699 -7.62021524 0.12193998 4.07707678 -1.94748561 -8.44551073 -8.90503536 -8.81414094 -2.45596114 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 31482-56-1 92278 251919895 A C.I. Disperse Orange 25 [O-][N+](=O)c1ccc(cc1)/N=N/c2ccc(cc2)N(CCC#N)CC Tox21_303759 -NCGC00257093-01 196726920 tox21-ror-cho-viability-p1 set3 4 0.0136715126 10.141026228 -8.641026228 1.5 0.5999999999 0.7379177061 0.0237786585 -8.45085519 -3.91565418 -3.12311403 -5.76193448 -2.83766766 -0.81067415 -3.08779349 2.16792463 1.62432768 2.97796945 1.2844989 -0.41732056 -0.41482349 0.12925507 3.05168656 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.000018429999999 0.0000412 0.000092129999999 56-93-9 5963 144213577 A Benzyltrimethylammonium chloride [Cl-].C[N+](C)(C)Cc1ccccc1 Tox21_303260 -NCGC00357083-01 196724503 tox21-ror-cho-viability-p1 set3 4 0.0017228934 17.579941664 -16.579941664 1 4.9549173134 0.6725019145 0.051827749 -14.23328472 -1.21904717 3.78920246 3.85564339 -2.09658834 -4.11591324 3.23757406 -0.43312469 -4.24886376 2.80196568 1.86561978 1.07883425 0.23889335 1.65649871 4.65653329 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6175-45-7 22555 251919922 A 2,2-Diethoxyacetophenone O=C(C(OCC)OCC)c1ccccc1 Tox21_303796 -NCGC00159417-06 196724488 tox21-ror-cho-viability-p1 set3 -2.1 44.2913331849 -90.201501984 1.1453788709 -89.0561231131 2.3331733767 0.962333776 0.0000017505 -12.18011386 -2.39539966 2.85177146 -3.12837361 2.5925398 0.57532175 3.50369378 3.48447528 3.42966776 3.35316314 3.05143036 2.77489798 -7.88687058 -42.68005849 -75.04251751 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008409 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00357249-01 196724498 tox21-ror-cho-viability-p1 set3 4 12.1971512362 8.621799656 -4.121799656 4.5 2.4063783767 0.4965207118 0.2002125087 -4.9333125 -0.89754288 -1.07407912 -8.01816638 -5.04549982 1.02050148 -3.80461706 -5.49165066 -5.66602391 -4.83124147 -2.21286224 -4.19876321 4.95517621 2.59226414 -1.99773399 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2832-40-8 5359815 251919645 Ac C.I. Disperse Yellow 3 Oc2ccc(C)cc2/N=N/c1ccc(NC(C)=O)cc1 Tox21_304042 -NCGC00163724-03 196724505 tox21-ror-cho-viability-p1 set3 -2.4 68.5896218971 -35.995120156 -1.5 -37.495120156 4.0449729863 0.8013211588 0.0077441729 -7.95395495 0.11913199 -0.9797238 2.2212857 3.56986173 -0.6506796 5.48357513 -5.19332718 -5.98237917 -2.87248114 -3.94673372 -2.31105254 -0.15778959 -5.52299768 -29.16260013 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00260215-01 196724509 tox21-ror-cho-viability-p1 set3 4 0.0015324078 11.540742084 -11.540742084 0 4.9549173134 0.3660506765 0.3060513117 -9.61728507 0.98837605 0.21291384 -5.52252904 0.0869448 -2.26285498 1.3609868 3.06381702 0.15210615 -7.30927565 0.35433957 0.48028008 5.34290992 4.21729866 0.43727367 1.1779999999E-9 2.634E-9 5.891E-9 1.3169999999E-8 2.945E-8 6.586E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.0000036819999999 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009204 608140-12-1 16726630 144209865 A A 1-Methyl-1-propylpiperidinium bis(trifluoromethylsulfonyl)imide CCC[N+]1(C)CCCCC1.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F Tox21_202667 -NCGC00260383-01 196724904 tox21-ror-cho-viability-p1 set3 4 0.0043497272 12.812586012 -8.812586012 4 0.5999999999 0.6852443877 0.0457150999 -5.22237827 -1.136235 -5.67715501 1.25377405 2.1181791 2.84225863 1.63143108 1.92799058 1.85384385 3.97159354 6.17102967 4.82146377 5.67910634 0.0643775 4.68332912 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.312E-7 7.405E-7 0.000001656 0.000003702 0.000008279 0.00001851 0.0000414 0.00009256 497-03-0 5321950 144210035 F 2-Methyl-2-butenal C[C@H]=C(C)C=O Tox21_202837 -NCGC00260536-01 196724906 tox21-ror-cho-viability-p1 set3 4 -4.12789903 1.08638283 -3.07884604 -3.87118441 0.87838044 4.82781496 -11.1256638 1.20746678 1.11327279 4.20454762 4.72621581 -0.59179023 0.96538703 3.60126159 -0.5797097 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.3169999999E-8 2.944E-8 6.583E-8 1.472E-7 3.2919999999E-7 7.3599999999E-7 0.0000016459999999 0.00000368 0.0000082289999999 0.000018399999999 0.00004115 0.000092 85-68-7 2347 144210189 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_202991 -NCGC00260177-01 196724907 tox21-ror-cho-viability-p1 set3 -2.1 54.4272718766 -97.7287770379 0.5669232379 -97.1618538 1.92824246 0.9593734074 0.0000026707 -6.93550553 0.7027453 -3.89012455 3.54147949 -1.06944756 -5.1117321 5.72330262 5.11768014 5.47769289 0.35837769 0.98023728 2.72490947 -15.56574813 -34.49307391 -73.607465 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.947E-8 6.591E-8 1.474E-7 3.295E-7 7.368E-7 0.000001648 0.000003684 0.000008238 0.00001842 0.00004119 0.00009211 244193-59-7 46226173 144209827 A A 1-Dodecyl-3-methylimidazolium tetrafluoroborate F[B-](F)(F)F.C[n+]1ccn(CCCCCCCCCCCC)c1 Tox21_202629 -NCGC00091663-03 196724910 tox21-ror-cho-viability-p1 set3 4 -10.86431734 -7.8911524 1.79416122 -12.97146455 0.27526752 1.64047719 -0.9876739 -0.27960724 2.64236371 0.32743763 0.82468438 -9.83519253 -2.71518907 -3.35737821 -6.48991679 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00260406-01 196724926 tox21-ror-cho-viability-p1 set3 4 1.4076034454 -4.8078420319 4.5 -0.3078420319 1.6604358099 0.4973860249 0.1836716069 1.82088702 0.96178238 2.95577305 8.79540484 3.62601623 4.95599509 7.66351814 3.89515797 2.91600039 1.08399862 0.6272074 2.31219391 -0.69637403 -2.33986836 -0.05725942 1.208E-9 2.702E-9 6.041E-9 1.3509999999E-8 3.021E-8 6.754E-8 1.51E-7 3.3769999999E-7 7.552E-7 0.000001689 0.0000037759999999 0.0000084429999999 0.00001888 0.00004222 0.0000944 623-51-8 12185 144210058 A Acetic acid,mercapto-,ethylester O=C(OCC)CS Tox21_202860 -NCGC00259323-01 196709177 tox21-ror-cho-viability-p1 set2 4 78.5267268007 -10.052461888 1 -9.052461888 4.9549173134 0.637678912 0.0741080476 2.08517769 1.57988228 0.97850826 2.66589729 3.94873669 -0.71202447 1.22227461 0.0528419 -0.64923472 -0.06615763 0.11407973 3.57957351 0.10987836 1.32879087 -6.29371824 1.1999999999E-9 2.683E-9 5.999E-9 1.3409999999E-8 3E-8 6.707E-8 1.5E-7 3.3539999999E-7 7.499E-7 0.000001677 0.000003749 0.000008384 0.00001875 0.00004192 0.00009374 709-98-8 4933 144208972 A A Propanil Clc1ccc(NC(=O)CC)cc1Cl Tox21_201774 -NCGC00259759-01 196709180 tox21-ror-cho-viability-p1 set2 4 -3.61877337 -1.8785839 1.7914076 -4.27508803 -0.58889641 -2.06919667 1.01979437 -0.94327712 -0.75324917 -0.03877541 -1.81781796 -1.85129021 0.37458107 1.79928115 -1.64014887 1.183E-9 2.6459999999E-9 5.916E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.395E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 85-43-8 6810 144209408 A A Tetrahydrophthalic anhydride O=C1OC(=O)C2CC=CCC12 Tox21_202210 -NCGC00259749-01 196708773 tox21-ror-cho-viability-p1 set2 4 2.66634965 -3.9052601 -5.2889018 -20.2425299 -3.79416236 -5.49957449 1.97098119 0.63974772 1.4420068 1.79351657 -6.05999205 -4.69406695 -5.26062498 -0.18269656 0.78842941 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 1917-15-3 74710 144209398 A A 5-Methyl-2-furancarboxylic acid O=C(O)c1ccc(C)o1 Tox21_202200 -NCGC00258915-01 196708782 tox21-ror-cho-viability-p1 set2 4 10.8928361719 8.017538624 -0.017538624 8 1.0641 0.4052476575 0.2862636986 2.48341048 2.02343385 -2.18097779 -7.51461552 1.63071795 2.05851109 0.98802627 -1.00495073 2.70096223 1.12803025 1.0415711 2.21833634 6.51674208 6.04730083 -0.50356628 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.61E-8 1.4779999999E-7 3.305E-7 7.3899999999E-7 0.0000016519999999 0.0000036949999999 0.000008262 0.000018469999999 0.00004131 0.00009237 126-30-7 31344 144208561 B A 2,2-Dimethylpropane-1,3-diol CC(C)(CO)CO Tox21_201363 -NCGC00259491-01 196709182 tox21-ror-cho-viability-p1 set2 4 0.3021885665 4.943575784 -2.943575784 2 1.8851180601 0.5894188591 0.1068378686 -1.14756084 -1.63221042 -4.5335321 -7.45297982 0.34154555 -2.02509891 -2.43742399 -0.10203846 2.341849 1.66982008 0.06619633 1.20936825 3.31496303 2.74827053 0.80704594 1.284E-9 2.8709999999E-9 6.42E-9 1.436E-8 3.2099999999E-8 7.178E-8 1.605E-7 3.5889999999E-7 8.0249999999E-7 0.0000017939999999 0.0000040119999999 0.000008972 0.000020059999999 0.00004486 0.0001003 75-12-7 713 144209140 A A Formamide NC=O Tox21_201942 -NCGC00259477-01 196709190 tox21-ror-cho-viability-p1 set2 4 -1.25869584 -0.96555739 -4.35298696 -9.96581416 0.40107693 0.8869088 -5.70715509 -0.86011726 -0.54924536 -1.80935042 -0.07865533 -0.36777912 1.00544585 -0.48420993 -0.46351683 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.000001648 0.000003684 0.000008238 0.00001842 0.00004119 0.000092099999999 1465-25-4 15106 144209126 C C N-(1-Naphthyl)ethylenediamine dihydrochloride Cl.Cl.NCCNc2cccc1ccccc12 Tox21_201928 -NCGC00259012-01 196709193 tox21-ror-cho-viability-p1 set2 4 42.3984116456 9.603645196 0.396354804 10 0.8999999999 0.3926200194 0.2820855008 1.09508707 -5.91970433 -0.24683161 4.20262074 4.75669419 -0.02184089 0.84475725 0.95041441 -0.23921942 0.61573132 0.46819686 4.7281597 1.50833738 5.30206649 7.30625375 1.16E-9 2.5929999999E-9 5.799E-9 1.297E-8 2.8989999999E-8 6.4829999999E-8 1.45E-7 3.2419999999E-7 7.2489999999E-7 0.000001621 0.000003624 0.0000081039999999 0.00001812 0.00004052 0.00009061 110-05-4 8033 144208659 FNS Di-tert-butyl peroxide CC(C)(C)OOC(C)(C)C Tox21_201461 -NCGC00259963-01 196709199 tox21-ror-cho-viability-p1 set2 4 2.47710523 -0.46900232 0.9273558 4.58073079 3.44410396 1.22820607 2.31361573 1.92091623 1.90729413 -0.88073912 -0.00340877 5.43890712 -0.87298058 3.69305201 1.65360799 1.195E-9 2.6729999999E-9 5.9769999999E-9 1.336E-8 2.988E-8 6.682E-8 1.494E-7 3.341E-7 7.4709999999E-7 0.000001671 0.000003735 0.000008353 0.000018679999999 0.000041759999999 0.00009339 637-07-0 2796 144209612 Z Z Clofibrate Clc1ccc(OC(C)(C)C(=O)OCC)cc1 Tox21_202414 -NCGC00259008-01 196709591 tox21-ror-cho-viability-p1 set2 4 -1.00285385 -1.15836916 -3.20534809 0.41157604 -0.98584745 -1.23539345 0.20839034 1.16787528 -1.33464771 -1.11312302 0.02086758 1.61850539 0.28368836 -1.01613118 1.60917333 1.157E-9 2.5879999999E-9 5.7869999999E-9 1.2939999999E-8 2.8929999999E-8 6.4699999999E-8 1.447E-7 3.235E-7 7.233E-7 0.000001617 0.000003617 0.0000080869999999 0.000018079999999 0.00004043 0.00009041 86-30-6 6838 144208655 I N-Nitrosodiphenylamine O=NN(c1ccccc1)c2ccccc2 Tox21_201457 -NCGC00259044-01 196709590 tox21-ror-cho-viability-p1 set2 4 -2.17267109 -4.37113435 -0.56661771 0.58692265 0.47757661 -1.79124698 -0.77252931 -1.66240025 0.69992132 -3.51401713 -1.20773838 -0.90767782 -0.8524684 -6.2334033 -0.34298559 1.171E-9 2.618E-9 5.8549999999E-9 1.3089999999E-8 2.927E-8 6.546E-8 1.464E-7 3.2729999999E-7 7.3179999999E-7 0.0000016359999999 0.0000036589999999 0.000008182 0.0000183 0.000040909999999 0.00009148 135-20-6 2724103 144208691 F Cupferron [NH4+].O=NN([O-])c1ccccc1 Tox21_201493 -NCGC00258974-01 196709596 tox21-ror-cho-viability-p1 set2 4 66.9189936076 -15.948033372 1.5 -14.448033372 4.0449729863 0.7939489443 0.0091830129 2.28189862 0.83346418 4.44406611 4.59143318 1.04443989 0.89808079 2.54662954 2.71784631 -0.00391429 -0.13153919 -0.44546831 1.30401374 -0.93643516 -0.20423806 -10.79002781 1.156E-9 2.585E-9 5.78E-9 1.293E-8 2.8899999999E-8 6.463E-8 1.4449999999E-7 3.231E-7 7.225E-7 0.000001616 0.000003613 0.000008078 0.000018059999999 0.00004039 0.000090319999999 127-47-9 638034 144208621 C Fns Retinol acetate CC=1CCCC(C)(C)C=1/C=CC(\C)=C\C=C\C(\C)=C\COC(C)=O Tox21_201423 -NCGC00091163-03 196709599 tox21-ror-cho-viability-p1 set2 4 -0.1041216 1.66239054 0.58389796 1.13463345 6.76485285 -1.57205839 2.07075699 1.66233536 0.53032808 8.86646872 0.32383159 2.12028485 0.66494115 -2.09059019 -1.87657847 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00259832-01 196709608 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -40.6133964359 1.5 -39.1133964359 4.9549173134 0.9592072861 0.0000027443 4.09548916 0.59175416 3.00410113 -0.8934042 2.56421259 5.6209335 0.29997844 0.20551745 0.27556508 0.58645172 1.41638685 -0.09926074 0.83472957 -0.91749734 -31.34449703 1.18E-9 2.6389999999E-9 5.9009999999E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.299E-7 7.376E-7 0.000001649 0.000003688 0.0000082469999999 0.00001844 0.000041229999999 0.0000922 109-09-1 7977 144209481 AC Ac 2-Chloropyridine Clc1ccccn1 Tox21_202283 -NCGC00260256-01 196703198 tox21-ror-cho-viability-p1 set1 4 -0.50727621 0.45412614 -1.40599544 4.44737512 1.28351263 -2.35626712 1.78963351 -0.03413766 6.27002359 2.88009264 -2.48793754 6.07496479 1.61077493 2.53577283 2.42920277 1.177E-9 2.6319999999E-9 5.884E-9 1.316E-8 2.942E-8 6.579E-8 1.471E-7 3.29E-7 7.356E-7 0.000001645 0.0000036779999999 0.000008224 0.00001839 0.000041119999999 0.000091939999999 528818-82-8 60196394 144209906 A A 1-Methyl-1-propylpyrrolidinium chloride [Cl-].C[N+]1(CCC)CCCC1 Tox21_202708 -NCGC00258485-01 196702795 tox21-ror-cho-viability-p1 set1 4 6.1752757273 -35.360971788 2.5 -32.860971788 0.2 0.6422576085 0.0687784204 -6.85614631 5.10521719 -4.33593414 -6.74221261 -7.46989698 -9.29978307 -18.11150663 -8.15569974 -7.01743086 -14.52665866 -13.03750668 -11.84846447 -15.7388811 -17.969986 -24.46747649 1.19E-9 2.6619999999E-9 5.951E-9 1.331E-8 2.976E-8 6.654E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.00000372 0.000008317 0.0000186 0.00004159 0.000092989999999 591-35-5 11571 144208129 A A 3,5-Dichlorophenol Oc1cc(Cl)cc(Cl)c1 Tox21_200931 -NCGC00258404-01 196702800 tox21-ror-cho-viability-p1 set1 4 33.6782554775 11.470012848 1.529987152 13 0.6 0.4926953562 0.1876930895 4.30527548 1.1726026 4.42647853 4.88817933 3.88231875 -2.05834404 0.29305278 -0.60727654 5.42774788 4.38375419 3.25379592 4.1542615 6.54234919 7.51644334 9.57965943 1.16E-9 2.595E-9 5.802E-9 1.297E-8 2.901E-8 6.487E-8 1.451E-7 3.244E-7 7.253E-7 0.000001622 0.0000036269999999 0.000008109 0.000018129999999 0.000040549999999 0.000090659999999 151-67-7 3562 144208048 FC Fns Halothane BrC(Cl)C(F)(F)F Tox21_200850 -NCGC00260396-01 196703197 tox21-ror-cho-viability-p1 set1 4 -4.35167328 -1.08094172 -3.09517415 -7.08282346 -5.7413854 -11.75772635 -5.01850907 -4.50369312 -4.87393999 -5.1159177 -4.73902717 -0.77582192 -9.48010047 -3.15645977 -0.25407997 1.164E-9 2.602E-9 5.819E-9 1.301E-8 2.909E-8 6.5049999999E-8 1.4549999999E-7 3.253E-7 7.2729999999E-7 0.0000016259999999 0.0000036369999999 0.000008132 0.00001818 0.000040659999999 0.00009092 589-34-4 11507 144210048 Fns 3-Methylhexane CC(CC)CCC Tox21_202850 -NCGC00260109-01 196703203 tox21-ror-cho-viability-p1 set1 4 1.73021881 0.82990499 -0.33844635 -0.23217963 -7.0067615 0.74679763 -0.7822254 -2.85594464 -0.6450903 -3.60004092 -4.35957033 -3.64507795 0.5533443 0.07955927 0.05563928 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.61E-8 1.4779999999E-7 3.305E-7 7.3899999999E-7 0.0000016519999999 0.0000036949999999 0.000008262 0.000018469999999 0.00004131 0.00009237 825-90-1 4379756 144209758 A A Monosodium 4-phenolsulfonate [Na+].Oc1ccc(cc1)S(=O)([O-])=O Tox21_202560 -NCGC00357269-01 196703205 tox21-ror-cho-viability-p1 set1 4 0.07648864 -0.91239028 -10.0089371 -0.57860163 -10.52114614 -6.49818338 4.12407487 1.14489901 0.33211852 0.47075354 -0.63857708 -6.29297853 3.37129216 -10.17739077 1.55650145 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 565-80-0 11271 251919742 Fc 2,4-Dimethylpentan-3-one CC(C)C(=O)C(C)C Tox21_303876 -NCGC00094532-06 196703208 tox21-ror-cho-viability-p1 set1 4 1.22760605 0.70183892 2.06253524 -1.19409151 1.16708083 -19.43484841 1.23988042 -0.26086258 -1.44624091 -1.13148623 -2.90807158 0.32950178 -1.2257242 -0.27356328 -9.49638674 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00260112-01 196703213 tox21-ror-cho-viability-p1 set1 4 0.52877407 0.1694759 -0.44125199 0.2009124 -2.0246572 -3.21649388 0.23772 -0.25764691 -2.95706738 -8.03219603 -1.81959012 -1.97080503 -2.88436902 -0.1296706 -1.57229549 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.65E-8 1.487E-7 3.325E-7 7.435E-7 0.000001662 0.0000037169999999 0.000008312 0.00001859 0.00004156 0.000092939999999 3327-22-8 18732 144209761 Fns Dextrosil [Cl-].C[N+](C)(C)CC(O)CCl Tox21_202563 -NCGC00260378-01 196703612 tox21-ror-cho-viability-p1 set1 -2.2 69.2877332643 -72.0836136722 -6.198131311 -78.2817449832 3.1924983358 0.9496877912 0.0000087025 -4.67632341 -3.34110868 -3.57317332 -2.55013347 -8.53303538 -3.90782343 -7.09960554 -2.51608735 -3.08098182 -7.13315591 -11.50450684 -7.98820597 -13.65774911 -16.55169365 -59.30435226 1.19E-9 2.6619999999E-9 5.9519999999E-9 1.331E-8 2.976E-8 6.655E-8 1.4879999999E-7 3.3269999999E-7 7.44E-7 0.0000016639999999 0.00000372 0.000008319 0.0000186 0.00004159 0.000093 41372-20-7 107882 144210030 A A Apomorphine hydrochloride hydrate Cl.Cl.O.Oc3ccc4C[C@@H]1c2c(cccc2CCN1C)c4c3O.Oc3ccc2C[C@@H]1c4c(CCN1C)cccc4c2c3O Tox21_202832 -NCGC00183876-03 196723562 tox21-ror-cho-viability-p1 set3 4 -25.04954195 0.24889248 3.03266359 6.13118049 -0.41390895 4.6424462 4.63734045 -0.01911376 -1.4131354 6.36476692 -9.7756121 -6.69259023 -2.97059645 4.56297584 11.95812175 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 202138-50-9 5486830 170465338 A Tenofovir disoproxil fumarate O=C(O)C=CC(=O)O.CC(C)OC(=O)OCOP(=O)(OCOC(=O)OC(C)C)CO[C@H](C)Cn2cnc1c(N)ncnc12 Tox21_113627_1 -NCGC00091195-08 196723156 tox21-ror-cho-viability-p1 set3 -1.2 2.9849294812 -54.2112912206 3.1787746214 -51.0325165992 2.5334283767 0.9621211119 0.0000018065 -1.51482609 -0.18639008 -1.64365303 10.51027561 7.68350611 7.39367444 -5.31699161 4.18478678 6.72730111 2.65406913 -7.7362061 -34.73628921 -45.57991531 -47.88989041 -55.91423196 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 70-30-4 3598 170464690 A Hexachlorophene Clc2c(Cc1c(O)c(Cl)cc(Cl)c1Cl)c(O)c(Cl)cc2Cl Tox21_111099_1 -NCGC00015208-19 196723550 tox21-ror-cho-viability-p1 set3 1.4 0.1883363179 20.1999658839 -10.1999658839 10 3.0654483358 0.7421190081 0.02188464 -6.03163408 -18.11472719 -14.26314218 -15.74987683 0 0 -18.49997157 0 6.11616654 9.46314654 13.58381077 6.42439176 9.52529457 7.41305307 14.32870829 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69-22-7 6241 170464929 A Caffeine O=C(O)C(O)(CC(=O)O)CC(=O)O.O=C2c1n(C)cnc1N(C)C(=O)N2C Tox21_110099_1 -NCGC00256025-01 196701075 tox21-ror-cho-viability-p1 set1 4 -2.52856792 -2.33779408 -4.1322954 -4.34490373 -1.20864467 0.51873859 -4.55367437 -1.95411971 -3.02496197 -5.90114224 -2.27816043 -3.76944868 -0.82590052 -1.22940977 3.28105951 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81-83-4 66491 144211902 A A 1H-Benzo[de]isoquinoline-1,3(2H)-dione O=C3NC(=O)c2cccc1cccc3c12 Tox21_301585 -NCGC00255920-01 196701074 tox21-ror-cho-viability-p1 set1 4 -0.20062754 2.11811647 0.54824418 1.29430115 0.88667864 1.29145604 1.49879708 0.46335092 3.50578327 3.42113691 1.01613378 0.25765505 -0.90524688 7.09933606 1.24809252 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4107-98-6 61329 144211690 A Ac N,N-Diisopropylaniline CC(C)N(C(C)C)c1ccccc1 Tox21_301373 -NCGC00256118-01 196701084 tox21-ror-cho-viability-p1 set1 4 8.6349217992 -17.853344804 -3 -20.853344804 1.0999999999 0.6510465395 0.063478188 -11.43932814 0.00266643 0.21238778 3.52322942 -6.90866117 -0.55358653 -7.73997477 -5.90752944 -0.37348281 -7.65295815 -5.24116253 -9.58231482 -21.96112067 -14.40408832 -19.71581576 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 699-12-7 69685 144211837 A F 2-Phenylmercaptoethanol OCCSc1ccccc1 Tox21_301520 -NCGC00257909-01 196701499 tox21-ror-cho-viability-p1 set1 4 -9.68775807 -6.60829268 -2.79495436 -6.32068915 -7.17114272 -0.65265855 -13.6086096 -4.83641662 -3.70604228 -7.51164802 -8.45002251 -8.14652438 -11.91577152 -10.67672416 -7.49731382 1.195E-9 2.671E-9 5.973E-9 1.336E-8 2.986E-8 6.678E-8 1.493E-7 3.3389999999E-7 7.466E-7 0.000001669 0.000003733 0.000008347 0.00001866 0.00004174 0.00009332 74-96-4 6332 144207553 FNS Bromoethane BrCC Tox21_200355 -NCGC00258580-01 196701502 tox21-ror-cho-viability-p1 set1 4 27.3893479715 -11.876753456 0.5 -11.376753456 4.9549173134 0.4628850826 0.2302251861 1.04636179 7.95822146 -1.18804043 0.53519116 2.03252706 -0.3002828 0.7255512 -1.78198127 -5.78410831 1.75335981 -4.76114028 0.44221854 1.87117133 -11.98062788 -0.01002185 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004133 0.000092409999999 121-47-1 8474 144208225 A B 3-Aminobenzenesulfonic acid Nc1cc(ccc1)S(O)(=O)=O Tox21_201027 -NCGC00257782-01 196701903 tox21-ror-cho-viability-p1 set1 4 1.38270591 5.19707242 6.84542777 -3.03672895 -3.19317133 -0.69371554 -0.35709155 4.10867945 -0.16815085 2.09388694 -2.56887261 3.24561531 5.66647232 4.71517659 4.30138303 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 99-93-4 7469 144207426 A A 4-Hydroxyacetophenone O=C(C)c1ccc(O)cc1 Tox21_200228 -NCGC00257768-01 196701907 tox21-ror-cho-viability-p1 set1 -2.2 54.9262221145 -37.27404986 -1 -38.27404986 3.5117481694 0.9833208429 1.66E-8 0.54433686 -1.89257863 -2.31644057 0.73906855 -2.38995737 -1.20296552 -1.48790457 -1.01606279 -0.88716985 -1.27938552 0.76225835 0.93468075 -2.16931609 -11.20546333 -33.14504155 1.188E-9 2.657E-9 5.941E-9 1.3279999999E-8 2.971E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016609999999 0.000003713 0.000008303 0.00001857 0.000041509999999 0.000092829999999 144-48-9 3727 144207412 FNS Iodoacetamide ICC(N)=O Tox21_200214 -NCGC00257608-01 196701918 tox21-ror-cho-viability-p1 set1 4 -4.39026221 -4.27895306 -7.08510224 -3.64955098 -3.0311233 0.411538 -11.39008047 -7.88433306 1.02067888 -4.25787744 -8.03328419 -4.65948821 -6.19390784 -4.35067433 2.6076404 1.16E-9 2.594E-9 5.8009999999E-9 1.297E-8 2.9E-8 6.486E-8 1.45E-7 3.2429999999E-7 7.251E-7 0.000001621 0.0000036259999999 0.0000081069999999 0.000018129999999 0.000040539999999 0.00009064 41253-21-8 4649906 144207252 A A 1,2,4-Triazole, sodium salt [Na+].[n-]1cncn1 Tox21_200054 -NCGC00258241-01 196702310 tox21-ror-cho-viability-p1 set1 4 -5.21034397 -1.53490176 -4.78603604 -2.28186873 -9.96452811 -1.26441732 -8.57771008 -12.42264051 -3.69002378 -2.1357735 -10.14824534 -10.36000155 -8.27592844 -11.15904169 -4.81849161 1.1699999999E-9 2.6159999999E-9 5.849E-9 1.3079999999E-8 2.925E-8 6.539E-8 1.462E-7 3.27E-7 7.311E-7 0.000001635 0.000003656 0.0000081739999999 0.00001828 0.000040869999999 0.000091389999999 18708-70-8 29228 144207885 A Ac 2,4,6-Trichloronitrobenzene O=[N+]([O-])c1c(Cl)cc(Cl)cc1Cl Tox21_200687 -NCGC00260512-01 196723917 tox21-ror-cho-viability-p1 set3 4 -2.86139834 2.02962029 -6.25116021 3.72519438 -0.88463848 -5.01670894 -4.27074402 1.08187218 2.9723882 2.85918793 -5.61968311 3.0141371 1.58511616 1.02162311 -0.37413373 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.00004125 0.000092249999999 20535-83-5 65275 144210164 A A O6-Methylguanine COc1nc(N)nc2ncnc12 Tox21_202966 -NCGC00164619-02 196723098 tox21-ror-cho-viability-p1 set3 4 0.2371013766 7.5 1.5 9 4.9549173134 0.5376841462 0.1461666889 5.4287539 2.18225934 0.31611029 0.13430604 1.61255759 2.49192926 0.84493366 0.91543773 10.57105541 11.66790847 8.32861785 6.65854869 5.13343901 3.46591533 18.16592872 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 120511-73-1 2187 170464923 A Anastrozole N#CC(C)(C)c1cc(cc(c1)C(C)(C)C#N)Cn2cncn2 Tox21_112238_1 -NCGC00091390-04 196723504 tox21-ror-cho-viability-p1 set3 4 0.54109967 6.37106423 -1.57495181 4.10143102 3.86878113 2.71726159 4.75525246 -2.10937965 -2.25880526 -0.93898691 5.93722921 10.06029285 -4.08603181 1.3574846 4.98883271 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 150-76-5 9015 170464687 F 4-Methoxyphenol Oc1ccc(OC)cc1 Tox21_111125_1 -NCGC00015818-14 196723508 tox21-ror-cho-viability-p1 set3 4 0.2984929481 8.42958176 -3.42958176 5 4.9549173134 0.3913102817 0.2801429638 -7.21367459 -1.10170091 1.32621807 0.24820448 -7.35433472 0.86576755 0.89188973 -16.6079848 5.31606757 4.79841233 5.9039026 3.20601076 -0.74107393 3.34265189 12.51338729 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55268-74-1 4891 170464906 A Praziquantel O=C2CN(CC1c3ccccc3CCN12)C(=O)C4CCCCC4 Tox21_110660_1 -NCGC00256417-01 196726985 tox21-ror-cho-viability-p1 set3 4 2.94914913 -0.62827794 0.12839307 2.45160276 3.68995745 3.74786791 5.24218348 0.03983369 4.6322389 3.23184451 3.51733024 -0.82689718 -0.36302763 -0.39111673 4.56961064 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-19-7 5104 144213159 A A 4-Hydroxy-3-nitrophenylarsonic acid O=[N+]([O-])c1cc(ccc1O)[As](O)(O)=O Tox21_302842 -NCGC00183027-01 196726174 tox21-ror-cho-viability-p1 set3 4 0.1496008549 10.5 4 14.5 0.9999999999 0.3986080058 0.2896789651 3.53345146 2.7225726 2.28070097 6.59430141 10.77476195 0 9.81755747 0 17.68182733 18.5610978 11.5987183 22.48819926 10.66798576 6.88006682 6.0738071 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1421-14-3 15004 144206858 A A Propanidid COc1cc(ccc1OCC(=O)N(CC)CC)CC(=O)OCCC Tox21_113307 -NCGC00256321-01 196726574 tox21-ror-cho-viability-p1 set3 4 -2.82609421 -4.22357231 -6.12606691 -1.60172187 1.91110747 1.56484763 -1.27215079 -3.66290162 0 -1.26968092 0 -1.59528955 -4.03300384 -4.0791955 -2.62668762 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 75-12-7 713 144213141 A A Formamide NC=O Tox21_302824 -NCGC00163930-04 196726585 tox21-ror-cho-viability-p1 set3 4 -2.15270999 -2.97416947 0.26966165 -4.75850662 1.04347322 -0.13022639 4.11730352 0.41271639 4.93488488 3.19010052 4.08794082 0.34538156 2.81125371 0.36481172 0.06879425 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.000001648 0.000003684 0.000008238 0.00001842 0.00004119 0.000092099999999 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00257047-01 196727006 tox21-ror-cho-viability-p1 set3 4 1.59117257 0.75595218 1.35273987 -0.17022056 -0.01850084 0.57133483 0.93197614 1.71902615 1.34379398 3.34712972 3.1772147 1.02230898 -0.98517157 0.41255078 3.15831436 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 115-95-7 8294 144213451 B Ac Linalyl acetate O=C(C)OC(C)(CC\C=C(\C)C)C=C Tox21_303134 -NCGC00255848-01 196728315 tox21-ror-cho-viability-p1 set3 4 1.91216563 -3.07284493 4.30764027 -2.56424785 1.4883211 -0.17098048 1.73867529 2.72524143 4.77187804 1.96625472 2.5729768 -7.03480785 -0.4672114 0.18170356 0.99185839 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-96-4 2140 144212246 A A Diatrizoic acid O=C(C)Nc1c(I)c(c(I)c(NC(C)=O)c1I)C(=O)O Tox21_301929 -NCGC00257551-01 196727918 tox21-ror-cho-viability-p1 set3 1.4 0.0015355304 30 -4 26 4.9549173134 0.6002081633 0.1463054555 0.8236063 25.44604779 15.52889114 21.44867734 26.73062317 31.66659855 29.62191351 30.15618277 26.24658975 14.39157908 30.69502974 30.63105351 20.00963238 20.42073795 7.21722366 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 626-89-1 12296 144211609 A 4-Methylpentan-1-ol CC(C)CCCO Tox21_301292 -NCGC00255814-01 196727921 tox21-ror-cho-viability-p1 set3 4 -0.28747061 -18.89381132 -3.29423666 -23.23545198 -1.70680795 -5.07444239 -2.95848885 -18.32047456 -1.08025281 -0.30418972 -1.17516426 -8.42010945 -1.64966763 -3.33053616 -1.17940314 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-56-1 7149 144212357 A A Styrene glycol OC(CO)c1ccccc1 Tox21_302040 -NCGC00255450-01 196728318 tox21-ror-cho-viability-p1 set3 -2.4 6.8589621897 -23.76058408 3 -20.76058408 4.4494702849 0.9099815446 0.0001896739 0 0.32430535 4.62561169 5.94846446 5.63910535 -1.8994232 8.04157821 5.0407015 -1.86599906 0.33325218 3.11201956 -12.69960792 -19.07773736 -19.00779829 -23.9671534 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2610-11-9 44135445 144211855 Ac C.I. Direct Red 81 disodium salt [Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)/N=N/c2ccc(cc2)/N=N/c3c(O)c4ccc(cc4cc3S([O-])(=O)=O)NC(=O)c5ccccc5 Tox21_301538 -NCGC00256015-01 196728325 tox21-ror-cho-viability-p1 set3 4 2.91746172 -3.70365815 -2.64565179 0.15706595 2.53215098 1.31688316 2.89338777 3.23300239 4.90913952 3.13459314 5.6678028 -5.42134544 -4.56899306 2.33434855 -0.19879081 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3570-55-6 77117 144211919 F A 2,2'-Sulfanediyldiethanethiol SCCSCCS Tox21_301602 -NCGC00255557-01 196728340 tox21-ror-cho-viability-p1 set3 -1.1 2.7306020303 -91.1011301571 -0.4563421309 -91.557472288 2.7202212143 0.9961371742 0 -0.72990727 -3.8500413 2.34702557 2.63312799 -2.1238305 0.87352565 2.63824833 -4.59589671 -5.84905081 -17.01194834 -62.04105726 -91.02405062 -91.92517298 -90.5036369 -89.81848777 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3347-22-6 18771 144212722 F F Dithianon N#CC=1SC3=C(SC=1C#N)C(=O)c2ccccc2C3=O Tox21_302405 -NCGC00255108-01 196728742 tox21-ror-cho-viability-p1 set3 4 -0.9211369 5.25090662 -1.42250062 -2.37338927 -2.46130106 0.7827466 4.68585798 1.88867529 2.63625291 -0.15107992 1.55190389 -6.3920288 -0.26034962 -2.13438408 -0.59506161 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 53-06-5 222786 144211757 A A Cortisone OCC(=O)[C@@]3(O)CC[C@H]2[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4C(=O)C[C@@]23C Tox21_301440 -NCGC00163927-04 196711273 tox21-ror-cho-viability-p1 set2 2.4 62.5631710251 30.0989839441 0.9010160559 31 3.1924983358 0.9148315179 0.0001436573 -0.27735129 4.90880951 0.40389842 0.00960333 4.18990937 -2.58248662 0.366772 2.40621819 1.25087731 -0.16740862 -1.10091473 0.02265779 2.50628719 7.6582476 24.64710666 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00260078-01 196711257 tox21-ror-cho-viability-p1 set2 4 -6.46977003 -3.33978117 -5.7648595 -14.35324039 -3.58947113 -6.69653543 0 0 0 -1.31799722 -2.66113224 0 -20.92659622 -6.1797078 1.37071026 1.27E-9 2.841E-9 6.3519999999E-9 1.42E-8 3.1759999999E-8 7.102E-8 1.588E-7 3.551E-7 7.94E-7 0.0000017749999999 0.00000397 0.000008877 0.00001985 0.00004439 0.00009925 105-06-6 66041 144209727 A Ac 1,4-Divinylbenzene C=Cc1ccc(C=C)cc1 Tox21_202529 -NCGC00260158-01 196711260 tox21-ror-cho-viability-p1 set2 -3 54.8707457568 -38.221868828 2 -36.221868828 3.1924983358 0.9606967327 0.0000022301 0.71547096 -0.64957372 -0.48386089 0.63306726 2.48348361 4.5745376 3.43216454 -0.11886854 3.07686924 2.73203186 1.43222493 4.88688207 1.81850826 -9.72215574 -30.18489069 1.187E-9 2.653E-9 5.9329999999E-9 1.327E-8 2.966E-8 6.633E-8 1.4829999999E-7 3.317E-7 7.416E-7 0.0000016579999999 0.000003708 0.000008291 0.00001854 0.00004146 0.0000927 555-30-6 38853 144209808 Ac A Methyldopa Oc1ccc(C[C@](C)(N)C(=O)O)cc1O Tox21_202610 -NCGC00260461-01 196711269 tox21-ror-cho-viability-p1 set2 4 0.3841393402 -8.934989852 -1 -9.934989852 1.0999999999 0.443086051 0.2481283799 -0.82009075 -7.14817657 0.34576714 -1.47197523 1.88930682 2.54160713 -9.94228561 -1.4402993 -7.45831163 -12.98093685 -1.65333794 -10.72214802 -14.52915821 -8.34176782 14.51120154 1.1759999999E-9 2.631E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.576E-8 1.471E-7 3.288E-7 7.3529999999E-7 0.0000016439999999 0.000003676 0.00000822 0.000018379999999 0.0000411 0.000091909999999 367-12-4 9707 144210113 Z A 2-Fluorophenol Fc1ccccc1O Tox21_202915 -NCGC00260076-01 196711674 tox21-ror-cho-viability-p1 set2 4 1.43462209 -0.69288914 -5.76216999 3.02056927 -4.10615127 -4.27478395 -3.34018052 -4.13017383 -1.12981683 -5.47327265 -5.77370475 -2.74587794 1.60726593 -1.12697801 2.42024073 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.3169999999E-8 2.944E-8 6.583E-8 1.472E-7 3.291E-7 7.3599999999E-7 0.0000016459999999 0.00000368 0.000008228 0.000018399999999 0.000041139999999 0.000092 1271-28-9 62390 144209725 Fns Nickelocene [Ni+2].[c-]1cccc1.c1[c-]ccc1 Tox21_202527 -NCGC00259473-01 196711678 tox21-ror-cho-viability-p1 set2 4 -24.51679301 0.5016497 -3.37798784 -13.55379407 1.03191445 0 0 0.48240765 -1.13679586 0 -4.11076682 -0.88548908 0 4.0325142 -0.45567958 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.2869999999E-7 7.351E-7 0.0000016439999999 0.0000036749999999 0.000008218 0.000018379999999 0.00004109 0.00009188 67-20-9 4509 144209122 A A Nitrofurantoin O=[N+]([O-])c2ccc(/C=N/N1CC(=O)NC1=O)o2 Tox21_201924 -NCGC00258987-01 196706729 tox21-ror-cho-viability-p1 set1 4 0.004292528 -9.5 11 1.5 4.9549173134 0.8337105062 0.0036648039 8.96373333 12.66019142 1.28870362 0.76329611 4.24306958 1.61846484 0.45544744 3.21427754 0.88486277 0 1.37816591 1.08279945 0.81016989 1.01467436 1.83085212 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.552E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.000003662 0.00000819 0.00001831 0.00004095 0.00009156 108-65-6 7946 144208634 A A 1-Methoxy-2-propyl acetate CC(=O)OC(C)COC Tox21_201436 -NCGC00258963-01 196706704 tox21-ror-cho-viability-p1 set1 4 68.5198756601 -12.6242157199 2 -10.6242157199 3.6772481694 0.6374653095 0.0731386992 2.64914055 3.79780345 3.65047544 0.50410829 -1.67992869 2.15028057 2.83847713 -1.47417391 3.6028517 1.71014522 4.76204507 0.75198118 0.73962442 0.21609312 -7.6035131 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 80-54-6 228987 144208610 A A 3-(4-tert-Butylphenyl)-2-methylpropanal CC(C)(C)c1ccc(CC(C)C=O)cc1 Tox21_201412 -NCGC00260007-01 196706713 tox21-ror-cho-viability-p1 set1 4 -0.35201865 0.5223754 4.65779481 0.11186645 7.86743944 0.83136052 0.33856253 2.42282528 -12.27754008 7.12035215 0.50534086 -0.8685539 -3.71717216 -0.34498103 -5.97749666 1.195E-9 2.671E-9 5.973E-9 1.336E-8 2.986E-8 6.678E-8 1.493E-7 3.3389999999E-7 7.466E-7 0.000001669 0.000003733 0.000008347 0.00001866 0.00004174 0.00009332 439-14-5 3016 144209656 A A Diazepam Clc1ccc2c(c1)C(=NCC(=O)N2C)c3ccccc3 Tox21_202458 -NCGC00164127-03 196706721 tox21-ror-cho-viability-p1 set1 -2.1 54.4826732819 -119.221918045 3.0471152303 -116.1748028147 2.3531167061 0.9690624008 5.776E-7 2.96113149 1.3425565 -0.21273064 9.42495173 -0.60614651 0.17921957 2.62666417 2.84705042 3.7947071 10.23811553 2.85172194 3.06907173 -15.58400149 -30.76128263 -91.33239215 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00256961-01 196707126 tox21-ror-cho-viability-p1 set1 4 3.46187554 0.1417065 -0.27796882 -0.19956149 -9.52845083 -9.55161987 -2.5466203 0.17901288 -11.92788961 2.69150246 2.06695576 2.0079363 2.05544431 2.90779541 -12.96771426 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 262-20-4 9217 144213558 A Ac Phenoxathiin c1ccc2Sc3ccccc3Oc2c1 Tox21_303241 -NCGC00257196-01 196707142 tox21-ror-cho-viability-p1 set1 4 27.3060203028 8.767927168 -2.767927168 6 1.0999999999 0.4603565858 0.2172639432 -4.04707966 -4.84247447 -0.60641003 -1.34106054 0.44590021 -1.48118093 -0.25606554 -4.5666714 -7.72327264 -5.17739716 0.75760236 -0.32069307 1.10679824 0.84377729 4.98308386 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-18-5 8168 144213390 Ac Fc N,N-Dimethyldodecan-1-amine CN(C)CCCCCCCCCCCC Tox21_303073 -NCGC00166153-02 196704863 tox21-ror-cho-viability-p1 set1 4 26.6032120037 -7.305433624 1.5 -5.805433624 4.0949729863 0.5408537811 0.1476110874 0.55669114 0.71000848 -0.21652213 5.97502771 1.26949042 1.81949369 0.42880483 0.28685356 1.09558602 -0.74943492 1.67771164 2.79580965 0.64161187 -0.41419965 -5.25452802 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 38083-17-9 37907 170465557 A Climbazole CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2ccnc2 Tox21_112343_1 -NCGC00260132-01 196704051 tox21-ror-cho-viability-p1 set1 -1.2 12.2591969005 -54.6502279479 -1.0896459189 -55.7398738668 2.2526478767 0.9488540716 0.0000230373 -0.48983924 0.6502363 -2.42489265 -3.96133354 1.8511002 -4.73751456 -2.98368703 -1.82406241 0.265816 -0.70755521 -4.36353514 -10.07996844 -49.04535899 -47.68176326 -29.01610444 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.311E-7 7.405E-7 0.000001656 0.000003702 0.000008279 0.00001851 0.00004139 0.00009256 28300-74-5 16682736 144209781 F Antimony potassium tartrate trihydrate [K+].[K+].O.O.O.[O-]C(=O)C2O[Sb]3OC(C(O[Sb]1OC(=O)C2O1)C([O-])=O)C(=O)O3 Tox21_202583 -NCGC00016777-08 196704442 tox21-ror-cho-viability-p1 set1 4 -2.37223643 1.69417345 -1.61289067 0.12736657 -0.23411829 4.59454907 2.0088535 0.12423642 0.28302856 -1.98878106 -1.54569435 0.41205984 2.68158686 1.40320285 2.96622315 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23288-49-5 4912 170464772 A Probucol CC(C)(C)c2cc(SC(C)(C)Sc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)cc(c2O)C(C)(C)C Tox21_110605_1 -NCGC00024870-06 196704467 tox21-ror-cho-viability-p1 set1 4 1.71877786 -2.10358825 -0.74859979 -1.41516728 1.14417698 0.44999001 -1.42843265 0.41841122 0.46087562 1.00235083 5.68976464 -1.33153019 -1.10543723 -0.62272199 7.54899018 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80125-14-0 54477 170466425 A Remoxipride CCN2CCC[C@H]2CNC(=O)c1c(OC)ccc(Br)c1OC Tox21_110934_1 -NCGC00253576-01 196698228 tox21-ror-cho-viability-p1 set1 4 -0.29913116 4.0794495 0.01648766 1.77252798 3.32452994 -1.36674229 3.86193114 0.60514024 0.07401676 1.2958621 1.12338417 0.23774568 0.69689474 -5.3991583 1.32568697 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123013-22-9 135410 170465753 A A Amelometasone COCC(=O)[C@]3(OC(=O)CC)[C@@]4(C)C[C@H](O)C2(F)[C@@H](CCC1=CC(=O)C=C[C@@]12C)[C@@H]4C[C@@H]3C Tox21_113719 -NCGC00091044-02 196697817 tox21-ror-cho-viability-p1 set1 4 65.3244695589 -16.417299936 1 -15.417299936 4.9549173134 0.9226867387 0.0000889186 0.82757854 -0.91536903 1.09706857 1.37282601 2.69192536 0.85679468 0.51393053 -0.90081747 0.61384606 1.70065619 2.22941677 0.86757112 0.39836597 0.5929615 -12.43108328 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00164503-02 196697828 tox21-ror-cho-viability-p1 set1 -2.1 26.6032120037 -95.1486256736 -0.976352634 -96.1249783076 2.5334283767 0.989623017 1E-9 -0.48391713 2.77490641 -0.22074344 0.18874303 -4.74266074 1.17783322 -2.567391 1.38884099 -4.85011587 -0.12567152 0.19036235 -3.40391371 -7.3162277 -34.16461174 -76.98861993 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15518-87-3 71873 170466551 A Myralact OCCNCCCCCCCCCCCCCC.O=C(O)C(C)O Tox21_112141_1 -NCGC00093985-11 196697835 tox21-ror-cho-viability-p1 set1 4 0.89184834 5.76779008 2.69600703 -0.14851922 -0.66475209 1.70685405 0.63337693 3.98923317 -0.30653464 1.39792833 3.29222571 6.55332566 6.14472979 1.89011719 1.38726782 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17560-51-9 4170 170464665 A Metolazone NS(=O)(=O)c1cc2C(=O)N(C(C)Nc2cc1Cl)c3ccccc3C Tox21_110186_1 -NCGC00090874-04 196698247 tox21-ror-cho-viability-p1 set1 4 0.04515325 0.42969755 1.58830076 6.67475576 0.65954314 4.87328515 -1.43480331 0.74434044 4.83720189 -1.0272193 0.95701505 4.98798024 0.03382066 0.83691015 -2.63114542 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00165883-04 196698656 tox21-ror-cho-viability-p1 set1 4 3.499612 6.04136268 2.32639203 2.05105098 4.61956782 3.84401417 2.52506415 12.13843677 2.72570083 3.21216134 2.57204605 6.07736346 5.48761236 1.56848962 4.80324347 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 106308-44-5 129228 170465202 A Rufinamide NC(=O)c2cn(Cc1c(F)cccc1F)nn2 Tox21_112267_1 -NCGC00023064-05 196698659 tox21-ror-cho-viability-p1 set1 4 0.82111412 -5.33789305 0.41064208 -3.64292626 -2.4640931 0.77432792 -1.86339425 2.1628238 -0.36407191 -1.16318278 2.58533963 0.35627802 -4.91339157 2.06579565 -3.59355802 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 520-85-4 10631 170466063 A Medroxyprogesterone CC(=O)[C@@]3(O)CC[C@H]2[C@@H]4C[C@H](C)C1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_113401_1 -NCGC00015075-10 196698660 tox21-ror-cho-viability-p1 set1 4 0.21462325 8.64465805 3.71853535 2.92502112 0.78387833 2.89536138 3.23755693 1.34303304 -0.63420664 -0.38234872 3.06731463 5.04060224 0.84542313 -0.17400333 6.96946798 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63-75-2 2230 170466659 A Arecoline CN1CC(=CCC1)C(=O)OC Tox21_110079_1 -NCGC00091205-03 196699062 tox21-ror-cho-viability-p1 set1 4 -1.14577757 1.77212128 -0.54247315 -1.56697704 0.02053096 -0.99163176 0 -0.74182185 -0.9977807 -1.07718348 1.33834848 -0.33756573 0.19775948 -0.38158382 -0.4692001 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00260286-01 196703573 tox21-ror-cho-viability-p1 set1 4 0.6574063446 7.7985852639 -2.2985852639 5.5 3.0654483358 0.3749405025 0.3125527613 -1.38595148 -0.19181299 -0.2750393 -0.01889163 0.80288019 0.73173148 -16.91548772 -0.24763444 -1.32859567 -3.07500184 4.96341047 6.62822141 5.2265693 4.64927259 0.21414107 2.973E-10 6.648E-10 1.4859999999E-9 3.324E-9 7.432E-9 1.662E-8 3.7159999999E-8 8.3099999999E-8 1.8579999999E-7 4.155E-7 9.29E-7 0.0000020769999999 0.0000046449999999 0.00001039 0.00002323 112-75-4 8211 144209936 Fns N,N-Dimethyltetradecylamine CN(C)CCCCCCCCCCCCCC Tox21_202738 -NCGC00090704-03 196703572 tox21-ror-cho-viability-p1 set1 4 -0.38967232 3.40329811 2.29984724 1.9055682 1.56139302 1.19193847 -0.38196066 1.54354895 4.82835533 0.27123771 0.92227103 0.48662499 -5.12003463 -1.64032234 -0.10428035 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00260181-01 196703578 tox21-ror-cho-viability-p1 set1 4 -0.06927263 -3.80409251 1.95044127 -0.15054405 0.99883598 -0.14299101 -0.67107969 -0.09604633 2.55753163 -4.99267382 0.149072 0.06621645 -0.11915605 0.53281169 -4.65530355 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.309E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008272 0.0000185 0.00004136 0.00009248 98892-76-3 60196374 144209831 F 1-Ethyl-2,3-dimethylimidazolium bromide Br.CN1C=CN(CC)C1C Tox21_202633 -NCGC00090780-04 196698595 tox21-ror-cho-viability-p1 set1 4 0.98911452 -0.99711356 0.86293409 1.64142593 1.65648909 0.10822696 0.28325702 2.29524794 1.74312732 1.75267776 1.8346369 1.18674528 1.07072435 -1.84326361 0.95397609 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00159491-04 196698186 tox21-ror-cho-viability-p1 set1 4 0.65731923 0.33092371 -1.07748711 -3.41816429 -1.51318288 -1.19717197 0.18452071 -0.18359598 -1.67171885 -1.90645971 -0.14851652 1.11163055 0.70643103 4.16311505 -0.09040599 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1501-84-4 15165 170465164 A Rimantadine Cl.CC(N)C12CC3CC(C1)CC(C2)C3 Tox21_111712_1 -NCGC00095133-06 196698199 tox21-ror-cho-viability-p1 set1 4 0.82466722 -4.3899286 -7.72070561 0.3079624 -3.93902163 -3.2538905 0.36881052 -0.70163772 -3.67038075 -3.17349563 0.09154489 -2.64570805 1.01377085 -2.93415483 0.50537134 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104227-87-4 3324 170464774 A Famciclovir CC(=O)OCC(COC(C)=O)CCn2cnc1cnc(N)nc12 Tox21_111442_1 -NCGC00015014-11 196698592 tox21-ror-cho-viability-p1 set1 4 1.19763806 6.88122965 1.3299146 0.26352848 4.01450443 1.78890927 4.39650161 4.39914294 2.62274694 0.63018265 3.25714735 7.11506073 2.12211337 1.98930724 2.90117063 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 968-81-0 1989 170465411 A Acetohexamide O=C(NC1CCCCC1)NS(=O)(=O)c2ccc(cc2)C(C)=O Tox21_110067_1 -NCGC00061506-03 196698601 tox21-ror-cho-viability-p1 set1 4 3.62141491 7.48398282 6.53167631 5.71212236 3.76948629 0.86562174 5.56596342 6.78759509 1.1281903 2.83304691 3.98907741 -0.41757291 0.87047742 5.77461026 0.95356905 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 29876-14-0 65768 170466343 A Nicotredole O=C(NCCc2cnc1ccccc12)c3cccnc3 Tox21_110977_1 -NCGC00015882-15 196698613 tox21-ror-cho-viability-p1 set1 4 3.46216724 4.39574948 1.09134196 0.68683538 1.19063323 -0.73165544 3.26175352 3.51032859 2.61351009 -0.99744888 2.11736506 1.13996429 2.00985525 -4.04441287 -1.73181316 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1744-22-5 5070 170464928 A Riluzole FC(F)(F)Oc1ccc2nc(N)sc2c1 Tox21_110252_1 -NCGC00016329-07 196698617 tox21-ror-cho-viability-p1 set1 4 0.86443036 1.89487319 3.96360416 0.31600321 3.39254788 1.66805957 0.33460697 -0.74792073 0.41834679 1.05101591 0.28908294 0.4389065 1.95938124 0.40443519 3.07417889 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83-12-5 4760 170465130 F Phenindione O=C2c1ccccc1C(=O)C2c3ccccc3 Tox21_110375_1 -NCGC00254512-01 196699017 tox21-ror-cho-viability-p1 set1 4 3.11300411 -0.94431423 0.58824063 -0.75049325 0.01664039 -3.81896971 -2.55525361 -2.2387128 4.41723427 0.21837633 3.2476758 4.63840484 5.97654695 2.95517123 -0.98066956 1.1139999999E-9 2.49E-9 5.568E-9 1.2449999999E-8 2.784E-8 6.226E-8 1.3919999999E-7 3.113E-7 6.9599999999E-7 0.000001556 0.0000034799999999 0.000007782 0.0000174 0.000038909999999 0.000087 54-62-6 169371 144210944 D 4-Aminofolic acid O=C(O)[C@H](CCC(=O)O)NC(=O)c1ccc(cc1)NCc2nc3c(nc2)nc(N)nc3N Tox21_300627 -NCGC00254562-01 196699025 tox21-ror-cho-viability-p1 set1 4 -0.91917166 -1.11200371 -1.74450752 -2.89169128 -0.25824921 -0.75352194 -2.52709153 -1.10173098 -0.38008574 -2.19378932 -1.32462786 -2.47199279 -5.13287846 -0.33898468 -0.71523141 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 454-92-2 9963 144210971 A A 3-(Trifluoromethyl)benzoic acid FC(F)(F)c1cccc(c1)C(=O)O Tox21_300654 -NCGC00254479-01 196699425 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -13.74964012 0 -13.74964012 4.9549173134 0.6223565689 0.0826727648 0.33032058 0.76459923 1.2315715 -0.40353928 -5.65279282 -0.12960284 2.49554656 0.62136651 -0.68955877 -3.79656155 0.40080543 0.1872073 1.95436712 0.20946056 -10.6247001 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 253450-09-8 156328 144210754 A A Besonprodil Fc1ccc(cc1)CC2CCN(CC2)CCS(=O)c3ccc4NC(=O)Oc4c3 Tox21_300436 -NCGC00090858-02 196729172 tox21-ror-cho-viability-p1 set3 -2.4 12.1971512362 -30.1223097919 0.5 -29.6223097919 2.2526478767 0.8966036119 0.000680427 0 -1.92403597 -0.78453097 -1.31743464 -1.27150658 -0.42612441 -1.14559315 7.67747273 -2.25538295 6.97666279 -1.34524285 -7.80956415 -21.73736726 -27.18525816 -12.19095435 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00257858-01 196729563 tox21-ror-cho-viability-p1 set3 -2.2 54.5380840886 -69.812368998 -3.141092946 -72.953461944 1.6266150999 0.9427996927 0.0000174773 -2.39331471 -3.6597183 -2.98239497 1.14315526 0.14729284 -4.14110612 -5.07055702 -2.52028058 -2.6461596 -12.47628143 -4.03132583 -1.46484498 -17.21383289 -27.27757115 -55.2677742 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.476E-7 3.302E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.000092279999999 21829-25-4 4485 144207502 B B Nifedipine CC=1NC(C)=C(C(C=1C(=O)OC)c2ccccc2[N+]([O-])=O)C(=O)OC Tox21_200304 -NCGC00255895-01 196729159 tox21-ror-cho-viability-p1 set3 -2.4 61.130564862 -31.744847608 1.5 -30.244847608 3.6272481694 0.8818348417 0.0007352736 -2.05568437 2.92653528 3.93836305 -1.51480555 0.16357651 3.56917561 0.4481456 6.34124682 3.45087295 1.03549036 -2.88708156 2.74183568 0.85249946 -4.44891578 -24.37070634 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 54982-83-1 41270 144212523 F A 1,4-Dioxacyclohexadecane-5,16-dione O=C1CCCCCCCCCCC(=O)OCCO1 Tox21_302206 -NCGC00255197-01 196729171 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -19.9203896919 -0.5 -20.4203896919 4.0449729863 0.8040309017 0.0073929493 -1.08453421 5.29901975 -0.47434829 -2.09015051 -0.58259085 -0.24956895 -1.85173921 -1.53380661 0.5854785 -0.30843173 -1.17386485 -2.81830049 -2.85794365 -2.47802129 -15.76699141 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58-72-0 6025 144212742 A F Triphenylethylene C(/c1ccccc1)=C(/c2ccccc2)c3ccccc3 Tox21_302425 -NCGC00258104-01 196729569 tox21-ror-cho-viability-p1 set3 4 0.0048557734 -12.3674690799 11 -1.3674690799 0.6 0.5790607133 0.1134947192 7.77836169 6.87314902 3.44888667 0.24485051 1.25745789 4.72100488 0.88232843 -1.31058616 1.38808474 -2.10618541 -6.9728909 -4.57495737 -0.05327573 1.32599379 0.38579708 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 611-99-4 69150 144207748 A A 4,4'-Dihydoxybenzophenone O=C(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_200550 -NCGC00257872-01 196729572 tox21-ror-cho-viability-p1 set3 4 -5.52301428 2.38358019 -0.4133718 -5.86506983 -4.94700318 -2.10615159 2.26925073 -25.24548744 0 -18.34332058 0 0 -6.56269477 -1.18003526 2.54042802 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.331E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 4659-45-4 78392 144207516 F 2,6-Dichlorobenzoyl chloride O=C(Cl)c1c(Cl)cccc1Cl Tox21_200318 -NCGC00163930-04 196729574 tox21-ror-cho-viability-p1 set3 4 -7.5309523 -0.19916455 -1.26720588 -1.97748255 -5.28090263 0.6706837 1.35394462 0.50352055 -1.85250723 5.23381604 -5.96968865 -0.9933471 -1.30176136 1.37723887 2.89403393 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00258597-01 196729576 tox21-ror-cho-viability-p1 set3 4 2.05934399 0.63062215 -0.48903372 1.69197118 2.68497383 0.13021004 3.3283466 3.36126711 4.73043614 0.82430859 1.31959 -0.51323308 0.46054233 1.77595435 -1.95491847 1.172E-9 2.621E-9 5.862E-9 1.311E-8 2.931E-8 6.554E-8 1.465E-7 3.277E-7 7.327E-7 0.0000016379999999 0.000003664 0.000008192 0.00001832 0.00004096 0.00009159 98-37-3 7385 144208242 A A 2-Amino-1-phenol-4-sulfonic acid Oc1ccc(cc1N)S(O)(=O)=O Tox21_201044 -NCGC00091483-03 196729578 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -23.732234496 -0.5 -24.232234496 4.9549173134 0.7219499061 0.0291594193 0.74454147 -1.18237654 1.18258394 -2.21141725 0.62617422 3.25952667 -0.66720537 -1.74700865 -9.22343487 -0.22846775 1.51255617 -0.36885752 -2.33966473 0.04070765 -18.52686208 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00258661-01 196729580 tox21-ror-cho-viability-p1 set3 4 3.35157478 -2.37245317 2.48667354 1.54316255 1.35970373 -0.15289682 2.28447526 1.61874671 3.46109256 -0.18382831 -0.59997345 1.42689398 -2.91120922 -0.33549716 1.00786952 1.218E-9 2.7239999999E-9 6.091E-9 1.3619999999E-8 3.045E-8 6.81E-8 1.5229999999E-7 3.405E-7 7.6129999999E-7 0.000001702 0.0000038069999999 0.000008512 0.00001903 0.00004256 0.00009517 630-20-6 12418 144208307 AC Ac 1,1,1,2-Tetrachloroethane ClCC(Cl)(Cl)Cl Tox21_201109 -NCGC00257748-01 196729585 tox21-ror-cho-viability-p1 set3 4 0.72945912 1.19139743 -0.130273 0.07407232 1.33833784 0.11275305 2.46241175 4.18318589 3.86592797 3.03137035 -1.15267648 0.09333117 1.96629084 1.25290301 1.27893048 1.1989999999E-9 2.6809999999E-9 5.9959999999E-9 1.3409999999E-8 2.998E-8 6.703E-8 1.4989999999E-7 3.352E-7 7.495E-7 0.000001676 0.000003747 0.0000083789999999 0.000018739999999 0.000041899999999 0.00009368 107-96-0 6514 144207392 A A 3-Mercaptopropanoic acid O=C(O)CCS Tox21_200194 -NCGC00258454-01 196729993 tox21-ror-cho-viability-p1 set3 4 10.9038958243 9.6102554999 -5.6102554999 4 2.2526478767 0.655188859 0.0615437517 -0.14529421 -6.10294694 -7.00531177 -7.86457007 -6.3875745 -5.9439153 -5.36252612 -8.00854625 -4.07592522 -2.77022033 -3.80403749 -5.74324498 6.6731243 2.11610249 2.98553144 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.613E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.00001848 0.00004133 0.00009242 29676-71-9 34665 144208098 FNS 2-Amino-4-thiazoleacetic acid OC(=O)Cc1csc(N)n1 Tox21_200900 -NCGC00258894-01 196708374 tox21-ror-cho-viability-p1 set2 -2.4 66.0169531251 -29.092168048 1.5 -27.592168048 4.9549173134 0.9540650749 0.0000053235 2.76882589 -0.20969679 1.46969559 1.63882091 2.36887948 3.28122617 2.26044666 2.89530874 -0.04193435 -1.09536639 0.36859206 1.35273244 -0.25623803 -0.22656027 -22.16014004 1.1429999999E-9 2.555E-9 5.713E-9 1.277E-8 2.857E-8 6.3869999999E-8 1.428E-7 3.194E-7 7.141E-7 0.000001597 0.000003571 0.000007984 0.00001785 0.00003992 0.000089269999999 577-11-7 23673837 144208540 A A Docusate sodium [Na+].O=S(=O)([O-])C(CC(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC Tox21_201342 -NCGC00256358-01 196707958 tox21-ror-cho-viability-p1 set1 4 -7.09462522 -11.95249819 -5.43515642 -0.12619439 -4.2590524 1.31765218 -3.9648231 -14.98144066 -13.17609147 -6.38406079 -11.78809413 -3.59684662 -15.03095801 0.04669012 -6.87508934 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 636-21-5 12484 144213089 A B 2-Methylaniline hydrochloride Cl.Cc1ccccc1N Tox21_302772 -NCGC00257430-01 196707966 tox21-ror-cho-viability-p1 set1 -1.2 0.968854161 -25.4058800407 -6.534686184 -31.9405662247 1.0999999999 0.9061142627 0.0002346342 -4.31902776 -4.46627815 -15.2510421 -2.94557182 -4.71312427 -9.17516947 -9.87821333 -9.51777208 -20.31105112 -21.92224957 -27.08796415 -27.1330634 -35.23584924 -34.4490231 -27.96891209 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66-81-9 6197 144213954 A A Cycloheximide O=C2CC(C[C@@H](O)[C@@H]1C[C@@H](C)C[C@H](C)C1=O)CC(=O)N2 Tox21_303652 -NCGC00257282-01 196707973 tox21-ror-cho-viability-p1 set1 4 54.4826732819 12.204216748 -7.704216748 4.5 3.6772481694 0.3238190691 0.3457310712 -7.83194986 -3.41395934 -3.35021524 -8.62264386 -10.50295666 -6.78244936 -3.0590409 -2.35713031 -15.58684729 -14.73803802 -12.22696642 -6.21120489 -7.02004681 -4.56272138 2.75977692 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1632-73-1 15406 144213806 A A Fenchol CC12CCC(C1)C(C)(C)C2O Tox21_303498 -NCGC00091011-05 196708389 tox21-ror-cho-viability-p1 set2 2.1 48.5577336745 127.6119061452 0.8026841478 128.414590293 1.8616924601 0.986450714 4.9E-9 2.119677 0.4550419 -4.68557423 -2.33426122 0.59706138 0.58134859 0.92937378 1.9003989 0.20025819 2.39051729 5.79949652 8.93587624 20.93680872 47.40865157 102.4039795 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00258921-01 196708784 tox21-ror-cho-viability-p1 set2 4 0.69058012 0.04267047 3.18242857 4.6595321 -0.41121672 0.09502381 0.25455449 0.24824279 -0.35007993 1.84095301 2.27292578 0.96805198 1.20224725 0.38917708 -0.21669305 1.19E-9 2.661E-9 5.95E-9 1.331E-8 2.975E-8 6.653E-8 1.4879999999E-7 3.326E-7 7.438E-7 0.000001663 0.000003719 0.000008316 0.00001859 0.00004158 0.00009297 78-42-2 6537 144208567 A F Tris(2-ethylhexyl) phosphate CCCCC(COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC)CC Tox21_201369 -NCGC00258845-01 196708788 tox21-ror-cho-viability-p1 set2 4 0.8945876 -6.00904958 -0.25918222 -5.85399884 -0.33207361 -2.4872508 -3.27009632 -0.88638995 -2.87346623 -2.16855582 1.85004982 -3.43128422 -1.83208076 -4.75747945 -7.18419684 1.197E-9 2.677E-9 5.987E-9 1.339E-8 2.993E-8 6.693E-8 1.497E-7 3.347E-7 7.4829999999E-7 0.000001673 0.000003742 0.000008366 0.00001871 0.00004183 0.00009354 59-50-7 1732 144208491 A A 4-Chloro-3-methylphenol Oc1ccc(Cl)c(C)c1 Tox21_201293 -NCGC00259422-01 196708793 tox21-ror-cho-viability-p1 set2 4 0.66768494 2.23374614 2.60774042 -0.57831932 0.05503186 4.48399383 2.85580354 -0.6660852 3.91256926 4.99150283 -2.23046928 5.69920872 4.47132113 0.20414126 4.37066643 1.159E-9 2.5929999999E-9 5.797E-9 1.2959999999E-8 2.8989999999E-8 6.481E-8 1.449E-7 3.241E-7 7.246E-7 0.00000162 0.000003623 0.000008102 0.00001812 0.00004051 0.000090579999999 62-56-6 2723790 144209071 Thiourea NC(N)=S Tox21_201873 -NCGC00256610-01 196707168 tox21-ror-cho-viability-p1 set1 4 2.72374822 1.46309545 -5.40393375 0.4669748 2.34414705 -2.38528047 -0.16022202 0.90124334 2.45482839 2.27486667 1.05440252 3.341522 1.60496326 5.02138875 0.52519428 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5949999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004246 0.00009493 2437-25-4 17092 144213238 F Ac Dodecanenitrile CCCCCCCCCCCC#N Tox21_302921 -NCGC00256972-01 196707152 tox21-ror-cho-viability-p1 set1 4 0.69341281 -14.86020634 -7.37033393 -7.45459576 -3.55391055 -6.11854945 -7.47871763 -5.23909722 -16.82833221 -14.97860814 -5.89693751 -13.84915861 -8.15392454 -11.73667198 -4.72101178 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-32-7 6966 144213435 F Ac 1H,3H-Benzo(1,2-c:4,5-c')difuran-1,3,5,7-tetrone O=C2OC(=O)c1cc3c(cc12)C(=O)OC3=O Tox21_303118 -NCGC00256463-01 196707166 tox21-ror-cho-viability-p1 set1 4 1.9216516 -0.29909612 3.04533818 -1.85749241 -3.99422654 -0.00726143 5.73561559 5.74351473 -1.9322705 -10.99268335 -0.24637731 0.38915091 5.94209509 -1.98999505 -5.8438888 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 505-52-2 10458 144213299 A A Tridecanedioic acid O=C(O)CCCCCCCCCCCC(=O)O Tox21_302982 -NCGC00257036-01 196707167 tox21-ror-cho-viability-p1 set1 4 -1.23405416 -12.85040403 -8.13450769 -9.13509335 -9.91105084 -12.69118805 -15.55570324 -11.22344063 -18.93081455 -10.05645827 -6.64950175 -1.55555871 -11.55583764 -10.9524215 -1.64624731 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 108-98-5 7969 144213574 F Ac Benzenethiol Sc1ccccc1 Tox21_303257 -NCGC00256088-01 196700741 tox21-ror-cho-viability-p1 set1 4 -0.35489935 -2.59019667 -2.484893 0.97452003 1.25185042 -3.11429608 -1.37893166 0.75375773 -8.8750285 -3.49983871 1.71162315 -1.3991131 -4.83862948 -6.07559558 -2.80903229 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1985-51-9 16135 144211980 A Fc 2,2-Dimethylpropane-1,3-diyl bis(2-methylprop-2-enoate) O=C(OCC(C)(C)COC(=O)C(=C)C)C(=C)C Tox21_301663 -NCGC00255378-01 196700317 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -10.856598276 1 -9.856598276 4.9549173134 0.6782736955 0.0505483249 4.68134954 1.75222528 1.27153394 1.10969341 0.62195765 -0.46441541 0.74657426 0.89147908 0.44248443 -1.06009004 0.15588149 -0.46841673 0.76683954 0.61049315 -6.54716523 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4802-20-4 20936 144212212 F F Dipentenedimercaptan CC1CCC(CC1S)C(C)CS Tox21_301895 -NCGC00255667-01 196700726 tox21-ror-cho-viability-p1 set1 4 68.5896218971 14.0908920119 -0.5908920119 13.5 4.9549173134 0.8532576315 0.0020942989 -2.58353645 0.83130963 -0.62224578 -1.09995964 -0.75672094 1.56221242 0.27652339 -1.40527683 -1.17960077 -2.99241001 -0.12152614 -2.04992788 0.04098252 -0.36622556 10.91697742 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 827-21-4 23677979 144212083 A A Sodium m-xylene-4-sulfonate [Na+].Cc1cc(C)ccc1S(=O)([O-])=O Tox21_301766 -NCGC00255800-01 196700731 tox21-ror-cho-viability-p1 set1 4 68.5896218971 12.0825093719 -1.5825093719 10.5 4.9549173134 0.5798276535 0.113562277 -2.94874313 0.96107265 0.3530784 0.04441601 -1.2169475 1.92705263 -4.31587872 -5.06875781 -0.70102786 -1.21012675 -3.43632441 1.55305236 -2.757108 -1.09154693 8.35573733 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3731-52-0 31018 144212391 F F 3-(Aminomethyl)pyridine NCc1cccnc1 Tox21_302074 -NCGC00255609-01 196700745 tox21-ror-cho-viability-p1 set1 4 61.130564862 -35.580674052 -1.5 -37.080674052 3.1924983358 0.6127785597 0.0877772901 -2.67498579 -21.9807168 3.18676145 0.30427898 -0.17081254 0.37910539 2.6459441 1.59973556 0.12001103 -0.19343121 0.33156297 0.00749059 -2.3758443 -9.3831825 -29.65056171 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-06-8 6624 144211775 A A Chlorfenethol OC(C)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_301458 -NCGC00255462-01 196701143 tox21-ror-cho-viability-p1 set1 4 0.74844462 -4.29541545 -1.52577058 -3.97557625 -1.24893049 1.53168545 -5.9841286 0.34090627 0.55379637 -1.96571395 -1.99552292 -1.23765591 -0.23812085 -4.99444184 -1.15746433 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 71868-10-5 92387 144211981 A A 2-Methyl-4'-(methylthio)-2-morpholinopropiophenone CC(C)(N1CCOCC1)C(=O)c2ccc(SC)cc2 Tox21_301664 -NCGC00257868-01 196702414 tox21-ror-cho-viability-p1 set1 -3 0.6094411229 -96.9433568055 -4.94209499 -101.8854517955 4.9549173134 0.9713420444 0.0004062044 -9.19665544 -1.11227287 -3.06328225 -8.96335153 -4.94326427 -9.93977455 -1.44786204 -3.21027379 -77.18594833 4.00030061 -1.6554131 -6.46563652 -14.67016232 -3.26535152 -0.20857207 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.5809999999E-8 1.472E-7 3.291E-7 7.358E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.00004113 0.00009198 39025-24-6 6439929 144207512 A A Guggulsterone E C\C=C4\C(=O)C[C@@H]3[C@]4(C)CC[C@H]2[C@H]3CCC1=CC(=O)CC[C@@]12C Tox21_200314 -NCGC00258656-01 196702017 tox21-ror-cho-viability-p1 set1 4 5.77434328 -1.00623727 2.72748668 5.73631148 1.92549692 6.21176296 6.14393111 4.29051118 4.37779085 2.90811335 -1.22102827 0.14619938 0.52383893 -0.96178137 5.13265793 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004127 0.00009229 65-86-1 967 144208302 A A Orotic acid OC(=O)c1cc(O)nc(O)n1 Tox21_201104 -NCGC00257920-01 196702020 tox21-ror-cho-viability-p1 set1 4 0.0198631775 -7.658015348 -1.5 -9.158015348 0.5 0.3895087688 0.3013925907 -5.57436693 0.90221503 -5.85241263 -4.64723695 -9.34569921 -2.8502742 -8.17568832 -7.04095094 -9.74652277 -4.62467539 -12.21501279 -8.7266962 -9.38495609 -7.68115524 -6.29276263 1.2069999999E-9 2.7E-9 6.037E-9 1.3499999999E-8 3.0179999999E-8 6.75E-8 1.509E-7 3.375E-7 7.546E-7 0.000001687 0.000003773 0.0000084369999999 0.00001887 0.00004218 0.00009433 80-39-7 6637 144207564 A A N-Ethyl-4-methylbenzenesulfonamide Cc1ccc(cc1)S(=O)(=O)NCC Tox21_200366 -NCGC00258617-01 196702022 tox21-ror-cho-viability-p1 set1 4 8.28671249 4.3992071 0.8353523 7.62219599 6.19236719 7.40890568 3.13076562 2.16026089 7.81153523 2.47214489 -0.1162189 0.68374195 7.72287685 2.38937557 6.1477469 1.188E-9 2.656E-9 5.9389999999E-9 1.3279999999E-8 2.9699999999E-8 6.64E-8 1.4849999999E-7 3.32E-7 7.4239999999E-7 0.0000016599999999 0.000003712 0.0000083 0.00001856 0.0000415 0.000092799999999 100-41-4 7500 144208262 FNS Ethylbenzene CCc1ccccc1 Tox21_201064 -NCGC00258214-01 196702418 tox21-ror-cho-viability-p1 set1 4 0.0022331174 -11.194869556 0.741227868 -10.453641688 3.6272481694 0.3916874328 0.2812155529 -0.63231011 -6.53099694 -10.63848073 -11.65547365 -7.15124025 -14.18577751 -15.37803474 -5.35498703 -7.63201314 -9.86626069 -13.75984939 -13.76170985 -11.89822532 -9.89158015 -3.88100218 1.2089999999E-9 2.7039999999E-9 6.047E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.0000189 0.00004225 0.00009448 75-57-0 6379 144207858 A Tetramethylammonium chloride [Cl-].C[N+](C)(C)C Tox21_200660 -NCGC00258526-01 196702420 tox21-ror-cho-viability-p1 set1 4 6.4150055065 7.223628584 -4.223628584 3 4.9549173134 0.5300278693 0.1529937882 -7.75271001 -4.74631826 -9.35302382 -2.11163309 -7.03333445 -2.45114598 0.60363437 -2.38673265 -1.25732835 -3.53168811 -8.67688091 1.79442881 4.87046463 -0.44298308 4.88616071 1.1159999999E-9 2.494E-9 5.5779999999E-9 1.247E-8 2.789E-8 6.236E-8 1.394E-7 3.118E-7 6.972E-7 0.0000015589999999 0.000003486 0.0000077949999999 0.000017429999999 0.000038979999999 0.00008715 2664-63-3 17570 144208171 A A 4,4'-Thiodiphenol Oc1ccc(cc1)Sc2ccc(O)cc2 Tox21_200973 -NCGC00255827-01 196700681 tox21-ror-cho-viability-p1 set1 4 2.58881813 -1.85029534 1.11354698 -1.63940513 2.14905195 0.67516871 2.86939151 0.40617358 1.4266638 0.29314844 -0.536172 1.54789124 2.9060749 4.08481774 2.79444153 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24353-61-5 90479 144211645 A A Isocarbophos S=P(N)(Oc1ccccc1C(=O)OC(C)C)OC Tox21_301328 -NCGC00090962-05 196700278 tox21-ror-cho-viability-p1 set1 4 30.4510110097 -15.3327903639 -1.5 -16.8327903639 3.5722481694 0.7720879763 0.0136451418 -5.44357774 0.53864094 -1.35364366 4.95859679 -0.65788252 -1.20130527 1.05579956 -5.53687275 -0.79462369 -4.38137083 -2.12850018 -0.80578658 -3.67936306 -12.70562465 -16.94399197 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00255403-01 196700679 tox21-ror-cho-viability-p1 set1 4 -3.37995963 1.03957777 1.7438589 1.44683186 -0.56094442 1.93461124 2.47219398 1.0920596 -2.92956388 2.76019151 -3.52970908 -3.76816278 -5.78323215 0.10854338 -4.54713591 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65405-77-8 5371102 144212009 A F (3Z)-Hex-3-en-1-yl salicylate Oc1ccccc1C(=O)OCC/C=C\CC Tox21_301692 -NCGC00255628-01 196700688 tox21-ror-cho-viability-p1 set1 4 34.3762428541 7.662547676 -1.162547676 6.5 2.3531167061 0.4839472042 0.1955578095 -1.57331566 -4.79125169 -0.85417057 -5.96878973 0.67607462 1.44171385 0.21705759 -0.23857648 -0.37811253 1.60058832 -4.80326876 -0.43755232 0.63980298 3.2374163 6.20341078 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 20711-10-8 5367692 144212521 A F (Z)-11-Tetradecenyl acetate CC(=O)OCCCCCCCCCC/C=C\CC Tox21_302204 -NCGC00159417-06 196700689 tox21-ror-cho-viability-p1 set1 -2.1 49.6956931991 -107.9425286211 -0.338890655 -108.2814192761 2.0478617061 0.9853110782 7.9E-9 -3.21180653 1.39306281 -2.23945788 3.62886848 -2.09581295 -0.16442037 -2.4324718 -1.56889715 -0.04552203 -1.55343025 2.4825522 3.66166142 -17.83629922 -44.94519873 -84.72724513 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00024810-07 196698216 tox21-ror-cho-viability-p1 set1 4 2.41552443 2.3338485 0.46904774 0.73459316 4.76125284 3.26983494 1.47648263 1.59496002 2.3548341 0.18068204 4.08645008 0.83482522 1.07537431 0.95795148 3.18261394 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6673-35-4 4883 170466619 A Practolol CC(C)NCC(O)COc1ccc(cc1)NC(C)=O Tox21_110928_1 -NCGC00168352-02 196697805 tox21-ror-cho-viability-p1 set1 4 29.8492948118 -13.83936548 -1.5 -15.33936548 1.4641 0.7549765431 0.0184877318 -2.05087543 -1.8041975 0.30763178 -0.81160043 -3.14217107 0.00050358 -1.75516065 -1.56560475 -3.74351899 -0.03380242 -0.38370556 -4.56277809 -0.66921012 -6.88602707 -11.1161379 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7696-12-0 83975 170466513 I Tetramethrin C\C(C)=C/C3C(C(=O)OCN2C(=O)C=1CCCCC=1C2=O)C3(C)C Tox21_112623_1 -NCGC00016239-04 196697807 tox21-ror-cho-viability-p1 set1 4 -1.28970734 -4.61994502 -3.3289205 1.35703644 -2.8193959 -1.38417381 1.65914618 -2.67979692 -2.73769388 0.9977247 -0.59320807 1.12006548 -2.59594557 -0.07015053 2.53589507 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53-46-3 5883 170465350 Z Methantheline bromide [Br-].CC[N+](C)(CC)CCOC(=O)C1c3ccccc3Oc2ccccc12 Tox21_110320_1 -NCGC00160437-03 196698213 tox21-ror-cho-viability-p1 set1 4 -1.92755815 -0.19390007 0.06210718 1.28920548 -0.00794892 -1.02363854 -3.924652 -2.45327339 -1.26148938 -4.2379217 -4.97326324 0.11305501 1.22935709 0.96426728 0.84533335 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1213-06-5 14604 170466335 A Ethebenecid O=S(=O)(N(CC)CC)c1ccc(cc1)C(=O)O Tox21_111810_1 -NCGC00160508-03 196698217 tox21-ror-cho-viability-p1 set1 4 0.359793 -1.0689842 -2.639065 1.52925659 -0.52338716 -3.7831361 -1.35814905 0.56458557 -0.69803594 -1.15565976 -2.90923518 -2.58912269 -0.69943237 -3.0087526 1.27456981 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 652-67-5 12597 170465187 F Isosorbide O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12 Tox21_111861_1 -NCGC00164487-02 196698226 tox21-ror-cho-viability-p1 set1 4 0.2399864 2.34464422 -0.20636156 2.42052135 4.12594166 2.06208644 -1.25877493 -0.55150322 1.17820087 -0.16371489 0.46863856 2.50432209 -0.59044461 1.6367369 -1.3176319 5.899E-12 1.319E-11 2.949E-11 6.595E-11 1.475E-10 3.2969999999E-10 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 81-11-8 6668 170466584 F 4,4'-Diamino-2,2'-stilbenedisulfonic acid OS(=O)(=O)c2cc(N)ccc2C=Cc1ccc(N)cc1S(=O)(=O)O Tox21_112127_1 -NCGC00253732-01 196698625 tox21-ror-cho-viability-p1 set1 4 0.83379337 4.24970228 1.20880777 -0.43618659 3.81961087 -0.60819164 2.50973502 -0.21005426 1.24674291 0.19625947 0.58991731 5.65003514 2.7650433 0.42500644 2.37849279 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5050-41-9 81669 170466743 Z F 1-(2-Chloroethyl)pyrrolidine ClCCN1CCCC1 Tox21_113851 -NCGC00015060-14 196698641 tox21-ror-cho-viability-p1 set1 4 54.1504058934 14.475696144 -1.475696144 13 1.692447691 0.7824254842 0.011503433 1.1227636 -2.88892091 -3.22112092 -0.06690438 -1.7814671 -1.14013802 0.83395296 -1.57124354 -4.56308012 -0.93699716 -0.68410219 0.36149145 1.30342898 2.83312926 9.94529244 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00260295-01 196712179 tox21-ror-cho-viability-p1 set2 4 -1.22772722 -0.19453937 -3.84991976 -6.64013616 0.0189261 -0.68593262 0.37612958 -9.94383703 -15.22833736 0.16361856 -5.96217609 -8.96306618 0 0.02487024 -15.03590445 5.905E-11 1.32E-10 2.952E-10 6.601E-10 1.476E-9 3.301E-9 7.381E-9 1.65E-8 3.69E-8 8.2519999999E-8 1.845E-7 4.126E-7 9.226E-7 0.000002063 0.000004613 582-25-2 23661960 144209945 Fns Potassium benzoate [K+].[O-]C(=O)c1ccccc1 Tox21_202747 -NCGC00185766-04 196712586 tox21-ror-cho-viability-p1 set2 4 -7.06516778 -6.14505216 3.17905181 -6.93260306 2.91084372 0.9406363 2.64478077 0.36940111 -0.46556656 -3.21191296 -1.19172511 0.52444797 0.94670571 -7.62342729 -3.90148548 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 81161-17-3 104769 170465277 A Esmolol hydrochloride Cl.CC(C)NCC(O)COc1ccc(cc1)CCC(=O)OC Tox21_113496_1 -NCGC00260085-01 196712175 tox21-ror-cho-viability-p1 set2 -1.1 3.0575554966 -60.5691045893 -0.349707881 -60.9188124703 2.1876167061 0.985062413 8.7E-9 0.22511286 -0.37791576 2.43581582 -0.3957566 -0.42052505 2.39111254 -0.32482774 -3.17448343 -5.89286974 -13.26020585 -36.41517373 -57.89955256 -61.46556848 -51.80233189 -66.06126299 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.3169999999E-8 2.944E-8 6.583E-8 1.472E-7 3.291E-7 7.3599999999E-7 0.0000016459999999 0.00000368 0.0000082289999999 0.000018399999999 0.000041139999999 0.000092 7789-12-0 108005 144209734 Sodium dichromate(VI) dihydrate [Na+].[Na+].O.O.[O-][Cr](=O)(=O)O[Cr]([O-])(=O)=O Tox21_202536 -NCGC00357219-01 196712189 tox21-ror-cho-viability-p1 set2 -1.4 1.333319023 -22.3974539408 1.2969568189 -21.1004971219 3.1319983358 0.6685956544 0.0534417066 2.36792592 0.95788345 2.11911341 -1.74489899 4.24857683 4.72670175 1.68381492 -1.24542181 -1.03715764 -0.20564297 -17.44018099 -21.31032299 -39.33416187 -2.43911806 -19.41577224 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 330-95-0 9507 251919722 Ac Nicarbazin CC1=CC(C)=NC(=O)N1.[O-][N+](=O)c1ccc(cc1)NC(=O)Nc2ccc(cc2)[N+]([O-])=O Tox21_304000 -NCGC00094856-05 196712588 tox21-ror-cho-viability-p1 set2 4 14.9600854925 14.577038928 1.422961072 16 2.2526478767 0.9265267125 0.0000673885 2.18418624 2.54763257 2.62879794 -0.89753244 2.49712937 0.49480401 1.40009178 -0.2289934 1.41490989 1.09815836 1.38633272 3.40627737 2.90546797 11.59486753 16.05445935 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 73-24-5 190 170465950 A Adenine Nc1ncnc2ncnc12 Tox21_111348_1 -NCGC00091902-08 196712601 tox21-ror-cho-viability-p1 set2 4 0.10750561 -2.56000783 -0.15832143 1.31771196 -2.29902533 -2.4185022 -0.84307036 -2.99455423 1.52802497 -1.62042444 1.67218532 -0.17108927 -1.89560179 1.66213958 -2.85208495 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00014684-04 196712604 tox21-ror-cho-viability-p1 set2 4 -3.45970532 -7.44239209 -3.08649311 -4.9224897 -3.41023026 -5.65653821 -3.46327669 -3.11728673 -2.11398027 -2.66577838 -0.11757852 -1.4075491 1.07922008 -2.87848483 -6.96752847 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27199-40-2 65758 170466112 A Pifexole Clc3ccccc3c1nc(no1)c2ccncc2 Tox21_110057_1 -NCGC00262911-01 196712606 tox21-ror-cho-viability-p1 set2 4 29.8492948118 6.5897836559 -1.0897836559 5.5 4.9549173134 0.3364584705 0.3377670423 -2.84597038 -0.77737374 0.41486222 -6.74148638 -2.38934498 -2.92930449 -0.65855864 0.55573277 1.57831613 -0.3409495 0.34730374 1.51124502 -4.11455097 -0.10783309 4.88780919 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 979-02-2 92855 170466719 F A Dehydropregnenolone acetate CC(=O)C4=CC[C@@H]3[C@]4(C)CC[C@H]2[C@H]3CC=C1C[C@H](CC[C@@]12C)OC(C)=O Tox21_113909 -NCGC00160669-02 196713426 tox21-ror-cho-viability-p1 set2 1.2 13.3331902297 34.5450780352 -0.11407668 34.4310013552 3.0654483358 0.9792918756 5.82E-8 -0.39130562 -0.024778 -0.1147556 -0.39036576 -0.15221133 0.49827173 -0.72297106 -2.5950639 2.25639583 0.48902956 0.28761176 2.49341205 4.64019899 29.03668727 36.01527966 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10001-13-5 667497 170466336 A Pexantel O=C(N1CCN(C)CC1)C2CCCCC2 Tox21_111973_1 -NCGC00253732-01 196713833 tox21-ror-cho-viability-p1 set2 4 3.60280856 3.58239801 -0.76729326 0.05461209 -1.42425449 0.89532167 1.33027334 3.61461735 0.33685662 3.32661721 1.10897953 -0.34382948 -0.2249793 -0.10969582 -1.24614146 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5050-41-9 81669 170466743 Z F 1-(2-Chloroethyl)pyrrolidine ClCCN1CCCC1 Tox21_113851 -NCGC00095125-05 196713842 tox21-ror-cho-viability-p1 set2 4 5.32455097 0.58539231 3.50103678 1.99630929 3.22805358 3.83019311 1.38459961 1.90298445 1.31426758 0.19667678 0.34935833 -0.498784 0.05380916 1.50758735 2.55350462 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 114798-26-4 3961 170465135 A Losartan OCc4c(Cl)nc(CCCC)n4Cc1ccc(cc1)c2ccccc2c3nnnn3 Tox21_111435_1 -NCGC00015075-10 196713853 tox21-ror-cho-viability-p1 set2 4 1.44807301 1.46085317 -0.73855239 0.6826671 -0.00465925 2.06071837 1.2482898 1.16195835 2.41395365 0.68228553 -1.45302802 1.73128398 -1.24545847 1.58748474 2.97026365 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63-75-2 2230 170466659 A Arecoline CN1CC(=CCC1)C(=O)OC Tox21_110079_1 -NCGC00258848-01 196708812 tox21-ror-cho-viability-p1 set2 -3 69.7071642489 -75.6100383282 -1.934272631 -77.5443109592 4.9549173134 0.9872374254 3.5E-9 -5.1950673 0.81549539 -1.30331863 -2.72005668 -1.132865 -1.98519472 -3.79579075 -0.46297131 -0.65045965 -3.91371692 -0.25387 -4.48606741 -0.77046835 -5.65849855 -63.52723092 1.196E-9 2.674E-9 5.9789999999E-9 1.337E-8 2.9899999999E-8 6.685E-8 1.4949999999E-7 3.3429999999E-7 7.4739999999E-7 0.000001671 0.000003737 0.000008357 0.00001869 0.000041779999999 0.00009343 72-54-8 6294 144208494 A A p,p'-DDD Clc1ccc(cc1)C(C(Cl)Cl)c2ccc(Cl)cc2 Tox21_201296 -NCGC00259142-01 196708823 tox21-ror-cho-viability-p1 set2 4 -78.39037157 -0.05932119 -0.50961041 -2.74845609 -2.40895283 -1.20226511 -5.24208899 -0.87397832 -0.86766126 -0.87902302 0.77880459 -1.06883238 -1.27100997 -5.2106805 -8.20869 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.00004125 0.000092249999999 78-51-3 6540 144208791 A A Tris(2-butoxyethyl) phosphate CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC Tox21_201593 -NCGC00259552-01 196708419 tox21-ror-cho-viability-p1 set2 4 -1.06569277 -1.34502011 -0.69166691 -1.13826895 0.26951222 1.04549935 2.80627617 0.09699754 1.99360256 0.76676751 1.62598251 1.11914387 -0.64157666 1.37476516 1.95602809 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.00004119 0.000092099999999 94-96-2 7211 144209201 A A 2-Ethyl-1,3-hexanediol CCCC(O)C(CC)CO Tox21_202003 -NCGC00259257-01 196708811 tox21-ror-cho-viability-p1 set2 -1.1 13.7550451573 -95.2415191665 1.5227235159 -93.7187956506 3.0654483358 0.9788604001 6.54E-8 -1.3121706 0.97554668 -0.50053478 -1.5241227 1.25155531 2.06796541 0.46495802 2.65649864 3.42890943 1.30720559 -1.01318149 -0.1784297 -75.30372537 -91.34385541 -87.0243315 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.626E-8 1.482E-7 3.3129999999E-7 7.408E-7 0.000001656 0.000003704 0.000008282 0.00001852 0.000041409999999 0.000092599999999 156-10-5 9074 144208906 C A 4-Nitrosodiphenylamine O=Nc2ccc(Nc1ccccc1)cc2 Tox21_201708 -NCGC00259394-01 196708833 tox21-ror-cho-viability-p1 set2 4 1.37289797 -3.43649596 -2.9212857 -3.06092081 -2.37666825 -2.07486539 -2.96764654 -0.40497184 -2.32278899 -3.37122574 -1.29924063 -0.54131669 -1.86048792 -3.28274388 -2.83990005 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.65E-8 1.487E-7 3.325E-7 7.435E-7 0.000001663 0.000003718 0.000008313 0.00001859 0.00004156 0.000092939999999 5216-25-1 21277 144209043 A 4-Chlorobenzotrichloride ClC(Cl)(Cl)c1ccc(Cl)cc1 Tox21_201845 -NCGC00259369-01 196708834 tox21-ror-cho-viability-p1 set2 4 -0.93893062 -4.10634613 1.07897779 0.67802256 0.29381904 -0.01580549 2.08211392 -4.01037829 -0.39390524 -0.07033044 -0.06968944 2.98411435 1.12878192 2.10043657 1.84364409 1.203E-9 2.6889999999E-9 6.013E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003758 0.000008404 0.000018789999999 0.00004202 0.000093959999999 112-35-6 8178 144209018 A A 2-[2-(2-Methoxyethoxy)ethoxy]ethanol OCCOCCOCCOC Tox21_201820 -NCGC00259845-01 196709238 tox21-ror-cho-viability-p1 set2 4 0.96730871 2.30243028 1.8315227 0.82332479 -0.43070168 -1.17904506 1.46658825 1.56597099 3.47980005 1.24754054 -1.35242544 2.39042251 3.44441971 1.55651422 0.81423536 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004125 0.00009223 68515-48-0 590836 144209494 A Z DINP branched CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C Tox21_202296 -NCGC00094521-05 196709245 tox21-ror-cho-viability-p1 set2 4 38.5707788719 -17.3996463239 1.5 -15.8996463239 2.2526478767 0.8392771297 0.0031140071 2.12274129 0.53750578 -2.21513654 0 0.89461127 6.71911828 0.45096574 1.50263604 1.34514497 1.00283561 1.11609122 0.220523 0.14425149 -8.87210273 -13.24970527 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00259687-01 196709248 tox21-ror-cho-viability-p1 set2 4 -3.86780166 2.74848652 -5.77934111 -6.40649696 -1.15110609 0.11481885 -2.89114559 0 -0.34124065 -1.72180901 -1.56509561 -2.29249874 -1.53150235 -3.26052182 -5.69991574 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004127 0.00009229 10453-86-8 5053 144209336 A A Resmethrin O=C(OCc2cc(Cc1ccccc1)oc2)C3C(/C=C(\C)C)C3(C)C Tox21_202138 -NCGC00259669-01 196709643 tox21-ror-cho-viability-p1 set2 4 0.82304697 -0.6535973 -2.44661049 -1.09851382 -2.51252084 -0.74729077 -2.53560385 -0.78652238 -2.86284066 -0.12687784 -1.95138788 1.17872913 0.3039073 0.19900384 -0.56140079 1.206E-9 2.6959999999E-9 6.028E-9 1.348E-8 3.014E-8 6.739E-8 1.507E-7 3.37E-7 7.535E-7 0.000001685 0.0000037669999999 0.000008424 0.00001884 0.000042119999999 0.00009418 90-15-3 7005 144209318 A A 1-Naphthol Oc2cccc1ccccc12 Tox21_202120 -NCGC00259460-01 196709645 tox21-ror-cho-viability-p1 set2 -2.1 61.3793157847 -76.8601940227 -2.7209552749 -79.5811492976 4.4494702849 0.9939687006 0 -0.59933115 -0.81809724 -2.97049471 -3.50754989 -4.5780183 -1.36251046 -0.29169837 -3.0148338 -3.84534566 -3.97382537 -3.86304375 -2.13986371 -2.48166171 -13.66810827 -69.00087068 1.1839999999E-9 2.648E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.619E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 76-44-8 3589 144209109 A A Heptachlor ClC2=C(Cl)C3(Cl)C1C=CC(Cl)C1C2(Cl)C3(Cl)Cl Tox21_201911 -NCGC00091632-02 196709647 tox21-ror-cho-viability-p1 set2 4 -1.27111118 -0.11479749 -0.26995093 -1.00575544 0.81133742 4.69476617 -0.4310602 -0.41095804 5.04279481 5.72393869 7.58046923 6.24464875 5.36479683 6.37636755 -0.09667185 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00259125-01 196709657 tox21-ror-cho-viability-p1 set2 4 -3.13899388 -0.32617593 -4.83271067 -5.99694674 -1.4061092 -2.37456011 -0.77939505 -2.19016248 -2.60804287 -1.51456732 -0.00277147 -1.47220191 -1.00434483 -1.13911716 0.34585617 1.188E-9 2.656E-9 5.9389999999E-9 1.3279999999E-8 2.969E-8 6.64E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.000003712 0.0000083 0.00001856 0.0000415 0.00009279 512-56-1 10541 144208774 B Ac Trimethyl phosphate O=P(OC)(OC)OC Tox21_201576 -NCGC00260170-01 196703270 tox21-ror-cho-viability-p1 set1 -2.4 10.9038958243 -29.587821696 2.5 -27.087821696 0.5999999999 0.8413594528 0.0029074507 6.06842769 -0.86048506 -1.0098825 -0.28668063 4.22892164 1.69283873 5.57065572 -2.96819636 -0.23753405 -9.58054055 -11.85975829 -7.06296556 -10.32586226 -20.74998291 -20.90651808 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3069999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.000008269 0.000018489999999 0.00004134 0.00009245 188589-32-4 22078297 144209820 A A 1-Decyl-3-methylimidazolium bromide [Br-].C[n+]1ccn(CCCCCCCCCC)c1 Tox21_202622 -NCGC00357091-01 196703673 tox21-ror-cho-viability-p1 set1 4 -1.03321802 -0.1065117 0.24931902 -0.24791308 -5.44781824 -1.51988541 -5.12657146 2.50084131 -2.62914887 -4.57705201 -4.30149841 -6.37520443 0.06594737 0.44850387 -10.56774117 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67233-85-6 3017748 251919729 F Sodium 2-methoxy-5-nitrophenolate [Na+].[O-]c1cc(ccc1OC)[N+]([O-])=O Tox21_303810 -NCGC00357277-01 196703267 tox21-ror-cho-viability-p1 set1 4 0.09061726 17.13615907 -0.2695359 1.52988917 -1.98581809 4.2552145 -2.02086665 0.677189 0.709766 -0.08168554 -5.15256887 3.97947062 -3.18219558 3.2300742 2.82093696 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1752-30-3 2770166 251919796 A Acetone thiosemicarbazide C/C(C)=N\NC(N)=S Tox21_304003 -NCGC00260631-01 196703269 tox21-ror-cho-viability-p1 set1 4 0.43705704 1.96480292 11.20629353 3.16964404 3.10804758 2.39826466 4.24838919 5.40505402 5.80275167 0.78599931 9.43608534 1.93906834 0.51435016 1.44585452 11.74174772 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49527 144210284 M M NTP Mix107 ER1 10-EQC Tox21_203086 -NCGC00260310-01 196703683 tox21-ror-cho-viability-p1 set1 4 0.0937238609 4.4777953519 -4.4777953519 0 4.9549173134 0.3302256046 0.3413081745 -3.1299623 -1.00702265 -0.57157328 -10.81482946 -0.51804283 -5.7809761 -8.49526527 -2.6098537 0.59237563 -0.12264335 -0.26652578 1.25570308 -3.70133005 -0.4272091 1.22105385 2.996E-10 6.7E-10 1.498E-9 3.35E-9 7.491E-9 1.675E-8 3.746E-8 8.375E-8 1.873E-7 4.1879999999E-7 9.3639999999E-7 0.0000020939999999 0.000004682 0.00001047 0.000023409999999 52829-07-9 164282 144209961 F Bis(2,2,6,6-tetramethyl-4-piperidyl) sebacate CC2(C)CC(OC(=O)CCCCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1)CC(C)(C)N2 Tox21_202763 -NCGC00260527-01 196703686 tox21-ror-cho-viability-p1 set1 4 43.4972720155 -20.378775976 0.5 -19.878775976 2.7202212143 0.6458623058 0.0666605483 -1.37173262 -1.13391464 -1.30709174 -2.96605557 -1.24425571 -0.9189447 1.77722567 -2.21127782 0.83459939 6.73262899 9.82177369 -5.18292874 1.49823734 -10.23835088 -17.39897998 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.961E-8 6.622E-8 1.481E-7 3.311E-7 7.4029999999E-7 0.000001655 0.000003702 0.0000082769999999 0.00001851 0.00004138 0.00009254 29761-21-5 34697 144210179 F Isodecyl diphenyl phosphate CC(C)CCCCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2 Tox21_202981 -NCGC00260504-01 196704078 tox21-ror-cho-viability-p1 set1 4 77.7421153793 -17.962818296 1 -16.962818296 4.9549173134 0.7816152103 0.0115807994 2.22844798 -1.53777918 4.03662934 0.04172179 2.60165813 -0.39300026 -1.4345013 -0.65644159 3.55419548 2.08081388 -0.94086167 -0.04219484 1.35802736 2.52956754 -13.30234858 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.65E-8 1.487E-7 3.325E-7 7.4339999999E-7 0.000001662 0.0000037169999999 0.000008312 0.00001859 0.00004156 0.00009293 1564-64-3 74062 144210156 A F 9-Bromoanthracene Brc2c3ccccc3cc1ccccc12 Tox21_202958 -NCGC00260453-01 196704086 tox21-ror-cho-viability-p1 set1 4 -0.7350639 -0.53435172 -0.9236575 -0.13730256 0.24324222 0.30522792 1.2451255 8.79182819 -1.42128569 -1.17411106 -1.15375484 0.21846103 -1.18461931 4.12816633 0.46247553 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.303E-7 7.387E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 253-52-1 9207 144210105 A A Phthalazine c1cccc2cnncc12 Tox21_202907 -NCGC00357006-01 196704088 tox21-ror-cho-viability-p1 set1 4 0.0029081026 -13.4266836159 3.5 -9.9266836159 0.6999999999 0.6361257101 0.0729133519 2.17047913 -1.78536662 0.92633035 -7.67062549 -6.71747668 -1.31917942 -5.41497101 -10.92567948 -12.05583481 -14.10556968 -11.84310557 -11.56611213 -7.72024769 -6.98864143 -7.74050743 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 10147-40-7 66280 251919797 F Dodecane-1-sulfonyl chloride ClS(=O)(=O)CCCCCCCCCCCC Tox21_303760 -NCGC00260022-01 196704099 tox21-ror-cho-viability-p1 set1 4 77.2719803999 -11.8890085519 -0.5 -12.3890085519 4.9549173134 0.5621879168 0.1277630212 1.78761141 -0.31212076 -0.11867694 -0.3078842 0.76812055 -2.608447 -5.49511758 1.22398608 -2.5918594 0.12106419 2.25209045 0.15038675 -2.5809363 0.10900237 -9.49084046 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 19780-11-1 5362708 144209671 A A (2-Dodecenyl)succinic anhydride O=C1OC(=O)CC1C/C=C/CCCCCCCCC Tox21_202473 -NCGC00357106-01 196704100 tox21-ror-cho-viability-p1 set1 4 0.85418687 -1.07758623 0.82699416 -2.58623012 -1.53460021 -0.03573751 1.79154958 -2.15901864 -1.17054479 2.78781365 7.75282487 0.72608196 -2.40262405 0.30205573 -2.08878854 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3277-26-7 6327482 251919896 Fns 1,1,3,3-Tetramethyldisiloxane C[SiH](C)O[SiH](C)C Tox21_303833 -NCGC00095074-05 196704499 tox21-ror-cho-viability-p1 set1 4 1.38355373 2.51370071 0.92297789 1.99689517 3.80666357 3.24527616 1.30284145 1.67284522 0.70933103 4.38374979 0.15558444 2.08101983 2.82139461 3.93984809 6.21188828 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 111-48-8 5447 170466604 F 2,2'-Thiobisethanol OCCSCCO Tox21_111413_1 -NCGC00023217-08 196704508 tox21-ror-cho-viability-p1 set1 4 0.66174196 3.8659004 0.68738868 -1.05682179 -0.19605299 -0.99815592 -0.9489471 -1.98747132 -1.12019865 0.19821543 -1.10791019 -6.0860773 -2.00035561 -0.14063121 1.16070374 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6385-02-0 23663959 170464886 A Meclofenamate sodium [Na+].O.Clc2ccc(C)c(Cl)c2Nc1ccccc1C([O-])=O Tox21_110764_1 -NCGC00090987-03 196699470 tox21-ror-cho-viability-p1 set1 1.4 0.002730602 17.085215708 -15.085215708 2 2.3331733767 0.8274436951 0.0042663386 -12.57101309 -7.44969731 0.97003192 0.60846741 1.30019543 0.69142487 -2.67318197 2.57914341 3.40023671 4.52753363 2.25685044 0.36113313 2.99213224 5.81067125 2.69046335 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00254496-01 196699469 tox21-ror-cho-viability-p1 set1 4 -0.18588962 -0.68950827 -4.99085877 0.57313416 4.18876359 -0.10853174 1.54439928 1.08146797 -0.23552837 -1.40054837 4.05814469 1.41755409 1.98091801 0.35057735 6.3686041 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69655-05-6 50599 144210892 A C 2',3'-Dideoxyinosine O=C3NC=Nc2c3ncn2[C@H]1CC[C@@H](CO)O1 Tox21_300575 -NCGC00254037-01 196699475 tox21-ror-cho-viability-p1 set1 -2.4 27.3060203028 -26.417765204 1.5 -24.917765204 4.9549173134 0.8049009255 0.010094291 -1.66463415 -0.33324013 -1.95712431 0.15878435 1.03179762 0.79969701 2.98013503 0.55467127 1.56330556 0.59604114 11.53472398 1.25606426 0.59469643 -24.09813767 16.02576614 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-31-9 785 144210335 A A Hydroquinone Oc1ccc(O)cc1 Tox21_300015 -NCGC00254006-01 196699867 tox21-ror-cho-viability-p1 set1 4 9.6885416101 -8.8062143839 1.5 -7.3062143839 3.5117481694 0.5807723702 0.126938988 -2.84066719 3.40472828 0.34343901 -0.11094749 -0.12986318 0.15433536 2.98679236 2.83982918 3.34225511 3.20117309 2.15947535 0.63851013 -11.92184532 -3.46483051 4.96168714 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 614-45-9 11966 144210390 C tert-Butyl perbenzoate CC(C)(C)OOC(=O)c1ccccc1 Tox21_300070 -NCGC00254083-01 196699872 tox21-ror-cho-viability-p1 set1 4 0.74259007 -1.48022242 5.79730575 5.62168962 2.38308344 6.1703688 -1.45386492 5.7765588 1.47289824 1.72847362 -0.15309712 -2.33875033 5.09616665 3.71297252 5.50668888 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-76-2 8133 144210443 A A 2-Butoxyethanol CCCCOCCO Tox21_300123 -NCGC00254643-01 196699887 tox21-ror-cho-viability-p1 set1 4 2.36026008 -0.29547346 -0.83490643 1.44114314 -2.49608719 1.59327498 -1.01315217 -0.68498499 -1.30197861 0.81031135 1.97482458 0.18954202 3.56697618 1.10644025 -1.99104326 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-37-1 7555 144211054 A A 2,4,6-Tris(allyloxy)-1,3,5-triazine C=CCOc1nc(nc(OCC=C)n1)OCC=C Tox21_300737 -NCGC00254920-01 196699889 tox21-ror-cho-viability-p1 set1 4 0.00370263 1.59517504 1.0337251 0.67913142 0.30895371 -0.28693696 1.04673707 4.05568628 0.51464597 1.42134672 2.32846957 -1.04316857 -0.60847346 2.38026755 0.24258816 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 532-02-5 23661868 144211335 A A Sodium 2-naphthalenesulfonate [Na+].[O-]S(=O)(=O)c1ccc2ccccc2c1 Tox21_301018 -NCGC00091210-02 196700284 tox21-ror-cho-viability-p1 set1 4 0.0048557734 -15.1589889081 -0.7490204479 -15.908009356 4.9549173134 0.3691609963 0.3011138963 -2.23064226 -0.40395058 -11.22670324 -18.8763505 -16.53456741 -16.68234523 -9.86776973 -5.41688435 -18.78353354 -12.88392065 -22.47907237 -19.97829003 -0.20751704 -26.17334113 -21.18871861 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00255514-01 196700288 tox21-ror-cho-viability-p1 set1 -1.1 19.3311819617 -88.0770196546 -4.968970251 -93.0459899056 1.9673362061 0.9571046272 0.0000036104 -11.47975529 -0.8437808 -0.06459589 -4.44404715 0.05002052 -5.16273954 -6.98131986 -5.43306042 -3.68123995 -5.21476144 -11.4149099 -25.42921261 -35.30368181 -89.63968199 -83.19474885 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 39300-45-3 53249535 144212534 C D Dinocap O=C(Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)CCCCCC(C)C)\C=C\C Tox21_302217 -NCGC00255527-01 196700698 tox21-ror-cho-viability-p1 set1 4 27.3060203028 -17.31239106 2 -15.31239106 4.9549173134 0.7470549619 0.0265784586 2.23489251 0.66795721 0.07878422 0.17097195 3.00178752 -0.47795778 1.89105022 6.16923659 -0.58482193 7.13535133 0.02083842 1.6842048 0.25627927 -13.17699255 -6.15744068 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4707-47-5 78435 144211984 A A Methyl 2,4-dihydroxy-3,6-dimethylbenzoate Oc1cc(C)c(C(=O)OC)c(O)c1C Tox21_301667 -NCGC00255093-01 196699894 tox21-ror-cho-viability-p1 set1 4 1.78697632 -2.03395811 -2.54733508 -5.26193832 -2.24652138 -3.31723465 -2.97407191 2.08998717 -0.88198851 0.97205408 -3.48076485 -0.25084924 -3.78266103 2.29238399 4.33781228 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-23-0 7794 144211512 AC Ac Citronellal C\C(C)=C\CCC(C)CC=O Tox21_301195 -NCGC00254138-01 196699486 tox21-ror-cho-viability-p1 set1 4 27.3060203028 -20.3180593279 0.5 -19.8180593279 1.0641 0.8912669613 0.0004924011 0.18086863 3.63095881 1.35949265 0.47766665 0.15280448 -0.38254159 0.57256689 1.33515104 -3.518408 0.66438163 0.98460474 -6.68664221 -6.09479516 -10.70448567 -16.51504944 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-79-9 4947 144210380 A A Propyl gallate Oc1cc(cc(O)c1O)C(=O)OCCC Tox21_300060 -NCGC00254858-01 196715099 tox21-ror-cho-viability-p1 set2 4 0.46593177 -4.51306656 -7.64608163 -5.10206813 -1.02983001 -4.53037403 -9.85289102 -13.30584622 -0.67021376 -1.66042391 -6.29631215 -7.12726818 -4.10686586 -0.16742857 -4.61475076 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-17-1 7980 144211273 A A Tetraethyleneglycol dimethacrylate O=C(OCCOCCOCCOCCOC(=O)C(=C)C)C(=C)C Tox21_300956 -NCGC00254156-01 196714685 tox21-ror-cho-viability-p1 set2 4 -0.05335415 -0.92978829 -2.85696263 0.17622306 0.0296282 0.21328184 2.36426841 -0.52908088 -0.26043403 -0.64633245 -2.48993353 3.445492 6.34823271 5.80384751 5.0568704 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6381-77-7 23683938 144210479 F Sodium erythorbate (1:1) [Na+].OC=1C(=O)O[C@H]([C@H](O)CO)C=1[O-] Tox21_300159 -NCGC00091830-04 196715089 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -16.783951208 0 -16.783951208 4.9549173134 0.6475961378 0.0660398466 1.24561207 1.51841093 0.42668678 0.27373472 0.7325888 1.9801646 0.27793591 -0.9870487 0.91509153 1.68554129 1.69425982 -0.24866818 -8.7418958 0.13756281 -13.56995934 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00254490-01 196715098 tox21-ror-cho-viability-p1 set2 4 0.00612664 1.28482859 0.71770084 -0.04274564 0.45939539 1.65278809 0.22764834 1.92405805 -0.81834881 -1.82495493 -0.37185779 5.58447555 3.71760211 1.0624497 4.25649949 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-50-5 8190 144210687 A 2-[2-(2-Ethoxyethoxy)ethoxy]ethanol OCCOCCOCCOCC Tox21_300369 -NCGC00254605-01 196715102 tox21-ror-cho-viability-p1 set2 4 -6.48437584 -5.37112102 1.62306173 -1.427043 -3.0311769 -2.88988412 -6.83442306 -5.71255174 -4.9661584 -7.57197783 1.01223041 -0.70462402 -2.37466056 -0.7972377 1.38914582 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111988-49-9 115224 144211014 A A Thiacloprid Clc2ncc(CN1CCS/C1=N\C#N)cc2 Tox21_300697 -NCGC00258518-01 196715493 tox21-ror-cho-viability-p1 set2 4 -0.13605237 -3.74214847 -4.70555157 0.17229655 1.17247047 -3.50395732 -3.32101931 2.06598673 -3.07269599 1.9275317 1.38140294 -2.1688209 -4.56589222 0.08241521 0.74906584 1.198E-9 2.68E-9 5.992E-9 1.34E-8 2.996E-8 6.6989999999E-8 1.4979999999E-7 3.35E-7 7.4899999999E-7 0.000001675 0.000003745 0.000008374 0.000018719999999 0.00004187 0.00009362 926-57-8 637892 144208163 A I 1,3-Dichloro-2-butene C\C(Cl)=C\CCl Tox21_200965 -NCGC00258184-01 196715499 tox21-ror-cho-viability-p1 set2 4 2.15467447 -2.63588095 -1.27175182 -3.86295672 -0.84656892 2.89281869 0.06339309 1.40543591 -14.44825043 0.83689815 0.91240325 -0.07887678 6.17474199 1.16392556 6.64849343 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.954E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3839999999E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.0000923 223437-05-6 25171607 144207828 Ac 1-Methyl-1-propylpyrrolidinium bis(trifluoromethylsulfonyl)imide C[N+]1(CCC)CCCC1.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F Tox21_200630 -NCGC00257815-01 196715504 tox21-ror-cho-viability-p1 set2 4 0.58687797 -1.7829103 -0.94260456 0.70727089 -0.07123002 -0.92882305 -0.21408525 -0.49142751 -1.14987028 -0.92259827 -1.26610032 -0.03089141 -0.67616562 4.83031029 0.96310988 1.204E-9 2.693E-9 6.0219999999E-9 1.346E-8 3.011E-8 6.732E-8 1.5049999999E-7 3.366E-7 7.527E-7 0.000001683 0.0000037639999999 0.0000084149999999 0.00001882 0.00004208 0.00009409 121057-90-7 23082568 144207459 A A 1-Ethyl-1-methylpyrrolidinium hexafluorophosphate F[P-](F)(F)(F)(F)F.C[N+]1(CC)CCCC1 Tox21_200261 -NCGC00257947-01 196715912 tox21-ror-cho-viability-p1 set2 4 0.19464851 -1.79630396 -0.58092868 2.44994304 -1.87845321 -1.22667958 0.83196572 1.91555396 -0.33876114 1.52280861 0.38960295 1.06987271 -3.42763681 2.33266756 0.12048441 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004127 0.00009229 83055-99-6 54960 144207591 A A Bensulfuron-methyl O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc2ccccc2C(=O)OC Tox21_200393 -NCGC00181914-01 196712623 tox21-ror-cho-viability-p1 set2 4 1.19279156 2.85740047 0.74177579 -0.29329911 0.31253331 -0.23660842 0.38899159 3.36781511 0.48930668 -1.70654587 1.7721972 1.78485532 1.4502909 0.58284992 1.9040274 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5486-77-1 71837 144206889 A A Alloclamide O=C(NCCN(CC)CC)c1ccc(Cl)cc1OCC=C Tox21_113338 -NCGC00015772-12 196712610 tox21-ror-cho-viability-p1 set2 1.1 2.3710137656 95.1956732938 0.5750009843 95.7706742781 3.0654483358 0.989803855 4.8E-9 -1.80214494 3.44572001 2.20483733 -1.09536748 2.32606967 -0.26548669 2.69748818 -0.61516225 -2.05063552 1.53934807 31.2282893 87.61482282 84.73881453 99.14148476 74.51937623 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82419-36-1 4583 170465035 A Ofloxacin CN1CCN(CC1)c4c(F)cc2c3N(C=C(C2=O)C(=O)O)C(C)COc34 Tox21_110703_1 -NCGC00091902-11 196712615 tox21-ror-cho-viability-p1 set2 4 -0.38537974 0.02538102 1.85331749 -0.17231514 0.89264539 0.9777867 -0.54474208 1.69522606 0.26119581 0.93851275 1.97726343 3.06466206 1.25119535 1.04985338 1.92099184 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 121-75-5 4004 170465311 Z Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_111175_1 -NCGC00255268-01 196710894 tox21-ror-cho-viability-p1 set2 4 2.0908391 0.84158003 -0.10595118 -0.76311979 3.312539 0.82465177 -1.39452624 0.01106267 1.06296371 -0.16727066 3.30366108 1.15371256 3.1375822 1.42605117 0.11706976 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7209-38-3 81629 144211724 F Ac 1,4-bis(3-Aminopropyl)piperazine NCCCN1CCN(CCCN)CC1 Tox21_301407 -NCGC00255150-01 196710491 tox21-ror-cho-viability-p1 set2 4 -3.09536136 1.36590477 -1.57120964 -1.61342017 0.48647025 -1.47146205 -1.23355706 -3.18877655 -0.411946 -0.0702551 -1.81274423 -2.01882945 -2.85189756 2.64968418 3.48801833 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2032-59-9 16247 144211740 A A Aminocarb O=C(Oc1cc(C)c(cc1)N(C)C)NC Tox21_301423 -NCGC00255972-01 196710492 tox21-ror-cho-viability-p1 set2 1.1 30.6378586933 58.5088135395 0.0512940324 58.5601075719 4.9549173134 0.9700372186 4.82E-7 0.73062873 9.73961215 2.64195618 -1.05790046 -0.08544785 2.56545596 1.24174914 -2.39758364 -1.54175449 -1.4703924 -2.24360633 -2.71118102 1.41017576 46.09016306 61.19459385 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13453-07-1 26030 144212433 Gold trichloride Cl[Au](Cl)Cl Tox21_302116 -NCGC00255344-01 196710890 tox21-ror-cho-viability-p1 set2 4 4.84333303 3.00334757 1.63330276 3.35859549 3.42007447 4.49056202 0.72981629 -0.22679906 0.19711862 0.81135122 0.9646831 -0.12202972 2.28213248 0.51220839 0.15048253 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87392-12-9 11140605 144211894 A A S-Metolachlor ClCC(=O)N([C@@H](C)COC)c1c(C)cccc1CC Tox21_301577 -NCGC00255574-01 196710901 tox21-ror-cho-viability-p1 set2 4 4.00266152 7.90227473 -0.81718983 -1.06792398 0.79643812 0.3056579 -1.9390065 -0.25425845 -0.72689202 -0.7937562 0.09611198 -0.57379155 1.26927467 4.50049577 7.15074334 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 39236-46-9 38258 144212642 F Imidazolidinyl urea OCN2C(=O)NC(=O)C2NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO Tox21_302325 -NCGC00255686-01 196710907 tox21-ror-cho-viability-p1 set2 4 4.69712982 0.99730751 -0.52423609 1.2987643 1.20547134 5.02405902 0.64172843 0.47450059 -0.49417307 0.41215831 0.48930193 -0.46355803 0.86511677 4.25247723 5.40940362 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3391-86-4 18827 144212356 A A 1-Octen-3-ol C=CC(O)CCCCC Tox21_302039 -NCGC00255517-01 196710910 tox21-ror-cho-viability-p1 set2 4 -4.81696305 4.43369923 1.74875502 0.22176746 1.07113158 0.89690789 -0.30433027 -0.98204974 1.97393468 1.63534462 1.49002666 2.63894638 2.30317862 4.00094807 3.36748478 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63133-82-4 113033 144212313 A F 2-Chloro-4,6-dimethylaniline Cc1cc(C)cc(Cl)c1N Tox21_301996 -NCGC00260117-01 196711309 tox21-ror-cho-viability-p1 set2 4 86.7005880091 14.823739504 1.176260496 16 0.8999999999 0.5517846394 0.1356152095 1.38033196 -0.39743197 -1.35692272 6.13893058 2.30338008 0.58734 -1.51978292 0.43925291 4.33234312 0.99401596 1.89800066 1.33276543 0.99192058 5.05877069 12.1706554 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.324E-8 2.96E-8 6.618E-8 1.4799999999E-7 3.309E-7 7.399E-7 0.0000016539999999 0.0000037 0.000008272 0.0000185 0.00004136 0.000092489999999 44992-01-0 162071 144209766 A 2-(Dimethylamino)ethyl acrylate methochloride [Cl-].C[N+](C)(C)CCOC(=O)C=C Tox21_202568 -NCGC00023100-08 196725046 tox21-ror-cho-viability-p1 set3 4 0.0105909295 -8.2520201639 7 -1.2520201639 4.9549173134 0.4204826616 0.269421085 2.19733592 7.54619549 7.64809881 9.96151463 -2.73042395 -1.8555678 -5.50460999 -4.8506766 -4.90580063 5.58402052 7.50430367 0.39919798 -6.87668347 -0.0633549 8.64938431 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23930-19-0 104845 170466428 A Alphaxalone CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C Tox21_110884_1 -NCGC00262962-01 196725032 tox21-ror-cho-viability-p1 set3 4 0.0149600855 -11.6362521239 -2 -13.6362521239 1.826479391 0.6568999728 0.0602435431 -7.54337807 0 -2.81007446 -1.61726113 -7.1315945 -16.88147514 -10.51086771 -7.85639381 -19.69687677 -11.29651188 -13.72229291 -11.46755799 -15.19730511 -14.69684022 -15.20924827 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5919-74-4 65442 170466779 F A Glyceryl methacrylate OCC(O)COC(=O)C(=C)C Tox21_113953 -NCGC00095133-06 196725034 tox21-ror-cho-viability-p1 set3 4 -1.22236717 -10.88359025 -1.05826636 -4.7422333 -2.15833298 -4.93829024 -5.14175152 -1.0889377 -0.41869097 -5.5437142 1.88147276 -6.39312744 3.11102695 -3.50033652 -5.04233615 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104227-87-4 3324 170464774 A Famciclovir CC(=O)OCC(COC(C)=O)CCn2cnc1cnc(N)nc12 Tox21_111442_1 -NCGC00095161-05 196725038 tox21-ror-cho-viability-p1 set3 4 6.6824247267 -10.2729090839 5 -5.2729090839 4.9549173134 0.3501174062 0.3358025261 -0.35338723 1.17773506 5.27692289 12.78692305 9.34908252 4.3289639 4.13805972 11.66633533 5.01572516 0.68510685 -3.34343295 9.88861823 -6.06075757 -3.98002947 7.44484065 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 90098-04-7 5042 170465891 A Rebamipide Clc1ccc(cc1)C(=O)NC(CC3=CC(=O)Nc2ccccc23)C(=O)O Tox21_111460_1 -NCGC00016283-04 196705342 tox21-ror-cho-viability-p1 set1 4 0.0008412674 11.8077734 -10.3077734 1.5 0.4 0.5604167356 0.1295188169 -6.9231445 -4.49123256 0.41675668 -2.30356698 -1.19851416 0.75903199 -0.50141663 -1.68734452 -2.31473387 -1.3677582 4.73860893 2.18305267 1.78658547 0.51310207 2.28551447 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62-97-5 6126 170464876 A Diphemanil methylsulfate [O-]S(=O)(=O)OC.C[N+]1(C)CC\C(CC1)=C(\c2ccccc2)c3ccccc3 Tox21_110349_1 -NCGC00016306-08 196705331 tox21-ror-cho-viability-p1 set1 4 5.30283009 0.07557906 6.20214705 2.23124936 1.57215118 -0.36334988 2.94588526 1.95233953 1.08428887 3.86683331 -5.27694444 -0.41655118 0.13037678 1.0433943 7.30898411 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68-41-7 6234 170465249 Z D-Cycloserine N[C@@H]1CONC1=O Tox21_110361_1 -NCGC00253620-01 196705337 tox21-ror-cho-viability-p1 set1 4 2.71672043 1.34077816 0.06914696 -0.32184621 1.83149239 4.68957302 0.95464076 1.31120257 4.16909984 1.99322102 1.18416842 3.73929874 5.70542408 3.72803369 0.4908865 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13035-61-5 83064 170466768 Ac A 1,2,3,5-Tetraacetyl-.-d-ribofuranose O=C(C)O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O Tox21_113750 -NCGC00016089-06 196705339 tox21-ror-cho-viability-p1 set1 4 7.22568186 3.27416595 1.62659362 2.44846677 -0.23602633 5.68174509 2.08663363 7.2084722 1.79630764 4.69840587 -0.18792159 4.04565015 2.70326288 3.73417454 2.27498432 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2444-46-4 2998 170466476 A Nonivamide Oc1ccc(cc1OC)CNC(=O)CCCCCCCC Tox21_110302_1 -NCGC00090760-08 196705346 tox21-ror-cho-viability-p1 set1 -3 68.1713220381 -54.3416342392 0.0616361039 -54.2799981353 4.9549173134 0.9682751051 6.676E-7 -0.284845 -0.37227888 -1.19755905 -3.65905448 -1.39359077 0.90143601 -0.79236298 -2.80204006 0.58248417 1.11302522 5.11379917 0.07656071 -0.70110578 -2.00160446 -44.26983979 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00163818-04 196705759 tox21-ror-cho-viability-p1 set1 -1.2 2.5953935548 -30.8134995992 -0.5 -31.3134995992 2.4063783767 0.9680224289 6.975E-7 0.43339866 -0.19090116 1.01045388 3.85841684 -0.00734593 -0.51431987 0.83246022 -5.09789681 -6.10080574 -6.17084999 -24.85502989 -29.54876317 -34.13088196 -28.9751878 -29.43801927 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00259255-01 196706581 tox21-ror-cho-viability-p1 set1 4 3.30780651 7.1597834 0.45919163 4.20713038 -3.29011285 0.84286138 0.89168299 5.3257457 -0.27210759 19.02822277 2.4234631 0.37496187 2.87279529 -0.13527408 0.56380787 1.166E-9 2.6069999999E-9 5.83E-9 1.304E-8 2.9149999999E-8 6.518E-8 1.457E-7 3.259E-7 7.287E-7 0.000001629 0.0000036439999999 0.000008147 0.00001822 0.00004074 0.00009109 96-29-7 7292 144208904 I I 2-Butanone oxime C/C(CC)=N\O Tox21_201706 -NCGC00163724-03 196704129 tox21-ror-cho-viability-p1 set1 4 0.0054482673 -6.7637535719 2 -4.7637535719 0.5999999999 0.4110064125 0.2665888598 -0.20825804 0.73136832 -1.90892801 -3.35473194 -2.54533446 -3.40680295 -2.86893275 -1.98818729 -10.63646131 -2.82391024 -4.28827478 -3.17317328 -5.08378878 -4.27068847 -4.54086171 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00357167-01 196704108 tox21-ror-cho-viability-p1 set1 4 5.4482673282 -9.79875598 0.5 -9.29875598 4.9549173134 0.57811086 0.113382344 -4.10930502 3.4219702 1.7834244 1.89505941 -9.19047378 0.8609771 3.71809199 2.84260402 3.80098367 0.36761362 0.72822045 -11.34867011 -4.24199472 -9.07411187 -12.33229665 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-87-9 8492 251919654 A 2-Chloro-4-nitroaniline Nc1ccc(cc1Cl)[N+]([O-])=O Tox21_303921 -NCGC00260638-01 196704111 tox21-ror-cho-viability-p1 set1 4 1.29948976 3.70687179 0.79604815 0.02711942 10.00832862 2.28330538 0.84030347 7.05817022 10.94620494 0.51729594 7.05690701 4.33269799 2.98891178 -0.26758777 1.53215822 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49534 144210291 M M NTP Mix114 ER1 10-EQC Tox21_203093 -NCGC00357110-01 196704112 tox21-ror-cho-viability-p1 set1 -2.1 61.130564862 -80.0869643208 0.822464184 -79.2645001368 2.6384283767 0.9536908905 0.0000055178 6.72649442 0.24638228 2.97589262 0.26200089 2.76659552 0.41208225 1.37427699 5.59636414 -3.18612269 0.21716667 4.08282304 -7.43509762 -6.69271836 -18.6268509 -60.04886374 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13080-86-9 83119 251919861 A 4,4'-(Isopropylidenebis(4,1-phenyleneoxy))dianiline Nc1ccc(cc1)Oc2ccc(cc2)C(C)(C)c3ccc(cc3)Oc4ccc(N)cc4 Tox21_303839 -NCGC00095622-04 196704525 tox21-ror-cho-viability-p1 set1 4 26.6032120037 11.024972748 -3.024972748 8 0.8099999999 0.5757915709 0.1174441106 -3.24480426 -5.43747729 -4.70597345 -0.04653437 -0.59498929 -5.23164105 -2.38132714 -4.92411984 -0.70195894 -1.17249689 -2.03524995 -0.56901484 -0.14356584 -0.39324031 5.43985443 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68-94-0 790 170466739 B Hypoxanthine O=C2NC=Nc1ncnc12 Tox21_111511_1 -NCGC00258706-01 196702792 tox21-ror-cho-viability-p1 set1 4 2.05110862 -0.68969602 1.7722496 8.09617994 5.27037332 9.5695973 7.2179335 0.46945742 10.95351181 -10.27960023 1.90615167 -0.33877397 4.7766792 4.4344322 0.44381885 1.175E-9 2.628E-9 5.877E-9 1.314E-8 2.9389999999E-8 6.571E-8 1.469E-7 3.285E-7 7.346E-7 0.000001643 0.000003673 0.0000082129999999 0.00001837 0.00004107 0.00009183 994-05-8 61247 144208352 FC tert-Amyl methyl ether CC(C)(CC)OC Tox21_201154 -NCGC00257959-01 196702781 tox21-ror-cho-viability-p1 set1 4 -7.44326548 -13.21488143 -13.59207748 -0.44020467 -9.17594203 0.55113319 -16.1318034 -4.84834234 -0.07914003 -13.16283476 -0.04094298 -17.07640283 -17.95595952 -10.65520345 -5.83915297 1.172E-9 2.6199999999E-9 5.859E-9 1.31E-8 2.9299999999E-8 6.551E-8 1.465E-7 3.275E-7 7.324E-7 0.0000016379999999 0.000003662 0.000008188 0.00001831 0.00004094 0.000091549999999 505-29-3 10452 144207603 A A 1,4-Dithiane C1CSCCS1 Tox21_200405 -NCGC00257986-01 196702785 tox21-ror-cho-viability-p1 set1 4 13.9921792875 -14.2993002399 -2 -16.2993002399 1.0999999999 0.5788703278 0.1127709084 -0.50283389 -0.65176713 0.97142868 -3.58443245 0.98905002 1.27820137 -10.69957081 -8.07108907 3.04448425 -5.27374581 0.1772684 -8.96006042 -12.04117129 -12.15230105 -14.8327502 1.202E-9 2.688E-9 6.01E-9 1.344E-8 3.005E-8 6.719E-8 1.503E-7 3.36E-7 7.5129999999E-7 0.0000016799999999 0.0000037559999999 0.0000083989999999 0.00001878 0.000042 0.000093909999999 101-63-3 7568 144207630 A A 1,1'-Oxybis(4-nitrobenzene) [O-][N+](=O)c1ccc(cc1)Oc2ccc(cc2)[N+]([O-])=O Tox21_200432 -NCGC00257824-01 196702788 tox21-ror-cho-viability-p1 set1 4 30.5444110439 12.39109088 -0.39109088 12 4.5044702849 0.7826987092 0.0113251877 -0.47784536 -1.51366781 4.06572488 -0.75046584 0.24085155 -0.59087581 -4.9092424 -0.97481391 -0.65729493 3.62385443 -0.04194622 -0.15803211 0.62845293 9.29489138 12.33211804 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.3529999999E-7 0.0000016439999999 0.0000036769999999 0.000008221 0.000018379999999 0.00004111 0.00009192 1025-15-6 13931 144207468 A A Triallyl isocyanurate C=CCN1C(=O)N(CC=C)C(=O)N(CC=C)C1=O Tox21_200270 -NCGC00255637-01 196701157 tox21-ror-cho-viability-p1 set1 4 0.58786772 1.26592108 0.87262186 0.70766915 1.16391561 0.36130192 0.80825948 -1.06547657 1.75168601 1.527071 0.4747321 0.46687378 0.74767169 1.49322198 1.72283384 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-98-2 7034 144212447 A A 4,4'-Dichlorobenzophenone O=C(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_302130 -NCGC00255379-01 196701149 tox21-ror-cho-viability-p1 set1 4 0.31239649 2.01773546 -0.16432426 0.83345184 -0.24706452 0.43679274 2.79931245 -0.59255834 2.78749097 -0.89870567 1.68209687 0.22760831 -0.07665498 0.12998245 3.81557811 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2122-86-3 16463 144212197 A C 5-(5-Nitro-2-furyl)-1,3,4-oxadiazole-2-ol Oc1nnc(o1)c2oc(cc2)[N+]([O-])=O Tox21_301880 -NCGC00091380-04 196701150 tox21-ror-cho-viability-p1 set1 4 3.07409573 2.08058798 2.78210615 1.453353 -0.41160383 4.57802752 1.35002655 0.70956916 1.23022263 2.66784372 -0.29109583 1.18548333 -0.65263305 4.41385603 1.23403894 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00255555-01 196701153 tox21-ror-cho-viability-p1 set1 4 -4.09769999 0.17016823 0.17784014 -2.90787054 0.91487952 3.09011774 2.55129422 -0.13836176 1.14418943 0.67734316 5.98894029 0.66570524 1.98824061 -5.80289257 1.37441367 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 29450-45-1 93128 144212577 A A MCPA-2-ethylhexyl Clc1cc(C)c(OCC(=O)OCC(CC)CCCC)cc1 Tox21_302260 -NCGC00255714-01 196701165 tox21-ror-cho-viability-p1 set1 4 -8.62075134 -4.89419407 -3.57856212 -3.06853069 -4.14665842 -4.29436525 -3.11347737 -6.46098785 -3.2398665 -0.29145143 -5.61528259 2.36202788 -6.82508786 -18.88627367 -8.37668682 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 53716-50-0 40854 144212700 A A Oxfendazole O=C(OC)Nc1nc2cc(ccc2n1)S(=O)c3ccccc3 Tox21_302383 -NCGC00258163-01 196701564 tox21-ror-cho-viability-p1 set1 4 3.40605754 0.96750936 2.04443767 4.25794607 -3.09780349 -2.9503179 4.73477171 5.91693988 8.22516935 3.29886331 1.45279402 4.14631097 8.65020721 4.40649265 4.24552394 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041219999999 0.00009218 186088-50-6 2734176 144207807 A A 1-Butylpyridinium hexafluorophosphate F[P-](F)(F)(F)(F)F.CCCC[n+]1ccccc1 Tox21_200609 -NCGC00258779-01 196701573 tox21-ror-cho-viability-p1 set1 4 2.57222447 0.53115951 0.16882538 1.71144814 0.02974256 2.77059892 1.43589641 -5.30254824 4.51957639 2.85415209 0.13530945 -5.31290773 3.16740103 5.99509663 2.82297343 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.00001842 0.0000412 0.00009212 4300-97-4 61345 144208425 A F 3-Chloro-2,2-dimethylpropanoyl chloride CC(C)(CCl)C(Cl)=O Tox21_201227 -NCGC00258631-01 196701975 tox21-ror-cho-viability-p1 set1 4 76.8023216542 12.5540180759 -0.5540180759 12 4.9549173134 0.7691437252 0.0147716094 1.26019328 -0.36339828 -2.96168173 0.48925756 -2.63774811 -1.32148374 0.54067475 -0.59226351 1.24143118 -0.63945772 -1.4454206 -0.04889736 -2.43150905 -0.00116932 8.60209861 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.3169999999E-8 2.9459999999E-8 6.587E-8 1.4729999999E-7 3.2929999999E-7 7.364E-7 0.0000016469999999 0.0000036819999999 0.000008234 0.000018409999999 0.00004117 0.00009206 616-91-1 12035 144208276 A A N-Acetyl-L-cysteine CC(=O)N[C@@H](CS)C(O)=O Tox21_201078 -NCGC00258671-01 196701981 tox21-ror-cho-viability-p1 set1 4 3.86535127 -1.52167599 0.47517767 6.27285938 7.12057986 -0.35025853 1.30046462 6.70088982 -0.17208179 6.87403118 2.97215693 2.16281008 3.65918628 4.94210732 3.52133148 1.21E-9 2.707E-9 6.052E-9 1.353E-8 3.0259999999E-8 6.767E-8 1.5129999999E-7 3.3829999999E-7 7.5649999999E-7 0.0000016919999999 0.0000037829999999 0.000008458 0.00001891 0.000042289999999 0.000094569999999 589-38-8 11509 144208317 FNS 3-Hexanone CCC(=O)CCC Tox21_201119 -NCGC00015726-11 196717179 tox21-ror-cho-viability-p1 set2 4 0.0595571731 7.790026228 -7.290026228 0.5 3.9294729863 0.6630256903 0.0570177476 -7.64092647 -7.01292958 -10.65835519 -2.61849562 -5.5128045 -10.42900071 -0.26311589 -0.19188116 2.49416827 -5.52613658 -0.08359839 0.76480688 0.34386277 2.39170477 2.23570866 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-12-7 4472 170466097 A Nialamide O=C(NNCCC(=O)NCc1ccccc1)c2ccncc2 Tox21_110208_1 -NCGC00253666-01 196717595 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -11.766643752 0 -11.766643752 4.9549173134 0.5901034994 0.1056686553 -0.82107176 -5.03576877 -0.5334681 -1.34325389 -0.3600342 -0.64976072 -0.39517113 1.114685 4.54478599 1.00764323 3.31339742 0.82987732 -0.38358957 -0.51935182 -9.80553646 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 393-11-3 94955 170466765 A A 3-Trifluoromethyl-4-nitroanilide O=[N+]([O-])c1ccc(N)cc1C(F)(F)F Tox21_113790 -NCGC00091517-06 196717995 tox21-ror-cho-viability-p1 set2 4 -0.06343289 0.96564426 1.06234529 3.6671878 -0.32455176 6.7623204 3.65872382 4.59896108 3.78501357 -0.0910912 4.63071565 4.89717232 4.31844257 3.77758406 6.08237636 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-81-7 54670067 170464728 Z L-Ascorbic acid OC=1C(=O)O[C@H]([C@@H](O)CO)C=1O Tox21_112104_1 -NCGC00254548-01 196713879 tox21-ror-cho-viability-p1 set2 4 -3.58302379 -4.2996699 -3.67427062 0.62377638 1.72842779 1.78134934 2.2299154 -3.55776191 1.4086835 -2.47082605 -3.49654729 -0.87922009 -0.46886233 -1.21917961 0.09233135 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 307-24-4 67542 144210712 PFHxA FC(F)(C(F)(F)C(=O)O)C(F)(F)C(F)(F)C(F)(F)F Tox21_300394 -NCGC00253738-01 196713462 tox21-ror-cho-viability-p1 set2 4 -2.43745849 -0.93871283 -1.35254011 -3.9769401 -3.55319686 0.34492287 -5.39570496 1.62621294 0.86126855 -0.38111042 -0.66538385 -1.68867579 -4.97055793 -0.44645887 1.62735965 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 306-20-7 9376 170466532 A A Fenaclon ClCCC(=O)NCCc1ccccc1 Tox21_113856 -NCGC00254835-01 196713861 tox21-ror-cho-viability-p1 set2 4 -9.49421233 -4.64773857 -8.42498772 1.19912827 -9.0163065 -3.10694711 -5.9272733 -8.38952259 -6.16056725 -4.81183773 -8.29643684 1.48630848 -3.85539726 -1.14243463 -4.18714343 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-46-9 7504 144211250 D Benzylamine NCc1ccccc1 Tox21_300933 -NCGC00163930-04 196713865 tox21-ror-cho-viability-p1 set2 4 -3.20656658 -6.96122592 -3.88499354 2.18847006 -4.64267958 -0.91206621 -1.86611824 -5.89339169 -8.45069953 -1.49405288 -5.6155229 -3.4992861 2.43845536 -5.75394267 -2.76026887 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00255024-01 196714288 tox21-ror-cho-viability-p1 set2 4 1.0071614 -0.01276491 1.16828134 0.49071829 -0.60137809 1.70144169 4.1045668 -0.2501244 2.58567941 3.9376773 0.99441027 6.92326525 5.65834763 2.94515152 2.54481522 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 962-58-3 13754 144211442 A F Diazoxon Cc1cc(OP(=O)(OCC)OCC)nc(n1)C(C)C Tox21_301125 -NCGC00255052-01 196714291 tox21-ror-cho-viability-p1 set2 4 1.01861647 -0.28317067 0.32270802 0.58753044 0.01754944 1.70341046 0.21468157 0.19684299 0.211662 3.16986952 0.30645982 0.63768202 3.70761921 2.87753447 0.7641031 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 153719-23-4 107646 144211471 A A Thiamethoxam Clc2ncc(CN/1COCN(C)C\1=N\[N+]([O-])=O)s2 Tox21_301154 -NCGC00255043-01 196714293 tox21-ror-cho-viability-p1 set2 2.4 33.4914596268 18.302435232 1.697564768 20 4.9549173134 0.8498881209 0.0022920685 0.39389529 0.26569675 0.05813453 -0.25202936 1.22799211 0.39711888 1.1509375 2.1409953 3.86654704 3.24242352 0.52734572 5.2336188 3.75035999 1.73008393 17.33585143 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6385-62-2 115268 144211462 A Ac Diquat dibromide monohydrate [Br-].[Br-].O.c1cccc2c3cccc[n+]3CC[n+]12 Tox21_301145 -NCGC00254627-01 196714294 tox21-ror-cho-viability-p1 set2 4 1.62250794 0.65221865 1.60609892 -1.25558405 -3.83967096 -3.67071717 -6.05085545 -2.10916082 -1.79247935 -0.15105415 -2.85792515 -5.18914084 -0.36942606 -7.95668585 -3.38348615 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 1698-60-8 15546 144211038 A A Chloridazon O=C2C(Cl)=C(N)C=NN2c1ccccc1 Tox21_300721 -NCGC00254740-01 196714690 tox21-ror-cho-viability-p1 set2 4 61.130564862 -14.3977646 1 -13.3977646 3.2474983358 0.93882805 0.0000261269 -0.00634407 1.92924675 0.04030331 0.45099421 0.89957155 1.37017019 2.23842253 0.12091603 0.02648868 -0.06788671 1.15396506 1.1986111 0.60475148 -2.06960413 -10.3314705 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33956-49-9 1787910 144211153 FNS Codlelure C\C=C\C=C\CCCCCCCO Tox21_300836 -NCGC00254360-01 196714692 tox21-ror-cho-viability-p1 set2 4 -0.66353882 2.59752183 0.76974158 -1.41981291 0.60277513 -0.79512002 2.53482432 0.05856653 2.24764428 0.07431862 -1.90396018 3.08130004 -0.01165435 -2.10783221 2.89469606 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-84-0 8346 144210867 A A Dioctyl phthalate O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCC Tox21_300549 -NCGC00181009-02 196726298 tox21-ror-cho-viability-p1 set3 4 0.14549324 -12.57895686 -8.08438903 -7.94114851 -3.30335019 3.51366609 -4.42065802 -5.66093158 2.48599571 2.99810043 -10.13214957 -6.76905066 -8.74890534 -8.65336053 1.36267596 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35035-05-3 160243 170465823 A Timepidium bromide [Br-].COC1C\C(C[N+](C)(C)C1)=C(/c2sccc2)c3cccs3 Tox21_112659_1 -NCGC00015316-05 196712563 tox21-ror-cho-viability-p1 set2 4 -0.87145945 1.08090779 0.24882028 -0.88916431 -2.33129018 -1.87272527 -1.33202971 -3.3958006 0.60017669 -2.59371988 -3.17253318 -8.32930855 -0.91560781 -4.64936114 -4.7260337 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 96020-91-6 57004 170465007 Z Eflornithine Hydrochloride Cl.FC(F)C(N)(CCCN)C(=O)O Tox21_111224_1 -NCGC00091253-05 196712577 tox21-ror-cho-viability-p1 set2 4 2.32162794 2.36806294 -0.87067872 2.0162814 2.78101985 0.53341968 1.18729407 -0.48871284 2.76978376 1.97260548 0.28931533 2.07975168 2.55364688 1.88522964 2.95437571 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00182074-03 196712987 tox21-ror-cho-viability-p1 set2 4 1.91067414 -2.24880916 2.72288434 0.51451101 1.16045048 0.11538023 -0.60260841 -1.1375185 0.55316298 2.08558968 0.1833657 2.46657063 0.71383569 0.8562407 -0.61723799 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27959-26-8 34081 170465790 A Nicomolol O=C(OCC4(COC(=O)c1cccnc1)CCCC(COC(=O)c2cccnc2)(COC(=O)c3cccnc3)C4O)c5cccnc5 Tox21_113136_1 -NCGC00178697-04 196725889 tox21-ror-cho-viability-p1 set3 4 -0.99057926 0.17150852 -0.52152948 -0.33279613 -4.92646589 -1.43547565 -2.45407281 -3.36690534 -4.30949198 -0.0640294 0.49429062 -0.37216072 0.30029051 -1.71917107 -0.08814247 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 100286-90-6 74990 170464824 A Irinotecan Cl.CC[C@]3(O)C=4C=C5c6nc7ccc(OC(=O)N1CCC(CC1)N2CCCCC2)cc7c(CC)c6CN5C(=O)C=4COC3=O Tox21_111479_1 -NCGC00016010-09 196726282 tox21-ror-cho-viability-p1 set3 4 0.0105909295 8.271156568 -8.271156568 0 3.6772481694 0.7002872506 0.0383531427 -7.51530692 -6.14835735 -11.05929714 -6.53242212 -2.33041958 0.88049991 3.55095039 1.08485733 -3.64116783 -3.69021916 -1.03305969 2.72118972 -2.77082368 1.15794129 1.40990533 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23031-32-5 441334 170464990 I Terbutaline hemisulfate Oc1cc(cc(O)c1)C(O)CNC(C)(C)C.O=S(=O)(O)O.CC(C)(C)NCC(O)c1cc(O)cc(O)c1 Tox21_110602_1 -NCGC00015605-09 196726289 tox21-ror-cho-viability-p1 set3 4 1.53985062 -9.0043244 -0.53575211 -0.34682116 1.10355798 0.48721322 -0.49144832 -2.74565709 -11.53445462 -9.15822768 -3.37959605 0.09727983 -2.60688362 -3.03635078 0.20091787 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84057-84-1 3878 170465024 A Lamotrigine Clc1cccc(c1Cl)c2nnc(N)nc2N Tox21_110179_1 -NCGC00257402-01 196726716 tox21-ror-cho-viability-p1 set3 4 -0.03793852 0.31342819 1.54989824 2.0054831 0.25245056 1.71288165 1.1832879 0.69631552 0.98256406 5.83094249 2.27252937 1.80459724 1.1534229 -2.74797983 -2.75748873 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 53-16-7 5870 144213953 A A Estrone Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)C(=O)CC[C@@H]12)c4cc3 Tox21_303651 -NCGC00256908-01 196726719 tox21-ror-cho-viability-p1 set3 4 4.13956427 -0.50066776 -0.53527382 -6.81102309 -5.48116217 -1.33758619 -8.18459559 -1.01809047 -0.47949255 -7.44136922 -7.34070162 6.47096983 0.54068231 1.29271117 -16.60111189 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 515-03-7 163263 144213044 A A Sclareol C=C[C@](C)(O)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O Tox21_302727 -NCGC00256467-01 196726721 tox21-ror-cho-viability-p1 set3 4 -2.84773541 -3.26189102 -4.67037764 -0.04931211 -3.61072901 -1.36282828 0.25547372 4.28928288 0.781255 0.4364441 2.70690845 -1.10804767 0.00437625 -1.15237873 0.10867641 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 968-81-0 1989 144213052 A A Acetohexamide O=C(NC1CCCCC1)NS(=O)(=O)c2ccc(cc2)C(C)=O Tox21_302735 -NCGC00256408-01 196727119 tox21-ror-cho-viability-p1 set3 4 31.9093424898 10.9338107241 0.0661892759 11 4.9549173134 0.7967199992 0.0086604504 -1.49117807 -2.44484227 -2.36729519 1.67814745 0.14019985 2.30371577 2.91311766 1.71574708 -0.82579118 1.42129461 0 -0.65700981 -1.24311191 8.89181358 10.4705387 1.109E-9 2.4799999999E-9 5.5449999999E-9 1.2399999999E-8 2.772E-8 6.199E-8 1.3859999999E-7 3.1E-7 6.931E-7 0.00000155 0.000003466 0.000007749 0.00001733 0.00003875 0.00008664 83-88-5 493570 144213297 A C Riboflavin OC[C@@H](O)[C@@H](O)[C@@H](O)CN2C3=NC(=O)NC(=O)C3=Nc1cc(C)c(C)cc12 Tox21_302980 -NCGC00256483-01 196727130 tox21-ror-cho-viability-p1 set3 4 -4.84335498 -7.01056698 -3.36633404 -5.87551855 -3.78791417 -4.63075387 1.08336391 1.97621568 2.71048806 0.31416502 -0.15582805 -3.65709935 -2.19881838 -2.50116146 -9.83900524 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51630-58-1 3347 144213274 C I Fenvalerate Clc1ccc(cc1)C(C(C)C)C(=O)OC(C#N)c3cccc(Oc2ccccc2)c3 Tox21_302957 -NCGC00091839-03 196705364 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -32.3606238639 1.5 -30.8606238639 4.9549173134 0.903364559 0.0002725818 0.48854079 -0.10206754 3.21678658 -2.57572947 0.75718064 3.14056608 0.05335647 7.08623447 3.05808725 0.18706643 0.7174185 0.68713832 0.06087525 0.09254402 -24.88385322 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00168262-02 196705367 tox21-ror-cho-viability-p1 set1 4 0.08984224 -6.6418147 2.42577462 -6.38875162 2.43959306 2.37895679 3.36500139 0.92364313 0.55992901 2.81218341 -6.39197843 0.40397176 0.80113765 1.9416756 -5.68989166 1.4959999999E-9 3.346E-9 7.4819999999E-9 1.6729999999E-8 3.7409999999E-8 8.366E-8 1.8709999999E-7 4.183E-7 9.353E-7 0.000002091 0.000004676 0.00001046 0.000023379999999 0.00005228 0.0001169 72739-14-1 11956149 144206369 A C (-)- (S)-Cathinone hydrochloride Cl.O=C([C@H](C)N)c1ccccc1 Tox21_112816 -NCGC00178754-06 196704958 tox21-ror-cho-viability-p1 set1 4 1.8928358 0.33310984 0.18738783 -0.24815424 -2.63686961 0.24594457 3.33366808 -4.39728952 0.14273008 -0.34696082 -0.41376356 0.66527649 -0.99984105 -0.96785765 -0.05132543 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63-45-6 6135 170465072 A Primaquine diphosphate O=P(O)(O)O.O=P(O)(O)O.CC(CCCN)Nc1cc(cc2cccnc12)OC Tox21_110350_1 -NCGC00091070-02 196705358 tox21-ror-cho-viability-p1 set1 4 1.30927986 -0.13622516 -5.09651514 0.7741289 -0.36041881 -9.45378486 0.87097741 -0.38330992 0.49530899 1.24302818 1.40372425 2.06456295 0.27308366 1.36352928 3.05835028 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 108-18-9 7912 170466002 F Diisopropylamine CC(C)NC(C)C Tox21_111075_1 -NCGC00259458-01 196705770 tox21-ror-cho-viability-p1 set1 4 -8.30736528 -6.47626777 -8.76223707 -13.93274536 -10.36906798 -3.20303692 -4.01767963 -10.29586828 -2.52839112 -9.10589299 -13.992383 -13.64634216 -7.66349362 -17.73803163 -11.94450878 1.211E-9 2.707E-9 6.053E-9 1.3539999999E-8 3.027E-8 6.768E-8 1.5129999999E-7 3.3839999999E-7 7.566E-7 0.0000016919999999 0.0000037829999999 0.00000846 0.00001892 0.0000423 0.000094579999999 98-16-8 7375 144209107 A A 3-(Trifluoromethyl)aniline FC(F)(F)c1cc(N)ccc1 Tox21_201909 -NCGC00258998-01 196705774 tox21-ror-cho-viability-p1 set1 4 1.90503476 7.36718093 2.21936509 5.16244278 4.40747538 0.68573128 0.85879888 0.91026291 3.13634276 14.686427 1.88882925 0.15243939 0.90720034 1.04006702 0.05473364 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.9479999999E-8 6.591E-8 1.474E-7 3.295E-7 7.369E-7 0.000001648 0.000003684 0.000008239 0.00001842 0.00004119 0.00009211 15879-93-3 7057995 144208645 A A Chloralose OC[C@@H](O)[C@H]1O[C@@H]2O[C@@H](O[C@@H]2[C@H]1O)C(Cl)(Cl)Cl Tox21_201447 -NCGC00258856-01 196705789 tox21-ror-cho-viability-p1 set1 4 -5.29451961 -4.85568514 -5.80708784 -8.66164796 -11.69872091 -6.16581469 -4.44623515 -4.15254498 -1.20622448 -5.99848673 -16.15693354 -3.07382472 -4.38857966 -10.92314152 0.80346704 1.191E-9 2.663E-9 5.954E-9 1.331E-8 2.977E-8 6.657E-8 1.489E-7 3.3279999999E-7 7.4429999999E-7 0.0000016639999999 0.000003721 0.0000083209999999 0.00001861 0.000041609999999 0.00009303 2437-25-4 17092 144208502 A A Dodecanenitrile CCCCCCCCCCCC#N Tox21_201304 -NCGC00259073-01 196705790 tox21-ror-cho-viability-p1 set1 4 -3.08689064 -4.43111039 0.2674435 5.86666872 -1.75370429 -0.04400077 0.33798787 0.71909997 0.99243894 0 -10.59170464 2.44331446 0.90094622 3.99517111 3.0392839 1.157E-9 2.5879999999E-9 5.786E-9 1.2939999999E-8 2.8929999999E-8 6.4689999999E-8 1.446E-7 3.234E-7 7.2319999999E-7 0.000001617 0.0000036159999999 0.000008086 0.000018079999999 0.00004043 0.00009041 95-65-8 7249 144208721 A A 3,4-Dimethylphenol Cc1cc(O)ccc1C Tox21_201523 -NCGC00091602-02 196706204 tox21-ror-cho-viability-p1 set1 4 67.7534495245 -15.281214348 2 -13.281214348 4.5044702849 0.7729175146 0.0136270289 -0.845733 1.6156204 0 2.2016757 5.15618692 -0.70674383 3.13368616 0.21192672 3.57827171 3.16555368 2.56488054 2.73590051 0.94301336 0.8337905 -10.23434529 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00259876-01 196706205 tox21-ror-cho-viability-p1 set1 -2.1 60.8198633448 -79.2291521466 -0.109267719 -79.3384198656 3.6272481694 0.9076251299 0.0002157948 1.74747897 -6.04031738 5.38365715 6.44235911 0.13246621 -0.34207239 1.91365143 -0.09545712 -16.55806946 1.86261043 0.58718749 2.53685919 1.6592924 -16.28980199 -64.65031808 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.000018359999999 0.000041049999999 0.000091779999999 90-00-6 6997 144209525 A A 2-Ethylphenol CCc1ccccc1O Tox21_202327 -NCGC00259559-01 196706206 tox21-ror-cho-viability-p1 set1 4 -5.95567301 3.73500784 5.78193214 2.02639169 0.99190203 -3.80178192 -3.44564445 0.4113226 -21.28914137 0.0998842 5.28810486 -0.94107944 1.01760955 0.6041198 2.37932055 1.188E-9 2.657E-9 5.941E-9 1.3279999999E-8 2.971E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016609999999 0.000003713 0.000008303 0.00001857 0.000041509999999 0.000092829999999 579-66-8 11369 144209208 A Fc 2,6-Diethylaniline CCc1cccc(CC)c1N Tox21_202010 -NCGC00259881-01 196706601 tox21-ror-cho-viability-p1 set1 4 55.2037439078 15.5738533199 -2.0738533199 13.5 4.4494702849 0.3080936782 0.3597994475 -0.22115989 -0.00492461 -2.25750278 -9.75128753 -0.43384133 -0.86735553 -2.5994903 -1.55314072 -16.7282111 9.24975866 0.43605796 0.71291999 -3.79525701 1.30146952 12.02383859 1.193E-9 2.6679999999E-9 5.967E-9 1.3339999999E-8 2.9829999999E-8 6.671E-8 1.4919999999E-7 3.3359999999E-7 7.458E-7 0.000001668 0.0000037289999999 0.000008339 0.00001865 0.000041689999999 0.00009323 4065-45-6 19988 144209530 A A Sulisobenzone OS(=O)(=O)c1cc(c(O)cc1OC)C(=O)c2ccccc2 Tox21_202332 -NCGC00259459-01 196706614 tox21-ror-cho-viability-p1 set1 -1.1 8.6173622229 -74.8464552301 -9.0742676019 -83.920722832 1.4641 0.9450114755 0.0000141006 -10.09155348 -4.22008084 -8.73922242 -11.35435159 -2.53564306 -7.3342898 -9.54206171 -6.51646141 -22.21483477 -26.33447563 -13.60849392 -43.96421333 -74.52605148 -77.85060236 -76.41695322 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.586E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009204 137-30-4 8722 144209108 FNS Ziram [Zn+2].S=C([S-])N(C)C.CN(C)C([S-])=S Tox21_201910 -NCGC00260264-01 196703233 tox21-ror-cho-viability-p1 set1 4 85.8054782774 16.651511824 -0.651511824 16 4.9549173134 0.5668697111 0.1226463473 -0.48724568 0.54103256 -0.17809561 1.72208059 -4.15142872 6.64965487 -0.51018356 -4.29292652 1.08908015 0.34757273 -1.05326958 -0.01691825 -3.85498232 -3.91457293 12.68213491 1.2919999999E-9 2.888E-9 6.458E-9 1.4439999999E-8 3.229E-8 7.22E-8 1.615E-7 3.6099999999E-7 8.073E-7 0.0000018049999999 0.0000040359999999 0.0000090249999999 0.00002018 0.00004513 0.0001009 109-64-8 8001 144209914 FC 1,3-Dibromopropane BrCCCBr Tox21_202716 -NCGC00257689-01 196702815 tox21-ror-cho-viability-p1 set1 4 -0.50559527 -7.45472625 1.90060924 -6.62856401 2.41425294 -0.64626963 -0.52019768 0.38044915 5.05414615 1.45059764 -10.70219736 1.74037762 -8.88011637 2.04392612 -11.34725653 1.173E-9 2.6229999999E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.3299999999E-7 0.0000016389999999 0.000003665 0.000008195 0.00001833 0.00004098 0.000091629999999 64697-40-1 2734223 144207333 A A 1-Methyl-3-octylimidazolium chloride [Cl-].C[n+]1ccn(CCCCCCCC)c1 Tox21_200135 -NCGC00091205-03 196703222 tox21-ror-cho-viability-p1 set1 4 0.0081527121 -7.470221676 -2 -9.470221676 1.0999999999 0.4439979605 0.2315554496 -4.90706787 -2.47160686 0.56451933 -8.50458646 -9.08829192 -8.76288895 -10.36855931 -8.4037203 -7.74339166 -6.40537554 -5.17356924 -13.21830852 -10.67479153 -14.97518473 -8.19978416 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00260569-01 196703645 tox21-ror-cho-viability-p1 set1 4 1.67067946 -3.64401137 10.22634125 -1.7857509 -6.57506579 -0.9417928 -3.8370258 -2.03822399 8.7888124 0.57035125 -0.59175453 -3.68237598 -1.08629783 2.44592132 -1.07873186 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49465 144210222 M M NTP Mix77 CT1 62-EQP Tox21_203024 -NCGC00357081-01 196703649 tox21-ror-cho-viability-p1 set1 4 27.3060203028 -18.685041024 -2 -20.685041024 1.6604358099 0.8556941108 0.0018994321 -1.37900122 -1.11489106 -2.27224375 -6.00718328 -1.93404741 -1.21039236 -4.60473708 -0.60324515 0.26142606 -0.77254028 -3.62654754 -1.22995322 -12.05293831 -12.0018165 -19.32086752 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 239110-15-7 11159021 251919721 A Fluopicolide Clc2cccc(Cl)c2C(=O)NCc1ncc(cc1Cl)C(F)(F)F Tox21_303793 -NCGC00091532-04 196703658 tox21-ror-cho-viability-p1 set1 -2.2 61.8773215692 -65.6287402884 -3.598465434 -69.2272057224 2.3331733767 0.8676191009 0.0012590502 -8.85463492 -2.02681708 -3.02073293 -0.22268462 -2.29178772 3.53980152 -1.00580216 -0.23594037 -14.73863037 0.45696689 -3.14065843 -9.90287576 -12.78456967 -16.8607825 -52.44485282 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00260656-01 196704058 tox21-ror-cho-viability-p1 set1 4 2.26371315 -0.14978036 0.78122293 -0.63479385 1.04413037 3.56907574 -2.09249591 1.6598629 -0.19215639 -1.60951513 -1.54463474 -0.68736628 0.89906021 2.07402846 0.0009921 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49552 144210309 M M NTP Mix22 AR2 2-EQP Tox21_203111 -NCGC00260110-01 196704064 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -18.8621386719 2 -16.8621386719 4.9549173134 0.7908264621 0.0096865735 2.48391272 4.87075068 2.570467 0.51292797 2.33085975 -1.42400082 3.4036364 5.49664871 -0.78188055 3.02119846 1.18178753 -1.15597379 2.21272766 2.23747005 -13.63511556 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004124 0.00009223 2235-54-3 16700 144209759 F A Ammonium dodecyl sulfate [NH4+].[O-]S(=O)(=O)OCCCCCCCCCCCC Tox21_202561 -NCGC00164155-02 196704473 tox21-ror-cho-viability-p1 set1 4 -5.70348645 0.77060496 0.51328422 -4.21992452 1.72144964 -3.62001106 -3.27696231 -0.56085543 -0.3864918 0.33791709 0.8030279 -0.17873345 2.24797722 -3.45964304 0.77537931 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-18-8 7180 170465711 A Benzylparaben Oc1ccc(cc1)C(=O)OCc2ccccc2 Tox21_112088_1 -NCGC00357259-01 196703677 tox21-ror-cho-viability-p1 set1 -1.1 24.3365162115 -94.8565374113 -2.0846461099 -96.9411835212 4.9549173134 0.9946937955 0 0.24371601 -2.02863206 -0.2023413 -3.34997127 -0.08486943 -3.19041641 -8.99886203 0.08892963 -2.08224689 0.19203689 -1.36969145 -2.07234157 -21.37908266 -91.6445126 -95.60274509 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4221-68-5 21943953 251919832 A 1,1-Bis(3-cyclohexyl-4-hydroxyphenyl)cyclohexane Oc2ccc(cc2C1CCCCC1)C3(CCCCC3)c5cc(C4CCCCC4)c(O)cc5 Tox21_303717 -NCGC00357190-01 196703271 tox21-ror-cho-viability-p1 set1 -1.1 1.2197151236 -59.9457258396 2.3612672229 -57.5844586167 2.4063783767 0.9820135762 2.57E-8 -1.95492855 4.27208831 3.26574212 0.17344804 1.6862167 1.72317015 -1.30729257 1.02911477 -1.9539704 -44.34765017 -51.5368317 -56.52887831 -55.15036812 -56.83994327 -62.11523946 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 329-89-5 9500 251919836 A 6-Aminonicotinamide O=C(N)c1cnc(N)cc1 Tox21_303956 -NCGC00260612-01 196703668 tox21-ror-cho-viability-p1 set1 4 5.33756928 8.04545883 0.8648096 4.64104114 1.35486287 0.54039299 3.07063448 0.69321884 14.89471533 0.63317846 7.38498831 5.07918033 3.19535358 9.97532329 2.18304433 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49508 144210265 M M NTP Mix15 AR1 8-EQC Tox21_203067 -NCGC00260111-01 196703669 tox21-ror-cho-viability-p1 set1 4 -0.69159451 -1.75781732 -0.45496938 0.00989083 -1.87840399 -6.39320655 0.19840934 -4.17429084 -0.22703614 -0.25948447 -1.76092514 -3.94509701 -1.1951256 -2.24890172 -9.75612714 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.9719999999E-8 6.6449999999E-8 1.486E-7 3.3219999999E-7 7.429E-7 0.0000016609999999 0.0000037149999999 0.0000083059999999 0.00001857 0.00004153 0.00009287 2524-03-0 17304 144209760 F Ac O,O-Dimethyl chlorothiophosphate ClP(=S)(OC)OC Tox21_202562 -NCGC00091044-02 196715938 tox21-ror-cho-viability-p1 set2 4 -0.86512696 4.86769673 3.6139905 -0.03123186 3.70572229 3.91908653 0.98903086 3.0922757 6.40325433 1.25053713 0.08822632 0.74787893 -0.40298762 0.89665509 -1.47554592 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00257690-01 196715524 tox21-ror-cho-viability-p1 set2 4 0.61572268 3.67129944 2.03642487 1.24276302 3.50700448 -0.65945299 2.56448935 2.38057723 1.05188873 3.00346355 3.54104125 -1.01492589 -0.5217155 0.71782636 -0.5243508 1.1739999999E-9 2.625E-9 5.87E-9 1.3129999999E-8 2.9349999999E-8 6.5629999999E-8 1.468E-7 3.282E-7 7.338E-7 0.000001641 0.000003669 0.000008204 0.00001834 0.00004102 0.00009172 104-88-1 7726 144207334 A A 4-Chlorobenzaldehyde O=Cc1ccc(Cl)cc1 Tox21_200136 -NCGC00258683-01 196715534 tox21-ror-cho-viability-p1 set2 4 3.28883382 1.30061109 3.52823131 6.51411721 4.1286113 5.49006582 3.79653247 4.85116672 7.0026051 0.84595387 2.08885064 4.09638644 1.39906042 1.23431298 -0.55344495 1.2049999999E-9 2.695E-9 6.0249999999E-9 1.347E-8 3.013E-8 6.737E-8 1.506E-7 3.368E-7 7.5319999999E-7 0.0000016839999999 0.000003766 0.000008421 0.000018829999999 0.0000421 0.00009415 51-66-1 5827 144208329 A A N-(4-Methoxyphenyl)acetamide COc1ccc(NC(C)=O)cc1 Tox21_201131 -NCGC00258600-01 196715542 tox21-ror-cho-viability-p1 set2 4 1.59103155 0.98324101 5.27209766 4.07987524 0.76657004 -0.07491344 3.51249986 2.63489977 2.80921973 -0.50240477 1.6498258 0.35653191 3.38768412 3.92106936 3.72169396 1.148E-9 2.566E-9 5.738E-9 1.2829999999E-8 2.8689999999E-8 6.4159999999E-8 1.4349999999E-7 3.2079999999E-7 7.173E-7 0.000001604 0.000003587 0.00000802 0.00001793 0.0000401 0.000089659999999 95-85-2 7265 144208245 A A 2-Amino-4-chlorophenol Nc1cc(Cl)ccc1O Tox21_201047 -NCGC00258126-01 196715947 tox21-ror-cho-viability-p1 set2 4 60.13725165 -16.6769155159 -1 -17.6769155159 2.7202212143 0.8594310463 0.001709739 0.68248198 0.54886534 -2.03132798 -0.74199337 -0.83445888 1.06724382 -2.8563554 -2.46392693 -3.23457182 -1.76217282 -0.95605918 -0.11897673 -2.87062253 -4.8802779 -13.48076293 1.164E-9 2.602E-9 5.818E-9 1.301E-8 2.909E-8 6.5039999999E-8 1.454E-7 3.252E-7 7.2719999999E-7 0.0000016259999999 0.000003636 0.00000813 0.00001818 0.00004065 0.0000909 100-14-1 7482 144207770 D 4-Nitrobenzyl chloride O=[N+]([O-])c1ccc(CCl)cc1 Tox21_200572 -NCGC00090986-03 196715950 tox21-ror-cho-viability-p1 set2 4 69.008347349 -23.204080968 -0.5 -23.704080968 4.9549173134 0.9522378327 0.000006637 0.00359892 -1.05586748 -0.67440761 -1.66283418 0.33446773 -0.52191626 -0.40415836 0.83512227 0.76925577 -1.51067957 -3.30780027 -0.8683326 -0.22968783 -1.15544041 -19.33673414 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00257950-01 196715955 tox21-ror-cho-viability-p1 set2 4 -2.2218717 -2.2339387 -1.19183461 -1.78014721 -1.84506704 0.55524642 -3.26542656 -6.26699632 -0.9105169 0.04808488 -2.6385827 -2.46243007 -2.45719772 -1.36757131 1.34217751 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.6299999999E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008287 0.00001853 0.000041439999999 0.00009265 4884-68-8 71833 144207594 D Hydrastinine hydrochloride Cl.CN1CCc2cc3OCOc3cc2C1O Tox21_200396 -NCGC00258449-01 196716395 tox21-ror-cho-viability-p1 set2 4 34.9713969285 -19.497887452 -2 -21.497887452 2.2526478767 0.4209511222 0.2515385799 -4.44957855 -0.96363756 0.06198833 -8.08001476 5.20043837 5.6040362 -17.54828333 -3.25487081 0.30494949 -0.90343832 6.18655439 -8.62828747 -3.56314318 -14.29468368 -19.16490621 1.197E-9 2.676E-9 5.983E-9 1.338E-8 2.992E-8 6.689E-8 1.496E-7 3.345E-7 7.479E-7 0.0000016719999999 0.00000374 0.0000083619999999 0.000018699999999 0.00004181 0.000093489999999 95-31-8 7230 144208093 A F N-tert-Butyl-2-benzothiazolesulfenamide CC(C)(C)NSc1nc2ccccc2s1 Tox21_200895 -NCGC00258588-01 196715548 tox21-ror-cho-viability-p1 set2 4 1.86648337 -0.33735778 0.47156975 0.62530772 -1.8609135 -2.62017121 -6.29634345 -3.76440031 -3.22375375 -1.41259673 -6.06322016 -2.62306469 -2.24129611 -7.46580424 0.88575598 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 144-82-1 5328 144208233 A A Sulfamethizole Cc2nnc(NS(=O)(=O)c1ccc(N)cc1)s2 Tox21_201035 -NCGC00258607-01 196715568 tox21-ror-cho-viability-p1 set2 4 0.67138267 2.87820917 3.85373278 0.9786656 3.85752127 3.04223226 -1.95221636 0.73177582 1.74788317 2.88284466 3.9158136 0.67180766 -0.30926806 0.33462187 2.70424441 1.188E-9 2.657E-9 5.942E-9 1.3289999999E-8 2.971E-8 6.6429999999E-8 1.4849999999E-7 3.3219999999E-7 7.427E-7 0.0000016609999999 0.000003714 0.000008304 0.00001857 0.00004152 0.00009284 462-06-6 10008 144208252 FNS Fluorobenzene Fc1ccccc1 Tox21_201054 -NCGC00257774-01 196716381 tox21-ror-cho-viability-p1 set2 4 3.41667421 3.64450144 4.15482371 1.37610938 3.54029092 -0.17484042 1.26932891 5.70651479 4.10550885 3.11586858 -0.74027664 0.27392832 -0.87781003 0.3330148 -3.7248627 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 613-93-4 11954 144207418 A A N-Methylbenzamide O=C(NC)c1ccccc1 Tox21_200220 -NCGC00257697-01 196716397 tox21-ror-cho-viability-p1 set2 4 3.9912419 -0.91321318 3.28618193 2.16375984 5.19690361 0.46733392 0.64749184 4.18498405 1.92561957 -1.35574449 3.7417634 0.74799939 4.72108767 4.73469804 0.70648516 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.626E-8 1.482E-7 3.3129999999E-7 7.408E-7 0.000001656 0.000003704 0.000008282 0.00001852 0.000041409999999 0.000092589999999 98-09-9 7369 144207341 A Benzenesulfonyl chloride O=S(=O)(Cl)c1ccccc1 Tox21_200143 -NCGC00091205-03 196716402 tox21-ror-cho-viability-p1 set2 4 -0.00554664 0.87653032 2.85013574 0.59179079 1.76108982 1.17374474 2.57340357 4.69432613 2.97574116 2.27318111 2.44568549 -0.3045659 -2.74336438 -3.28991182 -4.60419396 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00016098-11 196716796 tox21-ror-cho-viability-p1 set2 1.4 0.0298492948 21.8689527399 -21.3689527399 0.5 1.34431 0.9198919811 0.0001042652 -22.9107217 -18.88170372 -18.62667609 -23.64079395 -10.0679609 -13.24791671 -1.40290174 -4.37953595 1.12408723 1.12268451 -0.40339012 -2.23678504 1.65092991 1.24290502 1.17030251 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7361-61-7 5707 170466147 A Xylazine Cc2cccc(C)c2NC1=NCCCS1 Tox21_110303_1 -NCGC00166247-02 196725541 tox21-ror-cho-viability-p1 set3 -1.1 11.8832183006 -70.6555781337 2.6109390699 -68.0446390638 3.9294729863 0.9417013827 0.0000193446 0 0 2.6350763 6.57625469 -14.39878457 7.48985212 9.36227749 9.60019991 -0.79919607 3.57643235 -0.97093524 4.94535408 -16.80643346 -59.91979597 -68.18101869 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 605-91-4 5709754 170466074 A Carbocyanine [I-].CC[n+]3c4ccccc4ccc3C=CC=C2C=Cc1ccccc1N2CC Tox21_112373_1 -NCGC00256278-01 196728792 tox21-ror-cho-viability-p1 set3 4 0.1933118196 7.50384998 -1.00384998 6.5 4.9549173134 0.3872726328 0.2841933687 -1.98382955 3.22123415 -1.11790575 3.96474082 -1.27109472 -7.08654165 -2.87331163 14.57980133 6.66909075 3.65499526 3.64993712 11.62471744 -3.3800482 11.78180428 5.8141846 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2420-87-3 75494 144212012 F A 5,5'-Bi-2-benzofuran-1,1',3,3'-tetrone O=C1OC(=O)c2cc(ccc12)c3ccc4C(=O)OC(=O)c4c3 Tox21_301695 -NCGC00255754-01 196728793 tox21-ror-cho-viability-p1 set3 4 1.44910931 4.80488199 0.29490557 3.75025345 3.42025985 2.63703491 3.95988726 5.63477984 4.18070535 3.50440344 -0.96107612 1.73262924 0.45022071 -1.54037487 1.69632824 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 628-46-6 12344 144212713 A A 5-Methylhexanoic acid CC(C)CCCC(=O)O Tox21_302396 -NCGC00255656-01 196728798 tox21-ror-cho-viability-p1 set3 -3 61.130564862 -47.4218032802 -0.790433999 -48.2122372792 2.5884283767 0.8200179947 0.0050711647 2.98863238 -5.44428741 6.00112993 5.52417747 1.91807176 -0.85485982 -5.36881389 -5.76218919 -1.0824224 -3.83888828 -1.25557278 3.91858583 -10.05794087 -9.86240578 -36.90321006 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2463-84-5 17168 144212225 F F Dicapthon Clc1cc(ccc1OP(=S)(OC)OC)[N+]([O-])=O Tox21_301908 -NCGC00249903-01 196725133 tox21-ror-cho-viability-p1 set3 4 -5.339295 -11.55792843 -0.50189395 0.76632258 -0.22672438 -3.43367922 -4.90337306 0.71592308 2.98572497 -3.2095905 -6.69266757 1.69417667 -4.81438483 -3.44088017 -2.11142461 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2265-64-7 16752 170466851 A A Dexamethasone isonicotinate O=C1C=C2CC[C@@H]5[C@@](F)([C@@]2(C)C=C1)[C@@H](O)C[C@@]4(C)[C@H]5C[C@@H](C)[C@]4(O)C(=O)COC(=O)c3ccncc3 Tox21_113679 -NCGC00015513-11 196725530 tox21-ror-cho-viability-p1 set3 4 0.67712392 2.71049055 0.79029549 -0.47200347 0.41454373 -0.52807158 7.14408337 -4.51036525 -0.00846144 -4.56435629 -0.170426 -4.32903011 0.80129078 2.81515147 1.39329307 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-45-6 774 170465001 Z Histamine dihydrochloride NCCc1cncn1 Tox21_110166_1 -NCGC00179649-06 196725537 tox21-ror-cho-viability-p1 set3 4 -11.15756886 0 2.50931114 -5.48749865 -2.0130443 -4.44809139 -5.41727208 -4.06061719 -1.29897844 -3.22706839 1.80746264 -5.36238037 0.69343362 -5.1171673 -1.75138144 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-24-8 5755 170464732 A Prednisolone OCC(=O)[C@@]4(O)CC[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_111327_1 -NCGC00166218-02 196725543 tox21-ror-cho-viability-p1 set3 1.2 0.016785492 34.557118836 -2.057118836 32.5 0.9999999999 0.9440974209 0.0063788676 -0.79112538 2.3520405 -1.29759903 7.66973896 18.81660354 17.22984398 26.14369854 30.13945679 19.04223739 2.91389025 -9.81448468 -12.45740823 -27.31760489 -24.00938211 -22.63119737 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 587-90-6 9509 170465744 B 4,4'-Dinitrodiphenylurea O=C(Nc1ccc(cc1)[N+]([O-])=O)Nc2ccc(cc2)[N+]([O-])=O Tox21_112354_1 -NCGC00182074-03 196725551 tox21-ror-cho-viability-p1 set3 4 2.2393128 0.03295688 1.46473732 3.72671378 -0.05872004 2.76540881 -1.45473872 2.36636615 4.10311825 1.88895527 0.25718011 -1.89839638 2.69527129 -1.20265983 1.2247347 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27959-26-8 34081 170465790 A Nicomolol O=C(OCC4(COC(=O)c1cccnc1)CCCC(COC(=O)c2cccnc2)(COC(=O)c3cccnc3)C4O)c5cccnc5 Tox21_113136_1 -NCGC00021145-11 196725942 tox21-ror-cho-viability-p1 set3 4 0.2113168243 -5.2470978839 1.5 -3.7470978839 4.9549173134 0.3541308213 0.3329967205 1.56102211 1.44367226 2.14970887 2.32565336 0.49971566 1.08309505 0.61491962 2.07702423 -11.87258157 -1.39692524 1.86255998 -1.49797726 -10.26689688 -0.62294884 -1.03258757 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27833-64-3 71399 170465094 A Loxapine succinate O=C(O)CCC(=O)O.CN1CCN(CC1)C3=Nc4ccccc4Oc2ccc(Cl)cc23 Tox21_110311_1 -NCGC00344583-01 196725966 tox21-ror-cho-viability-p1 set3 4 -1.24694138 -2.13991592 4.49948382 12.31674952 14.57506343 2.73533352 2.98643914 4.84348693 0.33851681 6.63283383 -4.69840151 4.27021146 6.19633568 10.3882179 1.91009537 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 18556-44-0 5388983 170464976 B Vinblastine sulfate O=S(=O)(O)O.O=C(OC)[C@@]2(C[C@@H]4C[C@@](O)(CC)C[N@](CCc1c3ccccc3nc12)C4)c5cc9c(cc5OC)N(C)[C@@H]6[C@]98CCN7CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]6(O)C(=O)OC)[C@H]78 Tox21_111498_1 -NCGC00024633-07 196726365 tox21-ror-cho-viability-p1 set3 4 13.3331902297 30 4 34 0.7999999999 0.6272328755 0.0781433514 0.33862218 1.07747753 3.74082626 0.82398895 4.41260165 12.01264996 13.23207945 12.27595445 5.6125871 12.43545797 2.10868564 4.1419092 20.31559108 26.50191718 25.8724012 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 510-74-7 68186 170466454 A AMI-193 Fc1ccc(cc1)OCCCN2CCC4(CC2)C(=O)NCN4c3ccccc3 Tox21_110914_1 -NCGC00166200-02 196704562 tox21-ror-cho-viability-p1 set1 4 1.36093302 -0.81697562 -0.429738 0.78301582 -0.1503089 1.22230237 1.77504019 -1.48421104 1.84162399 0.82772011 0.70834894 -0.77640085 1.69544807 1.7242355 -0.58965258 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 116-52-9 8313 170466125 F Dichloralurea ClC(Cl)(Cl)C(O)NC(=O)NC(O)C(Cl)(Cl)Cl Tox21_112344_1 -NCGC00253601-01 196704564 tox21-ror-cho-viability-p1 set1 4 0.0066824247 -6.11276696 5.5 -0.61276696 4.9549173134 0.6069436143 0.1073870267 7.83006058 0.21564524 8.18986087 2.20418472 -1.0339415 -1.85597718 1.43319844 -1.38852079 0.13562635 1.00141405 -0.09875628 -0.21829397 -2.1773058 -1.84134644 7.3027356 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1322-14-1 72187524 170465553 Fc A Calcium undecylenate [Ca+2].[O-]C(=O)\C=C\CCCCCCCC.[O-]C(=O)\C=C\CCCCCCCC Tox21_113736 -NCGC00260660-01 196704131 tox21-ror-cho-viability-p1 set1 4 7.4978038628 -17.810847276 1 -16.810847276 4.9549173134 0.9386372537 0.0000256631 -1.57036155 3.67718687 0.4753281 -0.62162562 2.36813979 2.36539463 -1.23064114 1.84587889 -1.42518666 3.56397154 1.51472039 1.33363124 -11.44637358 -16.13126819 -17.34237273 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49556 144210313 M M NTP Mix26 AR2 2-EQP Tox21_203115 -NCGC00016011-14 196704154 tox21-ror-cho-viability-p1 set1 4 0.49147661 0.71673214 -1.53039086 0.93301145 0.67123889 0.14738305 2.45916487 0.84995261 1.77275437 0.56814056 0.72849166 -0.34665033 -1.11233447 0.01836753 1.72617405 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-67-2 5610 170466815 Z Tyramine Oc1ccc(CCN)cc1 Tox21_110282_1 -NCGC00262947-01 196704567 tox21-ror-cho-viability-p1 set1 4 -0.06732584 0.94573847 1.44551928 1.63157126 -1.65195124 1.10812265 2.57994413 0.25274246 -0.61641277 -3.60478382 -3.65102456 3.41533332 1.09515599 1.07462617 0.352202 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 136-44-7 8692 170466456 B A Glycerol 1-(p-aminobenzoate) Nc1ccc(cc1)C(=O)OCC(O)CO Tox21_113940 -NCGC00263585-01 196704966 tox21-ror-cho-viability-p1 set1 4 0.33508285 -0.73897698 -1.2569225 -0.26296599 -4.89869212 -6.41275369 0.31466476 -0.92001192 0.34359739 0.72055275 -0.79215031 0.47316841 1.63585706 1.26988542 1.46920929 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 74711-43-6 5720 170465838 A Zaltoprofen O=C(O)C(C)c1cc2CC(=O)c3ccccc3Sc2cc1 Tox21_113634_1 -NCGC00165987-03 196704967 tox21-ror-cho-viability-p1 set1 4 3.72755008 0.46311321 0.87458829 -0.56408901 1.65270537 -0.46252599 -0.10017963 6.54023715 0.20409837 -0.04650737 0.71233889 0.23033575 3.42914899 2.34692784 5.54753683 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122-97-4 31234 170466871 F 3-Phenyl-1-propanol OCCCc1ccccc1 Tox21_113458_1 -NCGC00092328-02 196704979 tox21-ror-cho-viability-p1 set1 4 -3.10333362 0.88243836 4.57213726 -0.33752993 -0.59250713 5.04616609 -0.98447376 6.18816049 0.44522999 -1.77040933 1.37309671 4.70855333 3.23352814 0.33341824 1.9674044 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98323-83-2 57364 170466196 A Carmoxirole O=C(O)c3ccc4ncc(CCCCN1CC=C(CC1)c2ccccc2)c4c3 Tox21_111193_1 -NCGC00025187-02 196704980 tox21-ror-cho-viability-p1 set1 -2.4 33.4914596268 -26.15263986 0 -26.15263986 4.9549173134 0.8760126309 0.0009294278 0.88873137 -0.40629175 -3.84126938 -1.50108161 2.15464444 -2.98185673 1.28304889 2.90618171 1.52918621 0.43891416 2.28957506 -0.29210184 -3.59011864 -2.55766263 -21.79386655 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 75859-03-9 53388 170466216 A Rimcazole dihydrochloride Cl.Cl.C[C@H]4CN(CCCn3c1ccccc1c2ccccc23)C[C@@H](C)N4 Tox21_110953_1 -NCGC00164506-02 196704982 tox21-ror-cho-viability-p1 set1 -2.2 21.1316824289 -67.0957818541 0.9886031849 -66.1071786692 3.0654483358 0.9778291523 8.61E-8 3.63699595 -5.67093264 -0.27360808 2.03885789 0.01793011 2.51637592 -0.23589554 -0.50928276 5.18428734 1.30948966 1.88917274 3.16387048 -1.32473845 -32.9216157 -59.92968081 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5541-67-3 71208 170466440 A Tiliquinol Oc1ccc(C)c2cccnc12 Tox21_112142_1 -NCGC00253742-01 196704986 tox21-ror-cho-viability-p1 set1 4 -1.4472577 1.22740458 -0.16231836 -1.42834511 1.18180614 -0.10951902 -0.03386187 0.52847898 0.71723437 -1.76960274 0.17969126 0.01422336 0.67532795 1.3549301 -0.33287265 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 548-00-5 54685524 170466152 F A Ethyl biscoumacetate OC=1c4ccccc4OC(=O)C=1C(C2=C(O)c3ccccc3OC2=O)C(=O)OCC Tox21_113859 -NCGC00091632-02 196705383 tox21-ror-cho-viability-p1 set1 4 -1.45432587 -7.26974766 -2.36013546 2.27732225 -0.48578709 -4.4369143 -3.75230945 -6.63020359 -2.57710372 -0.12289779 -0.92779392 -1.58384758 -5.88824886 0.76467578 -5.82512168 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00247684-01 196705386 tox21-ror-cho-viability-p1 set1 4 1.02934926 1.71880415 1.08597675 1.77711889 -1.66107947 -0.14288891 0.97200831 -1.96607795 -0.96676785 -2.30457524 -3.51204268 0.53716326 -3.03981207 -1.35961403 -2.9628799 1.3249999999E-9 2.9619999999E-9 6.6239999999E-9 1.481E-8 3.3119999999E-8 7.406E-8 1.656E-7 3.703E-7 8.28E-7 0.000001852 0.0000041399999999 0.0000092579999999 0.0000207 0.00004629 0.0001035 64-52-8 60977 144206386 A A 1-(2-Phenylethyl)-4-phenyl-4-acetoxypiperidine CC(=O)OC2(CCN(CCc1ccccc1)CC2)c3ccccc3 Tox21_112833 -NCGC00178127-02 196705402 tox21-ror-cho-viability-p1 set1 4 0.68370421 1.94085713 -1.0935763 4.44651675 2.08464752 -1.82537712 -2.82444646 3.6956236 -1.61369228 2.76293758 3.62339884 2.21542921 1.29075701 1.9382945 5.19666633 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87333-19-5 5362129 170464731 A Ramipril O=C(OCC)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2[C@@H](C[C@@H]3CCC[C@H]23)C(=O)O Tox21_110708_1 -NCGC00015428-15 196704914 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -12.189604228 2 -10.189604228 2.3531167061 0.5723312256 0.1196665526 -0.34497351 -0.73157666 3.4263278 3.71846816 5.32084379 2.77190844 0.41583535 3.60545291 2.87984645 0.70300622 -0.31469898 4.80290153 -0.85959206 -0.17986454 -6.82467019 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54910-89-3 3386 170465374 A (+/-) -Fluoxetine FC(F)(F)c2ccc(OC(CCNC)c1ccccc1)cc2 Tox21_110144_1 -NCGC00185767-01 196704917 tox21-ror-cho-viability-p1 set1 4 1.45970875 0.43651868 2.71428892 -1.37012478 1.64829699 0.09073918 -2.51266531 -0.44291335 0.34773746 -0.19870865 -2.87067385 -0.16421881 0.18680949 0.15820253 3.85514893 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 24916-51-6 5284620 144207139 D D Spiramycin II CN(C)[C@H]1CC[C@H](O[C@@H]1C)O[C@H]4C=CC=CC[C@@H](C)OC(=O)C[C@@H](OC(C)=O)[C@H](OC)[C@@H](O[C@@H]3O[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](O)[C@H](C)O2)[C@@H]([C@H]3O)N(C)C)[C@@H](CC=O)C[C@H]4C Tox21_113590 -NCGC00090885-03 196704518 tox21-ror-cho-viability-p1 set1 4 61.130564862 -18.150721128 -0.5 -18.650721128 3.5722481694 0.7080313368 0.0348925383 -0.79980776 0.57640769 -7.67708886 0.13330682 -0.04647813 1.69489089 -2.4984406 0.77039232 2.76435654 0.61123717 -2.83356446 1.28512739 0.05220911 -4.0102473 -15.12560094 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00015646-05 196704911 tox21-ror-cho-viability-p1 set1 4 0.4228403 -3.5113528 1.08727249 -0.72465296 0.04756723 -0.30600942 -3.50197844 -1.73032925 0.78883525 0.29182225 -0.87781291 -0.8504168 -2.33336899 0.75768698 0.33060799 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56010-88-9 11957593 170465026 A Fomepizole Cl.Cc1cnnc1 Tox21_111241_1 -NCGC00160453-02 196704918 tox21-ror-cho-viability-p1 set1 4 -0.89005804 1.15075981 1.5081872 -5.07544474 1.03752496 -0.10609614 -4.87101058 -2.03281676 1.05465943 1.60150148 -1.11660205 -2.72876014 -0.48873101 -2.0061146 -3.1684355 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 952-54-5 70374 170466494 Z Morphazinamide O=C(NCN1CCOCC1)c2cnccn2 Tox21_111823_1 -NCGC00095107-09 196704920 tox21-ror-cho-viability-p1 set1 4 -3.70514209 -1.39092733 -1.57479932 0.95715854 -2.62867723 -0.09992889 -1.68870939 -1.19914974 0.17720671 5.71748 5.87173519 3.6391201 -0.06832664 -0.99886342 5.10597128 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21187-98-4 3475 170465698 A Gliclazide Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2 Tox21_110590_1 -NCGC00167574-03 196704932 tox21-ror-cho-viability-p1 set1 4 1.53000861 0.44090094 2.48474934 0.96114703 1.21500862 8.41481987 0.5888118 -0.27546742 1.09958214 1.33227403 -0.7024738 0.24065313 0.90147115 2.52752966 1.18255508 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 90494-79-4 128918 170465603 A Xaliproden hydrochloride Cl.FC(F)(F)c1cccc(c1)C4=CCN(CCc2cc3ccccc3cc2)CC4 Tox21_112567_1 -NCGC00167534-02 196705326 tox21-ror-cho-viability-p1 set1 4 -0.39134745 0.3261692 1.05183968 -0.30075078 -3.50146631 -4.50360433 -2.37280445 -5.98915107 0.60079848 0.63602361 0.39452482 -2.56414378 2.86638841 0.18583868 2.33941352 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127045-41-4 65957 170465985 A Pazufloxacin NC1(CC1)c4c(F)cc2c3N(C=C(C2=O)C(=O)O)[C@@H](C)COc34 Tox21_112531_1 -NCGC00167459-02 196705350 tox21-ror-cho-viability-p1 set1 4 1.21627977 1.97698015 -0.09369417 1.52516696 -0.16778867 -2.33770461 2.85553984 -1.43210627 0.91160669 -1.63256808 1.17747525 -0.05914451 -0.07902662 2.01389088 -0.07876795 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 113-07-5 64647 170465313 A Doxapram hydrochloride Cl.O=C4N(CC)CC(CCN1CCOCC1)C4(c2ccccc2)c3ccccc3 Tox21_112463_1 -NCGC00182548-02 196705351 tox21-ror-cho-viability-p1 set1 4 1.75179443 1.55008302 -0.08633478 3.45747227 1.2348359 5.19121474 1.73113392 1.69319674 0.56225827 2.00378531 -0.20338207 1.04707324 5.01422675 3.06186656 4.56006994 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63516-07-4 60196342 170465904 I Flutropium bromide [Br-].[Br-].C[N+]2(CCF)[C@H]1C[C@@H](C[C@@H]2CC1)OC(=O)C(O)(c3ccccc3)c4ccccc4 Tox21_113011_1 -NCGC00258965-01 196705742 tox21-ror-cho-viability-p1 set1 4 -1.15984436 7.12338456 5.45709746 3.65636878 -1.01254673 -3.13617044 -2.4790176 3.90289883 8.85584091 0 0.34506695 2.24673231 0.692065 3.7683905 -1.20135113 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.6299999999E-8 1.4829999999E-7 3.315E-7 7.4129999999E-7 0.0000016579999999 0.000003707 0.000008288 0.00001853 0.000041439999999 0.00009266 834-12-8 13263 144208612 A A Ametryn CSc1nc(NCC)nc(NC(C)C)n1 Tox21_201414 -NCGC00258983-01 196705748 tox21-ror-cho-viability-p1 set1 4 40.145030934 -10.441570788 1.5 -8.941570788 2.3331733767 0.6855678985 0.0458160261 1.94868242 0.06918512 2.0591706 -1.92663294 4.21280593 -1.11203758 0.30658127 -0.83266398 2.30885384 3.21101031 3.25931091 1.55856658 0.37447171 -4.44607895 -7.45130899 1.22E-9 2.7279999999E-9 6.099E-9 1.3639999999E-8 3.049E-8 6.819E-8 1.525E-7 3.409E-7 7.6239999999E-7 0.000001705 0.0000038119999999 0.000008523 0.000019059999999 0.000042619999999 0.00009529 52918-63-5 40585 144208630 A A Deltamethrin Br/C(Br)=C/[C@H]3[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc1ccccc1)c2)C3(C)C Tox21_201432 -NCGC00259213-01 196706186 tox21-ror-cho-viability-p1 set1 4 0.54884082 4.5759687 -7.79277717 -5.99487557 -5.22486727 -0.4345714 5.97453078 -4.20175684 6.19740241 -10.99824337 -3.71033138 0.37655874 -2.15265995 3.59335937 3.6946744 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004129 0.000092319999999 122-42-9 24685 144208862 A A Propham CC(C)OC(=O)Nc1ccccc1 Tox21_201664 -NCGC00186465-04 196718060 tox21-ror-cho-viability-p1 set2 -2.2 26.6032120037 -63.2877818414 -1.907459799 -65.1952416404 2.1210667061 0.9284297038 0.0000577667 0.21890317 1.54111635 1.57307161 -8.8392611 -1.46746975 -1.58461544 -8.20981863 -0.11240246 2.79032402 -1.04721402 1.60152559 -8.06090461 -9.46318297 -22.12670051 -51.28427397 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1032350-13-2 24964624 170466896 A MK-2206 NC1(CCC1)c2ccc(cc2)c3nc5C=CN6C(=O)NN=C6c5cc3c4ccccc4 Tox21_113368_1 -NCGC00023230-10 196717637 tox21-ror-cho-viability-p1 set2 4 42.1632496022 -20.5044852879 -1 -21.5044852879 0.6 0.6057851858 0.0933726071 -1.74070709 -1.48823767 1.34136884 0.63904641 -0.04724227 -2.58395737 0.87314294 -2.0907215 -2.48056099 -9.83774057 -3.79645909 -3.30074719 -5.18089658 -4.82097245 -16.25373774 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 128-62-1 275196 170465539 A Noscapine COc3c5OCOc5cc4CCN(C)[C@@H]([C@H]2OC(=O)c1c(OC)c(ccc12)OC)c34 Tox21_110413_1 -NCGC00018204-13 196718046 tox21-ror-cho-viability-p1 set2 4 -2.27841868 -2.17229662 -5.48915262 -2.52617994 -0.12188052 -2.55946287 1.43183919 -2.35803412 -4.25018671 -3.24144673 -3.69064972 0.231693 -2.77319143 0.99455747 -4.22671533 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 42971-09-5 443955 170465859 A Vinpocetine O=C(OCC)C1=C[C@@]5(CCCN4CCc3c(n1c2ccccc23)[C@@H]45)CC Tox21_110648_1 -NCGC00165971-02 196718057 tox21-ror-cho-viability-p1 set2 4 0.81946719 -0.42615574 1.24506957 3.8244539 8.28947288 4.34703799 8.06711496 6.62944144 4.31738815 2.1224673 1.54647829 1.56591078 3.02653325 1.48886138 2.1782815 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 306-94-5 9386 170466377 F Perflunafene FC2(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C2(F)F Tox21_112274_1 -NCGC00182552-02 196718063 tox21-ror-cho-viability-p1 set2 4 -2.18969144 0.91464999 -1.46265215 -9.23161392 -0.35219096 0.43100788 -8.07557845 -0.55508868 -0.52672718 1.88602767 -0.05237046 0.92115946 0.54288641 0.93793041 0.84511062 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 198904-31-3 148192 170465290 A Atazanavir CC(C)(C)[C@H](NC(=O)OC)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc2ccc(cc2)c3ccccn3 Tox21_113081_1 -NCGC00257379-01 196718460 tox21-ror-cho-viability-p1 set2 4 0.22424389 2.67483117 1.77467029 2.28192661 0.13358251 3.68294534 1.08426532 3.50154404 2.32290059 0.1647804 4.99300432 -0.14176594 0.43459392 0.38173301 -0.24355501 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-56-8 6654 144213697 Fns alpha-Pinene CC2(C)C1CC=C(C)C2C1 Tox21_303385 -NCGC00256946-01 196718471 tox21-ror-cho-viability-p1 set2 4 -0.77280672 -5.84496672 -3.15010849 1.61210375 -7.19430787 -9.22103329 0.43539861 -9.4260784 -1.33617183 -6.12649214 -0.1326731 -0.80761974 -1.81080702 -1.61005492 -0.46333775 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.00001889 0.00004225 0.00009447 141-32-2 8846 144213613 Fns Butyl acrylate C=CC(=O)OCCCC Tox21_303296 -NCGC00256974-01 196718482 tox21-ror-cho-viability-p1 set2 4 -1.33953385 -2.00894423 -4.97739229 2.16409758 -8.54217221 -6.21342062 -3.67050569 -3.93311089 -2.7365478 -3.33584218 -0.23626026 -1.99052643 -4.95957665 1.21551437 -0.01828661 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-91-2 7837 144213462 Ac Glycidyl methacrylate CC(=C)C(=O)OCC1CO1 Tox21_303145 -NCGC00163818-04 196718877 tox21-ror-cho-viability-p1 set2 4 8.2073550576 -15.232195992 -1 -16.232195992 1.4641 0.8655287282 0.0013659225 -3.86103613 -0.69940966 0.77398611 -1.26703428 0.82465271 -2.06917324 -1.24983733 0.29053513 -6.70204224 -0.59916926 -3.32209712 -9.90903315 -14.1439439 -11.94704765 -17.69349666 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.00009723 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00256858-01 196718883 tox21-ror-cho-viability-p1 set2 4 -0.22833867 1.63955957 1.89372576 2.15819448 -0.84668357 5.86275896 0.89062804 4.98021634 5.51698501 0.25442992 8.55252521 4.42049993 3.71567495 1.65413127 0.41348164 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6378-65-0 22873 144212891 A Fc Hexyl hexanoate O=C(CCCCC)OCCCCCC Tox21_302574 -NCGC00256530-01 196718884 tox21-ror-cho-viability-p1 set2 4 0.84747345 1.42433135 2.06438147 6.35371209 2.53060506 5.83504806 2.29198385 3.72690804 1.05745111 2.70927907 1.95774854 0.28771772 1.49189778 2.9374712 4.11096518 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 62-56-6 2723790 144213084 A Thiourea NC(N)=S Tox21_302767 -NCGC00257854-01 196715589 tox21-ror-cho-viability-p1 set2 4 53.5421316653 10.8519633319 -1.3519633319 9.5 4.9549173134 0.7234329977 0.0291015981 -0.57880912 -0.42778059 -1.22821195 -6.12663611 -1.29362477 -2.04116949 -1.99538119 -0.0878897 -1.87069253 1.18117366 0.26818707 -2.75363693 -1.51018495 0.70772267 8.79679826 1.163E-9 2.5999999999E-9 5.813E-9 1.2999999999E-8 2.9069999999E-8 6.499E-8 1.453E-7 3.25E-7 7.266E-7 0.000001625 0.0000036329999999 0.000008124 0.00001817 0.000040619999999 0.00009083 1761-71-3 15660 144207498 I A 4,4'-Diaminodicyclohexylmethane NC2CCC(CC1CCC(N)CC1)CC2 Tox21_200300 -NCGC00254270-01 196715165 tox21-ror-cho-viability-p1 set2 -3 76.9588215421 -43.6379441719 -4 -47.6379441719 4.9549173134 0.7917990098 0.0093951217 -0.78207276 -0.74127097 -2.44019401 0.33961701 -2.75474863 -2.16755261 -7.56288873 -15.11393073 -0.1120967 -8.37741084 -4.42996763 -6.77452638 -8.65135611 -2.19051164 -37.8078922 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2687-96-9 62459 144210692 A A 1-Dodecyl-2-pyrrolidinone O=C1CCCN1CCCCCCCCCCCC Tox21_300374 -NCGC00257515-01 196726787 tox21-ror-cho-viability-p1 set3 4 6.8589621897 9.8330370599 -4.8330370599 5 4.9549173134 0.3676561849 0.302845416 -0.58590694 -1.53610125 2.77190993 -3.06557929 -0.7431502 -3.43257298 0.9153598 -14.26517377 -3.59572538 -14.44419755 -14.16217028 3.38651784 4.609595 6.16659096 4.06170761 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 50-21-5 612 144213921 Ac Ac Lactic acid O=C(O)C(C)O Tox21_303616 -NCGC00257197-01 196726777 tox21-ror-cho-viability-p1 set3 4 15.3553036427 -14.540138532 2.5 -12.040138532 0.3 0.7446340391 0.021572319 1.07386565 3.67997846 0.72067578 0.46872943 1.04094215 -0.36386296 -0.66361124 -4.90110517 -0.29586204 -0.32297823 -1.11946633 -4.41635132 -4.78734251 -8.36678211 -6.0717042 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79277-27-3 73674 144213405 A Thifensulfuron-methyl O=S(=O)(NC(=O)Nc1nc(C)nc(OC)n1)c2ccsc2C(=O)OC Tox21_303088 -NCGC00256318-01 196726781 tox21-ror-cho-viability-p1 set3 4 -3.41396861 -5.9120901 -5.37076194 -4.53374556 1.58235247 -17.32984494 -18.26956088 -25.21246323 -23.89216294 0 0 -3.52612775 -0.90699617 -1.79828897 -3.62622511 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 680-31-9 12679 144213102 A A Hexamethylphosphoramide CN(C)P(=O)(N(C)C)N(C)C Tox21_302785 -NCGC00256974-01 196726784 tox21-ror-cho-viability-p1 set3 4 0.61795335 -0.33952097 0 0.66482095 -23.87766487 -2.0655841 -18.48203394 -1.58248734 -0.43292734 0 -0.69975139 1.45855024 -0.0725083 0.79506517 1.59039458 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-91-2 7837 144213462 Ac Glycidyl methacrylate CC(=C)C(=O)OCC1CO1 Tox21_303145 -NCGC00256424-01 196726789 tox21-ror-cho-viability-p1 set3 4 -0.44740649 0.9396852 -0.85987071 1.26374388 1.68445223 -1.60413782 0.53286584 11.09891908 8.6851729 -2.17730848 -0.51797324 0.66513472 0.76930049 1.69317816 0.15863217 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-10-3 985 144213283 A A Hexadecanoic acid O=C(O)CCCCCCCCCCCCCCC Tox21_302966 -NCGC00255271-01 196726790 tox21-ror-cho-viability-p1 set3 4 5.60280165 0.82477843 1.53294073 -0.54077112 4.88067206 4.40611056 -0.48425385 0.3705103 1.64519327 0.7006506 2.09438358 -0.63427107 -0.77828454 0.03823239 1.31550976 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63612-50-0 4493 144211906 A A Nilutamide FC(F)(F)c1cc(ccc1[N+]([O-])=O)N2C(=O)C(C)(C)NC2=O Tox21_301589 -NCGC00256660-01 196726800 tox21-ror-cho-viability-p1 set3 4 0.0172289341 16.053082068 -20.053082068 -4 4.9549173134 0.653108382 0.0622073688 -17.40755842 -19.85162586 -22.12756839 -16.79079971 -2.04559715 0 0 0 0 0 -11.55983413 -16.6166661 -6.79908174 -7.167036 0.42317501 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-43-6 31294 144212768 A Carbamide peroxide NC(N)=O.OO Tox21_302451 -NCGC00256835-01 196727199 tox21-ror-cho-viability-p1 set3 4 28.0703581023 -9.7042299119 1 -8.7042299119 4.9549173134 0.6884737907 0.0543893078 -0.35856544 2.02780107 2.10240684 2.15073626 1.10424462 0.4266037 -1.38505322 2.36566106 -1.51957966 0.02934463 2.39786755 -1.33881331 1.78401712 -8.08685826 0.8936277 1.097E-9 2.4529999999E-9 5.485E-9 1.2269999999E-8 2.7429999999E-8 6.133E-8 1.371E-7 3.0659999999E-7 6.857E-7 0.0000015329999999 0.0000034279999999 0.000007666 0.00001714 0.000038329999999 0.000085709999999 143983-91-9 60196432 144212818 Indium(III) chloride hydrate O.O.Cl[In](Cl)Cl Tox21_302501 -NCGC00257023-01 196727202 tox21-ror-cho-viability-p1 set3 4 -0.02497126 1.01701412 0.42448389 -1.03206727 0.49168052 5.89108978 5.919212 1.79500256 -20.01676925 5.25366319 -17.28003326 0.81104665 1.53772422 6.37642933 8.81115322 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 5332-73-0 1672 144213382 Fns 3-Methoxypropylamine NCCCOC Tox21_303065 -NCGC00256710-01 196727211 tox21-ror-cho-viability-p1 set3 4 6.29684707 -0.75897308 0.30335231 -0.65441083 4.76606086 0.53464709 4.75369839 0.16414069 -8.77015271 -21.97360974 -0.31338953 0.30508914 -0.84456738 1.1068208 0.96297232 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 31501-11-8 5352543 144212943 A Ac (3Z)-Hex-3-en-1-yl hexanoate O=C(CCCCC)OCC/C=C\CC Tox21_302626 -NCGC00256764-01 196727212 tox21-ror-cho-viability-p1 set3 4 0.68487394 2.51488378 0.35898807 1.09150478 0.159776 -0.45974649 -0.03972036 1.38340216 0.27132754 1.13458975 2.63367768 0.56451023 0.04383461 0.80528851 -0.06696954 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27593-23-3 33960 144212887 A A 6-Pentyl-2H-pyran-2-one O=C1C=CC=C(CCCCC)O1 Tox21_302570 -NCGC00256682-01 196727214 tox21-ror-cho-viability-p1 set3 4 3.05152944 -5.38949034 0 -15.52493865 0 0 0 0 0 0 0 -0.49912958 1.47927695 -6.03455 -5.22862603 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47140 57483158 144212796 D Isopropyl citrate (Mixture) OC(CC(=O)O)(CC(=O)O)C(=O)OC(C)C Tox21_302479 -NCGC00256453-01 196727613 tox21-ror-cho-viability-p1 set3 4 -0.03272565 -1.44999713 1.17998122 1.15786136 0.97248573 1.16977382 0.36929345 1.89197931 0.39083814 1.57623694 1.44964117 0.4657982 0.82584056 2.12851169 1.18153317 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 262-12-4 9216 144213148 A Ac Dibenzo-p-dioxin c1ccc2Oc3ccccc3Oc2c1 Tox21_302831 -NCGC00091830-04 196705811 tox21-ror-cho-viability-p1 set1 4 0.0611305649 -9.101813988 7.5 -1.601813988 2.4729283767 0.4322417364 0.2411678603 10.66540804 6.2155653 1.88226904 11.05544009 5.10054137 2.41632429 -0.43610972 -1.19603041 -16.33484499 1.89651515 -1.31757138 2.17379041 -0.36451178 -1.15906889 2.17884983 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00259598-01 196705814 tox21-ror-cho-viability-p1 set1 4 1.5887750976 -3.64167332 2 -1.64167332 4.9549173134 0.3767011441 0.314380673 1.08411924 2.8043223 2.34213855 2.21716986 0.86636423 4.86328024 0.23236709 0.51303165 5.21646648 0 -7.6180611 -0.92207319 1.24810525 0.03606548 0.8594004 1.214E-9 2.715E-9 6.07E-9 1.357E-8 3.035E-8 6.786E-8 1.517E-7 3.393E-7 7.587E-7 0.000001697 0.000003794 0.000008483 0.00001897 0.00004242 0.000094839999999 77-71-4 6491 144209247 A A 5,5-Dimethylhydantoin O=C1NC(=O)C(C)(C)N1 Tox21_202049 -NCGC00091643-08 196706214 tox21-ror-cho-viability-p1 set1 4 2.86305842 4.67437326 5.46443933 2.06541997 3.63953024 2.2064248 0.46831996 2.63825531 -16.25362349 6.00351885 4.2669037 3.40336151 -1.67964282 1.30356764 -0.32635908 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00258805-01 196706217 tox21-ror-cho-viability-p1 set1 4 -0.99014607 3.72486284 -0.17298896 -6.0978629 0.47421449 -3.93312746 -2.20634101 -2.37056048 4.99129415 0 0.82023873 0.09908772 -5.23435769 2.53004191 0.770905 1.244E-9 2.782E-9 6.221E-9 1.391E-8 3.111E-8 6.956E-8 1.5549999999E-7 3.478E-7 7.7769999999E-7 0.000001739 0.000003888 0.000008694 0.00001944 0.000043469999999 0.000097209999999 3068-88-0 18303 144208451 D beta-Butyrolactone O=C1CC(C)O1 Tox21_201253 -NCGC00259278-01 196706234 tox21-ror-cho-viability-p1 set1 4 61.130564862 -10.739782964 2 -8.739782964 2.6384283767 0.6472646427 0.0676289387 5.15454436 0.51757454 2.92447491 3.75238787 3.17560834 -0.21093428 2.24789543 0.69652894 3.88221797 0.44656273 0.22329872 1.57072275 0.49423155 -0.42878666 -6.03315247 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.299E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.00001844 0.00004124 0.00009222 84-74-2 3026 144208927 A A Dibutyl phthalate O=C(OCCCC)c1ccccc1C(=O)OCCCC Tox21_201729 -NCGC00257010-01 196707053 tox21-ror-cho-viability-p1 set1 -1.1 24.3365162115 -70.9898699231 -8.179822495 -79.1696924181 1.331 0.9250395107 0.0000735646 -8.38063463 -5.62933365 -7.13847309 -2.05599358 -7.73802116 -6.99292912 -12.11191296 -8.39169472 -12.51099573 -15.42236249 -15.38230553 -21.71155073 -27.63327108 -69.18229557 -62.19031834 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 67485-29-4 5281875 144213478 A A Hydramethylnon CC3(C)CN/C(=N\N=C(/C=C/c1ccc(cc1)C(F)(F)F)\C=C\c2ccc(cc2)C(F)(F)F)NC3 Tox21_303161 -NCGC00257352-01 196707464 tox21-ror-cho-viability-p1 set1 4 -0.66725284 3.63435888 1.70831301 0.20940929 -5.91850694 1.47787442 -0.36160248 -11.05882792 -14.94992824 1.96273218 0.43950225 1.36016226 1.36066317 1.03396451 -1.54991749 1.026E-9 2.295E-9 5.132E-9 1.148E-8 2.5659999999E-8 5.7379999999E-8 1.283E-7 2.8689999999E-7 6.4149999999E-7 0.000001434 0.0000032069999999 0.0000071719999999 0.00001604 0.00003586 0.000080189999999 604-75-1 4616 144213809 A A Oxazepam Clc1ccc2NC(=O)C(O)N=C(c2c1)c3ccccc3 Tox21_303501 -NCGC00256852-01 196707470 tox21-ror-cho-viability-p1 set1 4 -1.40835029 3.0616837 -0.35092948 2.9755902 3.48350202 1.17290237 1.62915966 2.61812256 4.6123163 0.69367549 5.02017922 2.38970259 0.86364797 2.46345338 10.21360657 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.962E-8 6.622E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 867-81-2 23679004 144212804 A A Sodium pantothenate [Na+].CC(C)(CO)[C@@H](O)C(=O)NCCC([O-])=O Tox21_302487 -NCGC00257161-01 196707480 tox21-ror-cho-viability-p1 set1 4 1.31142293 -0.29505318 1.03514215 0.06064667 0.80652046 0.9442988 -0.39828334 0.52997659 4.29565277 0.55125786 2.04396996 4.7093689 1.09053649 0.1692443 -0.46809394 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2461-15-6 17162 144213443 A Ac 2-Ethylhexyl glycidyl ether CCC(CCCC)COCC1CO1 Tox21_303126 -NCGC00091351-03 196707879 tox21-ror-cho-viability-p1 set1 4 1.53192985 1.83438845 1.59572126 1.67812339 -0.35720745 -1.09388129 11.55252236 4.59621818 0.88127063 -0.73323356 1.85014113 2.22175798 4.77726052 3.29876092 10.84013259 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00257505-01 196707888 tox21-ror-cho-viability-p1 set1 4 -2.19694422 0.81954018 -0.07624637 -0.16760429 -3.05272964 1.31983958 0.68986831 -4.09553785 -7.44220553 0.07455334 -0.21836323 2.28663778 -3.90133962 -0.33930054 -0.33975359 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 113-92-8 5284366 144213766 A A Chlorpheniramine maleate [O-]C(=O)\C=C/C(=O)O.Clc1ccc(cc1)C(CC[NH+](C)C)c2ccccn2 Tox21_303456 -NCGC00258917-01 196706240 tox21-ror-cho-viability-p1 set1 4 44.4681154066 -12.85508468 -2 -14.85508468 0.9999999999 0.4856007293 0.1927708403 1.2329172 -1.44236966 -0.87581434 -8.83068944 -1.10419513 -3.52041393 0.18141327 -0.6573396 -1.81096845 -4.00398442 1.94326804 -6.85978733 -7.73551404 -5.7608985 -11.5459039 1.2069999999E-9 2.699E-9 6.0359999999E-9 1.3499999999E-8 3.0179999999E-8 6.7479999999E-8 1.509E-7 3.3739999999E-7 7.5449999999E-7 0.000001687 0.0000037719999999 0.000008435 0.00001886 0.00004218 0.00009431 2231-57-4 2724189 144208563 Thiocarbazide NNC(=S)NN Tox21_201365 -NCGC00259664-01 196705821 tox21-ror-cho-viability-p1 set1 4 2.7537499 0.80524239 -0.07279291 -1.57164873 1.23075401 -0.80008026 -1.45931337 -0.53985833 1.12681632 0 -2.38319475 -0.44004719 -4.56047848 2.16376419 0.07913057 1.202E-9 2.6889999999E-9 6.0119999999E-9 1.344E-8 3.006E-8 6.722E-8 1.503E-7 3.361E-7 7.516E-7 0.0000016809999999 0.000003758 0.000008403 0.000018789999999 0.00004201 0.00009394 95-76-1 7257 144209313 A A 3,4-Dichloroaniline Nc1cc(Cl)c(Cl)cc1 Tox21_202115 -NCGC00259867-01 196706582 tox21-ror-cho-viability-p1 set1 4 -0.93129134 10.72002152 0.10613933 1.70354687 5.71180676 -0.23655952 0.4466813 1.94092882 -15.50597481 0.65656032 -0.05202389 0.49835129 -1.24044208 2.95697561 0.10026209 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.6509999999E-8 1.487E-7 3.325E-7 7.436E-7 0.000001663 0.000003718 0.000008313 0.00001859 0.00004157 0.000092939999999 99-76-3 7456 144209516 A A Methylparaben Oc1ccc(cc1)C(=O)OC Tox21_202318 -NCGC00259468-01 196706179 tox21-ror-cho-viability-p1 set1 4 2.7639584271 7.270579112 -5.270579112 2 4.9549173134 0.4268962877 0.2466685108 -6.25702002 -6.17261683 -4.8284657 -7.07045943 -4.11601088 -6.15195855 -2.71138353 -0.87097193 -3.44651952 -14.39214926 7.01372065 -3.9996771 3.17026793 4.75732836 -0.9853144 1.1919999999E-9 2.6649999999E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.662E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004164 0.000093099999999 2216-51-5 16666 144209117 A A (1R,2S,5R)-(-)-Menthol CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O Tox21_201919 -NCGC00259435-01 196706577 tox21-ror-cho-viability-p1 set1 4 -7.41428054 -8.10475999 -10.9649385 -11.41611845 -7.44236427 -11.25553803 -7.87783726 -7.95178444 -5.46972877 -13.54028407 -1.32108036 -15.77992102 -10.33671438 -4.81553466 -10.72144006 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.6509999999E-8 1.487E-7 3.325E-7 7.436E-7 0.000001663 0.000003718 0.000008313 0.00001859 0.00004157 0.000092939999999 318-98-9 62882 144209084 A A Propranolol hydrochloride Cl.CC(C)NCC(O)COc2cccc1ccccc12 Tox21_201886 -NCGC00163815-04 196706578 tox21-ror-cho-viability-p1 set1 -2.1 73.1481289466 -80.8687510105 -6.800004445 -87.6687554555 3.1319983358 0.8998236345 0.0003245901 -11.57148784 -9.82301913 -15.77294853 -11.58524065 -1.75828426 -8.45793652 -12.19441552 -6.19813057 1.58432062 0 -3.76583176 -13.06036829 -8.19624841 -20.64592309 -66.41572383 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00164077-02 196706591 tox21-ror-cho-viability-p1 set1 4 8.77270889 -0.67252872 6.08790583 3.44050869 2.92920944 1.39375596 0.90301485 -1.1522446 -11.76545744 1.18153561 1.17884942 0.39729063 3.73626653 5.7429792 5.03290809 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00259074-01 196706595 tox21-ror-cho-viability-p1 set1 4 0.0024336516 -9.379209008 6 -3.379209008 3.5117481694 0.3645476302 0.3074295494 5.52078532 0.88587925 -4.9484892 -7.11822487 -3.32936731 -4.74014018 0.17694324 1.03812999 0.76601985 -1.65309894 0.48441385 -9.89934084 -7.57205368 -6.15287717 -3.3577789 1.18E-9 2.6389999999E-9 5.9009999999E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.299E-7 7.376E-7 0.000001649 0.000003688 0.0000082469999999 0.00001844 0.000041229999999 0.0000922 125-31-5 67172 144208722 A Fc p-Xylenol blue Cc1cc(c(C)cc1O)C3(OS(=O)(=O)c2ccccc23)c4cc(C)c(O)cc4C Tox21_201524 -NCGC00256575-01 196706992 tox21-ror-cho-viability-p1 set1 -2.2 24.3365162115 -32.0603550359 1 -31.0603550359 1.98874246 0.9753464456 1.589E-7 2.13144447 0.43511367 -0.63753352 0.03425374 -0.39193572 0.4726212 1.83261644 0.9957989 3.12190732 1.38967574 0.69051753 -0.30891019 -13.44865005 -20.28533513 -30.46696253 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33229-34-4 36383 144213264 A A HC Blue 2 OCCN(CCO)c1ccc(NCCO)c(c1)[N+]([O-])=O Tox21_302947 -NCGC00256698-01 196706995 tox21-ror-cho-viability-p1 set1 4 19.3311819617 8.266923436 -14.271200432 -6.004276996 4.9549173134 0.3682863461 0.3032084431 -11.26715328 -8.98960732 -9.95774286 -11.30188573 -14.59033887 -16.0835497 -13.09366505 -8.73925697 -20.12336994 -20.22600036 -16.95876874 -18.70318851 -9.93192654 -8.11025991 -4.17023083 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 1191-62-4 14493 144213926 F Bc 1,8-Octanedithiol SCCCCCCCCS Tox21_303621 -NCGC00257333-01 196707040 tox21-ror-cho-viability-p1 set1 4 0.0057325755 -12.7698103241 -1.3389065159 -14.10871684 0.5 0.3054132546 0.3630804622 -6.30503872 -3.93893864 -13.82048753 -5.71376792 -12.91975942 -14.41261888 -3.61575543 -12.01679918 -17.865438 -15.925157 -20.9239307 -10.85001333 -9.39291871 -13.72853299 -14.67540789 1.8069999999E-9 4.04E-9 9.0329999999E-9 2.02E-8 4.5159999999E-8 1.01E-7 2.258E-7 5.049E-7 0.000001129 0.000002525 0.0000056449999999 0.00001262 0.00002823 0.000063119999999 0.0001411 9004-96-0 5364420 144213785 F A Polyoxyethylene monoleate O=C(CCCCCCC/C=C\CCCCCCCC)OCCO Tox21_303475 -NCGC00257054-01 196707034 tox21-ror-cho-viability-p1 set1 4 8.6349217992 10.3766035839 -5.3766035839 5 4.9549173134 0.3925192716 0.295749657 -0.39657272 0.64490724 -3.02960841 -4.3272081 2.58158349 -9.62110858 -7.25041371 -5.08630428 -9.02668851 -15.31383632 -9.98970455 -0.45215137 3.07251686 6.35975591 -9.92352719 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 615-54-3 12002 144213548 A Ac 1,2,4-Tribromobenzene Brc1cc(Br)c(Br)cc1 Tox21_303231 -NCGC00257465-01 196707035 tox21-ror-cho-viability-p1 set1 4 -0.90182179 -2.5122995 -3.86827255 -1.31406832 3.98197092 -0.99404652 -0.10250756 -3.35606066 -2.29329804 -0.31741445 -1.25708074 -0.36494952 -1.03470969 0.86617456 -7.31111565 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 501-36-0 445154 144213690 A A Resveratrol Oc2cc(/C=C/c1ccc(O)cc1)cc(O)c2 Tox21_303376 -NCGC00256343-01 196707039 tox21-ror-cho-viability-p1 set1 4 0.11382254 -5.37122111 -1.41971564 2.37623723 0.85847801 0.22070233 -1.35059355 1.88454889 -2.10296691 0.4087592 -3.18463624 -5.19382097 8.51503117 0.11224719 5.2705956 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-89-2 6046 144213184 A A N-Nitrosomorpholine O=NN1CCOCC1 Tox21_302867 -NCGC00254402-01 196719750 tox21-ror-cho-viability-p1 set3 4 0.19066288 0.45651112 1.38730064 8.3523157 4.02116724 2.02522835 -0.60395299 1.34616943 1.02483884 0.23948552 0.66619373 0.09546248 0.00155115 0.03028068 0.87878222 1.066E-9 2.385E-9 5.3319999999E-9 1.192E-8 2.666E-8 5.962E-8 1.3329999999E-7 2.9809999999E-7 6.665E-7 0.00000149 0.000003333 0.000007452 0.00001666 0.00003726 0.00008332 124378-77-4 60768 144210744 A A Enadoline O=C(Cc2cccc1occc12)N(C)[C@H]3CC[C@]5(C[C@@H]3N4CCCC4)CCCO5 Tox21_300426 -NCGC00164164-02 196719340 tox21-ror-cho-viability-p1 set2 4 -3.91232063 -2.78045808 -2.92265256 -8.52252819 -4.7874212 -3.10697713 1.74633744 -0.2602088 -2.29370768 -7.86973044 -5.85589498 -1.03844417 -3.8554309 1.87172611 -4.96323806 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00254442-01 196719734 tox21-ror-cho-viability-p1 set3 4 12.1971512362 -27.7640957759 12 -15.7640957759 0.7999999999 0.6569736021 0.0599326354 -0.67993633 6.57809601 23.82184523 16.72404958 8.31623734 19.22495536 7.72751858 9.0462908 10.20047694 8.98582759 0.71009805 0.43436518 -1.50516563 -7.45358151 -13.13674648 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-85-7 6950 144210739 A A Dinoseb O=[N+]([O-])c1cc(cc(C(C)CC)c1O)[N+]([O-])=O Tox21_300421 -NCGC00254121-01 196719744 tox21-ror-cho-viability-p1 set3 2.2 23.2496081035 43.1161073242 3.479228352 46.5953356762 1.0999999999 0.7334652082 0.0315641801 7.61655302 -2.10064304 4.96535847 4.76057356 14.02822625 1.60507409 -0.8532998 7.71051136 7.99299665 7.33825898 8.95376059 7.45229481 16.32760789 37.34836831 29.05736006 1.032E-9 2.308E-9 5.161E-9 1.154E-8 2.5809999999E-8 5.77E-8 1.29E-7 2.8849999999E-7 6.452E-7 0.000001443 0.0000032259999999 0.0000072129999999 0.00001613 0.00003607 0.00008065 140-64-7 8813 144210632 A A Pentamidine isethionate OCCS(=O)(=O)O.OCCS(=O)(=O)O.N=C(N)c1ccc(cc1)OCCCCCOc2ccc(cc2)C(=N)N Tox21_300312 -NCGC00254966-01 196719753 tox21-ror-cho-viability-p1 set3 4 0.31927749 -5.02026963 -6.55154369 -11.41329999 0.36837672 13.17953135 -7.1362478 -4.40737195 -5.13969486 -1.58133943 -1.46697623 5.21133928 -0.94988919 -4.35491597 -9.86982262 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 82657-04-3 5281872 144211381 A A Bifenthrin Cl\C(=C/C3C(C(=O)OCc2cccc(c1ccccc1)c2C)C3(C)C)C(F)(F)F Tox21_301064 -NCGC00254429-01 196720157 tox21-ror-cho-viability-p1 set3 4 -0.70906474 4.0633807 2.72723129 -16.55096106 1.55988264 0.4962937 2.16347259 2.37774913 3.5411734 -1.57731316 0.26175927 3.02064002 -3.02478702 -0.55452343 -2.40999579 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_47267 10132209 144210752 A A CP-642931 C[C@@H](O)c1nccc(n1)N2[C@H](C)CN(C[C@@H]2C)c3nc(C)nc(C)n3 Tox21_300434 -NCGC00179366-03 196717245 tox21-ror-cho-viability-p1 set2 3 33.4914596268 61.5151509994 -0.3306079605 61.1845430389 4.9549173134 0.9721228083 3.2E-7 -0.7509774 1.6387392 -0.46912543 -2.79180232 -2.9007289 -0.09223994 1.30013284 -2.13361554 -2.58861288 -1.65778809 -0.0111643 2.06265742 5.1639541 3.26278657 54.09393671 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 73231-34-2 114811 170465648 A Florfenicol O=S(C)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CF)NC(=O)C(Cl)Cl Tox21_110683_1 -NCGC00016016-18 196717235 tox21-ror-cho-viability-p1 set2 4 0.55224106 0.09034851 0.37933618 1.92907073 2.04586179 1.87775674 -0.20680422 3.93483568 0.30612275 0.52570949 2.80519475 0.44877288 0.00617118 0.6985444 2.82565322 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 396-01-0 5546 170464706 A Triamterene Nc2nc(N)nc1nc(N)c(nc12)c3ccccc3 Tox21_110283_1 -NCGC00018117-17 196717237 tox21-ror-cho-viability-p1 set2 4 3.36660685 0.56391456 -2.01195926 -1.68213094 3.33512095 0.21801953 1.47290232 -1.98467448 1.59639568 -3.23930938 -0.2569342 -1.0701834 -2.63080253 0.40211624 2.34894937 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-55-9 2153 170466874 A Theophyllamine O=C2c1ncnc1N(C)C(=O)N2C Tox21_110827_1 -NCGC00015092-10 196717243 tox21-ror-cho-viability-p1 set2 4 0.3757803576 -6.2875881479 3 -3.2875881479 4.9549173134 0.8046167499 0.0103618413 1.98329537 1.70811407 0.93100518 1.59539403 4.04351009 3.24586777 5.20768565 5.79766484 0.07737269 -2.90393606 -5.23965679 -2.86102047 -1.91291337 -3.0517326 0.08174931 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60-32-2 564 170465057 F Aminocaproic acid NCCCCCC(=O)O Tox21_110081_1 -NCGC00095157-05 196717249 tox21-ror-cho-viability-p1 set2 -2.4 18.8336317891 -32.060419472 2 -30.060419472 2.2526478767 0.9564273745 0.0000039573 -0.01262992 -0.00176721 -0.51009422 3.17165394 4.98235654 3.67128041 3.9896943 2.25722947 2.39698302 4.43886826 -0.74516309 0.83760836 -3.23472048 -15.73055062 -26.30034956 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53716-50-0 40854 170466223 F Oxfendazole O=C(OC)Nc1nc2cc(ccc2n1)S(=O)c3ccccc3 Tox21_113444_1 -NCGC00255735-01 196728883 tox21-ror-cho-viability-p1 set3 4 0.0017228934 11.544589784 -10.544589784 1 4.9549173134 0.4889901338 0.2067302836 -9.20382482 -0.4043843 4.32185425 -0.40884345 3.47928433 1.3149404 5.44386654 -1.5107397 3.30596889 1.34305558 3.09180304 -1.87864001 -3.86552321 -2.753189 -1.07743161 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2595-54-2 17434 144212322 A A Mecarbam CCOP(=S)(OCC)SCC(=O)N(C)C(=O)OCC Tox21_302005 -NCGC00255719-01 196728862 tox21-ror-cho-viability-p1 set3 -2.4 68.5896218971 -29.806753848 -2 -31.806753848 3.1924983358 0.8699837312 0.0011648952 0.26651141 1.10703123 -1.86764432 -7.27374938 -1.71675435 -1.57265546 1.68693266 -0.41592289 -3.32905683 -2.36397976 -1.92373614 -3.27935338 -4.33456041 -6.20218856 -23.58896154 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 465-73-6 60196420 144211746 A A Isodrin ClC3=C(Cl)[C@]4(Cl)[C@@H]2[C@@H]1C[C@H](C=C1)[C@@H]2[C@@]3(Cl)C4(Cl)Cl Tox21_301429 -NCGC00255142-01 196728878 tox21-ror-cho-viability-p1 set3 4 2.7306020303 -8.8373941 1.5 -7.3373941 4.9549173134 0.3455462822 0.3398060059 0 -2.41659468 -4.04958291 4.69239167 6.6864998 -6.67135318 9.26271714 6.93945155 -6.74122136 6.35165594 -7.12287689 -10.28116175 -8.79477577 -2.31297055 -2.98347422 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15520-10-2 85862 144211863 Ac F 2-Methylpentanediamine CC(CCCN)CN Tox21_301546 -NCGC00255646-01 196728881 tox21-ror-cho-viability-p1 set3 4 -1.03678714 1.95541777 10.60262271 -5.06582523 -10.62765626 -4.93964564 8.89084451 -5.34817829 -7.81812723 -10.18496046 4.65396009 4.603291 5.12714441 2.90370056 7.3559773 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5973-71-7 22278 144211955 A F 3,4-Dimethylbenzaldehyde Cc1ccc(C=O)cc1C Tox21_301638 -NCGC00256115-01 196728884 tox21-ror-cho-viability-p1 set3 4 4.75802988 -5.26501465 0.03822015 -2.91579384 -0.29473498 -0.41988318 2.59056797 -2.11371227 0.62396314 -0.16509482 1.08685635 -0.3050673 -1.78162465 -2.66755072 -5.69461901 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57609-64-0 93312 144212018 A A Propane-1,3-diyl bis(4-aminobenzoate) Nc1ccc(cc1)C(=O)OCCCOC(=O)c2ccc(N)cc2 Tox21_301701 -NCGC00022612-11 196726029 tox21-ror-cho-viability-p1 set3 4 3.81187923 3.99482365 2.6433408 6.79362491 2.56176128 5.27134208 4.10828562 0.08705373 8.89567575 5.58061958 4.96087318 -0.59389118 0.17017717 7.3795817 3.81949518 1.1799999999E-10 2.638E-10 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 53994-73-3 51039 170464885 Cc Cefaclor ClC=3CS[C@H]2N(C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C=3C(=O)O Tox21_110880_1 -NCGC00181911-01 196726020 tox21-ror-cho-viability-p1 set3 4 0.40936887 2.4109003 1.42624807 3.65022028 6.18046477 3.22282974 7.79595166 9.62012841 1.84427515 -0.01590013 0.89844408 4.17351725 2.9684416 5.01027712 6.704745 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 841-73-6 2461 144206890 B C Bucolome O=C2C(CCCC)C(=O)NC(=O)N2C1CCCCC1 Tox21_113339 -NCGC00163771-03 196726021 tox21-ror-cho-viability-p1 set3 4 1.9862465 4.15312358 4.47123425 4.48780525 7.80428066 1.60643725 4.70062462 11.65138674 12.01795526 13.79660253 7.25497982 6.839252 8.29092899 -0.82762396 3.69136501 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00091351-03 196726024 tox21-ror-cho-viability-p1 set3 4 1.10298716 1.61772256 -0.16334226 1.60935319 2.13470137 1.10565066 2.51090913 3.57234297 2.31778394 -1.24817295 -0.13739393 1.10478153 -0.59863798 0.64792873 -1.24854014 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00015207-12 196726032 tox21-ror-cho-viability-p1 set3 4 1.1883218301 -18.6058887119 5.5 -13.1058887119 0.2 0.5902074365 0.1049621673 0.72434659 0.77358622 7.95304523 -0.7297381 -2.81082838 -2.21680115 1.47838566 -3.18383719 -5.20775677 -3.8832716 -2.5476598 -1.93832315 -5.82773691 -6.01729949 -9.25490726 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 73963-72-1 2754 170465347 A Cilostazol O=C1CCc2cc(ccc2N1)OCCCCc4nnnn4C3CCCCC3 Tox21_110098_1 -NCGC00091505-07 196726035 tox21-ror-cho-viability-p1 set3 4 0.0007497804 14.855965752 -15.855965752 -1 4.9549173134 0.8449807243 0.0026950216 -12.37997146 -1.34325242 -1.17589329 0.14833341 -0.92169978 -0.74236125 -1.4999299 -1.18112496 0.35976139 -3.97287422 -2.65975254 -2.30678944 -0.56200442 -1.68333945 0.93862079 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67-20-9 4509 170464739 A Nitrofurantoin O=[N+]([O-])c2ccc(/C=N/N1CC(=O)NC1=O)o2 Tox21_111142_1 -NCGC00091253-05 196726040 tox21-ror-cho-viability-p1 set3 4 1.97049727 0.58523142 -1.62997388 1.88766151 1.43909017 2.82528668 6.81098151 2.40571463 1.34637151 3.13700253 2.61641187 0.77849917 -0.49021492 -0.26214941 -0.2774901 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00164077-02 196707501 tox21-ror-cho-viability-p1 set1 4 -0.40878776 -0.84236015 1.15656317 2.0634046 -1.68014657 -0.59988291 -0.79102133 2.40475761 -20.13613707 1.91487959 2.2064891 -8.25401531 1.56137939 1.31068519 -12.30143689 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00257355-01 196707916 tox21-ror-cho-viability-p1 set1 4 0.0043277126 -11.12863722 5 -6.12863722 1.92824246 0.5115009009 0.1689457125 4.05076561 2.34927867 -2.91359322 -2.90065617 -9.52080703 -3.4498156 -6.36063068 -8.6392692 -13.02386435 -5.41783623 -1.11260797 -0.07838042 -6.43920054 -8.76057871 -8.02687981 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1671-75-6 74282 144213849 A F Heptanophenone O=C(CCCCCC)c1ccccc1 Tox21_303543 -NCGC00256943-01 196707494 tox21-ror-cho-viability-p1 set1 4 -2.44246728 -0.78963424 3.31180372 0.23366782 -14.41155762 -0.12659412 -0.70161555 0.05940692 -9.0725604 -0.96243605 -7.32472155 0.91322264 -7.09708958 2.72339709 -4.06558796 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-96-2 7211 144213570 A I 2-Ethyl-1,3-hexanediol CCCC(O)C(CC)CO Tox21_303253 -NCGC00256448-01 196707902 tox21-ror-cho-viability-p1 set1 4 0.46959175 0.46873397 -0.5713358 0.43174033 -3.20904768 -0.92546467 4.21476806 -0.15822501 4.62480651 -7.24113825 0.31915391 -0.1895141 -9.82997189 -0.74157841 6.45172241 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-20-3 24730 144213065 A A Triisopropanolamine CC(O)CN(CC(C)O)CC(O)C Tox21_302748 -NCGC00257390-01 196707920 tox21-ror-cho-viability-p1 set1 4 0.0621448 0.22423962 -2.28209745 -2.19169207 -0.00001924 3.25809171 1.97895575 -2.28703964 -2.64449463 -0.17254572 -3.6413264 -0.2437895 3.1401596 -0.02911411 1.82406397 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2396-68-1 75454 144213862 Z A 4-tert-Butylbenzenethiol CC(C)(C)c1ccc(S)cc1 Tox21_303557 -NCGC00257068-01 196707924 tox21-ror-cho-viability-p1 set1 4 6.53715085 1.42364679 1.67961319 -9.17945497 0.80835518 2.15782144 0.84420811 0.10044442 1.08150357 -10.25482347 -0.05970201 -0.43239142 6.40393132 -0.96755785 4.56152282 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 626-17-5 12276 144213507 A A 1,3-Benzenedicarbonitrile N#Cc1cccc(C#N)c1 Tox21_303190 -NCGC00256806-01 196708318 tox21-ror-cho-viability-p1 set1 4 68.5896218971 12.015911132 1.484088868 13.5 3.9294729863 0.7166252497 0.0320070105 -0.41336986 1.1209945 1.0716106 -0.0403462 1.72929657 3.28635187 0.07089975 4.72716934 2.49444217 2.82430211 2.1821451 -0.84659261 1.86356403 2.85556334 10.63517491 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55418-52-5 62098 144212975 A A Piperonyl acetone CC(=O)CCc1ccc2OCOc2c1 Tox21_302658 -NCGC00256431-01 196708319 tox21-ror-cho-viability-p1 set1 4 24.3365162115 14.941040076 -10.941040076 4 4.9549173134 0.7063929323 0.0354118784 -8.6502278 -9.62871981 -12.29197064 -5.02333858 -12.67393207 -10.47595498 -11.99735388 -8.81420649 -18.70086673 -6.03120843 -12.91466003 -10.69310265 -8.35677811 4.96254258 2.57653907 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 538-23-8 10850 144213079 A Tricaprylin O=C(CCCCCCC)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC Tox21_302762 -NCGC00256612-01 196708324 tox21-ror-cho-viability-p1 set1 4 54.4826732819 -10.259443352 1 -9.259443352 3.9294729863 0.6256477623 0.0809167319 5.14327258 1.01956891 0.45339824 0.24912137 0.55942014 -1.9505502 2.31168323 0.93289161 -2.9767798 1.01733748 0.47896568 2.55567004 1.06098444 -1.83471986 -8.13286946 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 118-55-8 8361 144213266 A A Phenyl salicylate Oc2ccccc2C(=O)Oc1ccccc1 Tox21_302949 -NCGC00257426-01 196708325 tox21-ror-cho-viability-p1 set1 4 0.0043277126 95.5155493351 -93.7283039172 1.7872454179 2.4063783767 0.9814224369 3.1E-8 -86.78546659 -75.85215796 -24.58998442 -12.4305035 -3.51465582 -0.26499564 2.59992223 -0.61842387 3.72585599 1.82498407 1.07986805 5.67961943 0.17712098 7.33328798 7.46962505 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 625114-41-2 10432339 144213898 A A Piragliatin O=C(Nc1cnccn1)[C@H](C[C@@H]2CC(=O)CC2)c3ccc(c(Cl)c3)S(C)(=O)=O Tox21_303593 -NCGC00257024-01 196708338 tox21-ror-cho-viability-p1 set1 4 5.4482673282 -27.228642124 -1 -28.228642124 0.2 0.5297762004 0.1526278371 -4.06726742 -7.07036262 -4.24562652 -11.22739981 -11.36861243 -10.43863485 1.47647896 -11.96415083 -15.17635583 -16.8062779 -12.37950149 -16.79472157 -11.56530218 -16.8002151 -20.60720177 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-33-3 5280450 144213397 F F Linoleic acid O=C(O)CCCCCCC/C=C\C/C=C\CCCCC Tox21_303080 -NCGC00256929-01 196708341 tox21-ror-cho-viability-p1 set1 4 68.5896218971 15.6574450639 -2.6574450639 13 4.9549173134 0.6178504923 0.0851292155 0.98001375 -3.78082828 -0.91949261 -5.81401892 -4.49863645 -7.63120422 0.39629306 -3.04434631 -1.31274122 -7.42586181 -0.58072104 -2.99369442 -0.57773719 -1.64447388 10.1982453 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-42-9 8050 144213377 A Fc Methyl decanoate O=C(CCCCCCCCC)OC Tox21_303060 -NCGC00260009-01 196708742 tox21-ror-cho-viability-p1 set2 4 -4.30068151 -5.94333631 -4.86482751 -4.98204616 -0.7505464 -0.85785648 -0.71262197 -3.13326095 -0.31860757 -3.02573967 -0.77698306 -0.66772799 -1.21425499 -0.43332787 -1.3551297 1.211E-9 2.7079999999E-9 6.0549999999E-9 1.3539999999E-8 3.028E-8 6.7699999999E-8 1.514E-7 3.385E-7 7.569E-7 0.0000016919999999 0.0000037849999999 0.000008462 0.00001892 0.00004231 0.000094609999999 504-88-1 1678 144209658 A A 3-Nitropropionic acid [O-][N+](=O)CCC(=O)O Tox21_202460 -NCGC00257281-01 196708287 tox21-ror-cho-viability-p1 set1 4 -15.51900278 -7.9901584 -14.80134486 -6.71653167 -6.37331683 -18.10830794 -0.6557504 -18.69279538 0.12235982 -18.63697699 -19.80062335 -0.93460879 -17.82101901 -7.2828748 -14.07115643 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7659-86-1 24309 144213795 F A 2-Ethylhexyl sulfanylacetate CCC(CCCC)COC(=O)CS Tox21_303486 -NCGC00257240-01 196708289 tox21-ror-cho-viability-p1 set1 -1.1 15.3553036427 -85.1523727557 -3.583706344 -88.7360790997 2.2526478767 0.9797946193 5.03E-8 -3.08225048 -3.14782671 -1.10153117 -0.84996881 -1.44531473 -11.02628436 -2.56526396 -6.35070126 -6.01750029 -2.59842956 -3.8589414 -16.16305689 -60.14640795 -86.48740653 -78.95238568 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 1192-52-5 14503 144213717 F 4,5-Dichloro-3H-1,2-dithiol-3-one O=C1SSC(Cl)=C1Cl Tox21_303406 -NCGC00256671-01 196707871 tox21-ror-cho-viability-p1 set1 4 -4.06589036 -2.92259465 -18.54371474 -8.5951473 -11.65561837 -6.45839393 -12.3821173 -14.39849393 -6.29361157 -6.72187721 -4.17480809 -2.8004959 -8.62212568 -2.32575748 -5.75549364 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 108-29-2 7921 144212941 A 4-Pentanolide O=C1CCC(C)O1 Tox21_302624 -NCGC00257396-01 196708276 tox21-ror-cho-viability-p1 set1 4 79.2339963269 -9.6584898039 1 -8.6584898039 4.9549173134 0.3547028884 0.3192438698 4.76820127 -0.4702957 -0.82951454 1.86352599 1.68752595 -0.77288589 1.14185484 1.76404515 1.10507305 -5.7293843 2.01189461 4.09977211 1.35873905 1.83318351 -5.96540817 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.0000189 0.00004225 0.00009448 108-68-9 7948 144213687 A A 3,5-Dimethylphenol Cc1cc(O)cc(C)c1 Tox21_303372 -NCGC00259489-01 196708689 tox21-ror-cho-viability-p1 set2 4 -1.26632197 1.41328629 -0.54454608 -0.19858076 2.62914133 -5.10289753 -0.59396991 -0.3453086 0.784224 1.63262401 1.54560858 -0.80186776 2.31758626 4.31024744 3.94499691 1.177E-9 2.6319999999E-9 5.886E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.000003679 0.000008225 0.00001839 0.00004113 0.00009196 616-38-6 12021 144209138 FNS Dimethyl carbonate O=C(OC)OC Tox21_201940 -NCGC00258954-01 196708697 tox21-ror-cho-viability-p1 set2 4 0.0240645316 -7.5844162079 7.5 -0.0844162079 4.9549173134 0.4718224009 0.2046551732 3.2450908 0.8859387 12.97846122 13.25485787 0.02841182 -1.73310579 -0.08598774 -1.17406091 -2.45793519 -1.83260584 -2.57034684 3.20125702 3.19576059 0.73068776 2.58194154 1.1689999999E-9 2.615E-9 5.8469999999E-9 1.3069999999E-8 2.9229999999E-8 6.537E-8 1.462E-7 3.268E-7 7.308E-7 0.0000016339999999 0.0000036539999999 0.0000081709999999 0.00001827 0.00004086 0.000091349999999 112-63-0 5284421 144208601 A Ac Methyl linoleate O=C(CCCCCCC/C=C\C/C=C\CCCCC)OC Tox21_201403 -NCGC00090702-02 196709103 tox21-ror-cho-viability-p1 set2 4 -5.38052499 -5.21959493 0.26721125 -4.92218553 -4.60750239 -0.77711709 0.85202014 0.22726288 -5.25953991 -4.97891141 -5.91290212 -1.82651922 -0.22359604 -3.24926557 2.17632408 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00259557-01 196709115 tox21-ror-cho-viability-p1 set2 4 0.22822272 1.11093714 0.49180117 2.62573 0.15403309 -0.55698728 3.23439209 -1.70629415 -0.63449407 2.34551031 0.17208295 3.34826145 3.73697061 0.75017338 0.51234471 1.188E-9 2.656E-9 5.9389999999E-9 1.3279999999E-8 2.969E-8 6.64E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.000003712 0.0000083 0.00001856 0.0000415 0.00009279 81335-37-7 54739 144209206 A A Imazaquin CC1(N=C(NC1=O)c2nc3ccccc3cc2C(=O)O)C(C)C Tox21_202008 -NCGC00259284-01 196709117 tox21-ror-cho-viability-p1 set2 4 3.46641795 1.70752089 1.87685109 2.97442639 1.00697908 0.33920526 0.15052942 1.46744418 4.46171989 -0.01947749 3.99503168 4.15090601 7.63961171 3.65082544 0.13606443 1.158E-9 2.589E-9 5.789E-9 1.2939999999E-8 2.894E-8 6.472E-8 1.447E-7 3.2359999999E-7 7.2359999999E-7 0.000001618 0.000003618 0.0000080899999999 0.000018089999999 0.00004045 0.00009045 110-19-0 8038 144208933 FNS Isobutyl acetate CC(=O)OCC(C)C Tox21_201735 -NCGC00259747-01 196709517 tox21-ror-cho-viability-p1 set2 4 -5.71847609 1.67963037 -0.62849958 -4.76866948 -5.83670709 -1.27354598 -5.36604404 -3.10769902 -4.70991283 -4.75225587 -2.45339447 -1.63305863 -2.8341929 -5.79139403 -1.20132767 1.1779999999E-9 2.635E-9 5.891E-9 1.3169999999E-8 2.9459999999E-8 6.587E-8 1.4729999999E-7 3.2929999999E-7 7.364E-7 0.0000016469999999 0.0000036819999999 0.000008233 0.000018409999999 0.00004117 0.000092049999999 59-88-1 60962 144209396 F Phenylhydrazine hydrochloride Cl.NNc1ccccc1 Tox21_202198 -NCGC00090773-04 196709524 tox21-ror-cho-viability-p1 set2 4 -2.2458043 -0.27221843 -6.1555942 -0.20760302 0.36174686 -2.93190253 -0.12977613 -2.92796909 -3.73244786 -4.3994902 -0.17833718 -2.15842805 0.75428145 -0.1426111 0.30196155 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00259296-01 196709530 tox21-ror-cho-viability-p1 set2 4 0.36833753 -1.20284626 6.50068359 5.52830829 -0.2815523 -0.33206411 3.087902 0.70767955 0.47480617 -0.0322306 -0.62276386 1.4598261 -1.07873519 -0.40357174 3.73486578 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.629E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008287 0.00001853 0.000041429999999 0.00009265 89-25-8 4021 144208945 A C 1-Phenyl-3-methyl-5-pyrazolone O=C2CC(C)=NN2c1ccccc1 Tox21_201747 -NCGC00255423-01 196709928 tox21-ror-cho-viability-p1 set2 4 0.0015355304 13.5570044679 -14.0570044679 -0.5 4.9549173134 0.6831596035 0.0468089853 -11.71417039 -0.49243525 -1.96257023 -2.5969679 -2.51105305 -3.03540219 -0.85845484 -0.99744109 -0.89595958 -0.69238235 -2.30494916 0.40605168 3.59892903 3.10389456 -0.18983079 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2545-59-7 17349 144212233 A A 2,4,5-T-butotyl Clc1cc(OCC(=O)OCCOCCCC)c(Cl)cc1Cl Tox21_301916 -NCGC00257679-01 196716451 tox21-ror-cho-viability-p1 set2 4 -1.71294506 1.6493795 0.40666072 0.13859225 2.31942017 -0.22275858 4.08169477 -1.06031395 -0.89725132 2.39687464 1.52783858 0.58920722 1.4766644 1.51129554 3.76151688 1.202E-9 2.688E-9 6.01E-9 1.344E-8 3.005E-8 6.719E-8 1.5019999999E-7 3.36E-7 7.5119999999E-7 0.0000016799999999 0.0000037559999999 0.0000083989999999 0.00001878 0.00004199 0.0000939 823-40-5 13205 144207323 A A 2,6-Toluenediamine Nc1cccc(N)c1C Tox21_200125 -NCGC00258262-01 196716027 tox21-ror-cho-viability-p1 set2 4 0.08823299 -0.90107101 -1.91379383 -1.75662502 -0.44750915 -0.5614307 0.89648905 -1.97508298 2.61909652 -3.35079804 -2.14924871 1.27350276 -1.5580105 -4.23630704 -4.20421939 1.188E-9 2.656E-9 5.9389999999E-9 1.3279999999E-8 2.9699999999E-8 6.64E-8 1.4849999999E-7 3.32E-7 7.4239999999E-7 0.0000016599999999 0.000003712 0.0000083 0.00001856 0.0000415 0.000092799999999 403842-84-2 16212746 144207906 A A 1-Methyl-3-octylimidazolium trifluoromethanesulfonate FC(F)(F)S([O-])(=O)=O.C[n+]1ccn(CCCCCCCC)c1 Tox21_200708 -NCGC00257761-01 196716031 tox21-ror-cho-viability-p1 set2 4 2.64718055 3.32501325 5.97620511 3.47913899 1.97058192 4.12989207 2.43184271 5.11541003 1.48346039 3.98661423 2.36877561 3.8553924 1.90121393 1.67548777 -1.27746065 1.149E-9 2.569E-9 5.7449999999E-9 1.285E-8 2.8729999999E-8 6.4229999999E-8 1.436E-7 3.212E-7 7.182E-7 0.000001606 0.000003591 0.0000080289999999 0.00001795 0.00004015 0.000089769999999 106-88-7 7834 144207405 FNS 1,2-Epoxybutane CCC1CO1 Tox21_200207 -NCGC00090773-04 196716430 tox21-ror-cho-viability-p1 set2 4 39.2385527265 -10.723889248 1.5 -9.223889248 2.4063783767 0.7230988934 0.0291774985 0.02494706 3.03373951 1.01518969 -0.18171716 0.53436477 5.26833366 1.67158637 -1.25585969 0.20915827 -0.09126943 2.44479237 3.55736969 -0.0995327 -4.52805644 -8.10324104 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00166153-02 196716851 tox21-ror-cho-viability-p1 set2 4 33.4914596268 12.1132172879 -9.1132172879 3 4.9549173134 0.3511288928 0.3199203481 -15.09434774 -12.8530711 -12.48903866 -8.64238228 -8.21607602 -11.26056923 -1.55518492 -10.33315213 -9.2897365 -10.82074309 -1.42199043 -10.42540569 -9.23017059 -8.19623142 1.12945598 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 38083-17-9 37907 170465557 A Climbazole CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2ccnc2 Tox21_112343_1 -NCGC00091493-09 196717276 tox21-ror-cho-viability-p1 set2 4 0.5115344 -0.70080178 0.12333023 -1.60174173 0.60418773 1.21980186 0.29450455 0.52821785 -1.71311828 5.26720945 0.38109492 -0.09619902 -1.59314044 4.47149641 -0.29021688 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104-46-1 7703 170465678 F Anethole COc1ccc(C=CC)cc1 Tox21_111139_1 -NCGC00253650-01 196717683 tox21-ror-cho-viability-p1 set2 -2.1 11.8832183006 -90.2645116106 -0.053420989 -90.3179325996 1.4163171 0.9907384568 5E-10 -1.96925272 1.18954871 -0.8018127 0.26533285 1.2610305 -1.38265661 -1.70958586 1.71306088 1.90649452 -1.79641397 -11.00588596 -18.39505922 -36.01460291 -58.67001072 -83.62771537 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7724-76-7 24405 170466472 A A Riboprine C/C(C)=C\CNc3ncnc1c3ncn1[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O Tox21_113776 -NCGC00016221-06 196717693 tox21-ror-cho-viability-p1 set2 4 0.0473079441 11.2944816919 -9.7944816919 1.5 1.2221 0.8513758643 0.0021786839 -8.57419103 -7.60623384 -9.49681677 -13.99540141 -6.00948166 -4.715304 -1.99053783 -3.05148887 1.912821 -0.10073761 3.59422551 0.01406993 1.39991931 0.13909204 3.26835697 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-42-0 5763 170466520 A Adiphenine hydrochloride Cl.CCN(CC)CCOC(=O)C(c1ccccc1)c2ccccc2 Tox21_111379_1 -NCGC00024717-08 196717694 tox21-ror-cho-viability-p1 set2 4 -0.30665386 0.06750852 -2.79542119 -4.15063115 0.52610981 -2.27007952 2.19301869 -4.51370863 0.61059479 -2.00652528 0.97318812 -3.63269588 -1.350587 -3.87832693 -3.86315187 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50903-99-6 39836 170466867 Z L-NAME N[C@@H](CCCNC(\N)=N\[N+]([O-])=O)C(=O)OC Tox21_110920_1 -NCGC00247725-01 196717698 tox21-ror-cho-viability-p1 set2 2.1 101.4675107306 71.7884820844 5.5986928339 77.3871749183 3.5722481694 0.8256121364 0.0044133982 2.38119399 1.97671454 3.38714581 14.16214448 15.3591672 15.93944783 13.64699821 13.35783093 1.53060882 2.74272878 13.46185284 4.76495027 3.88940649 16.34830395 60.54368048 1.7999999999E-9 4.0239999999E-9 8.998E-9 2.0119999999E-8 4.499E-8 1.0059999999E-7 2.25E-7 5.03E-7 0.000001125 0.000002515 0.0000056239999999 0.00001258 0.00002812 0.00006288 0.00014059999999 NOCAS_48895 60196334 144206444 B B N,N-Diethyltryptamine fumarate O=C(O)/C=C/C(=O)O.CCN(CC)CCc2cnc1ccccc12.CCN(CC)CCc2cnc1ccccc12 Tox21_112891 -NCGC00163329-03 196717699 tox21-ror-cho-viability-p1 set2 4 -1.10274949 -8.96354499 -2.10882065 -0.12781886 -3.62374928 -4.01411436 -3.21980798 1.34851941 -1.45137692 -3.30797191 -1.90307639 -0.0565092 -4.48335709 0.85977352 -2.53516088 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 135046-48-9 115366 170465231 A Clopidogrel bisulfate O=S(=O)(O)O.Clc1ccccc1[C@H](N2CCc3sccc3C2)C(=O)OC Tox21_111570_1 -NCGC00255034-01 196713979 tox21-ror-cho-viability-p1 set2 4 -0.4771806 1.53294731 0.71222523 -0.69212854 2.70451793 1.42870071 0.30413326 0.04774547 1.66588051 2.45550625 1.00619372 2.19851928 1.03432908 -0.05597576 -0.00128998 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88671-89-0 6336 144211452 A A Myclobutanil Clc1ccc(cc1)C(CCCC)(Cn2cncn2)C#N Tox21_301135 -NCGC00255547-01 196728189 tox21-ror-cho-viability-p1 set3 4 9.6885416101 -26.046000436 9 -17.046000436 0.4999999999 0.6115493456 0.1022665353 0.36150192 12.5193557 16.6257168 14.2309614 5.91875888 0.21226022 4.05218559 0.68566569 3.86447909 5.11348596 1.70814532 -0.87561514 -8.4121471 -10.87166703 0.16144775 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-24-1 66598 144212566 A Bc Ethyl 2-methylbenzoate O=C(OCC)c1ccccc1C Tox21_302249 -NCGC00091009-05 196727774 tox21-ror-cho-viability-p1 set3 4 48.9356919594 -13.771035916 3.5 -10.271035916 1.8579476909 0.4544045026 0.2214174499 8.17006045 1.36438456 1.20988603 0.1352548 0.36343843 5.42282101 5.62827397 5.7430268 4.22669961 8.04126732 -3.18697654 4.96923522 0.63643844 -0.93837272 -6.89252993 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.00003772 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00256451-01 196727784 tox21-ror-cho-viability-p1 set3 -2.4 61.130564862 -38.645606416 0 -38.645606416 2.3531167061 0.8917732494 0.000478188 -1.25763756 1.18191784 -5.99656324 0.17169343 -1.06063562 0.47762331 0.15138582 1.92032394 2.45639369 1.70520386 3.62030466 1.64163071 -6.88693487 -8.47823836 -28.87133868 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 434-13-9 9903 144213108 A A Lithocholic acid O=C(O)CC[C@@H](C)[C@H]4CC[C@@H]3[C@]4(C)CC[C@H]1[C@H]3CC[C@@H]2C[C@H](O)CC[C@]12C Tox21_302791 -NCGC00257514-01 196727786 tox21-ror-cho-viability-p1 set3 4 5.4482673282 11.2829564 -4.2829564 7 4.9549173134 0.430171973 0.2428718681 3.29395058 2.59713845 -0.28437278 0.130616 -0.30117088 1.92766251 -11.96193987 -12.735797 -11.35506829 -11.20140578 -3.43434503 7.90478146 4.1096349 7.99089049 6.97566986 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-79-7 8858 144213911 Fns 4-Methylpent-3-en-2-one C\C(C)=C/C(C)=O Tox21_303606 -NCGC00255622-01 196728198 tox21-ror-cho-viability-p1 set3 4 0.18552763 -1.88156319 3.52910723 -0.80310719 -2.23987931 -11.60927457 -9.76708704 -1.31235913 -10.43425267 -6.31408744 -7.54239101 -3.83751712 -3.39312887 4.15543845 3.55319548 1.044E-9 2.335E-9 5.22E-9 1.167E-8 2.61E-8 5.836E-8 1.305E-7 2.918E-7 6.5249999999E-7 0.000001459 0.000003263 0.000007296 0.000016309999999 0.000036479999999 0.000081569999999 76231-76-0 261491 144212157 Z F (-)-alpha,beta-Thujone C[C@H]1C(=O)C[C@@]2(C[C@H]12)C(C)C Tox21_301840 -NCGC00094521-05 196728601 tox21-ror-cho-viability-p1 set3 4 5.4482673282 -7.6781403359 3 -4.6781403359 4.9549173134 0.7202629667 0.0299921628 0 4.27593295 -0.6012773 4.34340968 5.28296793 5.59681734 0.98219508 3.12312148 0.73907056 6.78979043 3.9626354 -5.14845028 -3.8969764 -4.95238989 -4.52941795 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00255743-01 196728607 tox21-ror-cho-viability-p1 set3 4 0.0432771257 -5.214146316 1.5 -3.714146316 0.8999999999 0.3887640008 0.3024563942 -1.32473062 4.54675657 1.98610001 -1.82600743 -2.38344553 2.36581766 -5.2499746 -3.82490049 0.13732956 -5.04462266 -1.54338915 -6.84512193 -2.58620373 -3.68185998 5.64969418 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 682-01-9 69627 144211762 A F Tetrapropyl orthosilicate CCCO[Si](OCCC)(OCCC)OCCC Tox21_301445 -NCGC00255595-01 196728613 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -88.3616057793 3.1385714415 -85.2230343378 4.9549173134 0.9733931871 2.45E-7 3.49494962 1.41052661 -2.77040639 -0.04792858 4.23771301 2.01396159 8.40076614 2.43282478 7.09429506 -0.58058506 3.27034418 6.18139509 4.14697259 0.02421017 -68.82780503 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51229-78-8 6435993 144212263 A Chloroallyl methenamine chloride [Cl-].Cl\C=C/C[N+]13CN2CN(CN(C1)C2)C3 Tox21_301946 -NCGC00258457-01 196729439 tox21-ror-cho-viability-p1 set3 4 -5.8460324 -3.71100863 -0.45384465 -0.36059921 -11.44699399 -4.59799626 -27.68734442 -4.52856921 -23.22148522 -29.12963078 -4.00405141 -20.83025007 1.90513256 1.35089272 0.4102573 1.2229999999E-9 2.7349999999E-9 6.115E-9 1.367E-8 3.058E-8 6.837E-8 1.529E-7 3.4189999999E-7 7.6439999999E-7 0.000001709 0.000003822 0.000008547 0.000019109999999 0.000042729999999 0.000095549999999 103-50-4 7657 144208101 FNS Dibenzyl ether C(OCc1ccccc1)c2ccccc2 Tox21_200903 -NCGC00257815-01 196729441 tox21-ror-cho-viability-p1 set3 4 0.01535224 0.14096676 1.18143806 5.8758413 -2.53050179 1.72678398 7.02578209 0.96453981 -2.85830543 -0.66134241 2.31868264 0.91135927 3.26125717 6.91620532 -1.30575153 1.204E-9 2.693E-9 6.0219999999E-9 1.346E-8 3.011E-8 6.732E-8 1.5049999999E-7 3.366E-7 7.527E-7 0.000001683 0.0000037639999999 0.0000084149999999 0.00001882 0.00004208 0.00009409 121057-90-7 23082568 144207459 A A 1-Ethyl-1-methylpyrrolidinium hexafluorophosphate F[P-](F)(F)(F)(F)F.C[N+]1(CC)CCCC1 Tox21_200261 -NCGC00257045-01 196727430 tox21-ror-cho-viability-p1 set3 4 0.57784355 1.25855882 1.1086003 0.35351865 5.07731063 3.98424096 6.60204675 -1.13867966 7.3589175 4.55968211 8.28306707 -1.18446484 5.04175543 -2.92081066 0.76943532 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6983-79-5 6537494 144213412 F Fns Bixin C/C(=C\C=C\C(=O)OC)/C=C/C=C(\C)/C=C\C=C(/C)\C=C/C=C(/C)\C=C/C(=O)O Tox21_303095 -NCGC00256662-01 196707523 tox21-ror-cho-viability-p1 set1 -3 76.9588215421 -36.246338028 -4 -40.246338028 0.8999999999 0.620230884 0.0828205358 -0.91660866 -7.55645861 -0.02872855 -9.93107664 0.83526638 -3.68401491 -3.95139105 -11.85198731 -3.93878101 -8.31626963 0.68915503 -11.95926537 -13.01026281 -9.43440861 -30.20528169 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 6911-51-9 23347 144212795 Bc Fns 2-Thienyl disulfide s1cccc1SSc2cccs2 Tox21_302478 -NCGC00257298-01 196707106 tox21-ror-cho-viability-p1 set1 4 6.2861091138 11.752064512 -9.752064512 2 2.2481167061 0.6800206508 0.0477730646 -5.85729716 -8.75878823 -4.16152601 -11.96280768 -14.94384578 -9.84962032 -5.75906036 -9.34154941 -16.46005376 -10.16845098 -6.95869032 -2.85744523 0.01297981 3.47898429 1.16087931 9.969E-10 2.229E-9 4.9839999999E-9 1.1149999999E-8 2.492E-8 5.573E-8 1.246E-7 2.786E-7 6.23E-7 0.000001393 0.000003115 0.000006966 0.00001558 0.00003483 0.000077879999999 NOCAS_48172 60196440 144213807 A A PharmaGSID_48172 O=C(O)/C=C/C(=O)O.O=C5c1ccccc1C(=O)N5CCc2nc(on2)c4ccc(CN3CCCCCC3)s4 Tox21_303499 -NCGC00256833-01 196707117 tox21-ror-cho-viability-p1 set1 4 4.41967422 0.15570216 -0.22724629 4.07458748 0.45663192 2.42116953 6.3057542 6.02124188 1.91415797 1.24920392 1.26435999 0.56422247 1.30533148 1.01455359 2.36213427 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-97-3 66760 144212789 A A 5-Chlorobenzotriazole Clc1cc2nnnc2cc1 Tox21_302472 -NCGC00257342-01 196707119 tox21-ror-cho-viability-p1 set1 -2.1 53.6462224725 -83.6196447853 -7.622509753 -91.2421545383 3.5117481694 0.9213926236 0.0000942619 -16.32796188 -8.13754607 -6.40382699 -1.6640793 -13.26624762 -12.39559477 -9.94171598 -6.73443157 -2.94647122 -7.85655499 -11.21680472 -0.43904781 -0.52785424 -23.66953665 -71.39557162 9.615E-10 2.15E-9 4.807E-9 1.0749999999E-8 2.404E-8 5.3749999999E-8 1.202E-7 2.6869999999E-7 6.0089999999E-7 0.000001344 0.0000030049999999 0.000006719 0.000015019999999 0.00003359 0.00007512 825643-57-0 60196441 144213906 A PharmaGSID_48513 FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(C)(C)C(=O)N(C)c2cnc(cc2c3ccc(F)cc3C)N4CC[C@@H](O)[C@H]4CO Tox21_303601 -NCGC00257124-01 196707527 tox21-ror-cho-viability-p1 set1 4 3.16535966 1.79816625 3.16094752 1.58115242 -0.60420365 -0.06400173 7.43820266 8.66618338 7.92280664 0.60091883 4.44218422 -0.55195179 -0.55411249 1.70721408 6.24915479 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-75-2 7455 144213441 A A Methyl 4-methylbenzoate COC(=O)c1ccc(C)cc1 Tox21_303124 -NCGC00256501-01 196707935 tox21-ror-cho-viability-p1 set1 4 0.19409758 -0.18129874 -0.69355937 0.02626679 1.39929939 1.25649825 0.8891094 4.34161747 -0.84376315 -0.32036809 1.69030264 -0.8620973 5.35261225 0.09187386 -0.08860605 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 609-20-1 11860 144213233 A A 2,6-Dichloro-1,4-benzenediamine Clc1cc(N)cc(Cl)c1N Tox21_302916 -NCGC00257318-01 196707937 tox21-ror-cho-viability-p1 set1 4 -9.47687124 -8.11365493 -11.94620937 -11.682907 -16.23022525 -5.56208724 0.98678139 -10.98704537 -15.64884505 -10.77196892 -14.68043316 -13.20679366 -13.68070239 -15.67731947 -15.4304297 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 133-18-6 8615 144213808 A A Phenethyl anthranilate Nc2ccccc2C(=O)OCCc1ccccc1 Tox21_303500 -NCGC00256748-01 196707939 tox21-ror-cho-viability-p1 set1 4 -0.90553539 -12.02144952 0.71376544 -0.3436759 -7.43029094 -10.91345324 -6.28792023 2.00719894 -14.27039748 -8.79951157 -13.24544248 -7.61296001 -9.63625039 2.42079116 -20.68842953 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 645-56-7 12580 144212959 A A 4-Propylphenol Oc1ccc(CCC)cc1 Tox21_302642 -NCGC00257363-01 196707942 tox21-ror-cho-viability-p1 set1 4 2.11653489 0.34148488 2.60736997 0.75315307 -1.56111032 5.05277776 4.23101272 0.29996257 -1.25530554 -0.82360323 4.73456433 2.10529441 1.91895019 0.44915456 10.39336058 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13547-70-1 83572 144213735 C 1-Chloro-3,3-dimethyl-butan-2-one CC(C)(C)C(=O)CCl Tox21_303424 -NCGC00257069-01 196707948 tox21-ror-cho-viability-p1 set1 4 0.98247441 3.78892208 -0.33336048 2.58930582 6.65541321 0.41580776 5.29854743 0.01958403 9.00509683 2.0381829 0.63652105 5.52704429 11.67359522 1.94110692 7.96612144 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3085-30-1 16684880 144213521 F F Aluminum tributoxide CCCCO[Al](OCCCC)OCCCC Tox21_303204 -NCGC00257123-01 196708352 tox21-ror-cho-viability-p1 set1 4 9.6885416101 -17.102813196 2.5 -14.602813196 3.1319983358 0.8231339187 0.0047146894 1.06216834 3.71186133 0.77631585 -1.36563762 -1.25539309 3.81148677 7.7465008 7.72914578 0.73646337 0.38252607 1.45373966 -2.70051573 -16.75234433 -10.79559547 -14.44233823 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66-71-7 1318 144213428 A A 1,10-Phenanthroline c1ccnc3c1ccc2cccnc23 Tox21_303111 -NCGC00256486-01 196708353 tox21-ror-cho-viability-p1 set1 4 86.3492179916 17.933193992 1.066806008 19 0.8999999999 0.3800533813 0.2918503756 -2.02766166 1.88410805 0.72678638 1.28243169 -0.610984 -1.66322619 2.30089318 -0.12062186 13.19090017 1.76192787 2.43858331 1.89110955 1.81403265 4.10677541 14.84992422 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 143-07-7 3893 144213327 A A Dodecanoic acid O=C(O)CCCCCCCCCCC Tox21_303010 -NCGC00259852-01 196706306 tox21-ror-cho-viability-p1 set1 4 2.41402879 3.55738152 -0.90340343 5.19077955 1.29596213 -0.30535673 0.4207295 3.78124324 1.97580983 5.0427186 0.80988015 1.08171997 2.90264729 -1.64026527 -0.82783654 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3839999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004128 0.00009229 298-00-0 4130 144209501 D Methyl parathion S=P(Oc1ccc(cc1)[N+]([O-])=O)(OC)OC Tox21_202303 -NCGC00259034-01 196708709 tox21-ror-cho-viability-p1 set2 4 0.63462194 -0.86272085 -4.52737241 -2.94711381 0.9930169 -5.17422797 0.72535069 -7.17623941 0.11581988 -3.46315114 -0.5735545 2.43135345 -4.56351298 -2.94174024 -2.84581548 1.224E-9 2.7369999999E-9 6.1209999999E-9 1.369E-8 3.0599999999E-8 6.843E-8 1.5299999999E-7 3.422E-7 7.651E-7 0.000001711 0.000003826 0.000008554 0.000019129999999 0.00004277 0.00009564 123-76-2 11579 144208681 A A 4-Oxopentanoic acid CC(=O)CCC(=O)O Tox21_201483 -NCGC00259528-01 196709127 tox21-ror-cho-viability-p1 set2 -2.2 29.8802711095 -50.3252760156 1.1843737945 -49.1409022211 1.4163171 0.9888942078 1.5E-9 3.20646953 2.30656551 0.84371275 1.21156335 1.82262354 -0.02255921 0.55115999 2.50236615 -0.71069696 -1.75191078 -1.23295444 -7.76136819 -14.14695897 -30.67204347 -43.10605458 1.272E-9 2.8449999999E-9 6.361E-9 1.422E-8 3.181E-8 7.112E-8 1.59E-7 3.556E-7 7.951E-7 0.000001778 0.000003976 0.00000889 0.00001988 0.00004445 0.00009939 1260-17-9 10255083 144209177 A A Carminic acid O[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)c4c(O)c3C(=O)c2c(C)c(C(=O)O)c(O)cc2C(=O)c3c(O)c4O Tox21_201979 -NCGC00259134-01 196709130 tox21-ror-cho-viability-p1 set2 4 -0.62686376 1.19636252 -17.47191363 -4.40833607 2.26753763 -3.82527454 -4.10797559 -6.38069597 0.346061 3.39445022 -7.91906577 3.18315438 -5.72763593 1.05403572 0.99565111 1.204E-9 2.692E-9 6.019E-9 1.346E-8 3.009E-8 6.729E-8 1.5049999999E-7 3.365E-7 7.5239999999E-7 0.000001682 0.0000037619999999 0.000008412 0.000018809999999 0.00004206 0.00009405 112-42-5 8184 144208783 A A 1-Undecanol CCCCCCCCCCCO Tox21_201585 -NCGC00259872-01 196709137 tox21-ror-cho-viability-p1 set2 4 77.6637265632 -24.462166696 1.5 -22.962166696 4.9549173134 0.8754194041 0.0009564194 -1.06192542 -2.00388655 0.92597578 1.526778 0.51450716 3.86593841 2.42735269 1.15601166 2.03788805 2.19145526 1.39188408 4.43913813 -0.17305042 0.58679345 -15.80180558 1.189E-9 2.6589999999E-9 5.946E-9 1.3289999999E-8 2.973E-8 6.647E-8 1.486E-7 3.3239999999E-7 7.4319999999E-7 0.000001662 0.000003716 0.000008309 0.000018579999999 0.000041549999999 0.0000929 122-66-7 31222 144209521 D 1,2-Diphenylhydrazine N(Nc1ccccc1)c2ccccc2 Tox21_202323 -NCGC00259934-01 196709539 tox21-ror-cho-viability-p1 set2 4 0.05814337 2.1856601 0.87769632 3.37770199 2.3361777 0.73203922 1.26297453 1.44729298 1.46494313 -0.52664314 -0.77262027 1.65831837 4.60911005 0.36844325 -0.53043378 1.166E-9 2.6069999999E-9 5.829E-9 1.303E-8 2.9139999999E-8 6.517E-8 1.457E-7 3.2579999999E-7 7.286E-7 0.000001629 0.0000036429999999 0.000008146 0.00001821 0.00004073 0.00009107 80-43-3 6641 144209583 A A Dicumyl peroxide CC(C)(OOC(C)(C)c1ccccc1)c2ccccc2 Tox21_202385 -NCGC00259002-01 196709538 tox21-ror-cho-viability-p1 set2 4 -1.32529091 1.00289564 4.68353753 0.79619747 -1.0703016 -0.25563588 -0.13164632 -1.2863858 -0.01224353 0.33929133 -1.14269669 -0.14822883 -0.4985976 -0.84299133 0.05252121 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.952E-8 6.6E-8 1.476E-7 3.3E-7 7.379E-7 0.0000016499999999 0.00000369 0.0000082499999999 0.000018449999999 0.00004125 0.000092239999999 34014-18-1 5383 144208649 A A Tebuthiuron CC(C)(C)c1nnc(s1)N(C)C(=O)NC Tox21_201451 -NCGC00259140-01 196709549 tox21-ror-cho-viability-p1 set2 4 -0.65437937 1.02699414 -1.13913558 -27.47762829 -3.19458937 -0.50938005 -3.45712982 -0.21668442 -2.61109025 -3.16688742 -0.82464533 -1.49559958 -0.08483035 -8.982551 -15.93223898 1.1679999999E-9 2.6129999999E-9 5.8419999999E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.4599999999E-7 3.2659999999E-7 7.3019999999E-7 0.0000016329999999 0.0000036509999999 0.000008164 0.00001826 0.00004082 0.00009128 99-04-7 7418 144208789 A A 3-Methylbenzoic acid Cc1cccc(c1)C(O)=O Tox21_201591 -NCGC00258932-01 196709562 tox21-ror-cho-viability-p1 set2 4 -0.37459824 -1.44695412 0.46226126 0.32120489 1.69796979 -0.60423798 1.13956885 1.81817277 1.17888854 0.82277148 2.65186726 2.45154865 5.14299808 1.38711509 2.88272576 1.194E-9 2.671E-9 5.972E-9 1.335E-8 2.986E-8 6.677E-8 1.493E-7 3.338E-7 7.465E-7 0.000001669 0.000003732 0.000008346 0.00001866 0.000041729999999 0.00009331 110-93-0 9862 144208579 A Ac 6-Methyl-5-hepten-2-one C/C(C)=C\CCC(C)=O Tox21_201381 -NCGC00259385-01 196709563 tox21-ror-cho-viability-p1 set2 3 67.9623322576 107.0766856866 -0.766412323 106.3102733636 4.9549173134 0.9856844679 6.8E-9 0.97009374 0.10369863 0.07416792 -0.64620787 0.9537624 -1.8367214 0.8555511 -0.00314045 -0.82105823 0.61926673 -0.53266553 -1.11709866 1.15423869 -1.95242066 87.28265465 1.171E-9 2.618E-9 5.8529999999E-9 1.3089999999E-8 2.927E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.316E-7 0.0000016359999999 0.000003658 0.00000818 0.00001829 0.0000409 0.00009146 63-25-2 6129 144209034 A D Carbaryl CNC(=O)Oc2cccc1ccccc12 Tox21_201836 -NCGC00259210-01 196709148 tox21-ror-cho-viability-p1 set2 4 -0.95083294 -1.67242346 0.06798486 2.73481781 1.10342822 0.81684819 1.30887822 1.17889703 -0.03573881 -1.28643429 1.84004154 -0.59516273 2.15068519 1.22798473 0.65665672 1.1989999999E-9 2.6809999999E-9 5.995E-9 1.3409999999E-8 2.998E-8 6.703E-8 1.4989999999E-7 3.351E-7 7.494E-7 0.000001676 0.000003747 0.000008378 0.00001873 0.00004189 0.00009367 91-08-7 7040 144208859 FNS Toluene-2,6-diisocyanate O=C=N/c1cccc(/N=C=O)c1C Tox21_201661 -NCGC00163930-04 196708751 tox21-ror-cho-viability-p1 set2 4 -0.2274773 1.52180857 -0.94978065 4.19148673 0.77419994 -0.16117643 1.53255959 -0.01777922 -0.78484239 0.00679881 -0.2960583 0.52215322 1.88383575 3.62538819 2.57465212 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00259301-01 196708757 tox21-ror-cho-viability-p1 set2 4 5.26201588 -1.47150624 2.44972192 -0.96094674 1.52221035 -1.38643612 4.11477978 2.92131187 0.92970078 2.21666638 -1.11444009 0.78955683 4.94083816 6.17172102 2.73401332 1.1859999999E-9 2.6519999999E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001853 0.000041439999999 0.000092669999999 56038-13-2 71485 144208950 A A Sucralose O[C@H]1[C@H](O[C@H](CO)[C@H](Cl)[C@@H]1O)O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O Tox21_201752 -NCGC00259526-01 196709149 tox21-ror-cho-viability-p1 set2 4 4.80266538 0.01109683 1.56039645 1.5293474 1.54700144 0.65084446 1.54941979 0.11876142 0.97356594 0.622045 -0.11903723 1.69777328 -0.39007894 -0.34958152 0.23704717 1.1689999999E-9 2.614E-9 5.844E-9 1.3069999999E-8 2.922E-8 6.5339999999E-8 1.461E-7 3.267E-7 7.305E-7 0.0000016329999999 0.000003653 0.000008167 0.00001826 0.00004084 0.000091309999999 100-63-0 7516 144209175 D Phenylhydrazine NNc1ccccc1 Tox21_201977 -NCGC00163953-03 196718929 tox21-ror-cho-viability-p1 set2 -3 72.7253077472 -40.285590188 1.906899169 -38.378691019 4.9549173134 0.8520689339 0.0021155521 -1.78627474 -1.25546501 -1.04760977 4.32423056 -0.11697362 4.09391823 -1.55374301 5.34035243 2.54973721 0.65013019 11.20735813 1.66718891 -0.55605772 1.18146923 -30.65465849 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.000019359999999 0.00004328 0.000096779999999 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00257039-01 196718516 tox21-ror-cho-viability-p1 set2 4 2.4336516212 6.3539756879 -7.3539756879 -1 4.9549173134 0.3498336114 0.3370000862 -8.32250096 -4.70055699 -4.22644033 -1.32946278 -4.3345578 -15.29497974 -8.15731649 -4.54827382 -13.09198679 -6.53272144 -1.11951154 0.14951626 -0.83531153 -3.40194543 -4.07495934 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1675-54-3 2286 144213632 C A Bisphenol A diglycidyl ether CC(C)(c2ccc(OCC1CO1)cc2)c4ccc(OCC3CO3)cc4 Tox21_303315 -NCGC00257106-01 196718521 tox21-ror-cho-viability-p1 set2 4 -0.444315 0.29272558 3.66621017 4.22300698 -1.56588909 3.83359171 1.98366929 2.77018737 4.80659194 2.33846243 7.3556326 0.7278235 2.68280683 4.47544095 -0.42095201 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 121-03-9 8458 144213468 A A 2-Methyl-5-nitrobenzenesulfonic acid Cc1ccc(cc1S(O)(=O)=O)[N+]([O-])=O Tox21_303151 -NCGC00256709-01 196718522 tox21-ror-cho-viability-p1 set2 4 -2.65291713 -0.82713178 -2.82841292 0.13882219 -0.36266253 1.06599693 -1.70471964 -0.83221954 -1.33671803 -0.64723565 -1.19218146 -2.46104652 1.64484091 -0.59374872 0.3992995 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1524-88-5 15209 144212928 A A Flurandrenolide OCC(=O)[C@@]54OC(C)(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3C[C@H](F)C1=CC(=O)CC[C@@]12C Tox21_302611 -NCGC00091278-03 196718942 tox21-ror-cho-viability-p1 set2 4 2.16956837 -3.49601284 0.43006241 -3.45810957 -2.92497911 0.36211864 -1.48209723 -1.6202927 1.802412 -0.03237915 -2.24875017 -2.56509124 1.369447 1.46898522 -5.16699994 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00090965-04 196715644 tox21-ror-cho-viability-p1 set2 4 0.63273274 1.40795252 -6.64289371 0.89647777 -2.14026087 -0.66198425 1.7553671 -2.47055244 0.59449721 0.27189845 -6.0936093 -3.70830387 -4.50286293 0.80600582 -3.80051878 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00258107-01 196715624 tox21-ror-cho-viability-p1 set2 4 -0.39357146 1.93941876 3.18893748 3.51907106 2.57887863 -1.56132063 2.06196369 1.6235741 3.67561163 -0.24908553 -4.07298346 5.03766198 0.00522198 3.31757762 -0.03396945 1.189E-9 2.658E-9 5.9439999999E-9 1.3289999999E-8 2.9719999999E-8 6.646E-8 1.486E-7 3.323E-7 7.4299999999E-7 0.0000016609999999 0.0000037149999999 0.000008307 0.000018579999999 0.00004154 0.000092879999999 848641-69-0 53316406 144207751 A A 1-Ethyl-3-methylimidazolium diethylphosphate C[n+]1ccn(CC)c1.[O-]P(=O)(OCC)OCC Tox21_200553 -NCGC00257896-01 196715632 tox21-ror-cho-viability-p1 set2 4 0.0120360789 7.5201248439 -8.5201248439 -1 3.0654483358 0.4792673228 0.1981285138 -6.50403932 -4.05660035 -16.68343737 -1.26608948 -1.13517044 -2.25001762 -3.55085815 -3.07772872 -1.77367157 1.30679693 -3.0880995 0.0673484 -0.01117551 1.33081111 0.81622351 1.167E-9 2.61E-9 5.836E-9 1.305E-8 2.918E-8 6.525E-8 1.459E-7 3.262E-7 7.295E-7 0.000001631 0.000003648 0.000008156 0.000018239999999 0.00004078 0.00009119 616-23-9 12018 144207540 A A 2,3-Dichloro-1-propanol ClCC(Cl)CO Tox21_200342 -NCGC00258303-01 196715633 tox21-ror-cho-viability-p1 set2 -1.1 13.8526067795 -92.3802965107 2.0818858939 -90.2984106168 3.1319983358 0.9838301716 1.38E-8 2.05069754 1.31496403 0.13986099 2.13102973 6.17099426 -3.16586141 0.28169729 0.8315873 1.04664938 1.11729695 -0.01126609 -0.50427438 -70.43164823 -88.0101468 -87.6345141 1.1919999999E-9 2.6649999999E-9 5.959E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.331E-7 7.449E-7 0.0000016659999999 0.000003725 0.0000083279999999 0.00001862 0.00004164 0.00009312 85-60-9 6815 144207947 A A 4,4'-Butane-1,1-diylbis(2-tert-butyl-5-methylphenol) CC(C)(C)c1cc(c(C)cc1O)C(CCC)c2cc(c(O)cc2C)C(C)(C)C Tox21_200749 -NCGC00258739-01 196715645 tox21-ror-cho-viability-p1 set2 -2.2 31.7629104368 -55.0425883007 -1.175397741 -56.2179860417 2.1876167061 0.9878360207 2.6E-9 -0.4878683 0.30970578 -0.0567909 -0.62258322 -0.75192483 1.63830482 -0.48767657 -0.87150743 -1.97820496 -0.99617122 -5.26469261 -6.60844609 -14.73497256 -36.93056602 -55.11567259 1.216E-9 2.718E-9 6.078E-9 1.359E-8 3.0389999999E-8 6.795E-8 1.519E-7 3.3979999999E-7 7.597E-7 0.000001699 0.000003799 0.0000084939999999 0.000018989999999 0.00004247 0.00009497 630-16-0 61179 144208385 A A 1,1,1,2-Tetrabromoethane BrC(Br)(Br)CBr Tox21_201187 -NCGC00258327-01 196716041 tox21-ror-cho-viability-p1 set2 4 0.24860418 1.84613611 5.18052901 5.74506301 4.79905422 0.98402983 -1.70153164 -1.98290942 0.02839679 0.84613032 -0.72060775 3.95899944 0.021025 0.64275328 1.3725652 1.196E-9 2.674E-9 5.9789999999E-9 1.337E-8 2.989E-8 6.685E-8 1.4949999999E-7 3.3419999999E-7 7.4739999999E-7 0.000001671 0.000003737 0.000008356 0.000018679999999 0.000041779999999 0.00009342 603-83-8 11783 144207971 A A 2-Methyl-3-nitroaniline Cc1c(cccc1N)[N+]([O-])=O Tox21_200773 -NCGC00257829-01 196716045 tox21-ror-cho-viability-p1 set2 4 2.82885774 2.25799345 0.74152157 0.2727952 4.2862578 0 3.19476711 4.95470224 5.65169694 6.42697994 4.22647269 -26.10176582 4.17020644 5.66353436 0.59060788 1.216E-9 2.718E-9 6.079E-9 1.359E-8 3.0389999999E-8 6.796E-8 1.5199999999E-7 3.3979999999E-7 7.598E-7 0.000001699 0.000003799 0.0000084949999999 0.000018999999999 0.00004247 0.00009498 10599-70-9 61527 144207473 A C 3-Acetyl-2,5-dimethylfuran Cc1cc(C(=O)C)c(C)o1 Tox21_200275 -NCGC00255292-01 196728690 tox21-ror-cho-viability-p1 set3 4 2.56817453 10.57449498 -2.3848821 15.36219525 -5.48656649 5.99345629 13.85322042 -6.64951542 10.75468771 4.02701793 5.41994368 14.54108846 8.00058897 1.71657386 3.76152667 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 791-28-6 13097 144212371 A A Triphenylphosphine oxide O=P(c1ccccc1)(c2ccccc2)c3ccccc3 Tox21_302054 -NCGC00255970-01 196729105 tox21-ror-cho-viability-p1 set3 4 -1.8555875 -2.18725725 -12.07480714 -9.25520922 -6.6489431 3.53988639 -9.08156789 -5.68716351 -1.8874311 -6.6883905 -12.63602455 -2.6947629 -5.47219193 -7.53101508 0.1074575 1.026E-9 2.295E-9 5.132E-9 1.148E-8 2.5659999999E-8 5.7379999999E-8 1.283E-7 2.8689999999E-7 6.4149999999E-7 0.000001434 0.0000032069999999 0.0000071719999999 0.00001604 0.00003586 0.00008018 630-60-4 439501 144211864 A A Ouabain O=C1C=C(CO1)[C@H]2CC[C@]3(O)[C@@H]4CC[C@]5(O)C[C@H](C[C@@H](O)[C@]5(CO)[C@H]4[C@H](O)C[C@]23C)O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O Tox21_301547 -NCGC00255982-01 196728285 tox21-ror-cho-viability-p1 set3 4 1.71311309 -1.75738337 1.28749292 -8.38876916 -5.60216798 -7.624247 -1.58940126 4.66350817 8.25688003 -11.44134599 0.82008718 -5.90555782 4.70125372 -4.28031191 -7.75341866 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4726-14-1 20848 144212218 A A Nitralin O=S(C)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_301901 -NCGC00164164-02 196728704 tox21-ror-cho-viability-p1 set3 4 2.4336516212 12.875680468 -4.375680468 8.5 3.2974983358 0.4944619719 0.1999210091 -3.07885516 -0.5697981 -3.78513047 0.79662565 3.53100694 -9.3345736 -7.78910548 -11.14640039 -9.37179729 -0.06432913 4.58456269 9.89641167 18.81645864 -1.99547018 2.00305373 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00256156-01 196729113 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -119.9725116166 12.0693658634 -107.9031457532 4.9549173134 0.7057731201 0.0354357734 0.96232391 8.30005421 5.78822654 3.87387147 -1.00753083 -1.46877301 3.20461716 1.59964827 1.92249865 17.25160561 9.90698477 35.48105066 55.03142935 21.46311531 -86.96111022 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3179-80-4 51392 144211658 A A N-[3-(Dimethylamino)propyl]dodecanamide CN(C)CCCNC(=O)CCCCCCCCCCC Tox21_301341 -NCGC00257586-01 196729516 tox21-ror-cho-viability-p1 set3 4 0.2936489612 -9.0054087479 1.5 -7.5054087479 4.4494702849 0.5945722209 0.1153371158 1.53955616 2.27290769 2.10428195 -0.13635913 0.84467044 2.57969767 1.25069924 -3.64018054 -16.25450729 -5.10660324 -8.28082523 -3.01648844 -12.13308562 -0.62363464 3.6790669 1.1389999999E-9 2.5469999999E-9 5.6959999999E-9 1.2739999999E-8 2.8479999999E-8 6.368E-8 1.424E-7 3.184E-7 7.1199999999E-7 0.000001592 0.00000356 0.00000796 0.0000178 0.0000398 0.000089 479-13-0 5281707 144207230 A A Coumestrol Oc2cc3OC(=O)c1c4ccc(O)cc4oc1c3cc2 Tox21_200032 -NCGC00257777-01 196729531 tox21-ror-cho-viability-p1 set3 4 -0.11294449 -0.72756992 0.97812483 2.14494078 1.34067874 1.86262719 -0.90240101 0.2097766 0.14230035 2.61199529 3.05826336 2.43124816 0.92501648 0.17827857 0.37706864 1.1759999999E-9 2.63E-9 5.8799999999E-9 1.315E-8 2.94E-8 6.574E-8 1.4699999999E-7 3.2869999999E-7 7.35E-7 0.0000016439999999 0.0000036749999999 0.000008218 0.000018379999999 0.00004109 0.00009188 103173-73-5 23160050 144207421 A A 1-Ethylpyridinium hexafluorophosphate F[P-](F)(F)(F)(F)F.CC[n+]1ccccc1 Tox21_200223 -NCGC00258434-01 196729536 tox21-ror-cho-viability-p1 set3 4 0.22737352 -0.95964732 -0.62937023 -1.86948235 0.1842028 -0.92891168 -6.32937926 -9.01913313 -1.00781552 -7.62905491 -5.68873947 -6.21694517 -1.27150615 -1.11961266 0.54423404 1.133E-9 2.533E-9 5.6639999999E-9 1.2659999999E-8 2.832E-8 6.332E-8 1.416E-7 3.1659999999E-7 7.0799999999E-7 0.000001583 0.00000354 0.000007915 0.0000177 0.00003958 0.0000885 504-29-0 10439 144208078 A A 2-Aminopyridine Nc1ccccn1 Tox21_200880 -NCGC00090721-03 196729930 tox21-ror-cho-viability-p1 set3 4 0.3680308 -0.26128552 0.66547809 -1.38810887 0.55210917 0.41262789 0.55209466 2.68120223 -0.6516079 2.42417958 2.66061814 3.53835514 1.84111881 -0.82968798 0.87181035 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00257688-01 196729932 tox21-ror-cho-viability-p1 set3 4 34.4811461738 -13.18766466 -0.5 -13.68766466 4.9549173134 0.9564931806 0.0000039805 0.08517367 0.17074414 0.82678834 -2.74050771 -0.83160671 0 -1.02106222 -0.42408879 0.71572772 -0.00067194 -0.51199877 -0.7296904 -0.49480009 -10.66726545 -14.73972055 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004133 0.000092409999999 156-51-4 61100 144207332 FNS Phenylethylhydrazine sulfate O=S(=O)(O)O.NNCCc1ccccc1 Tox21_200134 -NCGC00258130-01 196729933 tox21-ror-cho-viability-p1 set3 -1.1 10.8044264219 -81.9368384468 -4.522738088 -86.4595765348 2.4063783767 0.9762560054 1.276E-7 -6.35874023 -12.00363375 -2.54477429 -5.77827195 -0.75639687 -4.53360688 -4.11511196 -6.80416516 -5.11602847 -4.05615479 -9.5710955 -23.08866645 -79.92395553 -81.65284657 -81.90701531 1.1739999999E-9 2.624E-9 5.8689999999E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091699999999 23906-97-0 3015167 144207774 A A Tetraoctylphosphonium bromide [Br-].CCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CCCCCCCC Tox21_200576 -NCGC00259306-01 196708388 tox21-ror-cho-viability-p1 set2 4 0.22114701 0.18256494 4.44522391 1.95462612 -0.53074208 0.474588 0.48623768 0.19732529 2.36458326 1.29058163 2.36124539 -0.28444273 2.98173623 2.11655106 2.1781788 1.162E-9 2.5969999999E-9 5.808E-9 1.299E-8 2.9039999999E-8 6.494E-8 1.4519999999E-7 3.247E-7 7.2599999999E-7 0.000001623 0.0000036299999999 0.000008117 0.000018149999999 0.00004059 0.00009075 110-42-9 8050 144208955 A Fc Methyl decanoate O=C(CCCCCCCCC)OC Tox21_201757 -NCGC00259131-01 196708379 tox21-ror-cho-viability-p1 set2 4 2.09433245 -1.28834856 -7.42726337 -17.37381206 -1.45201468 -0.35017641 -4.19605282 -2.53703513 0.05026768 -3.5123589 -3.02577389 -2.5435774 1.51533453 -7.99700086 -2.94999696 1.172E-9 2.621E-9 5.8609999999E-9 1.311E-8 2.9299999999E-8 6.553E-8 1.465E-7 3.276E-7 7.326E-7 0.0000016379999999 0.0000036629999999 0.000008191 0.00001832 0.00004095 0.00009158 122-78-1 998 144208780 D Phenylacetaldehyde O=CCc1ccccc1 Tox21_201582 -NCGC00258840-01 196708382 tox21-ror-cho-viability-p1 set2 4 -2.10427948 -3.3986327 -1.73510673 -22.35287635 -2.46950732 0.23691694 -0.00808643 -2.72542287 1.389673 -2.22863757 0.68775 -1.97602209 -0.4158052 -2.61669607 0.52938898 1.163E-9 2.602E-9 5.817E-9 1.301E-8 2.909E-8 6.5039999999E-8 1.454E-7 3.252E-7 7.2719999999E-7 0.0000016259999999 0.000003636 0.00000813 0.00001818 0.00004065 0.000090889999999 106-37-6 7804 144208486 A F 1,4-Dibromobenzene Brc1ccc(Br)cc1 Tox21_201288 -NCGC00164168-02 196708386 tox21-ror-cho-viability-p1 set2 4 0.0287843013 -4.591293832 3.5 -1.091293832 4.9549173134 0.4765709422 0.2030948709 2.66648217 1.01112667 1.33414264 8.51964089 0.28897615 -2.99274486 1.40397952 -2.09879771 -1.58895028 0.02259291 -1.14701575 0.09990065 -2.25848747 0.94504162 -2.64789355 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00258824-01 196708791 tox21-ror-cho-viability-p1 set2 4 2.0935637 -3.93682216 1.94883903 -1.19963725 -3.77969942 -1.35740414 -3.24430221 -1.4570016 -1.33771336 -1.52788285 -0.00477623 2.19777568 -1.97213906 -2.86537827 -2.5140609 1.1679999999E-9 2.6109999999E-9 5.838E-9 1.305E-8 2.919E-8 6.5269999999E-8 1.459E-7 3.2629999999E-7 7.297E-7 0.0000016319999999 0.0000036489999999 0.000008159 0.000018239999999 0.000040789999999 0.00009122 51-30-9 5807 144208470 A A Isoproterenol hydrochloride Cl.Oc1ccc(cc1O)C(O)CNC(C)C Tox21_201272 -NCGC00259916-01 196708808 tox21-ror-cho-viability-p1 set2 4 2.62113704 3.67404466 3.36845468 1.06862835 4.12219614 3.18289197 1.45165346 4.81199555 2.69518944 2.90586258 3.27729392 3.23755175 4.20403875 5.13529247 -0.58246518 1.144E-9 2.5579999999E-9 5.719E-9 1.2789999999E-8 2.8599999999E-8 6.3939999999E-8 1.4299999999E-7 3.197E-7 7.1489999999E-7 0.0000015989999999 0.0000035739999999 0.000007993 0.00001787 0.00003996 0.00008936 150-76-5 9015 144209565 A A 4-Methoxyphenol Oc1ccc(OC)cc1 Tox21_202367 -NCGC00259758-01 196709200 tox21-ror-cho-viability-p1 set2 4 -2.89445006 -2.44599232 -0.2617222 -2.53978168 -3.24590157 -0.48305275 1.91360972 -1.1688932 -1.99003171 1.44244766 -0.05711627 -0.28367921 -0.82400751 -3.00966982 -2.27841629 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004127 0.00009229 334-48-5 2969 144209407 A A Decanoic acid O=C(O)CCCCCCCCC Tox21_202209 -NCGC00259599-01 196709203 tox21-ror-cho-viability-p1 set2 4 4.5559937 2.17142333 -5.97272477 3.26282031 1.29381374 -1.37853986 2.75944353 -0.14420082 -0.02657736 -2.87434555 -0.08710534 3.28766066 4.23043905 4.93302879 1.86213838 1.154E-9 2.5799999999E-9 5.7679999999E-9 1.29E-8 2.884E-8 6.449E-8 1.4419999999E-7 3.224E-7 7.21E-7 0.000001612 0.000003605 0.000008061 0.00001802 0.0000403 0.00009012 37143-54-7 123458 144209248 FNS 1-Methoxy-2-propylamine CC(N)COC Tox21_202050 -NCGC00178854-03 196704657 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -18.793636512 -0.5 -19.293636512 2.2526478767 0.4948199855 0.1836717196 -0.4577101 0.07426078 0.7505476 1.00647036 1.78975342 -10.15738035 1.26202402 -0.0275178 -1.16914939 2.12831618 1.0746438 1.00637655 -7.86005067 -1.68353046 -14.41136376 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13614-98-7 54685925 170465049 A Minocycline hydrochloride Cl.CN(C)c2ccc(O)c1C(=O)C3=C(O)[C@]4(O)C(=O)C(=C(O)[C@@H](N(C)C)[C@@H]4C[C@@H]3Cc12)C(N)=O Tox21_111250_1 -NCGC00247677-01 196704238 tox21-ror-cho-viability-p1 set1 4 -0.00149215 -0.60156778 -1.0287429 -2.97079932 -3.51262585 -2.89361787 -5.47891961 0.49483787 -0.37496503 -1.15732681 -0.66456421 -3.39962343 -2.07355246 -2.45948585 -1.09046069 2.959E-9 6.6169999999E-9 1.48E-8 3.309E-8 7.398E-8 1.6539999999E-7 3.699E-7 8.272E-7 0.00000185 0.000004136 0.0000092479999999 0.00002068 0.00004624 0.0001034 0.00023119999999 133005-40-0 60196312 144206379 A A (+)-Metazocine fumarate (2:1) O=C(O)/C=C/C(=O)O.Oc2ccc3C[C@H]1[C@H](C)[C@](C)(CCN1C)c3c2.Oc2ccc3C[C@H]1[C@H](C)[C@](C)(CCN1C)c3c2 Tox21_112826 -NCGC00164544-02 196704239 tox21-ror-cho-viability-p1 set1 4 -3.2705379 -4.29371683 -2.12508314 -1.24763576 -3.75022565 0 -0.15146809 0.08403068 0.82495298 2.59338468 2.24537761 -3.63080054 -1.65001659 -3.83065305 0.86690982 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 101530-10-3 9927058 170465886 A Lanoconazole N#C\C(=C1/SCC(S1)c2ccccc2Cl)n3ccnc3 Tox21_112173_1 -NCGC00095188-05 196704252 tox21-ror-cho-viability-p1 set1 4 -7.30819147 -7.62525737 -2.19687461 -1.24969949 -3.15615687 -2.58234938 -2.49014051 -4.35145088 -0.40543703 -1.08659964 -4.18431969 -0.52784795 -0.74734581 -1.11925733 -0.63850189 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 102625-70-7 4679 170466337 A Pantoprazole COc3c(OC)ccnc3CS(=O)c1nc2cc(ccc2n1)OC(F)F Tox21_111477_1 -NCGC00091517-06 196704666 tox21-ror-cho-viability-p1 set1 4 16.7854920005 7.381948012 -2.381948012 5 1.8079476909 0.3535071145 0.3195519328 -3.48431949 -4.08308286 -3.99390604 -3.48916163 1.09898056 2.20385203 -4.55750622 -0.06594358 -0.2272155 -4.16984087 -7.81829001 0.57084004 0.22305454 0.47239633 4.86613629 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-81-7 54670067 170464728 Z L-Ascorbic acid OC=1C(=O)O[C@H]([C@@H](O)CO)C=1O Tox21_112104_1 -NCGC00163919-02 196710812 tox21-ror-cho-viability-p1 set2 4 3.44849176 -0.45971828 0.48662779 -0.69647405 3.82692983 3.69509184 3.57962776 2.53268088 2.37635259 3.9648595 1.67137632 3.16017692 1.25521623 2.78437168 -2.813775 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00256176-01 196710421 tox21-ror-cho-viability-p1 set2 -2.4 68.5896218971 -29.91434854 1.5 -28.41434854 4.9549173134 0.9410209931 0.0000207708 0.98617299 3.18021383 0.37832513 3.57320419 5.01268412 -0.12753404 1.32421867 0.54753289 -0.51350515 1.04588413 0.68327141 1.85750081 0.23405938 1.02948603 -22.84529045 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 61931-82-6 93335 144211727 A B N-(4-Methylpentan-2-yl)-N-phenylbenzene-1,4-diamine CC(C)CC(C)N(c1ccccc1)c2ccc(N)cc2 Tox21_301410 -NCGC00256220-01 196710822 tox21-ror-cho-viability-p1 set2 4 -0.4321994 -3.90749248 -3.48310142 -3.74892972 -4.97959475 -0.93500382 -3.42884858 -1.2321896 -1.49772903 -1.33505352 -2.2858435 -3.07260468 -0.57822979 1.09995593 1.88075455 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 621-07-8 69297 144212318 A A N-Benzyl-N-hydroxy-1-phenylmethanamine ON(Cc1ccccc1)Cc2ccccc2 Tox21_302001 -NCGC00255491-01 196710827 tox21-ror-cho-viability-p1 set2 4 61.0684034629 13.8931375719 -2.8931375719 11 2.5884283767 0.512708079 0.1683488623 -1.75517953 -4.129426 -0.80341595 -5.47619933 -1.36403136 -0.75710887 -8.67405516 -9.49428131 -1.34122327 -2.12088139 -1.27232767 0.30653527 -1.88631372 0.62709472 7.89844663 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 123-00-2 61055 144212393 Ac A 4-Morpholinepropanamine NCCCN1CCOCC1 Tox21_302076 -NCGC00255839-01 196710833 tox21-ror-cho-viability-p1 set2 4 -4.49514808 -3.22609372 -1.69515208 -4.61377994 -3.37626922 -1.36234765 -0.05205611 0.22735789 -1.12612534 -0.69082864 -2.20604021 -1.94641949 -0.26832684 -1.01162617 -10.06263199 1.149E-9 2.569E-9 5.7449999999E-9 1.285E-8 2.8729999999E-8 6.4229999999E-8 1.436E-7 3.212E-7 7.182E-7 0.000001606 0.000003591 0.0000080289999999 0.00001795 0.00004015 0.000089769999999 97-78-9 7348 144211669 A A N-Dodecanoyl-N-methylglycine O=C(CCCCCCCCCCC)N(C)CC(=O)O Tox21_301352 -NCGC00357103-01 196711229 tox21-ror-cho-viability-p1 set2 4 0.0103183375 -8.374913504 -0.5 -8.874913504 4.9549173134 0.3802971084 0.3070970233 0.60255518 0.83638985 -1.26212627 -1.53456754 -1.17802549 -9.2322906 -6.88457941 -17.81242792 -16.78879164 -0.23408412 -5.43789366 -15.34107589 0 -7.58578326 -0.09701127 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 NOCAS_47218 23665763 251919727 Sodium bisulfite, mixture of NaHSO3 and Na2S2O5 [Na+].[O-]S(=O)O Tox21_303826 -NCGC00090910-03 196711228 tox21-ror-cho-viability-p1 set2 4 28.6162996833 -15.4101013879 3 -12.4101013879 4.9549173134 0.7798760038 0.0160744542 1.35815495 2.70879851 4.17885934 0.12582254 -0.88556411 2.79242845 4.11927467 5.74456479 2.71554524 5.07101266 3.65497116 3.06759166 5.2537922 -13.67508449 20.63213943 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00256855-01 196707516 tox21-ror-cho-viability-p1 set1 -2.1 27.3060203028 -114.8770495905 2.0883301449 -112.7887194456 0.6999999999 0.721565757 0.0290500911 0.64255485 1.3770476 -0.32237441 3.52094171 0.7064247 3.67069897 3.47595211 1.2818348 -1.47169787 -15.99614374 -55.35907487 -30.61502095 -1.86139904 -85.44599958 -82.61640379 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 29091-09-6 94398 144212847 A A 2,4-Dichloro-1,3-dinitro-5-(trifluoromethyl)benzene O=[N+]([O-])c1c(Cl)c(cc([N+]([O-])=O)c1Cl)C(F)(F)F Tox21_302530 -NCGC00259701-01 196706695 tox21-ror-cho-viability-p1 set1 4 -3.64110703 -9.05832011 6.32447855 -2.18917257 1.10651876 0.05227997 0.46985741 1.22584518 0.11631446 0 1.93733361 0.78152327 -0.95154778 -4.80699632 -5.25032753 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004135 0.00009247 20325-40-0 62311 144209350 C C 3,3'-Dimethoxybenzidine dihydrochloride Cl.Cl.Nc1ccc(cc1OC)c2ccc(N)c(OC)c2 Tox21_202152 -NCGC00256492-01 196707094 tox21-ror-cho-viability-p1 set1 -2.4 30.6378586933 -28.867479364 3.5 -25.367479364 1.752947691 0.852533195 0.0020859175 6.64739875 1.8489273 1.79841772 8.74430326 -0.8976236 0.47113134 2.55658665 -0.30144298 10.88640776 3.05975615 0.95357772 1.13788045 -5.83576655 -12.93720562 -24.47289947 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5153-25-3 107377 144213110 A A 2-Ethylhexylparaben Oc1ccc(cc1)C(=O)OCC(CC)CCCC Tox21_302793 -NCGC00256829-01 196707108 tox21-ror-cho-viability-p1 set1 4 35.8063491184 11.614744772 -2.614744772 9 0.4 0.3538389422 0.3186877679 -1.06877668 1.28532503 -6.91659459 -9.26228731 0.61271273 1.11286413 -1.22491024 -0.89135735 0.90124864 -0.76604232 0.53346734 0.56550548 0.35959278 1.64629413 5.92351812 8.3169999999E-10 1.86E-9 4.159E-9 9.299E-9 2.079E-8 4.6489999999E-8 1.0399999999E-7 2.325E-7 5.198E-7 0.0000011619999999 0.000002599 0.000005812 0.000013 0.000029059999999 0.00006498 1191-16-8 14489 144213041 F 3,3-Dimethylallyl acetate CC(=O)OC\C=C(/C)C Tox21_302724 -NCGC00257154-01 196707525 tox21-ror-cho-viability-p1 set1 4 30.6378586933 13.650488292 -0.650488292 13 0.7999999999 0.6164988045 0.0861844092 -3.63056386 -2.68042707 4.77419704 -3.87540691 1.44144829 3.03471646 -1.50121242 -2.1695554 -0.08066309 0.42650519 3.57510913 2.94315997 2.17317769 7.38478636 10.03716633 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 919-31-3 13522 144213637 F Ac 3-(Triethoxysilyl)propionitrile CCO[Si](OCC)(OCC)CCC#N Tox21_303320 -NCGC00257036-01 196718132 tox21-ror-cho-viability-p1 set2 4 -5.42679853 -4.24532532 0.35645759 0.13189455 -12.42222409 -7.34027321 -1.47482242 0.39221925 -3.60142479 -0.03720293 3.65079157 0.46264819 -0.26832917 -6.21422185 -8.38739523 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 108-98-5 7969 144213574 F Ac Benzenethiol Sc1ccccc1 Tox21_303257 -NCGC00018211-10 196717704 tox21-ror-cho-viability-p1 set2 1.1 5.3080386368 88.5604385699 -3.1961631785 85.3642753914 1.8851180601 0.9771993016 1.011E-7 -5.97384307 -3.98725556 -0.96727006 -3.84961442 -6.4093119 -0.70770816 -3.90169429 -0.80362652 -0.04348787 -2.84814782 9.89354768 23.56566835 72.68746225 83.69046607 73.74612578 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 42835-25-6 3374 170466145 A Flumequine O=C(O)C3=CN1c2c(cc(F)cc2CCC1C)C3=O Tox21_110840_1 -NCGC00164127-03 196717721 tox21-ror-cho-viability-p1 set2 -2.1 54.4826732819 -90.0243948622 -2.091583539 -92.1159784012 2.4729283767 0.9867345396 4.4E-9 2.34312448 1.68944255 -0.65324297 -2.15679 -0.61545239 -4.21119076 -2.57261315 -3.2601647 -1.40045354 -3.13095848 -3.52519008 -6.72553228 -9.40415476 -29.9472335 -73.57271091 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00256540-01 196718124 tox21-ror-cho-viability-p1 set2 4 0.56381195 0.24901346 0.21435151 1.40407077 0.08395726 4.09190552 3.23851074 5.78409416 2.39411357 0.89479161 3.72861533 5.36448164 1.98852624 -0.84463797 0.24756902 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 118-79-6 1483 144213289 A A 2,4,6-Tribromophenol Brc1cc(Br)cc(Br)c1O Tox21_302972 -NCGC00258439-01 196716075 tox21-ror-cho-viability-p1 set2 4 -7.78555603 -1.29854663 -3.80176412 -5.81759676 -1.66858305 -2.79823495 -0.66856238 0.11799399 1.7137899 -0.34685188 -2.03318757 -9.54248292 0.89532319 2.76592449 -0.18585883 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.311E-7 7.405E-7 0.000001656 0.000003702 0.000008279 0.00001851 0.00004139 0.00009256 2210-79-9 16640 144208083 A A o-Cresyl glycidyl ether Cc2ccccc2OCC1CO1 Tox21_200885 -NCGC00258670-01 196715658 tox21-ror-cho-viability-p1 set2 4 3.8174124 0.76801184 1.6537349 1.81540648 1.89031822 0.77749145 0.55196597 4.15126359 4.1600923 2.280982 1.20165166 1.52405912 4.33205448 2.99421909 -0.32287045 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.354E-7 0.0000016439999999 0.0000036769999999 0.0000082219999999 0.000018379999999 0.00004111 0.00009192 137-17-7 8717 144208316 A Ac 2,4,5-Trimethylaniline Cc1cc(C)c(N)cc1C Tox21_201118 -NCGC00258685-01 196715663 tox21-ror-cho-viability-p1 set2 4 3.92424146 5.42436116 3.15150252 1.52189961 4.80523703 5.61083165 0.30854516 2.72260112 4.21554363 3.76313022 -0.1576444 5.26181184 1.04911512 1.70195919 1.47885746 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.000018359999999 0.000041049999999 0.000091779999999 149-44-0 23689980 144208331 AC Ac Sodium hydroxymethanesulfinate [Na+].[O-]S(=O)CO Tox21_201133 -NCGC00258079-01 196715671 tox21-ror-cho-viability-p1 set2 1.4 0.0043761693 16.881968964 -14.381968964 2.5 0.5999999999 0.75442034 0.018356686 -10.31830747 -9.16325551 0 -6.3270159 -0.13710592 0.18254865 -0.57600773 2.31196669 0.9727966 0.22931826 0.18085315 4.4029878 1.64843615 5.99649162 1.89307878 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.977E-8 6.656E-8 1.4879999999E-7 3.3279999999E-7 7.441E-7 0.0000016639999999 0.000003721 0.00000832 0.0000186 0.0000416 0.000093019999999 681-57-2 12681 144207723 A A 2,2-Dimethylpentanedioic acid CC(C)(CCC(O)=O)C(=O)O Tox21_200525 -NCGC00258323-01 196716082 tox21-ror-cho-viability-p1 set2 4 2.35557427 5.08177031 1.05779061 0.32494259 3.81192873 7.274858 1.11575813 -1.03894872 3.27193539 0.77627169 0.59486802 6.78679867 3.06076758 6.84944025 6.38621173 1.219E-9 2.725E-9 6.093E-9 1.3619999999E-8 3.046E-8 6.8119999999E-8 1.5229999999E-7 3.406E-7 7.616E-7 0.000001703 0.000003808 0.000008515 0.000019039999999 0.00004257 0.0000952 105-58-8 7766 144207967 AC Fns Diethyl carbonate O=C(OCC)OCC Tox21_200769 -NCGC00257567-01 196716083 tox21-ror-cho-viability-p1 set2 4 0.20337562 -1.15182418 -1.9368367 0.195757 -1.38430209 2.02673029 -0.6383135 1.55410875 -1.23527445 -3.22966723 -1.33138818 6.55458826 -1.34953589 -2.22189882 -0.68226744 1.165E-9 2.606E-9 5.827E-9 1.303E-8 2.9129999999E-8 6.514E-8 1.457E-7 3.2569999999E-7 7.2829999999E-7 0.000001629 0.0000036419999999 0.000008143 0.00001821 0.00004071 0.00009104 2530-87-2 62449 144207211 D (3-Chloropropyl)trimethoxysilane CO[Si](CCCCl)(OC)OC Tox21_200013 -NCGC00257788-01 196716090 tox21-ror-cho-viability-p1 set2 4 0.32495915 0.70578209 -2.9081259 -0.13678281 -0.23261788 0.46519117 -3.7893323 -1.96798819 -1.98742339 -0.23725467 -1.89994847 -2.25829193 -2.84040027 -1.4596424 -1.69028176 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.386E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 3173-53-3 18502 144207432 F Isocyanatocyclohexane O=C=N/C1CCCCC1 Tox21_200234 -NCGC00258481-01 196716484 tox21-ror-cho-viability-p1 set2 4 -4.55311661 3.53729459 -4.44903146 0.09499355 1.19091134 -6.22615131 -1.2017182 1.25944934 0.91384079 2.21589 -7.92467943 1.17266859 1.13739819 0.43114173 -3.17762346 1.2359999999E-9 2.764E-9 6.1809999999E-9 1.382E-8 3.09E-8 6.9099999999E-8 1.545E-7 3.4549999999E-7 7.7259999999E-7 0.0000017279999999 0.000003863 0.000008638 0.000019309999999 0.00004319 0.000096569999999 352-93-2 9609 144208125 FNS Diethyl sulfide CCSCC Tox21_200927 -NCGC00258086-01 196716489 tox21-ror-cho-viability-p1 set2 4 48.5577336745 -13.983109996 2 -11.983109996 1.4641 0.7122491691 0.0334225868 1.47607558 3.12857775 3.09010684 1.23290633 3.3128732 1.55134 1.52787131 1.95288523 2.542942 2.01683995 -4.47811297 2.83678072 0.39312592 -4.61318035 -8.31925833 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004124 0.00009223 1821-02-9 74563 144207730 B B 2-Oxopentanoic acid CCCC(=O)C(=O)O Tox21_200532 -NCGC00258321-01 196716496 tox21-ror-cho-viability-p1 set2 4 0.31611215 6.2340521 3.62023657 2.69570681 3.78806908 1.42609016 4.67635045 1.48314216 4.1834876 1.7629737 1.68308704 -0.38982295 1.94466751 -0.58198911 2.36541497 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 79-40-3 2777982 144207965 A Dithiooxamide NC(=S)C(N)=S Tox21_200767 -NCGC00254067-01 196699695 tox21-ror-cho-viability-p1 set1 4 24.3365162115 -9.0298491079 0.5 -8.5298491079 4.9549173134 0.7260497496 0.0279333437 2.10231638 4.83001801 0.19134361 -1.44817988 1.09563619 -0.33849572 -1.43718771 1.38320132 -0.12350859 -2.68033539 -1.35086342 2.51493661 -1.49695496 -8.21344409 -8.35820759 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 128-39-2 31405 144210411 A A 2,6-Di-tert-butylphenol CC(C)(C)c1cccc(c1O)C(C)(C)C Tox21_300091 -NCGC00160537-04 196699701 tox21-ror-cho-viability-p1 set1 4 -0.04417105 0.13303824 -0.60935276 0.67403474 1.99374499 1.95606198 1.29128253 -0.01464511 2.73416057 -1.52792658 3.40224041 2.99492894 3.79195835 0.09672327 -2.14440902 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00254640-01 196699697 tox21-ror-cho-viability-p1 set1 4 3.96233147 1.96888735 2.55959907 3.51846105 0.84889178 0.90735264 1.65907315 -1.51236292 -3.28026928 3.60808366 0.3228642 1.69794195 -0.50880661 0.78916742 1.43469966 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10319-14-9 25152 144211051 Cc Fc C.I. Disperse Yellow 64 O=C4c1ccccc1C(=O)C4c2nc3ccccc3c(Br)c2O Tox21_300734 -NCGC00254648-01 196699699 tox21-ror-cho-viability-p1 set1 4 2.77624713 3.24529264 -6.65461657 -2.68001391 0.1201196 -2.55035372 1.52742077 -2.60936536 0.41809687 -1.22586301 0.26280852 2.02682156 2.08176042 -3.10385066 1.25581328 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25057-89-0 2328 144211059 A A Bentazone CC(C)N1C(=O)c2ccccc2NS1(=O)=O Tox21_300742 -NCGC00256309-01 196700111 tox21-ror-cho-viability-p1 set1 4 27.3060203028 12.028731624 -4.028731624 8 1.3987170999 0.5760966364 0.1155377283 1.11094225 -4.86988284 -11.27394302 -2.80966407 -3.04819797 -3.10004385 -0.2656271 -5.29896508 -4.83434073 -5.1948333 -1.42393135 -1.76590038 0.01141205 2.83219199 7.26656358 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5536-61-8 3255932 144211953 A Sodium methacrylate [Na+].C=C(C)C([O-])=O Tox21_301636 -NCGC00255829-01 196700524 tox21-ror-cho-viability-p1 set1 4 2.36495476 0.12849421 3.22697818 -0.11768061 3.0594207 5.67889717 1.70167533 1.6406988 -1.16778545 3.44349212 1.8758338 1.04452387 -1.15465339 5.90829585 0.58750336 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 517-23-7 10601 144212346 F F 3-Acetyldihydro-2(3H)-furanone CC(=O)C1CCOC1=O Tox21_302029 -NCGC00256235-01 196700529 tox21-ror-cho-viability-p1 set1 4 0.67579859 -1.63966303 -0.19521628 0.50396903 -0.65573323 2.02704449 -0.36551111 0.91632448 -2.32143164 -0.43368632 2.41146602 -0.64266273 1.01645627 2.29126756 1.62124937 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3698-89-3 77287 144211582 Ac Fns 1-(Methylsulfanyl)dodecane CSCCCCCCCCCCCC Tox21_301265 -NCGC00256132-01 196700536 tox21-ror-cho-viability-p1 set1 4 48.5577336745 -12.37183994 1.5 -10.87183994 3.9294729863 0.5858226623 0.108307367 0.72856455 1.46360596 3.95442793 0.39602572 3.19920906 3.89372171 2.70570807 2.86440736 -0.48276859 -2.3200045 2.46236761 -5.25349691 3.63645123 -3.01030402 -9.89319995 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3445-11-2 76980 144212017 A A 1-(2-Hydroxyethyl)pyrrolidin-2-one O=C1CCCN1CCO Tox21_301700 -NCGC00256189-01 196700933 tox21-ror-cho-viability-p1 set1 4 4.55683287 2.01565258 2.00027206 1.29288467 1.32457649 1.79378822 1.71156888 4.84409248 0.57996712 0.56515157 -0.14463231 2.30213204 0.96200163 5.46676983 4.41896555 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 501-52-0 107 144212646 A A Hydrocinnamic acid O=C(O)CCc1ccccc1 Tox21_302329 -NCGC00255337-01 196700934 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -17.315633688 1 -16.315633688 4.9549173134 0.7851250443 0.0108376245 -0.54433253 1.34187274 1.90587513 -1.47250943 3.23915851 3.47595992 3.44156471 1.96686533 -0.5217484 4.05493053 -1.26068245 -1.75582987 1.86299051 -0.00084183 -13.17969474 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 53939-28-9 5364495 144212141 D F (Z)-11-Hexadecenal CCCC\C=C/CCCCCCCCCC=O Tox21_301824 -NCGC00255194-01 196700937 tox21-ror-cho-viability-p1 set1 4 -9.65478438 -7.54219938 -0.41805166 -9.80515955 -1.41698256 -0.59439212 -13.94630454 -11.96303076 -8.48313821 -4.5236823 -6.99948815 -6.2716484 -12.04600983 -3.32046266 -6.43596146 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-14-7 5976 144212675 1,1-Dimethylhydrazine CN(C)N Tox21_302358 -NCGC00256054-01 196710048 tox21-ror-cho-viability-p1 set2 4 0.5448267328 5.7122437399 -5.7122437399 0 4.9549173134 0.4273471632 0.2468120975 -0.06303324 -14.34353645 -4.21433606 -8.93155073 -3.9553859 -3.41966843 -2.93839953 -8.11499697 0.70302435 -0.90961253 0.1233357 -1.34085793 1.41158733 1.93522092 -2.0908346 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2517-43-3 17291 144211940 A 3-Methoxybutan-1-ol CC(CCO)OC Tox21_301623 -NCGC00091205-03 196710041 tox21-ror-cho-viability-p1 set2 4 -0.37742265 2.20228418 -0.59813177 0.55161178 1.07794046 4.19479747 2.44850202 2.03723417 -0.60473568 0.96633143 0.70316488 0.98183543 1.19841081 2.06536764 1.5010061 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00163771-03 196710042 tox21-ror-cho-viability-p1 set2 4 -6.41797197 -6.81201782 -5.92165042 -6.74452512 2.00268703 -5.05004504 0.55770849 -1.90249254 0.02310907 1.5410143 -0.46506312 -1.77455472 -5.2885247 -3.61873952 2.3816708 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00255903-01 196710046 tox21-ror-cho-viability-p1 set2 4 4.95160646 -0.5661933 0.7813459 -1.06374053 2.98423545 -0.87980084 -0.5634707 1.63068927 0.06436631 3.14624029 1.86135096 2.65104829 3.18264659 -1.32526684 4.19513916 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56539-66-3 62118 144212432 A 3-Methoxy-3-methylbutan-1-ol CC(C)(CCO)OC Tox21_302115 -NCGC00255776-01 196710051 tox21-ror-cho-viability-p1 set2 -1.1 17.2289340586 -72.8592594889 -2.530298499 -75.3895579879 2.4063783767 0.9829714038 1.87E-8 -1.73198959 0.15148725 -6.59034364 -2.94387227 -3.73784985 -6.06490024 -3.12466518 -5.51038815 2.89502 1.73714847 -4.51178584 -11.99741683 -42.57934405 -72.40796499 -69.13526153 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5137-55-3 21218 144212515 D Methyltrioctylammonium chloride [Cl-].CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC Tox21_302198 -NCGC00259772-01 196706315 tox21-ror-cho-viability-p1 set1 4 -9.22608976 -0.26076147 -13.54356744 -3.81566751 -15.44054662 -4.68408783 -10.97165753 -9.84344872 -4.14748492 0 -5.02217805 -5.93681332 -7.07369977 -20.86555003 -28.11544043 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 89-87-2 6991 144209421 A A 1,3-Dimethyl-4-nitrobenzene Cc1cc(C)ccc1[N+](=O)[O-] Tox21_202223 -NCGC00025125-18 196705500 tox21-ror-cho-viability-p1 set1 4 0.118832183 -11.1772766439 3 -8.1772766439 0.3 0.7493334318 0.0201881624 2.37727854 -0.44077045 -1.96636646 0.63865493 0.97781538 -2.04547144 -0.85332947 -4.90801866 -4.64413106 -2.96501155 -3.70383905 -4.18547772 -8.48106387 -6.93688228 -5.30799429 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64-86-8 6167 170465011 A Colchicine CC(=O)N[C@H]2CCc3cc(OC)c(OC)c(OC)c3C1=CC=C(OC)C(=O)C=C12 Tox21_110947_1 -NCGC00259122-01 196705906 tox21-ror-cho-viability-p1 set1 4 2.4336516212 10.5124272919 -12.5124272919 -2 4.9549173134 0.743132512 0.0217070893 -14.98930562 -9.57918112 -11.69431979 -14.88800981 -9.4256519 -11.52111308 -12.30768192 -15.84368941 -9.51919241 -13.87096376 0.85349387 1.57101807 -4.89866535 -4.99187771 -4.31399845 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.000003688 0.000008248 0.00001844 0.00004124 0.000092209999999 97-85-8 7351 144208771 FNS Isobutyl isobutyrate CC(C)C(=O)OCC(C)C Tox21_201573 -NCGC00163815-04 196705918 tox21-ror-cho-viability-p1 set1 -2.2 36.6609083917 -38.1959375779 -0.992810821 -39.1887483989 1.21 0.7404159448 0.0224372873 -5.84502612 1.19149168 -10.52624296 -3.86250465 6.707197 2.94592055 8.52680886 1.71677814 2.43451769 -5.33834188 -11.70234455 -8.08535272 -9.71938759 -18.27527796 -36.40129935 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00259536-01 196706323 tox21-ror-cho-viability-p1 set1 -2.1 30.202177847 -105.6065601947 2.0151093084 -103.5914508863 1.0999999999 0.9209183712 0.0000971809 -3.5025693 2.93818364 0.5673131 8.82812007 -0.06208213 3.79118032 -2.06144854 -0.51077428 0.80390216 4.29442223 -2.07950722 -28.18896214 -46.15206984 -41.15106596 -90.86969376 1.166E-9 2.606E-9 5.8279999999E-9 1.303E-8 2.9139999999E-8 6.516E-8 1.457E-7 3.2579999999E-7 7.285E-7 0.000001629 0.0000036429999999 0.0000081449999999 0.00001821 0.00004073 0.00009106 133-07-3 8607 144209185 D Folpet ClC(Cl)(Cl)SN2C(=O)c1ccccc1C2=O Tox21_201987 -NCGC00259572-01 196706742 tox21-ror-cho-viability-p1 set1 4 4.00651172 5.17166311 -2.60224412 -0.2331353 1.49543022 4.92769005 2.77254596 1.85567056 3.80160079 4.04788698 2.18093562 0.00167752 5.31268106 6.00427213 4.59909984 1.188E-9 2.657E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016599999999 0.000003713 0.000008302 0.00001856 0.000041509999999 0.00009282 96-18-4 7285 144209221 A A 1,2,3-Trichloropropane ClCC(Cl)CCl Tox21_202023 -NCGC00259927-01 196706749 tox21-ror-cho-viability-p1 set1 4 27.4171332585 -11.344467532 1.5 -9.844467532 0.7999999999 0.5491465567 0.137538123 0.33967231 2.5867732 0.09499596 4.11137354 1.33369963 1.38870545 1.57034563 -4.06238639 5.46245859 0 0.46191994 -5.2773565 0.254413 -6.0573037 -7.37038961 1.1839999999E-9 2.648E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.619E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 122-34-9 5216 144209576 A A Simazine Clc1nc(NCC)nc(NCC)n1 Tox21_202378 -NCGC00357250-01 196712085 tox21-ror-cho-viability-p1 set2 2.4 61.130564862 20.568228584 1.431771416 22 1.826479391 0.8165947088 0.005568906 -1.72352382 3.48856008 3.40243268 0.58600434 3.12674653 -1.52927012 -1.07790301 0.35496732 2.88060607 2.03449808 3.29314783 0.45643923 5.08436212 6.51757948 16.74369137 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2497-06-5 17241 251919770 A Disulfoton sulfone O=S(=O)(CCSP(=S)(OCC)OCC)CC Tox21_304043 -NCGC00090698-04 196712072 tox21-ror-cho-viability-p1 set2 3 68.5896218971 38.5027075279 -1.0027075279 37.5 4.9549173134 0.9838839697 1.36E-8 -0.08781663 -1.11685556 0 -0.14474944 -0.2667314 -1.06529987 -0.72363623 -1.44613111 -0.94835977 -0.28025921 -1.73642192 -4.16892294 -1.02818115 1.28817274 30.2213804 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00260048-01 196712081 tox21-ror-cho-viability-p1 set2 4 33.5596009434 -18.5902633919 6 -12.5902633919 4.9549173134 0.734475167 0.0246538349 4.08896237 1.39144765 7.68449746 5.97003004 0.69174893 6.54188305 6.39111577 9.50567307 3.56247394 7.62509439 7.37085192 4.94149635 7.81624581 5.89598664 -10.49188616 5.909E-10 1.3209999999E-9 2.955E-9 6.607E-9 1.477E-8 3.303E-8 7.387E-8 1.652E-7 3.693E-7 8.2579999999E-7 0.0000018469999999 0.000004129 0.000009233 0.000020649999999 0.00004617 481-74-3 10208 144209697 F F Chrysophanic acid Oc3cccc2C(=O)c1cc(C)cc(O)c1C(=O)c23 Tox21_202499 -NCGC00018100-08 196712484 tox21-ror-cho-viability-p1 set2 4 14.9600854925 -11.113814736 1 -10.113814736 0.6 0.6560208179 0.0743790995 3.53844788 0.17631823 0.13794949 0.32152049 2.87950011 -0.89687425 -0.39114019 -0.11840017 -0.37749492 -0.07819078 -1.33727306 -3.4434374 -1.06649923 -6.76151228 3.03607513 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 105628-07-7 163751 170466011 A Fasudil hydrochloride Cl.O=S(=O)(c2cccc1cnccc12)N3CCCNCC3 Tox21_110824_1 -NCGC00183007-01 196712486 tox21-ror-cho-viability-p1 set2 4 -0.66876206 2.78391513 3.50704866 0.68829234 2.79173494 -0.10865261 -2.65262391 -4.06844136 -0.4569541 -2.12427367 -1.0210381 -2.67925666 -1.6134838 -1.19335878 -5.32598814 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79714-31-1 133264 144206824 B B Risarestat CCCCCOc1ccc(cc1OCC)C2SC(=O)NC2=O Tox21_113273 -NCGC00258789-01 196709186 tox21-ror-cho-viability-p1 set2 4 3.03005009 1.20319417 -1.52959085 -2.70909279 -2.17671639 3.42045276 -3.65890978 0.11831525 -3.29510169 0.26022803 -1.03132924 -0.02986219 2.80518476 1.59139983 3.26344607 1.191E-9 2.664E-9 5.9569999999E-9 1.332E-8 2.979E-8 6.66E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.0000037229999999 0.000008326 0.00001862 0.00004163 0.00009308 94-80-4 7206 144208435 A A 2,4-D 1-butyl ester Clc1cc(Cl)ccc1OCC(=O)OCCCC Tox21_201237 -NCGC00091650-03 196708769 tox21-ror-cho-viability-p1 set2 4 1.2541546 -3.32555919 -0.63688367 -3.56666321 -0.09209164 -0.10371148 1.43824127 1.42392844 -2.27056312 -1.52656746 -0.77956084 -0.32788345 1.30080368 1.49481044 -6.54857381 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00259149-01 196708774 tox21-ror-cho-viability-p1 set2 4 0.022264696 7.6788734519 -9.1788734519 -1.5 4.9549173134 0.4229124675 0.2505421337 -1.35913022 -7.62857225 -10.45077421 -17.64906121 -0.0084898 -1.05014898 -1.02348446 -0.31616351 -2.30210964 -1.97237607 -1.83926017 -0.60593371 1.01393195 -8.42353162 -1.15699061 1.206E-9 2.697E-9 6.0309999999E-9 1.349E-8 3.016E-8 6.743E-8 1.5079999999E-7 3.371E-7 7.539E-7 0.0000016859999999 0.000003769 0.000008429 0.00001885 0.00004214 0.000094239999999 60-80-0 2206 144208798 A A Phenazone O=C2C=C(C)N(C)N2c1ccccc1 Tox21_201600 -NCGC00258925-01 196708776 tox21-ror-cho-viability-p1 set2 4 69.2178691585 -19.165189656 1 -18.165189656 4.9549173134 0.8963372892 0.000391817 2.32477737 2.55246768 -0.274892 0.90626836 -0.70512229 2.08346758 3.47809417 2.23706986 -0.02937728 0.2750816 -0.93303728 2.1338086 0.0681546 0.93764308 -14.72099138 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.971E-8 6.6439999999E-8 1.486E-7 3.3219999999E-7 7.429E-7 0.0000016609999999 0.000003714 0.000008305 0.00001857 0.00004153 0.00009286 501-36-0 445154 144208572 A A Resveratrol Oc2cc(/C=C/c1ccc(O)cc1)cc(O)c2 Tox21_201374 -NCGC00260010-01 196709195 tox21-ror-cho-viability-p1 set2 4 -3.83986946 -2.67533457 -5.16953106 -0.65989728 -0.14812008 0.75565646 -0.8121149 -0.75455314 -1.54118726 -1.37403314 0.08368762 -0.96789196 -0.89537963 -3.28158955 -2.95101655 1.2629999999E-9 2.824E-9 6.3139999999E-9 1.412E-8 3.157E-8 7.059E-8 1.579E-7 3.5299999999E-7 7.893E-7 0.0000017649999999 0.000003946 0.0000088239999999 0.00001973 0.00004412 0.00009866 26628-22-8 33557 144209659 Sodium azide [Na+].[N-]=[N+]=[N-] Tox21_202461 -NCGC00259015-01 196709593 tox21-ror-cho-viability-p1 set2 4 0.0193901734 13.371660368 -6.371660368 7 0.2 0.4580196922 0.2197570263 -0.62637194 -4.47638364 0.1447377 0.04313108 5.83253865 2.63177163 0.49003442 -0.67414852 0.39037082 2.04986257 3.24446347 5.14049651 7.57783211 4.6838807 3.29324358 1.183E-9 2.645E-9 5.913E-9 1.322E-8 2.9569999999E-8 6.611E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.0000082639999999 0.00001848 0.00004132 0.0000924 99-99-0 7473 144208662 A A 4-Nitrotoluene Cc1ccc(cc1)[N+](=O)[O-] Tox21_201464 -NCGC00259503-01 196709594 tox21-ror-cho-viability-p1 set2 4 2.54654066 1.09060158 1.27903811 2.21846668 -0.12471428 1.73846082 2.00622729 1.35034956 -0.57698265 1.91087261 1.1713798 1.39547134 -0.4724248 -0.05451534 -6.82044664 1.188E-9 2.657E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.641E-8 1.4849999999E-7 3.321E-7 7.425E-7 0.0000016599999999 0.000003713 0.000008302 0.00001856 0.000041509999999 0.00009282 693-23-2 12736 144209152 A A Dodecanedioic acid O=C(O)CCCCCCCCCCC(=O)O Tox21_201954 -NCGC00255097-01 196719834 tox21-ror-cho-viability-p1 set3 4 -43.54304986 8.06777133 0.42101335 1.03445292 9.48880727 9.47905258 -1.39308472 10.0264184 6.78490349 6.64315918 2.56411136 13.69709772 9.76502084 -6.20146177 8.71821316 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-44-2 7756 144211517 I I N-Hydroxy-4-methylpentan-2-imine CC(C)CC(\C)=N\O Tox21_301200 -NCGC00090686-07 196720235 tox21-ror-cho-viability-p1 set3 4 -11.62267645 -4.68488731 0.58293342 0.32545768 -3.2308269 1.2530196 -4.88786405 -5.08421968 -3.65130741 -2.81974931 -3.69396016 -0.29383856 -22.44164458 -1.80271165 1.58050565 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00254799-01 196720238 tox21-ror-cho-viability-p1 set3 4 0.6113056486 -5.710702664 1.5 -4.210702664 4.9549173134 0.3105677472 0.3581241013 -3.60609565 -1.47766096 -1.29164128 -1.81899633 7.04686912 5.42598445 3.45195361 5.65409052 -3.4813281 -8.01012336 -9.34225222 -7.58696778 4.17683797 -0.19551307 -3.68049473 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1777-82-8 15684 144211212 A A 2,4-Dichlorobenzyl alcohol OCc1ccc(Cl)cc1Cl Tox21_300895 -NCGC00257148-01 196718164 tox21-ror-cho-viability-p1 set2 4 0.24429688 1.00106581 1.28728211 2.74313777 2.08661967 6.71910848 1.21230764 4.24639124 6.56607066 4.75950262 6.74323931 7.5826829 3.36836256 5.0685987 0.35536231 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-15-9 7078 144213538 A D N-(2-Methoxyphenyl)-3-oxobutanamide COc1ccccc1NC(=O)CC(C)=O Tox21_303221 -NCGC00015786-16 196717326 tox21-ror-cho-viability-p1 set2 4 0.118832183 16.2820548799 -11.2820548799 5 0.5 0.8701847938 0.0011574664 -11.9017124 -10.17350273 -4.24924564 -10.56023011 -6.40520222 -8.49553199 -1.76658881 -3.25127737 -0.0470611 -0.5664092 0.29334038 4.5207843 5.5184927 3.53863942 2.92841179 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13523-86-9 4828 170464892 A Pindolol CC(C)NCC(O)COc2cccc1nccc12 Tox21_110221_1 -NCGC00178896-05 196717730 tox21-ror-cho-viability-p1 set2 4 0.34569722 0.88576876 1.12056256 1.92223476 -6.67363673 -6.56231128 -1.04898365 -2.96089372 0.60805615 0.94833061 2.24475828 1.33423566 -0.33103799 0.81511916 0.97780413 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 76-90-4 6461 170465214 A Mepenzolate bromide [Br-].O=C(OC1CCC[N+](C)(C)C1)C(O)(c2ccccc2)c3ccccc3 Tox21_110367_1 -NCGC00015997-10 196717748 tox21-ror-cho-viability-p1 set2 4 -4.01248269 1.90373073 -4.39228022 -0.08286213 1.54088968 -1.62074122 -0.94477931 -2.44308531 -2.09979557 -1.80689779 -0.56815417 -1.63838581 1.41290912 0.85124309 0.83488362 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 107-35-7 1123 170465726 Z Taurine NCCS(=O)(=O)O Tox21_110277_1 -NCGC00257123-01 196718569 tox21-ror-cho-viability-p1 set2 2.2 61.130564862 63.5166551092 2.324766426 65.8414215352 3.1319983358 0.9314875568 0.0000458853 -0.94339411 3.47666212 -1.9267166 0 4.01306866 -1.34996694 2.93289993 6.15303754 1.74762477 4.03447656 10.91813109 3.52132754 -1.41764174 18.61175476 51.70501994 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66-71-7 1318 144213428 A A 1,10-Phenanthroline c1ccnc3c1ccc2cccnc23 Tox21_303111 -NCGC00256414-01 196718575 tox21-ror-cho-viability-p1 set2 4 -0.8786207 0.33567995 0.22235357 -2.18969705 -3.41633469 -1.27774936 0.69256474 1.76854157 -2.9937149 -0.39458287 -1.18789278 -0.11919219 -1.43871313 -1.70285203 -1.03908896 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-20-2 2727 144213106 A A Chlorpropamide O=S(=O)(NC(=O)NCCC)c1ccc(Cl)cc1 Tox21_302789 -NCGC00257107-01 196718579 tox21-ror-cho-viability-p1 set2 -2.4 61.130564862 -33.990009116 2 -31.990009116 4.9549173134 0.9413742321 0.0000200433 1.56472056 3.7191064 -0.79527588 2.25469389 3.03913513 5.52370819 2.69945289 1.92925114 5.58456644 2.05938933 -1.61748108 2.17341806 0.64396384 -1.8894026 -27.90834093 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25152-84-5 5283349 144213482 F Fns (E,E)-2,4-Decadienal CCCCC\C=C\C=C\C=O Tox21_303165 -NCGC00257457-01 196718581 tox21-ror-cho-viability-p1 set2 4 -0.57276407 2.093849 1.52968383 3.44294476 1.03303556 5.57613642 1.76148612 5.87832753 2.04446568 3.23677103 8.53229702 5.97267902 1.00429151 4.21311703 0.41124248 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-62-6 5363269 144213828 A Fns Ethyl oleate O=C(CCCCCCC/C=C\CCCCCCCC)OCC Tox21_303521 -NCGC00257407-01 196718997 tox21-ror-cho-viability-p1 set2 4 -0.70069331 0.79829852 2.92321557 4.15574557 1.92683663 4.81486765 6.50246739 4.34148205 2.61824032 2.72917294 2.52581192 3.25762964 2.27444021 5.31494142 3.46317601 1.121E-9 2.506E-9 5.6039999999E-9 1.2529999999E-8 2.802E-8 6.265E-8 1.401E-7 3.133E-7 7.005E-7 0.000001566 0.0000035019999999 0.000007831 0.00001751 0.00003916 0.00008756 13674-84-5 26176 144213839 A A Tris(2-chloroisopropyl)phosphate ClCC(C)OP(=O)(OC(C)CCl)OC(C)CCl Tox21_303533 -NCGC00256611-01 196719422 tox21-ror-cho-viability-p1 set2 4 -1.30340049 0.05689787 0.61412851 -1.02555294 -0.93508641 5.01096566 -0.18435923 6.59749613 0.74158872 -0.81775098 -0.81646482 1.28217541 0.17274952 1.13810762 5.24106276 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 110-43-0 8051 144213252 Fns 2-Heptanone CC(=O)CCCCC Tox21_302935 -NCGC00257607-01 196702183 tox21-ror-cho-viability-p1 set1 4 0.0267515892 -14.57069362 1.5 -13.07069362 0.4 0.6455289208 0.0672161398 -4.21459044 -0.98214354 1.68452823 -8.95770805 -6.75928704 -5.88911451 -12.25368845 -9.23460617 -5.7831041 -10.74426178 -10.02084705 -10.79090432 -15.05891135 -12.72271744 -11.55550963 1.16E-9 2.5929999999E-9 5.799E-9 1.297E-8 2.9E-8 6.4839999999E-8 1.45E-7 3.2419999999E-7 7.2489999999E-7 0.000001621 0.000003625 0.000008105 0.00001812 0.00004052 0.00009061 17376-04-4 28503 144207251 C 2-Iodoethylbenzene ICCc1ccccc1 Tox21_200053 -NCGC00357119-01 196724546 tox21-ror-cho-viability-p1 set3 4 0.1535530364 8.7543346 -7.7543346 1 4.9549173134 0.5026455812 0.1762561303 -13.56065419 -0.38509217 -5.61440521 -8.01012685 -5.63776736 -13.9619455 -3.02816356 3.30177629 -2.74948449 -3.7042926 7.73384516 0.91912237 -2.97852342 3.48135809 -0.02883293 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-56-8 11439 251919859 Succinimide O=C1CCC(=O)N1 Tox21_303851 -NCGC00357211-01 196724547 tox21-ror-cho-viability-p1 set3 4 0.0038570779 10.284989224 -8.784989224 1.5 0.5999999999 0.436464503 0.2566381242 -6.48749102 -4.26514434 0.50160646 -4.73619297 1.74963812 -1.52450266 -1.67673118 -1.84074326 2.89470883 2.3626683 5.11151906 3.57050885 -0.55563153 -2.41800267 -2.8300885 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-01-5 91759533 251919913 F Glycerol tributyrate O=C(CCC)OC(OC(=O)CCC)OC(=O)CCC Tox21_303991 -NCGC00357018-01 196724554 tox21-ror-cho-viability-p1 set3 3 61.130564862 44.7487464189 -2.0111889579 42.737557461 2.09374246 0.8272559651 0.0042412067 -5.6362673 -2.83025559 -4.17802117 -4.54151205 -3.72705868 -5.19086262 -3.36984732 2.22229904 3.1775338 -8.41496702 4.5519766 4.37087782 5.70949431 8.46526063 32.45274764 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2081-08-5 608116 251919827 A Bisphenol E CC(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_304007 -NCGC00256216-01 196701357 tox21-ror-cho-viability-p1 set1 4 0.01506934 0.30705591 -4.795758 -0.60614281 -0.82896838 3.20298411 0.28460599 3.32739598 0.26498623 4.56420976 2.73438714 -0.579445 0.32054763 1.70405292 0.52453881 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 46728-75-0 23688987 144211620 A A Lithium 3-carboxy-5-sulfobenzoate [Li+].OS(=O)(=O)c1cc(cc(c1)C([O-])=O)C(=O)O Tox21_301303 -NCGC00258005-01 196701767 tox21-ror-cho-viability-p1 set1 4 1.44165465 -0.81760808 5.61003468 2.13447874 3.40602362 -0.22048248 9.78447681 8.67051661 9.4213943 9.07921626 3.35526149 2.39211506 0.32352194 1.14204981 0.62897575 1.185E-9 2.649E-9 5.923E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 764-41-0 15122 144207649 FNS 1,4-Dichloro-2-butene ClCC=CCCl Tox21_200451 -NCGC00257734-01 196701766 tox21-ror-cho-viability-p1 set1 4 4.85800176 3.48717427 -2.28358447 -0.33255559 -1.48137934 -0.19843596 3.71608265 0.75991291 1.49844439 -2.1952475 0.6200042 2.43926012 1.55230598 -1.15691627 1.61271406 1.1699999999E-9 2.6159999999E-9 5.85E-9 1.3079999999E-8 2.925E-8 6.54E-8 1.462E-7 3.27E-7 7.3119999999E-7 0.000001635 0.000003656 0.000008176 0.00001828 0.00004088 0.00009141 32210-23-4 36081 144207378 I 4-tert-Butylcyclohexyl acetate O=C(C)OC1CCC(CC1)C(C)(C)C Tox21_200180 -NCGC00257863-01 196702185 tox21-ror-cho-viability-p1 set1 4 -1.00791633 -1.97562066 -7.99909315 -2.12170788 -1.57975289 -4.63426634 -2.90899439 -3.08208693 -0.54188157 -2.10106326 -2.49392813 -12.66923682 -1.97045417 -8.59136545 -8.01775856 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041229999999 0.00009218 298-59-9 9280 144207507 A A Methylphenidate hydrochloride Cl.O=C(OC)C(C1CCCCN1)c2ccccc2 Tox21_200309 -NCGC00258771-01 196702198 tox21-ror-cho-viability-p1 set1 4 19.7842118082 6.6940378841 0.3059621159 7 3.9899729863 0.3731650378 0.3176244781 -0.19529765 2.56865036 0.41367182 0.07889453 0.37154936 -4.74503157 -1.42548577 0.55863351 2.51450842 5.28363508 -3.3126021 -0.35040751 3.4272868 6.62265882 0.23403171 1.203E-9 2.69E-9 6.015E-9 1.345E-8 3.0079999999E-8 6.725E-8 1.504E-7 3.3629999999E-7 7.519E-7 0.0000016809999999 0.0000037599999999 0.000008407 0.0000188 0.00004203 0.000093989999999 1009-61-6 13888 144208417 A A 1,1-(1,4-Phenylene)bis-ethanone O=C(C)c1ccc(cc1)C(C)=O Tox21_201219 -NCGC00258014-01 196702602 tox21-ror-cho-viability-p1 set1 4 2.22059876 -0.12089304 -0.31986917 -0.25038201 2.41945896 -0.84624796 7.22712299 -1.00884695 8.99294549 1.93460831 -0.78865755 -0.76203837 10.45362729 -0.32746383 12.20933598 1.1989999999E-9 2.6809999999E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.701E-8 1.4979999999E-7 3.351E-7 7.492E-7 0.000001675 0.000003746 0.000008377 0.00001873 0.00004188 0.00009365 4767-03-7 78501 144207658 B B 3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid O=C(O)C(C)(CO)CO Tox21_200460 -NCGC00257737-01 196702604 tox21-ror-cho-viability-p1 set1 4 3.60369456 0.92964724 1.01581665 5.93469609 0.34218149 0.66926184 3.96161368 1.28999817 5.98833193 3.07597321 3.34984097 0.66325711 7.33652583 -1.31955081 -0.24335034 1.133E-9 2.533E-9 5.6639999999E-9 1.2659999999E-8 2.832E-8 6.332E-8 1.416E-7 3.1659999999E-7 7.0789999999E-7 0.000001583 0.00000354 0.000007915 0.0000177 0.00003958 0.000088489999999 11096-82-5 38018 144207381 D Aroclor 1260 Clc2ccc(c1ccc(Cl)c(Cl)c1Cl)c(Cl)c2Cl Tox21_200183 -NCGC00257559-01 196702605 tox21-ror-cho-viability-p1 set1 4 2.60324986 -1.46905107 -0.65455927 -1.31600852 1.27480676 -0.37068094 -6.48269593 2.03127818 -5.84577376 1.77138479 -2.55302002 1.17619458 2.04276686 -1.17214915 -2.41806628 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.302E-7 7.3839999999E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.0000923 5493-45-8 21660 144207203 A B 1,2-Cyclohexanedicarboxylic acid, bis(oxiranylmethyl) ester O=C(OCC1CO1)C2CCCCC2C(=O)OCC3CO3 Tox21_200005 -NCGC00257718-01 196702621 tox21-ror-cho-viability-p1 set1 -2.1 60.3232910561 -115.0478035279 2.1608254339 -112.886978094 2.3531167061 0.9786311504 6.96E-8 5.5411848 -1.10642816 0.64763363 0.68018902 3.08176159 1.35696625 1.71201148 5.11450079 7.87130771 3.85841394 6.11996148 -2.69736747 -10.3480993 -27.55627287 -85.52043795 1.167E-9 2.61E-9 5.835E-9 1.305E-8 2.918E-8 6.524E-8 1.459E-7 3.262E-7 7.294E-7 0.000001631 0.0000036469999999 0.0000081549999999 0.000018239999999 0.00004077 0.00009118 27193-86-8 171144 144207362 D Dodecylphenol Oc1ccccc1CCCCCCCCCCCC Tox21_200164 -NCGC00258681-01 196716217 tox21-ror-cho-viability-p1 set2 4 3.14208929 3.10946464 2.69436436 0.27333305 5.34522868 0.14406594 2.76315672 4.26826377 7.15221277 0.41606909 2.34923707 5.62608727 2.04616555 1.72353366 0.68923469 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003708 0.000008291 0.00001854 0.00004145 0.00009269 7493-63-2 24116 144208327 A A Allyl anthranilate Nc1ccccc1C(=O)OCC=C Tox21_201129 -NCGC00258222-01 196716616 tox21-ror-cho-viability-p1 set2 4 68.0319836447 -14.4238049679 -1.5 -15.9238049679 3.9294729863 0.5975602842 0.0998604576 -1.92886899 -2.54506816 -1.84296433 0.51156864 0.89470919 -1.95144389 1.50607587 -5.88128677 1.26869857 -4.5208024 -2.47438056 -4.92274116 0.6093281 -3.50543609 -12.43650414 1.172E-9 2.621E-9 5.8609999999E-9 1.311E-8 2.9299999999E-8 6.553E-8 1.465E-7 3.276E-7 7.326E-7 0.0000016379999999 0.0000036629999999 0.000008191 0.00001832 0.00004095 0.00009158 101-90-6 7586 144207866 Ac Bc Diglycidyl resorcinol ether c1ccc(cc1OCC2CO2)OCC3CO3 Tox21_200668 -NCGC00257924-01 196716210 tox21-ror-cho-viability-p1 set2 4 1.44801035 -0.60009961 -2.16743803 -2.82596991 1.1766167 -2.7346826 -0.48540828 1.12833615 -0.09852568 -0.88400648 1.07439356 1.15337765 -1.20103804 -0.40327135 0.69804025 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.000003688 0.000008248 0.00001844 0.00004124 0.000092209999999 87-60-5 6894 144207568 A A 3-Chloro-2-methylaniline Nc1cccc(Cl)c1C Tox21_200370 -NCGC00257868-01 196716211 tox21-ror-cho-viability-p1 set2 4 -5.57227844 -1.9597536 -2.782004 -1.61124591 -2.1666688 0.47725754 -1.14848153 -0.17988218 -0.47204594 -0.76089999 -2.19888117 -2.75058299 -5.80490537 -8.46073528 -5.9070731 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.5809999999E-8 1.472E-7 3.291E-7 7.358E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.00004113 0.00009198 39025-24-6 6439929 144207512 A A Guggulsterone E C\C=C4\C(=O)C[C@@H]3[C@]4(C)CC[C@H]2[C@H]3CCC1=CC(=O)CC[C@@]12C Tox21_200314 -NCGC00258313-01 196716619 tox21-ror-cho-viability-p1 set2 4 3.52741215 3.97570619 -0.40521469 1.82756321 2.91396039 0.50884865 1.20600475 -0.30944073 2.44569371 1.09198786 0.27114282 -0.15425182 -1.17059919 0.00642605 1.0285923 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.299E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.00001844 0.00004124 0.00009222 86-00-0 6829 144207957 A A 2-Nitro-1,1'-biphenyl O=[N+]([O-])c2ccccc2c1ccccc1 Tox21_200759 -NCGC00258589-01 196716635 tox21-ror-cho-viability-p1 set2 4 -0.6112704 -0.86447024 -0.3347756 -0.59139338 0.39526601 -0.45911015 0.15259037 1.16336382 1.62240513 -0.64196847 1.30005697 -5.13752025 -6.40827015 0.11714439 0.83152869 1.182E-9 2.6429999999E-9 5.91E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.304E-7 7.387E-7 0.0000016519999999 0.0000036939999999 0.000008259 0.000018469999999 0.000041299999999 0.00009234 540-51-2 10898 144208234 AC Bc 2-Bromo-1-ethanol BrCCO Tox21_201036 -NCGC00091596-05 196717038 tox21-ror-cho-viability-p1 set2 4 -1.80108389 0.18296502 1.76417253 6.24929758 5.84816053 4.66046664 4.63508695 5.47744175 -2.2377086 0.56585273 0.4230865 0.47127863 2.87133314 1.85972535 2.93648137 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-11-4 5281 170465630 A Octadecanoic acid O=C(O)CCCCCCCCCCCCCCCCC Tox21_111154_1 -NCGC00021268-04 196717040 tox21-ror-cho-viability-p1 set2 4 0.26982891 -6.57558687 -7.26670544 -3.30002455 -3.89371035 -4.77916255 -4.36078377 -1.19906868 -1.74081667 -4.65029046 -1.43359099 -2.91912859 -3.36667351 -3.58918522 -13.32938016 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 630-56-8 169870 170465210 A Hydroxyprogesterone caproate CC(=O)[C@@]3(OC(=O)CCCCC)CC[C@H]2[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_113502_1 -NCGC00262920-01 196717049 tox21-ror-cho-viability-p1 set2 4 1.73241561 1.10044187 4.5353013 6.09779208 7.02667848 7.21527314 9.65656235 6.53069182 2.35703944 1.14355027 2.76986552 2.07409613 0.84899722 1.94927607 0.30737051 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1939-27-1 137264 170466712 A A 3-Trifluoromethylisobutyranilide O=C(Nc1cc(ccc1)C(F)(F)F)C(C)C Tox21_113916 -NCGC00091086-02 196717051 tox21-ror-cho-viability-p1 set2 4 2.03375953 0.57019904 0.6703144 2.66322449 6.4733986 6.37578101 6.23660474 5.02632692 -0.64426853 -0.85984692 3.06417367 2.81960261 1.46354172 2.9699743 -0.40735035 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00168748-02 196717447 tox21-ror-cho-viability-p1 set2 4 0.118832183 5.8986352119 -3.8986352119 2 1.6604358099 0.5684345708 0.1375415834 -7.83219601 -4.58510245 1.11334715 -2.95987055 -4.14811795 -3.87776305 -0.28220561 -2.33697066 2.71155473 2.50236499 4.83117951 1.54398991 1.10397942 -0.62893213 -16.79074171 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 99755-59-6 59227 170465204 A Rotigotine Oc2cccc1C[C@H](CCc12)N(CCC)CCc3cccs3 Tox21_112627_1 -NCGC00241097-03 196717448 tox21-ror-cho-viability-p1 set2 4 -6.86413888 0.19011385 -5.60584986 -4.41166363 -0.53967725 -7.17068313 -7.00603337 0.32581299 -4.24684249 -7.08246422 0.38167582 -4.09876036 -3.2986249 -9.69767256 -13.60727388 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 387867-13-2 3038522 170466826 A Tandutinib CC(C)Oc1ccc(cc1)NC(=O)N2CCN(CC2)c5ncnc4cc(OCCCN3CCCCC3)c(OC)cc45 Tox21_113366_1 -NCGC00167574-03 196717462 tox21-ror-cho-viability-p1 set2 4 -3.56125667 -6.7637419 -3.91377082 -6.72813666 -4.87057795 -4.41468389 -2.80658351 -3.65067733 2.22376487 2.59659696 -0.47238966 0.18878579 1.65230705 1.6183518 -2.49271003 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 90494-79-4 128918 170465603 A Xaliproden hydrochloride Cl.FC(F)(F)c1cccc(c1)C4=CCN(CCc2cc3ccccc3cc2)CC4 Tox21_112567_1 -NCGC00091454-07 196717467 tox21-ror-cho-viability-p1 set2 4 4.25969059 4.11466868 0.1567145 1.69274084 2.37886218 3.16676185 1.67073679 4.37135494 -1.82220748 -0.74079829 -0.37054323 -0.76312558 -2.06221025 2.81322379 -1.13379742 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 108-95-2 996 170465486 F Phenol Oc1ccccc1 Tox21_113463_1 -NCGC00090686-07 196697714 tox21-ror-cho-viability-p1 set1 4 -5.18432305 -2.21197559 0.33383273 -3.83317178 -6.90949734 0.92576076 -4.72182854 -0.00717118 1.53167015 1.03199849 -0.53845122 -4.00092146 0.96949003 -2.76539474 -1.39607813 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00249925-01 196697719 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -9.948567124 0.5 -9.448567124 1.92824246 0.4028607536 0.2730926763 -4.02592894 2.41184574 0.06349187 -1.65353016 -1.38142258 1.98712315 3.79357007 2.20785567 -0.76367166 3.54849051 1.73537569 2.12938564 -2.402844 -1.21828144 -6.20713927 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 180200-68-4 159271 170466033 A F Tilmacoxib Cc2nc(C1CCCCC1)c(o2)c3ccc(c(F)c3)S(N)(=O)=O Tox21_113701 -NCGC00015242-13 196697724 tox21-ror-cho-viability-p1 set1 4 -0.49455571 -0.86008543 -4.25161548 0.04106762 0.83866878 -0.43093351 -0.29948375 -4.52062861 -0.24592189 0.87004937 0.59764242 0.59580522 0.43512461 0.52502347 1.79191494 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-94-6 2720 170465303 A Chlorothiazide NS(=O)(=O)c2cc1c(N=CNS1(=O)=O)cc2Cl Tox21_110107_1 -NCGC00259712-01 196721027 tox21-ror-cho-viability-p1 set3 4 31.1995393382 9.4465831719 -6.9465831719 2.5 3.0654483358 0.5114788767 0.1693795707 -12.03881931 -3.44276025 -10.22437809 -5.68673153 -0.42507627 -7.44639555 -7.90723621 -10.14018026 -9.70591588 -6.48960107 -6.72777846 -5.15199015 -6.43359353 0.70861246 1.96971961 1.198E-9 2.679E-9 5.991E-9 1.34E-8 2.996E-8 6.698E-8 1.4979999999E-7 3.3489999999E-7 7.4889999999E-7 0.000001675 0.000003745 0.000008373 0.000018719999999 0.000041859999999 0.000093609999999 108-19-0 7913 144209361 A Imidodicarbonic diamide NC(=O)NC(N)=O Tox21_202163 -NCGC00253999-01 196720629 tox21-ror-cho-viability-p1 set3 4 0.0037553202 15.473437028 -15.973437028 -0.5 0.7999999999 0.8003798504 0.0080058477 -10.58351053 -12.47786419 -4.77872422 -2.28755754 -6.1822035 -2.89826615 0.49984067 -2.76179608 -0.67952216 0.57306779 -0.27674272 0.78174077 -1.69903128 -1.74553278 0.76155448 1.154E-9 2.5799999999E-9 5.7689999999E-9 1.29E-8 2.884E-8 6.45E-8 1.4419999999E-7 3.225E-7 7.211E-7 0.000001612 0.000003606 0.0000080619999999 0.00001803 0.00004031 0.00009014 57-30-7 23674889 144210591 A A Phenobarbital sodium [Na+].CCC1(C(=O)N=C([O-])NC1=O)c2ccccc2 Tox21_300271 -NCGC00254569-01 196720630 tox21-ror-cho-viability-p1 set3 4 68.5896218971 23.7747818679 -3.2747818679 20.5 4.9549173134 0.5960196212 0.0998746811 -9.30473368 -12.72898489 -4.5168211 -2.23298531 -5.68727987 -2.86194595 -2.50445226 1.04611645 2.55540463 -0.55430198 -2.78600401 -3.43822234 2.89702669 -4.09986406 16.4479435 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1918-00-9 3030 144210978 A A Dicamba COc1c(c(Cl)ccc1Cl)C(=O)O Tox21_300661 -NCGC00254114-01 196720633 tox21-ror-cho-viability-p1 set3 4 7.6958821542 -19.132906356 4.5 -14.632906356 1.287561 0.5950153086 0.1003833496 -0.75040376 -0.15710371 10.44219282 -2.53445197 9.03164725 -1.27089234 7.83756231 17.97423013 0.55155184 -1.60396142 0.52779816 -5.39948656 -11.11026349 -8.92190159 -15.94408863 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51-28-5 1493 144210350 A A 2,4-Dinitrophenol O=[N+]([O-])c1cc(ccc1O)[N+]([O-])=O Tox21_300030 -NCGC00259701-01 196721040 tox21-ror-cho-viability-p1 set3 4 -2.5254166 0.35332468 -0.78529658 -1.0368916 -2.75622479 -5.45577166 -5.65002475 -7.3561803 -1.68294909 2.99815944 2.47762108 -7.81166028 -6.39315695 1.1000124 -8.8834178 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004135 0.00009247 20325-40-0 62311 144209350 C C 3,3'-Dimethoxybenzidine dihydrochloride Cl.Cl.Nc1ccc(cc1OC)c2ccc(N)c(OC)c2 Tox21_202152 -NCGC00259016-01 196721045 tox21-ror-cho-viability-p1 set3 4 -5.23366767 -4.33626415 -0.89702805 5.19157377 -2.70015056 -1.98422619 -4.76567697 -5.63226993 -4.73073072 -2.90251983 -5.77260439 -6.27163813 -4.68063687 3.85483298 1.0796806 1.173E-9 2.622E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.3299999999E-7 0.0000016389999999 0.000003665 0.000008195 0.00001832 0.000040969999999 0.00009162 121-19-7 5104 144208663 A A 4-Hydroxy-3-nitrophenylarsonic acid O=[N+]([O-])c1cc(ccc1O)[As](O)(O)=O Tox21_201465 -NCGC00259925-01 196721047 tox21-ror-cho-viability-p1 set3 -2.2 68.4501412252 -39.0174606087 -6.281458876 -45.2989194847 3.9294729863 0.8841700839 0.00066639 -8.09902742 -2.14463313 -2.17679462 -2.35621144 -7.59155832 -7.48135992 -9.77197904 -7.11231265 -7.36148924 -1.90121573 -9.89039917 -9.08451546 -5.95868296 -10.83841211 -36.21130264 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.3169999999E-8 2.9459999999E-8 6.587E-8 1.4729999999E-7 3.294E-7 7.365E-7 0.0000016469999999 0.0000036819999999 0.000008234 0.000018409999999 0.00004117 0.00009206 61445-50-9 12472902 144209574 A A 2,3',4,4'-Tetrahydroxybenzophenone Oc1ccc(cc1O)C(=O)c2ccc(O)cc2O Tox21_202376 -NCGC00259179-01 196721430 tox21-ror-cho-viability-p1 set3 4 -0.44285861 -0.110599 4.36905783 -8.36063939 -3.03032768 0.29484829 -6.68130153 5.67786482 2.74762616 -6.62303498 -4.11151341 3.93452509 -8.43096896 2.42741547 -1.10371354 1.19E-9 2.661E-9 5.95E-9 1.331E-8 2.975E-8 6.653E-8 1.4879999999E-7 3.326E-7 7.438E-7 0.000001663 0.000003719 0.000008316 0.00001859 0.00004158 0.00009297 616-45-5 12025 144208828 A A 2-Pyrrolidinone O=C1CCCN1 Tox21_201630 -NCGC00259564-01 196721436 tox21-ror-cho-viability-p1 set3 4 -5.44459745 -1.73247361 -5.92974255 2.44019048 -2.45482916 -5.06870313 -3.55384595 -2.08459425 -4.16134336 -0.07015874 -3.7030384 -2.08510519 -4.0673365 2.22820596 3.51268524 1.1679999999E-9 2.612E-9 5.8409999999E-9 1.3059999999E-8 2.92E-8 6.53E-8 1.4599999999E-7 3.265E-7 7.3009999999E-7 0.0000016319999999 0.0000036499999999 0.000008162 0.00001825 0.00004081 0.00009126 592-31-4 11595 144209213 A A N-Butylurea NC(=O)NCCCC Tox21_202015 -NCGC00256381-01 196727376 tox21-ror-cho-viability-p1 set3 4 -1.36920727 -1.55568619 -3.79477191 0 -2.74831832 -7.81022684 -4.54208425 -3.27850762 -1.62400533 -1.61436594 -4.90177881 -1.83541107 -2.2531865 -4.59385501 -6.65009628 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 569-57-3 11289 144213214 A A Chlorotrianisene COc1ccc(cc1)C(\Cl)=C(/c2ccc(OC)cc2)c3ccc(OC)cc3 Tox21_302897 -NCGC00256932-01 196726965 tox21-ror-cho-viability-p1 set3 4 17.2289340586 -17.98678918 0.5 -17.48678918 0.6999999999 0.6296262237 0.0898365675 -1.36438702 1.84830655 0.24178484 1.51099685 2.51964473 2.66264732 -0.32829512 -9.3636503 -1.14783223 -1.06489985 -0.79523846 -8.15599373 -7.11732996 -12.90565765 1.01477402 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3164-85-0 23669619 144213420 A Potassium 2-ethylhexanoate [K+].[O-]C(=O)C(CC)CCCC Tox21_303103 -NCGC00090885-03 196726970 tox21-ror-cho-viability-p1 set3 4 -2.02006737 -2.26917508 -2.12227205 -4.07245379 1.06452708 0.47670765 0.29462987 -2.31933493 4.58001 3.50558554 5.35030063 2.29200429 2.78701351 1.57061263 0.67647304 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00257507-01 196726983 tox21-ror-cho-viability-p1 set3 4 1.2192038 7.33184643 1.48060264 0.17636807 -1.74767746 -1.37532387 0 0 0.44170498 0.56309534 2.87992075 1.37263 0.28972925 3.35565343 5.31500806 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 54464-57-2 108242 144213792 A I 1-(2,3,8,8-Tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone CC(=O)C2(C)CC1=C(CCCC1(C)C)CC2C Tox21_303483 -NCGC00257054-01 196727384 tox21-ror-cho-viability-p1 set3 4 1.45791511 1.56804941 0.23864829 0.66359247 0.15296599 0.75959204 1.26618766 0.1027791 0.43051482 2.43810896 5.13139408 1.45127698 2.00134279 2.02075477 0.77843726 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 615-54-3 12002 144213548 A Ac 1,2,4-Tribromobenzene Brc1cc(Br)c(Br)cc1 Tox21_303231 -NCGC00257178-01 196727387 tox21-ror-cho-viability-p1 set3 4 -0.8865246 -5.50234951 0.88027131 1.50265432 -0.27177173 0.47162231 -0.0860015 -1.0577428 0.26510071 1.84827833 1.23056471 -5.81250297 -7.19363562 -0.71044974 -0.42512651 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 298-07-7 9275 144213404 F A Bis(2-ethylhexyl) phosphate CCCCC(COP(O)(=O)OCC(CC)CCCC)CC Tox21_303087 -NCGC00257180-01 196727396 tox21-ror-cho-viability-p1 set3 4 2.64950423 -0.63571737 0.76130544 1.38967886 1.30258663 -0.26603599 0.89081376 -5.15370384 -1.31525904 3.03781084 0.62920503 0.93297279 -0.09869636 -0.62471537 -3.8938284 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69806-40-2 50896 144213430 A A Haloxyfop-methyl O=C(OC)C(C)Oc1ccc(cc1)Oc2ncc(cc2Cl)C(F)(F)F Tox21_303113 -NCGC00259667-01 196709564 tox21-ror-cho-viability-p1 set2 4 0.24651914 -3.30028137 -0.08520068 -4.46972019 -1.49204164 1.96080386 -1.36944463 -1.8939418 -1.37445266 -1.56454888 2.43811343 -3.19929797 1.92202447 0.15960031 3.05771568 1.198E-9 2.6779999999E-9 5.988E-9 1.339E-8 2.994E-8 6.6949999999E-8 1.497E-7 3.347E-7 7.485E-7 0.0000016739999999 0.000003742 0.000008368 0.00001871 0.00004184 0.000093559999999 16672-87-0 27982 144209316 A A Ethephon ClCCP(=O)(O)O Tox21_202118 -NCGC00259866-01 196709565 tox21-ror-cho-viability-p1 set2 4 2.83462963 3.59617574 2.33085958 4.17370918 1.87386226 0.5735261 -0.04963636 3.29776236 -1.01729105 0.76942881 2.54250618 6.78308294 0.86396277 -0.05802373 0.84558018 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-80-9 289 144209515 A A Catechol Oc1ccccc1O Tox21_202317 -NCGC00259511-01 196709580 tox21-ror-cho-viability-p1 set2 4 -1.11651656 -0.56787422 -3.76196878 -3.19471053 1.1408439 -4.11524068 0.86781944 0.30018052 0.84307443 2.08238065 0.72486061 -0.43088092 -0.22245619 1.17009205 0.485786 1.224E-9 2.738E-9 6.1219999999E-9 1.369E-8 3.0609999999E-8 6.844E-8 1.5299999999E-7 3.422E-7 7.652E-7 0.000001711 0.000003826 0.0000085559999999 0.000019129999999 0.00004278 0.00009565 759-94-4 12968 144209160 A A EPTC CCCN(CCC)C(=O)SCC Tox21_201962 -NCGC00263525-01 196705016 tox21-ror-cho-viability-p1 set1 -1.2 3.7578035763 -31.6559605312 -2 -33.6559605312 2.7202212143 0.9697431796 5.101E-7 -0.65611748 -0.91691561 -4.47683037 -2.18890331 -0.26555734 -2.72655204 1.04178243 -5.63730071 -2.35387203 -1.50138608 -5.02767721 -20.33377893 -28.98966445 -38.18329222 -30.90623672 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 93957-55-2 23663976 170465409 A Fluvastatin sodium [Na+].[O-]C(=O)C[C@H](O)C[C@H](O)/C=C/c2c(c1ccccc1n2C(C)C)c3ccc(F)cc3 Tox21_112226_1 -NCGC00090962-05 196704612 tox21-ror-cho-viability-p1 set1 4 60.7577547203 -21.4825444 -1.5 -22.9825444 2.2526478767 0.6514873409 0.0634983226 -4.63086263 -4.40085865 0.68954151 0.92889328 -4.90805428 -7.67903654 0.17903575 4.29729117 0.13995666 -2.956413 1.06899002 -0.43736728 -4.4486303 -7.4440007 -17.068787 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00091643-08 196704618 tox21-ror-cho-viability-p1 set1 4 15.3553036427 -13.103326888 6.5 -6.603326888 0.2 0.4042721058 0.2710771921 3.53779204 9.31697718 3.10286678 2.04287577 1.74633798 0.1644194 5.83481945 3.54993498 2.26379595 1.07783228 -1.50648056 3.51273446 1.14018942 -3.83610574 -0.53669642 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00274082-01 196704620 tox21-ror-cho-viability-p1 set1 4 0.0237101377 -2.8950237159 2.5 -0.3950237159 4.9549173134 0.4117094281 0.2837748581 6.00616269 -0.07891745 0.09476371 2.94317413 4.05945818 -0.75635123 0.51958255 -0.76848049 0.1843784 0.22993756 -4.07918643 -0.76104606 -0.05132889 0.41800231 5.07152148 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 151-21-3 3423265 170465474 F Sodium dodecyl sulfate [Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC Tox21_111059_1 -NCGC00164568-04 196705024 tox21-ror-cho-viability-p1 set1 4 -0.88449986 1.4213834 7.01251441 -0.14110715 0.91300693 1.06868481 -0.70898213 6.03964438 5.79945625 1.26247777 -0.00818331 -1.54944454 0.76108589 1.21197397 1.3351545 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 151767-02-1 23663996 170465230 Ac Montelukast sodium [Na+].CC(C)(O)c5ccccc5CC[C@@H](SCC1(CC([O-])=O)CC1)c2cccc(c2)/C=C/c3ccc4ccc(Cl)cc4n3 Tox21_112197_1 -NCGC00091830-04 196705025 tox21-ror-cho-viability-p1 set1 4 0.75135992 -0.22048448 3.5819289 -0.82965183 3.65832529 0.29405373 4.60757753 6.49116624 1.55377404 0.68450109 1.58710609 3.30168159 0.65818975 1.7976621 -0.32165414 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00241108-04 196705033 tox21-ror-cho-viability-p1 set1 -2.4 33.4914596268 -26.907537464 0.5 -26.407537464 4.9549173134 0.9260398863 0.0000692109 1.6142594 0.17960723 2.99067414 0.74362171 -1.17554476 2.53757354 -1.10483794 2.95456418 -1.62038151 -2.52853922 0.45681161 1.26434251 0.82683982 -2.26482071 -22.00628122 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 319460-85-0 6450551 170466656 I Axitinib CNC(=O)c4ccccc4Sc1ccc3c(c1)nnc3/C=C/c2ccccn2 Tox21_113597_1 -NCGC00161414-03 196705432 tox21-ror-cho-viability-p1 set1 4 1.75328903 1.32513296 -3.21068641 2.54217269 1.67422544 1.30181642 -1.67139473 2.19978638 -6.04990474 -1.96185559 0.71996595 2.3290971 5.59004373 -1.57157073 1.56390424 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 89565-68-4 656665 170466432 A Tropisetron CN4[C@H]1CC[C@@H]4CC(C1)OC(=O)c3cnc2ccccc23 Tox21_110272_1 -NCGC00253629-01 196705442 tox21-ror-cho-viability-p1 set1 4 7.21957528 1.57830594 0.33363594 2.82923898 0.10271494 4.2621814 1.20775438 3.72507846 2.56234057 3.27113608 0.99517751 0.93740875 3.42624767 6.85774014 3.88120257 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 41340-36-7 198231 170466701 A A 7-Ethyltryptophol CCc2cccc1c2ncc1CCO Tox21_113757 -NCGC00091351-03 196705448 tox21-ror-cho-viability-p1 set1 4 0.19706178 2.18154999 1.97026405 -0.5349858 -0.62376078 -3.05494641 -2.62610628 0.44046506 0.02952688 3.69550473 6.40751118 1.71289491 2.05396597 1.47365444 4.6171869 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00015806-06 196698219 tox21-ror-cho-viability-p1 set1 4 2.15278829 4.2424917 3.00554118 2.9018133 1.00217798 3.09942809 2.74798502 4.55294454 -0.43836562 0.0816154 4.14739607 8.36691903 0.12230178 4.1942448 0.68251402 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53179-13-8 40632 170465606 A Pirfenidone CC2=CN(c1ccccc1)C(=O)C=C2 Tox21_110225_1 -NCGC00092366-03 196698223 tox21-ror-cho-viability-p1 set1 4 -0.16630446 -1.53034786 0.54761077 -0.42952686 -77.09857749 0.99739618 1.21403276 -1.76195431 -0.67623684 -0.2216549 0.43904527 -1.91731276 1.32298593 -0.32178883 0.37420666 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 150375-75-0 60196272 170466643 A Relcovaptan NC(=O)[C@H]1CCCN1C(=O)[C@H]3N(c2ccc(Cl)cc2[C@@]3(O)c4ccccc4Cl)S(=O)(=O)c5cc(OC)c(OC)cc5 Tox21_111198_1 -NCGC00016034-05 196698209 tox21-ror-cho-viability-p1 set1 4 -5.09601067 -1.4542093 -2.98519546 -2.73271663 -4.02115199 -5.4255469 -3.20072723 -7.93570789 -4.45691353 -6.66410834 -3.01351827 -4.71787346 1.0220888 -6.93003637 0.01220127 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56776-01-3 5702285 170465781 A Tulobuterol hydrochloride Cl.OC(CNC(C)(C)C)c1ccccc1Cl Tox21_111277_1 -NCGC00021876-04 196698214 tox21-ror-cho-viability-p1 set1 4 0.0011883218 11.4341485359 -10.9341485359 0.5 0.3 0.3773800876 0.297197332 -4.24293545 -9.94512378 -2.43015359 -0.11169879 -6.55947652 1.29293212 -3.03635253 -2.90159448 -1.77645549 -0.22577588 -1.55654498 -2.00804213 -0.55030118 2.12566958 -0.39012803 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 115-02-6 5284344 170466537 F Azaserine OC(=O)[C@@H](N)COC(=O)/C=[N+]=[N-] Tox21_110833_1 -NCGC00017326-05 196698636 tox21-ror-cho-viability-p1 set1 4 0.37842876 8.00121239 5.99770353 2.45420275 0.55783476 5.74507368 0.37200744 -0.34965542 2.6566943 4.52114371 3.37893195 3.24004947 0.07269473 3.22797295 4.829296 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 29617-43-4 656743 170465706 A (1S,9R)-beta-Hydrastine CN2CCc1cc5OCOc5cc1[C@H]2[C@@H]4OC(=O)c3c(OC)c(ccc34)OC Tox21_110815_1 -NCGC00094087-05 196698637 tox21-ror-cho-viability-p1 set1 4 -6.68811273 -0.93748213 -6.42600687 -11.89718776 -4.31384684 -6.34200325 -2.31752903 -0.83731794 -9.7651854 -3.88067264 -7.68595027 -5.29457029 -1.39631019 -2.21834964 -5.35202585 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50924-49-7 104762 170466027 F Mizoribine NC(=O)c2ncn([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c2O Tox21_111242_1 -NCGC00254399-01 196699035 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -20.001309744 1 -19.001309744 4.9549173134 0.8384239306 0.0031905672 3.73465765 3.70137938 0.45846969 -1.71325086 -0.52249097 2.73961754 -0.14252884 1.44202079 1.32144274 -0.23612125 -1.45327872 0.11009816 4.18268204 0.23516579 -15.41775812 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 208-96-8 9161 144210904 B Ac Acenaphthylene c1cc2cccc3C=Cc(c1)c23 Tox21_300587 -NCGC00254473-01 196699036 tox21-ror-cho-viability-p1 set1 4 1.31581711 1.98667031 3.62103234 -0.02033714 -2.41164297 -1.85773988 3.80114383 -4.66583934 0.51569093 1.64096894 1.09793422 1.44584123 1.60824137 2.91552506 0.1061676 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-23-1 7641 144210881 A F Di(2-ethylhexyl) adipate O=C(CCCCC(=O)OCC(CC)CCCC)OCC(CCCC)CC Tox21_300564 -NCGC00254833-01 196699039 tox21-ror-cho-viability-p1 set1 4 -3.65981672 -1.94699718 -0.60002168 0.2361282 -6.45480914 0.6361771 -0.6844551 0.91373327 -2.51096242 -2.8407449 -0.45159664 -2.99048405 -1.77726483 -1.13236415 0.5948554 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6485-40-1 439570 144211248 A R-(-)-Carvone CC1=CC[C@H](CC1=O)C(C)=C Tox21_300931 -NCGC00090773-04 196699454 tox21-ror-cho-viability-p1 set1 4 -5.98736202 -4.99820753 -3.76777651 -5.36960258 -2.30946654 -7.15448026 0.14595907 -3.16110077 -0.23699914 -4.07333091 -3.39057605 -1.72176548 -2.21402464 -3.30525515 1.08334995 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00164168-02 196699455 tox21-ror-cho-viability-p1 set1 4 1.69041348 0.0439096 -7.45170283 -0.67250029 2.14459963 1.57196937 1.55714885 0.79507874 1.42399425 1.03266924 -4.98080376 0.40907647 -6.87846722 1.44338348 2.57488947 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00253919-01 196699456 tox21-ror-cho-viability-p1 set1 4 -2.55802221 -1.53223035 -7.78557131 -0.38999564 1.46293478 -1.44616881 -4.296039 -2.22452535 -1.80866945 -1.25110879 -3.67921721 -0.30174659 -1.72748743 2.19099693 -1.19184538 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-92-6 264 144210484 A A Butanoic acid CCCC(=O)O Tox21_300164 -NCGC00254254-01 196699461 tox21-ror-cho-viability-p1 set1 4 -1.8819538 -0.02026901 -1.37955269 -0.96923925 0.98344748 -0.34177505 -1.00603977 -3.08877763 -1.74822516 -1.12723327 1.11280268 1.83712352 0.79818755 -0.92924315 -0.98896164 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 91082-17-6 20478723 144210649 C C10-21 alkanesulfonic acids phenyl esters O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC Tox21_300331 -NCGC00254046-01 196720701 tox21-ror-cho-viability-p1 set3 4 0.5709702435 5.8117266119 -5.3117266119 0.5 4.9549173134 0.4016296424 0.2713366701 -5.12889782 -1.32630787 -13.59310551 -1.53593799 -1.74439498 -10.9319865 -0.43417703 -5.94897375 -0.43668551 0.77545019 -0.27253242 0.62979439 1.1426829 -0.7251585 2.34175679 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 118-71-8 8369 144210438 A A Maltol CC=1OC=CC(=O)C=1O Tox21_300118 -NCGC00247692-01 196723063 tox21-ror-cho-viability-p1 set3 4 0.0451704141 14.5287934639 -1.5287934639 13 2.2526478767 0.563929722 0.1240786807 0.28473615 -2.94066122 1.4785139 -2.16068185 -0.70178237 16.14083176 4.06130137 18.38615775 14.35769546 15.54464395 0.53703539 7.22872618 13.24130069 17.44050833 19.12008323 1.346E-9 3.01E-9 6.73E-9 1.505E-8 3.365E-8 7.5249999999E-8 1.683E-7 3.7619999999E-7 8.413E-7 0.0000018809999999 0.000004206 0.000009406 0.00002103 0.00004703 0.0001052 60676-84-8 118031 144206395 A A 1-(7-Methoxy-1,3-benzodioxol-5-yl)propan-2-amine hydrochloride Cl.CC(N)Cc1cc2OCOc2c(c1)OC Tox21_112842 -NCGC00018291-03 196723066 tox21-ror-cho-viability-p1 set3 4 1.1883218301 18.9672046799 -7.9672046799 11 3.9294729863 0.663910281 0.0560173292 5.88937117 -10.65669713 -6.16774591 -8.28507183 -11.95680276 -20.8060039 -9.04149256 -8.02124076 -1.01106872 -8.49108989 14.12124883 12.37869509 10.24535584 14.20376911 2.81149224 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72332-33-3 688561 170465820 A Procaterol CC(C)N[C@@H](CC)[C@H](O)c2ccc(O)c1NC(=O)C=Cc12 Tox21_110941_1 -NCGC00259530-01 196722243 tox21-ror-cho-viability-p1 set3 -3 68.3804186691 -71.9506110332 -0.870561383 -72.8211724162 4.9549173134 0.9851565215 8.4E-9 -1.37403652 -1.92426797 -3.13560607 4.32373096 -0.63290479 -1.66658538 -1.07610772 -2.36678863 -0.70172662 1.13052674 -1.02252368 -1.93574325 -2.61078353 -4.4060592 -59.38188287 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.0000016459999999 0.00000368 0.000008228 0.000018399999999 0.000041139999999 0.000091989999999 79-94-7 6618 144209179 A A 3,3',5,5'-Tetrabromobisphenol A Brc1cc(cc(Br)c1O)C(C)(C)c2cc(Br)c(O)c(Br)c2 Tox21_201981 -NCGC00091468-02 196722649 tox21-ror-cho-viability-p1 set3 4 0.621889151 -12.235633436 5 -7.235633436 4.9549173134 0.5415266286 0.1423003815 -4.66837869 8.67519599 5.44442942 -1.07637904 9.5635394 12.16516661 -2.57502627 13.14645832 -4.6768403 -9.653737 -9.26551739 -13.52969453 -5.46654608 -0.60595649 -5.14211291 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00159404-04 196723067 tox21-ror-cho-viability-p1 set3 4 33.4914596268 32.071813248 1.928186752 34 2.8472712143 0.6343137373 0.0736735234 -2.90744579 7.19086661 1.33394255 5.25458157 -4.09235171 7.9095016 6.82055092 5.13124744 2.53154897 -6.72651104 5.13829718 -4.08164137 5.59502472 8.04681345 25.47109405 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4065-45-6 19988 170465489 A Sulisobenzone OS(=O)(=O)c1cc(c(O)cc1OC)C(=O)c2ccccc2 Tox21_111639_1 -NCGC00159447-07 196723068 tox21-ror-cho-viability-p1 set3 4 4.82713075 -2.51334891 2.00585237 5.78825885 -0.52161693 13.07291638 14.82387747 -3.99631925 -11.50269426 9.28678542 -12.12697971 10.90804933 13.22592771 -7.34378777 -5.86112814 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2439-07-8 142766 170465482 F 8-Quinolinol Salicylic acid (1:1) O=C(O)c1ccccc1O.Oc1cccc2cccnc12 Tox21_110005_1 -NCGC00016089-06 196723071 tox21-ror-cho-viability-p1 set3 4 5.49152622 6.80526349 5.44525641 7.99019085 -1.76945339 2.56603511 5.51391589 -1.89012867 -0.51386109 6.08731396 9.88179869 8.82432257 11.03709196 5.27848534 11.53908127 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2444-46-4 2998 170466476 A Nonivamide Oc1ccc(cc1OC)CNC(=O)CCCCCCCC Tox21_110302_1 -NCGC00262960-01 196723072 tox21-ror-cho-viability-p1 set3 4 0.22115151 4.28481621 -0.98229155 3.83898054 2.47096103 0.18931724 1.12187825 -1.02398227 -2.70156115 9.36676393 -2.5433461 2.02215558 -1.30786577 1.05843503 -2.18958503 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 76738-96-0 20055397 170466824 A A Resocortol butyrate CCC(=O)[C@@]4(OC(=O)CCC)CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_113951 -NCGC00263544-01 196723075 tox21-ror-cho-viability-p1 set3 4 0.2371013766 -3.8436865879 0 -3.8436865879 4.9549173134 0.3484549584 0.3242392453 -2.18507154 0.30107808 2.45897127 2.64463097 -3.0423799 0.31715034 -0.14246976 0.68297519 -4.90703526 -6.18890716 -7.78640549 -5.40082361 0.9406079 1.36421808 -4.54275622 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 24584-09-6 71384 170464709 A Dexrazoxane hydrochloride O=C2CN(C[C@H](C)N1CC(=O)NC(=O)C1)CC(=O)N2 Tox21_112256_1 -NCGC00178376-05 196723078 tox21-ror-cho-viability-p1 set3 4 0.1059092946 -11.8026659039 5.5 -6.3026659039 4.9549173134 0.4995402604 0.1785929892 16.46886557 -1.31162929 4.75821968 0.65270441 -0.93142947 12.23759819 3.51046416 -5.34730338 -3.86410032 -9.25058923 -7.7290386 5.62162599 -8.59607921 -12.33555492 -8.73202085 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-40-5 5338 170465653 A Sulfaquinoxaline Nc1ccc(cc1)S(=O)(=O)Nc2cnc3ccccc3n2 Tox21_110027_1 -NCGC00014361-08 196723473 tox21-ror-cho-viability-p1 set3 2.4 42.1632496022 36.3628759201 3.6371240799 40 0.8999999999 0.6676929723 0.0540764539 4.86584119 5.37609274 1.0375483 1.88548833 11.62055884 2.11765927 -0.3023966 1.23463662 10.91001649 5.14340002 7.70567187 7.74150406 5.89604051 11.56687398 30.25829955 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4408-78-0 546 170466274 Z Phosphonoacetic acid O=C(O)CP(=O)(O)O Tox21_110045_1 -NCGC00256347-01 196719407 tox21-ror-cho-viability-p1 set2 -1.1 27.3060203028 -76.1949228368 -5.5680996139 -81.7630224507 3.0654483358 0.9865958924 4.6E-9 -8.83184846 -1.16195139 -4.38448271 -4.08691272 -5.51528004 -9.13345751 -5.82690427 -1.06670483 -9.97729044 -3.63050842 -5.73061049 -10.95348615 -22.18578095 -66.06931655 -78.94724301 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 119-47-1 8398 144213240 A A 2,2'-Methylenebis(4-methyl-6-tert-butylphenol) CC(C)(C)c2cc(C)cc(Cc1cc(C)cc(c1O)C(C)(C)C)c2O Tox21_302923 -NCGC00255248-01 196729061 tox21-ror-cho-viability-p1 set3 4 0.7695882154 5.9051382479 -0.9051382479 5 4.9549173134 0.3206334802 0.3638412869 1.81458284 1.03641986 2.60487989 -12.42094854 -1.31936453 -1.0947242 2.52201509 -0.75024023 0.94017703 10.01061012 6.70725734 0.61684143 3.29251431 3.88232344 -3.51322516 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66346-01-8 94617 144212305 A Ac 1-(4-Chlorophenyl)-4,4-dimethyl-pentan-3-one Clc1ccc(CCC(=O)C(C)(C)C)cc1 Tox21_301988 -NCGC00255343-01 196729043 tox21-ror-cho-viability-p1 set3 4 1.94643271 8.96907859 11.93695685 9.02696585 9.07345337 6.56224257 -5.86726343 6.55763993 2.45904753 5.38840711 -7.53928789 11.52968436 8.47981504 -3.35216569 4.81835569 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-14-1 3516 144212411 A A Guaifenesin OCC(O)COc1ccccc1OC Tox21_302094 -NCGC00255712-01 196729055 tox21-ror-cho-viability-p1 set3 4 0.0024336516 15.74451196 -10.24451196 5.5 1.8079476909 0.6617651488 0.0688541257 -7.2870933 -1.49216846 3.74882616 3.30858757 3.89434842 2.16888617 4.81614724 3.54017939 5.95653997 10.29591906 4.9379833 5.99736861 10.68263374 1.29045275 -0.99472634 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-07-9 6515 144211691 F Ethyltriethoxysilane CCO[Si](OCC)(OCC)CC Tox21_301374 -NCGC00258669-01 196729464 tox21-ror-cho-viability-p1 set3 4 0.01764005 0.83072822 -0.4275663 -4.55013206 -3.59252164 -0.05661365 0.09693206 0.68457495 0.96072304 -0.17565816 -0.43171395 -2.41610932 -1.21700196 -0.37667655 3.36665229 1.144E-9 2.5579999999E-9 5.72E-9 1.2789999999E-8 2.8599999999E-8 6.395E-8 1.4299999999E-7 3.1979999999E-7 7.1499999999E-7 0.0000015989999999 0.000003575 0.000007994 0.000017879999999 0.00003997 0.000089379999999 1663-39-4 15458 144208315 FNS tert-Butyl acrylate C=CC(=O)OC(C)(C)C Tox21_201117 -NCGC00258018-01 196729468 tox21-ror-cho-viability-p1 set3 4 -4.49845018 -4.1185823 -5.12803452 -3.51770235 -0.30790526 -0.28084045 -6.70793219 -4.31925118 0.77013367 0.62666141 0.41317785 -0.48468207 0.207212 -0.47381704 0.97466598 1.193E-9 2.6689999999E-9 5.967E-9 1.3339999999E-8 2.9839999999E-8 6.671E-8 1.4919999999E-7 3.3359999999E-7 7.4589999999E-7 0.000001668 0.0000037289999999 0.000008339 0.00001865 0.0000417 0.00009324 22984-54-9 9568808 144207662 D 2-Butanone, O,O',O''-(methylsilylidyne)trioxime CCC(\C)=N\O[Si](C)(O\N=C(/C)CC)O\N=C(/C)CC Tox21_200464 -NCGC00257771-01 196729884 tox21-ror-cho-viability-p1 set3 4 8.8372827984 7.2681126039 -3.7681126039 3.5 1.24751 0.6276711566 0.0792687366 -4.89735226 -5.75312415 -0.81525427 -1.33195445 -4.09999511 -3.81635169 -2.16609234 -5.45680552 -7.72342717 -2.66426033 0.52377323 -0.95509196 1.6632656 0.79839451 4.56431082 1.203E-9 2.69E-9 6.015E-9 1.345E-8 3.0079999999E-8 6.725E-8 1.504E-7 3.3629999999E-7 7.519E-7 0.0000016809999999 0.000003759 0.000008406 0.0000188 0.00004203 0.000093989999999 140-29-4 8794 144207415 A A Benzyl cyanide N#CCc1ccccc1 Tox21_200217 -NCGC00258014-01 196729896 tox21-ror-cho-viability-p1 set3 4 0.0015652475 13.219315704 -13.719315704 -0.5 0.8999999999 0.4062436926 0.2682150235 -9.76609642 -1.53407105 -5.25382086 -4.93233295 -0.14465452 0.07806103 0.14209946 0.59625379 -5.10121762 1.48230578 -5.02275441 1.43177486 -2.91088371 0.09467321 3.2383511 1.1989999999E-9 2.6809999999E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.701E-8 1.4979999999E-7 3.351E-7 7.492E-7 0.000001675 0.000003746 0.000008377 0.00001873 0.00004188 0.00009365 4767-03-7 78501 144207658 B B 3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid O=C(O)C(C)(CO)CO Tox21_200460 -NCGC00257830-01 196730292 tox21-ror-cho-viability-p1 set3 4 13.19977669 7.101775336 -1.101775336 6 3.9899729863 0.5601638164 0.1452730461 -3.82192195 -1.50522801 -0.62779716 -0.48012756 -0.43611644 -1.65539465 -0.95468959 1.70727553 0.35704839 1.65715035 -3.2843331 -3.83481278 6.61820374 4.45807278 -2.66979692 1.1449999999E-9 2.56E-9 5.724E-9 1.28E-8 2.8619999999E-8 6.399E-8 1.431E-7 3.2E-7 7.155E-7 0.0000016 0.000003577 0.0000079989999999 0.00001789 0.000039999999999 0.00008943 106-89-8 7835 144207474 AC A Epichlorohydrin ClCC1CO1 Tox21_200276 -NCGC00258106-01 196730300 tox21-ror-cho-viability-p1 set3 4 -5.76814499 -5.77953738 -2.5925921 -4.71964341 -17.56774606 -5.40983601 -4.10753213 -17.4465057 -4.82086999 -5.95134078 -4.31658002 -1.16549685 -4.05759909 -1.99036152 1.94835927 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.00009231 321746-49-0 16211135 144207750 A A Triethylsulfonium bis(trifluoromethanesulfonyl)imide FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.CC[S+](CC)CC Tox21_200552 -NCGC00259787-01 196706698 tox21-ror-cho-viability-p1 set1 4 0.0054538084 16.25091284 -18.25091284 -2 0.4 0.4276159552 0.2461627045 -10.85596512 -7.98940244 -16.8757607 -12.58204851 -2.61815368 -4.47701424 -1.3147988 -4.60211799 -2.63622517 -8.96855507 -9.26368057 -1.6965624 -1.92146311 0.13699743 -2.07404179 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.0000036909999999 0.000008252 0.000018449999999 0.000041259999999 0.00009226 109-16-0 7979 144209436 A A Triethylene glycol dimethacrylate O=C(OCCOCCOCCOC(=O)C(=C)C)C(=C)C Tox21_202238 -NCGC00259837-01 196706262 tox21-ror-cho-viability-p1 set1 4 9.6983951998 -16.60150892 0 -16.60150892 3.9294729863 0.8834406057 0.0006883145 -2.08546143 0.8909307 -1.03185065 -2.04963159 -1.5647478 -1.91363234 0.51381243 -0.94484509 0.9054477 6.46929337 -1.4227384 -5.66086755 -18.4179241 -13.44533886 -17.15084578 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.00009229 131-55-5 8571 144209486 A A 2,2',4,4'-Tetrahydroxybenzophenone O=C(c1ccc(O)cc1O)c2ccc(O)cc2O Tox21_202288 -NCGC00259533-01 196706687 tox21-ror-cho-viability-p1 set1 4 -0.16066985 1.99279343 -0.29762918 3.80575454 1.95447649 3.03625299 -0.25743293 1.08598633 0.32980676 11.2576159 -0.29937408 -7.94157133 0.74125803 1.38186262 2.39363123 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 91-23-6 7048 144209182 A A 1-Methoxy-2-nitrobenzene COc1ccccc1[N+]([O-])=O Tox21_201984 -NCGC00259398-01 196706693 tox21-ror-cho-viability-p1 set1 4 77.1936708215 13.3759524599 -3.3759524599 10 4.9549173134 0.333673225 0.3367607108 -9.63867845 -0.78325118 0.94086497 -3.32801245 -5.90623026 -0.45102306 -2.16475869 -2.30603653 3.10475366 -0.60685742 -9.89662705 -3.29682911 -3.65528954 -5.94696817 7.04203719 1.183E-9 2.645E-9 5.913E-9 1.322E-8 2.9569999999E-8 6.611E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.0000082639999999 0.00001848 0.00004132 0.0000924 123-77-3 31269 144209047 A Azodicarbonamide NC(=O)/N=N/C(N)=O Tox21_201849 -NCGC00259744-01 196706699 tox21-ror-cho-viability-p1 set1 4 7.8055802336 9.936764264 -8.436764264 1.5 4.9549173134 0.5771005317 0.1142081697 -10.3401179 -4.56367597 -10.0988378 -14.11397022 0.77410006 -11.18125059 -5.31913714 -9.13114667 -7.54706361 -10.06689246 -13.2903127 -2.42929501 2.50705276 0.7835346 1.30241413 1.194E-9 2.67E-9 5.9699999999E-9 1.335E-8 2.985E-8 6.675E-8 1.493E-7 3.337E-7 7.463E-7 0.000001669 0.0000037309999999 0.0000083439999999 0.00001866 0.00004172 0.00009329 139-13-9 8758 144209393 A A Nitrilotriacetic acid OC(=O)CN(CC(=O)O)CC(=O)O Tox21_202195 -NCGC00258893-01 196706700 tox21-ror-cho-viability-p1 set1 4 0.6106840346 8.5793093439 -5.5793093439 3 0.9999999999 0.5710733941 0.1192713201 -7.86002645 0.13751331 -4.9453828 -10.06609112 -1.29328965 -7.69434325 -4.8671925 1.11087422 -2.83604141 0 1.84115802 3.53735441 0.84115093 6.13426968 0.16530746 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.000008236 0.00001842 0.000041179999999 0.00009208 60-56-0 1349907 144208539 A A Methimazole S=C1NC=CN1C Tox21_201341 -NCGC00257395-01 196707098 tox21-ror-cho-viability-p1 set1 4 7.6958821542 -6.3916658679 1 -5.3916658679 2.3331733767 0.6569274758 0.0613787005 2.65852666 3.21843434 0.02666397 -2.90182398 -0.34185916 2.44669565 1.57527966 0.33745868 0.73389017 0.62495253 -1.38618997 -0.8607146 -6.99305489 -5.90318421 -3.25294286 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131-55-5 8571 144213944 A A 2,2',4,4'-Tetrahydroxybenzophenone O=C(c1ccc(O)cc1O)c2ccc(O)cc2O Tox21_303639 -NCGC00257279-01 196707515 tox21-ror-cho-viability-p1 set1 4 43.2771256911 -31.80084114 -5.94192244 -37.74276358 0.7999999999 0.5639847291 0.1241101318 -1.72856506 -1.6182687 -8.66840431 -1.7712824 -13.8796798 -14.34479691 -8.74348702 -17.34601402 -10.18344658 -3.76629036 -8.27835204 -11.71718739 -14.04995335 -21.86255857 -28.11896965 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1085-12-7 14138 144213768 A A Heptylparaben Oc1ccc(cc1)C(=O)OCCCCCCC Tox21_303458 -NCGC00257121-01 196707526 tox21-ror-cho-viability-p1 set1 -2.4 38.5315576806 -26.6249666799 1.5 -25.1249666799 2.4063783767 0.9113400972 0.0001762123 3.18359636 0.78449255 0.09349778 3.94774538 -1.54610259 1.20367978 3.54342832 0.96991703 0.21408859 1.70825666 -0.98910894 -0.81014145 2.28297185 -15.13634904 -21.3541389 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 1330-61-6 14899 144213402 Z F Isodecyl acrylate C=CC(=O)OCCCCCCCC(C)C Tox21_303085 -NCGC00091602-02 196702152 tox21-ror-cho-viability-p1 set1 4 1.64230527 -1.77555468 2.51442781 2.34490011 0.75621887 0.0757221 2.94488855 1.27976344 5.98851029 3.9359714 2.1095892 3.20267623 1.23267238 -0.05092192 2.48659276 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00090721-03 196701732 tox21-ror-cho-viability-p1 set1 4 -2.72627215 2.50977806 3.73417247 4.744311 4.71157496 1.41243637 5.87997707 3.15312791 5.70782367 2.07297178 1.94902058 5.22770629 6.84311597 -2.24276406 1.91420839 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00091839-03 196702140 tox21-ror-cho-viability-p1 set1 4 0.19421828 -0.21105649 -0.45301063 -5.40385929 1.37222066 -0.93168468 -0.48955216 0.63264045 -7.77595851 -0.23573563 1.24412194 -7.41392398 -0.74773745 -0.51256245 -11.62210901 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00254080-01 196699886 tox21-ror-cho-viability-p1 set1 4 1.23160525 2.61133253 1.59981125 -1.30725594 2.79413903 -1.41793802 -1.07964722 1.10368642 2.11849255 2.81996945 3.36196028 1.93970228 4.9664126 0.01897718 3.95775416 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-69-3 8128 144210346 A A Hexanedinitrile N#CCCCCC#N Tox21_300026 -NCGC00091163-03 196699879 tox21-ror-cho-viability-p1 set1 4 1.52287879 -0.52942972 -3.6127051 -3.55328531 -0.51953466 0.62515166 -3.74613427 -7.4868427 1.2406002 1.00522062 -0.69142733 -0.19832988 -0.04901819 -6.85803784 5.6367222 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00255600-01 196700285 tox21-ror-cho-viability-p1 set1 4 2.88427684 2.53340415 -1.25518494 3.29388668 1.96611694 -1.39256875 -0.1471933 2.95311086 1.84959817 -1.61097984 -1.62817803 2.35987637 2.58214378 9.93925489 2.69789469 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-88-8 23665772 144211872 Ac 7-Ethyl-2-methyl-4-undecanolsulfate, sodium salt [Na+].CC(C)CC(CCC(CCCC)CC)OS([O-])(=O)=O Tox21_301555 -NCGC00255229-01 196700291 tox21-ror-cho-viability-p1 set1 4 6.1130564862 -6.00448788 2 -4.00448788 4.9549173134 0.5487091394 0.1383679743 -0.57842253 1.21835477 0.75266294 0.33077075 5.11833202 0.55824515 1.35590948 0.31024103 5.14180725 0.13604953 5.6478568 -4.18305933 -1.48349161 -3.03822118 -6.2537399 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52-01-7 5833 144212471 F A Spironolactone CC(=O)S[C@@H]4CC1=CC(=O)CC[C@]1(C)[C@H]5CC[C@@]3(C)[C@@H](CC[C@]23CCC(=O)O2)[C@H]45 Tox21_302154 -NCGC00256289-01 196700306 tox21-ror-cho-viability-p1 set1 -2.1 60.7577547203 -96.4629764006 -0.719255321 -97.1822317216 3.6272481694 0.9955466253 0 -2.08591067 -1.14697406 -0.79232229 0.28314145 -0.63579531 2.50904433 -0.12061234 -0.75325261 -3.55752681 -0.25998428 -1.81334758 -1.20491606 -3.5532032 -18.87402857 -79.68350888 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 54527-84-3 41114 144212149 A A Nicardipine hydrochloride Cl.CC=2NC(C)=C(C(C=2C(=O)OCCN(C)Cc1ccccc1)c3cccc(c3)[N+]([O-])=O)C(=O)OC Tox21_301832 -NCGC00255572-01 196700701 tox21-ror-cho-viability-p1 set1 4 -2.34375985 1.37707032 -2.29574171 1.89748065 -0.79126586 -4.657398 3.76621199 -8.86945895 3.51995492 -2.45478273 3.59548669 -2.67805425 2.10901418 0.05551824 7.19060351 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-31-4 2735107 144211644 A Sodium octyl sulfate [Na+].[O-]S(=O)(=O)OCCCCCCCC Tox21_301327 -NCGC00255708-01 196700704 tox21-ror-cho-viability-p1 set1 4 -3.23890475 -0.95240887 -4.1108261 -3.83134712 -3.16418163 -0.73047853 4.51605127 -5.14226251 -5.5797543 0.16907368 -1.28497605 -0.8545809 0.36728981 -0.74118483 0.02810912 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-60-7 7151 144212355 A A Methyl nicotinate COC(=O)c1cccnc1 Tox21_302038 -NCGC00255352-01 196700707 tox21-ror-cho-viability-p1 set1 4 48.5577336745 -14.794815796 0.5 -14.294815796 2.3331733767 0.8389311612 0.0031700854 -0.48714299 0.65414062 0.80013379 2.10089057 -0.66066421 -3.33834493 0.59223314 1.32603243 0.37788515 2.98993213 2.52160275 1.16139085 -0.58208335 -6.00914639 -11.49567983 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-18-8 7180 144212647 A A Benzylparaben Oc1ccc(cc1)C(=O)OCc2ccccc2 Tox21_302330 -NCGC00164127-03 196721502 tox21-ror-cho-viability-p1 set3 -2.2 30.6378586933 -49.0716064627 -2.992431823 -52.0640382857 2.3331733767 0.9544019824 0.0000050686 -6.20268796 -0.71786054 -0.01127527 3.88114344 -3.27361956 -4.1248722 -4.41581942 -6.02383397 -3.9913532 0.36147614 -5.33496451 -9.4586779 -10.9204245 -35.70272244 -51.04317479 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00259615-01 196721113 tox21-ror-cho-viability-p1 set3 4 39.199219119 7.637826736 -4.137826736 3.5 3.1319983358 0.4361777428 0.2400319696 -6.16053628 -5.3605674 -3.35547994 2.25576517 -3.47655889 -2.49421028 -8.03152228 -5.10432934 -3.94538386 -3.31173568 -7.64411032 -3.13762965 -5.64480728 0.61346861 3.09903751 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.000001671 0.0000037379999999 0.000008357 0.00001869 0.00004179 0.00009344 552-30-7 11089 144209264 A A Trimellitic anhydride O=C(O)c1ccc2C(=O)OC(=O)c2c1 Tox21_202066 -NCGC00259211-01 196721121 tox21-ror-cho-viability-p1 set3 4 39.1598920918 10.636906272 -5.636906272 5 0.6 0.3233058457 0.3474155751 -0.05739295 -15.11408856 -5.43757431 -4.24916699 -3.43821876 -4.50210611 -5.74459481 -5.66422797 -4.93697282 -4.15094241 -3.30521941 -0.77358251 -2.01729068 -2.83666443 2.64543221 1.195E-9 2.6729999999E-9 5.9769999999E-9 1.336E-8 2.988E-8 6.682E-8 1.494E-7 3.341E-7 7.4709999999E-7 0.000001671 0.000003735 0.000008353 0.000018679999999 0.000041759999999 0.00009339 131-16-8 8559 144208860 A A Dipropyl phthalate O=C(OCCC)c1ccccc1C(=O)OCCC Tox21_201662 -NCGC00258833-01 196721122 tox21-ror-cho-viability-p1 set3 4 -3.55218154 -8.14478597 1.71267083 -3.41941362 -4.13685079 1.90511485 -5.13540069 -13.01509976 -8.08862141 -7.49582619 -8.28709913 -7.20978663 -6.08904431 1.31569558 -2.48527693 1.1839999999E-9 2.648E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.619E-8 1.4799999999E-7 3.309E-7 7.4E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.0000925 330-55-2 9502 144208479 A A Linuron Clc1ccc(NC(=O)N(C)OC)cc1Cl Tox21_201281 -NCGC00260524-01 196723909 tox21-ror-cho-viability-p1 set3 4 0.2733379149 -4.246206836 2 -2.246206836 4.9549173134 0.4233129996 0.2520330594 -5.0866517 2.29025085 2.1206106 5.13593418 2.48194843 3.5705424 5.40566708 -2.07587469 -2.67142476 -1.37930778 -0.21999487 -1.94888589 -5.62183903 -1.1856131 -1.75216942 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.00000369 0.000008252 0.000018449999999 0.000041259999999 0.00009226 104-98-3 736715 144210176 Ac A Urocanic acid OC(=O)/C=C/c1cncn1 Tox21_202978 -NCGC00262928-01 196723493 tox21-ror-cho-viability-p1 set3 4 4.02621573 6.1579623 2.23669581 9.21903217 -0.30036665 -0.14913094 5.49145578 0.14741875 9.74366752 14.00977853 13.99610402 5.39995896 8.49524164 7.77195135 6.21554483 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 167221-71-8 153994 170466066 A A Clevidipine CC=1NC(C)=C(C(C=1C(=O)OCOC(=O)CCC)c2cccc(Cl)c2Cl)C(=O)OC Tox21_113923 -NCGC00357138-01 196723902 tox21-ror-cho-viability-p1 set3 4 2.62034686 2.7380895 5.35402546 6.36998898 2.8835212 -0.6128203 6.82586293 1.32460307 1.19778983 -5.65902776 5.16457379 -11.67755423 2.02695612 1.8615794 1.31528427 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-77-3 6555 251919948 F 1-Bromo-2-methylpropane CC(C)CBr Tox21_303878 -NCGC00258786-01 196723907 tox21-ror-cho-viability-p1 set3 4 1.9232929515 -9.9964384359 -0.5 -10.4964384359 2.1876167061 0.742955277 0.021776941 -0.89252908 0.34123189 -5.91883186 -1.27524067 -2.14771794 0.41570629 5.18905819 1.67959719 -0.94866859 -5.54512832 -7.96004829 -7.98151963 -13.74703203 -12.56915431 -7.4186713 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.000018359999999 0.000041049999999 0.000091779999999 17804-35-2 28780 144208432 A A Benomyl O=C(OC)Nc2nc1ccccc1n2C(=O)NCCCC Tox21_201234 -NCGC00260573-01 196723911 tox21-ror-cho-viability-p1 set3 4 8.4126743008 10.9890863359 -2.9890863359 8 2.8472712143 0.5502025623 0.1357629459 -12.49090528 -1.36710623 1.19619224 -3.35039141 -3.79938566 0.49071146 0.94769513 -6.29255121 -1.49529734 -0.69991595 -4.27283545 -0.44215548 2.5405992 9.05040127 6.69827436 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49469 144210226 M M NTP Mix81 CT1 62-EQP Tox21_203028 -NCGC00091146-04 196697739 tox21-ror-cho-viability-p1 set1 4 61.130564862 -22.2164701799 -1 -23.2164701799 3.1924983358 0.9336038458 0.0000394342 0.10342577 1.1535991 0.002512 -2.16521945 0.09006356 -1.02174221 -3.74353913 -0.72001225 -1.36507865 -0.76124274 -2.59339915 -0.39540378 -2.23065994 -5.46255393 -18.51372515 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00015715-08 196698151 tox21-ror-cho-viability-p1 set1 4 0.7394576 -2.26148945 3.60929555 0.64443542 -0.71228611 -3.68718013 -3.52406084 0.41627362 2.22853822 2.63638791 1.10957748 2.93974403 -2.25682663 0.89578207 2.77081091 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53179-07-0 4500 170466483 A Nisoxetine COc2ccccc2OC(CCNC)c1ccccc1 Tox21_110203_1 -NCGC00182985-01 196698168 tox21-ror-cho-viability-p1 set1 4 -1.70566441 2.27362504 3.12423062 2.78220268 1.8621889 0.46371134 1.45851816 1.1207428 -1.55638267 2.92309974 -1.4116319 3.55394905 0.74249367 0.34646451 -1.25040404 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7077-34-1 11499 144206882 F Fns Trolnitrate O=[N+]([O-])OCCN(CCO[N+]([O-])=O)CCO[N+]([O-])=O Tox21_113331 -NCGC00253913-01 196720661 tox21-ror-cho-viability-p1 set3 4 2.7306020303 -7.170375796 -0.5 -7.670375796 4.9549173134 0.4158971688 0.2743698404 -5.6565273 -10.14197983 1.6456511 2.50699432 0.26459962 -0.25245139 1.31597395 0.14079759 2.06627733 2.19097879 -8.57613343 -7.96809906 -8.19759428 -4.4439856 2.48300979 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-48-0 7302 144210508 A A 4-Butyrolactone O=C1CCCO1 Tox21_300188 -NCGC00254296-01 196720249 tox21-ror-cho-viability-p1 set3 4 -3.49386477 -9.14473559 1.05677934 -5.28705686 1.4660364 0.57162992 -5.3177589 3.54335786 -6.02469597 -8.08565796 -2.84411889 -6.92619645 -1.91965971 1.33929335 -10.70991306 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-38-9 5634 144210701 A A 10-Undecenoic acid O=C(O)CCCCCCCCC=C Tox21_300383 -NCGC00254773-01 196720649 tox21-ror-cho-viability-p1 set3 4 9.51822544 1.6760688 2.86754556 -1.4100091 1.15533222 3.67781412 10.47764273 0.67002215 -2.9825555 -2.10369107 9.33220679 5.97855644 2.74826427 8.18531362 -1.77250759 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 143-08-8 8914 144211186 A A 1-Nonanol CCCCCCCCCO Tox21_300869 -NCGC00254810-01 196720660 tox21-ror-cho-viability-p1 set3 -2.4 24.3365162115 -28.812197352 4.5 -24.312197352 2.6384283767 0.9243507479 0.0000774185 2.8900244 6.10650253 7.39788647 2.63608466 6.25270928 2.35608866 2.17250968 10.83429463 0.48411856 4.1684446 5.53652679 0.8516211 -3.47361024 -18.40978952 -24.01016446 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-14-5 31200 144211223 D Fenitrothion S=P(Oc1cc(C)c(cc1)[N+]([O-])=O)(OC)OC Tox21_300906 -NCGC00015590-06 196724983 tox21-ror-cho-viability-p1 set3 4 7.4978038628 16.765993552 -8.265993552 8.5 4.9549173134 0.3610093277 0.3087073635 -2.29354882 0 -14.51894702 8.95236542 -9.4523024 -15.39327784 -12.39623421 -11.53896005 6.17770206 -18.13832796 -17.09707397 -16.11623297 7.48127598 8.35320451 5.85293625 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 105431-72-9 3932 170466342 A Linopirdine O=C4N(c1ccccc1C4(Cc2ccncc2)Cc3ccncc3)c5ccccc5 Tox21_110177_1 -NCGC00260657-01 196724566 tox21-ror-cho-viability-p1 set3 4 -3.65878347 3.33778011 8.07354298 -7.67078069 -2.91181474 16.26217405 1.44561177 1.21259959 0.28019995 -2.34594935 1.31493817 -0.67679838 1.48137421 -0.87472013 1.2855231 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49553 144210310 M M NTP Mix23 AR2 2-EQP Tox21_203112 -NCGC00260274-01 196724577 tox21-ror-cho-viability-p1 set3 4 0.0019173776 17.172742048 -13.672742048 3.5 2.9522712143 0.6804525379 0.0578350926 -9.72728504 -0.16333081 2.87113824 -1.43462113 0.69396589 2.99676985 3.1819574 3.34502352 3.59083282 4.7089559 9.8116203 3.28716386 2.98180009 5.89457521 -2.07566585 1.2899999999E-9 2.885E-9 6.451E-9 1.443E-8 3.2259999999E-8 7.213E-8 1.613E-7 3.6059999999E-7 8.064E-7 0.000001803 0.000004032 0.000009016 0.00002016 0.000045079999999 0.0001008 103-30-0 638088 144209924 A A trans-Stilbene C(=C/c1ccccc1)\c2ccccc2 Tox21_202726 -NCGC00015678-10 196724981 tox21-ror-cho-viability-p1 set3 4 4.60354818 0.00834864 4.78054167 0.34808066 -0.92398711 1.12857371 1.02664486 0.79047905 0.22340245 -4.26829743 1.95224984 1.20725844 3.92004761 4.90358649 1.3198247 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 964-52-3 6420039 170465759 A Moxisylyte hydrochloride Cl.CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C Tox21_110194_1 -NCGC00357163-01 196703392 tox21-ror-cho-viability-p1 set1 4 0.1368542878 4.6702659559 -2.1702659559 2.5 4.9549173134 0.3403835377 0.3313769398 -3.97841334 0.22726427 4.42494408 -1.83658808 -3.72003076 -7.22522163 0.71299697 3.7950388 2.57126668 -0.03901464 7.67567568 0.26658016 0.6447298 1.74517597 2.21612755 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-37-1 66133 251919648 A Benzyltriethylammonium chloride [Cl-].CC[N+](CC)(Cc1ccccc1)CC Tox21_303914 -NCGC00260005-01 196708770 tox21-ror-cho-viability-p1 set2 -1.1 17.0713660252 -89.8015858326 1.179591324 -88.6219945086 3.5722481694 0.9959229824 0 0.70015244 0.13353549 4.75898246 1.87743852 3.74557607 1.89933728 0.57352648 0.09972418 0.35300979 -0.06779951 -2.0870034 -6.44426774 -48.10681097 -88.4451043 -85.54877625 1.171E-9 2.618E-9 5.8529999999E-9 1.3089999999E-8 2.927E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.317E-7 0.0000016359999999 0.000003658 0.0000081809999999 0.00001829 0.0000409 0.00009146 2772-45-4 76013 144209654 A A 2,4-Bis(1-methyl-1-phenylethyl)phenol CC(C)(c1cc(ccc1O)C(C)(C)c2ccccc2)c3ccccc3 Tox21_202456 -NCGC00260513-01 196703397 tox21-ror-cho-viability-p1 set1 -2.2 48.7553235558 -46.5338588088 0 -46.5338588088 1.78848746 0.9772704627 9.96E-8 -0.16124733 0.38702021 -1.66309866 -0.29661705 0.66009122 -1.23032266 -0.85056535 -2.4529931 0.28670847 0.53942746 2.18289066 0.35001665 -9.85987399 -19.36030245 -35.25292334 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004135 0.00009247 215-58-7 9164 144210165 F A Dibenz[a,c]anthracene c3cc4c1ccccc1c2cc5ccccc5cc2c4cc3 Tox21_202967 -NCGC00260288-01 196703391 tox21-ror-cho-viability-p1 set1 4 -0.56908293 -3.755418 0.61100294 -3.13127179 -3.21401252 -4.8802006 -4.73440859 -2.11015976 -0.27945059 -0.81411834 -5.6377584 -3.85474373 0.83867179 -2.56906913 0.42039705 6.565E-11 1.4679999999E-10 3.283E-10 7.3399999999E-10 1.641E-9 3.67E-9 8.2059999999E-9 1.835E-8 4.103E-8 9.175E-8 2.0519999999E-7 4.5879999999E-7 0.000001026 0.000002294 0.0000051289999999 127-08-2 517044 144209938 A Potassium acetate [K+].[O-]C(C)=O Tox21_202740 -NCGC00091839-03 196703395 tox21-ror-cho-viability-p1 set1 4 30.6378586933 -12.1913661199 -1.5 -13.6913661199 4.9549173134 0.6633886793 0.0567796678 -0.6893474 -5.16171957 -5.16681333 -2.69920023 3.00355206 -2.60663624 2.58141227 -1.80598823 -1.38587749 -4.87831381 -3.2024241 2.05618292 0.10482438 -13.4928051 -12.09974213 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00356973-01 196703793 tox21-ror-cho-viability-p1 set1 4 3.44228766 -1.78286879 0.02251092 -0.875819 -4.55091237 -0.05802689 1.03463088 2.10586148 1.46852468 -7.99601993 -1.42357609 3.36074018 0.43666832 1.77312396 -1.05907541 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7786-67-6 24585 251919794 F 5-Methyl-2-(prop-1-en-2-yl)cyclohexanol CC(=C)C1CCC(C)CC1O Tox21_303961 -NCGC00260219-01 196703799 tox21-ror-cho-viability-p1 set1 4 -4.31252103 2.15088241 -2.49542377 -1.58132218 -1.83849721 -2.80973792 -1.81601329 -1.25891282 -3.19386525 -11.3979063 -5.3484358 -4.57504946 1.72020694 -2.84833945 -2.44774626 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.397E-7 0.0000016539999999 0.0000036989999999 0.0000082699999999 0.000018489999999 0.00004135 0.00009247 17874-63-4 60196387 144209869 A A 1-Methyl-1-propylpiperidinium iodide [I-].CCC[N+]1(C)CCCCC1 Tox21_202671 -NCGC00356966-01 196703808 tox21-ror-cho-viability-p1 set1 4 68.5896218971 13.523023772 -0.023023772 13.5 3.6272481694 0.5126092994 0.1688230712 0.33007851 0.47318439 7.4800288 -0.11816945 -0.41307751 0.36575093 1.28313206 -2.1509245 -4.60251981 -1.65808348 -1.38469923 -2.21906048 0.6422105 1.59496572 10.06722625 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135-98-8 8680 251919668 Ac sec-Butylbenzene CCC(C)c1ccccc1 Tox21_303828 -NCGC00164497-02 196704218 tox21-ror-cho-viability-p1 set1 4 0.50515076 0.07119745 0.97605419 2.27335326 -0.06749304 2.68696333 0.01015234 0.8239279 7.32407538 0.78477928 3.19195131 0.42670389 4.82205314 1.90260778 0.6546198 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1038-59-1 13953 170466585 A Glyoctamide Cc1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCCCC2 Tox21_112135_1 -NCGC00274056-01 196704230 tox21-ror-cho-viability-p1 set1 4 -2.01672171 1.23551519 -1.19244419 -1.04320933 -1.99734472 -2.08126121 0.50212232 -3.07020442 -0.13180989 1.60862679 1.18275767 0.86849309 -2.15095036 1.80040787 1.17075046 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 115436-72-1 9862176 170464992 F Risedronate sodium [Na+].[Na+].[O-]P(=O)(O)C(O)(Cc1cccnc1)P([O-])(=O)O Tox21_111791_1 -NCGC00181916-01 196704629 tox21-ror-cho-viability-p1 set1 4 0.90867077 5.33802653 -0.43718773 -0.10723437 2.4699708 3.82866203 -0.41478048 5.0880888 1.53656529 3.33265601 -4.84081319 2.90907788 3.28597003 0.82369594 0.76447295 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 963-14-4 13755 144206640 A A Sulfaethoxypyridazine O=S(=O)(Nc1ccc(OCC)nn1)c2ccc(N)cc2 Tox21_113089 -NCGC00253725-01 196704631 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -15.82141294 1.5 -14.32141294 4.0949729863 0.620168809 0.0836142789 0.81946243 0.75130341 2.31039043 -2.75434633 -2.2704451 6.30232122 1.23679737 7.18808158 1.45530269 0.27892936 1.98743002 2.65886621 0.94645555 -0.19704761 -11.10117745 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 784-38-3 69912 170466707 A Ac 2-Amino-5-chloro-2'-fluorobenzophenone Nc2ccc(Cl)cc2C(=O)c1ccccc1F Tox21_113844 -NCGC00249913-01 196723139 tox21-ror-cho-viability-p1 set3 4 5.9557173066 -8.20971536 2.5 -5.70971536 4.9549173134 0.6081440736 0.1061406163 3.65076008 5.16348205 1.40903682 5.35300676 -0.21392193 -0.42411812 0.36001938 0.12228326 3.56849816 0.83622331 5.65796027 3.4699868 -6.4247628 -4.57223802 8.75988044 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1081-50-1 5369881 170465758 Ac Ac Isoniazid pyruvate O=C(N\N=C(\C)C(=O)O)c1ccncc1 Tox21_113689 -NCGC00257656-01 196701968 tox21-ror-cho-viability-p1 set1 4 -7.40350093 -9.29513069 -18.6831581 -9.09759769 -10.59943092 -5.84580639 -15.37518914 -11.93263451 -3.47154397 -14.49202072 -13.46408499 -10.79909725 -17.43205943 -6.39229499 -8.1688303 1.194E-9 2.6689999999E-9 5.969E-9 1.335E-8 2.9839999999E-8 6.6729999999E-8 1.4919999999E-7 3.337E-7 7.4609999999E-7 0.000001668 0.0000037309999999 0.000008342 0.00001865 0.00004171 0.00009326 103-63-9 7666 144207300 C Phenethyl bromide BrCCc1ccccc1 Tox21_200102 -NCGC00181750-01 196722723 tox21-ror-cho-viability-p1 set3 2.2 29.8492948118 53.941159638 2.4981052815 56.4392649195 1.331 0.8870326804 0.0005884994 2.44032475 2.57431555 -0.18210638 -0.4580912 2.67148448 1.34950686 -0.85198203 -1.881543 3.55830242 5.39389741 8.06271023 13.85449958 9.06121813 17.60328358 42.99931937 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 113981-44-5 6918222 144206474 A B Cefozopran hydrochloride Cl.CO\N=C(/c1nc(N)sn1)C(=O)N[C@@H]5C(=O)N4C(C([O-])=O)=C(C[n+]3ccn2ncccc23)CS[C@@H]45 Tox21_112921 -NCGC00167781-06 196722724 tox21-ror-cho-viability-p1 set3 4 -3.63311445 -0.27748038 -3.94341414 -0.59181245 -3.57660979 0.79139224 -0.1574114 1.77104315 -6.40781393 -5.82532811 -7.22955589 -6.56427524 -8.2145762 -7.08587164 9.6091676 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 200707-85-3 60196365 170465029 A Cetirizine amide dihydrochloride Cl.Cl.NC(=O)COCCN1CCN(CC1)C(c2ccc(Cl)cc2)c3ccccc3 Tox21_113602_1 -NCGC00178840-05 196722743 tox21-ror-cho-viability-p1 set3 4 1.6785492 -18.057166316 3 -15.057166316 3.5117481694 0.4132763261 0.2752462864 -5.53888611 -5.59926896 19.36966589 -9.728868 15.01143499 0 -7.14602591 12.10259118 -2.10372452 13.14580501 -10.06877429 -15.83339382 -15.88097193 -12.77321439 10.39449623 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 642-78-4 23675320 170465404 A Cloxacillin sodium [Na+].O=C([O-])[C@@H]3N4C(=O)[C@@H](NC(=O)c2c(C)onc2c1ccccc1Cl)[C@H]4SC3(C)C Tox21_110744_1 -NCGC00169964-05 196723146 tox21-ror-cho-viability-p1 set3 -2.2 2.9849294812 -46.3726392949 -0.048150079 -46.4207893739 0.6 0.9755110975 1.526E-7 -0.14379917 -1.98580342 -2.01723063 -0.54100321 0.06817589 -0.41111577 -3.3980677 -9.26363201 -10.84279816 -17.0219435 -15.76880979 -26.10740763 -33.89268049 -32.01733184 -40.4133249 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66-81-9 6197 170466349 A Cycloheximide O=C2CC(C[C@@H](O)[C@@H]1C[C@@H](C)C[C@H](C)C1=O)CC(=O)N2 Tox21_113580_1 -NCGC00160514-02 196723148 tox21-ror-cho-viability-p1 set3 4 5.3080386368 -15.8853221679 0 -15.8853221679 1.331 0.7963096108 0.0086287345 -2.29798056 1.65299968 2.10925196 -7.47206612 4.24073012 -0.1424573 0.35113767 0.1297652 -0.30019079 -3.04323231 -2.49353425 -6.26792315 -11.06654708 -14.90443514 -13.01033714 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58186-27-9 3686 170465611 A Idebenone COC1=C(OC)C(=O)C(C)=C(CCCCCCCCCCO)C1=O Tox21_111864_1 -NCGC00016893-04 196723151 tox21-ror-cho-viability-p1 set3 4 0.26603212 -15.4609734439 8 -7.4609734439 4.9549173134 0.6505291841 0.0752928611 -5.42243106 -1.73541754 8.95882343 12.58792918 14.03936968 9.0837733 13.69231764 10.28843336 -6.02729745 -7.66252725 -6.62095831 -9.96747787 -5.77712965 -6.02401837 15.83564772 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60200-06-8 43231 170466229 A Clorsulon Nc1cc(c(cc1S(=O)(N)=O)S(N)(=O)=O)C(/Cl)=C(/Cl)Cl Tox21_110669_1 -NCGC00178579-04 196723153 tox21-ror-cho-viability-p1 set3 4 37.5780357627 11.8194257759 -1.8194257759 10 4.9549173134 0.5793247495 0.1139059527 -3.31066091 -0.6656182 0.5079273 -0.7561027 -0.44206786 -2.59616745 -0.32553353 0.15407892 -1.11154501 -0.63794459 -2.92970035 -1.06977918 -7.34952148 -4.26143181 8.16201131 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27262-48-2 117965 170465452 A Levobupivacaine hydrochloride Cl.Cc2cccc(C)c2NC(=O)[C@@H]1CCCCN1CCCC Tox21_111706_1 -NCGC00255695-01 196700242 tox21-ror-cho-viability-p1 set1 4 3.28520743 -1.07221847 0.09842536 1.98136957 -1.19444757 3.88156819 2.78292002 -1.41931223 0.12804466 2.29793088 -3.14891169 2.40072402 4.57997536 0.08198768 7.18270608 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 147-81-9 66308 144211850 A Arabinose O[C@H](C=O)[C@H](O)[C@H](O)CO Tox21_301533 -NCGC00256146-01 196700230 tox21-ror-cho-viability-p1 set1 4 -0.74137947 3.12465143 0.70749888 1.30860418 1.64156569 2.43627468 2.25024043 -0.39874414 1.74063658 -0.04970401 -0.94256736 -0.66656632 2.38517452 5.86478105 3.77625921 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2386-60-9 75430 144212004 F A Butane-1-sulfonyl chloride CCCCS(Cl)(=O)=O Tox21_301687 -NCGC00256082-01 196700235 tox21-ror-cho-viability-p1 set1 4 6.1130564862 -17.0985346839 -2 -19.0985346839 0.7999999999 0.5657886338 0.1384420356 -5.93803508 1.94554637 -6.00840517 -8.6335875 -5.71597771 -2.34239621 -1.44902308 -0.95376396 -9.40128182 -2.17737292 -7.69933927 -14.60817962 -14.41156101 -14.66544557 -3.36197907 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52196-74-4 40273 144211801 A A 2-Chloro-1,4-diethoxybenzene Clc1cc(ccc1OCC)OCC Tox21_301484 -NCGC00259647-01 196722264 tox21-ror-cho-viability-p1 set3 4 43.409191146 8.5513504919 -6.5513504919 2 2.4063783767 0.6172130274 0.0870431793 -6.03097514 -7.95919043 -4.10174778 -4.29473623 -4.11452907 -9.62612541 -9.12920193 -4.82317774 -7.65574714 -6.82040454 -6.66654216 -5.78065452 -5.88828569 -2.287925 1.1237646 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9569999999E-8 6.613E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003697 0.000008266 0.00001848 0.00004133 0.000092409999999 1610-18-0 4928 144209296 A A Prometon COc1nc(NC(C)C)nc(NC(C)C)n1 Tox21_202098 -NCGC00259093-01 196721861 tox21-ror-cho-viability-p1 set3 4 30.70018354 13.8695270479 -3.8695270479 10 1.752947691 0.5489328553 0.1367606507 -7.81622453 -5.92532054 -4.59073713 1.69271806 -3.98345117 -4.96366083 -2.89405449 -8.64127254 -3.79918992 4.01153693 -3.61285266 -6.27664516 3.44719364 1.89415193 10.39878543 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.61E-8 1.4779999999E-7 3.305E-7 7.3899999999E-7 0.0000016529999999 0.0000036949999999 0.000008263 0.00001848 0.00004131 0.000092379999999 119-36-8 4133 144208741 A A Methyl salicylate Oc1ccccc1C(=O)OC Tox21_201543 -NCGC00259144-01 196721874 tox21-ror-cho-viability-p1 set3 4 33.9920544223 14.6324846479 -7.6324846479 7 2.3331733767 0.4071863948 0.2650887951 -12.52756916 -7.4298503 -3.97097506 3.88835542 -10.80311155 -6.91357134 -15.52707054 -7.47002838 -12.3793474 -4.0324453 -8.67218079 -3.46480487 -9.47588479 3.8759977 4.59378311 1.1689999999E-9 2.614E-9 5.845E-9 1.3069999999E-8 2.922E-8 6.535E-8 1.461E-7 3.267E-7 7.306E-7 0.0000016339999999 0.000003653 0.0000081679999999 0.00001826 0.00004084 0.000091319999999 55-38-9 3346 144208793 A B Fenthion Cc1cc(ccc1SC)OP(=S)(OC)OC Tox21_201595 -NCGC00258911-01 196721875 tox21-ror-cho-viability-p1 set3 4 5.8714149376 7.6464670159 -3.6464670159 4 0.5999999999 0.3921724003 0.2815087521 0.02154318 -1.21573235 -12.20538918 -1.09460108 -3.21696832 -4.04146586 -2.43846809 0.32043994 -3.37860005 -2.16009544 -1.01693846 2.23225883 0.76568626 2.22008105 3.04701553 1.141E-9 2.5509999999E-9 5.7039999999E-9 1.2749999999E-8 2.852E-8 6.377E-8 1.426E-7 3.1879999999E-7 7.1299999999E-7 0.000001594 0.0000035649999999 0.000007971 0.00001782 0.000039859999999 0.00008912 52214-84-3 2763 144208557 A A Ciprofibrate ClC2(Cl)CC2c1ccc(OC(C)(C)C(=O)O)cc1 Tox21_201359 -NCGC00259355-01 196722269 tox21-ror-cho-viability-p1 set3 4 -5.60080729 -6.63992258 -4.18455718 -6.19516599 -3.79748067 -5.44357827 -7.16670573 -3.40016944 -3.9881616 -3.37176696 -2.92510721 -3.88306599 -3.76630143 -5.11737183 -5.96528804 1.1609999999E-9 2.5969999999E-9 5.806E-9 1.298E-8 2.903E-8 6.492E-8 1.4519999999E-7 3.246E-7 7.258E-7 0.000001623 0.000003629 0.000008115 0.00001814 0.00004057 0.00009072 1212-29-9 727200 144209004 A A N,N'-Dicyclohexylthiourea S=C(NC1CCCCC1)NC2CCCCC2 Tox21_201806 -NCGC00164532-02 196722673 tox21-ror-cho-viability-p1 set3 4 -20.52260998 -0.14884631 -3.17361923 -1.90051262 0.66439697 -2.32403104 0.25439347 -22.04891183 -0.66088334 -2.39385034 0.85620709 0.88450809 -4.22623697 1.05004411 6.96226633 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1693-37-4 74325 170466245 A Parapropamol Oc1ccc(NC(=O)CC)cc1 Tox21_112163_1 -NCGC00091759-02 196722680 tox21-ror-cho-viability-p1 set3 4 0.12232504 0.38882677 -0.45460178 -0.05929746 -1.39527604 3.33165759 -1.93727465 -0.22439106 9.40963459 2.81223503 -0.10683004 -2.45866068 -2.87210256 5.33089645 1.4800423 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00159346-04 196722682 tox21-ror-cho-viability-p1 set3 -2.4 33.4914596268 -28.08025984 1 -27.08025984 4.9549173134 0.8919215993 0.0004765896 2.0228055 -2.28126178 0.7935259 0 0 -0.99885986 0 0 4.62223497 0.64349645 5.55463764 -1.22251339 -0.0889226 -0.39668081 -22.5668832 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 91161-71-6 1549008 170465174 A Terbinafine CC(C)(C)C#C\C=C\CN(C)Cc2cccc1ccccc12 Tox21_111591_1 -NCGC00164549-02 196722685 tox21-ror-cho-viability-p1 set3 4 26.6032120037 11.299614944 -1.799614944 9.5 4.9549173134 0.4581381996 0.2179235683 -1.38607182 -1.49217591 0.66688514 -1.02018284 -1.23490233 -3.52270511 -1.75889304 0.05951012 -4.46160194 -1.06280294 -1.52866468 2.49102202 -11.49967912 1.19079634 8.89677508 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 115256-11-6 71329 170465418 A Dofetilide CS(=O)(=O)Nc1ccc(cc1)CCN(C)CCOc2ccc(cc2)NS(C)(=O)=O Tox21_112178_1 -NCGC00091468-02 196725318 tox21-ror-cho-viability-p1 set3 4 0.0078291206 9.33307012 -1.83307012 7.5 2.3331733767 0.4898106765 0.2050182469 -3.1942251 0.36831393 1.07062258 4.66217646 10.51688362 9.06517657 4.95335477 11.80006976 2.5126623 1.91255633 10.2370367 6.38539334 14.87865236 4.91370737 -3.31584477 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00090686-07 196726245 tox21-ror-cho-viability-p1 set3 4 0.0273060203 4.1684184999 -0.1684184999 4 3.9294729863 0.3394652623 0.3489558028 -2.64034875 1.67371619 0.41606249 0.50212974 1.66241689 9.6165947 4.28301649 7.71995729 2.15153052 4.95103395 3.43185832 -0.86619662 3.28309602 1.93803155 0.54052593 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00016386-06 196725832 tox21-ror-cho-viability-p1 set3 4 33.4914596268 -23.388222964 -1.5 -24.888222964 3.1319983358 0.8884727495 0.0005596652 1.41760848 -1.64080548 -1.5274333 -1.46384508 -1.54808999 -0.76110898 -1.26355932 -2.65842878 0.11761434 -5.18689389 0.5015643 -0.03275337 -3.60859268 -5.32040994 -18.65685247 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127-79-7 5325 170464738 A Sulfamerazine O=S(=O)(Nc1nc(C)ccn1)c2ccc(N)cc2 Tox21_110411_1 -NCGC00091468-02 196726241 tox21-ror-cho-viability-p1 set3 4 19.6658616925 10.5252138841 0.9747861159 11.5 0.5 0.4003753239 0.2735655617 3.48504583 2.18908405 -0.77907043 2.59047595 1.31758509 -0.29488917 -2.52101157 6.52441461 3.46479377 3.36961917 2.77234017 9.84171863 0.3167788 8.59141631 8.91168651 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00166222-04 196726242 tox21-ror-cho-viability-p1 set3 4 0.3349145963 -13.958613216 2 -11.958613216 0.2 0.5932908241 0.1037156145 0.77302506 0.40491866 -2.45753053 -5.18390003 -6.4081868 -3.53975474 -3.84830233 -2.46881079 -6.95882447 -2.97689368 -5.68237634 -4.80088809 -7.84239029 -6.91117755 -10.38217768 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3412-76-8 2728761 170465030 I N,N'-Dibenzylethane-1,2-diamine dihydrochloride Cl.Cl.C(NCc1ccccc1)CNCc2ccccc2 Tox21_112357_1 -NCGC00257430-01 196726649 tox21-ror-cho-viability-p1 set3 -1.2 2.7306020303 -45.297529204 2.5080559365 -42.7894732675 4.0949729863 0.9912894025 4E-10 5.43743689 3.38837769 4.73039419 4.29096642 1.2528363 4.25323295 -1.63737278 2.88575515 -0.92849914 -2.5184238 -31.1507156 -41.90932028 -43.54851196 -42.91587262 -44.40144438 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66-81-9 6197 144213954 A A Cycloheximide O=C2CC(C[C@@H](O)[C@@H]1C[C@@H](C)C[C@H](C)C1=O)CC(=O)N2 Tox21_303652 -NCGC00257382-01 196726660 tox21-ror-cho-viability-p1 set3 -2.2 22.3837347482 -49.2526388606 0.0086407809 -49.2439980797 1.6258976909 0.9648818123 0.0000011832 0.05656991 1.6351627 0.51482105 0.99164887 -1.03475486 0.20000803 1.05288731 -0.54510273 -0.24752634 -1.07632694 0.88412795 -9.7676626 -16.94744495 -25.64298703 -48.27842949 9.0839999999E-10 2.0309999999E-9 4.5419999999E-9 1.016E-8 2.271E-8 5.0779999999E-8 1.136E-7 2.539E-7 5.678E-7 0.00000127 0.000002839 0.0000063479999999 0.00001419 0.00003174 0.000070969999999 52806-53-8 91649 144213961 A A Hydroxyflutamide O=C(Nc1cc(c(cc1)[N+]([O-])=O)C(F)(F)F)C(C)(C)O Tox21_303659 -NCGC00257081-01 196727482 tox21-ror-cho-viability-p1 set3 4 1.71402561 2.03807339 1.82734589 -0.93359983 2.55471768 1.77596048 2.2309821 -0.52439254 -0.47616939 2.386089 2.85115967 -1.23162673 -1.48427528 -0.53652906 0.54967602 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-83-7 7582 144213414 A Fc Dicyclohexylamine C1CCCCC1NC2CCCCC2 Tox21_303097 -NCGC00256775-01 196727486 tox21-ror-cho-viability-p1 set3 4 34.3762428541 -19.798322612 -0.5 -20.298322612 3.1319983358 0.8093825373 0.0065221523 -8.67132008 1.31772164 -0.56392335 2.25428402 2.46150257 -1.64812614 -0.5397565 0.37964696 0.91625949 -1.10271751 0.36344313 -2.90744552 -0.94472213 -14.25392967 -18.58193551 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 3790-78-1 5320128 144212773 Cc F cis-Nerolidol C/C(C)=C\CCC(/C)=C\CCC(C)(O)C=C Tox21_302456 -NCGC00257177-01 196727490 tox21-ror-cho-viability-p1 set3 4 -2.18522399 -0.04271037 0.21983878 -3.36662659 -4.51508231 -3.88290536 1.70633107 0.58266178 0.22463943 0.07727116 2.11029458 -3.48614174 -5.3852524 0.30867908 0.54712223 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 688-84-6 12713 144213389 A Ac 2-Ethylhexyl methacrylate O=C(OCC(CCCC)CC)C(=C)C Tox21_303072 -NCGC00255859-01 196727900 tox21-ror-cho-viability-p1 set3 4 0.0017176385 14.3092212759 -8.3092212759 6 4.5044702849 0.3343607613 0.35070512 -6.09101773 4.21213528 7.12246892 -0.97119997 -1.23474636 9.27911155 11.81598502 7.48006736 13.28098502 5.59957524 10.61739436 2.27596158 6.20954155 0.24053532 -0.14709326 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 512-42-5 2735086 144211633 Ac Sodium methyl sulfate [Na+].[O-]S(=O)(=O)OC Tox21_301316 -NCGC00164168-02 196727907 tox21-ror-cho-viability-p1 set3 4 2.76063299 0.19319235 2.07821003 3.28350255 2.89169122 1.64439747 2.63288119 3.04498094 0.49882735 0.01251538 0.6959341 1.66384075 0.08735291 -3.48644668 0.20127344 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00249052-02 196705467 tox21-ror-cho-viability-p1 set1 4 -0.55104809 -0.3868856 0.50917122 -0.37761302 1.19920784 -0.26460517 5.4829707 -0.42337429 -1.68102819 0.65028495 -1.19062571 -0.21462691 -0.70753767 3.63755582 5.77170916 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5743-49-7 68651 170465651 F Calcium levulinate [Ca+2].O.O.O=C([O-])CCC(C)=O.CC(=O)CCC([O-])=O Tox21_112315_1 -NCGC00253698-01 196705477 tox21-ror-cho-viability-p1 set1 4 -0.83172841 1.21029195 -1.02148102 1.77325064 0.43768889 0.76069778 1.50626239 -0.46614114 1.30313594 0.49146465 1.25202999 -0.47156862 -0.08303536 3.43907094 -0.27864299 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 22720-75-8 89805 170466757 Ac A 2-Acetylbenzo[b]thiophene CC(=O)c1cc2ccccc2s1 Tox21_113819 -NCGC00092334-02 196705061 tox21-ror-cho-viability-p1 set1 4 0.8412674301 4.7402743439 -0.7402743439 4 4.9549173134 0.4307352332 0.2448849809 -3.76751048 -0.08119054 -0.04068376 0.77138053 2.623234 -4.75422206 -0.0458143 2.66885796 -6.45022862 1.77541144 5.36858378 2.22350659 4.34669591 2.05616678 4.63678082 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 91940-87-3 3045335 170466631 A Zatebradine hydrochloride Cl.COc1ccc(cc1OC)CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O Tox21_111195_1 -NCGC00091759-02 196705457 tox21-ror-cho-viability-p1 set1 4 0.65875619 4.45063303 1.65960214 0.61303821 2.80043521 1.91984721 1.5076619 0.09348452 -1.20336767 1.02721122 -0.39408265 -0.36138274 1.80645019 2.02963209 1.40117421 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00259045-01 196705873 tox21-ror-cho-viability-p1 set1 4 3.51766093 3.13224135 0.45737357 2.37611153 -0.29708361 4.09518597 -5.3600688 0.36258734 -9.10890431 11.08567387 4.09847259 -2.92144454 3.33929276 1.8339431 0.49146046 1.1689999999E-9 2.615E-9 5.8469999999E-9 1.3069999999E-8 2.9239999999E-8 6.537E-8 1.462E-7 3.269E-7 7.309E-7 0.0000016339999999 0.0000036539999999 0.0000081709999999 0.00001827 0.00004086 0.000091359999999 106-91-2 7837 144208692 A A Glycidyl methacrylate CC(=C)C(=O)OCC1CO1 Tox21_201494 -NCGC00091351-03 196705888 tox21-ror-cho-viability-p1 set1 4 2.9377897 2.74784347 0.46795484 -5.59368268 -0.88143817 -2.33213894 -2.4339866 0.93675838 -1.51728069 -0.14554304 -0.23394636 1.09110045 7.86358525 0.1524282 -3.10082379 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00090962-05 196705893 tox21-ror-cho-viability-p1 set1 4 0.41017727 -1.27193815 -4.34646739 -0.41579683 1.65597388 2.09543499 2.5126902 0.30802025 -11.79144836 5.24881544 2.65696402 4.03627078 0.35198722 -1.68841082 -2.36288263 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00259827-01 196705895 tox21-ror-cho-viability-p1 set1 -2.4 53.8184779572 -25.8550025319 0 -25.8550025319 3.1924983358 0.824399941 0.0045770687 1.1870059 -8.93021991 -0.31773184 0.21873058 1.30428606 1.50177462 0.79023903 0.75830634 -1.19447348 3.02911657 -1.02958853 1.66121505 -0.52077088 -7.46411634 -21.96250211 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.265E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.000008162 0.00001825 0.00004081 0.00009125 673-84-7 5368821 144209476 FNS 2,6-Dimethyl-2,4,6-octatriene C\C(C)=C\C=C\C(\C)=C\C Tox21_202278 -NCGC00259973-01 196706290 tox21-ror-cho-viability-p1 set1 4 0.80606753 6.72924233 0.31773283 4.7158115 2.56896775 3.32022384 2.6346978 -2.47598748 -3.17496747 8.88960615 -0.87440448 -7.0036183 -2.51544712 -0.58979089 -0.50440014 1.1919999999E-9 2.6649999999E-9 5.96E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.332E-7 7.45E-7 0.0000016659999999 0.000003725 0.000008329 0.00001862 0.00004164 0.00009312 311-45-5 9395 144209622 A A Paraoxon [O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1 Tox21_202424 -NCGC00259046-01 196706297 tox21-ror-cho-viability-p1 set1 -3 61.5659893405 -55.1267989246 0.3032826259 -54.8235162987 4.9549173134 0.9132977401 0.0001564096 0.71499373 -5.88137156 0.99211187 4.45425682 0.35306653 -1.83556854 -1.38373339 -1.06023674 -6.44920719 8.29771636 5.60293152 0.54561018 -2.58644427 -6.15625641 -48.66945738 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.4829999999E-7 3.317E-7 7.417E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.00004146 0.000092709999999 50-29-3 3036 144208693 A A p,p'-DDT Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl Tox21_201495 -NCGC00091532-04 196706303 tox21-ror-cho-viability-p1 set1 -2.2 27.6395842712 -43.651664125 2.6440691044 -41.0075950206 1.6258976909 0.9463064393 0.0000124132 2.6362167 6.91509338 0.87859044 4.64695116 6.55140639 0.3395891 0.03049266 -0.49339177 4.99094593 0 0.42273619 -5.86250075 -10.00740619 -22.87194955 -40.20352453 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00259208-01 196706304 tox21-ror-cho-viability-p1 set1 4 0.18186284 -6.67503849 -5.27866062 4.97888297 4.3380842 0.35519649 -5.05978835 2.69538412 0.44899443 -9.71978891 1.19839182 0.40712675 0.11513493 3.22199509 0.75098054 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.552E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.0000036629999999 0.00000819 0.00001831 0.00004095 0.000091569999999 100-21-0 7489 144208857 A A Terephthalic acid OC(=O)c1ccc(cc1)C(=O)O Tox21_201659 -NCGC00259327-01 196706311 tox21-ror-cho-viability-p1 set1 4 4.8804741913 -6.0350665679 6 -0.0350665679 4.4494702849 0.3740807565 0.2978194842 6.54634639 2.01136273 8.69183456 8.85467035 6.71384277 2.96261042 0.48622446 4.0569585 5.95538408 16.26483967 3.93695429 0.47084281 0.51989877 0.39490472 -1.27922214 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.962E-8 6.622E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 111-20-6 5192 144208976 A A Decanedioic acid O=C(O)CCCCCCCCC(=O)O Tox21_201778 -NCGC00260358-01 196723972 tox21-ror-cho-viability-p1 set3 4 -6.08650326 -1.43840883 0.60926302 0.38417766 6.39637164 4.00482044 -2.22253068 0.77951148 2.62519411 -10.51845351 -2.59710298 -12.39417359 -1.79631151 -1.95372562 8.32363484 1.219E-9 2.7269999999E-9 6.097E-9 1.3629999999E-8 3.049E-8 6.817E-8 1.524E-7 3.408E-7 7.621E-7 0.000001704 0.0000038109999999 0.000008521 0.00001905 0.0000426 0.000095269999999 2009-83-8 74828 144210010 A A 6-Chlorohexan-1-ol ClCCCCCCO Tox21_202812 -NCGC00090686-07 196723552 tox21-ror-cho-viability-p1 set3 -2.4 9.6885416101 -31.376118868 12 -19.376118868 0.4 0.7056523221 0.0355988574 8.48322884 12.86471865 4.14784007 18.96688797 13.57845224 6.05190676 -3.16152823 8.20006086 4.02713191 5.11665571 -2.23010801 -4.69468327 -2.02975981 -7.09713969 -12.81343239 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00178238-05 196723568 tox21-ror-cho-viability-p1 set3 4 0.0008412674 -38.124270108 46.124270108 8 0.3 0.3869047214 0.3004265825 35.13773923 18.7083116 21.31355735 15.14699267 35.3002501 9.01415381 16.35686556 14.45238069 3.55485702 17.36301373 14.15729092 10.46174459 13.46384372 13.53400591 25.97623407 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3092-17-9 18340 170464672 A Midodrine hydrochloride Cl.COc1ccc(cc1C(O)CNC(=O)CN)OC Tox21_110529_1 -NCGC00260070-01 196723966 tox21-ror-cho-viability-p1 set3 -1.1 9.6885416101 -84.7728812022 -7.654546114 -92.4274273162 2.4063783767 0.9603087662 0.0000023444 -11.8089603 -12.06978154 -8.90837141 -4.91724915 0.86489456 -6.3128979 0.7221203 -10.64888121 -24.82572365 -4.74976876 -9.16013418 -47.15998837 -77.46365122 -84.76933669 -95.68056658 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 2437-29-8 2724411 144209719 D Malachite green oxalate C/[N+](C)=C1\C=C/C(C=C1)=C(/c2ccccc2)c3ccc(cc3)N(C)C.[O-]C(=O)C(=O)O.[O-]C(=O)C(=O)O.O=C(O)C(=O)O.CN(C)c1ccc(cc1)C(\c2ccccc2)=C3/C=C/C(C=C3)=[N+](/C)C Tox21_202521 -NCGC00357055-01 196723976 tox21-ror-cho-viability-p1 set3 4 -10.11524715 2.15558147 3.50201932 -5.77693663 0.0850127 -5.83277973 -2.40575216 -1.08840424 2.16479269 2.47048991 2.86781857 -6.6413204 1.48170698 -3.50731228 -11.8283155 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84-15-1 6766 251919831 A o-Terphenyl c1cc(ccc1)c3ccccc3c2ccccc2 Tox21_303755 -NCGC00260438-01 196723984 tox21-ror-cho-viability-p1 set3 4 0.0559820405 5.7628016559 -5.2628016559 0.5 1.287561 0.6063050691 0.0941665053 -1.92765458 -7.71900138 -6.16131226 -4.98188697 -2.52412548 -1.93457761 -1.61550194 0.65046595 -0.82455127 -0.38940848 4.75884596 1.46250033 -2.24953461 -0.75754327 -0.10051027 1.2069999999E-9 2.699E-9 6.0359999999E-9 1.3499999999E-8 3.0179999999E-8 6.7479999999E-8 1.509E-7 3.3739999999E-7 7.5449999999E-7 0.000001687 0.0000037719999999 0.000008435 0.00001886 0.00004218 0.00009431 88-23-3 6927 144210090 A A 6-Amino-4-chloro-1-phenol-2-sulfonic acid OS(=O)(=O)c1cc(Cl)cc(N)c1O Tox21_202892 -NCGC00260206-01 196723991 tox21-ror-cho-viability-p1 set3 -2.1 27.3615673809 -99.9184551046 -0.5292072319 -100.4476623365 2.4729283767 0.9720983924 3.211E-7 -4.44903784 2.66362559 7.36334607 -1.91157865 6.16383172 4.43722222 -0.29151033 -9.35772957 -5.37312143 -3.43917463 0.83673972 -14.10724723 -24.54278716 -73.72890535 -98.47810033 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004128 0.00009231 404001-49-6 60196379 144209856 A A 1-Methyl-3-tetradecylimidazolium bis(trifluoromethylsulfonyl)imide FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C[n+]1ccn(CCCCCCCCCCCCCC)c1 Tox21_202658 -NCGC00254182-01 196699924 tox21-ror-cho-viability-p1 set1 4 3.71353302 2.72868642 0.82730292 3.26292436 0.29829346 0.53364259 -0.59816493 2.15074563 -0.75465334 -0.66891916 2.17360805 2.50535199 0.41551268 0.22544682 2.07291235 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-08-1 7422 144210327 AC Ac 3-Nitrotoluene Cc1cc(ccc1)[N+](=O)[O-] Tox21_300007 -NCGC00254021-01 196699518 tox21-ror-cho-viability-p1 set1 -2.4 27.3060203028 -24.576394284 1 -23.576394284 4.9549173134 0.969054809 5.816E-7 2.55120927 1.70566131 1.00600097 0.23249201 2.72502796 -1.64824714 -0.07542794 3.93252692 -0.61748129 1.40364085 0.36934354 -0.36445855 -2.75999673 -21.1722815 -22.98032857 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-50-7 1732 144210374 A A 4-Chloro-3-methylphenol Oc1ccc(Cl)c(C)c1 Tox21_300054 -NCGC00254560-01 196699519 tox21-ror-cho-viability-p1 set1 4 34.3762428541 -8.2962646879 -1 -9.2962646879 2.9022712143 0.7206470112 0.0304047544 1.94369899 -3.20738042 -4.40465854 -1.39621227 -1.58506149 -0.80812788 -0.66621681 -1.39564736 -1.30662074 -0.74757311 0.64824115 -0.03525055 -2.48306775 -6.24575908 -8.99688724 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2683-43-4 75893 144210969 A Ac 2,4-Dichloro-6-nitroaniline Nc1c(cc(Cl)cc1Cl)[N+]([O-])=O Tox21_300652 -NCGC00254571-01 196699920 tox21-ror-cho-viability-p1 set1 4 -2.82106775 2.89986384 0.12806864 -0.14300808 0.71369191 -3.09026481 -0.24565946 -2.64892977 3.55081124 -4.69683866 0.18798241 0.23488255 3.33019389 -7.65136754 2.92579722 5.8929999999E-10 1.3179999999E-9 2.9459999999E-9 6.588E-9 1.4729999999E-8 3.2939999999E-8 7.366E-8 1.647E-7 3.683E-7 8.2349999999E-7 0.0000018409999999 0.000004118 0.000009207 0.000020589999999 0.00004604 56-38-2 991 144210980 A Ac Parathion S=P(Oc1ccc(cc1)[N+]([O-])=O)(OCC)OCC Tox21_300663 -NCGC00160537-04 196697779 tox21-ror-cho-viability-p1 set1 4 1.68702167 -4.83367986 -9.65151523 -1.438515 -0.87521749 0.3019206 1.71543983 3.2865564 -0.94866301 -2.86677355 -1.73565599 -0.69848331 -4.0462568 -6.08295807 -5.95111803 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00260029-01 196723920 tox21-ror-cho-viability-p1 set3 4 0.53386424 1.61861791 4.8240789 -1.54652641 -1.34136627 7.17239795 8.0742788 -0.87896669 1.82170375 1.97395551 3.2874094 0.73824032 4.40484566 2.0973113 8.27401186 1.095E-9 2.4489999999E-9 5.477E-9 1.225E-8 2.739E-8 6.124E-8 1.369E-7 3.062E-7 6.846E-7 0.0000015309999999 0.000003423 0.000007655 0.00001712 0.00003827 0.000085579999999 67-64-1 180 144209678 FC Acetone CC(C)=O Tox21_202480 -NCGC00357014-01 196723921 tox21-ror-cho-viability-p1 set3 4 5.1714190046 -14.508047008 0.5 -14.008047008 2.4063783767 0.6269085617 0.0918627196 -4.71266996 1.06246818 3.2084191 -3.676549 1.66190021 -0.19572585 6.13135683 1.07132529 -1.45817709 2.16861762 1.88386227 -3.22785212 -4.57826833 -12.50670584 1.03230168 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 17354-14-2 3766139 251919799 A 1,4-Bis(butylamino)anthracene-9,10-dione O=C2c1ccccc1C(=O)c3c2c(ccc3NCCCC)NCCCC Tox21_303986 -NCGC00356942-01 196723925 tox21-ror-cho-viability-p1 set3 4 0.0968854161 5.371467392 -4.371467392 1 4.4494702849 0.407465898 0.2661882234 -6.15683911 -2.66359488 -4.71284079 -3.39758584 -3.10239968 -7.80955616 6.03394387 -0.56938736 1.73106016 -4.5242899 4.16792227 -1.32520561 -1.54468836 -1.39720753 5.34101388 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6358-09-4 4679699 251919776 Ac 2-Amino-6-chloro-4-nitrophenol Nc1cc(cc(Cl)c1O)[N+]([O-])=O Tox21_303798 -NCGC00025357-04 196697780 tox21-ror-cho-viability-p1 set1 4 -4.73915383 2.69894824 -0.12478856 0.94810558 0.14812926 1.35509908 1.22878246 2.42277747 1.63035191 -0.44425412 2.83346282 4.04456782 0.28719602 0.05974057 1.87564059 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 65141-46-0 47528 170465582 A Nicorandil O=C(NCCO[N+]([O-])=O)c1cccnc1 Tox21_110968_1 -NCGC00017331-08 196698177 tox21-ror-cho-viability-p1 set1 4 -2.48906243 -1.96679786 -3.47789259 -2.2963309 -0.62234047 -2.38214085 -0.82810958 -2.13263767 -1.56056251 0.06973795 0.48104668 1.20416615 1.24774504 0.49476469 2.21131142 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 490-46-0 72276 170465932 A (-)-Epicatechin Oc1ccc(cc1O)[C@H]2Oc3cc(O)cc(O)c3C[C@H]2O Tox21_110101_1 -NCGC00022043-06 196698179 tox21-ror-cho-viability-p1 set1 4 1.55398044 -0.27851538 0.92592133 0.48845755 0.93070169 0.28769411 0.95910453 1.48336169 0.9941764 1.80476784 0.81234294 1.53524766 0.28599343 0.52576758 -5.54055204 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56-47-3 5952 170465334 A Deoxycorticosterone acetate CC(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_110876_1 -NCGC00160496-02 196698182 tox21-ror-cho-viability-p1 set1 4 1.00219191 -3.47725942 3.19313371 0.09616084 5.75601093 0.572873 1.83478891 1.5697548 1.51237326 0.88259467 -3.09875354 -4.31693807 0.28683732 1.64770733 -0.99331417 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 537-17-7 10832 170466269 A Amanozine Nc2ncnc(Nc1ccccc1)n2 Tox21_111855_1 -NCGC00249910-01 196698185 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -11.247789544 1.5 -9.747789544 4.0949729863 0.5729239572 0.1194289255 0.42200868 5.97302925 0.28403659 0.97649033 2.41052467 -0.5657932 3.23391528 -0.47679736 0.32388568 0.03143906 -0.89761238 4.31064995 1.26287169 0.0852172 -7.28982462 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 91618-36-9 71186 170466478 A F Ibafloxacine O=C(O)C3=CN1c2c(cc(F)c(C)c2CCC1C)C3=O Tox21_113686 -NCGC00259608-01 196721093 tox21-ror-cho-viability-p1 set3 4 38.0222891831 12.4144311159 -3.9144311159 8.5 2.4063783767 0.5218066386 0.16019148 -6.30298077 1.21625575 -4.48277454 -1.84546926 1.29920725 -7.01202593 -5.56600232 -5.56218036 -6.55303468 1.47371405 -6.8172901 -3.53193261 -3.39016782 3.2816812 6.92864952 1.166E-9 2.608E-9 5.832E-9 1.304E-8 2.9159999999E-8 6.5199999999E-8 1.458E-7 3.26E-7 7.2899999999E-7 0.0000016299999999 0.000003645 0.00000815 0.00001822 0.00004075 0.00009112 98-96-4 1046 144209257 A A Pyrazinamide NC(=O)c1cnccn1 Tox21_202059 -NCGC00091643-08 196720683 tox21-ror-cho-viability-p1 set3 4 0.0216899429 13.2776736599 -14.7776736599 -1.5 0.2 0.359496664 0.3133861133 -9.75707683 -12.31472805 -7.04927609 -5.58056467 -9.90235818 -11.268215 -7.13252337 -6.52194151 -4.66340695 -0.92987623 -5.48453391 0.03558111 -5.61649553 -8.85064406 -4.25420315 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00258944-01 196721087 tox21-ror-cho-viability-p1 set3 4 24.1386586932 10.8114929239 -5.3114929239 5.5 4.9549173134 0.7870889007 0.0104400555 -6.88947264 -5.34731885 -3.13205679 -6.64485125 -2.40764084 -7.34291077 -2.58961657 -6.63342171 -7.07229073 -3.43803329 -6.31571688 -3.69737543 -4.23191385 7.39171114 3.72749376 1.172E-9 2.621E-9 5.8609999999E-9 1.311E-8 2.931E-8 6.553E-8 1.465E-7 3.277E-7 7.327E-7 0.0000016379999999 0.0000036629999999 0.000008192 0.00001832 0.00004096 0.00009159 3056-17-5 18283 144208591 A A Stavudine CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@@H](CO)O2 Tox21_201393 -NCGC00259074-01 196721091 tox21-ror-cho-viability-p1 set3 4 -10.60122656 -2.65517414 2.29411052 -4.97028013 -6.42953933 -8.46825682 -8.51256945 -9.73697254 -11.35983342 -7.5151299 -7.52472185 -7.09819081 -5.93311624 -2.56183035 -7.96342848 1.18E-9 2.6389999999E-9 5.9009999999E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.299E-7 7.376E-7 0.000001649 0.000003688 0.0000082469999999 0.00001844 0.000041229999999 0.0000922 125-31-5 67172 144208722 A Fc p-Xylenol blue Cc1cc(c(C)cc1O)C3(OS(=O)(=O)c2ccccc23)c4cc(C)c(O)cc4C Tox21_201524 -NCGC00256152-01 196728749 tox21-ror-cho-viability-p1 set3 4 2.3577436 -2.75085648 3.40203665 -0.56419305 0.92785111 1.14639583 2.81283759 1.4041178 2.92520169 -0.89338981 2.61569791 -4.91393499 -4.99828367 0.09494387 0.45687452 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26896-48-0 160138 144211928 A I Tricyclodecanedimethanol OCC2CCC3C1CC(CC1CO)C23 Tox21_301611 -NCGC00255931-01 196728748 tox21-ror-cho-viability-p1 set3 4 5.4482673282 8.755939756 -2.755939756 6 4.9549173134 0.4182092354 0.2547065538 1.70874649 -2.54934546 -2.38897214 -0.87147951 -1.35037368 -2.20449906 -3.28694027 -7.73273312 6.18598259 -10.21328313 -5.43607182 7.9558006 -0.60286359 10.61021443 5.57351476 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 118-88-7 67054 144212582 A A 5-Amino-2-methylbenzenesulfonic acid Cc1ccc(N)cc1S(O)(=O)=O Tox21_302265 -NCGC00255388-01 196729149 tox21-ror-cho-viability-p1 set3 4 -2.62325173 2.86733214 -2.81988506 -1.30049404 11.44326346 -4.94181128 3.50974517 2.89185898 -0.36648065 13.17688137 15.89041932 15.54692726 -2.11201552 6.72774613 1.22896059 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 116255-48-2 3444 144212751 I I Bromuconazole BrC2CC(Cn1cncn1)(OC2)c3ccc(Cl)cc3Cl Tox21_302434 -NCGC00255510-01 196729155 tox21-ror-cho-viability-p1 set3 4 0.20872256 -1.80647682 -2.79501005 -0.68550148 -0.79873645 -0.73319593 2.25801601 -1.46368324 0.64743978 -1.68689388 1.68008605 -4.24297729 -3.26004641 2.23304877 0.16154333 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 142-87-0 23665771 144212399 Ac Sodium decyl sulfate [Na+].[O-]S(=O)(=O)OCCCCCCCCCC Tox21_302082 -NCGC00257532-01 196729156 tox21-ror-cho-viability-p1 set3 4 4.1048670435 -6.341169968 3.5 -2.841169968 4.9549173134 0.4078495376 0.6528362278 -24.93592392 3.68219286 2.79375229 6.05600667 -0.93071524 -0.02895258 3.80176794 9.07280972 -1.13924605 6.40841484 5.05176361 -4.86764164 -3.38384931 -0.02995251 1.04539434 9.3199999999E-10 2.084E-9 4.66E-9 1.042E-8 2.33E-8 5.2099999999E-8 1.165E-7 2.605E-7 5.825E-7 0.000001302 0.000002912 0.000006512 0.00001456 0.00003256 0.00007281 831-82-3 13254 144212507 A A 4-Phenoxyphenol Oc2ccc(Oc1ccccc1)cc2 Tox21_302190 -NCGC00255758-01 196710093 tox21-ror-cho-viability-p1 set2 4 -4.17061678 -0.31661749 -4.46665762 0.77111777 -2.03916165 -2.89744456 0.66915508 -4.7334869 -2.79706377 0.76889145 -1.28279324 0.73494559 -3.68621881 -3.34585472 1.13056153 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4394-85-8 20417 144212344 A Ac 4-Morpholinecarboxaldehyde O=CN1CCOCC1 Tox21_302027 -NCGC00255164-01 196710087 tox21-ror-cho-viability-p1 set2 4 -8.86988592 -6.66674193 -4.68033128 -0.64493423 -5.99315938 -7.32868701 -7.59121653 -5.83337498 -5.12973769 -0.94416954 -4.62781305 -6.08227879 0.74056085 -0.18268707 1.09032662 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60-41-3 22833295 144212334 A A Strychnine hemisulphate salt O=S(=O)(O)O.O=C2C[C@@H]6OCC=C5CN3CC[C@@]47c1ccccc1N2[C@H]7[C@H]6[C@H]5C[C@H]34.O=C2C[C@@H]7OCC=C6CN4CC[C@@]53c1ccccc1N2[C@H]3[C@H]7[C@H]6C[C@H]45 Tox21_302017 -NCGC00255530-01 196710086 tox21-ror-cho-viability-p1 set2 4 30.6378586933 -20.763547428 0 -20.763547428 1.3437170999 0.7448829743 0.0211154992 -9.62485602 1.45497618 2.46751106 0.81169817 1.72973941 3.76099758 0.66585812 0.79780195 -0.46618908 0.75499203 -4.38998806 -1.29829891 -7.92711024 -11.76460901 -17.30295619 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 633-96-5 44135675 144212405 A C.I. Acid Orange 7 [Na+].O=S([O-])(=O)c3ccc(/N=N/c1c2ccccc2ccc1O)cc3 Tox21_302088 -NCGC00256071-01 196710092 tox21-ror-cho-viability-p1 set2 4 0.1368542878 7.1018979199 -6.1018979199 1 1.372261 0.8039498383 0.0074735942 -5.07011058 -9.2515816 -2.73460097 -6.60446471 -5.31598963 -4.76218982 -0.95978033 -2.41313603 2.10530407 0.0878303 0.54679368 1.78701022 0.18694434 0.7817762 0.9975326 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17832-28-9 87329 144211993 D 4-(Ethenyloxy)butan-1-ol C=COCCCCO Tox21_301676 -NCGC00255205-01 196710101 tox21-ror-cho-viability-p1 set2 4 -2.41298431 3.62101283 4.10179152 2.23379048 4.21133513 0.87734311 -0.06784578 -2.23168943 3.28439847 2.66155413 -1.98113862 1.85254996 -0.30280884 0.19255052 4.72669771 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 598-55-0 11722 144211705 A Methyl carbamate NC(=O)OC Tox21_301388 -NCGC00255371-01 196710102 tox21-ror-cho-viability-p1 set2 -2.4 18.616270039 -31.480115532 -1 -32.480115532 0.6 0.9296792904 0.0000529349 1.02498618 -1.58148678 -2.1248455 0.21929529 -1.56893325 -0.97427693 -1.8894353 -3.60165753 -6.20822704 -9.97216295 -6.88387098 -7.4297466 -13.20010962 -17.91999028 -23.73342961 7.078E-10 1.583E-9 3.539E-9 7.9139999999E-9 1.77E-8 3.9569999999E-8 8.848E-8 1.9779999999E-7 4.424E-7 9.892E-7 0.000002212 0.000004946 0.00001106 0.00002473 0.000055299999999 16423-68-0 27872 144212402 Cc FD&C Red 3 [Na+].[Na+].[O-]C(=O)c4ccccc4C=2c3cc(I)c([O-])c(I)c3OC=1C=2C=C(I)C(=O)C=1I Tox21_302085 -NCGC00255631-01 196710108 tox21-ror-cho-viability-p1 set2 4 5.57807944 -0.57853717 1.47603198 1.45326144 0.08733273 0.04741596 0.56692216 6.13860214 0.17819661 5.29186978 0.69849335 1.70298147 4.95934596 1.77969474 6.04757413 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7681-82-5 5238 144211696 Sodium iodide I[Na] Tox21_301379 -NCGC00256727-01 196707546 tox21-ror-cho-viability-p1 set1 4 9.6885416101 11.0291035359 -11.5291035359 -0.5 2.2526478767 0.4957498335 0.1824688047 -18.3399617 -9.48430174 -8.32766637 -10.49600661 -6.9823307 -9.27554381 -9.81091066 -5.80227733 -20.85758628 -11.09909557 -14.11980247 -4.41279521 -3.82634347 -2.54637218 1.41724568 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2398-37-0 16971 144212929 A Ac 1-Bromo-3-methoxybenzene COc1cc(Br)ccc1 Tox21_302612 -NCGC00256383-01 196707144 tox21-ror-cho-viability-p1 set1 4 5.4482673282 11.863206236 -18.120770632 -6.257564396 4.9549173134 0.4781936875 0.2156228469 -13.75757041 -13.90822472 -13.84265486 -17.9284045 -20.98955155 -19.90257951 -18.41248513 -17.19885367 -20.23282389 -20.97995108 -21.76730886 -3.54797033 -9.03563081 -13.52195063 -13.68417539 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 608-73-1 727 144213242 F Fns 1,2,3,4,5,6-Hexachlorocyclohexane ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl Tox21_302925 -NCGC00257335-01 196707145 tox21-ror-cho-viability-p1 set1 4 -15.24879026 -12.50206413 -7.76086789 0.99854172 -17.5774552 -12.49163493 -10.80476838 -13.17748374 -11.64190505 -8.49477063 -10.10052682 -5.44722231 -4.96253213 -12.69667987 -12.93530179 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2467-03-0 75576 144213822 A A 2-(4-Hydroxybenzyl)phenol Oc2ccccc2Cc1ccc(O)cc1 Tox21_303514 -NCGC00257512-01 196707542 tox21-ror-cho-viability-p1 set1 4 1.62609392 4.52632741 1.58909946 -3.68238262 -2.39134863 -0.83431225 -1.71778802 -1.05419418 4.32006112 13.8051866 -2.91441556 -1.66920832 -1.50526523 -0.86182173 -1.12642407 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-83-9 8345 144213855 A A Bis(2-butoxyethyl) phthalate O=C(OCCOCCCC)c1ccccc1C(=O)OCCOCCCC Tox21_303550 -NCGC00256690-01 196707548 tox21-ror-cho-viability-p1 set1 4 0.0021689943 -8.7919557519 -5.48882156 -14.2807773119 3.0654483358 0.391667793 0.2991409415 -6.6573513 -11.20077802 -14.83643026 -17.03772081 -16.89153032 -12.13586182 -13.76305873 -9.875478 -13.35272219 -18.15064776 -16.03546917 -17.14291756 -9.34004955 -12.978448 -6.8711765 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 644-08-6 12566 144212927 A Ac 4-Phenyltoluene Cc1ccc(cc1)c2ccccc2 Tox21_302610 -NCGC00256395-01 196707549 tox21-ror-cho-viability-p1 set1 4 0.7656767151 -21.568909228 -2.252441504 -23.821350732 0.3 0.5587397638 0.144158024 -11.6618634 -4.5762477 -0.21036792 -12.14340477 -12.09191658 -6.63828497 -3.34998777 -13.13214659 -15.23489472 -13.6919971 -15.91622074 -17.24819746 -18.60112561 -17.75380642 -12.78737239 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.000018359999999 0.000041049999999 0.000091779999999 99-57-0 3613389 144213105 A A 2-Amino-4-nitrophenol Nc1cc(ccc1O)[N+]([O-])=O Tox21_302788 -NCGC00258839-01 196705914 tox21-ror-cho-viability-p1 set1 4 0.0773503032 8.538702892 -10.538702892 -2 0.7999999999 0.4200298019 0.2533188934 -10.78627044 -6.74444973 -10.63514732 -12.53225241 -6.37173783 -8.83820026 1.75574736 -7.08610922 -6.02396445 -7.76366972 6.25491634 -4.3000965 0.27499536 -2.49204903 -3.49880551 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.961E-8 6.622E-8 1.481E-7 3.311E-7 7.4029999999E-7 0.000001655 0.000003702 0.0000082769999999 0.00001851 0.00004138 0.00009254 929-06-6 13578 144208485 A B 2-(2-Aminoethoxy)ethanol NCCOCCO Tox21_201287 -NCGC00259316-01 196705900 tox21-ror-cho-viability-p1 set1 4 6.56068143 7.57130439 6.54175064 9.24272919 5.95966385 5.50799883 1.45825025 1.01287287 -0.25445936 0 -0.41281547 0.60702817 0.12873488 1.64538778 -0.67982072 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003707 0.0000082899999999 0.00001854 0.00004145 0.00009268 298-81-7 4114 144208965 A A 8-Methoxypsoralen COc1c3occc3cc2C=CC(=O)Oc12 Tox21_201767 -NCGC00259527-01 196705902 tox21-ror-cho-viability-p1 set1 4 -0.32969452 8.73189191 -3.72055649 0.42332899 2.30107234 2.41306041 -0.47272888 2.50109238 -9.85929318 0.84146788 0.88482193 2.34463627 -1.17399219 0.35421916 2.2416848 1.2459999999E-9 2.7859999999E-9 6.23E-9 1.393E-8 3.115E-8 6.966E-8 1.5579999999E-7 3.4829999999E-7 7.788E-7 0.000001741 0.000003894 0.000008707 0.000019469999999 0.00004354 0.00009735 3268-49-3 18635 144209176 A A 3-(Methylthio)propanal O=CCCSC Tox21_201978 -NCGC00258999-01 196705904 tox21-ror-cho-viability-p1 set1 4 39.0026498224 -16.304176732 2.5 -13.804176732 1.4487170999 0.4848007597 0.1924297131 0.93426102 1.53983828 7.05447304 -4.26528481 1.66303316 -0.15199436 1.1812622 2.86546986 1.18954305 14.18537603 1.545845 -1.01543147 -2.84380178 -4.57035077 -11.50348061 1.191E-9 2.663E-9 5.954E-9 1.331E-8 2.977E-8 6.657E-8 1.489E-7 3.3279999999E-7 7.4429999999E-7 0.0000016639999999 0.000003721 0.0000083209999999 0.00001861 0.000041609999999 0.00009303 42874-03-3 39327 144208646 A A Oxyfluorfen Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F Tox21_201448 -NCGC00258905-01 196705919 tox21-ror-cho-viability-p1 set1 -2.2 30.3265518896 -45.490183323 -3.545893779 -49.036077102 1.4641 0.8770999953 0.0008845013 -3.74745808 5.35094009 -7.21434863 -6.83446702 0.22423668 -8.48810816 -1.53333847 -3.80374912 -1.6222612 -10.59340914 -10.98076982 -3.62713298 -17.44652278 -34.03696129 -40.1079977 1.1699999999E-9 2.617E-9 5.852E-9 1.3089999999E-8 2.926E-8 6.543E-8 1.463E-7 3.2719999999E-7 7.315E-7 0.0000016359999999 0.000003658 0.0000081789999999 0.00001829 0.000040889999999 0.000091439999999 83-26-1 6732 144208551 A C Pindone CC(C)(C)C(=O)C2C(=O)c1ccccc1C2=O Tox21_201353 -NCGC00259945-01 196706320 tox21-ror-cho-viability-p1 set1 4 68.4501412252 -20.891319236 2 -18.891319236 3.2974983358 0.4824602729 0.1945597148 2.83727601 4.22163465 -0.5765658 -0.12571007 0.48314316 0.77560481 2.16593377 -0.02457903 3.27570503 14.97389556 -0.69396485 -0.04427221 -3.38794477 -0.78396779 -13.24276603 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.3169999999E-8 2.944E-8 6.583E-8 1.472E-7 3.291E-7 7.3599999999E-7 0.0000016459999999 0.00000368 0.000008228 0.000018399999999 0.000041139999999 0.000092 116-29-0 8305 144209594 A F Tetradifon Clc1cc(c(Cl)cc1Cl)S(=O)(=O)c2ccc(Cl)cc2 Tox21_202396 -NCGC00254231-01 196699476 tox21-ror-cho-viability-p1 set1 4 -5.34471386 -3.11176106 -3.19682625 -2.15457247 -1.76265931 -1.46136582 1.1876517 -0.84260779 -1.05316606 -0.90613033 -2.98213434 -3.18233983 0.67875157 -3.23109229 -0.09217893 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 344930-95-6 9872438 144210567 A A SSR69071 CC(C)c1cc(cc5c1C(=O)N(COC3=CC(=O)N4C=CC=C(OCCN2CCCCC2)C4=N3)S5(=O)=O)OC Tox21_300247 -NCGC00254413-01 196699072 tox21-ror-cho-viability-p1 set1 4 0.47203323 3.69230788 0.46830708 -0.43491926 0.30229623 5.05942127 2.28557883 2.8629925 2.72711386 3.03856071 -0.70305568 1.28489981 5.71793651 1.07347323 4.16266484 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5915-41-3 22206 144210907 A A Terbutylazine Clc1nc(NCC)nc(NC(C)(C)C)n1 Tox21_300590 -NCGC00254834-01 196699077 tox21-ror-cho-viability-p1 set1 4 2.982174206 11.369028896 -1.369028896 10 3.5117481694 0.6899565459 0.0433651476 -1.56225001 -0.89571973 1.62073839 -2.54626781 0.77312728 -0.49312042 -2.91587774 -1.81606565 -1.18337684 -4.05752408 -2.37560985 3.29037208 -1.37814487 0.33959081 11.08076749 6.488E-11 1.451E-10 3.244E-10 7.2539999999E-10 1.622E-9 3.627E-9 8.1109999999E-9 1.814E-8 4.055E-8 9.0679999999E-8 2.028E-7 4.534E-7 0.000001014 0.0000022669999999 0.000005069 110-95-2 8084 144211249 FNS N,N,N',N'-Tetramethyl-1,3-propanediamine CN(C)CCCN(C)C Tox21_300932 -NCGC00254150-01 196699081 tox21-ror-cho-viability-p1 set1 4 0.43331204 -0.17807017 -0.23122539 -4.35624832 -7.92366432 0.22256686 -0.13670402 -4.23202737 -0.17255117 0.29117174 -5.26088302 -0.11703878 -0.04462527 -0.17275346 0.27357931 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 461023-63-2 6918686 144210531 A A Aplaviroc hydrochloride Cl.O=C(O)c1ccc(cc1)Oc2ccc(cc2)CN3CCC4(CC3)C(=O)N[C@@H](C(=O)N4CCCC)[C@H](O)C5CCCCC5 Tox21_300211 -NCGC00255982-01 196701167 tox21-ror-cho-viability-p1 set1 4 -0.35232576 0.46604061 -1.81124702 0.08385607 2.17616714 3.78874356 0.63289202 0.21989451 0.14942879 5.8056893 2.86616201 1.78005518 2.26131371 4.61741894 1.45600548 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4726-14-1 20848 144212218 A A Nitralin O=S(C)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_301901 -NCGC00255709-01 196700355 tox21-ror-cho-viability-p1 set1 4 -1.63732706 -7.19597085 -5.10980526 -1.33562669 -0.4577134 -1.32164712 -4.36241556 -0.97480312 -0.47737509 -1.40795481 0.56482916 0.15800332 -0.59654471 -1.77671305 -2.69131062 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4128-37-4 20084 144212292 A A 1,3-Dipropan-2-ylurea CC(C)NC(=O)NC(C)C Tox21_301975 -NCGC00255551-01 196700758 tox21-ror-cho-viability-p1 set1 4 0.33054385 -2.2903024 -2.07963458 0.47086946 4.97158591 1.70689432 1.9336872 5.39699736 2.26101622 1.81505237 4.50985206 4.012506 2.46041608 7.39083453 1.70939948 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 650-51-1 23681045 144211630 Sodium trichloroacetate [Na+].ClC(Cl)(Cl)C([O-])=O Tox21_301313 -NCGC00255409-01 196700774 tox21-ror-cho-viability-p1 set1 -1.1 7.911301815 -72.6827075558 -2.3673317209 -75.0500392767 1.24751 0.9934748485 1E-10 -0.21188075 -5.82265507 -1.46947979 -1.71583622 -1.34553612 -1.2889066 -6.6098075 -1.94167906 -5.58341792 -7.82688302 -24.92306251 -38.18387556 -54.27205193 -66.82180062 -71.34262896 1.097E-9 2.4529999999E-9 5.486E-9 1.2269999999E-8 2.7429999999E-8 6.133E-8 1.371E-7 3.0669999999E-7 6.857E-7 0.0000015329999999 0.0000034289999999 0.000007667 0.00001714 0.000038329999999 0.000085709999999 115-39-9 8272 144212397 A Bromophenol blue Brc1cc(cc(Br)c1O)C3(OS(=O)(=O)c2ccccc23)c4cc(Br)c(O)c(Br)c4 Tox21_302080 -NCGC00255507-01 196701170 tox21-ror-cho-viability-p1 set1 4 -4.60148379 3.21256596 -2.18499683 -2.71749228 -2.08652612 -2.14463963 5.44780686 -13.04043301 4.21672642 0.52081035 -2.96179857 -1.19382639 -0.33958974 -1.14755007 -2.78866982 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58430-94-7 42745 144212198 A F 3,5,5-Trimethylhexyl acetate O=C(C)OCCC(C)CC(C)(C)C Tox21_301881 -NCGC00257906-01 196701596 tox21-ror-cho-viability-p1 set1 -2.2 38.9240682694 -61.5706675844 -6.604610896 -68.1752784804 1.0999999999 0.795405633 0.0087224659 -6.54661959 -16.2828565 -1.71969967 6.2432331 -10.28803646 0.55118534 -11.87151061 -10.13259335 -5.20521926 -20.23346276 -12.70118724 -18.1456801 -21.77105195 -29.96745758 -59.80287586 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.000092909999999 70-34-8 6264 144207550 A B 1-Fluoro-2,4-dinitrobenzene Fc1ccc(cc1[N+](=O)[O-])[N+]([O-])=O Tox21_200352 -NCGC00258454-01 196701601 tox21-ror-cho-viability-p1 set1 4 -0.1069208 0.36486832 -2.54667355 -3.86016568 3.29377278 -1.49715325 -3.37964524 -8.55296554 -0.44812121 -0.42117798 0.84557763 -3.69457741 -4.29745224 4.6053443 1.10800019 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.613E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.00001848 0.00004133 0.00009242 29676-71-9 34665 144208098 FNS 2-Amino-4-thiazoleacetic acid OC(=O)Cc1csc(N)n1 Tox21_200900 -NCGC00258733-01 196702000 tox21-ror-cho-viability-p1 set1 4 1.08814729 1.76003161 -1.37545202 4.83593783 2.2697466 7.02146501 1.62655015 1.68167214 3.12575416 0.39339678 6.613676 0.97909895 3.65690346 4.10564719 4.62355012 1.1739999999E-9 2.625E-9 5.87E-9 1.3129999999E-8 2.9349999999E-8 6.5629999999E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003669 0.000008203 0.00001834 0.00004102 0.000091709999999 2645-07-0 17549 144208379 A A 4-Nitrohippuric acid O=[N+]([O-])c1ccc(cc1)C(=O)NCC(=O)O Tox21_201181 -NCGC00247677-01 196723127 tox21-ror-cho-viability-p1 set3 4 -23.42317307 -37.79191578 18.02914793 -34.11306077 -35.81591599 15.03496123 17.30205132 14.54733615 -10.28481795 -20.30785195 -13.58846734 -18.44663769 -21.36933223 -19.10706696 -10.3954226 2.959E-9 6.6169999999E-9 1.48E-8 3.309E-8 7.398E-8 1.6539999999E-7 3.699E-7 8.272E-7 0.00000185 0.000004136 0.0000092479999999 0.00002068 0.00004624 0.0001034 0.00023119999999 133005-40-0 60196312 144206379 A A (+)-Metazocine fumarate (2:1) O=C(O)/C=C/C(=O)O.Oc2ccc3C[C@H]1[C@H](C)[C@](C)(CCN1C)c3c2.Oc2ccc3C[C@H]1[C@H](C)[C@](C)(CCN1C)c3c2 Tox21_112826 -NCGC00255023-01 196699424 tox21-ror-cho-viability-p1 set1 4 -1.33628644 -3.58167866 -0.86513151 -1.46202924 1.57990752 -9.48097453 0.07794576 -9.5767613 3.17939197 0.60328557 3.03051807 -0.52002013 1.19980083 0.28039702 0.88544503 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2235-00-9 75227 144211441 F 1-Ethenylazepan-2-one C=CN1CCCCCC1=O Tox21_301124 -NCGC00254907-01 196699448 tox21-ror-cho-viability-p1 set1 4 -5.66436104 3.09336585 -0.90212491 -5.3508026 -3.3440299 -3.91705264 -5.96884369 2.28197095 -3.36009216 -0.25499501 -2.71086611 4.93873015 0.36190335 -3.52163586 4.67784369 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-33-8 8046 144211322 A Fc Dihexyl hexanedioate O=C(CCCCC(=O)OCCCCCC)OCCCCCC Tox21_301005 -NCGC00254635-01 196699449 tox21-ror-cho-viability-p1 set1 4 1.03230155 3.00548782 -0.32515435 1.07966522 0.36691953 1.27235658 1.78242998 3.11176593 8.94596361 3.4380402 0.67695558 -2.85983007 0.08066166 2.02540912 4.98623697 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 136-45-8 8693 144211046 A A Dipropyl 2,5-pyridinedicarboxylate O=C(OCCC)c1cnc(cc1)C(=O)OCCC Tox21_300729 -NCGC00018302-07 196722715 tox21-ror-cho-viability-p1 set3 2.4 33.4914596268 25.006599592 0.993400408 26 4.9549173134 0.7793558639 0.011956467 -0.77869044 1.04512123 -0.05116161 2.0081547 -0.02176639 -0.29249247 -0.29746056 -1.18028299 -5.00549966 6.03554444 3.10625798 1.53196404 6.59238129 0.17868219 22.41263124 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 133-67-5 5560 170464812 A Trichlormethiazide NS(=O)(=O)c2cc1c(NC(NS1(=O)=O)C(Cl)Cl)cc2Cl Tox21_110421_1 -NCGC00015227-08 196723108 tox21-ror-cho-viability-p1 set3 4 19.76076337 -5.96796783 16.2317857 13.6602548 6.51030067 15.8977072 14.91879378 15.34763812 -1.92836863 20.15812908 18.84109488 15.56791293 -4.43286994 1.48612949 23.37113569 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5502-69-2 60196361 170466889 C Dexchlorpheniramine hydrochloride Cl.Clc1ccc(cc1)[C@H](CCN(C)C)c2ccccn2 Tox21_113570_1 -NCGC00015529-15 196723116 tox21-ror-cho-viability-p1 set3 4 0.5955717307 13.9221933801 2.0778066199 16 0.7999999999 0.5562248807 0.1304264403 1.26798174 -0.56837688 1.73137271 8.1874615 5.80791441 4.44694652 0.32895039 -1.18516115 13.88931997 7.68415755 19.84770312 11.89767384 9.11013012 10.81440533 19.8332621 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15687-27-1 3672 170464979 Ac Ibuprofen lysine CC(C(=O)O)c1ccc(CC(C)C)cc1 Tox21_110170_1 -NCGC00163953-03 196723534 tox21-ror-cho-viability-p1 set3 -2.4 61.130564862 -33.261559512 0.5 -32.761559512 4.0949729863 0.7836446791 0.011007485 1.41168082 -0.19947628 4.36241451 -0.33491708 0.11801469 0.05886193 7.63652257 4.22310843 -5.55669848 1.86186177 0.16735866 2.50503977 -8.76264111 -3.78330409 -27.71796626 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00163735-04 196723953 tox21-ror-cho-viability-p1 set3 4 12.9325917356 -14.4777908999 0 -14.4777908999 3.9294729863 0.775892548 0.0127284749 -3.31468048 -3.61299662 -1.15011605 -3.19743758 0.4375021 -1.9217409 5.20544584 3.24907572 2.3041941 -0.61762961 -0.47147159 -1.55107279 -13.09270713 -18.31482575 -9.75194186 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00258342-01 196723954 tox21-ror-cho-viability-p1 set3 -2.2 15.1525256308 -44.7506891114 -3.664676661 -48.4153657724 1.9673362061 0.9056489426 0.0004459942 -10.62426866 0.80179254 -2.65915217 -2.74532289 -4.84413375 -0.79904032 -2.09994517 -9.98864916 -6.62786402 -5.86901174 -1.51177735 -10.05576942 -34.45360646 -40.84497407 -12.78115991 1.167E-9 2.609E-9 5.835E-9 1.305E-8 2.917E-8 6.524E-8 1.459E-7 3.262E-7 7.294E-7 0.000001631 0.0000036469999999 0.0000081549999999 0.00001823 0.00004077 0.00009117 52417-22-8 2723598 144207986 A A 9-Aminoacridine, monohydrochloride, monohydrate Cl.O.Nc1c3ccccc3nc2ccccc12 Tox21_200788 -NCGC00260061-01 196723958 tox21-ror-cho-viability-p1 set3 4 -2.51115708 6.72072328 0.32282361 4.58697441 7.00887224 0.33951878 1.33984905 -4.64035422 4.43235097 2.2344116 3.00863784 3.99065954 -4.91454801 -0.00188658 9.11656841 1.185E-9 2.6499999999E-9 5.9249999999E-9 1.325E-8 2.9629999999E-8 6.625E-8 1.481E-7 3.312E-7 7.406E-7 0.000001656 0.0000037029999999 0.000008281 0.00001852 0.0000414 0.00009258 141-78-6 8857 144209710 F Ethyl acetate CC(=O)OCC Tox21_202512 -NCGC00260483-01 196711345 tox21-ror-cho-viability-p1 set2 4 68.4501412252 16.839698752 1.160301248 18 3.1319983358 0.8649020119 0.0014206764 0.16166123 -0.18994309 -0.69974896 2.81477215 0 2.52677258 0.28283946 1.67735728 0.58842757 0.91359654 3.03271288 3.16863204 -0.02660724 4.43264026 13.6005265 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 611-09-6 4669250 144210135 A A 5-Nitroisatin [O-][N+](=O)c1cc2c(cc1)NC(=O)C2=O Tox21_202937 -NCGC00260098-01 196711350 tox21-ror-cho-viability-p1 set2 -2.4 66.2630200793 -23.1125402239 -1.5 -24.6125402239 3.5117481694 0.8829602398 0.0007063221 -0.36786393 -0.88070108 -1.63708751 -1.25177799 -0.38888761 -1.1500284 0.10624746 -2.26832853 -0.59496842 -5.7762209 -0.07392692 -5.15412856 0 -6.3469595 -20.09378352 1.262E-9 2.823E-9 6.312E-9 1.4109999999E-8 3.156E-8 7.0569999999E-8 1.578E-7 3.529E-7 7.89E-7 0.000001764 0.0000039449999999 0.0000088209999999 0.00001973 0.000044109999999 0.00009863 101200-48-0 153909 144209747 A Tribenuron-methyl Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c2ccccc2C(=O)OC Tox21_202549 -NCGC00091009-05 196710938 tox21-ror-cho-viability-p1 set2 4 48.9356919594 -17.4015676639 -0.5 -17.9015676639 2.4063783767 0.8396302324 0.0031018054 -3.44570278 -1.3871009 -2.94608617 0.93176457 1.89103065 -2.78096263 -1.89647538 -0.4401356 0.15581778 0.14279956 1.53516674 -0.8626843 -1.66689444 -6.62217075 -14.08463972 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00260587-01 196711340 tox21-ror-cho-viability-p1 set2 4 -0.28900572 0.18153787 -1.33838594 -1.66017743 -7.65642929 -1.76345837 -28.85349448 -0.00148702 -0.32588887 -8.48070197 0.79462399 0 -16.59836423 -0.80427841 -9.02617049 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49483 144210240 M M NTP Mix36 CT1 2-EQP Tox21_203042 -NCGC00260294-01 196711760 tox21-ror-cho-viability-p1 set2 4 -1.12344896 -0.09925907 -9.37323077 -9.68403364 -2.85286425 0 -1.82741609 -7.368072 -4.97167851 -4.17112461 -1.82056765 -15.86615647 -13.05343533 -6.80653086 -8.52000778 6.648E-11 1.486E-10 3.324E-10 7.4319999999E-10 1.662E-9 3.716E-9 8.31E-9 1.8579999999E-8 4.1549999999E-8 9.291E-8 2.077E-7 4.645E-7 0.000001039 0.000002323 0.000005194 563-72-4 33005 144209944 Ethanedioic acid, calcium salt (1:1) [Ca+2].[O-]C(=O)C([O-])=O Tox21_202746 -NCGC00357151-01 196711765 tox21-ror-cho-viability-p1 set2 4 3.70307172 0.62469523 0.59573914 4.15942409 1.71062917 2.43216632 1.20758579 1.73549602 1.04789056 1.94399388 5.24575567 -2.30544773 2.9836678 0.70685932 7.02293862 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-21-8 67114 251919653 A 4-(Diethylamino)benzaldehyde CCN(CC)c1ccc(cc1)C=O Tox21_303895 -NCGC00260660-01 196711766 tox21-ror-cho-viability-p1 set2 -2.4 10.5909294584 -33.708954764 1 -32.708954764 0.9999999999 0.9051533549 0.0002473013 1.95520507 -0.03405164 0.32363653 1.73657883 -0.40159696 1.95624694 2.96083711 -1.14076718 -3.10282044 -0.19644261 2.66992564 -15.37515467 -13.21388458 -19.81128686 -27.67412897 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49556 144210313 M M NTP Mix26 AR2 2-EQP Tox21_203115 -NCGC00260243-01 196711769 tox21-ror-cho-viability-p1 set2 -2.2 13.5741653179 -61.5956347506 -0.305087895 -61.9007226456 1.21 0.9845103935 1.08E-8 -2.47035841 0.92911937 0.37241729 0.1488881 0.6251579 -0.38778024 0.79750672 -2.43854702 -4.00333302 -6.71770726 -5.8208712 -19.99720329 -40.98808151 -45.31014343 -57.12175958 1.172E-9 2.6199999999E-9 5.859E-9 1.31E-8 2.929E-8 6.55E-8 1.465E-7 3.275E-7 7.324E-7 0.0000016379999999 0.000003662 0.000008188 0.00001831 0.00004094 0.00009154 1906-79-2 15927 144209893 D 1-Ethylpyridinium bromide [Br-].CC[n+]1ccccc1 Tox21_202695 -NCGC00260445-01 196711770 tox21-ror-cho-viability-p1 set2 2.4 61.25491928 30.0254316 1.9745684 32 3.1319983358 0.9534387495 0.0000057321 0.44385697 0.20560252 -0.021193 3.37058319 1.77774376 3.59296787 0.85125049 2.66695824 1.24512754 1.85573376 1.27256474 5.16151666 2.74343588 8.83045375 25.57466382 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.61E-8 1.4779999999E-7 3.305E-7 7.3899999999E-7 0.0000016529999999 0.0000036949999999 0.000008263 0.00001848 0.00004131 0.000092379999999 636-26-0 720471 144210097 A A 5-Methyl-2-thiouracil CC1=CNC(=S)NC1=O Tox21_202899 -NCGC00015060-14 196711772 tox21-ror-cho-viability-p1 set2 3 60.7577547203 41.6323959519 -1.6323959519 40 2.9522712143 0.9283606872 0.0000582204 -0.05604373 -5.13184256 -4.55597897 1.5386708 0.05201553 0.86320467 -3.97049349 -0.04253318 0.04882722 -6.36032996 -0.21686229 -0.29595307 0.33408598 8.1237705 31.29685427 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00260397-01 196712166 tox21-ror-cho-viability-p1 set2 4 48.6565118999 20.6596260639 -5.6596260639 15 4.4494702849 0.5657919788 0.1227634673 -2.28347244 -3.39673401 -4.99026419 -3.2912693 -0.39757318 -3.33626503 -6.49821817 -4.4172476 -5.44732458 -18.88302172 -2.52742716 -5.8223074 -12.56809017 1.06730171 13.99868759 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.00009231 590-47-6 24884197 144210049 A Betaine monohydrate O.C[N+](C)(C)CC([O-])=O Tox21_202851 -NCGC00255918-01 196710526 tox21-ror-cho-viability-p1 set2 4 6.37587333 0.59147345 0.62592531 -0.85260763 -0.87256074 0.84872506 -0.66531054 1.68445311 -0.86890078 0.05660486 -0.35377467 2.29105711 2.3598358 1.76367287 1.6808216 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2631-40-5 17517 144211678 A A Isoprocarb O=C(Oc1ccccc1C(C)C)NC Tox21_301361 -NCGC00256581-01 196707575 tox21-ror-cho-viability-p1 set1 4 0.20212899 -2.27397852 -2.55285351 -0.37638619 -1.89834615 -5.16429567 4.04588165 -1.97944902 3.27934342 0.50217098 1.78949653 2.11891282 1.90329498 -1.51681634 3.89169864 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 389-08-2 4421 144213071 A A Nalidixic acid O=C(O)C2=CN(CC)c1nc(C)ccc1C2=O Tox21_302754 -NCGC00256659-01 196707565 tox21-ror-cho-viability-p1 set1 4 0.0766458749 -7.7608528879 -2 -9.7608528879 4.9549173134 0.4538663108 0.2214026437 0.11175085 -10.69355804 -2.58781621 -0.41789211 -1.50907147 -4.16995993 -13.82954933 -7.07668801 -16.05071074 -8.6342549 -8.2705407 -5.39219182 -9.07120343 -7.77721013 -12.39775689 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.2869999999E-7 7.351E-7 0.0000016439999999 0.0000036749999999 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 140923-17-7 10958189 144213938 A A Iprovalicarb CC(C)[C@H](NC(=O)OC(C)C)C(=O)NC(C)c1ccc(C)cc1 Tox21_303633 -NCGC00256424-01 196707573 tox21-ror-cho-viability-p1 set1 4 5.4482673282 10.659379316 -20.3962326879 -9.7368533719 4.9549173134 0.5968164982 0.0994002029 -13.39205133 -21.6336978 -17.79560675 -24.09093324 -19.95028439 -18.51125592 -19.12450842 -16.98784448 -26.16352724 -25.71409147 -21.76690205 -6.44737781 -9.53813556 -14.08765845 -10.81680938 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-10-3 985 144213283 A A Hexadecanoic acid O=C(O)CCCCCCCCCCCCCCC Tox21_302966 -NCGC00256728-01 196707994 tox21-ror-cho-viability-p1 set1 4 -15.32634164 -6.1238858 -14.64616489 -12.70016959 -14.3898613 -19.74176659 -12.06739109 -11.62915444 -21.4458093 -13.90014394 -18.03827769 -11.33129289 -17.33577242 -19.99770042 -17.12270395 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 474-86-2 223368 144212958 A A Equilin Oc3cc4CC=C1[C@H](CC[C@]2(C)C(=O)CC[C@@H]12)c4cc3 Tox21_302641 -NCGC00256823-01 196707998 tox21-ror-cho-viability-p1 set1 4 0.79316893 3.95144817 4.16212812 0.521182 1.74948278 4.32293944 4.51221348 7.09786282 13.17564339 0.30611203 0.02824276 8.98846537 4.89973666 6.14629326 12.03214962 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-05-9 7632 144212948 A A 2-Methyl-4-phenylbutan-2-ol CC(C)(O)CCc1ccccc1 Tox21_302631 -NCGC00257227-01 196708002 tox21-ror-cho-viability-p1 set1 2.4 61.130564862 22.774751648 0.725248352 23.5 2.3331733767 0.7642570282 0.0156170067 -6.06229304 -2.6535117 2.56597044 2.19199452 2.07678878 3.76543043 -0.91337902 0.07935492 0.71562791 3.49646812 1.23511652 0.94148757 2.24698207 6.45771023 17.3501277 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2426-08-6 17049 144213528 Fns Butyl glycidyl ether CCCCOCC1CO1 Tox21_303211 -NCGC00258852-01 196708404 tox21-ror-cho-viability-p1 set2 -3 68.241009061 -38.81046446 -1.5 -40.31046446 4.9549173134 0.8950336414 0.0004108972 -3.10741828 1.75156908 1.73871896 -1.9207516 2.85273121 -2.17696956 0.74287881 -4.71541604 -2.64539906 -5.88993931 0.97060159 -2.21207038 -5.16208795 -1.22859019 -33.17538705 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.000018359999999 0.000041049999999 0.000091779999999 77501-63-4 62276 144208498 A A Lactofen Clc2cc(ccc2Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+]([O-])=O)C(F)(F)F Tox21_201300 -NCGC00259173-01 196708417 tox21-ror-cho-viability-p1 set2 4 0.83760656 -0.04566924 -1.96216509 0.13415378 -0.97223997 -0.61904784 -1.23924317 0.70312422 0.16822282 0.73351397 3.00298563 -0.25513904 5.75635659 3.26013124 3.24884792 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 91-76-9 7064 144208822 A A 6-Phenyl-1,3,5-triazine-2,4-diamine Nc1nc(nc(N)n1)c2ccccc2 Tox21_201624 -NCGC00259441-01 196708418 tox21-ror-cho-viability-p1 set2 4 -0.54042376 -0.9910992 -2.10309062 -2.26560549 0.15427975 -0.93734532 -2.93553162 -1.11809106 -0.57485386 -0.76520531 0.86353081 0.78795234 -1.05460248 0.80332926 0.30038941 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004132 0.0000924 67-47-0 237332 144209090 A A 5-(Hydroxymethyl)-2-furfural O=Cc1ccc(CO)o1 Tox21_201892 -NCGC00258740-01 196702846 tox21-ror-cho-viability-p1 set1 4 -3.23840507 -7.12208354 -1.3235282 -3.27024417 -1.29649873 0.57171949 -2.80373466 -4.03521711 -3.32124637 2.24171055 -3.60418097 1.71263638 1.34748985 -0.91497512 -3.87963156 1.2169999999E-9 2.7209999999E-9 6.084E-9 1.36E-8 3.042E-8 6.802E-8 1.521E-7 3.401E-7 7.604E-7 0.0000016999999999 0.0000038019999999 0.000008502 0.00001901 0.00004251 0.00009506 6863-58-7 23294 144208386 FNS Bis(2-butyl) ether CC(CC)OC(C)CC Tox21_201188 -NCGC00258684-01 196702423 tox21-ror-cho-viability-p1 set1 4 -1.67455543 2.943747 4.95254532 1.62837812 4.31094223 -2.25342947 1.7919674 4.02854377 0.09555112 4.98828802 4.78376389 -1.74689705 10.35211602 4.41776226 3.41348151 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.299E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.00001844 0.00004124 0.00009222 80-52-4 6650 144208330 A A 1,8-Diamino-p-menthane CC1(N)CCC(CC1)C(C)(C)N Tox21_201132 -NCGC00163906-02 196702834 tox21-ror-cho-viability-p1 set1 4 -8.01530109 -4.98542262 -4.30295462 -4.18647627 -5.56447472 -2.49881717 -12.8882034 -12.69805002 -2.71022368 -7.34270488 -11.92194212 -6.96427336 -12.12540351 -7.41636612 -10.07915337 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00257760-01 196702843 tox21-ror-cho-viability-p1 set1 4 -2.66270476 -0.53487596 1.40044877 7.92539108 0.36224418 9.01801563 -0.73206445 3.93569118 2.77891472 5.07315135 3.26816114 -0.96854938 7.65101053 2.2585108 0.41185824 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.953E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.000001651 0.0000036909999999 0.000008253 0.000018449999999 0.000041259999999 0.00009227 89-82-7 442495 144207404 A Ac R-(+)-Pulegone C/C(C)=C1/CC[C@@H](C)CC1=O Tox21_200206 -NCGC00257922-01 196702848 tox21-ror-cho-viability-p1 set1 4 0.0545935043 -4.7781708519 -3.883284392 -8.6614552439 1.0999999999 0.3778250138 0.3123010449 -7.2876604 -2.37221503 -2.92842638 -1.56940366 -9.0475026 -4.21240508 -7.82798062 -12.21787937 -4.02762863 -8.2935182 -9.73672154 -10.46902635 -10.63678676 -6.16409035 -5.27023344 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004128 0.00009231 82985-35-1 157882 144207566 FNS 3-(Trimethoxysilyl)-N-[3-(trimethoxysilyl)propyl]propan-1-amine CO[Si](CCCNCCC[Si](OC)(OC)OC)(OC)OC Tox21_200368 -NCGC00357201-01 196703255 tox21-ror-cho-viability-p1 set1 -1.1 10.5909294584 -119.8415273188 0.6458205209 -119.1957067979 1.01 0.9799566758 4.81E-8 2.17394165 3.94202749 1.17644597 0.02455782 0.78881977 2.09472803 0.30971694 1.71105753 -11.07611832 -12.67484955 -17.24576667 -29.76695275 -49.15702135 -90.8721797 -94.5997673 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 569-64-2 11294 251919686 F Malachite green [Cl-].C/[N+](C)=C1\C=C/C(C=C1)=C(/c2ccccc2)c3ccc(cc3)N(C)C Tox21_303977 -NCGC00255626-01 196701210 tox21-ror-cho-viability-p1 set1 -1.1 9.6885416101 -76.4845128606 -0.394652202 -76.8791650626 0.7999999999 0.9653094387 0.0000011029 -2.4491994 -0.44259105 -3.15387145 1.15203625 -5.37684226 1.50865793 0.89464696 -0.62793251 -8.3989099 -17.90986959 -31.99670466 -32.27998355 -39.11775921 -64.05373994 -67.43786409 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1154-59-2 14385 144212390 A B 3,5-Dichlorosalicyl-3,4-dichloroanilide Clc2ccc(NC(=O)c1cc(Cl)cc(Cl)c1O)cc2Cl Tox21_302073 -NCGC00255138-01 196700795 tox21-ror-cho-viability-p1 set1 4 2.1689942904 6.742399052 -4.242399052 2.5 0.7999999999 0.461687554 0.2151219588 0.0493759 -2.81079538 -11.45199921 -4.81979293 -0.42485036 -5.37589248 -5.95078245 -0.46991571 -3.75347376 -0.07984302 0.05518151 0.41035557 0.26993837 2.18305788 2.96317038 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5766-67-6 21984 144212182 A A (Ethylenedinitrilo)tetraacetonitrile N#CCN(CCN(CC#N)CC#N)CC#N Tox21_301865 -NCGC00255849-01 196701193 tox21-ror-cho-viability-p1 set1 4 -0.618047 3.01431566 1.90856072 -0.49157616 -0.05207752 4.27380136 0.10639215 -0.85014068 2.03881967 0.9939152 2.15129705 0.89844755 -1.27021666 -1.59830861 1.54651449 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-82-7 61053 144211868 A A N-(4-Ethoxyphenyl)-3-oxobutanamide CCOc1ccc(cc1)NC(=O)CC(C)=O Tox21_301551 -NCGC00255512-01 196701195 tox21-ror-cho-viability-p1 set1 -2.2 30.6378586933 -36.626184428 -2.5 -39.126184428 1.0999999999 0.9308006484 0.000048487 -5.68643995 0.33352661 0.12113886 -2.1269119 -2.39338008 -1.785952 -1.23064674 -7.91859626 -3.08750678 -4.28309326 -6.54798337 -6.68923546 -19.39045302 -21.36377948 -31.35515369 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 485-31-4 10234 144211871 A B Binapacryl O=C(Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(C)CC)\C=C(/C)C Tox21_301554 -NCGC00258517-01 196701628 tox21-ror-cho-viability-p1 set1 4 -7.82736227 -10.5279029 -8.14117767 -0.8471909 -6.19447534 0.03368615 -7.51492004 -5.59133344 -4.52826717 -7.9087828 -12.83759566 -8.33264601 -10.79884093 -6.96905443 -6.65560732 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.354E-7 0.0000016439999999 0.0000036769999999 0.0000082219999999 0.000018379999999 0.00004111 0.00009192 112-73-2 8210 144208162 A Bc Diethylene glycol dibutyl ether CCCCOCCOCCOCCCC Tox21_200964 -NCGC00258023-01 196702025 tox21-ror-cho-viability-p1 set1 4 8.04308922 0.5771255 -0.20278529 3.98350704 1.70040861 6.45483637 4.15150509 5.32856086 0.38371753 -0.86459067 0.80823232 -1.35445651 6.02690661 -2.99111375 3.03293309 1.1859999999E-9 2.651E-9 5.928E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009262 92-88-6 7112 144207667 A A 4,4'-Biphenyldiol Oc1ccc(cc1)c2ccc(O)cc2 Tox21_200469 -NCGC00091830-04 196699046 tox21-ror-cho-viability-p1 set1 4 1.06505435 -1.64572351 -2.41815618 -2.45177375 -2.10397815 -0.36884183 -1.97411656 -2.60499656 -0.28704145 0.09676742 -2.63122604 0.06575938 -1.32761974 1.92267924 -0.44434698 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00253914-01 196699040 tox21-ror-cho-viability-p1 set1 4 38.5707788719 10.980125288 -2.980125288 8 1.4641 0.5570238276 0.1312034231 -3.98377587 0.21508386 -1.11827444 -6.30464524 -5.71886996 -1.91198298 -0.64266226 -7.48343774 -2.55253637 -2.15957683 1.25486679 -1.52726964 -2.07021296 2.76746254 6.71159243 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-50-1 7239 144210366 AC Fns 1,2-Dichlorobenzene Clc1ccccc1Cl Tox21_300046 -NCGC00254375-01 196699052 tox21-ror-cho-viability-p1 set1 4 1.24060962 0.10401882 -2.09574176 0.74425627 1.56788789 2.11307708 -0.15533324 0.04036436 2.81754137 1.26551151 2.63294968 0.12212013 4.09711929 2.31548421 0.78785904 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 171866-31-2 10021362 144210749 A A CP-283097 Fc1ccc(cc1)C2(O)CCN(CC2)[C@@H]4COc3cc(O)ccc3[C@@H]4O Tox21_300431 -NCGC00254599-01 196699451 tox21-ror-cho-viability-p1 set1 4 30.6378586933 7.3177116879 -6.3177116879 1 4.9549173134 0.4001542152 0.2738214207 -12.76475974 -4.16669573 -4.22582048 -4.39922706 -9.78387476 -8.42210861 -1.30619677 -7.70344566 -5.28661585 -4.3503988 -6.61799491 -5.23248523 -8.17880063 1.1656714 -0.26693265 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52645-53-1 40326 144211008 I I Permethrin Cl/C(Cl)=C/C3C(C(=O)OCc2cccc(Oc1ccccc1)c2)C3(C)C Tox21_300691 -NCGC00254401-01 196699459 tox21-ror-cho-viability-p1 set1 4 2.54651491 1.04259625 0.66457505 -1.0584578 -0.81555991 1.10815832 3.21574657 1.42586037 -0.31244627 -0.82202125 -0.61963472 -0.91558681 3.51863447 1.61786938 0.42834232 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-42-5 8184 144210866 A A 1-Undecanol CCCCCCCCCCCO Tox21_300548 -NCGC00015718-12 196698253 tox21-ror-cho-viability-p1 set1 4 37.5780357627 -18.2375684759 -2.382338012 -20.6199064879 0.4 0.6237848858 0.0815535988 -0.31861501 -3.72871164 -4.36040473 -4.65133695 -6.04731523 -1.21709643 -6.64950651 -3.79649787 -4.35415132 -6.67055061 -6.52692199 -6.69096852 -4.6562901 -9.94047912 -15.51658874 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57149-07-2 4418 170466026 A Naftopidil OC(CN1CCN(CC1)c2ccccc2OC)COc4cccc3ccccc34 Tox21_110205_1 -NCGC00090701-06 196698236 tox21-ror-cho-viability-p1 set1 4 -0.01596106 -2.17715293 -7.37401487 0.05450758 -5.02948555 2.23174324 -4.0102595 0.21360845 -1.96892038 -1.50106764 -0.30780524 -0.75626353 -0.47703363 -3.53433013 -5.93671773 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00017245-10 196698240 tox21-ror-cho-viability-p1 set1 4 -2.23468314 2.18181499 0.53040367 -2.9858358 0.45648769 0.31325851 -2.27813842 -5.14258685 0.81414775 0.53614017 0.92054887 3.20085438 -2.87560999 0.46457228 0.6851853 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 476-66-4 5281855 170466649 A Ellagic acid Oc1c4OC(=O)c2cc(O)c(O)c3OC(=O)c(cc1O)c4c23 Tox21_110805_1 -NCGC00167737-02 196698252 tox21-ror-cho-viability-p1 set1 4 37.5780357627 10.347585392 -0.347585392 10 4.9549173134 0.3969201851 0.2780823205 0.33517763 -0.42539638 -4.25173961 -0.25888332 3.92667134 -0.1111834 -1.32577548 1.4196501 0.30237531 -1.09999885 -1.78888549 4.6609111 -4.45632116 -0.05318699 7.3902317 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103878-83-7 163727 170466038 A Lazabemide hydrochloride Cl.Clc1cnc(cc1)C(=O)NCCN Tox21_112582_1 -NCGC00253613-01 196698645 tox21-ror-cho-viability-p1 set1 4 1.35951992 -1.35709835 1.27631614 4.84126648 1.31680104 -1.99746162 2.67213609 2.36386885 1.37858308 1.93353167 2.7036083 4.78084752 0.4334722 -2.57262044 -0.24015161 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 144-14-9 8944 170465266 A Anileridine O=C(OCC)C2(CCN(CCc1ccc(N)cc1)CC2)c3ccccc3 Tox21_113744 -NCGC00091351-03 196698657 tox21-ror-cho-viability-p1 set1 4 -4.25787433 5.82091589 3.8714408 -2.95010502 3.40208088 3.22800483 2.62163991 -0.95259218 4.27676958 2.93281922 -0.18013972 3.84891852 2.42847762 3.78798576 3.17451737 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00254077-01 196698666 tox21-ror-cho-viability-p1 set1 4 2.3119418 4.3627449 2.58857419 4.12536902 0.60959677 0.96705451 -0.49122818 -1.41646601 -0.77148441 -0.34764377 0.74374318 0.60381626 6.92097668 5.3768345 -0.26724894 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 110-85-0 4837 144210424 Piperazine C1CNCCN1 Tox21_300104 -NCGC00253931-01 196698668 tox21-ror-cho-viability-p1 set1 4 -5.44675157 -3.65009869 -4.27241895 -2.77036396 -1.85516517 -14.11236422 -1.72668643 -0.62268988 -1.92249348 -1.29432108 -5.49853297 -2.10430798 0.95856832 -8.32349741 -2.19611934 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47346 9842616 144210552 A C SSR162369 FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC2CC4CCC(C2)N4c3ncccn3 Tox21_300232 -NCGC00356940-01 196711367 tox21-ror-cho-viability-p1 set2 4 -6.22579564 -5.04859547 -7.98256695 -4.74861375 -6.19736864 -26.82540094 -2.32252262 -13.62462654 -34.58073357 -16.72907808 -14.3330076 -2.30610141 -15.92046851 -16.72424046 -8.4255727 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 101-67-7 7569 251919680 F 4,4'-Dioctyldiphenylamine CCCCCCCCc1ccc(cc1)Nc2ccc(cc2)CCCCCCCC Tox21_303750 -NCGC00254801-01 196714249 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -20.0859927679 1.5 -18.5859927679 4.9549173134 0.9398056933 0.0000234169 1.06622101 1.59609371 3.02872155 0.12315503 0.18321166 1.71444718 1.00603241 1.74386943 0.16070745 3.3007176 1.69060193 3.31434968 2.2647563 1.01366358 -15.07166064 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81406-37-3 54745 144211214 A A Fluroxypyr-meptyl CC(CCCCCC)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl Tox21_300897 -NCGC00260346-01 196711380 tox21-ror-cho-viability-p1 set2 4 34.6561032477 -26.1080099958 1.6962049119 -24.4118050839 0.2 0.3929394461 0.2788315911 -2.25683707 -2.13660494 -2.20315703 -1.47509587 -1.21393998 -0.66982924 -6.16884464 -13.61882236 -2.20075492 -12.12970658 -9.49480255 -7.80110638 -6.53972464 -2.89175584 -22.00983757 1.188E-9 2.657E-9 5.942E-9 1.3289999999E-8 2.971E-8 6.6429999999E-8 1.4849999999E-7 3.321E-7 7.427E-7 0.0000016609999999 0.000003714 0.000008304 0.00001857 0.00004152 0.00009284 1210-39-5 71027 144209998 A A 2-Propenal,3,3-diphenyl- O=C\C=C(/c1ccccc1)c2ccccc2 Tox21_202800 -NCGC00357019-01 196711365 tox21-ror-cho-viability-p1 set2 4 0.69265864 -5.68603678 -4.36757258 -5.69484219 2.11317805 -0.38541525 -2.37595739 2.8151608 -4.47866781 -1.81542311 -1.09082644 -0.54324602 -2.40049874 -5.30272435 -0.24326825 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63134-33-8 14178379 251919990 A BPS-MPE4 Oc1ccccc1S(=O)(=O)c3ccc(OCc2ccccc2)cc3 Tox21_304051 -NCGC00260089-01 196711375 tox21-ror-cho-viability-p1 set2 -2.4 29.7764447782 -38.54206814 -0.5 -39.04206814 1.8616924601 0.8555692709 0.0018964215 -0.92896578 -2.77604071 0.45724546 1.9740418 -1.45768418 -0.35901096 2.60778854 -0.92329628 2.24633892 -8.53557865 -0.03262195 0.85766989 -9.55614749 -10.8763389 -29.20172345 5.887E-10 1.3159999999E-9 2.943E-9 6.582E-9 1.472E-8 3.291E-8 7.359E-8 1.645E-7 3.679E-7 8.227E-7 0.00000184 0.000004114 0.000009198 0.000020569999999 0.00004599 21850-44-2 62753 144209738 A A Tetrabromobisphenol A-bis(2,3-dibromopropyl ether) Brc1cc(cc(Br)c1OCC(Br)CBr)C(C)(C)c2cc(Br)c(OCC(Br)CBr)c(Br)c2 Tox21_202540 -NCGC00260140-01 196711781 tox21-ror-cho-viability-p1 set2 -2.4 3.444752592 -32.577800328 3.5 -29.077800328 0.2 0.7758177417 0.0127589184 0.20781303 0.55519802 -7.10588236 -5.82400961 -1.02348147 -10.88961565 -7.80597854 -5.37898516 -7.72428974 -10.20460574 -11.4575069 -13.22081019 -11.34158244 -15.10256917 -20.89816694 6.039E-10 1.35E-9 3.02E-9 6.752E-9 1.51E-8 3.376E-8 7.549E-8 1.688E-7 3.774E-7 8.4399999999E-7 0.0000018869999999 0.0000042199999999 0.0000094359999999 0.0000211 0.00004718 56-49-5 1674 144209790 A F 3-Methylcholanthrene Cc2ccc3cc1c5ccccc5ccc1c4CCc2c34 Tox21_202592 -NCGC00259141-01 196711784 tox21-ror-cho-viability-p1 set2 -1.1 30.1400227924 -79.0339487423 -6.4254871819 -85.4594359242 4.9549173134 0.8958316992 0.0003939477 0.47111111 -10.76579629 -1.78316493 -1.25935528 -0.85286676 -7.71462836 -11.33688345 -0.16971728 -30.1199151 -0.15584178 -19.15658007 0 -7.77772018 -74.99546746 -83.78376071 1.164E-9 2.602E-9 5.818E-9 1.301E-8 2.909E-8 6.5049999999E-8 1.4549999999E-7 3.252E-7 7.2729999999E-7 0.0000016259999999 0.000003636 0.000008131 0.00001818 0.000040659999999 0.00009091 143-50-0 299 144208790 A F Kepone O=C2C1(Cl)C3(Cl)C5(Cl)C1(Cl)C4(Cl)C2(Cl)C3(Cl)C4(Cl)C5(Cl)Cl Tox21_201592 -NCGC00260313-01 196711786 tox21-ror-cho-viability-p1 set2 -2.4 27.2782538257 -30.9642099239 1 -29.9642099239 1.8579476909 0.897027722 0.0003733679 -3.77557376 -3.42223998 -3.99731538 2.78602751 -0.22182287 2.18471052 2.03968807 5.34738607 4.15269148 2.87366932 -1.87066646 -0.44572801 -10.6345554 -18.27525068 -28.30350827 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008241 0.000018429999999 0.00004121 0.00009214 68937-41-7 75628 144209964 F F Triisopropylated phenyl phosphate CC(C)c1ccc(cc1)OP(=O)(Oc2ccc(cc2)C(C)C)Oc3ccc(cc3)C(C)C Tox21_202766 -NCGC00260028-01 196711791 tox21-ror-cho-viability-p1 set2 -3 71.7403194832 -104.6800526952 1.684971508 -102.9950811872 4.9549173134 0.9799853244 4.77E-8 2.96170409 -0.36481549 3.20297137 1.64513398 3.95589674 3.22714391 3.92067852 5.59637356 5.6145062 3.55852888 -1.96204651 -2.82639733 -5.27104573 -6.06321767 -82.53577872 1.2249999999E-9 2.7399999999E-9 6.126E-9 1.37E-8 3.063E-8 6.8489999999E-8 1.532E-7 3.425E-7 7.658E-7 0.0000017119999999 0.000003829 0.000008561 0.00001914 0.00004281 0.00009572 75-07-0 177 144209677 D Acetaldehyde CC=O Tox21_202479 -NCGC00357044-01 196711792 tox21-ror-cho-viability-p1 set2 4 -3.89198972 -1.18544909 -2.68245237 -27.69946905 -4.39002401 -8.76461651 -13.1509511 -2.7737167 -1.45356666 -6.08591362 -7.0797154 -5.93085937 0 2.57571569 -5.1715335 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-61-2 6977 251919967 A 1,4-Dichloro-2-nitrobenzene O=[N+]([O-])c1cc(Cl)ccc1Cl Tox21_303735 -NCGC00257695-01 196712203 tox21-ror-cho-viability-p1 set2 4 -3.715548 -8.22632787 -11.04198198 -28.54077333 -29.93178757 -26.88881984 -22.06799358 -13.17757565 -1.41324478 -30.73417166 -1.18585466 -4.30420678 0 -11.49393692 -4.95982198 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.9479999999E-8 6.591E-8 1.474E-7 3.296E-7 7.369E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 71-58-9 6279 144207339 A A Medroxyprogesterone acetate CC(=O)[C@@]3(OC(C)=O)CC[C@H]2[C@@H]4C[C@H](C)C1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_200141 -NCGC00091205-03 196724200 tox21-ror-cho-viability-p1 set3 4 0.0018251649 13.091906308 -11.591906308 1.5 3.1319983358 0.4469781903 0.2276819615 -10.07658859 -6.93798351 8.0041731 -2.10470887 5.48653524 -1.16982294 2.39822455 6.92557509 3.10519713 2.00619974 5.02804518 -5.30724397 -2.6292366 -1.09047578 2.32286864 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00090773-04 196724202 tox21-ror-cho-viability-p1 set3 4 -0.74932222 -7.74276919 1.03489049 -2.81269229 -3.64425922 -1.94948809 -2.22768087 1.56694974 -0.2658399 -0.65167728 3.75231598 1.51464771 -9.57120067 4.42766192 -8.42153545 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.0000016739999999 0.000003742 0.000008368 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00260015-01 196724208 tox21-ror-cho-viability-p1 set3 4 59.0848451277 13.04086762 -3.54086762 9.5 4.0949729863 0.6247712972 0.0810023658 -5.49851101 -5.66430744 -5.85855044 -4.33255249 -2.47852991 -7.53405635 -0.08290475 -3.03612311 -2.05241263 -2.22362416 -1.0454669 -2.22548812 -0.67685025 -1.39512276 7.2680621 1.1469999999E-9 2.564E-9 5.734E-9 1.282E-8 2.867E-8 6.411E-8 1.434E-7 3.205E-7 7.168E-7 0.000001603 0.000003584 0.0000080139999999 0.00001792 0.00004007 0.00008959 107-06-2 11 144209664 Fns 1,2-Dichloroethane ClCCCl Tox21_202466 -NCGC00260076-01 196724210 tox21-ror-cho-viability-p1 set3 4 27.2504920471 20.412268112 -8.412268112 12 0.3 0.59809818 0.0987916123 -9.0044152 -5.21333685 -5.21056798 -9.09355676 -3.87582384 -7.16565873 -3.38330848 -3.40597422 -5.76333974 -2.96584297 4.14283138 0.52812061 -3.77033064 -1.31966513 8.91842175 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.3169999999E-8 2.944E-8 6.583E-8 1.472E-7 3.291E-7 7.3599999999E-7 0.0000016459999999 0.00000368 0.000008228 0.000018399999999 0.000041139999999 0.000092 1271-28-9 62390 144209725 Fns Nickelocene [Ni+2].[c-]1cccc1.c1[c-]ccc1 Tox21_202527 -NCGC00259778-01 196724213 tox21-ror-cho-viability-p1 set3 -1.2 9.7674169857 -51.1204061394 -2.200944735 -53.3213508744 2.0478617061 0.9406045647 0.0000484559 -7.8945403 -6.80239788 0.891971 -4.74255443 1.37569688 -2.24252774 1.42831038 0.97968582 2.63782617 -8.13674725 -12.98914277 -18.31661832 -46.77865573 -49.37162118 10.19224244 1.188E-9 2.657E-9 5.941E-9 1.3279999999E-8 2.971E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016609999999 0.000003713 0.000008303 0.00001857 0.000041509999999 0.000092829999999 10108-64-2 24633 144209427 Cadmium chloride [Cd+2].[Cl-].[Cl-] Tox21_202229 -NCGC00260062-01 196724214 tox21-ror-cho-viability-p1 set3 4 0.0110700143 13.8946595719 -8.3946595719 5.5 0.5 0.6934940791 0.0414612902 -6.16221631 -3.44323381 -3.77441588 -0.05882289 4.48576223 -2.03879119 1.75385405 2.20472524 5.51741661 3.86020259 6.37047259 2.62483249 5.60984561 1.16246759 9.05105132 1.198E-9 2.679E-9 5.991E-9 1.34E-8 2.995E-8 6.698E-8 1.4979999999E-7 3.3489999999E-7 7.488E-7 0.0000016739999999 0.000003744 0.0000083719999999 0.000018719999999 0.000041859999999 0.000093599999999 140-88-5 8821 144209711 Fns Ethyl acrylate C=CC(=O)OCC Tox21_202513 -NCGC00091088-05 196724218 tox21-ror-cho-viability-p1 set3 4 0.0306378587 8.5178116079 -6.0178116079 2.5 0.5 0.5888902566 0.1067470216 -3.18930931 -5.84817634 -4.03051853 -2.16883207 -0.93995947 -0.47271204 -1.38490044 -0.60021375 3.13871674 0.94501318 3.0518481 1.15719863 -0.27988429 -1.32699662 7.2078848 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00260624-01 196724623 tox21-ror-cho-viability-p1 set3 4 0.1059092946 5.17019734 -4.17019734 1 1.34431 0.4700027261 0.2078870645 0.24287943 -5.76074308 -3.32769642 -9.72516445 -0.92556284 -4.6443837 -1.83496374 0.8163358 -2.93533975 2.19802635 0.0889233 2.55243001 2.5130614 -0.38556278 0.64330446 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49520 144210277 M M NTP Mix100 ER1 10-EQC Tox21_203079 -NCGC00258205-01 196724637 tox21-ror-cho-viability-p1 set3 4 1.4841442078 13.203270596 -6.703270596 6.5 0.2 0.3511784152 0.3208524629 -8.08605883 -1.06741446 -1.46486521 -7.10379431 3.09206542 -0.80060473 -7.30986626 1.590189 -0.39381763 -1.03316205 0.16235617 0.78676769 0.98720072 -0.00085514 5.20247913 1.1469999999E-9 2.564E-9 5.733E-9 1.282E-8 2.867E-8 6.41E-8 1.433E-7 3.205E-7 7.1659999999E-7 0.000001602 0.000003583 0.000008012 0.00001792 0.00004006 0.000089579999999 101-14-4 7543 144207849 A A 4,4'-Methylenebis(2-chloroaniline) Nc2ccc(Cc1ccc(N)c(Cl)c1)cc2Cl Tox21_200651 -NCGC00260664-01 196724638 tox21-ror-cho-viability-p1 set3 4 0.0334914596 5.9963120199 -2.9963120199 3 4.9549173134 0.3414588128 0.328969354 -3.0986941 2.96595782 2.81265786 -3.79145634 -14.16359335 1.06152535 1.66578867 4.55587105 3.26616873 1.2054676 4.42227017 2.19747467 4.97507722 1.52426632 2.24173059 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49560 144210317 M M NTP Mix29 AR2 5-EQP-HF Tox21_203119 -NCGC00016344-07 196725035 tox21-ror-cho-viability-p1 set3 4 0.0298492948 6.291186616 1.208813384 7.5 4.9549173134 0.7648848545 0.020700703 1.6674095 3.46839048 1.57773315 0.98653329 -1.90932218 5.50213831 8.1260626 6.81635823 7.59767067 7.73601406 10.32186562 4.26022228 7.39251812 6.8046427 -0.50877303 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 89-57-6 4075 170464840 I 5-Aminosalicylic acid OC(=O)c1cc(N)ccc1O Tox21_110384_1 -NCGC00257832-01 196702860 tox21-ror-cho-viability-p1 set1 4 44.0263802793 13.6694328921 0.3305671079 14 0.7 0.4277588086 0.2467191153 -0.03653104 -1.48350164 5.13418859 -1.26468273 4.00924475 0.48017417 -4.72452741 -0.01048787 6.04899809 0.68220638 -1.45912222 7.79361013 4.49120754 4.58482356 10.51105899 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 108-24-7 7918 144207476 A F Acetic anhydride CC(=O)OC(C)=O Tox21_200278 -NCGC00258738-01 196702862 tox21-ror-cho-viability-p1 set1 4 17.4393986943 -10.6095744519 0.5 -10.1095744519 4.9549173134 0.839721387 0.0030867786 3.17885919 1.7115227 -0.0316005 0.25274304 -0.12193288 -3.96278086 -0.70010826 -0.26988624 -0.16750175 3.16181829 -0.42149513 0.50634531 -5.65991573 -10.50797871 -10.11789168 1.1919999999E-9 2.6659999999E-9 5.962E-9 1.333E-8 2.981E-8 6.6649999999E-8 1.49E-7 3.3329999999E-7 7.452E-7 0.0000016659999999 0.000003726 0.000008332 0.00001863 0.00004166 0.00009315 517-28-2 320930 144208384 A A Hematoxylin Oc2cc3C[C@]4(O)COc1c(O)c(O)ccc1[C@@H]4c3cc2O Tox21_201186 -NCGC00257576-01 196702465 tox21-ror-cho-viability-p1 set1 4 1.9390173433 -6.710243096 0 -6.710243096 2.4729283767 0.4812449289 0.213388722 1.88616414 -4.60616891 -4.56598326 3.60227301 0.35336489 2.45706143 0.13911943 0.31987442 2.08124612 -5.0404384 -2.14455276 -11.42520258 -3.01914312 -7.90526324 -3.03280832 1.183E-9 2.6459999999E-9 5.916E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.395E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 554-84-7 11137 144207220 A A 3-Nitrophenol O=[N+]([O-])c1cccc(O)c1 Tox21_200022 -NCGC00258356-01 196702858 tox21-ror-cho-viability-p1 set1 4 0.0059084845 5.9145093959 -2.4145093959 3.5 4.9549173134 0.3828786599 0.2907652528 1.48237211 -6.17875783 0.09279328 7.72973484 0.28918357 1.23270127 4.95940797 5.49713026 7.03409167 1.1034023 0.71564979 2.41736223 4.78213631 5.67838526 1.80905711 1.1469999999E-9 2.566E-9 5.7369999999E-9 1.2829999999E-8 2.868E-8 6.414E-8 1.434E-7 3.2069999999E-7 7.1709999999E-7 0.000001603 0.000003585 0.000008017 0.00001793 0.00004009 0.00008964 95-51-2 7240 144208000 A A 2-Chloroaniline Nc1ccccc1Cl Tox21_200802 -NCGC00257756-01 196702865 tox21-ror-cho-viability-p1 set1 4 -0.16614212 2.09601134 0.63708178 4.84764548 5.25056862 4.52981797 -6.01638666 0.72014744 6.34134965 -5.47374305 10.15228526 0.47097379 6.03647898 4.57234831 -0.75038794 1.159E-9 2.591E-9 5.794E-9 1.2959999999E-8 2.8969999999E-8 6.478E-8 1.449E-7 3.239E-7 7.243E-7 0.00000162 0.0000036209999999 0.000008098 0.000018109999999 0.00004049 0.00009053 287-92-3 9253 144207400 FNS Cyclopentane C1CCCC1 Tox21_200202 -NCGC00257666-01 196702873 tox21-ror-cho-viability-p1 set1 4 0.0868763621 -5.5582373 0.5 -5.0582373 4.9549173134 0.3557210653 0.3317173997 2.21286769 0.02261054 -3.12120571 0.86683612 0.63912757 0.7367869 -10.51880899 -11.71519775 0.33149448 -0.49841713 -2.76854528 -3.10921427 -5.59427792 -5.76669723 -1.87953079 1.1859999999E-9 2.6519999999E-9 5.929E-9 1.326E-8 2.964E-8 6.629E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.0000037059999999 0.000008286 0.00001853 0.000041429999999 0.00009264 98-55-5 17100 144207310 A B alpha-Terpineol CC1=CCC(CC1)C(O)(C)C Tox21_200112 -NCGC00260345-01 196703273 tox21-ror-cho-viability-p1 set1 4 -2.76849723 0.64693656 -4.2767593 -1.42893127 -2.48765678 -3.49103821 -2.1988622 -0.17797078 -7.18901084 -12.00867863 -0.47028922 -9.21971959 -10.24979114 -3.69418349 8.23407723 6.211E-11 1.3889999999E-10 3.106E-10 6.9439999999E-10 1.553E-9 3.4719999999E-9 7.764E-9 1.736E-8 3.882E-8 8.68E-8 1.941E-7 4.34E-7 9.705E-7 0.00000217 0.000004853 10377-48-7 66320 144209997 Lithium sulfate [Li+].[Li+].[O-]S([O-])(=O)=O Tox21_202799 -NCGC00356969-01 196703272 tox21-ror-cho-viability-p1 set1 4 -0.53626497 -0.92428637 0.03206301 -0.67642328 0.19291325 -1.93669012 -3.6210055 6.11889945 2.67302739 3.05554698 -0.83898162 2.45353874 -4.82382535 0.17138424 3.62556957 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-93-5 8864 251919657 Ac 1,3-Diethylbenzene CCc1cccc(CC)c1 Tox21_303896 -NCGC00260424-01 196703283 tox21-ror-cho-viability-p1 set1 4 77.4286392264 -9.486099648 0 -9.486099648 4.5044702849 0.324146046 0.3486106742 -1.23458034 1.48790803 -0.30008295 -4.25755806 0.02558228 -0.85325566 3.18207722 -4.54724907 5.41825912 0.36722288 -1.13894805 -0.23024703 1.35188438 -0.58699181 -6.65508304 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.629E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008287 0.00001853 0.000041429999999 0.00009265 92841-65-1 6931391 144210076 A A (4R,5S)-(-)-1,5-Dimethyl-4-phenyl-2-imidazolidinone C[C@@H]2N(C)C(O)=N[C@@H]2c1ccccc1 Tox21_202878 -NCGC00357066-01 196703297 tox21-ror-cho-viability-p1 set1 4 0.0017228934 -12.106625804 6 -6.106625804 4.9549173134 0.4047979413 0.2686385262 4.1830887 -4.76469666 -7.33254061 -0.93597389 -6.82530859 -10.91818142 -3.35293956 -4.05883618 -2.17196954 -12.17218817 -5.66066528 -6.78691121 -5.30838912 -10.87096824 -3.4117948 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135-02-4 8658 251919864 A 2-Methoxybenzaldehyde COc1ccccc1C=O Tox21_303774 -NCGC00260284-01 196703696 tox21-ror-cho-viability-p1 set1 4 0.93933129 5.63474071 -0.7298092 -1.74110843 -0.32455794 0.3099916 -3.45524652 0.87682671 -0.59183738 4.98382144 1.18583026 0.48347982 1.04836145 0.23573913 -3.08851984 5.492E-11 1.228E-10 2.746E-10 6.1399999999E-10 1.373E-9 3.0699999999E-9 6.8649999999E-9 1.535E-8 3.432E-8 7.675E-8 1.716E-7 3.837E-7 8.581E-7 0.0000019189999999 0.00000429 60-00-4 6049 144209934 Fns Ethylenediaminetetraacetic acid O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O Tox21_202736 -NCGC00357177-01 196703700 tox21-ror-cho-viability-p1 set1 4 0.04406612 -0.72257563 -1.67571609 3.73705729 1.28677086 0.1537449 -0.80840237 1.00975936 3.25336905 2.37729268 0.01297381 2.00435271 1.32471685 3.37930905 -0.63021671 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2588-04-7 17425 251919771 F Phorate sulfone CCOP(=S)(OCC)SCS(=O)(=O)CC Tox21_303939 -NCGC00091650-03 196704106 tox21-ror-cho-viability-p1 set1 4 0.0306378587 7.102441856 -8.602441856 -1.5 0.7999999999 0.396060661 0.2783200434 -4.59961533 -6.43827768 -10.50203488 -5.04444174 -9.3866736 -0.4219738 -3.74610546 -0.55369086 0.06760232 -3.57982084 -1.02142593 -4.24064142 0.71931962 -5.35884695 -1.21331894 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00253921-01 196699907 tox21-ror-cho-viability-p1 set1 4 -13.90725302 -8.99357716 -8.60808499 -5.84117489 -4.72316862 -9.04189016 -5.93666479 -6.56979546 -9.8531059 -7.69087446 -10.80659534 -5.89269649 -5.07902894 -9.5460069 -12.12072081 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10222-01-2 25059 144210409 2,2-Dibromo-3-nitrilopropionamide BrC(Br)(C#N)C(N)=O Tox21_300089 -NCGC00254431-01 196699496 tox21-ror-cho-viability-p1 set1 4 29.8492948118 -13.605218584 0.5 -13.105218584 4.9549173134 0.8982925297 0.0003612568 0.37542312 2.42188238 -1.0220874 -1.35482995 0.94425327 0.12584687 -0.96844244 0.64331252 0.37632169 -0.15125163 2.15631114 0.91044332 0.04111116 -1.24234956 -11.75434882 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4449-51-8 442972 144210949 A A Cyclopamine CC4=C5C[C@@H]1[C@@]6(C)CC[C@H](O)CC6=CC[C@H]1[C@@H]5CC[C@@]24O[C@@H]3C[C@H](C)CN[C@H]3[C@H]2C Tox21_300632 -NCGC00090962-05 196699893 tox21-ror-cho-viability-p1 set1 4 0.0015355304 -9.1924543239 8 -1.1924543239 4.9549173134 0.5324104313 0.153169565 7.10214318 -6.82704527 -0.5977291 -1.84971337 -1.82254519 -0.98860113 -1.07772704 0.01120752 -0.64785943 0.32937631 0.72259623 -2.03306785 -2.10195158 -0.08388872 -1.72708218 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00254015-01 196699906 tox21-ror-cho-viability-p1 set1 4 -0.22119855 -1.43673633 -4.34363256 0.15485395 0.23267926 2.23575734 -0.18002891 -3.16715171 -5.28873392 -3.93366271 -0.04934421 0.3962893 -7.39440761 -1.2882548 -4.65207981 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4180-23-8 637563 144210452 C (E)-Anethole COc1ccc(/C=C/C)cc1 Tox21_300132 -NCGC00254139-01 196699910 tox21-ror-cho-viability-p1 set1 4 -0.47966121 1.09941246 -1.31222634 2.51787615 0.36125222 1.99281966 -1.31246481 0.77616334 -1.27466964 -0.54174036 -0.72092653 0.05205424 -0.11807007 2.64914544 3.51162671 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 115-96-8 8295 144210394 Fc Fc Tris(2-chloroethyl) phosphate ClCCOP(=O)(OCCCl)OCCCl Tox21_300074 -NCGC00255156-01 196700314 tox21-ror-cho-viability-p1 set1 4 -3.56711109 3.53606105 -3.14261764 -3.64196025 0.52033403 0.56953036 -10.51216732 -2.05963759 -0.30088753 0.09204672 1.19167723 -6.14279228 2.40606941 0.88932437 3.14390542 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-58-9 31352 144211923 F A Dipentaerythritol OCC(COCC(CO)(CO)CO)(CO)CO Tox21_301606 -NCGC00256091-01 196700332 tox21-ror-cho-viability-p1 set1 4 0.06255471 -3.93034131 -3.47818739 2.42151257 -1.51335598 0.5015775 0.28512935 -1.46548995 -2.45548644 -2.81574184 -5.6947983 -4.56622598 -3.99209663 -4.46767411 0.99283177 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1484-84-0 15144 144212005 A A 2-(Piperidin-2-yl)ethanol OCCC1CCCCN1 Tox21_301688 -NCGC00255383-01 196700737 tox21-ror-cho-viability-p1 set1 4 -5.61939777 -0.7809418 1.94532896 -5.31737607 0.75351815 1.44295378 0.33107958 0.51336501 -0.90578744 1.69648384 1.90469373 0.19732134 2.06326085 3.79355299 1.59355089 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63-42-3 6134 144212183 A A Lactose O[C@H]2[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H](CO)O[C@@H](O)[C@@H]2O Tox21_301866 -NCGC00255895-01 196700742 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -14.6441027359 1.5 -13.1441027359 4.9549173134 0.5290291395 0.1543621179 0.73255897 -2.12467851 -2.72370626 5.41910848 0.214301 5.4996641 1.27320871 0.40972838 0.44825865 1.2234419 -0.07474946 6.24329467 3.93565574 1.1071408 -9.28675228 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 54982-83-1 41270 144212523 F A 1,4-Dioxacyclohexadecane-5,16-dione O=C1CCCCCCCCCCC(=O)OCCO1 Tox21_302206 -NCGC00255696-01 196701140 tox21-ror-cho-viability-p1 set1 -1.1 24.3365162115 -81.7461133837 1.0111046059 -80.7350087778 2.3531167061 0.9923536103 2E-10 2.12551841 -1.37733646 2.61609954 -0.06099684 2.28530631 0.67658135 -3.09541041 -0.8537624 3.4730758 5.73698455 0.26671229 -5.16429291 -28.2025298 -60.91207429 -79.15196939 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68959-20-6 62253 144212696 A Ac Disiquonium chloride [Cl-].CO[Si](CCC[N+](C)(CCCCCCCCCC)CCCCCCCCCC)(OC)OC Tox21_302379 -NCGC00254665-01 196699516 tox21-ror-cho-viability-p1 set1 -2.2 54.4826732819 -51.3599858581 1.1987800769 -50.1612057812 3.9294729863 0.9784231956 7.37E-8 3.57189182 3.05892653 3.18308614 -2.37308919 1.22380122 2.25041525 -1.74188748 0.55980102 0.29841189 0.09327204 2.35114471 3.3764503 -0.19053463 -11.77286901 -44.44030741 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85509-19-9 73675 144211078 A A Flusilazole C[Si](Cn1cncn1)(c2ccc(F)cc2)c3ccc(F)cc3 Tox21_300761 -NCGC00253989-01 196699102 tox21-ror-cho-viability-p1 set1 4 0.3437624285 -5.6066264159 0 -5.6066264159 2.3331733767 0.420522952 0.2539613013 -1.00832214 0.09838998 0.62977612 -1.61178462 1.20487834 -1.3391221 -0.49748886 -0.62751485 -9.11542651 -3.12051984 -3.19013005 -9.58099606 -1.18810088 -1.44598996 -10.92218868 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-93-0 6506 144210324 A B Triethyl citrate OC(CC(=O)OCC)(CC(=O)OCC)C(=O)OCC Tox21_300004 -NCGC00182988-01 196712628 tox21-ror-cho-viability-p1 set2 4 -2.4093081 -0.36635609 -0.23190002 1.45486504 -0.49639795 0.14757773 -4.25194633 -2.52338348 -0.62733446 0.65941191 -0.07669232 0.65948195 -2.25364631 0.57658485 1.62504695 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123548-56-1 129991 144206850 A A Acreozast Clc1c(cc(cc1NC(=O)COC(C)=O)C#N)NC(=O)COC(C)=O Tox21_113299 -NCGC00090782-06 196712620 tox21-ror-cho-viability-p1 set2 -2.4 33.4914596268 -27.957713004 -1 -28.957713004 4.9549173134 0.9580020166 0.0000032427 -0.36632631 -1.02794806 -1.21887705 -0.05738096 -0.01233622 -2.81409785 1.19851426 -2.67842002 0.16772672 -2.15474805 -0.33686357 -0.97559652 -2.74585936 -1.54684544 -24.54809417 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 159989-65-8 64142 170465351 A Nelfinavir mesylate CS(=O)(=O)O.Oc1cccc(c1C)C(=O)N[C@@H](CSc2ccccc2)[C@H](O)CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C Tox21_111021_1 -NCGC00160649-02 196713033 tox21-ror-cho-viability-p1 set2 4 0.0010590929 -15.140615692 13.5 -1.640615692 4.4494702849 0.7992833186 0.0081944407 12.25744314 2.52754419 -3.33263341 -0.15645519 2.16157521 -4.28384641 -1.81171018 -0.27079661 -0.29992586 1.1882422 -0.75233643 -2.87253066 -2.96692102 -3.25764707 -1.5856744 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 664-95-9 12628 170466322 A Glycyclamide O=C(NC1CCCCC1)NS(=O)(=O)c2ccc(C)cc2 Tox21_111956_1 -NCGC00249417-02 196713045 tox21-ror-cho-viability-p1 set2 4 -1.75831071 1.33858594 0.23553467 0.46347893 0.32111116 1.88565492 -1.27011584 3.13101904 -0.63333612 -2.11034736 2.21907095 -1.15154838 4.48886823 4.32790206 -0.85636264 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 254877-67-3 213037 170466340 A Ataciguat O=S(=O)(Nc3ccc(Cl)cc3C(=O)Nc1ccc(cc1)S(=O)(=O)N2CCOCC2)c4ccc(Cl)s4 Tox21_113203_1 -NCGC00263918-03 196713442 tox21-ror-cho-viability-p1 set2 -3 29.8492948118 -54.3107581249 1.375837061 -52.9349210639 4.0949729863 0.9565935549 0.0000038634 0.90405336 3.84118621 7.12082456 0.51483374 3.47031123 4.13925674 0.06231208 2.95976734 -0.7629795 -2.03549487 -0.55985343 -2.36750352 -0.75933911 -8.02281908 -45.36243422 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_45111 443939 170465451 D Epirubicin hydrochloride Cl.OCC(=O)[C@@]4(O)C[C@H](O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1)c5c(O)c3C(=O)c2c(OC)cccc2C(=O)c3c(O)c5C4 Tox21_110050_1 -NCGC00262909-01 196713447 tox21-ror-cho-viability-p1 set2 1.1 5.9557173066 81.5943076103 -1.8306061155 79.7637014948 2.4063783767 0.9735270575 7.823E-7 1.53577795 -1.07611077 -5.3843478 -4.83959119 -0.28419225 1.36414338 -0.43511121 -0.04527404 -0.11254491 -0.17094772 -0.24461192 13.63927947 67.38439495 72.00342731 22.74158906 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 808-26-4 54688686 170466173 I Ac Sancycline NC(=O)C1=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4cccc(O)c4C(=O)C3=C(O)[C@]2(O)C1=O Tox21_113907 -NCGC00091532-04 196713450 tox21-ror-cho-viability-p1 set2 -2.2 55.1482208978 -59.4852422175 0.7809273879 -58.7043148296 1.752947691 0.9693294185 5.51E-7 0.41206869 -1.00180996 2.71776034 0.25898966 2.49894001 0.01270385 -1.00354296 -0.61815986 2.02204096 2.41256093 1.51219231 1.65078441 -11.56833412 -18.89771475 -44.47296578 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00255119-01 196710974 tox21-ror-cho-viability-p1 set2 4 27.3060203028 6.8905163799 -1.3905163799 5.5 3.1319983358 0.6681499178 0.0554740357 -6.15876365 -0.78241052 -1.59217267 -0.92604684 -2.82766826 -0.88906404 -1.02950974 -0.89936899 0.28891526 -0.15240913 -0.12473845 -0.89255268 -0.07852095 4.2943887 5.20480138 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 363-17-7 9690 144212208 A A N-(2-Fluorenyl)-2,2,2-trifluoroacetamide FC(F)(F)C(=O)Nc1ccc2c3ccccc3Cc2c1 Tox21_301891 -NCGC00255520-01 196710562 tox21-ror-cho-viability-p1 set2 1.4 0.0019331182 20.7244256079 -20.2244256079 0.5 2.3531167061 0.7977024373 0.008420425 -15.18702134 -6.12996209 -0.21090035 -1.46581583 -1.47060831 -1.67682189 -2.10012646 0.07281028 1.06092196 -0.4222627 4.71247062 0.6693171 1.78237807 5.48644939 -0.4362906 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 494-52-0 205586 144212269 A A L-3-(2'-Piperidyl)pyridine n1cc(ccc1)[C@@H]2CCCCN2 Tox21_301952 -NCGC00255897-01 196710563 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -16.924194636 1 -15.924194636 3.6772481694 0.8340682426 0.0036265246 4.64846107 0.73777027 1.08484729 0.46842962 1.84587854 -0.47006563 2.68453182 2.66390816 0.35368567 0.20134775 -1.06646202 1.95960142 -0.48494197 -0.89880756 -11.60349553 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17321-77-6 68539 144212136 A A Clomipramine hydrochloride Cl.CN(C)CCCN2c3ccccc3CCc1ccc(Cl)cc12 Tox21_301819 -NCGC00255108-01 196710971 tox21-ror-cho-viability-p1 set2 4 -6.20693735 -6.74831798 -2.28597273 -7.51782854 -0.57707604 -2.64930196 1.17886858 2.05101146 2.44131746 -5.11845346 -6.72009709 -1.41719703 2.76563807 -4.81915283 -4.12904928 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 53-06-5 222786 144211757 A A Cortisone OCC(=O)[C@@]3(O)CC[C@H]2[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4C(=O)C[C@@]23C Tox21_301440 -NCGC00065890-05 196725051 tox21-ror-cho-viability-p1 set3 4 0.19521783 0.38152056 1.45331929 -3.3165274 -4.14939721 2.13126409 0.85648365 -2.73600213 -1.40559279 -4.78831796 -1.27381998 -1.45288677 2.02600913 -3.75097357 -4.32708117 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 129618-40-2 4463 170464869 A Nevirapine O=C3Nc1c(C)ccnc1N(C2CC2)c4ncccc34 Tox21_110982_1 -NCGC00182996-01 196725053 tox21-ror-cho-viability-p1 set3 4 -0.66337103 -1.16642926 -8.84464895 0.73526808 -1.0876103 0.03658686 1.50713761 1.96904148 7.94112223 -11.58665721 2.6343133 0.94078845 -1.03113353 8.67533989 8.03487432 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 101001-34-7 65870 144206832 A A Pamicogrel O=C(OCC)Cn1cccc1c2nc(c(s2)c3ccc(OC)cc3)c4ccc(OC)cc4 Tox21_113281 -NCGC00016889-06 196725449 tox21-ror-cho-viability-p1 set3 4 -2.39357245 -11.86179115 -0.19031368 -1.39077451 0.70826759 -0.1287405 0.03151554 -4.01815767 -2.61499588 -2.85936495 -3.8522093 -2.95063248 -0.19419801 -0.71468563 -1.27907549 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59804-37-4 54677971 170465677 A Tenoxicam OC=2c1sccc1S(=O)(=O)N(C)C=2C(=O)Nc3ccccn3 Tox21_110666_1 -NCGC00095304-05 196725464 tox21-ror-cho-viability-p1 set3 4 3.11770137 0.1829438 3.6646429 -0.34154284 5.63795036 -1.73249533 3.46917875 2.75914882 7.99718652 9.5945453 0.82935378 2.32194271 2.79077413 3.0949062 5.97808731 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67-45-8 5323714 170464641 F Furazolidone [O-][N+](=O)c2oc(/C=N/N1CCOC1=O)cc2 Tox21_111502_1 -NCGC00168774-02 196725469 tox21-ror-cho-viability-p1 set3 4 1.13750966 1.88993362 -0.18487614 -4.36523169 -4.89934088 -0.02516916 3.8416556 -0.46545446 14.75599644 -1.01639532 -1.04738014 0.14915765 -1.09382359 -8.63076737 -6.97470515 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 161735-79-1 3052775 170465410 A Rasagiline mesylate CS(=O)(=O)O.C#CCN[C@@H]2CCc1ccccc12 Tox21_112635_1 -NCGC00016322-13 196725867 tox21-ror-cho-viability-p1 set3 4 0.0016785492 -7.288778512 5 -2.288778512 3.1319983358 0.4874593299 0.1923100201 4.52898605 3.18630352 -1.81966596 0.30092026 -7.74064876 1.59639497 -5.65737688 -1.32510438 -3.37370019 -2.55794563 -2.89341701 -3.16686021 -0.2641684 -2.37719753 -1.11944079 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80-08-0 2955 170464895 A Dapsone Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2 Tox21_110371_1 -NCGC00249883-01 196725865 tox21-ror-cho-viability-p1 set3 4 4.42208732 3.1151191 3.61759346 -1.99385188 2.11696668 3.79120941 10.62981074 7.93874389 12.35333457 16.4219735 7.54880077 -0.62128201 6.82647328 3.90985581 -1.36939789 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 76-47-1 84088 170465314 A A Hydrocortamate CCN(CC)CC(=O)OCC(=O)[C@@]4(O)CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_113659 -NCGC00072886-03 196725869 tox21-ror-cho-viability-p1 set3 4 -0.21972443 -0.22114081 0.59702979 3.27631337 1.92380899 4.23158041 11.38974692 9.78262446 -13.22128542 10.52941853 2.64537305 4.52762689 1.92408948 2.13022091 1.28483497 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54188-38-4 68713 170466367 Ac Metralindole COc1cc4c(cc1)n3CCN(C)C2=NCCc4c23 Tox21_110986_1 -NCGC00160527-03 196704545 tox21-ror-cho-viability-p1 set1 4 -0.10180646 0.48063297 -0.38917414 -0.1736364 -2.21600135 -0.18422228 -2.07174092 -2.63269393 0.60160028 0.33437426 0.30430667 -0.19253031 -0.37029681 -0.00343185 -8.75331625 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112885-42-4 119583 170466008 A Mosapride citrate O=C(O)C(O)(CC(=O)O)CC(=O)O.Clc1cc(c(OCC)cc1N)C(=O)NCC3CN(Cc2ccc(F)cc2)CCO3 Tox21_111874_1 -NCGC00178319-06 196704527 tox21-ror-cho-viability-p1 set1 4 29.8492948118 7.4840080319 -2.4840080319 5 3.2974983358 0.3190780524 0.3545423779 -1.80158955 -2.90136038 -0.20011394 -0.80512324 0.03227818 -2.7149388 -1.98800697 -3.86057939 0.28912993 -1.1528611 -8.73667336 -4.55398758 -1.08388103 -0.74571265 3.57552893 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15318-45-3 27200 170465845 A Thiamphenicol O=S(C)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_110577_1 -NCGC00091499-05 196704536 tox21-ror-cho-viability-p1 set1 4 -3.05057817 -3.4759781 -0.14819899 -0.15235711 -1.51587175 -1.85914993 -2.36885413 0.48487962 -1.35956193 -3.10166087 0.35963756 1.67335241 1.51597012 1.66033716 0.84278151 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00167474-04 196704939 tox21-ror-cho-viability-p1 set1 4 0.33843842 3.05360887 1.51252122 -5.95502128 -5.50201341 0.40833612 -5.69003633 0.69015844 -1.94820101 -0.50400002 -1.36111062 3.0983073 0.95571283 -6.01051263 -1.90237983 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 139481-59-7 2541 170466386 A Candesartan O=C(O)c4cccc5nc(OCC)n(Cc1ccc(cc1)c2ccccc2c3nnnn3)c45 Tox21_112478_1 -NCGC00247718-01 196704940 tox21-ror-cho-viability-p1 set1 4 2.59876637 -1.43699911 -2.99222186 -5.24067509 -3.66340191 0.4349534 -0.5711883 -3.45905053 -4.88008828 -4.39283205 -1.55770268 -3.31622745 -3.46080169 1.99155679 -2.07076297 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 1934-71-0 200391 144206434 A A 1-Phenylcyclohexylamine hydrochloride Cl.NC1(CCCCC1)c2ccccc2 Tox21_112881 -NCGC00167434-02 196704941 tox21-ror-cho-viability-p1 set1 4 -3.73839203 -2.20005192 0.18649967 -2.35216561 -1.67351365 -5.80104585 0.38237744 -1.14072384 -1.77032868 -3.60550367 -6.07838441 -2.09431717 -1.27212792 -2.12713313 0.08565172 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 100299-08-9 443866 170465431 A Pemirolast potassium [K+].CC3=CC=CN1C3=NC=C(C1=O)c2[n-]nnn2 Tox21_112438_1 -NCGC00179456-04 196704942 tox21-ror-cho-viability-p1 set1 4 2.64591559 1.35926801 1.82263284 0.95065563 -0.20963096 0.77942365 0.5580641 -7.22929013 -7.93531918 -0.02647865 2.84730684 1.56192866 4.70897919 1.89003279 0.8074896 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 596-51-0 11693 170465427 A Glycopyrrolate bromide [Br-].C[N+]3(C)CCC(OC(=O)C(O)(c1ccccc1)C2CCCC2)C3 Tox21_113144_1 -NCGC00018121-07 196704944 tox21-ror-cho-viability-p1 set1 4 2.1926332 -1.27945647 -1.38314124 2.30304865 -1.117838 -1.46258814 0.94190407 -0.31937728 0.61388812 -1.31936733 1.88155488 1.14883449 -1.08650339 1.85861957 -1.03891763 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 603-00-9 4977 170465953 A Proxyphylline CC(O)Cn2cnc1c2C(=O)N(C)C(=O)N1C Tox21_110471_1 -NCGC00255421-01 196700810 tox21-ror-cho-viability-p1 set1 4 0.1368542878 4.6552275479 -5.6552275479 -1 4.4494702849 0.3623781102 0.3098893267 -4.38649346 -2.3250389 -6.11999781 -4.28739442 -1.81956246 -15.12935629 -1.36720944 -0.60982995 0.3211855 -1.78815802 -2.44074912 -1.56204532 -1.82205578 0.25799243 0.83808528 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-65-0 32897 144211861 A D 2-((Dimethylamino)methyl)phenol Oc1ccccc1CN(C)C Tox21_301544 -NCGC00255631-01 196700403 tox21-ror-cho-viability-p1 set1 4 1.39066951 0.51197153 3.99079204 7.38097913 4.12659799 1.82200483 0.55202076 -0.61527217 3.84775893 5.65635015 0.07095994 1.68202547 1.03637923 4.59745558 2.69025337 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7681-82-5 5238 144211696 Sodium iodide I[Na] Tox21_301379 -NCGC00256012-01 196700407 tox21-ror-cho-viability-p1 set1 4 -2.80394567 -4.09133479 -0.01331727 -3.45218383 -4.72045156 -0.14675479 0.10687654 -3.78481976 -7.78897961 -0.25287467 -1.26575962 -2.67685939 -15.86489935 -0.68385464 -1.10518702 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 36673-16-2 3744660 144212110 F Isopropyl triethanolamine titanate CC(C)O[Ti](OCCN(CCO)CCO)(OC(C)C)OCCN(CCO)CCO Tox21_301793 -NCGC00255177-01 196700803 tox21-ror-cho-viability-p1 set1 4 -3.29243855 -4.03276367 -6.29916003 -3.31816368 -4.07291426 -4.96716024 -4.80962029 -9.44970714 -5.41628986 -14.03047047 -7.04094809 -6.55746415 -2.76962295 -13.69198928 -4.70477976 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22248-79-9 5284462 144212068 A A Z-Tetrachlorvinphos Clc1cc(C(=C\Cl)\OP(=O)(OC)OC)c(Cl)cc1Cl Tox21_301751 -NCGC00256090-01 196700820 tox21-ror-cho-viability-p1 set1 4 -3.77464453 -1.405955 0.2334158 -3.11177906 2.53049773 -2.54854385 0.09733542 -10.07157091 1.64320846 -1.6382801 1.65283986 4.49443451 0.48214975 -2.09951555 0.37777845 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 553-70-8 62371 144212580 Magnesium dibenzoate [Mg+2].[O-]C(=O)c1ccccc1.[O-]C(=O)c1ccccc1 Tox21_302263 -NCGC00257585-01 196702812 tox21-ror-cho-viability-p1 set1 4 -0.52306797 -0.12103931 1.26199902 -3.34343311 -3.61859458 0.48130557 -2.92782456 3.34304581 -0.1811888 0.70955191 -5.93467585 0.38984139 -19.5891189 0.13729618 0.49552649 1.2069999999E-9 2.6979999999E-9 6.033E-9 1.349E-8 3.017E-8 6.745E-8 1.5079999999E-7 3.373E-7 7.541E-7 0.0000016859999999 0.0000037709999999 0.000008432 0.00001885 0.000042159999999 0.000094269999999 1585-07-5 15313 144207229 AC Ac 1-Bromo-4-ethylbenzene CCc1ccc(Br)cc1 Tox21_200031 -NCGC00258314-01 196701982 tox21-ror-cho-viability-p1 set1 4 -0.01673559 2.63202339 2.23049816 6.24376378 5.15355465 6.15849433 7.9146161 1.80192311 9.27326084 4.21979591 2.23305148 1.87554258 0.05878557 1.22182845 1.8491334 1.1859999999E-9 2.651E-9 5.929E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008286 0.00001853 0.000041429999999 0.00009264 98-46-4 7386 144207958 A A 1-Nitro-3-(trifluoromethyl)benzene O=[N+]([O-])c1cc(ccc1)C(F)(F)F Tox21_200760 -NCGC00257952-01 196701986 tox21-ror-cho-viability-p1 set1 -2.2 54.759821084 -39.28325252 -3.5 -42.78325252 1.8851180601 0.8096766348 0.006453121 -5.77602372 -10.13351775 -9.63682605 -4.57479802 -6.07228976 1.31599173 -3.88512849 0.55073353 1.57344662 -7.31664655 -2.84852797 1.24470589 -7.31406122 -19.02860264 -32.3193771 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6239999999E-8 1.481E-7 3.312E-7 7.405E-7 0.000001656 0.0000037029999999 0.000008279 0.00001851 0.0000414 0.000092569999999 140-57-8 8809 144207596 FNS Aramite CC(C)(C)c1ccc(OCC(C)OS(=O)OCCCl)cc1 Tox21_200398 -NCGC00258621-01 196702412 tox21-ror-cho-viability-p1 set1 -2.4 30.5132723993 -35.1529680279 3.5 -31.6529680279 1.4163171 0.9044201182 0.0002570547 8.95333315 2.85295539 1.85192331 5.9020454 1.11529749 0.68766077 4.65745677 3.7780208 1.54341346 3.22024095 0.53150656 0.1436671 -12.27156876 -12.09921138 -29.71080669 1.1759999999E-9 2.63E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.576E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.00000822 0.000018379999999 0.0000411 0.0000919 1689-99-2 15533 144208266 C Bromoxynil octanoate Brc1cc(cc(Br)c1OC(=O)CCCCCCC)C#N Tox21_201068 -NCGC00091468-02 196702013 tox21-ror-cho-viability-p1 set1 4 12.4083198704 6.285756136 0.214243864 6.5 3.9899729863 0.5040715589 0.176907978 4.40522222 2.15558963 2.10200284 -2.88949231 -2.5545219 -2.01158752 0.84003433 1.00888486 3.18645808 0.85037908 -3.15479678 0.05680744 7.84887388 5.76242627 5.20159886 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00258459-01 196701588 tox21-ror-cho-viability-p1 set1 4 -2.54452555 -7.20184641 -3.46457716 -6.25597718 -4.80912234 -8.46207957 -9.05653112 -4.48125689 -2.81335607 -5.98290886 -7.97578343 -0.98687428 -0.51312432 -0.15280484 -11.31347589 1.2319999999E-9 2.755E-9 6.1599999999E-9 1.3769999999E-8 3.08E-8 6.887E-8 1.54E-7 3.444E-7 7.6999999999E-7 0.000001722 0.0000038499999999 0.000008609 0.00001925 0.000043039999999 0.00009625 75-89-8 6409 144208103 A 2,2,2-Trifluoroethanol FC(F)(F)CO Tox21_200905 -NCGC00257860-01 196701589 tox21-ror-cho-viability-p1 set1 4 -0.63210893 0.49957426 -0.06350841 2.47176754 3.03735959 0.16392842 1.66228629 5.44412275 -4.47185565 6.52456316 1.72570062 -2.92040431 4.32949685 1.46155674 8.87904993 1.202E-9 2.688E-9 6.01E-9 1.344E-8 3.005E-8 6.719E-8 1.503E-7 3.36E-7 7.5129999999E-7 0.0000016799999999 0.0000037559999999 0.0000083989999999 0.00001878 0.000042 0.000093909999999 2404-44-6 16993 144207504 AC C 1,2-Epoxydecane CCCCCCCCC1CO1 Tox21_200306 -NCGC00258561-01 196701598 tox21-ror-cho-viability-p1 set1 4 -4.7461664 -7.6353235 -0.57020175 -4.2618193 -2.72531172 -8.55147073 -10.53656373 -7.74088402 -1.0977813 -0.78265113 1.33728817 -7.23734581 -10.90734403 -5.80866498 -5.01590566 1.1689999999E-9 2.6129999999E-9 5.844E-9 1.3069999999E-8 2.922E-8 6.5339999999E-8 1.461E-7 3.267E-7 7.305E-7 0.0000016329999999 0.000003652 0.000008167 0.00001826 0.000040829999999 0.000091309999999 120-37-6 8428 144208206 A D 3-Ethylamino-4-methylphenol Oc1ccc(C)c(NCC)c1 Tox21_201008 -NCGC00257579-01 196702417 tox21-ror-cho-viability-p1 set1 4 0.16359291 2.80988143 0.80824785 -4.83691312 0.12047963 -2.82172521 -12.92361658 2.04336588 -3.70490655 0.51575041 1.74988828 3.78809048 -7.36327536 5.11022831 3.09376771 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.0000036909999999 0.000008252 0.000018449999999 0.000041259999999 0.00009226 938-73-8 3282 144207223 A A 2-Ethoxybenzamide CCOc1ccccc1C(N)=O Tox21_200025 -NCGC00091468-02 196702422 tox21-ror-cho-viability-p1 set1 4 -0.0520765 0.01286264 -2.71245717 -1.59223929 -3.99424499 -4.33644141 -0.51786771 0.91735975 -0.61898797 -0.30831638 0.7102249 -1.47501561 1.49623239 1.41031347 4.24334265 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00091278-03 196702439 tox21-ror-cho-viability-p1 set1 4 19.3311819617 -11.245371008 -2 -13.245371008 0.5 0.3922004097 0.2807685434 -4.75666403 1.27109297 0.4599837 -1.23286498 -9.00976916 0.37710478 -6.74802855 0.46849967 -0.43893994 -8.32272952 -7.35663815 -3.44889764 -8.88099365 -7.77190872 -10.20447584 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00258725-01 196702833 tox21-ror-cho-viability-p1 set1 4 0.47339723 -3.53801388 1.90733503 9.2946188 -1.68458984 4.56412906 7.47716613 1.46089858 1.77607252 0.07475265 6.13840497 1.45485652 1.55674205 4.79596571 -6.56664874 1.185E-9 2.651E-9 5.927E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3129999999E-7 7.409E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009261 7756-96-9 24433 144208371 A A Butyl anthranilate Nc1ccccc1C(=O)OCCCC Tox21_201173 -NCGC00257697-01 196702835 tox21-ror-cho-viability-p1 set1 4 4.18736827 1.80069949 8.60186842 4.6165219 7.37598124 0.80428143 15.09457209 4.21313125 2.61017123 0.94710987 4.86114389 1.54216714 7.91372757 7.80546941 6.15754339 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.626E-8 1.482E-7 3.3129999999E-7 7.408E-7 0.000001656 0.000003704 0.000008282 0.00001852 0.000041409999999 0.000092589999999 98-09-9 7369 144207341 A Benzenesulfonyl chloride O=S(=O)(Cl)c1ccccc1 Tox21_200143 -NCGC00258589-01 196702841 tox21-ror-cho-viability-p1 set1 4 -0.27250296 -0.13895035 -5.02618113 2.97974664 1.91186591 5.83724337 -1.02859088 1.3799238 4.35311583 1.33201005 -3.2931993 -0.08115188 4.06696687 -0.63278661 0.97976871 1.182E-9 2.6429999999E-9 5.91E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.304E-7 7.387E-7 0.0000016519999999 0.0000036939999999 0.000008259 0.000018469999999 0.000041299999999 0.00009234 540-51-2 10898 144208234 AC Bc 2-Bromo-1-ethanol BrCCO Tox21_201036 -NCGC00163771-03 196713487 tox21-ror-cho-viability-p1 set2 4 -0.32204211 0.1510205 -1.4308658 -1.49381048 -0.93673457 -0.55874517 0.28837262 -0.26801543 -0.26313473 0.55811422 -1.98455993 -0.41864924 0.28809579 2.93389688 0.56600284 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00254559-01 196714699 tox21-ror-cho-viability-p1 set2 -3 68.5198756601 -42.5265822948 0 -42.5265822948 4.9549173134 0.8953077917 0.0004052962 0.6719562 0.47101357 0.47204034 0.03987618 0.59210208 1.90040618 1.65321989 0.86466172 4.58995912 -4.46483427 -0.27449318 -4.31678938 -7.31352433 -0.23899378 -34.94173198 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 51707-55-2 40087 144210968 A A Thidiazuron O=C(Nc1ccccc1)Nc2cnns2 Tox21_300651 -NCGC00254286-01 196714703 tox21-ror-cho-viability-p1 set2 4 0.14120767 -3.13275097 0.27816985 -1.19153668 -2.63571293 -5.57230643 -4.03925218 -5.82868757 -5.53133967 -6.6984713 -2.21543017 -2.97542029 -4.6758369 -4.36673071 -1.72727309 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 36653-82-4 2682 144210643 A Ac 1-Hexadecanol CCCCCCCCCCCCCCCCO Tox21_300325 -NCGC00254344-01 196714711 tox21-ror-cho-viability-p1 set2 4 -0.71152667 -0.20165076 0.66171956 0.06155336 -0.17422536 -6.17931645 -1.04005834 -0.10212515 -1.45620601 -5.24934207 -3.3944217 -5.6733803 -6.27216048 -4.88328754 -8.70539683 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 824-78-2 13214 144210795 A A Sodium 4-nitrophenolate [Na+].O=[N+]([O-])c1ccc([O-])cc1 Tox21_300477 -NCGC00165810-02 196712647 tox21-ror-cho-viability-p1 set2 4 -0.86679739 -1.85032085 -1.71890679 0.33122928 -0.13522574 -1.77012845 0.39863774 -0.01649808 -2.41976073 -0.3428844 -0.40327575 -0.42419407 -10.03446941 0.20372327 0.20520478 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 38821-52-2 38102 170466233 A Indoramin hydrochloride Cl.O=C(NC3CCN(CCc1cnc2ccccc12)CC3)c4ccccc4 Tox21_112265_1 -NCGC00164548-02 196712650 tox21-ror-cho-viability-p1 set2 1.1 1.4575039053 87.1783005444 1.8279014289 89.0062019733 3.5722481694 0.9938689195 0 6.88008831 -1.25134834 1.72592506 7.67452042 -0.22825066 -0.99780591 1.1105046 0.7122886 2.13328263 0.64981328 17.77406366 71.0574367 82.8273212 90.45345729 89.70454202 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 112398-08-0 71335 170466637 B Danofloxacin CN5C[C@@H]4C[C@H]5CN4c1cc2N(C=C(C(=O)O)C(=O)c2cc1F)C3CC3 Tox21_112177_1 -NCGC00095978-06 196713074 tox21-ror-cho-viability-p1 set2 4 4.25285932 4.67994154 4.47094027 -1.55419819 -1.51170831 3.71651247 -1.54300605 -2.49229225 -1.96228673 1.85411096 2.00306782 -1.38433787 3.30928243 1.10472468 -0.74532439 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103055-07-8 71777 170465736 Z Lufenuron Clc2cc(NC(=O)NC(=O)c1c(F)cccc1F)c(Cl)cc2OC(F)(F)C(F)C(F)(F)F Tox21_111542_1 -NCGC00018230-09 196713488 tox21-ror-cho-viability-p1 set2 4 1.21673116 0.94557885 2.92526039 1.7318447 -0.89727037 -5.22393603 -0.80383858 1.43290305 1.03839795 0.39575577 1.04229243 0.09245298 0.52698556 -0.03333365 4.59499664 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17692-31-8 3169 170466654 A Dropropizine OC(CN1CCN(CC1)c2ccccc2)CO Tox21_110842_1 -NCGC00254874-01 196713888 tox21-ror-cho-viability-p1 set2 4 -4.31486049 -2.47576459 -3.69456655 -4.36818527 -2.33568251 -5.22211283 -5.82457107 -2.63960486 -3.45533916 -1.92220961 -0.51211489 -7.1887458 -5.30482261 -2.46240606 -15.87872368 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-95-3 61014 144211288 A A 1,4-Dioxacycloheptadecane-5,17-dione O=C1CCCCCCCCCCCC(=O)OCCO1 Tox21_300971 -NCGC00254909-01 196713897 tox21-ror-cho-viability-p1 set2 4 -4.57855595 -1.39735755 -0.05718412 -0.86717372 -5.85253702 -3.62330533 -5.83270258 -10.97605826 -7.3827483 -2.40842067 -6.01318412 -1.58246991 -2.66394882 -4.42668067 0.89777902 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 114311-32-9 86137 144211324 A A Imazamox CC1(N=C(NC1=O)c2ncc(COC)cc2C(=O)O)C(C)C Tox21_301007 -NCGC00255020-01 196713898 tox21-ror-cho-viability-p1 set2 4 1.25975498 4.21290301 0.25185009 -0.5690968 1.21047936 0.53854894 1.61731112 0.43986714 -0.27562687 -1.96008997 1.50232493 3.71490608 4.90137168 3.37578932 -2.70159708 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1878-49-5 74651 144211438 Ac Ac (2-Methylphenoxy)acetic acid O=C(O)COc1ccccc1C Tox21_301121 -NCGC00254305-01 196714298 tox21-ror-cho-viability-p1 set2 4 -10.94486742 -10.851724 -11.11020972 -9.16990143 -11.50403576 -7.89329749 -12.25163116 -12.803889 -9.32326261 -6.81505546 -6.08275161 -8.30359247 -6.47242726 -7.84149265 -3.2163315 1.1379999999E-9 2.546E-9 5.692E-9 1.2729999999E-8 2.8459999999E-8 6.3639999999E-8 1.423E-7 3.182E-7 7.115E-7 0.0000015909999999 0.0000035579999999 0.000007955 0.000017789999999 0.00003978 0.00008894 4151-50-2 77797 144210695 Sulfluramid FC(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)NCC Tox21_300377 -NCGC00255013-01 196714310 tox21-ror-cho-viability-p1 set2 4 2.93856451 0.37968779 0.78866127 2.24657312 3.13327739 0.8496119 -0.11040678 0.74411514 0.35568462 2.75615423 0.08540195 0.89268143 2.91389307 -1.68094194 -0.5409822 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_24824 22833489 144211430 FC Chlorinated paraffins:C12, 60% chlorine ClC(CC(Cl)C(Cl)C(Cl)CC)C(Cl)C(C)Cl Tox21_301113 -NCGC00356959-01 196724286 tox21-ror-cho-viability-p1 set3 4 1.1883218301 -13.612970444 11.5 -2.112970444 4.9549173134 0.5883786759 0.1052919279 12.12451457 0.87340458 7.22550936 12.39374845 14.46874337 10.77576499 18.18482237 17.38972041 8.62236769 12.55628601 -4.04942352 3.55734601 4.57679856 -10.92747537 -2.39322046 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123-02-4 31238 251919699 F 1-Phenyltridecane CCCCCCCCCCCCCc1ccccc1 Tox21_303706 -NCGC00256646-01 196727131 tox21-ror-cho-viability-p1 set3 4 6.6641225509 5.1285642599 -3.1285642599 2 3.9294729863 0.4593018361 0.2185115383 1.6772669 -4.48370584 -3.68102314 -3.76002782 -2.03790445 -4.53024591 -8.02380355 0 -1.29516518 -5.4441936 -2.75527264 0.52086129 1.33493976 0.84139071 3.04348876 1.152E-9 2.576E-9 5.759E-9 1.288E-8 2.8799999999E-8 6.439E-8 1.44E-7 3.22E-7 7.199E-7 0.00000161 0.0000036 0.0000080489999999 0.000018 0.00004024 0.00008999 475-31-0 10140 144212866 A A Glycocholic acid O=C(O)CNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C Tox21_302549 -NCGC00256882-01 196727138 tox21-ror-cho-viability-p1 set3 4 6.1130564862 6.738923888 -3.238923888 3.5 4.9549173134 0.3996215092 0.2733505726 0.75650754 -0.17707843 1.78678269 -6.62047257 -6.25747336 -7.07240847 -7.69910324 -1.50753854 -0.57323078 0.72490997 -7.03394634 4.37225313 5.76441988 1.45771469 1.62175775 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2897-60-1 62467 144212978 F F Diethoxy(methyl)[3-(oxiran-2-ylmethoxy)propyl]silane C[Si](CCCOCC1CO1)(OCC)OCC Tox21_302661 -NCGC00260297-01 196724280 tox21-ror-cho-viability-p1 set3 4 -2.42183947 -0.14413394 5.21139424 3.68352192 -2.79925567 -0.57374023 -2.09306237 7.71838432 7.87444795 -3.70825346 -0.59085008 -2.14372713 4.20035776 3.29361535 4.23699405 2.7849999999E-10 6.228E-10 1.3929999999E-9 3.1139999999E-9 6.9629999999E-9 1.557E-8 3.482E-8 7.785E-8 1.741E-7 3.8929999999E-7 8.704E-7 0.0000019459999999 0.000004352 0.000009732 0.00002176 4860-03-1 20993 144209947 Fns 1-Chlorohexadecane CCCCCCCCCCCCCCCCCl Tox21_202749 -NCGC00260026-01 196724285 tox21-ror-cho-viability-p1 set3 4 8.368199033 6.5536974079 -3.5536974079 3 4.9549173134 0.3177942113 0.3518279337 -10.04474784 -6.68421148 0.36469315 -3.39744982 -4.29525524 -5.5899471 1.98249729 -3.96181538 -9.46950354 0.00324862 2.07405113 -6.51277003 1.27495341 4.18462596 1.6500775 5.873E-10 1.313E-9 2.9369999999E-9 6.566E-9 1.468E-8 3.283E-8 7.3419999999E-8 1.642E-7 3.6709999999E-7 8.2079999999E-7 0.0000018349999999 0.000004104 0.0000091769999999 0.00002052 0.00004588 91-93-0 7069 144209675 F F 3,3'-Dimethoxybenzidine-4,4'-diisocyanate COc1cc(ccc1/N=C=O)c2ccc(\N=C=O)c(OC)c2 Tox21_202477 -NCGC00260394-01 196724293 tox21-ror-cho-viability-p1 set3 4 -5.18609588 -2.97797389 -1.46785441 -1.61000971 -1.20474462 -4.32633358 -2.0940635 1.42662279 0.1724749 4.00540375 2.94782764 2.39560853 -0.97826752 -0.85236192 3.31965514 1.227E-9 2.743E-9 6.133E-9 1.371E-8 3.066E-8 6.857E-8 1.5329999999E-7 3.4279999999E-7 7.6659999999E-7 0.0000017139999999 0.000003833 0.000008571 0.00001916 0.00004285 0.000095819999999 562-49-2 11229 144210046 Fns Pentane,3,3-dimethyl- CC(C)(CC)CC Tox21_202848 -NCGC00357162-01 196724296 tox21-ror-cho-viability-p1 set3 4 0.0037578036 -8.021904804 2.5 -5.521904804 3.9294729863 0.5335394108 0.165747052 -5.32704564 3.10682542 3.96610647 1.67471197 7.60554357 1.06967045 7.18683961 0.5170522 -0.60875972 -9.18492067 -1.42753828 -7.65782119 -1.70761324 -8.63523115 7.37142613 5.899E-12 1.319E-11 2.949E-11 6.595E-11 1.475E-10 3.2969999999E-10 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 541-85-5 7822 251919810 Fns 5-Methyl-3-heptanone CC(CC)CC(=O)CC Tox21_303912 -NCGC00259383-01 196724696 tox21-ror-cho-viability-p1 set3 4 3.25373818 8.9695558 1.78627357 5.68558716 5.48899477 4.46760509 -2.95056594 -0.94954698 6.21300054 5.47505601 6.08560733 5.0393789 -3.28385149 3.42213226 -3.94849346 1.195E-9 2.671E-9 5.973E-9 1.336E-8 2.986E-8 6.678E-8 1.493E-7 3.3389999999E-7 7.466E-7 0.000001669 0.000003733 0.000008347 0.00001867 0.00004174 0.000093329999999 58-14-0 4993 144209032 A A Pyrimethamine CCc1nc(N)nc(N)c1c2ccc(Cl)cc2 Tox21_201834 -NCGC00260561-01 196724707 tox21-ror-cho-viability-p1 set3 4 0.0059557173 8.570027516 -7.070027516 1.5 3.0654483358 0.6796575792 0.0482624633 -7.91861964 -2.9799819 -10.47502293 -0.17011501 -0.80520114 5.09721277 0.37196362 0.32099781 3.58087118 -2.1284838 2.35025541 2.82527817 0.83539144 2.03984528 1.95570509 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49457 144210214 M M NTP Mix69 CT1 62-EQP Tox21_203016 -NCGC00260540-01 196724709 tox21-ror-cho-viability-p1 set3 4 -2.26778071 7.00782975 4.25976871 -11.34542683 8.07029848 9.67119374 -1.18175479 0.5686671 -1.14757786 -3.38151341 -0.4260074 -0.44605634 -3.16451061 -1.76539357 6.55438817 5.881E-11 1.3149999999E-10 2.9399999999E-10 6.575E-10 1.4699999999E-9 3.288E-9 7.351E-9 1.644E-8 3.676E-8 8.219E-8 1.838E-7 4.1089999999E-7 9.189E-7 0.000002055 0.000004594 118-74-1 8370 144210193 Z Hexachlorobenzene Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl Tox21_202995 -NCGC00357169-01 196724713 tox21-ror-cho-viability-p1 set3 4 0.0544826733 -6.2652158879 1 -5.2652158879 4.9549173134 0.411308816 0.2620201126 -3.40742744 0.49848617 2.37846636 3.21696878 2.62485824 -3.87761971 -12.12919358 -2.53689865 -2.18557725 -4.15563744 -3.38230999 -12.72101324 -3.67340965 -1.96059753 -3.04031254 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65-71-4 1135 251919935 A Thymine CC1=CNC(=O)NC1=O Tox21_303929 -NCGC00257629-01 196701639 tox21-ror-cho-viability-p1 set1 4 -3.60641053 -5.60602651 -3.77772531 -0.59860013 -9.36325539 -5.10102576 -10.20633513 -4.7777714 -1.07673137 -9.38678258 -8.26667294 -8.46669636 -4.7407361 -5.62186096 -2.65246328 1.198E-9 2.679E-9 5.992E-9 1.34E-8 2.996E-8 6.6989999999E-8 1.4979999999E-7 3.3489999999E-7 7.4889999999E-7 0.000001675 0.000003745 0.000008373 0.000018719999999 0.00004187 0.00009362 95-79-4 7260 144207273 A A 5-Chloro-2-methylaniline Nc1cc(Cl)ccc1C Tox21_200075 -NCGC00258536-01 196702884 tox21-ror-cho-viability-p1 set1 4 -7.4787744 -7.55922201 -10.37736222 -7.8632325 -15.68590654 -2.79759458 -11.3936103 -1.81606937 0.24809899 -9.0620401 -5.7560063 -3.91175316 -12.68052844 -9.65551112 -3.75965669 1.155E-9 2.583E-9 5.775E-9 1.291E-8 2.8879999999E-8 6.457E-8 1.444E-7 3.229E-7 7.2189999999E-7 0.000001614 0.0000036099999999 0.000008071 0.000018049999999 0.00004036 0.000090239999999 110-46-3 8053 144208181 D 3-Methylbutyl nitrite CC(C)CCON=O Tox21_200983 -NCGC00257971-01 196701643 tox21-ror-cho-viability-p1 set1 4 12.2467835704 25.119373912 -7.119373912 18 0.3 0.6327599033 0.0747878786 -4.10959579 -1.68971194 -13.84947826 -1.31019492 -1.50480854 -8.08344833 0.07048834 3.44643564 -1.48115811 5.0362537 3.95424397 1.24014581 3.51877876 7.13769309 12.90271846 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.96E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 2809-21-4 3305 144207615 A Ac Etidronic acid CC(O)(P(O)(=O)O)P(=O)(O)O Tox21_200417 -NCGC00258041-01 196702489 tox21-ror-cho-viability-p1 set1 4 -0.35977614 1.17875849 0.84355156 4.9887897 0.37541813 1.43782582 1.47775801 -0.36354332 -8.52592555 -0.90417757 2.58116388 1.27622961 5.57879372 1.38165899 0.8574028 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.00004119 0.000092099999999 51-55-8 174174 144207685 A A Atropine CN3[C@H]1CC[C@@H]3C[C@@H](C1)OC(=O)C(CO)c2ccccc2 Tox21_200487 -NCGC00357113-01 196702907 tox21-ror-cho-viability-p1 set1 4 0.14137734 -0.06357271 -1.26488729 -0.63020294 0.48902432 1.72645368 -1.34322592 -1.31962853 5.88739008 0.01936352 3.63307019 -2.81502464 -0.08261939 1.62337694 2.81175419 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-53-8 7146 251919974 F Hydratropaldehyde CC(C=O)c1ccccc1 Tox21_303843 -NCGC00356938-01 196703300 tox21-ror-cho-viability-p1 set1 4 -4.13788542 -4.28227374 -4.09089445 0.90344241 -3.18700247 0.49628174 -7.14739796 -2.50256523 -0.21476233 -0.68996151 0.02146334 0.542512 -6.7491529 -3.3470179 -6.98618551 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 619-50-1 12083 251919661 A Methyl p-nitrobenzoate O=[N+]([O-])c1ccc(cc1)C(=O)OC Tox21_303702 -NCGC00260645-01 196703302 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -10.81553692 0.5 -10.31553692 4.5044702849 0.5750854467 0.1176559658 0.20206169 2.42596334 2.52090661 -0.92509098 -2.08866918 0.06989978 -3.39385372 3.91887446 -0.46622671 2.39565489 -0.10523698 0.29999214 2.66049857 -0.58517249 -8.1796141 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49541 144210298 M M NTP Mix86 ER AR1 18-EQP Tox21_203100 -NCGC00260595-01 196703304 tox21-ror-cho-viability-p1 set1 4 2.00944508 -0.47045399 -0.92545288 -4.00394304 0.17653476 -2.87608066 -7.75205063 2.01785745 -2.62198629 -3.97395524 -6.46243527 0.67363976 -3.72719435 -0.42834907 2.18839398 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49491 144210248 M M NTP Mix50 CT1 3-EQP Tox21_203050 -NCGC00163919-02 196703305 tox21-ror-cho-viability-p1 set1 4 27.9459419698 -13.299587436 2.5 -10.799587436 4.9549173134 0.7441291497 0.0278256497 4.83834091 4.2360271 4.34792279 -0.3169172 3.26858244 2.58617549 6.00910362 2.21115434 0.35212653 0.34354759 0.00923078 3.2551087 1.05160712 -9.83298953 -3.34739667 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00357014-01 196703715 tox21-ror-cho-viability-p1 set1 4 5.8024275581 -14.0938678959 0.5 -13.5938678959 1.9673362061 0.7250661127 0.0356225652 0.24577151 0.54896413 -0.59251859 0.14041385 -1.60707446 0.46879825 0.28852162 2.11856269 3.26886494 1.97098228 -4.57482753 -0.89501509 -2.43870736 -12.16155658 -0.68263516 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 17354-14-2 3766139 251919799 A 1,4-Bis(butylamino)anthracene-9,10-dione O=C2c1ccccc1C(=O)c3c2c(ccc3NCCCC)NCCCC Tox21_303986 -NCGC00357043-01 196703722 tox21-ror-cho-viability-p1 set1 4 2.93642783 0.17469159 7.58620819 7.89030836 4.88974802 -0.35049878 5.4942027 4.26610572 -0.15459595 -1.4248658 1.9275223 -2.322857 4.74084023 3.78036733 1.9403242 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17557-23-2 28594 251919689 F Neopentyl glycol diglycidyl ether CC(C)(COCC1CO1)COCC2CO2 Tox21_303734 -NCGC00260400-01 196703725 tox21-ror-cho-viability-p1 set1 4 78.6838064286 -25.4576806599 -1 -26.4576806599 4.9549173134 0.5792037246 0.112415532 2.73502055 4.89064278 6.68892079 -7.69222953 -3.70749768 -0.04922713 -4.36854532 -3.60941408 -7.22470521 -4.78838556 -0.11411758 1.88297165 -0.34141224 0.07790481 -20.38140055 1.202E-9 2.688E-9 6.0109999999E-9 1.344E-8 3.005E-8 6.7199999999E-8 1.503E-7 3.36E-7 7.5129999999E-7 0.0000016799999999 0.0000037569999999 0.0000084 0.00001878 0.000042 0.00009392 60-82-2 4788 144210052 A A Phloretin O=C(CCc1ccc(O)cc1)c2c(O)cc(O)cc2O Tox21_202854 -NCGC00260098-01 196703730 tox21-ror-cho-viability-p1 set1 4 -2.75162124 -11.26120338 -3.12064019 -3.42754003 -9.21498404 -3.83374316 -4.68101784 -8.20083464 -5.92290468 -2.52462107 -1.50590494 -6.10352493 -13.75017596 -18.72359695 -3.23404108 1.262E-9 2.823E-9 6.312E-9 1.4109999999E-8 3.156E-8 7.0569999999E-8 1.578E-7 3.529E-7 7.89E-7 0.000001764 0.0000039449999999 0.0000088209999999 0.00001973 0.000044109999999 0.00009863 101200-48-0 153909 144209747 A Tribenuron-methyl Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c2ccccc2C(=O)OC Tox21_202549 -NCGC00260271-01 196704097 tox21-ror-cho-viability-p1 set1 4 0.0593940724 -6.1639812919 0.5 -5.6639812919 4.9549173134 0.3167877663 0.3673030409 -0.91660667 -1.42752883 2.52239226 0.96547581 0.72892046 -3.89497504 -12.79693155 -5.53931461 0.39728873 -3.56944472 -0.90078895 -13.46998441 0.39175902 -8.97977763 3.81578678 1.268E-9 2.8359999999E-9 6.342E-9 1.4179999999E-8 3.171E-8 7.09E-8 1.585E-7 3.5449999999E-7 7.9269999999E-7 0.0000017729999999 0.000003964 0.000008863 0.00001982 0.00004431 0.00009909 116-26-7 61041 144209921 A C 2,6,6-Trimethylcyclohexa-1,3-dienylmethanal CC=1C=CCC(C)(C)C=1C=O Tox21_202723 -NCGC00260312-01 196703684 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -29.55953566 -2 -31.55953566 4.9549173134 0.8920365604 0.0004738512 -3.62855745 -1.08778478 -1.17471797 -1.56726513 1.0555433 -0.73228113 -0.04252356 -1.06572364 -1.71628635 -4.46670637 -3.54416161 -5.19834169 -7.01686054 -3.20423511 -26.29961305 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.299E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.00001844 0.00004124 0.00009222 68937-41-7 75628 144209963 F F Triisopropylated phenyl phosphate CC(C)c1ccc(cc1)OP(=O)(Oc2ccc(cc2)C(C)C)Oc3ccc(cc3)C(C)C Tox21_202765 -NCGC00260355-01 196703687 tox21-ror-cho-viability-p1 set1 -2.2 27.0285678219 -35.4634053239 -0.5 -35.9634053239 1.4163171 0.9217766357 0.0000921142 -0.48394216 -0.93973254 -0.01610988 0.35135789 2.55914553 -0.7698336 2.45577236 -0.33568683 -0.28016678 -7.03317985 -6.77999951 -1.07283139 -14.70048046 -20.83823635 -33.30283777 1.1699999999E-9 2.6159999999E-9 5.851E-9 1.3079999999E-8 2.925E-8 6.5409999999E-8 1.463E-7 3.271E-7 7.3129999999E-7 0.000001635 0.000003657 0.000008176 0.00001828 0.00004088 0.00009141 1634-02-2 15412 144210007 F F Tetrabutylthiuram disulfide S=C(SSC(=S)N(CCCC)CCCC)N(CCCC)CCCC Tox21_202809 -NCGC00259778-01 196704096 tox21-ror-cho-viability-p1 set1 -2.1 27.5283213152 -79.9635449739 -0.766882286 -80.7304272599 0.7999999999 0.9500440127 0.0000083626 -0.03576971 -2.64986522 -1.47094599 -0.58851609 -0.18011769 -1.25925488 -3.15593045 -0.96223626 -3.5267783 -13.49792945 -8.08391743 -26.13147134 -39.745526 -37.4473957 -67.27535605 1.188E-9 2.657E-9 5.941E-9 1.3279999999E-8 2.971E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016609999999 0.000003713 0.000008303 0.00001857 0.000041509999999 0.000092829999999 10108-64-2 24633 144209427 Cadmium chloride [Cd+2].[Cl-].[Cl-] Tox21_202229 -NCGC00262923-01 196704500 tox21-ror-cho-viability-p1 set1 4 -1.00539742 0.05978769 -2.08352748 1.6248511 -0.67898754 -3.22450795 1.04676579 -0.93564278 -0.98959108 -4.2246488 -1.38650385 1.99078276 0.92223048 -1.11473242 -6.55784719 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3158-91-6 76619 170466677 A A 2-Chlorodibenz(b,f)-1,4-oxazepin-11(10H)-one Clc1cc2NC(=O)c3ccccc3Oc2cc1 Tox21_113919 -NCGC00022248-04 196704501 tox21-ror-cho-viability-p1 set1 4 0.02434833 0.08759814 0.26478325 1.14594939 0.58286452 0.55146583 0.24366538 0.74482722 2.41584625 -0.05554339 8.78587385 3.65225186 3.48148269 1.28195939 1.44302605 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 125-04-2 23694214 170465053 A Hydrocortisone 21-hemisuccinate sodium salt [Na+].[O-]C(=O)CCC(=O)OCC(=O)[C@@]4(O)CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_113501_1 -NCGC00090750-04 196704505 tox21-ror-cho-viability-p1 set1 4 -5.6626121 -1.491866 -5.43947635 -3.8822561 -3.2964208 -0.86770959 -1.6176188 -3.48925746 -4.54615603 -2.04166966 -4.15927972 -3.26352889 2.74234811 1.10464122 1.57234595 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00095762-04 196704515 tox21-ror-cho-viability-p1 set1 4 9.4391758155 7.186799644 -0.186799644 7 3.6772481694 0.5576375412 0.1310851281 -0.16192791 -2.65566637 -0.62922954 1.18028778 4.19561199 -1.1172798 -0.95423753 4.53025249 -2.14303058 -0.8545733 -0.48344258 -1.43374317 3.91465792 4.2713868 8.96224645 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60-27-5 588 170466777 Z Creatinine N=C1NC(=O)CN1C Tox21_111516_1 -NCGC00018221-08 196704119 tox21-ror-cho-viability-p1 set1 4 1.9567327167 -6.120608448 1 -5.120608448 4.9549173134 0.3846976692 0.2875649954 0.04774429 5.50012681 -1.40170895 -4.5823458 -1.05806034 -0.72070401 -0.09460715 5.42257598 6.49589117 -0.86271628 -8.85050704 -5.62768344 0.82741637 -2.78453416 -8.35344173 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00015675-08 196704105 tox21-ror-cho-viability-p1 set1 4 3.12296034 1.7095701 1.55795301 -4.26476489 -0.08454722 -5.12944733 0.26432362 -5.21935435 0.06611793 -0.1455147 -2.60087456 -2.36371857 2.38430088 -5.61937685 2.31999506 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00357152-01 196704107 tox21-ror-cho-viability-p1 set1 4 -3.14404975 -1.2748819 -5.12550225 0.2407213 -3.79400118 -4.81182079 -3.73371269 -2.60542796 -1.2146127 -8.87333723 -0.43597676 1.10839441 0.32314252 -2.91749456 -2.74048565 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4584-49-0 94294 251919674 2-Chloropropyldimethylamine hydrochloride Cl.CC(Cl)CN(C)C Tox21_303897 -NCGC00357257-01 196704115 tox21-ror-cho-viability-p1 set1 4 -5.50532696 -1.28660901 -4.50515438 -1.66318716 0.20615422 -0.68742865 2.5741778 -5.06212833 0.60976114 -2.6555594 -2.56880148 -3.12751245 -4.13171697 -3.1826001 -5.80303174 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 617-89-0 3438 251919923 Ac Furfurylamine NCc1ccco1 Tox21_304050 -NCGC00164375-03 196717210 tox21-ror-cho-viability-p1 set2 4 3.24902034 2.3208393 1.19438206 1.13112714 5.5314455 4.09441244 8.04197735 5.17529418 4.62988002 0.05715167 4.21313462 1.37726967 0.08428266 1.61698848 0.06343612 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 770-35-4 92839 170465645 F 1-Phenoxy-2-propanol CC(O)COc1ccccc1 Tox21_112108_1 -NCGC00025187-02 196716795 tox21-ror-cho-viability-p1 set2 4 26.6032120037 -12.33213568 -1 -13.33213568 3.5117481694 0.8486621278 0.0024169123 -0.86138731 -0.59351419 -1.80405166 -1.45049764 -2.8241176 -2.97314847 -1.23597502 1.29016305 -0.62799158 -1.20835268 0.44277468 -2.17413219 0.64611537 -4.52402827 -11.9434464 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 75859-03-9 53388 170466216 A Rimcazole dihydrochloride Cl.Cl.C[C@H]4CN(CCCn3c1ccccc1c2ccccc23)C[C@@H](C)N4 Tox21_110953_1 -NCGC00167729-03 196716801 tox21-ror-cho-viability-p1 set2 4 -3.180429 -6.30603235 -1.76408049 -4.09324221 -0.55767327 -0.70235741 -0.20570062 -1.37775134 0.63295275 -1.02104213 -1.53487023 -1.00503641 -2.5137921 0.92508873 -1.33259067 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 136381-85-6 122077 170466345 A Lintitript O=C(Nc1nc(cs1)c2ccccc2Cl)c4cc3ccccc3n4CC(=O)O Tox21_112581_1 -NCGC00181040-02 196716811 tox21-ror-cho-viability-p1 set2 4 14.9600854925 8.4902719639 -2.9902719639 5.5 0.6999999999 0.348702109 0.3247453595 2.42521059 -1.8910886 -3.16480349 -7.90855997 -0.37670029 -5.07895945 -4.93365235 -0.57463784 -1.5700496 -3.46569931 -1.50278562 2.05441054 -0.51929325 0.50230196 3.6712931 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3238-60-6 9985 170465693 Z dl-Coniine CCCC1CCCCN1 Tox21_112688_1 -NCGC00178127-02 196717222 tox21-ror-cho-viability-p1 set2 4 0.26603212 4.2991264119 -3.7991264119 0.5 4.9549173134 0.3541889356 0.3183589118 -7.29284134 -0.54866639 1.51309692 -5.34823604 -3.49995297 -10.24927201 -1.34501859 -3.97481531 0.0259822 0.81853215 1.6448147 -1.8405765 0.19022733 -1.31617091 2.18842058 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87333-19-5 5362129 170464731 A Ramipril O=C(OCC)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2[C@@H](C[C@@H]3CCC[C@H]23)C(=O)O Tox21_110708_1 -NCGC00016401-09 196717232 tox21-ror-cho-viability-p1 set2 4 0.2984929481 11.074993928 -10.074993928 1 0.9999999999 0.6466659199 0.0662710014 -1.40111661 -13.81249494 -10.12392679 -13.66061452 -10.03911635 -8.35164308 -7.73511506 -8.03824983 -0.74495824 -2.85114434 -0.46235062 -1.98145555 -1.11314786 -1.31571166 6.26419864 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 135-09-1 3647 170465082 A Hydroflumethiazide FC(F)(F)c1cc2NCNS(=O)(=O)c2cc1S(N)(=O)=O Tox21_110422_1 -NCGC00254219-01 196713926 tox21-ror-cho-viability-p1 set2 4 0.17619539 -0.68777838 0.66712538 -1.17839473 -1.27274634 -1.3616374 0.85817715 -0.25884396 0.92190619 -1.59179497 0.38459951 1.24014698 6.11066274 5.53608582 0.06718672 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-91-5 8496 144210426 A A 1,3-Benzenedicarboxylic acid OC(=O)c1cccc(c1)C(=O)O Tox21_300106 -NCGC00254455-01 196713913 tox21-ror-cho-viability-p1 set2 -2.1 38.5707788719 -101.1573744411 1.478754253 -99.6786201881 2.2526478767 0.9932439085 1E-10 2.59648508 0.46760567 0.45833951 -0.81327468 0.0468298 2.77507134 2.42122193 -1.74915351 -1.48815357 2.45760327 1.35700375 -0.6979086 -9.51563132 -54.53075719 -87.43738613 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10540-29-1 2733526 144210857 A A Tamoxifen CN(C)CCOc1ccc(cc1)/C(c2ccccc2)=C(/CC)c3ccccc3 Tox21_300539 -NCGC00255051-01 196713916 tox21-ror-cho-viability-p1 set2 4 0.85136532 1.15862632 1.87437256 0.25588982 1.10210321 3.10447602 1.9906441 1.41587618 2.31230861 3.97883701 1.92875085 6.97983789 3.09840282 3.97328299 9.14666104 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7786-34-7 5355863 144211470 F Mevinphos O=P(OC)(OC)OC(/C)=C/C(=O)OC Tox21_301153 -NCGC00253965-01 196713924 tox21-ror-cho-viability-p1 set2 4 1.15972067 -2.40949972 -0.06574437 -0.36114071 -2.93935755 -0.39094171 -4.14337562 -4.03112162 -6.91769346 -6.7471039 -2.38767873 -2.34634009 -7.98599501 -1.38232202 -1.07210517 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 584-84-9 11443 144210480 FNS Toluene-2,4-diisocyanate O=C=N/c1cc(ccc1C)\N=C=O Tox21_300160 -NCGC00254462-01 196714323 tox21-ror-cho-viability-p1 set2 4 0.64816445 -0.41626677 1.83201702 0.49355775 -0.45302838 1.27497868 2.07001137 -0.66104122 1.24827611 0.02079288 1.30984319 0.56673236 2.40507199 0.67320214 0.51354168 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-47-8 8434 144210653 A A Ethylparaben Oc1ccc(cc1)C(=O)OCC Tox21_300335 -NCGC00254919-01 196714325 tox21-ror-cho-viability-p1 set2 4 0.0306378587 -6.159188744 -0.5 -6.659188744 2.4063783767 0.5370497789 0.1477403124 -0.04943312 -1.86549826 0.81194698 -1.53754074 -2.03682569 -8.75611621 -4.69842168 -7.89709157 -9.71599062 -2.05180838 -6.10018811 -1.32810803 -8.9105603 -7.90984449 -7.67921918 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7696-12-0 83975 144211334 B B Tetramethrin C\C(C)=C/C3C(C(=O)OCN2C(=O)C=1CCCCC=1C2=O)C3(C)C Tox21_301017 -NCGC00254876-01 196714332 tox21-ror-cho-viability-p1 set2 4 -1.36655178 -6.90196225 0.12846166 -0.41231252 -2.21034219 -7.82910817 -6.09491957 -5.64893189 -1.0705314 -4.61319 -5.17864145 -0.19998771 -0.60073213 -3.44526815 -2.34845461 1.1379999999E-9 2.546E-9 5.692E-9 1.2729999999E-8 2.8459999999E-8 6.3639999999E-8 1.423E-7 3.182E-7 7.115E-7 0.0000015909999999 0.0000035579999999 0.000007955 0.000017789999999 0.00003978 0.00008894 122-70-3 31225 144211291 A A 2-Phenylethyl propionate CCC(=O)OCCc1ccccc1 Tox21_300974 -NCGC00179367-03 196726366 tox21-ror-cho-viability-p1 set3 4 0.0105909295 -19.729809976 3 -16.729809976 2.7202212143 0.8796396014 0.0008015565 2.31322733 5.64415171 0 0 -11.27849245 -18.73131674 -15.6679034 -14.17949064 -23.10817498 -21.90332633 -17.56705826 -11.49420756 -17.49658906 -15.63495321 -13.29469226 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 73334-07-3 3736 170465023 I Iopromide O=C(Nc1c(I)c(c(I)c(c1I)C(=O)N(C)CC(O)CO)C(=O)NCC(O)CO)COC Tox21_110684_1 -NCGC00167455-02 196726376 tox21-ror-cho-viability-p1 set3 4 0.1460869 -7.19367073 -0.21546194 -0.06802602 0.87292769 -1.35551763 -4.20262242 -4.06301309 -3.37158903 0.00503052 -1.56504465 -3.27466167 1.44118301 -3.03473687 -2.28489876 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 81872-10-8 72179 170465605 A Zofenopril O=C([C@@H](C)CSC(=O)c1ccccc1)N3C[C@@H](Sc2ccccc2)C[C@H]3C(=O)O Tox21_112459_1 -NCGC00015693-09 196726381 tox21-ror-cho-viability-p1 set3 -2.1 26.6032120037 -91.5290745964 5.1039427634 -86.425131833 3.1924983358 0.9387469563 0.0000252374 -2.09660782 -1.43167346 3.00850917 0.54626587 -1.75351836 15.31029693 14.32540158 9.29595708 9.56426134 4.38776201 4.16683988 5.59337498 1.65288048 -23.74199492 -72.6108478 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 70476-82-3 51082 170465183 A Mitoxantrone Cl.Cl.OCCNCCNc3ccc(NCCNCCO)c2C(=O)c1c(O)ccc(O)c1C(=O)c23 Tox21_110197_1 -NCGC00163815-04 196704594 tox21-ror-cho-viability-p1 set1 -2.1 68.5896218971 -104.1113177067 -1.1318785449 -105.2431962516 3.6272481694 0.9748528842 1.774E-7 1.30721797 0.60704296 0.5025838 0.38011508 0.02530248 -6.20341871 -2.25399383 1.58909132 0.08746543 1.35148141 -1.70629783 -2.89363956 -11.35286404 -15.33290409 -79.72969413 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00016423-15 196704169 tox21-ror-cho-viability-p1 set1 -2.1 26.6032120037 -94.7365818336 -0.387026148 -95.1236079816 1.98874246 0.9939132737 0 -1.15043773 0.26317771 0.7198083 1.8069221 -2.7234269 -2.0661284 0.34215844 -0.44661269 -1.60449176 1.15442048 -1.2598137 -1.63584694 -13.0520134 -33.57299478 -72.06333938 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 303-45-7 3503 170466800 A (-)-Gossypol CC(C)c4c3cc(C)c(c1c(C)cc2c(c1O)c(C=O)c(O)c(O)c2C(C)C)c(O)c3c(C=O)c(O)c4O Tox21_110434_1 -NCGC00168464-04 196704177 tox21-ror-cho-viability-p1 set1 4 0.70192542 -0.0570738 -1.27725363 -0.11726493 -3.71833961 0.35169766 -0.48618909 0.43855073 -0.97281385 -0.30399184 -0.05889908 -2.79272401 -0.29413513 0.61268171 -1.28935135 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 92953-10-1 175533 170466548 D Clofilium tosylate Clc1ccc(CCCC[N+](CC)(CC)CCCCCCC)cc1.[O-]S(=O)(=O)c1ccc(C)cc1 Tox21_110799_1 -NCGC00159460-04 196704178 tox21-ror-cho-viability-p1 set1 4 -1.92519459 0.70272183 1.77139524 -0.16313114 -3.82670299 -0.53487771 -6.8752906 2.35220013 -0.56742147 0.21865456 0.31178412 -2.14695081 4.03314182 -5.63768783 1.93839227 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 157810-81-6 5462355 170465228 A Indinavir sulfate O[C@H](CN1CCN(C[C@H]1C(=O)NC(C)(C)C)Cc2cccnc2)C[C@@H](Cc3ccccc3)C(=O)N[C@H]4c5ccccc5C[C@H]4O.O=S(=O)(O)O Tox21_111687_1 -NCGC00166055-03 196704992 tox21-ror-cho-viability-p1 set1 4 -5.63421661 -7.6309736 -0.947166 0.66719281 -5.85951891 -5.9939718 -3.54764697 -7.75133074 -2.82077285 -0.00111941 -1.52645996 0.37604474 -0.17487279 -1.7618481 1.56124542 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13755-38-9 11953895 170464889 F Sodium nitroprusside dihydrate [Na+].[Na+].O.O.N#C[Fe-2](C#N)(C#N)(N=O)(C#N)C#N Tox21_110314_1 -NCGC00249884-01 196704998 tox21-ror-cho-viability-p1 set1 4 1.61006841 -0.96369931 2.70258703 -1.21382235 -0.62952415 15.84273279 -0.26835307 1.50230687 1.75346736 0.58526941 -0.8992356 1.72324996 1.89917047 0.95354635 -8.19042566 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80-74-0 6662 170465159 A A Sulfisoxazole acetal Cc1c(onc1C)N(C(C)=O)S(=O)(=O)c2ccc(N)cc2 Tox21_113660 -NCGC00178810-03 196705004 tox21-ror-cho-viability-p1 set1 4 -3.0761385 1.26407963 2.65225724 -0.88501914 -1.12584982 -2.19242893 -0.20262116 -3.71684977 -2.48867778 -1.14286845 -0.50325238 -1.0014228 0.95783824 -0.15312871 0.04148873 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1476-53-5 23663939 170465360 A Novobiocin sodium [Na+].C/C(C)=C\Cc1cc(ccc1O)C(=O)NC3=C([O-])c4ccc(O[C@@H]2OC(C)(C)[C@H](OC)[C@@H](OC(N)=O)[C@H]2O)c(C)c4OC3=O Tox21_110747_1 -NCGC00262915-01 196705006 tox21-ror-cho-viability-p1 set1 4 0.6374077 2.72045906 0.85143667 2.55951912 0.36226109 -0.39566066 0.04237927 -0.31845476 1.60116068 1.56913624 0.15741368 -0.8902453 -6.37254924 -1.64402788 1.2160483 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 65847-85-0 72106 170466184 A A Morniflumate FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)OCCN3CCOCC3 Tox21_113913 -NCGC00159450-04 196705407 tox21-ror-cho-viability-p1 set1 4 -0.04701239 -3.57364253 1.59351102 0.41478719 -1.36717032 -0.99118859 -0.88549675 1.89558545 0.8623975 0.9797403 0.02178642 0.83232233 6.37252156 1.04842856 0.09643653 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-23-5 7183 170465538 A Parethoxycaine CCOc1ccc(cc1)C(=O)OCCN(CC)CC Tox21_111677_1 -NCGC00247678-01 196705408 tox21-ror-cho-viability-p1 set1 4 2.28924062 -0.14153639 -1.00687125 -5.14950681 -0.21012014 2.2202406 1.8568856 0.15705742 -0.15155452 -0.45947277 -4.14540888 0.77678657 -0.3507352 -1.73104551 -1.22369893 1.32E-9 2.952E-9 6.601E-9 1.476E-8 3.3E-8 7.38E-8 1.65E-7 3.69E-7 8.2509999999E-7 0.000001845 0.0000041249999999 0.0000092249999999 0.000020629999999 0.000046119999999 0.00010309999999 53757-34-9 3041255 144206380 A A (-)-alpha-Methadol hydrochloride Cl.O[C@@H](CC)C(C[C@H](C)N(C)C)(c1ccccc1)c2ccccc2 Tox21_112827 -NCGC00253684-01 196705417 tox21-ror-cho-viability-p1 set1 4 0.53534416 -1.90353674 0.09424026 5.69357974 -0.1179713 -1.60353779 0.46470079 -0.38743245 -2.69224518 -1.85008066 -2.16926695 0.62012626 -1.17932714 -1.90863602 -0.9566109 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 40807-61-2 96387 170466774 Z A 4-Phenylpiperidin-4-ol OC1(CCNCC1)c2ccccc2 Tox21_113808 -NCGC00015080-08 196705426 tox21-ror-cho-viability-p1 set1 4 1.4612411 -6.62477459 -1.72185035 0.62229271 -2.10502934 -2.83698778 0.46630618 0.44917187 1.21216618 -1.06788828 0.54075643 -1.83589703 0.45956482 -0.87229402 -1.71078455 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52-88-0 657381 170465893 D Methylatropine nitrate C[N+]2(C)[C@H]1C[C@@H](C[C@@H]2CC1)OC(=O)C(CO)c3ccccc3.[O-][N+]([O-])=O Tox21_110735_1 -NCGC00022653-09 196705427 tox21-ror-cho-viability-p1 set1 4 1.41071192 0.99928553 0.61951583 0.2626669 0.28805674 -0.65177783 1.08381006 0.65947418 0.22736115 1.7231425 -0.18723726 1.3736582 1.44899341 0.43976297 4.57023927 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25953-19-9 33255 170465254 B Cefazolin O=C(O)C=3N4C(=O)[C@@H](NC(=O)Cn1cnnn1)[C@H]4SCC=3CSc2nnc(C)s2 Tox21_111691_1 -NCGC00259054-01 196706189 tox21-ror-cho-viability-p1 set1 4 -0.73733006 4.70183633 3.32407507 0.77963778 -0.75743547 -0.85885654 -0.40432548 0.20769377 10.26699646 -2.10373782 0 -1.07678578 -0.02399137 0.00965965 -2.3096229 1.1919999999E-9 2.6649999999E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.662E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004164 0.000093099999999 6055-19-2 22420 144208701 A Fc Cyclophosphamide monohydrate O.O=P1(NCCCO1)N(CCCl)CCCl Tox21_201503 -NCGC00092315-02 196705359 tox21-ror-cho-viability-p1 set1 4 -0.09871875 -1.31259533 -1.04301624 0.3857424 1.20177865 0.24658555 0.99051453 0.50280269 -5.39173083 -0.15268951 1.27371824 -0.63621829 0.80213993 0.31011647 -0.0490758 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 178600-17-4 158793 170466782 A ZD 2079 Cl.O=C(O)Cc2ccc(OCCNC[C@H](O)c1ccccc1)cc2 Tox21_113587_1 -NCGC00259539-01 196705784 tox21-ror-cho-viability-p1 set1 4 2.43764797 7.08737202 2.57537452 0.96163205 1.510066 0.04428663 1.66028039 -0.96456561 0.48596021 7.98144614 -1.82993942 0.96383946 2.93434473 3.92406104 2.40494614 1.182E-9 2.6429999999E-9 5.91E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.304E-7 7.387E-7 0.0000016519999999 0.0000036939999999 0.000008259 0.000018469999999 0.000041299999999 0.00009234 94-62-2 638024 144209188 A A Piperine O=C(/C=C/C=C/c1ccc2OCOc2c1)N3CCCCC3 Tox21_201990 -NCGC00259582-01 196705787 tox21-ror-cho-viability-p1 set1 4 0.1722893406 -5.3722424039 2.5 -2.8722424039 4.9549173134 0.3165644427 0.3678438008 -1.03516891 1.14625118 3.1273775 6.45567782 1.08587847 5.39516036 0.89366147 -5.15773093 -11.97686867 3.21953074 -0.18356109 -0.70284692 1.09172922 -4.73448734 -0.30960886 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004124 0.00009223 2050-47-7 16305 144209231 A A 4,4'-Dibromodiphenyl ether Brc2ccc(Oc1ccc(Br)cc1)cc2 Tox21_202033 -NCGC00259920-01 196706190 tox21-ror-cho-viability-p1 set1 4 77.585350921 -12.289868572 2 -10.289868572 4.9549173134 0.4437891587 0.2323860641 7.49536012 -0.03784537 3.90229262 2.47941722 2.37007697 0.26506495 -0.27800302 2.85990425 0.81422666 7.62595654 -0.41968166 -0.67239174 0.82342264 2.28344598 -6.90822381 1.188E-9 2.656E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.641E-8 1.4849999999E-7 3.321E-7 7.425E-7 0.0000016599999999 0.000003712 0.0000083009999999 0.00001856 0.000041509999999 0.00009281 88-74-4 6946 144209569 A A 2-Nitroaniline O=[N+]([O-])c1ccccc1N Tox21_202371 -NCGC00260670-01 196706191 tox21-ror-cho-viability-p1 set1 4 38.4531352514 -23.449267112 1 -22.449267112 2.4063783767 0.8686233806 0.001222117 2.3459408 -3.35721958 1.05026095 0.17070536 -0.80053011 -0.18911379 -0.77717185 0.43347975 6.5931876 1.41794379 2.09941785 1.4710181 0.76936057 -13.58874833 -19.12438926 1.177E-9 2.6319999999E-9 5.886E-9 1.316E-8 2.943E-8 6.5809999999E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.000003679 0.000008226 0.00001839 0.00004113 0.000091969999999 2078-54-8 4943 144208569 Z Z Propofol CC(C)c1cccc(C(C)C)c1O Tox21_201371 -NCGC00259092-01 196706198 tox21-ror-cho-viability-p1 set1 4 0.4920038855 13.94743164 -11.94743164 2 0.3 0.5632219297 0.1256524705 -10.76823866 -7.58709637 -9.07697521 -11.6228597 -7.43744261 -3.82297466 -2.93611138 -7.94736487 -9.9810143 -1.20566449 1.10496814 -4.92782421 -3.91718103 1.05342727 -0.4553375 1.193E-9 2.6679999999E-9 5.9659999999E-9 1.3339999999E-8 2.9829999999E-8 6.67E-8 1.491E-7 3.335E-7 7.457E-7 0.0000016669999999 0.000003728 0.000008337 0.00001864 0.000041689999999 0.000093209999999 520-36-5 5280443 144208740 A A Apigenin Oc1ccc(cc1)C3=CC(=O)c2c(cc(O)cc2O)O3 Tox21_201542 -NCGC00259896-01 196706625 tox21-ror-cho-viability-p1 set1 4 3.8233148 3.74921814 0.87712262 1.30502649 5.93555509 1.81183058 1.19810061 4.10072981 2.77962516 7.33885698 -0.01005599 2.93221425 4.79660431 0.04335853 1.35759021 1.19E-9 2.6619999999E-9 5.9519999999E-9 1.331E-8 2.976E-8 6.655E-8 1.4879999999E-7 3.3269999999E-7 7.44E-7 0.0000016639999999 0.00000372 0.000008319 0.0000186 0.00004159 0.000093 93-15-2 7127 144209545 A A Methyleugenol COc1cc(ccc1OC)CC=C Tox21_202347 -NCGC00256974-01 196707018 tox21-ror-cho-viability-p1 set1 4 0.0108707225 -15.528452324 -1.604563808 -17.133016132 0.7999999999 0.6691491406 0.0640689168 -2.17046984 -7.6985772 -6.9892651 -12.42473745 -8.53585034 -12.39932898 -16.82881455 -20.4930815 -22.19418011 -9.8210976 -16.42693692 -14.4059858 -17.32604478 -19.27809655 -9.3036122 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-91-2 7837 144213462 Ac Glycidyl methacrylate CC(=C)C(=O)OCC1CO1 Tox21_303145 -NCGC00256978-01 196707025 tox21-ror-cho-viability-p1 set1 4 -4.96378582 -5.24002446 -15.12181675 -7.198304 -18.55371895 -15.35797251 -8.42121982 -15.6638682 -8.84467175 -13.29141333 -15.43036383 -10.73007399 -13.00509933 -6.69392923 -3.00629824 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-98-2 7900 144213586 Bc 1-Methoxy-2-propanol CC(O)COC Tox21_303269 -NCGC00256808-01 196707028 tox21-ror-cho-viability-p1 set1 4 2.13831223 4.43599413 0.02955725 0.87313509 -3.35950023 -0.68139397 -1.19440262 1.99915321 0.17009109 0.53185208 2.19786808 4.94117778 6.13200964 0.41139776 -3.21470839 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26644-00-8 97004 144213014 I Dimethyl dihydrogen diphosphate O=P(O)(OC)OP(O)(=O)OC Tox21_302697 -NCGC00159417-06 196707031 tox21-ror-cho-viability-p1 set1 -2.2 70.1970324498 -60.431456628 -5.152232268 -65.583688896 0.8999999999 0.7742487438 0.0130375933 -4.63254969 -12.56179455 -11.8519779 1.83770988 -9.18981521 -3.30839103 -3.3216088 -10.38413982 -10.36032321 -9.72370345 -15.10989698 -10.64999386 -12.74542843 -22.77480143 -49.6846128 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008409 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00260474-01 196703320 tox21-ror-cho-viability-p1 set1 4 -0.05248579 1.37634854 -3.9312337 1.8145588 -2.2868831 -4.19983535 3.71401261 3.92491133 -2.55739205 -1.96414662 2.94914806 -0.292438 0.07536882 1.28117194 4.49065096 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.00009231 5502-78-3 79639 144210126 A A 9-Methylguanine NC=2Nc1c(ncn1C)C(=O)N=2 Tox21_202928 -NCGC00258771-01 196715988 tox21-ror-cho-viability-p1 set2 4 -2.11188557 0.65968329 -1.44526523 -1.34365597 0.29352535 -3.5385867 -1.19850303 -0.58191576 0.90239588 -1.6731291 -3.3374927 -2.98078716 -2.99440438 -2.74443878 -5.4314793 1.203E-9 2.69E-9 6.015E-9 1.345E-8 3.0079999999E-8 6.725E-8 1.504E-7 3.3629999999E-7 7.519E-7 0.0000016809999999 0.0000037599999999 0.000008407 0.0000188 0.00004203 0.000093989999999 1009-61-6 13888 144208417 A A 1,1-(1,4-Phenylene)bis-ethanone O=C(C)c1ccc(cc1)C(C)=O Tox21_201219 -NCGC00253981-01 196715167 tox21-ror-cho-viability-p1 set2 4 -2.11178847 -1.42719074 2.0161583 -2.84297464 -2.40201361 -2.80141945 -5.17603688 -3.44479593 -1.49644696 0.26709905 1.20904727 -6.4867051 1.1870252 -0.15244823 -0.28047431 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2416-94-6 17016 144210379 A A 2,3,6-Trimethylphenol Cc1ccc(C)c(O)c1C Tox21_300059 -NCGC00254334-01 196715172 tox21-ror-cho-viability-p1 set2 4 54.4826732819 13.2043015679 -4.2043015679 9 4.0949729863 0.36399142 0.3071291052 -0.22430844 -9.58813241 -7.83529917 -3.20674776 0.21756904 -1.9746604 -13.50358464 -5.04662941 -0.49524871 -8.49129361 -2.40879793 -1.00152901 -0.08851256 -1.59658614 7.63419858 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2432-87-3 75516 144210841 A Fns Dioctyl succinate CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC Tox21_300523 -NCGC00258151-01 196715593 tox21-ror-cho-viability-p1 set2 4 -4.21613928 -2.74472745 -4.19444889 -3.04366156 -3.34348583 -0.81890965 -2.40017677 -3.22717291 -3.54800656 -0.76270666 -3.86060882 -3.82559447 1.4304057 -0.40351138 1.72577043 1.182E-9 2.644E-9 5.9109999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.305E-7 7.3889999999E-7 0.0000016519999999 0.0000036949999999 0.000008261 0.000018469999999 0.00004131 0.000092359999999 258273-75-5 12991988 144207795 A A Butyltrimethylammonium bis(trifluoromethylsulfonyl)imide FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.CCCC[N+](C)(C)C Tox21_200597 -NCGC00258437-01 196715992 tox21-ror-cho-viability-p1 set2 4 0.15030963 1.78394361 -4.40591071 -5.64047472 -2.68855198 -1.2702781 -0.84490097 0.47508358 1.00651927 -1.68490605 2.77150718 -5.41254775 3.26552019 -2.85516443 -2.63766462 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 624-41-9 12209 144208081 FNS 2-Methylbutyl acetate CC(=O)OCC(C)CC Tox21_200883 -NCGC00258209-01 196716001 tox21-ror-cho-viability-p1 set2 4 -2.94501167 -4.06958081 -3.82606304 -3.2949345 -3.00760453 -0.2286045 -2.13406944 -0.33492742 -1.52981388 0.79941033 0.39489053 -0.55968233 -0.67597969 -0.31332768 1.98026831 1.1449999999E-9 2.56E-9 5.724E-9 1.28E-8 2.8619999999E-8 6.399E-8 1.431E-7 3.2E-7 7.155E-7 0.0000016 0.000003577 0.0000079989999999 0.00001789 0.000039999999999 0.00008943 57018-52-7 92629 144207853 A A 1-tert-Butoxy-2-propanol CC(C)(C)OCC(C)O Tox21_200655 -NCGC00091253-05 196716410 tox21-ror-cho-viability-p1 set2 4 2.52096647 2.10272583 1.48603891 1.11109723 -0.39140868 2.05070846 0.85963691 4.22485448 0.23964828 3.64805259 3.58440154 -0.45523029 -1.90216326 0.8823293 0.00485859 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00258462-01 196716413 tox21-ror-cho-viability-p1 set2 -2.4 76.7240916596 -25.419991472 -3 -28.419991472 4.9549173134 0.7183818416 0.0305084844 -3.970895 -3.78969398 -3.09052779 -4.06649379 1.21731755 -2.81623819 -3.78664949 -2.11572929 -10.60008181 -2.92839691 -1.11498612 -4.23730298 0.26596312 1.69846959 -22.01665956 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.354E-7 0.0000016439999999 0.0000036769999999 0.0000082219999999 0.000018379999999 0.00004111 0.00009192 1219-38-1 14642 144208106 A A Octylparaben Oc1ccc(cc1)C(=O)OCCCCCCCC Tox21_200908 -NCGC00090827-04 196716420 tox21-ror-cho-viability-p1 set2 4 -0.32847608 0.33803172 -2.95339487 -0.77723589 -1.39793961 -0.77288372 -0.46360286 -1.66764097 -0.31063175 0.11012697 0.12462787 0.19896249 0.73430069 4.94971542 0.45160066 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00160651-02 196716834 tox21-ror-cho-viability-p1 set2 4 0.05541112 -8.04248851 -1.4243308 -1.33955153 -1.23130136 -5.56478076 -0.83180356 -3.61632502 -1.53351067 -4.87613999 -0.06122651 -0.35614085 -1.24905191 -0.57639079 2.08207664 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3563-14-2 60582 170466135 A Sulfasuccinamide O=S(N)(=O)c1ccc(NC(=O)CCC(=O)O)cc1 Tox21_111958_1 -NCGC00249931-01 196716838 tox21-ror-cho-viability-p1 set2 4 1.50636879 1.15068734 1.81835813 1.33034835 1.49400987 2.009625 2.00372712 4.81865895 -2.25313043 -2.22725765 -4.92443268 -2.26693467 -1.88064847 1.24409713 2.53091298 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 74639-40-0 71137 170465850 A F Docarpamine CC(=O)N[C@@H](CCSC)C(=O)NCCc1cc(OC(=O)OCC)c(cc1)OC(=O)OCC Tox21_113707 -NCGC00090780-04 196713115 tox21-ror-cho-viability-p1 set2 4 0.64795529 -0.70903224 1.94298757 3.3616689 1.80668309 2.64008423 0.34704314 0.28823616 0.79516334 1.60285093 0.42243828 -0.50528519 0.32488219 -0.25620757 -1.10915975 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00160412-04 196712696 tox21-ror-cho-viability-p1 set2 4 -0.38072963 0.2786383 4.23835109 -0.01019314 -0.08419302 -0.20416662 4.6455975 -0.39637146 -0.78017398 2.51273264 -0.13342041 -0.58562583 -0.65656455 -1.50625548 -2.98301996 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 31386-25-1 65776 170466638 A Indocate CN(C)CCOC(=O)c1cc3c(cc1)n(Cc2ccccc2)c(C)c3C Tox21_111796_1 -NCGC00260373-01 196724366 tox21-ror-cho-viability-p1 set3 4 0.1228402984 6.065270756 -5.565270756 0.5 3.1319983358 0.3299775614 0.3396761746 -12.13772563 5.37407645 -2.84680928 -5.82700833 -10.46623959 -7.01868359 -0.62422344 -1.14361141 4.60460049 0.65949588 1.06972763 -2.68172366 -3.15496237 3.35096548 1.97978159 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.484E-7 3.317E-7 7.4179999999E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.000041469999999 0.000092719999999 36727-29-4 161929 144210025 F F Hexanoylchloride,3,5,5-trimethyl- CC(CC(C)(C)C)CC(Cl)=O Tox21_202827 -NCGC00357009-01 196724356 tox21-ror-cho-viability-p1 set3 4 5.9557173066 -7.91696028 2 -5.91696028 2.3331733767 0.4959751461 0.1831595795 -2.13999273 1.29664062 2.42906693 3.37717725 4.71825497 2.94706949 -1.68750699 6.20124509 0.2551086 0.00034685 6.32626486 -0.05281038 -7.08856527 -1.02554433 -7.8474669 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60-25-3 93550 251919802 A N,N,N,N',N',N'-Hexamethylhexane-1,6-diaminium dichloride [Cl-].[Cl-].C[N+](C)(C)CCCCCC[N+](C)(C)C Tox21_303898 -NCGC00260233-01 196724375 tox21-ror-cho-viability-p1 set3 -2.1 60.8198633448 -109.7376749323 -2.550579485 -112.2882544173 2.8472712143 0.9568055252 0.0000037532 -4.24237294 -0.0420067 2.07408538 1.6138265 3.05388331 1.78440192 -3.59180798 -4.24354263 -5.56623393 -6.73367062 -2.39911944 -4.44850443 -18.57770719 -24.83055167 -87.45191154 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.468E-7 3.2829999999E-7 7.3419999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.00001835 0.00004104 0.00009177 112400-86-9 11074101 144209883 FNS 1-Butyl-4-methylpyridinium chloride [Cl-].Cc1cc[n+](CCCC)cc1 Tox21_202685 -NCGC00260560-01 196724788 tox21-ror-cho-viability-p1 set3 4 0.0007497804 20.819241412 -21.819241412 -1 4.4494702849 0.5375201497 0.1461900867 -16.51603451 -1.98458976 -7.70177045 2.32987992 -2.40912182 -8.87016473 0.60908385 1.95718697 -1.68340933 2.26959546 -4.44378217 -0.8587492 -1.01993822 1.7914537 4.54265724 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49456 144210213 M M NTP Mix68 CT1 62-EQP Tox21_203015 -NCGC00260387-01 196724791 tox21-ror-cho-viability-p1 set3 4 68.938530308 16.2242039719 -0.2242039719 16 4.9549173134 0.7698351317 0.0143121904 1.40874816 0.45480706 0.07332234 -4.29381381 -0.39856117 -4.35350331 1.51753718 1.89804214 -1.59826731 -0.81079395 1.05880676 0.82119648 -0.04116516 0.00211944 13.13220911 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.962E-8 6.622E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 525-76-8 68236 144210039 F A 4H-3,1-Benzoxazin-4-one,2-methyl- CC2=Nc1ccccc1C(=O)O2 Tox21_202841 -NCGC00160493-02 196725196 tox21-ror-cho-viability-p1 set3 4 0.0084126743 16.169344256 1.330655744 17.5 1.4641 0.3735567684 0.3128908634 1.37708773 -0.55778688 11.83944934 0 14.19435207 26.91248644 0 21.83203963 20.45543437 20.26220065 20.99536254 22.3558666 19.31389155 2.90700259 -4.98033989 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16543-10-5 27918 170466379 A Fosenazide O=P(CC(=O)NN)(c1ccccc1)c2ccccc2 Tox21_111853_1 -NCGC00181337-03 196725199 tox21-ror-cho-viability-p1 set3 4 4.92494143 -6.71099988 8.5753359 7.98118348 7.23891818 -0.11378585 -0.76383183 0.01455176 -8.91755728 -0.7077908 -0.33738243 1.24169798 -1.21598294 1.3044349 0.25738613 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1777-82-8 15684 170465574 F 2,4-Dichlorobenzyl alcohol OCc1ccc(Cl)cc1Cl Tox21_112796_1 -NCGC00016829-09 196725205 tox21-ror-cho-viability-p1 set3 4 0.0021131682 10.5095728159 -11.0095728159 -0.5 4.9549173134 0.451220927 0.2237068281 -10.36195652 -10.84131068 -2.0656972 3.1528785 -9.22018095 2.14096033 3.23198457 4.60525576 -2.7880188 0.57083895 0.72930438 -8.27153189 -0.42095226 -1.51457491 0.49125426 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 34552-84-6 54677972 170466334 A Isoxicam Cc1cc(no1)NC(=O)C3=C(O)c2ccccc2S(=O)(=O)N3C Tox21_110634_1 -NCGC00253669-01 196725612 tox21-ror-cho-viability-p1 set3 4 2.91334618 -0.33888734 1.02731261 0.54031812 -1.28584477 -0.27092822 1.2392599 -0.58062476 1.37559847 10.68046084 -1.42769857 -1.00578491 2.72982921 1.71997819 0.49602093 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 29976-53-2 34767 170466703 F A Ethyl 4-oxo-1-piperidinecarboxylate O=C(OCC)N1CCC(=O)CC1 Tox21_113793 -NCGC00160451-02 196725621 tox21-ror-cho-viability-p1 set3 4 0.0059557173 16.8228025519 -2.3228025519 14.5 1.24751 0.6344718772 0.0735998528 -1.10233546 -0.68735736 1.40813519 12.92420175 0.95987977 16.20726446 13.37968334 22.44951114 13.62285675 19.0568961 11.42106367 13.8881938 15.78007567 12.28849172 9.40549483 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1553-60-2 15250 170465922 Ac Ibufenac CC(C)Cc1ccc(cc1)CC(=O)O Tox21_111821_1 -NCGC00259828-01 196705827 tox21-ror-cho-viability-p1 set1 -1.1 7.7428639226 -90.0065813091 -0.331128339 -90.3377096481 3.1319983358 0.9807394469 3.82E-8 9.22083995 5.32903957 -8.96154552 1.84416982 3.3212673 -10.4011577 -3.08835804 0.66187698 -1.61743869 2.72071751 -12.34057275 -49.87336696 -88.18294981 -89.09044344 -88.44705054 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 77-47-4 6478 144209477 Hexachlorocyclopentadiene ClC=1C(Cl)=C(Cl)C(Cl)(Cl)C=1Cl Tox21_202279 -NCGC00259585-01 196705823 tox21-ror-cho-viability-p1 set1 4 0.67305201 7.84718532 -0.24799205 2.47505026 1.09038083 2.38395878 0.12482476 1.58446144 -15.47492891 4.22960198 1.85595765 2.14800155 3.20084404 2.59177269 -2.7949063 1.172E-9 2.6199999999E-9 5.859E-9 1.31E-8 2.929E-8 6.55E-8 1.465E-7 3.275E-7 7.324E-7 0.0000016379999999 0.000003662 0.000008188 0.00001831 0.00004094 0.00009154 1929-82-4 16004 144209234 A A Nitrapyrin ClC(Cl)(Cl)c1cccc(Cl)n1 Tox21_202036 -NCGC00258833-01 196706242 tox21-ror-cho-viability-p1 set1 4 -6.25099894 -0.48132368 -5.5763637 -7.39078539 -3.71800479 -0.10946533 2.60232631 -2.88520382 1.60421402 0 -8.37575565 -4.91476947 -3.86922042 -11.37469535 -10.33309659 1.1839999999E-9 2.648E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.619E-8 1.4799999999E-7 3.309E-7 7.4E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.0000925 330-55-2 9502 144208479 A A Linuron Clc1ccc(NC(=O)N(C)OC)cc1Cl Tox21_201281 -NCGC00259024-01 196706254 tox21-ror-cho-viability-p1 set1 4 0.3110580796 -15.2638932319 10.5 -4.7638932319 0.2 0.5806288092 0.1127517139 4.4106599 8.45236771 7.16173387 5.64751081 5.36372624 0.15270312 2.50737833 1.0840676 7.60597802 2.35352945 0.24202959 0.22429329 -2.30324436 -0.9649659 0.0526015 1.195E-9 2.6729999999E-9 5.9769999999E-9 1.337E-8 2.989E-8 6.683E-8 1.494E-7 3.341E-7 7.4709999999E-7 0.000001671 0.000003736 0.000008353 0.000018679999999 0.00004177 0.00009339 13826-35-2 26295 144208671 A A 3-Phenoxybenzenemethanol OCc2cc(Oc1ccccc1)ccc2 Tox21_201473 -NCGC00259717-01 196706257 tox21-ror-cho-viability-p1 set1 -2.1 60.447370484 -95.2777410166 -7.809650903 -103.0873919196 2.4063783767 0.9031460451 0.0002740155 -12.04274676 -9.35936531 -20.10960865 -16.25963767 -10.23905782 -13.4157656 -12.57743999 -16.55822828 -6.01158274 0 -9.47727151 -7.36242608 -8.23246362 -34.68809996 -78.09650903 1.1689999999E-9 2.615E-9 5.8469999999E-9 1.3069999999E-8 2.9229999999E-8 6.537E-8 1.462E-7 3.268E-7 7.308E-7 0.0000016339999999 0.0000036539999999 0.0000081709999999 0.00001827 0.00004086 0.000091349999999 120-95-6 8455 144209366 A A 2,4-Bis(2-methylbutan-2-yl)phenol Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC Tox21_202168 -NCGC00259848-01 196706656 tox21-ror-cho-viability-p1 set1 4 3.19811573 11.65234936 0.98005161 3.71807305 -0.51045942 2.80776136 3.65899619 4.02105209 6.16362242 9.46912804 4.01972474 3.93898894 4.74173694 2.62544299 0.02436024 1.172E-9 2.621E-9 5.8609999999E-9 1.311E-8 2.9299999999E-8 6.553E-8 1.465E-7 3.276E-7 7.326E-7 0.0000016379999999 0.0000036629999999 0.000008191 0.00001832 0.00004095 0.00009158 57-41-0 1775 144209497 A A 5,5-Diphenylhydantoin O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3 Tox21_202299 -NCGC00259384-01 196706662 tox21-ror-cho-viability-p1 set1 4 0.66091292 0.47514598 0.63017431 1.44841908 0.76110249 0.27113219 0.88636805 4.48643404 -0.99024604 10.735383 5.05711938 0.10961154 6.05522938 -0.47373942 -0.68071019 1.189E-9 2.6589999999E-9 5.946E-9 1.3289999999E-8 2.973E-8 6.647E-8 1.486E-7 3.3239999999E-7 7.4319999999E-7 0.000001662 0.000003716 0.000008309 0.000018579999999 0.000041549999999 0.0000929 206-44-0 9154 144209033 A A Fluoranthene c1cccc4c1c2cccc3cccc4c23 Tox21_201835 -NCGC00256675-01 196707088 tox21-ror-cho-viability-p1 set1 4 -7.90908518 -6.12567353 -1.51770272 -6.31979396 -2.31521378 -11.24582104 4.53942715 -3.9319212 -9.43759275 -15.09982716 4.45902888 0.05924977 0.87641809 -4.2008413 -12.26701588 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 35250-53-4 61945 144213008 D Pyrazineethanethiol SCCc1cnccn1 Tox21_302691 -NCGC00257214-01 196707090 tox21-ror-cho-viability-p1 set1 4 -1.31429614 -1.44778675 -1.23813851 -3.57001854 -7.71680105 -4.19559674 1.27553736 -0.776672 -7.04954873 -3.24913719 -10.38247519 -3.28949385 -6.65353142 -1.15877354 -0.71117893 1.172E-9 2.6199999999E-9 5.858E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 94-81-5 7207 144213655 A A MCPB Clc1cc(C)c(OCCCC(=O)O)cc1 Tox21_303338 -NCGC00257062-01 196707091 tox21-ror-cho-viability-p1 set1 4 -2.05582336 4.00662672 1.88445363 2.24864007 -0.30327612 3.62385977 2.25250613 0.23894938 -1.10669897 0.50230412 0.1669891 4.44089049 0.55583293 -2.27396637 2.48409232 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16219-75-3 27756 144213384 Fns 5-Ethylidene-2-norbornene CC=C2CC1C=CC2C1 Tox21_303067 -NCGC00256614-01 196707092 tox21-ror-cho-viability-p1 set1 4 0.56131267 2.57399249 3.33707187 1.10293493 1.63739699 -1.55534464 0.77062508 -5.99432386 -4.8362189 0.48150424 -0.49809411 -0.83828723 1.34127822 3.1557162 3.55539993 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 540-72-7 516871 144213292 Sodium thiocyanate [Na+].[S-]C#N Tox21_302975 -NCGC00167564-03 196704185 tox21-ror-cho-viability-p1 set1 4 -0.28318815 -2.23943981 3.91465536 -0.25559473 0.24208446 -0.08105143 -0.04272019 4.96702352 2.97684398 -0.40593382 0.06877775 0.40137585 -2.85118172 0.39869051 0.33192609 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10381-75-6 11808 170465479 C 8-Bromotheophylline O=C2c1nc(Br)nc1N(C)C(=O)N2C Tox21_112559_1 -NCGC00357224-01 196703784 tox21-ror-cho-viability-p1 set1 4 -1.01311198 0.00895798 -1.17472871 1.18775366 -0.03105593 -1.14133238 -0.02452458 -0.66270291 2.15104509 -0.79343306 -0.17922013 -0.74955926 -7.1228042 3.0460764 -5.62151643 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 134-85-0 8653 251919863 A 4-Chlorobenzophenone O=C(c1ccc(Cl)cc1)c2ccccc2 Tox21_304009 -NCGC00256567-01 196707438 tox21-ror-cho-viability-p1 set1 4 3.1234933 1.72285976 -1.75988628 3.75748245 0.98049042 1.6269397 -1.40225355 -1.77131513 3.3838493 3.89849373 -0.45344387 5.24423513 5.44219904 0.48799174 1.71055726 6.755E-10 1.5109999999E-9 3.3779999999E-9 7.553E-9 1.6889999999E-8 3.776E-8 8.444E-8 1.888E-7 4.222E-7 9.441E-7 0.000002111 0.00000472 0.00001056 0.0000236 0.00005278 143-22-6 8923 144213153 A Ac 2-[2-(2-Butoxyethoxy)ethoxy]ethanol OCCOCCOCCOCCCC Tox21_302836 -NCGC00091902-08 196707433 tox21-ror-cho-viability-p1 set1 4 -10.14231872 -6.45942506 -0.95099655 0.28370632 -0.18407093 1.11892644 -0.3430747 -6.77145724 1.19221016 -0.35161597 0.38831567 0.31156532 -11.19806236 -5.606794 -7.39075209 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00256666-01 196707434 tox21-ror-cho-viability-p1 set1 4 -5.92448416 1.60259299 -19.19651359 -0.28786046 -6.75303282 -0.24992329 -0.51498044 5.4397878 -13.05728395 -5.11559731 -0.24139576 -11.73966155 -5.88330191 -5.2520076 0.9429754 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-91-8 61054 144212852 A A 4-Methoxybenzyl formate COc1ccc(COC=O)cc1 Tox21_302535 -NCGC00257261-01 196707435 tox21-ror-cho-viability-p1 set1 4 -0.45481538 -0.2121529 1.83116462 4.34486301 2.21574309 4.54451873 4.14544423 2.40396438 4.8280986 0.49710907 -5.20831897 3.04801625 11.03231633 3.4433301 0.26996297 1.056E-9 2.3609999999E-9 5.279E-9 1.18E-8 2.6399999999E-8 5.902E-8 1.32E-7 2.9509999999E-7 6.599E-7 0.000001476 0.0000032999999999 0.0000073779999999 0.000016499999999 0.00003689 0.000082489999999 9005-65-6 5284448 144213782 Ac Polysorbate 80 OCCOC1CC(OCCO)C(O1)C(COCCOC(=O)CCCCCCC\C=C\CCCCCCCC)OCCO Tox21_303472 -NCGC00256348-01 196707456 tox21-ror-cho-viability-p1 set1 4 0.41057872 -5.64683948 -6.12777015 -4.33394008 2.22666342 0.7050128 0.15627315 -0.51680273 -0.355862 0.0152937 -0.15904495 -4.27117766 0.44896478 -8.06907843 0.23332663 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-72-9 798 144213254 A A Indole c1cccc2nccc12 Tox21_302937 -NCGC00256419-01 196707457 tox21-ror-cho-viability-p1 set1 4 0.0086349218 -15.0720302999 2 -13.0720302999 0.7999999999 0.4055061551 0.2665414389 0.48317498 -3.24526434 -6.62088709 -2.4521629 -11.3850617 -9.23402323 -15.04337222 -5.3756515 -17.30792829 -20.06002525 -15.09238902 1.00111457 -12.46579689 -16.44232075 -14.14358295 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 520-36-5 5280443 144213201 A A Apigenin Oc1ccc(cc1)C3=CC(=O)c2c(cc(O)cc2O)O3 Tox21_302884 -NCGC00015060-14 196707852 tox21-ror-cho-viability-p1 set1 4 67.9623322576 25.830622752 -5.830622752 20 4.9549173134 0.5736088277 0.1166337423 -1.67214842 -1.27662373 -0.17743307 -10.56491991 -4.47372193 -10.1085592 -5.97006883 -0.92020006 -17.77551896 -3.52105219 -3.12692558 -7.99321364 -5.80649844 -4.59907039 15.09879181 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00257353-01 196707864 tox21-ror-cho-viability-p1 set1 4 -1.43868635 2.89335094 -2.39812244 -1.41075221 -12.39500454 -1.71598881 -12.95281971 -11.11325917 2.10077016 -11.52024635 -13.65080513 2.23528257 -0.01659437 -1.00245329 -8.74869814 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24295-03-2 520108 144213823 F Fc 2-Acetylthiazole CC(=O)c1nccs1 Tox21_303515 -NCGC00256322-01 196707869 tox21-ror-cho-viability-p1 set1 4 -4.41763864 -5.7645916 -0.07582528 -0.05227389 1.43929837 -5.02738378 -0.81517455 -1.12154479 -2.02113519 -4.49360512 -2.31945538 -0.89905811 -0.23529394 -7.97449692 -10.51223637 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1212-29-9 727200 144213155 A A N,N'-Dicyclohexylthiourea S=C(NC1CCCCC1)NC2CCCCC2 Tox21_302838 -NCGC00015482-07 196704969 tox21-ror-cho-viability-p1 set1 4 3.55484807 -1.11818254 0.21354461 0.33688482 -0.26094285 -4.8470451 -0.0524572 0.62791234 1.4471842 1.27127145 0.88701604 1.11132291 3.00131547 1.34792384 -0.70311931 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 65-29-2 6172 170465398 F Gallamine triethiodide [I-].[I-].[I-].CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC Tox21_112040_1 -NCGC00091044-02 196704566 tox21-ror-cho-viability-p1 set1 4 0.0130339452 3.514921636 -3.514921636 0 3.5117481694 0.3381473195 0.3517103804 -0.92239028 -4.61068826 -5.84576803 -1.15468283 -1.85826752 3.89067293 0.15495472 -0.90901899 -3.48460627 -1.13119579 0.34237502 4.4720588 -0.92147099 0.24935512 -3.01708232 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00016353-08 196704963 tox21-ror-cho-viability-p1 set1 4 -0.01464993 0.11353685 1.15644748 1.9616559 1.85087445 3.93667444 1.87880743 -0.60363957 4.54546421 1.77970235 -0.36325661 1.62385946 1.67951206 0.62690737 2.15102941 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-25-7 2482 170465735 A Butyl 4-aminobenzoate Nc1ccc(cc1)C(=O)OCCCC Tox21_110392_1 -NCGC00015928-05 196704968 tox21-ror-cho-viability-p1 set1 4 -0.44102276 0.74988182 -3.08476203 0.88152478 -0.22615552 -3.25392846 1.13207646 -0.77566375 -3.14309052 -3.56634591 1.66520606 -1.82119131 -0.65955536 -1.65844094 -3.05355011 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59973-80-7 5472495 170466321 F Sulindac sulfone CS(=O)(=O)c1ccc(cc1)/C=C3\c2ccc(F)cc2C(CC(=O)O)=C3C Tox21_113524_1 -NCGC00257026-01 196718489 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -14.5900816879 -0.5 -15.0900816879 4.0449729863 0.7808971626 0.0118380593 1.28147739 -0.14861951 -1.00077025 3.65519552 -1.79815266 -0.09431662 -2.18312184 -0.28186132 0.33089196 -1.05663751 -0.07585946 -3.04389472 0.5484539 -2.05939937 -11.74173474 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-54-6 228987 144213424 B D 3-(4-tert-Butylphenyl)-2-methylpropanal CC(C)(C)c1ccc(CC(C)C=O)cc1 Tox21_303107 -NCGC00249050-02 196717251 tox21-ror-cho-viability-p1 set2 4 0.16037851 -0.3353225 4.38807878 5.4928252 6.18445377 6.37858534 7.58570009 6.44372023 3.3787295 0.11072343 1.28135 2.88786704 8.05377076 2.82106638 0.6011294 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52479-85-3 40399 170466234 B Exifone Oc2ccc(C(=O)c1cc(O)c(O)c(O)c1)c(O)c2O Tox21_113656 -NCGC00181775-02 196717652 tox21-ror-cho-viability-p1 set2 -3 29.8492948118 -38.5783284 -1.5 -40.0783284 2.4063783767 0.8534604903 0.0020269823 -0.4671874 0 -0.78986328 -5.40851245 3.26636308 -4.93396798 -4.24504865 -0.53446769 -4.30791106 2.89059716 1.71478037 0.53705303 -9.12927088 -9.72893357 -30.898607 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 92-31-9 7083 170466390 F Toluidine blue [Cl-].CN(C)c1ccc2nc3cc(C)c(N)cc3[s+]c2c1 Tox21_113159_1 -NCGC00186658-01 196717662 tox21-ror-cho-viability-p1 set2 4 0.24415035 -1.05241243 2.56883241 2.77473551 -0.65204426 2.45390948 1.0854087 0.6067211 -1.39215178 2.13457361 2.51755573 3.24389598 1.70751871 2.51299162 -1.1755359 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 81-13-0 131204 170464647 A Dexpanthenol CC(C)(CO)[C@@H](O)C(=O)NCCCO Tox21_111563_1 -NCGC00256835-01 196718905 tox21-ror-cho-viability-p1 set2 4 2.61021964 3.4103683 0.406453 3.68348 1.07218096 7.27229551 1.46817338 5.38320595 5.37809294 5.5188342 3.75299359 2.89251667 1.21116754 3.67972825 10.25612258 1.097E-9 2.4529999999E-9 5.485E-9 1.2269999999E-8 2.7429999999E-8 6.133E-8 1.371E-7 3.0659999999E-7 6.857E-7 0.0000015329999999 0.0000034279999999 0.000007666 0.00001714 0.000038329999999 0.000085709999999 143983-91-9 60196432 144212818 Indium(III) chloride hydrate O.O.Cl[In](Cl)Cl Tox21_302501 -NCGC00256851-01 196718918 tox21-ror-cho-viability-p1 set2 4 0.71321686 3.84520016 0.31857192 6.35835646 0.18190641 0.63121689 6.0853638 1.39210158 0.5476257 4.28078054 8.94996354 -1.085597 0.00026186 6.9007942 6.13053769 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 304-17-6 67535 144212790 A A N-Isopropylphthalimide CC(C)N2C(=O)c1ccccc1C2=O Tox21_302473 -NCGC00256722-01 196719345 tox21-ror-cho-viability-p1 set2 4 -3.97220062 -3.57050807 -6.74228487 -2.24376174 -3.44961035 -6.36724302 -1.38798368 -2.79738892 -2.5566806 -2.31138579 1.58379738 -3.10774197 0.3105517 1.58847824 -12.77291199 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 8000-34-8 144212855 M M Clove leaf oil Tox21_302538 -NCGC00254671-01 196714786 tox21-ror-cho-viability-p1 set2 4 1.05686257 2.72228519 0.35087393 3.45759646 1.62786362 3.77945436 3.88952056 1.80709529 -0.5504889 3.72549222 2.00175899 3.22701112 1.47836928 0.02629569 1.94000425 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 75-60-5 2513 144211084 Ac Dimethylarsinic acid C[As](C)(O)=O Tox21_300767 -NCGC00090952-07 196714374 tox21-ror-cho-viability-p1 set2 4 19.6658616925 12.0698257081 0.9301742919 13 0.8999999999 0.8810986857 0.0007758173 0.81506116 0.03273993 0.52549018 -0.05818809 1.01214874 2.60725938 1.68520578 1.15282249 3.55341429 3.03936945 0.34089734 5.46624415 7.45575941 8.37176116 10.63259039 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00254078-01 196714778 tox21-ror-cho-viability-p1 set2 4 2.89485595 2.66492677 -0.85894329 -0.34952537 3.3434742 2.26925436 1.80905798 2.9737008 -0.59121016 2.68713191 1.31326906 7.47691379 3.5084002 1.8338969 1.3512895 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-06-2 6914 144210509 A A 2,4,6-Trichlorophenol Clc1cc(Cl)cc(Cl)c1O Tox21_300189 -NCGC00254464-01 196714784 tox21-ror-cho-viability-p1 set2 4 -0.98880644 0.06772977 3.7265463 -0.40718262 1.68485209 1.90073076 -1.50147272 1.68794345 4.85605768 5.02913598 3.01396887 4.01869394 4.58130007 2.70207393 6.87597932 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-82-0 8139 144210872 A Fns Methyl dodecanoate O=C(CCCCCCCCCCC)OC Tox21_300555 -NCGC00091643-08 196714787 tox21-ror-cho-viability-p1 set2 -3 61.130564862 -49.9670343692 0.230203522 -49.7368308472 3.6272481694 0.9922995406 2E-10 -0.31892953 1.17670644 1.07012996 -1.3037189 1.3285707 -0.68453229 -0.11401087 0.60239312 0.27043323 0.28927992 1.21921616 2.36703232 -0.48365541 -9.58044437 -40.33093246 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00254642-01 196715196 tox21-ror-cho-viability-p1 set2 4 0.0133243788 -6.144917892 0.5 -5.644917892 3.9899729863 0.4027247327 0.2877005229 0.31226646 0.16338129 0.6572692 -2.54962357 -4.68856614 -9.57205808 -7.2005093 -10.12076491 -0.43864009 -8.81315844 0.33824101 -2.52178792 -5.72701897 -5.91549879 3.92550176 1.154E-9 2.5809999999E-9 5.772E-9 1.291E-8 2.886E-8 6.453E-8 1.443E-7 3.227E-7 7.215E-7 0.0000016129999999 0.000003607 0.000008066 0.000018039999999 0.000040329999999 0.00009018 6734-80-1 24180709 144211053 D Metam-sodium hydrate [Na+].O.O.O.[S-]C(=S)NC Tox21_300736 -NCGC00254141-01 196715200 tox21-ror-cho-viability-p1 set2 4 -0.35295802 0.27128529 0.86204474 1.41246449 1.19439164 0.06625394 0.17124404 1.72336895 -0.36888816 0.59217256 0.64389572 2.14294128 3.60544714 1.02512956 -5.73516222 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-30-1 8174 144210398 A A 1-Decanol CCCCCCCCCCO Tox21_300078 -NCGC00183048-01 196726044 tox21-ror-cho-viability-p1 set3 1.2 3.3491459627 39.2130879958 0.934285976 40.1473739718 0.9999999999 0.9361132022 0.0000316462 -4.63809502 -3.39468947 2.79078159 7.03110867 4.64621507 1.50162711 0.16090987 0 11.22410439 5.00693458 15.29381569 21.31665723 31.76946585 35.22880481 36.41899409 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 147816-23-7 6918126 144206810 I I Cefcapene pivoxil hydrochloride Cl.Nc1scc(n1)\C(=C\CC)C(=O)N[C@@H]3C(=O)N2C(=C(COC(N)=O)CS[C@@H]23)C(=O)OCOC(=O)C(C)(C)C Tox21_113259 -NCGC00253622-01 196726043 tox21-ror-cho-viability-p1 set3 4 0.0047307944 19.97996972 -16.47996972 3.5 0.2 0.3994337192 0.2900279848 -5.12965346 -14.9833081 -5.17125961 -4.45625836 -6.44012737 -3.37948541 2.35425505 -7.09150096 -6.41380913 -3.79588467 1.27963551 2.86780005 -2.4608468 0.57085281 -7.36612738 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56718-70-8 92515 170466737 F A 2,3-Epoxypropyl 4-(2-methoxyethyl)phenyl ether COCCc2ccc(OCC1CO1)cc2 Tox21_113752 -NCGC00256581-01 196726444 tox21-ror-cho-viability-p1 set3 1.2 24.3365162115 55.1543003618 -1.175972531 53.9783278308 4.9549173134 0.9917817603 3E-10 -0.90053824 -0.62128414 -0.40899123 0.22001379 -3.04125715 0.23645607 -1.73087892 -2.01431215 -3.19895289 -2.96445097 -0.01329813 0.37971047 11.03639926 53.54562837 50.98989738 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 389-08-2 4421 144213071 A A Nalidixic acid O=C(O)C2=CN(CC)c1nc(C)ccc1C2=O Tox21_302754 -NCGC00257327-01 196726515 tox21-ror-cho-viability-p1 set3 4 0.2984512 -0.31595183 -0.15424514 4.53323765 4.50803616 1.0207631 6.5778077 8.46241307 -4.79783802 -11.90501474 -16.1685748 0.32329261 1.46588409 5.96103736 8.53391478 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27247-96-7 62823 144213694 A Ac 2-Ethylhexyl nitrate O=[N+]([O-])OCC(CCCC)CC Tox21_303382 -NCGC00344566-01 196725684 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -51.1612454005 4.5 -46.6612454005 4.9549173134 0.9301800935 0.0000507323 -2.41948606 2.01221118 6.20560867 2.66665263 4.62952737 3.68987092 11.1753474 3.87919412 6.33351659 3.74422682 2.40332129 6.34137298 6.62553921 3.52550024 -41.06088067 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 170729-80-3 60196364 170464796 F Aprepitant C[C@@H](O[C@H]2OCCN(CC1=NC(=O)N=N1)[C@H]2C3CCC(F)CC3)c4cc(cc(c4)C(F)(F)F)C(F)(F)F Tox21_113595_1 -NCGC00181774-02 196726101 tox21-ror-cho-viability-p1 set3 4 0.54278389 -0.30551605 -2.80923607 5.31127388 4.12731582 5.15588056 5.65894041 0.03906272 6.83849932 5.21258335 6.43228511 -1.60059456 8.50133547 0.1547277 6.7026271 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 491-59-8 10288 170465659 F Chrysarobin Oc2c3c(cc1cccc(O)c12)cc(C)cc3O Tox21_113041_1 -NCGC00183001-01 196726117 tox21-ror-cho-viability-p1 set3 4 0.0118832183 9.51095904 -11.51095904 -2 0.6 0.3621214578 0.3092789088 -6.16212584 -12.9257992 -7.03522515 -8.78762634 -5.15871753 -9.23728513 -0.321956 -8.39761908 -0.66984138 -0.13018079 1.69089572 -9.09761142 2.25352554 -1.56844417 -5.09165683 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 150683-30-0 216237 144206807 A A Tolvaptan Cc1ccccc1C(=O)Nc2ccc(c(C)c2)C(=O)N4CCCC(O)c3cc(Cl)ccc34 Tox21_113256 -NCGC00255675-01 196726526 tox21-ror-cho-viability-p1 set3 4 61.130564862 -14.0841631759 1 -13.0841631759 4.9549173134 0.9033614061 0.000279807 1.310511 0.90286717 0.15521024 0 1.08187749 -0.42829549 2.86657975 0.91105377 0.72371905 -0.32550484 -0.71298171 1.3834367 2.49362116 -1.01064711 -11.32013598 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33228-44-3 93162 144212016 A A 4-Pentylaniline Nc1ccc(CCCCC)cc1 Tox21_301699 -NCGC00256697-01 196726527 tox21-ror-cho-viability-p1 set3 4 2.48950763 -0.01423511 1.41418662 -14.70148036 -10.25233364 -18.37589723 2.25736696 -22.41139543 0 -3.65557102 -2.36777746 0.02197884 2.44656192 -3.1461948 -1.250999 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5331-43-1 79242 144213036 A Ac Hydrazinecarboxylic acid, phenylmethyl ester NNC(=O)OCc1ccccc1 Tox21_302719 -NCGC00257160-01 196726532 tox21-ror-cho-viability-p1 set3 -1.1 0.1722893406 -94.6839959913 2.6339173349 -92.0500786564 4.9549173134 0.9766563947 1.157E-7 1.78290968 1.22676633 2.64626541 4.09059237 1.67132325 4.42458961 -28.88154562 -93.96198068 -92.57925145 -88.67208669 -74.04342805 -80.17230461 -99.89112135 -100.93210379 -100.45252992 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 683-18-1 12688 144213429 F A Dibutyltin dichloride CCCC[Sn](Cl)(Cl)CCCC Tox21_303112 -NCGC00259610-01 196705858 tox21-ror-cho-viability-p1 set1 4 2.92255835 4.60204992 -1.13187724 0.20560114 6.18042864 -1.09571354 2.23800582 0.12052226 5.59790763 0 0.75520236 -0.03398784 3.36470558 3.65652246 0.79442266 1.2069999999E-9 2.6979999999E-9 6.033E-9 1.349E-8 3.017E-8 6.745E-8 1.5079999999E-7 3.373E-7 7.541E-7 0.0000016859999999 0.0000037709999999 0.000008432 0.00001885 0.000042159999999 0.000094269999999 57837-19-1 42586 144209259 A A Metalaxyl CC(N(C(=O)COC)c1c(C)cccc1C)C(=O)OC Tox21_202061 -NCGC00259271-01 196706269 tox21-ror-cho-viability-p1 set1 4 68.241009061 -17.0216185959 3.5 -13.5216185959 4.0949729863 0.4311867966 0.2426640897 7.05996502 2.9739185 -0.48260866 9.34409017 1.13951097 -1.581197 6.90388614 1.81390895 0.2774462 12.17717486 3.76945299 -0.08791809 1.56832409 1.85388561 -9.60134883 1.175E-9 2.628E-9 5.877E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.346E-7 0.000001643 0.000003673 0.0000082129999999 0.000018359999999 0.00004107 0.000091819999999 140-64-7 8813 144208920 A A Pentamidine isethionate OCCS(=O)(=O)O.OCCS(=O)(=O)O.N=C(N)c1ccc(cc1)OCCCCCOc2ccc(cc2)C(=N)N Tox21_201722 -NCGC00259804-01 196705862 tox21-ror-cho-viability-p1 set1 4 -0.77728019 -5.1760576 2.21918441 -7.0168243 -0.51378404 -1.00844118 -0.09967713 -10.12578279 2.50574669 -13.08408855 0.93059189 1.09128021 0.11874761 -0.86504555 1.2957379 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.33E-7 7.446E-7 0.000001665 0.0000037229999999 0.000008324 0.00001861 0.00004162 0.000093069999999 126-00-1 67174 144209453 A A Diphenolic acid Oc1ccc(cc1)C(C)(CCC(=O)O)c2ccc(O)cc2 Tox21_202255 -NCGC00259794-01 196705871 tox21-ror-cho-viability-p1 set1 4 -2.77987906 -0.16754358 -2.25164697 -2.21496649 -4.04472494 -3.455049 -8.83131506 -2.17458014 0.34777232 -18.99010391 0.99881871 -1.1309837 0.54523012 0.92074746 5.85958212 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.481E-7 3.311E-7 7.4029999999E-7 0.000001655 0.000003701 0.0000082769999999 0.00001851 0.00004138 0.00009253 110-63-4 8064 144209443 A A 1,4-Butanediol OCCCCO Tox21_202245 -NCGC00259169-01 196706272 tox21-ror-cho-viability-p1 set1 4 2.79555082 1.32432853 -3.58792333 -9.52205415 -0.41120112 1.94135818 -11.56431249 -10.9891978 0.41166307 0 -7.07651622 -8.45377262 1.04963214 0.72591253 7.74233059 1.185E-9 2.651E-9 5.927E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3129999999E-7 7.409E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009261 930-69-8 4110039 144208818 D Sodium benzenethiolate [Na+].[S-]c1ccccc1 Tox21_201620 -NCGC00258853-01 196706274 tox21-ror-cho-viability-p1 set1 4 -9.8003662 -3.57960957 -8.63242674 -12.28712788 -8.9799889 -7.57138596 -4.81244689 -10.61950054 -6.17440267 -12.29089636 7.19268337 -12.59858257 -13.44357363 -12.5950403 -16.82538406 1.164E-9 2.603E-9 5.821E-9 1.302E-8 2.911E-8 6.508E-8 1.4549999999E-7 3.254E-7 7.2769999999E-7 0.0000016269999999 0.0000036379999999 0.000008136 0.00001819 0.00004068 0.000090959999999 505-52-2 10458 144208499 A A Tridecanedioic acid O=C(O)CCCCCCCCCCCC(=O)O Tox21_201301 -NCGC00259381-01 196706281 tox21-ror-cho-viability-p1 set1 4 13.5463731356 6.8352447759 -1.3352447759 5.5 3.9294729863 0.3826552058 0.3078892298 -1.46604348 -3.19494097 -0.4122147 0.26267198 0.36561808 0.54070379 -1.29843892 -4.86270398 -2.02371738 5.41871474 -4.3132493 -2.67379843 5.57844446 4.15278891 -1.05276323 1.1699999999E-9 2.617E-9 5.851E-9 1.3079999999E-8 2.926E-8 6.542E-8 1.463E-7 3.271E-7 7.314E-7 0.0000016359999999 0.000003657 0.000008178 0.00001829 0.000040889999999 0.00009143 93-58-3 7150 144209030 A A Methyl benzoate COC(=O)c1ccccc1 Tox21_201832 -NCGC00259342-01 196706282 tox21-ror-cho-viability-p1 set1 4 0.0039356593 -7.609835028 8 0.390164972 0.7999999999 0.4551095158 0.2240207761 3.83119888 9.14149427 2.55611881 0.25559003 2.08716051 -0.46345628 3.48178414 1.10995208 3.53987674 0 -1.34152919 0.05791843 0.40610623 0.8788225 -0.38365393 1.1999999999E-9 2.684E-9 6.001E-9 1.3419999999E-8 3E-8 6.7089999999E-8 1.5E-7 3.3539999999E-7 7.5009999999E-7 0.000001677 0.0000037499999999 0.0000083859999999 0.00001875 0.00004193 0.00009376 119-64-2 8404 144208991 A Ac Tetralin c1ccc2CCCCc2c1 Tox21_201793 -NCGC00259693-01 196706688 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -14.503168188 -1 -15.503168188 4.9549173134 0.3503726724 0.3203759011 -3.09167183 0.26014989 -8.06319725 0.16712896 3.04729213 -3.27160912 -0.53430544 -9.19890151 6.2900873 0 0.7977776 1.64195658 0.73754788 0 -12.08597349 1.18E-9 2.6389999999E-9 5.9009999999E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.299E-7 7.376E-7 0.000001649 0.000003688 0.0000082469999999 0.00001844 0.000041229999999 0.0000922 101-54-2 7564 144209342 A D N-Phenyl-1,4-benzenediamine Nc2ccc(Nc1ccccc1)cc2 Tox21_202144 -NCGC00259392-01 196706689 tox21-ror-cho-viability-p1 set1 4 0.61313198 9.51024734 -4.72122702 1.21694761 2.96394719 0.39235375 -2.82288228 -0.27839818 -6.77114255 10.14052745 -5.6425829 -0.72036967 -3.37722181 -9.8080879 -2.67922628 1.159E-9 2.591E-9 5.793E-9 1.2949999999E-8 2.8969999999E-8 6.4769999999E-8 1.448E-7 3.239E-7 7.2419999999E-7 0.0000016189999999 0.0000036209999999 0.000008096 0.0000181 0.000040479999999 0.00009052 117-83-9 8345 144209041 A A Bis(2-butoxyethyl) phthalate O=C(OCCOCCCC)c1ccccc1C(=O)OCCOCCCC Tox21_201843 -NCGC00258891-01 196706694 tox21-ror-cho-viability-p1 set1 4 0.2653034973 8.690426836 -5.690426836 3 4.9549173134 0.4955780799 0.182571289 -13.90868903 1.45229534 -3.86496504 -5.70784872 -7.74881665 -0.36910317 -8.09130416 0.17829091 10.81076842 0 1.89225336 2.10409481 1.35188588 -0.33784705 5.06486371 1.152E-9 2.5769999999E-9 5.762E-9 1.289E-8 2.8809999999E-8 6.443E-8 1.441E-7 3.221E-7 7.203E-7 0.000001611 0.000003601 0.000008053 0.00001801 0.00004027 0.00009004 81335-77-5 54740 144208537 A A Imazethapyr CC1(N=C(NC1=O)c2ncc(CC)cc2C(=O)O)C(C)C Tox21_201339 -NCGC00094532-06 196706697 tox21-ror-cho-viability-p1 set1 4 0.3923855273 10.270748332 -11.270748332 -1 2.7202212143 0.4709553161 0.221634698 -0.29870963 -7.46288353 -11.46924453 -16.47562361 -14.05002125 -15.46057863 -14.12196543 -7.19214546 -0.30939019 -5.34314721 7.27923231 -0.31222078 0.99200821 -9.37460642 -14.32587465 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00090827-04 196707103 tox21-ror-cho-viability-p1 set1 4 -6.34705742 -1.32775834 -9.75342713 -4.10992925 -12.21812165 -14.79790539 -1.21067657 -5.76418738 -10.66423486 -18.14680707 -17.33995751 0.44225119 -17.08170838 -11.42160614 -12.12446954 1.188E-9 2.656E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.641E-8 1.4849999999E-7 3.321E-7 7.425E-7 0.0000016599999999 0.000003712 0.0000083009999999 0.00001856 0.000041509999999 0.00009281 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00090965-04 196706628 tox21-ror-cho-viability-p1 set1 4 30.6378586933 -16.1732989839 4.5 -11.6732989839 1.6435888099 0.3623508617 0.3247979816 4.71806137 7.96454426 -0.10867098 7.8608401 5.92866925 2.48713062 0.2432045 0.21555029 7.06245467 14.4962565 0.91551641 0.95485773 1.07894793 -6.39441582 0.51532101 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00259144-01 196706647 tox21-ror-cho-viability-p1 set1 4 1.2060836037 -6.359586416 -5.52923952 -11.888825936 1.9673362061 0.6229270239 0.0820529211 -6.01036904 -4.9788352 -9.29069316 -7.22678206 -3.3576996 -3.86760808 -8.02153478 -4.31484066 -4.95031252 -10.88452679 -15.74068828 -10.01832388 -9.10935115 -12.22107346 -12.7629338 1.1689999999E-9 2.614E-9 5.845E-9 1.3069999999E-8 2.922E-8 6.535E-8 1.461E-7 3.267E-7 7.306E-7 0.0000016339999999 0.000003653 0.0000081679999999 0.00001826 0.00004084 0.000091319999999 55-38-9 3346 144208793 A B Fenthion Cc1cc(ccc1SC)OP(=S)(OC)OC Tox21_201595 -NCGC00258823-01 196706231 tox21-ror-cho-viability-p1 set1 4 -0.25906114 -4.01460186 -8.10552659 -12.0793017 -5.56218936 -3.40273036 -5.7429036 -9.38022739 1.01982231 -2.36985646 1.0314364 -11.77059026 -1.84484387 -9.41272201 0.56261935 1.163E-9 2.5999999999E-9 5.8149999999E-9 1.2999999999E-8 2.9069999999E-8 6.501E-8 1.454E-7 3.2509999999E-7 7.269E-7 0.000001625 0.000003634 0.000008127 0.00001817 0.00004063 0.00009086 1703-58-8 15560 144208469 A A 1,2,3,4-Butanetetracarboxylic acid OC(=O)CC(C(CC(=O)O)C(=O)O)C(=O)O Tox21_201271 -NCGC00259932-01 196706235 tox21-ror-cho-viability-p1 set1 4 54.5935042736 -24.788779928 1 -23.788779928 2.6384283767 0.9274345839 0.0000627433 2.96334016 1.53236797 1.62725293 0.19073615 2.18767344 -0.86435194 0.626062 -1.09872633 -0.14539478 0 4.77598449 0.19425199 -0.37637476 -6.80289474 -18.99064994 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.305E-7 7.3889999999E-7 0.0000016519999999 0.0000036949999999 0.000008262 0.000018469999999 0.00004131 0.00009237 2921-88-2 2730 144209581 A B Chlorpyrifos Clc1cc(Cl)c(Cl)nc1OP(=S)(OCC)OCC Tox21_202383 -NCGC00257459-01 196707054 tox21-ror-cho-viability-p1 set1 4 40.0147109339 -14.19303162 2 -12.19303162 4.9549173134 0.7176654286 0.0312519346 0.55251822 2.19862738 1.71604018 -0.27215451 1.37787114 0.21358836 1.90354532 1.63243339 5.99563608 0.06967475 3.98648341 4.07603501 -0.44166791 1.42647152 -9.32752635 6.842E-10 1.5299999999E-9 3.4209999999E-9 7.6499999999E-9 1.711E-8 3.8249999999E-8 8.5529999999E-8 1.913E-7 4.277E-7 9.563E-7 0.0000021379999999 0.000004781 0.00001069 0.00002391 0.00005346 90357-06-5 56069 144213865 A A Bicalutamide Fc1ccc(cc1)S(=O)(=O)C[C@](C)(O)C(=O)Nc2cc(c(C#N)cc2)C(F)(F)F Tox21_303560 -NCGC00256332-01 196707058 tox21-ror-cho-viability-p1 set1 4 24.3365162115 -12.001184744 -2 -14.001184744 2.2526478767 0.5440118696 0.1410130636 -2.574258 -4.08628795 -1.38045804 -0.68375923 -4.5503384 -2.88682638 -3.23646069 -4.12886362 -7.6106016 7.36335171 0.57037285 -4.13342199 -6.40780532 -10.89503364 -13.33432062 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 834-28-6 13266 144213321 A A Phenformin hydrochloride Cl.N=C(N)NC(=N)NCCc1ccccc1 Tox21_303004 -NCGC00256970-01 196707064 tox21-ror-cho-viability-p1 set1 4 -3.58494368 -6.06140097 -12.25015143 -0.61207484 -14.47965567 -7.7601209 -0.83633077 -8.47600184 -17.08535423 -9.59662545 -10.59053984 -18.42149855 -9.77931973 -6.15035817 -12.06608276 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.000001648 0.000003684 0.000008238 0.00001842 0.00004119 0.000092099999999 1077-28-7 864 144213409 A A alpha-Lipoic acid O=C(O)CCCCC1CCSS1 Tox21_303092 -NCGC00257442-01 196707462 tox21-ror-cho-viability-p1 set1 4 -0.76251289 -1.00496811 1.39400779 1.93209704 1.24052914 1.88599968 4.67675058 0.75347865 -2.1892669 0.86595812 0.21711101 0.74050734 1.27212222 2.92665948 -1.57282118 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-19-6 31289 144213908 F Fns Nonanal CCCCCCCCC=O Tox21_303603 -NCGC00257164-01 196707478 tox21-ror-cho-viability-p1 set1 4 4.1621575 0.21635803 -0.88199273 -1.71767771 0.61609818 3.9728812 -1.43872808 0.79465944 3.17217478 0.47193347 1.90147591 -1.20089123 3.28185737 1.82587507 7.35859396 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 77-86-1 6503 144213484 Z A Tromethamine OCC(N)(CO)CO Tox21_303167 -NCGC00257504-01 196707483 tox21-ror-cho-viability-p1 set1 4 6.1130564862 8.267082628 0.732917372 9 4.9549173134 0.4355711842 0.2384015038 -1.17981916 1.33608608 9.79013781 3.54587547 -1.89351103 -0.35551763 1.35798871 0.632636 -3.55590219 2.36905941 -3.35234094 9.96849857 11.35177708 1.40002373 12.12063089 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52225-20-4 86472 144213754 F Fns dl-alpha-Tocopheryl acetate CC(=O)Oc2c(C)c(C)c1O[C@@](C)(CCc1c2C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C Tox21_303444 -NCGC00257205-01 196707877 tox21-ror-cho-viability-p1 set1 4 1.05837567 1.57780456 -3.53760372 2.01664392 -0.30206786 -0.34200414 3.20447885 3.45832142 3.61158882 1.19710122 0.169704 0.71114268 0.50426201 -4.02076251 -3.91224412 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 610-39-9 11883 144213527 A A 3,4-Dinitrotoluene O=[N+]([O-])c1cc(C)ccc1[N+]([O-])=O Tox21_303210 -NCGC00257274-01 196707884 tox21-ror-cho-viability-p1 set1 4 -3.99772707 -6.65015238 -9.80722997 -5.34445378 -10.48194396 -12.8650148 -5.90925876 -11.52952574 -20.5598063 -20.60297172 -9.59698769 -12.00106427 -7.64244322 -4.25785982 -9.985016 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7757-79-1 24434 144213706 Potassium nitrate [K+].[O-][N+]([O-])=O Tox21_303394 -NCGC00254281-01 196713980 tox21-ror-cho-viability-p1 set2 4 -1.76713458 -1.53578527 -6.902274 -2.06504577 -2.1913607 -3.46760353 -4.36461243 -9.7180736 -7.05754068 -6.1783956 -1.46181838 -4.93106711 -7.93807118 -8.41758645 -4.78491268 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.00001889 0.00004225 0.00009447 95-87-4 7267 144210644 A A 2,5-Dimethylphenol Cc1cc(O)c(C)cc1 Tox21_300326 -NCGC00254502-01 196713974 tox21-ror-cho-viability-p1 set2 4 6.8589621897 -9.590086356 0.5 -9.090086356 2.3531167061 0.9581608923 0.0000032262 -0.11310281 0.08728238 1.74590919 0.62256494 0.03077672 0.36616225 0.32757261 0.2760173 0.38561718 -0.28336335 -0.59641818 -5.74169032 -6.50454676 -10.49173863 -8.67793175 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 249296-43-3 9935274 144210756 A A CJ-013610 O=C(N)C1(CCOCC1)c4cccc(Sc2ccc(cc2)n3ccnc3C)c4.CS(=O)(=O)O Tox21_300438 -NCGC00254394-01 196713976 tox21-ror-cho-viability-p1 set2 4 0.02791903 -0.76217018 2.11857295 -0.66196583 -1.41189542 3.63617751 3.29038384 -0.70167496 4.32866949 5.02255152 2.6277146 5.38034112 7.51553801 5.05248984 6.31819501 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 553-26-4 11107 144210894 A A 4,4'-Bipyridine c1cc(ccn1)c2ccncc2 Tox21_300577 -NCGC00090780-04 196713977 tox21-ror-cho-viability-p1 set2 4 0.51224192 -0.91389277 -1.62109573 -5.77308425 -3.22167829 -1.49500552 -4.35468314 -0.17618089 -8.70189275 -5.50936622 0.15988201 -7.73888193 -1.93598903 -8.90604933 0.45925718 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00163815-04 196714384 tox21-ror-cho-viability-p1 set2 -2.1 65.1933385464 -77.667921696 -2.52320662 -80.191128316 2.9022712143 0.9109760577 0.0001788807 -1.8142011 -0.32589374 -0.41436498 -3.29748153 -7.90954933 -6.05223161 -7.85086343 -4.13674202 7.18250803 -3.13875184 -3.75711472 7.9660599 -10.93077313 -18.55273638 -62.2660063 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00253912-01 196714391 tox21-ror-cho-viability-p1 set2 4 0.3857077887 5.252195828 -6.252195828 -1 4.9549173134 0.4760315963 0.2018455255 -6.14523937 -8.39507388 -3.83913643 -11.46016319 -1.59932275 -6.00950095 -6.43589654 -5.03897067 -0.66821657 0.31659989 -2.29987775 -0.25852149 2.49057108 -6.09724932 -1.67380254 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-90-2 1983 144210420 A A Acetaminophen Oc1ccc(NC(C)=O)cc1 Tox21_300100 -NCGC00254438-01 196714791 tox21-ror-cho-viability-p1 set2 4 -1.15299137 1.40346228 0.40905768 -1.49761102 -1.83149328 3.74124347 1.84443522 0.07867535 -0.63878932 0.70277111 3.59362373 1.31942937 -0.24564108 3.78904082 2.03328398 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 261947-38-0 10145345 144210761 A A CP-532623 FC(F)(F)c1cc(cc(c1)C(F)(F)F)CN([C@H]3C[C@@H](CC)N(c2ccc(cc23)C(F)(F)F)C(=O)OC(C)C)C(C)=O Tox21_300443 -NCGC00254272-01 196714795 tox21-ror-cho-viability-p1 set2 4 -10.90216827 -7.83139604 -1.27987891 -2.18431254 -1.98589755 -0.18823053 -0.83457533 -1.44508414 -6.16843313 -0.6569695 -3.85020609 -21.50375974 -5.45216648 -5.30712334 -17.31267576 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69-09-0 6240 144210835 A A Chlorpromazine hydrochloride Cl.CN(C)CCCN1c3ccccc3Sc2ccc(Cl)cc12 Tox21_300517 -NCGC00254126-01 196714800 tox21-ror-cho-viability-p1 set2 4 0.26907496 3.53568009 -0.45858129 2.09989219 0.15579913 1.47946917 2.39723143 1.48012588 1.56431746 4.40023927 1.15228978 0.73005341 5.13376759 2.15592035 4.64504395 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6422-86-2 22932 144210641 A Bis(2-ethylhexyl) terephthalate CCC(CCCC)COC(=O)c1ccc(cc1)C(=O)OCC(CC)CCCC Tox21_300322 -NCGC00254686-01 196714809 tox21-ror-cho-viability-p1 set2 -2.2 48.5577336745 -45.5972748024 1.4830731829 -44.1142016195 3.5117481694 0.9631900464 0.0000015425 3.52015196 -0.63689811 0.62558186 -0.13235408 -1.97855023 -1.1117119 2.24907865 3.64982862 4.93123664 3.0561505 -1.84483176 3.53943033 0.02994024 -14.27265159 -40.23803153 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1031-07-8 13940 144211099 A A Endosulfan sulfate ClC2=C(Cl)C3(Cl)C1COS(=O)(=O)OCC1C2(Cl)C3(Cl)Cl Tox21_300782 -NCGC00254551-01 196715223 tox21-ror-cho-viability-p1 set2 4 -1.45308998 0.99060594 2.65998099 2.02701833 2.26669644 3.31358326 0.44615703 2.1940741 0.19738469 6.51035656 1.8555164 -0.93163777 8.08295317 1.44114632 6.78815471 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10094-34-5 24915 144210960 A F 1,1-Dimethyl-2-phenylethyl butanoate CCCC(=O)OC(C)(C)Cc1ccccc1 Tox21_300643 -NCGC00255045-01 196714006 tox21-ror-cho-viability-p1 set2 4 2.15112836 -1.11252642 0.9323186 1.16186495 1.38016381 -0.13954131 0.98192267 1.32392974 2.44231891 0.32189151 0.66121099 3.63745349 2.52102884 2.15218676 0.9453843 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-81-5 7580 144211464 A A Diphenylmethane c1ccccc1Cc2ccccc2 Tox21_301147 -NCGC00090760-08 196727442 tox21-ror-cho-viability-p1 set3 -2.4 48.2616000528 -28.509142704 1 -27.509142704 3.5117481694 0.972367573 3.061E-7 -0.19098022 0.16220486 1.01744151 0.4166512 2.03949882 1.26320928 -1.08053798 -0.09562966 1.09281486 2.99462453 1.61607719 2.68047097 1.88460876 -9.42883183 -25.00761892 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00256990-01 196727016 tox21-ror-cho-viability-p1 set3 4 -3.0583578 -14.02733046 0 -14.91480123 -13.22346142 0 0 0 0 0 0 -8.43433111 -8.81901293 -9.17545397 -5.9239167 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-68-5 7154 144213463 A C N-(2-Methylphenyl)-3-oxobutanamide O=C(Nc1ccccc1C)CC(C)=O Tox21_303146 -NCGC00257454-01 196727025 tox21-ror-cho-viability-p1 set3 4 28.748816637 -18.1762806239 0.5 -17.6762806239 4.9549173134 0.7144945436 0.0321342379 -2.46934401 0.0377959 0.44285976 1.24081229 -2.00793871 -0.61240334 2.78522245 2.38812919 0.9457542 1.46710664 3.4285126 0.60710585 -3.95692244 5.57569744 -16.39690052 4.719E-10 1.055E-9 2.359E-9 5.276E-9 1.18E-8 2.638E-8 5.899E-8 1.3189999999E-7 2.949E-7 6.595E-7 0.000001475 0.000003297 0.0000073729999999 0.000016489999999 0.00003687 41372-20-7 107882 144213789 A A Apomorphine hydrochloride hydrate Cl.Cl.O.Oc3ccc4C[C@@H]1c2c(cccc2CCN1C)c4c3O.Oc3ccc2C[C@@H]1c4c(CCN1C)cccc4c2c3O Tox21_303480 -NCGC00256488-01 196727030 tox21-ror-cho-viability-p1 set3 4 0.1219715124 4.8649707319 -3.3649707319 1.5 3.9899729863 0.6318526872 0.0768934651 -1.71448276 -3.27842323 -3.92375219 -2.58918742 -3.12158921 -6.13747561 1.50905905 2.59392196 2.69804188 1.7125047 4.15666016 -0.21426115 -0.10015178 -2.18223312 1.56972107 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-68-3 6901 144213053 A Hexachloro-1,3-butadiene Cl/C(Cl)=C(\Cl)C(\Cl)=C(\Cl)Cl Tox21_302736 -NCGC00256286-01 196727860 tox21-ror-cho-viability-p1 set3 4 78.1342569491 22.1170889519 -2.1170889519 20 4.9549173134 0.3533887213 0.3164476665 0.46289025 2.18960765 3.1014888 2.19988558 -12.17594242 -2.9874413 -1.93868853 -0.52339639 -14.68090746 7.38902323 -3.58036594 -0.55007522 1.66491161 -7.34283394 15.34968535 1.195E-9 2.672E-9 5.975E-9 1.336E-8 2.988E-8 6.6809999999E-8 1.494E-7 3.34E-7 7.469E-7 0.0000016699999999 0.000003735 0.000008351 0.00001867 0.00004175 0.00009336 142-64-3 8893 144212660 A A Piperazine dihydrochloride Cl.Cl.C1CNCCN1 Tox21_302343 -NCGC00255545-01 196727862 tox21-ror-cho-viability-p1 set3 4 0.80650746 2.17684823 1.73508474 -1.85683122 -0.8091294 -0.918916 5.33980719 -10.44758575 6.43268344 1.5402083 -1.55086122 -1.25518274 3.29649479 -2.06459648 3.55109653 1.2589999999E-9 2.8149999999E-9 6.294E-9 1.4069999999E-8 3.1469999999E-8 7.037E-8 1.5729999999E-7 3.5179999999E-7 7.8669999999E-7 0.0000017589999999 0.000003934 0.0000087959999999 0.00001967 0.000043979999999 0.00009834 8004-92-0 24671 144212408 F C.I. Acid Yellow 3 disodium salt [Na+].[Na+].[O-]S(=O)(=O)c1cc(cc2ccc(nc12)C4C(=O)c3ccccc3C4=O)S([O-])(=O)=O Tox21_302091 -NCGC00255287-01 196727868 tox21-ror-cho-viability-p1 set3 4 -5.5594129 -4.34464473 1.36749083 -2.36773252 1.22037803 1.58495245 -4.81450746 -7.55417717 -0.32776827 -0.1579745 -1.06098986 1.48831894 -0.03543368 2.47483068 -1.51565417 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16079-88-2 61828 144212692 D 1-Bromo-3-chloro-5,5-dimethylhydantoin O=C1N(Cl)C(=O)N(Br)C1(C)C Tox21_302375 -NCGC00255241-01 196727871 tox21-ror-cho-viability-p1 set3 4 -1.14236639 2.91704824 -0.42853972 2.30217542 -3.34136469 0.889172 2.76853943 2.58179296 2.51217007 3.59875012 3.39832458 1.35272564 1.17121686 5.69457387 0.92886566 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51000-52-3 22833395 144211713 Z Fns Vinyl neodecanoate C=COC(=O)C(C)(CCC(C)C)CC Tox21_301396 -NCGC00256219-01 196728266 tox21-ror-cho-viability-p1 set3 4 -0.6260603 -3.37195344 -4.28522895 9.706024 10.03892477 14.91026659 0.52008858 5.3559245 -0.68894917 19.36973284 1.55063896 20.65672446 12.07127644 -2.01178268 5.50655227 9.969E-10 2.229E-9 4.9839999999E-9 1.1149999999E-8 2.492E-8 5.573E-8 1.246E-7 2.786E-7 6.23E-7 0.000001393 0.000003115 0.000006966 0.00001558 0.00003483 0.000077879999999 306-91-2 78972 144212608 F Tetracosafluorotetradecahydrophenanthrene FC2(F)C3(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C3(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C2(F)F Tox21_302291 -NCGC00163815-04 196728279 tox21-ror-cho-viability-p1 set3 -2.1 58.1036241395 -107.2927180668 -1.013512062 -108.3062301288 1.6258976909 0.9687785128 6.084E-7 1.67456976 -3.19676526 -0.08763791 0.20505546 -0.55501346 -1.9037107 3.08494628 2.54826082 -2.29468046 -2.09201784 -6.45006614 -7.69190326 -22.10229671 -33.4166954 -82.05017434 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00260125-01 196723758 tox21-ror-cho-viability-p1 set3 4 0.0557301484 5.3211419639 -1.8211419639 3.5 2.3331733767 0.6573402187 0.0725745518 -4.43428497 -0.77930825 -1.10793541 -0.30594069 -3.00207134 -0.22618804 2.51654682 2.28227902 3.1736147 5.90801075 6.50418977 1.91290686 1.02470456 1.4647172 -4.18551173 6.7619999999E-10 1.512E-9 3.381E-9 7.56E-9 1.691E-8 3.78E-8 8.4529999999E-8 1.8899999999E-7 4.2259999999E-7 9.45E-7 0.000002113 0.000004725 0.00001057 0.00002363 0.000052829999999 6258-06-6 5076555 144209774 Ac Bromamine acid sodium salt [Na+].[O-]S(=O)(=O)c3cc(Br)c2c(C(=O)c1ccccc1C2=O)c3N Tox21_202576 -NCGC00259516-01 196706310 tox21-ror-cho-viability-p1 set1 4 3.15514139 2.93878594 -3.35627723 -1.0637883 0.4438404 1.74398453 -12.04596077 1.45486587 -2.66428826 4.85406389 0.60044603 1.66254515 1.32547453 -0.45405287 -5.56622104 1.1859999999E-9 2.651E-9 5.928E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3139999999E-7 7.409E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009262 112-80-1 445639 144209165 A A Oleic acid O=C(O)CCCCCCC/C=C\CCCCCCCC Tox21_201967 -NCGC00259967-01 196705882 tox21-ror-cho-viability-p1 set1 4 3.36083704 2.10285783 4.57799863 0.20754486 5.59889583 0.19786167 0.78738772 -4.95126925 0.65948223 12.66017095 0.52366889 0.78443219 0.01226861 -5.84164259 -0.14665245 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003708 0.000008291 0.00001854 0.00004145 0.00009269 141-90-2 1269845 144209616 A A Thiouracil O=C1C=CNC(=S)N1 Tox21_202418 -NCGC00258937-01 196706288 tox21-ror-cho-viability-p1 set1 4 5.70744644 3.01293207 0.52162487 3.13353274 0.08138629 1.28359732 -0.62355867 -0.01887748 5.33947137 11.31215617 0.45855187 0.46353614 0.80555412 -0.04291381 -4.41410634 1.1859999999E-9 2.651E-9 5.929E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008286 0.00001853 0.000041429999999 0.00009264 2016-88-8 16230 144208584 A A Amiloride hydrochloride Cl.Clc1nc(C(=O)NC(=N)N)c(N)nc1N Tox21_201386 -NCGC00259517-01 196706295 tox21-ror-cho-viability-p1 set1 4 0.0007703709 -12.185063776 13 0.814936224 0.4 0.3434935596 0.34565753 8.47320549 2.7288199 1.90977863 9.82082722 1.99441798 2.15335927 0.53355195 -0.57088648 2.41100146 4.8028123 1.43013888 2.18522758 0.35854997 -0.45655434 7.00106769 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.000041259999999 0.000092249999999 114-26-1 4944 144209166 A A Propoxur CC(C)Oc1ccccc1OC(=O)NC Tox21_201968 -NCGC00259958-01 196706706 tox21-ror-cho-viability-p1 set1 4 5.07861092 11.82071962 8.12363318 5.97010724 -0.41224696 2.02448884 2.15956476 -0.46195964 0.95439996 12.4476406 0.49577532 1.60294618 1.17024273 0.91888607 -0.2184508 1.171E-9 2.6189999999E-9 5.856E-9 1.3089999999E-8 2.9279999999E-8 6.547E-8 1.464E-7 3.274E-7 7.3199999999E-7 0.000001637 0.00000366 0.0000081839999999 0.0000183 0.00004092 0.0000915 536-33-4 2761171 144209607 A A Ethionamide CCc1cc(ccn1)C(N)=S Tox21_202409 -NCGC00258859-01 196706709 tox21-ror-cho-viability-p1 set1 4 39.0812577817 8.5950038839 -6.5950038839 2 2.7202212143 0.3421564785 0.3288742178 -8.11742729 -4.96634413 -10.19955497 -8.26538391 -5.57497974 -3.86956146 -3.98987706 -5.84483161 0.35211165 -11.9632812 -12.99583657 -3.35905909 -5.40070098 -2.12691812 2.29980177 1.193E-9 2.6689999999E-9 5.967E-9 1.3339999999E-8 2.9839999999E-8 6.672E-8 1.4919999999E-7 3.3359999999E-7 7.4589999999E-7 0.000001668 0.00000373 0.00000834 0.00001865 0.0000417 0.00009324 2835-39-4 17816 144208505 AC Fc Allyl isovalerate CC(C)CC(=O)OCC=C Tox21_201307 -NCGC00259540-01 196706728 tox21-ror-cho-viability-p1 set1 4 4.57322588 2.46362253 -0.0597293 -0.55437173 0.25816514 4.57356718 3.64543793 1.35020813 8.85307469 5.56828178 6.1572593 -1.89590366 -0.37861237 4.38938235 1.52104832 1.165E-9 2.606E-9 5.827E-9 1.303E-8 2.9129999999E-8 6.515E-8 1.457E-7 3.2569999999E-7 7.284E-7 0.000001629 0.0000036419999999 0.000008143 0.00001821 0.000040719999999 0.000091049999999 538-93-2 10870 144209189 FNS Isobutylbenzene CC(C)Cc1ccccc1 Tox21_201991 -NCGC00257462-01 196707143 tox21-ror-cho-viability-p1 set1 4 10.4610982095 -12.164668668 1.5 -10.664668668 2.09374246 0.7902382566 0.0097938014 1.00465618 0.27602141 -1.43743125 0.3553675 0.03323745 3.92366154 6.83938018 3.81998505 -0.69864036 0.60628103 0.9256993 -1.33345298 -4.39192922 -10.13722389 -9.70767211 7.7859999999E-10 1.7409999999E-9 3.893E-9 8.705E-9 1.947E-8 4.353E-8 9.733E-8 2.176E-7 4.8659999999E-7 0.000001088 0.000002433 0.0000054409999999 0.000012169999999 0.000027199999999 0.00006083 13473-26-2 83511 144213909 Fns D&C Red 27 Brc4c5Oc1c(Br)c(O)c(Br)cc1C3(OC(=O)c2c3c(Cl)c(Cl)c(Cl)c2Cl)c5cc(Br)c4O Tox21_303604 -NCGC00090858-02 196707547 tox21-ror-cho-viability-p1 set1 4 2.27315403 0.5524935 -1.10905615 -0.29718669 -13.13300094 0.87990767 0.79077005 2.06231738 -6.90042514 -7.65118142 0.29703098 6.03639559 -7.06476654 1.35244923 -2.41439076 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00257343-01 196707555 tox21-ror-cho-viability-p1 set1 -2.1 27.3060203028 -70.335977267 -8.033295661 -78.369272928 4.9549173134 0.939256261 0.0000541203 -10.45084903 -6.87517923 -2.95863899 -14.53841203 -11.76761577 -7.86732498 -11.60592469 -13.36206035 -14.64680926 -6.62112563 -7.23940452 -0.70625591 -18.26184465 -72.5641416 -34.48788893 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 705-60-2 1549520 144213915 A A (2-Nitro-1-propenyl)benzene C\C(=C/c1ccccc1)[N+]([O-])=O Tox21_303610 -NCGC00256359-01 196707560 tox21-ror-cho-viability-p1 set1 4 -4.7435473 -2.17680051 4.64377291 -2.34238712 0.1483352 -2.90219982 -0.17107441 0.35767221 -0.2989414 -10.35983448 -6.25718399 -7.63873761 1.91504226 -1.20621382 4.31683824 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7758-19-2 23668197 144213117 Sodium chlorite [Na+].[O-]Cl=O Tox21_302800 -NCGC00257194-01 196707959 tox21-ror-cho-viability-p1 set1 4 2.4336516212 -4.2170999559 1 -3.2170999559 4.9549173134 0.3589658429 0.3307601834 1.99827624 2.02258725 0.87580503 -0.09606581 -0.72730103 -2.76176922 2.1139083 1.83260641 0.5796685 5.44100273 -7.68091663 -0.82299172 -4.06633875 -0.64287787 -0.9350602 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13684-63-4 24744 144213361 D Phenmedipham O=C(Oc1cccc(c1)NC(=O)OC)Nc2cc(C)ccc2 Tox21_303044 -NCGC00260050-01 196702988 tox21-ror-cho-viability-p1 set1 4 3.4586102705 -28.029854792 2 -26.029854792 0.3 0.674742759 0.050329118 -0.69410525 -4.38424984 0.23506248 0.44110552 -4.54594992 -5.30389483 -0.08265944 -7.27558897 -14.30508774 -10.54841241 -17.72572933 -3.21301556 -18.87089628 -14.62128123 -21.69154566 1.1859999999E-9 2.651E-9 5.928E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009262 10026-24-1 61444 144209699 Cobalt sulfate heptahydrate O.O.O.O.[Co+2].O.O.O.[O-]S([O-])(=O)=O Tox21_202501 -NCGC00258818-01 196709151 tox21-ror-cho-viability-p1 set2 4 43.9822472458 9.6805093399 -3.6805093399 6 0.7999999999 0.6120560286 0.0907472661 -3.77737005 -6.40042445 -2.02658777 -4.07487602 -1.28795779 -2.1016732 -6.35035337 -4.78812208 -4.78924581 -1.84871086 -0.957175 -0.45923027 -1.71251779 0.00378009 3.79340679 1.196E-9 2.6749999999E-9 5.981E-9 1.338E-8 2.9909999999E-8 6.6879999999E-8 1.4949999999E-7 3.344E-7 7.477E-7 0.0000016719999999 0.0000037379999999 0.0000083589999999 0.00001869 0.000041799999999 0.000093459999999 123-42-2 31256 144208464 A A Diacetone alcohol CC(=O)CC(C)(C)O Tox21_201266 -NCGC00259500-01 196709156 tox21-ror-cho-viability-p1 set2 4 4.14584853 0.95428207 1.80405268 -15.25584635 -5.75540378 2.12622568 1.28384161 -0.59568276 -0.84902362 0.7067723 -0.58042141 2.49510618 -0.7196101 -0.35370249 -1.38601054 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.593E-8 1.474E-7 3.297E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009214 25057-89-0 2328 144209149 A A Bentazone CC(C)N1C(=O)c2ccccc2NS1(=O)=O Tox21_201951 -NCGC00259857-01 196709170 tox21-ror-cho-viability-p1 set2 2.2 54.9262221145 36.8002852001 0.6997147999 37.5 2.7202212143 0.9840018409 1.31E-8 1.21809203 2.17465429 1.03167507 1.15121906 -0.57993608 -1.083571 1.71180341 0.72755549 0.64282586 -0.41531847 2.11366138 1.05203554 3.6346436 11.28321506 30.8581339 1.188E-9 2.657E-9 5.941E-9 1.3279999999E-8 2.971E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016609999999 0.000003713 0.000008303 0.00001857 0.000041509999999 0.000092829999999 117-39-5 5280343 144209506 A A Quercetin Oc1ccc(cc1O)C=3Oc2cc(O)cc(O)c2C(=O)C=3O Tox21_202308 -NCGC00259730-01 196709173 tox21-ror-cho-viability-p1 set2 4 0.0043365162 -6.0407248399 2.5 -3.5407248399 4.0949729863 0.3144105002 0.3563618412 2.93368155 0.79538818 -1.53572884 -6.03880984 -5.45466917 -3.18514313 2.18447927 -4.28904679 -6.51162057 1.77469411 -7.0974308 -6.0931323 -0.33762353 -7.1172707 -3.244722 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.386E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 108-68-9 7948 144209379 A A 3,5-Dimethylphenol Cc1cc(O)cc(C)c1 Tox21_202181 -NCGC00259038-01 196709571 tox21-ror-cho-viability-p1 set2 4 24.5346421974 7.32587484 -0.82587484 6.5 4.9549173134 0.8088364832 0.0068005517 -0.29900908 -1.45771975 -3.6048957 -1.03316632 -1.67828114 -0.56912854 -0.39452056 -0.99610651 -0.30611973 -3.26644181 0.98812555 0.30584887 -0.19269356 6.70729997 5.92284472 1.188E-9 2.656E-9 5.9389999999E-9 1.3279999999E-8 2.969E-8 6.64E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.000003712 0.0000083 0.00001856 0.0000415 0.00009279 69-65-8 6251 144208685 A A D-Mannitol O[C@H]([C@H](O)CO)[C@H](O)[C@H](O)CO Tox21_201487 -NCGC00259377-01 196709572 tox21-ror-cho-viability-p1 set2 4 34.4461724824 -18.8507363919 -1 -19.8507363919 4.0949729863 0.8594765302 0.0016770645 2.04544247 0.63863067 -2.44318968 0.01503657 1.70697724 -5.25855059 0.26650397 -5.3385429 -0.37509925 -2.74603984 -0.41601228 1.33387861 -3.82373503 -13.41340346 -19.87561366 1.182E-9 2.6429999999E-9 5.9109999999E-9 1.322E-8 2.955E-8 6.608E-8 1.4779999999E-7 3.304E-7 7.388E-7 0.0000016519999999 0.0000036939999999 0.0000082599999999 0.000018469999999 0.000041299999999 0.00009235 583-39-1 707035 144209026 A A 2-Mercaptobenzimidazole S=C1Nc2ccccc2N1 Tox21_201828 -NCGC00259402-01 196709573 tox21-ror-cho-viability-p1 set2 4 7.84060553 5.17028252 0.70106796 3.07125968 -0.10306345 2.45934145 2.58495227 0.75833639 -0.4885598 1.19920237 0.3450801 -0.39514618 -0.17010724 -0.43949088 -1.9994368 1.171E-9 2.617E-9 5.8529999999E-9 1.3089999999E-8 2.926E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.316E-7 0.0000016359999999 0.000003658 0.00000818 0.00001829 0.0000409 0.00009145 95-16-9 7222 144209051 A Benzothiazole c1cccc2scnc12 Tox21_201853 -NCGC00259786-01 196709583 tox21-ror-cho-viability-p1 set2 4 1.38964573 -0.4039429 0.66024872 -1.0897111 0.29217724 2.15565645 -4.66362795 -4.59614739 1.29214325 0.51000541 0.35607302 2.86326477 3.55893175 1.94836598 -0.09596228 1.191E-9 2.663E-9 5.954E-9 1.331E-8 2.977E-8 6.657E-8 1.489E-7 3.3289999999E-7 7.4429999999E-7 0.0000016639999999 0.000003721 0.0000083209999999 0.00001861 0.000041609999999 0.00009304 108-42-9 7932 144209435 A A 3-Chloroaniline Nc1cc(Cl)ccc1 Tox21_202237 -NCGC00255922-01 196709985 tox21-ror-cho-viability-p1 set2 4 2.30712257 -0.89039225 -0.25476716 1.49971654 -1.3082618 3.14571602 2.44148472 2.64721872 2.48831091 1.07769338 0.94957209 0.05247885 3.29532941 -0.37739847 3.95011208 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1132-61-2 70807 144212463 Ac 4-Morpholinepropanesulfonic acid O=S(=O)(O)CCCN1CCOCC1 Tox21_302146 -NCGC00247693-01 196705437 tox21-ror-cho-viability-p1 set1 4 -0.71887769 -1.66992291 -3.52192133 2.737163 1.17014532 -3.34113384 -2.97186959 2.93737611 -2.07649036 -0.33252159 1.94771105 -6.05401006 -2.45344532 -0.32043742 -0.07926372 1.2979999999E-9 2.902E-9 6.488E-9 1.4509999999E-8 3.244E-8 7.2539999999E-8 1.622E-7 3.627E-7 8.111E-7 0.000001814 0.0000040549999999 0.0000090679999999 0.00002028 0.00004534 0.0001014 1473-95-6 60196321 144206396 A A N-[1-(2-Hydroxy-2-phenylethyl)-4-piperidyl]-N-phenylpropanamide hydrochloride Cl.OC(CN1CCC(CC1)N(c2ccccc2)C(=O)CC)c3ccccc3 Tox21_112843 -NCGC00090686-07 196704622 tox21-ror-cho-viability-p1 set1 4 -2.44335642 -2.9597769 -2.66803865 -1.22025069 -1.14329014 -1.1400929 -0.52144904 -2.4790767 -6.21391924 -1.42425801 -4.9290461 -4.20918713 -8.57468673 -0.34116098 -8.47635149 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00016624-05 196705020 tox21-ror-cho-viability-p1 set1 4 33.4914596268 12.9928004799 -0.9928004799 12 4.9549173134 0.6177829362 0.0856850938 -3.46722349 -3.7440004 0.17298238 0.39035684 -1.33527099 -0.91783566 -0.34586695 0.57724879 -1.62950122 -3.08597819 -0.81088259 0.05902445 4.92002221 -2.11729953 9.9802112 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 972-02-1 3055 170465280 A Diphenidol OC(CCCN1CCCCC1)(c2ccccc2)c3ccccc3 Tox21_113073_1 -NCGC00186628-02 196705034 tox21-ror-cho-viability-p1 set1 4 -0.46072274 1.97564818 1.35819403 0.78830402 1.1623378 4.62684692 0.00370863 0.70589865 -6.52040951 0.55051093 0.13029155 0.66222999 2.36586893 0.2238168 2.18423502 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 149-64-4 6852391 170465685 A Butylscopolamine bromide [Br-].OC[C@H](c1ccccc1)C(=O)O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N+]3(C)CCCC Tox21_112031_1 -NCGC00258554-01 196716059 tox21-ror-cho-viability-p1 set2 1.1 12.2716123211 130.8208265714 -1.970412635 128.8504139364 2.2526478767 0.9286098802 0.0000569045 0.13264307 1.07438838 -2.82148193 1.65066965 4.66874199 1.49216425 1.25681468 0.50312508 1.35881804 -4.74324 -2.41658216 4.01306413 119.30593883 115.90142971 111.62959691 1.1859999999E-9 2.6519999999E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001853 0.000041439999999 0.000092669999999 563-68-8 11247 144208199 A Thallium acetate [Tl+].[O-]C(C)=O Tox21_201001 -NCGC00258340-01 196716048 tox21-ror-cho-viability-p1 set2 4 2.30090997 6.08287594 2.98992452 1.42685571 0.69800636 -0.3654696 0.4112263 -0.12643051 3.58083318 -1.25110846 5.32191634 -0.5095764 3.38206625 -1.90784166 2.51456503 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004135 0.00009247 13114-72-2 25711 144207984 A A N'-Methyl-N,N-diphenylurea O=C(NC)N(c1ccccc1)c2ccccc2 Tox21_200786 -NCGC00258359-01 196716049 tox21-ror-cho-viability-p1 set2 4 4.71038659 4.94977727 4.35194848 2.38349939 2.03008137 4.6671786 2.14532167 3.177217 1.73795641 0.87721054 -0.27831872 3.49056694 2.4588666 2.15768436 0.98362636 1.2049999999E-9 2.694E-9 6.0249999999E-9 1.347E-8 3.012E-8 6.736E-8 1.506E-7 3.368E-7 7.5309999999E-7 0.0000016839999999 0.000003766 0.0000084199999999 0.000018829999999 0.0000421 0.000094139999999 610-15-1 11876 144208003 A A 2-Nitrobenzamide O=[N+]([O-])c1ccccc1C(N)=O Tox21_200805 -NCGC00258574-01 196716054 tox21-ror-cho-viability-p1 set2 4 1.29039899 1.73980991 1.54926731 0.42463841 1.5549761 4.13070004 0.35419526 3.96194152 0.95312868 -4.63443004 -0.47346323 -8.64630641 0.5150013 3.43901631 0.69594711 1.1989999999E-9 2.6819999999E-9 5.9959999999E-9 1.3409999999E-8 2.998E-8 6.704E-8 1.4989999999E-7 3.352E-7 7.495E-7 0.000001676 0.000003748 0.00000838 0.000018739999999 0.000041899999999 0.000093689999999 142-30-3 8883 144208219 A A 2,5-Dimethyl-3-hexyne-2,5-diol CC(O)(C)C#CC(C)(C)O Tox21_201021 -NCGC00258350-01 196716060 tox21-ror-cho-viability-p1 set2 4 1.50325052 0.27823153 0.15794345 1.11291719 1.88601342 -1.2937446 0.47379443 1.34853654 2.53887184 2.85387745 -0.02666788 2.80648952 1.13722961 -0.3195863 0.5146629 1.221E-9 2.7299999999E-9 6.104E-9 1.365E-8 3.052E-8 6.825E-8 1.526E-7 3.412E-7 7.6299999999E-7 0.0000017059999999 0.000003815 0.000008531 0.000019079999999 0.00004265 0.000095379999999 1476-11-5 6432115 144207994 FNS (2Z)-1,4-Dichlorobut-2-ene ClC\C=C/CCl Tox21_200796 -NCGC00258078-01 196716062 tox21-ror-cho-viability-p1 set2 4 3.9483004 3.97431535 0.90916836 1.49860055 3.08507613 3.71728983 1.21098285 -0.0875828 1.35103269 0.35659938 2.78392463 0.95791351 0.56655804 2.10409542 4.04428295 1.171E-9 2.617E-9 5.8529999999E-9 1.3089999999E-8 2.926E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.316E-7 0.0000016359999999 0.000003658 0.00000818 0.00001829 0.0000409 0.00009145 597-43-3 11701 144207722 A A 2,2-Dimethylbutanedioic acid CC(C)(CC(O)=O)C(=O)O Tox21_200524 -NCGC00254489-01 196714836 tox21-ror-cho-viability-p1 set2 -3 56.0250064492 -80.2095648403 0.0111050419 -80.1984597984 4.9549173134 0.993945045 0 0.11040285 -1.01205152 1.11166186 1.83806273 0.02666461 -0.92365363 1.8934532 0.27954111 0.17141271 -2.26005653 2.66794974 -0.66064011 -1.2219619 -5.64237645 -67.22099984 9.969E-10 2.229E-9 4.9839999999E-9 1.1149999999E-8 2.492E-8 5.573E-8 1.246E-7 2.786E-7 6.23E-7 0.000001393 0.000003115 0.000006966 0.00001558 0.00003483 0.000077879999999 50-55-5 5770 144210855 A A Reserpine COc1cc(cc(OC)c1OC)C(=O)O[C@@H]3C[C@@H]4CN5CCc2c6ccc(OC)cc6nc2[C@H]5C[C@@H]4[C@@H]([C@H]3OC)C(=O)OC Tox21_300537 -NCGC00254625-01 196714822 tox21-ror-cho-viability-p1 set2 4 -3.74657273 -14.43624049 -0.00743231 -0.15107509 -15.90625611 -18.37171195 -18.56270074 -12.86892036 -4.30943303 -17.32008943 -12.83093427 -19.38825158 -20.0605841 -3.24306663 -17.07960233 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7681-65-4 24350 144211036 Copper(I) iodide [Cu]I Tox21_300719 -NCGC00254767-01 196714827 tox21-ror-cho-viability-p1 set2 4 0.59996143 1.10094175 1.24458779 1.28001787 0.92691287 0.18225354 -0.30275232 0.91971729 4.80824101 1.92751152 1.09139223 0.50337802 5.85978582 0.35246738 0.38279131 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 31218-83-4 5372405 144211180 A A Propetamphos COP(=S)(NCC)OC(\C)=C\C(=O)OC(C)C Tox21_300863 -NCGC00254921-01 196714830 tox21-ror-cho-viability-p1 set2 4 0.94499249 0.47699954 -8.62105605 0.12045531 -2.64539736 -6.21016636 -0.95100242 -0.82130341 -3.92893512 -7.34091078 -7.28550649 -0.23523703 -4.24013647 -3.15801219 0.1386969 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 1117-86-8 14231 144211336 A A 1,2-Octanediol OCC(O)CCCCCC Tox21_301019 -NCGC00254277-01 196715234 tox21-ror-cho-viability-p1 set2 4 54.4826732819 13.4580424359 -2.4580424359 11 1.9673362061 0.4890999449 0.189478491 -5.8613565 -2.67466911 -0.51513107 0.51496674 -5.40065185 0.57636447 -6.37413904 -9.13170203 0.60835059 0.03004125 -1.33133122 -1.56773416 -1.65554306 2.54554527 7.58022423 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69-65-8 6251 144210801 A A D-Mannitol O[C@H]([C@H](O)CO)[C@H](O)[C@H](O)CO Tox21_300483 -NCGC00254378-01 196715235 tox21-ror-cho-viability-p1 set2 4 27.3060203028 -11.9365992679 1 -10.9365992679 4.9549173134 0.8943481326 0.0007729245 -0.20096987 0.85131743 1.13452383 0.05455487 1.06039152 -1.37065247 1.24723863 2.28133851 0.67438095 0.81952102 2.02416734 1.7004249 0.79447542 -10.78049939 0.61074406 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 445295-04-5 9955578 144210764 A A CP-671305 O=C(O)[C@@H](C)Oc4ccc(CNC(=O)c3cccnc3Oc1ccc2OCOc2c1)c(F)c4 Tox21_300446 -NCGC00255042-01 196715236 tox21-ror-cho-viability-p1 set2 -2.1 61.5037543138 -80.9557687616 -1.7993632039 -82.7551319655 3.2474983358 0.9562503104 0.0000040306 0.49448306 0.74139344 0.28683028 0.09624602 1.25369906 0.00557284 1.51247146 -0.35597134 -0.53454747 -6.3032649 -6.71317791 -6.73120441 -10.97245855 -16.3602285 -66.48116058 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 131807-57-3 213032 144211461 A A Famoxadone CC2(OC(=O)N(Nc1ccccc1)C2=O)c4ccc(Oc3ccccc3)cc4 Tox21_301144 -NCGC00162129-06 196698045 tox21-ror-cho-viability-p1 set1 4 0.00743008 -0.07020272 -4.59778835 -9.20793615 -1.66551004 -4.20196042 0.20069985 -1.72647816 -2.8324369 -3.4189808 0.755333 2.37217519 1.46202017 -1.83504881 -2.85942826 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35891-93-1 108173 170465114 A Tocainide hydrochloride Cl.O=C(Nc1c(C)cccc1C)C(C)N Tox21_110732_1 -NCGC00182059-03 196698438 tox21-ror-cho-viability-p1 set1 4 2.1131682429 7.722081888 -2.722081888 5 1.92824246 0.7117702156 0.0335055887 0.33347563 -0.02323387 -7.68506824 -2.24251535 -3.58947634 -5.49923444 -1.25161939 -1.87369509 -1.70224865 -3.00226382 1.57243741 2.6227027 4.52958281 5.83387576 4.09614661 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 144060-53-7 134018 170465220 A Febuxostat CC(C)COc1ccc(cc1C#N)c2nc(C)c(s2)C(=O)O Tox21_113004_1 -NCGC00090780-04 196698035 tox21-ror-cho-viability-p1 set1 4 0.1532894 0.83986685 0.05196128 1.19589892 0.26184837 -0.53392036 1.03211265 0.55934867 0.58912195 -0.71471825 -2.37049467 3.53013722 -1.74493611 -1.13297394 -0.14254609 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00015829-12 196698041 tox21-ror-cho-viability-p1 set1 4 0.4422482 2.87100658 1.81130125 0.49539191 5.59197164 -1.13462308 2.42811295 5.41086494 2.74440405 0.94791862 0.06535704 -1.05764091 1.09955782 1.64573634 -2.44923742 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53-60-1 5887 170464766 A Promazine hydrochloride Cl.CN(C)CCCN1c3ccccc3Sc2ccccc12 Tox21_110235_1 -NCGC00091650-03 196698441 tox21-ror-cho-viability-p1 set1 4 1.26903354 -6.37420856 1.07963966 -1.08813005 -6.27393219 2.89915772 2.36119071 -1.38965389 0.41192453 -6.30015077 -10.28402785 -0.74513889 -0.51426835 0.37208504 -5.10998149 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00241107-02 196698451 tox21-ror-cho-viability-p1 set1 -3 29.8492948118 -45.0087612419 -0.038463918 -45.0472251599 3.6772481694 0.9411869318 0.0000203462 0.7670515 0.66354693 -2.35327464 1.88979478 0.48115146 1.35869552 2.84528488 -2.09436727 2.59110606 -1.91965788 -2.7304381 1.11106341 -6.87810984 -9.29264692 -37.5393543 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 918639-10-8 46780884 170466788 A Bosutinib CO.COc4cc(Nc3c(C#N)cnc2cc(OCCCN1CCN(C)CC1)c(OC)cc23)c(Cl)cc4Cl Tox21_113600_1 -NCGC00254609-01 196698869 tox21-ror-cho-viability-p1 set1 4 13.6854287769 -10.274896576 -0.5 -10.774896576 2.3331733767 0.4757878522 0.2008065835 -7.86938768 2.2559531 0.19316485 1.06259767 0.30974786 1.84728243 2.45908885 -0.00168497 -9.10390711 0.07618095 0.45330736 1.59383417 -12.72908048 -8.40574289 -9.79372969 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27314-13-2 33775 144211018 A A Norflurazon FC(F)(F)c1cc(ccc1)N2N=CC(NC)=C(Cl)C2=O Tox21_300701 -NCGC00255068-01 196698873 tox21-ror-cho-viability-p1 set1 4 7.6958821542 -8.452684144 0 -8.452684144 4.9549173134 0.7230885944 0.028871256 1.51494577 -0.05742332 -6.02963566 0.81959112 1.20115771 -0.83570055 0.43718787 -0.00683044 1.69879647 1.71748541 0.80291116 -4.48222651 -12.46057012 -6.35809674 -7.1500212 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17804-35-2 28780 144211487 Fc Fns Benomyl O=C(OC)Nc2nc1ccccc1n2C(=O)NCCCC Tox21_301170 -NCGC00254565-01 196698877 tox21-ror-cho-viability-p1 set1 -3 68.5198756601 -40.9276906279 1 -39.9276906279 4.9549173134 0.9444305975 0.0000149941 -5.06257665 0.94906358 1.94354974 0.16317853 2.85460802 2.7578818 2.17123913 2.7105573 -0.02055741 0.76070849 1.56331881 -2.01803044 1.78698486 -2.02037092 -32.43974219 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 115-29-7 3224 144210974 F Endosulfan ClC2=C(Cl)C3(Cl)C1COS(=O)OCC1C2(Cl)C3(Cl)Cl Tox21_300657 -NCGC00255101-01 196699282 tox21-ror-cho-viability-p1 set1 4 48.5577336745 9.4229767239 -1.4229767239 8 3.1319983358 0.5298817948 0.1546150465 -0.43869206 -2.701922 0.75387911 -4.98853815 -7.01914727 -2.06288811 -1.57227032 -0.26482591 -2.08452402 -0.03208494 0.68532189 0.61038378 -2.06045534 1.97315777 6.746955 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-84-2 8017 144211521 FNS 2-Hydroxyethylhydrazine NNCCO Tox21_301204 -NCGC00254634-01 196699686 tox21-ror-cho-viability-p1 set1 4 -2.3242073 1.67170402 1.24009997 2.42069767 0.64499892 1.53310746 4.63240873 1.71317151 0.5953083 -0.15359918 -2.178978 0.46781305 -2.66072279 2.18969422 5.80296159 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1000-05-1 6328651 144211045 D 1,1,3,3,5,5,7,7-Octamethyltetrasiloxane C[SiH](C)O[Si](C)(C)O[Si](C)(C)O[SiH](C)C Tox21_300728 -NCGC00091080-03 196699689 tox21-ror-cho-viability-p1 set1 4 25.6484796742 -18.805684484 1 -17.805684484 4.9549173134 0.8731447265 0.0010347184 1.57364122 -1.18962166 3.97156243 -1.13965146 -0.55852458 -1.44491854 1.0508932 4.8772787 3.73457691 3.2957346 -1.56242851 -2.3355587 -0.79969438 -17.75473707 -16.24521719 1.1199999999E-9 2.5029999999E-9 5.5979999999E-9 1.2519999999E-8 2.799E-8 6.259E-8 1.399E-7 3.129E-7 6.9969999999E-7 0.0000015649999999 0.000003499 0.000007823 0.000017489999999 0.00003912 0.00008747 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00016345-08 196705085 tox21-ror-cho-viability-p1 set1 4 -2.77905654 0.9697035 -0.44992477 -2.12415864 -1.29267373 0.63907572 -1.17355686 -0.6889724 1.09829598 0.70244416 0.488585 -0.3835068 -1.06482259 3.96436034 5.1460639 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 90-33-5 5280567 170465819 A 4-Methylumbelliferone Oc1ccc2c(c1)OC(=O)C=C2C Tox21_110385_1 -NCGC00166312-02 196705075 tox21-ror-cho-viability-p1 set1 -3 29.8492948118 -35.196037232 -1 -36.196037232 4.9549173134 0.899912019 0.0003242526 0.26844138 -2.92883248 -0.87501742 1.10800451 0.08924968 -7.29098306 2.67483428 0.1201595 -3.49152416 2.68240062 -1.48534829 2.22386656 -4.18203523 -5.58940033 -32.66336436 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57808-65-8 42574 170466628 F Closantel Clc3cc(NC(=O)c1cc(I)cc(I)c1O)c(C)cc3C(C#N)c2ccc(Cl)cc2 Tox21_112408_1 -NCGC00091351-03 196705081 tox21-ror-cho-viability-p1 set1 4 -5.13486066 -3.27753601 -6.37734154 -0.77955901 0.77266154 -5.39331655 -2.78387119 -3.44236842 0.86198838 -2.64088072 -2.24983151 -1.42640508 0.73772241 1.85992848 2.9391439 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00015964-17 196705089 tox21-ror-cho-viability-p1 set1 4 -3.94899631 -6.34790438 -3.71419353 -6.63913965 -1.25124303 -2.20355882 -6.82614903 0.58749337 -3.81010042 -0.25955507 -0.99405152 -1.60001669 -1.39888788 0.410387 -5.28304113 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 749-02-0 5265 170465856 A Spiperone Fc1ccc(cc1)C(=O)CCCN2CCC4(CC2)C(=O)NCN4c3ccccc3 Tox21_110269_1 -NCGC00090702-02 196705090 tox21-ror-cho-viability-p1 set1 4 1.59445855 0.09244033 2.01783245 0.41275229 -1.28675072 -1.0060318 1.11881208 1.4319194 5.28853049 3.83049158 -2.73603691 0.75996836 1.65370194 0.57671709 2.99169458 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00182060-03 196705091 tox21-ror-cho-viability-p1 set1 4 -11.14288345 -9.36417206 -3.85965354 -7.10262703 -7.13546964 -5.81697172 -5.16221026 -8.33069323 -3.93089051 -9.00826022 -3.26320348 -5.70690964 -1.92265088 -4.49372894 -10.69329995 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16777-42-7 5489012 170465929 A l-Oxyfedrine hydrochloride Cl.COc1cc(ccc1)C(=O)CCN[C@@H](C)[C@H](O)c2ccccc2 Tox21_112976_1 -NCGC00018271-07 196705486 tox21-ror-cho-viability-p1 set1 4 26.6032120037 -11.877932496 0.5 -11.377932496 3.6772481694 0.5716202914 0.119540661 0.42292826 -1.47810778 0.91604177 -0.30588755 5.27129828 -0.19266296 -3.06841879 -2.34684783 0.14153519 1.39959591 5.4095669 -1.45989388 -0.34479216 -2.90269242 -9.89827708 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 848-53-3 3627 170465786 A Homochlorcyclizine Clc1ccc(cc1)C(c2ccccc2)N3CCCN(C)CC3 Tox21_110855_1 -NCGC00263839-02 196705489 tox21-ror-cho-viability-p1 set1 4 -0.58887291 0.13934654 1.73967375 -2.5860031 0.3777267 2.06008781 1.4422043 0.53348982 -1.05091206 2.22046361 -0.9479368 2.09804831 1.0741336 -0.88102051 6.74732636 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55870-64-9 60196308 170465779 F Pentisomicin N[C@@H]3CC=C(CN)O[C@@H]3O[C@H]2[C@@H](O)[C@@H](O[C@H]1OC[C@@](C)(O)[C@H](NC)[C@H]1O)[C@H](N)C[C@@H]2N Tox21_112770_1 -NCGC00260462-01 196724649 tox21-ror-cho-viability-p1 set3 4 0.011014595 12.771554424 -10.771554424 2 2.7202212143 0.6487379448 0.0766840059 -2.87812847 -15.64296202 -13.10703278 0.19187379 -0.5434803 1.4724937 3.99478912 -0.3619949 4.21599353 5.0062898 1.43605831 2.61572648 4.45169008 -3.69581318 -7.93612999 1.193E-9 2.667E-9 5.963E-9 1.333E-8 2.981E-8 6.6669999999E-8 1.491E-7 3.3329999999E-7 7.4539999999E-7 0.0000016669999999 0.0000037269999999 0.000008333 0.00001863 0.00004167 0.00009317 3764-01-0 77378 144210114 Z C 2,4,6-Trichloropyrimidine Clc1cc(Cl)nc(Cl)n1 Tox21_202916 -NCGC00357287-01 196724642 tox21-ror-cho-viability-p1 set3 4 0.216899429 -8.2972885959 0.5 -7.7972885959 4.9549173134 0.3809693869 0.3064205917 -5.40182083 0.35687166 2.15980575 -0.95149904 2.32686033 0.29197921 4.78196492 -12.56909262 -12.24641043 -13.58107383 -13.41980728 -7.52978537 2.89057841 0.74022443 4.21752175 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-75-0 24723 251919666 A Demeton-S CCOP(=O)(OCC)SCCSCC Tox21_303989 -NCGC00260645-01 196724644 tox21-ror-cho-viability-p1 set3 4 1.52955283 4.29411901 2.1169622 4.44944371 9.82269092 1.87906213 0.65625756 3.17608505 1.51468753 12.06190675 3.83723846 2.73975013 2.33743688 1.99929559 1.79793031 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49541 144210298 M M NTP Mix86 ER AR1 18-EQP Tox21_203100 -NCGC00090701-06 196724646 tox21-ror-cho-viability-p1 set3 4 -6.5354976 -1.64607267 0.17546847 -8.39974612 -8.34972411 -9.69423713 -10.04395364 0.90238001 -10.18205894 -9.8834232 -7.52878597 -7.57692204 0.03582861 -0.79901155 -0.08242221 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00357027-01 196724661 tox21-ror-cho-viability-p1 set3 4 0.7695882154 16.2866721599 -8.2866721599 8 0.2 0.3886628729 0.2839725622 -8.5722268 -4.24713588 1.12792428 -1.63907114 -4.6365446 -4.97469938 3.26986834 1.68268052 -5.19281052 -2.54754066 5.14611833 -0.21540749 3.7874183 -0.91251927 6.75562818 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67-71-0 6213 251919780 A Dimethyl sulfone CS(C)(=O)=O Tox21_303712 -NCGC00256745-01 196708347 tox21-ror-cho-viability-p1 set1 4 24.9067943445 23.180911404 -6.180911404 17 2.6384283767 0.4128352968 0.2593685043 -10.18497973 -8.43649932 2.27557816 1.50295268 -7.24256053 -6.69322586 -15.56742617 2.96018463 -4.21041881 -10.22975333 -15.49026236 -0.78932053 -5.68465072 0.56948875 11.86742131 5.073E-10 1.134E-9 2.536E-9 5.6719999999E-9 1.268E-8 2.8359999999E-8 6.341E-8 1.418E-7 3.17E-7 7.0889999999E-7 0.0000015849999999 0.000003545 0.000007926 0.00001772 0.00003963 2043-55-2 74887 144212901 1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodohexane FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)F Tox21_302584 -NCGC00257250-01 196707532 tox21-ror-cho-viability-p1 set1 4 54.4826732819 8.9633398039 -7.9633398039 1 4.5044702849 0.3775701564 0.2962771062 -10.26508578 -5.33168749 -5.39233497 -5.55724677 -3.1927083 -10.5302685 -7.71764143 -6.87248139 -10.95607909 -5.86714149 -13.30278317 -8.03797908 -7.71809848 -5.97989115 0.09555238 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21245-02-3 30541 144213879 A A 2-Ethylhexyl 4-(dimethylamino)benzoate CN(C)c1ccc(cc1)C(=O)OCC(CC)CCCC Tox21_303574 -NCGC00256530-01 196707949 tox21-ror-cho-viability-p1 set1 4 4.93975059 2.99961762 -2.74280873 1.71056147 1.35019665 2.30316405 1.27943931 1.47388083 5.06853442 0.78455634 1.13430107 2.22174935 0.629809 4.39068984 7.60720327 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 62-56-6 2723790 144213084 A Thiourea NC(N)=S Tox21_302767 -NCGC00257487-01 196708345 tox21-ror-cho-viability-p1 set1 4 0.26299325 1.52629843 0.60757422 -0.9354455 1.02708154 4.20397196 4.13409148 -1.16047189 -7.51928994 1.18881034 1.59041995 -0.1275357 -2.07767384 2.30944865 2.0381704 1.074E-9 2.401E-9 5.368E-9 1.2E-8 2.6839999999E-8 6.0009999999E-8 1.342E-7 3.0009999999E-7 6.71E-7 0.0000015 0.0000033549999999 0.0000075019999999 0.00001677 0.00003751 0.00008387 15708-41-5 27461 144213753 A A Ethylenediaminetetraacetic acid ferric sodium salt [Fe+3].[Na+].[O-]C(=O)CN(CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O Tox21_303443 -NCGC00256729-01 196708351 tox21-ror-cho-viability-p1 set1 4 0.0037578036 -11.06727872 0 -11.06727872 4.9549173134 0.489619119 0.1878957389 -1.60855461 1.58568805 -1.45301618 -16.13282287 -17.5560656 -13.1810128 -6.94008878 -7.84723186 -8.86563034 -2.95113422 -16.28172231 -11.32071782 -4.19944441 -14.10799032 -12.79333763 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 8008-45-5 144212971 M M Nutmeg oil Tox21_302654 -NCGC00256857-01 196708358 tox21-ror-cho-viability-p1 set1 4 0.59978878 -0.12444203 0.44081306 2.53099257 2.14549908 1.08274477 4.46480176 3.38685202 -0.18683555 2.85507184 0.62230711 1.11028491 5.42842223 1.27235825 4.62767967 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13481-87-3 61631 144212876 A F Methyl 3-nonenoate O=C(CC=CCCCCC)OC Tox21_302559 -NCGC00257362-01 196708366 tox21-ror-cho-viability-p1 set1 4 3.89707217 2.65261326 -0.12905537 -0.42921391 3.92915083 1.83878198 3.97294027 3.28648729 0.08933565 0.52459646 3.6789446 10.81045891 6.07769702 3.05014921 5.5799558 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-03-2 12301 144213696 A Ethoxyacetic acid O=C(O)COCC Tox21_303384 -NCGC00259987-01 196705877 tox21-ror-cho-viability-p1 set1 4 61.4415298105 -21.498929804 1 -20.498929804 1.4487170999 0.4174245724 0.2553221337 5.30182297 4.64524857 -8.70375113 3.73776666 -2.52127578 -3.65423192 -0.36663884 0.22943678 3.67907915 11.53643304 0.2399558 -0.77059757 -5.2432004 -3.77323471 -13.74910817 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.625E-8 1.481E-7 3.3129999999E-7 7.407E-7 0.000001656 0.000003704 0.000008281 0.00001852 0.000041409999999 0.000092589999999 1836-75-5 15787 144209636 A A Nitrofen Clc2cc(Cl)ccc2Oc1ccc(cc1)[N+]([O-])=O Tox21_202438 -NCGC00091602-02 196705464 tox21-ror-cho-viability-p1 set1 4 67.7534495245 -14.8254036799 0 -14.8254036799 3.2974983358 0.6850086809 0.0459334291 3.94208822 1.42924179 -1.40704377 1.57676599 -0.34388521 -4.11659607 0.06890205 0.77982164 0.91903889 -0.31112006 0.06978228 -2.98803334 -0.56362523 -2.36220826 -10.6878364 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00015675-08 196705466 tox21-ror-cho-viability-p1 set1 4 3.25224984 0.96581452 1.72117315 -0.4760627 1.37730541 2.28100098 -0.23696178 2.09849856 -0.72210633 -0.25714834 -0.93579556 2.29868175 -0.99979998 -1.2292946 -0.52533497 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00263571-01 196705480 tox21-ror-cho-viability-p1 set1 4 -0.4387617 5.05499293 2.0131773 -0.16638259 0.456659 -12.96153926 2.04333274 5.25568748 0.1593667 5.45573644 -0.44779919 0.74487709 1.47323123 0.54622833 0.89304335 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23255-99-4 23662369 170465952 A Bendazac sodium [Na+].[O-]C(=O)COc3nn(Cc1ccccc1)c2ccccc23 Tox21_112465_1 -NCGC00259248-01 196705878 tox21-ror-cho-viability-p1 set1 4 4.90504324 -1.92092532 2.29824672 4.74894921 -0.68991739 2.79257546 3.80833126 1.95490108 1.15171283 18.21197303 0.34238206 1.60238657 -0.0175713 -1.38099139 -1.65693898 1.188E-9 2.657E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.641E-8 1.4849999999E-7 3.321E-7 7.425E-7 0.0000016599999999 0.000003713 0.000008302 0.00001856 0.000041509999999 0.00009282 629-76-5 12397 144208897 A Ac 1-Pentadecanol CCCCCCCCCCCCCCCO Tox21_201699 -NCGC00259530-01 196705891 tox21-ror-cho-viability-p1 set1 -2.1 60.9441122888 -90.7658637055 1.1729567939 -89.5929069116 3.6272481694 0.9647705589 0.0000012032 5.84041972 0.95695424 0.85787364 -2.57202349 0.72313942 -3.6124031 -3.72781597 0.11128279 4.81099521 10.09398743 2.59942868 -0.55997004 -2.98013131 -15.82483093 -73.17644463 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.0000016459999999 0.00000368 0.000008228 0.000018399999999 0.000041139999999 0.000091989999999 79-94-7 6618 144209179 A A 3,3',5,5'-Tetrabromobisphenol A Brc1cc(cc(Br)c1O)C(C)(C)c2cc(Br)c(O)c(Br)c2 Tox21_201981 -NCGC00091666-04 196716898 tox21-ror-cho-viability-p1 set2 4 3.15261031 0.98212967 -1.58873212 4.02652602 5.2685428 6.42546516 6.4869321 3.86330718 4.19166281 1.62430873 -0.90720788 0.23628571 1.48109809 3.342625 0.86744247 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 470-82-6 2758 170465483 F 1,8-Cineol CC2(C)OC1(C)CCC2CC1 Tox21_111161_1 -NCGC00258292-01 196716497 tox21-ror-cho-viability-p1 set2 4 1.62451842 3.76582139 1.71985357 0.86044433 -0.42892969 -0.617353 -2.47750029 -0.11224149 -2.08553885 -1.2117066 0.81626515 2.20060351 0.96464753 0.14316318 1.55796598 1.1509999999E-9 2.5739999999E-9 5.7549999999E-9 1.2869999999E-8 2.877E-8 6.4339999999E-8 1.4389999999E-7 3.217E-7 7.194E-7 0.000001609 0.0000035969999999 0.0000080429999999 0.00001798 0.000040209999999 0.000089919999999 2210-25-5 16637 144207936 A A N-Isopropylacrylamide CC(C)NC(=O)C=C Tox21_200738 -NCGC00258093-01 196716500 tox21-ror-cho-viability-p1 set2 4 21.5356316628 -23.5090819399 3 -20.5090819399 1.8079476909 0.9453365434 0.0000137477 1.85777981 4.58117916 2.69068985 2.96718472 5.39014665 5.42871348 2.70655291 0.03740317 2.3639751 0.15245202 2.15368021 1.28275722 -8.98467752 -13.46792876 -19.17423495 1.173E-9 2.6229999999E-9 5.865E-9 1.311E-8 2.9319999999E-8 6.557E-8 1.466E-7 3.2779999999E-7 7.3309999999E-7 0.0000016389999999 0.000003665 0.0000081959999999 0.00001833 0.00004098 0.00009164 10161-33-8 25015 144207737 A A 17beta-Trenbolone O=C3C=C4CC[C@@H]1C(C=C[C@]2(C)[C@@H](O)CC[C@@H]12)=C4CC3 Tox21_200539 -NCGC00258280-01 196716501 tox21-ror-cho-viability-p1 set2 4 1.47333964 0.97607051 1.13986213 -5.99456034 2.71028612 5.12653285 1.10009733 0.9559387 -3.70258228 -0.33603238 1.91465916 1.03988512 0.2865674 -0.15405447 1.45925191 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 96-50-4 2155 144207924 A A 2-Aminothiazole Nc1nccs1 Tox21_200726 -NCGC00182063-03 196713606 tox21-ror-cho-viability-p1 set2 4 13.3331902297 -14.118866264 2.5 -11.618866264 2.2526478767 0.8698131933 0.0019507033 2.39897775 2.39117545 2.64631969 3.1900045 4.25038932 1.62402857 4.13177398 2.07844051 3.49471223 0.05571972 2.79406372 -0.08607876 -0.94078 -8.84905522 3.50209165 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64241-34-5 2515 170466021 C Cadralazine O=C(OCC)NNc1ccc(nn1)N(CC(C)O)CC Tox21_113146_1 -NCGC00271789-02 196713186 tox21-ror-cho-viability-p1 set2 -1.1 0.1496008549 -82.2931698828 6 -76.2931698828 1.9673362061 0.9978392557 0 9.55145487 5.53719209 5.14329087 3.0965623 4.15206966 3.02578937 -8.85821753 -41.96069842 -64.39188921 -73.39584652 -74.43577211 -77.58626841 -75.20849763 -77.41460225 -73.88647816 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-76-0 457193 170464668 A Actinomycin D CC(C)[C@H]6NC(=O)[C@@H](NC(=O)c1ccc(C)c2OC3=C(C)C(=O)C(N)=C(C3=Nc12)C(=O)N[C@@H]5C(=O)N[C@@H](C(=O)N4CCC[C@H]4C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]5C)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]7CCCN7C6=O Tox21_111997_1 -NCGC00159533-02 196713187 tox21-ror-cho-viability-p1 set2 4 3.66527961 2.6057697 2.35901238 1.50084674 2.67422396 2.6118695 1.09032614 0.21757378 1.82597405 0.30147882 2.42782141 2.37452158 2.22958217 4.65424452 1.20267411 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98206-09-8 3025067 170466607 A Eltoprazine hydrochloride Cl.c1cc(c2OCCOc2c1)N3CCNCC3 Tox21_111742_1 -NCGC00015623-10 196713199 tox21-ror-cho-viability-p1 set2 4 8.06294899 5.76623506 7.91791327 3.04268998 3.32178166 2.42265325 0.97686196 0.18290035 7.28876168 1.50318191 0.24326019 3.96710811 1.40131576 2.46624828 7.97474834 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6620-60-6 4922 170465774 A Proglumide O=C(NC(CCC(=O)O)C(=O)N(CCC)CCC)c1ccccc1 Tox21_110557_1 -NCGC00254717-01 196714012 tox21-ror-cho-viability-p1 set2 4 0.99648526 -0.07557326 0.17235597 0.17220844 0.21344523 4.16187314 1.27374299 -0.29376712 1.39179321 3.49542514 -0.36861006 3.36689327 5.91145198 3.24884294 9.5361829 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 102-79-4 7620 144211130 A A N-Butyldiethanolamine OCCN(CCCC)CCO Tox21_300813 -NCGC00254208-01 196714017 tox21-ror-cho-viability-p1 set2 4 0.36583902 -2.2305526 0.18855507 -1.64662342 -3.08887529 -0.23118404 -1.81733406 -1.38439717 -4.11606283 -1.32764557 -1.48328491 2.92350055 1.68973059 0.31505504 4.82507887 1.1689999999E-9 2.6129999999E-9 5.843E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.461E-7 3.2659999999E-7 7.3029999999E-7 0.0000016329999999 0.000003652 0.0000081649999999 0.00001826 0.000040829999999 0.00009129 221246-12-4 23674746 144210524 A A Fandosentan potassium salt [K+].FC(F)(F)c5ccccc5N2C(=C(c1ccccc1S2(=O)=O)c3cc(CC)c4OCOc4c3)C([O-])=O Tox21_300204 -NCGC00253952-01 196714019 tox21-ror-cho-viability-p1 set2 4 -1.4472336 -4.13850195 0.39197113 -3.46038266 -2.66289316 -1.76043479 -6.02667415 -1.06851054 -3.0964538 2.54579155 0.61674076 -6.11681637 -7.15810769 -3.66605568 2.2743437 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-80-9 289 144210473 Z Catechol Oc1ccccc1O Tox21_300153 -NCGC00255063-01 196714027 tox21-ror-cho-viability-p1 set2 4 0.00313034 2.54501965 0.40141109 -0.26253637 0.67035186 0.38343179 1.10235287 -0.10180985 0.30838762 -3.47253536 0.61954889 6.05389397 5.31455942 0.36014721 1.98447813 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-20-1 61007 144211482 A A 4-(4-Methoxyphenyl)-2-butanone COc1ccc(CCC(C)=O)cc1 Tox21_301165 -NCGC00254421-01 196714433 tox21-ror-cho-viability-p1 set2 4 -0.65558396 0.66905144 1.53757889 1.73474979 -0.27292716 1.30295595 3.43088107 2.27891374 0.92531065 3.0723481 1.55737441 5.8656798 4.7386627 1.56731224 5.49391651 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47292 10198808 144210774 A A PD 0200347 Cl.NCC1(CCCCC1)CC=2NC(=O)ON=2 Tox21_300456 -NCGC00254109-01 196699720 tox21-ror-cho-viability-p1 set1 4 9.6491439647 4.4270945319 -0.4270945319 4 3.0654483358 0.430294223 0.2478015562 0.12520897 -0.27319554 -1.60591211 0.35621599 -0.64518884 -1.50604744 1.01973058 0.13932047 1.45850893 -0.71647469 -0.02407053 -1.08808764 9.02802962 1.43426521 2.69760819 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004107 0.00009184 851916-42-2 60196412 144210583 A A MK-812 CO[C@@H]4COCC[C@@H]4[NH2+][C@H]1C[C@](CC1)(C(=O)N2Cc3cc(cnc3CC2)C(F)(F)F)C(C)C.[O-]C(=O)CCC(=O)O Tox21_300263 -NCGC00091532-04 196700954 tox21-ror-cho-viability-p1 set1 -1.2 17.4393986943 -37.7248703768 -2.50583642 -40.2307067968 1.4641 0.8900833863 0.0005144489 1.90310282 -1.28145788 0.11152515 -4.80535412 0.67249051 -7.20295033 -10.80015737 3.51994996 0.4763684 -10.10173026 -4.41686892 -9.51212764 -24.61916695 -31.82032708 -36.53841424 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00255171-01 196701348 tox21-ror-cho-viability-p1 set1 -2.2 61.130564862 -53.8062092985 -2.5379060119 -56.3441153104 2.7867712143 0.9010759499 0.0003052273 -2.17608221 2.3153364 1.74553305 -1.85218007 -1.91463962 0.35783616 -7.15283977 -4.86737356 -11.0423284 -5.91529293 -2.36147601 0.86234266 -5.7022182 -16.44534654 -43.06372372 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79794-75-5 3957 144211849 A A Loratadine Clc3cc4CCc1cccnc1C(=C2/CCN(CC2)C(=O)OCC)\c4cc3 Tox21_301532 -NCGC00254312-01 196699731 tox21-ror-cho-viability-p1 set1 4 -2.40451183 1.23676242 -2.28550376 -0.33252947 -2.76181205 0.79814966 1.43325342 -0.32129331 1.13686716 -4.5693364 -1.38684755 -3.14916509 -2.98756622 -3.25801271 -6.01681247 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2043-57-4 74888 144210926 1H,1H,2H,2H-Perfluorooctyl iodide FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300609 -NCGC00254826-01 196699729 tox21-ror-cho-viability-p1 set1 4 0.1219715124 10.647572204 -12.555055268 -1.907483064 1.0999999999 0.9088692877 0.0002044972 -10.10399219 -13.79587939 -12.2589426 -12.5646537 -12.69537503 -9.12469442 -4.59621721 -4.52310063 -4.81170589 -2.59462227 -4.7394837 -2.1933603 -1.63821818 -1.67881051 -0.33956922 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2593-15-9 17432 144211241 A A Etridiazole ClC(Cl)(Cl)c1nc(OCC)sn1 Tox21_300924 -NCGC00254732-01 196699730 tox21-ror-cho-viability-p1 set1 4 1.17397895 3.86981463 1.93410185 -2.78923449 2.48630446 -0.7810096 3.94226264 0.2373317 1.90634675 0.69774365 0.40285019 1.27333236 1.40232923 3.45989673 2.353216 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98967-40-9 91759 144211145 A A Flumetsulam Fc3cccc(F)c3NS(=O)(=O)c1nc2nc(C)ccn2n1 Tox21_300828 -NCGC00255049-01 196699734 tox21-ror-cho-viability-p1 set1 4 1.74848432 2.41890705 2.57085705 0.78591022 1.15960053 0.3561071 0.415415 -8.26723563 0.23752567 1.86331078 0.21516804 0.7785326 2.64170592 1.74452715 0.69941936 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-47-1 7020 144211468 A A Xanthone O=C1c3ccccc3Oc2ccccc12 Tox21_301151 -NCGC00255436-01 196700130 tox21-ror-cho-viability-p1 set1 4 0.5442727188 5.131411948 -4.631411948 0.5 2.0478617061 0.425987626 0.2489511004 -4.27578194 -6.31234595 -4.45743967 -4.06031844 -3.95086124 -2.12691979 -7.19284329 -1.64861833 -1.82152462 -1.58767543 5.89449895 -1.83710914 -4.82925693 -0.01261034 5.39529458 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 145-13-1 8955 144212458 A A Pregnenolone CC(=O)[C@H]4CC[C@@H]3[C@]4(C)CC[C@H]2[C@H]3CC=C1C[C@@H](O)CC[C@@]12C Tox21_302141 -NCGC00090986-03 196700146 tox21-ror-cho-viability-p1 set1 -2.2 54.8152787309 -53.1284988989 -2.397228501 -55.5257273999 1.0999999999 0.7930474999 0.0091555834 1.28049815 0.43540555 -0.63457836 0.79213025 1.90734001 -7.64477904 0.46640943 0.57460857 -7.82985912 -12.90732485 -13.06718811 -10.5802832 -8.47699972 -19.10119659 -42.064945 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00255190-01 196700149 tox21-ror-cho-viability-p1 set1 4 0.273060203 -13.294850172 -1.5 -14.794850172 0.6 0.3983208019 0.2899174123 -5.96245924 0.09071767 6.92829639 -12.41495195 -4.07471482 -2.89910507 -15.18842873 -1.44429831 -10.23134138 -7.05331229 -15.14686572 -18.57904181 -15.51182193 -8.9147431 -3.62271623 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 64628-44-0 47445 144212191 A A Triflumuron O=C(NC(=O)Nc1ccc(OC(F)(F)F)cc1)c2ccccc2Cl Tox21_301874 -NCGC00255608-01 196700550 tox21-ror-cho-viability-p1 set1 4 -4.17661061 -3.41394266 -5.00405553 -1.34268502 -1.18087583 -3.59677504 -2.87229376 -4.07891876 -1.77917951 -1.27083173 -1.71738606 -3.53160656 -2.32302802 1.54189171 -3.96022659 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67564-91-4 93365 144211888 A Fc (2R,6S)-Fenpropimorph C[C@H]2CN(CC(C)Cc1ccc(cc1)C(C)(C)C)C[C@@H](C)O2 Tox21_301571 -NCGC00256742-01 196707158 tox21-ror-cho-viability-p1 set1 4 10.8707224818 10.5109056999 -8.5109056999 2 2.3331733767 0.3543330461 0.3157806414 -8.86011678 -9.31062893 -8.50071143 1.97807772 -14.17575475 -12.71993249 -10.4316954 2.00250821 -13.11997845 -13.03081106 -2.37858578 -9.16119918 2.47487057 1.77308296 0.36871162 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47726 16666638 144212856 A A trans-2-Ethoxy-5-(1-propenyl)phenol CCOc1ccc(cc1O)/C=C\C Tox21_302539 -NCGC00259942-01 196706752 tox21-ror-cho-viability-p1 set1 4 -1.35235227 2.44231043 -0.28405966 6.56841577 1.60614312 2.44312868 1.69720224 0.06132315 -0.20408433 0 -0.39870845 3.34110693 2.4507994 -0.91860786 3.03554174 1.1919999999E-9 2.6659999999E-9 5.9609999999E-9 1.333E-8 2.981E-8 6.6649999999E-8 1.49E-7 3.332E-7 7.451E-7 0.0000016659999999 0.000003726 0.0000083309999999 0.00001863 0.000041649999999 0.000093139999999 88-72-2 6944 144209591 A A 2-Nitrotoluene Cc1ccccc1[N+](=O)[O-] Tox21_202393 -NCGC00256528-01 196707151 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -19.719238752 0.5 -19.219238752 4.9549173134 0.6279250106 0.0781465065 -4.38996184 0.71435386 -1.73147811 1.46723704 4.32881441 2.55320159 -3.11116872 4.68985313 0.39235612 -4.4924968 0.18808125 4.04206795 1.02344198 3.36836371 -15.18269896 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 136-40-3 8691 144213055 A A Phenazopyridine hydrochloride Cl.Nc2nc(N)ccc2/N=N/c1ccccc1 Tox21_302738 -NCGC00256872-01 196707163 tox21-ror-cho-viability-p1 set1 4 0.58980764 1.07362281 -0.99846722 1.64391178 -1.16413536 2.06343684 -0.84039887 1.04397777 1.7656394 2.27169132 -1.35802337 -1.53278327 1.65403213 0.60080134 2.45141267 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-65-3 8405 144212820 A Fns Isoquinoline c1cccc2ccncc12 Tox21_302503 -NCGC00163735-04 196707171 tox21-ror-cho-viability-p1 set1 4 -0.71210261 -0.3035703 -0.8363861 -2.18664539 1.92063744 2.30343935 -2.98013771 0.34357734 -0.43768097 -3.73581759 0.49380233 2.41524038 -2.7246964 -3.47253107 -3.01939419 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00255852-01 196728403 tox21-ror-cho-viability-p1 set3 -1.1 2.972375861 -81.8803818153 0.8292271739 -81.0511546414 1.21 0.9974782896 0 0.4288977 2.69887537 -2.20765333 -0.56984891 -0.09260958 0.57828446 2.52284087 -3.16649333 -9.72806012 -23.02767672 -41.93197666 -59.21671688 -71.80115201 -75.1734616 -79.00885289 9.497E-10 2.124E-9 4.748E-9 1.0619999999E-8 2.374E-8 5.3089999999E-8 1.187E-7 2.654E-7 5.935E-7 0.000001327 0.000002968 0.000006636 0.000014839999999 0.00003318 0.000074189999999 76-60-8 6451 144212422 A Bromcresol green Brc1cc(c(C)c(Br)c1O)C3(OS(=O)(=O)c2ccccc23)c4cc(Br)c(O)c(Br)c4C Tox21_302105 -NCGC00255883-01 196727979 tox21-ror-cho-viability-p1 set3 4 1.24951219 0.79762798 -0.12132169 6.12748218 0.0702572 5.00450498 3.52150025 1.11685254 2.413027 1.47740022 1.29016599 3.54828458 2.02731573 3.47430361 1.86965116 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4849-32-5 312440 144212065 A A Karbutilate O=C(Oc1cccc(c1)NC(=O)N(C)C)NC(C)(C)C Tox21_301748 -NCGC00255922-01 196727983 tox21-ror-cho-viability-p1 set3 4 0.086349218 4.7826460439 -1.7826460439 3 4.9549173134 0.5310235109 0.1695499022 1.12373898 -3.98553837 -0.16626412 -3.19109555 -1.51283763 -3.86663218 8.10970824 0.51845913 1.14920327 1.93017147 4.54115322 3.94368219 3.31179842 1.90053125 -2.1737892 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1132-61-2 70807 144212463 Ac 4-Morpholinepropanesulfonic acid O=S(=O)(O)CCCN1CCOCC1 Tox21_302146 -NCGC00256218-01 196728395 tox21-ror-cho-viability-p1 set3 -3 6.8589621897 -115.8587232989 -0.6460284139 -116.5047517128 4.9549173134 0.9687609662 0.0000173524 -0.91348278 2.28643278 -1.75275889 -4.36237626 2.51664422 2.14291194 -6.28505173 -3.53305603 -5.93583688 2.04321242 3.1991086 -88.26117554 -22.86062688 40.90033011 -24.16312146 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 40220-08-4 170286 144212047 B B (2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)triethane-2,1-diyl trisprop-2-enoate C=CC(=O)OCCN1C(=O)N(CCOC(=O)C=C)C(=O)N(CCOC(=O)C=C)C1=O Tox21_301730 -NCGC00257552-01 196728409 tox21-ror-cho-viability-p1 set3 -3 76.9588215421 -60.8263836475 4.9800237355 -55.846359912 4.9549173134 0.6528833356 0.0621984354 -2.12251166 -4.40735898 -2.79268917 -0.02501821 4.51570878 8.36471182 2.63063945 6.53892715 -3.34545529 -1.18515116 0.56482159 16.76915255 18.0508376 23.86089203 -46.53863326 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 929-73-7 458426 144212019 A A Dodecylamine hydrochloride Cl.CCCCCCCCCCCCN Tox21_301702 -NCGC00255573-01 196728417 tox21-ror-cho-viability-p1 set3 4 0.3857077887 -6.839275232 3.5 -3.339275232 1.9673362061 0.4601359387 0.2155705066 -1.97329179 4.80825495 4.89656665 4.43590168 -2.66920036 7.4330544 8.48765063 -2.09257034 -3.24827509 2.25920613 -4.80372666 -3.01731554 -6.53272936 -4.85706327 -1.96481664 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2312-73-4 16834 144211930 A A N-Benzyl-9-(tetrahydro-2H-pyran-2-yl)adenine n3cn(C1CCCCO1)c4ncnc(NCc2ccccc2)c34 Tox21_301613 -NCGC00255425-01 196728418 tox21-ror-cho-viability-p1 set3 4 0 -4.70461999 -7.22732008 1.62723261 -7.37691984 -5.7088809 8.30283967 -8.76714028 -6.78013526 6.1108134 -7.09297591 -10.66945456 -11.54199567 4.02137161 -10.51964358 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68-96-2 6238 144211847 A A 17alpha-Hydroxyprogesterone CC(=O)[C@@]3(O)CC[C@H]2[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_301530 -NCGC00259011-01 196709607 tox21-ror-cho-viability-p1 set2 4 -0.82844653 2.34864494 1.74620911 0.67763276 3.1662565 3.90425223 1.49612456 2.29652785 0.39392394 1.87167074 3.77821866 4.59817142 4.84866248 5.75763382 7.11698003 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004135 0.00009247 90-04-0 7000 144208658 A Bc 2-Anisidine Nc1ccccc1OC Tox21_201460 -NCGC00259059-01 196709613 tox21-ror-cho-viability-p1 set2 4 1.16349814 1.33075738 4.72552114 2.36469202 2.39097948 3.50751715 2.42506204 4.07935287 5.1831558 2.54347237 1.84111021 1.89085873 0 4.0477502 1.56244755 1.216E-9 2.719E-9 6.079E-9 1.359E-8 3.0389999999E-8 6.796E-8 1.5199999999E-7 3.3979999999E-7 7.599E-7 0.000001699 0.000003799 0.0000084949999999 0.000018999999999 0.000042479999999 0.00009498 614-00-6 11957 144208706 AC D Nitrosomethylaniline O=NN(C)c1ccccc1 Tox21_201508 -NCGC00255353-01 196710010 tox21-ror-cho-viability-p1 set2 4 43.2771256911 -10.50792538 0 -10.50792538 2.7202212143 0.7700449494 0.0144269339 0.89029056 -1.3964564 -0.27066153 1.92075344 0.20009337 -1.85665257 -1.08235775 1.0378502 -2.83616138 2.0885463 1.72287393 0.46707348 0.50198005 -5.71019136 -9.17327115 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69045-83-6 94647 144212061 A Ac 2,3-Dichloro-5-(trichloromethyl)pyridine Clc1cc(cnc1Cl)C(Cl)(Cl)Cl Tox21_301744 -NCGC00090965-04 196710423 tox21-ror-cho-viability-p1 set2 4 61.130564862 -15.334896864 -0.5 -15.834896864 1.9673362061 0.766665289 0.0152098515 0.17591087 2.0092487 1.64917161 -0.52381184 -2.49041139 -1.64185722 0.17362414 2.0419587 -0.36586742 -2.53535712 -3.00372242 -0.36457088 -3.10641711 -4.11229003 -11.52908072 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00255777-01 196710431 tox21-ror-cho-viability-p1 set2 4 -2.21615819 -4.40567161 -1.69106179 -3.40706695 -0.90243912 -5.43676788 -4.94403567 -3.19871703 -5.28464478 -0.65656015 2.27988571 -3.90547425 0.24548391 -6.97228852 -11.42281632 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-81-9 61059 144212562 F Ac Ethane-1,2-diyl bis(sulfanylacetate) O=C(OCCOC(=O)CS)CS Tox21_302245 -NCGC00255572-01 196710446 tox21-ror-cho-viability-p1 set2 4 1.79137135 0.72378136 0.69195151 0.39161246 2.6715134 2.80354191 0.37812857 0.8756665 -0.65854125 0.13266656 0.57809764 1.98055218 2.40877307 -0.91204286 0.68133207 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-31-4 2735107 144211644 A Sodium octyl sulfate [Na+].[O-]S(=O)(=O)OCCCCCCCC Tox21_301327 -NCGC00257075-01 196707140 tox21-ror-cho-viability-p1 set1 -2.4 38.5707788719 -35.346380912 -1.5 -36.846380912 0.7999999999 0.7338338869 0.0246733515 -1.65534182 -0.27329989 -7.12997809 -1.65747715 0.02085119 1.67565308 0.96298179 0.71681745 -0.40227388 -10.76185002 -16.62504994 -5.53274019 -6.76066923 -20.26029515 -29.03865076 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 83-26-1 6732 144213634 A Fc Pindone CC(C)(C)C(=O)C2C(=O)c1ccccc1C2=O Tox21_303317 -NCGC00257107-01 196707122 tox21-ror-cho-viability-p1 set1 -2.2 48.5577336745 -47.5047985989 4.210607881 -43.2941907179 3.5117481694 0.8870471623 0.0005879003 1.88204344 2.49248034 5.05335379 0.08026329 0.30748591 5.14347187 2.40840686 16.85833698 8.17601532 1.16989002 1.50200197 4.90138976 3.73392203 -12.18139518 -38.9295054 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25152-84-5 5283349 144213482 F Fns (E,E)-2,4-Decadienal CCCCC\C=C\C=C\C=O Tox21_303165 -NCGC00256915-01 196707130 tox21-ror-cho-viability-p1 set1 4 0.53042903 0.87493465 3.23645473 0.35542498 3.98960991 2.31901297 -2.18074479 -3.29980768 1.89072053 -1.21772441 0.38188 4.48333535 -0.00475793 5.54350242 7.50511634 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 0.000091709999999 99-49-0 7439 144212864 A F dl-Carvone CC1=CCC(CC1=O)C(C)=C Tox21_302547 -NCGC00257285-01 196707136 tox21-ror-cho-viability-p1 set1 4 0.0172289341 -6.776449316 -5.334473792 -12.110923108 4.9549173134 0.3636879119 0.3236979663 -4.38196446 -8.40614858 -5.40274427 -4.02872816 -18.0435573 -11.05648802 -12.17604569 -13.17089963 -7.69406324 -19.25910259 -5.0669659 -10.46518561 -9.58114333 -14.29017509 -1.50796521 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24549-06-2 32485 144213857 A Fc 2-Ethyl-6-methylaniline CCc1cccc(C)c1N Tox21_303552 -NCGC00164127-03 196707964 tox21-ror-cho-viability-p1 set1 -2.2 61.130564862 -51.069504853 -10.804827481 -61.874332334 2.4063783767 0.8185160095 0.0052554549 -7.93876304 -5.8274095 -14.8393581 -6.88624641 -9.45427522 -10.12933023 -18.78772481 -13.24940514 -5.49238226 -20.40134364 -9.46540598 -14.56679771 -7.92476762 -27.25401573 -47.63206995 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00256490-01 196707970 tox21-ror-cho-viability-p1 set1 -1.2 1.3685428777 -33.1001286067 -0.5 -33.6001286067 2.8472712143 0.9620087059 0.0000018382 1.04733701 -0.6886809 -0.57950101 -5.27851179 -0.60524419 -0.09375426 1.64910669 1.09375186 -8.59733021 -18.72084449 -35.69374654 -37.84326334 -35.87393464 -31.70325843 -27.38025446 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93957-54-1 446155 144213082 A A Fluvastatin O=C(O)C[C@H](O)C[C@H](O)/C=C/c2c(c1ccccc1n2C(C)C)c3ccc(F)cc3 Tox21_302765 -NCGC00253968-01 196719843 tox21-ror-cho-viability-p1 set3 4 -3.321986 -7.3827147 1.44631046 -6.08387201 0.16785792 0.32272926 3.45043853 -6.8630231 -6.50249866 -7.25742722 -1.74585169 3.79376357 -5.04099047 -6.06345539 -6.16359256 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-54-4 7762 144210385 FNS Ethyl butyrate CCCC(=O)OCC Tox21_300065 -NCGC00256808-01 196719442 tox21-ror-cho-viability-p1 set2 4 1.15812277 0.69291035 0.6747966 1.92080591 1.56356007 2.04543255 0.9590837 3.32802727 4.10684244 0.78349989 0.34898852 3.11051744 -0.71309152 1.36644802 1.11198176 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26644-00-8 97004 144213014 I Dimethyl dihydrogen diphosphate O=P(O)(OC)OP(O)(=O)OC Tox21_302697 -NCGC00257086-01 196719443 tox21-ror-cho-viability-p1 set2 4 5.77486731 6.25851617 1.41415236 9.41255027 5.2631704 9.34635687 5.69620515 5.77556947 12.12094406 7.25629908 5.82994874 14.07394333 7.69949663 4.71071682 4.13427691 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-59-8 19188 144213481 Z Z Phenoxyacetic acid O=C(O)COc1ccccc1 Tox21_303164 -NCGC00254759-01 196719840 tox21-ror-cho-viability-p1 set3 4 6.86760766 -0.475709 3.6373483 1.48847372 3.26713245 -0.08283572 14.4230628 2.52101794 2.32455504 10.18399395 -0.70447528 11.2598764 3.00193985 -0.49134652 1.42755008 1.539E-9 3.441E-9 7.6949999999E-9 1.721E-8 3.8469999999E-8 8.603E-8 1.9239999999E-7 4.3009999999E-7 9.618E-7 0.000002151 0.000004809 0.000010749999999 0.00002405 0.00005377 0.0001202 10004-44-1 24781 144211173 A A Hymexazol CC1=CC(=O)NO1 Tox21_300856 -NCGC00258664-01 196715681 tox21-ror-cho-viability-p1 set2 4 2.76786241 6.72639628 2.89950597 0.31193311 1.1987175 7.85037307 3.24556374 3.1854875 2.99693092 0.75264425 2.0692949 4.33862295 -0.09136259 3.21403832 1.58843095 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.484E-7 3.317E-7 7.4179999999E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.000041469999999 0.000092719999999 127-20-8 517058 144208310 A A Dalapon-sodium [Na+].CC(Cl)(Cl)C([O-])=O Tox21_201112 -NCGC00254400-01 196714853 tox21-ror-cho-viability-p1 set2 4 0.7582221 -2.01885483 -0.05454714 -1.10238891 -1.15917484 1.11879395 3.25298303 0.12593792 -0.41474946 2.99043411 3.22399259 -1.40858223 -1.98186427 -1.50438451 1.91601402 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-00-5 8152 144210674 A A Dodecyltrimethylammonium chloride [Cl-].C[N+](C)(C)CCCCCCCCCCCC Tox21_300356 -NCGC00254083-01 196714856 tox21-ror-cho-viability-p1 set2 4 -0.96262231 0.46483773 3.85327304 2.92315798 -0.93551638 1.76651524 1.95942062 -0.34536071 0.84758337 2.05980488 1.12547205 3.39185763 7.87329873 1.79230652 6.84780418 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-76-2 8133 144210443 A A 2-Butoxyethanol CCCCOCCO Tox21_300123 -NCGC00257657-01 196715270 tox21-ror-cho-viability-p1 set2 4 1.48620633 -3.04123259 -5.33058643 -0.10573179 -3.74959473 1.46275984 -3.66432803 -0.10462696 -0.24816266 0.32696125 1.79235988 5.57234185 -3.57350933 0.76935325 0.82586806 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.968E-8 6.6359999999E-8 1.484E-7 3.318E-7 7.4189999999E-7 0.000001659 0.0000037099999999 0.000008295 0.00001855 0.000041479999999 0.00009274 119-32-4 8390 144207301 A A 4-Methyl-3-nitroaniline O=[N+]([O-])c1cc(N)ccc1C Tox21_200103 -NCGC00258244-01 196715688 tox21-ror-cho-viability-p1 set2 4 -1.14089076 -2.79518093 -1.44232801 -2.42633867 -1.17275561 -0.40263899 -1.59330152 -0.73726118 -2.33737619 1.86602597 -1.31045486 -0.61569778 -2.56620605 0.83109748 0.96658112 1.188E-9 2.657E-9 5.941E-9 1.3279999999E-8 2.9699999999E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016609999999 0.000003713 0.000008303 0.00001856 0.000041509999999 0.00009282 638-29-9 61186 144207888 D Valeryl chloride CCCCC(Cl)=O Tox21_200690 -NCGC00258176-01 196715694 tox21-ror-cho-viability-p1 set2 2.4 2.5554198236 33.836794876 0.163205124 34 0.3 0.7590905163 0.0168796166 5.20024923 5.05104657 2.00478096 -2.36399573 13.96623969 14.92166874 4.24035556 14.26382777 17.28193058 15.24920881 19.26345172 17.97182559 18.94333168 22.55908141 29.3420184 1.229E-9 2.7469999999E-9 6.143E-9 1.374E-8 3.072E-8 6.868E-8 1.5359999999E-7 3.4339999999E-7 7.679E-7 0.000001717 0.000003839 0.000008585 0.0000192 0.00004293 0.00009599 625-48-9 12252 144207820 A 2-Nitroethanol [O-][N+](=O)CCO Tox21_200622 -NCGC00258331-01 196715700 tox21-ror-cho-viability-p1 set2 4 2.69017863 3.37125306 3.85819679 2.40443638 3.42055548 3.50884716 -0.3452771 -0.40706646 2.67962899 1.34682836 0.23654832 1.79122111 1.39723687 2.83467139 -1.09576839 1.177E-9 2.6319999999E-9 5.884E-9 1.316E-8 2.942E-8 6.579E-8 1.471E-7 3.29E-7 7.356E-7 0.000001645 0.0000036779999999 0.000008224 0.00001839 0.000041119999999 0.000091939999999 110-54-3 8058 144207975 FNS n-Hexane CCCCCC Tox21_200777 -NCGC00258701-01 196716100 tox21-ror-cho-viability-p1 set2 4 5.21714348 3.22474807 2.17655887 4.81758143 3.4165702 0.1569303 2.36630162 2.35605701 1.88612451 1.19708712 3.33004854 4.35685507 0.14978753 0.95692095 1.07248778 1.216E-9 2.719E-9 6.0809999999E-9 1.36E-8 3.04E-8 6.7979999999E-8 1.5199999999E-7 3.3989999999E-7 7.6009999999E-7 0.0000016999999999 0.0000037999999999 0.0000084979999999 0.000018999999999 0.00004249 0.00009501 1072-67-9 66172 144208347 A Ac 5-Methyl-3-isoxazolamine Cc1cc(N)no1 Tox21_201149 -NCGC00258741-01 196716115 tox21-ror-cho-viability-p1 set2 4 10.8707224818 7.578258584 -6.578258584 1 3.9294729863 0.8271338487 0.0043673176 -7.01895733 -6.99326254 -5.05482301 -6.58018256 -6.88546953 -6.14958538 -7.08848033 -5.75636537 -4.48450656 -8.39854882 -8.35072084 -5.51535605 2.61730418 0.53718686 -0.94426839 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.0000036889999999 0.000008248 0.00001844 0.00004124 0.00009222 50-45-3 5765 144208387 A A 2,3-Dichlorobenzoic acid Clc1c(cccc1Cl)C(=O)O Tox21_201189 -NCGC00257650-01 196716511 tox21-ror-cho-viability-p1 set2 4 1.51723213 -0.67032159 -0.21083138 0.72441596 0.20766061 2.96735341 -4.15816125 2.15331845 -0.06697871 -2.70141238 2.1803306 3.1555185 0.48931844 -1.85036803 1.01462264 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.976E-8 6.655E-8 1.4879999999E-7 3.3279999999E-7 7.441E-7 0.0000016639999999 0.00000372 0.000008319 0.0000186 0.00004159 0.00009301 529-33-9 10723 144207294 A A 1,2,3,4-Tetrahydronaphthalen-1-ol OC2CCCc1ccccc12 Tox21_200096 -NCGC00255387-01 196700979 tox21-ror-cho-viability-p1 set1 4 -3.79515922 0.47427959 -5.51871325 -3.09896424 -2.45239258 1.49284009 -2.03703651 -1.65141652 0.02284741 1.51725088 -1.06497799 -2.32285811 -2.07557578 1.70729778 0.01282119 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13952-84-6 24874 144211638 FNS 2-Butanamine CC(N)CC Tox21_301321 -NCGC00260119-01 196703014 tox21-ror-cho-viability-p1 set1 -2.1 69.6372298062 -103.3344013276 -2.281957934 -105.6163592616 3.6272481694 0.9503986648 0.0000080423 -3.01279868 -1.56623727 -0.29765002 -0.22317485 1.26224935 -0.10000979 0.14299906 -0.47636799 0.40829874 -6.40244724 2.80718596 -3.34680438 -17.59447029 -15.18371427 -80.01239338 1.195E-9 2.6729999999E-9 5.976E-9 1.336E-8 2.988E-8 6.682E-8 1.494E-7 3.341E-7 7.4709999999E-7 0.0000016699999999 0.000003735 0.000008352 0.000018679999999 0.000041759999999 0.000093379999999 68391-01-5 8755 144209768 D Quaternary ammonium compounds, benzyl-C12-18-alkyldimethyl, chlorides [Cl-].C[N+](C)(Cc1ccccc1)CCCCCCCCCCCCCC Tox21_202570 -NCGC00260152-01 196703017 tox21-ror-cho-viability-p1 set1 4 0.076880565 -4.8909249 -0.5 -5.3909249 4.9549173134 0.3973950583 0.2761969679 -4.77336595 1.06886912 0.24875965 0.83158396 -0.86616774 -1.05807569 -10.32577075 -7.58686941 -1.34144122 -1.26604627 -1.39252265 -6.70234964 -8.74611429 -8.19710935 -5.06508612 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.00001842 0.0000412 0.00009212 129453-61-8 104741 144209802 F A Fulvestrant FC(F)(F)C(F)(F)CCCS(=O)CCCCCCCCC[C@@H]2Cc1cc(O)ccc1[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@H]23 Tox21_202604 -NCGC00258620-01 196701801 tox21-ror-cho-viability-p1 set1 4 -2.19427845 3.3559017 -1.32068999 -1.10075539 3.82949332 3.66594413 1.96777111 2.44627058 -0.14600254 0.41427407 -0.59113039 4.14421651 4.99397432 1.07506811 4.32006031 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9569999999E-8 6.613E-8 1.479E-7 3.306E-7 7.394E-7 0.0000016529999999 0.000003697 0.000008266 0.00001848 0.00004133 0.00009242 5324-84-5 23669624 144208265 A A Sodium 1-octanesulfonate [Na+].O=S(=O)([O-])CCCCCCCC Tox21_201067 -NCGC00244580-01 196701387 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -32.323203256 1.5 -30.823203256 4.0949729863 0.9455422351 0.000013488 2.06287419 -1.69960421 1.16731541 1.28107525 3.52549566 1.49598653 0.52924231 4.68402823 1.46776527 3.44533024 0.00570661 2.04564172 0.0796535 -1.71433792 -23.60266938 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00255782-01 196701389 tox21-ror-cho-viability-p1 set1 4 0.0439051723 -12.8855959879 -0.5 -13.3855959879 2.3331733767 0.6808650754 0.0472241707 -0.87007153 -2.85741398 0.27318192 1.66535907 -3.54600998 -11.03354181 -9.64316519 -13.38650551 -15.53738445 -3.83898919 -7.32075102 -18.15717528 -14.53624768 -19.07132999 -16.46520524 1.085E-9 2.427E-9 5.427E-9 1.213E-8 2.713E-8 6.067E-8 1.3569999999E-7 3.034E-7 6.783E-7 0.0000015169999999 0.000003392 0.0000075839999999 0.00001696 0.00003792 0.00008479 15086-94-9 27020 144211870 2',4',5',7'-Tetrabromofluorescein Brc4c5Oc1c(Br)c(O)c(Br)cc1C3(OC(=O)c2ccccc23)c5cc(Br)c4O Tox21_301553 -NCGC00258085-01 196701808 tox21-ror-cho-viability-p1 set1 4 1.01931419 1.82787408 0.81769979 5.75236147 2.14676503 4.0399212 5.08598751 1.91023413 2.6779183 2.16572612 0.80274123 0.84144726 0.13988282 1.6030992 2.10067015 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.486E-7 3.3239999999E-7 7.4319999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.0000929 505-48-6 10457 144207729 A A Octanedioic acid O=C(O)CCCCCCC(=O)O Tox21_200531 -NCGC00258773-01 196702211 tox21-ror-cho-viability-p1 set1 4 43.8940033243 14.593579472 1.406420528 16 0.7 0.5787083699 0.1140437876 0.3315529 3.91330986 0.6043886 2.5345566 0.58786438 0.1363224 7.03731178 0.81120633 6.68908236 -0.49464956 4.23953485 4.39475792 5.68544156 7.94046491 11.82140713 1.194E-9 2.67E-9 5.9709999999E-9 1.335E-8 2.985E-8 6.676E-8 1.493E-7 3.338E-7 7.464E-7 0.000001669 0.000003732 0.000008345 0.00001866 0.00004172 0.00009329 119-10-8 67058 144208419 A A 1-Methoxy-4-methyl-2-nitrobenzene COc1ccc(C)cc1[N+]([O-])=O Tox21_201221 -NCGC00257611-01 196702219 tox21-ror-cho-viability-p1 set1 4 0.0088108437 -7.050830044 -6.1462525559 -13.1970825999 2.4729283767 0.5460155947 0.1562104001 -6.71990617 -5.12187713 -9.11457567 -10.14885429 -16.21715607 -8.62374708 -15.52794913 -14.07285501 -9.63741639 -15.42304121 -16.4142355 -11.43628067 -10.95234047 -14.13752691 -9.63144532 1.1999999999E-9 2.684E-9 6.002E-9 1.3419999999E-8 3.0009999999E-8 6.71E-8 1.5E-7 3.355E-7 7.5019999999E-7 0.000001677 0.0000037509999999 0.000008387 0.00001875 0.000041939999999 0.000093769999999 79-20-9 6584 144207255 AC Ac Methyl acetate CC(=O)OC Tox21_200057 -NCGC00094521-05 196702220 tox21-ror-cho-viability-p1 set1 4 0.1652600354 -0.44642881 -8.40945171 -13.76978454 -0.82153281 1.30988766 -0.38109914 8.31628618 -8.24451235 -2.00006748 -11.11876997 -15.28639963 -8.58464845 1.09445986 -9.24886621 -30.16574063 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00257583-01 196702225 tox21-ror-cho-viability-p1 set1 4 4.02224343 -4.49677157 1.28885271 -5.13467046 2.92930079 -4.89474403 -4.46733922 3.12819709 0.22509188 1.16489105 -8.34454402 2.1424074 -2.72216245 -3.16881373 5.26838778 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.386E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 127-91-3 14896 144207227 FNS beta-Pinene CC2(C)C1CCC(=C)C2C1 Tox21_200029 -NCGC00254335-01 196714142 tox21-ror-cho-viability-p1 set2 4 0.1367151257 -7.1488324761 -1.3426037439 -8.49143622 0.9999999999 0.5915608871 0.1186221553 -0.63765724 -5.45609987 -0.28550312 -1.56904119 -0.45439068 -4.524418 -7.25430075 -4.24876831 -7.75706079 -5.34533619 -13.32619685 -5.18354944 -9.74130717 -8.43069897 -2.15860272 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 117428-22-5 11285653 144210942 A A Picoxystrobin O=C(OC)\C(=C\OC)c2ccccc2COc1cccc(n1)C(F)(F)F Tox21_300625 -NCGC00090760-08 196714141 tox21-ror-cho-viability-p1 set2 -3 68.1713220381 -45.2773547521 1.8880462529 -43.3893084992 4.9549173134 0.9272353073 0.0000631395 -1.22781843 -1.36253517 0.20256047 -0.95167122 3.83367509 2.12109352 3.13159167 0.13756496 2.91737153 2.58867964 1.85437917 7.00946502 0.74088556 3.96286225 -35.22960992 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00344555-01 196713743 tox21-ror-cho-viability-p1 set2 -2.2 26.6032120037 -66.9585603142 -0.736614197 -67.6951745112 2.8472712143 0.9906600751 6E-10 0.67320887 -0.23941006 -2.85566503 1.53646431 -0.1443186 -0.69298061 -0.09342466 0.57970472 -1.36869317 -0.39329545 -3.35146071 -2.59533133 -1.60808683 -23.21010258 -55.82967766 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 466-06-8 5284613 170465956 A Proscillaridin O=C1C=CC(=CO1)[C@H]6CC[C@@]5(O)[C@]6(C)CC[C@H]3[C@H]5CCC2=C[C@H](CC[C@@]23C)O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O Tox21_110442_1 -NCGC00249896-01 196713749 tox21-ror-cho-viability-p1 set2 4 7.4978038628 -16.0908846399 5 -11.0908846399 0.4999999999 0.7313629206 0.0257923881 4.76505308 4.46169285 7.61386017 0.45183051 7.31040423 5.46451452 0.87150581 -1.2355876 2.49332082 3.54743565 -0.9583346 0.6529283 -3.87469154 -5.06780941 -7.5757372 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 90-86-8 5370611 170465535 A A Cinnamedrine OC(C(C)N(C)C/C=C/c1ccccc1)c2ccccc2 Tox21_113672 -NCGC00254503-01 196714146 tox21-ror-cho-viability-p1 set2 4 1.22372185 1.52249495 7.03685802 3.66188926 1.97176835 -0.1916034 1.15238864 2.79894638 4.52106008 1.44471951 0.00779964 4.01126542 2.78813459 4.16395873 0.29478844 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52-86-8 3559 144210793 A A Haloperidol Fc1ccc(cc1)C(=O)CCCN2CCC(O)(CC2)c3ccc(Cl)cc3 Tox21_300475 -NCGC00254283-01 196714151 tox21-ror-cho-viability-p1 set2 4 -0.30295468 -2.79745492 -1.50063402 1.69936018 -6.77731657 -8.13074196 -1.16210541 -1.22710999 -1.25948607 -2.38212763 -4.28746417 -1.89140299 0.10589858 -4.25457452 -0.1744268 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-18-5 15600 144210654 FNS Decane CCCCCCCCCC Tox21_300336 -NCGC00254093-01 196714152 tox21-ror-cho-viability-p1 set2 4 0.97292725 0.94775028 -0.205973 -0.81693141 -0.27312142 -0.24666233 -0.70069295 -0.86519326 -0.35496967 0.26062624 0.6316055 4.24185523 0.87783441 4.34856379 4.21497566 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68-12-2 6228 144210359 AC Ac N,N-Dimethylformamide CN(C)C=O Tox21_300039 -NCGC00255016-01 196714159 tox21-ror-cho-viability-p1 set2 4 1.08206313 -0.47364757 1.72034208 1.82132043 1.12035387 3.1347806 -0.10227403 1.09614751 1.21719328 2.45640585 0.12070092 2.4733211 3.51093738 1.38064581 6.13348229 1.088E-9 2.432E-9 5.439E-9 1.216E-8 2.7189999999E-8 6.08E-8 1.36E-7 3.0399999999E-7 6.7979999999E-7 0.0000015199999999 0.000003399 0.000007601 0.000017 0.000037999999999 0.00008498 104-21-2 7695 144211433 A A 4-Methoxybenzyl acetate COc1ccc(COC(C)=O)cc1 Tox21_301116 -NCGC00254087-01 196714162 tox21-ror-cho-viability-p1 set2 4 2.04873268 0.6712675 2.3600039 0.17533562 0.01754539 0.84897435 0.50022808 -1.25642278 0.32476697 3.18475848 2.41223539 4.35793548 7.4382831 3.22683428 5.09146343 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 288-88-0 9257 144210433 AC Ac 1H-1,2,4-Triazole c1ncnn1 Tox21_300113 -NCGC00253964-01 196714163 tox21-ror-cho-viability-p1 set2 4 61.130564862 16.5369564359 -3.0369564359 13.5 3.2974983358 0.66520086 0.05595374 0.39487806 0.90926999 -1.73869478 -3.6972496 -7.53079703 -4.62383966 -0.4378339 -3.23377794 -3.32429821 -2.72145287 -3.42539955 -7.45777094 -1.07497738 0.30286329 10.03913191 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1119-40-0 14242 144210435 A A Dimethyl glutarate O=C(CCCC(=O)OC)OC Tox21_300115 -NCGC00254546-01 196714166 tox21-ror-cho-viability-p1 set2 4 -0.03540269 1.62398521 -3.61168573 0.67209907 0.62837153 1.73447988 -3.61689986 -2.98137177 1.82380486 -3.02815595 -3.40420732 -0.90817621 -2.25258334 -0.1729469 0.04917563 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 150-68-5 8800 144210685 A A Monuron Clc1ccc(NC(=O)N(C)C)cc1 Tox21_300367 -NCGC00091602-02 196714558 tox21-ror-cho-viability-p1 set2 4 0.43907408 2.05119488 -0.34504543 0.01970834 1.71792677 1.34405717 -0.62657883 2.05634752 3.68182174 0.22754145 -0.45719464 0.14083789 1.12845315 1.62022152 2.1427188 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00254251-01 196714578 tox21-ror-cho-viability-p1 set2 4 -0.83043585 0.04622674 -0.08911253 -1.14948441 0.05152012 0.46223813 -2.04288469 0.33028348 -0.55957701 -2.24445916 0.54467728 -2.50827078 -3.21312923 -0.7428836 -4.71877567 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 110235-47-7 86296 144210952 A A Mepanipyrim Cc2cc(nc(Nc1ccccc1)n2)C#CC Tox21_300635 -NCGC00259393-01 196721437 tox21-ror-cho-viability-p1 set3 4 -4.31190312 -3.39639802 -3.51020784 -6.43939958 -0.86713286 -1.34668389 -2.76939296 -2.41744431 -2.48611686 -5.09594815 -3.02780368 -6.20573566 -3.22577731 2.03361096 -0.35136442 1.242E-9 2.7759999999E-9 6.208E-9 1.388E-8 3.104E-8 6.94E-8 1.552E-7 3.4699999999E-7 7.76E-7 0.000001735 0.00000388 0.000008676 0.000019399999999 0.00004338 0.000097 625-55-8 12257 144209042 D Isopropyl formate CC(C)OC=O Tox21_201844 -NCGC00259893-01 196721449 tox21-ror-cho-viability-p1 set3 4 30.7937103556 14.9852279159 -3.9852279159 11 4.9549173134 0.6849159525 0.0452669687 -6.81168756 -1.18255483 2.28182813 3.99656171 -6.43342836 -6.52709382 -7.0492369 -6.7714673 -7.48768993 -2.55669695 -6.07665925 -3.20850449 -5.10627385 9.37709719 12.24669326 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.312E-7 7.405E-7 0.000001656 0.000003702 0.000008279 0.00001851 0.0000414 0.00009256 1067-53-4 14025 144209542 FC Tris(2-methoxyethoxy)vinylsilane COCCO[Si](OCCOC)(C=C)OCCOC Tox21_202344 -NCGC00258909-01 196722234 tox21-ror-cho-viability-p1 set3 4 0.0172990416 8.45136056 -8.95136056 -0.5 4.9549173134 0.5871068035 0.1213588226 -1.78567466 -16.6261338 -8.42584612 -8.2331034 2.73164205 -1.9739151 -2.34568132 1.49902318 -1.46874255 -1.05098039 -1.52662518 1.43431342 0.25004806 -0.28750719 -15.1687497 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.96E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 33089-61-1 36324 144208555 A B Amitraz Cc2ccc(/N=C/N(C)/C=N/c1ccc(C)cc1C)c(C)c2 Tox21_201357 -NCGC00256595-01 196718142 tox21-ror-cho-viability-p1 set2 4 0.3857077887 4.7543744719 -0.7543744719 4 0.8999999999 0.4918482016 0.1891686112 0.4983242 -0.50019121 -1.73364697 -2.29531206 -0.40831486 2.41218798 -0.54270112 1.60233552 2.65861121 2.51104903 0.31800991 9.04279212 2.96453628 1.89253976 4.49238256 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3068-88-0 18303 144213305 F beta-Butyrolactone O=C1CC(C)O1 Tox21_302988 -NCGC00091210-02 196718131 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -23.293697004 -2.5 -25.793697004 0.7999999999 0.509082296 0.1706817435 -0.58468574 1.94809508 -0.23894536 2.29825709 -9.37262092 -5.01296889 -5.72433946 -2.92899793 -3.47395213 -10.97281298 0.49799638 -3.54111758 -7.65197066 -9.09919222 -18.16141417 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00256981-01 196718135 tox21-ror-cho-viability-p1 set2 4 76.9588215421 11.8080892559 -2.8080892559 9 4.9549173134 0.388472543 0.2851952829 -3.87918588 0.45123218 -3.62587716 0.02661729 -6.07557275 -4.67604667 -6.09007438 -5.89075417 -5.031557 1.54231564 2.49178849 -1.76807596 -1.50809676 -3.63699073 6.05848722 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 2386-87-0 16949 144213629 I I UT-632 O=C(OCC1CC2OC2CC1)C3CCC4OC4C3 Tox21_303312 -NCGC00256957-01 196718136 tox21-ror-cho-viability-p1 set2 4 -9.24624525 -3.79680516 -1.64889246 -7.00206178 -5.85026005 -9.30137878 -1.74994416 -1.52863623 -7.19897224 -0.68132017 -1.88768092 -3.62284077 -2.5712597 0.12916615 -3.13326646 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 3622-84-2 19241 144213501 A A N-Butylbenzenesulfonamide O=S(=O)(NCCCC)c1ccccc1 Tox21_303184 -NCGC00256815-01 196718542 tox21-ror-cho-viability-p1 set2 4 1.89715982 -0.80970204 1.79501849 2.35326824 0.85902075 7.61765036 2.13797206 7.5537163 2.58543231 2.94867038 1.3108789 2.73013017 1.02811865 1.01611312 2.52739515 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 28664-35-9 62835 144212817 Z F 4,5-Dimethyl-3-hydroxy-2,5-dihydrofuran-2-one O=C1OC(C)C(C)=C1O Tox21_302500 -NCGC00256867-01 196718555 tox21-ror-cho-viability-p1 set2 4 -0.91412159 0.95311255 0.18130312 0.71865008 1.92770616 -0.26522863 1.99549102 -1.61663603 -0.97277775 -0.6751257 -1.13148075 7.58192812 0.47729777 0.20542728 1.95655679 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1331-83-5 7695 144213043 A A Methoxybenzyl acetate COc1ccc(COC(C)=O)cc1 Tox21_302726 -NCGC00257352-01 196718559 tox21-ror-cho-viability-p1 set2 4 4.1056018747 7.0409559159 -1.5409559159 5.5 2.4063783767 0.344289893 0.3420727054 4.75582618 -1.11289548 1.3811101 1.12251506 -6.5236872 -1.34992147 -7.53412993 3.6250031 -7.45573721 -0.89459415 1.59885653 4.31658078 3.24618315 7.45923094 -0.13335136 1.026E-9 2.295E-9 5.132E-9 1.148E-8 2.5659999999E-8 5.7379999999E-8 1.283E-7 2.8689999999E-7 6.4149999999E-7 0.000001434 0.0000032069999999 0.0000071719999999 0.00001604 0.00003586 0.000080189999999 604-75-1 4616 144213809 A A Oxazepam Clc1ccc2NC(=O)C(O)N=C(c2c1)c3ccccc3 Tox21_303501 -NCGC00257157-01 196718956 tox21-ror-cho-viability-p1 set2 4 -0.52845491 0.59819156 -1.45750523 -0.37937308 -1.62881775 1.5869992 4.48655332 0.74528732 -0.07305306 0.48762498 1.04938887 -1.31413845 -1.10130649 -2.36920393 -0.55858697 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-63-8 7451 144213373 F F 1,3-Benzenedicarbonyl dichloride O=C(Cl)c1cccc(c1)C(Cl)=O Tox21_303056 -NCGC00257091-01 196718958 tox21-ror-cho-viability-p1 set2 4 0.6113056486 7.3958063201 1.1041936799 8.5 0.5 0.5643022671 0.1417364015 2.63918446 0.78194254 -0.3298386 3.64866014 0.17401584 7.10463003 1.60395144 4.82372106 4.71144248 3.79793366 6.1817389 10.1715376 6.96460487 6.27843258 4.60069586 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 541-05-9 10914 144213550 Fns Hexamethylcyclotrisiloxane C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1 Tox21_303233 -NCGC00256153-01 196728636 tox21-ror-cho-viability-p1 set3 4 4.8557733675 -10.8054465999 0 -10.8054465999 2.7867712143 0.8863949391 0.0006118337 2.52698988 -2.32273557 2.55041336 1.37279993 -0.52036729 -0.84310806 1.28316295 -3.18085375 0.18926289 -1.91426347 -2.9942084 -9.01091067 -11.9212055 -9.32745132 -11.24913857 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 929-59-9 70248 144211835 F Fns 2,2'-[Ethane-1,2-diylbis(oxy)]diethanamine NCCOCCOCCN Tox21_301518 -NCGC00090942-03 196727811 tox21-ror-cho-viability-p1 set3 -2.1 48.5577336745 -84.3290774353 -0.333569267 -84.6626467023 3.0654483358 0.9826196796 2.1E-8 -2.01363003 3.59126335 -3.22805125 -2.89883636 2.55350876 -0.50268482 0.23032648 2.11005387 -2.97198023 -4.60726401 2.52469567 -2.94104814 -0.65997593 -31.95440814 -74.74442932 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00255934-01 196727819 tox21-ror-cho-viability-p1 set3 4 6.1130564862 11.0502441639 -1.0502441639 10 4.9549173134 0.731742889 0.0325027915 -0.04882479 -0.80779939 -0.72974494 -0.60923402 -0.72911426 -0.28807032 0.53254925 -2.57149609 -2.56518536 0.43056276 -4.62520347 11.02599106 13.55689123 3.84969107 -0.44089219 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2591-86-8 17429 144212424 A A N-Formylpiperidine O=CN1CCCCC1 Tox21_302107 -NCGC00091163-03 196728216 tox21-ror-cho-viability-p1 set3 4 2.71829451 -7.56276339 -2.01032626 -0.89299069 1.59847013 0.77868432 3.77621015 3.91717044 2.59513697 -0.96151825 -1.06343904 -1.23262593 0.60966024 4.53637987 1.55386085 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00255180-01 196728639 tox21-ror-cho-viability-p1 set3 4 1.18516168 3.13033655 0.21818325 -1.51388498 -0.66468311 2.02060352 1.60756764 -3.42899792 2.44460469 -0.05396867 -0.25747845 -2.90868227 -0.02496529 -0.71556805 1.85810855 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 64700-56-7 47455 144212230 A A Triclopyr-butotyl Clc1cc(Cl)c(Cl)nc1OCC(=O)OCCOCCCC Tox21_301913 -NCGC00257632-01 196730371 tox21-ror-cho-viability-p1 set3 4 2.7139492129 -6.6305394799 1 -5.6305394799 4.9549173134 0.7704474028 0.0190020564 0.42778742 1.17062784 0.80396333 0.80064116 1.25586455 0.30470154 -1.24705622 0.15879291 1.51675846 4.97011078 -6.3587829 -4.12181951 -5.05982518 -6.34168505 -2.27048519 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 0.000091709999999 90-51-7 7022 144207276 A C 6-Amino-4-hydroxynaphthalene-2-sulfonic acid O=S(=O)(O)c1cc(O)c2cc(N)ccc2c1 Tox21_200078 -NCGC00258706-01 196729974 tox21-ror-cho-viability-p1 set3 4 1.83857229 -0.28494364 -0.92667329 1.65258698 0.12684592 1.83962345 2.3324352 -0.99234099 0.64069129 2.4612869 1.71166833 1.31520522 -0.11389165 1.4069475 -1.78622698 1.175E-9 2.628E-9 5.877E-9 1.314E-8 2.9389999999E-8 6.571E-8 1.469E-7 3.285E-7 7.346E-7 0.000001643 0.000003673 0.0000082129999999 0.00001837 0.00004107 0.00009183 994-05-8 61247 144208352 FC tert-Amyl methyl ether CC(C)(CC)OC Tox21_201154 -NCGC00258049-01 196729975 tox21-ror-cho-viability-p1 set3 4 4.6818163 0.24024807 3.37131499 0.38758374 0.07155118 2.26839349 2.40160861 0.451594 -0.45536517 5.23056443 2.57427666 0.67158645 -0.13659702 -3.88869526 -0.27690706 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.0000082699999999 0.000018489999999 0.00004135 0.000092459999999 81-21-0 6673 144207693 A A Dicyclopentadiene dioxide O1C2CC3C(C12)C5CC3C4OC45 Tox21_200495 -NCGC00258663-01 196729977 tox21-ror-cho-viability-p1 set3 4 -0.98958987 1.94519873 1.46210889 1.60508729 0.40935716 0.16762777 3.5104611 -1.03969895 1.06676986 1.13059198 3.14165372 0.08939032 -0.92076374 0.62399775 -0.69252137 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004127 0.00009229 89-65-6 54675810 144208309 A A Isoascorbic acid OC=1C(=O)O[C@H]([C@H](O)CO)C=1O Tox21_201111 -NCGC00258527-01 196730380 tox21-ror-cho-viability-p1 set3 4 35.1116799279 -36.211794164 3 -33.211794164 0.4 0.5897812704 0.1042044542 -0.21215409 1.5255089 1.32041998 7.03519449 0.16873827 0.46682053 0.10818751 4.70284409 -11.02859947 -10.23032595 0 -20.62968831 -7.70829144 -6.9699168 -24.75982847 1.2009999999E-9 2.686E-9 6.005E-9 1.3429999999E-8 3.003E-8 6.714E-8 1.501E-7 3.3569999999E-7 7.506E-7 0.0000016779999999 0.000003753 0.0000083919999999 0.000018769999999 0.00004196 0.000093829999999 42019-78-3 123504 144208172 A A 4-Hydroxy-4'-chlorobenzophenone O=C(c1ccc(Cl)cc1)c2ccc(O)cc2 Tox21_200974 -NCGC00257562-01 196730381 tox21-ror-cho-viability-p1 set3 4 -0.02256904 0.80518601 -3.22438386 -2.48252052 -0.47605885 -22.57206505 -5.14999721 -12.20894591 -9.81907892 -1.42356052 -29.32323123 -20.53069805 -4.14524174 -1.06366447 -4.63909974 1.189E-9 2.6589999999E-9 5.9469999999E-9 1.3299999999E-8 2.973E-8 6.649E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.0000037169999999 0.0000083109999999 0.000018579999999 0.000041549999999 0.00009292 930-68-7 13594 144207206 A Ac 2-Cyclohexen-1-one O=C1C=CCCC1 Tox21_200008 -NCGC00257851-01 196730383 tox21-ror-cho-viability-p1 set3 -2.4 63.3753382083 -30.422570752 -1.5 -31.922570752 2.0478617061 0.9055072836 0.0002440259 2.00762378 -2.63751945 -3.65770516 -1.32597849 -2.34486926 -2.71469913 1.54341276 -2.93055921 -4.2104044 -1.99698294 0 0 -5.92098566 -10.4224348 -23.26880896 1.216E-9 2.719E-9 6.0809999999E-9 1.36E-8 3.04E-8 6.7979999999E-8 1.5199999999E-7 3.3989999999E-7 7.6009999999E-7 0.0000016999999999 0.0000037999999999 0.0000084979999999 0.000018999999999 0.00004249 0.00009501 15950-66-0 27582 144207495 A A 2,3,4-Trichlorophenol Oc1ccc(Cl)c(Cl)c1Cl Tox21_200297 -NCGC00257566-01 196730384 tox21-ror-cho-viability-p1 set3 4 2.08441126 0.00535818 1.85708664 -1.40386017 -1.74026633 2.26218258 -1.97115583 2.33874328 1.73139835 1.63510999 -1.96161699 -2.55869799 -0.57964081 1.71827092 6.45191424 1.177E-9 2.631E-9 5.884E-9 1.316E-8 2.942E-8 6.578E-8 1.471E-7 3.289E-7 7.354E-7 0.000001645 0.0000036769999999 0.000008223 0.00001839 0.00004111 0.00009193 124-10-7 31284 144207210 AC Fns Methyl tetradecanoate O=C(CCCCCCCCCCCCC)OC Tox21_200012 -NCGC00255852-01 196701304 tox21-ror-cho-viability-p1 set1 -1.1 3.7419995049 -83.9761067015 2.3056386115 -81.67046809 1.0999999999 0.9934452055 1E-10 4.38685627 2.64501049 2.29492305 3.24769233 -2.94459376 -0.94811402 1.49825066 2.49594115 -4.36749109 -22.0613708 -35.67529778 -51.74436911 -64.73863922 -74.28910602 -79.5003715 9.497E-10 2.124E-9 4.748E-9 1.0619999999E-8 2.374E-8 5.3089999999E-8 1.187E-7 2.654E-7 5.935E-7 0.000001327 0.000002968 0.000006636 0.000014839999999 0.00003318 0.000074189999999 76-60-8 6451 144212422 A Bromcresol green Brc1cc(c(C)c(Br)c1O)C3(OS(=O)(=O)c2ccccc23)c4cc(Br)c(O)c(Br)c4C Tox21_302105 -NCGC00259710-01 196705847 tox21-ror-cho-viability-p1 set1 4 2.4262288105 6.072278592 -7.072278592 -1 4.9549173134 0.422102509 0.2518968617 -10.06023216 -3.82084721 -5.12983919 -8.77015975 -5.75378698 -5.57557147 -6.8895664 -6.0521871 -8.45688806 -9.97095373 2.8569705 -4.46948702 0.35448728 -7.82871974 4.12824684 1.177E-9 2.631E-9 5.884E-9 1.316E-8 2.942E-8 6.579E-8 1.471E-7 3.289E-7 7.355E-7 0.000001645 0.0000036779999999 0.000008223 0.00001839 0.000041119999999 0.000091939999999 124-04-9 196 144209359 A A Hexanedioic acid OC(=O)CCCCC(=O)O Tox21_202161 -NCGC00259488-01 196705846 tox21-ror-cho-viability-p1 set1 4 -0.67853728 -6.57413507 -4.9644246 -4.21329385 -7.47430884 0.92401325 -2.68638083 3.53712925 -1.73799526 0 2.4973988 -8.14488425 -4.02332779 1.2774388 0.34644435 1.194E-9 2.67E-9 5.9709999999E-9 1.335E-8 2.986E-8 6.676E-8 1.493E-7 3.338E-7 7.464E-7 0.000001669 0.000003732 0.000008345 0.00001866 0.00004172 0.000093299999999 528-44-9 10708 144209137 A A 1,2,4-Benzenetricarboxylic acid OC(=O)c1cc(ccc1C(=O)O)C(=O)O Tox21_201939 -NCGC00160537-04 196705849 tox21-ror-cho-viability-p1 set1 4 -2.71023687 -4.89768854 6.22349178 3.34990037 0.57852914 0.74803239 -0.91966303 4.37832124 2.89431582 0 1.08906831 -2.2971777 3.18538916 -4.51889311 -0.56978646 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00256126-01 196700482 tox21-ror-cho-viability-p1 set1 4 0.0008369167 11.393930308 -9.893930308 1.5 4.9549173134 0.7235492283 0.0292949681 -7.41160859 0.95315783 0.84708597 0.65496198 0.66102107 1.80128804 2.20752985 2.89085415 0.53014474 0.75444119 0.85053788 0.16301625 2.59384863 5.93058204 0.98917781 6.465E-10 1.446E-9 3.232E-9 7.2279999999E-9 1.616E-8 3.614E-8 8.081E-8 1.807E-7 4.0409999999E-7 9.0349999999E-7 0.0000020199999999 0.000004517 0.0000101 0.00002259 0.000050509999999 17766-26-6 6099917 144211595 D Trisodium 2,4,6-trithioxo-1,3,5-triazinane-1,3,5-triide [Na+].[Na+].[Na+].S=C1[N-]C(=S)[N-]C(=S)[N-]1 Tox21_301278 -NCGC00255981-01 196700484 tox21-ror-cho-viability-p1 set1 4 4.83055355 4.19934019 3.34131848 -0.45393158 2.78335543 7.02184131 -1.03301044 5.47152005 1.04818327 4.36366039 6.38437031 4.2671122 5.35194982 5.76906424 6.12378669 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 705-86-2 12810 144212195 A F 6-Pentyltetrahydro-2H-pyran-2-one O=C1CCCC(CCCCC)O1 Tox21_301878 -NCGC00255335-01 196701302 tox21-ror-cho-viability-p1 set1 -2.2 48.5577336745 -42.1807967849 2.322943815 -39.8578529699 3.1319983358 0.9294217067 0.0000537556 2.84119047 -0.95844466 3.7199538 -1.08539106 -1.97723233 1.78891697 1.53144157 1.94966449 3.54173526 8.9546732 1.00115227 0.68061784 3.9263984 -14.39843501 -34.5864505 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17230-88-5 28417 144212257 A A Danazol C#C[C@]3(O)CC[C@H]2[C@@H]4CCC1=Cc5oncc5C[C@]1(C)[C@H]4CC[C@@]23C Tox21_301940 -NCGC00256026-01 196701306 tox21-ror-cho-viability-p1 set1 4 0.0153553036 15.859712056 -11.359712056 4.5 0.3 0.6587759324 0.0595971339 -8.63309338 -3.82598871 -6.09689892 -2.09655113 0.14637257 -2.96694138 -1.46027374 3.55022231 -4.86628971 1.97404799 3.13232947 0.18915241 2.59381696 2.48276385 5.90621254 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3913-02-8 19800 144211591 A A 2-Butyloctan-1-ol CCCCCCC(CO)CCCC Tox21_301274 -NCGC00255900-01 196701308 tox21-ror-cho-viability-p1 set1 4 2.27613991 -0.90908004 1.85271244 1.8746397 4.72107441 3.88590006 1.14076108 6.53207871 -0.64321001 3.13520165 -0.66537314 1.7713358 5.51448766 9.32186719 3.34531287 1.216E-9 2.72E-9 6.0809999999E-9 1.36E-8 3.041E-8 6.7989999999E-8 1.5199999999E-7 3.4E-7 7.6019999999E-7 0.0000016999999999 0.000003801 0.000008499 0.000018999999999 0.000042499999999 0.00009502 15046-75-0 23681382 144212214 A Fc Sodium 2-methylbenzenesulfonate [Na+].Cc1ccccc1S(=O)([O-])=O Tox21_301897 -NCGC00255703-01 196701311 tox21-ror-cho-viability-p1 set1 4 2.06082409 -2.46563379 -6.71612698 -5.0047217 -4.19614714 -0.38721575 2.89122421 -1.24832692 -2.58203575 0.36086647 -3.56147192 -4.16504575 0.13614434 -3.2813776 -0.63448773 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2657-00-3 75868 144212520 Fc Fns 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo, sodium salt [Na+].[O-]S(=O)(=O)c2cccc1c2C=C\C(=[N+]=[N-])C1=O Tox21_302203 -NCGC00255587-01 196701312 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -14.67361488 1 -13.67361488 4.9549173134 0.5920724716 0.1035992154 -0.44214413 0.06337977 0.43894068 3.18375788 5.47095733 1.24362662 -0.68576464 1.7036792 -0.51182328 5.40736034 -5.12662763 0.57064197 1.09026629 0.73126885 -10.9780124 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2631-37-0 17516 144211741 A A Promecarb O=C(Oc1cc(C)cc(c1)C(C)C)NC Tox21_301424 -NCGC00254881-01 196720706 tox21-ror-cho-viability-p1 set3 4 0.0072980593 -13.96457364 -15.04327384 -8.67181205 -3.33340051 -9.07363009 -6.39918164 -0.85916794 -3.10923046 -2.27136781 -1.62090313 -2.00274428 -1.59774687 0.18412601 2.90363111 8.17023067 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-12-6 8092 144211296 A A Methyl 2-octynoate O=C(C#CCCCCC)OC Tox21_300979 -NCGC00254281-01 196720301 tox21-ror-cho-viability-p1 set3 -3 1.4090018424 -44.297981404 -0.5 -44.797981404 2.7202212143 0.7536416831 0.0720045488 -4.954838 -5.09145842 2.23344012 -3.24036905 1.97768106 1.69779234 -6.90325596 2.3535994 3.4904331 -33.9378647 -3.47631366 -5.40495467 -3.62018487 -6.47189149 -13.88798078 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.00001889 0.00004225 0.00009447 95-87-4 7267 144210644 A A 2,5-Dimethylphenol Cc1cc(O)c(C)cc1 Tox21_300326 -NCGC00254620-01 196720695 tox21-ror-cho-viability-p1 set3 4 0.0239364067 9.3185110919 -8.8185110919 0.5 1.3437170999 0.445121369 0.2294252654 -2.99938696 -15.26542591 -7.6635518 -2.39246212 -4.99664551 -0.74993632 -0.04466447 -0.71878292 1.18143703 -1.94713486 -1.51187737 -2.54447775 -2.44894378 0.16007414 9.94790911 1.281E-9 2.863E-9 6.4029999999E-9 1.4319999999E-8 3.2009999999E-8 7.159E-8 1.6009999999E-7 3.579E-7 8.004E-7 0.00000179 0.000004002 0.000008948 0.00002001 0.00004474 0.000099999999999 140-95-4 8827 144211031 CC Dimethylolurea OCNC(=O)NCO Tox21_300714 -NCGC00091483-03 196720696 tox21-ror-cho-viability-p1 set3 4 2.37555109 -2.30441857 -10.47784584 -2.35564056 0.02276844 2.11557679 -0.79555328 0.3729361 -1.86562061 -0.22687928 -1.09616397 0.64598353 -9.94374 0.71259578 -11.22280005 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00254132-01 196720708 tox21-ror-cho-viability-p1 set3 4 6.0443474356 -8.944983196 10 1.055016804 4.9549173134 0.3970139533 0.2748007666 12.95092856 11.63647918 11.8011573 17.84123815 -1.62081933 11.49047438 15.05476244 2.18481012 6.65373434 9.84719699 14.76688478 2.7132359 2.32297083 0.10500548 0.62382217 1.062E-9 2.374E-9 5.309E-9 1.187E-8 2.654E-8 5.935E-8 1.327E-7 2.968E-7 6.636E-7 0.000001484 0.000003318 0.000007419 0.00001659 0.0000371 0.00008295 NOCAS_47385 60196410 144210577 A A SAR377142 CC(C)N4CCC(NC(=O)c3cc1cc(OCCOC)ncc1n3CC(=O)Nc2ccc(Cl)cn2)CC4.CC(=O)O Tox21_300257 -NCGC00254018-01 196720709 tox21-ror-cho-viability-p1 set3 4 -14.27734529 -16.07428816 -11.30946969 -2.45806807 -11.16029857 -11.29383402 -7.85422726 -4.23499794 -8.55215808 -11.04073443 -7.65002841 -12.51955982 -9.41505408 -6.04941059 -9.26352268 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-94-8 7031 144210599 A A Michler's ketone CN(C)c1ccc(cc1)C(=O)c2ccc(cc2)N(C)C Tox21_300279 -NCGC00091830-04 196720712 tox21-ror-cho-viability-p1 set3 4 0.0216899429 14.8303202159 -17.0728977239 -2.242577508 0.6 0.8576298109 0.0017904953 -14.08270842 -16.72741477 -8.76116294 -10.35626701 -11.28441444 -8.2926182 -4.1123956 -2.53546186 -6.12474626 -2.99104078 -0.61881459 -2.79558751 -3.36282924 -2.540654 -2.19666035 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00254440-01 196720716 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -46.301185151 4.5 -41.801185151 4.9549173134 0.7913789087 0.0094668556 7.88618451 9.21975115 9.57259877 5.08564227 2.95064079 -3.60063737 2.1626862 -4.41850723 7.56258735 5.64442288 4.67599598 5.94517099 -2.99760021 9.03472257 -33.85804417 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97322-87-7 5591 144210788 A A Troglitazone Cc1c(O)c(C)c(C)c2OC(C)(CCc12)COc4ccc(CC3SC(=O)NC3=O)cc4 Tox21_300470 -NCGC00091759-02 196721109 tox21-ror-cho-viability-p1 set3 4 -7.99595348 2.56040277 2.00710072 7.04379127 -4.41660593 -8.21647342 -5.70271626 0.80361278 -5.99871698 5.60898915 -5.23991673 -1.87343042 -6.32319313 0.60633282 -2.89067382 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00259382-01 196721111 tox21-ror-cho-viability-p1 set3 4 22.1318386463 8.455355976 -3.955355976 4.5 4.9549173134 0.5979719558 0.0995299078 -6.27788776 -6.52012303 -2.26529295 -3.23028755 -0.12280489 -5.23256676 -2.26251171 -5.18866998 -7.04612998 -0.00093263 -0.83542828 -5.93386025 -1.36664121 4.34579947 4.22260148 1.1999999999E-9 2.684E-9 6.002E-9 1.3419999999E-8 3.0009999999E-8 6.711E-8 1.501E-7 3.355E-7 7.5029999999E-7 0.0000016779999999 0.0000037519999999 0.0000083889999999 0.00001876 0.000041939999999 0.00009379 121-17-5 8462 144209031 A A 1-Chloro-2-nitro-4-(trifluoromethyl)benzene O=[N+]([O-])c1cc(ccc1Cl)C(F)(F)F Tox21_201833 -NCGC00259122-01 196721112 tox21-ror-cho-viability-p1 set3 4 -16.37158543 -12.11750959 -10.639404 1.47431972 -9.36052969 -14.2557025 -8.08038745 -15.39866585 -9.06684807 -10.15071386 -6.43286699 -11.11770399 -9.89518935 -0.66988942 -2.2507263 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.000003688 0.000008248 0.00001844 0.00004124 0.000092209999999 97-85-8 7351 144208771 FNS Isobutyl isobutyrate CC(C)C(=O)OCC(C)C Tox21_201573 -NCGC00254159-01 196719912 tox21-ror-cho-viability-p1 set3 4 8.03805828 2.91767475 -2.12071813 3.50861078 -0.01657923 0.25813783 0.02744336 3.90115885 -4.06439931 -1.00779819 9.24255002 1.03637803 8.42033644 6.40933754 6.85331726 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-55-6 1030 144210326 A A 1,2-Propylene glycol CC(O)CO Tox21_300006 -NCGC00256944-01 196719405 tox21-ror-cho-viability-p1 set2 4 -3.97153863 0.06994644 1.31456284 0.91926504 -5.05522837 -2.09545467 -10.37980979 -3.39027418 -12.80059238 -7.5312758 -0.96672812 -0.65328815 -0.89206278 -1.33973348 -0.91653602 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-23-1 8840 144213584 A A Methyl 12-hydroxyoctadecanoate O=C(CCCCCCCCCCC(O)CCCCCC)OC Tox21_303267 -NCGC00256684-01 196719400 tox21-ror-cho-viability-p1 set2 4 -2.97186044 -7.15770312 -6.52007066 -2.58017395 -4.83027899 -7.20397578 -6.5535829 -1.11057821 -1.45122752 -2.49921679 -2.03558205 -1.86417085 -2.82827201 -1.59478659 -0.80002338 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1331-81-3 7738 144212838 A D Methoxybenzyl alcohol COc1ccc(CO)cc1 Tox21_302521 -NCGC00256537-01 196719403 tox21-ror-cho-viability-p1 set2 4 3.61573356 3.75690279 -1.90305986 1.19110071 4.10884691 3.90423198 -0.18742223 5.1034058 3.20637651 3.69605645 2.97136828 0.1345286 1.64685481 -1.4301669 2.67743186 1.1779999999E-9 2.634E-9 5.891E-9 1.3169999999E-8 2.945E-8 6.586E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.0000036819999999 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009204 59-67-6 938 144213221 A A Nicotinic acid O=C(O)c1cccnc1 Tox21_302904 -NCGC00163815-04 196719411 tox21-ror-cho-viability-p1 set2 -2.1 65.1933385464 -86.6353158855 0.6232790039 -86.0120368816 2.9022712143 0.9800115458 4.73E-8 0.79200737 0.03079348 2.9649189 -0.27494507 2.37286762 -1.57750811 3.22778808 -0.72023298 0.65074138 0.21147888 2.84601675 2.51841943 -8.92188055 -17.84138302 -65.53942188 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.00009723 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00257490-01 196719416 tox21-ror-cho-viability-p1 set2 4 0.65345354 -0.46153237 1.36417393 2.42572065 0.81743447 1.6180004 2.07577829 3.73473231 2.93350032 2.37371347 5.20730139 2.1329755 3.6170879 0.88330932 5.64203618 1.094E-9 2.447E-9 5.471E-9 1.223E-8 2.7349999999E-8 6.117E-8 1.368E-7 3.058E-7 6.8389999999E-7 0.0000015289999999 0.000003419 0.000007646 0.0000171 0.00003823 0.00008548 181274-17-9 12056760 144213803 A A Flucarbazone-sodium [Na+].COC2=NN(C(=O)[N-]S(=O)(=O)c1ccccc1OC(F)(F)F)C(=O)N2C Tox21_303495 -NCGC00257554-01 196719813 tox21-ror-cho-viability-p1 set3 4 0.216899429 7.873593028 -2.373593028 5.5 4.9549173134 0.5076017134 0.1719926215 -0.33111227 -0.41637872 -5.72799419 -3.88207387 1.441355 -4.54021616 -2.56741085 6.17104715 6.95853593 11.24304116 8.9038018 -1.1038926 0.24928961 0.49103283 10.60237021 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3775-55-1 77406 144210964 A A 2-Amino-5-(5-nitro-2-furyl)-1,3,4-oxadiazole Nc1nnc(o1)c2oc(cc2)[N+]([O-])=O Tox21_300647 -NCGC00254549-01 196719820 tox21-ror-cho-viability-p1 set3 -2.1 38.5707788719 -85.6326705794 5.0352251285 -80.5974454509 2.3331733767 0.9393339085 0.0000239649 -1.18368852 -1.4630387 2.168542 3.57024614 3.18757001 5.23803613 -0.25090786 6.91859618 2.18997546 19.15558434 12.53462546 4.95380706 -2.30551963 -43.82480983 -70.13991309 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-91-9 24814 144210958 Antimony trichloride Cl[Sb](Cl)Cl Tox21_300641 -NCGC00160537-04 196719823 tox21-ror-cho-viability-p1 set3 4 0.0061130565 15.3306794 -17.466028108 -2.135348708 0.6 0.5167245625 0.1644279069 -10.97303625 -16.22169009 -7.22201436 -4.78819875 -11.51305602 -6.23823242 -3.73892963 -2.28171368 -3.0392175 -0.38813932 -0.11279059 -0.45607793 -3.52544904 -7.50549573 -7.43428138 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00254269-01 196719824 tox21-ror-cho-viability-p1 set3 -3 76.9588215421 -34.925106424 -4 -38.925106424 4.9549173134 0.650744239 0.0636085546 -10.184587 -14.62789927 -8.46538055 -2.66311175 -8.76060869 -8.64001394 -3.89976492 -1.73670694 -0.88702076 -5.0255838 -1.02502195 0.86360246 -1.5748123 1.65234331 -30.77092202 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 210826-40-7 9910393 144210780 D CP-456773 OC(C)(C)c1coc(c1)S(=O)(=O)NC(=O)Nc3c4CCCc4cc2CCCc23 Tox21_300462 -NCGC00254710-01 196719832 tox21-ror-cho-viability-p1 set3 4 2.51273163 3.82078016 0.45019032 -2.63087154 7.89852036 3.35607739 6.98984601 -0.73420409 -3.81852889 8.81867125 4.98635877 7.98934264 1.48034044 3.60822902 5.14943364 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 6923-22-4 5371562 144211123 A B Monocrotophos O=P(OC)(OC)OC(\C)=C\C(=O)NC Tox21_300806 -NCGC00254342-01 196720248 tox21-ror-cho-viability-p1 set3 4 0.5448267328 14.772299564 -11.272299564 3.5 0.4 0.6293294679 0.0900139244 -6.51159821 -15.64358297 -4.81118813 -13.31777974 -7.90909368 -2.6388514 -6.74489404 -2.16485023 -3.93435504 -4.04264668 -2.65162422 -0.64694518 1.5747444 1.9505829 -13.52612518 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6344-67-8 96088 144210945 A A 3-Hydroxyfluorene Oc1cc2c3ccccc3Cc2cc1 Tox21_300628 -NCGC00258294-01 196715667 tox21-ror-cho-viability-p1 set2 4 0.83400096 2.97634212 2.47599201 1.12951504 0.23611497 2.47229913 -0.97836071 -0.74285875 0.9267437 0.79525269 0.21164074 1.17734544 0.81551078 0.69502244 -0.99266239 1.167E-9 2.609E-9 5.8329999999E-9 1.304E-8 2.917E-8 6.522E-8 1.458E-7 3.261E-7 7.2909999999E-7 0.0000016299999999 0.000003646 0.000008152 0.00001823 0.000040759999999 0.00009114 595-37-9 11684 144207938 A A 2,2-Dimethylbutanoic acid CC(C)(CC)C(=O)O Tox21_200740 -NCGC00259699-01 196706342 tox21-ror-cho-viability-p1 set1 4 11.2770882821 -8.9695532519 -0.5 -9.4695532519 3.1319983358 0.794738891 0.0089833046 -1.33057192 -1.64032776 -3.47201151 -2.02699666 -0.07486203 0.21304934 -0.55632358 0.38501507 5.16913773 0 -1.04938893 -3.94983755 -9.97462771 -8.73002045 -9.43345239 1.474E-9 3.2969999999E-9 7.372E-9 1.648E-8 3.6859999999E-8 8.2419999999E-8 1.8429999999E-7 4.121E-7 9.215E-7 0.000002061 0.000004608 0.0000103 0.00002304 0.000051509999999 0.0001152 7328-97-4 62630 144209348 D 2,2',2'',2'''-[Ethane-1,1,2,2-tetrayltetrakis(4,1-phenyleneoxymethylene)]tetraoxirane c2cc(OCC1CO1)ccc2C(c4ccc(OCC3CO3)cc4)C(c6ccc(OCC5CO5)cc6)c8ccc(OCC7CO7)cc8 Tox21_202150 -NCGC00259596-01 196705949 tox21-ror-cho-viability-p1 set1 4 4.29070167 1.95353794 6.84939954 2.51132083 2.26249817 -4.67678345 0.38949073 5.91227526 -0.60083805 1.76782406 -3.4515679 0.31910384 0.06392865 0.18139517 4.72832151 1.211E-9 2.709E-9 6.056E-9 1.3539999999E-8 3.028E-8 6.771E-8 1.514E-7 3.386E-7 7.5709999999E-7 0.000001693 0.0000037849999999 0.000008464 0.00001893 0.00004232 0.00009463 108-32-7 7924 144209245 A Ac Propylene carbonate O=C1OCC(C)O1 Tox21_202047 -NCGC00259442-01 196706343 tox21-ror-cho-viability-p1 set1 4 1.66523719 34.3494163199 -28.3494163199 6 0.3 0.5641122997 0.1238023952 -29.69140374 -14.75410895 -27.5304145 -32.3745136 -11.0890186 -7.87038929 -20.13836558 -19.22073973 -22.49844206 -8.07441749 -11.72778398 1.89678202 -9.18696031 -5.21395443 1.27277016 1.1469999999E-9 2.564E-9 5.734E-9 1.282E-8 2.867E-8 6.411E-8 1.434E-7 3.206E-7 7.168E-7 0.000001603 0.000003584 0.0000080139999999 0.00001792 0.00004007 0.0000896 584-13-4 11432 144209091 A A 4-Amino-1,2,4-triazole Nn1cnnc1 Tox21_201893 -NCGC00260619-01 196702963 tox21-ror-cho-viability-p1 set1 4 -1.65336375 0.30898615 -2.54769589 5.74443431 -1.12927439 -1.65317797 -0.65704071 -1.62957476 1.36034407 -1.25725586 1.74024141 2.90253212 1.51396652 1.48769535 0.36819591 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49515 144210272 M M NTP Mix117 ER1 5-EQP Tox21_203074 -NCGC00258232-01 196702151 tox21-ror-cho-viability-p1 set1 4 0.0195673272 -6.087595756 -0.5 -6.587595756 4.9549173134 0.5694178885 0.1365680336 -1.57084539 0.11414598 -2.6392209 1.68404592 -8.66856462 -4.61718208 -8.83931518 -6.99894972 -4.25670958 -3.9086854 -5.63750114 -9.26526982 -10.48966313 -3.92609296 -1.68149712 1.1919999999E-9 2.6659999999E-9 5.962E-9 1.333E-8 2.981E-8 6.6659999999E-8 1.491E-7 3.3329999999E-7 7.4529999999E-7 0.0000016669999999 0.000003726 0.000008333 0.00001863 0.00004166 0.00009316 88-53-9 6936 144207876 A A 2-Amino-5-chloro-4-methylbenzenesulfonic acid Nc1cc(C)c(Cl)cc1S(=O)(=O)O Tox21_200678 -NCGC00258514-01 196702547 tox21-ror-cho-viability-p1 set1 -2.2 38.492343126 -50.3267307729 -4.477688246 -54.8044190189 0.8999999999 0.9435312128 0.0000163217 -6.07053049 -4.16258868 -5.20238435 -3.32671217 -5.34891167 1.28131181 -7.11463833 -4.41438541 -4.72536756 -6.8747613 -13.15090257 -14.3398072 -21.67939953 -25.251371 -43.49557065 1.1779999999E-9 2.633E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.00000368 0.00000823 0.000018399999999 0.00004115 0.00009201 97-24-5 7329 144208159 A A Fenticlor Oc2ccc(Cl)cc2Sc1cc(Cl)ccc1O Tox21_200961 -NCGC00357140-01 196702961 tox21-ror-cho-viability-p1 set1 4 3.87191571 -2.60378451 2.61192894 9.27147319 -0.30074934 -0.15054622 4.11794066 7.91366546 8.17952302 2.7572451 0.55545461 0.65493808 5.10832223 0.01421525 -4.42094533 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 624-18-0 12205 251919643 Fns 1,4-Benzenediamine dihydrochloride Cl.Cl.Nc1ccc(N)cc1 Tox21_303880 -NCGC00260304-01 196702968 tox21-ror-cho-viability-p1 set1 4 4.9528387 1.69012594 2.3806749 -0.34851286 0.4764081 0.97974776 -0.4612173 -2.9962674 2.05775314 0.0705215 2.21039376 5.79771224 1.99972595 -0.25019415 2.26722939 6.034E-11 1.349E-10 3.017E-10 6.747E-10 1.5089999999E-9 3.373E-9 7.543E-9 1.6869999999E-8 3.771E-8 8.433E-8 1.8859999999E-7 4.217E-7 9.4289999999E-7 0.000002108 0.000004714 24634-61-5 23676745 144209955 A Fc Potassium sorbate [K+].[O-]C(=O)\C=C\C=C\C Tox21_202757 -NCGC00260583-01 196702970 tox21-ror-cho-viability-p1 set1 4 -0.51975345 -8.19875504 -8.67999147 1.22323344 0.85406455 -0.16581099 -1.57904246 -5.94446211 6.14601884 -9.81476138 -8.03062626 2.90953649 -0.83431944 0.35264232 1.17049959 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49479 144210236 M M NTP Mix33 CT1 1-EQP Tox21_203038 -NCGC00357012-01 196702978 tox21-ror-cho-viability-p1 set1 4 -3.03346077 0.93676112 -4.00572441 -2.64144489 0.40893894 -0.32998853 -0.31782841 6.49593759 -0.7226727 0.94103348 0.5269992 -4.83686397 2.44029511 1.43121442 0.92117914 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 36437-37-3 118327 251919801 A 2-(2H-Benzotriazol-2-yl)-6-(butan-2-yl)-4-tert-butylphenol CC(C)(C)c1cc(c(O)c(c1)C(C)CC)n2nc3ccccc3n2 Tox21_303942 -NCGC00357214-01 196702980 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -12.7111439679 0 -12.7111439679 4.9549173134 0.7293372673 0.0270289485 -3.48097083 1.73749598 -0.50531546 0.13759726 0.60330302 -0.00251119 -0.00092394 0.52489931 -3.49668562 0.77835546 -0.50214449 0.54391282 0.18754751 0.53232068 -9.75928664 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-90-8 5355853 251919844 A Geranyl propionate C\C(C)=C\CCC(\C)=C\COC(=O)CC Tox21_303994 -NCGC00091663-03 196703384 tox21-ror-cho-viability-p1 set1 4 -4.23368452 -2.43912438 -0.93498375 0.35728212 -2.69849799 -4.89262652 -2.75010262 -1.98430805 -2.94292695 -1.9983459 1.84500158 -5.18700144 -2.65249367 -3.01865814 -2.17680092 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00260387-01 196703386 tox21-ror-cho-viability-p1 set1 4 -0.09970717 -0.52350619 -7.30098812 -5.09864603 2.7005979 0.32825023 -7.37179431 -12.22756337 -0.39524984 -5.84055206 -6.88031369 -14.93402986 -8.40672622 -0.1542932 0.90538141 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.962E-8 6.622E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 525-76-8 68236 144210039 F A 4H-3,1-Benzoxazin-4-one,2-methyl- CC2=Nc1ccccc1C(=O)O2 Tox21_202841 -NCGC00255192-01 196701327 tox21-ror-cho-viability-p1 set1 4 -6.06024014 0.73144591 0.90183557 -0.38912231 -9.16123191 0.69533214 -0.5438939 -3.62297352 -2.96092956 1.94385155 -9.70716454 0.38825971 -2.52943878 -12.47134971 -8.84274235 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69045-78-9 50293 144211563 A F 2-Chloro-5-trichloromethylpyridine ClC(Cl)(Cl)c1cnc(Cl)cc1 Tox21_301246 -NCGC00255683-01 196700928 tox21-ror-cho-viability-p1 set1 4 3.8570778872 -4.5623060119 0.5 -4.0623060119 3.1319983358 0.3810312 0.2935377868 0.02206925 1.30916829 -5.65839243 0.42126976 0.08925911 -1.44748353 0.70653803 2.45554935 2.0543797 3.83729298 -2.4957538 -4.06646157 -3.37350864 -0.83793636 -7.13525501 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22978-25-2 644213 144212310 A A 2-Chloro-5-nitro-N-phenylbenzamide O=C(Nc1ccccc1)c2cc(ccc2Cl)[N+]([O-])=O Tox21_301993 -NCGC00090708-05 196700930 tox21-ror-cho-viability-p1 set1 -1.1 3.4376242854 -64.5736040972 -2.574290898 -67.1478949952 2.7202212143 0.9737684355 2.258E-7 -5.65913933 -1.06674485 -4.25644699 0.01191825 -4.18543605 -8.08621703 -3.0668959 -0.22983082 0.06801836 -8.38301397 -34.78091732 -65.65067037 -75.67489062 -66.48954336 -56.30796974 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00259734-01 196721906 tox21-ror-cho-viability-p1 set3 4 32.9479553598 10.2415468879 -7.2415468879 3 4.0949729863 0.5390613195 0.1454678547 -11.52660152 -5.89870541 -3.8434461 -6.70716078 -5.44580036 -7.49090001 -3.71229703 -9.03922029 -10.82816519 -4.05681213 -9.30603698 -13.11795574 -4.3740738 -1.17176222 3.49860838 1.1389999999E-9 2.5469999999E-9 5.694E-9 1.2729999999E-8 2.8469999999E-8 6.3659999999E-8 1.424E-7 3.183E-7 7.118E-7 0.000001592 0.000003559 0.0000079579999999 0.000017789999999 0.00003979 0.00008897 10043-35-3 7628 144209383 Boric acid OB(O)O Tox21_202185 -NCGC00259210-01 196721501 tox21-ror-cho-viability-p1 set3 4 -1.49959401 6.72267574 -5.88572172 9.66044692 0.19166259 -1.35859637 -0.36325685 3.28013425 1.78607828 4.76725014 -0.49021763 3.70102485 -2.30230917 -6.28455205 13.13398709 1.1989999999E-9 2.6809999999E-9 5.995E-9 1.3409999999E-8 2.998E-8 6.703E-8 1.4989999999E-7 3.351E-7 7.494E-7 0.000001676 0.000003747 0.000008378 0.00001873 0.00004189 0.00009367 91-08-7 7040 144208859 FNS Toluene-2,6-diisocyanate O=C=N/c1cccc(/N=C=O)c1C Tox21_201661 -NCGC00258825-01 196721518 tox21-ror-cho-viability-p1 set3 4 -6.01248529 -8.24940253 -7.52719818 1.28771714 -4.25920308 -7.66092044 -1.04928313 -7.70521359 -9.02119993 -0.00772175 -10.28779565 -8.32944939 -2.59353591 2.66416826 -3.27339634 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.303E-7 7.387E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 118-79-6 1483 144208471 A A 2,4,6-Tribromophenol Brc1cc(Br)cc(Br)c1O Tox21_201273 -NCGC00259408-01 196721523 tox21-ror-cho-viability-p1 set3 4 13.9294404 21.35207241 -1.95478217 -3.15682013 6.0701535 4.4733566 12.49194012 11.59294938 12.25442241 6.21318698 11.76191993 18.83554845 9.72110606 6.71377458 8.90240506 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.552E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.0000036629999999 0.00000819 0.00001831 0.00004095 0.000091569999999 18883-66-4 29327 144209057 I F Streptozotocin O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)N(C)N=O Tox21_201859 -NCGC00090987-03 196721912 tox21-ror-cho-viability-p1 set3 -3 0.6113056486 -80.471425094 -10.362720814 -90.834145908 4.9549173134 0.9661135833 0.0006542088 -16.94664143 -13.30095215 -11.15990325 -5.89213284 -6.83178896 -11.63569914 -11.24211014 -9.95364122 -68.8137469 -12.25610889 -11.17702423 -18.44950977 -11.49856357 -10.19189503 -17.11298286 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00090698-04 196722718 tox21-ror-cho-viability-p1 set3 4 2.4336516212 7.01551506 1.48448494 8.5 4.9549173134 0.6407076806 0.0826569124 -0.18607845 5.23509143 -0.01143785 2.56840892 4.95870301 2.87631204 -2.09626255 -0.03016989 3.16622375 -0.99764448 10.44770683 8.7402243 8.69770777 6.50320767 4.5839468 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00091483-03 196722721 tox21-ror-cho-viability-p1 set3 -2.4 24.3365162115 -28.3485166879 1.5 -26.8485166879 4.0949729863 0.8566504242 0.0018286991 0.04848094 2.9097286 2.69679419 0.74405839 4.13897059 2.74018767 0.62722027 2.08717028 0.49124759 -9.39366183 4.43374046 6.97504674 -8.15181387 -20.19301226 -29.45709724 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00259319-01 196721526 tox21-ror-cho-viability-p1 set3 4 43.8057889539 8.708709704 -4.708709704 4 3.1319983358 0.4952638016 0.1849673744 -8.08204072 -6.51184504 -4.28936917 0.30623167 -2.4575126 -8.09059142 -3.85444913 -6.51122255 -5.77505272 -1.94650171 -5.28094526 -5.01285912 -6.62619349 0.01509692 3.08588471 1.1919999999E-9 2.6649999999E-9 5.96E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.332E-7 7.45E-7 0.0000016659999999 0.000003725 0.000008329 0.00001862 0.00004164 0.00009312 513-37-1 10555 144208968 FNS 2,2-Dimethylvinyl chloride C/C(C)=C\Cl Tox21_201770 -NCGC00090704-03 196721126 tox21-ror-cho-viability-p1 set3 2.4 68.5896218971 37.9615432239 -3.9615432239 34 4.9549173134 0.8387487129 0.0031285119 -4.20832588 -9.11398691 -2.0162587 2.17207728 -4.55395864 -0.4403278 -3.12233992 -5.1179585 -5.27204716 1.41363454 -4.70142081 -1.87096629 -10.80128602 -2.83814767 27.12468185 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00259983-01 196721130 tox21-ror-cho-viability-p1 set3 4 -7.01495931 -1.58375565 -8.71236844 -5.86787166 -7.67656111 -9.47780083 -0.57853787 -7.98210906 0.03065103 -6.42476581 -1.0529518 -8.50235477 -1.20136647 -3.21158233 -2.34101404 1.2049999999E-9 2.695E-9 6.027E-9 1.348E-8 3.013E-8 6.738E-8 1.507E-7 3.3689999999E-7 7.533E-7 0.0000016839999999 0.0000037669999999 0.000008422 0.000018829999999 0.000042109999999 0.00009417 123-17-1 61056 144209632 I A 2,6,8-Trimethyl-4-nonanol CC(C)CC(C)CC(O)CC(C)C Tox21_202434 -NCGC00259110-01 196721149 tox21-ror-cho-viability-p1 set3 4 -4.35780488 0.80410177 2.05463928 5.40244095 2.02229786 -6.4987088 0.81743257 0.9845512 -3.69369046 -4.78668693 3.02012274 2.87011325 -5.13453329 -0.6172652 1.49620543 1.19E-9 2.6619999999E-9 5.9519999999E-9 1.331E-8 2.976E-8 6.655E-8 1.4879999999E-7 3.3269999999E-7 7.44E-7 0.0000016639999999 0.00000372 0.000008319 0.0000186 0.00004159 0.000093 109-52-4 7991 144208759 A A Pentanoic acid CCCCC(=O)O Tox21_201561 -NCGC00259005-01 196721931 tox21-ror-cho-viability-p1 set3 4 -5.46811026 -3.19840342 -4.2771939 2.86355656 -2.14539025 -5.14788943 -2.90797996 -5.9570099 -4.64161616 -1.97643641 -4.20924679 -4.89146704 -5.33517824 2.94937978 3.55993106 1.1989999999E-9 2.6809999999E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.701E-8 1.4979999999E-7 3.351E-7 7.492E-7 0.000001675 0.000003746 0.000008377 0.00001873 0.00004188 0.00009365 79-77-6 638014 144208652 A Cc beta-Ionone CC=1CCCC(C)(C)C=1/C=C/C(C)=O Tox21_201454 -NCGC00259018-01 196721063 tox21-ror-cho-viability-p1 set3 4 -4.85589487 -5.54005456 -1.37915448 -1.28404451 -6.94679748 -7.8253814 -3.99295501 -4.81998862 -3.87252545 -3.9992357 -7.38113118 -3.58684207 -4.70575026 -2.99031081 -11.7494873 1.175E-9 2.628E-9 5.877E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.346E-7 0.000001643 0.000003673 0.0000082129999999 0.000018359999999 0.00004107 0.000091819999999 1478-61-1 73864 144208665 A A Bisphenol AF Oc1ccc(cc1)C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F Tox21_201467 -NCGC00254873-01 196720662 tox21-ror-cho-viability-p1 set3 4 0.0048557734 9.994493752 -11.994493752 -2 4.9549173134 0.6720250403 0.0627943764 -8.03262853 -16.24541146 -3.85967932 0.38243754 -4.46166328 -4.41285246 -2.56034944 -1.7345467 -3.29410719 -2.13978065 -2.357641 -0.93555277 -0.59432845 -5.3857453 -13.29076243 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-79-8 5430 144211287 A A Thiabendazole n1c3ccccc3nc1c2cscn2 Tox21_300970 -NCGC00258896-01 196721059 tox21-ror-cho-viability-p1 set3 4 0.5453808409 6.77527534 -2.77527534 4 0.5 0.3913862881 0.2828122685 0.38372621 0.2879893 -8.56272945 -4.20284448 -0.46845582 2.20613967 -1.20442335 0.93772395 1.6211843 0.42137531 1.24265698 2.78319627 0.26002757 6.77104613 2.26810539 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.00004125 0.000092249999999 123-01-3 31237 144208542 AC Fns Dodecylbenzene CCCCCCCCCCCCc1ccccc1 Tox21_201344 -NCGC00259570-01 196721071 tox21-ror-cho-viability-p1 set3 4 -6.13028958 -0.87822372 -1.03995164 8.97665177 -6.06692981 -5.01470176 -3.2011759 -5.88425411 -5.13176664 -4.51770375 -5.60154684 -6.45172118 -0.79247899 -0.41112058 -16.74870065 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.977E-8 6.656E-8 1.4879999999E-7 3.3279999999E-7 7.441E-7 0.0000016639999999 0.000003721 0.00000832 0.0000186 0.0000416 0.000093019999999 396-01-0 5546 144209219 A A Triamterene Nc2nc(N)nc1nc(N)c(nc12)c3ccccc3 Tox21_202021 -NCGC00259771-01 196721453 tox21-ror-cho-viability-p1 set3 4 -9.91645416 -10.42559671 -13.25090134 -0.55383488 -6.02024796 -10.12571858 -7.73703714 -14.7332406 -9.92367959 2.06235784 -10.80782879 -12.99865534 -6.32141818 -18.03566287 -28.44496243 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.4729999999E-7 3.295E-7 7.367E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.000041179999999 0.00009209 77-40-7 66166 144209420 A A Bisphenol B Oc1ccc(cc1)C(C)(CC)c2ccc(O)cc2 Tox21_202222 -NCGC00259730-01 196721462 tox21-ror-cho-viability-p1 set3 -2.2 34.4461724824 -41.7291623876 -4.412896252 -46.1420586396 1.826479391 0.8708458311 0.0011211791 -5.54840777 -7.71671261 -4.47600763 6.40483415 -1.70238023 -7.48759468 -4.50714204 -8.39132535 -8.10424526 -3.27448677 -8.61061737 -3.07044409 -17.55532871 -24.40580098 -42.72412837 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.386E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 108-68-9 7948 144209379 A A 3,5-Dimethylphenol Cc1cc(O)cc(C)c1 Tox21_202181 -NCGC00163919-02 196721472 tox21-ror-cho-viability-p1 set3 4 -7.50493533 -3.25222526 -1.67250485 4.85618786 -5.07550519 -5.09895855 -4.49551844 -4.77839793 -5.96818541 -2.71628853 -7.08060055 -7.27445157 -4.20429312 -3.7533199 -5.52898659 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00259765-01 196721852 tox21-ror-cho-viability-p1 set3 -2.4 61.0062525823 -33.160358196 -6.18392914 -39.344287336 2.7202212144 0.8831956624 0.294185469 -12.775599 -13.07821949 -5.51605103 -1.81994095 -9.00730079 -11.69257419 -13.18257015 -16.3179338 -10.85604916 -9.20752604 -5.69149975 -9.99154004 -13.40778883 -11.34896147 -31.95357278 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.945E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.000003681 0.00000823 0.000018399999999 0.00004115 0.000092019999999 98730-04-2 62306 144209414 A A Benoxacor ClC(Cl)C(=O)N1c2ccccc2OCC1C Tox21_202216 -NCGC00256418-01 196718148 tox21-ror-cho-viability-p1 set2 -2.1 27.3060203028 -77.237900712 -1.838335626 -79.076236338 1.287561 0.876102747 0.0009180463 -3.04854455 -3.87154078 -3.48424312 -0.69138802 -0.07796676 -4.58937517 -5.47456135 -4.709696 -2.02566742 -1.48489963 -0.33068799 -12.61395968 -45.23322815 -30.81456729 -77.5257219 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-56-9 2771871 144213174 F F (2Z)-2,3-Dichloro-4-oxobut-2-enoic acid O=CC(\Cl)=C(\Cl)C(=O)O Tox21_302857 -NCGC00091278-03 196717741 tox21-ror-cho-viability-p1 set2 4 0.0048557734 8.1387438639 -8.6387438639 -0.5 4.9549173134 0.619913442 0.0972888222 -5.43718691 -12.19895322 -1.39078718 0.01382629 -3.05844298 -1.15050285 -3.91306386 -2.40262222 0.32886748 0.5260051 1.74507073 0.56083406 3.11318436 0.61925427 -10.41953766 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00017112-10 196717742 tox21-ror-cho-viability-p1 set2 1.4 8.4126743008 20.647839632 -0.147839632 20.5 4.9549173134 0.8603209491 0.0016243562 0.35264092 -0.94697013 0.50850206 1.03642332 7.23398807 0.95765154 0.51769205 0.74202724 -0.35536578 -0.67855921 -5.53986636 -4.01651353 12.86715646 16.98514918 23.3528969 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 41621-49-2 38911 170464708 D Ciclopirox CC=2C=C(C1CCCCC1)N(O)C(=O)C=2.NCCO Tox21_110781_1 -NCGC00257015-01 196718146 tox21-ror-cho-viability-p1 set2 4 -1.61275266 -1.44342342 -5.4232495 -1.77419643 -4.58499261 -10.27511208 -0.858988 -2.07398272 -1.76473967 -4.87325751 -4.88917543 0.38595724 -2.45048135 -1.86460724 -3.27723294 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 673-84-7 5368821 144213561 Z F 2,6-Dimethyl-2,4,6-octatriene C\C(C)=C\C=C\C(\C)=C\C Tox21_303244 -NCGC00182076-03 196725403 tox21-ror-cho-viability-p1 set3 4 -1.73368934 0.44867966 1.09188499 8.53638927 -0.4766478 -0.84563303 8.10737408 10.00013483 2.89090741 0.71470862 2.53467546 3.29692369 9.02060862 2.98249481 6.94487335 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 346-18-9 4870 170465068 A Polythiazide NS(=O)(=O)c2cc1c(NC(CSCC(F)(F)F)N(C)S1(=O)=O)cc2Cl Tox21_113137_1 -NCGC00160654-06 196725404 tox21-ror-cho-viability-p1 set3 4 5.9557173066 -11.2907564439 5 -6.2907564439 0.5 0.4900821329 0.1887157602 5.65095764 0.87994563 5.02616839 4.77533351 4.49416725 8.4104766 6.41354427 0.27317632 -0.58292893 2.91483367 -1.51895446 6.12097862 -2.9673767 -3.57563037 -3.02343437 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 120-47-8 8434 170465715 A Ethylparaben Oc1ccc(cc1)C(=O)OCC Tox21_111961_1 -NCGC00164449-04 196725412 tox21-ror-cho-viability-p1 set3 4 1.26250409 1.01821164 2.480236 3.08004023 6.82856292 -0.1568089 1.9744021 9.07719068 11.72991151 11.7884533 2.35547629 1.59003277 2.0384628 0.45896328 -2.81776981 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00016403-06 196725413 tox21-ror-cho-viability-p1 set3 4 2.18794605 -1.19860157 2.35887294 0.7444388 0.8411498 -2.31629076 1.21688614 2.10679808 -5.95932257 -4.56313935 -4.00203188 -0.75959517 -0.70107389 1.79442798 0 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 138-37-4 67313 170465055 Z Mafenide hydrochloride Cl.O=S(N)(=O)c1ccc(CN)cc1 Tox21_110423_1 -NCGC00167532-02 196725415 tox21-ror-cho-viability-p1 set3 1.2 16.7854920005 56.9642402337 -2.7662482929 54.1979919408 2.4063783767 0.8882838743 0.0005565191 -5.15919525 -4.54251357 -1.45800221 -1.66588853 1.4280894 -4.51946064 -0.67716807 0.08260064 -6.92105978 -1.14925331 -2.42374509 3.05314338 -7.4394483 42.40618021 45.78234504 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127294-70-6 65958 170465911 Ac Balofloxacin CNC1CCCN(C1)c2c(F)cc3c(c2OC)N(C=C(C3=O)C(=O)O)C4CC4 Tox21_112529_1 -NCGC00017366-08 196725417 tox21-ror-cho-viability-p1 set3 4 3.7578035763 -8.7378473519 6.5 -2.2378473519 4.9549173134 0.3918835532 0.2967551115 4.28691746 3.75179315 1.83620897 -0.87712057 7.54947256 5.17549459 12.47880803 15.29825229 5.85478118 6.03683385 9.90802452 0.73038795 -1.85437106 -2.28153946 9.12565339 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66104-23-2 47812 170465250 A Pergolide methanesulfonate CS(=O)(=O)O.CSC[C@@H]1C[C@@H]2c3cccc4ncc(C[C@H]2N(C1)CCC)c34 Tox21_110820_1 -NCGC00018237-09 196725825 tox21-ror-cho-viability-p1 set3 4 0.14821627 -11.0625324 1.81376883 -1.37039623 0.5161668 -2.50674079 -2.86754025 -4.98152966 -8.3504438 -6.64864694 -3.23184493 -0.9557686 -2.42548308 -0.64546261 1.15111124 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52-68-6 5853 170465707 Fc Trichlorfon OC(C(Cl)(Cl)Cl)P(=O)(OC)OC Tox21_110843_1 -NCGC00016794-13 196725829 tox21-ror-cho-viability-p1 set3 4 -0.36473427 0.74530941 2.67817833 3.89654292 2.50860292 0.5661422 12.42171056 3.19539522 16.0298823 16.71023316 9.23071741 0.38477348 3.15163571 -1.06536655 -0.97672682 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25812-30-0 3463 170464998 A Gemfibrozil O=C(O)C(C)(C)CCCOc1cc(C)ccc1C Tox21_110613_1 -NCGC00257145-01 196707612 tox21-ror-cho-viability-p1 set1 4 0.84522887 0.03130884 1.88194078 -1.19671254 -0.26981829 1.81075772 3.29598692 2.53251521 6.49072991 2.1615642 -0.50794072 5.63010205 5.62861023 -0.41090083 -0.7859944 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 608-93-5 11855 144213496 A Fc Pentachlorobenzene Clc1cc(Cl)c(Cl)c(Cl)c1Cl Tox21_303179 -NCGC00255565-01 196707183 tox21-ror-cho-viability-p1 set1 4 0.59381404 -0.49226679 1.11848095 -0.53142742 2.84094569 0.4394707 5.19682041 5.43662866 6.14196001 1.64350988 0.69489923 6.80863922 2.98412445 4.72265772 3.39085058 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-68-2 41690 144212196 A Ac 4-Cyclohexylcyclohexanone O=C1CCC(CC1)C2CCCCC2 Tox21_301879 -NCGC00256381-01 196707192 tox21-ror-cho-viability-p1 set1 4 0.0108707225 -10.676544796 -5.33140286 -16.007947656 0.6 0.3178188608 0.3663859415 -7.82274752 -12.72206221 -2.77616905 -14.92567342 -9.37372432 -15.59734403 -11.94333466 -14.50991153 -17.79319121 -18.21605699 -19.58995638 -6.35204252 -19.05440421 -14.82545928 -7.55477397 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 569-57-3 11289 144213214 A A Chlorotrianisene COc1ccc(cc1)C(\Cl)=C(/c2ccc(OC)cc2)c3ccc(OC)cc3 Tox21_302897 -NCGC00256830-01 196707600 tox21-ror-cho-viability-p1 set1 4 3.50955786 -1.05006016 3.32243112 -1.02434823 2.84287888 0.53512716 0.21256196 -0.9249879 -1.2131105 1.15005849 2.68434281 -0.75303163 0.08749815 1.63586685 -1.99991586 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33467-74-2 5365049 144213932 F Fns (3Z)-Hex-3-en-1-yl propanoate O=C(CC)OCC/C=C\CC Tox21_303627 -NCGC00257286-01 196708007 tox21-ror-cho-viability-p1 set1 4 5.4482673282 10.043130144 -13.543130144 -3.5 4.9549173134 0.5334267922 0.1495067776 -12.85387359 -10.86420286 -13.44624666 -10.77105346 -16.75891274 -8.57004319 -10.97090888 -18.36927512 -15.59361353 -12.97339468 -16.42139202 0.34913296 2.38974972 -11.17621358 -6.19852301 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 938-16-9 70308 144213869 A F tert-Butyl phenyl ketone O=C(c1ccccc1)C(C)(C)C Tox21_303564 -NCGC00357157-01 196703403 tox21-ror-cho-viability-p1 set1 4 3.54331709 2.1987203 -2.13505673 3.64137272 -0.35383123 3.82000351 3.07340213 3.21384137 2.74606898 1.24994015 1.19273115 5.34222503 0.37768309 -0.2759215 1.72036087 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 687-47-8 92831 251919772 A (L)-(-)-Ethyl lactate C[C@H](O)C(=O)OCC Tox21_303905 -NCGC00249893-01 196705043 tox21-ror-cho-viability-p1 set1 4 -0.21401665 1.5130648 1.96026177 2.22936596 -2.84027659 2.14603449 -1.88280827 -0.13553669 -6.08112891 -1.23266669 -0.03826731 0.94545428 0.73759785 0.55925915 0.3051735 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53882-12-5 44564 170465346 Fc F Lodoxamide Clc1c(cc(cc1NC(=O)C(=O)O)C#N)NC(=O)C(=O)O Tox21_113669 -NCGC00016251-13 196705051 tox21-ror-cho-viability-p1 set1 4 -1.51232178 -1.62466537 -4.4127401 -5.94721011 0.13762415 -4.15970186 -1.59629663 -3.42649883 0.33829908 -4.5154776 -6.77612988 -2.62871267 -1.52418712 -0.31524467 0.97115849 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-66-9 4911 170464839 A Probenecid O=S(=O)(N(CCC)CCC)c1ccc(cc1)C(=O)O Tox21_110328_1 -NCGC00357027-01 196703821 tox21-ror-cho-viability-p1 set1 4 1.4074448 -0.69714671 -0.47874623 0.2465512 0.14364835 0.52320673 0.54471434 0.79948421 -3.83640334 -0.63292693 -9.44009576 2.0102015 0.48827061 0.52635477 5.10213559 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67-71-0 6213 251919780 A Dimethyl sulfone CS(C)(=O)=O Tox21_303712 -NCGC00357129-01 196703412 tox21-ror-cho-viability-p1 set1 4 -1.03974156 5.36249236 2.425071 -1.85582768 1.68173048 4.97114884 -0.61587248 -1.41042595 3.26315571 6.77755483 1.32625348 3.83860358 0.21705328 1.04665757 5.71317498 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-53-4 241582 251919868 A 4-Chlorophenylacetonitrile Clc1ccc(CC#N)cc1 Tox21_303864 -NCGC00357095-01 196703418 tox21-ror-cho-viability-p1 set1 4 3.68204238 6.9233368 9.60230441 7.00167626 6.50317489 -0.05713153 9.36514181 -2.1055372 0.87505307 4.0048636 3.2749903 11.49871656 0.80443662 3.84894955 -2.2568955 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 626-64-2 12290 251919931 A 4-Pyridinol Oc1ccncc1 Tox21_303817 -NCGC00260616-01 196703831 tox21-ror-cho-viability-p1 set1 4 7.4978038628 -5.9819102919 -0.5 -6.4819102919 4.9549173134 0.3686473488 0.3214678838 -0.44614209 -0.9066137 0.5279638 0.20259998 1.76092661 -0.05630432 -0.24332433 -4.5807446 -1.27119738 -5.65301806 0.6217111 4.68702177 -6.65159191 -5.62730809 -3.34340277 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49512 144210269 M M NTP Mix19 AR1 8-EQC Tox21_203071 -NCGC00260662-01 196703834 tox21-ror-cho-viability-p1 set1 4 4.67917831 0.05094887 -3.19535535 -0.42150404 -3.42949316 0.70867603 -4.21763815 4.54827229 2.74972267 0.94953085 3.0700623 6.4961005 5.13089135 -2.90005989 1.8122195 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49558 144210315 M M NTP Mix32 AR2 7-EQP Tox21_203117 -NCGC00260280-01 196703837 tox21-ror-cho-viability-p1 set1 4 -0.90390345 -3.4636133 -2.96123479 -1.78866742 0.6018377 1.05747479 -8.92628066 -4.46594852 -5.35902018 -12.15128258 -3.35154618 -3.90272944 -1.49564305 -2.41309064 0.12008695 4.973E-11 1.112E-10 2.486E-10 5.559E-10 1.243E-9 2.78E-9 6.216E-9 1.3899999999E-8 3.108E-8 6.949E-8 1.554E-7 3.4749999999E-7 7.77E-7 0.000001737 0.0000038849999999 191-24-2 9117 144209930 A Benzo(g,h,i)perylene c3cc2ccc1cccc6c1c2c4c3ccc5cccc6c45 Tox21_202732 -NCGC00260381-01 196703839 tox21-ror-cho-viability-p1 set1 4 0.388847874 -7.9728631999 -2.913634872 -10.8864980719 0.7 0.6549855708 0.0735268732 -6.40117877 -1.81656648 -1.17802906 -3.02514172 -1.21480784 -8.29414296 -7.76501134 -5.58960572 -6.13769862 -7.09622365 -12.40541506 -9.44497841 -11.1369764 -9.85648588 -1.19602351 1.188E-9 2.657E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016599999999 0.000003713 0.000008302 0.00001856 0.000041509999999 0.00009282 492-94-4 68119 144210033 A A Ethanedione,di-2-furanyl- O=C(C(=O)c1ccco1)c2ccco2 Tox21_202835 -NCGC00260388-01 196703840 tox21-ror-cho-viability-p1 set1 4 27.3893479715 -13.5231200319 -2 -15.5231200319 2.2526478767 0.6258840893 0.0795491316 -6.78559017 -0.18016653 -2.08624787 1.06309126 1.01804117 -8.91674789 -6.24444619 -2.37260144 -0.10309648 0.50420827 -0.90331534 -2.79400675 -5.90662784 -12.01306472 -14.18593336 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004132 0.0000924 534-85-0 68297 144210040 A B 1,2-Benzenediamine,N-phenyl- Nc2ccccc2Nc1ccccc1 Tox21_202842 -NCGC00163735-04 196703842 tox21-ror-cho-viability-p1 set1 4 0.15691208 -2.47200488 -1.57865656 1.01157755 -0.19308843 -1.46854453 -5.7203074 -3.44840832 0.51549213 -1.91421777 -3.06603158 -1.73620871 -6.54534009 -0.89573054 -4.45952303 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00164606-02 196704235 tox21-ror-cho-viability-p1 set1 4 0.23862279 0.5368895 -0.80222288 2.32095318 0.99833347 -0.23931785 -0.39154748 1.80850157 -0.14468434 3.97162372 0.75924854 4.34518597 2.06224005 2.90363255 0.9552448 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14368-24-2 26650 170466452 A Trocimine COc1cc(cc(OC)c1OC)C(=O)N2CCCCCCC2 Tox21_112228_1 -NCGC00164498-02 196704240 tox21-ror-cho-viability-p1 set1 4 0.99865567 1.78580084 4.88734594 1.09699632 0.40088011 7.54522238 0.01832973 1.10842035 -3.1361481 1.00153872 1.35072526 3.17923831 3.48553238 1.41475911 2.65421234 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1027-87-8 3083671 170466170 A Tolpentamide O=C(NS(=O)(=O)c1ccc(C)cc1)NC2CCCC2 Tox21_112136_1 -NCGC00259338-01 196724007 tox21-ror-cho-viability-p1 set3 4 -4.29091581 -7.32900163 -0.54512332 -3.35663378 2.88215776 2.67546825 1.68604812 5.08756338 -0.43117281 -3.74676421 -1.57328564 -1.80417147 -8.64502115 -3.21830248 0.17578065 1.188E-9 2.656E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.639E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.000003712 0.000008299 0.00001856 0.0000415 0.00009279 91-44-1 7050 144208987 A A 7-Diethylamino-4-methylcoumarin CCN(CC)c1ccc2c(c1)OC(=O)C=C2C Tox21_201789 -NCGC00253706-01 196723155 tox21-ror-cho-viability-p1 set3 4 0.2984929481 -7.3806849879 -0.5 -7.8806849879 4.9549173134 0.5898588761 0.1194046609 -1.44077609 -2.72306893 -0.13372899 0.23422989 0.35752724 0.15478579 -1.47663756 0.06356276 -6.06373961 -9.68697965 -14.06723749 -9.81843473 -4.96880894 -0.62945112 -1.83461593 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16673-34-0 85542 170466729 A A N-(2-(4-sulfamoyl)phenyl)ethyl-5-chloro-2-methoxybenzamide COc1ccc(Cl)cc1C(=O)NCCc2ccc(cc2)S(N)(=O)=O Tox21_113826 -NCGC00018153-10 196697847 tox21-ror-cho-viability-p1 set1 -2.2 26.6032120037 -42.1101516199 1 -41.1101516199 1.8079476909 0.9067826611 0.0002266317 -0.64323418 5.95222324 -6.55510795 1.43370912 4.89046074 1.05213131 0.90670763 -0.137662 0.16181079 0.09305046 2.19973901 1.08416498 -6.44744605 -14.63885471 -30.92512635 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84-17-3 667476 170465362 A Dienestrol Oc1ccc(cc1)C(=C\C)/C(=C/C)c2ccc(O)cc2 Tox21_110378_1 -NCGC00357095-01 196724003 tox21-ror-cho-viability-p1 set3 1.4 0.216899429 29.9171731119 -15.9171731119 14 0.2 0.7575754301 0.0173559929 -11.59764426 -5.01328434 -5.60226319 -11.12733208 2.04809723 -3.17204986 -2.86183313 -0.53331012 1.80912545 2.93281196 2.63177967 6.41841621 0.26043829 7.02440956 9.87873544 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 626-64-2 12290 251919931 A 4-Pyridinol Oc1ccncc1 Tox21_303817 -NCGC00068236-07 196697840 tox21-ror-cho-viability-p1 set1 4 0.13810372 -5.47051406 -1.00701584 -1.16519871 0.42191764 0.35505304 -0.96188705 1.14740752 0.94835105 0.45044217 0.73010936 0.21764491 0.39875456 2.46534373 0.21500622 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112811-59-3 5379 170465592 A Gatifloxacin CC1CN(CCN1)c2c(F)cc3c(c2OC)N(C=C(C3=O)C(=O)O)C4CC4 Tox21_110984_1 -NCGC00183025-01 196698261 tox21-ror-cho-viability-p1 set1 4 3.80065788 3.65548557 3.27074938 1.95679375 4.17199103 5.38489223 0.90293462 6.13748541 0.0104369 0.69256087 -3.4045137 1.04119451 0.98365863 0.01818597 6.3200988 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51022-74-3 3740 144206809 F A Biliscopin O=C(Nc1c(I)c(c(I)cc1I)C(=O)O)COCCOCCOCC(=O)Nc2c(I)c(C(=O)O)c(I)cc2I Tox21_113258 -NCGC00263533-01 196698263 tox21-ror-cho-viability-p1 set1 4 33.4914596268 9.655067828 -1.155067828 8.5 4.5044702849 0.6256341105 0.0817168679 0.81058666 -3.87922319 -0.1195978 0.37725724 -1.19067663 0.15811812 1.18367141 -3.10811758 -3.68230246 0.1173118 -0.86563404 -0.94258 -1.18667982 -0.11936022 6.82869038 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 39809-25-1 4725 170464955 A Penciclovir OCC(CO)CCn2cnc1c2NC(N)=NC1=O Tox21_112248_1 -NCGC00090693-11 196698265 tox21-ror-cho-viability-p1 set1 4 -0.22998337 0.16276835 -0.5298068 -1.59578687 -2.77277207 1.08113191 1.12215616 -4.59136292 0.82079095 -1.48170271 -4.58179728 -3.38141435 -2.80771145 2.00837046 -2.37428356 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25162-00-9 157672 170464932 Z D-Nicotine CN2CCC[C@@H]2c1cnccc1 Tox21_112053_1 -NCGC00253984-01 196698674 tox21-ror-cho-viability-p1 set1 -2.1 43.2771256911 -105.6450515655 -0.700243731 -106.3452952965 1.9673362061 0.9962148118 0 -1.64210964 -0.0868542 -0.06404667 -0.06266378 0.02872847 0.09214949 -2.57500322 -2.77540226 -3.16599654 0.11902612 -0.59497528 -2.31827518 -14.43822264 -51.66544936 -86.88341119 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52-51-7 2450 144210446 A A Bronopol [O-][N+](=O)C(Br)(CO)CO Tox21_300126 -NCGC00253994-01 196698695 tox21-ror-cho-viability-p1 set1 -2.4 48.5577336745 -35.832015656 0.5 -35.332015656 2.7202212143 0.9321395097 0.0000437557 -4.09379138 0.82244712 2.12457074 -0.47151521 1.0466625 2.68633618 -1.01785973 0.2023353 0.92345424 1.52511661 2.47445236 -4.53152182 0.98159885 -14.55127137 -29.44334638 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-56-3 7340 144210620 A A 2-Amino-5-azotoluene Cc2cc(/N=N/c1ccccc1C)ccc2N Tox21_300300 -NCGC00091532-04 196699104 tox21-ror-cho-viability-p1 set1 -2.1 55.1482208978 -80.2375319393 0.1178297009 -80.1197022384 1.98874246 0.9829499867 1.88E-8 -0.50238974 3.12495887 0.14029889 -0.64103168 -0.345886 -1.39230291 -0.05858492 -0.08417498 2.51500971 -0.12851378 1.53416367 -4.55143313 -11.81512945 -24.56886992 -60.69674412 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00166312-02 196723083 tox21-ror-cho-viability-p1 set3 -3 53.080386368 -37.99999268 -3.5 -41.49999268 0.7999999999 0.4498423632 0.2241248857 -0.77477526 -1.45623288 -2.46029766 -0.17488599 0.06094608 -19.42002743 -1.31401374 -13.55618547 -1.85952157 -5.00082627 -3.65448697 -6.57042732 -10.34065713 -6.34210021 -31.2499939 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57808-65-8 42574 170466628 F Closantel Clc3cc(NC(=O)c1cc(I)cc(I)c1O)c(C)cc3C(C#N)c2ccc(Cl)cc2 Tox21_112408_1 -NCGC00253716-01 196722686 tox21-ror-cho-viability-p1 set3 4 0.26603212 -3.8793702439 3 -0.8793702439 4.9549173134 0.3394827932 0.3332173966 5.0874363 3.01437305 3.65782984 -1.2719772 1.71233692 3.22298268 2.235301 7.459993 -2.33034089 2.07564628 -4.06614187 -3.51013972 1.35233271 2.87872964 -1.24852369 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 40187-51-7 198212 170466748 A A 5-Acetylsalicylamide O=C(N)c1cc(ccc1O)C(C)=O Tox21_113835 -NCGC00095049-04 196722690 tox21-ror-cho-viability-p1 set3 4 0.118832183 13.7147641959 -12.7147641959 1 4.0949729863 0.5289375562 0.1528328715 -5.23472435 -19.2723026 -14.1739953 0 -11.34650031 -28.09563683 -8.21326609 -3.293122 6.34047257 2.34030853 3.26617697 1.44267059 -2.79169342 -1.37417844 -1.28350031 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53370-90-4 3316 170465990 A Exalamide NC(=O)c1ccccc1OCCCCCC Tox21_111403_1 -NCGC00254138-01 196719836 tox21-ror-cho-viability-p1 set3 -1.1 15.3553036427 -61.9700751669 4.447575726 -57.5224994409 2.7202212143 0.9713301831 3.75E-7 1.31140912 5.41505725 5.79544528 0.6862933 9.61809161 3.89038367 3.42918558 10.94102983 -2.90881734 2.76727314 6.01001425 -0.8175953 -35.26902961 -50.15047312 -60.10745565 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-79-9 4947 144210380 A A Propyl gallate Oc1cc(cc(O)c1O)C(=O)OCCC Tox21_300060 -NCGC00257297-01 196719424 tox21-ror-cho-viability-p1 set2 -1.1 2.1689942904 -67.7799691283 -1.0153960269 -68.7953651552 4.9549173134 0.9494917897 0.0000088755 0.02415475 -0.42148981 0.13326711 -1.43000448 0.90999367 -5.89620653 -1.82248247 1.2004549 -0.31750971 -15.97788193 -65.59923309 -78.95350537 -73.99038056 -45.08677615 -74.40311558 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1166-52-5 14425 144213796 A A Dodecyl gallate Oc1cc(cc(O)c1O)C(=O)OCCCCCCCCCCCC Tox21_303487 -NCGC00257426-01 196719430 tox21-ror-cho-viability-p1 set2 4 0.0019331182 9.129155428 -5.629155428 3.5 0.7999999999 0.3220536084 0.3655054404 -3.02429619 -0.01327134 2.24598236 0.33358242 2.41212317 4.17361962 1.23311331 4.64267377 1.34394507 1.21762607 6.14235858 9.82356615 0.73752713 0.30350951 0.2800849 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 625114-41-2 10432339 144213898 A A Piragliatin O=C(Nc1cnccn1)[C@H](C[C@@H]2CC(=O)CC2)c3ccc(c(Cl)c3)S(C)(=O)=O Tox21_303593 -NCGC00256385-01 196719435 tox21-ror-cho-viability-p1 set2 4 -9.67604214 -9.8760132 -8.8586279 -6.16555109 -8.66438089 -9.30604181 -9.54997144 -2.39087193 -8.93026744 -11.34305369 -6.87295555 -3.06432003 -14.04886257 -5.43606462 -8.63180311 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-27-3 8103 144213270 A 1-Hexanol CCCCCCO Tox21_302953 -NCGC00254487-01 196719857 tox21-ror-cho-viability-p1 set3 4 12.3012811 2.77172953 14.43037227 2.9022338 5.91874532 11.3774812 1.14703744 15.67844542 5.78411383 0 5.53029141 5.08892349 12.13831322 -2.06890037 -4.97152674 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84-69-5 6782 144210929 A A Diisobutyl phthalate CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C Tox21_300612 -NCGC00254350-01 196719860 tox21-ror-cho-viability-p1 set3 4 -2.11200316 -1.2912321 -2.01640801 -10.64561574 -4.5348585 -4.34381737 -1.63174178 -0.86204564 -3.54711265 -0.11580844 0.90106907 0.34426255 -0.34056632 -2.4233518 -2.39213583 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123122-55-4 5362417 144210768 A A Candoxatril O=C(N[C@@H]1CC[C@@H](CC1)C(=O)O)C4(C[C@@H](COCCOC)C(=O)Oc2cc3CCCc3cc2)CCCC4 Tox21_300450 -NCGC00254669-01 196720255 tox21-ror-cho-viability-p1 set3 1.4 1.0870722482 22.7087673119 -5.7087673119 17 3.0654483358 0.7323562079 0.0319798762 -4.36920298 -4.6045071 -11.42397276 -8.98936819 0.44348573 -6.7078952 -3.84717809 -6.77759792 0.4799014 11.29032191 22.75165447 18.24493773 27.37872928 -0.18217601 -7.94578386 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 145701-21-9 3081304 144211082 A A Diclosulam Clc3cccc(Cl)c3NS(=O)(=O)c1nc2cc(F)nc(OCC)n2n1 Tox21_300765 -NCGC00254751-01 196720261 tox21-ror-cho-viability-p1 set3 4 21.6899429044 -25.13279822 10 -15.13279822 0.9099999999 0.7511869927 0.0191453119 10.08557015 6.24620349 11.90650965 10.87355505 19.58954377 8.31426992 4.84401984 11.18286933 5.47197548 5.19694384 3.72293175 8.01154393 -1.09987341 -8.70512558 -9.27733185 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 709-98-8 4933 144211165 A A Propanil Clc1ccc(NC(=O)CC)cc1Cl Tox21_300848 -NCGC00254722-01 196720273 tox21-ror-cho-viability-p1 set3 4 4.30288552 -3.49293506 0.99364176 0.78829071 6.11056232 -0.94959578 4.58464375 2.95680337 6.49277441 -3.8218223 3.24648891 -1.94679183 -3.07575652 -0.45284836 -1.19517422 1.547E-9 3.458E-9 7.733E-9 1.7289999999E-8 3.867E-8 8.646E-8 1.933E-7 4.3229999999E-7 9.666E-7 0.0000021609999999 0.000004833 0.00001081 0.00002417 0.00005404 0.0001208 83164-33-4 91735 144211135 A A Diflufenican Fc3ccc(NC(=O)c2cccnc2Oc1cccc(c1)C(F)(F)F)c(F)c3 Tox21_300818 -NCGC00255857-01 196727915 tox21-ror-cho-viability-p1 set3 4 10.8707224818 -5.9617479479 0 -5.9617479479 1.331 0.389238083 0.2848970102 -0.18096852 -5.46548611 -1.49817924 -0.58573988 -0.07841555 4.55117348 3.38217035 1.1873446 2.16203086 -4.79061322 1.14376659 -2.96013468 -4.79186983 -4.06212488 -6.21812329 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13457-18-6 26033 144211676 A A Pyrazophos O=C(OCC)c1cn2nc(cc2nc1C)OP(=S)(OCC)OCC Tox21_301359 -NCGC00260008-01 196708440 tox21-ror-cho-viability-p1 set2 4 -3.70310077 -1.46422121 -4.82989057 -2.19960705 2.6525524 -1.57472505 -0.81207683 -1.14389325 -1.40667538 -3.43408983 -1.08682936 -0.92071307 -0.4044473 -0.03963862 0 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.586E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009204 106-40-1 7807 144209657 A A 4-Bromoaniline Nc1ccc(Br)cc1 Tox21_202459 -NCGC00258885-01 196708431 tox21-ror-cho-viability-p1 set2 4 -2.33888158 -1.12250713 -0.43646213 -2.98014556 -2.97888886 1.34864545 -0.23482909 -0.73357668 -0.93983707 -4.56265619 -0.62887846 -1.53045691 -0.13314231 1.36255782 3.58382453 1.198E-9 2.6779999999E-9 5.989E-9 1.339E-8 2.994E-8 6.696E-8 1.497E-7 3.3479999999E-7 7.486E-7 0.0000016739999999 0.0000037429999999 0.00000837 0.000018719999999 0.00004185 0.00009358 150-78-7 9016 144208531 A Ac Hydroquinone dimethyl ether COc1ccc(OC)cc1 Tox21_201333 -NCGC00259479-01 196708436 tox21-ror-cho-viability-p1 set2 4 -3.99168526 -1.39886747 0.42084702 -5.59253126 -1.4803792 -0.12762941 -3.20766288 -1.27774141 -2.76567881 -3.42777156 -1.6317127 -1.8656819 -1.73895757 0.48111762 2.47778509 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.794E-8 1.519E-7 3.397E-7 7.596E-7 0.0000016979999999 0.000003798 0.000008492 0.000018989999999 0.00004246 0.00009494 103-90-2 1983 144209128 A A Acetaminophen Oc1ccc(NC(C)=O)cc1 Tox21_201930 -NCGC00258836-01 196708439 tox21-ror-cho-viability-p1 set2 4 -0.45075011 0.1400868 -1.1866662 -14.84485567 3.00003487 -3.56377502 -5.89417668 -2.99952657 0.61325042 1.85860569 -6.06329261 2.57482232 -3.42099506 2.07616582 -4.79087198 1.194E-9 2.6689999999E-9 5.969E-9 1.335E-8 2.985E-8 6.6739999999E-8 1.4919999999E-7 3.337E-7 7.4609999999E-7 0.000001668 0.0000037309999999 0.000008342 0.00001865 0.00004171 0.000093269999999 110-65-6 8066 144208482 B B 2-Butyne-1,4-diol OCC#CCO Tox21_201284 -NCGC00259360-01 196708836 tox21-ror-cho-viability-p1 set2 4 24.4355457375 -4.642166964 0 -4.642166964 4.0949729863 0.3506395192 0.3248287783 -2.84307727 1.6219906 5.10682349 3.45603203 -0.90486506 -1.08624113 -1.07391051 -1.21580551 -1.726258 -0.91296753 -0.58083473 1.65141127 -1.69035742 -3.15648131 -5.11847247 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.961E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008275 0.0000185 0.00004138 0.000092519999999 118-55-8 8361 144209009 A A Phenyl salicylate Oc2ccccc2C(=O)Oc1ccccc1 Tox21_201811 -NCGC00258814-01 196708847 tox21-ror-cho-viability-p1 set2 -2.4 62.1889150983 -27.37585998 -0.5 -27.87585998 4.4494702849 0.9786828298 6.93E-8 -1.35296162 -0.02525702 -2.2257537 0.3161479 0.25143034 -0.2631995 -0.07276372 -1.24922025 -2.04669666 -0.37210095 0.57065212 -1.64931175 -0.00989501 -4.64332094 -24.06321665 1.197E-9 2.676E-9 5.983E-9 1.338E-8 2.9909999999E-8 6.689E-8 1.496E-7 3.344E-7 7.478E-7 0.0000016719999999 0.0000037389999999 0.000008361 0.000018699999999 0.00004181 0.00009348 57-91-0 68570 144208460 A A 17alpha-Estradiol Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@H](O)CC[C@@H]12)c4cc3 Tox21_201262 -NCGC00091532-04 196709254 tox21-ror-cho-viability-p1 set2 -2.1 61.8773215692 -72.7247370572 -1.566226708 -74.2909637652 4.4494702849 0.9904258366 6E-10 -3.19124671 -1.35164714 -3.18247387 -5.2607268 -0.0460474 -3.06999515 1.42668847 -1.71014395 -1.35434188 -1.17523854 -2.15272415 -1.17922055 -0.55874417 -11.69387296 -64.23557861 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00259933-01 196709256 tox21-ror-cho-viability-p1 set2 4 -0.56346899 1.64361041 2.85662258 2.45528854 1.5147207 0.21734801 4.35161134 3.90242298 0.31371044 0.8801781 3.70989969 3.33371 4.23148331 5.37725029 2.67567681 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.476E-7 3.3009999999E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008253 0.00001846 0.00004127 0.000092279999999 118-52-5 8360 144209582 F 1,3-Dichloro-5,5-dimethylhydantoin O=C1N(Cl)C(=O)N(Cl)C1(C)C Tox21_202384 -NCGC00259303-01 196709266 tox21-ror-cho-viability-p1 set2 4 42.2668644241 -19.965684304 2 -17.965684304 2.2526478767 0.9163464472 0.0001318426 1.0811476 1.20852651 4.47256474 3.52621633 1.62717054 3.11416534 3.71849013 0.64669129 0.36213856 -0.35535024 2.39830316 -0.11343192 0.55015084 -7.92465447 -14.55473692 1.157E-9 2.587E-9 5.786E-9 1.2939999999E-8 2.8929999999E-8 6.4689999999E-8 1.446E-7 3.234E-7 7.2319999999E-7 0.000001617 0.0000036159999999 0.000008086 0.000018079999999 0.00004043 0.0000904 104-91-6 7729 144208952 FC 4-Nitrosophenol O=Nc1ccc(O)cc1 Tox21_201754 -NCGC00259883-01 196709276 tox21-ror-cho-viability-p1 set2 4 1.77078516 -0.29814825 4.20256058 0.30134554 -0.4114747 -3.57917762 0.04317868 -3.41545868 0.08191761 -0.52354643 -0.20016622 -0.13403238 -0.28222823 1.12993841 3.5953369 1.14E-9 2.548E-9 5.698E-9 1.2739999999E-8 2.849E-8 6.371E-8 1.4249999999E-7 3.185E-7 7.123E-7 0.0000015929999999 0.000003561 0.000007963 0.000017809999999 0.00003982 0.000089029999999 924-16-3 13542 144209532 I A N-Nitrosodibutylamine CCCCN(CCCC)N=O Tox21_202334 -NCGC00259084-01 196709671 tox21-ror-cho-viability-p1 set2 4 0.94961421 -0.85589518 0.06054398 0.3794816 -0.05522478 -0.30337907 -0.55092938 0.67510423 0.36682931 -1.59690107 -0.18471872 1.03260826 5.24086188 0.92357278 6.10750011 1.211E-9 2.709E-9 6.0569999999E-9 1.3539999999E-8 3.028E-8 6.772E-8 1.514E-7 3.386E-7 7.5709999999E-7 0.000001693 0.0000037849999999 0.000008464 0.00001893 0.00004232 0.00009464 756-79-6 12958 144208732 A Ac Dimethyl methylphosphonate CP(=O)(OC)OC Tox21_201534 -NCGC00259357-01 196709674 tox21-ror-cho-viability-p1 set2 -2.2 47.9164932974 -42.5362177332 -1 -43.5362177332 1.4787409999 0.9793005625 5.82E-8 -0.80940469 1.37192378 -1.47480648 -0.5874677 -0.98007696 -1.93484991 -0.35864777 -1.82741553 -1.31836442 -1.75495212 -1.96849143 -3.90836687 -10.66559416 -16.47450934 -33.36077101 1.167E-9 2.609E-9 5.8339999999E-9 1.304E-8 2.917E-8 6.522E-8 1.458E-7 3.261E-7 7.2919999999E-7 0.000001631 0.000003646 0.000008153 0.00001823 0.000040759999999 0.00009115 1077-28-7 864 144209006 A A alpha-Lipoic acid O=C(O)CCCCC1CCSS1 Tox21_201808 -NCGC00159396-04 196704660 tox21-ror-cho-viability-p1 set1 4 23.7101376556 8.2688692719 -1.2688692719 7 4.9549173134 0.4459256085 0.2309999657 -3.94203752 -0.02613517 -2.48045642 -4.19224987 -0.05191505 -1.19119872 -6.05739106 -1.56759943 0.15578095 2.36059188 0.88773993 2.08732935 -3.28654074 1.29664498 6.62713746 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 635-41-6 12478 170466257 A Trimetozine O=C(c1cc(OC)c(OC)c(OC)c1)N2CCOCC2 Tox21_111634_1 -NCGC00016660-06 196704670 tox21-ror-cho-viability-p1 set1 4 1.53464092 0.72935402 1.01760847 2.04896463 -2.11908259 2.47109357 0.20632837 1.01058765 1.96634704 0.44679671 1.3291043 -1.15908637 0.00842937 0.68743695 1.13449594 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5728-52-9 3332 170465835 A Felbinac OC(=O)Cc1ccc(cc1)c2ccccc2 Tox21_110549_1 -NCGC00163774-04 196704248 tox21-ror-cho-viability-p1 set1 4 -0.39155004 -3.85190578 0.60321234 -1.01585548 0.05345135 1.20142887 0.74957653 0.87092122 -0.41779967 0.2339121 -0.92661991 1.32906035 -0.07507063 0.91541665 0.74479623 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00262912-01 196704659 tox21-ror-cho-viability-p1 set1 4 23.7101376556 10.8667276039 -2.8667276039 8 1.5385888099 0.4261306708 0.2491825055 -0.58671106 2.33542281 -8.63893967 -3.94091734 -4.67614357 -3.4891767 1.27006874 -0.32759556 -3.41468898 -3.74160785 -4.06096074 -1.99433234 0.31195654 1.38874409 5.48160017 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 20662-53-7 88638 170466715 A F Benzimidazolone O=C2Nc1ccccc1N2C3CCNCC3 Tox21_113910 -NCGC00263537-01 196705076 tox21-ror-cho-viability-p1 set1 4 0.00458758 1.26551341 2.91641015 3.56855663 2.81234912 0.21161078 -0.08395416 -1.28447463 1.67319316 0.34804339 0.41516256 1.07368113 -4.45954054 -0.20481688 -6.066369 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15663-27-1 2767 170464726 F Cisplatin Cl[Pt](Cl)(N)N Tox21_111011_1 -NCGC00016798-11 196705079 tox21-ror-cho-viability-p1 set1 4 -0.10640263 0.52990817 -0.85184567 1.4466081 -3.89069369 -2.69129476 0.0763928 1.82445872 -2.62247823 -1.06213664 -1.00236399 -2.05914305 -2.76911959 -0.85630274 -0.51514651 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26839-75-8 33624 170465062 A (S)-Timolol O[C@H](COc1nsnc1N2CCOCC2)CNC(C)(C)C Tox21_110614_1 -NCGC00164543-02 196705483 tox21-ror-cho-viability-p1 set1 -2.4 29.8492948118 -30.9103414 1 -29.9103414 4.5044702849 0.9092811274 0.0001979678 2.02657226 4.37431656 2.31350225 0.19287047 1.73775608 2.8131609 -5.88305562 0.03651184 1.09725036 1.03057185 0.813483 1.15896793 -0.37389694 -3.72753689 -26.1752845 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 101477-54-7 122125 170466010 A Lomerizine dihydrochloride Cl.Cl.Fc1ccc(cc1)C(c2ccc(F)cc2)N3CCN(CC3)Cc4ccc(OC)c(OC)c4OC Tox21_112172_1 -NCGC00023339-16 196705482 tox21-ror-cho-viability-p1 set1 4 0.118832183 4.3933545639 -0.8933545639 3.5 0.8999999999 0.4120939059 0.2641636829 0.27577676 -2.82779547 -0.54106616 -0.75630313 0.18602068 1.57784708 0.3261592 1.69983909 -0.44279322 4.49605998 6.33455274 3.87494427 2.13796631 -1.51816804 7.24132126 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 92-13-7 5910 170464845 Z Pilocarpine Cn2cncc2C[C@H]1COC(=O)[C@H]1CC Tox21_110887_1 -NCGC00091759-02 196705485 tox21-ror-cho-viability-p1 set1 4 0.08958682 0.76690828 -6.66002525 -4.77706828 0.17771729 0.79103525 -0.40316083 -0.23022147 0.05030805 -0.70154824 0.90788432 0.23321521 -0.38894307 -0.45055184 -4.74136643 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00091284-03 196705488 tox21-ror-cho-viability-p1 set1 4 0.50956156 0.7097915 3.76493266 0.33952892 -0.44435873 -1.96964837 -0.5542374 0.29961807 2.033285 2.78596936 2.46168357 0.00759035 3.25472171 -5.97114918 -3.44689257 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00015558-14 196705502 tox21-ror-cho-viability-p1 set1 4 0.77684806 -1.87724407 -1.09787329 1.74554901 -0.51985774 -0.09217752 0.31117855 -0.19483143 -3.18809454 -2.48404069 -1.00451231 -2.26784059 -0.33751829 -0.58191106 6.23028556 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7683-59-2 3779 170464679 Z Isoprenaline hydrochloride Oc1ccc(cc1O)C(O)CNC(C)C Tox21_110172_1 -NCGC00090942-03 196705507 tox21-ror-cho-viability-p1 set1 -2.1 54.4826732819 -90.6109297565 -1.077303883 -91.6882336395 3.5117481694 0.9895235073 1.1E-9 -1.2323525 1.31956861 1.3945902 -3.95937821 1.19283483 -2.71125041 -1.5627248 -3.34259633 1.8425588 1.73476185 -2.63273162 -4.04812312 -1.57420786 -26.79809871 -78.93048003 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00254564-01 196699935 tox21-ror-cho-viability-p1 set1 -2.2 68.5896218971 -53.226719495 -2.833435447 -56.060154942 3.5722481694 0.9400558491 0.0000225323 -5.51997866 -6.180419 -1.95043953 0.08504178 0.86454012 -4.86829969 -1.03981728 0.74967135 -0.46799611 -5.6809615 -6.75203744 -0.91680748 -4.01419304 -10.53514234 -42.46981435 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2971-36-0 76302 144210973 A A 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane Oc1ccc(cc1)C(c2ccc(O)cc2)C(Cl)(Cl)Cl Tox21_300656 -NCGC00254332-01 196699925 tox21-ror-cho-viability-p1 set1 4 -2.00667012 0.66677943 0.30650028 5.36343641 0.03394776 -3.42498418 0.22037543 -4.26030635 -2.18816266 -2.54770597 -2.82328548 0.89478662 0.23885332 -1.78084772 -0.55258603 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-24-2 7642 144210917 A F Bis(2-ethylhexyl) nonanedioate O=C(CCCCCCCC(=O)OCC(CC)CCCC)OCC(CCCC)CC Tox21_300600 -NCGC00163815-04 196699928 tox21-ror-cho-viability-p1 set1 -2.1 58.1036241395 -87.827527077 -0.324916467 -88.152443544 1.8616924601 0.9750236361 1.707E-7 -3.43590974 -0.47366326 -3.42472073 -3.13748444 0.95840524 0.7122967 0.69618986 0.32022682 0.29592912 0.49182028 0.68926876 1.46701047 -16.93418288 -29.03090298 -66.7821542 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00254914-01 196699930 tox21-ror-cho-viability-p1 set1 4 0.41929835 -0.24838348 -3.02249442 1.82607842 -3.65627273 -2.89837132 -1.726806 -1.3284678 -3.50117502 -5.99489898 0.08066941 -2.12052751 -1.55465872 -2.79033163 -3.86609134 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 81335-77-5 54740 144211329 A A Imazethapyr CC1(N=C(NC1=O)c2ncc(CC)cc2C(=O)O)C(C)C Tox21_301012 -NCGC00253946-01 196699938 tox21-ror-cho-viability-p1 set1 4 5.4427271877 4.405309068 -0.905309068 3.5 4.9549173134 0.3961601557 0.2790862731 -1.28425987 0.1380857 -1.48068608 -1.00585283 -3.16588059 -0.68626382 0.61263708 3.69991482 -0.45243969 -0.10470554 -4.92109089 6.23814077 4.95230442 -0.20967777 3.74097918 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 123-25-1 31249 144210606 A A Diethyl butanedioate O=C(CCC(=O)OCC)OCC Tox21_300286 -NCGC00254851-01 196699940 tox21-ror-cho-viability-p1 set1 4 -1.854024 -2.71425768 -6.36393787 2.64929987 0.00497544 -5.35447993 2.1177897 0.58089412 0.48495167 -1.69220424 -0.16025192 -0.60211676 0.06120195 0.12932191 4.79238495 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 32449-92-6 2724333 144211266 I D-Glucuronolactone O[C@@H]2O[C@@H]1[C@@H](O)C(=O)O[C@@H]1[C@H]2O Tox21_300949 -NCGC00256212-01 196700341 tox21-ror-cho-viability-p1 set1 4 0.72940508 1.77067769 1.89924275 0.99221292 3.19923227 0.27190028 -0.60550636 2.16419505 3.5940959 6.86948548 1.0673584 2.58599666 -0.66046997 5.90214782 1.35156743 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 998-40-3 13831 144211917 F B Tributylphosphine CCCCP(CCCC)CCCC Tox21_301600 -NCGC00256213-01 196700345 tox21-ror-cho-viability-p1 set1 4 0.69977043 1.11788178 -0.59863706 0.11731368 1.07757116 1.58518133 0.79570391 9.62083414 0.54191421 5.30699211 1.6273942 0.10306335 0.85328824 4.24056271 3.0389072 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3778-76-5 19604 144211754 A A Todralazine hydrochloride Cl.O=C(OCC)NNc2nncc1ccccc12 Tox21_301437 -NCGC00254529-01 196698697 tox21-ror-cho-viability-p1 set1 4 0.55676069 -2.89756252 1.50356915 -4.17735411 -4.38748466 0.30375883 -4.48627146 0.12558503 -1.26587542 -1.22817958 -2.55692649 -2.60074398 -4.52521388 1.63174125 -1.27198583 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-51-8 7705 144210829 FNS Butylbenzene CCCCc1ccccc1 Tox21_300511 -NCGC00263562-01 196697884 tox21-ror-cho-viability-p1 set1 4 0.99154526 1.00965405 0.02713854 0.71020931 2.29663025 1.03644187 1.01009665 0.5282389 -0.40482047 1.60270265 2.13625787 2.86035127 -0.0757894 -0.45883117 0.02638758 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 28888-44-0 120081 170466734 A 6,7-Dimethoxyquinazoline-2,4(1H,3H)-dione COc1cc2c(cc1OC)NC(=O)NC2=O Tox21_111752_1 -NCGC00164164-02 196698288 tox21-ror-cho-viability-p1 set1 4 -6.83063302 0.14392281 -3.49867487 -1.01486352 0.65346695 0.35756222 -2.35332794 -3.66243471 -1.83514794 -0.71828746 0.36618396 -0.42025379 -1.3341629 -0.51031513 0.07248249 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00016010-09 196698305 tox21-ror-cho-viability-p1 set1 4 1.6691038 0.62365556 -1.81714349 -1.21769525 -1.86609173 -3.44174274 -1.90525994 -1.62209197 1.90643646 1.07529474 -0.20253388 1.81369301 -0.06522589 -0.87697005 -1.17729843 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23031-32-5 441334 170464990 I Terbutaline hemisulfate Oc1cc(cc(O)c1)C(O)CNC(C)(C)C.O=S(=O)(O)O.CC(C)(C)NCC(O)c1cc(O)cc(O)c1 Tox21_110602_1 -NCGC00253990-01 196698699 tox21-ror-cho-viability-p1 set1 4 1.40072054 -6.58861464 -3.08759529 0.84917494 0.44269578 1.37639578 0.45270299 -3.47201427 1.90332117 0.0500506 3.00752339 0 -0.32962487 1.34675129 -4.71271766 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47255 60196399 144210529 A D CP-465394 [Na+].OC(C)(C)c1coc(c1)S(=O)(=O)[N-]C(=O)Nc2c(cccc2C(C)C)C(C)C Tox21_300209 -NCGC00258960-01 196721493 tox21-ror-cho-viability-p1 set3 4 -7.21280196 -1.55409971 -0.48101119 6.88305535 -6.10501113 -4.02986417 -6.29635666 -1.59581966 -6.00869148 -0.98852056 -6.53153265 -4.77161842 -6.70737526 9.77428626 1.18552238 1.1859999999E-9 2.651E-9 5.928E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009262 333-41-5 3017 144208607 B B Diazinon Cc1cc(OP(=S)(OCC)OCC)nc(n1)C(C)C Tox21_201409 -NCGC00259157-01 196721094 tox21-ror-cho-viability-p1 set3 4 22.5752098952 9.900856072 -10.0478342239 -0.1469781519 4.5044702849 0.4279954693 0.2457192494 -19.20652852 -13.71808603 -5.17333702 -3.81729309 -7.66129552 -12.12559895 -7.7295018 -8.24173335 -11.63004349 -7.11801219 -14.37710296 -9.25130482 -6.98930252 -0.53914846 -0.57844144 1.22E-9 2.729E-9 6.102E-9 1.3639999999E-8 3.051E-8 6.822E-8 1.525E-7 3.411E-7 7.627E-7 0.000001705 0.000003813 0.0000085269999999 0.00001907 0.00004264 0.00009534 108-59-8 7943 144208806 B Ac Dimethyl malonate O=C(OC)CC(=O)OC Tox21_201608 -NCGC00258790-01 196721481 tox21-ror-cho-viability-p1 set3 4 0.6817132204 14.5519046399 -5.0519046399 9.5 0.9999999999 0.7371332002 0.0235964252 -8.3765872 -4.73375086 -0.90897084 -4.07644223 -6.044427 -7.73332635 0.95807342 4.17560939 -5.69572036 9.74530886 6.31042318 10.56405727 8.94109372 11.30364362 5.7334315 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003668 0.000008201 0.00001834 0.000041009999999 0.00009169 121-92-6 8497 144208436 A A 3-Nitrobenzoic acid O=[N+]([O-])c1cc(ccc1)C(=O)O Tox21_201238 -NCGC00259509-01 196721877 tox21-ror-cho-viability-p1 set3 4 38.4531352514 13.468359652 -2.468359652 11 0.4 0.5199957678 0.1626371437 1.15933894 -7.89029971 -0.53968101 -3.24938328 -2.54471955 1.86387495 -0.16995122 0.43364997 -0.59503977 -0.09661392 0.71560914 0.05063223 2.98662875 7.69523621 4.02296241 1.177E-9 2.6319999999E-9 5.8849999999E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.0000036779999999 0.000008225 0.00001839 0.00004113 0.00009196 98-11-3 7371 144209158 A A Benzenesulfonic acid O=S(O)(=O)c1ccccc1 Tox21_201960 -NCGC00259418-01 196721891 tox21-ror-cho-viability-p1 set3 4 27.1117539593 9.0351484599 -5.5351484599 3.5 4.9549173134 0.4046470162 0.2867664058 -4.78971146 -4.06437658 2.6225659 -5.13214003 -7.43383245 -6.55871791 -7.94595705 -7.47191573 -4.7912386 -7.21700121 -7.05930594 -7.08038196 -4.20183699 2.55621526 -8.344424 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.558E-8 1.466E-7 3.279E-7 7.3319999999E-7 0.0000016389999999 0.0000036659999999 0.000008197 0.00001833 0.00004099 0.00009165 118-58-1 8363 144209067 A A Benzyl salicylate Oc2ccccc2C(=O)OCc1ccccc1 Tox21_201869 -NCGC00259964-01 196721899 tox21-ror-cho-viability-p1 set3 -2.4 76.9588215421 -25.6772170561 -4.6679882799 -30.345205336 3.5117481694 0.9139689012 0.0001525936 -5.6262537 -4.7186925 -1.8066569 -2.59614461 -3.57095331 -5.6205642 -5.22313123 -4.6823881 -5.40862023 -4.89273648 -5.78738475 -7.13242664 -6.06232837 -6.80435769 -21.95433778 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041229999999 0.00009218 90-43-7 7017 144209613 A A 2-Phenylphenol Oc2ccccc2c1ccccc1 Tox21_202415 -NCGC00258913-01 196722280 tox21-ror-cho-viability-p1 set3 4 35.0064589032 12.9466966359 -0.9466966359 12 0.8999999999 0.5864181538 0.1078331557 -2.40763566 3.23542879 -1.49211969 -0.60957124 -4.95558053 -1.09772582 -3.00289924 1.47185425 -0.88853514 3.32184276 -0.03301613 4.63021115 -0.99550407 7.01284572 9.75937729 1.198E-9 2.679E-9 5.989E-9 1.339E-8 2.995E-8 6.696E-8 1.497E-7 3.3479999999E-7 7.487E-7 0.0000016739999999 0.0000037429999999 0.000008371 0.000018719999999 0.00004185 0.00009359 760-23-6 12971 144208559 AC Fc 3,4-Dichloro-1-butene C=CC(Cl)CCl Tox21_201361 -NCGC00025014-03 196722702 tox21-ror-cho-viability-p1 set3 -2.2 29.8492948118 -78.6516892341 0.4526745249 -78.1990147092 2.6384283767 0.944147052 0.0000153586 -8.09761511 1.52971884 2.0425779 3.77909477 -7.40860841 2.07854148 4.09966223 0.38668063 6.23157694 0.59810312 1.86353669 1.33209861 -5.50219032 -20.15809686 -59.24167781 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 102992-93-8 357904 170466162 A (+/-) -Niguldipine hydrochloride (1:x) Cl.[O-][N+](=O)c1cccc(c1)C2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OCCCN3CCC(CC3)(c4ccccc4)c5ccccc5 Tox21_112014_1 -NCGC00258849-01 196721924 tox21-ror-cho-viability-p1 set3 -2.2 76.3331411321 -48.6056936811 -4.158920234 -52.7646139151 0.8999999999 0.6888736631 0.0431961695 -10.33717321 -8.86500509 -2.81008654 -1.14250091 -8.14223168 1.61600998 -9.28517663 -9.26027092 -10.57758223 -5.1109164 -8.45813241 -7.44653852 -15.5941517 -12.5567883 -39.97319236 1.172E-9 2.6199999999E-9 5.859E-9 1.31E-8 2.929E-8 6.55E-8 1.465E-7 3.275E-7 7.324E-7 0.0000016379999999 0.000003662 0.000008188 0.00001831 0.00004094 0.00009154 599-64-4 11742 144208495 A A 4-Cumylphenol CC(C)(c1ccc(O)cc1)c2ccccc2 Tox21_201297 -NCGC00259263-01 196721905 tox21-ror-cho-viability-p1 set3 4 27.2782538257 12.6868809 -4.6868809 8 4.9549173134 0.5064227895 0.1905220872 -5.17174195 -4.16622576 -0.55946857 3.17725878 -8.07240075 -5.99142159 -4.93294291 -7.68749288 -7.5821163 -2.73651135 -4.28409411 -5.37635875 -3.10548781 6.81618807 1.01908049 1.179E-9 2.6359999999E-9 5.8929999999E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.294E-7 7.367E-7 0.0000016469999999 0.0000036829999999 0.000008236 0.00001842 0.000041179999999 0.00009208 89-32-7 6966 144208912 A A 1H,3H-Benzo(1,2-c:4,5-c')difuran-1,3,5,7-tetrone O=C2OC(=O)c1cc3c(cc12)C(=O)OC3=O Tox21_201714 -NCGC00259413-01 196721910 tox21-ror-cho-viability-p1 set3 -2.2 30.4821390594 -55.653428368 -2.377000544 -58.030428912 4.0949729863 0.919469134 0.0001068382 -8.29271385 -3.58370705 -5.19136267 4.70704181 -2.66039662 -5.38669475 -3.60116633 -9.8506344 0.7035018 3.56410846 -0.62880122 8.32164199 -14.12857187 -42.132933 -60.44836345 1.175E-9 2.628E-9 5.875E-9 1.314E-8 2.938E-8 6.569E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.00004106 0.0000918 55406-53-6 62097 144209062 A A 3-Iodo-2-propynyl-N-butylcarbamate O=C(NCCCC)OCC#CI Tox21_201864 -NCGC00259237-01 196721911 tox21-ror-cho-viability-p1 set3 -1.2 9.5999345934 -30.5892730999 -3.5 -34.0892730999 2.4063783767 0.9388598854 0.0000560061 -4.89105428 -2.24853128 0.85281385 -0.98210069 -6.01469797 -6.66331353 -6.28413384 -5.988959 -2.21660186 -2.95558888 -5.45156038 -13.83260125 -32.57439425 -30.9668008 -0.40193524 1.171E-9 2.6189999999E-9 5.856E-9 1.3089999999E-8 2.9279999999E-8 6.547E-8 1.464E-7 3.274E-7 7.3199999999E-7 0.000001637 0.00000366 0.0000081839999999 0.0000183 0.00004092 0.0000915 74115-24-5 73670 144208886 A A Clofentezine Clc3ccccc3c1nnc(nn1)c2ccccc2Cl Tox21_201688 -NCGC00255989-01 196710109 tox21-ror-cho-viability-p1 set2 4 0.15011169 3.88407752 2.59539815 1.13648959 1.63994899 -0.04430832 -1.52279914 -1.2087924 -1.34525219 -0.89221207 0.52745917 -0.52574701 1.70044771 1.76096159 2.23285198 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-13-6 7219 144211532 F Fns Indene c1cccc2CC=Cc12 Tox21_301215 -NCGC00255653-01 196710500 tox21-ror-cho-viability-p1 set2 4 4.68923561 -1.80738532 -0.16657336 0.87578946 -0.28923483 -3.34925837 0.81677934 -0.23630679 0.18590978 -2.53997338 -0.91758002 0.23636892 1.15419346 0.16670493 4.30402029 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 72269-48-8 5365748 144212081 A Ac (E)-4-Tridecen-l-yl acetate CC(=O)OCCC\C=C\CCCCCCCC Tox21_301764 -NCGC00256031-01 196710512 tox21-ror-cho-viability-p1 set2 4 -7.91833056 -3.22154316 -0.49194324 -7.07335763 -7.94363086 -3.92276315 -2.99918271 1.12840262 1.64082899 -2.33663886 -4.74146706 -0.63496168 1.5172329 0.29158335 -3.54611068 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 54914-85-1 97354 144212201 A A 1,1'-[Ethane-1,2-diylbis(oxy)]bis(3-methylbenzene) Cc1cc(ccc1)OCCOc2cc(C)ccc2 Tox21_301884 -NCGC00244579-01 196710523 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -46.5144707535 0.977672569 -45.5367981845 4.9549173134 0.9613097531 0.0000020405 2.8924821 2.67251621 -0.75893645 0.38325757 -0.89992006 -0.55484598 0.03390066 0.82693565 -0.1937893 -1.40054776 -1.37235768 2.2024743 1.43778739 2.17578484 -37.33079221 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00255217-01 196710924 tox21-ror-cho-viability-p1 set2 4 -3.93499944 -0.010147 -0.89558048 -0.12853295 -3.42854567 3.25954705 1.6907844 1.37140461 -0.4243586 2.16811985 0.9485343 0.67898457 1.57942372 0.80577651 1.5620941 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63133-74-4 113027 144212070 A A 2-(Ethyl(3-methylphenyl)amino)acetonitrile CCN(CC#N)c1cc(C)ccc1 Tox21_301753 -NCGC00164077-02 196708874 tox21-ror-cho-viability-p1 set2 4 0.0611305649 13.9397988 -7.4397988 6.5 0.2 0.577366628 0.115833315 -0.31501732 -7.866499 0.11868812 -1.49285998 -0.54434072 0.02023038 -0.12865465 0.3942655 2.7398558 1.1892716 0.99644729 1.20033042 5.3180662 4.44280854 2.82178175 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00259455-01 196708864 tox21-ror-cho-viability-p1 set2 4 48.8047419132 -17.911033152 -1.5 -19.411033152 2.4063783767 0.7371406859 0.0237390955 -2.59395186 -2.10881108 0.77305579 -8.15671755 -1.03578103 1.62591302 -2.95778381 -1.15440536 -2.92169442 -1.32429572 0.76665831 1.61020318 -1.04190888 -9.57877866 -16.17586096 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.625E-8 1.481E-7 3.3129999999E-7 7.407E-7 0.000001656 0.000003704 0.000008281 0.00001852 0.000041409999999 0.000092589999999 612-83-9 11933 144209104 A A 3,3'-Dichlorobenzidine dihydrochloride Cl.Cl.Nc1ccc(cc1Cl)c2ccc(N)c(Cl)c2 Tox21_201906 -NCGC00259167-01 196708872 tox21-ror-cho-viability-p1 set2 4 -1.23883858 -1.04758494 -0.72223681 -0.03230173 -0.04974482 -0.67560003 2.26442475 0.37513767 -0.67652647 2.07616322 1.67933219 4.05826875 2.61417807 4.87402701 3.43812671 1.166E-9 2.606E-9 5.8279999999E-9 1.303E-8 2.9139999999E-8 6.515E-8 1.457E-7 3.2579999999E-7 7.284E-7 0.000001629 0.0000036419999999 0.000008144 0.00001821 0.000040719999999 0.00009106 551-92-8 3090 144208816 A A 1,2-Dimethyl-5-nitroimidazole O=[N+]([O-])c1cnc(C)n1C Tox21_201618 -NCGC00259308-01 196708873 tox21-ror-cho-viability-p1 set2 4 2.12557441 2.30823479 2.04275323 2.32133104 0.03414378 -1.34336349 1.47437135 -0.09685439 0.48786743 -1.41294308 2.61939336 5.27461841 5.32309773 3.90858168 2.25323283 1.221E-9 2.7309999999E-9 6.107E-9 1.365E-8 3.053E-8 6.8269999999E-8 1.5269999999E-7 3.4139999999E-7 7.633E-7 0.000001707 0.000003817 0.000008534 0.000019079999999 0.00004267 0.00009541 96-05-9 7274 144208957 AC Fc Allyl methacrylate C=C(C)C(=O)OCC=C Tox21_201759 -NCGC00259453-01 196708886 tox21-ror-cho-viability-p1 set2 4 4.9200388546 -19.111418336 -5.228326864 -24.3397452 0.3 0.361061417 0.3094395117 -1.02360572 -9.05253245 -13.47453584 -21.533121 -6.56666075 -3.21322784 -6.88579105 -7.80039469 -11.31344341 -13.32481722 -16.64286635 -16.11739251 -17.36689051 -19.63707721 -16.5765547 1.193E-9 2.667E-9 5.9649999999E-9 1.3339999999E-8 2.982E-8 6.669E-8 1.491E-7 3.3339999999E-7 7.456E-7 0.0000016669999999 0.000003728 0.000008336 0.00001864 0.00004168 0.0000932 83-79-4 6758 144209102 A B Rotenone C=C(C)[C@@H]2Oc3ccc1C(=O)[C@H]4c5cc(OC)c(OC)cc5OC[C@H]4Oc1c3C2 Tox21_201904 -NCGC00258805-01 196709290 tox21-ror-cho-viability-p1 set2 4 -0.27659636 -2.77235312 -3.13853521 -1.96849993 -0.21413412 -1.58326163 -4.08585683 0.9692103 -0.34434119 -1.0206504 -2.13047164 -1.38124533 -1.48516318 -1.53150006 1.2776889 1.244E-9 2.782E-9 6.221E-9 1.391E-8 3.111E-8 6.956E-8 1.5549999999E-7 3.478E-7 7.7769999999E-7 0.000001739 0.000003888 0.000008694 0.00001944 0.000043469999999 0.000097209999999 3068-88-0 18303 144208451 D beta-Butyrolactone O=C1CC(C)O1 Tox21_201253 -NCGC00259241-01 196709296 tox21-ror-cho-viability-p1 set2 4 0.56760956 0.22207632 -1.32763046 1.64887884 -0.51156604 2.47401525 -1.20617189 -0.94791348 2.19717139 1.19938937 0.32347519 -0.29827045 2.11184986 1.89687064 -0.71084081 1.167E-9 2.609E-9 5.8329999999E-9 1.304E-8 2.917E-8 6.522E-8 1.458E-7 3.261E-7 7.2919999999E-7 0.0000016299999999 0.000003646 0.000008152 0.00001823 0.000040759999999 0.00009115 3622-84-2 19241 144208890 A A N-Butylbenzenesulfonamide O=S(=O)(NCCCC)c1ccccc1 Tox21_201692 -NCGC00259349-01 196706338 tox21-ror-cho-viability-p1 set1 4 0.7026706025 4.3889678599 -1.8889678599 2.5 4.9549173134 0.3868079514 0.3035103717 -2.12295714 -0.14382478 -1.47064661 -1.3952441 -1.29773465 -1.53575906 -3.05516138 -3.24080655 0.64118183 10.94316218 0.82033921 -0.6410181 -0.25896509 2.94195518 -0.24893624 1.204E-9 2.693E-9 6.0219999999E-9 1.346E-8 3.011E-8 6.732E-8 1.5049999999E-7 3.366E-7 7.527E-7 0.000001683 0.0000037639999999 0.0000084149999999 0.00001882 0.00004208 0.00009409 85-41-6 6809 144208998 A A Phthalimide O=C1NC(=O)c2ccccc12 Tox21_201800 -NCGC00259172-01 196706324 tox21-ror-cho-viability-p1 set1 4 1.566814187 8.278492648 -8.278492648 0 3.9899729863 0.6954966842 0.0404141073 -9.1711777 -11.62710659 -3.87445543 -13.56541054 -3.94273635 -9.40622466 -9.95683814 -5.39941964 -9.35105856 -3.04882797 0.75045227 0.01594003 -1.11503734 -1.47173715 0.70688687 1.1999999999E-9 2.684E-9 6.001E-9 1.3419999999E-8 3E-8 6.7089999999E-8 1.5E-7 3.3539999999E-7 7.5009999999E-7 0.000001677 0.0000037499999999 0.0000083859999999 0.00001875 0.00004193 0.00009376 620-17-7 12101 144208821 A A 3-Ethylphenol CCc1cc(O)ccc1 Tox21_201623 -NCGC00258993-01 196706326 tox21-ror-cho-viability-p1 set1 4 0.0015308469 -14.87171602 16 1.12828398 0.7999999999 0.5783775798 0.1142052627 12.01387257 7.90553054 -0.29214259 5.1737064 -0.95837308 4.36640463 2.70294684 3.42825576 -0.57591153 0 2.12623797 2.38701045 -1.55976335 0.05045527 2.79156732 1.177E-9 2.6319999999E-9 5.886E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.000003679 0.000008225 0.00001839 0.00004113 0.00009196 88-75-5 6947 144208640 D 2-Nitrophenol O=[N+]([O-])c1ccccc1O Tox21_201442 -NCGC00259187-01 196706334 tox21-ror-cho-viability-p1 set1 4 0.0529901524 11.9993103719 -11.4993103719 0.5 0.7999999999 0.7027213127 0.0370715332 -10.23175316 -8.96227406 -12.49942531 -9.1660775 -7.45673621 -3.49782207 2.32667024 -9.43819198 0.27545517 -0.55480448 1.69235444 1.18163701 -0.89912435 3.00331358 -1.30495376 1.1529999999E-9 2.579E-9 5.766E-9 1.289E-8 2.883E-8 6.447E-8 1.4419999999E-7 3.2229999999E-7 7.2079999999E-7 0.000001612 0.000003604 0.0000080589999999 0.00001802 0.000040289999999 0.0000901 85-01-8 995 144208836 A A Phenanthrene c2cc3ccc1ccccc1c3cc2 Tox21_201638 -NCGC00259844-01 196706738 tox21-ror-cho-viability-p1 set1 4 3.4376242854 -5.671755248 2.5 -3.171755248 3.9294729863 0.4723917214 0.2055316725 -0.34356995 -1.47056584 1.72940207 5.36667897 -0.1101906 4.66264646 1.69563673 2.63682941 1.22681759 8.1083144 -1.62573284 -2.98289734 -4.30979604 -0.46676644 -3.98269779 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.00001844 0.000041219999999 0.00009218 10605-21-7 25429 144209493 A A Carbendazim O=C(OC)Nc1nc2ccccc2n1 Tox21_202295 -NCGC00016000-13 196706740 tox21-ror-cho-viability-p1 set1 -2.1 70.1970324498 -108.8198294684 -9.059069212 -117.8788986804 3.1319983358 0.8998104036 0.0003246237 -10.19255415 -6.15119282 -12.87998406 -10.13945582 -11.68755681 -12.42794216 -7.03425788 -15.06836566 -12.80793572 -23.01052046 1.28849615 -20.37795983 -19.03925184 -24.68984036 -89.30219597 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00255834-01 196729193 tox21-ror-cho-viability-p1 set3 -1.1 1.2197151236 -88.698041217 1.0502803799 -87.6477608371 2.7202212143 0.9904743331 6E-10 0.56474179 -4.54675863 -1.49447392 -2.17840343 0.63031388 -0.38827856 5.42426852 0.68378428 -5.78498947 -65.25632197 -83.91737766 -84.33722294 -89.07292768 -88.96461554 -86.54899102 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-64-5 16683023 144212321 A Phenylmercuric lactate CC(O)C(=O)O[Hg]c1ccccc1 Tox21_302004 -NCGC00255611-01 196728758 tox21-ror-cho-viability-p1 set3 4 0.0544826733 4.6273958679 -0.6273958679 4 4.9549173134 0.3521244546 0.3363583442 2.52926631 -1.77282989 -0.72729699 -1.09190862 -1.64187955 2.60358433 9.61240526 8.21688816 3.43645733 -1.46518943 3.27895664 2.67434368 3.48655189 0.90939161 -0.51192889 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2495-39-8 23690996 144212122 Ac Ac 2-Propene-1-sulfonic acid, sodium salt [Na+].[O-]S(=O)(=O)CC=C Tox21_301805 -NCGC00256048-01 196728774 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -58.6383989318 -1.947832919 -60.5862318508 4.9549173134 0.9234621772 0.0000821255 -5.54670789 4.80671661 -1.8249531 3.13528757 -1.31531285 -1.20027774 0.89730579 -4.74939446 -2.35210839 -1.20906355 0.83319471 -8.82742944 -6.27478998 -5.20563168 -49.67161258 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16969-10-1 4443516 144212023 A A 2-Hydroxy-3-phenoxypropyl prop-2-enoate C=CC(=O)OCC(O)COc1ccccc1 Tox21_301706 -NCGC00256157-01 196728781 tox21-ror-cho-viability-p1 set3 4 0.31594977 -2.71890932 4.82209093 -0.30243741 0.83715805 -1.25144791 2.47934161 0.77686631 1.42920294 1.22967135 4.97307882 0.74204657 1.45383449 3.65108861 1.9056138 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52126-51-9 23695324 144211804 A Fc Sodium 5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate [Na+].O=S(=O)(O)c1ccc(cc1)N2N=C(CC2=O)C([O-])=O Tox21_301487 -NCGC00258693-01 196729591 tox21-ror-cho-viability-p1 set3 4 -6.8715664 1.44207032 -4.49178238 0.80686282 0.05632423 -1.07725301 0.22940845 -5.4900012 0.05896438 -3.68476327 -1.33294692 1.2570038 1.11841955 2.50898644 2.85508523 1.16E-9 2.594E-9 5.8009999999E-9 1.297E-8 2.901E-8 6.486E-8 1.45E-7 3.2429999999E-7 7.252E-7 0.000001622 0.0000036259999999 0.000008108 0.000018129999999 0.000040539999999 0.00009065 76-01-7 6419 144208339 A Ac Pentachloroethane ClC(Cl)C(Cl)(Cl)Cl Tox21_201141 -NCGC00258380-01 196729594 tox21-ror-cho-viability-p1 set3 4 0.68088385 -1.70203811 1.68415132 0.48201215 0.68615393 2.04505106 -1.82661766 0.06766504 -8.01881218 1.90252489 -1.42906434 -0.90214279 -2.13775139 1.18245601 0.62516043 1.198E-9 2.679E-9 5.991E-9 1.34E-8 2.996E-8 6.698E-8 1.4979999999E-7 3.3489999999E-7 7.4889999999E-7 0.000001675 0.000003745 0.000008373 0.000018719999999 0.000041859999999 0.000093609999999 79-41-4 4093 144208024 A A Methacrylic acid C=C(C)C(=O)O Tox21_200826 -NCGC00258420-01 196702009 tox21-ror-cho-viability-p1 set1 4 0.26183289 -1.54951045 -0.62631275 -1.84856727 1.13797537 1.55225295 -1.52955943 1.02953384 1.54958973 0.44667058 1.64023262 -3.9848525 -2.00536323 0.57998702 5.32159915 1.177E-9 2.6319999999E-9 5.8849999999E-9 1.316E-8 2.942E-8 6.579E-8 1.471E-7 3.29E-7 7.356E-7 0.000001645 0.0000036779999999 0.000008224 0.00001839 0.000041119999999 0.00009195 1552-42-7 73773 144208064 A A Crystal Violet lactone CN(C)c1ccc(cc1)C3(OC(=O)c2cc(ccc23)N(C)C)c4ccc(cc4)N(C)C Tox21_200866 -NCGC00258249-01 196702001 tox21-ror-cho-viability-p1 set1 4 1.5339689405 -12.4685330321 -3.9237924079 -16.39232544 0.3 0.3867148204 0.3038664962 -9.43281515 -7.13822345 -10.19656623 -4.50971117 -1.60316034 -6.63512149 -10.09602299 -5.37671113 -10.1321793 -10.38678389 -12.07757156 -13.6602712 -10.98546699 -12.60595975 -9.31538661 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.9479999999E-8 6.591E-8 1.474E-7 3.296E-7 7.369E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 244193-52-0 11460221 144207893 A A 1-Methyl-3-octylimidazolium tetrafluoroborate F[B-](F)(F)F.C[n+]1ccn(CCCCCCCC)c1 Tox21_200695 -NCGC00164077-02 196702003 tox21-ror-cho-viability-p1 set1 4 61.130564862 -12.63531008 2 -10.63531008 2.9522712143 0.5024629277 0.1780443991 7.53873665 1.72748676 1.95677485 -0.65218373 2.88329451 -0.93640246 1.89056526 5.24994601 -0.71773958 4.46455629 0.73194567 -1.90761321 2.1846293 -1.0121084 -7.6127584 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00257702-01 196702006 tox21-ror-cho-viability-p1 set1 4 0.0054648934 5.0336067559 -2.5336067559 2.5 4.9549173134 0.3401728496 0.3327022387 0.66584808 -6.27800563 0.93817262 1.76691133 0.41816088 5.07657442 1.50796601 3.26536109 5.95679343 0.79697535 -0.21468546 1.339234 7.83836342 0.99444684 1.27501682 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 25265-77-4 6490 144207346 AC 2,2,4-Trimethyl-1,3-pentanediol monoisobutyrate CC(C)(COC(=O)C(C)C)C(O)C(C)C Tox21_200148 -NCGC00254757-01 196699133 tox21-ror-cho-viability-p1 set1 4 1.80632832 -0.06068793 -2.93019618 0.01165502 -5.02407588 -4.24236951 1.99391651 0.7042573 -1.76962132 -6.789739 0.56390276 1.286486 -4.38890582 -5.00027641 -5.24530949 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63-25-2 6129 144211171 A A Carbaryl CNC(=O)Oc2cccc1ccccc12 Tox21_300854 -NCGC00254644-01 196699126 tox21-ror-cho-viability-p1 set1 4 15.3396894052 -12.3279134759 0.5 -11.8279134759 3.0654483358 0.9620035846 0.0000052448 0.47657214 -0.27840544 0.11083624 0.60505736 1.71312534 -0.20959957 -0.32493724 1.79721519 0.35263408 -0.71568146 0.65608035 -0.92432524 -7.27193488 -11.52326123 0.81894084 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 84087-01-4 91739 144211055 A A Quinclorac O=C(O)c1c(Cl)ccc2cc(Cl)cnc12 Tox21_300738 -NCGC00254305-01 196699127 tox21-ror-cho-viability-p1 set1 4 0.0233007937 -4.0286443319 -0.5 -4.5286443319 4.9549173134 0.3263146902 0.3458544485 -3.5819141 0.63197089 0.116068 1.55993245 -3.6687648 -7.69996746 -2.52461821 -3.04851473 -0.5821345 -9.60720361 -5.71919716 -6.68592453 -0.82507669 -5.23452856 -2.32829437 1.1379999999E-9 2.546E-9 5.692E-9 1.2729999999E-8 2.8459999999E-8 6.3639999999E-8 1.423E-7 3.182E-7 7.115E-7 0.0000015909999999 0.0000035579999999 0.000007955 0.000017789999999 0.00003978 0.00008894 4151-50-2 77797 144210695 Sulfluramid FC(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)NCC Tox21_300377 -NCGC00254838-01 196699129 tox21-ror-cho-viability-p1 set1 4 -6.7509632 -3.69428281 -3.9236438 0.70459593 -1.15404007 0.0142317 -3.76533075 -3.87501341 -0.93764862 -4.19291065 -3.5258289 -1.07275979 2.68143767 0.8379714 2.76147623 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-74-2 7675 144211253 F 2-(Pyridin-2-yl)ethanol OCCc1ccccn1 Tox21_300936 -NCGC00254812-01 196699134 tox21-ror-cho-viability-p1 set1 -2.2 59.0801055864 -46.119402511 -4.029653831 -50.149056342 2.4063783767 0.9167634917 0.0001271432 -3.72501768 -3.42137331 -5.5723198 -5.30305196 -2.01714471 -4.99705033 2.30482896 -3.68798312 -6.80643747 -8.42986022 -4.66394009 -7.3553998 -7.25621276 -13.29308978 -37.99170935 1.042E-9 2.3289999999E-9 5.2079999999E-9 1.165E-8 2.604E-8 5.8229999999E-8 1.302E-7 2.912E-7 6.511E-7 0.000001456 0.0000032549999999 0.0000072789999999 0.00001628 0.0000364 0.00008138 4574-04-3 20708 144211225 A A Myristyltrimethylammonium chlorideN,N,N-Trimethyltetradecan-1-aminium chloride [Cl-].C[N+](C)(C)CCCCCCCCCCCCCC Tox21_300908 -NCGC00254584-01 196699543 tox21-ror-cho-viability-p1 set1 4 -0.38242168 -0.49854811 0.05741905 -1.19966687 0.74362409 5.00243038 -0.77234651 0.6782599 -1.37911753 0.49001919 -1.43254193 5.81286145 -0.9983147 -0.3018174 -1.16026382 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-10-0 7542 144210993 Ac Fc Cloprop Clc1cc(OC(C)C(=O)O)ccc1 Tox21_300676 -NCGC00254465-01 196699547 tox21-ror-cho-viability-p1 set1 4 -1.45954484 -2.54338988 -2.8665421 -1.80169182 -3.76249562 -2.62002068 0.36971576 -0.73370942 -0.36778665 -2.3001984 -1.32320625 -7.84904914 0.31561075 0.32430709 -2.71982581 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 82469-79-2 133914 144210839 A A Butyryl trihexyl citrate O=C(OCCCCCC)C(CC(=O)OCCCCCC)(CC(=O)OCCCCCC)OC(=O)CCC Tox21_300521 -NCGC00164164-02 196700364 tox21-ror-cho-viability-p1 set1 4 -1.43849988 -1.51098919 -4.48462886 -4.412986 -1.09876901 -0.28203425 0.27302559 1.01474983 1.85221705 -0.83464283 -0.68458988 -0.85268906 1.69773559 1.92599001 1.73178125 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00253658-01 196723150 tox21-ror-cho-viability-p1 set3 1.4 2.1131682429 24.710415252 -0.210415252 24.5 3.1319983358 0.9787095551 6.83E-8 -0.94472045 1.6412842 -1.84201271 -1.59565753 2.12057446 -1.58223383 0.51925829 -1.15528913 -0.5948211 2.15565577 9.35639269 24.14305054 24.95687321 25.26568975 21.26191583 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 119356-77-3 71353 170466555 A F Dapoxetine CN(C)[C@@H](CCOc2cccc1ccccc12)c3ccccc3 Tox21_113784 -NCGC00260391-01 196723964 tox21-ror-cho-viability-p1 set3 4 1.8670412235 14.8439212599 -8.8439212599 6 1.01 0.6433955184 0.0681641009 -6.42019204 -9.53102998 -4.02255102 -10.89076475 -10.48045539 -11.10074484 -2.12245261 -12.72627935 -14.03660105 -3.84171968 1.41230122 -4.9474089 2.42147842 2.90049059 5.94210885 2.992E-10 6.6909999999E-10 1.4959999999E-9 3.346E-9 7.481E-9 1.6729999999E-8 3.74E-8 8.364E-8 1.87E-7 4.1819999999E-7 9.351E-7 0.000002091 0.000004676 0.000010449999999 0.000023379999999 544-77-4 11007 144210043 Fc 1-iodohexadecane CCCCCCCCCCCCCCCCI Tox21_202845 -NCGC00261974-01 196697792 tox21-ror-cho-viability-p1 set1 4 1.88338821 0.51191629 3.21906147 0.23220021 -3.79449589 -3.31913729 -1.76068844 -0.04707384 1.46684054 -5.37628196 -1.85391353 0.19279214 1.72441876 1.18551259 0.56958022 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15351-09-4 71872 170466582 A F Metamfepramone O=C(C(C)N(C)C)c1ccccc1 Tox21_113894 -NCGC00091532-04 196697798 tox21-ror-cho-viability-p1 set1 -2.1 61.8773215692 -81.7142484725 4.5838643865 -77.130384086 3.2974983358 0.9709960753 4.007E-7 5.05620695 7.53687927 7.088762 2.8180816 7.99666372 0.07878856 5.87141714 7.87661532 2.29871627 3.07212949 0.3201142 7.00031953 -1.81989682 -11.74478031 -60.32604855 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00159460-04 196722741 tox21-ror-cho-viability-p1 set3 4 0.5955717307 12.6361778119 -1.6361778119 11 4.9549173134 0.7049248121 0.0359536568 3.37290164 2.84487314 -0.17644849 -4.47969077 -12.61348151 0 0 0 -5.1580346 11.20541882 12.38573463 9.67406142 7.67246386 10.33895332 12.78777458 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 157810-81-6 5462355 170465228 A Indinavir sulfate O[C@H](CN1CCN(C[C@H]1C(=O)NC(C)(C)C)Cc2cccnc2)C[C@@H](Cc3ccccc3)C(=O)N[C@H]4c5ccccc5C[C@H]4O.O=S(=O)(O)O Tox21_111687_1 -NCGC00091839-03 196723142 tox21-ror-cho-viability-p1 set3 -2.4 68.5896218971 -41.290903675 3.5 -37.790903675 4.0449729863 0.6861050922 0.0445226232 -2.92700774 -2.49345803 6.11291952 -1.96648038 7.20428105 5.6097109 -0.24649907 5.82892078 11.35895628 3.76785479 12.8386473 7.11667205 -7.22434964 -0.1937319 -28.08233765 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00179380-04 196723145 tox21-ror-cho-viability-p1 set3 -2.4 0.1059092946 -24.187746376 13.5 -10.687746376 1.0999999999 0.8873219124 0.0010027843 12.84856914 11.3518276 14.72637172 10.08516001 14.90063137 13.07441568 -3.72094985 -0.95270745 -2.0678975 -10.70635989 -4.7061094 -15.57312198 -10.90131671 -9.95664755 5.41587862 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7414-83-7 23894 170464730 F Etidronate disodium [Na+].[Na+].CC(O)(P(O)([O-])=O)P([O-])(=O)O Tox21_111596_1 -NCGC00183029-02 196723159 tox21-ror-cho-viability-p1 set3 4 26.6032120037 15.950463364 0.049536636 16 0.4 0.360351733 0.3109637247 0.3466144 -0.32356176 -1.15246838 3.10091036 -1.56414025 0.88079709 4.4092543 4.70934762 -1.0754756 11.58542767 -2.45871947 2.89567454 4.13915679 12.70868469 7.75875293 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 30751-05-4 5597 170465889 A Troxipide O=C(NC1CCCNC1)c2cc(OC)c(OC)c(OC)c2 Tox21_113383_1 -NCGC00095107-09 196723573 tox21-ror-cho-viability-p1 set3 4 0.0118832183 8.3309626239 -7.3309626239 1 4.9549173134 0.3323670039 0.3368138595 0.8616345 0.24184742 -22.35913552 -7.01890422 -0.65259195 0 0 -0.90066155 0.48915843 -1.0926283 2.30012389 2.0442387 0.95525164 1.74387986 5.71043543 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21187-98-4 3475 170465698 A Gliclazide Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2 Tox21_110590_1 -NCGC00356994-01 196723967 tox21-ror-cho-viability-p1 set3 4 0.0216899429 7.9771048159 -5.4771048159 2.5 4.9549173134 0.7101722318 0.0422654386 -7.41139499 -2.68883694 -4.82134 -7.48092068 3.09266683 0.32174863 2.80174263 1.75680333 2.29763204 -0.59257914 2.11146791 2.34217411 8.48633044 2.18975764 -20.69999879 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 580-51-8 11381 251919669 A 3-Phenylphenol Oc1cc(ccc1)c2ccccc2 Tox21_303813 -NCGC00164515-02 196697814 tox21-ror-cho-viability-p1 set1 4 -2.2951116 0.44527194 -0.48845557 0.36958296 -0.65012491 -1.14185242 -5.00970074 -0.25943097 -3.24473109 -0.44988978 -1.41965088 -0.96180812 -2.36649639 -0.59026513 -0.26060917 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 115-24-2 8262 170466821 F Sulfonmethane CC(C)(S(=O)(=O)CC)S(=O)(=O)CC Tox21_112150_1 -NCGC00249912-01 196697826 tox21-ror-cho-viability-p1 set1 4 26.6032120037 -15.043401816 -0.5 -15.543401816 3.9899729863 0.7567422742 0.0177568569 1.04346367 5.18427884 -1.483628 -1.29149783 -3.82789239 0.71767399 -1.16858092 -0.9628649 -1.80394079 -2.28625566 0.29052266 -0.16840573 0.48591242 -4.57493471 -13.78616818 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23779-99-9 3360 170465681 I F Floctafenine OCC(O)COC(=O)c3ccccc3Nc1ccnc2c(cccc12)C(F)(F)F Tox21_113688 -NCGC00255778-01 196710135 tox21-ror-cho-viability-p1 set2 4 -7.1460773 1.56111404 0.07766973 -0.61342167 -5.40782041 -5.24308009 1.96375915 -3.27181583 -0.35570563 0.99332159 -1.48310421 1.57080202 0.92119115 1.20667524 0.36849453 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 591-31-1 11569 144212453 A A 3-Methoxybenzaldehyde COc1cc(C=O)ccc1 Tox21_302136 -NCGC00255584-01 196710118 tox21-ror-cho-viability-p1 set2 4 0.14204823 -0.59072099 0.93110883 0.04156615 1.07388231 2.4552823 -1.93668745 5.05869472 4.92276284 -0.88860882 4.75452863 -2.49601242 5.04018713 -0.8948264 1.28077597 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1444-64-0 15046 144212259 D A 2-Phenylcyclohexanol OC2CCCCC2c1ccccc1 Tox21_301942 -NCGC00256030-01 196710129 tox21-ror-cho-viability-p1 set2 4 -1.28890447 1.88606444 -6.79049898 1.39987269 -1.82846547 -0.45955311 2.80320735 -0.53540618 3.06908908 0.24550903 0.30524204 -4.76344507 2.48322833 1.57338589 -6.1781201 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13708-12-8 61670 144212599 A Fns 5-Methylquinoxaline Cc1cccc2nccnc12 Tox21_302282 -NCGC00255912-01 196710531 tox21-ror-cho-viability-p1 set2 4 0.68686467 2.1700332 0.53669447 2.89558285 0.66748305 -0.25889836 0.78339127 0.99695861 0.75855282 0.83572744 -0.4154535 0.31102859 1.32936567 0.76345623 3.8526728 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1937-19-5 2734687 144212415 A Aminoguanidine hydrochloride Cl.N=C(N)NN Tox21_302098 -NCGC00255159-01 196710536 tox21-ror-cho-viability-p1 set2 4 0.019331182 14.442679348 -13.442679348 1 0.2 0.5186348218 0.1643844694 -6.79931944 -9.95223279 -7.1489356 -7.96787029 -3.11360455 -4.37109218 -3.87276045 -4.9405982 -2.05650117 -6.48039714 -2.94885721 -5.71288331 0.40673097 1.9880656 -3.29863087 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-44-5 5281515 144211814 A Fns beta-Caryophyllene C=C2CCC=C(C)CC[C@@H]1[C@@H]2CC1(C)C Tox21_301497 -NCGC00090750-04 196710538 tox21-ror-cho-viability-p1 set2 4 55.1482208978 -14.387263464 -1.5 -15.887263464 3.0654483358 0.793216262 0.009324425 -2.98544535 -1.20973303 -2.24480022 0.12423144 -0.36797067 -2.01428556 -2.44212158 -5.70238968 -1.66711426 -1.27833252 -0.98761168 -1.69644108 1.04222393 -6.58850664 -13.23938622 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00256170-01 196710542 tox21-ror-cho-viability-p1 set2 4 0.52861225 1.11376956 2.1377041 -1.00668329 -2.08069903 0.99224569 3.23141302 4.31821269 -0.40984088 0.34990933 2.44904892 -0.23296464 -1.58194883 3.17660486 -0.70659336 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-36-1 66638 144211598 A B 4-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid O=S(=O)(O)c1ccc(cc1)N2N=C(C)CC2=O Tox21_301281 -NCGC00255607-01 196710943 tox21-ror-cho-viability-p1 set2 4 43.2771256911 -13.031046924 2.5 -10.531046924 0.4 0.594062699 0.1028302079 1.52424627 5.40501203 0.92916459 1.97564148 1.79157558 1.13726277 0.87048942 0.13361316 0.42653589 0.78001704 -5.21558786 0.5055462 1.18883658 -4.97207652 -7.10920577 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65733-16-6 1711973 144211726 Cc F S-Methoprene CC(C)OC(=O)\C=C(/C)\C=C\C[C@@H](C)CCCC(C)(C)OC Tox21_301409 -NCGC00091650-03 196710951 tox21-ror-cho-viability-p1 set2 4 1.12292459 -0.63134598 -3.01647927 -1.63401111 -7.48416382 -3.51951377 -4.45272723 -4.47879758 1.31835827 1.06000011 -2.30936779 1.16544093 0.81611188 0.75176908 -10.62674318 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00255565-01 196710961 tox21-ror-cho-viability-p1 set2 4 1.87225388 2.29064974 1.2255424 -0.14439313 1.13947052 0.66346751 -1.37328519 3.26727217 0.79944281 0.02204912 2.8466436 -1.65356357 -0.11003661 -1.79453626 3.35769292 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-68-2 41690 144212196 A Ac 4-Cyclohexylcyclohexanone O=C1CCC(CC1)C2CCCCC2 Tox21_301879 -NCGC00255288-01 196710964 tox21-ror-cho-viability-p1 set2 4 61.130564862 15.0045375159 -0.0045375159 15 2.9522712143 0.8120942214 0.0062563243 3.04284271 1.42289745 -1.19823698 -1.67044793 1.95923185 -1.47054823 -1.04696554 0.28533711 -0.77779375 -1.54621411 0.0684125 0.70704939 2.18591828 3.22985775 11.51120321 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-40-3 674 144212756 Dimethylamine CNC Tox21_302439 -NCGC00357100-01 196711358 tox21-ror-cho-viability-p1 set2 4 8.6349217992 -33.8102579439 2 -31.8102579439 0.4 0.6380863809 0.0834850293 1.60551091 1.05707243 -0.65018073 -0.12944826 0.57013722 0 -7.49122871 -6.35399193 -15.29577548 -7.82171214 -9.40964138 0 -24.08676482 -24.84188162 3.79445288 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-78-4 8011 251919685 A 3-Hydroxypropanenitrile N#CCCO Tox21_303822 -NCGC00257471-01 196707651 tox21-ror-cho-viability-p1 set1 4 21.6899429044 14.4982389999 -1.9982389999 12.5 4.5044702849 0.8916164153 0.0004850861 -2.46317293 -2.04563073 -1.10517446 -4.15063349 0.05299551 -1.8293908 -2.99098615 -1.25156782 -0.82989153 -1.75894694 0.88555804 -6.2485325 3.0920971 10.84560673 13.39035922 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81-90-3 66494 144213949 A A Phenolphthalin Oc1ccc(cc1)C(c2ccccc2C(=O)O)c3ccc(O)cc3 Tox21_303646 -NCGC00256137-01 196728442 tox21-ror-cho-viability-p1 set3 4 1.52108368 -2.02076774 -6.26765068 -7.53423312 -4.49739578 -0.80779267 3.52929609 -5.19854862 -5.08905124 -3.30921895 1.7119258 -1.97312403 -5.52915202 -0.27550516 0.59247115 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 765-12-8 3033992 144212025 A Ac 3,6,9,12-Tetraoxatetradeca-1,13-diene C=COCCOCCOCCOC=C Tox21_301708 -NCGC00255837-01 196728435 tox21-ror-cho-viability-p1 set3 4 0.04774211 -4.82740059 -1.78310587 -4.37553691 -0.99201248 -0.7860021 0.20730997 2.54414478 1.73448768 3.02757147 3.35026708 -2.72424747 -5.97250684 0.80430952 -2.32624889 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-89-8 7465 144211640 A A 4-Isopropylphenol CC(C)c1ccc(O)cc1 Tox21_301323 -NCGC00257545-01 196728436 tox21-ror-cho-viability-p1 set3 4 -1.22240487 -3.70838369 -7.7606994 -1.42389346 3.07514323 6.68934788 -8.61524141 5.89193097 -8.73255422 -9.34182662 9.30696911 -7.33164193 -10.00786618 -6.40904391 -6.09844391 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 137-00-8 1136 144212504 A A Thiamine thiozole OCCc1scnc1C Tox21_302187 -NCGC00255238-01 196728438 tox21-ror-cho-viability-p1 set3 4 0.3624151 6.98984399 3.47298757 0.65012901 8.72709342 3.10229484 4.6175287 2.65083284 2.85906376 4.52491339 2.37720289 1.21619849 1.38654162 1.38977284 0.56041267 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1941-30-6 74745 144211821 A A Tetrapropylammonium bromide [Br-].CCC[N+](CCC)(CCC)CCC Tox21_301504 -NCGC00255635-01 196728842 tox21-ror-cho-viability-p1 set3 4 6.1130564862 9.754745432 -2.754745432 7 4.9549173134 0.3639911102 0.3225489642 0.67513403 -4.31286325 -2.84724668 -2.53124481 -7.4418809 7.62729712 5.36923904 -3.37009404 -7.99055512 -7.61188066 -8.96228786 10.16764899 7.00294431 3.41314385 -3.25332205 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5205-93-6 78882 144211988 A A N-[3-(Dimethylamino)propyl]methacrylamide CN(C)CCCNC(=O)C(=C)C Tox21_301671 -NCGC00090858-02 196702046 tox21-ror-cho-viability-p1 set1 4 10.8707224818 -28.5890117759 -4 -32.5890117759 0.4 0.6203058642 0.0827832899 -3.49333229 -12.36268528 -6.22281255 -1.37252038 -10.60067966 -7.70092779 -16.18705766 -10.19696164 0.75851266 -10.63542488 -17.94301453 -18.96194346 -20.1709264 -22.90190311 -23.82417648 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00257853-01 196702037 tox21-ror-cho-viability-p1 set1 4 -3.54508961 0.29191386 0.12618946 -0.51697567 -0.89510782 -0.67997464 0.2380924 3.18730002 2.75737538 -1.70833995 0.512365 0.91845196 -0.4369634 -1.8389674 2.49854334 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1684-40-8 2723754 144207497 A A 1,2,3,4-Tetrahydro-9-acridinamine hydrochloride Cl.Nc1c3ccccc3nc2CCCCc12 Tox21_200299 -NCGC00258006-01 196702042 tox21-ror-cho-viability-p1 set1 4 0.05318818 1.60378432 1.79967987 2.33303047 1.37716962 1.1577398 3.01634851 -13.58795214 4.57806977 3.52636531 2.41508179 0.74646589 0.33010959 1.81858125 2.43267438 1.1689999999E-9 2.6129999999E-9 5.843E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.461E-7 3.2659999999E-7 7.3029999999E-7 0.0000016329999999 0.000003652 0.0000081649999999 0.00001826 0.000040829999999 0.00009129 939-97-9 70324 144207650 A Fns 4-tert-Butylbenzaldehyde CC(C)(C)c1ccc(C=O)cc1 Tox21_200452 -NCGC00258221-01 196702045 tox21-ror-cho-viability-p1 set1 4 -12.04171521 -8.3525367 -7.37400251 -5.04078217 -10.12598124 -8.10631825 -14.51523712 -11.73085972 -9.83472674 -10.65304052 -14.57660512 -10.03380053 -6.11093655 -7.05905171 -5.08722468 1.166E-9 2.6069999999E-9 5.829E-9 1.303E-8 2.9139999999E-8 6.517E-8 1.457E-7 3.2579999999E-7 7.286E-7 0.000001629 0.0000036429999999 0.000008146 0.00001821 0.00004073 0.00009107 7581-97-7 24233 144207865 FC 2,3-Dichlorobutane CC(Cl)C(C)Cl Tox21_200667 -NCGC00257938-01 196702440 tox21-ror-cho-viability-p1 set1 -2.2 38.6492412053 -54.6130673327 -6.778366305 -61.3914336377 0.7999999999 0.8853532522 0.0006321373 -8.84896542 -4.1869557 -3.82633211 -7.91456416 -11.56417054 -7.38774214 -8.47895204 -5.8380342 -1.73275482 -11.76831017 -19.48280196 -23.31095896 -21.9042849 -27.91626996 -48.72336003 1.182E-9 2.6429999999E-9 5.9109999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.304E-7 7.3889999999E-7 0.0000016519999999 0.0000036939999999 0.000008261 0.000018469999999 0.000041299999999 0.000092359999999 97-18-7 2406 144207582 A A Bithionol Oc2c(Sc1cc(Cl)cc(Cl)c1O)cc(Cl)cc2Cl Tox21_200384 -NCGC00257747-01 196702443 tox21-ror-cho-viability-p1 set1 -2.4 61.7527572729 -33.89100476 2.5 -31.39100476 3.6772481694 0.881427639 0.000746995 3.23195832 -0.54620146 1.81265754 6.74364627 -1.1056573 1.45330194 0.3504727 -0.95769726 3.27958685 4.53861137 7.79342307 0.30838303 3.04264725 -3.73172775 -25.3258373 1.19E-9 2.6619999999E-9 5.951E-9 1.331E-8 2.976E-8 6.654E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.00000372 0.000008317 0.0000186 0.00004159 0.000092989999999 69669-44-9 23707968 144207391 FC Benzenesulfonic acid, C10-14-alkyl derivs., sodium salts [Na+].O=S([O-])(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_200193 -NCGC00183002-01 196698311 tox21-ror-cho-viability-p1 set1 4 0.28104145 0.45439809 3.74593056 1.0544962 2.67949235 1.6750095 4.1202192 -0.88282299 -0.67496991 3.14428269 3.51457154 2.03277255 1.81876136 2.81984867 -0.00975213 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7296-30-2 636399 144206874 Ac Fns Safrazine hydrochloride Cl.CC(NN)CCc1ccc2OCOc2c1 Tox21_113323 -NCGC00260478-01 196724069 tox21-ror-cho-viability-p1 set3 -1.2 6.8729149849 -39.861190875 4.5 -35.361190875 1.111 0.9506563085 0.0000078238 -3.73583764 0.89103048 4.70054413 4.93585328 8.42855012 5.61027412 6.08486619 6.06314781 2.04891009 -3.67016978 -7.01401283 -20.31620813 -23.53241746 -28.14745957 -36.09458717 1.182E-9 2.644E-9 5.9109999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.305E-7 7.3889999999E-7 0.0000016519999999 0.0000036949999999 0.000008261 0.000018469999999 0.00004131 0.000092359999999 16423-68-0 27872 144210130 F FD&C Red 3 [Na+].[Na+].[O-]C(=O)c4ccccc4C=2c3cc(I)c([O-])c(I)c3OC=1C=2C=C(I)C(=O)C=1I Tox21_202932 -NCGC00271749-02 196697908 tox21-ror-cho-viability-p1 set1 4 3.14452029 3.62921562 0.37382187 2.77899032 3.02718495 2.39889526 2.34969389 2.71844981 3.20664406 3.47936876 7.30050593 7.86917828 3.58342417 6.1708228 5.14794002 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 186826-86-8 101526 170465209 A Moxifloxacin hydrochloride Cl.O=C(O)C2=CN(c1c(OC)c(c(F)cc1C2=O)N3C[C@@H]4CCCN[C@@H]4C3)C5CC5 Tox21_111439_1 -NCGC00022680-05 196697914 tox21-ror-cho-viability-p1 set1 4 37.5780357627 -10.393230652 1.5 -8.893230652 4.9549173134 0.6032222289 0.0970125845 1.40845358 -0.14976406 0.74494363 1.85859082 -0.35657662 1.63047289 0.53596435 4.55221684 4.98749253 -0.3973933 3.15629592 2.27986545 -0.51712534 1.3132784 -6.57769221 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 302-22-7 9324 170465776 A Chlormadinone acetate CC(=O)[C@@]3(OC(C)=O)CC[C@H]2[C@@H]4C=C(Cl)C1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_110881_1 -NCGC00161670-06 196698315 tox21-ror-cho-viability-p1 set1 4 5.9557173066 13.3066133959 -3.3066133959 10 0.5 0.6045785244 0.0943001504 -2.49485147 -2.4429852 -6.92217783 -0.44819862 -1.54726725 -3.37046322 -0.87197562 -1.87924743 -1.3253059 -0.34586598 -0.14627607 9.07717922 -1.58444375 5.10786327 8.86133356 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26305-03-3 5478883 170466543 A Pepstatin OC(=O)C[C@H](O)[C@@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)CC(C)C Tox21_111747_1 -NCGC00018172-09 196698327 tox21-ror-cho-viability-p1 set1 4 0.68803552 -0.01701964 2.25984649 1.45440151 0.45800611 2.46183682 0.55242868 0.99464744 1.47655431 -0.51266827 4.34355902 0.97127133 3.02374465 2.67476641 4.23581326 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26807-65-8 3702 170465366 A Indapamide NS(=O)(=O)c1cc(ccc1Cl)C(=O)NN2c3ccccc3CC2C Tox21_110775_1 -NCGC00254279-01 196699480 tox21-ror-cho-viability-p1 set1 4 -0.20901674 1.6259594 2.21022309 1.31034418 0.72514299 0.23017935 4.40201081 4.74164536 5.57330375 -0.83295858 1.25427113 1.3099973 4.61726973 -0.1914723 3.8009001 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6624-73-3 243694 144210842 A A Pentane-1,5-diyl dibenzoate O=C(OCCCCCOC(=O)c1ccccc1)c2ccccc2 Tox21_300524 -NCGC00255082-01 196699080 tox21-ror-cho-viability-p1 set1 4 36.617958842 9.9287183639 -0.9287183639 9 1.55794881 0.5886882721 0.1067934215 0.58109235 -4.52393197 0.42297108 -4.36395907 -1.03340901 -0.03967173 2.43798368 -0.63345531 -2.76441976 0.00448982 -3.41404985 1.17225565 2.78308994 2.26206706 8.29690259 1.1299999999E-9 2.527E-9 5.651E-9 1.264E-8 2.8249999999E-8 6.318E-8 1.413E-7 3.159E-7 7.064E-7 0.0000015789999999 0.000003532 0.0000078969999999 0.00001766 0.00003949 0.00008829 199119-58-9 23676736 144211501 A D Trifloxysulfuron-sodium [Na+].O=S(=O)([N-]C(=O)Nc1nc(OC)cc(OC)n1)c2ncccc2OCC(F)(F)F Tox21_301184 -NCGC00254362-01 196699479 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -17.9621816479 1.5 -16.4621816479 4.9549173134 0.7876012354 0.010328194 3.78503997 3.26134957 -1.07072795 3.03968611 3.63718913 3.69716985 2.49246648 -0.54649721 -0.36812036 3.10461505 0.834926 -1.56173463 -0.85121351 1.48448103 -13.30181804 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 668981-02-0 9949821 144210775 A A CP-863187 CC(C)c2nnc1ccc(cn12)c4ocnc4c3cc(F)ccc3F Tox21_300457 -NCGC00254841-01 196699482 tox21-ror-cho-viability-p1 set1 4 48.5577336745 8.774916884 -5.774916884 3 1.21 0.384587036 0.2901004772 -9.02598409 -8.91549878 -4.56891971 -4.01078216 -7.56223685 -6.96282569 -0.50216008 -3.34674163 -9.39576407 -5.76161463 -5.10871182 -2.79478158 -4.89861446 -2.18037907 0.93046123 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108419-33-6 22833466 144211256 B F Acetic acid, C8-10-branched alkyl esters, C9-rich O=C(C)OCCC(C)C(CC)CC Tox21_300939 -NCGC00016438-04 196698255 tox21-ror-cho-viability-p1 set1 4 0.32772609 -0.46659309 -3.38370437 -3.37063915 0.28331908 1.99978358 0.26081672 -0.07051721 0.48091127 3.53565282 3.22101038 0.13877734 3.54101131 3.4612056 2.01137935 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 366-70-1 9703 170465402 A Procarbazine hydrochloride Cl.CC(C)NC(=O)c1ccc(CNNC)cc1 Tox21_110439_1 -NCGC00164499-03 196697844 tox21-ror-cho-viability-p1 set1 4 1.82392243 -0.7486039 -4.56777749 -2.61913075 -0.55387662 1.43133071 0.91934325 2.27180852 -1.1357749 2.99481593 -0.43831028 0.95865621 -0.46866818 0.38768484 1.92099335 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 43119-47-7 27990 170465780 F DL-alpha Tocopheryl nicotinate CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc3c(O1)c(C)c(C)c(OC(=O)c2cccnc2)c3C Tox21_112137_1 -NCGC00166020-03 196697846 tox21-ror-cho-viability-p1 set1 4 21.1316824289 7.1128488599 -1.1128488599 6 3.9899729863 0.569653347 0.1232365212 -0.63514236 -1.29273664 0.23098514 -0.6568875 1.8044924 0.24810972 -2.58641054 0.08357379 -4.67737405 -1.89770863 -0.50832037 0.2108016 -3.08917112 2.58947273 5.58107342 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 886-86-2 261501 170465717 A Ethyl 3-aminobenzoate methanesulfonic acid salt Nc1cc(ccc1)C(=O)OCC.CS(=O)(=O)O Tox21_112290_1 -NCGC00018241-07 196697860 tox21-ror-cho-viability-p1 set1 4 -1.37565868 -2.25889923 -1.76711034 -1.22592423 0.59901888 -1.50236136 0.96120404 -1.22088849 -1.76930413 0.98846193 1.98507557 0.93572607 0.4343475 1.13318888 0.71575496 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3440-28-6 71651 170466040 A Betamipron O=C(NCCC(=O)O)c1ccccc1 Tox21_110845_1 -NCGC00344524-01 196698256 tox21-ror-cho-viability-p1 set1 -2.1 29.8492948118 -102.7341417671 -2.110870939 -104.8450127061 3.2474983358 0.9877234488 2.8E-9 -6.18722901 -1.99768323 1.28264733 -3.68635388 -2.71299266 0.23194482 -4.50182922 -4.79153369 0.28525374 -2.22310405 -0.28624544 -0.47862665 -8.5348172 -24.50167335 -84.82606206 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122-18-9 31202 170465465 A Benzylhexadecyldimethylammonium chloride [Cl-].C[N+](C)(Cc1ccccc1)CCCCCCCCCCCCCCCC Tox21_112574_1 -NCGC00091057-05 196698258 tox21-ror-cho-viability-p1 set1 4 -2.76445618 -1.07902474 -5.80099022 -4.11393992 -5.30764667 -6.3339358 -4.20749703 -1.1127402 -6.19289646 -3.26528004 -2.67143342 -4.15582427 -1.96548586 -1.96196106 -0.304332 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 22888-70-6 31553 170466469 A Silybin Oc4cc(O)cc5O[C@H](c1ccc2O[C@H](CO)[C@H](Oc2c1)c3ccc(O)c(OC)c3)[C@@H](O)C(=O)c45 Tox21_111070_1 -NCGC00177986-02 196698276 tox21-ror-cho-viability-p1 set1 4 0.37349028 4.46938822 0.90568736 -0.23971863 3.02176219 0.12869822 1.02502844 -0.2400654 0.58844643 -0.4567217 -0.40728123 1.32219394 1.6484083 -0.3064808 0.2088306 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 70458-95-6 119525 170466290 Ac Pefloxacin CN1CCN(CC1)c2cc3N(CC)C=C(C(=O)O)C(=O)c3cc2F.CS(=O)(=O)O Tox21_111458_1 -NCGC00254476-01 196698673 tox21-ror-cho-viability-p1 set1 4 2.32429018 1.28023169 0.81238072 -5.17501634 1.49200849 -1.15099604 -0.17638347 8.13632996 1.61001274 -0.37501605 0.88283756 -4.52179694 0.68008827 2.90654586 2.2427547 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-62-7 7450 144210680 CC 1,3-Diisopropylbenzene CC(C)c1cccc(c1)C(C)C Tox21_300362 -NCGC00163818-04 196712206 tox21-ror-cho-viability-p1 set2 4 3.00740558 -1.63089439 -1.8441523 1.37232742 -1.7260736 -0.04959967 -0.20345456 0.06803854 2.05138541 -3.02502801 -3.27641662 -1.83632333 0.7902483 -1.19556113 -1.14061064 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00091499-05 196709307 tox21-ror-cho-viability-p1 set2 4 5.47892468 -0.08451242 -1.09202284 0.88946999 4.85197728 2.66048251 5.29216088 0.50898873 1.76973597 3.21760959 2.43998339 -1.27834918 -0.64635446 2.01913708 -1.59030397 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00259955-01 196708906 tox21-ror-cho-viability-p1 set2 4 -0.00091731 -0.06930662 2.44526607 0.87462772 -0.09062256 0.75367208 0.02906393 -0.31799816 0.50325424 -0.50262959 0.82769766 1.09949032 2.14502259 1.96197699 3.53798284 1.19E-9 2.661E-9 5.949E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003718 0.000008314 0.00001859 0.00004157 0.000092959999999 108-83-8 7958 144209604 AC Ac Diisobutyl ketone CC(C)CC(=O)CC(C)C Tox21_202406 -NCGC00259782-01 196708910 tox21-ror-cho-viability-p1 set2 4 4.98457627 1.6585914 3.30982836 1.12469455 -0.38800246 4.18805149 3.48412524 4.86671986 3.57590675 7.20946902 6.90015125 4.87115898 4.41435702 4.87227741 1.3727031 1.177E-9 2.631E-9 5.884E-9 1.316E-8 2.942E-8 6.578E-8 1.471E-7 3.289E-7 7.354E-7 0.000001645 0.0000036769999999 0.000008223 0.00001839 0.00004111 0.00009193 117-84-0 8346 144209431 A A Dioctyl phthalate O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCC Tox21_202233 -NCGC00163906-02 196708913 tox21-ror-cho-viability-p1 set2 4 1.43271255 -1.31413651 -1.45184649 -4.72548206 -0.8352205 0.22116399 -3.91762173 -3.37793755 -1.17388119 -3.75322062 -0.00659053 -3.22108076 -1.2032084 -2.76439254 0.13199973 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00259704-01 196709317 tox21-ror-cho-viability-p1 set2 4 48.3109346869 8.5007028399 -1.5007028399 7 1.0999999999 0.6035032828 0.0975592792 -0.8305174 -1.8536841 -3.3442761 -5.0005857 -2.16598745 -1.15855615 0.87802546 -0.83579551 -2.13951929 -1.05075375 0.81823407 -0.19483059 -0.04027901 0.79034051 5.69009971 1.175E-9 2.626E-9 5.873E-9 1.3129999999E-8 2.936E-8 6.566E-8 1.468E-7 3.2829999999E-7 7.341E-7 0.000001641 0.0000036699999999 0.000008207 0.00001835 0.00004104 0.00009176 7632-00-0 23668193 144209353 Sodium nitrite [Na+].[O-]N=O Tox21_202155 -NCGC00258883-01 196709745 tox21-ror-cho-viability-p1 set2 4 0.02446298 -3.20655665 -1.54292306 -3.44027531 1.80118871 -0.25123055 -3.43457571 -0.69177081 -1.66025438 1.42140138 0.72788926 1.1315287 2.49056281 -0.04395009 -0.869822 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.311E-7 7.405E-7 0.000001656 0.000003702 0.000008279 0.00001851 0.00004139 0.00009256 63-74-1 5333 144208529 A A Sulfanilamide Nc1ccc(cc1)S(=O)(N)=O Tox21_201331 -NCGC00163919-02 196710143 tox21-ror-cho-viability-p1 set2 4 -3.61254814 -0.89920988 -0.82499854 -0.38788715 -0.20391001 4.60952375 0.58525253 -0.5189056 3.97534995 2.80501567 -0.50657175 -0.36316231 4.30731717 -0.60025524 -3.17148529 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00255350-01 196710146 tox21-ror-cho-viability-p1 set2 4 5.04495404 -0.54562529 -0.29308403 -0.92109158 -0.34628334 -1.27870224 0.02945797 -0.67940855 -1.63660914 -0.59009347 1.27594492 -0.76605632 -1.42574981 0.97490907 5.31457428 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2782-57-2 16726 144212712 Troclosene ClN1C(=O)NC(=O)N(Cl)C1=O Tox21_302395 -NCGC00255713-01 196710147 tox21-ror-cho-viability-p1 set2 -1.3 3.4376242854 -86.9366342377 2.0388154557 -84.897818782 1.6266150999 0.9838226376 0.1398658472 15.66250167 1.1269017 -2.79363284 -0.47939558 1.30441157 3.62362195 -2.27421973 -2.01852397 -4.17428524 -19.06099806 -41.40193806 22.05537339 -81.3674591 -86.27827112 -81.09586054 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13967-50-5 6857648 144212551 Potassium dicyanoaurate [K+].N#C[Au-]C#N Tox21_302234 -NCGC00256134-01 196710148 tox21-ror-cho-viability-p1 set2 4 -2.21260799 1.97133273 0.43805412 1.75450132 0.01647994 1.42303036 1.44578669 1.50961231 2.22463217 1.11542817 0.90364608 1.51186701 0.69493065 0.48930228 -0.28491419 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15901-40-3 85178 144212103 F F N,N',N''-Tricyclohexyl-1-methylsilanetriamine C[Si](NC1CCCCC1)(NC2CCCCC2)NC3CCCCC3 Tox21_301786 -NCGC00255149-01 196710154 tox21-ror-cho-viability-p1 set2 4 0.63927299 -3.50612613 -3.43628539 -3.8131151 -0.13024291 -4.23604687 -8.21342617 -3.54838316 0.3587098 1.01776381 -0.80331924 1.62811201 -1.67553808 0.5680156 -1.27572713 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6965-71-5 97971 144212199 A A alpha-(2,5-Dichlorophenoxy)propionic acid Clc1ccc(Cl)cc1OC(C)C(=O)O Tox21_301882 -NCGC00255562-01 196710156 tox21-ror-cho-viability-p1 set2 4 2.76581646 -0.40026191 -1.69701693 0.78106574 -0.81266436 2.16830883 -1.22642404 -1.89371653 -0.37256945 1.62321819 0.4796254 0.02285067 0.06362851 -1.48121765 1.27742775 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22204-53-1 156391 144212270 A A Naproxen O=C(O)[C@@H](C)c1ccc2cc(ccc2c1)OC Tox21_301953 -NCGC00258226-01 196730105 tox21-ror-cho-viability-p1 set3 4 0.4639316458 11.0044096719 -12.0044096719 -1 4.9549173134 0.5337920279 0.1488873368 -15.10989669 -12.28361524 -10.29609098 -9.56723392 -16.70177667 0 -17.08700806 -12.56659111 0 0 0 -11.95300711 3.59239453 0.55066615 1.11273175 1.136E-9 2.54E-9 5.679E-9 1.27E-8 2.8389999999E-8 6.349E-8 1.4199999999E-7 3.174E-7 7.098E-7 0.0000015869999999 0.000003549 0.000007936 0.000017749999999 0.00003968 0.00008873 575-43-9 11328 144207870 A Ac 1,6-Dimethylnaphthalene Cc2cccc1cc(C)ccc12 Tox21_200672 -NCGC00257602-01 196730502 tox21-ror-cho-viability-p1 set3 4 0.1925257332 -7.9482648239 0 -7.9482648239 4.9549173134 0.3330966774 0.3513383309 0.91215905 0.75929436 0.39890757 -3.07441985 -1.36422594 0.36838262 -0.07113899 -13.10393456 -24.12355402 0 -3.65686463 -3.65796153 -8.26648359 -4.61653511 2.30760089 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.9409999999E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.0000411 0.00009189 103-03-7 61002 144207246 A A Phenicarbazide NC(=O)NNc1ccccc1 Tox21_200048 -NCGC00257913-01 196730086 tox21-ror-cho-viability-p1 set3 4 0.25607821 0.46031768 1.75633808 2.62562173 -0.58278674 0.87300442 1.25586061 2.85497873 7.65291026 1.9971328 0.68237089 1.20510026 10.11793083 2.25973114 0.18427037 1.218E-9 2.723E-9 6.0889999999E-9 1.361E-8 3.044E-8 6.807E-8 1.522E-7 3.4039999999E-7 7.611E-7 0.000001702 0.000003805 0.000008509 0.00001903 0.00004255 0.000095129999999 762-75-4 61207 144207557 FC tert-Butyl formate CC(C)(C)OC=O Tox21_200359 -NCGC00258387-01 196730094 tox21-ror-cho-viability-p1 set3 4 67.7534495245 -15.656610376 -0.5 -16.156610376 3.6272481694 0.749478664 0.0200052609 -2.4048052 0.90539335 1.32919509 -0.08377279 0.38481158 1.41209456 0.40524096 -3.69744762 0.11313797 0.31674979 -2.89809525 -3.7408224 0.32132233 -2.8133275 -12.21384198 1.1679999999E-9 2.612E-9 5.8409999999E-9 1.3059999999E-8 2.92E-8 6.53E-8 1.4599999999E-7 3.265E-7 7.3009999999E-7 0.0000016319999999 0.0000036499999999 0.000008162 0.00001825 0.00004081 0.00009126 108-43-0 7933 144208031 A A 3-Chlorophenol Oc1cc(Cl)ccc1 Tox21_200833 -NCGC00258061-01 196730503 tox21-ror-cho-viability-p1 set3 4 -4.41243197 -4.52491402 -2.60328043 -6.65149032 -4.89546322 -2.76749126 -1.40853937 -2.77579988 -4.09575318 0.02142222 -2.55972631 2.41713802 -0.89492748 -0.13219703 1.56042514 1.1989999999E-9 2.6809999999E-9 5.9959999999E-9 1.3409999999E-8 2.998E-8 6.704E-8 1.4989999999E-7 3.352E-7 7.495E-7 0.000001676 0.000003747 0.00000838 0.000018739999999 0.000041899999999 0.000093689999999 81-16-3 6670 144207705 A B 2-Amino-1-naphthalenesulfonic acid O=S(=O)(O)c2c(N)ccc1ccccc12 Tox21_200507 -NCGC00257598-01 196730507 tox21-ror-cho-viability-p1 set3 4 -6.63570745 -2.29177498 -4.98087601 -10.1816685 -1.83965541 0 -26.15256435 -25.50567843 -4.45957656 0 -2.63356003 -6.75263756 -5.68070277 -6.3318603 -9.22923611 1.214E-9 2.716E-9 6.072E-9 1.358E-8 3.036E-8 6.789E-8 1.518E-7 3.395E-7 7.59E-7 0.000001697 0.0000037949999999 0.000008486 0.00001898 0.00004243 0.000094879999999 846-50-4 5391 144207242 A A Temazepam Clc1ccc2c(c1)C(=NC(O)C(=O)N2C)c3ccccc3 Tox21_200044 -NCGC00091163-03 196730521 tox21-ror-cho-viability-p1 set3 4 -3.55101521 -2.92936823 -4.6675844 -4.20285011 -4.62708531 2.12387724 2.07965668 1.99116446 -4.31365409 -3.03361158 -3.73463386 -0.15658042 -4.96840899 -10.24083353 -2.17069262 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00254870-01 196699569 tox21-ror-cho-viability-p1 set1 4 4.3210014 4.67205676 0.25202241 0.25406309 9.14816636 -0.50764156 3.51078682 -1.40075051 3.09644722 4.76475174 -0.96287244 4.21581782 11.83267191 3.10160447 5.18401061 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-33-2 7800 144211284 A Fns Ethyl dodecanoate O=C(CCCCCCCCCCC)OCC Tox21_300967 -NCGC00254871-01 196699163 tox21-ror-cho-viability-p1 set1 4 -0.0124841 1.72342576 -0.70364586 -0.68279141 1.27176916 0.63896947 1.64069615 -0.34772916 -0.77679471 0.51882364 0.47424863 -0.03598775 0.53509766 0.6022846 4.78922316 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1113-02-6 14210 144211285 A C Omethoate COP(=O)(OC)SCC(=O)NC Tox21_300968 -NCGC00254981-01 196699561 tox21-ror-cho-viability-p1 set1 4 -2.83444914 -0.3361799 -1.56953809 -0.60574376 0.31463993 -0.54417024 1.39586974 -0.39259657 3.27680789 0.23758121 -2.3633713 0.11083863 -0.4974831 -0.39802923 0.0981961 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-86-4 8019 144211397 A A 2-Methoxyethanol OCCOC Tox21_301080 -NCGC00254997-01 196699562 tox21-ror-cho-viability-p1 set1 4 -4.72286829 -1.87694874 -4.76212317 2.35300349 -3.47480961 0.53909989 -1.11504213 -1.10925538 0.69093813 0.06528504 -5.35845806 -3.01295172 -1.9983452 2.04046841 1.04294349 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10433-59-7 23700088 144211414 A A 2,4-DB-sodium [Na+].Clc1cc(Cl)ccc1OCCCC([O-])=O Tox21_301097 -NCGC00254075-01 196699577 tox21-ror-cho-viability-p1 set1 4 0.78694303 3.68108393 -0.4877371 0.83724414 -0.55236769 1.67022235 2.74851203 0.87419229 0.36746797 0.83440005 3.52019568 0.23819867 -32.44742576 1.09389216 -0.24442992 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 53-86-1 3715 144210586 A A Indomethacin Clc1ccc(cc1)C(=O)n3c2ccc(cc2c(CC(=O)O)c3C)OC Tox21_300266 -NCGC00254296-01 196699972 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -11.172061936 0 -11.172061936 4.9549173134 0.6487876302 0.0665581066 0.30126533 -0.71475019 -0.83999072 0.19210022 0.80056314 0.17856328 -1.14626414 0.7488598 3.77715499 -0.42407148 0.82633866 0.63742007 -3.95157502 0.77290823 -8.47671828 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-38-9 5634 144210701 A A 10-Undecenoic acid O=C(O)CCCCCCCCC=C Tox21_300383 -NCGC00254334-01 196699973 tox21-ror-cho-viability-p1 set1 4 0.03326541 -0.67307063 1.00735687 -0.53415009 0.91017975 0.65864048 -0.08882119 2.45325139 -0.81078591 1.75872913 -0.67786451 2.12626865 -6.47329377 0.41661991 1.56994818 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2432-87-3 75516 144210841 A Fns Dioctyl succinate CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC Tox21_300523 -NCGC00255001-01 196699976 tox21-ror-cho-viability-p1 set1 4 -1.46010287 -1.15389995 -1.69336646 -3.51894944 -3.17948185 -2.33252202 -0.90651067 -0.15440574 -2.77331412 -1.51707498 -0.78212088 -0.31779636 -0.70204398 4.62020129 -0.80507238 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50471-44-8 39676 144211418 A Ac Vinclozolin O=C1N(C(=O)OC1(C)C=C)c2cc(Cl)cc(Cl)c2 Tox21_301101 -NCGC00254869-01 196699977 tox21-ror-cho-viability-p1 set1 4 0.12304371 0.0646603 1.97394165 -0.4434158 0.45076445 0.81365107 -0.04215171 -0.55988245 2.9711664 3.6714745 1.10877748 0.21036246 0.34064901 -4.14576443 -0.90066113 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18691-97-9 29216 144211283 A A Methabenzthiazuron CNC(=O)N(C)c1nc2ccccc2s1 Tox21_300966 -NCGC00254731-01 196699992 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -17.648348136 2 -15.648348136 4.9549173134 0.7331633541 0.0252003277 4.00417585 0.25892498 -1.6366304 0.94512147 4.07689342 3.55376359 -0.13009812 2.90451414 -1.53471213 4.11536491 3.41053322 4.31260735 -0.94927422 1.0184701 -12.20695678 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 42874-03-3 39327 144211144 A A Oxyfluorfen Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F Tox21_300827 -NCGC00256006-01 196700391 tox21-ror-cho-viability-p1 set1 4 -1.45347263 -3.21129517 -6.47879634 -2.41477141 -3.47219695 -2.478716 -4.39262957 -2.45557305 1.95305116 0.58551808 -2.27135526 -4.77529958 -4.16764208 -2.55336697 1.88423891 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21540-35-2 3034319 144212207 A A Methiuron S=C(Nc1cc(C)ccc1)N(C)C Tox21_301890 -NCGC00256071-01 196700394 tox21-ror-cho-viability-p1 set1 4 -6.18923134 -3.3854116 2.55209219 -4.41278372 -4.56608045 -5.06706701 -5.23404902 -2.28804519 -4.26225058 -3.0990779 -5.35781707 -7.75166131 -6.06091415 -4.86784679 -9.66065415 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17832-28-9 87329 144211993 D 4-(Ethenyloxy)butan-1-ol C=COCCCCO Tox21_301676 -NCGC00255125-01 196700396 tox21-ror-cho-viability-p1 set1 4 76.6458749207 13.4510355559 -2.4510355559 11 4.9549173134 0.5614878064 0.127778297 -3.67638851 -3.50615276 -1.94780597 -2.29501991 -1.77112441 -0.12588923 -4.9387926 1.22535531 -7.04252963 -5.67578799 -1.08159687 -1.82467901 0.76250985 -2.54376828 7.5310982 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.9409999999E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.0000411 0.00009189 125401-92-5 23682789 144212752 A A Bispyribac-sodium [Na+].COc1nc(nc(OC)c1)Oc3cccc(Oc2nc(cc(OC)n2)OC)c3C([O-])=O Tox21_302435 -NCGC00256054-01 196700354 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -14.315755376 -2 -16.315755376 4.9549173134 0.6706271766 0.0533655495 1.08062436 -2.3678613 -1.89214677 -1.85489024 0.70051161 -2.56276543 -6.6891325 -3.71542294 -1.77260965 -0.72567814 -2.37855734 -0.54361658 -2.81796648 -0.09035381 -12.76312948 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2517-43-3 17291 144211940 A 3-Methoxybutan-1-ol CC(CCO)OC Tox21_301623 -NCGC00254684-01 196699103 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -67.1930827614 -4.601613993 -71.7946967544 4.9549173134 0.9375383786 0.0000280483 -10.18745351 -8.97530133 -8.79623542 -4.20754617 -7.73138138 -3.33295015 1.65526949 -0.39045631 -0.33206145 0.5966083 -4.5135442 -5.19028086 -6.81165282 -9.42909882 -59.36087044 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102121-60-8 2126 144211097 A A AM580 O=C(O)c1ccc(cc1)NC(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C Tox21_300780 -NCGC00255062-01 196699506 tox21-ror-cho-viability-p1 set1 4 -3.28316544 -4.55171614 -0.43183115 -0.61502263 -3.48142227 -3.99049834 -0.84840826 0.35694494 -7.79057803 0.68397782 0.33634664 -0.47511429 1.43797003 0.74649497 0 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23950-58-5 32154 144211481 A A Propyzamide Clc1cc(cc(Cl)c1)C(=O)NC(C)(C)C#C Tox21_301164 -NCGC00254081-01 196699932 tox21-ror-cho-viability-p1 set1 4 2.75419666 0.75288773 2.0138876 1.14126871 3.94244199 -1.64835114 -2.47731821 3.71003265 1.84089905 -1.64462349 3.00040777 4.8074476 0.60531021 -0.58350249 4.52191517 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 313994-79-5 5481119 144210543 A A MK-578 CCn5nc(Cc1ccccc1)cc5C4CCN(C[C@H]3C[C@@H](C[C@@H]3c2cccc(F)c2)N(C)[C@@H](C(=O)O)C(C)C)CC4 Tox21_300223 -NCGC00255653-01 196700751 tox21-ror-cho-viability-p1 set1 4 1.60984239 -2.35055264 3.56729998 -3.04009359 -3.06338745 0.45581658 -0.37942155 0.34951631 1.87816882 0.42563534 -0.01633995 1.4489667 1.97058558 0.26128998 2.58128691 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 72269-48-8 5365748 144212081 A Ac (E)-4-Tridecen-l-yl acetate CC(=O)OCCC\C=C\CCCCCCCC Tox21_301764 -NCGC00255310-01 196700768 tox21-ror-cho-viability-p1 set1 -2.1 51.0222082123 -105.8327001225 1.2947908979 -104.5379092246 3.6272481694 0.9936865312 1E-10 4.25173954 2.93055408 -0.21274415 1.56313068 -0.9612193 1.25901016 0.37928225 -1.15353541 -0.70283712 5.37057425 1.17511228 0.97493808 0.25400893 -20.41259746 -86.68151677 1.015E-9 2.269E-9 5.073E-9 1.134E-8 2.536E-8 5.6719999999E-8 1.268E-7 2.836E-7 6.341E-7 0.0000014179999999 0.000003171 0.000007089 0.00001585 0.00003545 0.00007926 89778-27-8 3005572 144212057 A A Toremifene citrate O=C(O)C(O)(CC(=O)O)CC(=O)O.CN(C)CCOc1ccc(cc1)/C(c2ccccc2)=C(/CCCl)c3ccccc3 Tox21_301740 -NCGC00256058-01 196700771 tox21-ror-cho-viability-p1 set1 4 4.8557733675 -8.692485844 1 -7.692485844 4.9549173134 0.5694976829 0.1202988351 2.23006256 -0.70337834 2.96791663 0.30921528 1.33359994 3.87747648 0.39349573 1.04695556 -0.93602116 -4.1327262 2.30457189 -12.66040487 -9.52042386 0.09273906 -9.08031582 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 585-34-2 11450 144212003 A A 3-tert-Butylphenol CC(C)(C)c1cc(O)ccc1 Tox21_301686 -NCGC00091643-08 196701181 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -18.40445872 1.5 -16.90445872 4.5044702849 0.870428337 0.0011591602 2.56036429 2.54770901 2.47147502 -0.32441842 3.40026419 0.59383419 0.61365394 0.89656562 0.10609062 3.87609538 2.79614269 -0.14550164 -0.95066061 0.08063737 -13.2537156 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00255574-01 196701183 tox21-ror-cho-viability-p1 set1 4 27.3060203028 14.1504529999 -1.1504529999 13 4.9549173134 0.8689462726 0.0019879421 0.78022652 -0.37303099 0.708638 -0.70903324 -0.66711581 -1.87987099 -2.6253775 -1.32329315 -1.36323923 -1.60670828 0.87805655 -2.3904342 -1.87522232 13.6210671 2.39612025 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 39236-46-9 38258 144212642 F Imidazolidinyl urea OCN2C(=O)NC(=O)C2NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO Tox21_302325 -NCGC00255856-01 196701216 tox21-ror-cho-viability-p1 set1 -3 60.8819825247 -90.7160291811 1.5665521069 -89.1494770742 4.9549173134 0.9943046521 0 0.60431281 1.79725226 -0.02118495 1.76785125 2.95449969 1.18717204 0.67107969 0.63493921 0.10703142 5.64441776 3.56084564 1.18573372 -0.71469643 -9.56341108 -78.69006117 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004107 0.00009184 1541-67-9 352309 144211846 A A Lauryldiethanolamine OCCN(CCCCCCCCCCCC)CCO Tox21_301529 -NCGC00256072-01 196701202 tox21-ror-cho-viability-p1 set1 4 0.0432771257 -16.6912197 2 -14.6912197 0.2 0.3234230284 0.3462213625 -7.76834476 0.86471208 -1.49989262 -8.62199797 -4.71347102 -4.00813952 -13.50897267 -5.68307814 -13.90934975 -11.29605412 -2.07847741 -8.35562402 -12.68031245 -10.57004697 -13.42615184 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 933-52-8 13617 144211751 F B 2,2,4,4-Tetramethylcyclobutane-1,3-dione CC1(C)C(=O)C(C)(C)C1=O Tox21_301434 -NCGC00256250-01 196701208 tox21-ror-cho-viability-p1 set1 4 0.24664305 0.08844755 1.14470511 -0.84604422 -0.33426771 0.28567428 -0.48807148 0.89561359 -0.27327484 1.64896342 0.64600195 1.59945627 0.27046962 4.71001544 1.92735561 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 562-74-3 11230 144212102 B A 4-Methyl-1-(propan-2-yl)cyclohex-3-en-1-ol CC(C)C1(O)CC=C(C)CC1 Tox21_301785 -NCGC00091380-04 196711401 tox21-ror-cho-viability-p1 set2 4 0.0343762429 9.5143819399 -10.5143819399 -1 4.9549173134 0.7515653611 0.024872249 -9.56339491 -6.47020524 -9.94800378 -16.26198495 -7.62223398 0 0 0 0 0 -6.61406099 0 0 -0.6993312 -11.71729826 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00255948-01 196710982 tox21-ror-cho-viability-p1 set2 4 5.28115634 4.01268171 4.07888774 2.39943045 0.69626013 2.68306174 -0.34848243 0.04963189 -0.22851663 -0.17092327 0.31559502 0.86710567 0.32629141 -0.03994112 0.58216313 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3026-63-9 23668353 144212418 A Sodium tridecyl sulfate [Na+].[O-]S(=O)(=O)OCCCCCCCCCCCCC Tox21_302101 -NCGC00255930-01 196710985 tox21-ror-cho-viability-p1 set2 4 0.09390149 6.1177873 0.20929116 2.62292471 2.20988746 1.95596366 -0.40325043 0.51974817 0.78708837 1.12251144 0.59567379 -0.42390724 1.92521235 1.17201198 0.40351662 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 116-66-5 67005 144212554 A A 1,1,3,3,5-Pentamethyl-4,6-dinitro-2,3-dihydro-1H-indene [O-][N+](=O)c1cc2c(c(c1C)[N+]([O-])=O)C(C)(C)CC2(C)C Tox21_302237 -NCGC00357122-01 196711388 tox21-ror-cho-viability-p1 set2 4 48.5577336745 -14.3282876359 0.5 -13.8282876359 2.3331733767 0.3321252495 0.3374331787 2.33535682 2.03682927 2.40378579 -0.01722217 1.69225002 -0.49450887 4.02870596 -14.02357303 1.40756668 2.30618845 1.9976665 0.71324511 4.65709532 -8.64600443 -9.6559864 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2032-65-7 16248 251919710 A Methiocarb Cc1cc(cc(C)c1SC)OC(=O)NC Tox21_303856 -NCGC00356991-01 196711824 tox21-ror-cho-viability-p1 set2 4 30.6378586933 -20.5566376839 6.5 -14.0566376839 2.9522712143 0.8521710456 0.0021159622 1.14610256 1.87209435 5.27277615 6.98032647 6.17893087 9.51769789 8.78426715 7.32866618 10.20766228 8.68731124 8.58908605 5.86488619 1.7121001 -7.11264785 -13.79719807 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1942-71-8 16033 251919882 A 2-(4-tert-Butylphenoxy)cyclohexan-1-ol CC(C)(C)c1ccc(cc1)OC2CCCCC2O Tox21_303920 -NCGC00357137-01 196712237 tox21-ror-cho-viability-p1 set2 4 1.20943592 3.22884798 3.22215408 2.4556891 0.92811726 2.8841397 5.02787301 0.3391916 7.02467472 6.4700624 5.30576949 3.06031013 0.65099342 6.52987589 3.05765998 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-85-2 7623 251919839 F Tributyl phosphite CCCCOP(OCCCC)OCCCC Tox21_303877 -NCGC00260356-01 196712239 tox21-ror-cho-viability-p1 set2 2.4 53.2014242984 30 1.5 31.5 3.1924983358 0.9492525813 0.0000091916 0.27444754 2.68749954 1.05809642 0.42686718 0.41381162 0.89699209 0.92447204 4.87603011 2.84482446 3.23914082 3.60296952 0.33339403 1.29116003 8.77860342 25.40526398 1.051E-9 2.351E-9 5.256E-9 1.175E-8 2.628E-8 5.877E-8 1.3139999999E-7 2.938E-7 6.57E-7 0.000001469 0.000003285 0.000007346 0.00001643 0.000036729999999 0.000082129999999 19285-83-7 16219385 144210008 F Ac DL-Glutamic acid monohydrate O.OC(=O)CCC(N)C(=O)O Tox21_202810 -NCGC00018187-09 196712646 tox21-ror-cho-viability-p1 set2 4 0.0084126743 -15.7152590439 13 -2.7152590439 0.9999999999 0.7945114489 0.0089417097 12.2958275 9.33412091 9.61200098 8.25250751 0.45883094 0.39542504 -0.05318211 -2.86882572 -0.74834138 -0.14535234 -1.92502227 0.2346343 -3.53910181 -0.68197685 -11.01271587 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 298-57-7 1547484 170465920 A Cinnarizine c1ccccc1C(c2ccccc2)N3CCN(CC3)C/C=C/c4ccccc4 Tox21_110109_1 -NCGC00255643-01 196710590 tox21-ror-cho-viability-p1 set2 4 4.49089185 2.460725 0.77004556 0.74346269 2.6185518 1.68967867 0.62603708 0.04158336 -0.45164498 0.22508502 0.81011965 0.90068559 1.42644285 0.62208842 5.82716481 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3681-71-8 5363388 144212607 F Fns (3Z)-3-Hexenyl acetate O=C(C)OCC/C=C\CC Tox21_302290 -NCGC00259596-01 196709750 tox21-ror-cho-viability-p1 set2 4 0.33085906 1.59845549 -1.66393285 0.67702492 -0.51567923 -1.92696237 0.02917701 -0.52137731 -1.79563413 -1.04039827 1.95267103 2.91376334 1.00876847 2.31750896 5.9479127 1.211E-9 2.709E-9 6.056E-9 1.3539999999E-8 3.028E-8 6.771E-8 1.514E-7 3.386E-7 7.5709999999E-7 0.000001693 0.0000037849999999 0.000008464 0.00001893 0.00004232 0.00009463 108-32-7 7924 144209245 A Ac Propylene carbonate O=C1OCC(C)O1 Tox21_202047 -NCGC00256310-01 196710162 tox21-ror-cho-viability-p1 set2 4 -0.18242924 3.93243692 0.47624343 -0.52138805 -0.49850997 -1.0656882 -0.23742294 -0.3483348 -0.65932915 -1.53299949 0.13653337 -0.18395558 -0.50418546 -1.66413893 -1.55045802 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67674-36-6 6364671 144212709 F F (2E,6Z)-1,1-diethoxynona-2,6-diene CCOC(/C=C/CC/C=C\CC)OCC Tox21_302392 -NCGC00255291-01 196710174 tox21-ror-cho-viability-p1 set2 4 6.06561894 0.51148883 1.15597842 2.49841464 1.1379284 1.64195668 0.86005177 2.07878041 0.88902218 0.39764958 0.23434542 2.10293726 -0.28156848 2.37436869 4.36777154 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-03-7 8830 144211831 A A Dibutyl butanedioate O=C(CCC(=O)OCCCC)OCCCC Tox21_301514 -NCGC00255824-01 196710593 tox21-ror-cho-viability-p1 set2 4 1.01226267 1.97997447 1.99316228 1.55660708 1.65784645 1.74473259 0.23396938 -0.12372491 -0.31220683 -0.7772564 -0.52453084 0.07417687 0.40962615 0.86521866 -5.83877821 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67874-72-0 62240 144212205 A 2-(2-Methylbutan-2-yl)cyclohexyl acetate O=C(C)OC1CCCCC1C(C)(C)CC Tox21_301888 -NCGC00091499-05 196729346 tox21-ror-cho-viability-p1 set3 4 -5.12812706 -0.00295873 2.46471675 0.6843642 1.03372094 0.05698078 -1.86174335 0.14468892 1.34505497 0.18265152 0.4069023 0.69305279 0.01256094 2.24369927 2.34935944 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00256305-01 196728919 tox21-ror-cho-viability-p1 set3 4 2.55545652 5.49643726 -0.20498324 2.93348808 4.14725868 -0.00315602 11.71437477 1.00308442 3.32462545 -12.47093771 9.06052813 6.41710552 2.33929728 13.78719541 0.35094367 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7575-23-7 82056 144211830 F 3-[(3-Sulfanylpropanoyl)oxy]-2,2-bis{[(3-sulfanylpropanoyl)oxy]methyl}propyl 3-sulfanylpropanoate SCCC(=O)OCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS Tox21_301513 -NCGC00255841-01 196728935 tox21-ror-cho-viability-p1 set3 4 3.05204629 -2.97325935 0.78995361 -0.46576705 2.48207522 2.18089639 1.79723791 -0.52275902 1.88574721 -3.05460917 2.10276568 -0.98361089 -0.21080398 7.46692144 3.21055169 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 947-02-4 13689 144212222 A A Phosfolan O=P(OCC)(/N=C1\SCCS1)OCC Tox21_301905 -NCGC00258127-01 196729340 tox21-ror-cho-viability-p1 set3 4 31.0121236216 12.247374072 -6.247374072 6 1.4487170999 0.6228037505 0.0819342875 -10.101679 -6.51728112 -3.75829544 -4.27594617 -3.60598131 -5.18745732 -4.05247961 -7.30787661 -10.20614506 -5.2520661 -8.31032825 -6.03457223 1.17014482 -1.59636547 4.94245104 1.1919999999E-9 2.6649999999E-9 5.96E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.332E-7 7.45E-7 0.0000016659999999 0.000003725 0.000008329 0.00001862 0.00004164 0.00009312 3333-52-6 18745 144207771 A A Tetramethylsuccinonitrile CC(C)(C#N)C(C)(C)C#N Tox21_200573 -NCGC00257705-01 196729350 tox21-ror-cho-viability-p1 set3 4 -0.69168468 -3.14112036 -1.90185529 -4.32460827 -5.00817301 -3.59192701 0.36347583 -2.41728102 -4.05486163 -1.92124017 -3.48164003 0.57163464 -4.80239142 -3.70948171 0.42095188 1.189E-9 2.658E-9 5.9439999999E-9 1.3289999999E-8 2.9719999999E-8 6.6449999999E-8 1.486E-7 3.323E-7 7.4299999999E-7 0.0000016609999999 0.0000037149999999 0.000008307 0.00001857 0.00004153 0.00009287 36322-90-4 54676228 144207349 A B Piroxicam OC=2c1ccccc1S(=O)(=O)N(C)C=2C(=O)Nc3ccccn3 Tox21_200151 -NCGC00255374-01 196701228 tox21-ror-cho-viability-p1 set1 -2.4 2.4336516212 -26.329585476 1.5 -24.829585476 2.4063783767 0.936024096 0.0000319011 1.52551786 1.6495283 0.94330536 7.71856422 4.11000642 -0.09639442 -0.66667003 -4.12474638 0.51540922 -5.70135124 -15.51692073 -28.19132123 -25.79936409 -25.73725041 -20.05226014 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 143390-89-0 6112114 144212568 A A Kresoxim-methyl O=C(OC)\C(=N\OC)c2ccccc2COc1ccccc1C Tox21_302251 -NCGC00255344-01 196700822 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -29.8448305 -1 -30.8448305 4.9549173134 0.8281240724 0.0041632992 1.93588934 -3.63302646 -3.71902881 1.79301128 -6.54765427 -1.55808444 -4.64765163 -0.55477824 1.45225469 2.13895612 -1.07750148 -3.25834436 2.05466478 -0.84924884 -25.28735875 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87392-12-9 11140605 144211894 A A S-Metolachlor ClCC(=O)N([C@@H](C)COC)c1c(C)cccc1CC Tox21_301577 -NCGC00255878-01 196700823 tox21-ror-cho-viability-p1 set1 4 3.8570778872 4.462550644 -5.462550644 -1 1.331 0.395130939 0.2804664471 -3.33643399 -4.57816652 -4.78624676 -6.40113508 -5.2431964 -6.3963856 -3.58792546 -11.63545887 -5.66038502 -1.41209214 -2.91213958 -5.0496877 0.45022428 -1.45180091 -1.10251625 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 130-20-1 8532 144212548 Fns D&C Blue No. 9 O=C4c3c2Nc6c(Cl)cc1C(=O)c7ccccc7C(=O)c1c6Nc2c(Cl)cc3C(=O)c5ccccc45 Tox21_302231 -NCGC00255452-01 196700824 tox21-ror-cho-viability-p1 set1 -1.1 6.1130564862 -90.5312682365 -3.9382231599 -94.4694913964 4.9549173134 0.953462445 0.0000056627 0.55311201 1.80899739 2.19139683 0.00727591 2.00120521 0.66756106 0.49060083 -1.96216802 -12.38202594 -31.96248491 -11.31710966 -78.60807233 -93.81794466 -97.19083477 -90.63654391 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3737-41-5 77328 144212517 F Bc 3,3,4,4-Tetrachlorotetrahydrothiophene 1,1-dioxide ClC1(Cl)CS(=O)(=O)CC1(Cl)Cl Tox21_302200 -NCGC00255245-01 196701231 tox21-ror-cho-viability-p1 set1 4 43.2771256911 -16.276919604 1 -15.276919604 2.4063783767 0.8862263238 0.0006194875 -0.48228728 0.47804992 1.93353537 1.29689373 0.40609783 -0.83331286 0.16980584 -0.122775 1.83424429 2.16801071 2.49617528 2.18968041 2.1396353 -8.56688621 -12.31409967 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-92-7 8908 144211710 F F Hexyl acetate O=C(C)OCCCCCC Tox21_301393 -NCGC00255565-01 196701239 tox21-ror-cho-viability-p1 set1 4 0.61798587 -1.90544072 -0.30317213 0.78802339 -0.98881247 3.58339336 3.59722808 1.88923456 2.63683118 -0.11553008 3.10841827 4.44681836 0.15716383 -1.41340042 3.19089193 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-68-2 41690 144212196 A Ac 4-Cyclohexylcyclohexanone O=C1CCC(CC1)C2CCCCC2 Tox21_301879 -NCGC00090986-03 196701637 tox21-ror-cho-viability-p1 set1 4 -1.76739612 -4.04154238 -10.94544219 -3.9522378 -4.17528894 -6.10628109 -17.91811481 -6.95791234 3.07904008 -7.41851268 -8.58644635 -12.21505817 -1.55618149 -6.73272312 -24.2835242 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00257733-01 196701681 tox21-ror-cho-viability-p1 set1 4 1.28213303 -0.26987173 1.80074368 6.60161274 0.34889821 0.50016606 -1.56039553 1.44907803 9.87316643 -10.80741902 -1.14193396 0.84232987 -0.7083827 -1.39244585 3.44294297 1.218E-9 2.723E-9 6.088E-9 1.361E-8 3.044E-8 6.807E-8 1.522E-7 3.403E-7 7.61E-7 0.000001702 0.000003805 0.0000085079999999 0.000019019999999 0.000042539999999 0.00009512 763-69-9 12989 144207377 A A Ethyl 3-ethoxypropionate CCOCCC(=O)OCC Tox21_200179 -NCGC00256018-01 196701264 tox21-ror-cho-viability-p1 set1 4 -1.49573217 0.15814318 -2.20882082 -1.04549221 -1.22430652 -4.20616247 -5.04174884 -4.9055742 -6.95371488 -0.43292955 1.3316207 -1.02663462 -1.27995443 2.97255312 2.74880831 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-19-8 8878 144212096 A Ac Prop-2-en-1-yl heptanoate O=C(CCCCCC)OCC=C Tox21_301779 -NCGC00257587-01 196701661 tox21-ror-cho-viability-p1 set1 4 0.4910142699 3.9508441879 -0.4508441879 3.5 4.9549173134 0.3152468116 0.3551822691 0.09087514 0.08933984 6.11385496 1.63562496 -7.87570349 -4.81986079 0.85672821 -1.12510035 4.06354643 4.28216832 3.20035979 5.53129836 1.43463934 4.5423278 1.77546771 1.191E-9 2.664E-9 5.9569999999E-9 1.332E-8 2.978E-8 6.66E-8 1.489E-7 3.33E-7 7.446E-7 0.000001665 0.0000037229999999 0.0000083249999999 0.00001861 0.00004162 0.000093069999999 302-15-8 165286 144207231 F Methylhydrazine sulfate CNN.O=S(=O)(O)O Tox21_200033 -NCGC00257573-01 196701670 tox21-ror-cho-viability-p1 set1 4 42.9252797402 12.1289522679 -1.6289522679 10.5 3.1319983358 0.3515867075 0.3189867767 -3.83824985 -7.72586796 -1.28480473 -0.42040459 3.17453714 -1.33942254 -0.51832375 -2.06700471 -1.64356536 -4.43049772 4.29214854 4.28713904 -10.52412689 6.50552013 8.74090755 1.172E-9 2.622E-9 5.862E-9 1.311E-8 2.931E-8 6.554E-8 1.466E-7 3.277E-7 7.328E-7 0.0000016379999999 0.000003664 0.000008192 0.00001832 0.00004096 0.00009159 110-57-6 642197 144207217 A A (2E)-1,4-Dichlorobut-2-ene ClC\C=C\CCl Tox21_200019 -NCGC00257761-01 196701683 tox21-ror-cho-viability-p1 set1 4 4.93462006 4.42369923 0.70682841 4.7223211 1.98532987 3.97355685 1.17234982 5.01697042 3.44550195 6.44649092 2.27713292 1.88897971 8.8575872 3.45819903 3.69794499 1.149E-9 2.569E-9 5.7449999999E-9 1.285E-8 2.8729999999E-8 6.4229999999E-8 1.436E-7 3.212E-7 7.182E-7 0.000001606 0.000003591 0.0000080289999999 0.00001795 0.00004015 0.000089769999999 106-88-7 7834 144207405 FNS 1,2-Epoxybutane CCC1CO1 Tox21_200207 -NCGC00258053-01 196702085 tox21-ror-cho-viability-p1 set1 4 2.72058354 -0.14527491 2.38897243 3.20707655 3.78921377 -0.41672457 6.98806541 -0.03734476 1.6514763 1.20811901 2.80400267 0.99979779 3.21489459 1.25226544 5.18129412 1.218E-9 2.723E-9 6.0889999999E-9 1.361E-8 3.044E-8 6.807E-8 1.522E-7 3.4039999999E-7 7.611E-7 0.000001702 0.000003805 0.000008509 0.00001903 0.00004255 0.000095129999999 3741-38-6 77342 144207697 FNS Glycol sulfite O=S1OCCO1 Tox21_200499 -NCGC00357156-01 196703260 tox21-ror-cho-viability-p1 set1 4 6.95605416 7.60798817 -1.26596652 0.74574587 -0.8847335 2.14911207 -0.96249298 4.33817041 8.07615443 0.19228148 2.21337814 1.75097445 0.46708283 0.89005268 8.88551551 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-56-7 7244 251919975 A 2-Bromophenol Oc1ccccc1Br Tox21_303903 -NCGC00356983-01 196703246 tox21-ror-cho-viability-p1 set1 4 -0.06305154 4.42457452 -0.99149131 6.02195926 6.40136192 -0.47085732 3.71701344 0.56270449 -0.95437832 -0.51259926 6.01805808 0.16492725 2.91402182 0.07214194 10.04732372 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6842-15-5 22833307 251919692 Fns 1-Propene, tetramer C\C=C\C\C=C\C/C=C/CC=C Tox21_303865 -NCGC00357102-01 196703252 tox21-ror-cho-viability-p1 set1 2.4 76.9588215421 21.6149588879 -0.1149588879 21.5 4.9549173134 0.6949132817 0.0406869043 -1.29935635 0.28623748 -0.8476491 -1.20191923 -0.76237942 -0.28117057 -0.54835382 4.35519174 -0.22248201 -6.76246574 -0.64331531 5.16395485 -0.68470877 -0.11371252 15.17425991 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-10-8 6916 251919966 F Diethylcarbamoyl chloride CCN(CC)C(Cl)=O Tox21_303825 -NCGC00260270-01 196703258 tox21-ror-cho-viability-p1 set1 4 0.22835453 0.37728496 1.73109138 5.16091661 2.70397773 0.89473661 7.25583998 -4.45975524 5.11341413 -10.79492653 3.69331433 -4.45136739 -3.77485757 0.5398558 2.35851773 3.276E-10 7.324E-10 1.638E-9 3.6619999999E-9 8.189E-9 1.831E-8 4.0939999999E-8 9.155E-8 2.0469999999E-7 4.578E-7 0.000001024 0.000002289 0.000005118 0.000011439999999 0.000025589999999 112-82-3 8213 144209920 F Fns 1-Bromohexadecane BrCCCCCCCCCCCCCCCC Tox21_202722 -NCGC00257852-01 196702871 tox21-ror-cho-viability-p1 set1 4 -0.18089984 -3.87220923 -0.45149419 4.53804603 0.7447287 3.41473332 -0.1852925 -8.7413496 -7.77270275 -0.06226429 2.34197595 0.40157416 -0.46300935 -9.0016065 0.0115565 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.000018429999999 0.0000412 0.000092129999999 100-61-8 7515 144207496 A D N-Methylaniline CNc1ccccc1 Tox21_200298 -NCGC00258703-01 196702461 tox21-ror-cho-viability-p1 set1 4 1.2180478 0.24483612 0.90678555 -0.33815518 1.72458456 -0.23010489 5.09200285 1.84353992 2.21798097 -13.14369986 2.3800162 2.45682818 2.41824159 -0.83400701 -1.4687262 1.226E-9 2.742E-9 6.131E-9 1.371E-8 3.066E-8 6.855E-8 1.5329999999E-7 3.4269999999E-7 7.664E-7 0.0000017139999999 0.000003832 0.000008568 0.00001916 0.00004284 0.0000958 764-42-1 637930 144208349 FNS Fumaronitrile N#C\C=C\C#N Tox21_201151 -NCGC00257808-01 196702464 tox21-ror-cho-viability-p1 set1 4 24.2622881052 9.0334807679 -0.5334807679 8.5 3.6772481694 0.6481815383 0.0659284141 -2.42754466 -3.77790064 -1.68298185 -1.66855732 0.54911477 3.90134897 -1.41420339 4.2755907 -1.64957968 0.33175236 -2.4991652 -1.45486384 2.77502196 6.22067062 9.65571469 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.5809999999E-8 1.472E-7 3.291E-7 7.358E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.00004113 0.00009198 92-66-0 7101 144207452 A A 4-Bromobiphenyl Brc1ccc(cc1)c2ccccc2 Tox21_200254 -NCGC00258350-01 196702859 tox21-ror-cho-viability-p1 set1 4 2.71533434 0.832715 1.05253962 9.95777146 3.12408561 4.8041699 3.90173864 -1.31429232 -1.58145018 3.71254901 2.83844441 0.14590152 8.38078432 1.35031375 0.11637883 1.221E-9 2.7299999999E-9 6.104E-9 1.365E-8 3.052E-8 6.825E-8 1.526E-7 3.412E-7 7.6299999999E-7 0.0000017059999999 0.000003815 0.000008531 0.000019079999999 0.00004265 0.000095379999999 1476-11-5 6432115 144207994 FNS (2Z)-1,4-Dichlorobut-2-ene ClC\C=C/CCl Tox21_200796 -NCGC00258527-01 196702876 tox21-ror-cho-viability-p1 set1 -2.4 62.4383774676 -37.2416650679 -5.848258924 -43.0899239919 0.2 0.5433258544 0.1409465411 -12.96449125 -8.50264687 -16.1754352 -8.86837197 -17.95038016 -1.54021577 -17.69567921 -17.88109398 -11.63713967 -18.42605115 -17.19279025 -18.31890116 -21.43735393 -22.93500505 -32.57493666 1.2009999999E-9 2.686E-9 6.005E-9 1.3429999999E-8 3.003E-8 6.714E-8 1.501E-7 3.3569999999E-7 7.506E-7 0.0000016779999999 0.000003753 0.0000083919999999 0.000018769999999 0.00004196 0.000093829999999 42019-78-3 123504 144208172 A A 4-Hydroxy-4'-chlorobenzophenone O=C(c1ccc(Cl)cc1)c2ccc(O)cc2 Tox21_200974 -NCGC00257996-01 196702877 tox21-ror-cho-viability-p1 set1 -2.4 67.0579497893 -35.69232338 -2 -37.69232338 3.1924983358 0.8057979172 0.0070399631 -7.01711004 0.34922243 -7.01124754 -5.68933541 0.32668132 2.91004111 -0.17084458 0.81337069 -0.015244 0.21928191 0.47253252 -5.91245204 -6.24892907 -7.11016773 -28.07693615 1.158E-9 2.589E-9 5.789E-9 1.2949999999E-8 2.8949999999E-8 6.473E-8 1.447E-7 3.2359999999E-7 7.237E-7 0.000001618 0.000003618 0.000008091 0.000018089999999 0.00004046 0.000090459999999 128-39-2 31405 144207640 A A 2,6-Di-tert-butylphenol CC(C)(C)c1cccc(c1O)C(C)(C)C Tox21_200442 -NCGC00258674-01 196702878 tox21-ror-cho-viability-p1 set1 4 69.2178691585 16.8537136799 -1.3537136799 15.5 4.9549173134 0.7698688391 0.0142923482 -3.0652532 0.5713233 -2.38431659 1.96583113 -2.47652131 -2.79415698 -2.88518565 -0.44492948 -1.94749178 -0.14368516 1.47677194 1.01410129 -4.0447614 -2.25028608 12.62451117 1.189E-9 2.658E-9 5.9439999999E-9 1.3289999999E-8 2.9719999999E-8 6.646E-8 1.486E-7 3.323E-7 7.4299999999E-7 0.0000016609999999 0.0000037149999999 0.000008307 0.000018579999999 0.00004154 0.000092879999999 1141-38-4 14357 144208320 A A 2,6-Naphthalenedicarboxylic acid O=C(O)c1ccc2cc(ccc2c1)C(=O)O Tox21_201122 -NCGC00260153-01 196703290 tox21-ror-cho-viability-p1 set1 4 0.0017474517 -12.6806275959 7 -5.6806275959 4.5044702849 0.444064722 0.2481206859 4.96857886 -4.05686784 -4.35438693 -2.11076181 -9.73385633 0.11606501 -8.89634425 -7.15758039 -1.84121732 -1.89905527 -8.58277248 -7.97201129 -7.44006503 -9.20207397 4.8060409 1.194E-9 2.671E-9 5.9709999999E-9 1.335E-8 2.986E-8 6.676E-8 1.493E-7 3.338E-7 7.464E-7 0.000001669 0.000003732 0.000008345 0.00001866 0.000041729999999 0.000093299999999 367522-96-1 12195864 144209803 A A 1-Butyl-1-methylpyrrolidinium trifluoromethanesulfonate CCCC[N+]1(C)CCCC1.FC(F)(F)S([O-])(=O)=O Tox21_202605 -NCGC00260032-01 196703296 tox21-ror-cho-viability-p1 set1 4 -3.94106402 -5.60035439 -7.07354024 -4.65344953 -5.48526083 -7.35470758 -13.423315 -12.38466498 -3.48252442 -5.46993151 -2.55139032 -8.40800579 -3.74050843 -7.13562939 -16.62248967 6.02E-10 1.346E-9 3.01E-9 6.731E-9 1.505E-8 3.365E-8 7.5249999999E-8 1.683E-7 3.763E-7 8.413E-7 0.0000018809999999 0.000004207 0.000009406 0.00002103 0.00004703 25316-40-9 443939 144209681 A A Adriamycin hydrochloride Cl.OCC(=O)[C@@]4(O)C[C@H](O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1)c5c(O)c3C(=O)c2c(OC)cccc2C(=O)c3c(O)c5C4 Tox21_202483 -NCGC00091532-04 196714725 tox21-ror-cho-viability-p1 set2 -3 69.4274967035 -40.9785257388 -3 -43.9785257388 3.9899729863 0.9179570786 0.0001180947 -3.47445052 0.71264242 -0.66422773 1.78670514 -4.24556953 -5.81936106 -5.35682658 -4.6348227 -4.37112765 -0.68124806 -1.01831249 -6.33603106 -4.00870381 -7.55537804 -34.45342859 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00254276-01 196714723 tox21-ror-cho-viability-p1 set2 4 0.21772521 -4.53780076 -2.00937035 -1.1279688 0.26536241 -9.26233176 -2.24524623 -2.82799898 -0.17752915 1.03005448 -1.88919066 -0.07430199 -1.34547163 -4.0145209 -2.72713843 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 30516-87-1 35370 144210895 A A 3'-Azido-3'-deoxythymidine CC1=CN(C(=O)NC1=O)[C@H]2C[C@H](\N=[N+]=[N-])[C@@H](CO)O2 Tox21_300578 -NCGC00254249-01 196715150 tox21-ror-cho-viability-p1 set2 4 -0.1624916 0.37953776 -0.81301678 0.99828533 -4.495622 1.06600483 -1.8109134 -1.44525409 2.16117007 1.24207315 1.66626157 -0.7741493 -1.33248588 -6.35773818 3.18629985 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 3825-26-1 2776282 144210912 PFOA, ammonium salt [NH4+].FC(F)(C(F)(F)C([O-])=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300595 -NCGC00164449-04 196711849 tox21-ror-cho-viability-p1 set2 2.4 68.5896218971 25.119665168 0.880334832 26 4.9549173134 0.9186212175 0.0001140622 1.77616222 2.63739056 3.24014736 0.1530783 1.46835039 -1.45788131 -0.5960991 0.8119553 -1.76638764 0.6276842 2.6579514 2.10299885 2.94558776 2.25010592 21.47921548 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00260614-01 196711430 tox21-ror-cho-viability-p1 set2 -2.2 11.8832183006 -43.3230603642 -2.491620651 -45.8146810152 3.5117481694 0.9251019317 0.0001501014 -0.01807318 -2.37885358 -0.15101282 -4.1965799 -1.05253423 -2.11816582 0.3459416 2.49520557 -5.3033621 -3.62831845 -10.32897683 -1.84864774 -14.9521017 -42.42100094 -22.51650064 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49510 144210267 M M NTP Mix17 AR1 8-EQC Tox21_203069 -NCGC00357089-01 196711828 tox21-ror-cho-viability-p1 set2 4 -2.45851896 -11.4276993 -5.218537 -3.92206194 -3.6791185 -14.70190105 -1.39642809 -6.22081946 -10.72124084 -9.85061709 -28.66666368 0 0 -5.69763491 5.34655298 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1139-30-6 1742210 251919856 A (-)Carophyllene oxide C=C2CC[C@H]3O[C@]3(C)CC[C@@H]1[C@@H]2CC1(C)C Tox21_303807 -NCGC00260114-01 196711833 tox21-ror-cho-viability-p1 set2 4 62.0642463938 17.4817361121 0.5182638879 18 1.0999999999 0.7397602547 0.0230282306 2.45681222 -1.65144676 0.08044004 0.6401923 -1.60755126 2.62037377 -0.17033211 3.68729147 2.99886444 0.729245 -0.91430283 3.13923417 3.02579315 5.03904964 13.83616857 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.6799999999E-8 1.494E-7 3.34E-7 7.468E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004175 0.000093349999999 5165-97-9 23665719 144209763 F 2-Acrylamido-2-methylpropanesulphonate sodium salt [Na+].[O-]S(=O)(=O)CC(C)(C)NC(=O)C=C Tox21_202565 -NCGC00260496-01 196711851 tox21-ror-cho-viability-p1 set2 4 0.2239768559 17 -1.5 15.5 0.2 0.5827260549 0.1107332356 0.23937362 2.39284456 4.21848572 6.05430034 8.5999695 8.31264955 3.42769973 8.5641878 9.27338353 8.84200018 7.88300966 7.77312255 5.80130511 14.87156187 13.2621958 1.212E-9 2.709E-9 6.0579999999E-9 1.3549999999E-8 3.029E-8 6.773E-8 1.514E-7 3.386E-7 7.5719999999E-7 0.000001693 0.000003786 0.0000084659999999 0.00001893 0.000042329999999 0.00009465 91-19-0 7045 144210148 A A Quinoxaline c1cccc2nccnc12 Tox21_202950 -NCGC00357038-01 196712243 tox21-ror-cho-viability-p1 set2 -3 76.9588215421 -79.7910050774 -6.900671527 -86.6916766044 4.9549173134 0.8426345975 0.0027946615 -0.3450782 -1.92803366 -14.7748403 -5.376411 -3.65963543 -11.29025765 -9.04230538 -0.01852703 -7.31915289 -22.47336768 -12.78618135 -12.03947144 -1.29479164 -2.37186482 -68.80291794 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 615-20-3 11987 251919920 A 2-Chlorobenzothiazole Clc1nc2ccccc2s1 Tox21_303729 -NCGC00260300-01 196712245 tox21-ror-cho-viability-p1 set2 4 -3.11329149 -5.96162163 -10.0254239 -7.95474111 -4.48743834 -13.24304326 0 -34.31765345 -3.78572538 -29.1904958 1.09820788 -18.72507642 0 -9.04761966 -0.54116032 3.028E-10 6.7699999999E-10 1.514E-9 3.3849999999E-9 7.569E-9 1.693E-8 3.785E-8 8.463E-8 1.892E-7 4.2309999999E-7 9.462E-7 0.000002116 0.0000047309999999 0.00001058 0.00002365 6419-19-8 16698 144209951 F Aminotrimethylene phosphonic acid OP(=O)(O)CN(CP(=O)(O)O)CP(=O)(O)O Tox21_202753 -NCGC00160442-03 196713093 tox21-ror-cho-viability-p1 set2 4 0.1675272 -0.31936346 -0.84469632 -4.34857909 -2.74472273 1.62026137 -0.90776351 -0.22179411 -0.09646726 -2.56385256 0.89925783 0.23494057 0.61485602 -0.62067436 -0.05932629 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 18493-30-6 71894 170466451 I Metochalcone COc2cc(ccc2C(=O)C=Cc1ccc(OC)cc1)OC Tox21_111813_1 -NCGC00164540-02 196713493 tox21-ror-cho-viability-p1 set2 4 2.49581136 -0.28488659 -0.68221992 -0.40180715 -0.61712444 2.69393918 1.48976233 -0.42765795 -0.88041815 -0.31865443 1.77271127 2.16535326 1.33110247 4.97127433 4.83285668 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1223-36-5 28554 170466292 A Clofexamide Clc1ccc(OCC(=O)NCCN(CC)CC)cc1 Tox21_112169_1 -NCGC00258147-01 196730181 tox21-ror-cho-viability-p1 set3 4 0.31449719 -6.7961655239 0 -6.7961655239 3.1319983358 0.3265692637 0.3577728063 1.60231075 1.08081306 -1.56455959 0.24792998 0.37116781 -0.97515536 -0.07523486 -3.0052924 -9.27995943 -11.38243628 -13.16347127 -12.76526012 1.21352586 4.69430959 9.26552141 1.206E-9 2.697E-9 6.0299999999E-9 1.348E-8 3.0149999999E-8 6.7419999999E-8 1.5079999999E-7 3.371E-7 7.538E-7 0.0000016859999999 0.000003769 0.000008428 0.00001885 0.00004214 0.00009423 412009-62-2 22239085 144207791 A A 1-Decyl-3-methylimidazolium trifluoromethanesulfonate FC(F)(F)S([O-])(=O)=O.C[n+]1ccn(CCCCCCCCCC)c1 Tox21_200593 -NCGC00260312-01 196724714 tox21-ror-cho-viability-p1 set3 -2.4 38.5707788719 -24.374663936 -3 -27.374663936 1.9673362061 0.863042166 0.0014843156 -2.01481669 -5.33373287 -7.72391226 -3.87803621 -2.98642811 -1.23591583 -4.88010487 -1.54128636 1.61931707 1.85105663 -3.98763201 -6.08870119 -6.96338695 -15.39986258 -26.14555328 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.299E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.00001844 0.00004124 0.00009222 68937-41-7 75628 144209963 F F Triisopropylated phenyl phosphate CC(C)c1ccc(cc1)OP(=O)(Oc2ccc(cc2)C(C)C)Oc3ccc(cc3)C(C)C Tox21_202765 -NCGC00091086-02 196725115 tox21-ror-cho-viability-p1 set3 4 3.33832867 -0.19081998 0.82838551 2.46267298 8.38594949 5.01906095 3.00987622 5.69287489 7.9048984 22.28723784 4.50274884 3.7655584 1.71594108 11.94499626 6.79275687 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00018221-10 196725121 tox21-ror-cho-viability-p1 set3 4 4.89487465 -3.29084443 -3.50897933 4.40055837 4.17561299 -3.38749701 1.99889447 -1.92653195 -1.32637535 -2.34482687 4.62503372 -0.00600741 -3.64682256 2.79350447 -1.00493908 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 132-60-5 8593 170466318 A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_110841_1 -NCGC00258021-01 196730172 tox21-ror-cho-viability-p1 set3 4 -1.08354878 2.27935946 0.70296396 0.25861156 1.81624957 1.22687131 1.64483259 0.49753858 -0.09293282 1.52868098 0.43936166 0.69465236 -0.01984856 -0.00194999 0.70811873 1.1739999999E-9 2.625E-9 5.87E-9 1.3129999999E-8 2.9349999999E-8 6.5629999999E-8 1.468E-7 3.282E-7 7.338E-7 0.000001641 0.000003669 0.000008204 0.00001834 0.00004102 0.00009172 38103-06-9 94483 144207665 A B 5,5'-[Propane-2,2-diylbis(benzene-4,1-diyloxy)]bis(2-benzofuran-1,3-dione) O=C1OC(=O)c2ccc(cc12)Oc3ccc(cc3)C(C)(C)c4ccc(cc4)Oc5ccc6C(=O)OC(=O)c6c5 Tox21_200467 -NCGC00257709-01 196730174 tox21-ror-cho-viability-p1 set3 4 -3.74086861 -5.97066839 -3.67013379 -7.02993782 -3.6388746 0.27209206 -3.32472318 -2.06425564 1.31479713 -1.37231096 1.31887342 1.90435545 0.3066161 0.70912917 0.08396176 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.571E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008214 0.00001837 0.00004107 0.00009184 51-36-5 5811 144207353 A A 3,5-Dichlorobenzoic acid Clc1cc(cc(Cl)c1)C(=O)O Tox21_200155 -NCGC00258363-01 196730177 tox21-ror-cho-viability-p1 set3 -1.1 24.5346421974 -87.8624717008 -0.400925412 -88.2633971128 3.9294729863 0.9621711672 0.0000017926 3.01429856 0.03963192 0.59174789 0.67907428 2.69883982 3.24076424 3.48270653 1.15311196 0.0225505 0.67571373 -1.92268639 -19.37906813 -21.1644106 -85.52654759 -81.45799906 1.188E-9 2.656E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.639E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.000003712 0.000008299 0.00001856 0.0000415 0.00009279 654057-97-3 16218822 144208007 A A Trihexyltetradecylphosphonium bromide [Br-].CCCCCC[P+](CCCCCC)(CCCCCC)CCCCCCCCCCCCCC Tox21_200809 -NCGC00258133-01 196730184 tox21-ror-cho-viability-p1 set3 4 1.36965463 -1.22277349 2.37653518 0.39740574 1.36537385 3.28309443 1.44822883 -1.42277833 2.09032854 -0.13550455 2.22977611 0.89727715 0.74546773 1.04229174 3.60264972 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.00004119 0.000092099999999 53226-35-0 171257 144207777 F 2-Hydroxyethylammonium formate O=CO.NCCO Tox21_200579 -NCGC00258315-01 196730582 tox21-ror-cho-viability-p1 set3 4 -1.68884218 -1.72444563 0.06355897 -7.37350481 -0.02497703 -1.10153137 0.48840388 1.90504664 1.6376061 0.79460909 1.30260144 0.18007492 -1.20282863 -0.33709701 0.20792345 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004128 0.00009231 93-72-1 7158 144207959 A Ac 2-(2,4,5-Trichlorophenoxy)propionic acid Clc1cc(OC(C)C(=O)O)c(Cl)cc1Cl Tox21_200761 -NCGC00258064-01 196730596 tox21-ror-cho-viability-p1 set3 4 0.19123931 -5.54319483 -5.69849119 -5.1436154 0.05046722 0.77566156 -3.90279085 -4.49577199 -5.15890791 -1.19365308 -4.44870337 0.70588625 -0.50557484 -0.44979355 1.02522653 1.2009999999E-9 2.686E-9 6.005E-9 1.3429999999E-8 3.003E-8 6.714E-8 1.501E-7 3.3569999999E-7 7.507E-7 0.000001679 0.000003753 0.000008393 0.000018769999999 0.00004196 0.000093829999999 50-06-6 4763 144207708 A A Phenobarbital O=C1NC(=O)NC(=O)C1(CC)c2ccccc2 Tox21_200510 -NCGC00258509-01 196730597 tox21-ror-cho-viability-p1 set3 4 0.0094721872 22.4321832439 -23.9321832439 -1.5 1.0999999999 0.6306786357 0.0759137731 -20.25604312 -18.00706717 -22.02681937 -9.41294012 0 0 -19.56662362 0 0 0 0 -0.41448886 -2.87439019 0.14681053 -1.29862743 1.158E-9 2.5899999999E-9 5.7909999999E-9 1.2949999999E-8 2.8949999999E-8 6.474E-8 1.448E-7 3.2369999999E-7 7.239E-7 0.0000016189999999 0.000003619 0.000008093 0.0000181 0.00004047 0.00009048 88-21-1 6926 144208154 A A Orthanilic acid Nc1ccccc1S(O)(=O)=O Tox21_200956 -NCGC00257904-01 196730598 tox21-ror-cho-viability-p1 set3 4 78.2127246844 -27.633720072 -2 -29.633720072 4.9549173134 0.6520134085 0.0629741523 -6.34573478 -6.91514078 1.35150976 -5.3770336 -4.85121334 3.09292793 -0.43975004 2.25522597 0 0 0 0 -10.62998159 -1.21431583 -23.02810006 1.196E-9 2.6749999999E-9 5.982E-9 1.338E-8 2.9909999999E-8 6.6879999999E-8 1.496E-7 3.344E-7 7.478E-7 0.0000016719999999 0.0000037389999999 0.00000836 0.00001869 0.000041799999999 0.00009347 645-49-8 5356785 144207548 A A cis-Stilbene C(=C\c1ccccc1)\c2ccccc2 Tox21_200350 -NCGC00260340-01 196702932 tox21-ror-cho-viability-p1 set1 4 5.0223215 0.59278244 -0.46358369 4.43877372 1.39455786 3.6185481 2.32583426 7.84308935 1.14815982 -0.14600924 -2.84295565 2.94199976 -0.2870623 0.02869621 2.49720956 5.952E-11 1.331E-10 2.976E-10 6.654E-10 1.4879999999E-9 3.3269999999E-9 7.44E-9 1.664E-8 3.7199999999E-8 8.318E-8 1.86E-7 4.1589999999E-7 9.3E-7 0.000002079 0.00000465 124-25-4 31291 144209992 Fns Tetradecanal CCCCCCCCCCCCCC=O Tox21_202794 -NCGC00259311-01 196703328 tox21-ror-cho-viability-p1 set1 -1.1 6.0819863345 -109.9675113127 0.5161271038 -109.4513842089 1.0999999999 0.9894751929 1.1E-9 2.44145741 1.47704046 0.5734299 -0.06330487 0.16190087 0.29071402 -1.47181363 -9.23831132 -7.52109907 -20.58214129 -42.38585965 -54.28679944 -93.68125216 -97.49328156 -100.78396336 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.938E-8 6.568E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.000041049999999 0.0000918 548-62-9 11057 144208960 A A Gentian Violet [Cl-].C/[N+](C)=C1\C=C\C(C=C1)=C(/c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C Tox21_201762 -NCGC00357186-01 196702917 tox21-ror-cho-viability-p1 set1 4 2.07261694 0.40575464 1.33859639 1.08771052 -1.53684774 1.78932769 2.16125357 6.47764794 -2.22955549 0.44502519 0.7372628 2.32819598 2.6167209 4.17190548 4.3979714 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90325-47-6 2724429 251919988 A 1,2,3-Hexanetriol CCCC(O)C(O)CO Tox21_303952 -NCGC00357287-01 196702929 tox21-ror-cho-viability-p1 set1 4 0.15389278 2.32028496 0.48189467 3.02980222 0.51876493 -2.57682904 -1.01306018 -0.83971818 -0.00183017 0.83942471 -0.39828743 0.36043422 0.9103625 0.8260882 2.68621256 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-75-0 24723 251919666 A Demeton-S CCOP(=O)(OCC)SCCSCC Tox21_303989 -NCGC00357063-01 196703329 tox21-ror-cho-viability-p1 set1 4 38.5707788719 -19.35714764 -0.5 -19.85714764 0.7999999999 0.3559074442 0.3307111015 -0.11411991 -1.55373977 5.84519899 -8.82840679 -3.73796822 0.69333424 6.87548886 -1.22042628 -1.89627502 -4.48247472 -7.27767685 -1.69313009 -4.00528492 -13.2142897 0.40180635 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51200-87-4 62010 251919705 Fns 4,4-Dimethyloxazolidine CC1(C)COCN1 Tox21_303770 -NCGC00260376-01 196703336 tox21-ror-cho-viability-p1 set1 4 -3.52172165 -2.64975426 -4.11987489 -1.11682026 -6.44438859 -5.42161114 -10.60052264 -4.7077792 -9.50566314 -0.00557102 -3.28197246 -10.54624824 -8.90656209 -8.73639672 -3.67601431 1.194E-9 2.6689999999E-9 5.969E-9 1.335E-8 2.985E-8 6.6739999999E-8 1.4919999999E-7 3.337E-7 7.4609999999E-7 0.000001668 0.0000037309999999 0.000008342 0.00001865 0.00004171 0.000093269999999 3934-20-1 77531 144210028 Z F Pyrimidine,2,4-dichloro- Clc1ccnc(Cl)n1 Tox21_202830 -NCGC00260621-01 196703338 tox21-ror-cho-viability-p1 set1 4 -0.19923982 3.20418302 -0.87524563 3.70907937 5.20968283 0.51581698 -0.36024798 -0.1884362 -0.13628381 -0.30678454 -0.80640759 -1.05531241 0.36651995 3.06658349 0.73164287 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49517 144210274 M M NTP Mix97 ER1 10-EQC Tox21_203076 -NCGC00260354-01 196703343 tox21-ror-cho-viability-p1 set1 4 12.1475525392 -11.9754362599 1.5 -10.4754362599 2.7202212143 0.8521947246 0.0033251785 3.57452793 2.13034451 2.04167882 2.47746933 -0.61908221 0.16989359 -0.44416792 0.6076264 2.59414109 0.96904113 3.16977414 -0.03947048 -9.56286355 -8.57037336 0.76686533 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.9409999999E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.0000411 0.00009189 15646-46-5 1712094 144210006 Cc D Oxazolone O=C1OC(=N/C1=C\OCC)c2ccccc2 Tox21_202808 -NCGC00260371-01 196703759 tox21-ror-cho-viability-p1 set1 4 -4.87366179 -0.13118095 -5.92011206 0.89233435 2.39868933 2.47230056 -0.77297382 -2.82926689 0.41382381 -5.16780701 4.68612331 2.01697997 -1.50079241 -6.85884578 2.09938431 2.954E-10 6.6049999999E-10 1.477E-9 3.303E-9 7.385E-9 1.651E-8 3.6929999999E-8 8.257E-8 1.8459999999E-7 4.128E-7 9.231E-7 0.000002064 0.0000046159999999 0.00001032 0.000023079999999 3508-00-7 19022 144210023 Fns Heptadecane,1-bromo- BrCCCCCCCCCCCCCCCCC Tox21_202825 -NCGC00161602-06 196704161 tox21-ror-cho-viability-p1 set1 -2.4 33.4914596268 -32.310713764 1 -31.310713764 4.9549173134 0.9782803257 7.7E-8 0.55058441 1.47166703 0.98709256 0.86997802 -1.38166509 0.07312154 1.44157828 2.43083854 1.56414227 0.78860714 -0.55445761 -0.16139102 1.36902279 -0.57783374 -26.09226147 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10592-13-9 54685920 170465097 B Doxycycline Cl.NC(=O)C=3C(=O)[C@@]4(O)C(O)=C2C(=O)c1c(O)cccc1[C@H](C)[C@H]2[C@H](O)[C@H]4[C@@H](C=3O)N(C)C Tox21_110566_1 -NCGC00262963-01 196704163 tox21-ror-cho-viability-p1 set1 4 33.4914596268 10.24347732 -0.74347732 9.5 4.9549173134 0.7079663963 0.0358057859 -0.9760726 0.08100496 -1.57951947 -1.16572143 -0.66974199 0.84262182 0.75702285 -1.45888292 0.80467161 -3.5362311 -3.32661073 0.89417877 0.38622466 -0.44458612 7.80800735 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69123-90-6 50312 170466497 Ac F Fiacitabine IC1=CN(C(=O)N=C1N)[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F Tox21_113954 -NCGC00016961-06 196704165 tox21-ror-cho-viability-p1 set1 -2.4 13.3331902297 -28.3937477679 1 -27.3937477679 3.1319983358 0.991986932 2E-10 0.50948902 0.95108641 2.90598382 0.81622274 -0.46365853 1.38339363 -0.09478723 1.53820914 0.56136424 1.07734898 1.54082356 0.48222283 -5.97580407 -21.54173261 -27.82812314 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 95233-18-4 74989 170464681 A Atovaquone Clc1ccc(cc1)[C@H]2CC[C@@H](CC2)C=4C(=O)c3ccccc3C(=O)C=4O Tox21_110714_1 -NCGC00166149-02 196704946 tox21-ror-cho-viability-p1 set1 4 -0.29772134 1.1840668 0.20865333 0.83375573 1.51838341 0 1.15706998 0.83430767 -0.48455608 -0.67549982 0.44631327 2.68520398 1.70136011 0.60714795 4.03461901 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 150824-47-8 3034287 170466859 A (E)-Nitenpyram Clc1ccc(CN(CC)C(=C\[N+]([O-])=O)\NC)cn1 Tox21_112342_1 -NCGC00253723-01 196704532 tox21-ror-cho-viability-p1 set1 4 0.83733624 -0.90176063 -0.08115955 0.04249366 -0.43376065 1.2936236 -1.43731225 0.98128372 0.28443546 1.25672542 4.78075462 -0.29493834 1.77529254 2.04078924 0.07064758 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4093-31-6 77721 170466771 A A Methyl 4-acetamido-5-chloro-o-anisate Clc1cc(c(cc1NC(C)=O)OC)C(=O)OC Tox21_113842 -NCGC00168254-02 196704534 tox21-ror-cho-viability-p1 set1 4 0.01861422 1.05395021 2.41759009 0.25240015 0.8553989 -0.24836715 1.83737093 1.25948327 0.41658386 0.19245146 -0.0285317 0.9463815 0.48665993 -5.43857206 -4.73169045 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59467-96-8 43032 170465015 A Midazolam hydrochloride Cl.Fc4ccccc4C2=NCc1cnc(C)n1c3ccc(Cl)cc23 Tox21_112613_1 -NCGC00091050-09 196704543 tox21-ror-cho-viability-p1 set1 -1.1 0.421632496 -90.2114746405 -0.754539373 -90.9660140135 3.0654483358 0.9950088213 0 -0.17702641 -0.57896902 -1.98293711 -1.00857545 -3.88200591 -2.7485657 0.66053109 -3.54114413 -34.53320637 -88.74487609 -91.88486264 -87.2906742 -91.55205757 -91.36682575 -86.13341014 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62-38-4 16682730 170465524 F Phenylmercuric acetate CC(=O)O[Hg]c1ccccc1 Tox21_111068_1 -NCGC00166212-02 196704947 tox21-ror-cho-viability-p1 set1 4 1.42132004 0.08391229 -0.07842633 -1.99334405 0.91970977 1.10559543 -0.23344238 0.67968131 3.1415415 0.96614143 0.06226443 2.36062317 1.81485546 1.01658374 0.98301816 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 615-74-7 12008 170466879 F 2-Chloro-5-methylphenol Cc1ccc(Cl)c(O)c1 Tox21_112350_1 -NCGC00091695-03 196704948 tox21-ror-cho-viability-p1 set1 4 0.20453878 0.59893217 0.49374675 -4.06057831 -0.76324659 -5.80996706 1.05538844 0.52963014 -3.85947549 0.81803485 0.09408182 2.05056012 -3.37006165 3.4775126 2.17777861 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112-24-3 5565 170465257 Z Triethylenetetramine NCCNCCNCCN Tox21_111162_1 -NCGC00182031-01 196704951 tox21-ror-cho-viability-p1 set1 4 0.46735454 2.84019201 0.08523499 0.53829641 1.76274595 -4.77091296 0.57677629 -2.47103809 0.4536484 1.22840388 0.28975354 0.52928323 -1.95986186 -6.15839548 -4.42854298 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 40054-69-1 3307 144206484 A A Etizolam Clc1ccccc1C4=NCc2nnc(C)n2c3sc(cc34)CC Tox21_112931 -NCGC00159423-03 196704959 tox21-ror-cho-viability-p1 set1 4 -2.7549612 0.6951502 -0.28507051 -1.75692436 -1.57175414 1.57236455 2.96892476 -2.08022181 1.91918741 -4.51780809 -0.7768087 3.58887571 1.83877197 1.79436068 5.04547261 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84-80-0 5284607 170464798 F Phytonadione CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(\C)=C\CC2=C(C)C(=O)c1ccccc1C2=O Tox21_111655_1 -NCGC00164495-02 196704960 tox21-ror-cho-viability-p1 set1 4 0.0010590929 9.84523982 -8.84523982 1 3.9294729863 0.7047323537 0.0371467715 -7.78769985 -1.74098288 2.36085102 -1.715332 0.21094403 2.49325356 -1.75760144 -0.12928884 -0.04617306 2.546128 0.36687113 1.91019576 1.85576635 -0.13849253 2.3576305 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 555-90-8 6474573 170466536 A Nicothiazone NC(=S)N\N=C\c1cccnc1 Tox21_112133_1 -NCGC00091210-02 196701649 tox21-ror-cho-viability-p1 set1 4 2.1689942904 -13.274558008 -2.5 -15.774558008 0.7 0.7159327229 0.031496627 -5.1084405 -3.51826103 -0.63509563 4.60461865 -7.05945768 -4.52940688 -7.64408998 -6.4898453 -3.94016713 -6.55145417 -11.76752835 -10.84361415 -16.47879834 -14.21047407 -13.73581766 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00257886-01 196701638 tox21-ror-cho-viability-p1 set1 4 0.009158958 -6.543408696 -2 -8.543408696 1.0999999999 0.3467483481 0.3411706682 -1.13984257 -5.1572268 -7.94009541 0.97426105 -10.29341527 -7.67319871 -10.19337912 -10.38536734 -5.90524923 -11.70284058 -9.95862018 -8.4912287 -7.48945631 -5.30509145 -3.34050031 1.126E-9 2.5189999999E-9 5.6319999999E-9 1.259E-8 2.816E-8 6.297E-8 1.408E-7 3.149E-7 7.04E-7 0.000001574 0.0000035199999999 0.000007871 0.0000176 0.000039359999999 0.000088 57-53-4 4064 144207530 A A Meprobamate O=C(N)OCC(C)(COC(=O)N)CCC Tox21_200332 -NCGC00258150-01 196701645 tox21-ror-cho-viability-p1 set1 -2.2 61.130564862 -64.5139799143 -4.230449668 -68.7444295823 0.9999999999 0.8465917766 0.0024921672 -4.39197798 -2.66575053 -2.33344188 -0.54766399 0.22538336 -0.15026586 -6.95731092 -7.85437291 -3.2781875 -11.1982988 -15.25633791 -13.61541798 -18.56981308 -18.7380541 -52.07911332 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 219947-93-0 10250129 144207794 A A 1-Dodecyl-3-methylimidazolium hexafluorophosphate F[P-](F)(F)(F)(F)F.C[n+]1ccn(CCCCCCCCCCCC)c1 Tox21_200596 -NCGC00254016-01 196714750 tox21-ror-cho-viability-p1 set2 4 46.3441620312 -20.4059796839 -2.426566532 -22.8325462159 0.5 0.6253341084 0.0799266384 -0.8516721 -2.27071376 -2.51858246 -0.35547211 -7.53729796 -3.67583109 -3.98017904 -8.45552334 -7.92930853 -5.85080041 -0.41278427 -7.65273649 -11.90742641 -10.03763635 -17.36045518 1.135E-9 2.5379999999E-9 5.674E-9 1.269E-8 2.837E-8 6.3439999999E-8 1.419E-7 3.1719999999E-7 7.093E-7 0.000001586 0.000003547 0.0000079299999999 0.000017729999999 0.000039649999999 0.00008866 20325-40-0 62311 144210634 FNS 3,3'-Dimethoxybenzidine dihydrochloride Cl.Cl.Nc1ccc(cc1OC)c2ccc(N)c(OC)c2 Tox21_300315 -NCGC00254485-01 196714336 tox21-ror-cho-viability-p1 set2 4 -0.61766486 0.58075146 -0.02319062 0.22343894 2.95125126 -0.6897648 2.17234475 4.01924671 -0.5138222 3.79578047 2.98045526 3.20007463 4.09213635 4.26635403 0.17392962 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-69-5 7670 144210922 A D N-Ethylaniline CCNc1ccccc1 Tox21_300605 -NCGC00254885-01 196714742 tox21-ror-cho-viability-p1 set2 -1.1 30.6378586933 -66.9995745091 -3.012605953 -70.0121804621 4.9549173134 0.9691239766 5.713E-7 -2.05933796 -6.05746768 -0.60175674 -6.04022139 -3.60422322 -2.23066708 -4.53668076 -4.21439649 -1.09107811 -8.89174619 -2.44839734 -4.30267498 1.48666692 -65.0280754 -68.63939261 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 587-65-5 11485 144211300 A B 2-Chloro-N-phenylacetamide O=C(Nc1ccccc1)CCl Tox21_300983 -NCGC00254416-01 196714749 tox21-ror-cho-viability-p1 set2 4 -0.99418992 -0.71861197 0.83584013 0.23968973 -1.30925884 1.55200934 0.01638344 0.43049805 -1.35852532 2.03900328 -1.65958749 2.2821086 5.18732416 -0.14247435 4.40738821 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-59-7 5144 144210838 A A Safrole C=CCc1ccc2OCOc2c1 Tox21_300520 -NCGC00254408-01 196715159 tox21-ror-cho-viability-p1 set2 4 2.6535847 1.31335228 -0.89291524 2.66210579 1.79703413 0.76249748 1.49649391 0.85807212 0.32194203 -0.31703201 -1.33902906 -0.15011351 -0.00886326 0.8122001 -2.48322444 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 115-86-6 8289 144210822 A A Triphenyl phosphate O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3 Tox21_300504 -NCGC00253953-01 196715163 tox21-ror-cho-viability-p1 set2 4 -5.53212135 -4.47812124 1.76975058 3.57374634 -0.08184709 1.22391783 -1.0140494 -1.07713966 0.04228957 -1.9683582 -1.18616803 -0.74638877 -0.4852811 -3.43896834 -6.93901732 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-83-2 8449 144210360 A A 2,4-Dichlorophenol Clc1cc(Cl)c(O)cc1 Tox21_300040 -NCGC00260175-01 196711461 tox21-ror-cho-viability-p1 set2 -1.1 27.3337914917 -98.4179815198 2.008646461 -96.4093350588 4.9549173134 0.9856541678 6.9E-9 -1.00209853 2.86979109 -1.10426789 0.99620985 -0.13423895 2.53963779 -0.64103797 1.13446674 0.92522716 -0.26723077 5.91336711 5.30415949 -1.57341362 -94.11049565 -94.51895594 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.476E-7 3.302E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.000092279999999 70862-65-6 2775940 144209825 A A 1,3-Didecyl-2-methylimidazolium chloride [Cl-].CCCCCCCCCC[n+]1ccn(CCCCCCCCCC)c1C Tox21_202627 -NCGC00260179-01 196711450 tox21-ror-cho-viability-p1 set2 2.4 54.2057602633 25.39492072 -0.89492072 24.5 3.9899729863 0.9392069002 0.0000244628 -2.22714855 0.11463276 -0.53487768 0.04292937 -0.90441979 -0.39135843 -0.0179912 -1.73861056 -2.84967643 -0.18521074 -0.42367089 2.23162111 -4.0791006 5.88108217 21.83184181 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.9369999999E-8 6.568E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.000003672 0.00000821 0.000018359999999 0.000041049999999 0.00009179 174899-90-2 21932259 144209829 A A 1-Ethyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide C[n+]1ccn(CC)c1C.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F Tox21_202631 -NCGC00260256-01 196711454 tox21-ror-cho-viability-p1 set2 2.4 68.3804186691 25.069350976 0.930649024 26 0.8999999999 0.8311640166 0.0038723601 0.58841532 1.38497717 1.31671532 -0.27270535 -1.30779248 4.01345718 1.24301667 2.00974175 1.6482066 3.94316574 1.53064205 4.57094862 3.80785644 7.82981172 19.27806207 1.177E-9 2.6319999999E-9 5.884E-9 1.316E-8 2.942E-8 6.579E-8 1.471E-7 3.29E-7 7.356E-7 0.000001645 0.0000036779999999 0.000008224 0.00001839 0.000041119999999 0.000091939999999 528818-82-8 60196394 144209906 A A 1-Methyl-1-propylpyrrolidinium chloride [Cl-].C[N+]1(CCC)CCCC1 Tox21_202708 -NCGC00090962-05 196711459 tox21-ror-cho-viability-p1 set2 4 0.0271394921 8.8119274039 -0.8119274039 8 2.7202212143 0.3694112528 0.3173935701 -3.17660617 -0.52708997 0.13158269 1.83702134 0.9843366 12.98378462 15.20082033 16.10269159 11.81740531 3.31550976 10.52271074 3.01152047 2.0160865 -1.31249981 -4.07027526 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00091351-03 196711862 tox21-ror-cho-viability-p1 set2 4 80.1786605627 22.309859568 -4.309859568 18 4.9549173134 0.682752871 0.0464997863 -2.62520052 -7.46787017 -4.9626317 -9.02338779 -4.55961504 -4.43283007 -3.85550709 -9.84154964 -4.86313362 -2.72483037 -4.095701 0.68767539 0 -3.56779241 11.69223455 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00260656-01 196711874 tox21-ror-cho-viability-p1 set2 -2.2 21.1316824289 -36.5834736959 1 -35.5834736959 3.0654483358 0.9729526265 2.7E-7 3.41806317 -1.6559354 3.11723853 -1.35574388 3.03172366 -0.23111355 0.07185565 -0.52839212 2.18257249 0.62771132 0.45543983 0.00573803 -1.32708255 -16.21378351 -32.98622808 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49552 144210309 M M NTP Mix22 AR2 2-EQP Tox21_203111 -NCGC00094521-05 196701694 tox21-ror-cho-viability-p1 set1 4 -3.15324512 0.0650897 -4.64220832 -0.40235838 0.16196986 -8.42304368 -0.17701745 -8.60417485 -1.90467437 -3.02093598 -13.37660392 -6.08043274 -10.74207765 -3.54620358 -7.03829253 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00258428-01 196702124 tox21-ror-cho-viability-p1 set1 4 -6.35551567 -10.4771651 -0.37848494 4.95746976 -7.58742219 -5.17576561 0.21120388 -8.08387933 0.22174971 0.10068271 1.92444051 -3.43289488 0.64986406 0.61381503 2.63237692 1.214E-9 2.7139999999E-9 6.0679999999E-9 1.357E-8 3.034E-8 6.7839999999E-8 1.517E-7 3.3919999999E-7 7.5849999999E-7 0.000001696 0.0000037919999999 0.00000848 0.00001896 0.000042399999999 0.00009481 75-66-1 6387 144208072 C 2-Methyl-2-propanethiol CC(C)(C)S Tox21_200874 -NCGC00258421-01 196702103 tox21-ror-cho-viability-p1 set1 4 -5.39746223 -4.2005979 -3.49763158 0.74391894 -2.56478284 -3.12921995 -0.59379113 -1.1167287 -2.94911614 -1.32485204 1.27747993 0.24732363 0.57276196 1.02269845 -0.00746342 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004127 0.00009229 6533-68-2 20055509 144208065 A A Scopolamine hydrobromide trihydrate Br.O.O.O.OC[C@H](c1ccccc1)C(=O)O[C@H]2C[C@@H]3N(C)[C@H](C2)[C@H]4O[C@@H]34 Tox21_200867 -NCGC00257647-01 196702114 tox21-ror-cho-viability-p1 set1 -3 68.7989315376 -45.9053966724 -1.5505247459 -47.4559214183 3.5722481694 0.8133641059 0.0059318068 -4.32020739 3.43560159 -3.12799231 2.4168812 -2.59333411 0.75085294 -1.9081174 4.55379184 4.24877749 -5.23748243 -3.61258776 -5.29535839 -11.56377116 -6.9018966 -35.95145562 1.183E-9 2.644E-9 5.913E-9 1.322E-8 2.9559999999E-8 6.611E-8 1.4779999999E-7 3.305E-7 7.3909999999E-7 0.0000016529999999 0.0000036949999999 0.000008263 0.00001848 0.00004132 0.00009239 4759-48-2 5282379 144207291 I D 13-cis Retinoic acid CC=1CCCC(C)(C)C=1/C=CC(\C)=C\C=CC(/C)=C\C(=O)O Tox21_200093 -NCGC00258065-01 196702525 tox21-ror-cho-viability-p1 set1 4 54.4272718766 -14.27889306 2 -12.27889306 2.5334283767 0.619432107 0.0842802464 2.36369804 0.76626317 0.50373252 0.29533747 -0.25527223 2.09090258 1.35898088 -1.34138184 9.17660658 3.82799785 2.05943553 2.68093321 0.07904134 -2.40490201 -9.39907755 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 842-07-9 5858445 144207709 A A C.I. Solvent Yellow 14 Oc3ccc1ccccc1c3/N=N/c2ccccc2 Tox21_200511 -NCGC00257705-01 196702537 tox21-ror-cho-viability-p1 set1 4 8.5649009 5.36636675 0.67380474 -1.85842148 5.7179851 -9.33507579 -0.01402793 -1.36237145 12.15653482 -0.59888303 6.64810434 0 4.94425956 -0.61699735 -2.5337282 1.189E-9 2.658E-9 5.9439999999E-9 1.3289999999E-8 2.9719999999E-8 6.6449999999E-8 1.486E-7 3.323E-7 7.4299999999E-7 0.0000016609999999 0.0000037149999999 0.000008307 0.00001857 0.00004153 0.00009287 36322-90-4 54676228 144207349 A B Piroxicam OC=2c1ccccc1S(=O)(=O)N(C)C=2C(=O)Nc3ccccn3 Tox21_200151 -NCGC00090910-03 196702937 tox21-ror-cho-viability-p1 set1 4 0.0016092128 8.662188972 -8.662188972 0 4.9549173134 0.3711799498 0.3192922665 -7.21849081 2.11604195 1.91494893 -4.58207696 1.440769 -0.78451637 0.46409208 -4.39032762 -0.36567648 0.96041543 -1.14681961 0.61103655 4.90055569 0.66333913 -4.01923344 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00260382-01 196703350 tox21-ror-cho-viability-p1 set1 -2.4 68.938530308 -34.9066667039 -4 -38.9066667039 0.8999999999 0.7170783969 0.0309244171 -5.85000349 -5.41963025 -1.67727567 -7.56350321 -9.66180108 0.84449871 -1.05246237 -7.58773977 -6.76705078 -9.3421445 -0.0178078 -6.92824165 -6.951651 -17.21296709 -29.08888892 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.961E-8 6.622E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001655 0.000003702 0.0000082769999999 0.00001851 0.00004139 0.00009254 494-19-9 10308 144210034 A A 10,11-Dihydro-5H-dibenz[b,f]azepine c1cc2Nc3ccccc3CCc2cc1 Tox21_202836 -NCGC00357025-01 196703353 tox21-ror-cho-viability-p1 set1 4 0.68162817 -2.47180093 1.04943426 -0.86687777 3.52430601 -5.18181169 -1.28062015 0.30303383 1.80659663 -0.87863335 -2.19516525 1.55472877 -5.6950392 1.20827897 -3.04502443 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16484-77-8 185588 251919712 A Mecoprop-P Clc1cc(C)c(O[C@H](C)C(=O)O)cc1 Tox21_303709 -NCGC00259257-01 196703360 tox21-ror-cho-viability-p1 set1 -2.1 19.4295177126 -85.4087897746 -5.39832014 -90.8071099146 3.0654483358 0.9724745117 9.595E-7 -0.69218527 -10.21502323 -8.27959992 -6.26588787 -6.10566171 -11.67979777 -6.36688966 -10.03737032 -0.84765407 -4.46529348 0.36707809 -8.96801709 -44.26016167 -83.61612331 -36.51413085 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.626E-8 1.482E-7 3.3129999999E-7 7.408E-7 0.000001656 0.000003704 0.000008282 0.00001852 0.000041409999999 0.000092599999999 156-10-5 9074 144208906 C A 4-Nitrosodiphenylamine O=Nc2ccc(Nc1ccccc1)cc2 Tox21_201708 -NCGC00260104-01 196703369 tox21-ror-cho-viability-p1 set1 -2.1 29.5398874859 -80.2275959576 -1.51412432 -81.7417202776 3.2974983358 0.9747341703 1.823E-7 -1.70829466 -0.71005708 2.5861821 -2.9606874 -0.47509475 -0.36883734 -0.34182365 3.67956044 -2.88568636 -5.19676329 -0.6757669 -5.46973697 -7.76840642 -18.33954687 -66.46168276 5.848E-10 1.3079999999E-9 2.924E-9 6.538E-9 1.4619999999E-8 3.269E-8 7.31E-8 1.635E-7 3.655E-7 8.173E-7 0.0000018269999999 0.000004086 0.000009137 0.00002043 0.00004569 112-02-7 8154 144209753 A A Hexadecyl trimethyl ammonium chloride [Cl-].C[N+](C)(C)CCCCCCCCCCCCCCCC Tox21_202555 -NCGC00164077-02 196703777 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -11.89206712 0 -11.89206712 4.9549173134 0.4646616051 0.2130901352 1.1573161 -1.60661767 1.77999437 0.8232305 0.44459757 -2.93235238 3.32854998 0.09165704 -1.62862361 1.65233089 -6.26223253 -1.82057619 0.29654977 1.97972702 -9.0767226 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00356970-01 196703322 tox21-ror-cho-viability-p1 set1 -3 61.130564862 -40.1486311519 1.5 -38.6486311519 4.5044702849 0.9385919617 0.0000256773 -0.37063499 0.32746524 1.090782 2.85319303 -0.87091026 -2.92026259 2.47666514 5.44376619 -2.23558886 1.74061942 3.15842927 3.7942571 2.54152048 -4.02386179 -33.04052596 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 609-23-4 11862 251919660 A 2,4,6-Triiodophenol Ic1cc(I)c(O)c(I)c1 Tox21_303909 -NCGC00260067-01 196702906 tox21-ror-cho-viability-p1 set1 4 -2.62070998 -2.84353573 -9.73008438 -6.96488581 -3.35834663 -8.67295322 -3.77594741 -5.81480939 0.18600953 -9.83999622 -6.68871416 -6.89516206 -7.72311102 -7.28632196 -14.22617997 5.928E-10 1.3259999999E-9 2.964E-9 6.628E-9 1.482E-8 3.314E-8 7.41E-8 1.6569999999E-7 3.705E-7 8.285E-7 0.0000018529999999 0.000004142 0.000009263 0.00002071 0.00004631 39025-23-5 6450278 144209716 A A Guggulsterone Z C\C=C4/C(=O)C[C@@H]3[C@]4(C)CC[C@H]2[C@H]3CCC1=CC(=O)CC[C@@]12C Tox21_202518 -NCGC00260362-01 196703307 tox21-ror-cho-viability-p1 set1 4 2.23245239 3.90392773 3.23063115 5.68240546 1.7649396 0.27976651 8.05369093 1.39641081 -14.48006383 3.37026567 7.72734948 -0.45201663 8.56681729 2.28656338 4.05205414 1.189E-9 2.6589999999E-9 5.945E-9 1.3289999999E-8 2.9719999999E-8 6.646E-8 1.486E-7 3.323E-7 7.4309999999E-7 0.000001662 0.0000037149999999 0.0000083079999999 0.000018579999999 0.00004154 0.000092879999999 2473-01-0 17185 144210014 Ac Fns Nonane,1-chloro- CCCCCCCCCCl Tox21_202816 -NCGC00260647-01 196703308 tox21-ror-cho-viability-p1 set1 4 0.03569097 1.86709756 -0.71465313 1.4235254 -0.29428929 1.49322764 7.78902082 5.90073345 8.40950232 -0.49385585 5.39926724 0.22663766 5.19052335 1.15881174 1.82461939 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49543 144210300 M M NTP Mix88 ER AR1 18-EQP Tox21_203102 -NCGC00259806-01 196703735 tox21-ror-cho-viability-p1 set1 -2.2 48.4589889209 -55.6767121756 -1.5130499 -57.1897620756 1.4641 0.9260663125 0.0000685512 0.96191418 -5.93235948 -0.75907979 1.80492167 0.16334913 -0.01120192 -0.81418824 0.54580676 0.31538068 -9.11283002 -1.6824985 -11.0433029 -10.0180822 -23.19149638 -43.32557733 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018399999999 0.00004115 0.000092019999999 33229-34-4 36383 144209455 A A HC Blue 2 OCCN(CCO)c1ccc(NCCO)c(c1)[N+]([O-])=O Tox21_202257 -NCGC00260028-01 196704135 tox21-ror-cho-viability-p1 set1 -2.1 63.9386270414 -119.8320347804 -4.381405696 -124.2134404764 2.3331733767 0.9198645301 0.0001040981 4.71296569 0.27292467 1.29736311 -5.18308628 0.82213521 0.43069872 0.6880534 0.12962218 -8.93648947 -13.00246762 -14.82065455 -17.71609883 -19.01296098 -32.95891013 -94.10109127 1.2249999999E-9 2.7399999999E-9 6.126E-9 1.37E-8 3.063E-8 6.8489999999E-8 1.532E-7 3.425E-7 7.658E-7 0.0000017119999999 0.000003829 0.000008561 0.00001914 0.00004281 0.00009572 75-07-0 177 144209677 D Acetaldehyde CC=O Tox21_202479 -NCGC00260495-01 196704144 tox21-ror-cho-viability-p1 set1 4 4.74986874 3.90050221 4.1790028 6.9653811 1.04650605 1.49567349 3.64516534 7.50546917 3.60800764 4.69745683 3.54272393 0.9250152 6.52759268 -2.89027675 6.68698056 1.187E-9 2.6549999999E-9 5.937E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 90-44-8 7018 144210147 F I Anthrone O=C1c3ccccc3Cc2ccccc12 Tox21_202949 -NCGC00094521-05 196704151 tox21-ror-cho-viability-p1 set1 4 54.4826732819 -12.88734038 -1 -13.88734038 3.0654483358 0.5394675415 0.1454168006 -3.27800068 -0.99451622 -2.99980407 0.52264648 -0.9404369 2.40891944 -7.99476387 1.10020224 2.92506774 -2.81036139 0.52728856 0.0803375 -0.59581799 -5.16726359 -11.57278365 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00090691-03 196704546 tox21-ror-cho-viability-p1 set1 4 37.5780357627 9.8802482241 0.1197517759 10 4.9549173134 0.4415704241 0.2365516751 1.57520049 -2.32660292 -1.40776436 0.31277168 0.03063915 -1.26757143 -1.92962251 4.65769089 0.41634977 1.37465368 2.06627575 2.63309291 -2.81687352 0.57735254 7.20820588 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69655-05-6 50599 170464863 A 2',3'-Dideoxyinosine O=C3NC=Nc2c3ncn2[C@H]1CC[C@@H](CO)O1 Tox21_111732_1 -NCGC00015060-14 196704548 tox21-ror-cho-viability-p1 set1 4 43.0131963229 13.1870090359 -4.1870090359 9 0.7 0.5697054206 0.1208786951 -6.37815805 -4.86651336 -8.07250753 -3.76941183 2.04713092 -6.14614686 -3.5886986 -3.58450193 -1.82764567 -3.00798469 -0.7955843 -1.44980032 -0.82578156 -0.14861102 7.34910706 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00253579-01 196704557 tox21-ror-cho-viability-p1 set1 4 -4.67183724 -0.22835605 1.39424425 -2.45085797 0.36426085 0 2.0422511 -1.5476389 -0.47270318 0.74650078 0.75320103 -14.21724562 -1.14448852 -0.1929053 0.69413857 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1986-53-4 16141 170465909 F A Bolandiol dipropionate CCC(=O)O[C@H]2CCC3C4CCC1(C)C(CC[C@@H]1OC(=O)CC)C4CCC3=C2 Tox21_113721 -NCGC00260411-01 196703754 tox21-ror-cho-viability-p1 set1 4 0.3027484266 4.2429919559 -3.2429919559 1 4.9549173134 0.4681783042 0.2102292117 -3.05838472 -5.96748817 -4.33592084 0.41478758 -2.66318002 -1.6859002 -2.74913775 -7.28582663 1.31107039 -1.65340315 0.13975254 3.55455575 -2.10398744 1.72006833 2.714428 5.969E-10 1.335E-9 2.9849999999E-9 6.674E-9 1.4919999999E-8 3.3369999999E-8 7.462E-8 1.6679999999E-7 3.7309999999E-7 8.342E-7 0.000001865 0.000004171 0.0000093269999999 0.00002086 0.00004664 693-67-4 12744 144210063 F Fns 1-Bromoundecane BrCCCCCCCCCCC Tox21_202865 -NCGC00183014-01 196713534 tox21-ror-cho-viability-p1 set2 4 -8.32528887 -5.01659735 -6.73370539 -4.89271332 -2.21019134 -7.88572082 -3.58247941 -4.49104501 -1.46577745 -2.08086822 -1.65293148 -1.1452596 -3.29579029 -4.16075156 -7.12135096 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3772-76-7 19596 144206847 A A Sulfamethomidine Cc2nc(NS(=O)(=O)c1ccc(N)cc1)cc(OC)n2 Tox21_113296 -NCGC00181786-02 196712700 tox21-ror-cho-viability-p1 set2 4 -6.13946322 -5.90474636 0.99708495 1.52410225 -6.38054094 -0.45790131 0.08211823 -5.64303124 -4.97639414 1.62218146 -6.1503984 -12.23976285 -10.07920863 -3.85104836 -3.71065416 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 143388-64-1 60875 170465423 A Naratriptan hydrochloride Cl.CN1CCC(CC1)c2cnc3ccc(CCS(=O)(=O)NC)cc23 Tox21_113617_1 -NCGC00021569-09 196712708 tox21-ror-cho-viability-p1 set2 4 1.61746765 2.89174806 3.58140891 2.68770101 -0.65671856 2.52204282 3.45474407 0.26277786 0.27479438 0.89339327 -1.68943812 -0.44866343 1.04608522 3.54979815 2.64606496 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 75847-73-3 5388962 170464969 Ac Enalapril maleate OC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N[C@@H](CCc1ccccc1)C(=O)OCC Tox21_110872_1 -NCGC00016819-05 196713122 tox21-ror-cho-viability-p1 set2 4 -3.07286404 -2.36434326 -1.24446201 -3.21137744 0.34541216 -3.58690347 -3.20538187 -1.43100276 -2.30589365 -2.20069332 -2.35701688 -1.10890594 0.7897744 0.4228772 -2.74347171 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33342-05-1 91610 170465581 A Gliquidone O=C(NC1CCCCC1)NS(=O)(=O)c2ccc(cc2)CCN4C(=O)c3cc(ccc3C(C)(C)C4=O)OC Tox21_110629_1 -NCGC00163818-04 196713935 tox21-ror-cho-viability-p1 set2 4 7.3148128947 -19.836014956 1 -18.836014956 0.6999999999 0.9044918528 0.0002573329 1.58190707 1.6035764 0.50603189 -0.49164278 -0.93883796 0.28387137 1.37760847 -0.64699976 0.59837565 -5.3822855 -11.47688975 -7.08369941 -11.91578043 -12.19476843 -18.19667913 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00254795-01 196713938 tox21-ror-cho-viability-p1 set2 4 0.0024336516 11.8388252039 -8.3388252039 3.5 0.3 0.4422902182 0.2349323377 -6.11568767 0.06555489 1.18088962 -1.364781 -3.0298742 1.11971874 3.92717196 0.184444 -0.18603801 0.396046 0.62613771 2.06558064 6.97715413 2.82055327 2.17146313 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-37-7 7650 144211208 A Ac Benzyl butyrate CCCC(=O)OCc1ccccc1 Tox21_300891 -NCGC00163903-03 196714359 tox21-ror-cho-viability-p1 set2 4 40.8964459334 12.304129964 -7.304129964 5 0.5 0.3045457995 0.3642555246 -8.04984111 -6.31149103 -12.18311881 -4.67743448 -1.62406923 -4.73649527 -13.58677497 -10.7092057 -1.28975912 0.46242555 -6.92977725 -6.04689275 -1.45307569 -3.23888466 2.72866424 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00253943-01 196714370 tox21-ror-cho-viability-p1 set2 4 0.0108156442 -7.205005588 -0.5 -7.705005588 4.9549173134 0.5961357221 0.1147194208 -0.09294596 -2.08177541 -0.53178567 0.34841161 -4.91927681 -7.24699046 -8.09396127 -10.10947935 -8.23374287 -12.67083799 -9.06242627 -4.95771363 -9.20318891 -0.55195861 5.95293335 4.9549999999E-10 1.1079999999E-9 2.477E-9 5.5399999999E-9 1.2389999999E-8 2.7699999999E-8 6.194E-8 1.385E-7 3.097E-7 6.9249999999E-7 0.000001548 0.000003462 0.000007742 0.00001731 0.00003871 83-67-0 5429 144210336 A A Theobromine Cn1cnc2c1C(=O)NC(=O)N2C Tox21_300016 -NCGC00254904-01 196714371 tox21-ror-cho-viability-p1 set2 4 -4.79825502 -5.33275161 -2.83177259 -3.79172196 0.72054062 -0.63042903 -8.51589977 -6.68002485 -3.78769583 -5.9988979 -3.30454937 -0.95756273 -5.08790652 -6.05472748 -0.03960657 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-51-7 24705 144211319 FC Octamethyltrisiloxane C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C Tox21_301002 -NCGC00260228-01 196711482 tox21-ror-cho-viability-p1 set2 4 -6.36165196 -10.96070917 -73.39822432 -21.48812313 -14.5069081 0 0 0 -30.06931728 0 -19.518808 -12.22166502 0 -16.97741822 -17.39030333 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.961E-8 6.622E-8 1.481E-7 3.311E-7 7.4029999999E-7 0.000001655 0.000003702 0.0000082769999999 0.00001851 0.00004138 0.00009254 13311-31-4 15932798 144209878 A A 1-Butyl-2-methylpyridinium iodide [I-].Cc1cccc[n+]1CCCC Tox21_202680 -NCGC00255858-01 196711060 tox21-ror-cho-viability-p1 set2 4 30.6378586933 -13.977856284 2 -11.977856284 0.6999999999 0.8857304182 0.0006413707 2.74836158 3.32877854 0.49191471 0.74479835 2.1261375 2.39954808 1.04582416 0.65841591 1.00376396 -0.4634139 0.37887917 -2.95751656 -3.29728989 -3.65111974 -9.14821357 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52756-22-6 40520 144211880 A A Flamprop-isopropyl Fc1ccc(cc1Cl)N(C(=O)c2ccccc2)C(C)C(=O)OC(C)C Tox21_301563 -NCGC00258388-01 196724438 tox21-ror-cho-viability-p1 set3 4 0.0060695657 7.3527289359 -6.3527289359 1 1.98874246 0.3492211324 0.3382021405 -5.19312418 -6.54394078 -0.99451086 -3.66481109 6.5615638 -4.36196222 3.58324084 -3.4836765 1.96744678 1.91068792 -2.23384621 5.24465925 1.26296429 0.10768737 -8.14247235 1.173E-9 2.622E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.3299999999E-7 0.0000016389999999 0.000003665 0.000008195 0.00001832 0.000040969999999 0.00009162 142-83-6 637564 144208032 FNS (2E,4E)-2,4-Hexadienal C\C=C\C=C\C=O Tox21_200834 -NCGC00066947-05 196724441 tox21-ror-cho-viability-p1 set3 4 0.1933118196 5.4001868559 -5.9001868559 -0.5 4.9549173134 0.4630160745 0.2306194761 -9.91682238 -4.25543583 -2.99061929 -5.8286133 -2.71914722 -8.1296721 -6.55201034 3.07373407 -2.13436951 -3.2261681 -1.54821909 -4.11385806 4.75718835 0.99353111 -7.46049231 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00260412-01 196724859 tox21-ror-cho-viability-p1 set3 4 -1.57840926 -2.96964921 2.46030389 -1.13374124 -4.71807514 -2.84109021 6.8871367 -1.70088405 -0.30816169 -3.70308586 7.09733835 1.95762837 -4.40024815 -3.9535493 5.8421603 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.486E-7 3.3239999999E-7 7.4319999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.0000929 6940-78-9 81364 144210064 F 1-Bromo-4-chlorobutane BrCCCCCl Tox21_202866 -NCGC00260666-01 196724862 tox21-ror-cho-viability-p1 set3 4 -3.20392582 1.62258144 -0.11558943 -4.34660372 2.66082362 -2.66348528 0.57414663 -2.49251005 8.27455046 -1.37368485 0.88468797 1.27588628 -2.03014108 -1.43645378 2.8278784 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49562 144210319 M M NTP Mix30 AR2 7-EQP Tox21_203121 -NCGC00096119-02 196725269 tox21-ror-cho-viability-p1 set3 4 4.7307944147 30.4208935079 -6.4208935079 24 0.2 0.5127275939 0.1671527728 -6.60074459 -4.73396477 -2.76022042 5.97609535 8.34945532 6.4660094 2.29557818 6.61205395 1.79298633 -2.73862512 3.90915348 5.90464071 7.55334269 15.27848511 17.41994593 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-63-9 6021 170465655 A Inosine Oc3ncnc2c3ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Tox21_111522_1 -NCGC00167540-03 196725277 tox21-ror-cho-viability-p1 set3 4 1.75782882 0.06321109 2.83663228 -2.21834867 1.91119405 -2.09995928 -3.04224278 -7.07277509 -4.98525517 3.27984619 -5.4747622 1.55714625 -0.18908043 0.64553278 0.17770002 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83-34-1 6736 170465747 F 3-Methylindole Cc2cnc1ccccc12 Tox21_112537_1 -NCGC00015675-11 196725282 tox21-ror-cho-viability-p1 set3 4 0 -1.99240812 1.82144405 0.45472801 -3.16595448 -2.91386376 1.5137181 0.28561388 -2.49207743 -0.04766653 1.68684808 -2.39364001 -2.84847921 1.64887123 1.4078151 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 78415-72-2 4197 170465221 A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_112113_1 -NCGC00166308-02 196725286 tox21-ror-cho-viability-p1 set3 1.4 0.0211316824 54.4962886845 -17.893562517 36.6027261675 0.3 0.6303754117 0.0701058055 -11.01099919 -2.30923338 0 0 30.07663423 24.42661075 2.94320392 9.42907248 15.10979461 12.92766924 27.23981445 35.7926357 25.77133228 32.04328895 32.42492731 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 91296-86-5 56205 170465623 A Difloxacin hydrochloride Cl.CN1CCN(CC1)c2cc3N(C=C(C(=O)O)C(=O)c3cc2F)c4ccc(F)cc4 Tox21_112405_1 -NCGC00357121-01 196724946 tox21-ror-cho-viability-p1 set3 4 48.5577336745 -10.5153140719 -0.5 -11.0153140719 3.0654483358 0.3962638504 0.2769902575 -0.02350807 1.04907474 2.97132247 -6.83573787 -1.55551509 4.26445115 -5.52846403 -0.70282656 -3.65811484 3.84624183 1.49159497 0.23356974 0.77599792 -4.69978619 -9.59609506 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 767-00-0 13019 251919943 A 4-Hydroxybenzonitrile N#Cc1ccc(O)cc1 Tox21_303855 -NCGC00263543-01 196705022 tox21-ror-cho-viability-p1 set1 4 0.2984929481 -14.5183071959 -0.5 -15.0183071959 4.9549173134 0.9143278459 0.0001477723 0.97186301 1.20071058 0.66633897 -2.20656746 -2.50123578 1.70911521 -5.48648677 -0.02946789 -12.07559415 -15.77491876 -17.09858933 -14.06440359 -15.78314129 -15.66362207 -11.12802671 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-22-7 5978 170465186 B Vincristine O=C(OC)[C@@]2(C[C@H]4C[C@@](O)(CC)C[N@@](CCc1c3ccccc3nc12)C4)c5cc9c(cc5OC)N(C=O)[C@@H]6[C@]98CCN7CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]6(O)C(=O)OC)[C@H]78 Tox21_112067_1 -NCGC00091009-05 196703785 tox21-ror-cho-viability-p1 set1 4 30.876334249 -14.506119108 -2 -16.506119108 3.1924983358 0.7892269907 0.0099701642 -0.76377251 -3.29145507 0.69152801 0.35620662 0.49046851 -3.87041911 -4.70766623 -2.71895892 -3.70697012 -6.79936466 -0.26222216 0.51135235 -4.65050891 -11.19041929 -17.08843259 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00357147-01 196703788 tox21-ror-cho-viability-p1 set1 4 2.91873693 -0.36179234 4.86032668 -0.90397526 -0.19251386 2.02006201 -1.30301004 -2.06687019 -15.60168729 2.26211394 4.92482758 2.72834277 0.66153511 -8.95054573 -0.36177959 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-80-1 7529 251919644 Ac 3-Methylstyrene Cc1cccc(C=C)c1 Tox21_303890 -NCGC00181039-02 196704186 tox21-ror-cho-viability-p1 set1 4 2.85443206 0.85853166 0.46322355 0.24800624 1.46319454 -4.31480037 0.3219005 -2.48550636 1.07821016 -0.29814997 -2.89657928 0.62661575 -2.20682055 -0.0304675 -3.39382965 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6114-21-2 5282184 170466006 F Ethyl linoleate O=C(CCCCCCC/C=C\C/C=C\CCCCC)OCC Tox21_112687_1 -NCGC00182546-02 196705039 tox21-ror-cho-viability-p1 set1 4 2.45548805 6.12627698 1.88329879 7.30888521 3.66348694 10.75701565 2.05102373 3.52457418 5.26069287 -0.30678136 4.31180404 13.19274648 3.95917875 1.93155881 0.77535879 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-77-4 5282182 170465908 Fns Gefarnate C\C(C)=C\CCC(\C)=C\COC(=O)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C Tox21_112983_1 -NCGC00015500-19 196705433 tox21-ror-cho-viability-p1 set1 4 -3.91394862 0.59691267 -1.95832674 1.85063087 -2.59208192 -0.27669711 -2.3325757 -2.84792458 0.32781444 -4.30247647 -4.43006255 -2.5993846 -4.45523681 -0.45139632 0.32938572 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52-86-8 3559 170464841 A Haloperidol Fc1ccc(cc1)C(=O)CCCN2CCC(O)(CC2)c3ccc(Cl)cc3 Tox21_110162_1 -NCGC00016410-13 196705438 tox21-ror-cho-viability-p1 set1 4 -6.49638723 -5.62395815 -5.80365413 -2.23240481 -2.84014989 -1.87530847 -2.89819457 -5.32903196 -1.54943834 -4.06770788 -3.64301832 -1.97193543 -3.03186897 -3.31825373 0.35836383 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 148-79-8 5430 170464939 A Thiabendazole n1c3ccccc3nc1c2cscn2 Tox21_110427_1 -NCGC00164559-03 196705439 tox21-ror-cho-viability-p1 set1 4 -1.5577094 2.59179748 -1.31959442 0.0841027 -4.82620477 -3.55798622 -3.48871596 1.58930287 -1.40166838 4.39372526 2.77848432 -9.62868275 0.95205176 -0.94671838 -8.47417262 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 136434-34-9 60834 170465319 A Duloxetine hydrochloride Cl.CNCC[C@H](Oc1cccc2ccccc12)c3cccs3 Tox21_112188_1 -NCGC00166413-02 196705447 tox21-ror-cho-viability-p1 set1 4 -0.19434775 -0.72020362 0.62303147 0.82835731 1.34221748 0.5478657 0.42183306 3.00279287 0.86051971 -0.46424174 0.58292142 0.07191013 0.51823713 3.17161545 4.89443914 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 74863-84-6 152951 170464871 A Argatroban C[C@H]1C[C@H](C(=O)O)N(CC1)C(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c3cccc2C[C@@H](C)CNc23 Tox21_112218_1 -NCGC00090814-07 196705449 tox21-ror-cho-viability-p1 set1 4 -0.68432386 -0.97323979 -1.04217871 0.53034067 0.27863948 -7.17570042 -0.22492816 0.4041603 -4.85402702 -0.58187238 -5.39325495 1.37246369 -0.71822747 1.16178491 -0.6325347 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 106-48-9 4684 170465673 Ac 4-Chlorophenol Oc1ccc(Cl)cc1 Tox21_111028_1 -NCGC00090773-04 196705450 tox21-ror-cho-viability-p1 set1 4 5.06702263 2.05583762 -0.1143048 3.24951869 1.94264759 6.27781124 1.1300797 1.67503335 3.00556074 -0.35065739 5.55845569 4.01377432 -3.8742486 -0.43760538 1.6827693 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00260120-01 196703376 tox21-ror-cho-viability-p1 set1 4 2.86647522 -3.36364424 -0.37006901 -3.58259624 -7.74350614 -0.39843602 0.19686638 1.36975168 -4.6436545 -5.36828769 0.25139509 0.50755991 -3.87277829 -8.2946175 8.4561036 5.8989999999E-10 1.319E-9 2.95E-9 6.596E-9 1.4749999999E-8 3.298E-8 7.374E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001844 0.000004122 0.0000092179999999 0.000020609999999 0.00004609 70321-86-7 112412 144209769 Fc 2-(2H-Benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)phenol CC(C)(c1ccccc1)c2cc(c(O)c(c2)C(C)(C)c3ccccc3)n4nc5ccccc5n4 Tox21_202571 -NCGC00090827-04 196705806 tox21-ror-cho-viability-p1 set1 4 0.0015449045 12.771936988 -11.771936988 1 4.9549173134 0.4031316604 0.2702806344 -9.80994749 5.58022618 3.99017978 -3.3896504 5.33330014 -3.07739563 -0.01873574 -1.98864902 -0.87902791 -0.81798972 1.0414972 -0.86450345 -0.38898548 1.05463517 6.42983601 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00091088-05 196705389 tox21-ror-cho-viability-p1 set1 4 0.09162683 0.00613721 0.71109637 -0.95312536 0.03798015 0.60491434 -0.16308103 -0.07149953 1.13101549 1.32341024 1.20846199 -0.44205023 3.22081383 1.03855392 0.68553241 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00159346-04 196705390 tox21-ror-cho-viability-p1 set1 -2.4 33.4914596268 -32.265077236 1 -31.265077236 4.9549173134 0.8995858303 0.0003301779 -0.9840877 -2.45022644 2.96910431 1.49845446 0.72794134 0.9245526 -3.02116506 2.41883602 2.77626754 2.69757649 5.91360355 0.87536387 -1.73490277 -2.17507222 -26.05423103 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 91161-71-6 1549008 170465174 A Terbinafine CC(C)(C)C#C\C=C\CN(C)Cc2cccc1ccccc12 Tox21_111591_1 -NCGC00159478-04 196705393 tox21-ror-cho-viability-p1 set1 4 0.1449519079 -84.97967581 -85.19355018 -81.28017346 -83.31714355 -81.9435176 0 -77.54180956 -77.24835207 -73.59884812 -62.45482136 -39.28500624 -17.28257171 -11.98871765 -5.4699448 -25.67089325 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 86-75-9 6855 170465534 A Benzoxiquine O=C(Oc1cccc2cccnc12)c3ccccc3 Tox21_111701_1 -NCGC00259258-01 196705807 tox21-ror-cho-viability-p1 set1 -2.1 17.3516533504 -106.8187267558 2.7932924454 -104.0254343104 0.7999999999 0.9570607318 0.0000036309 -0.14435002 -1.52507794 0.79286089 0.06719471 4.76522127 1.6884466 1.32390314 3.54903672 -4.04825156 -7.73505043 -17.25333136 -48.27487838 -52.39756695 -54.89696477 -89.36892982 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.4829999999E-7 3.317E-7 7.417E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.00004146 0.000092709999999 2425-06-1 17038 144208907 I D Captafol ClC(Cl)C(Cl)(Cl)SN2C(=O)C1CC=CCC1C2=O Tox21_201709 -NCGC00259526-01 196705815 tox21-ror-cho-viability-p1 set1 4 1.05724767 -0.65702291 2.76957014 1.34570003 2.45397025 -0.28445943 -0.44969153 1.40643403 -4.11958138 -0.47465099 0.62331182 1.65085377 0.21478029 1.369997 1.3891161 1.1689999999E-9 2.614E-9 5.844E-9 1.3069999999E-8 2.922E-8 6.5339999999E-8 1.461E-7 3.267E-7 7.305E-7 0.0000016329999999 0.000003653 0.000008167 0.00001826 0.00004084 0.000091309999999 100-63-0 7516 144209175 D Phenylhydrazine NNc1ccccc1 Tox21_201977 -NCGC00259524-01 196706216 tox21-ror-cho-viability-p1 set1 4 10.4730538 -5.80305494 -14.89842414 4.81772867 4.2046284 1.81449254 5.95608283 1.17385321 -0.95534995 -5.58419658 2.35366679 2.67807785 2.87734921 -1.98845045 -2.73546823 1.16E-9 2.5929999999E-9 5.799E-9 1.297E-8 2.8989999999E-8 6.4829999999E-8 1.45E-7 3.2419999999E-7 7.2489999999E-7 0.000001621 0.000003624 0.0000081039999999 0.00001812 0.00004052 0.00009061 107-41-5 7870 144209173 A A 2-Methyl-2,4-pentanediol CC(O)CC(C)(C)O Tox21_201975 -NCGC00259165-01 196706224 tox21-ror-cho-viability-p1 set1 4 -12.35233748 -4.62197001 -2.94896976 -15.68747927 -3.84298425 -1.21432373 -3.20929282 -3.30025612 -6.30881037 0 -7.09243149 -9.28592555 1.10889406 0.54368641 0.83396818 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.759E-8 1.511E-7 3.38E-7 7.557E-7 0.00000169 0.0000037789999999 0.000008449 0.00001889 0.00004225 0.00009447 111-46-6 8117 144208814 A F Diethylene glycol OCCOCCO Tox21_201616 -NCGC00259729-01 196706227 tox21-ror-cho-viability-p1 set1 -1.1 7.7742115379 -68.7665118208 -14.662800372 -83.4293121928 3.5117481694 0.9512422874 0.0000073174 -10.4548821 -7.12364746 -10.84535587 -12.62186927 -11.94548007 -10.47066716 -15.88544631 -21.43131297 -24.35455008 -30.05404816 -10.85609327 -52.96736369 -83.26788166 -82.80458972 -81.58244751 1.19E-9 2.661E-9 5.951E-9 1.331E-8 2.975E-8 6.653E-8 1.4879999999E-7 3.326E-7 7.438E-7 0.000001663 0.000003719 0.000008316 0.0000186 0.00004158 0.00009298 13463-41-7 26041 144209378 A A Zinc pyrithione [O-][n+]2ccccc2S[Zn]Sc1cccc[n+]1[O-] Tox21_202180 -NCGC00015444-07 196705421 tox21-ror-cho-viability-p1 set1 4 0.53774753 1.24032776 -0.92351716 1.97903998 0.12340141 1.66772739 1.40385167 1.44480269 -1.04429797 1.23512003 1.51707393 8.56019467 1.63036457 -2.55105563 -1.46485064 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67227-56-9 3341 170465321 A Fenoldopam Oc1ccc(cc1)C3CNCCc2c3cc(O)c(O)c2Cl Tox21_110152_1 -NCGC00015462-14 196705404 tox21-ror-cho-viability-p1 set1 4 -5.99573289 -1.41748057 -4.32714479 -1.76752675 -2.63244994 -3.52460568 -5.51072555 -5.02376192 -5.9301898 -3.94584787 0.49203302 0.84378289 -2.2386374 -5.95983113 2.73999908 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 29094-61-9 3478 170465089 A Glipizide Cc1cnc(cn1)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3 Tox21_110156_1 -NCGC00159485-06 196705406 tox21-ror-cho-viability-p1 set1 4 -1.02857939 -0.42175649 -1.8369055 -1.13316436 -0.06470877 -3.52162106 0.40668195 -0.47272725 -3.26773984 -1.07438934 -5.03058951 -9.14073251 -1.06019061 -2.54246534 1.39941674 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 15708-41-5 27461 170464680 A Ethylenediaminetetraacetic acid ferric sodium salt [Fe+3].[Na+].[O-]C(=O)CN(CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O Tox21_112117_1 -NCGC00094981-07 196705410 tox21-ror-cho-viability-p1 set1 4 -3.20076847 -6.85211824 -2.54118115 0.28349438 -2.77505338 -4.34595293 -1.695994 -0.14073154 -5.20025043 -4.16767004 -3.84874227 0.56512902 0.49383206 1.31103301 -4.71345227 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 120-51-4 2345 170465382 F Benzyl benzoate O=C(OCc1ccccc1)c2ccccc2 Tox21_111372_1 -NCGC00257759-01 196715602 tox21-ror-cho-viability-p1 set2 4 1.23185173 1.74799449 4.25985427 0.51772218 1.92522573 0.03009125 1.29668553 2.50082183 0.02044391 0.9649118 -0.38891777 1.11257048 1.13089044 -0.02039709 1.89565288 1.136E-9 2.54E-9 5.679E-9 1.27E-8 2.84E-8 6.3499999999E-8 1.4199999999E-7 3.175E-7 7.099E-7 0.0000015869999999 0.000003549 0.000007937 0.000017749999999 0.00003968 0.00008874 75-34-3 6365 144207403 FNS 1,1-Dichloroethane CC(Cl)Cl Tox21_200205 -NCGC00257585-01 196715600 tox21-ror-cho-viability-p1 set2 4 0.92506171 -0.14577387 -5.45350046 -2.21955986 0.79273245 -0.34298643 -0.38486428 1.05630104 -0.18881231 0.79922704 -1.20598372 0.26769127 0.85220013 -0.06284683 1.58885752 1.2069999999E-9 2.6979999999E-9 6.033E-9 1.349E-8 3.017E-8 6.745E-8 1.5079999999E-7 3.373E-7 7.541E-7 0.0000016859999999 0.0000037709999999 0.000008432 0.00001885 0.000042159999999 0.000094269999999 1585-07-5 15313 144207229 AC Ac 1-Bromo-4-ethylbenzene CCc1ccc(Br)cc1 Tox21_200031 -NCGC00258164-01 196715601 tox21-ror-cho-viability-p1 set2 4 -0.09173306 -0.10749004 -1.73712378 -0.78281024 0.68131341 0.10104383 -1.68482104 -0.35964302 -0.93069241 -1.11926275 0.04178174 -0.96302777 -6.33267592 -2.54763829 -0.34272852 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.961E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.000003701 0.000008275 0.0000185 0.00004137 0.000092519999999 874-80-6 2734238 144207808 A A 1-Butylpyridinium bromide [Br-].CCCC[n+]1ccccc1 Tox21_200610 -NCGC00258395-01 196715608 tox21-ror-cho-viability-p1 set2 4 1.64376485 0.76954459 2.50318425 0.13560871 3.67697735 1.98215966 1.56486777 1.74717451 5.02636079 3.27930814 0.57808304 3.24848917 3.7632628 1.7968802 2.72726728 1.1609999999E-9 2.5959999999E-9 5.805E-9 1.298E-8 2.903E-8 6.4899999999E-8 1.451E-7 3.245E-7 7.256E-7 0.000001623 0.000003628 0.0000081129999999 0.00001814 0.00004056 0.000090709999999 79-22-1 6586 144208039 D Methyl chlorocarbonate ClC(=O)OC Tox21_200841 -NCGC00164449-04 196715622 tox21-ror-cho-viability-p1 set2 4 -2.32746024 0.31496333 -3.37112307 -2.23371796 -0.33920727 -2.31318789 0.0369401 -2.73680304 0.95168724 1.45204042 -2.89374938 1.47730576 0.91318097 -3.27038442 -0.08835654 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00258770-01 196716014 tox21-ror-cho-viability-p1 set2 4 -1.45151145 0.11316309 -0.50684918 -0.66369486 -0.1963818 -1.53957552 -0.32416478 -0.02603263 -1.97058288 -0.93174273 0.07627108 0.75302463 -1.79639338 1.04430946 -2.2291655 1.187E-9 2.6549999999E-9 5.936E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.3189999999E-7 7.42E-7 0.000001659 0.0000037099999999 0.0000082959999999 0.00001855 0.000041479999999 0.00009276 431-03-8 650 144208416 D 2,3-Butanedione CC(=O)C(C)=O Tox21_201218 -NCGC00090987-03 196716020 tox21-ror-cho-viability-p1 set2 4 -1.80092639 -2.91571828 -3.14589632 -4.11902881 -5.35813034 -0.4854725 -1.14194427 -0.9335671 0.30356265 7.77799596 0.72467353 0.85633663 -7.39569207 3.429941 5.25811171 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00167473-02 196713149 tox21-ror-cho-viability-p1 set2 4 0.0530803864 13.001289968 -6.001289968 7 0.3 0.6977962922 0.0399943393 -5.95203256 -4.98676008 -3.67783883 -2.39548763 -7.91774164 -1.56321307 -1.91225291 -3.13340346 -2.3808794 0.36044512 -2.54739222 -0.17649746 0.9702268 0.44904732 4.41514716 5.899E-12 1.319E-11 2.949E-11 6.595E-11 1.475E-10 3.2969999999E-10 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 33490-33-4 20055082 170465401 F Capreomycin IB NCCC[C@H](N)CC(=O)NC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](N)CNC(=O)[C@@H](NC(=O)C(\NC1=O)=C\NC(N)=O)[C@@H]2CCNC(N)=N2 Tox21_112477_1 -NCGC00091387-08 196712724 tox21-ror-cho-viability-p1 set2 4 14.9600854925 11.8557733359 -3.8557733359 8 1.24751 0.8256704921 0.0045175947 -2.72350506 -2.69937309 -4.45265827 -6.54647778 -4.12649236 -2.18856819 -3.42309294 -5.0339628 -2.20973951 -4.75536951 -2.28494569 -0.75644115 0.02196798 1.34548209 7.91295162 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1239-45-8 14710 170466062 A Ethidium bromide [Br-].CC[n+]3c4cc(N)ccc4c1ccc(N)cc1c3c2ccccc2 Tox21_111410_1 -NCGC00090942-03 196712730 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -80.8620845504 -1.609711651 -82.4717962014 4.9549173134 0.9616628201 0.0000019333 -4.28989844 -4.23661317 -5.70115823 -4.50087523 -5.21659669 -6.00644446 -1.25206821 -0.42822231 0.01943545 0.33526433 1.31251138 1.68253926 3.26235762 -1.60241459 -67.83475889 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00179625-03 196713144 tox21-ror-cho-viability-p1 set2 4 -4.29512094 -3.5951842 -3.57279191 -3.57374197 -1.74790239 -4.27541386 -0.94900377 -2.67748004 -1.05209018 1.38843319 -1.81312321 -2.82680692 -5.356142 -4.58184309 -5.89029005 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2347-80-0 92178 170465871 A Thioproperazine dimethanesulfonate CS(=O)(=O)O.CS(=O)(=O)O.CN(C)S(=O)(=O)c2cc3N(CCCN1CCN(C)CC1)c4ccccc4Sc3cc2 Tox21_110751_1 -NCGC00183048-01 196713152 tox21-ror-cho-viability-p1 set2 4 -0.59007561 -0.17694419 -1.84813337 -0.43487164 -0.63543699 -1.47674664 -2.32986124 0.32904512 1.97104409 0.0653412 4.82065829 -0.64522376 4.20358343 4.74449346 7.26317924 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 147816-23-7 6918126 144206810 I I Cefcapene pivoxil hydrochloride Cl.Nc1scc(n1)\C(=C\CC)C(=O)N[C@@H]3C(=O)N2C(=C(COC(N)=O)CS[C@@H]23)C(=O)OCOC(=O)C(C)(C)C Tox21_113259 -NCGC00257339-01 196726535 tox21-ror-cho-viability-p1 set3 4 -0.16259929 -1.33989061 -0.33004835 -1.54880792 -0.25081038 0.45281727 8.4401465 2.46601526 1.03422692 -0.2414391 -1.11852602 1.22895168 6.99269383 7.31901624 6.94321163 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 833-66-9 23677963 144213872 A A Potassium 6-hydroxynaphthalene-2-sulfonate [K+].[O-]S(=O)(=O)c1ccc2cc(O)ccc2c1 Tox21_303567 -NCGC00090776-02 196726942 tox21-ror-cho-viability-p1 set3 4 0.79090148 1.33640165 1.10850248 0.03651221 0.42614023 0.62981701 -0.52161415 0.90582827 3.56742421 3.46580306 -0.10600968 -0.59255111 -0.12762031 -0.39934733 -3.8795131 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009079 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00257005-01 196726951 tox21-ror-cho-viability-p1 set3 4 0.0544826733 8.173748644 -9.673748644 -1.5 4.9549173134 0.531833626 0.1510502343 -2.50669156 -5.2852003 -10.17680686 -13.84395391 -17.22812387 -0.95952563 -0.49804406 0 0 -3.43412945 0 -3.88670194 -4.42138994 -1.95747784 -1.03619629 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1809-19-4 6327349 144213381 F Ac Dibutyl phosphite CCCCOP(=O)OCCCC Tox21_303064 -NCGC00257322-01 196727357 tox21-ror-cho-viability-p1 set3 4 2.37804732 -0.3378947 3.61888195 -0.73650281 3.09757309 -1.37245924 -0.43000751 -13.89453243 -24.17974715 -6.65398084 -5.89536704 -0.2572926 2.2229652 5.93033602 0.46680516 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 136042-19-8 23668568 144213859 A A FR130739 [Na+].CCCCc5nc1cccnc1n5Cc2ccc(cc2)c4ccccc4c3[n-]nnn3 Tox21_303554 -NCGC00023373-03 196726198 tox21-ror-cho-viability-p1 set3 4 0.0530803864 -9.099968212 8 -1.099968212 2.4063783767 0.3242756263 0.3593172654 -1.55317887 2.15117054 12.15264505 11.37305446 13.30033486 13.52427036 -6.85611421 2.67222689 8.36546424 -6.24639167 -9.24997351 -4.1217201 2.56082573 2.11924245 5.86190533 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25122-46-7 32798 170465385 A Clobetasol propionate ClCC(=O)[C@@]4(OC(=O)CC)[C@@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_111414_1 -NCGC00263546-01 196726186 tox21-ror-cho-viability-p1 set3 4 0 3.7126204 -0.06250303 9.41750985 3.53007457 -5.73867704 2.54395945 4.62546331 -4.5136598 5.47924054 -5.08449254 -1.61031116 -1.80746043 7.54672691 8.13182931 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82586-52-5 54889 170465131 B Moexipril hydrochloride Cl.O=C(OCC)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2Cc3cc(OC)c(OC)cc3C[C@H]2C(=O)O Tox21_112590_1 -NCGC00182073-03 196726195 tox21-ror-cho-viability-p1 set3 4 -0.3241581 -4.17581229 0.84836705 2.94562246 -2.57074351 -0.26654025 -3.77475836 -0.71074079 -6.11629317 -2.88978303 -3.90997319 -1.67602597 -0.3288114 -2.59065087 2.99766064 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69049-73-6 50294 170464978 F Nedocromil O=C(O)C2=CC(=O)c3cc1c(OC(=CC1=O)C(=O)O)c(CCC)c3N2CC Tox21_113148_1 -NCGC00018223-06 196726196 tox21-ror-cho-viability-p1 set3 -2.1 26.6032120037 -72.134786065 1.754428821 -70.380357244 4.0949729863 0.9428475821 0.0000173889 3.60780904 -0.3022579 5.89992798 0.44939154 -0.67477943 0.87127867 0.39533137 -1.1768751 13.38874742 5.74323207 0.69730783 -0.69781841 -5.99552768 -15.09117721 -64.06696437 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13636-18-5 5702162 170466175 A Fendiline hydrochloride Cl.CC(NCCC(c1ccccc1)c2ccccc2)c3ccccc3 Tox21_111351_1 -NCGC00257345-01 196726596 tox21-ror-cho-viability-p1 set3 4 -1.24595954 -0.91513614 1.3852556 0.66472818 4.89186553 6.15654954 0.38091705 0.68742693 8.64908002 7.97523798 -2.93902756 -0.63068988 5.61166468 5.41187353 -0.41200422 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4344-55-2 20352 144213673 A A 4-Butyloxyaniline Nc1ccc(OCCCC)cc1 Tox21_303357 -NCGC00091426-02 196726604 tox21-ror-cho-viability-p1 set3 4 5.67274519 0.2106822 2.70896703 3.85131633 1.07367268 4.57615215 3.85469239 3.51716471 1.2990538 6.56253183 2.68518197 0.80598615 0.72872026 4.8952283 0.00877302 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00256490-01 196726607 tox21-ror-cho-viability-p1 set3 -1.2 1.9331181962 -32.8923560111 -1 -33.8923560111 2.2481167061 0.9813015781 3.22E-8 -0.97812459 -1.13311531 -5.68899487 1.21838413 -0.18215575 0.16795925 -0.39247506 -0.57197717 -3.91989384 -15.08171583 -26.4712083 -34.49637001 -33.41431952 -29.86720754 -36.65917256 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93957-54-1 446155 144213082 A A Fluvastatin O=C(O)C[C@H](O)C[C@H](O)/C=C/c2c(c1ccccc1n2C(C)C)c3ccc(F)cc3 Tox21_302765 -NCGC00256330-01 196726611 tox21-ror-cho-viability-p1 set3 4 -4.74588979 -5.32991583 -1.03847138 -4.314346 -4.09475115 -4.02152708 -0.43091459 -3.75873016 -0.7489677 -4.56800606 0 0.48019047 0.21652792 0.13291516 -0.97511597 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10030-73-6 5282745 144213293 A A (E)-Hexadec-9-enoic acid O=C(O)CCCCCCC\C=C\CCCCCC Tox21_302976 -NCGC00093949-05 196705040 tox21-ror-cho-viability-p1 set1 4 0.78042124 -0.29444075 -1.58982703 4.72360566 5.52402676 -1.41149674 -1.56957989 7.24381229 -0.30344484 -1.61327302 6.17017865 -0.31507664 0.77261798 -1.31518053 0.03587867 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68-96-2 6238 170466429 F 17alpha-Hydroxyprogesterone CC(=O)[C@@]3(O)CC[C@H]2[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_111233_1 -NCGC00016646-05 196705046 tox21-ror-cho-viability-p1 set1 4 -0.27897629 -2.81507166 0.30519197 0.20671257 -0.67844455 -4.40770904 0.45590298 -0.94445191 0.33132438 1.25675937 -3.12345004 -3.24475143 -0.77986429 -2.29196369 -2.874041 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4093-35-0 2446 170466299 A Bromopride Nc1cc(OC)c(cc1Br)C(=O)NCCN(CC)CC Tox21_110543_1 -NCGC00160676-02 196704649 tox21-ror-cho-viability-p1 set1 4 -0.72448911 4.06765131 -0.01360275 -0.10796626 0.3936548 0.1879131 -1.08351972 -0.5690957 -0.43134225 3.65324463 -1.19100248 -2.78312834 -0.62195767 -0.93165849 -1.21691208 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3563-01-7 71128 170466081 A Aprofene CC(C(=O)OCCN(CC)CC)(c1ccccc1)c2ccccc2 Tox21_111979_1 -NCGC00015771-13 196705041 tox21-ror-cho-viability-p1 set1 4 -6.14464973 -0.84468979 -1.70784234 -3.89461761 -2.0381269 -2.8814241 -0.00379085 -5.59483616 -1.77972424 -5.07389057 -3.8276821 -2.03558163 -1.30196142 -0.70094405 -6.14545142 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4682-36-4 83823 170464910 A Orphenadrine dihydrogen citrate O=C(O)C(O)(CC(=O)O)CC(=O)O.CN(C)CCOC(c1ccccc1)c2ccccc2C Tox21_111323_1 -NCGC00181794-01 196705057 tox21-ror-cho-viability-p1 set1 4 -6.2650157 -3.44879926 -4.03000479 -0.87492057 -2.54757933 -5.23459375 -0.03196262 -2.68757715 -2.8293696 -1.9866098 -3.85467969 -0.44565057 -0.30764269 -2.44228716 -0.1625447 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 109732-56-1 57372628 144207154 M M Dimethyl(2-phenoxyethyl)-2-thenylammonium iodide [I-].C[N+](C)(Cc1cccs1)CCOc2ccccc2 Tox21_113605 -NCGC00092357-03 196705059 tox21-ror-cho-viability-p1 set1 4 0.62777715 0.32230108 4.90945709 1.45204409 -2.34754913 0.23025612 0.19501077 5.67802759 1.71679739 -0.66312225 3.72961877 0.19917133 3.00375173 2.14251401 -2.31444061 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84485-00-7 64764 170465162 A Sibutramine hydrochloride Cl.CN(C)C(CC(C)C)C1(CCC1)c2ccc(Cl)cc2 Tox21_111448_1 -NCGC00015146-11 196705461 tox21-ror-cho-viability-p1 set1 4 -5.62679738 -0.25763369 -0.78165671 -3.89285099 0.64022379 1.31223573 -1.94479504 -1.18096559 0.81799757 -3.39650382 -0.76963685 1.4058096 -2.0393175 -0.46883356 -2.57782677 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2391-03-9 6433334 170465028 A Dexbrompheniramine maleate O=C(O)/C=C\C(=O)O.Brc1ccc(cc1)[C@H](CCN(C)C)c2ccccn2 Tox21_112000_1 -NCGC00090770-09 196705465 tox21-ror-cho-viability-p1 set1 4 29.8492948118 9.5674976399 -1.5674976399 8 3.2974983358 0.3690206594 0.3047482756 -3.98829079 0.54501515 0.75663694 -2.62920086 0.36956625 -3.04273722 1.11931534 -7.9729147 -3.92082443 0.60931838 1.10930302 -0.05958874 0.24679059 0.39727484 6.2331515 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-14-3 6035 170465870 A 5-Bromo-2'-deoxyuridine BrC1=CN(C(=O)NC1=O)[C@H]2C[C@H](O)[C@@H](CO)O2 Tox21_111016_1 -NCGC00164626-02 196705470 tox21-ror-cho-viability-p1 set1 4 -0.19400078 2.43665411 2.24496909 0.89219953 0.70952179 5.2742262 2.51343354 0.87324866 1.39885496 -0.75294813 2.02426613 1.71653996 1.78430873 1.21105073 -1.19982451 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 145821-59-6 91274 170465153 A Tiagabine hydrochloride Cl.Cc3ccsc3C(=C\CCN1CCC[C@H](C1)C(=O)O)\c2sccc2C Tox21_112245_1 -NCGC00016285-05 196705475 tox21-ror-cho-viability-p1 set1 4 1.57776105 0.14368739 3.40547867 3.66502974 1.60293262 -0.50197648 -0.12789563 3.66567775 0.50484413 -0.33978574 0.91110609 0.47600508 1.85813705 -0.29879159 4.76410293 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63-74-1 5333 170464653 A Sulfanilamide Nc1ccc(cc1)S(=O)(N)=O Tox21_110351_1 -NCGC00258876-01 196705872 tox21-ror-cho-viability-p1 set1 4 0.7836969953 9.425662536 -11.425662536 -2 1.0999999999 0.4457950711 0.2285956593 -8.84908854 -8.0111954 -8.44178591 -15.35471878 -14.87757908 -9.50509055 -8.93600915 -14.15170111 -6.40599116 -0.83564357 1.12842937 -11.11879941 1.23545718 -7.62590135 0.78207493 1.198E-9 2.6779999999E-9 5.989E-9 1.339E-8 2.995E-8 6.696E-8 1.497E-7 3.3479999999E-7 7.486E-7 0.0000016739999999 0.0000037429999999 0.00000837 0.000018719999999 0.00004185 0.00009358 97-99-4 7360 144208522 A A Tetrahydrofurfuryl alcohol OCC1CCCO1 Tox21_201324 -NCGC00258956-01 196705880 tox21-ror-cho-viability-p1 set1 4 3.12829857 4.8859811 1.4775709 6.48930452 2.9301064 2.61223206 1.00211062 3.85660037 4.23386667 12.89429771 -0.72183923 -0.31779237 4.1388668 1.30886612 0.62972039 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.000008236 0.00001842 0.000041179999999 0.00009208 102-01-2 7592 144208603 A B Acetoacetanilide O=C(Nc1ccccc1)CC(C)=O Tox21_201405 -NCGC00256703-01 196707089 tox21-ror-cho-viability-p1 set1 4 -5.08809746 -9.25472201 -11.54480636 -10.41601005 -6.21882249 -1.94852445 -11.81766877 -8.40224815 -11.56473128 -14.64893961 -14.2040884 -9.51362408 -1.34245289 -11.54088871 -1.93618504 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99300-78-4 62923 144212825 A A Venlafaxine hydrochloride Cl.OC1(CCCCC1)C(CN(C)C)c2ccc(OC)cc2 Tox21_302508 -NCGC00257033-01 196707488 tox21-ror-cho-viability-p1 set1 4 -17.58108467 -14.4304039 -8.63734373 -2.38709747 -12.81647866 -11.94341853 -9.90583917 -5.4137768 -20.94381797 -19.04481769 -9.94937725 -0.76181784 -6.83485449 -8.32663101 -8.04944989 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 3033-62-3 18204 144213533 Cc Ac Bis[2-(dimethylamino)ethyl]ether CN(C)CCOCCN(C)C Tox21_303216 -NCGC00257077-01 196707079 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -36.985748244 -1 -37.985748244 3.2474983358 0.8522822918 0.0021047162 -6.45923338 0.06407418 0.52832306 -1.19411635 -0.08085084 -6.57570837 -0.70805358 0.99564876 4.45719148 1.08611352 1.3755016 -1.09286098 -5.27751348 -6.93839125 -28.32145687 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135-19-3 8663 144213355 A A 2-Naphthalenol Oc1ccc2ccccc2c1 Tox21_303038 -NCGC00256483-01 196707084 tox21-ror-cho-viability-p1 set1 4 48.5577336745 -19.588823232 0 -19.588823232 2.7202212143 0.7003102827 0.0381185182 1.48328491 -7.29647657 -0.36328196 2.94470992 3.17912872 1.95457314 3.35890471 -4.02113072 2.66497682 -3.57208091 0.66102157 0.64669499 -0.31063324 -8.40025066 -16.32401936 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51630-58-1 3347 144213274 C I Fenvalerate Clc1ccc(cc1)C(C(C)C)C(=O)OC(C#N)c3cccc(Oc2ccccc2)c3 Tox21_302957 -NCGC00256616-01 196707490 tox21-ror-cho-viability-p1 set1 4 -0.04113598 -1.07754359 -0.23963344 -2.71606093 0.57668242 -0.99484125 0.8547258 0.76001044 -0.15820657 -0.3861504 0.96392271 5.82426828 5.27335126 -0.59128481 -2.72549825 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2409-55-4 17004 144213320 A A 2-tert-Butyl-4-methylphenol CC(C)(C)c1cc(C)ccc1O Tox21_303003 -NCGC00257244-01 196707901 tox21-ror-cho-viability-p1 set1 4 48.5577336745 -24.661233812 -2.5 -27.161233812 1.331 0.6653520676 0.0554101086 -8.41711394 -5.55776962 -2.88392396 -4.67967349 -3.44964879 5.78549102 -0.21043213 0.52864502 0.16360991 -3.04495841 -7.00926634 -9.59422789 -3.21432867 -13.13766067 -22.63436151 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18979-55-0 29354 144213781 A A 4-(Hexyloxy)phenol Oc1ccc(OCCCCCC)cc1 Tox21_303471 -NCGC00256484-01 196707908 tox21-ror-cho-viability-p1 set1 4 -0.50740367 0.03281283 -5.69064459 0.22477094 -5.00621309 -6.22899097 -3.97051433 0.83773554 0.58330454 -0.91739849 -4.60305443 1.80849671 -9.72795535 4.83414094 3.89470297 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-76-9 7064 144213286 A A 6-Phenyl-1,3,5-triazine-2,4-diamine Nc1nc(nc(N)n1)c2ccccc2 Tox21_302969 -NCGC00256889-01 196707912 tox21-ror-cho-viability-p1 set1 4 34.3762428541 8.18736784 0.81263216 9 4.9549173134 0.4665954621 0.210572921 0.48221154 -2.94062417 -0.02918372 -3.4894732 3.33476109 4.02446793 6.13294886 0.9076878 0.06117143 -2.69198444 4.34535761 0.25618335 0.27853159 6.99857443 9.01161141 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5579-78-2 62583 144212779 A A epsilon-Decalactone O=C1CCCCC(CCCC)O1 Tox21_302462 -NCGC00256445-01 196707921 tox21-ror-cho-viability-p1 set1 4 -7.06755274 0.84499687 -2.53457601 -13.16259824 -0.13811463 0.11628825 -2.7937231 -2.74192092 1.21933441 -9.16424257 -4.68979152 -3.06865907 -6.49884351 -8.27819553 -18.97605901 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10034-93-2 24842 144213312 Hydrazine sulfate NN.O=S(=O)(O)O Tox21_302995 -NCGC00256897-01 196708323 tox21-ror-cho-viability-p1 set1 4 3.80450798 0.04606591 0.19926133 0.71330049 0.14842731 1.66397832 1.54936337 10.42625921 3.14057725 0.66961405 1.25701581 0.93024276 1.89938957 2.73781152 3.83155767 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 83834-59-7 5355130 144212893 A A 2-Ethylhexyl trans-4-methoxycinnamate COc1ccc(/C=C/C(=O)OCC(CC)CCCC)cc1 Tox21_302576 -NCGC00256564-01 196708333 tox21-ror-cho-viability-p1 set1 4 -0.22816322 3.13766465 3.71946743 -0.1608227 0.27737752 4.65373605 1.77612277 4.16567414 2.07660906 -0.02603799 1.22248353 5.69494199 4.39707154 0.34528291 9.96338215 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 150-78-7 9016 144213099 A Ac Hydroquinone dimethyl ether COc1ccc(OC)cc1 Tox21_302782 -NCGC00258997-01 196708735 tox21-ror-cho-viability-p1 set2 4 12.2219632046 9.5248055999 -0.5248055999 9 0.5999999999 0.5183895188 0.1814938144 2.62533073 -3.53197222 0.72128542 -4.187338 0.51438588 0.09790436 3.38927739 0.37456764 0.4077177 -0.04924652 4.51256708 1.60708626 5.42675742 6.5551809 1.94168088 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.00009231 919-30-2 13521 144208644 FNS 3-Aminopropyltriethoxysilane CCO[Si](OCC)(OCC)CCCN Tox21_201446 -NCGC00259910-01 196708738 tox21-ror-cho-viability-p1 set2 4 48.3109346869 -22.782374692 1.5 -21.282374692 2.4063783767 0.9200403742 0.0001041254 1.91050323 2.80180006 4.20300987 1.05691063 0.57675872 -0.05568388 2.60041526 -0.94034475 1.5116428 2.16677608 -0.57699765 2.38379616 1.83004448 -9.2255159 -16.90197891 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.569E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.00004106 0.00009181 569-57-3 11289 144209559 A A Chlorotrianisene COc1ccc(cc1)C(\Cl)=C(/c2ccc(OC)cc2)c3ccc(OC)cc3 Tox21_202361 -NCGC00254538-01 196714007 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -101.2183941742 1.501801408 -99.7165927662 4.9549173134 0.9665555152 8.976E-7 0.01075216 -0.92114563 0.26805373 -0.8034338 -0.78285546 -0.33724595 0.41986867 -0.84031793 0.34041293 -2.46962518 0.28648677 8.19348397 8.46088055 2.50575871 -81.52110537 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23593-75-1 2812 144210733 A F Clotrimazole Clc1ccccc1C(c2ccccc2)(c3ccccc3)n4ccnc4 Tox21_300415 -NCGC00024643-10 196713574 tox21-ror-cho-viability-p1 set2 4 0.7164556 -1.20596987 0.27797426 -2.98677135 0.6358171 0.42480438 -0.84978376 -1.37266931 0.71250794 -0.15505649 -0.23509867 5.035197 0.42252448 0.18815961 -1.83923673 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23210-56-2 3689 170465791 A Ifenprodil OC(C(C)N1CCC(CC1)Cc2ccccc2)c3ccc(O)cc3 Tox21_110915_1 -NCGC00016403-06 196713575 tox21-ror-cho-viability-p1 set2 4 0.0014960085 -15.208568756 14 -1.208568756 0.5999999999 0.6398341972 0.0709229386 10.31241947 2.63480652 10.1597708 0.40939177 0.92076707 2.63169831 -0.3337994 1.43216948 -2.6416925 -2.54341065 0.67238076 -3.50714063 -0.43741801 0.7753651 -0.92637474 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 138-37-4 67313 170465055 Z Mafenide hydrochloride Cl.O=S(N)(=O)c1ccc(CN)cc1 Tox21_110423_1 -NCGC00254730-01 196714005 tox21-ror-cho-viability-p1 set2 4 -1.88990497 0.00928352 0.08391584 -0.87819943 2.69616747 1.96921975 1.28976003 3.3224706 0.45347956 3.54640668 -0.82390718 0.12560134 4.40640367 1.87428946 -1.56335275 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 12427-38-2 3032581 144211143 Ac Maneb [Mn+2].[S-]C(=S)NCCNC(=S)[S-] Tox21_300826 -NCGC00255103-01 196714008 tox21-ror-cho-viability-p1 set2 4 -0.2437374 0.19445534 -1.68047299 -1.70236806 -1.21163108 -0.05280358 0.22893459 -1.03756195 1.77189077 0.26447221 0.80887387 5.19812603 1.34742463 0.26535138 -2.46702374 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 36001-88-4 100524 144211523 A A Amiprofos-methyl S=P(Oc1ccc(C)cc1[N+]([O-])=O)(NC(C)C)OC Tox21_301206 -NCGC00255071-01 196714009 tox21-ror-cho-viability-p1 set2 4 0.15557567 2.55053302 1.72262055 -0.35154667 0.1775243 0.39492728 1.45630044 -0.19103553 2.24690398 2.39679905 2.09090447 4.35525353 1.63114311 0.61250467 0.15541506 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 127-41-3 5282108 144211490 A Fc alpha-Ionone CC1(C)CCC=C(C)C1/C=C/C(C)=O Tox21_301173 -NCGC00254047-01 196714407 tox21-ror-cho-viability-p1 set2 4 17.2289340586 -12.0086179999 0.5 -11.5086179999 3.5117481694 0.7105369022 0.0337500552 2.51911423 2.1589217 2.12039068 1.44583206 0.97519879 2.73171918 -0.60771428 1.24381877 -8.68515112 0.47299936 -1.10534078 0.63707658 -6.96352003 -10.48617161 -12.090515 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13674-87-8 26177 144210514 A A TDCPP ClCC(OP(=O)(OC(CCl)CCl)OC(CCl)CCl)CCl Tox21_300194 -NCGC00163818-04 196714411 tox21-ror-cho-viability-p1 set2 4 8.2073550576 -19.4970615039 0.5 -18.9970615039 0.5 0.8564043372 0.0018575061 -1.92886182 0.29183432 0.09883589 -0.45705296 1.50361035 -0.30316891 -3.52525619 -0.35934737 -3.77311876 -7.44401195 -8.99146031 -10.40044562 -9.52038461 -8.50773481 -17.91421792 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00254776-01 196714414 tox21-ror-cho-viability-p1 set2 4 -0.52688701 -0.45244484 0.73633741 -1.42656314 -2.24271074 1.42543842 0.65337327 1.46678522 -0.50666996 -0.58189102 2.16488941 4.80219764 1.09073299 3.39040735 3.24946789 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2226-96-2 137994 144211189 FC 4-Hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl OC1CC(C)(C)N([O])C(C)(C)C1 Tox21_300872 -NCGC00254139-01 196714415 tox21-ror-cho-viability-p1 set2 4 0.30060316 1.63045235 -0.030313 1.54103165 0.40593527 1.2285962 1.47232216 1.18163989 0.0083396 0.19300549 -0.04139301 2.04268901 2.47519414 2.03139752 1.91907155 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 115-96-8 8295 144210394 Fc Fc Tris(2-chloroethyl) phosphate ClCCOP(=O)(OCCCl)OCCCl Tox21_300074 -NCGC00254387-01 196714426 tox21-ror-cho-viability-p1 set2 4 0.12826805 -0.89145779 1.99809902 -1.00742688 2.3687506 0.62062109 -0.36785555 1.89915898 1.2553314 3.27441312 0.52233758 3.86787377 3.19646307 -0.65015177 1.07190697 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47291 9843744 144210773 A A CI-1044 Nc2cc3C(=N[C@@H](NC(=O)c1cccnc1)C(=O)N4CCc(c2)c34)c5ccccc5 Tox21_300455 -NCGC00254064-01 196714820 tox21-ror-cho-viability-p1 set2 4 2.38853331 1.54371547 -0.08262317 2.74885544 3.4819769 2.41090967 2.81800154 1.13044353 3.67605863 3.4130086 0.95617549 2.05919597 8.76436772 3.71472863 3.76102933 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-80-5 8076 144210351 A Ac 2-Ethoxyethanol CCOCCO Tox21_300031 -NCGC00256136-01 196710271 tox21-ror-cho-viability-p1 set2 4 -5.07576783 1.57288605 0.81424954 3.71126535 4.61708063 3.21046222 -0.03490064 0.0413747 0.41742404 2.20114453 1.72906659 -0.21455059 2.31880079 2.11483132 2.66802768 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 3775-90-4 19601 144212035 A Ac 2-(tert-Butylamino)ethyl 2-methylprop-2-enoate CC(C)(C)NCCOC(=O)C(=C)C Tox21_301718 -NCGC00253638-01 196722940 tox21-ror-cho-viability-p1 set3 4 18.8336317891 7.3391963839 -1.3391963839 6 3.5117481694 0.4084305409 0.2665960664 -0.51216698 1.06858646 -1.25533032 -1.69662962 -1.84716769 -2.36623614 0.70312459 1.47324978 -2.59201273 2.43060676 -8.19933032 -3.51340481 -2.23292367 3.34812399 5.60588125 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 652-37-9 69550 170466658 A A Acephylline O=C(O)Cn2cnc1c2C(=O)N(C)C(=O)N1C Tox21_113765 -NCGC00091839-03 196723351 tox21-ror-cho-viability-p1 set3 4 43.2771256911 -22.9668241159 -0.5 -23.4668241159 2.2526478767 0.917169831 0.0001248271 0.92045217 -1.66639912 -1.31227566 -1.7927701 -1.33874174 0.14032731 0.3817267 -1.26215913 -1.04888486 -1.32257242 -3.31092703 3.54267887 -4.06205427 -11.33698077 -19.97235343 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00179642-03 196723352 tox21-ror-cho-viability-p1 set3 4 -0.15839575 1.82538231 -0.07110048 3.30971667 -1.44283792 -0.57787632 2.60342926 5.08209616 3.00654409 -3.68149859 4.8670691 -5.72808545 3.34070622 3.36476406 4.68030128 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27523-40-6 3760 170466012 A Isoconazole nitrate Clc3ccc(C(OCc1c(Cl)cccc1Cl)Cn2ccnc2)c(Cl)c3 Tox21_110616_1 -NCGC00260159-01 196723768 tox21-ror-cho-viability-p1 set3 4 0.0243365162 9.485387192 -8.985387192 0.5 4.9549173134 0.4244762294 0.2485524244 -1.25762791 -14.98782266 -7.90070547 -11.46715855 -1.55246448 0.55993131 -5.80686163 7.36138139 2.7902827 2.90093799 -1.54555655 -7.18407966 -2.26530014 -1.49072925 7.02761814 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 8052-41-3 144209809 ND Stoddard solvent Tox21_202611 -NCGC00357170-01 196723769 tox21-ror-cho-viability-p1 set3 4 -6.15243627 -0.26545454 -4.00748659 -1.13747296 -2.83006404 -4.02029312 -1.28615117 2.61043869 -1.28708575 -4.64268178 -4.01873912 -5.13842971 -5.17190054 -4.8614636 -2.24228608 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5888-33-5 639970 251919911 A Isobornyl acrylate C=CC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C Tox21_303930 -NCGC00357193-01 196724178 tox21-ror-cho-viability-p1 set3 4 0.0076958822 5.0215946319 -4.0215946319 1 4.9549173134 0.3411771885 0.3309438844 -5.85132886 -2.24458791 -3.38706264 2.41231423 5.12172828 2.81953273 1.80103483 2.95519922 -2.07417149 -3.14397012 5.32347942 1.58884401 2.29204376 -4.40613566 -0.88455007 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-30-5 12313 251919675 A 3-Chloro-1-propanol ClCCCO Tox21_303962 -NCGC00164077-02 196724185 tox21-ror-cho-viability-p1 set3 4 0.8634921799 -8.523137468 3 -5.523137468 3.0654483358 0.5420983616 0.1423326599 -3.41214884 -1.32787407 2.80767263 4.43749472 8.28768958 4.03888031 8.63919583 0.47839474 0.53552397 -6.5226575 0.15130486 -5.62959974 -6.01172314 -2.81202867 -10.43594789 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00260652-01 196724187 tox21-ror-cho-viability-p1 set3 4 -2.13483235 0.27264587 2.16757357 8.63490314 -1.90094446 -0.15918419 4.06062735 2.4516698 0.57619125 1.73072549 2.30243793 2.61246094 -0.56323698 -2.94636914 0.89491646 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49548 144210305 M M NTP Mix93 ER AR1 18-EQP Tox21_203107 -NCGC00356950-01 196724192 tox21-ror-cho-viability-p1 set3 4 0.1516444 -9.08935124 5.34876757 -12.96871449 1.43286273 3.46816083 0.72263724 0.83569441 2.4542936 -7.89034339 0.20291989 -0.61667516 0.8454776 1.87492951 1.5489765 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 75389-89-8 22419268 251919697 A Diethylmethylbenzenediamine CCc1c(N)cc(C)c(CC)c1N Tox21_303857 -NCGC00174046-02 196698020 tox21-ror-cho-viability-p1 set1 4 9.1962279366 -10.811319156 4 -6.811319156 0.5 0.4098203419 0.2836934028 0.32301946 8.20204313 4.8758985 2.39109846 3.06274913 4.94071065 3.08858715 3.18933141 0.1736952 0.82012053 1.83418334 1.52704059 2.46022758 -4.00943263 4.97111986 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 55750-06-6 9983292 170466330 A Imidocarb dipropionate CCC(=O)O.CCC(=O)O.O=C(Nc1cc(ccc1)C2=NCCN2)Nc3cccc(c3)C4=NCCN4 Tox21_112415_1 -NCGC00178432-05 196698024 tox21-ror-cho-viability-p1 set1 4 1.35017427 4.01813101 0.5535 1.46954753 4.61411189 1.63596722 -4.56880924 3.41483044 0.47766328 1.26041012 2.9761462 3.43816195 0.01658711 1.00037618 3.1312169 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 207801-27-2 6419962 170466540 B Yohimbic acid monohydrate O.O=C(O)[C@H]2[C@@H](O)CC[C@H]3CN4CCc1c5ccccc5nc1[C@@H]4C[C@H]23 Tox21_110776_1 -NCGC00093739-13 196698027 tox21-ror-cho-viability-p1 set1 4 -5.26270427 -1.13120334 2.37352789 3.87133099 -0.38778648 -1.03140286 -0.27273567 3.21596394 0.49384657 3.28575284 0.37085564 0.25861113 0.00992013 0.93768466 1.17722784 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 486-56-6 854019 170466160 A Cotinine CN2C(=O)CC[C@H]2c1cnccc1 Tox21_111219_1 -NCGC00016529-07 196697636 tox21-ror-cho-viability-p1 set1 4 1.98983088 0.15205589 0.26572097 1.74061718 -1.35686504 0.72438365 -0.66832677 -0.61165328 -3.67454319 -0.33622965 -0.80518175 0.48251699 -1.41680391 0.60739604 -5.96680788 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 637-58-1 73957 170465004 A Pramoxine hydrochloride Cl.CCCCOc1ccc(cc1)OCCCN2CCOCC2 Tox21_110477_1 -NCGC00357160-01 196702989 tox21-ror-cho-viability-p1 set1 4 4.47687145 7.15873124 8.86586914 1.05303629 1.82252828 2.69896218 6.56597282 8.20013481 0.43468097 7.98075837 2.93265704 7.80354497 2.27642452 8.50778371 11.04593251 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10416-59-8 25248 251919840 F N,O-bis(Trimethylsilyl)acetamide C[Si](C)(C)OC(\C)=N/[Si](C)(C)C Tox21_303908 -NCGC00257899-01 196702165 tox21-ror-cho-viability-p1 set1 4 0.0211336573 -5.6444043039 -4.977118208 -10.6215225119 4.9549173134 0.435196435 0.2574452805 -5.22845511 -6.02474131 -5.50604434 -3.73093184 -13.14811179 -3.89360135 -12.24745697 -11.47920988 -8.15463156 -13.36769019 -10.33558066 -8.31993518 -13.85126876 -9.05858091 -6.59726926 1.2709999999E-9 2.843E-9 6.3559999999E-9 1.421E-8 3.178E-8 7.1059999999E-8 1.589E-7 3.553E-7 7.945E-7 0.0000017769999999 0.000003973 0.000008883 0.00001986 0.00004441 0.00009931 62-53-3 6115 144207543 A A Aniline Nc1ccccc1 Tox21_200345 -NCGC00090885-03 196702177 tox21-ror-cho-viability-p1 set1 4 2.63713872 0.39703497 -2.12533105 3.85551831 -1.24547095 3.65101905 1.12181137 -0.57529799 -1.95625788 -0.90991198 -3.59581457 0.45221858 6.72263479 2.93896215 -0.66839007 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00258231-01 196702590 tox21-ror-cho-viability-p1 set1 4 -9.08401383 -1.85746564 -5.02410073 -3.702426 -9.55507255 -0.73872005 -12.81606304 -8.09804156 -4.72953662 -8.22749186 -7.81570897 -13.0279102 -9.4377366 -4.85025117 -6.5328328 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 96-22-0 7288 144207875 FNS 3-Pentanone CCC(=O)CC Tox21_200677 -NCGC00357026-01 196702993 tox21-ror-cho-viability-p1 set1 -2.4 30.6378586933 -26.2620225479 0 -26.2620225479 2.0437424601 0.9142217121 0.0001485751 1.8965331 -6.02279021 -0.64293467 0.17503393 -0.29733859 -0.42318703 0.894769 -0.4755485 1.75206903 1.82405222 2.57583301 -1.362943 -9.48839555 -14.79534591 -26.88501879 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 716-79-0 12855 251919938 A 2-Phenylbenzimidazole c1cccc2nc(nc12)c3ccccc3 Tox21_303711 -NCGC00260499-01 196703006 tox21-ror-cho-viability-p1 set1 4 2.8026989 3.41867682 3.65097477 0.52149233 -1.1153549 1.44031439 -0.31768413 -0.19818101 1.81612069 0.51991192 0.30047126 3.02343018 5.49359826 3.26983008 3.83153935 1.202E-9 2.688E-9 6.01E-9 1.344E-8 3.005E-8 6.7199999999E-8 1.503E-7 3.36E-7 7.5129999999E-7 0.0000016799999999 0.0000037559999999 0.0000084 0.00001878 0.000042 0.000093909999999 98-98-6 1018 144210151 F A Picolinic acid O=C(O)c1ccccn1 Tox21_202953 -NCGC00357078-01 196703404 tox21-ror-cho-viability-p1 set1 4 -0.68797815 -0.48577851 -2.66481737 -6.88453993 -1.21980286 -2.10721115 -1.22760917 -6.01282477 -12.81056551 -1.72754628 -12.61049077 -4.60528837 -7.48867987 -2.75092869 0.26193086 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-48-8 6645 251919950 A Methyl toluene-4-sulfonate COS(=O)(=O)c1ccc(C)cc1 Tox21_303790 -NCGC00357202-01 196703416 tox21-ror-cho-viability-p1 set1 4 -1.58118177 0.01121874 4.08979545 -3.29509593 1.99224899 1.23983224 3.11559298 3.20645772 2.37006828 -0.08670115 3.04929375 -0.09964243 1.13251461 1.57951556 0.62597334 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-82-5 7722 251919842 B 4-Methylbenzyl chloride Cc1ccc(CCl)cc1 Tox21_303978 -NCGC00260239-01 196703417 tox21-ror-cho-viability-p1 set1 4 0.2173406552 -3.9465101081 4 0.0534898919 4.9549173134 0.3954732439 0.2962763424 0.21790601 -0.00371905 9.00814252 3.7288426 5.18481042 6.01923336 4.1881978 -0.26559265 -0.45244546 -1.08777545 -0.23878546 -1.20542509 2.63173133 2.32215391 4.349037 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.61E-8 1.4779999999E-7 3.305E-7 7.3899999999E-7 0.0000016529999999 0.0000036949999999 0.000008263 0.00001848 0.00004131 0.000092379999999 882172-79-4 60196392 144209889 FNS 1-Butyl-4-methylpyridinium trifluoromethanesulfonate Cc1cc[n+](CCCC)cc1.FC(F)(F)S([O-])(=O)=O Tox21_202691 -NCGC00260147-01 196703425 tox21-ror-cho-viability-p1 set1 4 4.80178952 2.91750281 -0.89952997 -1.37032734 1.18660911 1.4061007 7.82350148 3.17882169 5.81172055 7.19807358 0.99362889 3.74613944 3.1418488 -1.37181046 4.13599843 1.1689999999E-9 2.615E-9 5.8469999999E-9 1.3069999999E-8 2.9239999999E-8 6.537E-8 1.462E-7 3.269E-7 7.309E-7 0.0000016339999999 0.0000036549999999 0.000008172 0.00001827 0.00004086 0.000091359999999 7772-99-8 5284466 144209797 Tin(II) chloride [Sn+2].[Cl-].[Cl-] Tox21_202599 -NCGC00357260-01 196703818 tox21-ror-cho-viability-p1 set1 4 0.30172605 1.135562 0.21773041 0.19141909 -1.49946962 1.4963273 -5.54183369 2.34991025 8.85459352 0.72647372 -1.47910414 -2.04697137 -0.12761278 0.05099728 -1.96374022 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16529-56-9 27909 251919687 Ac 2-Methyl-3-butenenitrile C=CC(C)C#N Tox21_303720 -NCGC00260204-01 196703826 tox21-ror-cho-viability-p1 set1 4 -1.00232228 1.97951224 -3.46168847 -1.41397686 -0.27196842 -3.91455264 0.10478579 4.12525821 3.72296499 -2.61678667 0.13321884 5.0689352 -1.50344633 -1.28761896 -4.01107314 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.569E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003672 0.0000082119999999 0.000018359999999 0.00004106 0.00009181 244193-48-4 11171853 144209854 A A 1-Methyl-3-propylimidazolium tetrafluoroborate C[n+]1ccn(CCC)c1.F[B-](F)(F)F Tox21_202656 -NCGC00260391-01 196703843 tox21-ror-cho-viability-p1 set1 4 1.61851168 -7.03733547 0.3838027 1.35867322 0.00203032 2.16524237 -0.5314856 0.72423221 1.18964755 0.28220105 2.89104351 -0.33236679 0.01998925 -4.30901254 -0.18841432 2.992E-10 6.6909999999E-10 1.4959999999E-9 3.346E-9 7.481E-9 1.6729999999E-8 3.74E-8 8.364E-8 1.87E-7 4.1819999999E-7 9.351E-7 0.000002091 0.000004676 0.000010449999999 0.000023379999999 544-77-4 11007 144210043 Fc 1-iodohexadecane CCCCCCCCCCCCCCCCI Tox21_202845 -NCGC00259706-01 196705869 tox21-ror-cho-viability-p1 set1 4 1.3824720307 11.9720404879 -13.9720404879 -2 0.6 0.5304189866 0.1523339754 -15.16797281 -9.85393391 -12.46938347 -12.19397232 -15.81003374 -14.64424853 -9.66189765 -11.39117209 -8.05872719 -12.55318492 2.7314676 -6.40627747 -5.27413887 -8.37619686 -1.83385591 1.19E-9 2.661E-9 5.951E-9 1.331E-8 2.975E-8 6.653E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.000003719 0.000008317 0.0000186 0.00004158 0.00009298 95-50-1 7239 144209355 AC Ac 1,2-Dichlorobenzene Clc1ccccc1Cl Tox21_202157 -NCGC00095042-06 196705455 tox21-ror-cho-viability-p1 set1 4 4.77331719 1.45686513 -0.7853067 1.0110435 1.59322013 0.41803507 -0.49096403 -1.4037228 2.60865369 -1.25351112 2.81472507 2.09215452 -0.23736879 2.51950357 -1.79834529 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00259850-01 196705851 tox21-ror-cho-viability-p1 set1 4 0 4.79721199 -1.33265188 5.31894621 3.4347366 2.76852687 1.43339329 3.62976363 0.19899769 16.92855291 2.26554752 5.05315509 1.17446198 -1.81988947 -3.67630266 1.191E-9 2.663E-9 5.954E-9 1.331E-8 2.977E-8 6.657E-8 1.489E-7 3.3279999999E-7 7.4429999999E-7 0.0000016639999999 0.000003721 0.0000083209999999 0.00001861 0.000041609999999 0.00009303 101-86-0 7585 144209499 A A 2-Benzylideneoctanal O=CC(CCCCCC)=Cc1ccccc1 Tox21_202301 -NCGC00259969-01 196705855 tox21-ror-cho-viability-p1 set1 4 0.94216485 1.39766951 0.74017458 -2.43524622 -2.65666715 -0.33749044 -2.38463777 -3.78868854 -3.3696774 -1.96315247 -0.07522014 -1.44744569 2.08799861 -3.32469891 -1.28124026 1.1999999999E-9 2.684E-9 6.001E-9 1.3419999999E-8 3E-8 6.7089999999E-8 1.5E-7 3.355E-7 7.5009999999E-7 0.000001677 0.0000037509999999 0.000008387 0.00001875 0.00004193 0.00009376 84-75-3 6786 144209618 A A Dihexyl phthalate O=C(OCCCCCC)c1ccccc1C(=O)OCCCCCC Tox21_202420 -NCGC00259048-01 196705870 tox21-ror-cho-viability-p1 set1 4 -3.40604618 -3.17582049 -2.98856338 -1.20413893 0.04171137 1.61651195 1.11928116 0.84240171 -0.60264991 0 0.57743795 -0.8743119 -2.15225947 -4.18037574 -2.39708052 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 634-66-2 12463 144208695 A Ac 1,2,3,4-Tetrachlorobenzene Clc1ccc(Cl)c(Cl)c1Cl Tox21_201497 -NCGC00244579-01 196706273 tox21-ror-cho-viability-p1 set1 -3 61.130564862 -52.5351358646 -0.271760863 -52.8068967276 4.9549173134 0.908569991 0.0002050618 0.16814064 0.1436015 2.68827636 1.16330203 6.04546837 1.05021123 -0.1467402 0.05865765 -12.45437164 0.55189112 0.37625064 -1.12994397 0.38061017 -6.69718035 -46.67214026 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00091380-04 196706683 tox21-ror-cho-viability-p1 set1 4 -13.26906203 -5.14808545 -13.601558 -14.21090769 1.17213886 1.12949085 0.51320581 -3.57547557 2.57343132 -10.30206752 2.92976021 -5.42811426 -3.98350801 -10.59609655 -7.34111829 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00259314-01 196706686 tox21-ror-cho-viability-p1 set1 4 68.5198756601 -20.428277968 4.5 -15.928277968 0.7999999999 0.508099473 0.1717232198 1.28122296 10.29686899 0.94818179 9.35687656 7.13148901 5.56683272 0.32805604 0.9458799 3.20402807 7.90310662 -1.91247631 0.11728377 0.1975408 0.09445354 -9.94023164 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.00004119 0.000092099999999 607-57-8 11831 144208963 A A 2-Nitrofluorene [O-][N+](=O)c1ccc2c3ccccc3Cc2c1 Tox21_201765 -NCGC00260425-01 196703816 tox21-ror-cho-viability-p1 set1 4 2.1822355519 -13.9221837239 2.5 -11.4221837239 4.9549173134 0.7573444961 0.0173785122 1.89124193 -1.07505551 1.65285545 1.96733037 0.62005777 1.96244054 3.39686109 4.36528912 6.63408087 0.27084309 -16.1783968 -12.30389722 -16.60181977 -1.5637445 -10.88924065 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.629E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008287 0.00001853 0.000041429999999 0.00009265 93-91-4 7166 144210077 A I 1-Benzoylacetone O=C(CC(C)=O)c1ccccc1 Tox21_202879 -NCGC00260097-01 196703379 tox21-ror-cho-viability-p1 set1 4 -0.34408824 -0.57781648 0.25475285 -2.38293889 -1.15478367 -4.7636908 -1.05289683 1.69164391 -2.49976862 -2.28229936 -11.24077716 -6.2611965 -2.45510935 1.77933187 2.61159954 5.571E-10 1.2459999999E-9 2.785E-9 6.2279999999E-9 1.393E-8 3.114E-8 6.963E-8 1.557E-7 3.482E-7 7.7849999999E-7 0.000001741 0.000003893 0.000008704 0.00001946 0.00004352 218-01-9 9171 144209746 A A Chrysene c1cc4ccccc4c2ccc3ccccc3c12 Tox21_202548 -NCGC00260283-01 196703382 tox21-ror-cho-viability-p1 set1 4 -1.20593686 -0.20447408 -1.32042466 2.10494098 -5.41373568 4.91786576 -0.62966366 0.06013888 10.33135561 -8.16084276 -2.43653423 2.65511523 3.00904809 -2.16501654 3.25504599 2.955E-10 6.6069999999E-10 1.477E-9 3.303E-9 7.387E-9 1.652E-8 3.6929999999E-8 8.258E-8 1.847E-7 4.1289999999E-7 9.233E-7 0.0000020649999999 0.000004617 0.00001032 0.000023079999999 137-40-6 2723816 144209933 A Sodium propionate [Na+].[O-]C(=O)CC Tox21_202735 -NCGC00090858-02 196703400 tox21-ror-cho-viability-p1 set1 4 0.0136854288 3.7898756279 -1.2898756279 2.5 3.1319983358 0.3776206808 0.2984964711 0.35920192 -1.70962654 -3.15822969 1.32712565 1.16360499 4.30901703 0.8890644 0.75369591 3.42854428 1.18796312 2.94901403 2.60219701 2.18745124 -0.373392 8.16187404 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00254887-01 196715255 tox21-ror-cho-viability-p1 set2 4 -4.39308219 -2.51082022 -1.47818799 -4.73902559 -4.05258805 -0.72166353 -6.23842259 1.73255625 0.35025636 -0.47024063 -2.80098542 -1.25922474 -0.65801371 1.44914944 0.49281493 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 544-40-1 11002 144211302 AC Fns Dibutyl sulfide CCCCSCCCC Tox21_300985 -NCGC00254395-01 196715240 tox21-ror-cho-viability-p1 set2 4 -2.89596864 0.07301836 0.40592778 0.76055837 -0.91200093 2.15677416 1.13644613 -3.03650301 5.78419437 0.05336769 0.1327829 6.33892137 4.71611798 4.66485818 4.81229904 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-53-2 3293 144210646 A A Ethoxyquin CCOc1ccc2NC(C)(C)C=C(C)c2c1 Tox21_300328 -NCGC00254679-01 196715242 tox21-ror-cho-viability-p1 set2 4 0.99182841 1.02481191 1.18759982 0.27554853 -0.68148156 1.02831231 -0.24176074 0.92502425 1.32038332 1.73535007 0.85369057 4.22048092 0.90302116 1.01583452 1.90159769 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-86-8 6951 144211092 A A 2,5-Dichloro-3-nitrobenzoic acid O=[N+]([O-])c1cc(Cl)cc(C(=O)O)c1Cl Tox21_300775 -NCGC00254017-01 196715257 tox21-ror-cho-viability-p1 set2 4 0.17650515 -4.42132567 -2.26503795 -0.25908638 -0.35346282 -3.6795508 -2.2586076 -8.74299924 -1.43861043 -5.38749349 -1.40828941 -3.49150359 -5.58079092 1.49187206 0.14838858 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 58-93-5 3639 144210612 A A Hydrochlorothiazide NS(=O)(=O)c2cc1c(NCNS1(=O)=O)cc2Cl Tox21_300292 -NCGC00257841-01 196715650 tox21-ror-cho-viability-p1 set2 4 -0.97962469 -9.72017767 -6.1169125 -6.56799155 1.12880869 2.51712392 -0.58954068 -4.45327109 3.21289783 0.62599451 0.26204377 0.28804792 -7.90872943 -8.09469744 -1.57932907 1.164E-9 2.602E-9 5.818E-9 1.301E-8 2.909E-8 6.5039999999E-8 1.454E-7 3.252E-7 7.2719999999E-7 0.0000016259999999 0.000003636 0.00000813 0.00001818 0.00004065 0.0000909 119-39-1 8394 144207485 FNS 1(2H)-Phthalazinone O=C1NN=Cc2ccccc12 Tox21_200287 -NCGC00094532-06 196715651 tox21-ror-cho-viability-p1 set2 4 -0.67841888 0.27738875 1.13891792 -4.45921402 0.94396721 -1.42161028 0.87625125 -0.47032815 4.66524612 0.72692509 1.84398405 -6.56331574 1.0308472 1.69907478 0.28340528 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00260401-01 196711947 tox21-ror-cho-viability-p1 set2 4 3.4551111295 7.219266248 0.780733752 8 0.6 0.5130637224 0.169305747 3.23605624 -1.08716167 1.28202346 -1.84938854 3.52132 2.23442263 0.66353811 4.75757124 -0.00367839 2.92835961 4.26814314 8.95548281 2.83564001 8.26821776 6.29987304 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.625E-8 1.481E-7 3.3129999999E-7 7.407E-7 0.000001656 0.000003704 0.000008281 0.00001852 0.000041409999999 0.000092589999999 614-39-1 66068 144210053 A Procainamide hydrochloride Cl.O=C(NCCN(CC)CC)c1ccc(N)cc1 Tox21_202855 -NCGC00260090-01 196711931 tox21-ror-cho-viability-p1 set2 2.1 61.4415298105 128.7800420971 -7.1924363282 121.5876057689 2.9522712143 0.9404114513 0.0000217603 -0.73722023 0.7692711 -10.75632241 -2.7787742 -2.75036181 -5.24002382 -10.05119844 -9.6816251 -19.51138886 -0.15342548 -21.91588341 -4.20539258 0 21.1755946 93.88183637 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.311E-7 7.405E-7 0.000001656 0.000003702 0.000008279 0.00001851 0.00004139 0.00009256 17831-71-9 28803 144209739 Ac Ac Tetraethylene glycol diacrylate O=C(OCCOCCOCCOCCOC(=O)C=C)C=C Tox21_202541 -NCGC00260191-01 196711942 tox21-ror-cho-viability-p1 set2 4 -2.11679577 -3.95804977 -3.93289681 -4.39183079 -5.20681109 -12.05467609 -15.11547196 -2.75785857 0 0 -14.93586649 -3.60092117 0 -13.0967709 4.91629713 1.187E-9 2.6549999999E-9 5.936E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.3189999999E-7 7.42E-7 0.000001659 0.0000037099999999 0.0000082959999999 0.00001855 0.000041479999999 0.00009276 35935-34-3 11075478 144209841 A A 1-Ethyl-3-methylimidazolium iodide [I-].C[n+]1ccn(CC)c1 Tox21_202643 -NCGC00260060-01 196711943 tox21-ror-cho-viability-p1 set2 4 0.0383747395 -11.6268585641 -2.3321146519 -13.958973216 1.4641 0.4448842478 0.2289883042 -0.27676221 -0.80588546 -11.03649526 -1.09887577 -1.03056115 -17.29002684 -8.52795309 -17.06437962 -21.63247768 -13.98044942 -11.88926576 -5.2078538 -19.30322451 -7.16741443 -15.1997275 1.175E-9 2.628E-9 5.877E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.346E-7 0.000001643 0.000003673 0.0000082129999999 0.000018359999999 0.00004107 0.000091819999999 1239-45-8 14710 144209709 A C Ethidium bromide [Br-].CC[n+]3c4cc(N)ccc4c1ccc(N)cc1c3c2ccccc2 Tox21_202511 -NCGC00260632-01 196711955 tox21-ror-cho-viability-p1 set2 4 6.6824247267 -12.3493354319 -1.5 -13.8493354319 4.9549173134 0.3559770144 0.3137971546 0.95116118 2.34680913 1.72472353 -2.42727289 -1.06927464 3.0143856 -11.67096102 2.86944384 -20.29111286 3.69835859 1.27902599 2.43504236 -14.119834 -15.41269489 -10.90831421 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49528 144210285 M M NTP Mix108 ER1 10-EQC Tox21_203087 -NCGC00091205-03 196712351 tox21-ror-cho-viability-p1 set2 4 0.07313055 -0.22246276 0.30755233 1.26372525 -0.55437197 -0.22179469 6.18641584 4.07421547 2.62664216 0.46137191 3.51609219 4.52357486 1.35413506 6.63022996 1.7413432 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00357005-01 196712358 tox21-ror-cho-viability-p1 set2 2.4 68.5896218971 31.8947506121 1.6052493879 33.5 4.9549173134 0.9486651892 0.0000097772 -0.74562551 3.64684317 2.19256791 2.39979085 0.82732211 -0.2296421 1.37138077 2.59121817 3.28963534 4.17775509 0.25719699 3.38118753 1.12271377 2.28075001 27.61089613 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 152019-73-3 15842092 251919833 I Metolachlor OA O=C(O)C(=O)N(C(C)COC)c1c(C)cccc1CC Tox21_304002 -NCGC00016509-06 196698473 tox21-ror-cho-viability-p1 set1 4 -2.62491555 -1.09667531 0.47714457 1.61137948 1.33181563 1.65209971 -1.13173244 -2.42070766 1.32162331 -3.22781132 -2.12553201 0.78134805 1.16552445 0.04628844 2.83131355 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 554-92-7 68385 170465132 A Trimethobenzamide hydrochloride Cl.COc1c(cc(cc1OC)C(=O)NCc2ccc(OCCN(C)C)cc2)OC Tox21_110465_1 -NCGC00015562-25 196698477 tox21-ror-cho-viability-p1 set1 4 0.60067755 -0.05930102 -3.51151041 -4.00687836 -11.01153262 1.56408312 -1.03002712 -0.78422196 -1.51186837 -3.77170869 -2.78023341 -6.94778389 -0.07756737 -1.0573206 1.35730826 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53-86-1 3715 170464705 A Indomethacin Clc1ccc(cc1)C(=O)n3c2ccc(cc2c(CC(=O)O)c3C)OC Tox21_113109_1 -NCGC00181161-03 196698463 tox21-ror-cho-viability-p1 set1 4 -4.84447242 -4.40409903 -0.3899549 -0.04676444 -0.11818163 0.93513105 1.07988832 3.93170348 -4.95354171 1.20486309 2.4108787 0.77972695 0.9208151 -0.35791636 0.29541925 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118-61-6 8365 170466844 F Ethyl salicylate Oc1ccccc1C(=O)OCC Tox21_112764_1 -NCGC00095042-06 196698464 tox21-ror-cho-viability-p1 set1 4 1.08873163 7.40207112 2.21649122 1.9719549 3.91316561 -0.21523302 -1.03969807 2.6597146 1.90687773 2.8932646 0.40423573 5.03479642 2.60714293 2.02020766 0.14111416 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00274272-01 196698484 tox21-ror-cho-viability-p1 set1 4 -0.1058552 -1.40815491 -3.03623817 -0.11429829 0.02459881 -1.22889069 0.11471878 0.8173316 0.592502 0.64054052 -2.22448621 -2.54814504 0.6070847 2.36907694 -1.74509426 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3115-05-7 18377 170465948 I F Iobenzamic acid Ic1cc(I)c(N)c(I)c1C(=O)N(CCC(=O)O)c2ccccc2 Tox21_113974 -NCGC00254435-01 196698892 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -17.050647168 2 -15.050647168 4.9549173134 0.8633423138 0.0014944162 -0.56499491 2.98028806 3.95619506 1.19347823 3.81913714 0.32652787 2.40177279 2.85928571 -0.09563791 2.92018828 0.57007569 1.87780866 1.30640616 1.12510546 -11.70887264 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2550-40-5 17356 144210936 A Ac Dicyclohexyl disulfide S(SC1CCCCC1)C2CCCCC2 Tox21_300619 -NCGC00255105-01 196699295 tox21-ror-cho-viability-p1 set1 4 2.50890879 -1.589866 0.02554087 -4.79832824 -1.831077 0.54964811 0.02995513 -3.94774724 -5.36517795 2.4176563 -1.87231437 -5.49885217 1.03971361 -1.49314435 2.69851922 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 106-68-3 246728 144211525 FNS 3-Octanone CCC(=O)CCCCC Tox21_301208 -NCGC00254883-01 196699302 tox21-ror-cho-viability-p1 set1 4 6.1130564862 -8.819085748 -1.5 -10.319085748 0.9999999999 0.6135920761 0.0882638822 -6.04000527 -0.05248284 0.02711022 0.07397232 -3.57852847 0.30307175 -2.37796925 -4.23678602 -1.77236095 -1.84949527 -2.99630961 -10.93067894 -5.13046191 -11.51590479 -8.58263787 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10469-09-7 82646 144211298 A Ac 3,4,5,6-Tetrachloropyridine-2-carboxylic acid Clc1c(Cl)c(nc(Cl)c1Cl)C(=O)O Tox21_300981 -NCGC00254192-01 196699304 tox21-ror-cho-viability-p1 set1 4 -2.97603695 -2.86250545 -4.22132444 -4.91552194 -4.7127937 -0.38470625 -3.23220126 0.50166569 0.7533314 2.11056266 0 -4.90411376 2.63028196 0.07889443 1.62900014 1.1219999999E-9 2.509E-9 5.61E-9 1.254E-8 2.8049999999E-8 6.272E-8 1.402E-7 3.1359999999E-7 7.012E-7 0.000001568 0.0000035059999999 0.00000784 0.00001753 0.0000392 0.00008765 184653-84-7 193943 144210533 A A Carabersat Fc1ccc(cc1)C(=O)N[C@H]2c3cc(ccc3OC(C)(C)[C@@H]2O)C(C)=O Tox21_300213 -NCGC00254544-01 196699712 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -39.410621803 -2 -41.410621803 4.9549173134 0.9310345386 0.000047667 -1.42662097 -5.7423336 -2.76379872 -0.31567474 -5.95967471 -0.14326083 -1.27405894 -2.11519935 -2.02246854 -2.98959796 -0.75245071 -6.02792235 0.63007146 -2.59710154 -34.05604905 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1024-57-3 13930 144210938 A F Heptachlor epoxide ClC3=C(Cl)C4(Cl)C2C(C1OC1C2Cl)C3(Cl)C4(Cl)Cl Tox21_300621 -NCGC00254602-01 196699716 tox21-ror-cho-viability-p1 set1 -2.1 30.5444110439 -89.7119456813 -3.468981492 -93.1809271733 2.1210667061 0.9593081414 0.0000026938 -12.81867735 -1.4698237 -11.94225282 -0.9189647 -1.83800318 -1.01329182 3.33596475 2.29298993 0.75554207 -11.60690155 -1.7051109 -13.49928193 -26.87623584 -61.90607772 -91.35385017 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 29091-21-2 34469 144211011 A A Prodiamine [O-][N+](=O)c1cc(c(N)c([N+]([O-])=O)c1N(CCC)CCC)C(F)(F)F Tox21_300694 -NCGC00254715-01 196698913 tox21-ror-cho-viability-p1 set1 4 61.130564862 -12.777034616 0.5 -12.277034616 3.9899729863 0.9009817779 0.0003186549 -0.82270807 -0.46415258 1.36358821 1.39428177 1.64347478 -1.25481321 -0.39703101 0.47977288 0.49356231 1.13928392 0.43567573 1.63258598 1.37754258 -1.56939121 -10.23086218 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2310-17-0 4793 144211128 A A Phosalone CCOP(=S)(OCC)SCN1c2ccc(Cl)cc2OC1=O Tox21_300811 -NCGC00015826-13 196725064 tox21-ror-cho-viability-p1 set3 1.2 5.9557173066 45.211674527 -0.428098031 44.783576496 2.3331733767 0.9161834815 0.0002561622 -11.23439052 1.57159199 -0.97199575 0.85394954 -0.29507267 -0.27554044 -0.57840517 -1.36261373 2.13652166 6.65557399 3.18674266 9.34996312 38.3823476 39.1200801 -22.3842384 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-39-9 4748 170464834 A Perphenazine OCCN1CCN(CC1)CCCN2c4ccccc4Sc3ccc(Cl)cc23 Tox21_110233_1 -NCGC00015925-12 196725058 tox21-ror-cho-viability-p1 set3 4 0.45641679 0.2147786 -0.22122086 -4.33679196 -9.64234957 -3.27131094 -6.39367558 0.70715727 -2.91442329 -5.24571601 -3.52749546 0.54243365 -4.08863295 -3.31446386 -4.85348692 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 526-08-9 5335 170465185 Ac Sulfaphenazole Nc1ccc(cc1)S(=O)(=O)Nc3ccnn3c2ccccc2 Tox21_110262_1 -NCGC00015861-09 196725059 tox21-ror-cho-viability-p1 set3 4 1.2575858 -0.35339491 1.83161529 1.02018045 4.93393269 3.17739077 5.03508871 0 7.52660608 12.66257047 5.03139263 0.46027138 13.26150313 0.47108324 1.46146519 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55242-55-2 4938 170465624 A Propentofylline CC(=O)CCCCN2C(=O)c1n(cnc1N(C)C2=O)CCC Tox21_110247_1 -NCGC00091261-03 196725062 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -23.72529494 -3 -26.72529494 4.4494702849 0.5340251029 0.1490260691 -3.30068619 -8.33026382 6.60293166 0.77691949 -1.44375453 -0.46638444 -4.3298733 -6.32001899 -4.28011253 -10.16800975 -0.51730804 -1.36425681 -3.89518639 -3.16415366 -19.35441245 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00016393-07 196725067 tox21-ror-cho-viability-p1 set3 4 0.66750281 0.84506188 10.27962361 -0.03069318 -1.06612038 -6.85796008 -1.16268089 5.86548558 3.14675904 -6.56407208 3.23009512 14.44738023 -7.04531072 12.36617336 -3.10299902 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 131-53-3 8569 170465540 A 2,2'-Dihydroxy-4-methoxybenzophenone O=C(c1ccc(cc1O)OC)c2ccccc2O Tox21_110417_1 -NCGC00016229-14 196725069 tox21-ror-cho-viability-p1 set3 4 0.0007497804 -7.226288384 6 -1.226288384 4.9549173134 0.3115840832 0.3619538613 4.51883639 -1.18317298 -0.01543437 0.3090723 1.98092173 -1.64024926 -0.38376243 -2.10864278 -4.51334604 -6.85524032 -0.23252424 -2.87676269 0.10335294 -0.58045841 1.05649497 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-52-5 657298 170464965 A Propylthiouracil S=C1NC(CCC)=CC(=O)N1 Tox21_110882_1 -NCGC00167962-06 196725075 tox21-ror-cho-viability-p1 set3 4 0.0188336318 -4.3530154399 2.5 -1.8530154399 2.4063783767 0.4484108434 0.2290342058 1.4503937 1.43922911 0.4342741 7.83829992 -0.72474121 -1.33136214 0.088408 -1.85964862 -4.23492248 -1.10945821 -4.10139067 0.97438906 -1.49986618 -4.4608462 -1.30121454 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82586-55-8 54891 170465312 A Quinapril hydrochloride Cl.O=C(OCC)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2Cc3ccccc3C[C@H]2C(=O)O Tox21_111381_1 -NCGC00090954-07 196725076 tox21-ror-cho-viability-p1 set3 4 0 -13.71324696 0 -13.92877838 -0.88321551 -4.99083632 -1.73315392 -10.4813361 -1.92286561 1.02221698 -11.39205221 -11.39135837 4.28360781 3.7582754 -7.275166 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1642-54-2 15432 170465631 F Diethylcarbamazine citrate O=C(N1CCN(C)CC1)N(CC)CC.O=C(O)C(O)(CC(=O)O)CC(=O)O Tox21_110748_1 -NCGC00091632-02 196726307 tox21-ror-cho-viability-p1 set3 4 0.019331182 -9.184286196 7.5 -1.684286196 0.6999999999 0.7252456022 0.0282721984 7.88763659 3.93728595 3.91210515 3.84714652 4.57377002 0.502568 -0.42229758 -1.17329769 -1.38761343 -0.92626736 -3.4532897 3.29988167 -3.90357183 -1.25298728 -2.41699195 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00344524-01 196725481 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -83.3376136431 -3.119621648 -86.4572352911 4.9549173134 0.9761821194 1.3E-7 -2.09813775 -5.03229143 -0.63629858 -0.0324124 -3.55390545 -3.47911139 -5.5614313 -1.00289075 -9.03387741 -8.66095191 -0.86670886 -2.61599358 -1.67911154 -9.08102211 -75.83968008 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122-18-9 31202 170465465 A Benzylhexadecyldimethylammonium chloride [Cl-].C[N+](C)(Cc1ccccc1)CCCCCCCCCCCCCCCC Tox21_112574_1 -NCGC00025349-05 196725494 tox21-ror-cho-viability-p1 set3 -2.2 26.6032120037 -64.5331468178 1.7353971699 -62.7977496479 2.0437424601 0.9507526368 0.0000077416 0.84635688 3.70110984 -1.62191875 2.08674232 -1.3855281 3.9356119 1.17068517 -0.88945088 3.02497511 2.01798681 3.69029067 3.83301169 -11.86657497 -17.44738631 -48.7104164 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-00-4 6005 170465297 A Apomorphine Oc3ccc2C[C@@H]1c4c(CCN1C)cccc4c2c3O Tox21_110967_1 -NCGC00015846-15 196725913 tox21-ror-cho-viability-p1 set3 4 0 -5.0553077 -2.16385183 0.59966962 -8.40181504 -0.13025793 -8.46753021 -6.54547789 -2.07212623 1.72420206 2.0091598 1.08759377 2.69134161 -6.02614877 -7.29076126 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-33-9 4781 170465040 A Phenylbutazone O=C3C(CCCC)C(=O)N(c1ccccc1)N3c2ccccc2 Tox21_110242_1 -NCGC00259135-01 196706716 tox21-ror-cho-viability-p1 set1 4 2.4163376151 8.7734762559 -9.2734762559 -0.5 4.9549173134 0.5084558909 0.1711761331 -12.90798476 -6.18130593 -13.58535795 -13.97789688 -8.37812871 -8.47515422 0.8183615 -10.72048874 -7.80846997 -11.41476336 2.21544586 0.05048352 2.32692106 -3.87718812 -4.01859855 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.558E-8 1.466E-7 3.279E-7 7.3319999999E-7 0.0000016389999999 0.0000036659999999 0.000008197 0.00001833 0.00004099 0.00009165 52645-53-1 40326 144208784 I I Permethrin Cl/C(Cl)=C/C3C(C(=O)OCc2cccc(Oc1ccccc1)c2)C3(C)C Tox21_201586 -NCGC00259912-01 196706294 tox21-ror-cho-viability-p1 set1 4 3.5242271 6.78324766 2.87475248 4.62433355 3.73963103 3.23012898 3.46293114 2.59594788 -1.12354511 5.74985649 1.61260092 -1.02157821 -0.33978598 -1.43959247 0.79367563 1.208E-9 2.702E-9 6.041E-9 1.3509999999E-8 3.021E-8 6.754E-8 1.51E-7 3.3769999999E-7 7.552E-7 0.000001689 0.0000037759999999 0.0000084429999999 0.00001888 0.00004222 0.0000944 79-43-6 6597 144209561 A A Dichloroacetic acid ClC(Cl)C(=O)O Tox21_202363 -NCGC00259071-01 196706296 tox21-ror-cho-viability-p1 set1 4 15.0746540309 -20.777242676 -0.5 -21.277242676 0.3 0.4465921207 0.2277156156 -2.01660565 -3.12202084 2.46435794 0.28747969 -15.87221142 -1.74387742 0.50083289 -8.02287293 -6.05849933 -3.91763063 -9.66926916 -13.12158169 -9.4371614 -9.06033882 -16.89770223 1.162E-9 2.5969999999E-9 5.808E-9 1.299E-8 2.9039999999E-8 6.493E-8 1.4519999999E-7 3.247E-7 7.2599999999E-7 0.000001623 0.0000036299999999 0.000008117 0.000018149999999 0.000040579999999 0.00009075 117-79-3 8341 144208719 A A 2-Aminoanthraquinone Nc2ccc3C(=O)c1ccccc1C(=O)c3c2 Tox21_201521 -NCGC00259698-01 196706711 tox21-ror-cho-viability-p1 set1 4 0.9361217 -3.3520335 0.39245117 -7.55161601 0.16418063 0.06765207 0.89340433 -0.54114882 -0.16838307 -1.4137728 0.56414122 4.10203304 -7.12063822 -1.10050022 -6.53603998 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.305E-7 7.3889999999E-7 0.0000016519999999 0.0000036949999999 0.000008262 0.000018469999999 0.00004131 0.00009237 143-07-7 3893 144209347 A A Dodecanoic acid O=C(O)CCCCCCCCCCC Tox21_202149 -NCGC00091009-05 196706724 tox21-ror-cho-viability-p1 set1 4 -7.98161148 -0.69761528 -3.82559561 -5.09537685 -0.14760986 -6.95488085 -1.63056505 -2.57018509 8.03442312 -2.33256593 -2.44999427 -5.93867683 -4.03806315 -5.03201613 -17.61718894 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00256994-01 196707121 tox21-ror-cho-viability-p1 set1 4 43.2771256911 12.0331521878 -10.7922185479 1.2409336399 1.4163171 0.3818932953 0.2903146494 -13.10831319 -13.01219717 -9.64655568 -0.63825157 -13.12296738 -10.22681998 -10.8966012 -12.85935542 -12.14333667 -13.61679479 -14.82684879 -5.16421929 -7.66063757 -6.79780812 -0.6325553 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-51-1 7390 144213518 Cc Fns 4-tert-Butyltoluene Cc1ccc(cc1)C(C)(C)C Tox21_303201 -NCGC00258044-01 196702173 tox21-ror-cho-viability-p1 set1 4 3.3538945283 -5.4698067239 4 -1.4698067239 1.6266150999 0.4207559913 0.2541356388 -1.00849393 2.79254008 2.89611271 9.64673809 -0.50208628 8.65877023 4.90317567 4.3010585 2.81834391 3.73491724 0.74304993 -1.27105712 -0.58562886 -2.05817227 -1.25703828 1.156E-9 2.5839999999E-9 5.779E-9 1.292E-8 2.889E-8 6.461E-8 1.4449999999E-7 3.23E-7 7.224E-7 0.000001615 0.000003612 0.000008076 0.000018059999999 0.00004038 0.00009029 96-48-0 7302 144207688 A B 4-Butyrolactone O=C1CCCO1 Tox21_200490 -NCGC00257675-01 196702159 tox21-ror-cho-viability-p1 set1 4 -3.6883659 -0.28215303 -8.38620558 10.19370333 -8.43110387 -8.43347427 -7.46457103 -5.87727759 5.57407225 -11.46689225 1.53961186 0.44942433 -6.61117073 -0.38825357 -7.42120412 1.187E-9 2.654E-9 5.9329999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.4829999999E-7 3.317E-7 7.417E-7 0.0000016579999999 0.000003708 0.000008292 0.00001854 0.00004146 0.000092709999999 2113-57-7 16449 144207319 A A 3-Bromobiphenyl Brc1cc(ccc1)c2ccccc2 Tox21_200121 -NCGC00091643-08 196702166 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -38.673141068 1 -37.673141068 4.9549173134 0.7214512786 0.0291711855 0.37405038 4.71246243 0.32830363 3.16305864 4.3728487 4.15108419 0.52355181 1.92398848 -0.15854715 -1.59433988 0.82201833 4.98543808 -15.55479813 1.32353292 -30.56095089 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00257950-01 196702167 tox21-ror-cho-viability-p1 set1 4 -6.22887339 -3.94415733 2.37648155 -10.30702671 -8.37078328 -3.34878008 -11.00366991 -9.75129256 1.92746965 -8.44279194 -13.13142546 -2.16008374 -13.22626452 -3.53599816 -5.53787812 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.6299999999E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008287 0.00001853 0.000041439999999 0.00009265 4884-68-8 71833 144207594 D Hydrastinine hydrochloride Cl.CN1CCc2cc3OCOc3cc2C1O Tox21_200396 -NCGC00258378-01 196702576 tox21-ror-cho-viability-p1 set1 4 7.38724321 -1.01305914 -0.95772813 4.37038 0.23861438 2.62464898 5.07600606 1.86029792 7.5936495 -1.89329008 5.6673689 -0.7191764 2.40013942 5.52513308 0.90021727 1.226E-9 2.741E-9 6.13E-9 1.371E-8 3.065E-8 6.8529999999E-8 1.532E-7 3.4269999999E-7 7.662E-7 0.000001713 0.0000038309999999 0.000008566 0.000019149999999 0.000042829999999 0.000095769999999 107-05-1 7850 144208022 AC Ac Allyl chloride C=CCCl Tox21_200824 -NCGC00164168-02 196702578 tox21-ror-cho-viability-p1 set1 4 -0.50418251 -2.45826414 1.87865922 -0.094541 -1.02236391 0.58921415 8.47315694 5.09352064 5.84604473 -4.46328086 0.07226497 2.63258712 -0.00132239 -1.31618154 -3.09678493 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00255031-01 196714450 tox21-ror-cho-viability-p1 set2 4 0.59848188 -1.28029418 2.23282622 -0.25777961 0.85022395 0.59238183 3.3861545 -0.89140017 1.26303308 3.82663472 -0.31455519 4.46626137 4.513983 3.07065489 8.13156618 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 181274-15-7 12056759 144211449 A A Propoxycarbazone-sodium [Na+].O=C([N-]S(=O)(=O)c1ccccc1C(=O)OC)N2N=C(OCCC)N(C)C2=O Tox21_301132 -NCGC00254173-01 196714437 tox21-ror-cho-viability-p1 set2 4 -1.34496677 0.42296042 0.2346685 -1.26800101 0.22955708 0.65295089 0.03523368 -1.29145778 0.32202038 3.74075443 4.15804384 -1.20051925 -0.24366525 0.50327336 5.98587361 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139290-65-6 5311271 144210564 A A Volinanserin COc1cccc(c1OC)[C@H](O)C3CCN(CCc2ccc(F)cc2)CC3 Tox21_300244 -NCGC00091351-03 196714438 tox21-ror-cho-viability-p1 set2 4 0.34785164 -0.15621702 -0.2294566 0.20454323 -1.46475945 2.19785162 -2.16449744 1.92500253 0.36948136 0.07490325 2.02916289 0.32768216 -0.18570784 2.79903261 3.46661238 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00254954-01 196714440 tox21-ror-cho-viability-p1 set2 4 2.06195098 1.2122298 1.63304527 -0.27572439 1.10695297 -1.30187569 -0.17447414 -1.14604902 -0.96057053 -1.77743569 1.65061352 4.68060912 2.12746528 0.62622071 -1.36133262 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 74051-80-2 52923 144211369 A D Sethoxydim CCC\C(=N\OCC)C1=C(O)CC(CC(C)SCC)CC1=O Tox21_301052 -NCGC00091146-04 196713217 tox21-ror-cho-viability-p1 set2 4 61.130564862 -21.931812232 2.5 -19.431812232 3.2974983358 0.6699280862 0.0530487073 8.87523867 0.19165354 7.21899146 2.10248352 9.09469545 1.59770281 0.7537389 0.61420166 2.50591684 -0.77498621 1.8771678 -0.24503669 -0.76221475 -1.81635766 -14.94317686 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00090752-12 196712808 tox21-ror-cho-viability-p1 set2 -1.1 13.3331902297 -71.3440732058 -2.0096980239 -73.3537712297 3.5117481694 0.9549925884 0.0000047112 -0.62924287 2.31594221 3.18151825 -6.84890468 -0.27380125 -6.31399333 -6.52293104 -1.53622507 -4.38938659 3.04312925 -7.14240476 -3.1382335 -9.01017152 -71.91546199 -70.08093592 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 65646-68-6 5288209 170466359 A Fenretinide CC=2CCCC(C)(C)C=2/C=CC(\C)=C\C=C\C(\C)=C\C(=O)Nc1ccc(O)cc1 Tox21_111007_1 -NCGC00263573-01 196712812 tox21-ror-cho-viability-p1 set2 4 2.64432827 -0.0940762 -1.24988683 -0.09331831 -1.35238165 -0.14869104 3.07375939 -0.54525588 -1.69521517 -1.9498165 -1.90356712 -0.99900745 -1.62144985 1.19928507 0.9762198 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62288-83-9 16051969 170465177 A Desmopressin acetate CC(=O)O.NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]4CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N4 Tox21_112740_1 -NCGC00090851-10 196713207 tox21-ror-cho-viability-p1 set2 -2.2 13.3331902297 -34.00172178 -0.5 -34.50172178 0.9999999999 0.9187657931 0.0001121238 -1.36127713 -0.86409906 2.49906967 -0.92764995 -1.09040247 -0.53367994 1.95060363 0.47540509 -0.53962733 -5.33432596 -8.26611465 -7.67557561 -13.12087634 -16.18906605 -32.08476815 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 320-67-2 9444 170465076 Z 5-Azacitidine NC1=NC(=O)N(C=N1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O Tox21_111032_1 -NCGC00248312-02 196713627 tox21-ror-cho-viability-p1 set2 4 0.2984929481 -8.2026592001 9.5 1.2973407999 0.6 0.6519372286 0.0638235428 8.87912641 9.78518043 7.73997821 9.30896924 8.46603945 7.18553613 7.9081308 7.41434497 3.8831685 4.27607739 0.37552829 5.16376669 1.23485342 6.87599409 -2.252216 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104-20-1 61007 170466690 F A 4-(4-Methoxyphenyl)-2-butanone COc1ccc(CCC(C)=O)cc1 Tox21_113654 -NCGC00166144-03 196713631 tox21-ror-cho-viability-p1 set2 4 0.0237101377 5.870973256 -0.370973256 5.5 4.9549173134 0.6092258783 0.1053322037 0.52213732 -1.55914438 -0.33923836 -0.06115587 -0.50407492 4.89887292 6.06571614 5.54958842 7.7099996 0.72377237 7.30180344 5.72291929 0.7749857 8.56092217 0.56855655 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 502-54-5 3033877 170465212 Ac 2,3-Dihydroxypropyl octanoate OCC(O)COC(=O)CCCCCCC Tox21_112338_1 -NCGC00016637-10 196713633 tox21-ror-cho-viability-p1 set2 4 13.3331902297 -8.326722892 0 -8.326722892 4.4494702849 0.6718222223 0.0641400994 1.89189189 1.27431039 1.28721054 -0.70692036 0.71218264 -2.33029678 -1.98853291 -1.19218233 -0.06426064 -2.18479949 -0.21628245 1.49683164 0.39431542 -8.60560241 -3.03812258 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3736-81-0 19529 170466783 A Diloxanide furoate ClC(Cl)C(=O)N(C)c1ccc(cc1)OC(=O)c2ccco2 Tox21_113492_1 -NCGC00022019-03 196713635 tox21-ror-cho-viability-p1 set2 4 0.0094391758 -9.460419556 10.5 1.039580444 3.1319983358 0.713084533 0.0327583123 11.50000667 9.8755556 8.81722305 8.8383276 1.89147965 -1.65404174 2.50112502 2.08172697 -2.05034963 0.78330269 0.31674279 1.17790409 0.72307733 8.32993233 -1.91605992 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25122-57-0 71386 170465575 A Clobetasone butyrate ClCC(=O)[C@@]3(OC(=O)CCC)[C@@H](C)C[C@H]2[C@@H]4CCC1=CC(=O)C=C[C@]1(C)[C@@]4(F)C(=O)C[C@@]23C Tox21_112691_1 -NCGC00255323-01 196700562 tox21-ror-cho-viability-p1 set1 4 48.5577336745 10.6444599559 -0.6444599559 10 0.5 0.4555364925 0.2415076369 -0.27517228 1.06786647 -4.70371663 -0.79007772 -0.4423423 0.38496634 0.43889945 2.54239104 1.79972507 1.79634756 0.91589075 0.56321328 1.27000488 7.12244292 0.9238202 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1896-62-4 637759 144211915 A A Methyl trans-styryl ketone CC(=O)/C=C/c1ccccc1 Tox21_301598 -NCGC00255959-01 196700553 tox21-ror-cho-viability-p1 set1 4 0.1101234 -2.5339785 2.68494461 1.25351096 3.03299563 0.72724797 -5.32607136 1.5222835 1.83548117 7.29658926 1.84515136 -0.12409146 1.48524392 0.92550967 6.95516724 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 38260-54-7 37995 144211889 F A Etrimfos CCc1nc(OCC)cc(OP(=S)(OC)OC)n1 Tox21_301572 -NCGC00255299-01 196700975 tox21-ror-cho-viability-p1 set1 4 3.5641751 3.22317903 2.94361856 2.10642285 4.23862309 1.81637908 4.15027384 2.9769625 -0.31396196 -0.61642565 -0.7957918 2.67673308 -0.48194124 8.20948783 2.03191663 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26002-80-2 4767 144211887 A A Phenothrin C/C(C)=C/C3C(C(=O)OCc2cccc(Oc1ccccc1)c2)C3(C)C Tox21_301570 -NCGC00255189-01 196700591 tox21-ror-cho-viability-p1 set1 4 -1.20462021 -1.23933557 -3.79475674 -3.9458054 -4.04877741 -3.38112115 -4.40340325 1.7580322 -0.03531964 2.11202687 -6.68641293 -7.61481483 2.81503086 -3.83077152 -6.28818537 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14484-47-0 189821 144211732 A A Deflazacort CC(=O)OCC(=O)[C@@]54N=C(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_301415 -NCGC00163903-03 196700578 tox21-ror-cho-viability-p1 set1 4 45.8865670527 10.797594096 -1.797594096 9 3.9294729863 0.5564527322 0.131599232 -0.51455657 -4.82017247 -1.99687057 -4.37373965 -4.47034213 -1.43320912 0.01067132 4.00599304 -1.3812049 -0.14358003 -0.56529688 -0.03125502 -5.24799508 3.47553994 8.20929011 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00256171-01 196700580 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -9.948645888 2 -7.948645888 4.9549173134 0.5838167295 0.1118360252 2.44055859 0.78957024 2.79754073 -0.19164468 0.34001464 0.436074 0.34112243 2.3417993 1.85465758 2.00570964 5.06832815 3.74027826 0.63839313 4.45784935 -5.79053824 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 146653-56-7 11437710 144211539 A B 4-{2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl}benzonitrile FC(F)(F)c1cccc(c1)C(=O)Cc2ccc(C#N)cc2 Tox21_301222 -NCGC00255944-01 196700583 tox21-ror-cho-viability-p1 set1 4 2.13558713 1.31281994 0.29736007 -0.74879005 6.76023742 3.83839028 0.20494281 2.28630561 0.85354702 6.04155178 2.37400272 2.76841785 2.73087379 10.40133887 5.21642111 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 149-45-1 9001 144212465 A Ac Tiron [Na+].[Na+].Oc1c(O)cc(cc1S(=O)([O-])=O)S([O-])(=O)=O Tox21_302148 -NCGC00255597-01 196700592 tox21-ror-cho-viability-p1 set1 4 -1.18758448 -1.22625799 1.01693869 0.46566098 1.17793447 2.01914744 2.53634612 5.52917647 2.15522085 1.71072236 0.70076174 0.46016676 -0.94300411 6.00519365 -0.64583908 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 118-47-8 67045 144212537 A A Pyrazolone T O=S(=O)(O)c1ccc(cc1)N2N=C(CC2=O)C(=O)O Tox21_302220 -NCGC00255750-01 196700990 tox21-ror-cho-viability-p1 set1 4 0.216899429 -11.42405294 1.5 -9.92405294 0.8999999999 0.5433515012 0.1570002789 1.1890918 -0.31395245 3.70153374 -1.3528996 2.19394045 1.22917659 -8.32183997 -6.22496711 -3.66253196 -5.72462968 -16.40995688 -7.1318289 -1.67836147 -16.60337745 2.84097383 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 552-45-4 11093 144212477 A Ac 1-(Chloromethyl)-2-methylbenzene Cc1ccccc1CCl Tox21_302160 -NCGC00255534-01 196700993 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -14.1616986879 -1.5 -15.6616986879 3.9294729863 0.6443249738 0.0685916141 -2.20723111 -4.30062309 0.2346995 -0.56804287 0.50072288 0.09157121 -0.55674564 -3.55115379 -4.63985637 -5.1620941 0.06747994 0.32336658 -3.24460419 -2.65403763 -12.21808224 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-34-7 6805 144212227 A A Chlorfenac Clc1c(CC(=O)O)c(Cl)ccc1Cl Tox21_301910 -NCGC00090942-03 196701403 tox21-ror-cho-viability-p1 set1 -2.1 61.130564862 -96.5970486721 -2.7975313699 -99.394580042 3.9294729863 0.9930066774 1E-10 -5.47888649 -2.36198621 -1.24120591 -2.94292811 -2.04284071 -5.35020559 -0.87144591 -4.96519387 -4.86994457 -0.00914835 -2.06974144 -1.17022158 -3.03746733 -21.01391214 -82.87468185 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00257984-01 196701821 tox21-ror-cho-viability-p1 set1 4 9.55907023 -4.86590526 0.59965479 6.18169727 -1.91614729 4.37699802 6.07425833 -2.73571759 3.49891336 -2.26106471 -3.07413565 -6.37324161 3.79946722 -2.84322206 0.63481326 1.1679999999E-9 2.6109999999E-9 5.838E-9 1.305E-8 2.919E-8 6.5269999999E-8 1.459E-7 3.2629999999E-7 7.297E-7 0.0000016319999999 0.000003648 0.0000081579999999 0.000018239999999 0.000040789999999 0.000091209999999 97-30-3 64947 144207628 A Methyl alpha-D-glucopyranoside O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OC Tox21_200430 -NCGC00018221-08 196729238 tox21-ror-cho-viability-p1 set3 4 8.7404039877 11.1109294479 -1.6109294479 9.5 4.9549173134 0.7733755814 0.0133556778 1.64250728 1.586113 1.60278701 0.21646235 -4.48543386 -3.81292923 0.06218739 -4.67577454 -2.98669375 -2.82088467 -3.97914482 2.34484932 12.22632627 8.83887081 7.30246105 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00255145-01 196728813 tox21-ror-cho-viability-p1 set3 4 38.5707788719 -17.9431715399 3 -14.9431715399 1.24751 0.4843043183 0.1928104918 -5.28117548 -2.24435583 3.24872374 3.68841695 -0.90409088 5.97530473 7.65047374 4.86435537 6.72280369 5.93819818 5.36344168 -1.29489977 -7.04526082 -0.62363986 -12.45264295 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-34-0 9279 144212648 A C Propantheline bromide [Br-].CC(C)[N+](C)(CCOC(=O)C1c3ccccc3Oc2ccccc12)C(C)C Tox21_302331 -NCGC00257538-01 196728822 tox21-ror-cho-viability-p1 set3 4 2.35008989 7.29556048 3.66322362 -1.13850511 1.46390742 4.50479509 7.35683866 2.62248497 4.98208312 -1.16548757 3.89086728 0.1359946 2.9475571 4.61688424 5.03885176 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 75-64-9 6385 144211606 FNS tert-Butylamine CC(C)(C)N Tox21_301289 -NCGC00255473-01 196728832 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -42.263654648 3 -39.263654648 4.5044702849 0.9522887851 0.0000065241 0 1.610649 4.86906357 0.09411411 3.93129454 4.45663585 5.15977814 2.92312199 5.34423563 5.59458867 3.9878007 1.8814568 -0.10318967 -0.98949874 -31.05304554 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1715-40-8 15583 144212173 A A Bromociclen ClC2(Cl)C1(Cl)CC(CBr)C2(Cl)C(Cl)=C1Cl Tox21_301856 -NCGC00257658-01 196729660 tox21-ror-cho-viability-p1 set3 -1.1 28.1706053361 -74.1930821327 -5.397013702 -79.5900958347 4.9549173134 0.8840686987 0.0006661449 -30.99935092 -18.96550172 -6.64228184 -2.89867919 -2.5291886 -2.48980875 0.0349249 0.13782735 0.09565297 5.64597421 0.15947327 -3.4416777 -20.00908312 -78.32416281 -75.21966183 1.3329999999E-9 2.981E-9 6.667E-9 1.491E-8 3.3329999999E-8 7.4539999999E-8 1.6669999999E-7 3.7269999999E-7 8.333E-7 0.000001863 0.0000041669999999 0.0000093169999999 0.00002083 0.00004658 0.0001042 20562-02-1 6537493 144207302 A A alpha-Solanine O[C@@H]9[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]9O[C@H]8[C@@H](O)[C@@H](CO)O[C@@H](OC6CC[C@@]3(C)C(=CC[C@H]2[C@@H]4C[C@@H]1N5C[C@@H](C)CC[C@@H]5[C@@H](C)[C@@H]1[C@@]4(C)CC[C@@H]23)C6)[C@@H]8O[C@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O Tox21_200104 -NCGC00091380-04 196729245 tox21-ror-cho-viability-p1 set3 4 0.78304284 -0.68667112 0.67183367 0.91220384 3.18710981 0.00961702 0.48744133 2.22866538 -2.69172708 4.1700248 4.09980205 0.57931277 -4.50670309 0.02249818 -0.19712498 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00257884-01 196729655 tox21-ror-cho-viability-p1 set3 4 13.6158713715 -7.1814841479 0.5 -6.6814841479 0.9999999999 0.5456509684 0.1414588849 -2.60315991 1.9468393 1.92141789 -0.04446565 1.36051635 2.50454651 1.8511004 -2.7466981 0.53484762 1.79239459 -2.69686511 -3.51810995 -0.45916807 -7.65123679 -4.70854043 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.468E-7 3.284E-7 7.3419999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.000018359999999 0.00004104 0.000091779999999 556-08-1 19266 144207528 A A 4-Acetamidobenzoic acid O=C(C)Nc1ccc(cc1)C(=O)O Tox21_200330 -NCGC00258630-01 196729657 tox21-ror-cho-viability-p1 set3 4 -4.09101857 -0.36963776 -1.94190147 -1.65504648 -2.08515711 -0.57479994 0.32042455 0.48528478 2.93121177 -0.76534657 -0.49227319 2.07908583 1.2451599 0.88931515 3.29417286 1.1299999999E-9 2.5259999999E-9 5.648E-9 1.263E-8 2.824E-8 6.3149999999E-8 1.412E-7 3.1569999999E-7 7.0599999999E-7 0.0000015789999999 0.0000035299999999 0.000007894 0.00001765 0.00003947 0.000088249999999 147-47-7 8981 144208275 A Ac 1,2-Dihydro-2,2,4-trimethylquinoline CC2=CC(C)(C)Nc1ccccc12 Tox21_201077 -NCGC00257706-01 196729662 tox21-ror-cho-viability-p1 set3 4 0.0012246784 13.4911656199 -14.9911656199 -1.5 1.331 0.5455284773 0.1418447822 -10.82597135 -1.55610724 -3.33690515 -4.8624608 0.52674127 -0.91410779 -0.09717186 -3.27284585 0.28002469 0.32401544 -3.17175327 -2.50894888 -3.92879798 -1.25610903 -1.13791872 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 105-36-2 7748 144207350 FNS Ethyl bromoacetate BrCC(=O)OCC Tox21_200152 -NCGC00257721-01 196730062 tox21-ror-cho-viability-p1 set3 4 -0.98567439 0.29435492 -0.39434728 0.7419485 1.28098096 -0.74421982 -1.03789706 0.93607928 0.25333406 0 1.074886 -0.16059771 -2.54988297 -1.72000127 2.24187596 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.4729999999E-7 3.295E-7 7.367E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.000041179999999 0.00009209 99-50-3 72 144207365 A A 3,4-Dihydroxybenzoic acid Oc1ccc(cc1O)C(=O)O Tox21_200167 -NCGC00091261-03 196730064 tox21-ror-cho-viability-p1 set3 4 48.5577336745 -14.05573468 -1 -15.05573468 3.0654483358 0.5127937724 0.1678431041 0.44937268 -6.83307789 0.79138858 -10.07244099 -1.25483506 -0.80719889 1.0717651 -0.56034924 -1.30604121 -0.01353114 1.86625197 -0.9305115 1.7569439 -7.03741989 -13.3797789 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00259195-01 196708378 tox21-ror-cho-viability-p1 set2 4 3.04637945 0.06798907 0.08419898 0.40810926 0.45916236 1.91195358 1.36338708 1.23913441 0.25218315 3.15427865 1.1411382 4.54841784 4.80470687 3.88194142 1.35519922 1.188E-9 2.656E-9 5.9389999999E-9 1.3279999999E-8 2.9699999999E-8 6.64E-8 1.4849999999E-7 3.32E-7 7.4239999999E-7 0.0000016599999999 0.000003712 0.0000083 0.00001856 0.0000415 0.000092799999999 77-86-1 6503 144208844 A A Tromethamine OCC(N)(CO)CO Tox21_201646 -NCGC00256439-01 196707971 tox21-ror-cho-viability-p1 set1 4 -1.59717189 -3.32694487 -2.92871446 -3.39586686 -6.31278595 -2.38942404 0.70146296 0.34081149 -6.65062757 -2.8196386 -1.21336098 -0.36469908 0.58245214 -2.48488931 -1.99721235 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-00-6 6997 144213202 A A 2-Ethylphenol CCc1ccccc1O Tox21_302885 -NCGC00091663-03 196708369 tox21-ror-cho-viability-p1 set1 4 2.2536113 0.28155099 1.11213481 1.53787582 0.94946954 0.12470531 -2.00364716 0.37977612 4.19370509 0.22936089 -1.14258979 -1.29053334 -0.15498898 3.99097973 1.80794367 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00256400-01 196708370 tox21-ror-cho-viability-p1 set1 4 -10.80286841 -10.13036592 -14.66464491 -16.45018766 -12.98200913 -5.74826139 -16.92005256 -19.17136979 -18.43137284 -13.14257857 -11.13652081 -8.14380748 -8.94268645 -12.23449478 -9.58438345 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-04-1 8870 144213186 A C Aniline hydrochloride Cl.Nc1ccccc1 Tox21_302869 -NCGC00258791-01 196708381 tox21-ror-cho-viability-p1 set2 4 24.4107820745 12.2288494039 -0.2288494039 12 4.9549173134 0.819121712 0.0052460111 -1.02309469 -1.89268238 0.67033754 -1.73185592 -0.88807677 -0.2255731 -3.52404117 -0.20422382 2.37158735 3.26169833 0.77803387 2.02262385 0.78357909 13.14524983 10.27946459 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3079999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.000008269 0.000018489999999 0.00004135 0.00009245 599-79-1 5359476 144208437 A A Sulfasalazine O=S(=O)(Nc1ccccn1)c3ccc(/N=N/c2cc(C(=O)O)c(O)cc2)cc3 Tox21_201239 -NCGC00258971-01 196708383 tox21-ror-cho-viability-p1 set2 4 2.67401014 3.92951839 4.18554443 1.9331769 2.37125925 2.17665811 -0.1694689 0.10406898 0.00024177 -0.71069458 -0.29906982 -1.38864947 -0.02780269 0.10048017 3.97337404 1.208E-9 2.7E-9 6.038E-9 1.3499999999E-8 3.019E-8 6.751E-8 1.51E-7 3.376E-7 7.548E-7 0.0000016879999999 0.0000037739999999 0.000008439 0.00001887 0.000042189999999 0.000094349999999 59-67-6 938 144208618 A A Nicotinic acid O=C(O)c1cccnc1 Tox21_201420 -NCGC00025200-02 196704234 tox21-ror-cho-viability-p1 set1 4 0.44824719 -3.63623796 -0.12741453 0.57584229 -0.15807222 -2.85706637 -0.62068256 0.6742461 -3.14511408 0.38536568 0.07504685 -0.00196633 -0.28271529 -0.11296979 -3.05870507 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 39731-05-0 193949 170466622 A SDZ 21009 CC(C)(C)NCC(O)COc2cccc1nc(cc12)C(=O)OC(C)C Tox21_113583_1 -NCGC00357238-01 196703409 tox21-ror-cho-viability-p1 set1 4 -7.2411726 -1.88187365 1.76886849 -4.89978594 -5.07138382 -0.18179831 -4.64258129 1.66037819 -1.33888744 -2.86048887 1.40447267 -3.63950874 -4.13532218 -2.37164545 -0.10074626 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 99129-21-2 6444391 251919717 Clethodim CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)SCC)CC1=O Tox21_304029 -NCGC00260443-01 196703415 tox21-ror-cho-viability-p1 set1 4 -1.47955305 1.76081668 5.01084429 4.1788078 -8.20142006 1.28437016 -0.68583887 5.13664941 2.36718002 -0.75493371 3.21472877 5.57509509 1.83867483 0.8818905 0.74979365 1.202E-9 2.688E-9 6.0119999999E-9 1.344E-8 3.006E-8 6.721E-8 1.503E-7 3.361E-7 7.5139999999E-7 0.0000016799999999 0.0000037569999999 0.000008401 0.000018789999999 0.00004201 0.00009393 2206-89-5 16627 144210095 A 2-Chloroethyl acrylate C=CC(=O)OCCCl Tox21_202897 -NCGC00357067-01 196703422 tox21-ror-cho-viability-p1 set1 4 0.33159432 -9.28911994 -12.19433899 -14.1541575 -4.68405178 -12.25626054 0.29374621 0.00569304 -10.17999555 -10.51422122 -3.79640495 0.15761845 -14.65734806 -5.02231333 0.06088721 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 873-32-5 13391 251919961 A 2-Chlorobenzonitrile N#Cc1ccccc1Cl Tox21_303775 -NCGC00160611-03 196704672 tox21-ror-cho-viability-p1 set1 4 -1.71717145 -2.29296874 0.83225888 -1.91283138 -2.02837221 -0.97087878 1.44403942 4.83377427 1.26661923 0.52906404 -5.42973729 1.97450032 1.47319903 0.02577009 -2.17834462 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2687-91-4 17595 170465488 A 1-Ethyl-2-pyrrolidinone O=C1CCCN1CC Tox21_111935_1 -NCGC00015931-07 196704673 tox21-ror-cho-viability-p1 set1 4 0.54819588 0.71621167 2.02713258 4.342126 1.7439053 1.96192873 1.06372745 0.54722831 0.19817247 0.72845949 -0.27180843 0.0984067 0.37859329 0.85164336 0.76029313 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77145-61-0 131746 170466744 A SR 57227A hydrochloride Cl.Clc1nc(ccc1)N2CCC(N)CC2 Tox21_110263_1 -NCGC00013289-09 196705069 tox21-ror-cho-viability-p1 set1 4 0.54321774 -0.97287033 0.6578229 1.59547008 1.14009094 0.22948394 0.97905439 -3.43645148 0.28759323 -0.34634633 1.14847399 1.53832717 0.63045681 -2.95410268 -0.75310795 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 511-45-5 4904 170465865 A Pridinol OC(CCN1CCCCC1)(c2ccccc2)c3ccccc3 Tox21_110022_1 -NCGC00183270-01 196705070 tox21-ror-cho-viability-p1 set1 4 -6.25639855 -3.88425483 -1.11285674 -2.20697486 -0.98191745 -1.36432709 0.39727072 -1.90247311 0.71158153 -2.85523849 -2.92310681 -0.71248341 -1.54385594 -3.08371952 3.57146709 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62476-59-9 44072 144206456 A A Acifluorfen-sodium [Na+].Clc2cc(ccc2Oc1cc(C([O-])=O)c(cc1)[N+]([O-])=O)C(F)(F)F Tox21_112903 -NCGC00258734-01 196716527 tox21-ror-cho-viability-p1 set2 4 48.3602777053 -23.3061475239 1.5 -21.8061475239 2.7202212143 0.881413684 0.0007506576 3.83408736 1.12630116 0.136662 1.82865936 0.92292304 4.97105985 -0.0688913 2.54919989 2.81684269 -0.09298358 -3.7064809 1.98492988 0.92847187 -7.38887744 -18.58845627 1.1759999999E-9 2.631E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.576E-8 1.471E-7 3.288E-7 7.3529999999E-7 0.0000016439999999 0.000003676 0.00000822 0.000018379999999 0.0000411 0.000091909999999 79-94-7 6618 144208380 A A 3,3',5,5'-Tetrabromobisphenol A Brc1cc(cc(Br)c1O)C(C)(C)c2cc(Br)c(O)c(Br)c2 Tox21_201182 -NCGC00257603-01 196716513 tox21-ror-cho-viability-p1 set2 4 -1.05802257 -0.99800235 -1.44992154 0.49694982 -1.58045878 -3.58883774 -3.83908318 -1.14906785 -3.57979413 1.35881913 1.81163581 -0.44455509 -3.2638615 -0.48279205 -1.0339011 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.000018429999999 0.0000412 0.000092129999999 86-86-2 6861 144207247 A A 1-Naphthaleneacetamide NC(=O)Cc2cccc1ccccc12 Tox21_200049 -NCGC00258582-01 196716518 tox21-ror-cho-viability-p1 set2 4 4.28686991 0.1420471 0.1939233 -5.20604747 0.98301818 2.42340486 0.37619603 0.86592325 3.27912921 -2.95533072 4.94226481 1.33939755 0.11776007 0.1585629 1.31601963 1.172E-9 2.621E-9 5.862E-9 1.311E-8 2.931E-8 6.554E-8 1.465E-7 3.277E-7 7.327E-7 0.0000016379999999 0.000003664 0.000008192 0.00001832 0.00004096 0.00009159 123-62-6 31263 144208227 A A Propanoic anhydride CCC(=O)OC(=O)CC Tox21_201029 -NCGC00257557-01 196716524 tox21-ror-cho-viability-p1 set2 4 0.58314967 -0.54373381 -3.40443172 -1.97177474 -4.99214856 -1.09297175 -5.92508757 3.42874534 -6.50325353 0.44465205 -6.09115149 -5.82919176 2.13684422 0.93620075 3.6719517 1.121E-9 2.507E-9 5.6069999999E-9 1.254E-8 2.8029999999E-8 6.2689999999E-8 1.402E-7 3.134E-7 7.0089999999E-7 0.0000015669999999 0.000003504 0.000007836 0.000017519999999 0.00003918 0.00008761 156-59-2 643833 144207201 FC (Z)-1,2-Dichloroethylene Cl\C=C/Cl Tox21_200003 -NCGC00255068-01 196714050 tox21-ror-cho-viability-p1 set2 4 30.6378586933 -7.449419072 1.5 -5.949419072 3.0654483358 0.7009177744 0.0388051036 0.29932005 0.30633841 5.15435689 -0.22399416 3.48572553 1.89414482 1.12686555 -0.23439395 1.68306662 3.77896762 1.2148881 1.26977118 0.06264212 -3.82157263 -5.79118256 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17804-35-2 28780 144211487 Fc Fns Benomyl O=C(OC)Nc2nc1ccccc1n2C(=O)NCCCC Tox21_301170 -NCGC00016640-06 196713645 tox21-ror-cho-viability-p1 set2 4 -5.0150776 -6.44418827 -6.16592259 -6.22807938 -3.85005616 -2.9759845 -5.07334983 -5.33603712 1.05890345 1.85406657 -0.70357914 -4.15915232 1.45805639 2.10646973 2.04187642 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3778-76-5 19604 170465782 A Todralazine hydrochloride Cl.O=C(OCC)NNc2nncc1ccccc12 Tox21_113562_1 -NCGC00090698-04 196714038 tox21-ror-cho-viability-p1 set2 4 -1.18809701 0.40883252 0.81115289 -0.03984481 -2.02342563 0.09503854 0.08798933 1.39649961 0.21252885 5.85828126 0.03590883 3.68470657 0.788477 0.0274294 3.07105444 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00254942-01 196714040 tox21-ror-cho-viability-p1 set2 4 0.32192837 -5.7382752319 2 -3.7382752319 3.0654483358 0.6415456359 0.0824632316 1.58479316 0.42584846 4.2760956 2.15291369 0.81266491 4.11720429 0.47810505 0.73861805 -5.86278523 -2.85555434 -6.86522936 -0.85826163 -0.29156395 -5.19244979 1.39057323 1.015E-9 2.269E-9 5.073E-9 1.134E-8 2.536E-8 5.6719999999E-8 1.268E-7 2.836E-7 6.341E-7 0.0000014179999999 0.000003171 0.000007089 0.00001585 0.00003545 0.00007926 76578-14-8 53518 144211357 A A Quizalofop-ethyl O=C(OCC)C(C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2 Tox21_301040 -NCGC00255081-01 196714052 tox21-ror-cho-viability-p1 set2 4 -3.14931517 0.16408413 -3.17424501 -0.23532142 0.06993246 -1.89568262 0.09803142 0.74380772 -1.55546419 0.58296385 1.08424905 1.77456474 1.85754209 0.57037238 1.02419513 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21282-97-3 88855 144211500 A A 2-[Methacryloyloxy]ethyl acetoacetate O=C(CC(C)=O)OCCOC(=O)C(=C)C Tox21_301183 -NCGC00254798-01 196714055 tox21-ror-cho-viability-p1 set2 4 0.20337958 -0.10939766 1.31149382 0.39298484 0.51536081 1.98504669 0.20856531 1.49056576 0.89765007 3.32929476 0.10175135 2.81241158 1.47085519 2.02086095 -6.28969466 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-40-5 5338 144211211 A A Sulfaquinoxaline Nc1ccc(cc1)S(=O)(=O)Nc2cnc3ccccc3n2 Tox21_300894 -NCGC00254632-01 196714454 tox21-ror-cho-viability-p1 set2 4 0.5852894751 8.9442486959 -1.9442486959 7 4.9549173134 0.7480957376 0.0261535004 4.22402517 -0.97138114 -1.42513545 -4.95354058 -2.47114871 -2.48397128 -3.95627384 -2.02173134 4.59318898 4.82966434 4.35168484 9.11786957 10.2765259 5.97922834 1.06057593 1.1379999999E-9 2.544E-9 5.689E-9 1.2719999999E-8 2.8449999999E-8 6.361E-8 1.422E-7 3.18E-7 7.112E-7 0.00000159 0.000003556 0.0000079509999999 0.00001778 0.00003975 0.00008889 144550-36-7 16760189 144211043 A B Iodosulfuron-methyl-sodium [Na+].Cc2nc(NC(=O)[N-]S(=O)(=O)c1cc(I)ccc1C(=O)OC)nc(OC)n2 Tox21_300726 -NCGC00254271-01 196714472 tox21-ror-cho-viability-p1 set2 4 -0.31638626 -2.45349207 1.98862023 -1.05474391 -0.80742704 -9.54930835 -9.82179269 -6.79828302 -1.99117974 -4.32523989 -3.85856567 -9.57727579 -0.77375972 3.05081066 -6.71032381 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-59-8 7943 144210693 A Ac Dimethyl malonate O=C(OC)CC(=O)OC Tox21_300375 -NCGC00091902-08 196714474 tox21-ror-cho-viability-p1 set2 4 2.96341361 -1.27541525 -0.77403229 -0.90554675 -0.44236149 0.03163331 2.52440319 0.92819033 0.51147845 3.59412229 1.24441946 2.10820991 3.1368768 0.72543733 0.89976452 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00257810-01 196702623 tox21-ror-cho-viability-p1 set1 4 2.28927967 0.75307626 0.39590203 6.10592562 0.42867616 1.08526301 5.10547532 1.75871523 1.61672052 2.98382069 3.92441298 2.15309615 6.06688277 7.29760067 6.32520565 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.968E-8 6.6359999999E-8 1.484E-7 3.318E-7 7.4189999999E-7 0.000001659 0.0000037099999999 0.000008295 0.00001855 0.000041479999999 0.00009274 10102-45-1 24937 144207454 Thallium nitrate [Tl+].[O-][N+]([O-])=O Tox21_200256 -NCGC00258756-01 196702230 tox21-ror-cho-viability-p1 set1 4 13.9642461407 -16.125353848 3 -13.125353848 1.6266150999 0.8010773657 0.0078151043 5.75105256 0.458284 2.15483238 3.41793903 0.05586337 7.30124144 4.58699725 2.26677521 1.95906944 3.09596139 -0.47490532 1.74761553 -11.37500758 -7.05581713 -12.60446154 1.1999999999E-9 2.684E-9 6.001E-9 1.3419999999E-8 3.0009999999E-8 6.71E-8 1.5E-7 3.355E-7 7.5019999999E-7 0.000001677 0.0000037509999999 0.000008387 0.00001875 0.000041939999999 0.000093769999999 52806-53-8 91649 144208402 A A Hydroxyflutamide O=C(Nc1cc(c(cc1)[N+]([O-])=O)C(F)(F)F)C(C)(C)O Tox21_201204 -NCGC00258729-01 196702644 tox21-ror-cho-viability-p1 set1 4 -0.25152504 -0.6339665 4.79391013 8.05165112 2.04880145 5.79294004 8.66456224 5.32138368 2.48479816 6.28622023 2.07920849 2.41123505 3.09163622 1.90874668 5.56176356 1.211E-9 2.709E-9 6.056E-9 1.3539999999E-8 3.028E-8 6.771E-8 1.514E-7 3.386E-7 7.5709999999E-7 0.000001693 0.0000037849999999 0.000008464 0.00001893 0.00004232 0.00009463 25584-83-2 61249 144208375 D Hydroxypropyl acrylate C=CC(=O)OCC(C)O Tox21_201177 -NCGC00254556-01 196714973 tox21-ror-cho-viability-p1 set2 4 -0.54008293 0.14232851 1.39047739 0.20963442 0.43839018 3.86403225 -0.27282386 1.57951716 0.83016847 0.28541823 3.39410954 1.34673745 2.33452466 0.62505357 -1.51438204 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1081-34-1 65067 144210965 A Ac alpha-Terthiophene c1csc(c1)c2ccc(s2)c3cccs3 Tox21_300648 -NCGC00254069-01 196714568 tox21-ror-cho-viability-p1 set2 1.2 8.6349217992 48.9643585358 2.8822360599 51.8465945957 2.3331733767 0.9528131923 0.0000153647 2.24834065 2.02380471 4.0156057 2.48725245 -0.62839883 2.79459941 0.54378742 1.65385649 4.66587338 10.10896005 8.08645323 21.11587398 53.00845461 45.83003009 14.66744384 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47311 53257735 144210535 A A GSK163929B CNS(=O)(=O)c1cc(c(Cl)cc1F)C(=O)N2CCC(CC2)(CCN6C3CCC6CC(C3)n4c5ccccc5nc4C)c7cccc(F)c7 Tox21_300215 -NCGC00255023-01 196714575 tox21-ror-cho-viability-p1 set2 4 -0.24887591 0.37773796 1.18164772 0.15823315 -0.84506338 1.83303489 1.09726838 0.36893022 1.06234761 2.01009957 1.07114791 2.98341838 3.03630556 2.66534912 3.48155471 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2235-00-9 75227 144211441 F 1-Ethenylazepan-2-one C=CN1CCCCCC1=O Tox21_301124 -NCGC00254339-01 196714577 tox21-ror-cho-viability-p1 set2 -1.1 12.1971512362 -74.5494504458 -4.993270155 -79.5427206008 1.4641 0.9867438218 4.3E-9 -1.14107751 -3.94572337 -5.9850171 -3.20007639 -6.11425039 -6.22138137 -7.35227219 -9.84338197 -7.14601456 -7.92219874 -15.40349086 -27.52357547 -57.10444177 -72.38084894 -71.28788547 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 643-79-8 4807 144210722 CC D 1,2-Benzenedicarboxaldehyde O=Cc1ccccc1C=O Tox21_300404 -NCGC00254757-01 196714997 tox21-ror-cho-viability-p1 set2 4 -1.40866357 0.14161894 0.39001588 -1.74714911 -0.21650417 0.06854402 1.83172041 0.31799244 1.84727322 0.08901437 4.16327428 -10.27143456 2.38178059 1.91998459 1.96207387 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63-25-2 6129 144211171 A A Carbaryl CNC(=O)Oc2cccc1ccccc12 Tox21_300854 -NCGC00094532-06 196715390 tox21-ror-cho-viability-p1 set2 4 87.8441774357 -13.746873936 -1 -14.746873936 0.8999999999 0.4341774056 0.2416688002 0.80258758 0.35370379 -1.01793368 -1.4761976 -2.00662059 -0.02198167 -3.83200422 -0.68436023 -1.22191019 -0.2316281 -8.78853995 -1.05866295 -1.66342987 -2.68716141 -11.45572828 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00257595-01 196715394 tox21-ror-cho-viability-p1 set2 4 -3.36665611 -2.79082828 -1.10494951 -5.45005878 -0.2808972 -0.7925004 -4.5714977 0.57987611 -1.84839951 -0.95855099 0.3951167 -5.91006479 -3.71108268 0.18326498 1.88130342 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.551E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.000003662 0.0000081889999999 0.00001831 0.00004095 0.00009156 78-93-3 6569 144207239 FNS Methyl ethyl ketone CC(=O)CC Tox21_200041 -NCGC00257906-01 196715400 tox21-ror-cho-viability-p1 set2 -1.1 17.3867426357 -74.8074551545 -1.292625261 -76.1000804155 3.5722481694 0.9823004415 2.34E-8 1.0033049 -2.18349943 -1.90300707 -2.02672983 1.81506704 -3.55611115 -2.13899539 -4.64964885 0.00268427 1.63326722 -2.48117933 -10.87554237 -39.35003285 -81.11118557 -70.2480595 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.000092909999999 70-34-8 6264 144207550 A B 1-Fluoro-2,4-dinitrobenzene Fc1ccc(cc1[N+](=O)[O-])[N+]([O-])=O Tox21_200352 -NCGC00257773-01 196715812 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -110.4498630477 0.5666849779 -109.8831780698 4.9549173134 0.9875419559 3E-9 0.59072133 0.17955733 4.98139341 -0.41121248 4.99723309 1.28144062 -0.08321438 0.0369944 0.66591334 0.72715584 1.18453711 -0.82750017 -6.71633894 -7.30021673 -89.33591713 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 538-71-6 10866 144207417 A A Domiphen bromide [Br-].CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 Tox21_200219 -NCGC00258023-01 196715814 tox21-ror-cho-viability-p1 set2 4 3.06134658 2.12921188 1.19025491 5.47977705 1.42700106 5.47204802 -2.51368079 4.89920614 3.48143795 0.38406326 3.88646074 4.79979415 6.72223676 -2.04599536 10.67166068 1.1859999999E-9 2.651E-9 5.928E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009262 92-88-6 7112 144207667 A A 4,4'-Biphenyldiol Oc1ccc(cc1)c2ccc(O)cc2 Tox21_200469 -NCGC00258658-01 196715818 tox21-ror-cho-viability-p1 set2 4 6.16394916 4.31491447 5.08194996 4.64817723 2.4820803 4.26187995 0.47113332 6.82761541 3.57299954 4.50662787 0.80461708 5.37711612 2.94901428 2.98426396 3.44030341 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.6299999999E-8 1.4829999999E-7 3.315E-7 7.4129999999E-7 0.0000016579999999 0.0000037059999999 0.000008288 0.00001853 0.000041439999999 0.00009266 6138-23-4 181978 144208304 A Trehalose dihydrate O.O.O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O Tox21_201106 -NCGC00247686-01 196717895 tox21-ror-cho-viability-p1 set2 4 -6.60134826 -10.01377779 -5.56573907 -7.65040609 0.80964904 -2.43189936 2.74714774 2.45815988 -3.77452766 -13.98800749 -13.56829026 -2.68575832 -6.05546386 -6.52897288 -2.58218606 1.309E-9 2.928E-9 6.547E-9 1.4639999999E-8 3.2739999999E-8 7.32E-8 1.637E-7 3.6599999999E-7 8.184E-7 0.00000183 0.0000040919999999 0.00000915 0.00002046 0.00004575 0.00010229999999 90736-23-5 62300 144206389 A A N-(4-Fluorophenyl)-N-[1-(2-phenylethyl)-4-piperidyl] propanamide Fc1ccc(cc1)N(C3CCN(CCc2ccccc2)CC3)C(=O)CC Tox21_112836 -NCGC00257281-01 196719397 tox21-ror-cho-viability-p1 set2 4 -2.19128842 -2.22017048 0.85139958 -2.72576112 -5.53893395 -2.94225048 -5.3348761 -0.16945614 1.1826441 -6.466264 1.50415788 -2.42452089 -4.53845474 -0.04157612 -3.50150535 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7659-86-1 24309 144213795 F A 2-Ethylhexyl sulfanylacetate CCC(CCCC)COC(=O)CS Tox21_303486 -NCGC00256459-01 196718960 tox21-ror-cho-viability-p1 set2 4 0.26850484 -1.24332632 2.21784273 1.75875194 2.2929966 0.24617927 -1.49570735 2.64873237 0.38204464 -2.27346545 3.06975992 6.71854998 1.46015358 5.38954695 0.54768454 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 132-98-9 23676814 144213231 A B Penicillin VK [K+].O=C([O-])[C@@H]2N3C(=O)[C@@H](NC(=O)COc1ccccc1)[C@H]3SC2(C)C Tox21_302914 -NCGC00091483-03 196718972 tox21-ror-cho-viability-p1 set2 4 -5.61171518 -1.59358846 -5.21925922 -3.55051178 -3.62113937 -7.66482225 -0.7745834 -1.4527529 -9.26141301 -1.57938908 -0.6308157 0.55245344 -3.23882821 -4.76480196 -14.74004904 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00091351-03 196718975 tox21-ror-cho-viability-p1 set2 4 0.73287356 3.98905604 2.68986766 1.56594508 -0.0174042 3.52263138 1.04031081 5.61233438 6.03643362 -1.61539136 3.81731389 2.06731107 -1.52265296 2.41892651 2.83416551 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00257524-01 196714817 tox21-ror-cho-viability-p1 set2 4 -4.88540766 -5.43866856 -3.39638495 -7.59131799 -2.13843596 -4.85678589 -4.08690139 -8.40582789 -6.29069556 -1.83816996 -9.09212848 -9.46667008 -5.64211646 -1.90954418 -1.99582176 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2113-61-3 5284341 144211290 A B 4-Biphenylamine hydrochloride Cl.Nc1ccc(cc1)c2ccccc2 Tox21_300973 -NCGC00254673-01 196714409 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -16.4893944439 1.5 -14.9893944439 4.9549173134 0.8413953408 0.002955621 1.56647388 0.41188498 4.68360892 4.03779635 -0.35264997 0.77278025 0.30999574 1.67055565 2.57941226 -0.25500839 2.52766035 2.89299156 -0.01546714 0.72859683 -12.07449537 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-72-4 2871 144211086 A A Coumaphos CCOP(=S)(OCC)Oc1ccc2c(c1)OC(=O)C(Cl)=C2C Tox21_300769 -NCGC00090965-04 196714421 tox21-ror-cho-viability-p1 set2 4 27.3060203028 -11.818213812 1 -10.818213812 4.9549173134 0.7625167916 0.0215153248 1.38941962 1.15206475 0.83498459 2.01546335 -0.34642551 0.85892856 2.9133446 0.34591429 -1.3163695 2.54009291 -2.78226885 2.97079188 -0.47101772 -9.84851151 -2.83585393 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00254662-01 196714818 tox21-ror-cho-viability-p1 set2 4 -0.14640731 1.36691004 3.57187045 0.47343327 -1.38218926 0.93414279 -0.36428242 0.38257755 0.8913883 0.97520977 -0.24796124 -8.41592259 0.82913087 -0.67495449 0.02057257 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10238-21-8 3488 144211075 A A Glybenclamide O=C(NC1CCCCC1)NS(=O)(=O)c3ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc3 Tox21_300758 -NCGC00254391-01 196714824 tox21-ror-cho-viability-p1 set2 4 0.0013165484 12.342791524 -10.842791524 1.5 4.9549173134 0.8043486553 0.0075105957 -8.20232627 1.3453316 0.35167849 1.1365373 1.15854161 1.47239242 3.11562832 -0.20739814 1.80574679 2.51299093 -1.06420345 1.19794673 3.64580884 2.76051244 1.40148134 1.038E-9 2.321E-9 5.191E-9 1.161E-8 2.595E-8 5.803E-8 1.2979999999E-7 2.902E-7 6.488E-7 0.000001451 0.000003244 0.0000072539999999 0.000016219999999 0.00003627 0.00008111 NOCAS_47349 53316398 144210789 A A AVE8488 Cl.O.Fc1ccc(cc1)[C@H]5CN(C)CCN5Cc2cc(co2)c3ccc4nc(O)oc4c3 Tox21_300471 -NCGC00090789-02 196714825 tox21-ror-cho-viability-p1 set2 4 0.97090191 -0.12838409 0.90614948 2.15522106 0.85781802 -0.02744613 1.61512751 1.21433499 0.58463724 0.86318658 0.12208907 4.07948177 6.03330909 3.08954142 0.35331722 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00254500-01 196714837 tox21-ror-cho-viability-p1 set2 4 -0.60853676 -0.30644376 2.21394252 -0.15867757 0.08483793 2.45420783 2.67355812 0.88025915 0.58227398 1.87197539 0.56428975 1.8350108 6.61461492 1.25415058 3.50213079 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 136-60-7 8698 144210828 A Ac Butyl benzoate O=C(OCCCC)c1ccccc1 Tox21_300510 -NCGC00254229-01 196714842 tox21-ror-cho-viability-p1 set2 -3 62.0177042878 -62.268475386 -0.288216822 -62.556692208 4.9549173134 0.9903047289 7E-10 0.5206488 -0.39447802 -1.68638944 -3.52032167 -2.0345312 -0.90719245 0.13591214 0.25607526 0.85304742 0.31545555 -0.19831657 -1.05468097 -0.63945284 -3.16456885 -52.0291208 1.085E-9 2.427E-9 5.427E-9 1.213E-8 2.713E-8 6.067E-8 1.3569999999E-7 3.034E-7 6.783E-7 0.0000015169999999 0.000003392 0.0000075839999999 0.00001696 0.00003792 0.00008479 200940-23-4 15981450 144210536 A A SB243213A Cl.Cc4ncccc4Oc1ccc(cn1)NC(=O)N3CCc2cc(C)c(cc23)C(F)(F)F Tox21_300216 -NCGC00257784-01 196730389 tox21-ror-cho-viability-p1 set3 4 3.44025039 2.6058232 4.4814589 0.32908855 -0.40050354 -0.59168264 1.84085752 -1.29164326 -2.22308392 1.94133602 -0.27800059 1.54901641 2.98918344 2.89797101 4.42699138 1.224E-9 2.7369999999E-9 6.1199999999E-9 1.3679999999E-8 3.0599999999E-8 6.8419999999E-8 1.5299999999E-7 3.421E-7 7.649E-7 0.00000171 0.000003825 0.0000085519999999 0.00001912 0.00004276 0.00009562 1453-82-3 15074 144207428 A A Isonicotinamide NC(=O)c1ccncc1 Tox21_200230 -NCGC00091643-08 196705109 tox21-ror-cho-viability-p1 set1 4 30.6378586933 -15.0010971399 0 -15.0010971399 0.6999999999 0.7306702047 0.0261557975 0.25875037 -0.40346717 2.38246206 -4.18318862 0.18460789 0.44690274 0.15886244 1.55858316 0.11862168 -4.26114127 -3.69785283 -3.31106659 -8.08086731 -4.65852452 -11.66758095 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00247680-01 196704694 tox21-ror-cho-viability-p1 set1 4 1.84479568 1.72426801 -2.28313443 -0.25273935 -2.08645323 1.91079585 -3.64285064 -4.25347186 -2.60878133 -1.15791 -4.57277381 1.54850989 -1.92593662 -4.05770086 -2.0240616 1.529E-9 3.419E-9 7.645E-9 1.709E-8 3.8219999999E-8 8.547E-8 1.9109999999E-7 4.2729999999E-7 9.556E-7 0.000002137 0.0000047779999999 0.00001068 0.00002389 0.00005342 0.0001194 2922-44-3 92942 144206382 A A Dextromoramide tartrate O=C(O)[C@H](O)[C@@H](O)C(=O)O.C[C@H](CN1CCOCC1)C(c2ccccc2)(c3ccccc3)C(=O)N4CCCC4 Tox21_112829 -NCGC00016902-04 196705107 tox21-ror-cho-viability-p1 set1 4 -0.87819381 0.47417028 -0.58102318 -2.12052655 -4.0768551 0 -0.42020016 0.64198891 -0.30969018 -0.72288945 0.02030028 -13.56307955 -3.51459126 -1.23755827 -0.35153913 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63245-28-3 170344 170466635 A Etifenin O=C(Nc1c(cccc1CC)CC)CN(CC(=O)O)CC(=O)O Tox21_110673_1 -NCGC00164590-02 196705108 tox21-ror-cho-viability-p1 set1 4 26.6032120037 -14.1740127159 1 -13.1740127159 4.9549173134 0.9017715136 0.0003017957 1.81809148 2.259027 -0.06302004 1.8730013 1.04883792 0.08889638 2.52381742 0.49895516 1.01816008 2.62147973 -0.77164838 -1.14363327 1.60851652 -2.14745014 -12.22834393 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67392-87-4 68873 170464870 A Drospirenone O=C1CC[C@]6(O1)[C@H]2C[C@H]2[C@H]5[C@@H]7[C@H]3C[C@H]3C4=CC(=O)CC[C@]4(C)[C@H]7CC[C@@]56C Tox21_112216_1 -NCGC00016016-18 196705110 tox21-ror-cho-viability-p1 set1 4 0.1883363179 4.3602550439 -3.3602550439 1 3.1319983358 0.5403367256 0.146137422 -3.27222845 -3.48867669 -1.24050346 -0.96814507 -6.49134091 -1.17695881 -7.38354587 -0.50146548 0.06537003 0.33950131 -0.48907688 3.13646848 0.21261243 0.37541091 2.645489 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 396-01-0 5546 170464706 A Triamterene Nc2nc(N)nc1nc(N)c(nc12)c3ccccc3 Tox21_110283_1 -NCGC00263526-01 196705512 tox21-ror-cho-viability-p1 set1 4 1.21559001 -0.72694196 0.91411532 0.0199843 0.57560643 -1.70025972 2.00469899 3.86924438 2.42389327 0.31078379 0.55971883 -1.25352758 0.65343738 3.88715727 3.89263453 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1310709-74-0 56649463 170466241 A Halometasone hydrate O.OCC(=O)[C@@]4(O)[C@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3C[C@H](F)C1=CC(=O)C(Cl)=C[C@@]12C Tox21_112211_1 -NCGC00018204-13 196705515 tox21-ror-cho-viability-p1 set1 4 2.4546413 -0.0297944 3.70569905 1.02603208 3.16574249 16.99040545 0.84915911 -0.22806201 2.64539018 3.38877003 9.33376321 1.42718134 3.16478043 0.84162687 2.92460932 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 42971-09-5 443955 170465859 A Vinpocetine O=C(OCC)C1=C[C@@]5(CCCN4CCc3c(n1c2ccccc23)[C@@H]45)CC Tox21_110648_1 -NCGC00262932-01 196705521 tox21-ror-cho-viability-p1 set1 4 -5.66862073 -1.3768459 -0.85390583 0.34577276 -0.5752554 0.37247656 -1.5047519 -0.32035162 -0.31921737 1.00731407 -5.15087807 -0.17604888 -0.92214174 -4.4757413 1.14412848 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 125-13-3 31315 170466393 A A Oxyphenisatin Oc1ccc(cc1)C2(c3ccccc3NC2=O)c4ccc(O)cc4 Tox21_113927 -NCGC00255066-01 196699673 tox21-ror-cho-viability-p1 set1 4 -0.07221411 0.71756169 -0.39918573 -0.25144018 0.96837591 1.39186804 0.67452465 3.35074528 1.50902443 1.11077727 -4.33381418 0.03969659 2.41906973 0.28023616 -0.7632613 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-19-4 7790 144211485 A A Dipropyl hexanedioate O=C(CCCCC(=O)OCCC)OCCC Tox21_301168 -NCGC00256180-01 196701313 tox21-ror-cho-viability-p1 set1 -2.4 38.5707788719 -21.9649291199 -2 -23.9649291199 2.2526478767 0.8821455183 0.0007270445 -2.32030464 -0.31218039 -3.3542723 -0.78189776 0.31284307 -8.17796753 0.24707773 -0.22614468 -0.15475068 -1.98294836 -3.34577525 -3.89016794 -4.57085495 -14.24393083 -23.3041076 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1565-94-2 15284 144212000 A Bisphenol A glycidyl methacrylate C=C(C)C(=O)OCC(O)COc1ccc(cc1)C(C)(C)c2ccc(OCC(O)COC(=O)C(=C)C)cc2 Tox21_301683 -NCGC00255234-01 196701314 tox21-ror-cho-viability-p1 set1 4 31.8813234919 8.357963068 -1.857963068 6.5 2.6384283767 0.4029361207 0.272611063 0.03733233 -6.13163589 0.74803938 -0.36886466 -3.80156423 0.5230229 -3.22869338 -3.74837785 2.40202792 -4.66817225 -0.78689536 -3.19543982 -0.17620523 0.85393768 5.284703 7.55E-10 1.688E-9 3.775E-9 8.441E-9 1.888E-8 4.221E-8 9.438E-8 2.1099999999E-7 4.719E-7 0.0000010549999999 0.0000023589999999 0.000005276 0.0000118 0.000026379999999 0.000058989999999 90823-38-4 64772 144212668 A A Denatonium saccharide CC[N+](Cc1ccccc1)(CC)CC(=O)Nc2c(C)cccc2C.O=C1[N-]S(=O)(=O)c2ccccc12 Tox21_302351 -NCGC00258683-01 196701720 tox21-ror-cho-viability-p1 set1 4 5.24310279 0.81979374 -1.0828372 7.85322539 1.3873954 3.74063733 2.33775016 -0.51215872 3.75167575 1.54612273 -0.90856768 0.56520249 0.37704335 -1.26600938 -0.59398628 1.2049999999E-9 2.695E-9 6.0249999999E-9 1.347E-8 3.013E-8 6.737E-8 1.506E-7 3.368E-7 7.5319999999E-7 0.0000016839999999 0.000003766 0.000008421 0.000018829999999 0.0000421 0.00009415 51-66-1 5827 144208329 A A N-(4-Methoxyphenyl)acetamide COc1ccc(NC(C)=O)cc1 Tox21_201131 -NCGC00164127-03 196699258 tox21-ror-cho-viability-p1 set1 -2.2 61.130564862 -69.6819993006 -0.631001559 -70.3130008596 2.9022712143 0.9733537919 2.473E-7 1.05547729 -5.90710797 -4.78193922 1.90622706 -0.97667426 0.60007935 0.10122804 -1.79878945 0.57364486 1.76786024 0.24777555 0.1222849 -5.69075479 -16.61803088 -54.40378853 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00254051-01 196699662 tox21-ror-cho-viability-p1 set1 4 -0.54473919 5.60648507 0.89213649 1.45080665 -0.60021875 -3.9282036 3.54537575 0.02903729 2.39200152 7.91375852 1.38952976 -3.5503117 6.19630192 -0.124763 0.45480061 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47333 9951932 144210581 A A PharmaGSID_47333 Cc1ncc(cn1)[C@H](CC(=O)O)CCCCCCc2ccc3CCCNc3n2 Tox21_300261 -NCGC00254135-01 196699669 tox21-ror-cho-viability-p1 set1 4 2.00510253 -1.3583925 4.21217257 -0.16196452 2.18586272 0.09709381 1.93417925 -0.07989897 0.57629698 0.44079865 -2.42444469 0.58608912 1.7759321 2.47659055 2.56477641 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-41-0 1775 144210601 A A 5,5-Diphenylhydantoin O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3 Tox21_300281 -NCGC00254315-01 196699674 tox21-ror-cho-viability-p1 set1 4 27.3060203028 -20.9329122559 1 -19.9329122559 4.5044702849 0.7262857913 0.0347388295 -0.35771667 5.29251578 -2.22696219 5.43258049 1.53126659 0.77308835 -2.68631104 5.33959973 2.2846875 -3.12450284 2.73698604 -2.30639152 -1.83376049 -17.02742688 -4.06863615 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 375-95-1 67821 144210698 PFNA FC(F)(C(F)(F)C(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300380 -NCGC00255625-01 196700080 tox21-ror-cho-viability-p1 set1 4 0.63979847 3.97353451 -1.75503804 0.76059658 -0.68247047 0.35526337 -2.73574301 -0.61514663 1.36449601 6.98142414 0.53520762 0.24720903 -0.87890071 6.79703181 5.15847776 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2050-99-9 62421 144212549 A F 2,8-Dimethylnonan-5-one CC(C)CCC(=O)CCC(C)C Tox21_302232 -NCGC00255808-01 196700500 tox21-ror-cho-viability-p1 set1 4 -4.17754213 3.09138504 2.7837428 0.87272368 3.38971945 5.26084271 -0.84551893 0.31828978 0.97361068 -8.00556819 0.03144822 -3.83100851 -0.83087845 0.76506662 -1.007693 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59337-93-8 101012 144212297 A A Methyl 3-sulfamoylthiophene-2-carboxylate O=S(N)(=O)c1ccsc1C(=O)OC Tox21_301980 -NCGC00255558-01 196700512 tox21-ror-cho-viability-p1 set1 4 -0.8967375 2.64365686 -1.57613879 4.02877914 -1.11126941 6.44005611 3.5989819 1.77951412 4.33938209 -2.18180111 -2.14611976 4.4909797 2.1705512 1.93739701 2.5168514 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4196-89-8 20169 144211834 A A Neopentyl glycol dibenzoate CC(C)(COC(=O)c1ccccc1)COC(=O)c2ccccc2 Tox21_301517 -NCGC00255201-01 196700514 tox21-ror-cho-viability-p1 set1 4 -2.82406475 -0.98076719 -0.15910509 -2.52288473 3.30778118 5.28623638 -5.6403478 -2.04643403 -2.2910092 -5.74846445 2.40858921 -2.71450378 -9.54974535 -6.07630457 2.36205253 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13647-35-3 656583 144212723 A A Trilostane N#CC=2C[C@]4(C)[C@H]5CC[C@]1(C)[C@@H](O)CC[C@H]1[C@@H]5CC[C@@]34O[C@@H]3C=2O Tox21_302406 -NCGC00254052-01 196720306 tox21-ror-cho-viability-p1 set3 4 6.8589621897 17.155566592 -7.155566592 10 0.3 0.5929938932 0.1025836049 -4.35265712 -5.62773306 -6.03006773 -9.71297216 -2.6575264 -4.68467479 3.10253614 -0.05905481 -5.01244254 2.61099646 -1.93707682 -0.10209009 -0.16695701 4.63856951 7.39169067 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 473289-62-2 9824131 144210558 A A Ilepatril CC(C)[C@H](SC(C)=O)C(=O)N[C@H]3Cc1ccccc1[C@H]2CCC[C@@H](C(=O)O)N2C3=O Tox21_300238 -NCGC00254277-01 196719891 tox21-ror-cho-viability-p1 set3 4 0.685896219 -10.4532018719 -1 -11.4532018719 4.9549173134 0.5178961693 0.1625659558 -6.6542424 -4.86750504 -1.8304514 2.44061362 -0.49984271 -0.39184136 -1.55680542 4.39831602 -7.82884218 -22.46100156 -7.7131979 -5.80023339 -6.02608043 -18.77190198 -9.04398108 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69-65-8 6251 144210801 A A D-Mannitol O[C@H]([C@H](O)CO)[C@H](O)[C@H](O)CO Tox21_300483 -NCGC00254317-01 196719893 tox21-ror-cho-viability-p1 set3 4 0.1722893406 8.5596605719 -9.5596605719 -1 0.9999999999 0.4609340986 0.2146215275 0 -16.71638381 -11.14547868 -7.03182448 -10.07065609 -9.30853465 -2.94312935 -0.69633361 -6.26956705 -4.70327992 -0.58641009 -0.20555053 -2.17666319 0.87747261 -0.4394048 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-14-2 8461 144210811 A F 2,4-Dinitrotoluene Cc1ccc(cc1[N+](=O)[O-])[N+]([O-])=O Tox21_300493 -NCGC00254811-01 196719902 tox21-ror-cho-viability-p1 set3 4 6.91691648 4.24492654 5.45568015 -1.72915547 7.93250678 -3.79893818 8.5511461 8.0466876 4.81416486 4.21500228 2.37498101 5.95912427 7.29506149 5.62252917 -0.16506044 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103055-07-8 71777 144211224 A A Lufenuron Clc2cc(NC(=O)NC(=O)c1c(F)cccc1F)c(Cl)cc2OC(F)(F)C(F)C(F)(F)F Tox21_300907 -NCGC00254979-01 196720307 tox21-ror-cho-viability-p1 set3 4 0.5481527873 -5.0020726559 5 -0.0020726559 4.9549173134 0.3019154667 0.3813379427 2.05835182 7.62021718 -1.66839388 1.75560688 13.52181512 1.0905135 10.84663786 6.1122693 0.54514139 -1.25570855 -0.58646016 -0.2779727 2.09881094 0.17688571 6.70760466 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 141-66-2 5371560 144211395 A A Dicrotophos O=P(OC)(OC)OC(\C)=C\C(=O)N(C)C Tox21_301078 -NCGC00254199-01 196720308 tox21-ror-cho-viability-p1 set3 4 0.0172289341 -8.7940317879 8 -0.7940317879 4.9549173134 0.5431169683 0.141593801 3.58986287 8.96614135 11.204858 6.50380573 -1.96451089 0.55682589 1.45866498 0.98059282 -6.49502649 -5.6016427 -0.22561035 6.08100687 1.97672668 -5.08684509 -0.58312556 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58-14-0 4993 144210449 A A Pyrimethamine CCc1nc(N)nc(N)c1c2ccc(Cl)cc2 Tox21_300129 -NCGC00253960-01 196720313 tox21-ror-cho-viability-p1 set3 4 -7.58479557 -7.192067 0.8994425 -0.76437181 -3.19167876 -2.0856979 2.89601745 0.78186199 2.16226692 -0.29054415 2.9034292 -8.07938077 -7.29835406 3.74362803 -11.45819062 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 541-73-1 10943 144210325 FNS 1,3-Dichlorobenzene Clc1cccc(Cl)c1 Tox21_300005 -NCGC00163818-04 196720319 tox21-ror-cho-viability-p1 set3 -2.4 25.9539355476 -31.955030084 3.5 -28.455030084 2.0478617061 0.7552639266 0.0234600561 5.95444988 5.12264094 7.61991446 9.99223266 -1.67716691 1.93688669 -0.25301074 -0.15136797 5.00190833 7.86978851 -3.56802681 -0.49432843 -5.5215687 -21.21252507 -7.89189152 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00254420-01 196720323 tox21-ror-cho-viability-p1 set3 4 0.0015355304 13.2728139399 -8.7728139399 4.5 4.9549173134 0.3420481241 0.3283741844 -6.47734495 4.54731645 5.61891451 0.67247022 4.10573824 10.45985928 -6.40356163 7.77601785 6.58622199 4.48912612 7.1229626 8.48366797 3.83369798 1.65167692 4.77792723 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4904-61-4 638081 144210719 AC Fns 1,5,9-Cyclododecatriene C1C=CCCC=CCCC=CC1 Tox21_300401 -NCGC00254404-01 196720740 tox21-ror-cho-viability-p1 set3 -1.1 3.7578035763 -113.0810081687 1.5884695272 -111.4925386415 0.8999999999 0.9603738644 0.0000023229 -2.46161398 -0.59781397 7.58003317 -0.58653129 -3.75096904 1.48056223 -6.67426735 5.46072942 5.28109307 -36.19800065 -42.48307852 -51.92584147 -73.34944 -96.90172715 -98.31793531 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 137-30-4 8722 144210821 A Ziram [Zn+2].S=C([S-])N(C)C.CN(C)C([S-])=S Tox21_300503 -NCGC00254385-01 196720347 tox21-ror-cho-viability-p1 set3 4 0.33381165 2.92560037 2.8009437 2.64303585 1.15088354 6.58979225 2.67933354 3.06039294 1.76120768 -0.75384642 -1.90593466 3.24851646 2.75430557 -0.85430267 1.17889048 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-92-2 31276 144210691 FNS 3-Methylbutyl acetate CC(=O)OCCC(C)C Tox21_300373 -NCGC00258407-01 196715662 tox21-ror-cho-viability-p1 set2 4 4.22660346 -0.01862158 1.70871031 1.628279 0.53501068 -45.7502476 -1.01812706 3.14767765 0.9515845 0.10529148 1.96675582 0.13787147 1.61653402 2.45704641 1.85545045 1.1739999999E-9 2.626E-9 5.871E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.282E-7 7.339E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.000091739999999 620-22-4 12104 144208051 A A 3-Methylbenzonitrile N#Cc1cccc(C)c1 Tox21_200853 -NCGC00257647-01 196715659 tox21-ror-cho-viability-p1 set2 -2.2 54.6489338392 -45.5381253468 -0.30476159 -45.8428869368 3.9899729863 0.9747418355 1.824E-7 -3.76507144 -0.13096809 -4.08724806 -0.64807767 1.25876518 1.10842081 0.50438967 -0.92656935 0.30856602 0.14422755 1.00960238 1.87876216 0.45775495 -10.72878797 -41.16885374 1.183E-9 2.644E-9 5.913E-9 1.322E-8 2.9559999999E-8 6.611E-8 1.4779999999E-7 3.305E-7 7.3909999999E-7 0.0000016529999999 0.0000036949999999 0.000008263 0.00001848 0.00004132 0.00009239 4759-48-2 5282379 144207291 I D 13-cis Retinoic acid CC=1CCCC(C)(C)C=1/C=CC(\C)=C\C=CC(/C)=C\C(=O)O Tox21_200093 -NCGC00258380-01 196715660 tox21-ror-cho-viability-p1 set2 4 1.04051584 3.07800787 1.44445761 2.76805867 0.0792693 3.10190565 2.18416898 -0.17825887 2.34141104 -0.62635569 1.61663936 -0.37501403 1.91544595 0.50634629 -1.64383013 1.198E-9 2.679E-9 5.991E-9 1.34E-8 2.996E-8 6.698E-8 1.4979999999E-7 3.3489999999E-7 7.4889999999E-7 0.000001675 0.000003745 0.000008373 0.000018719999999 0.000041859999999 0.000093609999999 79-41-4 4093 144208024 A A Methacrylic acid C=C(C)C(=O)O Tox21_200826 -NCGC00258492-01 196716065 tox21-ror-cho-viability-p1 set2 4 -0.52408027 -3.30841706 -7.23848537 -1.87312229 -1.38019511 -1.84658278 -2.92164152 -0.10421568 0.28265335 0.2899379 -0.77689526 -0.37819669 -0.62358028 -1.5543595 -1.80786478 1.2319999999E-9 2.755E-9 6.1599999999E-9 1.3769999999E-8 3.08E-8 6.887E-8 1.54E-7 3.444E-7 7.6999999999E-7 0.000001722 0.0000038499999999 0.000008609 0.00001925 0.000043039999999 0.00009625 105-34-0 7747 144208136 A Ac Methyl cyanoacetate N#CCC(=O)OC Tox21_200938 -NCGC00258290-01 196716076 tox21-ror-cho-viability-p1 set2 4 -0.39488192 2.08402977 -1.60147798 -1.6385299 3.11451551 0.56352927 3.34160769 3.18611987 3.55178383 2.9533412 3.22685721 -0.29379196 2.93186536 1.238392 3.84592661 1.198E-9 2.679E-9 5.9899999999E-9 1.339E-8 2.995E-8 6.697E-8 1.497E-7 3.3479999999E-7 7.487E-7 0.0000016739999999 0.000003744 0.000008371 0.000018719999999 0.00004185 0.00009359 104-75-6 7719 144207934 Fns Fns 2-Ethylhexylamine CCC(CCCC)CN Tox21_200736 -NCGC00258276-01 196716087 tox21-ror-cho-viability-p1 set2 4 -0.92251463 1.83585062 -8.7914956 -4.8112227 -0.66136257 0 0.57464365 0.91872961 -1.1291436 -3.86563059 0.00655599 -5.05079275 -5.83961198 -0.17468587 -0.04375464 1.212E-9 2.711E-9 6.0619999999E-9 1.3549999999E-8 3.031E-8 6.7769999999E-8 1.515E-7 3.3889999999E-7 7.577E-7 0.0000016939999999 0.000003789 0.000008472 0.00001894 0.000042359999999 0.000094709999999 494-90-6 329983 144207920 FNS Menthofuran CC1Cc2occ(C)c2CC1 Tox21_200722 -NCGC00257610-01 196716481 tox21-ror-cho-viability-p1 set2 4 -2.22691899 -8.6356515 -1.49098404 -0.64161446 0.00296136 -0.79957872 -5.31991019 -2.09990747 -2.1675883 -3.75515958 0.73391143 -6.81324585 -7.92293046 -0.77740393 -4.16580524 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.3169999999E-8 2.944E-8 6.583E-8 1.472E-7 3.291E-7 7.3599999999E-7 0.0000016459999999 0.00000368 0.000008228 0.000018399999999 0.000041139999999 0.000092 632-79-1 12443 144207254 F Tetrabromophthalic anhydride O=C1OC(=O)c2c1c(Br)c(Br)c(Br)c2Br Tox21_200056 -NCGC00257786-01 196716490 tox21-ror-cho-viability-p1 set2 4 -0.13082686 2.37879811 0.16725096 0.24881946 -0.64421315 4.57033886 -0.32223163 2.14180088 0.58050918 0.32229476 2.6638958 6.41036046 3.48480678 0.74577868 0.60296014 1.193E-9 2.667E-9 5.963E-9 1.333E-8 2.981E-8 6.6669999999E-8 1.491E-7 3.3329999999E-7 7.4539999999E-7 0.0000016669999999 0.0000037269999999 0.000008333 0.00001863 0.00004167 0.00009317 108-69-0 7949 144207430 A A 3,5-Dimethylaniline Cc1cc(N)cc(C)c1 Tox21_200232 -NCGC00257712-01 196716503 tox21-ror-cho-viability-p1 set2 4 3.38017521 1.24987471 1.4079613 0.66644584 1.62456188 0.02908646 3.02898166 0.43548263 1.07831735 1.13142721 1.20393305 5.21592181 0.98768599 1.41852156 2.29106166 1.216E-9 2.718E-9 6.078E-9 1.359E-8 3.0389999999E-8 6.795E-8 1.519E-7 3.3979999999E-7 7.597E-7 0.000001699 0.000003799 0.0000084939999999 0.000018989999999 0.00004247 0.000094959999999 87-59-2 6893 144207356 A Ac 2,3-Dimethylaniline Cc1cccc(N)c1C Tox21_200158 -NCGC00094516-08 196716903 tox21-ror-cho-viability-p1 set2 4 1.55125067 0.73737097 5.18587203 4.72162933 4.65492269 7.63582837 7.64085044 6.26990627 5.38336806 1.6358595 4.44768681 2.08747194 2.75920929 1.75373044 1.33381588 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56-72-4 2871 170466302 F Coumaphos CCOP(=S)(OCC)Oc1ccc2c(c1)OC(=O)C(Cl)=C2C Tox21_111290_1 -NCGC00179358-04 196717314 tox21-ror-cho-viability-p1 set2 3 33.4914596268 56.302457681 1.0494155259 57.3518732069 4.9549173134 0.9629938663 0.0000015881 -0.37788547 1.83728887 2.72012175 1.96635575 5.45597062 4.33829605 3.40446813 3.08447361 -2.34482877 0.51818404 -1.95871887 -1.37640796 0.27312215 3.53998193 50.39097023 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3963-95-9 54685047 170465224 A Methacycline hydrochloride Cl.NC(=O)C=3C(=O)[C@@]4(O)C(O)=C2C(=O)c1c(O)cccc1C(=C)[C@H]2[C@H](O)[C@H]4[C@@H](C=3O)N(C)C Tox21_110542_1 -NCGC00015578-12 196717330 tox21-ror-cho-viability-p1 set2 4 -0.22095152 -6.19130529 -3.53528031 1.56661841 -3.20158307 -3.88679798 -0.03350466 -1.5732051 -0.00804441 3.06615377 0.16705529 -1.64225614 0.06261778 -5.93133693 -1.70155043 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 22071-15-4 3825 170465449 A Ketoprofen CC(C(=O)O)c1cccc(c1)C(=O)c2ccccc2 Tox21_110594_1 -NCGC00016069-13 196717739 tox21-ror-cho-viability-p1 set2 2.4 0.026603212 26.64199922 -19.14199922 7.5 0.2 0.7154956731 0.031712897 -9.23783236 -14.28499935 -7.14224092 -5.62315998 -5.57821154 -10.22298464 0.60307326 -3.98865133 -0.14045259 -1.01443662 -2.79386322 -1.02419814 -0.187098 0.44497809 5.95537614 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59803-98-4 2435 170464941 A Brimonidine Brc2c3nccnc3ccc2NC1=NCCN1 Tox21_110299_1 -NCGC00258708-01 196716092 tox21-ror-cho-viability-p1 set2 4 2.39813846 3.01224993 6.34870562 3.38412071 2.2536791 4.97033325 4.25296296 4.01393347 3.7227969 3.47062885 -0.76308988 0.85120524 1.04543534 0.90565348 -1.15037198 1.1759999999E-9 2.63E-9 5.8799999999E-9 1.315E-8 2.94E-8 6.574E-8 1.4699999999E-7 3.2869999999E-7 7.35E-7 0.0000016439999999 0.0000036749999999 0.000008218 0.000018379999999 0.00004109 0.00009188 56425-91-3 73668 144208354 A A Flurprimidol OC(C(C)C)(c1cncnc1)c2ccc(OC(F)(F)F)cc2 Tox21_201156 -NCGC00258794-01 196706351 tox21-ror-cho-viability-p1 set1 4 0.42621911 -3.04292489 0.5902216 -4.78990399 -6.51730719 0.68354855 0.46926777 0.18844259 0.81851848 -5.20417908 -3.59260498 -7.85426379 -5.72645879 -0.53411942 2.77523341 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.295E-7 7.367E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.000041179999999 0.00009209 96-17-3 7284 144208440 FNS 2-Methylbutanal CC(CC)C=O Tox21_201242 -NCGC00259210-01 196706340 tox21-ror-cho-viability-p1 set1 4 3.96024325 -0.30440451 -0.29239304 -4.32818935 6.45899094 2.78651368 2.33647788 0.29971387 4.91929604 -5.30862849 0.09798226 2.21900725 1.54971255 1.63031953 1.70599775 1.1989999999E-9 2.6809999999E-9 5.995E-9 1.3409999999E-8 2.998E-8 6.703E-8 1.4989999999E-7 3.351E-7 7.494E-7 0.000001676 0.000003747 0.000008378 0.00001873 0.00004189 0.00009367 91-08-7 7040 144208859 FNS Toluene-2,6-diisocyanate O=C=N/c1cccc(/N=C=O)c1C Tox21_201661 -NCGC00091086-02 196706345 tox21-ror-cho-viability-p1 set1 4 -1.55532978 3.45691132 2.67346846 2.90128883 -0.54364198 -2.91228112 -0.63087702 -3.22225232 5.82505165 6.20779607 2.22963964 -0.09611965 -2.82627829 -1.24071579 1.64888658 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00259970-01 196706349 tox21-ror-cho-viability-p1 set1 4 8.02365818 0.40176462 6.43323578 0.27824868 -1.65010136 -1.65821298 0.71726843 0.89048639 -0.61975278 8.0116441 -4.95558928 -0.09247666 -0.45633212 1.57296616 -2.92940652 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.962E-8 6.622E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 21245-02-3 30541 144209619 A A 2-Ethylhexyl 4-(dimethylamino)benzoate CN(C)c1ccc(cc1)C(=O)OCC(CC)CCCC Tox21_202421 -NCGC00259919-01 196706358 tox21-ror-cho-viability-p1 set1 4 5.90869742 -1.05641992 0.27957903 0.43875356 3.09135956 2.3698063 0.80267654 -0.21689784 -7.31035771 6.33040965 1.42412797 -4.73289618 0.90152666 3.51658058 0.87125352 1.162E-9 2.599E-9 5.812E-9 1.2999999999E-8 2.9059999999E-8 6.4979999999E-8 1.453E-7 3.249E-7 7.265E-7 0.000001624 0.000003632 0.000008122 0.00001816 0.00004061 0.000090809999999 6959-48-4 23394 144209568 D 3-(Chloromethyl)pyridine hydrochloride Cl.ClCc1cccnc1 Tox21_202370 -NCGC00259082-01 196706764 tox21-ror-cho-viability-p1 set1 4 -0.09423878 4.8559188 -5.01798222 -2.53893182 0.08465004 -0.6095594 0.14292678 2.92067621 3.878596 0 -0.22728818 4.25382606 1.09412124 1.44038884 1.44071074 1.146E-9 2.563E-9 5.73E-9 1.281E-8 2.865E-8 6.407E-8 1.433E-7 3.203E-7 7.163E-7 0.000001602 0.0000035809999999 0.0000080079999999 0.00001791 0.000040039999999 0.000089529999999 77-79-2 6498 144208730 A A 3-Sulfolene O=S1(=O)CC=CC1 Tox21_201532 -NCGC00259152-01 196706770 tox21-ror-cho-viability-p1 set1 4 0.0139223639 10.822290224 -12.822290224 -2 0.7999999999 0.4552098949 0.2202221308 -12.35190852 -7.17236513 -10.03626199 -9.99628606 -8.53067677 1.13944385 0.39319157 -5.51688524 -2.80647036 -9.66428029 -6.20273546 -0.01044765 2.15507766 -1.38258439 -1.41739665 1.197E-9 2.677E-9 5.9849999999E-9 1.338E-8 2.993E-8 6.6919999999E-8 1.496E-7 3.346E-7 7.482E-7 0.000001673 0.000003741 0.000008365 0.000018699999999 0.000041819999999 0.000093519999999 122-52-1 31215 144208801 D Triethyl phosphite CCOP(OCC)OCC Tox21_201603 -NCGC00164164-02 196706774 tox21-ror-cho-viability-p1 set1 4 7.24665957 5.14686321 2.56609543 -0.76572726 -0.92361734 2.60725466 -1.15768599 -1.15077057 -0.98544652 4.01102104 0.03805848 -1.13239164 2.84229853 -0.97989647 0.49234017 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00257215-01 196707173 tox21-ror-cho-viability-p1 set1 4 -0.86225082 -1.33882211 -1.53122387 -0.56476234 -3.61818892 0 -2.86842367 -2.07763944 -3.23416231 -0.45751818 -3.56472216 -2.13569139 1.01260309 -0.89509895 -5.29588912 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-16-7 444266 144213362 F A Maleic acid O=C(O)/C=C\C(=O)O Tox21_303045 -NCGC00257157-01 196707174 tox21-ror-cho-viability-p1 set1 4 -0.38688801 0.89209839 -2.05274756 0.88936453 4.31232415 1.77779451 -0.83132838 1.80881714 0.15305239 -1.88433293 0.6444601 1.24538049 4.27673419 2.62732526 5.11208475 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-63-8 7451 144213373 F F 1,3-Benzenedicarbonyl dichloride O=C(Cl)c1cccc(c1)C(Cl)=O Tox21_303056 -NCGC00159325-05 196704309 tox21-ror-cho-viability-p1 set1 4 37.5780357627 -9.02905616 -0.5 -9.52905616 4.9549173134 0.385431472 0.2903198099 -1.73700146 -2.04183597 -3.08195621 -2.11348576 0.64061225 3.10843675 -2.41053937 2.35997604 0.69440205 -0.267499 2.17769106 1.31386371 -4.42029592 -0.11185317 -7.1075468 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 100643-71-8 124087 170464781 A Desloratadine Clc2cc3CCc4cccnc4\C(=C1\CCNCC1)c3cc2 Tox21_111574_1 -NCGC00183029-02 196704301 tox21-ror-cho-viability-p1 set1 4 1.72012267 2.29546856 1.1061364 5.83612134 1.34620447 -0.16986233 0.71651328 9.17384797 1.53423031 1.09238469 0.95865651 2.23022381 -0.78819833 0.53258214 -0.70153507 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 30751-05-4 5597 170465889 A Troxipide O=C(NC1CCCNC1)c2cc(OC)c(OC)c(OC)c2 Tox21_113383_1 -NCGC00159425-04 196704306 tox21-ror-cho-viability-p1 set1 4 -0.77217253 2.41473738 3.64648572 1.75837886 3.56552599 3.70612823 -0.01540778 1.79783346 1.49962761 0.85693361 0.05608794 3.4816735 0.94592559 -2.33203976 1.29272134 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112-38-9 5634 170465527 Fc 10-Undecenoic acid O=C(O)CCCCCCCCC=C Tox21_111657_1 -NCGC00095748-04 196704308 tox21-ror-cho-viability-p1 set1 4 -8.54577453 -8.99316235 -5.98562458 -6.71639006 -4.46329604 -3.65896586 0.77347259 -4.22309202 -1.95165402 -3.71517268 -1.96990014 -3.72422199 -4.36530282 -0.27133766 -4.33224967 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 544-62-7 3681 170465730 F 3-(Octadecyloxy)-1,2-propanediol OC(CO)COCCCCCCCCCCCCCCCCCC Tox21_111515_1 -NCGC00258497-01 196702172 tox21-ror-cho-viability-p1 set1 -2.2 34.4455208345 -55.2363038113 -1.883155267 -57.1194590783 2.4063783767 0.931277901 0.0000465979 1.32898859 -9.2353638 -1.60981455 -4.32543055 3.78295109 4.33211613 -0.13391831 -6.93888195 3.3925804 -6.43361037 -4.07998826 -6.56042349 -13.84645976 -34.95001227 -59.49943654 1.301E-9 2.909E-9 6.505E-9 1.455E-8 3.2519999999E-8 7.273E-8 1.626E-7 3.6359999999E-7 8.131E-7 0.000001818 0.000004066 0.0000090909999999 0.000020329999999 0.00004546 0.00010159999999 68047-06-3 449459 144208141 A A (Z)-4-Hydroxytamoxifen Oc1ccc(cc1)C(\c2ccc(OCCN(C)C)cc2)=C(/CC)c3ccccc3 Tox21_200943 -NCGC00255939-01 196701325 tox21-ror-cho-viability-p1 set1 4 38.5707788719 -9.192461864 0.5 -8.692461864 1.24751 0.5816274535 0.1129674104 1.04564261 -0.80482057 0.18003908 0.72776521 -1.03983536 2.16696154 0.03505701 -0.54290378 0.30570045 4.47728978 -0.50909529 0.23264283 -5.36570634 -1.5484034 -7.24371822 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 61213-25-0 91677 144212576 A A Flurochloridone FC(F)(F)c1cccc(c1)N2CC(CCl)C(Cl)C2=O Tox21_302259 -NCGC00091163-03 196701746 tox21-ror-cho-viability-p1 set1 4 0.35880396 1.21114188 -0.20750392 0.01298349 0.14606361 -0.61674195 5.01835007 -7.68095692 -0.75336989 -2.04853552 -6.27228316 0.85379344 3.44075416 1.43827361 1.34964305 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00258559-01 196701755 tox21-ror-cho-viability-p1 set1 4 -12.05400746 -14.50739074 -14.86181675 -0.04214626 -7.8723247 -1.85429503 -16.372551 -10.0412063 -2.68982785 -16.09239808 -12.79754433 -17.50046147 -11.69857306 -12.41975253 -12.62622488 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.613E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.00001848 0.00004133 0.00009242 7585-39-9 444041 144208204 A beta-Cyclodextrin OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O Tox21_201006 -NCGC00091902-08 196702178 tox21-ror-cho-viability-p1 set1 4 1.75022682 -0.05553708 0.20558906 -1.21883663 -9.88438288 0.45570247 -14.77367062 -7.91470814 1.82427438 -11.69353048 -7.78898938 1.1382694 0.25029734 4.03025782 1.01650776 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00257983-01 196702587 tox21-ror-cho-viability-p1 set1 4 4.6659327 4.39753475 6.77853833 -0.89137372 5.25724297 -3.666749 4.20987852 -4.16392378 6.12699767 -4.35073152 4.21095318 1.82394083 -0.1810037 0.48119217 1.91065172 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.4729999999E-7 3.295E-7 7.367E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.000041179999999 0.00009209 90-80-2 7027 144207627 I F Gluconolactone O[C@H]1[C@H](O)[C@@H](O)C(=O)O[C@@H]1CO Tox21_200429 -NCGC00260282-01 196702990 tox21-ror-cho-viability-p1 set1 4 0.95140306 0.33740429 -0.19119247 -2.14207983 -3.14925184 -2.22639488 -5.21873586 -0.98215426 -2.16901424 -0.90374199 -2.23392052 -2.37564788 -2.2456787 1.89223577 0.20132037 3.02E-10 6.752E-10 1.51E-9 3.376E-9 7.549E-9 1.688E-8 3.774E-8 8.44E-8 1.887E-7 4.2199999999E-7 9.436E-7 0.0000021099999999 0.0000047179999999 0.00001055 0.00002359 294-62-2 9268 144209932 Fns Cyclododecane C1CCCCCCCCCCC1 Tox21_202734 -NCGC00357097-01 196703010 tox21-ror-cho-viability-p1 set1 4 4.8557733675 -9.3469148199 0 -9.3469148199 4.9549173134 0.5819395261 0.1105830217 2.52494639 -0.38278358 -0.76087517 -0.17447815 -0.44922585 -0.89183887 -1.36232239 -1.75135364 0.29032822 1.59584125 -0.27070363 -12.3690176 -9.26090835 0.47437755 -15.70576235 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-28-2 6836 251919957 A 9-Ethylcarbazole CCn3c1ccccc1c2ccccc23 Tox21_303819 -NCGC00021304-05 196725027 tox21-ror-cho-viability-p1 set3 4 -5.32327149 0 2.45485602 2.42881278 -3.70324025 -6.90678423 -5.61149325 -6.35067811 -0.84255987 0.44878247 3.44655191 -5.90703132 3.41014231 2.30449522 -7.61785077 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64-85-7 6166 170466468 A 21-Hydroxyprogesterone OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_110356_1 -NCGC00091261-03 196724601 tox21-ror-cho-viability-p1 set3 4 17.2289340586 -11 12.5 1.5 4.9549173134 0.3749190005 0.2959910653 2.46133398 12.17557223 4.18236884 11.51590425 4.76711123 12.71496351 14.66565645 19.35613626 17.14644458 19.26659107 16.6512667 12.57333415 6.40460687 1.30655815 1.51770495 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00357269-01 196724612 tox21-ror-cho-viability-p1 set3 4 -1.14203988 0.33003517 -1.22798261 -8.95686547 4.58928055 1.73451389 1.01043008 -12.99011364 0.39646084 -5.12775264 0.32916109 -9.03035245 -5.61543329 1.0371056 -4.64690616 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 565-80-0 11271 251919742 Fc 2,4-Dimethylpentan-3-one CC(C)C(=O)C(C)C Tox21_303876 -NCGC00262923-01 196722347 tox21-ror-cho-viability-p1 set3 -2.4 14.9600854925 -32.87918544 -1 -33.87918544 1.0999999999 0.9469184056 0.0000116948 -0.12474756 -4.24658813 -0.07909884 1.75704272 -2.9246478 -0.8120028 1.82849053 -0.42578995 -2.4163321 -3.63842157 -4.86217639 -6.8744151 -14.2650377 -17.6693622 -29.8993212 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3158-91-6 76619 170466677 A A 2-Chlorodibenz(b,f)-1,4-oxazepin-11(10H)-one Clc1cc2NC(=O)c3ccccc3Oc2cc1 Tox21_113919 -NCGC00258902-01 196721948 tox21-ror-cho-viability-p1 set3 -1.1 2.4262288105 -65.0377570368 -9.144693546 -74.1824505828 1.5094870999 0.804200483 0.0072515057 -37.96729468 -38.44929866 -1.3585976 -0.34189306 -1.74398764 -1.9555198 -2.93059436 -4.87977362 -9.86424449 -40.32971138 -51.51698955 -61.03522569 -61.90375838 -70.5453614 -87.6861118 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.000091989999999 70-30-4 3598 144208548 A A Hexachlorophene Clc2c(Cc1c(O)c(Cl)cc(Cl)c1Cl)c(O)c(Cl)cc2Cl Tox21_201350 -NCGC00166118-02 196722340 tox21-ror-cho-viability-p1 set3 4 -1.92821842 -5.42086465 -0.78838438 -0.49648208 -1.59660535 0.17766561 3.54725708 -0.03544666 -4.24548391 -9.18048584 0.83756196 -4.09684759 -7.4568487 -3.03244691 5.41702794 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3731-52-0 31018 170466447 Z 3-(Aminomethyl)pyridine NCc1cccnc1 Tox21_112325_1 -NCGC00025125-18 196722346 tox21-ror-cho-viability-p1 set3 4 -6.52339717 -0.36268265 2.36179742 -8.39888507 -3.22308555 -0.02835048 -11.203646 -13.13446725 -0.76697731 -2.41798861 -4.36458617 -4.76114415 -6.24984154 -6.47427149 -14.70514191 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64-86-8 6167 170465011 A Colchicine CC(=O)N[C@H]2CCc3cc(OC)c(OC)c(OC)c3C1=CC=C(OC)C(=O)C=C12 Tox21_110947_1 -NCGC00016634-04 196722759 tox21-ror-cho-viability-p1 set3 4 1.56128862 2.49521271 5.67285811 -11.83024 0 0 0 -3.37196319 3.28228949 3.32925647 4.0919567 0.11613828 -2.05826202 0.46754662 0.62698098 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3598-37-6 6420038 170465731 A Acetopromazine maleate O=C(O)/C=C\C(=O)O.CC(=O)c1cc2N(CCCN(C)C)c3ccccc3Sc2cc1 Tox21_110536_1 -NCGC00160503-02 196723590 tox21-ror-cho-viability-p1 set3 4 2.17050573 -3.67761864 -2.40600031 -1.57671484 -3.0979766 2.33487945 -3.84303373 1.23358265 2.91998841 2.80080229 4.19189188 -3.29468578 -7.31221921 -1.2042274 7.08259649 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35619-65-9 65790 170466560 A Tritiozine S=C(c1cc(OC)c(OC)c(OC)c1)N2CCOCC2 Tox21_111860_1 -NCGC00094857-05 196723594 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -59.9329744911 -2.425184117 -62.3581586081 4.9549173134 0.7968769233 0.0084658444 -2.93402355 -4.02150145 -5.88999895 -1.76132876 -4.15200564 -23.68180738 -1.74190785 0 3.12253116 4.55170204 1.68855391 -1.55358311 -3.53747675 -0.72440236 -54.70013913 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52417-22-8 2723598 170465046 A 9-Aminoacridine, monohydrochloride, monohydrate Cl.O.Nc1c3ccccc3nc2ccccc12 Tox21_111187_1 -NCGC00163468-05 196723595 tox21-ror-cho-viability-p1 set3 1.4 0.1333319023 23.1097774919 -0.6097774919 22.5 3.1319983358 0.9345844422 0.0000779459 -0.00993762 4.09719429 -3.00814791 -2.30135837 0.07923113 -2.53508269 3.53563728 13.33590173 27.62759667 20.55113025 25.28504632 19.7605588 18.1955949 22.26244876 -2.3876173 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-07-7 5746 170464814 A Mitomycin C NC(=O)OC[C@@H]3C=1C(=O)C(N)=C(C)C(=O)C=1N2C[C@@H]4N[C@@H]4[C@@]23OC Tox21_111493_1 -NCGC00259204-01 196721960 tox21-ror-cho-viability-p1 set3 4 -0.90343466 0.60321774 6.64809265 -1.54118551 1.14974145 -1.39447252 -0.69097858 -1.85925567 -1.23521314 -0.37060475 -2.29934693 -0.98969529 0.18354119 -0.98933234 4.02795089 1.163E-9 2.5999999999E-9 5.813E-9 1.2999999999E-8 2.9069999999E-8 6.499E-8 1.453E-7 3.25E-7 7.266E-7 0.000001625 0.0000036329999999 0.000008124 0.00001817 0.000040619999999 0.00009083 7481-89-2 24066 144208853 A A 2',3'-Dideoxycytidine NC1=NC(=O)N(C=C1)[C@H]2CC[C@@H](CO)O2 Tox21_201655 -NCGC00259744-01 196721560 tox21-ror-cho-viability-p1 set3 4 24.6834119973 13.8767499679 -8.8767499679 5 4.9549173134 0.7469915403 0.0204943564 -12.41256482 -9.8911061 -8.11480527 -6.95359338 -3.76498925 -6.70583392 -13.64729164 -11.34223973 -7.37636314 -5.87301797 -11.15294632 -11.63125846 -7.05022642 5.99950568 3.42185272 1.194E-9 2.67E-9 5.9699999999E-9 1.335E-8 2.985E-8 6.675E-8 1.493E-7 3.337E-7 7.463E-7 0.000001669 0.0000037309999999 0.0000083439999999 0.00001866 0.00004172 0.00009329 139-13-9 8758 144209393 A A Nitrilotriacetic acid OC(=O)CN(CC(=O)O)CC(=O)O Tox21_202195 -NCGC00259884-01 196721567 tox21-ror-cho-viability-p1 set3 1.1 25.2550768216 109.6633215823 -6.6841607263 102.979160856 2.5884283767 0.9698143367 5.023E-7 -5.00741928 -3.31027162 0.63001796 6.01445116 -3.16867271 -10.91097029 -14.5598873 -13.18694485 -12.45975783 -15.97353821 -7.85105163 3.60312349 28.82310889 82.75274094 97.51814475 1.2169999999E-9 2.722E-9 6.086E-9 1.361E-8 3.0429999999E-8 6.804E-8 1.521E-7 3.402E-7 7.607E-7 0.0000017009999999 0.0000038039999999 0.000008505 0.000019019999999 0.00004252 0.00009509 51-21-8 3385 144209533 D 5-Fluorouracil FC1=CNC(=O)NC1=O Tox21_202335 -NCGC00091483-03 196721954 tox21-ror-cho-viability-p1 set3 4 -5.64266202 -4.19297127 -3.79322722 -7.13675829 -3.80324723 -3.74907848 -4.68427914 -3.30627541 -4.94085678 -1.90219674 -3.97272672 -2.85376747 -3.55242751 -3.12485979 -3.86391489 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00256325-01 196718168 tox21-ror-cho-viability-p1 set2 -1.2 1.7228934059 -54.2636640173 2.2376310669 -52.0260329504 0.6999999999 0.9105698369 0.0001829961 0.03698921 -0.54946469 1.22561781 0.53346859 0.94742443 -4.60957852 0.98169512 -7.36759227 -26.37258256 -31.48956088 -27.55477815 -25.78496274 -46.0702449 -56.39807152 -44.35886885 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 97-74-5 7347 144213197 B B Tetramethylthiuram monosulfide CN(C)C(=S)SC(=S)N(C)C Tox21_302880 -NCGC00256343-01 196718159 tox21-ror-cho-viability-p1 set2 4 -2.18400813 -0.33243444 -2.19286275 -0.18779018 -2.81030375 -1.94921857 -8.21752857 0.60963677 -3.3968749 -2.39072445 0.77896244 -0.50546405 0.50310174 -0.65446443 -0.04140437 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-89-2 6046 144213184 A A N-Nitrosomorpholine O=NN1CCOCC1 Tox21_302867 -NCGC00257032-01 196718169 tox21-ror-cho-viability-p1 set2 -2.2 61.130564862 -51.1706511664 -3.407289208 -54.5779403744 3.0654483358 0.9326923889 0.0000418178 -4.80487621 0.31417062 -4.2407594 0.46068688 -7.43294506 -3.43625377 -5.4538558 -5.6651529 -3.48765496 -1.6335885 0.83202816 -0.76592828 -9.6024487 -14.12382322 -43.24086392 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-72-4 7573 144213519 A C N-Isopropyl-N'-phenyl-p-phenylenediamine CC(C)Nc1ccc(cc1)Nc2ccccc2 Tox21_303202 -NCGC00256732-01 196718561 tox21-ror-cho-viability-p1 set2 4 4.3277125691 6.247005692 -5.247005692 1 3.9294729863 0.5876818883 0.1071447113 -3.41684274 0.17887565 -3.1223772 -5.40819956 -8.33151702 -7.16532416 -5.58301489 -5.99278353 -8.53917141 -7.65086522 -2.5245904 -0.1264228 2.38522849 -1.33189426 1.78201064 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 502-47-6 10402 144213011 A A Citronellic acid O=C(O)CC(C)CC\C=C(/C)C Tox21_302694 -NCGC00256805-01 196718564 tox21-ror-cho-viability-p1 set2 4 2.47159161 2.80342264 2.89331609 2.19653642 0.69373134 -0.04379888 0.25579809 1.32936394 1.24715269 1.25915009 3.52588321 3.89871548 2.6884844 7.508831 0.24219542 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 25209-66-9 91333 144212961 A A N,N-Bis(2-hydroxyethyl)formamide O=CN(CCO)CCO Tox21_302644 -NCGC00256569-01 196718983 tox21-ror-cho-viability-p1 set2 4 19.3311819617 -10.163793344 0 -10.163793344 4.9549173134 0.9014577423 0.0003061259 -1.1274321 0.05728872 -0.49724164 0.08722154 0.2420068 -0.57667003 -0.44586524 -0.34998376 -0.99166911 -0.05881117 -0.72010768 2.81977146 -5.11247014 -11.80316112 -8.35434602 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-91-0 68570 144213948 A A 17alpha-Estradiol Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@H](O)CC[C@@H]12)c4cc3 Tox21_303644 -NCGC00257103-01 196718985 tox21-ror-cho-viability-p1 set2 4 0.18067539 1.84510931 2.34587251 0.95987026 1.03901073 7.01710211 0.44517612 6.55233934 4.95664623 -1.0165974 5.67989065 1.15440131 3.63153116 -1.29536129 1.0075189 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 719-32-4 12868 144213415 F 2,3,5,6-Tetrachlorobenzene-1,4-dicarbonyl dichloride Clc1c(C(Cl)=O)c(Cl)c(Cl)c(C(Cl)=O)c1Cl Tox21_303098 -NCGC00256850-01 196718989 tox21-ror-cho-viability-p1 set2 4 0.70627554 2.10587142 -0.2177354 0.21203091 0.11063674 6.16804297 3.65698932 6.24483207 0.75209952 4.02422351 0.52010737 -1.0811266 0.0472339 0.72421463 2.30325735 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 16587-71-6 27941 144212777 A A 4-(tert-Pentyl)-cyclohexanone CCC(C)(C)C1CCC(=O)CC1 Tox21_302460 -NCGC00091468-02 196718174 tox21-ror-cho-viability-p1 set2 4 -5.93165292 -2.01362506 -3.05855242 3.41766976 -6.93372946 -4.10190449 -0.72945517 -4.13689853 -3.29629542 -1.17907358 -10.68552897 -1.2305487 0.25991294 -6.22520995 0.00914331 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00027930-07 196716936 tox21-ror-cho-viability-p1 set2 4 -5.41916597 -6.94855923 -3.56101177 -2.44274304 0.25780626 -2.40196816 -1.92865086 -2.26813039 -3.2554693 -1.67235394 1.14214742 -4.06449594 -3.21494367 -5.61030353 1.20646565 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71320-77-9 4235 170465663 A Moclobemide Clc1ccc(cc1)C(=O)NCCN2CCOCC2 Tox21_110971_1 -NCGC00016961-06 196717362 tox21-ror-cho-viability-p1 set2 4 14.9600854925 -23.8920776559 3 -20.8920776559 1.34431 0.8823940281 0.0007192063 0.27040644 -0.31851654 2.99961618 2.70490839 3.86560854 6.63151406 7.00224171 5.77236956 1.44741196 1.24621065 0.07152164 -0.94873215 -5.61241503 -9.04191615 -19.07673138 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 95233-18-4 74989 170464681 A Atovaquone Clc1ccc(cc1)[C@H]2CC[C@@H](CC2)C=4C(=O)c3ccccc3C(=O)C=4O Tox21_110714_1 -NCGC00018171-06 196717773 tox21-ror-cho-viability-p1 set2 4 0.63264193 -3.33919499 -1.67040161 0.09810808 1.33303193 -1.78479528 1.20324494 -1.73611237 -4.48259616 -7.37233607 -2.38926478 -2.29553659 -8.46025457 -4.47805474 -0.44242981 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3485-62-9 19004 170464768 A Clidinium bromide [Br-].OC(c1ccccc1)(c2ccccc2)C(=O)OC4C[N+]3(C)CCC4CC3 Tox21_110535_1 -NCGC00257136-01 196718177 tox21-ror-cho-viability-p1 set2 4 1.39062722 -0.49427147 -0.37176635 -0.30365979 0.71691526 3.05372795 1.09940765 4.71260258 1.06732353 1.50744119 1.52299933 3.09900113 1.40232133 3.91718638 2.33390809 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 460-00-4 9993 144213622 F Fns 1-Bromo-4-fluorobenzene Fc1ccc(Br)cc1 Tox21_303305 -NCGC00256551-01 196708016 tox21-ror-cho-viability-p1 set1 4 5.88604534 1.52414491 2.79284092 2.14378758 -2.03336888 5.26159921 -3.00117503 2.60252806 6.11552624 -0.61363431 4.17096378 -2.3868801 6.20195565 0.16083147 -1.70050491 3.48E-10 7.782E-10 1.74E-9 3.891E-9 8.6999999999E-9 1.945E-8 4.3499999999E-8 9.727E-8 2.1749999999E-7 4.864E-7 0.000001088 0.0000024319999999 0.0000054379999999 0.000012159999999 0.00002719 542-56-3 10958 144213180 Fns Isobutyl nitrite CC(C)CON=O Tox21_302863 -NCGC00256411-01 196708004 tox21-ror-cho-viability-p1 set1 -2.2 27.3060203028 -36.994174152 -5.292176512 -42.286350664 0.4 0.7871944534 0.0102861284 -7.89625156 -5.12064687 -5.12558483 -4.82681376 -7.91139797 -10.20593012 -6.63950664 -14.58040358 -16.48069541 -19.66392483 -7.15726282 -19.30593819 -17.58656503 -28.50018295 -31.90529222 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 860-22-0 5284351 144213049 C Fns C.I. Acid Blue 74 [Na+].[Na+].[O-]S(=O)(=O)c1cc2C(=O)C(\Nc2cc1)=C4/Nc3ccc(cc3C4=O)S([O-])(=O)=O Tox21_302732 -NCGC00256413-01 196708011 tox21-ror-cho-viability-p1 set1 4 -4.60789942 -15.42247709 -13.59874506 -18.9212057 -6.98051685 -9.32688222 -12.38769845 -8.84423679 -4.4493529 -21.78628386 -18.36353515 -16.79307426 -12.06733986 -18.45998287 -12.07492707 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.589E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.000008236 0.00001842 0.000041179999999 0.00009208 3778-73-2 3690 144213092 A A Ifosfamide O=P1(NCCCl)OCCCN1CCCl Tox21_302775 -NCGC00256936-01 196708012 tox21-ror-cho-viability-p1 set1 4 68.5896218971 11.9681764199 -2.9681764199 9 4.5044702849 0.5754251212 0.1170099792 -3.15948417 -0.9527988 -7.47348035 -1.39758514 0.19114662 -0.47454592 -3.82077831 -2.422186 -2.58816426 -5.89427373 -4.88514201 -1.07142911 -4.41934135 -1.86200972 6.52127298 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-18-2 61057 144213475 A 2,6,8-Trimethyl-4-nonanone CC(C)CC(C)CC(=O)CC(C)C Tox21_303158 -NCGC00091253-05 196708022 tox21-ror-cho-viability-p1 set1 4 -1.32931777 -1.18155716 -0.79294282 -0.19301746 -0.60509173 1.9766896 3.52024253 -1.77346403 2.24541865 -1.71747135 2.28313014 3.11700592 6.98387343 2.03216697 2.91952873 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.000001608 0.000003595 0.000008038 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00257016-01 196708024 tox21-ror-cho-viability-p1 set1 4 -22.50550665 -15.89494386 -23.18377126 -15.78027216 -19.77596168 -20.59857242 -23.45086757 -23.25742218 -26.84618963 -21.45670935 -22.12217289 -8.41762366 -23.75925268 -17.9453448 -13.18439578 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 75-86-5 6406 144213573 D 2-Hydroxy-2-methylpropanenitrile N#CC(C)(C)O Tox21_303256 -NCGC00259062-01 196708420 tox21-ror-cho-viability-p1 set2 4 -3.16659227 -0.05293973 2.18824123 0.15720031 -0.16627018 2.69351548 0.87999968 1.44873106 -0.40886127 0.44313896 0.49778673 2.77820373 0.60001317 -0.27890247 -0.0763511 1.198E-9 2.6779999999E-9 5.988E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.485E-7 0.0000016739999999 0.000003742 0.000008368 0.00001871 0.00004184 0.000093559999999 141-05-9 5271566 144208710 A Fc Diethyl maleate O=C(\C=C/C(=O)OCC)OCC Tox21_201512 -NCGC00259799-01 196708426 tox21-ror-cho-viability-p1 set2 4 2.16378498 1.72112325 1.66018882 0.31855875 -1.76444695 2.47062692 1.28407701 1.42409381 1.77392293 5.70606093 0.07095245 0.04420425 2.33630285 3.92912516 1.92709119 1.165E-9 2.6039999999E-9 5.824E-9 1.302E-8 2.912E-8 6.5109999999E-8 1.456E-7 3.256E-7 7.28E-7 0.000001628 0.00000364 0.000008139 0.0000182 0.00004069 0.000090999999999 10265-92-6 4096 144209448 A A Methamidophos NP(=O)(OC)SC Tox21_202250 -NCGC00016000-13 196705954 tox21-ror-cho-viability-p1 set1 -2.1 70.1970324498 -111.825802177 -6.710977877 -118.536780054 3.5117481694 0.7995490061 0.0080041728 7.30918782 2.59626971 3.89825947 3.7702442 4.87742432 0.25029909 -10.64955503 -13.1424522 -25.26677318 -28.42859539 -10.14622297 -9.99723724 -14.56415865 -23.32074962 -89.80059095 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00259657-01 196705556 tox21-ror-cho-viability-p1 set1 4 9.01079292 -3.04928701 7.73877805 0.28873614 0.2415807 -2.44928595 0.13787926 0.18867467 -8.85459812 7.07479427 0.31432853 2.00616858 4.49824043 3.58925768 -1.81733013 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.000092909999999 92-52-4 7095 144209306 A A Biphenyl c1cc(ccc1)c2ccccc2 Tox21_202108 -NCGC00259501-01 196705557 tox21-ror-cho-viability-p1 set1 4 -3.00700841 -1.88987225 -15.13160332 5.0814182 -5.89902832 -3.14930133 0.52355754 0.84217245 0.06843027 -16.72714194 3.256941 2.04201352 -6.06483966 -0.6319092 1.51451848 1.1839999999E-9 2.647E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.619E-8 1.4799999999E-7 3.309E-7 7.4E-7 0.000001655 0.0000037 0.0000082729999999 0.0000185 0.00004137 0.0000925 122-20-3 24730 144209150 A A Triisopropanolamine CC(O)CN(CC(C)O)CC(O)C Tox21_201952 -NCGC00259538-01 196705951 tox21-ror-cho-viability-p1 set1 4 0.32559705 -8.53692386 1.88383542 9.0494341 3.43601503 1.45463265 -0.42572536 2.54283156 9.61021303 14.82192955 2.17514398 1.25439322 3.75402817 0.57405806 3.84582754 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.4699999999E-7 3.2859999999E-7 7.3479999999E-7 0.000001643 0.000003674 0.0000082159999999 0.00001837 0.00004108 0.00009185 123-99-9 2266 144209187 A A Nonanedioic acid O=C(O)CCCCCCCC(=O)O Tox21_201989 -NCGC00259057-01 196705964 tox21-ror-cho-viability-p1 set1 4 0.1518369297 -23.2220097519 9 -14.2220097519 0.2 0.5067554552 0.1727642724 0.72076612 7.52020817 -1.82258719 0.43661748 -1.26096152 -5.60243918 -2.11687763 0.26034869 0.93685645 -13.51834146 -8.28408861 -1.25423078 -7.48128968 -9.04710777 -10.2894591 1.1689999999E-9 2.615E-9 5.8469999999E-9 1.3069999999E-8 2.9239999999E-8 6.537E-8 1.462E-7 3.269E-7 7.309E-7 0.0000016339999999 0.0000036549999999 0.000008172 0.00001827 0.00004086 0.000091359999999 98319-26-7 57363 144208704 A A Finasteride CC(C)(C)NC(=O)[C@H]4CC[C@@H]3[C@]4(C)CC[C@H]1[C@H]3CC[C@H]2NC(=O)C=C[C@]12C Tox21_201506 -NCGC00159455-09 196726263 tox21-ror-cho-viability-p1 set3 -2.2 29.8492948118 -48.18608741 -0.447326876 -48.633414286 2.5884283767 0.8047228935 0.007186477 0 -1.51539965 -0.57202736 -1.51150264 7.25098521 1.3051774 5.34158394 -14.18037934 -1.40513755 0.73975953 -0.31064941 1.43141059 -6.96047451 -11.52865308 -37.22228355 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 184475-35-2 123631 170464828 A Gefitinib Fc1ccc(cc1Cl)Nc2ncnc3cc(OC)c(cc23)OCCCN4CCOCC4 Tox21_111683_1 -NCGC00015208-19 196704245 tox21-ror-cho-viability-p1 set1 4 33.4914596268 11.9456627519 -0.9456627519 11 4.0949729863 0.6330714007 0.0759147798 -1.66467808 -1.85265289 -1.42600124 -0.1531599 0.64155241 -4.91271608 -4.95471896 0.6502787 0.68092249 -1.21692526 0.29860935 0.16378138 1.38344925 0.29688052 8.57942769 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69-22-7 6241 170464929 A Caffeine O=C(O)C(O)(CC(=O)O)CC(=O)O.O=C2c1n(C)cnc1N(C)C(=O)N2C Tox21_110099_1 -NCGC00168342-02 196726678 tox21-ror-cho-viability-p1 set3 4 -0.05323267 0.05967651 -3.94399943 -4.3126206 -3.3875501 -6.003952 -4.94869329 -4.52396767 -2.18544618 -0.4022941 -0.13148478 0.86283269 0.43578121 -0.03102213 -4.59692023 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00016643-09 196725854 tox21-ror-cho-viability-p1 set3 4 4.17379883 0.04624016 0.28386762 0.2872578 -2.5930684 -0.1780477 -0.65374644 -0.93653912 0.19488168 -0.15753354 -0.21447561 -0.00184575 -3.89363237 -1.07560011 6.13581648 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3902-71-4 5585 170465339 A Trioxsalen Cc1oc2c(C)c3OC(=O)C=C(C)c3cc2c1 Tox21_110541_1 -NCGC00257176-01 196726673 tox21-ror-cho-viability-p1 set3 4 -0.24858429 -0.07724579 -0.13518941 4.10352339 -0.19169293 -2.69037602 0.75195307 0.5428281 0.15305493 -1.52775429 0.46231879 -4.18619533 -1.50205389 3.17577806 -0.07456083 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 384-22-5 9795 144213374 A A 1-Nitro-2-(trifluoromethyl)benzene O=[N+]([O-])c1ccccc1C(F)(F)F Tox21_303057 -NCGC00257402-01 196726689 tox21-ror-cho-viability-p1 set3 4 -1.95268675 2.79086485 2.82959372 1.47436628 3.85078578 1.09016613 0.95852679 4.07290594 0.94534176 -0.98058318 -0.69195968 -2.79037916 1.92769441 -0.88003555 -2.20665005 1.056E-9 2.3609999999E-9 5.279E-9 1.18E-8 2.6399999999E-8 5.902E-8 1.32E-7 2.9509999999E-7 6.599E-7 0.000001476 0.0000032999999999 0.0000073779999999 0.000016499999999 0.00003689 0.000082489999999 53-16-7 5870 144213953 A A Estrone Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)C(=O)CC[C@@H]12)c4cc3 Tox21_303651 -NCGC00256461-01 196726691 tox21-ror-cho-viability-p1 set3 4 0.0216899429 4.0186069759 -3.0186069759 1 4.9549173134 0.4261435541 0.2519173539 -0.19159118 -1.98624996 -6.68217248 -2.59644559 0.40198222 -0.51825594 2.57856659 2.32814215 1.75308144 3.43155617 2.13893561 -1.52446969 -1.14717328 0.28662534 -1.24011564 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 619-17-0 12076 144213259 A A 4-Nitroanthranilic acid OC(=O)c1ccc(cc1N)[N+]([O-])=O Tox21_302942 -NCGC00257262-01 196727090 tox21-ror-cho-viability-p1 set3 4 -2.5016867 -3.47914605 0.03646156 -1.74184946 1.83890631 0.10809094 -2.1266891 -4.03428986 -4.30866108 -3.5636671 -2.53672127 0.34102324 1.19864541 1.00625709 -3.09436977 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4433-79-8 78170 144213794 A C N-(4-Chloro-2,5-dimethoxyphenyl)-3-oxobutanamide COc1cc(NC(=O)CC(C)=O)c(cc1Cl)OC Tox21_303485 -NCGC00168342-02 196727092 tox21-ror-cho-viability-p1 set3 4 6.075775472 5.1110081599 -2.1110081599 3 4.9549173134 0.414229573 0.2606605711 1.09053807 -2.69148841 -2.27946447 -4.66642803 -2.784997 -3.33316221 -4.27438423 -1.96510689 1.05768046 3.30169586 -6.3425068 5.25864817 1.7919077 1.51128767 3.63964632 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00256935-01 196727095 tox21-ror-cho-viability-p1 set3 4 0.2594275 -0.90099651 1.77626776 -1.71700145 -0.19627853 0.87656701 -1.09815414 -2.46873341 0.73012844 -0.47097883 -0.19220159 -3.31190965 -1.99443156 -3.31526862 1.39865838 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 645-62-5 12582 144213460 F F 2-Ethyl-2-hexenal CCC(=CCCC)C=O Tox21_303143 -NCGC00257168-01 196727097 tox21-ror-cho-viability-p1 set3 4 2.19460107 0.64529112 -1.04816468 -2.05939976 -1.2493195 -0.43936019 -1.01669127 0.62012862 2.17555849 0.54363055 -1.25396265 2.25049664 -0.69989611 1.56428207 -1.81902365 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-92-6 8497 144213567 A A 3-Nitrobenzoic acid O=[N+]([O-])c1cc(ccc1)C(=O)O Tox21_303250 -NCGC00094854-07 196723196 tox21-ror-cho-viability-p1 set3 4 0.59490807 -0.1752984 -0.35569119 -1.72906599 6.58146909 -0.28318034 -2.78277893 0.14668277 3.67247143 2.98677012 9.71044204 13.66843361 -3.49638811 4.48114618 2.47117855 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97-59-6 204 170465460 Z Allantoin O=C1NC(=O)NC1NC(=O)N Tox21_110395_1 -NCGC00254676-01 196699507 tox21-ror-cho-viability-p1 set1 -1.1 1.9017068744 -95.0278489293 1.6073048999 -93.4205440294 4.9549173134 0.9982353003 0.023210528 -0.60488293 3.40492234 2.44573316 2.80188631 3.18339505 2.86571028 -0.82215874 1.9130094 -0.443832 -26.60900585 -73.91755247 -17.63142612 -94.22703055 -95.52202866 -90.94392226 1.164E-9 2.602E-9 5.819E-9 1.301E-8 2.909E-8 6.506E-8 1.4549999999E-7 3.253E-7 7.274E-7 0.0000016259999999 0.0000036369999999 0.000008132 0.00001818 0.000040659999999 0.00009092 133-06-2 8606 144211089 A A Captan ClC(Cl)(Cl)SN2C(=O)C1CC=CCC1C2=O Tox21_300772 -NCGC00253640-01 196723202 tox21-ror-cho-viability-p1 set3 4 -0.18230495 -0.47757961 1.56737273 2.6511479 -1.61975183 1.31171401 5.69707582 3.1125124 -11.45065783 -0.10414606 -0.23458138 2.14668107 -6.73196091 -3.81721788 8.5108084 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4965-33-7 138395 170466759 A A 7-Chloro-2-methylquinoline Clc1cc2nc(C)ccc2cc1 Tox21_113767 -NCGC00274083-01 196723188 tox21-ror-cho-viability-p1 set3 4 4.01088078 2.24498593 -1.74482287 -0.86609549 0.26601055 2.53037677 0.39901886 -0.33024889 9.85329143 7.93970343 3.90466453 2.06864617 4.10105257 -6.08962706 21.12575446 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 107097-80-3 60182 170465971 A A Loxiglumide Clc1ccc(cc1Cl)C(=O)NC(CCC(=O)O)C(=O)N(CCCCC)CCCOC Tox21_113968 -NCGC00159459-04 196723201 tox21-ror-cho-viability-p1 set3 4 -11.14712486 -11.21434647 -10.61311194 -5.23453049 -9.97576577 -1.04941343 -11.7808306 -0.55536469 4.78088216 -7.72729619 -14.78219944 -21.65288625 -20.43643998 -19.18257643 -12.04060278 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 128794-94-5 5281078 170464859 A Mycophenolate mofetil Oc3c1C(=O)OCc1c(C)c(OC)c3C\C=C(/C)CCC(=O)OCCN2CCOCC2 Tox21_111686_1 -NCGC00166290-03 196723207 tox21-ror-cho-viability-p1 set3 4 5.3080386368 -13.345331884 1.5 -11.845331884 1.6266150999 0.7007491331 0.0379248387 -1.24268037 0.68660557 0.25420045 10.24801134 -1.64021322 -0.4110166 0.93787427 1.79024209 -0.16191421 1.16124746 -0.40059286 -0.70643651 -11.53777657 -9.03428342 -11.0896888 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3055-99-0 656641 170466791 F Polyoxyethylene (9) lauryl ether CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO Tox21_112394_1 -NCGC00091861-07 196723208 tox21-ror-cho-viability-p1 set3 2.4 29.8492948118 36.022214004 -1.522214004 34.5 3.6772481694 0.8268771799 0.0042867277 0.99836947 5.24008312 -3.39307424 -0.36539796 -2.00996248 -2.5156858 -1.32392719 -11.26851167 -1.0680152 -4.40777042 0.7633604 -0.20736634 2.15442231 5.88649668 28.49013404 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4342-03-4 5281007 170464655 A Dacarbazine CN(C)/N=N/c1ncnc1C(N)=O Tox21_111171_1 -NCGC00274070-01 196723604 tox21-ror-cho-viability-p1 set3 2.4 23.7101376556 18.71323696 1.28676304 20 3.1319983358 0.7455072168 0.0209746646 -1.10651501 5.08246388 -1.40231365 0.32044126 3.1947966 -1.00526308 -0.68630254 -3.5110308 4.0190584 3.98940206 4.26404419 3.88530044 -0.12257979 8.79927086 17.91923499 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82834-16-0 107807 170464836 A Perindopril O=C(OCC)[C@H](CCC)N[C@@H](C)C(=O)N1[C@@H](C[C@@H]2CCCC[C@H]12)C(=O)O Tox21_113087_1 -NCGC00022858-08 196723605 tox21-ror-cho-viability-p1 set3 2.4 29.8492948118 34.953837208 1.046162792 36 1.6266150999 0.7231912163 0.0285428317 -0.37863568 3.79451328 -0.71601916 1.12092396 2.73090476 0.80561041 2.58751922 2.86369383 -2.63550864 7.85373958 -9.54486434 6.6991934 9.21361942 9.9487546 26.95193043 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15826-37-6 27503 170464887 F Sodium cromoglycate [Na+].[Na+].[O-]C(=O)C=4Oc3cccc(OCC(O)COc1cccc2OC(=CC(=O)c12)C([O-])=O)c3C(=O)C=4 Tox21_110863_1 -NCGC00090962-05 196723610 tox21-ror-cho-viability-p1 set3 4 10.8044264219 -18.0797597 -1.5 -19.5797597 1.9673362061 0.9285155848 0.0000577724 -0.34917156 -4.73178539 -2.26435271 -3.30506946 -3.63460693 0.74941837 1.05997233 -0.26559739 0.0100554 -3.72946895 -4.13809578 -7.57807459 -15.02968511 -19.64979975 -17.48031596 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00016879-06 196723614 tox21-ror-cho-viability-p1 set3 4 0.0298492948 -9.034543316 0 -9.034543316 4.9549173134 0.347512629 0.3377602626 -2.39647444 -2.67731146 0.34923861 1.55949436 2.65525365 -4.91768405 -18.86249806 -23.36211943 -1.65138306 -5.68499925 -2.13026555 -6.64306682 -10.19476735 -4.66932399 -0.93896241 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56211-40-6 41781 170465279 A Torsemide O=S(=O)(NC(=O)NC(C)C)c2cnccc2Nc1cc(C)ccc1 Tox21_110662_1 -NCGC00016799-08 196723625 tox21-ror-cho-viability-p1 set3 4 1.0590929458 -7.810606084 0.5 -7.310606084 3.0654483358 0.3191848324 0.3646176123 0.45563068 -2.43754664 1.50509922 -3.7096941 11.72120864 -7.13788672 -1.4970474 8.874645 -4.13322348 -0.56186745 -7.30294541 -8.17550507 -5.5440221 -6.46071174 12.71495887 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27470-51-5 5362 170465972 A Suxibuzone O=C(O)CCC(=O)OCC2(CCCC)C(=O)N(c1ccccc1)N(C2=O)c3ccccc3 Tox21_110615_1 -NCGC00254784-01 196719878 tox21-ror-cho-viability-p1 set3 4 -2.92682671 4.25876076 2.58934429 3.98200015 9.62661991 -1.85944485 -0.2213281 10.86176112 7.02459758 -2.37864519 2.27549258 -4.2013172 8.56426405 5.43320316 3.84789762 1.482E-9 3.315E-9 7.412E-9 1.657E-8 3.706E-8 8.286E-8 1.8529999999E-7 4.143E-7 9.2649999999E-7 0.000002072 0.000004632 0.000010359999999 0.00002316 0.00005179 0.0001158 111-29-5 8105 144211197 A A 1,5-Pentanediol OCCCCCO Tox21_300880 -NCGC00253982-01 196720667 tox21-ror-cho-viability-p1 set3 -2.4 27.3060203028 -26.329764296 -1.5 -27.829764296 4.9549173134 0.7368533442 0.0302553383 -2.72149273 -8.05221617 1.27241618 2.5709095 -1.52872637 1.95240986 -3.13705669 2.41152393 -3.3739037 -10.57089319 -0.25568706 1.13811253 -2.61370472 -26.52480358 -0.07343844 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 298-46-4 2554 144210515 A A Carbamazepine NC(=O)N2c3ccccc3C=Cc1ccccc12 Tox21_300195 -NCGC00254157-01 196720673 tox21-ror-cho-viability-p1 set3 -1.2 24.2128237097 -50.4957104439 3.498352942 -46.9973575019 4.0949729863 0.9289506028 0.0000555489 -1.4546382 -0.23721361 -1.00318428 -0.83261308 -0.68510793 6.30434341 10.5534761 12.11435893 7.85759309 2.43510751 7.94670903 -2.59698989 -9.58449822 -40.37353311 -47.91858223 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.938E-8 6.568E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.000041049999999 0.0000918 75330-75-5 53232 144210588 A B Lovastatin C[C@@H](CC)C(=O)O[C@H]2C[C@@H](C)C=C3C=C[C@H](C)[C@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@@H]23 Tox21_300268 -NCGC00256785-01 196719455 tox21-ror-cho-viability-p1 set2 4 2.30366832 1.16812178 2.36051454 1.67417183 1.61186767 4.29382739 4.18092841 0.7898692 3.61092634 5.05065118 8.21776042 5.59713358 2.4657163 3.86270339 1.7169325 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-06-1 8159 144212932 F Fc Heptyl acetate CCCCCCCOC(C)=O Tox21_302615 -NCGC00257066-01 196719460 tox21-ror-cho-viability-p1 set2 4 2.52015481 0.14972951 0.275974 2.8130538 -1.23913981 0.15282099 1.78539858 -0.62335514 -9.99627455 0.8464651 2.88491834 0.84585248 1.76035738 3.61112784 1.21419961 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1852-16-0 15817 144213438 A A N-(Butoxymethyl)acrylamide CCCCOCNC(=O)C=C Tox21_303121 -NCGC00257423-01 196719461 tox21-ror-cho-viability-p1 set2 4 1.35968782 0.56358129 1.53630294 1.20875354 0.13140867 5.71981205 4.97982291 2.60244824 5.62470403 5.92420883 5.05196819 6.89495987 3.41628313 2.01165884 3.07387062 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 125-12-2 637531 144213863 A A Isobornyl acetate CC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C Tox21_303558 -NCGC00254994-01 196719886 tox21-ror-cho-viability-p1 set3 -2.2 24.3365162115 -44.1483837924 -0.325757825 -44.4741416174 1.4780888099 0.9119878741 0.0001688815 3.36798034 2.02212753 1.61615616 -10.9545551 1.67865924 -1.5396006 2.51840916 -1.13412232 -2.13954601 -0.70988635 3.15428945 -10.9270419 -19.55097241 -28.08037906 -39.88959791 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68157-60-8 93379 144211411 A A Forchlorfenuron Clc2cc(NC(=O)Nc1ccccc1)ccn2 Tox21_301094 -NCGC00254298-01 196720284 tox21-ror-cho-viability-p1 set3 4 0.0043277126 11.506891568 -13.006891568 -1.5 4.9549173134 0.6434464447 0.0684478634 -10.81978649 -14.17240964 -2.84681228 1.44738256 -5.39610049 -3.02105667 2.48173275 -1.49767243 2.3152485 -1.92062258 -5.69225199 -3.57516173 1.09247746 -0.75335847 -5.27378818 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47299 60196413 144210779 A A CP-422935 CS(=O)(=O)O.CCOc1cccc(c1)[C@@]2(CC[C@@H](C)CC2)N3CCN(CC3)c4ccccc4 Tox21_300461 -NCGC00254211-01 196720302 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -140.2937321626 1.8243564521 -138.4693757105 4.9549173134 0.9778824024 8.48E-8 3.04602005 -1.0690482 0.40284825 -0.16145702 0.07725337 1.31726187 1.6856775 6.2309308 -3.20387747 7.15775515 -5.60363684 -3.87318002 9.04703526 -2.61254141 -112.57672822 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47366 53316382 144210566 A A SAR115740 Fc1cccc(c1)Cn4c5ccc(F)cc5cc4C(=O)Nc2cc3ccnc3cc2 Tox21_300246 -NCGC00254498-01 196720700 tox21-ror-cho-viability-p1 set3 4 -6.87658181 16.48043654 -5.50446259 4.49702847 -2.03407508 -1.01417886 -5.36216578 6.7046094 -4.63299257 -3.30275654 14.36186741 13.99493694 4.24126224 5.88045632 0.99152395 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 206-44-0 9154 144210798 A A Fluoranthene c1cccc4c1c2cccc3cccc4c23 Tox21_300480 -NCGC00164077-02 196720705 tox21-ror-cho-viability-p1 set3 4 6.8589621897 -13.687929164 14.5 0.812070836 4.9549173134 0.6030949748 0.0946593565 12.86040139 11.48093855 1.57644075 18.87333492 17.45322362 18.03090098 12.08382935 19.41598375 14.21940947 13.8247116 19.70598627 3.60556678 -3.48994097 5.09640706 0.98679286 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00259840-01 196721106 tox21-ror-cho-viability-p1 set3 4 27.0840205159 8.1940784119 -0.1940784119 8 4.9549173134 0.4086430143 0.2649933086 -3.91173201 4.57244724 -1.15333766 8.09012529 -0.70248002 -0.69947743 0.00208833 -2.41878456 1.68405728 -1.29479798 -2.95798162 0.4994236 -1.66072347 9.91336066 5.81561553 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.552E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.000003662 0.00000819 0.00001831 0.00004095 0.00009156 100-00-5 7474 144209489 A A 1-Chloro-4-nitrobenzene O=[N+]([O-])c1ccc(Cl)cc1 Tox21_202291 -NCGC00259573-01 196709680 tox21-ror-cho-viability-p1 set2 -3 2.4410782075 -54.3220213512 2.8425500185 -51.4794713327 4.9549173134 0.9727815263 0.0000317285 -0.80317053 -1.26331974 3.45090442 4.9940502 4.33717778 5.48282247 2.41605735 2.33259641 0.63934127 -1.17181537 -47.66617716 -33.52056756 30.93323762 -11.99064524 -82.60070771 1.183E-9 2.6459999999E-9 5.916E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3069999999E-7 7.395E-7 0.0000016539999999 0.0000036979999999 0.000008268 0.000018489999999 0.00004134 0.000092439999999 3524-68-3 19042 144209222 D Pentaerythritol triacrylate O=C(C=C)OCC(COC(=O)C=C)(CO)COC(=O)C=C Tox21_202024 -NCGC00091261-03 196707624 tox21-ror-cho-viability-p1 set1 4 2.72817257 -0.83263998 3.1591477 3.0042451 1.57374879 2.95848681 -1.13898213 1.92686035 2.28505386 -1.95011915 1.97969383 0 -1.36701283 -0.52798458 0.89431144 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00259328-01 196706801 tox21-ror-cho-viability-p1 set1 4 4.15256242 4.06290501 6.49648271 2.39323386 2.98468927 0.20307398 1.16328899 -4.26824835 8.24848805 17.48301527 -3.29843218 2.34002846 1.54611271 -0.88378396 1.76563633 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.33E-7 7.446E-7 0.000001665 0.0000037229999999 0.000008324 0.00001861 0.00004162 0.000093069999999 77-90-7 6505 144208977 A A Acetyl tributyl citrate CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC Tox21_201779 -NCGC00256440-01 196707207 tox21-ror-cho-viability-p1 set1 -2.4 61.130564862 -42.5053905008 -4 -46.5053905008 0.7999999999 0.6311467957 0.0755914261 0.0683537 -4.9792225 -4.5558088 -5.84242808 -0.70809227 -9.33816613 -5.05282376 -7.32637073 -20.73563489 -6.12355801 -12.22505168 -4.53842878 -8.77179912 -22.3502578 -35.23135644 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135-88-6 8679 144213217 A A N-Phenyl-2-naphthylamine c1cc3ccccc3cc1Nc2ccccc2 Tox21_302900 -NCGC00256619-01 196707620 tox21-ror-cho-viability-p1 set1 4 -0.49668345 -1.48170738 0.93044261 -2.65501177 1.85221438 -1.86297 -1.55125842 -3.90813987 -1.40168363 -1.6594988 -1.92407875 -2.5736078 -4.13622761 -3.51561589 1.40239728 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 22694-96-8 31492 144213922 Fns 2,4,5-Trimethyl-3-oxazoline CC1OC(C)N=C1C Tox21_303617 -NCGC00257307-01 196708033 tox21-ror-cho-viability-p1 set1 4 1.2197151236 15.532196412 -14.532196412 1 3.1319983358 0.4697703065 0.2056012322 -1.01395811 -12.65191199 -1.46760795 -15.1306499 -19.63759638 -16.98123886 -16.07594566 -16.67417706 -22.94349701 -17.17925625 -21.92834882 -8.73706519 -3.77933696 2.01212099 0.09992329 1.1799999999E-10 2.638E-10 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.298E-8 7.374E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 563-47-3 11241 144213914 Fns 3-Chloro-2-methylpropene C=C(C)CCl Tox21_303609 -NCGC00257207-01 196708031 tox21-ror-cho-viability-p1 set1 4 4.94524691 3.50857074 -2.20051126 2.1306029 2.33934872 2.2422317 -0.6030951 2.33317036 3.36366122 0.49079311 -0.75739881 -0.5808368 -0.68743456 4.36394344 3.19566294 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 839-90-7 13286 144213556 A A Tris(2-hydroxyethyl) isocyanurate OCCN1C(=O)N(CCO)C(=O)N(CCO)C1=O Tox21_303239 -NCGC00163930-04 196708037 tox21-ror-cho-viability-p1 set1 4 5.35707493 2.81910868 0.36275064 0.46834827 2.28901638 3.316812 5.10750213 3.43354366 8.69912605 1.91247127 2.69566581 2.6238357 2.3188806 2.58076421 4.36241131 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00257058-01 196708044 tox21-ror-cho-viability-p1 set1 4 -3.64532225 -2.54694133 -0.51630394 -4.61833898 -3.2079643 -0.50792929 -2.5888576 -5.23915123 -7.72456127 -6.51434919 -10.92121292 -5.56275682 2.44590867 -3.97894398 -0.05975505 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-96-7 135 144213618 A A 4-Hydroxybenzoic acid OC(=O)c1ccc(O)cc1 Tox21_303301 -NCGC00257043-01 196708048 tox21-ror-cho-viability-p1 set1 4 5.12637426 -0.01773412 0.41195131 -3.56910535 -0.85829637 2.25072382 -1.06496289 -0.81073276 0.64941228 5.28979704 -3.23694398 -9.01854682 0.34617423 -1.93069913 5.75317091 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-08-9 8783 144213383 F F Tris(2-chloroethyl) phosphite ClCCOP(OCCCl)OCCCl Tox21_303066 -NCGC00259260-01 196708451 tox21-ror-cho-viability-p1 set2 -1.2 17.3165758889 -39.5792889968 0.4494744129 -39.1298145839 1.92824246 0.9424123182 0.0000181333 2.89707705 -6.18925682 -7.00781941 1.63017628 0.77804614 2.4769502 1.43891112 1.49263542 -0.17312333 2.16368255 2.01958359 -10.17143892 -18.87807301 -33.71001904 -37.60817882 1.185E-9 2.6499999999E-9 5.9249999999E-9 1.325E-8 2.962E-8 6.6239999999E-8 1.481E-7 3.312E-7 7.406E-7 0.000001656 0.0000037029999999 0.0000082799999999 0.00001852 0.0000414 0.00009258 135-57-9 67271 144208909 A A 2,2'-Dibenzoylaminodiphenyl disulfide O=C(Nc3ccccc3SSc2ccccc2NC(=O)c1ccccc1)c4ccccc4 Tox21_201711 -NCGC00259182-01 196708464 tox21-ror-cho-viability-p1 set2 4 76.1768542058 -10.4320627559 0.5 -9.9320627559 4.9549173134 0.4306682294 0.2459919989 -0.25297776 3.03411467 -4.03234859 0.16011829 0.16237627 6.23986607 0.56265598 0.52473564 -0.93852934 -0.42395891 0.1528169 -0.14509502 -2.25564038 0.43045451 -7.44338563 1.1699999999E-9 2.6159999999E-9 5.851E-9 1.3079999999E-8 2.925E-8 6.5409999999E-8 1.463E-7 3.271E-7 7.3129999999E-7 0.000001635 0.000003657 0.000008176 0.00001828 0.00004088 0.00009141 83-88-5 493570 144208831 A D Riboflavin OC[C@@H](O)[C@@H](O)[C@@H](O)CN2C3=NC(=O)NC(=O)C3=Nc1cc(C)c(C)cc12 Tox21_201633 -NCGC00255954-01 196727940 tox21-ror-cho-viability-p1 set3 4 -3.1457755 1.96426703 2.56957253 0.94803066 -1.36846042 -0.6520011 -3.25271704 1.47587176 0.83158757 -2.18886047 -6.04475886 0.18039121 0.17658745 2.14997229 1.10972351 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-55-0 7148 144212342 A B 1-Phenylpropan-1-one O=C(CC)c1ccccc1 Tox21_302025 -NCGC00256216-01 196727944 tox21-ror-cho-viability-p1 set3 4 0.8634921799 5.962382 -3.462382 2.5 3.9294729863 0.3774434237 0.310971196 0.6946907 -0.85662264 -2.93987723 -1.88788682 -6.38569167 -9.551985 -1.22251014 -3.14469318 -2.8600381 6.48461024 5.5837546 -4.80764199 4.57273177 1.41433597 -1.56401706 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 46728-75-0 23688987 144211620 A A Lithium 3-carboxy-5-sulfobenzoate [Li+].OS(=O)(=O)c1cc(cc(c1)C([O-])=O)C(=O)O Tox21_301303 -NCGC00257498-01 196727525 tox21-ror-cho-viability-p1 set3 4 0.0019331182 -14.956108816 10 -4.956108816 0.7999999999 0.5695062178 0.1209863741 6.80796084 -1.76604321 -1.4750124 0.91177816 -4.46325977 -4.73553012 -1.5440166 -7.06342194 -3.59119516 -4.00813034 0.21726365 -5.61487972 -6.94957704 -7.88009068 -5.90884083 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 588941-45-1 59086459 144213669 A A PharmaGSID_48506 O=C(Nc1cnccn1)[C@H](CC2CCCC2)c3ccc(c(Cl)c3)S(C)(=O)=O Tox21_303352 -NCGC00255218-01 196727931 tox21-ror-cho-viability-p1 set3 -2.1 43.241033765 -78.0955932141 0.592707607 -77.5028856071 2.8472712143 0.9805716689 4.02E-8 4.5728291 4.67679847 1.81907258 2.91783239 -1.0041532 0.36301768 0.06948855 0.80892697 3.50308839 -2.12882666 -2.51722542 -4.11579527 -2.96130437 -25.6307886 -64.39612546 9.733E-10 2.176E-9 4.8659999999E-9 1.088E-8 2.433E-8 5.4409999999E-8 1.2169999999E-7 2.72E-7 6.083E-7 0.00000136 0.0000030409999999 0.000006801 0.00001521 0.000034 0.00007604 145040-37-5 2540 144212519 A F Candesartan cilexetil O=C(OC1CCCCC1)OC(C)OC(=O)c5cccc6nc(OCC)n(Cc2ccc(cc2)c3ccccc3c4nnnn4)c56 Tox21_302202 -NCGC00255943-01 196727945 tox21-ror-cho-viability-p1 set3 4 3.02750508 -4.12988553 -4.21532336 1.47091054 0.18716805 -0.96393036 7.45813949 7.67699884 1.55135732 -4.98659911 7.21417415 2.1044429 -0.59254871 2.15834345 -2.03228749 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-00-9 8500 144212340 A D p-Methylacetophenone Cc1ccc(cc1)C(=O)C Tox21_302023 -NCGC00091011-05 196727946 tox21-ror-cho-viability-p1 set3 1.2 4.8557733675 42.6081933328 0.965364596 43.5735579288 1.21 0.9374771525 0.0000281855 1.47618565 -0.379953 12.65805262 0.0447911 -1.75344022 -5.86219617 3.30898204 1.15369772 5.25831588 9.87931588 21.67540357 25.25753601 38.28111245 38.07208384 42.71917444 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00255629-01 196728344 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -30.7003537039 1.5 -29.2003537039 4.5044702849 0.6508005663 0.0636036263 -0.82274213 -1.6072789 -2.56329784 -1.26337093 -1.92360585 -0.97463412 -2.1928385 4.91383514 2.65894379 0.77946263 2.49231571 15.68929328 3.15758988 -1.28177191 -22.66696142 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21609-90-5 30709 144212220 A F Leptophos Clc2cc(OP(=S)(OC)c1ccccc1)c(Cl)cc2Br Tox21_301903 -NCGC00255507-01 196728341 tox21-ror-cho-viability-p1 set3 4 1.02767856 -3.58685542 4.66454334 -0.12799047 -0.95903366 2.35788365 -0.41241847 -2.34669206 1.48022992 1.94831789 -3.84395527 -4.73508187 -2.73534956 -2.58172006 -0.20353062 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58430-94-7 42745 144212198 A F 3,5,5-Trimethylhexyl acetate O=C(C)OCCC(C)CC(C)(C)C Tox21_301881 -NCGC00090776-02 196728354 tox21-ror-cho-viability-p1 set3 4 0.16185986 2.41525965 -1.39716455 -1.50157715 -2.054498 -1.41807651 -1.24049775 -2.73979593 1.80704682 -3.79130244 0.98398584 -1.40344741 -1.17278559 0.49221037 -1.18074118 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00256068-01 196728359 tox21-ror-cho-viability-p1 set3 4 0 -4.84435246 -5.21402161 4.28136212 6.54347788 -5.94814959 8.49626642 7.42548254 -7.76823581 7.02059761 8.07260428 5.78210235 1.42101644 -12.94033371 4.8170819 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5232-99-5 243274 144211994 A A Ethyl 2-cyano-3,3-diphenylacrylate O=C(OCC)C(\C#N)=C(\c1ccccc1)c2ccccc2 Tox21_301677 -NCGC00255533-01 196728363 tox21-ror-cho-viability-p1 set3 4 2.27486781 -4.10164983 -2.34935675 -1.47028288 3.12920821 -0.69331821 2.5844857 0.19435701 0.7949952 -2.38659458 0.86088602 -3.93752121 -0.87635312 -0.87183204 -1.58368484 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2179-57-9 16590 144212495 F F Diallyl disulfide C=CCSSCC=C Tox21_302178 -NCGC00255454-01 196728366 tox21-ror-cho-viability-p1 set3 4 6.1130564862 -9.7943884679 3.5 -6.2943884679 4.9549173134 0.4975126603 0.1977649597 0 3.68459528 -1.43052001 -1.73015452 4.96018971 5.78403535 7.09613872 8.57513773 -2.79306263 8.10727163 7.48475784 -6.3552431 -6.91199039 -4.18544035 0.71889153 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24017-47-8 32184 144211895 A A Triazophos CCOP(=S)(OCC)Oc1ncn(n1)c2ccccc2 Tox21_301578 -NCGC00254846-01 196698711 tox21-ror-cho-viability-p1 set1 -2.4 61.130564862 -27.3963035599 -1.5 -28.8963035599 2.7202212143 0.9588417507 0.0000029038 -0.24978862 -2.34823418 -1.03470281 -3.29696379 -0.80107132 -2.36863251 -0.23475025 0.09032545 -1.58125799 -0.92482473 -0.1042367 -1.19839177 -4.64770221 -7.7922749 -22.4135863 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121552-61-2 86367 144211261 A A Cyprodinil Cc2cc(nc(Nc1ccccc1)n2)C3CC3 Tox21_300944 -NCGC00254777-01 196698702 tox21-ror-cho-viability-p1 set1 4 5.4482673282 7.1663210159 -1.6663210159 5.5 4.9549173134 0.7010594967 0.0382055891 -2.73864244 -0.19852001 -0.85911632 -3.47193418 0.31925935 -2.57403659 -1.04145925 -0.17035555 -0.81694155 -2.13538441 -1.23296381 5.41435798 4.49244022 1.27096105 9.90412557 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-70-0 7884 144211190 AC Bc 4-Methoxy-4-methyl-2-pentanone CC(=O)CC(C)(C)OC Tox21_300873 -NCGC00254847-01 196698705 tox21-ror-cho-viability-p1 set1 -3 67.9623322576 -106.9237693655 -1.592841633 -108.5166109985 4.9549173134 0.9813734767 3.14E-8 -5.74318267 -1.79189668 -1.03969056 -5.02992696 -2.44094272 0.03657544 -0.02122998 1.83431863 -0.6139979 -1.88960328 -4.31867641 -5.37988384 -3.47195184 -1.89056698 -89.0940977 1.171E-9 2.618E-9 5.854E-9 1.3089999999E-8 2.927E-8 6.545E-8 1.464E-7 3.2729999999E-7 7.3179999999E-7 0.0000016359999999 0.0000036589999999 0.000008182 0.00001829 0.000040909999999 0.000091469999999 NOCAS_34742 9959038 144211262 C C Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3) O[C@@H]3C(C)=C[C@H]5C(=O)O[C@H]1C[C@H](O[C@]2(C1)CC[C@H](C)[C@@H](CC)O2)CC=C(C)C[C@@H](C)C=CC=C4CO[C@H]3[C@@]45O Tox21_300945 -NCGC00090698-04 196698709 tox21-ror-cho-viability-p1 set1 4 13.6854287769 7.7005415959 -0.2005415959 7.5 4.9549173134 0.5797473474 0.1129750283 4.98954972 5.1195474 0.91278647 -3.50045133 0.19789435 -0.68711151 -1.19022487 -0.06707627 -0.21175824 -1.19254313 -2.27454717 -1.2871305 7.10172366 9.74781665 5.055818 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00254641-01 196698716 tox21-ror-cho-viability-p1 set1 4 0.1933118196 -3.3227615679 1.5 -1.8227615679 4.9549173134 0.3459471903 0.3435123212 0.28076716 1.7220963 1.94409861 2.33092149 1.19572301 0.00080681 3.16743387 -6.93563464 -0.18126902 0.39095902 -1.66831987 1.09395375 -6.57976101 -0.86379246 0.62461556 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4376-18-5 20392 144211052 A A Monomethyl phthalate COC(=O)c1ccccc1C(=O)O Tox21_300735 -NCGC00254553-01 196698721 tox21-ror-cho-viability-p1 set1 4 1.28585129 0.2173947 0.93595937 2.28280776 -0.76466298 -2.18665351 -0.14596378 -4.6775854 0.71878023 1.00307975 0.64199351 1.21933175 0.96538438 -0.2644531 -2.11358744 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68359-37-5 104926 144210962 C Cyfluthrin Cl\C(Cl)=C/C3C(C(=O)OC(C#N)c2ccc(F)c(Oc1ccccc1)c2)C3(C)C Tox21_300645 -NCGC00255043-01 196699124 tox21-ror-cho-viability-p1 set1 4 33.4914596268 10.43293834 0.06706166 10.5 4.9549173134 0.6421285825 0.0705459397 5.34277482 -0.48789195 0.69872057 0.15382234 -1.07606932 -1.54571945 -0.52684709 -1.1788859 -1.61078195 0.05668015 -0.52115952 0.65108395 1.27609926 0.32296129 8.79924524 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6385-62-2 115268 144211462 A Ac Diquat dibromide monohydrate [Br-].[Br-].O.c1cccc2c3cccc[n+]3CC[n+]12 Tox21_301145 -NCGC00259952-01 196721997 tox21-ror-cho-viability-p1 set3 4 -6.95666214 -5.05229649 -3.51048916 -0.86796981 -0.99209114 -5.16936247 -5.42210208 -4.71318631 -5.25781864 -2.24217937 -3.63059826 -5.5191657 -4.07171533 1.62934612 0.57262731 1.229E-9 2.748E-9 6.145E-9 1.374E-8 3.073E-8 6.8709999999E-8 1.5359999999E-7 3.435E-7 7.682E-7 0.000001718 0.000003841 0.000008589 0.0000192 0.00004294 0.000096019999999 65-85-0 243 144209601 A A Benzoic acid O=C(O)c1ccccc1 Tox21_202403 -NCGC00258977-01 196721986 tox21-ror-cho-viability-p1 set3 4 30.202177847 12.348385112 -4.348385112 8 4.9549173134 0.6222132523 0.0818938847 -3.9873662 -4.57350425 -3.35417613 5.40457924 -6.60137198 -5.7002026 -6.99084034 -5.02427295 -6.29666212 -2.4863697 -5.45369071 -7.37365426 -6.66646704 6.2983435 7.81836206 1.166E-9 2.6069999999E-9 5.8279999999E-9 1.303E-8 2.9139999999E-8 6.516E-8 1.457E-7 3.2579999999E-7 7.286E-7 0.000001629 0.0000036429999999 0.0000081449999999 0.00001821 0.00004073 0.00009107 87-62-7 6896 144208624 A Fc 2,6-Dimethylaniline Cc1cccc(C)c1N Tox21_201426 -NCGC00259917-01 196721987 tox21-ror-cho-viability-p1 set3 4 0.0308560879 -4.73065042 -1.5 -6.23065042 4.9549173134 0.4242620534 0.2510894727 -4.82219488 -4.41268692 1.29597573 2.19991301 -3.62452263 -9.15327415 -8.06311778 -4.83119268 -9.35887535 -5.01311799 -5.74883537 -6.68664011 -7.07530315 -1.03301836 -6.5824321 1.187E-9 2.6549999999E-9 5.936E-9 1.327E-8 2.968E-8 6.6359999999E-8 1.484E-7 3.318E-7 7.42E-7 0.000001659 0.0000037099999999 0.0000082959999999 0.00001855 0.000041479999999 0.000092749999999 39515-51-0 38284 144209566 A A 3-Phenoxybenzaldehyde O=Cc2cc(Oc1ccccc1)ccc2 Tox21_202368 -NCGC00259702-01 196721995 tox21-ror-cho-viability-p1 set3 4 24.4603135873 7.169780932 -2.169780932 5 2.9022712143 0.3784420716 0.3137385661 -3.40228232 -1.44292057 -0.40231104 -0.07725632 -0.06094935 -4.71178826 0.81417523 -2.5764562 -2.13043731 -6.39148411 -5.88344542 -0.90522557 -0.17031502 3.82971684 -6.77230385 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.626E-8 1.482E-7 3.3129999999E-7 7.408E-7 0.000001656 0.000003704 0.000008282 0.00001852 0.000041409999999 0.000092599999999 136-40-3 8691 144209351 A A Phenazopyridine hydrochloride Cl.Nc2nc(N)ccc2/N=N/c1ccccc1 Tox21_202153 -NCGC00015870-27 196722313 tox21-ror-cho-viability-p1 set3 1.4 0.3349145963 22.0355946359 -15.0355946359 7 4.9549173134 0.7697662119 0.014096841 -7.24059395 -2.81385244 -16.94568676 -22.51794834 -10.45299842 -22.90587724 -12.87953499 -25.86299553 -0.49135762 9.44446848 7.26099323 4.91794649 7.37945995 5.26178109 7.22344154 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6151-25-3 5284452 170466817 A Quercetin O.O.Oc1ccc(cc1O)C=3Oc2cc(O)cc(O)c2C(=O)C=3O Tox21_110761_1 -NCGC00090701-06 196721925 tox21-ror-cho-viability-p1 set3 4 -6.61422605 -3.67029616 -2.97136895 -0.73031028 -4.58511113 -6.08368873 -6.04913163 -6.03165352 -6.00847569 -5.28433931 -6.4343622 -6.1351304 -4.6425001 0.81485066 -1.29584199 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00259794-01 196721926 tox21-ror-cho-viability-p1 set3 4 -16.17364385 -3.20873905 -15.95015072 -5.82527047 -16.70077004 -3.0702081 -12.8989942 -17.62172884 -7.62613401 -3.98444844 -3.5772818 -17.9668867 -15.79576645 -16.84979333 0.11465471 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.481E-7 3.311E-7 7.4029999999E-7 0.000001655 0.000003701 0.0000082769999999 0.00001851 0.00004138 0.00009253 110-63-4 8064 144209443 A A 1,4-Butanediol OCCCCO Tox21_202245 -NCGC00259499-01 196722304 tox21-ror-cho-viability-p1 set3 4 -15.65444352 -11.02606107 -4.64415308 -10.85522614 -11.43894246 -2.16970165 -6.54470023 -18.55561745 -11.12272357 -4.49185698 -15.55778558 -13.80016967 -12.34293272 -10.3647446 -12.29718478 1.1779999999E-9 2.633E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.00000368 0.00000823 0.000018399999999 0.00004115 0.00009201 55268-74-1 4891 144209148 A A Praziquantel O=C2CN(CC1c3ccccc3CCN12)C(=O)C4CCCCC4 Tox21_201950 -NCGC00159337-04 196722325 tox21-ror-cho-viability-p1 set3 4 33.4914596268 -29.2778211839 2 -27.2778211839 2.5884283767 0.6387259018 0.0709620033 -0.0808984 -3.04316924 1.77159198 -0.82401402 -0.7142811 -1.07250404 2.20564958 -0.84987562 11.30612129 8.09790763 7.9209113 2.42816394 -3.82110347 -3.36731502 -19.39818432 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 154598-52-4 64139 170464810 A Efavirenz FC(F)(F)[C@@]3(C#CC1CC1)OC(=O)Nc2ccc(Cl)cc23 Tox21_111582_1 -NCGC00253689-01 196722725 tox21-ror-cho-viability-p1 set3 4 0.10701192 -2.0204199 0.12522242 5.19037908 0.08356072 -0.16334985 0.28996135 -0.24475483 -6.43107379 -4.99172913 -11.69765067 -4.12045793 3.15467444 0.86212864 7.72605391 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66532-85-2 68865 170466215 A F Propacetamol O=C(Oc1ccc(cc1)NC(C)=O)CN(CC)CC Tox21_113811 -NCGC00247719-01 196722737 tox21-ror-cho-viability-p1 set3 2.2 66.2075574579 62.4448535724 -0.760542328 61.6843112444 0.8999999999 0.9449358369 0.0000142225 -0.80916168 -4.21207339 -1.01828018 -0.73337593 -0.25222314 6.39252875 0.08908767 -4.80045194 0.3393689 9.66252092 5.89417872 15.30969595 24.76134625 29.55066148 49.69050122 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.794E-8 1.519E-7 3.397E-7 7.596E-7 0.0000016979999999 0.000003798 0.000008492 0.000018989999999 0.00004246 0.00009495 0.0002123 106133-22-6 6442928 144206435 A A 1-Benzylpiperazine difumarate O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.c1ccccc1CN2CCNCC2 Tox21_112882 -NCGC00253945-01 196720744 tox21-ror-cho-viability-p1 set3 4 0.0024336516 15.313353216 -15.813353216 -0.5 0.7 0.4359560383 0.2554779928 -8.06187782 -14.01112768 1.10747384 -6.5733628 -2.82363521 0.13734313 -5.00480547 -3.62070888 1.80583659 2.97446279 -2.45260591 -1.84533862 2.33130504 -2.65713755 -9.84738399 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 49562-28-9 3339 144210471 A A Fenofibrate O=C(c1ccc(Cl)cc1)c2ccc(OC(C)(C)C(=O)OC(C)C)cc2 Tox21_300151 -NCGC00254312-01 196720324 tox21-ror-cho-viability-p1 set3 1.4 0.003349146 17.98742034 -18.98742034 -1 0.4 0.6774849279 0.0492120708 -14.02263152 -14.98951695 -6.20617532 -5.0637604 -8.73799142 -10.03177547 -4.65247668 -5.35957172 -3.77053324 -0.73937771 0.99266438 -3.00165355 -5.6190686 1.69009461 -3.1057657 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2043-57-4 74888 144210926 1H,1H,2H,2H-Perfluorooctyl iodide FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300609 -NCGC00254605-01 196720727 tox21-ror-cho-viability-p1 set3 4 0.8634921799 -16.000283228 -2 -18.000283228 4.9549173134 0.7955836813 0.0087119381 -4.77059273 -6.45264162 3.76538939 -7.59880595 -1.7592624 -3.84118369 3.04094961 3.08915165 -6.80174549 -22.020785 -18.62871526 -22.91690269 -15.98768555 -17.26354584 -12.06298552 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111988-49-9 115224 144211014 A A Thiacloprid Clc2ncc(CN1CCS/C1=N\C#N)cc2 Tox21_300697 -NCGC00255061-01 196720735 tox21-ror-cho-viability-p1 set3 1.2 1.5355303643 38.171630618 5.956002949 44.127633567 0.8999999999 0.9426823773 0.0000406615 5.3131163 6.14616761 9.38100259 8.47317265 11.26499172 2.38244483 13.96892255 10.97098851 17.13577747 25.61296759 37.17141168 33.38220842 37.08607197 43.26238585 18.02017161 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 118134-30-8 86160 144211480 A Ac Spiroxamine CC(C)(C)C1CCC2(CC1)OCC(CN(CC)CCC)O2 Tox21_301163 -NCGC00258916-01 196709717 tox21-ror-cho-viability-p1 set2 4 2.8446985 1.6653158 0.95729571 1.41450661 -1.04936652 -1.17133973 -0.01312003 0.82433806 -1.12797244 2.24765815 3.57091682 2.76462813 4.20590332 2.54816835 -1.06235551 1.206E-9 2.6959999999E-9 6.028E-9 1.348E-8 3.014E-8 6.74E-8 1.507E-7 3.37E-7 7.535E-7 0.000001685 0.0000037679999999 0.000008425 0.00001884 0.000042119999999 0.000094189999999 1738-25-6 15615 144208562 A A 3-Dimethylaminopropionitrile N#CCCN(C)C Tox21_201364 -NCGC00259354-01 196709300 tox21-ror-cho-viability-p1 set2 -2.1 30.3265518896 -67.1608239655 -3.5442259289 -70.7050498944 4.0949729863 0.9900875339 8E-10 -2.24769013 -5.20250249 -3.18624788 -1.07192415 -1.25660853 -4.79374832 -4.46653875 -4.90582768 -1.7376892 -3.0310716 -4.39327242 -1.80115991 -14.82101338 -52.70129271 -73.65109364 1.1699999999E-9 2.615E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.538E-8 1.462E-7 3.269E-7 7.31E-7 0.000001635 0.0000036549999999 0.000008173 0.00001828 0.000040869999999 0.00009138 57-97-6 6001 144209003 B C 7,12-Dimethylbenz(a)anthracene Cc2c1c4ccccc4ccc1c(C)c3ccccc23 Tox21_201805 -NCGC00259416-01 196709707 tox21-ror-cho-viability-p1 set2 4 -3.24027291 -5.7233698 1.62716016 -3.42986071 -2.04963428 1.63308186 0.49000038 1.47997196 -2.72850623 2.5182141 -4.86829659 -1.85383663 -1.97099585 -3.49034013 -2.39395213 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.625E-8 1.481E-7 3.3129999999E-7 7.407E-7 0.000001656 0.000003704 0.000008281 0.00001852 0.000041409999999 0.000092589999999 98-57-7 7395 144209065 A A 4-Chlorophenyl methyl sulfone O=S(C)(=O)c1ccc(Cl)cc1 Tox21_201867 -NCGC00260006-01 196709713 tox21-ror-cho-viability-p1 set2 4 -2.66952916 -2.24388276 -1.31649187 1.26552705 2.55227027 -1.23970299 -0.15879885 -0.97881772 0.60538192 -3.09711799 -1.92865597 -1.01116467 -1.98192427 0.93107694 1.67854831 1.196E-9 2.674E-9 5.9789999999E-9 1.337E-8 2.9899999999E-8 6.685E-8 1.4949999999E-7 3.3419999999E-7 7.4739999999E-7 0.000001671 0.000003737 0.000008356 0.000018679999999 0.000041779999999 0.00009342 1118-46-3 14236 144209655 A Butyltin trichloride CCCC[Sn](Cl)(Cl)Cl Tox21_202457 -NCGC00256116-01 196710113 tox21-ror-cho-viability-p1 set2 4 -3.17449357 2.95023347 0.38043091 -0.30844807 1.04034767 2.9022114 0.24782907 -2.76648752 0.48326522 0.74005698 -2.86045485 -0.08118027 1.1798845 -0.02935044 2.87102063 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2318-25-4 75345 144211900 D F Ethyl 3-ethoxy-3-iminopropionate hydrochloride Cl.O=C(CC(=N)OCC)OCC Tox21_301583 -NCGC00255610-01 196710115 tox21-ror-cho-viability-p1 set2 4 4.57578143 -3.06999668 -0.65382096 -0.52804034 -0.68797893 -3.49128735 2.81747469 0.29562475 -2.94512633 -0.82737662 -0.17265074 0.73078482 0.21360315 4.02047827 5.3432187 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7579-36-4 82058 144211596 A A Dibenzyl oxalate O=C(OCc1ccccc1)C(=O)OCc2ccccc2 Tox21_301279 -NCGC00258863-01 196705976 tox21-ror-cho-viability-p1 set1 4 -11.2537275 -6.49158401 -13.86643109 -13.09121876 -6.16754043 0.97072152 1.76550659 -6.30093435 -1.18927514 -9.46799354 -7.81854276 -5.66040705 -9.42852522 -0.13677798 -0.38264611 1.154E-9 2.5799999999E-9 5.7689999999E-9 1.29E-8 2.885E-8 6.45E-8 1.4419999999E-7 3.225E-7 7.211E-7 0.0000016129999999 0.000003606 0.000008063 0.00001803 0.00004031 0.00009014 120-82-1 13 144208509 A Ac 1,2,4-Trichlorobenzene Clc1cc(Cl)c(Cl)cc1 Tox21_201311 -NCGC00016098-11 196705156 tox21-ror-cho-viability-p1 set1 4 -0.80298487 -1.44349588 -1.30336285 7.41076176 -0.1521175 0.46124096 -1.64441419 2.65188759 1.84887699 -0.09627345 0.64546496 -1.87869075 1.35291952 -2.60072118 -1.12084654 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7361-61-7 5707 170466147 A Xylazine Cc2cccc(C)c2NC1=NCCCS1 Tox21_110303_1 -NCGC00263653-01 196705162 tox21-ror-cho-viability-p1 set1 4 -0.37456738 -0.06530421 6.3341017 0.92724557 -0.8185737 -0.94446952 -0.22139639 -0.19229528 -0.58571324 2.03937703 -0.17522657 -2.90792887 -1.05807144 0.52334672 -0.17566486 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64603-91-4 3448 170466512 Z Gaboxadol O=C2NOC=1CNCCC=12 Tox21_110271_1 -NCGC00258817-01 196705569 tox21-ror-cho-viability-p1 set1 4 2.31129325 -7.90393701 1.27333101 -6.24830286 -0.00188332 -4.12139162 -8.26213139 1.78436842 3.51741946 -2.90938666 -11.31865175 1.13382331 0.08617802 1.78223924 0.2497102 1.1859999999E-9 2.6519999999E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001853 0.000041439999999 0.000092669999999 108-44-1 7934 144208463 A Fc 3-Methylaniline Cc1cc(N)ccc1 Tox21_201265 -NCGC00258826-01 196705983 tox21-ror-cho-viability-p1 set1 4 15.5741800865 16.517318484 -11.517318484 5 0.3 0.3386042596 0.3312985836 -12.5965419 -3.8418209 -12.98809257 -16.26443207 -4.82948318 -8.37599606 -7.94226873 -9.27599426 -6.69881246 -2.04205547 -5.66302497 -0.90513015 -13.1751389 2.7686933 -0.80239945 1.194E-9 2.671E-9 5.972E-9 1.335E-8 2.986E-8 6.677E-8 1.493E-7 3.3389999999E-7 7.465E-7 0.000001669 0.000003733 0.000008347 0.00001866 0.000041729999999 0.00009332 576-26-1 11335 144208472 A A 2,6-Dimethylphenol Cc1cccc(C)c1O Tox21_201274 -NCGC00259406-01 196705984 tox21-ror-cho-viability-p1 set1 4 -1.54913027 2.63542337 0.77926434 -5.29844714 -9.25394291 -1.82372886 -8.91425382 2.57415529 -5.75291476 0 -1.88470372 -0.30429897 -0.6912785 0.08233138 1.02206333 1.1859999999E-9 2.651E-9 5.928E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009262 117-82-8 8344 144209055 A A Di(2-methoxyethyl) phthalate O=C(OCCOC)c1ccccc1C(=O)OCCOC Tox21_201857 -NCGC00259963-01 196706400 tox21-ror-cho-viability-p1 set1 4 1.45571546 3.74847018 0.7736164 6.40382362 2.01762086 0.42735981 0.46167429 0.32806455 2.51930633 6.83257818 1.14564652 -0.13333066 0.00592545 1.97106402 2.03950804 1.195E-9 2.6729999999E-9 5.9769999999E-9 1.336E-8 2.988E-8 6.682E-8 1.494E-7 3.341E-7 7.4709999999E-7 0.000001671 0.000003735 0.000008353 0.000018679999999 0.000041759999999 0.00009339 637-07-0 2796 144209612 Z Z Clofibrate Clc1ccc(OC(C)(C)C(=O)OCC)cc1 Tox21_202414 -NCGC00259922-01 196706411 tox21-ror-cho-viability-p1 set1 -2.4 53.98439941 -29.749604928 0.5 -29.249604928 1.372261 0.9378896681 0.0000274355 2.79375779 -0.68068039 -1.14647371 0.30887437 0.92068591 1.01257192 0.15057119 1.54998273 0.2919808 2.0015514 1.68843841 -4.48623921 -5.94409682 -9.52555801 -21.04133744 1.171E-9 2.6189999999E-9 5.856E-9 1.31E-8 2.9279999999E-8 6.5479999999E-8 1.464E-7 3.274E-7 7.3209999999E-7 0.000001637 0.00000366 0.000008185 0.0000183 0.00004092 0.00009151 87-66-1 1057 144209571 Z Z Pyrogallol Oc1cccc(O)c1O Tox21_202373 -NCGC00257974-01 196729598 tox21-ror-cho-viability-p1 set3 4 0.39313931 -0.64914362 -0.35799641 1.53393375 0.18232754 -2.67788573 -0.22979509 0.60648677 2.68175187 -0.19782009 0.79731267 2.75601799 0.64844409 1.06653758 2.33377136 1.134E-9 2.5349999999E-9 5.669E-9 1.268E-8 2.8339999999E-8 6.338E-8 1.4169999999E-7 3.169E-7 7.086E-7 0.000001584 0.000003543 0.000007922 0.00001772 0.000039609999999 0.00008858 110-71-4 8071 144207618 Ethylene glycol dimethyl ether COCCOC Tox21_200420 -NCGC00258501-01 196729607 tox21-ror-cho-viability-p1 set3 4 0.0015746515 23.622266304 -25.622266304 -2 4.9549173134 0.4596782297 0.2151791935 -20.93522192 -1.92218876 0.93088267 0 0 0 -2.18903538 -1.83263956 -13.80603556 -14.65457777 0 0 -3.6818967 2.49460835 3.02119838 1.2049999999E-9 2.694E-9 6.0229999999E-9 1.347E-8 3.012E-8 6.7339999999E-8 1.506E-7 3.367E-7 7.529E-7 0.0000016839999999 0.0000037639999999 0.000008418 0.00001882 0.00004209 0.000094109999999 3132-99-8 76583 144208146 A A 3-Bromobenzaldehyde O=Cc1cc(Br)ccc1 Tox21_200948 -NCGC00258266-01 196730015 tox21-ror-cho-viability-p1 set3 4 0.98580838 0.40247625 -0.29811131 1.13137988 1.16149035 0.12048682 1.14536428 -2.03227017 1.66098045 1.96245851 1.0160305 1.24561173 3.22133244 1.4318442 2.66846533 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 97-39-2 7333 144207910 A A 1,3-Bis(2-methylphenyl)guanidine Cc2ccccc2NC(=N)Nc1ccccc1C Tox21_200712 -NCGC00258276-01 196730019 tox21-ror-cho-viability-p1 set3 4 2.03357906 2.07443405 1.46033537 -0.67684493 0.34305162 2.61140195 2.87957394 7.17731765 5.01730544 2.11026775 3.22715804 2.1533333 0.33569788 0.71685429 -1.60069219 1.212E-9 2.711E-9 6.0619999999E-9 1.3549999999E-8 3.031E-8 6.7769999999E-8 1.515E-7 3.3889999999E-7 7.577E-7 0.0000016939999999 0.000003789 0.000008472 0.00001894 0.000042359999999 0.000094709999999 494-90-6 329983 144207920 FNS Menthofuran CC1Cc2occ(C)c2CC1 Tox21_200722 -NCGC00258293-01 196730021 tox21-ror-cho-viability-p1 set3 4 0.12662682 0.16755758 1.02781379 1.32507713 1.38198019 0.31771224 -0.42030614 1.27138165 2.67306075 -0.23832796 -0.29573349 -0.64514913 1.96043311 1.68448767 -2.53249684 1.154E-9 2.5799999999E-9 5.7689999999E-9 1.29E-8 2.884E-8 6.45E-8 1.4419999999E-7 3.225E-7 7.211E-7 0.000001612 0.000003606 0.0000080619999999 0.00001803 0.00004031 0.00009014 503-30-0 10423 144207937 FNS 1,3-Propylene oxide C1CCO1 Tox21_200739 -NCGC00258478-01 196730440 tox21-ror-cho-viability-p1 set3 4 0.67928835 -0.44328268 0.37320945 -0.61079187 -3.18973581 -1.04533967 -2.9003046 -2.78514769 -2.43994232 -1.29623287 0.91092357 -11.57142107 -6.96050538 2.38299161 0.85948806 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041229999999 0.00009218 67-52-7 6211 144208122 A Barbituric acid O=C1CC(=O)NC(=O)N1 Tox21_200924 -NCGC00258283-01 196730445 tox21-ror-cho-viability-p1 set3 -2.4 62.0019276794 -32.448938404 1.5 -30.948938404 2.5884283767 0.9399483624 0.0000228734 2.45695168 1.50506974 -2.36129345 2.97454235 4.28800892 1.25659329 1.02211645 0.90271743 3.79217181 1.5336708 1.8092661 -0.89432346 0.30003096 -6.99984805 -22.45744867 1.194E-9 2.671E-9 5.972E-9 1.335E-8 2.986E-8 6.677E-8 1.493E-7 3.338E-7 7.465E-7 0.000001669 0.000003733 0.000008346 0.00001866 0.000041729999999 0.00009331 100-29-8 7495 144207927 F 1-Ethoxy-4-nitrobenzene CCOc1ccc(cc1)[N+]([O-])=O Tox21_200729 -NCGC00256795-01 196727174 tox21-ror-cho-viability-p1 set3 4 -1.59792289 0.25711105 -0.32700962 -1.3567207 -3.20641862 0.46115612 -1.11352839 4.29190687 0.81698879 4.61454187 0.20996427 -6.17477722 -2.0715864 -2.3783102 -0.29344518 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6290-17-1 95392 144212774 A A Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate O=C(OCC)CC1(C)OCC(C)O1 Tox21_302457 -NCGC00256593-01 196726768 tox21-ror-cho-viability-p1 set3 4 4.8557733675 9.250878236 -5.250878236 4 4.9549173134 0.5454507862 0.13947088 -1.82765497 -0.48717382 -0.79369671 -5.8117131 -8.54239853 -1.4581071 -7.84085935 -8.37946107 -8.38075041 -8.35037701 -7.24734508 9.61128289 0.66208375 -0.49166603 7.25443586 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-83-8 6501 144213277 I I Ethyl methylphenylglycidate CCOC(=O)C2OC2(C)c1ccccc1 Tox21_302960 -NCGC00256946-01 196726773 tox21-ror-cho-viability-p1 set3 4 -4.98654457 -1.62689018 -2.87903186 -0.15855684 -2.85274736 -5.11572875 -1.22527122 -1.86623221 -1.04914966 -1.55602686 0.82059349 -3.70186501 -4.36291804 2.06245894 -1.09677101 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.00001889 0.00004225 0.00009447 141-32-2 8846 144213613 Fns Butyl acrylate C=CC(=O)OCCCC Tox21_303296 -NCGC00257155-01 196727173 tox21-ror-cho-viability-p1 set3 4 0.0019331182 -23.010750152 20.5 -2.510750152 4.9549173134 0.6519987097 0.0629660676 18.89426986 1.33275041 -3.52593626 -7.37834819 -3.01464692 -6.59819582 -7.50895846 -3.17372896 -6.14619348 -2.13842281 -0.55865973 8.48897249 -0.00074106 1.32024799 -1.28368616 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-65-2 7153 144213652 Ac Ac Mecoprop Clc1cc(C)c(OC(C)C(=O)O)cc1 Tox21_303335 -NCGC00257062-01 196727189 tox21-ror-cho-viability-p1 set3 4 0.98514268 -0.89654574 0.24544958 -0.17415679 4.20469071 0.08357822 1.40071146 1.21434184 0.73095301 0.48269703 5.64273403 0.0234142 3.16959783 1.32700824 -0.61265076 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16219-75-3 27756 144213384 Fns 5-Ethylidene-2-norbornene CC=C2CC1C=CC2C1 Tox21_303067 -NCGC00256743-01 196727591 tox21-ror-cho-viability-p1 set3 4 -0.95942268 -0.21733932 1.59679655 0.80362684 -0.43789989 1.21729987 0.10319244 7.72964933 7.98572038 8.25425897 7.86532246 0.1646784 5.23040395 5.32508466 0.11906464 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 255714-11-5 90592 144212870 A F 3,7-Dimethyloct-6-en-1-yl 2-methylbut-2-enoate C\C(C)=C\CCC(C)CCOC(=O)C(C)=CC Tox21_302553 -NCGC00256466-01 196727604 tox21-ror-cho-viability-p1 set3 4 6.11185998 0.59091179 -0.38855378 0.35124723 0.16983356 -3.83474471 5.23110055 3.81890664 4.70766629 1.64015468 7.00092773 1.56340129 5.23659357 3.87328622 2.71126565 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-03-2 7903 144213341 Fns 1-Nitropropane [O-][N+](=O)CCC Tox21_303024 -NCGC00255788-01 196700788 tox21-ror-cho-viability-p1 set1 4 4.8557733675 -12.242858744 -2 -14.242858744 4.9549173134 0.6390359135 0.0708472679 -1.33057567 -2.43583109 -0.24591644 -2.78721653 -10.58099573 -3.64154696 -2.4419516 0.56003642 -5.76050984 -0.02053229 -2.9412875 -18.53571562 -16.16235783 -6.45231857 -15.34155524 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59227-89-3 42981 144212074 A A Laurocapram O=C1CCCCCN1CCCCCCCCCCCC Tox21_301757 -NCGC00255275-01 196700366 tox21-ror-cho-viability-p1 set1 4 1.08053494 3.30854344 3.34865939 1.3924761 -0.65119728 0.03674006 4.69884466 2.44795184 1.05397484 3.05807436 5.07269749 -1.81876374 -0.33666456 4.59830845 -1.41708371 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25451-15-4 3331 144212685 A A Felbamate NC(=O)OCC(COC(N)=O)c1ccccc1 Tox21_302368 -NCGC00255720-01 196700383 tox21-ror-cho-viability-p1 set1 4 -3.89827176 0.97735841 -6.9965212 0.48409662 -3.63439726 2.79071588 -4.33023066 -4.84464267 -3.79924821 -5.03368659 -3.73481833 0.55818586 -0.4047418 -5.29310827 -13.63020503 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17109-49-8 28292 144211672 A C Edifenphos O=P(Sc1ccccc1)(Sc2ccccc2)OCC Tox21_301355 -NCGC00255940-01 196700778 tox21-ror-cho-viability-p1 set1 4 2.41158208 0.01468154 -0.6807019 0.82614328 1.85241844 1.99218186 1.19599028 1.43421488 3.06625307 3.20539974 -1.11252908 -1.48005123 2.49240164 2.67693118 2.01464356 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-69-7 6943 144212379 A A 2-Isopropylphenol CC(C)c1ccccc1O Tox21_302062 -NCGC00255593-01 196700790 tox21-ror-cho-viability-p1 set1 4 3.44391493 4.65431094 3.00712347 -1.22393302 -1.71736363 1.02492984 3.83185547 5.01119915 3.33581224 -1.09176861 -0.31368803 0.65860185 2.25188543 3.4805412 3.39746707 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6515-38-4 23017 144211873 A A 3,5,6-Trichloro-2-pyridinol Clc1cc(Cl)c(Cl)nc1O Tox21_301556 -NCGC00095165-07 196723215 tox21-ror-cho-viability-p1 set3 -1.4 0.0375780358 -39.7021826204 12.698205539 -27.0039770814 4.4494702849 0.6742535465 0.0606637833 19.01055748 13.75932289 3.89291616 3.50161496 23.483975 -2.37643711 -24.8956291 -27.18194617 -48.16479392 -48.49808039 -37.38360172 -16.35399197 -10.79402294 -1.72956867 14.46212596 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61422-45-5 2577 170465833 A Carmofur O=C1NC(=O)C(F)=CN1C(=O)NCCCCCC Tox21_111464_1 -NCGC00253708-01 196722817 tox21-ror-cho-viability-p1 set3 4 37.5780357627 17.0691240719 -3.0691240719 14 4.9549173134 0.4178155674 0.25537313 -1.13200816 -6.85958157 1.67317642 -0.29877936 -5.95567402 -6.21285299 -0.97884945 0.68374468 -2.35343852 -5.24632972 -10.47427006 3.0075344 -0.32235414 -7.74993749 10.34003043 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56326-98-8 91805 170466751 F A 1-(4-Fluorophenyl)-4-oxocyclohexanecarbonitrile Fc1ccc(cc1)C2(CCC(=O)CC2)C#N Tox21_113828 -NCGC00015726-11 196722818 tox21-ror-cho-viability-p1 set3 4 0.2984929481 22.4302509373 -15.8514094049 6.5788415324 4.9549173134 0.596977671 0.098784328 1.07275996 -7.85326851 2.23883946 -25.14508387 -25.32425974 -22.09475695 -23.86849089 -27.3537155 2.79884802 8.08712314 6.10532079 4.73241742 2.13999969 3.97772361 14.22311515 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-12-7 4472 170466097 A Nialamide O=C(NNCCC(=O)NCc1ccccc1)c2ccncc2 Tox21_110208_1 -NCGC00016747-07 196722819 tox21-ror-cho-viability-p1 set3 -2.4 23.7101376556 -45.0694947496 -4.070364476 -49.1398592256 0.7999999999 0.5818294511 0.1100564563 3.47647868 -6.94101927 -7.14974203 -7.30307349 1.43759924 3.22744443 -18.12447756 -23.24014398 -3.27060359 -4.83675077 -5.74169303 -10.74900434 -18.03134026 -22.4058757 -37.22716608 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35898-87-4 3074 170465831 A Dilazep COc1cc(cc(OC)c1OC)C(=O)OCCCN3CCCN(CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)CC3 Tox21_110588_1 -NCGC00090820-03 196723232 tox21-ror-cho-viability-p1 set3 4 33.4914596268 21.448834256 0.551165744 22 0.8999999999 0.4778916152 0.19874279 0.2091108 0.06841721 -0.91903101 -2.59911917 2.18243021 2.02445463 3.21787753 0.51350483 -6.20736188 9.20319885 7.75916784 -0.40716696 -0.69487532 9.84583798 15.62130813 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 556-08-1 19266 170466207 Fc 4-Acetamidobenzoic acid O=C(C)Nc1ccc(cc1)C(=O)O Tox21_111029_1 -NCGC00164482-02 196723235 tox21-ror-cho-viability-p1 set3 4 0.0473079441 6.274668888 -2.774668888 3.5 0.8999999999 0.4540563334 0.222380578 -1.58959881 -5.22889074 -0.64818586 -1.74187144 -1.38400583 0.20109028 0.23897743 2.23230338 0.26896115 7.05600369 5.80825377 0.72549766 -0.88494294 0.3574871 8.85478252 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94746-78-8 779179 170466559 A Molracetam O=C(CN1CCN(CC1)C(=O)c2ccc(OC)cc2)N3CCOCC3 Tox21_112124_1 -NCGC00091253-05 196723635 tox21-ror-cho-viability-p1 set3 4 2.3595946809 17.2823849679 -3.2823849679 14 0.5999999999 0.3887601257 0.298723308 3.15124753 1.1408294 -12.31865414 -12.14249669 4.72482792 0 0 0 -1.12488255 14.21027895 -5.20857456 14.49440014 9.95665383 10.74451132 1.13621743 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00163298-02 196722757 tox21-ror-cho-viability-p1 set3 4 37.5780357627 12.613825644 1.386174356 14 4.9549173134 0.5621862359 0.1271839666 4.33342755 -0.24389713 3.3348041 -1.76152137 4.69340323 -0.81501273 0.53659701 -0.03757439 -0.43163483 1.34344066 4.69113453 2.25942849 3.20383865 -1.33620529 11.71107161 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6493-06-7 57782 170466143 A (+/-)-Lisofylline CC(O)CCCCN2C(=O)c1n(C)cnc1N(C)C2=O Tox21_112043_1 -NCGC00183005-01 196697831 tox21-ror-cho-viability-p1 set1 4 -2.96609492 0.0016052 0.47495346 -2.20198002 -6.08586595 -1.57525977 -0.23868558 1.48594047 -5.92476407 -4.37905169 -0.08349976 0.77534575 -3.50426981 -2.15362804 -6.70620322 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 263248-42-6 5282215 144206802 A A Zanapezil fumerate O=C(O)/C=C/C(=O)O.O=C(CCC2CCN(Cc1ccccc1)CC2)c3ccc4CCCCNc4c3 Tox21_113251 -NCGC00016643-09 196697832 tox21-ror-cho-viability-p1 set1 4 1.49748334 1.64997771 -2.81090745 -2.04035464 0.06284109 1.27039451 0.05589468 -2.00223644 3.06273911 -1.43819191 1.0453042 0.21121187 -3.65660574 1.16099781 -3.16597073 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3902-71-4 5585 170465339 A Trioxsalen Cc1oc2c(C)c3OC(=O)C=C(C)c3cc2c1 Tox21_110541_1 -NCGC00185747-02 196698231 tox21-ror-cho-viability-p1 set1 4 3.57276662 -0.60813266 -4.99558601 0.47378002 -0.62008242 -0.76587882 -0.41792239 -1.50931491 0.89099277 -2.36316223 3.44297477 -7.12310396 -3.24491617 -2.48572459 0.54169431 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5868-05-3 4476 170465789 A Niceritrol O=C(OCC(COC(=O)c1cccnc1)(COC(=O)c2cccnc2)COC(=O)c3cccnc3)c4cccnc4 Tox21_113126_1 -NCGC00263585-01 196722352 tox21-ror-cho-viability-p1 set3 4 0.084126743 8.9007972081 1.0992027919 10 1.331 0.4047552806 0.2841295064 1.58362284 -0.48643769 -0.75066434 -0.36451009 8.58917361 2.25791631 4.70361651 0.75639422 15.73989697 19.59167706 9.41745096 6.48468361 8.14996586 4.19392769 0.83383401 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 74711-43-6 5720 170465838 A Zaltoprofen O=C(O)C(C)c1cc2CC(=O)c3ccccc3Sc2cc1 Tox21_113634_1 -NCGC00090789-02 196722745 tox21-ror-cho-viability-p1 set3 4 0.0017228934 24.4911472999 -22.9911472999 1.5 4.0949729863 0.5613287424 0.1263091737 -18.74262275 -2.53552559 0 0 0 -7.54863233 -3.41257833 -2.8449007 6.23156761 6.24707158 5.56589962 4.19345962 6.66237969 6.95529332 -4.87591154 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00160656-02 196722746 tox21-ror-cho-viability-p1 set3 4 3.7578035763 -13.191021092 -1 -14.191021092 1.331 0.8529166424 0.0032438413 -3.80632359 -0.50948722 -1.898169 -0.27424044 -0.6663908 -0.66674942 -1.28774515 1.34781664 -0.92699966 -4.84842547 -5.04003565 -5.65906784 -14.32585091 -11.71747308 2.98996407 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 93-47-0 9574235 170466224 A Verazide O=C(N/N=C/c1ccc(OC)c(OC)c1)c2ccncc2 Tox21_111963_1 -NCGC00253649-01 196722761 tox21-ror-cho-viability-p1 set3 4 16.7854920005 -19.538717664 5.5 -14.038717664 0.7999999999 0.6159211888 0.0860519371 0.38589739 5.22298484 2.94416357 6.75794915 14.84479963 5.88259696 2.54250369 1.67414391 5.9842632 3.97077728 2.67234107 0.56534523 -2.90550538 -1.65512073 -10.03226472 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4462-55-9 78212 170466742 F F 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride ClC(=O)c2c(C)onc2c1c(Cl)cccc1Cl Tox21_113775 -NCGC00166134-02 196723173 tox21-ror-cho-viability-p1 set3 -3 29.8492948118 -73.9270900149 2.8377498189 -71.089340196 4.5044702849 0.9526401729 0.0000062424 2.11411285 -0.79085385 -2.10192311 0.70491569 11.50388679 2.69096367 1.83477654 1.79187521 4.86875462 9.31428839 2.37030199 6.37481482 -1.69758997 -8.89867295 -61.74111683 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 313-06-4 9403 170464789 A Estradiol cypionate Oc4cc5CC[C@@H]1[C@H](CC[C@]2(C)[C@H](CC[C@@H]12)OC(=O)CCC3CCCC3)c5cc4 Tox21_112331_1 -NCGC00094981-07 196723175 tox21-ror-cho-viability-p1 set3 4 0.2371013766 9.972471396 0.027528604 10 4.9549173134 0.6601328985 0.0583614196 -2.06039283 -0.07367935 -0.42290688 0.01035145 1.33112158 1.56431635 -0.23249445 0.50110005 10.5977108 9.07028774 12.78491167 4.58904095 8.09249047 4.05511492 19.63384664 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 120-51-4 2345 170465382 F Benzyl benzoate O=C(OCc1ccccc1)c2ccccc2 Tox21_111372_1 -NCGC00095112-05 196723586 tox21-ror-cho-viability-p1 set3 4 0 6.31249849 -1.09603984 2.5125812 1.48243335 7.96525516 2.09994737 4.70670357 -0.05376268 7.8421511 7.73368644 1.39147787 3.17811506 -1.47195998 -3.00831894 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 70356-09-1 51040 170464749 F Avobenzone COc1ccc(cc1)C(=O)CC(=O)c2ccc(cc2)C(C)(C)C Tox21_111427_1 -NCGC00262963-01 196723597 tox21-ror-cho-viability-p1 set3 4 0.8412674301 13.753374026 1.4586359165 15.2120099425 4.9549173134 0.3343372903 0.3495813835 -9.01158739 22.57888812 4.63041743 4.67713344 3.84703793 1.63825582 2.9375775 0.07463685 -20.26915165 10.79853628 13.85871758 14.37161793 14.76538177 17.52180446 2.86867483 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69123-90-6 50312 170466497 Ac F Fiacitabine IC1=CN(C(=O)N=C1N)[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F Tox21_113954 -NCGC00257310-01 196707648 tox21-ror-cho-viability-p1 set1 -2.1 68.5896218971 -73.5605814524 -9.258285588 -82.8188670404 3.9899729863 0.9347041834 0.0000355378 -6.15097267 -11.75552227 -13.01868063 -12.75279259 -10.78200357 -6.13701284 -3.80099881 -7.2811088 -17.63763421 -11.3592019 -5.70467854 -4.64210832 -12.50596679 -16.70406077 -65.77186897 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-38-5 5358159 144213683 D 2-(8-Heptadecenyl)-2-imidazoline-1-ethanol OCCN1CCN=C1CCCCCCC/C=C\CCCCCCCC Tox21_303368 -NCGC00256862-01 196707249 tox21-ror-cho-viability-p1 set1 4 4.55300616 0.7866727 2.73296113 0.97747285 3.966561 0.86567985 9.63726536 10.6053998 6.20247522 0.28497957 5.32982604 7.47969325 4.2355808 -0.16981486 2.62936509 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-53-7 7659 144212950 A A 2-Phenylethyl 3-phenylprop-2-enoate O=C(OCCc1ccccc1)C=Cc2ccccc2 Tox21_302633 -NCGC00256356-01 196707643 tox21-ror-cho-viability-p1 set1 4 -6.67591645 -10.97186374 -5.54686423 -6.34534369 -9.90168376 -10.41384548 -3.80847355 -12.99915802 -10.33823149 -13.69993096 -14.36485957 -8.81040732 -5.78831101 -11.50408571 -5.08205485 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-84-6 660 144213062 Ac Ac 3,4-Dihydrocoumarin O=C1CCc2ccccc2O1 Tox21_302745 -NCGC00256478-01 196707656 tox21-ror-cho-viability-p1 set1 4 0.3857077887 -4.736530652 2.5 -2.236530652 1.8079476909 0.3558236659 0.3328777759 2.19850401 3.24451389 2.02077695 1.03313969 3.14536278 2.28690354 1.69449929 -0.06837419 -0.5303504 0.38944277 -11.03044221 0.1335736 0.76004841 -0.96776255 4.57871949 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6959-48-4 23394 144213204 A D 3-(Chloromethyl)pyridine hydrochloride Cl.ClCc1cccnc1 Tox21_302887 -NCGC00256370-01 196707663 tox21-ror-cho-viability-p1 set1 -2.2 54.4826732819 -70.2172895955 -6.535064342 -76.7523539375 1.826479391 0.840663197 0.0029564155 -12.50019459 7.20492074 -9.77873155 -7.07019853 -9.48584332 -9.32569496 -10.24925214 -11.86867055 -0.67466926 -18.09785253 -7.42836897 -1.52890627 -10.44156996 -36.85738495 -58.14572268 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63-92-3 5284441 144213295 C Fns Phenoxybenzamine hydrochloride Cl.CC(COc1ccccc1)N(Cc2ccccc2)CCCl Tox21_302978 -NCGC00256800-01 196708058 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -19.428413308 3 -16.428413308 2.0478617061 0.5407363061 0.1437163185 1.37153331 2.38035245 0.14359099 -0.19890464 0.85051092 1.76301727 4.87611848 12.55608507 6.39064004 0.97842636 5.59121796 3.28094015 -0.84476714 -0.9687267 -10.35701109 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6707-60-4 23173 144212873 A A 12-Oxahexadecanolide O=C1CCCCCCCCCCOCCCCO1 Tox21_302556 -NCGC00256913-01 196708069 tox21-ror-cho-viability-p1 set1 4 0.4327712569 3.9942279599 -0.9942279599 3 4.9549173134 0.3501435372 0.3232039136 1.20306453 0.04971373 -2.99974082 1.6017348 -3.3285233 -0.84006397 -0.91902809 -1.14939243 5.75423797 0.06092336 -1.28409354 7.4153136 1.23846401 1.45783821 5.59888028 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 628-97-7 12366 144212822 A Fns Ethyl hexadecanoate O=C(CCCCCCCCCCCCCCC)OCC Tox21_302505 -NCGC00257095-01 196708076 tox21-ror-cho-viability-p1 set1 4 0.05026569 1.32514157 -1.53954996 -0.98242438 -1.0797132 -0.27165018 1.02966061 1.84388639 4.23244361 1.61633154 3.89619886 3.32461872 4.6857966 2.21497898 2.14531341 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 2530-83-8 17317 144213605 F F Trimethoxy[3-(oxiran-2-ylmethoxy)propyl]silane CO[Si](CCCOCC1CO1)(OC)OC Tox21_303288 -NCGC00256507-01 196708077 tox21-ror-cho-viability-p1 set1 4 -0.78033573 -4.22353756 0.54948088 0.83099983 0.10450621 2.33963712 2.43860835 -1.07497001 -1.47312164 2.86666642 -0.88536668 -0.93180914 -0.24356239 3.6267791 -0.09947995 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 103-85-5 676454 144213315 A A 1-Phenyl-2-thiourea S=C(N)Nc1ccccc1 Tox21_302998 -NCGC00259463-01 196708496 tox21-ror-cho-viability-p1 set2 4 0.1980394832 -5.1369849999 0 -5.1369849999 4.9549173134 0.4687565467 0.2086211138 3.22282945 0.86289695 -1.90552333 -3.66836431 2.60822775 -1.58325843 -1.04080915 -5.67361518 -7.1974875 -6.69387564 2.09631568 -4.59596582 -5.43674201 -6.88932843 -6.3656641 1.204E-9 2.6909999999E-9 6.018E-9 1.346E-8 3.009E-8 6.729E-8 1.5049999999E-7 3.3639999999E-7 7.523E-7 0.000001682 0.000003761 0.000008411 0.000018809999999 0.000042049999999 0.00009404 97-90-5 7355 144209112 A A Ethylene glycol dimethacrylate O=C(OCCOC(=O)C(=C)C)C(=C)C Tox21_201914 -NCGC00015675-08 196708892 tox21-ror-cho-viability-p1 set2 4 0.37104929 0.29306874 0.82673228 -4.60409677 -1.19057454 -0.91543834 -0.71299474 -1.62765263 0.3823116 -3.99275305 -0.08532554 -0.71331409 -1.07086451 -0.73503404 4.51770457 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00257172-01 196707254 tox21-ror-cho-viability-p1 set1 4 -2.28083149 -0.80789233 0.53400513 0.18240355 -2.9018609 0.5144968 5.23343607 -3.43533848 6.94936222 1.43673124 -2.22136024 4.76437587 2.8942376 0.58870225 9.20964203 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 109-09-1 7977 144213624 F 2-Chloropyridine Clc1ccccn1 Tox21_303307 -NCGC00255566-01 196728844 tox21-ror-cho-viability-p1 set3 4 0.685896219 -12.821161616 15 2.178838384 4.9549173134 0.5082194453 0.1709128147 2.02084942 20.03226389 14.33565721 16.6596336 11.83779926 14.53956134 19.23697153 19.64217783 7.27526625 -2.59480049 -1.02113852 -2.76763468 13.32511121 6.243459 4.9010127 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2642-71-9 17531 144211738 A A Azinphos-ethyl CCOP(=S)(OCC)SCN1N=Nc2ccccc2C1=O Tox21_301421 -NCGC00258137-01 196729262 tox21-ror-cho-viability-p1 set3 4 2.31992164 -3.19858028 0.10443787 -4.45441322 0.21616388 -2.32838107 -0.28439402 -3.52763366 -3.55865337 -1.20760078 -0.98279698 -3.40089032 -2.1642228 2.35582251 4.31352007 1.1739999999E-9 2.625E-9 5.87E-9 1.3129999999E-8 2.9349999999E-8 6.5629999999E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003669 0.000008203 0.00001834 0.00004102 0.000091709999999 98892-75-2 2734167 144207781 A A 1-Butyl-2,3-dimethylimidazolium chloride [Cl-].CCCCn1cc[n+](C)c1C Tox21_200583 -NCGC00257568-01 196729267 tox21-ror-cho-viability-p1 set3 4 1.68540256 3.66994095 1.16679186 1.77437817 -5.61187389 2.88318682 -5.79724354 -6.51099014 3.55796034 2.81809575 -5.31097934 -2.99156247 4.57510853 1.73609146 -8.4155545 1.194E-9 2.67E-9 5.9699999999E-9 1.335E-8 2.985E-8 6.675E-8 1.493E-7 3.337E-7 7.463E-7 0.000001669 0.0000037309999999 0.0000083439999999 0.00001866 0.00004172 0.00009329 869-24-9 13363 144207212 A 1-Chloro-2-(diethylamine)ethane hydrochloride Cl.CCN(CC)CCCl Tox21_200014 -NCGC00257645-01 196729673 tox21-ror-cho-viability-p1 set3 4 76.4113045955 -10.17213934 1.5 -8.67213934 4.9549173134 0.4085029204 0.266747391 -0.93386488 -1.69680107 5.55991811 0.92605792 0.93923758 0.13127968 0.27121264 4.61176535 4.6146066 -0.70169809 1.0608502 -0.19774731 5.23275729 3.63667257 -6.39344945 1.173E-9 2.622E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.3299999999E-7 0.0000016389999999 0.000003665 0.000008195 0.00001832 0.000040969999999 0.00009162 80-30-8 6633 144207289 A A N-Cyclohexyl-4-methylbenzenesulfonamide O=S(=O)(NC1CCCCC1)c2ccc(C)cc2 Tox21_200091 -NCGC00257718-01 196729674 tox21-ror-cho-viability-p1 set3 -2.1 42.7056196033 -102.4982436684 2.1718250379 -100.3264186305 2.3331733767 0.9916727683 3E-10 1.21281844 2.18954468 0.82270548 3.97095873 2.44411216 2.89976466 2.30689028 3.41984789 2.41278799 -1.98383922 0.65493236 4.25627338 -6.52300786 -49.99847899 -84.02547624 1.167E-9 2.61E-9 5.835E-9 1.305E-8 2.918E-8 6.524E-8 1.459E-7 3.262E-7 7.294E-7 0.000001631 0.0000036469999999 0.0000081549999999 0.000018239999999 0.00004077 0.00009118 27193-86-8 171144 144207362 D Dodecylphenol Oc1ccccc1CCCCCCCCCCCC Tox21_200164 -NCGC00258453-01 196729675 tox21-ror-cho-viability-p1 set3 -1.1 27.3615673809 -63.4221880396 -0.552186593 -63.9743746326 4.9549173134 0.9794873097 5.5E-8 2.8018908 -3.79270711 -3.66234365 -5.3379798 2.67738514 0.49950282 -4.6567863 -1.92201148 -0.7886544 -1.93939452 1.52107596 2.52001019 -4.85556055 -60.74338886 -62.71997513 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004128 0.00009231 598-91-4 69026 144208097 Bc Dibromonitromethane BrC(Br)[N+]([O-])=O Tox21_200899 -NCGC00258032-01 196729677 tox21-ror-cho-viability-p1 set3 4 0.94525712 -0.35370916 -0.16228457 -0.15763528 1.8347336 -0.29866939 1.54338129 -0.32056364 1.11863133 2.28194847 0.34319512 1.04498912 1.40420424 -1.67986067 -1.5655042 1.239E-9 2.771E-9 6.1949999999E-9 1.3849999999E-8 3.098E-8 6.927E-8 1.549E-7 3.4629999999E-7 7.7439999999E-7 0.0000017319999999 0.0000038719999999 0.0000086579999999 0.000019359999999 0.00004329 0.0000968 5856-63-3 2723856 144207676 A A (2R)-2-Aminobutan-1-ol CC[C@@H](N)CO Tox21_200478 -NCGC00258095-01 196729680 tox21-ror-cho-viability-p1 set3 4 -1.84625964 1.53133707 1.49256039 2.47035921 4.25895846 3.5420721 -2.10022045 2.18088609 4.92056666 -1.86754221 2.29153203 0.73175829 -2.18907137 -1.92085982 2.75106665 1.204E-9 2.693E-9 6.0219999999E-9 1.347E-8 3.011E-8 6.733E-8 1.506E-7 3.367E-7 7.528E-7 0.000001683 0.0000037639999999 0.000008416 0.00001882 0.00004208 0.000094099999999 117-99-7 8348 144207739 A A 2-Hydroxybenzophenone O=C(c1ccccc1O)c2ccccc2 Tox21_200541 -NCGC00015131-05 196725584 tox21-ror-cho-viability-p1 set3 4 4.52225034 1.06889495 0.8920696 3.5646528 2.75410814 0.3981365 -0.55120478 -2.25449362 -3.38199818 0.50441232 -2.5970425 -4.16832359 -1.13949522 9.36376848 5.05898755 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 36067-72-8 169743 170466333 Z Azepexole hydrochloride Cl.Cl.CCN1CCc2oc(N)nc2CC1 Tox21_111214_1 -NCGC00357286-01 196724770 tox21-ror-cho-viability-p1 set3 -2.1 27.3060203028 -93.1108219289 -0.848269311 -93.9590912399 0.8999999999 0.9301040379 0.0000509271 -10.4621256 -7.57113516 4.61381651 5.18345041 -0.87825831 -0.80766556 -2.2779437 4.19044758 -4.48671985 -3.94471922 -14.39169857 -26.17420953 -46.78749944 -42.84674462 -78.2992427 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3064-70-8 62478 251919706 Bis(trichloromethyl)sulfone ClC(Cl)(Cl)S(=O)(=O)C(Cl)(Cl)Cl Tox21_303827 -NCGC00092366-03 196725165 tox21-ror-cho-viability-p1 set3 4 0 2.40898244 -1.75594014 -1.29528554 -0.34593283 3.00033024 3.04626103 3.00237025 1.27970166 0.76250269 5.6624819 3.56199934 2.87020822 -2.5185578 -0.79038419 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 150375-75-0 60196272 170466643 A Relcovaptan NC(=O)[C@H]1CCCN1C(=O)[C@H]3N(c2ccc(Cl)cc2[C@@]3(O)c4ccccc4Cl)S(=O)(=O)c5cc(OC)c(OC)cc5 Tox21_111198_1 -NCGC00016642-04 196725172 tox21-ror-cho-viability-p1 set3 4 11.8832183006 18.1489232719 -1.1489232719 17 3.9294729863 0.6503389405 0.0638965998 -13.45743606 6.26305585 -0.147066 1.27419003 -0.46144304 -1.60190808 -0.48031558 0.38373594 0.8273351 -4.35011512 0.79240066 -0.40182741 2.62314583 19.33405651 13.23524952 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3819-00-9 19675 170465363 A Piperacetazine CC(=O)c2cc3N(CCCN1CCC(CCO)CC1)c4ccccc4Sc3cc2 Tox21_110540_1 -NCGC00090827-04 196725592 tox21-ror-cho-viability-p1 set3 4 0.0077428639 -5.9316838159 4 -1.9316838159 0.6999999999 0.4721251993 0.2089821518 1.55875225 5.01834112 -0.67384963 -0.17894057 0.06719489 0.53506311 -0.67871254 -2.88319604 -1.09518388 -5.77640318 0.51949703 -1.21227942 -2.78917763 -2.64300464 -0.89420676 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00253924-01 196699149 tox21-ror-cho-viability-p1 set1 4 -5.84129494 -3.4638777 -0.74131397 -5.01558726 -2.95716556 -0.88849267 -1.89230303 -2.39951766 1.22939737 0.00420251 -1.28481135 1.19789606 -0.46902184 -4.52536732 -4.0305598 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-90-4 8411 144210361 A A 3,3'-Dimethoxybenzidine Nc1ccc(cc1OC)c2ccc(N)c(OC)c2 Tox21_300041 -NCGC00254945-01 196698726 tox21-ror-cho-viability-p1 set1 4 30.6378586933 -8.09129286 -0.5 -8.59129286 4.9549173134 0.4765233961 0.2203781771 -3.61852051 -0.4026291 -3.9360721 -0.96248989 0.74506313 -0.92507865 0.71270386 1.97788022 0.63068237 2.21846137 -0.02128332 -3.39028 1.44649931 -7.99274405 0.0617436 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-54-8 7660 144211360 A A 3-Phenylprop-2-en-1-yl acetate CC(=O)OCC=Cc1ccccc1 Tox21_301043 -NCGC00254459-01 196698727 tox21-ror-cho-viability-p1 set1 4 0.67597583 2.18951437 0.18795457 -0.54171617 0.14375372 0.44411907 0.28463573 0.41166062 2.17233434 0.30101713 -1.16428878 1.99235555 -0.34749049 1.37747155 -0.63133476 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-83-8 6989 144210676 A A Thymol CC(C)c1ccc(C)cc1O Tox21_300358 -NCGC00254943-01 196698734 tox21-ror-cho-viability-p1 set1 4 0.15307149 -0.01465154 1.37011144 1.70753947 0.52547241 -1.34997915 1.88949953 1.16733827 -0.69344365 2.32819069 0.6225521 -0.55152203 1.76482897 0.57809982 1.60280214 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-43-3 8114 144211358 FNS Propyl ether CCCOCCC Tox21_301041 -NCGC00254773-01 196699150 tox21-ror-cho-viability-p1 set1 4 -1.39604744 -3.56165037 -1.16362522 -1.51184004 -0.86498582 -0.65044162 -2.57504205 0.58413607 -0.29382587 -1.2931076 -2.62132116 -0.23110944 -0.48024944 0.14241856 -0.24816768 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 143-08-8 8914 144211186 A A 1-Nonanol CCCCCCCCCO Tox21_300869 -NCGC00254605-01 196699155 tox21-ror-cho-viability-p1 set1 4 -4.4073735 7.73475568 -2.92572879 2.24851679 1.56251087 5.0859287 2.96700231 -6.75226981 -0.36389351 1.09181118 2.26752312 0.04618243 -11.10127065 -0.00655729 2.48958785 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111988-49-9 115224 144211014 A A Thiacloprid Clc2ncc(CN1CCS/C1=N\C#N)cc2 Tox21_300697 -NCGC00253915-01 196699160 tox21-ror-cho-viability-p1 set1 4 -4.82640456 -4.34270196 -4.90580569 -4.95962275 2.23177897 2.88154172 -5.25773358 -6.05995782 2.76678729 2.0311283 0.6310724 -5.64022393 0.69945929 -3.30126031 -1.03144481 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-53-0 3314 144210425 A A Eugenol Oc1ccc(cc1OC)CC=C Tox21_300105 -NCGC00183859-01 196697928 tox21-ror-cho-viability-p1 set1 4 0.56420938 0.81154876 0.09977495 1.48169175 -2.94051256 0.78602039 -3.24952118 0.22043431 0.74784672 -3.0222625 -3.27006098 -0.73315321 -2.04566217 0.05797033 2.44321415 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4630-95-9 20749 144206846 A A Prifinium bromide [Br-].CC[N+]3(CC)CC/C(=C(\c1ccccc1)c2ccccc2)C3C Tox21_113295 -NCGC00257676-01 196724090 tox21-ror-cho-viability-p1 set3 4 0.0087580051 12.7165420959 -7.2165420959 5.5 1.0999999999 0.5749753628 0.1159358086 -8.51378508 1.37472866 -7.43202481 3.45907052 1.79372539 1.76927707 10.34600745 6.45605823 8.38456755 2.64103308 8.87891402 1.22684719 6.16702294 5.25761595 2.9691027 1.194E-9 2.671E-9 5.9709999999E-9 1.335E-8 2.986E-8 6.676E-8 1.493E-7 3.338E-7 7.464E-7 0.000001669 0.000003732 0.000008345 0.00001866 0.000041729999999 0.000093299999999 50-02-2 5743 144207320 A A Dexamethasone OCC(=O)[C@@]4(O)[C@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_200122 -NCGC00357145-01 196724091 tox21-ror-cho-viability-p1 set3 4 -1.61094616 4.25041162 8.11316213 -1.63970604 -2.26963238 -0.69900819 1.83170868 4.11679043 -1.56258273 -6.08066271 -1.11456322 -0.10363903 -2.65205377 -1.22946627 -1.49849327 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 70630-17-0 11150163 251919713 F Metalaxyl-M C[C@@H](N(C(=O)COC)c1c(C)cccc1C)C(=O)OC Tox21_303887 -NCGC00024772-02 196697926 tox21-ror-cho-viability-p1 set1 4 -2.33970345 3.16079702 -0.40892677 0.92278734 -4.85610156 -3.06230642 2.89316153 -0.01844371 -3.61050957 0.32776195 3.56357554 -0.51296518 -0.27285755 -1.00763886 5.29561344 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16142-27-1 197942 170466138 Z 3-Morpholinosydnonimine hydrochloride [Cl-].Nc1c[n+](no1)N2CCOCC2 Tox21_113577_1 -NCGC00181350-03 196698357 tox21-ror-cho-viability-p1 set1 -2.4 33.4914596268 -27.404312148 0 -27.404312148 4.9549173134 0.8071709915 0.0068442195 -0.08755485 0.50528783 1.19268661 0.40210344 2.25628993 -3.52137435 -0.41493457 1.32760682 0.51512941 1.55175695 3.66707585 -0.18922658 -8.52648383 -0.00338356 -22.83692679 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 212141-54-3 151194 170466113 A Vatalanib Clc1ccc(cc1)Nc4nnc(Cc2ccncc2)c3ccccc34 Tox21_112808_1 -NCGC00254840-01 196699094 tox21-ror-cho-viability-p1 set1 -2.1 19.3311819617 -77.4363467289 -0.4315276959 -77.8678744248 2.7867712143 0.9968352156 0 -2.2538751 -3.22756157 -0.17083869 -0.88690499 0.37251948 -0.32689982 -0.23290377 -0.21932785 -0.68048606 0.01591172 -0.68819987 -6.08081142 -38.17765852 -68.94275748 -23.09440396 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1070-70-8 70613 144211255 A A 1,4-Butanediol diacrylate O=C(OCCCCOC(=O)C=C)C=C Tox21_300938 -NCGC00254558-01 196698682 tox21-ror-cho-viability-p1 set1 4 0.0015355304 12.852265964 -12.352265964 0.5 4.9549173134 0.6633333046 0.0684421389 -10.29355497 2.01041529 -2.42766203 -1.6097654 -2.01285944 1.94306948 -0.03766073 1.027015 -1.92488887 0.69408896 3.04041097 1.16680379 -0.80536345 3.62340409 -7.52879163 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60168-88-9 43226 144210967 A A Fenarimol OC(c1ccccc1Cl)(c2cncnc2)c3ccc(Cl)cc3 Tox21_300650 -NCGC00254988-01 196698693 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -35.714233444 2.5 -33.214233444 4.9549173134 0.9221781499 0.0000899198 -0.0869566 6.84384772 2.16260179 -0.28117646 0.74153044 1.38391484 4.27421142 0.02858596 1.66058833 5.55725824 2.72001543 0.34934309 4.01654798 0.37893016 -26.42852787 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69327-76-0 50367 144211405 A A Buprofezin CC(C)(C)/N=C2\SCN(c1ccccc1)C(=O)N2C(C)C Tox21_301088 -NCGC00255088-01 196698694 tox21-ror-cho-viability-p1 set1 4 3.17569205 -2.72757422 -4.50823943 -1.59033981 -1.46618377 -3.34489033 -1.77478652 -6.3678024 -3.30418892 -5.37816477 -1.29691768 2.15048793 -5.56683845 -5.70493187 -0.20707512 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 127-63-9 31386 144211507 Ac Ac Diphenylsulfone O=S(=O)(c1ccccc1)c2ccccc2 Tox21_301190 -NCGC00253988-01 196699553 tox21-ror-cho-viability-p1 set1 4 0.77592115 -3.83281227 -0.6757158 -0.09748236 -0.05792899 0.35887849 8.26945974 -0.35380772 0.07725728 -0.50041766 0.2438358 0.65151777 -8.25694498 2.03705873 -4.80690522 5.739E-10 1.283E-9 2.87E-9 6.417E-9 1.435E-8 3.2079999999E-8 7.1739999999E-8 1.6039999999E-7 3.587E-7 8.021E-7 0.0000017939999999 0.00000401 0.000008968 0.00002005 0.00004484 10016-20-3 444913 144210622 A alpha-Cyclodextrin O[C@@H]2[C@@H](O)[C@@H]1O[C@H]7O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]2O[C@@H]1CO)[C@H](O)[C@H]3O)[C@H](O)[C@H]4O)[C@H](O)[C@H]5O)[C@H](O)[C@H]6O)[C@H](O)[C@H]7O Tox21_300302 -NCGC00091657-02 196699115 tox21-ror-cho-viability-p1 set1 4 -3.13911226 -0.52999363 -3.12749601 0.04497218 -0.98590162 -3.31530132 -2.48269491 -4.83617694 -9.28207458 -1.87396744 3.75316438 -4.59083637 1.52995738 -4.83673423 5.42577965 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00255052-01 196699121 tox21-ror-cho-viability-p1 set1 4 -0.71975642 -1.34174434 1.22180813 1.49028066 -0.05050195 1.01673314 -1.6556402 4.46432604 1.02516961 1.14394412 0.44466546 5.48783561 1.15953084 5.43578672 4.66707511 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 153719-23-4 107646 144211471 A A Thiamethoxam Clc2ncc(CN/1COCN(C)C\1=N\[N+]([O-])=O)s2 Tox21_301154 -NCGC00254344-01 196699545 tox21-ror-cho-viability-p1 set1 -2.4 30.6378586933 -24.139261412 1 -23.139261412 4.9549173134 0.8046528485 0.0072065218 0.41107537 0.2378127 1.97437845 -0.49691558 -3.90591917 0.16285075 1.7993447 1.34154081 3.20648081 4.02450368 -2.39728651 -0.41856289 8.38223472 -25.94938451 -18.75986993 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 824-78-2 13214 144210795 A A Sodium 4-nitrophenolate [Na+].O=[N+]([O-])c1ccc([O-])cc1 Tox21_300477 -NCGC00254152-01 196699945 tox21-ror-cho-viability-p1 set1 4 -3.06812744 -1.58509957 -2.56679924 -5.04844743 -2.29590322 -8.49700483 -0.49479734 -2.69472407 -0.48595306 -0.03713573 -0.40010384 -8.69328404 -1.02919639 -2.66623647 -5.85837957 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47362 53316380 144210563 F SSR150106 O=C(OCC)[C@@]2(Oc1ccccc1[C@@H]2N)c3ccccc3 Tox21_300243 -NCGC00254737-01 196699968 tox21-ror-cho-viability-p1 set1 4 -3.94310811 -0.07834704 -1.36442038 -4.21132015 -3.78859183 0.01207348 -1.6191976 -0.14747492 -4.33318038 0.40206391 -5.22410713 -3.82693769 2.19157441 -1.08750952 -1.13487619 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 42509-80-8 39223 144211150 A A Isazofos CC(C)n1nc(OP(=S)(OCC)OCC)nc1Cl Tox21_300833 -NCGC00254775-01 196699969 tox21-ror-cho-viability-p1 set1 4 -2.85039914 -3.40884733 -1.08278277 -6.53554891 -1.08354869 -4.33597057 0.19240568 -1.56507777 -3.59611299 -2.98084225 -0.29063625 0.2537411 -0.22891421 -1.09823606 0.54241307 1.344E-9 3.005E-9 6.719E-9 1.5019999999E-8 3.359E-8 7.512E-8 1.68E-7 3.7559999999E-7 8.398E-7 0.0000018779999999 0.000004199 0.000009389 0.000021 0.00004695 0.00010499999999 149877-41-8 176879 144211188 A A Bifenazate COc1ccc(cc1NNC(=O)OC(C)C)c2ccccc2 Tox21_300871 -NCGC00256023-01 196700369 tox21-ror-cho-viability-p1 set1 4 -2.61375356 3.34597209 -6.47062103 0.55073137 -0.87814467 0.5465005 -0.58588381 0.52836385 4.51326066 4.42653021 7.64017456 -2.63353261 -0.36195069 0.76025472 5.49556561 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 472-66-2 61124 144212601 Z F 2,6,6-Trimethyl-1-cyclohexene-1-acetaldehyde CC=1CCCC(C)(C)C=1CC=O Tox21_302284 -NCGC00258927-01 196708498 tox21-ror-cho-viability-p1 set2 4 64.6332073156 -26.132013628 2.5 -23.632013628 4.5044702849 0.8945416093 0.0004230203 5.85123945 0.13631111 6.27809017 2.09978375 1.40701497 0.12708704 2.97491873 2.01528731 2.82147084 5.13307818 1.83734742 2.60103489 0.75784067 0.02305994 -18.44334469 1.123E-9 2.51E-9 5.6129999999E-9 1.255E-8 2.806E-8 6.275E-8 1.403E-7 3.138E-7 7.016E-7 0.000001569 0.0000035079999999 0.000007844 0.000017539999999 0.000039219999999 0.0000877 51218-45-2 4169 144208574 A A Metolachlor ClCC(=O)N(C(C)COC)c1c(C)cccc1CC Tox21_201376 -NCGC00255536-01 196710561 tox21-ror-cho-viability-p1 set2 4 2.13195375 1.93506024 1.04505559 0.35173241 3.38725348 3.34138925 0.17309939 -0.13697734 0.35763868 0.79561362 0.11018734 0.07654734 1.26605617 2.30286855 5.1269168 9.615E-10 2.15E-9 4.807E-9 1.0749999999E-8 2.404E-8 5.3749999999E-8 1.202E-7 2.6869999999E-7 6.0089999999E-7 0.000001344 0.0000030049999999 0.000006719 0.000015019999999 0.00003359 0.00007512 2870-32-8 17880 144211796 Bc C.I. Direct Yellow 12 [Na+].[Na+].O=S([O-])(=O)c3cc(ccc3C=Cc2ccc(/N=N/c1ccc(OCC)cc1)cc2S([O-])(=O)=O)/N=N/c4ccc(OCC)cc4 Tox21_301479 -NCGC00259061-01 196708519 tox21-ror-cho-viability-p1 set2 4 4.83103678 -1.34647843 7.70951164 3.34876329 0.31212132 2.15865163 -0.20690998 0.87142971 -0.43412996 1.87384387 -0.19640499 2.9643128 3.86326188 1.59199068 -1.60343427 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004128 0.00009231 75-99-0 6418 144208708 A A Dalapon CC(Cl)(Cl)C(=O)O Tox21_201510 -NCGC00259254-01 196708501 tox21-ror-cho-viability-p1 set2 -2.2 48.7553235558 -42.3463252835 1 -41.3463252835 2.4729283767 0.9801463789 4.57E-8 0.77981411 2.9926655 1.2990817 2.22634065 0.47208129 1.38979882 1.75325992 -0.42211991 -0.16047217 -1.1233362 1.97154039 -2.58714628 -1.18855828 -16.0312495 -34.35327673 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.961E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.000003701 0.000008275 0.0000185 0.00004137 0.000092519999999 379-79-3 9787 144208903 D Ergotamine D-tartrate O=C(O)[C@H](O)[C@@H](O)C(=O)O.CN2C[C@@H](C=C1c3cccc4ncc(C[C@H]12)c34)C(=O)N[C@]5(C)O[C@]8(O)N(C5=O)[C@@H](Cc6ccccc6)C(=O)N7CCC[C@H]78.CN2C[C@@H](C=C1c3cccc4ncc(C[C@H]12)c34)C(=O)N[C@]8(C)O[C@]7(O)N([C@@H](Cc5ccccc5)C(=O)N6CCC[C@H]67)C8=O Tox21_201705 -NCGC00259617-01 196708507 tox21-ror-cho-viability-p1 set2 4 -0.02072819 0.21562474 0.19808541 4.14004278 -2.29585123 -2.58609827 1.71453651 -0.46071526 -0.38193221 -0.65306577 -0.25129061 -1.57092057 -0.07404968 2.37865468 2.75301107 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.9479999999E-8 6.591E-8 1.474E-7 3.295E-7 7.369E-7 0.000001648 0.000003684 0.000008239 0.00001842 0.00004119 0.00009211 78491-02-8 62277 144209266 D Diazolidinyl urea OCN1C(=O)N(CO)C(=O)C1N(CO)C(=O)NCO Tox21_202068 -NCGC00094532-06 196708520 tox21-ror-cho-viability-p1 set2 4 -2.29781412 -1.88804026 -0.02597911 -3.79845745 -1.68658488 -0.95617724 -1.2043402 0.98697613 -0.57326523 1.69049169 0.1115563 -1.46143047 -0.16698531 0.48850845 -3.96089371 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00259537-01 196708926 tox21-ror-cho-viability-p1 set2 4 0.001560549 22.940706748 -23.440706748 -0.5 4.9549173134 0.5168233973 0.1636151827 -19.53392229 3.66685335 3.05027409 3.56792105 0.38958901 -0.31932853 -14.77435996 -0.70262558 -0.05918571 0.49502799 2.08430685 -2.08163722 -4.53226593 -0.89883205 -0.24973365 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.000001671 0.000003737 0.000008357 0.00001869 0.000041779999999 0.00009343 5234-68-4 21307 144209186 A A Carboxin O=C(Nc1ccccc1)C=2SCCOC=2C Tox21_201988 -NCGC00259886-01 196708937 tox21-ror-cho-viability-p1 set2 -2.4 17.0188970548 -22.259634056 1.5 -20.759634056 2.3331733767 0.9437159255 0.0000160908 -0.2549441 0.06778939 1.39301259 2.84784599 4.34455478 0.22017108 3.12720778 2.49292249 0.23712851 0.17301625 0.8112722 1.21265502 -12.51773938 -15.33775012 -21.88302838 1.1679999999E-9 2.6109999999E-9 5.838E-9 1.305E-8 2.919E-8 6.5269999999E-8 1.459E-7 3.2629999999E-7 7.297E-7 0.0000016319999999 0.000003648 0.0000081579999999 0.000018239999999 0.000040789999999 0.000091209999999 2465-27-2 17170 144209535 B D Auramine hydrochloride Cl.CN(C)c1ccc(cc1)C(=N)c2ccc(cc2)N(C)C Tox21_202337 -NCGC00259292-01 196709338 tox21-ror-cho-viability-p1 set2 4 3.42932298 3.09489477 4.04009148 6.43532742 -0.94557268 1.91112423 4.10052832 -0.13433051 2.10144254 0.59372346 0.56367609 4.3047303 2.96612369 1.6504425 1.43047164 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.6299999999E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008287 0.00001853 0.000041439999999 0.00009265 80-09-1 6626 144208941 A A 4,4'-Sulfonyldiphenol Oc1ccc(cc1)S(=O)(=O)c2ccc(O)cc2 Tox21_201743 -NCGC00258815-01 196709339 tox21-ror-cho-viability-p1 set2 4 -4.24152711 -1.46130106 -1.32462043 -1.8944655 -2.19537692 -1.82930157 -0.89193291 -0.77290616 -0.74524093 -1.10317432 0.11528173 -1.31134187 1.15461243 -1.21867285 -1.95630315 1.193E-9 2.667E-9 5.964E-9 1.3339999999E-8 2.982E-8 6.668E-8 1.491E-7 3.3339999999E-7 7.455E-7 0.0000016669999999 0.000003728 0.000008335 0.00001864 0.00004168 0.00009319 80-33-1 6635 144208461 A A Chlorfenson Clc1ccc(cc1)S(=O)(=O)Oc2ccc(Cl)cc2 Tox21_201263 -NCGC00259372-01 196709351 tox21-ror-cho-viability-p1 set2 4 -0.01988301 -0.34128032 -3.65205087 0.56284181 -0.3155576 -1.51331402 -0.38099723 -1.23971375 -1.14051313 -0.13869414 0.04531977 0.03038448 5.05547099 2.4431512 3.97267963 1.193E-9 2.6679999999E-9 5.9659999999E-9 1.3339999999E-8 2.9829999999E-8 6.671E-8 1.4919999999E-7 3.335E-7 7.458E-7 0.000001668 0.0000037289999999 0.0000083379999999 0.00001865 0.000041689999999 0.00009323 89-78-1 16666 144209021 B B dl-Menthol CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O Tox21_201823 -NCGC00257203-01 196727248 tox21-ror-cho-viability-p1 set3 4 1.1941596 -0.65986807 0.04034569 1.60791592 0.22422594 1.65421908 2.76136094 -2.67495538 0.24313275 0.09160206 -1.01903719 -0.62638777 -0.60012309 -0.78335673 -1.14332939 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 98-57-7 7395 144213498 A A 4-Chlorophenyl methyl sulfone O=S(C)(=O)c1ccc(Cl)cc1 Tox21_303181 -NCGC00257258-01 196727673 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -15.6641324599 -1 -16.6641324599 4.9549173134 0.8041162033 0.0074240876 0.6988073 -1.31000837 -1.76189571 -0.60027116 0.76223191 -0.33534599 0 -6.18448872 -1.71515786 -0.92099768 0 -1.42213965 -0.65874593 -1.44058736 -13.88677705 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2095-03-6 91511 144213731 C C Bis[4-(glycidyloxy)phenyl]methane c2cc(OCC1CO1)ccc2Cc4ccc(OCC3CO3)cc4 Tox21_303420 -NCGC00090952-07 196726843 tox21-ror-cho-viability-p1 set3 4 -0.74198381 -0.45212951 0.71932269 4.99830486 3.13081291 4.22566524 5.03275425 2.66421313 7.00001676 3.42568818 5.01204158 3.98181297 2.96015653 4.0936737 3.26762743 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00257151-01 196727257 tox21-ror-cho-viability-p1 set3 4 1.1597619 0.7309948 0.34726676 -0.55389269 -0.25170107 -0.14644402 2.01814618 0.53573678 -0.27114654 0.02262263 0.22307348 6.08481681 1.82309944 2.38167599 -0.54907373 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 629-59-4 12389 144213594 F Fns Tetradecane CCCCCCCCCCCCCC Tox21_303277 -NCGC00257224-01 196727679 tox21-ror-cho-viability-p1 set3 4 0.0054482673 -7.140038232 6 -1.140038232 4.9549173134 0.5036837878 0.1939105905 1.46478395 10.17605261 1.67049565 -0.02006524 -0.16355118 -1.43531725 -1.66334883 -5.95003186 1.41302266 -0.54066157 -1.59447298 -0.48049007 -1.46623479 1.24041421 4.82612826 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 541-02-6 10913 144213487 Ac Fns Decamethylcyclopentasiloxane C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 Tox21_303170 -NCGC00257317-01 196727686 tox21-ror-cho-viability-p1 set3 4 30.6378586933 -20.4850122879 0 -20.4850122879 4.9549173134 0.5843135146 0.1232014419 0.02261974 3.23729723 3.70456605 -5.62073548 0.23800947 4.40945862 -7.46974958 -4.40333821 -0.99670925 0 0 8.23694582 0.81775067 -18.73751024 0.13448842 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1470-79-7 73852 144213797 A A 2,4,4'-Trihydroxybenzophenone O=C(c1ccc(O)cc1O)c2ccc(O)cc2 Tox21_303488 -NCGC00256110-01 196728090 tox21-ror-cho-viability-p1 set3 4 1.5068192 -1.671706 -1.42974253 -3.42593087 0.3385305 0.83617015 2.58318337 -1.35928762 0.97002044 1.20468053 3.40794856 -0.6364558 -0.32841829 -0.62260128 2.68328707 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51282-49-6 171018 144211583 A A Methyl 5-chloro-2-nitrobenzoate O=[N+]([O-])c1ccc(Cl)cc1C(=O)OC Tox21_301266 -NCGC00255751-01 196728102 tox21-ror-cho-viability-p1 set3 4 0.0015355304 12.54740938 -11.54740938 1 4.9549173134 0.6601641097 0.0593097916 -9.62284115 3.12229158 1.72375736 -0.43165153 1.02012334 -0.98328979 4.84500156 -0.82090936 2.11786621 1.35480345 0.85316295 0.2055121 -2.44096433 -0.20206258 0.31621912 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6012-97-1 22344 144211687 A Tetrachlorothiophene Clc1sc(Cl)c(Cl)c1Cl Tox21_301370 -NCGC00256144-01 196728506 tox21-ror-cho-viability-p1 set3 4 1.06894776 5.26257478 5.48386343 -1.1784647 -0.62532647 1.43491871 -0.73757627 4.10352645 3.24144275 3.51901484 4.88863778 -0.25596172 1.06345569 2.24815394 1.63784655 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13932-13-3 61701 144212632 Ac Ac Potassium tetrathionate [K+].[K+].O=S(=O)([O-])SSS([O-])(=O)=O Tox21_302315 -NCGC00256037-01 196728509 tox21-ror-cho-viability-p1 set3 4 -1.56880306 4.39748856 2.42514647 1.40322421 -1.67159683 1.7653623 0.82358236 2.22381082 3.21430426 1.91758247 4.01289556 -4.27135041 -0.12839037 -0.418268 -1.77544993 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 136-30-1 546717 144212114 Ac Sodium dibutylcarbamodithioate [Na+].[S-]C(=S)N(CCCC)CCCC Tox21_301797 -NCGC00255845-01 196728516 tox21-ror-cho-viability-p1 set3 -1.2 3.3114276472 -35.5357074271 3.5 -32.0357074271 4.4494702849 0.9828206769 1.97E-8 -0.33120795 3.43639875 1.97501864 1.46663265 3.20111588 3.31441428 3.6779107 5.8486129 5.60246243 2.67204411 4.5832126 -17.87229658 -29.24448654 -34.93302857 -31.23644351 5.3089999999E-10 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.968E-8 6.6359999999E-8 1.484E-7 3.318E-7 7.4189999999E-7 0.000001659 0.0000037099999999 0.000008295 0.00001855 0.000041469999999 134523-03-8 60822 144212690 A A Atorvastatin calcium [Ca+2].O[C@H](CCn1c(c(c(c1C(C)C)C(=O)Nc2ccccc2)c3ccccc3)c4ccc(F)cc4)C[C@@H](O)CC([O-])=O.[O-]C(=O)C[C@H](O)C[C@H](O)CCn4c(c1ccc(F)cc1)c(c2ccccc2)c(C(=O)Nc3ccccc3)c4C(C)C Tox21_302373 -NCGC00255657-01 196728521 tox21-ror-cho-viability-p1 set3 4 54.4826732819 17.30832 -1.30832 16 3.9899729863 0.3976231031 0.2742024178 2.61701245 -8.96220139 2.29342313 0.09258816 -6.03454817 -9.4236 -1.12575162 4.61321331 -1.73456533 10.05666933 -1.77836908 -2.43034646 -2.64557279 3.37698416 14.20152141 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4845-50-5 96170 144211723 A A 1,4-Dioxane-2,3-diol OC1OCCOC1O Tox21_301406 -NCGC00254395-01 196700015 tox21-ror-cho-viability-p1 set1 4 3.06679302 1.34875596 2.77079672 1.19927433 0.95148681 -1.14646972 2.11766519 2.07875832 2.41416475 3.13786636 0.29971946 3.84680861 0.29234527 1.40747541 0.53057447 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-53-2 3293 144210646 A A Ethoxyquin CCOc1ccc2NC(C)(C)C=C(C)c2c1 Tox21_300328 -NCGC00253986-01 196699582 tox21-ror-cho-viability-p1 set1 4 54.4826732819 7.196316252 -1.696316252 5.5 4.5044702849 0.4530832922 0.2261192676 -4.07812572 -0.7118283 0.14771126 0.5429333 0.28979489 -1.07336028 0.4735651 -1.93626315 -3.68300929 -2.66415756 -5.99693021 -0.04540267 -2.67338975 0.02457517 4.9444148 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-53-4 7242 144210499 A Fc 2-Methylaniline Cc1ccccc1N Tox21_300179 -NCGC00254633-01 196699593 tox21-ror-cho-viability-p1 set1 4 61.130564862 -7.4753145719 2 -5.4753145719 2.9522712143 0.3408346878 0.334903514 2.51892642 1.55999177 0.94195839 -0.42933724 -0.30986092 1.00871077 6.97558322 0.04427735 1.68197921 1.91469697 5.60052563 0.75083369 0.98700572 0.47387983 -3.72942881 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 759-94-4 12968 144211044 A A EPTC CCCN(CCC)C(=O)SCC Tox21_300727 -NCGC00090780-04 196699599 tox21-ror-cho-viability-p1 set1 4 -2.57133026 -5.38368961 -4.26217756 -8.38084179 -3.48879598 -1.80921786 0.07392447 0.23134963 -4.83611544 0.7155205 -6.86928958 -3.23993102 -2.82619248 -0.08297733 1.07371418 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00255500-01 196700422 tox21-ror-cho-viability-p1 set1 4 -1.78476057 -2.50572694 -5.32766537 -0.64240363 -1.02430562 -2.31695465 -2.68346345 -5.13968715 -7.55967021 -6.00226178 -8.43167979 -6.1344197 -3.37789347 -10.15437297 1.30299586 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-36-9 222464 144212400 A B N-(2,4-Dimethylphenyl)-3-oxobutanamide O=C(Nc1ccc(C)cc1C)CC(C)=O Tox21_302083 -NCGC00255839-01 196700426 tox21-ror-cho-viability-p1 set1 4 1.63518249 2.58402373 0.56405244 1.76949575 -1.87722954 2.58121532 -2.43832744 -3.39036967 1.83516208 -0.61248175 1.76594979 3.31128518 2.04894102 -1.77382903 -2.95704907 1.149E-9 2.569E-9 5.7449999999E-9 1.285E-8 2.8729999999E-8 6.4229999999E-8 1.436E-7 3.212E-7 7.182E-7 0.000001606 0.000003591 0.0000080289999999 0.00001795 0.00004015 0.000089769999999 97-78-9 7348 144211669 A A N-Dodecanoyl-N-methylglycine O=C(CCCCCCCCCCC)N(C)CC(=O)O Tox21_301352 -NCGC00255794-01 196700427 tox21-ror-cho-viability-p1 set1 4 1.2184748406 -10.1532099999 -1 -11.1532099999 1.4641 0.5856989903 0.1223127698 -2.04018129 -2.60263005 0.03385248 0.40702282 -2.02985958 -1.8806396 -1.49477917 -2.38597947 -3.90234998 -4.58504187 -17.627675 -2.83796143 -16.00279427 -9.21485153 -1.23197093 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 143-24-8 8925 144212464 A A 2,5,8,11,14-Pentaoxapentadecane COCCOCCOCCOCCOC Tox21_302147 -NCGC00256008-01 196700829 tox21-ror-cho-viability-p1 set1 4 -1.28128601 -2.77785796 -2.95138599 0.18874408 -1.34984228 -2.55086851 -1.82742106 -4.48454422 -0.43976803 -4.4138776 -3.14584145 0.08897831 -2.66867009 -1.83925257 0.72471555 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 924-88-9 70213 144211858 A Ac Dipropan-2-yl butanedioate CC(C)OC(=O)CCC(=O)OC(C)C Tox21_301541 -NCGC00255635-01 196700830 tox21-ror-cho-viability-p1 set1 4 1.2486405 2.15137432 0.12155353 1.32282381 0.93669787 3.32287972 1.16378325 4.50730009 0.67989665 4.0823417 1.41981993 0.05039863 1.21975136 3.86167838 -1.12965763 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5205-93-6 78882 144211988 A A N-[3-(Dimethylamino)propyl]methacrylamide CN(C)CCCNC(=O)C(=C)C Tox21_301671 -NCGC00256295-01 196700841 tox21-ror-cho-viability-p1 set1 4 -3.41739772 -3.37684648 -4.61102099 -0.80579342 -2.3080034 -3.21300128 1.10360784 -1.59679534 -0.28787286 -0.06488634 -5.40492324 -0.39037446 0 0.93090168 0.70186857 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13491-79-7 26068 144211597 A I 2-tert-Butylcyclohexanol CC(C)(C)C1CCCCC1O Tox21_301280 -NCGC00255846-01 196701247 tox21-ror-cho-viability-p1 set1 4 3.60352606 4.46294336 3.40630936 4.28998847 1.92444746 -1.33844169 1.36215086 4.15112694 -2.38442058 3.58299353 -1.28452153 1.30097339 3.82726165 5.83425312 1.15337221 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6425-39-4 80900 144211629 A 4,4'-(Oxydiethylene)bis(morpholine) O(CCN1CCOCC1)CCN2CCOCC2 Tox21_301312 -NCGC00255113-01 196701248 tox21-ror-cho-viability-p1 set1 -2.2 30.6378586933 -53.77685124 -3.032561112 -56.809412352 3.1319983358 0.9874238385 3.2E-9 -2.12292357 -3.74395657 -2.88654465 -3.31728371 -3.72041924 -4.46669221 -2.55825891 -5.0174261 -4.10960225 -1.0301638 1.14913992 -3.81880787 -13.00806121 -40.32603598 -59.1764712 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26049-70-7 4373502 144212077 D 2-Hydrazino-4-(4-nitrophenyl)thiazole NNc1nc(cs1)c2ccc(cc2)[N+]([O-])=O Tox21_301760 -NCGC00255411-01 196701251 tox21-ror-cho-viability-p1 set1 4 -1.09302528 -6.67562598 -4.82117805 -3.40847535 -6.15051159 -3.23309053 -7.960653 -4.24747731 -4.54922025 0.92887234 -2.02734366 0.59329754 -1.01639615 -2.47937594 1.01020512 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1928-38-7 1488 144211739 A A 2,4-D-methyl Clc1cc(Cl)ccc1OCC(=O)OC Tox21_301422 -NCGC00091044-02 196701623 tox21-ror-cho-viability-p1 set1 4 0.42013794 -0.2492946 1.56699842 0.98612265 2.92225761 -2.24865839 4.16391536 -2.66754019 5.2772354 0.44524897 4.12825065 4.90958465 2.81401288 1.30736228 4.30999594 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00256275-01 196701214 tox21-ror-cho-viability-p1 set1 4 68.5896218971 17.026997928 -0.526997928 16.5 4.9549173134 0.748039088 0.0203020291 0.75976847 -2.63143958 -2.38021123 1.87951227 2.1180057 1.4864607 -1.613389 -4.18916494 -3.74573537 -2.53043312 0.40759075 -0.91584193 1.95752378 -0.10326384 13.48400482 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-83-0 23662382 144212113 A A Sodium 3-chloro-2-hydroxypropane-1-sulfonate [Na+].ClCC(O)CS([O-])(=O)=O Tox21_301796 -NCGC00255828-01 196701217 tox21-ror-cho-viability-p1 set1 4 1.29853086 -0.04015247 -0.43340504 1.35998601 2.26538899 10.45768792 0.21547682 3.71697797 0.02494061 2.45897833 1.72593688 -0.18370012 -0.92292669 1.83148097 0.54889785 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 28730-17-8 34313 144211649 A A Methfuroxam Cc2c(C)oc(C)c2C(=O)Nc1ccccc1 Tox21_301332 -NCGC00258539-01 196701622 tox21-ror-cho-viability-p1 set1 -2.4 19.5279364778 -28.4627438 -2 -30.4627438 0.4 0.7618566953 0.0161680364 -5.3138969 -2.0618942 0.67633506 -4.84472011 -7.91919005 4.53707969 -5.36330133 -10.505471 -8.51350819 -11.59926628 -13.22880876 -10.58974063 -14.0123553 -18.29344999 -22.0522865 1.19E-9 2.661E-9 5.95E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003719 0.000008315 0.00001859 0.00004158 0.00009297 117-10-2 2950 144208184 A A Danthron Oc3cccc2C(=O)c1cccc(O)c1C(=O)c23 Tox21_200986 -NCGC00258096-01 196701627 tox21-ror-cho-viability-p1 set1 4 3.8196982 0.93178714 -0.96491764 8.24061287 -0.05548064 0.60789405 4.02542343 5.94868752 4.61329471 -11.36053944 1.90682662 1.66017912 1.68262609 -2.44514753 -0.99633722 1.195E-9 2.672E-9 5.976E-9 1.336E-8 2.988E-8 6.6809999999E-8 1.494E-7 3.341E-7 7.47E-7 0.0000016699999999 0.000003735 0.000008352 0.00001867 0.000041759999999 0.00009337 13020-57-0 83050 144207740 A A 3-Hydroxybenzophenone O=C(c1cc(O)ccc1)c2ccccc2 Tox21_200542 -NCGC00258344-01 196701633 tox21-ror-cho-viability-p1 set1 4 10.86028174 5.62276264 7.3104472 8.17487536 4.64124247 8.4764126 5.49086225 7.76912678 8.47715339 3.84629462 2.95910699 0.73368929 11.3607503 2.01552639 3.93499411 1.237E-9 2.7659999999E-9 6.184E-9 1.383E-8 3.0919999999E-8 6.914E-8 1.5459999999E-7 3.457E-7 7.731E-7 0.000001729 0.000003865 0.000008643 0.000019329999999 0.00004321 0.000096629999999 74-97-5 6333 144207988 FC Bromochloromethane BrCCl Tox21_200790 -NCGC00257735-01 196702028 tox21-ror-cho-viability-p1 set1 4 27.9180680367 -14.557512012 2.5 -12.057512012 4.9549173134 0.7518906259 0.024903049 6.49825262 0.47030894 0.55413777 2.31162459 3.1315546 -0.12780845 3.63595302 4.43392576 4.34209291 1.31042455 5.64212828 0.14211573 0.62219175 -10.88126001 -1.96418726 1.202E-9 2.688E-9 6.0109999999E-9 1.344E-8 3.005E-8 6.7199999999E-8 1.503E-7 3.36E-7 7.5139999999E-7 0.0000016799999999 0.0000037569999999 0.000008401 0.00001878 0.000042 0.00009392 7646-78-8 24287 144207379 Tetrachlorostannane Cl[Sn](Cl)(Cl)Cl Tox21_200181 -NCGC00258470-01 196702043 tox21-ror-cho-viability-p1 set1 4 0.0033922279 -7.994272012 7 -0.994272012 4.4494702849 0.4667730816 0.2104753671 6.43571036 6.43096636 -2.04862157 -0.83827299 0.92476464 -0.63886578 -0.42460784 0.27198605 -0.63673612 -0.74146272 -5.82856001 -0.89432772 5.73319968 -0.47753422 -5.72969843 1.167E-9 2.609E-9 5.8329999999E-9 1.304E-8 2.917E-8 6.522E-8 1.458E-7 3.261E-7 7.2909999999E-7 0.0000016299999999 0.000003646 0.000008152 0.00001823 0.000040759999999 0.00009114 625-69-4 12262 144208114 A I 2,4-Pentanediol CC(O)CC(C)O Tox21_200916 -NCGC00258744-01 196702049 tox21-ror-cho-viability-p1 set1 4 0.38460613 4.33054874 3.69909308 7.0147242 2.36958575 5.21007431 0.16810465 2.05904962 -0.06363115 -0.12495387 0.57995348 4.04713931 0.16859036 3.55421006 0.3766964 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9569999999E-8 6.613E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003697 0.000008266 0.00001848 0.00004133 0.000092409999999 7779-30-8 5371084 144208390 C Bc 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1-penten-3-one CC1(C)CCC=C(C)C1/C=C/C(=O)CC Tox21_201192 -NCGC00258430-01 196702441 tox21-ror-cho-viability-p1 set1 4 42.9252797402 -14.0632258919 1 -13.0632258919 3.0654483358 0.7016131951 0.0377613923 0.1706542 -1.94262624 0.13578212 3.01793041 -3.81927951 0.90994266 0.05689102 0.44074849 2.83058074 5.76231839 -0.29241534 1.56136262 2.79690655 -5.75356708 -11.71935491 1.172E-9 2.621E-9 5.8609999999E-9 1.31E-8 2.9299999999E-8 6.552E-8 1.465E-7 3.276E-7 7.326E-7 0.0000016379999999 0.0000036629999999 0.00000819 0.00001831 0.00004095 0.000091569999999 2440-22-4 17113 144208074 A A 2-(2H-Benzotriazol-2-yl)-4-methylphenol Cc1cc(c(O)cc1)n2nc3ccccc3n2 Tox21_200876 -NCGC00091009-05 196699147 tox21-ror-cho-viability-p1 set1 4 2.1858770669 -11.125982716 -2 -13.125982716 4.9549173134 0.6465106975 0.0663361986 -4.99395093 -0.51248076 -5.20009901 -7.1560082 -8.01622082 0.91312335 -0.24872296 -0.76756071 -5.42946005 0.78949151 -15.90779044 -12.15502814 -8.76901589 -13.11937541 -15.93831893 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00254388-01 196698725 tox21-ror-cho-viability-p1 set1 -3 45.0775228087 -56.0776396139 -1.523937734 -57.6015773479 4.9549173134 0.9745660047 1.896E-7 -0.71067195 -0.6812371 -5.75022985 -0.63703186 -3.13116626 -4.00501242 -0.9574483 0.15472955 -0.86275442 0.01747251 -1.88787545 -0.17954408 -5.0442545 -4.42988512 -50.08464779 8.3169999999E-10 1.86E-9 4.159E-9 9.299E-9 2.079E-8 4.6489999999E-8 1.0399999999E-7 2.325E-7 5.198E-7 0.0000011619999999 0.000002599 0.000005812 0.000013 0.000029059999999 0.00006498 789-02-6 13089 144210939 A A o,p'-DDT Clc2ccccc2C(c1ccc(Cl)cc1)C(Cl)(Cl)Cl Tox21_300622 -NCGC00255587-01 196711011 tox21-ror-cho-viability-p1 set2 4 4.09979935 4.44622873 3.1863576 1.44391553 2.5127016 3.11280971 0.53679326 0.53467271 0.64785905 1.25365027 1.29553437 1.01592366 0.91225294 0.40590568 4.24685687 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2631-37-0 17516 144211741 A A Promecarb O=C(Oc1cc(C)cc(c1)C(C)C)NC Tox21_301424 -NCGC00256044-01 196710997 tox21-ror-cho-viability-p1 set2 4 0.0015183693 12.164480528 -11.164480528 1 4.9549173134 0.492277739 0.1874910624 -8.47040044 0.72674364 -0.42418843 -3.37426219 -0.00963576 0.10340086 -0.12739947 -0.33150153 -0.32413576 5.28736685 -0.3638728 0.65352515 4.30290943 -0.98699159 5.30025972 1.1689999999E-9 2.6129999999E-9 5.843E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.461E-7 3.2659999999E-7 7.3029999999E-7 0.0000016329999999 0.000003652 0.0000081649999999 0.00001826 0.000040829999999 0.00009129 55635-13-7 23703451 144212704 A I Alloxydim-sodium [Na+].O=C1CC(C)(C)C(=C([O-])/C1=C(\CCC)NOCC=C)C(=O)OC Tox21_302387 -NCGC00256273-01 196710994 tox21-ror-cho-viability-p1 set2 4 4.91181296 5.71624518 6.17233357 4.75434532 3.47976549 3.33834843 -0.99867359 -0.21735027 1.99597787 1.71082263 4.2349747 -0.08930373 2.80026098 3.08927404 7.08633348 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 928-95-0 5318042 144212156 A (E)-2-Hexen-1-ol CCC\C=C\CO Tox21_301839 -NCGC00256099-01 196711009 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -24.6320075519 -2.5 -27.1320075519 1.8851180601 0.8164657673 0.0055704425 -3.89314408 -0.31202852 -2.96583784 -0.68169998 0.99580489 -1.58234653 -6.74126827 -6.24663484 -0.5493021 -2.81583957 -2.71312304 -1.05654846 -4.64083475 -8.82992245 -19.27667296 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66455-29-6 4292413 144211750 B B N-(Alkyl C10-C16)-N,N-dimethylglycine betaine C[N+](C)(CCCCCCCCCCCC)CC([O-])=O Tox21_301433 -NCGC00258342-01 196711420 tox21-ror-cho-viability-p1 set2 -3 26.9454243393 -50.757924276 -5.218529193 -55.976453469 4.9549173134 0.8816269995 0.0012483479 -4.08824886 -3.34261109 -4.31725421 -7.56957031 -2.36674454 -11.92769956 -4.90233449 -13.66424658 -4.56191207 -6.90970038 -9.06261879 2.30641598 -4.14391765 -54.87887595 22.17874811 1.167E-9 2.609E-9 5.835E-9 1.305E-8 2.917E-8 6.524E-8 1.459E-7 3.262E-7 7.294E-7 0.000001631 0.0000036469999999 0.0000081549999999 0.00001823 0.00004077 0.00009117 52417-22-8 2723598 144207986 A A 9-Aminoacridine, monohydrochloride, monohydrate Cl.O.Nc1c3ccccc3nc2ccccc12 Tox21_200788 -NCGC00357011-01 196711423 tox21-ror-cho-viability-p1 set2 -2.4 18.8336317891 -46.588447442 8.814822667 -37.773624775 1.713743691 0.9339935259 0.0000376828 3.91528465 5.37672892 6.28172933 7.55720754 8.24403746 12.67256903 13.8426674 11.46714651 14.01589158 7.14548028 6.78759852 4.535537 0.19107286 -17.39009315 -29.13233509 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17418-58-5 28531 251919681 Ac C.I. Disperse Red 60 O=C2c1ccccc1C(=O)c3c2c(N)c(cc3O)Oc4ccccc4 Tox21_303924 -NCGC00260061-01 196711426 tox21-ror-cho-viability-p1 set2 4 -2.89655946 -3.88810442 -7.71282654 -12.97499607 -5.7655196 -24.42529919 -41.08145572 -14.90584642 -8.1118739 -2.46639887 -12.96312413 -18.13666565 0 -11.0861494 -9.85178492 1.185E-9 2.6499999999E-9 5.9249999999E-9 1.325E-8 2.9629999999E-8 6.625E-8 1.481E-7 3.312E-7 7.406E-7 0.000001656 0.0000037029999999 0.000008281 0.00001852 0.0000414 0.00009258 141-78-6 8857 144209710 F Ethyl acetate CC(=O)OCC Tox21_202512 -NCGC00357127-01 196711428 tox21-ror-cho-viability-p1 set2 4 8.6349217992 -10.2836092759 1 -9.2836092759 3.9294729863 0.5362800213 0.1635248016 3.30015104 0.87658084 1.1618151 -3.03580981 1.76752399 2.05930171 0.8178609 3.74152935 -0.84323873 -0.60731256 0.5326181 -2.99639955 -16.90300773 -2.04128306 10.05690704 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-48-5 7937 251919847 Ac 2,6-Dimethylpyridine Cc1cccc(C)n1 Tox21_303862 -NCGC00259298-01 196708540 tox21-ror-cho-viability-p1 set2 4 4.48928498 -0.43153508 5.05639885 2.91776636 4.98274345 1.77248313 2.11909501 2.56154433 2.66729198 -0.40647411 3.09633387 3.33885437 3.00409112 1.32286565 3.16603397 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004133 0.000092409999999 496-72-0 10332 144208947 A A 3,4-Diaminotoluene Cc1cc(N)c(N)cc1 Tox21_201749 -NCGC00257027-01 196708114 tox21-ror-cho-viability-p1 set1 4 7.6020620709 -25.369188776 -4.056800188 -29.425988964 0.4 0.5505991123 0.1349310323 -10.70226188 -8.74422154 -4.63830933 -6.62461183 -7.92713782 -1.00110269 -8.68337082 -14.69189986 -15.6806052 -0.04733349 -17.22349718 -18.5444776 -23.27165747 -18.41350384 -22.15025735 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.265E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.00009125 934-32-7 13624 144213437 A A 2-Aminobenzimidazole Nc1nc2ccccc2n1 Tox21_303120 -NCGC00256560-01 196708124 tox21-ror-cho-viability-p1 set1 4 17.2289340586 18.8401056439 -3.8401056439 15 0.3 0.7083682683 0.0347876429 -2.71895365 -2.90996196 -6.53342137 -2.83362007 2.52005218 0.47473705 2.48935783 -0.7312695 4.16191323 0.07104237 1.54046605 3.18512254 6.31420065 4.84614151 11.06231458 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76-25-5 6436 144213331 A A Triamcinolone acetonide OCC(=O)[C@@]54OC(C)(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_303014 -NCGC00256345-01 196708131 tox21-ror-cho-viability-p1 set1 4 3.73193276 2.58658304 0.54293856 -4.31120648 -0.6865038 -5.4485435 0.76940406 -0.16921327 -9.95486404 -0.2523769 -5.7550454 0.23914103 -0.32069891 2.59014655 0.13682843 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 62-44-2 4754 144213212 A A Phenacetin CCOc1ccc(cc1)NC(C)=O Tox21_302895 -NCGC00163919-02 196729765 tox21-ror-cho-viability-p1 set3 4 1.20785299 2.13498354 0.96677872 2.44919798 0.76150314 1.7004698 1.60254875 1.39643601 1.82813239 -0.48822185 1.71708962 0.40701845 1.62462019 -0.23496173 -6.69455737 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00258136-01 196729351 tox21-ror-cho-viability-p1 set3 4 0.78987942 -6.52691194 -5.57009694 -7.33946181 -6.02808935 -5.4594093 -6.91986494 -6.60987358 -4.31622229 -0.77871671 -1.24311775 -1.62158584 -4.50130991 -3.134663 2.1209292 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.397E-7 0.0000016539999999 0.0000036989999999 0.0000082699999999 0.000018489999999 0.00004135 0.00009247 405514-94-5 44630019 144207780 A A Tributylmethylammonium bis(trifluoromethylsulfonyl)imde FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.CCCC[N+](C)(CCCC)CCCC Tox21_200582 -NCGC00258026-01 196729751 tox21-ror-cho-viability-p1 set3 4 1.31233305 0.71523008 0.67712136 -0.45049966 1.98166179 3.4056079 1.85066998 -1.12513946 2.07560082 1.29488746 1.65228116 3.93331228 2.04241032 -0.06711612 0.67432425 1.1699999999E-9 2.615E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.538E-8 1.462E-7 3.269E-7 7.309E-7 0.0000016339999999 0.0000036549999999 0.000008172 0.00001827 0.00004086 0.00009137 622-96-8 12160 144207670 FNS 4-Ethyltoluene Cc1ccc(CC)cc1 Tox21_200472 -NCGC00257625-01 196729755 tox21-ror-cho-viability-p1 set3 -3 69.2178691585 -85.3318209644 -1.229006865 -86.5608278294 4.9549173134 0.9883911254 2E-9 -1.43449507 -2.69472357 1.33743089 0.29585943 -0.94013086 -1.50069832 -0.91821587 1.60687196 -1.72311026 -0.19275114 -6.45220344 -2.63800298 -2.47786718 -6.47045628 -70.68319669 1.189E-9 2.6589999999E-9 5.945E-9 1.3289999999E-8 2.9719999999E-8 6.647E-8 1.486E-7 3.323E-7 7.4309999999E-7 0.000001662 0.000003716 0.0000083079999999 0.000018579999999 0.00004154 0.00009289 434-07-1 5281034 144207269 A A Oxymetholone O=C3C[C@@H]4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@]1(C)O)[C@@]4(C)C\C3=C\O Tox21_200071 -NCGC00258052-01 196729770 tox21-ror-cho-viability-p1 set3 4 1.38305056 3.0738348 3.55884 -0.99323441 2.01488425 -2.07565064 1.4965725 0.15332695 -1.0409725 -0.60390953 2.67203982 0.71061156 2.74934558 0.59514317 -2.68043922 1.2009999999E-9 2.6849999999E-9 6.0039999999E-9 1.3429999999E-8 3.002E-8 6.7129999999E-8 1.501E-7 3.356E-7 7.505E-7 0.0000016779999999 0.0000037519999999 0.000008391 0.00001876 0.00004195 0.00009381 1072-53-3 14075 144207696 FNS Ethylene glycol, cyclic sulfate O=S1(=O)OCCO1 Tox21_200498 -NCGC00258583-01 196730165 tox21-ror-cho-viability-p1 set3 -3 63.5004416718 -80.4980444148 2.8197812745 -77.6782631403 4.9549173134 0.9857768369 6.5E-9 0.45577536 4.22778915 -0.8060944 -0.99623929 5.60575297 0.43416869 4.2700462 1.26775361 3.35217721 5.34753571 3.84448132 4.8698366 1.30378841 -6.76199728 -67.99862154 1.218E-9 2.723E-9 6.0889999999E-9 1.3619999999E-8 3.045E-8 6.808E-8 1.522E-7 3.4039999999E-7 7.611E-7 0.000001702 0.000003806 0.00000851 0.00001903 0.00004255 0.00009514 123-30-8 403 144208228 C 4-Aminophenol Nc1ccc(O)cc1 Tox21_201030 -NCGC00258086-01 196730170 tox21-ror-cho-viability-p1 set3 4 -0.32672941 -5.89822579 -4.34052697 -3.94775886 -1.45763085 -2.6273007 -1.83016629 -5.84379501 -5.58191865 -3.54998211 -1.26101708 -0.99282121 -4.9523635 -2.13192952 0.28558328 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004124 0.00009223 1821-02-9 74563 144207730 B B 2-Oxopentanoic acid CCCC(=O)C(=O)O Tox21_200532 -NCGC00255930-01 196728995 tox21-ror-cho-viability-p1 set3 4 0.55828654 9.43447136 2.17952865 10.60195521 3.93015994 -1.53742435 2.26630709 4.68211408 9.95172628 10.87209382 5.12311143 5.07321701 11.08100624 3.89977013 1.17206166 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 116-66-5 67005 144212554 A A 1,1,3,3,5-Pentamethyl-4,6-dinitro-2,3-dihydro-1H-indene [O-][N+](=O)c1cc2c(c(c1C)[N+]([O-])=O)C(C)(C)CC2(C)C Tox21_302237 -NCGC00255373-01 196728179 tox21-ror-cho-viability-p1 set3 4 2.4336516212 11.360284472 -2.360284472 9 4.9549173134 0.6207674767 0.0825615372 0.03421895 -4.20916751 5.52730539 -2.58155132 -2.5305368 -7.46074075 -1.77444209 -1.36302255 -0.2019952 -7.80023706 13.00478668 2.51262622 13.25173243 6.5668651 10.38751383 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3734-33-6 19518 144211904 C C Denatonium benzoate O=C(Nc1c(C)cccc1C)C[N+](Cc2ccccc2)(CC)CC.[O-]C(=O)c1ccccc1 Tox21_301587 -NCGC00255401-01 196728181 tox21-ror-cho-viability-p1 set3 4 6.1130564862 13.88116704 0.61883296 14.5 0.9999999999 0.3263863625 0.3574540058 1.2156237 -7.78167618 -0.2543851 0.01617585 -0.79719683 14.73467181 9.65063629 -9.0676392 1.2757557 0.29876397 6.61577008 12.68932207 9.75131402 11.90891499 -5.59834087 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 61-68-7 4044 144212300 A A Mefenamic acid O=C(O)c2ccccc2Nc1cccc(C)c1C Tox21_301983 -NCGC00256289-01 196728597 tox21-ror-cho-viability-p1 set3 -3 68.1713220381 -127.0873804524 -1.8614010995 -128.9487815519 4.9549173134 0.8751845433 0.0009507785 -0.32420653 -3.58466461 -0.50187196 -5.46254634 -6.69471599 -9.12225115 -10.87106346 -11.77901399 -10.31833388 7.84931599 -10.68597501 16.63608868 3.21117856 11.70794201 -107.45731796 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 54527-84-3 41114 144212149 A A Nicardipine hydrochloride Cl.CC=2NC(C)=C(C(C=2C(=O)OCCN(C)Cc1ccccc1)c3cccc(c3)[N+]([O-])=O)C(=O)OC Tox21_301832 -NCGC00255110-01 196728998 tox21-ror-cho-viability-p1 set3 4 -2.97192599 -3.20009227 0.63682528 -0.80587738 1.35899672 4.45318632 3.58957527 -0.70292589 3.97161888 -0.19544827 0.18473967 -6.90390635 -5.74428007 3.41790371 3.09429843 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 464-45-9 1201518 144212602 A A [(1S)-endo]-(-)-Borneol C[C@@]12CC[C@@H](C[C@H]1O)C2(C)C Tox21_302285 -NCGC00258010-01 196702097 tox21-ror-cho-viability-p1 set1 4 1.44886575 -0.16538366 2.69459415 3.25529108 -0.81364034 3.34443442 1.21046725 1.67184863 4.43616061 -0.83118069 -1.63525808 0.77935802 -0.0922662 0.6119513 2.05800383 1.1839999999E-9 2.647E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.618E-8 1.4799999999E-7 3.309E-7 7.399E-7 0.000001655 0.0000037 0.0000082729999999 0.0000185 0.00004136 0.000092489999999 2425-54-9 17043 144207654 BC Fns 1-Chlorotetradecane CCCCCCCCCCCCCCCl Tox21_200456 -NCGC00257905-01 196702089 tox21-ror-cho-viability-p1 set1 4 0.0476702417 -10.3776818319 -2 -12.3776818319 0.4 0.4960983632 0.200198635 -9.65769144 0.47481917 -0.91519856 -6.34260797 -9.6660998 -7.51731942 -10.68089651 -9.27172709 -7.45214577 -9.31876204 -11.80393002 -9.83604172 -12.37017139 -12.81473486 -7.45703477 1.162E-9 2.599E-9 5.812E-9 1.2999999999E-8 2.9059999999E-8 6.4979999999E-8 1.453E-7 3.249E-7 7.265E-7 0.000001624 0.000003632 0.000008122 0.00001816 0.00004061 0.000090809999999 67634-00-8 106729 144207549 A A Prop-2-en-1-yl (3-methylbutoxy)acetate CC(C)CCOCC(=O)OCC=C Tox21_200351 -NCGC00258714-01 196702099 tox21-ror-cho-viability-p1 set1 4 2.92644834 0.60232118 0.15950313 3.93398823 3.85655964 0.73158722 5.9932581 1.50059411 -0.97342483 -0.09935898 -0.14777471 0.3504999 0.23952834 5.29150368 0.43019286 1.1699999999E-9 2.6159999999E-9 5.85E-9 1.3079999999E-8 2.925E-8 6.54E-8 1.462E-7 3.27E-7 7.3119999999E-7 0.000001635 0.000003656 0.000008176 0.00001828 0.00004088 0.00009141 1562-94-3 15277 144208360 A A 4-Azoxyanisole COc2ccc(\N=[N+](\[O-])c1ccc(OC)cc1)cc2 Tox21_201162 -NCGC00257653-01 196702497 tox21-ror-cho-viability-p1 set1 4 -10.26962014 -12.47465229 -6.18134365 -5.22102428 -11.53438135 -0.3636315 -7.66295422 -7.3572016 -7.27752064 -6.65564858 -10.28856689 -12.13362694 -15.42710241 -9.33634997 -9.76579174 1.2069999999E-9 2.699E-9 6.034E-9 1.349E-8 3.017E-8 6.747E-8 1.509E-7 3.373E-7 7.5429999999E-7 0.000001687 0.0000037709999999 0.0000084329999999 0.00001886 0.00004217 0.00009429 3148-73-0 72884 144207297 A B Diacetyl hydrazine CC(=O)NNC(C)=O Tox21_200099 -NCGC00258379-01 196702499 tox21-ror-cho-viability-p1 set1 4 1.6288588 0.1429917 2.82137922 2.94866062 3.91059712 2.75405156 6.47842724 -1.6606743 6.24503042 -0.10813726 5.02647237 1.50655292 6.5383825 5.58275384 4.13144546 1.2009999999E-9 2.686E-9 6.005E-9 1.3429999999E-8 3.003E-8 6.714E-8 1.501E-7 3.3569999999E-7 7.507E-7 0.000001679 0.000003753 0.000008393 0.000018769999999 0.00004196 0.000093829999999 792188-85-3 53316418 144208023 A A Diethylmethylsulfonium bis(trifluoromethylsulfonyl)imide FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.CC[S+](C)CC Tox21_200825 -NCGC00257838-01 196702511 tox21-ror-cho-viability-p1 set1 4 -1.45165104 -0.97314141 -2.66094477 2.36955656 -0.3324436 -0.43430833 -4.41203609 2.44106353 -1.70495874 1.68315829 0.76595597 -1.09144111 -2.09198456 -4.27622172 -0.70531156 1.278E-9 2.858E-9 6.391E-9 1.429E-8 3.195E-8 7.145E-8 1.598E-7 3.573E-7 7.989E-7 0.000001786 0.000003994 0.0000089309999999 0.000019969999999 0.000044659999999 0.00009986 111-91-1 8147 144207482 D Bis(2-chloroethoxy)methane ClCCOCOCCCl Tox21_200284 -NCGC00357275-01 196702913 tox21-ror-cho-viability-p1 set1 -1.1 3.4376242854 -97.2600920297 1.8186665909 -95.4414254388 1.6266150999 0.9975894763 0 0.45738574 2.3535767 2.48483007 0.01358032 0.55567861 0.70476864 1.37005199 3.24330915 -8.94379388 -19.4717438 -48.25258561 -76.67377097 -92.24547723 -90.77784017 -93.57002494 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 130-15-4 8530 251919753 Bc 1,4-Naphthoquinone O=C2C=CC(=O)c1ccccc12 Tox21_303967 -NCGC00356948-01 196702914 tox21-ror-cho-viability-p1 set1 4 0.76050118 -2.4621626 -4.47415177 -4.58665097 2.90949926 0.19246598 -0.02661599 -1.47240397 -3.26197113 2.27592673 -4.2195033 -6.8896255 0.21127719 0.5866926 -0.02866147 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 54686-97-4 6850837 251919834 A Bis(p-methylbenzylidene)sorbitol OC[C@@H](O)[C@H]1OC(O[C@H]2COC(O[C@@H]12)c3ccc(C)cc3)c4ccc(C)cc4 Tox21_303848 -NCGC00254951-01 196699620 tox21-ror-cho-viability-p1 set1 -2.4 21.6899429044 -33.2548960359 2.5 -30.7548960359 1.8579476909 0.9715306816 3.614E-7 0.65105806 5.42488242 0.15661936 0.9785139 0.12586456 1.52126065 5.28577659 4.55530854 3.37975773 3.25018576 2.47402359 -2.72606373 -11.36476592 -23.41168163 -28.12908003 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131341-86-1 86398 144211366 A A Fludioxonil N#Cc3cncc3c1cccc2OC(F)(F)Oc12 Tox21_301049 -NCGC00254862-01 196699202 tox21-ror-cho-viability-p1 set1 -1.1 5.4482673282 -87.5520440264 -1.188829601 -88.7408736274 1.5094870999 0.9851341991 8.5E-9 -3.54051374 -1.99579203 -0.2213466 0.59110092 -4.0135456 -2.18800341 -3.11272629 -1.91312509 -2.8759231 -9.60009784 -33.91744204 -64.48518981 -65.90948165 -91.29719509 -86.63675641 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1085-98-9 14145 144211277 A A Dichlofluanid CN(C)S(=O)(=O)N(SC(Cl)(Cl)F)c1ccccc1 Tox21_300960 -NCGC00254069-01 196699209 tox21-ror-cho-viability-p1 set1 4 30.6378586933 -15.825075404 7.5 -8.325075404 1.4780888099 0.7279829405 0.0269336634 1.24028681 6.62259238 6.17266421 9.58638238 10.83669235 11.90136059 6.92567589 7.53874702 8.95729257 6.60051663 6.23815188 7.23851511 0.11407039 0.30835719 -7.77089617 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47311 53257735 144210535 A A GSK163929B CNS(=O)(=O)c1cc(c(Cl)cc1F)C(=O)N2CCC(CC2)(CCN6C3CCC6CC(C3)n4c5ccccc5nc4C)c7cccc(F)c7 Tox21_300215 -NCGC00254085-01 196699606 tox21-ror-cho-viability-p1 set1 4 0.89155262 3.43989244 0.80841046 -2.90593868 -1.39972271 1.01915216 2.14077848 2.55768858 2.97665144 2.95326965 2.71985904 -0.85222183 1.66312638 -0.63284804 2.65605621 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-15-2 7127 144210391 A A Methyleugenol COc1cc(ccc1OC)CC=C Tox21_300071 -NCGC00254464-01 196699623 tox21-ror-cho-viability-p1 set1 4 0.83913392 -1.05349948 0.05451753 0.74662869 -1.08094451 -3.76667596 -0.37751436 0.22861975 2.54270326 0.14763631 -4.57615648 -4.24303489 2.5391833 -5.15713569 6.17588967 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-82-0 8139 144210872 A Fns Methyl dodecanoate O=C(CCCCCCCCCCC)OC Tox21_300555 -NCGC00255326-01 196700410 tox21-ror-cho-viability-p1 set1 -1.1 1.9331181962 -73.8265209968 -2.2435184899 -76.0700394867 4.9549173134 0.9881970049 0.0000018863 -2.45203682 -0.42243187 -7.0191457 -1.83262386 -2.60297656 -2.4508318 -0.28571554 0.01357756 -3.93259957 -27.14679258 -82.42160734 -71.52172745 -55.47125194 -70.6487672 -76.11217059 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17824-83-8 87323 144211559 A 3,4,5,6-Tetrachloro-2-pyridinecarbonitrile Clc1c(Cl)c(C#N)nc(Cl)c1Cl Tox21_301242 -NCGC00260452-01 196703705 tox21-ror-cho-viability-p1 set1 4 -0.80893828 -0.55755445 -0.45867133 2.1903607 3.09768537 -12.105848 2.50672672 -8.66986332 0.14914803 1.49151868 -1.48902988 -0.80572404 -0.49239493 1.4267591 -13.11518989 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6239999999E-8 1.481E-7 3.312E-7 7.405E-7 0.000001656 0.0000037029999999 0.000008279 0.00001851 0.0000414 0.000092569999999 2510-55-6 17279 144210104 A A 9-Cyanophenanthrene N#Cc2cc3ccccc3c1ccccc12 Tox21_202906 -NCGC00357124-01 196703707 tox21-ror-cho-viability-p1 set1 4 1.07007742 0.0489736 -1.8254227 4.84349948 5.31397015 0.50088086 0.62212819 3.69612355 -0.56586185 -5.13837594 1.66343969 0.81258674 2.84223179 1.48669217 4.68475622 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-89-2 60985 251919977 F Citronellyl isobutyrate C\C(C)=C\CCC(C)CCOC(=O)C(C)C Tox21_303859 -NCGC00091468-02 196703713 tox21-ror-cho-viability-p1 set1 4 -1.88198908 -3.9596934 -1.85419385 -1.3181202 -2.46828018 0.0917643 -2.80690899 -0.54418919 -1.96990366 -3.45982704 0.57213539 -1.48031697 -4.26357156 -3.82129626 -3.28825164 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00254127-01 196699988 tox21-ror-cho-viability-p1 set1 -2.1 61.130564862 -109.3815566944 -3.364391631 -112.7459483254 2.8472712143 0.9752755362 1.61E-7 -0.76195294 -3.8199704 -6.34888333 -5.95444461 -5.70294759 -0.50975157 0.83554534 -1.2702294 0.05140421 -0.35991599 -5.82907809 -4.71113225 -15.01602257 -25.77108515 -87.80837097 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26172-55-4 33344 144210519 FC 5-Chloro-2-methyl-3(2H)-isothiazolone ClC1=CC(=O)N(C)S1 Tox21_300199 -NCGC00254918-01 196699993 tox21-ror-cho-viability-p1 set1 4 43.2771256911 -21.838142672 1 -20.838142672 3.0654483358 0.9067533637 0.0002284785 0.98829525 3.36493329 1.06556823 -0.327665 -0.73676413 0.65979826 3.73381205 -0.52393209 2.19492919 1.03046585 1.00834153 -3.56789512 1.15819371 -9.04023237 -19.03178556 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 330-54-1 3120 144211333 A A Diuron Clc1ccc(NC(=O)N(C)C)cc1Cl Tox21_301016 -NCGC00255372-01 196700389 tox21-ror-cho-viability-p1 set1 4 0.2246422982 4.940733592 -1.940733592 3 4.9549173134 0.4430904274 0.2327722631 1.67917834 -3.72025245 -0.37364376 0.38602629 -5.78394466 -0.86746423 -3.04653906 4.57986939 0.52061991 6.30574978 0.90180146 -0.47132127 1.08666173 6.61888137 5.64911753 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 813-78-5 13134 144211728 F Bc Dimethyl phosphate O=P(O)(OC)OC Tox21_301411 -NCGC00255809-01 196700802 tox21-ror-cho-viability-p1 set1 4 -0.1016914 1.02138149 3.2702325 -1.49330736 -2.68922001 1.09291088 0.40725017 -8.71247522 1.64609738 3.90642283 -0.27123228 3.76020888 0.03679524 3.86203981 6.18023022 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4420-74-0 20473 144212494 F Fns 3-Mercaptopropyltrimethoxysilane CO[Si](CCCS)(OC)OC Tox21_302177 -NCGC00255810-01 196700808 tox21-ror-cho-viability-p1 set1 4 3.0637858693 -6.5048427479 4.5 -2.0048427479 4.9549173134 0.3388818357 0.3468833689 9.41397238 1.46070617 0.35374944 5.24511169 6.69216752 7.1458595 6.1798291 -1.83793642 5.40562164 5.96459494 0.03530927 -9.17070229 -2.08733014 5.16458282 6.47007177 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55934-93-5 60196418 144211621 F Tripropylene glycol butyl ether OC(OCC(C)OC(CC)OCCCC)CC Tox21_301304 -NCGC00255738-01 196701218 tox21-ror-cho-viability-p1 set1 4 27.2782538257 5.5948431639 -0.0948431639 5.5 1.8851180601 0.3516853179 0.3234564533 0.01158942 1.01120241 0.20860731 0.55206469 4.36675565 -0.73528444 0.22197604 -6.32903597 0.03806745 -0.40722434 1.45899221 0.71751667 0.63719025 4.6997717 4.67462584 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 34123-59-6 36679 144211646 A A Isoproturon O=C(Nc1ccc(cc1)C(C)C)N(C)C Tox21_301329 -NCGC00163953-03 196701229 tox21-ror-cho-viability-p1 set1 -3 64.8164987557 -48.7531963413 0.1925192729 -48.5606770684 3.6272481694 0.9564363431 0.0000039452 2.63258618 0.01145905 -4.41861644 1.88927492 3.6349004 -1.8015164 -0.93905351 -0.22324411 1.14338457 1.61492305 3.51377858 -2.45854492 -0.01616372 -8.55763939 -39.43990687 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00255415-01 196701234 tox21-ror-cho-viability-p1 set1 4 27.3060203028 14.8066737239 -0.8066737239 14 2.7202212143 0.767010316 0.0199252541 -1.60251107 -2.05120237 -1.6424297 -0.75244592 -3.58889477 -0.0526262 -3.15561439 -1.6540501 -0.75117392 3.00147618 -0.99544454 2.62639775 1.08837529 12.09325431 -1.27607423 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2465-59-0 4644 144211537 A A Oxypurinol O=C1NC(=O)Nc2nncc12 Tox21_301220 -NCGC00256122-01 196710614 tox21-ror-cho-viability-p1 set2 2.4 24.3365162115 28.12777838 -6.12777838 22 0.3 0.7678723918 0.0146557281 -4.81607433 -4.54182419 -3.54959742 -5.52314865 -2.66398877 -1.17334873 0.51561542 0.2949546 -0.14082441 3.96960869 0.04307281 2.32772632 15.55165996 7.16207774 9.41655393 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68928-76-7 60196425 144212107 F Fns Bis[(2-ethyl-2,5-dimethylhexanoyl)oxy](dimethyl)stannane C[Sn](C)(OC(=O)C(C)(CC)CCC(C)C)OC(=O)C(C)(CC)CCC(C)C Tox21_301790 -NCGC00095099-05 196713503 tox21-ror-cho-viability-p1 set2 4 -2.80332873 -2.82896845 -5.23727903 -5.00836583 -3.02730184 -0.88472541 -0.82399896 -3.19526592 -3.38369951 0.49672232 -2.23323551 -7.40272798 -5.09160259 -5.67383772 -6.18833588 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 171599-83-0 62853 170465285 A Sildenafil citrate CN1CCN(CC1)S(=O)(=O)c4cc(C3=Nc2c(CCC)nn(C)c2C(=O)N3)c(OCC)cc4.O=C(O)C(O)(CC(=O)O)CC(=O)O Tox21_111717_1 -NCGC00249930-01 196713509 tox21-ror-cho-viability-p1 set2 4 -0.9905719 -1.06570585 -1.62004539 2.36258084 2.09600838 0.78409508 2.03425809 1.28165051 0.28983036 -1.2725828 0.29955502 -0.4229445 -1.87241402 -2.36888708 3.13863319 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3686-58-6 72137 170465945 A A Tolycaine O=C(Nc1c(C)cccc1C(=O)OC)CN(CC)CC Tox21_113706 -NCGC00091351-03 196713910 tox21-ror-cho-viability-p1 set2 4 -1.32474908 -0.39561035 1.97813977 -0.44850769 -1.61764795 4.01980623 1.02627931 -1.67199972 1.49118307 3.3172695 4.87744983 2.67401779 4.06295965 -1.57887111 4.31555404 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00255276-01 196709793 tox21-ror-cho-viability-p1 set2 4 4.24768245 -2.36033357 -0.50423118 0.25646993 -1.05901404 1.08563729 3.57778375 4.28638355 4.80099143 -2.06965916 4.32735245 1.89807574 3.16410988 2.25242515 4.55911415 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33509-43-2 676486 144212312 A A 4-Amino-6-tert-butyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one O=C1N(N)C(=S)NN=C1C(C)(C)C Tox21_301995 -NCGC00256240-01 196709795 tox21-ror-cho-viability-p1 set2 -2.2 12.3359636419 -44.9565110279 0 -44.9565110279 0.6999999999 0.9779014353 8.46E-8 0.27881041 -1.38332813 -1.19943363 1.0856091 -1.32898494 -1.18168681 -2.27219077 0.98097023 -5.10501856 -7.42400509 -13.37906462 -15.57069137 -18.61131492 -28.79361342 -34.0579629 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 0.0000010299999999 0.000002304 0.000005152 0.00001152 0.00002576 0.0000576 15905-32-5 3259 144211951 Erythrosin B Ic4c5Oc1c(I)c(O)c(I)cc1C3(OC(=O)c2ccccc23)c5cc(I)c4O Tox21_301634 -NCGC00255791-01 196710212 tox21-ror-cho-viability-p1 set2 4 26.8346328519 11.270617376 -1.270617376 10 4.0949729863 0.537359568 0.1639073063 -3.05462238 0.62099169 1.18948277 1.12875057 -1.02136316 -0.34710808 -2.31325218 -7.72551448 -2.89473543 -2.62390993 0.83116593 0.5092868 0.57025776 8.1992699 -0.67335668 1.163E-9 2.601E-9 5.816E-9 1.301E-8 2.908E-8 6.503E-8 1.454E-7 3.2509999999E-7 7.27E-7 0.0000016259999999 0.0000036349999999 0.0000081279999999 0.00001818 0.00004064 0.00009088 75277-39-3 2724248 144212472 Ac Sodium 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate [Na+].OCCN1CCN(CC1)CCS([O-])(=O)=O Tox21_302155 -NCGC00255249-01 196710615 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -14.488499772 1 -13.488499772 4.9549173134 0.5459049607 0.1398772243 -7.32474742 3.69084974 3.77116691 2.42394509 0.89146801 5.08970084 0.47215195 0.46323509 0.26855649 0.66786756 1.9177426 0.29891587 -0.3506503 0.52055261 -10.82374981 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88107-10-2 3969 144212729 A A Tomelukast CC(=O)c2ccc(OCCCCc1nnnn1)c(CCC)c2O Tox21_302412 -NCGC00255748-01 196710624 tox21-ror-cho-viability-p1 set2 4 8.6349217992 7.989334348 -3.489334348 4.5 2.3531167061 0.3261136252 0.3591115302 0.90611249 0.16023661 -10.82444529 -2.09201875 -1.78900339 -8.12341144 0.05346135 -0.10314307 -10.08227053 -1.3875528 -2.22542397 -0.17639203 4.11349255 3.63120341 -0.31639962 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1323-38-2 6433266 144212279 F A Glyceryl monoricinoleate OCC(O)COC(=O)CCCCCCC/C=C\C[C@H](O)CCCCCC Tox21_301962 -NCGC00255690-01 196711027 tox21-ror-cho-viability-p1 set2 4 -1.31580473 -2.52266412 -0.61009964 0.29841692 -0.69302658 0.39086016 -0.05831052 -1.79504965 -2.27785236 0.61992609 -0.61342027 -2.09762365 -0.1114344 -0.57670095 -3.73199791 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 83-05-6 6730 144211749 A A p,p'-DDA Clc1ccc(cc1)C(C(=O)O)c2ccc(Cl)cc2 Tox21_301432 -NCGC00256103-01 196711043 tox21-ror-cho-viability-p1 set2 4 61.130564862 15.5159359279 -3.5159359279 12 4.0949729863 0.6549728702 0.0617633944 -6.20515337 -7.00916241 -3.33251122 -3.2678562 -1.63481829 -3.22249898 -5.70742422 -7.51327994 -0.7502724 0.13451085 -2.09357738 0.48344668 -2.96163596 -0.86566383 9.60435416 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-16-7 7043 144212614 A A 1,2-Dimethoxybenzene COc1ccccc1OC Tox21_302297 -NCGC00260336-01 196711436 tox21-ror-cho-viability-p1 set2 4 0.2210885205 -7.35290236 -6.83582129 -8.37534868 -9.33687571 -5.24595418 -4.93355324 -3.98911103 0 -21.85639504 0 0 -33.25627071 -7.74127236 -11.97480478 -21.0365617 7.367E-11 1.6469999999E-10 3.684E-10 8.237E-10 1.842E-9 4.118E-9 9.209E-9 2.059E-8 4.605E-8 1.03E-7 2.3019999999E-7 5.148E-7 0.000001151 0.000002574 0.000005756 632-99-5 12447 144209988 F C.I. Basic Violet 14 Cl.N=C1C=C/C(C=C1)=C(\c2ccc(N)c(C)c2)c3ccc(N)cc3 Tox21_202790 -NCGC00258373-01 196729847 tox21-ror-cho-viability-p1 set3 4 -7.32000407 -4.37455866 -3.10904333 -2.33937101 -2.38548301 0.23965121 0.30171014 -3.80543302 -2.33324107 0.09126923 -2.96523209 0.60936202 -0.19606958 2.23808707 0.97223292 1.212E-9 2.71E-9 6.059E-9 1.3549999999E-8 3.03E-8 6.774E-8 1.515E-7 3.387E-7 7.5739999999E-7 0.0000016939999999 0.000003787 0.000008468 0.00001893 0.00004234 0.00009467 29911-27-1 121752 144208017 A I Butyl dipropasol solvent OC(C)COC(C)COCCC Tox21_200819 -NCGC00257980-01 196729832 tox21-ror-cho-viability-p1 set3 4 -1.32586759 0.06098181 -0.25015566 1.03960965 1.09414152 -0.47809113 0.22445588 -0.32669222 0.92133285 3.61481008 1.67498087 3.06844391 -0.54354144 3.16392258 2.67638011 1.198E-9 2.6779999999E-9 5.988E-9 1.339E-8 2.994E-8 6.6949999999E-8 1.497E-7 3.3479999999E-7 7.485E-7 0.0000016739999999 0.0000037429999999 0.0000083689999999 0.00001871 0.00004184 0.000093569999999 78-10-4 6517 144207624 D Tetraethyl orthosilicate CCO[Si](OCC)(OCC)OCC Tox21_200426 -NCGC00258674-01 196729837 tox21-ror-cho-viability-p1 set3 4 0.0054981708 -9.133819016 9.5 0.366180984 4.9549173134 0.7215045818 0.0295762147 8.26895095 10.60416459 4.24048528 0.99922887 0.04395133 1.33632627 4.64750222 0.37079956 0.18060705 0.42928054 -3.44484918 -2.65888543 -1.56642888 -0.34868222 3.10559715 1.189E-9 2.658E-9 5.9439999999E-9 1.3289999999E-8 2.9719999999E-8 6.646E-8 1.486E-7 3.323E-7 7.4299999999E-7 0.0000016609999999 0.0000037149999999 0.000008307 0.000018579999999 0.00004154 0.000092879999999 1141-38-4 14357 144208320 A A 2,6-Naphthalenedicarboxylic acid O=C(O)c1ccc2cc(ccc2c1)C(=O)O Tox21_201122 -NCGC00258008-01 196729840 tox21-ror-cho-viability-p1 set3 4 1.7327663 1.40354221 0.6098977 0.51446771 0.5250529 2.0383593 1.2176172 3.08501694 3.26438464 -0.26143581 2.50743971 1.17708061 0.86180783 -3.75731556 -0.10059287 1.219E-9 2.726E-9 6.096E-9 1.3629999999E-8 3.048E-8 6.816E-8 1.524E-7 3.408E-7 7.62E-7 0.000001704 0.00000381 0.00000852 0.00001905 0.0000426 0.00009525 1569-69-3 15290 144207652 A F Cyclohexanethiol SC1CCCCC1 Tox21_200454 -NCGC00258230-01 196730244 tox21-ror-cho-viability-p1 set3 -2.4 61.6904908231 -27.855752312 -0.5 -28.355752312 1.5094870999 0.821946227 0.0048698153 -0.91071527 3.19796524 1.43809078 -2.76851885 -1.28819824 -6.38536464 0 0 0 -1.33148084 -0.17636908 0 -8.22984229 -8.22148432 -20.29646026 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.9719999999E-8 6.6449999999E-8 1.486E-7 3.3219999999E-7 7.429E-7 0.0000016609999999 0.000003714 0.0000083059999999 0.00001857 0.00004153 0.00009286 319-84-6 727 144207874 A A alpha-1,2,3,4,5,6-Hexachlorocyclohexane Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@H]1Cl Tox21_200676 -NCGC00090701-06 196730246 tox21-ror-cho-viability-p1 set3 4 -1.86645763 -2.13899077 -3.39641273 -4.64006667 -3.26433428 -1.62174915 -5.55701293 -3.24296256 -0.74787345 -2.91334945 -2.59106891 -2.0923791 -2.18982412 1.93020581 -0.76214314 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00163818-04 196730249 tox21-ror-cho-viability-p1 set3 4 6.5193338546 -18.9213234759 0.5 -18.4213234759 1.4780888099 0.8457510965 0.0025630746 1.06222433 -8.4186502 -0.95422918 2.94506421 2.06092175 1.37417935 2.10817119 1.34535675 1.68007361 1.8357202 -9.39364065 -11.14665261 -12.805194 -17.40037293 -19.93443623 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00256000-01 196700855 tox21-ror-cho-viability-p1 set1 4 -2.64117174 -2.83738149 4.11517966 1.21978217 -4.80360648 -2.27398364 -1.49157268 0.02808777 3.70450928 2.13960518 -0.51219447 2.06980549 4.06280034 1.29969803 2.66911733 1.22E-9 2.7279999999E-9 6.099E-9 1.3639999999E-8 3.0499999999E-8 6.819E-8 1.525E-7 3.41E-7 7.6239999999E-7 0.000001705 0.0000038119999999 0.0000085239999999 0.000019059999999 0.000042619999999 0.0000953 13031-43-1 83063 144212545 A A 4-Acetylphenyl acetate O=C(C)Oc1ccc(cc1)C(C)=O Tox21_302228 -NCGC00255217-01 196700860 tox21-ror-cho-viability-p1 set1 4 0.33120124 -0.80383647 1.23461526 0 -4.41094475 -9.34649069 -4.53933854 -4.33238056 -5.09769864 1.38206577 -12.14983226 1.08381111 -10.90762927 0.06050123 1.51262355 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63133-74-4 113027 144212070 A A 2-(Ethyl(3-methylphenyl)amino)acetonitrile CCN(CC#N)c1cc(C)ccc1 Tox21_301753 -NCGC00091775-03 196700455 tox21-ror-cho-viability-p1 set1 -1.2 2.7306020303 -29.571872196 -4 -33.571872196 1.0999999999 0.8390916618 0.0030925409 -10.15030694 -6.27052626 -2.49803151 0.61331856 -16.08838309 -8.2454718 -7.77576647 0.21035789 -6.37872941 -15.81290319 -24.36661183 -23.58494767 -32.85339161 -33.39322683 -31.24991546 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00256147-01 196700462 tox21-ror-cho-viability-p1 set1 4 1.12472683 0.4935517 0.99023611 -0.77452074 3.59592144 1.02762058 -0.48238961 2.95767324 2.23119373 0.91767074 0.43335975 1.34462979 2.6493396 7.74377609 -0.89133918 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22987-10-6 89953 144211964 A A N-(3-Aminophenyl)propanamide O=C(Nc1cccc(N)c1)CC Tox21_301647 -NCGC00255371-01 196700862 tox21-ror-cho-viability-p1 set1 4 14.7874289173 -28.298805948 1.5 -26.798805948 0.7999999999 0.9436377287 0.0000162338 1.41223136 -0.07586469 0.83068402 3.52908763 3.38278793 -1.25014335 0.04639591 1.09026628 0.77104226 -1.82079286 -1.31140755 -10.31261011 -9.55621954 -15.0936968 -19.83233829 7.078E-10 1.583E-9 3.539E-9 7.9139999999E-9 1.77E-8 3.9569999999E-8 8.848E-8 1.9779999999E-7 4.424E-7 9.892E-7 0.000002212 0.000004946 0.00001106 0.00002473 0.000055299999999 16423-68-0 27872 144212402 Cc FD&C Red 3 [Na+].[Na+].[O-]C(=O)c4ccccc4C=2c3cc(I)c([O-])c(I)c3OC=1C=2C=C(I)C(=O)C=1I Tox21_302085 -NCGC00255485-01 196700863 tox21-ror-cho-viability-p1 set1 -2.2 68.5896218971 -64.2052576324 -6.321248972 -70.5265066044 3.0654483358 0.8658166878 0.0013421735 -14.17582347 -1.89059821 -2.77385073 -4.43622591 -6.22328851 -0.88939255 -3.09454013 -11.60575393 -14.73024116 -6.05915118 -9.61540175 -6.37118966 -14.8037285 -15.42871756 -53.42917167 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5836-10-2 22094 144212231 A A Chloropropylate OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(=O)OC(C)C Tox21_301914 -NCGC00255789-01 196700868 tox21-ror-cho-viability-p1 set1 4 34.3762428541 -20.356006036 -2 -22.356006036 0.7999999999 0.4761819551 0.2003803372 -9.56668328 0.57473334 -3.72279008 -3.71073267 -2.3416293 -10.37482607 -2.27532717 0.7924729 -3.54967101 -9.10715048 -5.26362963 -3.16817881 -5.52955291 -14.76771937 -18.63000503 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13301-61-6 83322 144212542 A A C.I. Disperse Orange 37 Clc2cc(cc(Cl)c2/N=N/c1ccc(cc1)N(CC)CCC#N)[N+]([O-])=O Tox21_302225 -NCGC00255230-01 196700878 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -26.325181064 0 -26.325181064 4.9549173134 0.8812267912 0.0007563912 -0.12021808 -5.32429935 -1.55057081 -0.14705063 -0.24226085 -1.6873242 -0.50925952 -0.18806383 -0.77707799 4.02164061 0.8066938 0.41318072 1.47930628 -0.41599673 -21.52098422 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15233-47-3 85821 144211806 A A N-(1-Methylheptyl)-N'-phenyl-1,4-benzenediamine CC(CCCCCC)Nc1ccc(cc1)Nc2ccccc2 Tox21_301489 -NCGC00256003-01 196701281 tox21-ror-cho-viability-p1 set1 -1.1 6.1130564862 -87.063066599 -3.127111686 -90.190178285 1.78848746 0.9753377865 1.586E-7 -2.22722204 -3.25472238 -7.6522115 -5.44339974 -8.90383285 -3.05714113 -3.83467321 0.52782781 -0.82806985 -4.84403504 -29.42308339 -65.21513491 -66.86937027 -95.74328905 -88.05000481 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 731-27-1 12898 144211541 A B Tolylfluanid CN(C)S(=O)(=O)N(SC(Cl)(Cl)F)c1ccc(C)cc1 Tox21_301224 -NCGC00256079-01 196701290 tox21-ror-cho-viability-p1 set1 4 0.0136854288 -5.7035433119 1 -4.7035433119 2.7202212143 0.4906079073 0.1891246612 0.35958421 0.24076829 2.23127629 -2.34690371 -3.99591233 -2.27806777 -9.75295276 -7.01481817 -1.08521815 -4.46992071 -1.39767567 -3.05417121 -7.94116768 -5.37196413 -5.2321278 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1561-92-8 23663624 144212034 A Sodium 2-methylprop-2-ene-1-sulfonate [Na+].C=C(C)CS([O-])(=O)=O Tox21_301717 -NCGC00258453-01 196701693 tox21-ror-cho-viability-p1 set1 -1.1 21.734065517 -82.8944471891 -0.910091867 -83.8045390561 4.9549173134 0.9892070678 1.3E-9 0.70561459 -0.24409887 0.0980384 -2.48287916 -1.97199825 -1.49887391 -0.3715024 -2.61621043 -0.35263147 4.9598152 -8.04201165 -3.58037381 -24.17480594 -84.14110347 -81.29240531 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004128 0.00009231 598-91-4 69026 144208097 Bc Dibromonitromethane BrC(Br)[N+]([O-])=O Tox21_200899 -NCGC00258055-01 196702056 tox21-ror-cho-viability-p1 set1 4 4.850835712 -10.699024772 3 -7.699024772 4.9549173134 0.7417433339 0.0285104825 0.58518646 2.51066738 2.71308059 6.35521812 4.92712757 2.66413852 2.33624056 2.04726971 2.93419398 2.95716913 1.81888748 -9.02685866 -1.32780688 -12.24918731 -2.2279623 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.947E-8 6.591E-8 1.474E-7 3.295E-7 7.368E-7 0.000001648 0.000003684 0.000008238 0.00001842 0.00004119 0.00009211 4247-02-3 20240 144207699 A A Isobutylparaben Oc1ccc(cc1)C(=O)OCC(C)C Tox21_200501 -NCGC00258417-01 196701646 tox21-ror-cho-viability-p1 set1 4 67.6838457892 11.810416968 0.189583032 12 3.1924983358 0.7358386824 0.024871549 1.60753284 -2.34201414 0.17094417 2.35664548 0.80111897 0.00860492 -1.52964551 2.19207879 -0.26983824 0.58301755 -1.75535104 0.70665498 0.82821486 2.05258549 8.78689631 1.167E-9 2.609E-9 5.8339999999E-9 1.305E-8 2.917E-8 6.523E-8 1.459E-7 3.261E-7 7.2929999999E-7 0.000001631 0.000003646 0.000008153 0.00001823 0.00004077 0.000091159999999 19767-45-4 23662354 144208061 A F Sodium 2-mercaptoethanesulfonate [Na+].[O-]S(=O)(=O)CCS Tox21_200863 -NCGC00258576-01 196701655 tox21-ror-cho-viability-p1 set1 4 -6.50471042 -0.17276871 0.09243083 -12.06179482 0.79487318 0.11933039 -4.03178157 5.15413214 -7.80378461 -3.70915749 0.79572261 -10.30714643 -3.98046742 -18.73040598 2.90771142 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.613E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.00001848 0.00004133 0.00009242 66-22-8 1174 144208221 A A Uracil O=C1C=CNC(=O)N1 Tox21_201023 -NCGC00090965-04 196701659 tox21-ror-cho-viability-p1 set1 4 48.5577336745 -28.671064008 -6.455555656 -35.126619664 0.7 0.6424971623 0.0686308471 -2.27427953 -8.62433078 -2.04629638 -6.2118118 -10.1283873 -4.12442968 -5.04323587 -17.0355601 -8.53670441 -10.90607768 -13.60417044 -10.39441855 -8.77342506 -23.55440015 -25.93884972 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00091351-03 196702069 tox21-ror-cho-viability-p1 set1 4 -5.37079712 0.55560885 0.77340004 -0.23661146 0.2816979 0.02475212 -0.08222862 -4.70055057 -2.09910634 0.90831314 -5.25325853 -0.0782738 -7.84622653 -1.69444269 -0.32157983 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00091830-04 196702075 tox21-ror-cho-viability-p1 set1 4 5.2039287 1.27995622 4.49848702 5.57878894 1.82588777 0.76630497 6.14085388 4.12970356 6.41148046 -7.30679703 5.36552819 1.22523838 3.18159723 3.68096067 2.54570315 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00257642-01 196702473 tox21-ror-cho-viability-p1 set1 4 -1.7293846 1.13728283 -1.34490072 -8.75597401 -3.95198478 -3.05156494 -1.08919636 -3.68321794 -0.56655788 2.58011868 -5.50161903 -1.78309158 3.350136 -2.12492575 -2.05065353 1.203E-9 2.6889999999E-9 6.013E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.361E-7 7.516E-7 0.0000016809999999 0.000003758 0.000008403 0.000018789999999 0.00004202 0.00009395 4635-87-4 20750 144207286 AC Ac 3-Pentenenitrile CC=CCC#N Tox21_200088 -NCGC00090858-02 196702885 tox21-ror-cho-viability-p1 set1 4 0.0038570779 -11.62159988 10.5 -1.12159988 4.9549173134 0.8156974738 0.0057000257 9.28855925 10.85009351 -0.80234814 -1.0983215 -2.77920805 0.4354033 -5.5179999 -0.76192466 -0.45455868 -1.33555759 -0.40064879 1.05264797 -1.27277136 1.83844776 -0.1847027 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00260441-01 196702888 tox21-ror-cho-viability-p1 set1 4 62.251265086 -23.0216501319 2.5 -20.5216501319 2.6384283767 0.7511709246 0.0192501012 2.91092197 1.38341299 0.7647045 3.6024711 2.86082824 4.84526004 5.44096812 2.45375237 1.71821058 2.93426688 5.07662193 -5.82442507 2.53508654 -3.50677996 -14.60137511 1.198E-9 2.679E-9 5.991E-9 1.34E-8 2.995E-8 6.698E-8 1.4979999999E-7 3.3489999999E-7 7.4889999999E-7 0.000001675 0.000003744 0.000008373 0.000018719999999 0.000041859999999 0.000093609999999 101-70-2 7571 144210093 A B 4,4'-Dimethoxydiphenylamine COc2ccc(Nc1ccc(OC)cc1)cc2 Tox21_202895 -NCGC00258116-01 196702093 tox21-ror-cho-viability-p1 set1 4 68.1016469048 -15.4190374399 2 -13.4190374399 4.0949729863 0.6746442042 0.0510348244 1.52955406 0.610115 2.04106187 4.81548007 5.76599096 -0.69409966 4.76131848 4.80222932 -1.20030074 0.62985996 1.05305736 0.04111075 1.46556714 0.5122156 -9.9325312 1.173E-9 2.622E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.329E-7 0.0000016389999999 0.000003665 0.000008195 0.00001832 0.000040969999999 0.00009162 36861-47-9 60196294 144207760 A F Enzacamene CC3(C)C2CCC3C(=Cc1ccc(C)cc1)C2=O Tox21_200562 -NCGC00258748-01 196701678 tox21-ror-cho-viability-p1 set1 4 3.99130505 0.01026202 0.28457713 5.26205477 0.75777617 6.58489049 0.3620711 -0.14124399 -0.54316999 -0.29675777 2.40377396 1.04989628 0.66422254 1.19210279 7.08817862 1.167E-9 2.6109999999E-9 5.837E-9 1.305E-8 2.919E-8 6.5259999999E-8 1.459E-7 3.2629999999E-7 7.297E-7 0.0000016319999999 0.000003648 0.0000081579999999 0.000018239999999 0.000040789999999 0.000091209999999 127-18-4 31373 144208394 Tetrachloroethylene Cl/C(Cl)=C(/Cl)Cl Tox21_201196 -NCGC00091080-03 196702081 tox21-ror-cho-viability-p1 set1 4 5.4482673282 -11.926445944 1 -10.926445944 3.5117481694 0.8446227098 0.0026625555 -0.26339908 -0.57115408 1.80967519 -0.23880581 -1.57319478 1.06898766 0.91225371 7.79129045 1.60516409 0.29995584 -1.61056573 -8.78141311 -12.85537162 -11.11943805 -8.63058705 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00258091-01 196702090 tox21-ror-cho-viability-p1 set1 4 1.27101784 1.21879273 2.76800251 0.57177823 2.0296511 4.20888801 6.31731418 4.13330562 4.0897724 -7.01750614 -0.76983677 0.78658031 4.02409223 4.25943493 4.92899712 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.397E-7 0.0000016539999999 0.0000036979999999 0.0000082699999999 0.000018489999999 0.00004135 0.000092459999999 638-53-9 12530 144207735 Ac Ac Tridecanoic acid O=C(O)CCCCCCCCCCCC Tox21_200537 -NCGC00260100-01 196712286 tox21-ror-cho-viability-p1 set2 4 -4.6226384 -4.98816791 -4.29318915 -2.49374571 -0.05995253 -11.18108649 -0.15835766 -8.35889699 -8.83993518 -6.34818103 -33.60543545 -4.37492168 0 -14.65562037 -5.3160792 1.304E-9 2.915E-9 6.5189999999E-9 1.4579999999E-8 3.259E-8 7.288E-8 1.63E-7 3.644E-7 8.1489999999E-7 0.0000018219999999 0.0000040739999999 0.00000911 0.00002037 0.000045549999999 0.0001019 108-20-3 7914 144209749 Fns Isopropyl ether CC(C)OC(C)C Tox21_202551 -NCGC00260262-01 196711875 tox21-ror-cho-viability-p1 set2 4 -2.51505674 -4.09198016 -12.76018244 -4.0271076 -4.67322368 -9.18449407 -13.08431975 -9.63278656 0 -42.05511746 -13.34021549 -7.04278952 0 -23.95715692 11.00360405 6.488E-10 1.451E-9 3.244E-9 7.254E-9 1.622E-8 3.6269999999E-8 8.11E-8 1.813E-7 4.055E-7 9.0669999999E-7 0.000002027 0.0000045339999999 0.00001014 0.00002267 0.00005069 10022-31-8 24798 144209912 Barium nitrate [Ba+2].[O-][N+]([O-])=O.[O-][N+]([O-])=O Tox21_202714 -NCGC00260325-01 196712281 tox21-ror-cho-viability-p1 set2 -2.4 0.7829094114 -44.0130185647 -4.052846428 -48.0658649927 3.9899729863 0.7600729404 0.4448795159 -3.36309012 -14.5608341 -7.66098736 -8.55254207 -9.50466618 0 -13.52253728 -3.87710915 -39.75398014 0 -6.86493413 -10.19854622 -40.52846428 -6.66361889 -2.32793242 7.409E-11 1.6569999999E-10 3.704E-10 8.283E-10 1.8519999999E-9 4.142E-9 9.261E-9 2.0709999999E-8 4.63E-8 1.035E-7 2.315E-7 5.177E-7 0.000001158 0.000002588 0.000005788 3012-65-5 5284342 144209976 Fns Ammonium citrate (2:1) [NH4+].[NH4+].O=C([O-])CC(O)(CC(O)=O)C([O-])=O Tox21_202778 -NCGC00356951-01 196712282 tox21-ror-cho-viability-p1 set2 4 68.5896218971 17.5803996281 1.4196003719 19 0.7999999999 0.6463560642 0.0669487903 -1.31699969 0.77033088 -0.67282835 1.62565961 -0.55734826 1.41817417 2.67044652 6.11341999 4.03012034 5.54060186 3.52776792 3.01892357 2.64313081 7.1033801 14.60959258 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17321-47-0 87048 251919693 A O,O-Dimethyl phosphoramidothioate NP(=S)(OC)OC Tox21_303881 -NCGC00166294-03 196712690 tox21-ror-cho-viability-p1 set2 1.1 0.4609032039 82.741941589 2.2578410029 84.9997825919 2.4063783767 0.9963484567 0 2.55580482 2.84679337 0.02674603 1.17680034 1.3591569 3.9264798 2.00286215 5.97057899 9.94399094 38.6044984 71.70374837 87.448336 80.857779 86.96786088 80.98016555 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 110871-86-8 60464 170465370 A Sparfloxacin C[C@@H]1CN(C[C@H](C)N1)c2c(F)c(N)c3c(c2F)N(C=C(C3=O)C(=O)O)C4CC4 Tox21_111580_1 -NCGC00016281-11 196712692 tox21-ror-cho-viability-p1 set2 4 0.0188336318 -6.488684028 -0.5 -6.988684028 1.6266150999 0.4696303366 0.2076275644 2.79946081 -6.59934305 2.06181359 -2.40265654 -1.621336 -7.49141946 -4.24315053 -8.27120821 -9.06298263 -6.98683912 -4.18127857 -10.40723669 -4.92060741 -7.36737535 -3.7194679 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62-44-2 4754 170465554 A Phenacetin CCOc1ccc(cc1)NC(C)=O Tox21_110347_1 -NCGC00259471-01 196709387 tox21-ror-cho-viability-p1 set2 4 -0.533724 0.46030424 -1.220763 -15.19013056 -2.70473033 -2.7840121 -2.46765461 -2.5320633 -1.51340809 -0.16232358 -0.63170903 -0.18337746 1.71432079 1.25378263 0.28064848 1.1759999999E-9 2.63E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.576E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.00000822 0.000018379999999 0.0000411 0.0000919 51580-86-0 23667638 144209120 Sodium dichloro-s-triazinetrione dihydrate [Na+].O.O.ClN1C([O-])=NC(=O)N(Cl)C1=O Tox21_201922 -NCGC00258985-01 196708971 tox21-ror-cho-viability-p1 set2 4 -4.24569565 -1.38726193 -0.06370917 0.13302155 -0.68341491 -0.78020727 2.38259514 -1.05484699 -1.90502261 -0.17981348 -0.05200753 -0.61138955 0.65425113 -0.20651134 4.33332271 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009203 20917-49-1 30360 144208632 A A Nitrosoheptamethyleneimine O=NN1CCCCCCC1 Tox21_201434 -NCGC00258906-01 196708981 tox21-ror-cho-viability-p1 set2 4 0.80481883 1.0937591 0.15095719 -0.45711803 0.1817047 2.29133439 -0.60082821 2.04485308 1.68205426 -0.19193748 1.16561745 0.22147271 2.78511717 2.32801471 0.44465487 1.2359999999E-9 2.7629999999E-9 6.178E-9 1.381E-8 3.089E-8 6.907E-8 1.545E-7 3.4539999999E-7 7.723E-7 0.000001727 0.000003861 0.000008634 0.000019309999999 0.00004317 0.00009653 126-98-7 31368 144208552 FNS Methacrylonitrile C=C(C)C#N Tox21_201354 -NCGC00259106-01 196708988 tox21-ror-cho-viability-p1 set2 4 -2.65844002 1.55429744 -3.77312978 -0.21731637 -1.60307765 1.75168689 0.14454285 -0.54356854 -0.1211334 -2.48457847 -0.81184522 1.516065 -0.34354169 -2.36870487 0.91330448 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 830-13-7 13246 144208755 A A Cyclododecanone O=C1CCCCCCCCCCC1 Tox21_201557 -NCGC00259229-01 196709396 tox21-ror-cho-viability-p1 set2 4 6.8589621897 4.351097808 0.148902192 4.5 3.9899729863 0.5071780255 0.5351289248 -22.7803363 -0.86107013 2.56890307 1.65901965 -0.75168765 2.32853394 -4.87591484 1.46007794 1.52788585 -1.04189631 -0.18814654 3.53103196 4.64868915 5.91753764 3.27775548 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 142-09-6 8872 144208878 A Fc Hexyl methacrylate O=C(OCCCCCC)C(=C)C Tox21_201680 -NCGC00259178-01 196709400 tox21-ror-cho-viability-p1 set2 4 0.49435739 -0.75054191 0.77348451 1.09093135 -0.94700079 -0.83989167 -5.97061958 -1.45255862 1.65565241 1.85509183 1.06848697 -0.86783179 -3.31157997 1.81808466 1.75693487 1.2009999999E-9 2.6849999999E-9 6.0029999999E-9 1.3419999999E-8 3.002E-8 6.712E-8 1.501E-7 3.356E-7 7.5039999999E-7 0.0000016779999999 0.0000037519999999 0.0000083889999999 0.00001876 0.00004195 0.000093799999999 112-60-7 8200 144208827 D Tetraethylene glycol OCCOCCOCCOCCO Tox21_201629 -NCGC00255634-01 196709798 tox21-ror-cho-viability-p1 set2 4 7.96720414 1.98562908 1.88435962 0.40773741 0.96599216 1.58510703 -0.73849574 0.02120489 0.57272703 -0.07344184 1.23403854 1.07245879 -0.25554385 -0.66885534 0.53466125 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5349-51-9 79302 144211952 D A 4-(2-Methylbutan-2-yl)cyclohexanol OC1CCC(CC1)C(C)(C)CC Tox21_301635 -NCGC00357266-01 196724522 tox21-ror-cho-viability-p1 set3 4 0.0030637859 -8.6439805239 3 -5.6439805239 3.1319983358 0.3867985866 0.3027884939 2.15446183 0.66125318 -6.77660767 -7.01005797 -12.61998377 -4.12760074 -4.05053955 -0.91672633 -5.25261995 -4.57809629 -5.83148321 -2.57467641 -10.16620346 -2.31762877 -1.71843165 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-28-6 7646 251919818 A Benzyl 2-methylpropanoate CC(C)C(=O)OCc1ccccc1 Tox21_303852 -NCGC00258329-01 196701737 tox21-ror-cho-viability-p1 set1 4 4.9325487 0.6683977 6.89211536 2.89345395 7.70044757 6.48423782 2.8442922 3.58742333 5.21646972 4.67441562 3.43869535 -1.42709405 7.27952292 0.88049817 -1.66483315 1.159E-9 2.591E-9 5.793E-9 1.2949999999E-8 2.8969999999E-8 6.4769999999E-8 1.448E-7 3.239E-7 7.2419999999E-7 0.0000016189999999 0.0000036209999999 0.000008096 0.0000181 0.000040479999999 0.00009052 87-65-0 6899 144207973 Z Z 2,6-Dichlorophenol Clc1cccc(Cl)c1O Tox21_200775 -NCGC00257616-01 196702139 tox21-ror-cho-viability-p1 set1 4 -7.15339724 -4.91383036 -9.38686725 -6.02157629 -8.13467277 -2.45277302 -8.25659633 -6.21776181 -8.05794269 -9.05410032 -7.72668374 -10.73470517 -11.46590935 -9.58212788 -3.31206561 1.165E-9 2.6039999999E-9 5.8229999999E-9 1.302E-8 2.912E-8 6.5109999999E-8 1.456E-7 3.255E-7 7.2789999999E-7 0.000001628 0.00000364 0.0000081379999999 0.0000182 0.00004069 0.00009099 149-73-5 9005 144207260 FNS Trimethoxymethane COC(OC)OC Tox21_200062 -NCGC00258467-01 196701719 tox21-ror-cho-viability-p1 set1 4 0.00449664 -0.58062013 0.05775164 -3.3520016 -3.62999003 0.67852963 -8.683507 -0.7089948 -0.75047546 -0.03667946 -5.52475671 0.81690255 -5.61735907 -6.36635608 -1.02677943 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 75-96-7 6415 144208111 Tribromoacetic acid BrC(Br)(Br)C(=O)O Tox21_200913 -NCGC00091830-04 196701736 tox21-ror-cho-viability-p1 set1 4 4.96782488 0.42901514 6.01363605 7.22156904 0.85178268 4.06751435 2.28392137 2.24707554 11.76475762 0.35930673 -1.68325775 2.71697753 5.65326841 2.0499227 -2.00132987 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00258410-01 196702145 tox21-ror-cho-viability-p1 set1 4 1.71097522 1.60928987 2.10247175 2.47236857 1.17434574 0.60216474 0.86655728 2.73901327 5.69699563 8.71071875 2.18067325 2.87877697 7.60010646 3.75946003 0.4862283 1.173E-9 2.624E-9 5.867E-9 1.312E-8 2.934E-8 6.56E-8 1.4669999999E-7 3.28E-7 7.334E-7 0.0000016399999999 0.000003667 0.0000082 0.00001834 0.000041 0.00009168 74223-64-6 52999 144208054 A A Metsulfuron-methyl Cc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(OC)n2 Tox21_200856 -NCGC00258336-01 196702147 tox21-ror-cho-viability-p1 set1 4 -4.89582912 -0.12953224 -0.04187322 1.51218612 2.90951853 4.91308387 2.97582422 -4.30380605 2.91947581 0.37137087 0.52072485 -0.7580732 0.73647571 3.72594641 9.31474385 1.21E-9 2.706E-9 6.051E-9 1.353E-8 3.0259999999E-8 6.766E-8 1.5129999999E-7 3.3829999999E-7 7.564E-7 0.000001691 0.000003782 0.000008457 0.00001891 0.000042289999999 0.00009455 4169-04-4 20129 144207980 A A 2-Phenoxy-1-propanol CC(CO)Oc1ccccc1 Tox21_200782 -NCGC00257862-01 196702554 tox21-ror-cho-viability-p1 set1 4 56.8179351954 -17.95524546 -0.5 -18.45524546 2.7867712143 0.8176549957 0.0054401837 -0.12042428 0.34708416 0.95503997 -2.90783903 0.59700691 1.48540067 -3.67742889 -3.5641045 1.24122837 1.68389605 -2.71954171 0.47430615 -1.56325266 -6.09530383 -14.96270455 1.222E-9 2.733E-9 6.1119999999E-9 1.367E-8 3.056E-8 6.8339999999E-8 1.528E-7 3.417E-7 7.64E-7 0.0000017079999999 0.00000382 0.0000085419999999 0.0000191 0.000042709999999 0.000095499999999 101-18-8 7546 144207506 A A 3-Hydroxy-N-phenylaniline Oc2cccc(Nc1ccccc1)c2 Tox21_200308 -NCGC00258724-01 196702556 tox21-ror-cho-viability-p1 set1 -2.2 62.4383774676 -53.3648650499 0.5168396319 -52.848025418 2.9522712143 0.9733498256 2.479E-7 1.45980355 -0.32579326 0.60958098 3.35406395 1.49076581 0.45214911 0.43309258 0.11585509 4.03764503 0.70270543 0.31078453 -0.8013206 -5.14563453 -10.29635079 -40.79395865 1.2009999999E-9 2.686E-9 6.005E-9 1.3429999999E-8 3.003E-8 6.714E-8 1.501E-7 3.3569999999E-7 7.506E-7 0.0000016779999999 0.000003753 0.0000083919999999 0.000018769999999 0.00004196 0.000093829999999 13010-08-7 9570281 144208370 A A N-Butyl-N'-nitro-N-nitrosoguanidine CCCCN(N=O)C(=N)N[N+]([O-])=O Tox21_201172 -NCGC00258358-01 196702558 tox21-ror-cho-viability-p1 set1 4 -1.11956985 -1.94868214 2.75082392 5.5484844 0.21964211 7.50364407 3.85690045 3.18671041 6.30278008 -2.13560891 3.30321422 2.19631485 2.6142325 -0.06027824 1.25164788 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018399999999 0.00004115 0.000092019999999 532-28-5 10758 144208002 F alpha-Hydroxybenzeneacetonitrile OC(C#N)c1ccccc1 Tox21_200804 -NCGC00168342-02 196702559 tox21-ror-cho-viability-p1 set1 4 10.45855037 1.18673566 -0.05431529 -3.27247445 3.34659578 3.35240174 -4.40031681 4.7692741 5.40789327 3.96893679 -0.15449873 0.04271112 4.07821738 2.23749686 1.64199902 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00258502-01 196702562 tox21-ror-cho-viability-p1 set1 -3 0.234728911 -37.0594716152 -9.301812952 -46.3612845672 4.9549173134 0.9814476482 0.0004721806 -10.82952418 -8.16817746 -10.96286274 -8.97202661 -10.66846631 -8.93624854 -9.71496833 -40.66779348 -6.19619109 -10.20959274 -13.492443 -9.88414917 -10.0051267 -6.47606547 -5.6288052 1.1449999999E-9 2.56E-9 5.725E-9 1.28E-8 2.8619999999E-8 6.4009999999E-8 1.431E-7 3.2E-7 7.156E-7 0.0000016 0.000003578 0.0000080009999999 0.00001789 0.000039999999999 0.000089449999999 515-40-2 68191 144208147 A A (1-Chloro-2-methylpropan-2-yl)benzene ClCC(C)(C)c1ccccc1 Tox21_200949 -NCGC00258743-01 196702563 tox21-ror-cho-viability-p1 set1 -2.4 69.2877332643 -35.158543588 -0.5 -35.658543588 4.5044702849 0.9196142338 0.0001064274 -0.32515232 2.04614945 -3.87446365 0.17709519 1.80445708 1.62762769 -5.40937698 -2.20139309 -0.38957269 1.34742349 0.3205172 -2.4264995 -0.20413768 -3.43339684 -28.46545299 1.19E-9 2.661E-9 5.95E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003719 0.000008315 0.00001859 0.00004158 0.00009297 622-78-6 2346 144208389 D Benzyl isothiocyanate S=C=N\Cc1ccccc1 Tox21_201191 -NCGC00257939-01 196702564 tox21-ror-cho-viability-p1 set1 4 2.87281876 5.42953488 -11.10029183 -7.94720819 -7.67263349 -2.86739974 -8.03828974 -3.88283162 4.60825089 1.21930135 -4.43387095 -4.89253197 -0.06624414 -0.38786825 1.08991459 1.1609999999E-9 2.595E-9 5.803E-9 1.298E-8 2.9019999999E-8 6.488E-8 1.451E-7 3.244E-7 7.254E-7 0.000001622 0.0000036269999999 0.0000081099999999 0.00001814 0.000040549999999 0.00009068 98-15-7 7374 144207583 FNS 3-Chlorobenzotrifluoride FC(F)(F)c1cc(Cl)ccc1 Tox21_200385 -NCGC00090789-02 196703765 tox21-ror-cho-viability-p1 set1 4 76.9588215421 10.971009396 0.028990604 11 4.0449729863 0.6502100494 0.066259127 -0.9341635 1.12546511 -1.17423275 -0.68533637 -2.89250783 0.28498684 -0.32046118 0.59034509 0.38690694 -0.76594513 0.24454099 3.87812325 0.24205992 0.8777367 7.50904859 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00257676-01 196702926 tox21-ror-cho-viability-p1 set1 4 -3.86690799 -6.45575397 -1.32961856 -6.29701322 0.00724473 -7.79685596 -8.87660148 -3.33806021 -13.54515023 -12.45801749 -5.91404907 -3.59011745 -15.37535128 -0.7230434 -2.73775052 1.194E-9 2.671E-9 5.9709999999E-9 1.335E-8 2.986E-8 6.676E-8 1.493E-7 3.338E-7 7.464E-7 0.000001669 0.000003732 0.000008345 0.00001866 0.000041729999999 0.000093299999999 50-02-2 5743 144207320 A A Dexamethasone OCC(=O)[C@@]4(O)[C@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_200122 -NCGC00357171-01 196703333 tox21-ror-cho-viability-p1 set1 4 4.48604477 0.47764099 2.93974751 0.14962684 2.04627603 2.35538811 7.69587205 3.72579358 4.31765676 4.55309458 2.73308912 3.1525232 6.77485464 1.13313338 7.24376138 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4856-95-5 6327109 251919904 Bc Borane - morpholine complex B.C1CNCCO1 Tox21_303932 -NCGC00260296-01 196703742 tox21-ror-cho-viability-p1 set1 4 -17.93463329 -1.73432735 -9.55957539 0.17559965 -12.55557591 -6.92656881 -5.51470687 -4.01557723 -4.76588541 -10.37605362 0.15466902 0.09786767 -10.75497806 0.96445865 0.62435066 2.8959999999E-10 6.4749999999E-10 1.448E-9 3.237E-9 7.2389999999E-9 1.6189999999E-8 3.62E-8 8.094E-8 1.81E-7 4.0469999999E-7 9.049E-7 0.000002023 0.000004524 0.000010119999999 0.00002262 629-73-2 12395 144209946 Fns 1-Hexadecene CCCCCCCCCCCCCCC=C Tox21_202748 -NCGC00249885-01 196704158 tox21-ror-cho-viability-p1 set1 4 -0.18484563 0.28704414 -0.97525147 0.07092324 1.57851457 19.16218128 -1.0604858 -0.27293221 0.52312971 -5.12945676 -5.12930265 -4.97968265 1.54297094 -1.44018792 -12.38850591 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4245-41-4 9818306 170465258 F A Estradiol acetate CC(=O)Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)CC[C@@H]12)c4cc3 Tox21_113661 -NCGC00016279-05 196704171 tox21-ror-cho-viability-p1 set1 4 -2.04104657 -3.59233932 0.23514048 0.2389975 -4.43180841 -0.68948726 -3.82012323 -5.29449424 -3.35914559 -0.86462243 0.34213103 -2.0522394 -0.63886074 -1.07567743 1.05955728 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61-78-9 2148 170465155 A Aminohippuric acid O=C(NCC(=O)O)c1ccc(N)cc1 Tox21_110345_1 -NCGC00163125-06 196704176 tox21-ror-cho-viability-p1 set1 4 0.31944661 0.36877849 5.64428073 0.17362328 0.08937565 1.34291341 0.26116858 1.57650954 1.55152331 0.24060051 3.84165225 1.11065396 -1.80615099 4.01572018 -0.1230361 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 145-13-1 8955 170465558 F Pregnenolone CC(=O)[C@H]4CC[C@@H]3[C@]4(C)CC[C@H]2[C@H]3CC=C1C[C@@H](O)CC[C@@]12C Tox21_112011_1 -NCGC00015609-09 196704181 tox21-ror-cho-viability-p1 set1 4 4.60811243 0.78722818 0.38223094 1.67943769 3.31531358 2.7415722 2.37390177 0.07834688 1.41012186 0.30211618 3.38598884 4.59819429 0.27132205 1.01500883 2.1820658 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50264-69-2 39562 170466647 A Lonidamine O=C(O)c3nn(Cc1ccc(Cl)cc1Cl)c2ccccc23 Tox21_110181_1 -NCGC00091663-03 196704573 tox21-ror-cho-viability-p1 set1 4 -2.24203775 0.56078312 -1.50780656 0.55318299 -1.66799988 -0.14977056 -4.19143498 -2.91283938 -1.07045435 -0.49145935 -4.62413906 0.56532822 3.69392817 3.84869959 0.04387447 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00021123-03 196704576 tox21-ror-cho-viability-p1 set1 4 0.421632496 4.8528926759 -1.3528926759 3.5 3.1319983358 0.468963284 0.2092227831 -5.29407723 0.18183372 0.08283538 -0.22563183 -0.85789939 -3.55475263 2.68073965 -2.30210984 -0.14316638 4.28170097 6.83913782 1.74483993 5.28449678 0.05096071 1.93146568 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50978-11-5 12598086 170464638 F Diatrizoic acid dihydrate O.O.O=C(C)Nc1c(I)c(c(I)c(NC(C)=O)c1I)C(=O)O Tox21_113395_1 -NCGC00159391-03 196704990 tox21-ror-cho-viability-p1 set1 4 0.07163457 0.30796714 0.22280217 0.26479083 -0.9287223 2.44721977 0.87756349 3.85857074 -3.48465438 2.92189753 -0.27347305 2.68681516 -0.42812045 0.01622226 0.87231676 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71-67-0 6282 170465816 F Sulfobromophthalein [Na+].[Na+].[O-]S(=O)(=O)c1cc(ccc1O)C3(OC(=O)c2c(Br)c(Br)c(Br)c(Br)c23)c4ccc(O)c(c4)S([O-])(=O)=O Tox21_111628_1 -NCGC00179602-03 196705007 tox21-ror-cho-viability-p1 set1 4 -0.665404 -0.2496975 -0.50174684 1.9287676 4.22362182 0 3.27691234 0.48715253 3.58614972 -0.034875 -0.74416986 -8.07621744 2.99099852 -0.17757742 -5.51067323 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-85-2 5995 170464835 A Testosterone propionate CCC(=O)O[C@H]2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_110330_1 -NCGC00254994-01 196700041 tox21-ror-cho-viability-p1 set1 -2.4 43.2771256911 -34.544743788 1.5 -33.044743788 2.7202212143 0.9539252104 0.0000053859 0.0117359 1.25291221 -1.36166173 1.00296485 -1.96939691 2.84084746 4.55026581 2.28508859 2.69244481 -0.12641151 0.7791387 4.19986517 -2.23976708 -14.84976163 -28.78728649 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68157-60-8 93379 144211411 A A Forchlorfenuron Clc2cc(NC(=O)Nc1ccccc1)ccn2 Tox21_301094 -NCGC00260463-01 196711887 tox21-ror-cho-viability-p1 set2 4 55.870744211 22.2533663399 -4.7533663399 17.5 1.92824246 0.4974528184 0.180773672 0.89881921 1.0132363 -6.24221189 -10.10671083 -0.91746408 -1.23512775 0.28580865 -11.45709776 -12.29447195 -5.96040957 -1.62922781 -9.01456427 0 2.9564662 11.72071104 1.2049999999E-9 2.695E-9 6.026E-9 1.348E-8 3.013E-8 6.738E-8 1.507E-7 3.3689999999E-7 7.533E-7 0.0000016839999999 0.000003766 0.000008422 0.000018829999999 0.000042109999999 0.000094159999999 420-12-2 9865 144210115 Fns Ethylene sulfide C1CS1 Tox21_202917 -NCGC00090701-06 196711061 tox21-ror-cho-viability-p1 set2 4 4.19856983 2.67816083 1.20815391 2.96048866 1.61424381 3.54320011 0.20458683 -1.24168145 0.11297715 -0.98515102 -1.44638451 0 2.8600042 3.44143038 0.01036726 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00260479-01 196711477 tox21-ror-cho-viability-p1 set2 4 -2.00597814 -0.47194011 -1.47519484 2.60530016 0.5419 0.76072142 4.51486549 5.51973648 5.32999255 2.17482735 3.04552176 5.43993715 3.51260736 6.51217605 2.4572982 1.187E-9 2.6549999999E-9 5.936E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.318E-7 7.42E-7 0.000001659 0.0000037099999999 0.0000082959999999 0.00001855 0.000041479999999 0.000092749999999 573-17-1 11309 144210131 A A 9-Bromophenanthrene Brc2cc3ccccc3c1ccccc12 Tox21_202933 -NCGC00260588-01 196711885 tox21-ror-cho-viability-p1 set2 4 0.54942546 -0.22971413 -1.01797313 -19.75110874 -0.70741705 -14.39632128 -5.27607175 -9.34113443 -8.14914386 -5.23435357 0 -12.08757073 -5.68110404 -14.19563839 -7.30895876 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49484 144210241 M M NTP Mix37 CT1 2-EQP Tox21_203043 -NCGC00260151-01 196711889 tox21-ror-cho-viability-p1 set2 4 0.73137645 3.20420104 2.79514982 7.84782319 5.73484057 6.81308908 5.87815786 8.87984222 8.40674011 5.30334613 6.11031649 9.31438009 7.96919539 9.20709623 -1.54369965 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.00004125 0.000092249999999 84449-90-1 5035 144209801 A A Raloxifene Oc1ccc(cc1)c3sc2cc(O)ccc2c3C(=O)c5ccc(OCCN4CCCCC4)cc5 Tox21_202603 -NCGC00260472-01 196712297 tox21-ror-cho-viability-p1 set2 -1.1 15.7621976632 -102.3854343074 1.5165455259 -100.8688887815 1.78848746 0.9948003518 0 -0.63336577 0.28446895 0.70859906 1.60926059 0.57584325 0.76238968 3.36186376 2.46100346 0.87457547 0.53655768 0.48736494 -27.93228505 -54.24728915 -86.16647714 -97.7411713 1.206E-9 2.697E-9 6.0309999999E-9 1.349E-8 3.016E-8 6.743E-8 1.5079999999E-7 3.371E-7 7.539E-7 0.0000016859999999 0.000003769 0.000008429 0.00001885 0.00004214 0.000094239999999 541-59-3 10935 144210124 Ac Maleimide O=C1C=CC(=O)N1 Tox21_202926 -NCGC00260635-01 196712298 tox21-ror-cho-viability-p1 set2 4 -0.37562972 1.42194374 -0.48315923 0.00837871 1.78913248 0.13142891 -5.09720864 0.57750872 -9.64914084 -4.11232571 1.09789858 -5.73095545 -15.78273701 3.02969273 0.46611902 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49531 144210288 M M NTP Mix111 ER1 10-EQC Tox21_203090 -NCGC00357086-01 196712304 tox21-ror-cho-viability-p1 set2 -3 6.8589621897 -88.6492130707 -5.102394514 -93.7516075847 4.9549173134 0.9366148003 0.2104318639 -0.00893729 -0.7607078 -17.09696443 -2.88656533 -3.24813809 -5.49149625 -10.74006984 -56.0186797 0 -4.94962093 -7.10661888 -71.02394514 -21.40671384 6.80051192 24.65825912 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4584-46-7 11636816 251919902 A (2-Chloroethyl)dimethylamine hydrochloride Cl.ClCCN(C)C Tox21_303802 -NCGC00260399-01 196712311 tox21-ror-cho-viability-p1 set2 4 -2.055114 -3.31048599 -3.13155698 -3.1757588 -1.78283925 0 -7.46166731 -1.08906861 -0.94813279 -12.64533636 -3.7659638 -4.52252021 0 -15.42818083 8.70030784 1.185E-9 2.649E-9 5.923E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 600-22-6 11748 144210051 C Methylpyruvate CC(=O)C(=O)OC Tox21_202853 -NCGC00091088-05 196712713 tox21-ror-cho-viability-p1 set2 4 -0.8348343 -2.37384944 -4.28596707 -4.30226455 -0.66192305 -0.36736402 -0.37251878 -4.39690868 -1.27649771 0.30109558 -3.45925281 -1.00325123 -0.44151638 -2.52830309 -0.10099891 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00015883-11 196712720 tox21-ror-cho-viability-p1 set2 4 0.0026603212 -16.088155864 13 -3.088155864 0.7999999999 0.6534587597 0.0623475879 11.23210896 2.07473257 9.7176227 1.11182738 -0.89786299 -1.12314071 -0.99360231 -2.64358352 -6.35001679 -1.40567542 0.09336152 -3.81661887 -8.82346322 -0.04485241 -1.38873925 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 106266-06-2 5073 170464925 A Risperidone CC=5N=C1CCCCN1C(=O)C=5CCN2CCC(CC2)c4noc3cc(F)ccc34 Tox21_110253_1 -NCGC00255292-01 196710681 tox21-ror-cho-viability-p1 set2 4 3.29100632 1.10431769 1.40989568 -0.63298874 -0.65996288 -1.26418468 -0.68761562 -0.98138357 0.57003046 -0.73499642 1.91644463 0.41118112 0.53541902 0.37468402 0.33348818 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 791-28-6 13097 144212371 A A Triphenylphosphine oxide O=P(c1ccccc1)(c2ccccc2)c3ccccc3 Tox21_302054 -NCGC00255222-01 196710245 tox21-ror-cho-viability-p1 set2 4 6.8589621897 -13.3834868199 1 -12.3834868199 2.8472712143 0.9660451365 9.895E-7 0.58978084 1.56093578 0.90199092 2.07989499 2.35521354 0.24333208 1.98766653 -1.04658231 -0.69077079 -0.46129993 -0.61191508 -8.23463585 -11.11816133 -12.41000909 -12.81957235 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 37076-68-9 5386 144212129 A A Tegafur FC1=CN(C(=O)NC1=O)C2CCCO2 Tox21_301812 -NCGC00259078-01 196724537 tox21-ror-cho-viability-p1 set3 -3 69.7771103933 -78.6006772328 0.559787602 -78.0408896308 4.9549173134 0.9258222451 0.0000696583 -11.4786994 4.16349575 4.44982648 -2.16194205 2.88732404 -0.54206525 5.8776084 3.19675177 -0.05474039 -4.2180231 4.83540173 -0.81159332 -3.59421017 -0.80962141 -63.52451558 1.197E-9 2.676E-9 5.9839999999E-9 1.338E-8 2.992E-8 6.69E-8 1.496E-7 3.345E-7 7.48E-7 0.000001673 0.00000374 0.000008363 0.000018699999999 0.000041819999999 0.0000935 84852-15-3 338733 144208726 A A 4-Nonylphenol, branched Oc1ccc(CCCCCCC(C)C)cc1 Tox21_201528 -NCGC00260445-01 196724929 tox21-ror-cho-viability-p1 set3 4 0.0243860226 6.622071192 -3.122071192 3.5 2.1210667061 0.3967418981 0.2762565959 -4.44197671 0.20448566 -5.51839266 0.19027353 -0.47664867 3.79341002 3.27578565 5.5195562 4.18524096 8.31251167 9.24305263 2.03014618 0.88599767 -3.97671715 1.05618821 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.61E-8 1.4779999999E-7 3.305E-7 7.3899999999E-7 0.0000016529999999 0.0000036949999999 0.000008263 0.00001848 0.00004131 0.000092379999999 636-26-0 720471 144210097 A A 5-Methyl-2-thiouracil CC1=CNC(=S)NC1=O Tox21_202899 -NCGC00260584-01 196724932 tox21-ror-cho-viability-p1 set3 1.4 0.0014960085 22.080194044 -17.080194044 5 0.5 0.805666717 0.0071026762 -12.56682837 -0.85593809 -5.45318543 -4.46993514 1.94184756 0.64700918 1.62952662 2.31291013 4.22614303 2.44396402 6.05540333 6.61381737 3.60789592 4.23134509 5.86851669 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49480 144210237 M M NTP Mix43 CT1 3-EQP Tox21_203039 -NCGC00183861-01 196725347 tox21-ror-cho-viability-p1 set3 4 0.118832183 5.502537024 0.497462976 6 4.9549173134 0.5784695512 0.1293976335 1.89607103 3.22206438 -2.08544752 1.65338826 -1.75601247 2.02224051 -0.22932959 5.32240078 8.87988276 9.26802652 3.13340508 2.65235524 6.32908771 4.83998318 -0.30304159 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 185517-21-9 208925 144206875 Fc Fc (2R)-2-Propyloctanoic acid O=C(O)[C@@H](CCCCCC)CCC Tox21_113324 -NCGC00015054-12 196725344 tox21-ror-cho-viability-p1 set3 4 -0.88853403 -5.25744552 8.65366309 7.9339375 2.17272405 -2.48005609 0.84220929 -1.92120622 -3.70154 -8.98583899 -2.86464494 -1.41009585 0.28308805 -0.61981447 1.3724991 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 321-64-2 1935 170465420 C Tacrine hydrochloride Nc1c3ccccc3nc2CCCCc12 Tox21_110073_1 -NCGC00160452-02 196725353 tox21-ror-cho-viability-p1 set3 4 0.5308038637 11.857290688 1.642709312 13.5 0.9999999999 0.4794743199 0.2140211828 3.36192901 -0.29774224 4.34125355 0 0 13.02190076 2.87720158 0 0 12.73113492 15.57547542 12.41612866 14.518715 8.00991581 6.74935275 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 42779-82-8 39299 170466360 B Clopirac O=C(O)Cc2cc(C)n(c1ccc(Cl)cc1)c2C Tox21_111822_1 -NCGC00168759-05 196725760 tox21-ror-cho-viability-p1 set3 4 5.9557173066 -11.823899948 2 -9.823899948 2.0478617061 0.5835309296 0.1093636583 0.9774095 4.27476525 -0.668633 0.40552886 0.80068188 -0.27517472 3.00739954 -5.54063751 6.86628461 9.16494568 0.9051363 -3.71970925 -4.17227571 -10.68658329 -8.71046272 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 775304-57-9 11219835 170466862 A PTC-124 O=C(O)c1cccc(c1)c2nc(on2)c3ccccc3F Tox21_112631_1 -NCGC00344561-01 196725764 tox21-ror-cho-viability-p1 set3 -1.2 0.0016785492 -26.8397012119 14 -12.8397012119 1.6435888099 0.8200111432 0.0050827818 12.56744601 0 -0.88852642 -14.63970376 -10.42584938 -12.03827354 -11.71050197 -11.25928626 -16.0841194 -16.94975101 -13.63322314 -12.73947382 -10.56553484 -5.41573583 -15.46134186 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35189-28-7 6540478 170464733 I Norgestimate CC(=O)O[C@@]3(C#C)CC[C@H]2[C@@H]4CCC1=CC(\CC[C@@H]1[C@H]4CC[C@@]23CC)=N\O Tox21_112811_1 -NCGC00015565-06 196725767 tox21-ror-cho-viability-p1 set3 4 0.0237101377 8.3298213399 -0.3298213399 8 2.8472712143 0.3224744435 0.3612945641 -0.10464183 -0.55698698 -1.10818445 0.98257776 1.11765204 6.27928498 5.25168558 18.54801715 9.46180904 16.9155209 -1.05324268 0.86947886 1.0647736 10.89959883 4.31053213 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 36504-56-0 5702132 170466357 A Iproniazid sulfate O=C(NNC(C)C)c1ccncc1.O=S(=O)(O)O Tox21_111341_1 -NCGC00021124-05 196725776 tox21-ror-cho-viability-p1 set3 1.2 6.6824247267 54.8931966984 -2.7641128709 52.1290838275 4.9549173134 0.9358961763 0.0000321864 -0.08067443 -14.06777004 -5.93546864 3.84894787 -4.94448276 -7.12657503 4.60857774 -6.69302037 -0.87915906 7.05887547 0.9452827 -3.70862906 45.00909168 50.30588626 52.10434173 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14007-64-8 27368 170466569 A Butetamate CCC(C(=O)OCCN(CC)CC)c1ccccc1 Tox21_110860_1 -NCGC00254993-01 196720090 tox21-ror-cho-viability-p1 set3 4 12.1971512362 -19.741638756 4.5 -15.241638756 1.6604358099 0.7258643346 0.027542584 3.60919575 3.5584093 -5.33027582 4.17422341 8.45558285 9.01382652 8.83041541 4.42449772 3.44879414 10.03125798 -4.03303172 -0.24592928 -7.78117247 -16.45136563 -12.17299127 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 161326-34-7 10403199 144211410 B B Fenamidone CSC2=N[C@](C)(C(=O)N2Nc1ccccc1)c3ccccc3 Tox21_301093 -NCGC00260265-01 196703383 tox21-ror-cho-viability-p1 set1 4 0.80910253 0.4680352 -0.85618389 0.79686082 -0.73238403 -0.01880645 -0.09001101 3.00842108 -0.92615156 3.7688508 0.03298491 0.2693392 -6.18531246 4.76165675 4.8831505 1.2919999999E-9 2.888E-9 6.458E-9 1.4439999999E-8 3.229E-8 7.221E-8 1.615E-7 3.6099999999E-7 8.073E-7 0.0000018049999999 0.0000040359999999 0.000009026 0.00002018 0.00004513 0.0001009 110-53-2 8057 144209915 Fns 1-Bromopentane BrCCCCC Tox21_202717 -NCGC00260461-01 196702960 tox21-ror-cho-viability-p1 set1 4 0.82435471 3.68985226 0.29358346 1.00872391 0.64868685 1.07472355 0.88632557 -2.9117616 2.14788722 -0.26463953 1.87178104 3.90908717 -0.12169659 0.38093554 3.76987256 1.1759999999E-9 2.631E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.576E-8 1.471E-7 3.288E-7 7.3529999999E-7 0.0000016439999999 0.000003676 0.00000822 0.000018379999999 0.0000411 0.000091909999999 367-12-4 9707 144210113 Z A 2-Fluorophenol Fc1ccccc1O Tox21_202915 -NCGC00260437-01 196702966 tox21-ror-cho-viability-p1 set1 4 -0.54667353 0.71601123 2.13764231 1.69551382 -13.66646146 0.10045838 0.11716192 -1.55051186 -0.80473963 0.81999496 1.6271342 -5.60284063 0.21567506 -5.8006769 0.30521874 1.194E-9 2.67E-9 5.9699999999E-9 1.335E-8 2.985E-8 6.6739999999E-8 1.4919999999E-7 3.337E-7 7.4619999999E-7 0.000001669 0.0000037309999999 0.000008343 0.00001866 0.00004171 0.00009328 1291-32-3 22833502 144210089 Fns Zirconocene dichloride Cl[Zr](Cl)(C1C=CC=C1)C2=CC=CC2 Tox21_202891 -NCGC00259754-01 196702973 tox21-ror-cho-viability-p1 set1 4 -0.84349652 -2.25926298 -9.73204872 -0.5139538 -10.81744405 -1.93465157 -12.76417734 -10.04009314 -1.62309329 -6.78815799 -0.70940326 -2.35805754 -12.21849066 -11.05286937 -6.71574568 1.148E-9 2.567E-9 5.7409999999E-9 1.284E-8 2.87E-8 6.418E-8 1.4349999999E-7 3.209E-7 7.176E-7 0.0000016049999999 0.0000035879999999 0.000008023 0.00001794 0.00004011 0.0000897 15972-60-8 2078 144209403 A B Alachlor ClCC(=O)N(COC)c1c(cccc1CC)CC Tox21_202205 -NCGC00257625-01 196703798 tox21-ror-cho-viability-p1 set1 -2.1 69.2178691585 -115.0548870701 -1.510517415 -116.5654044851 3.6772481694 0.9903531315 7E-10 -2.91343277 -1.49620997 -0.72560244 0.51706319 -7.23832189 1.79804954 -1.83101975 -2.19389272 0.02687 1.70348702 -1.24382124 -1.65607157 -4.465847 -16.43761547 -88.30712461 1.189E-9 2.6589999999E-9 5.945E-9 1.3289999999E-8 2.9719999999E-8 6.647E-8 1.486E-7 3.323E-7 7.4309999999E-7 0.000001662 0.000003716 0.0000083079999999 0.000018579999999 0.00004154 0.00009289 434-07-1 5281034 144207269 A A Oxymetholone O=C3C[C@@H]4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@]1(C)O)[C@@]4(C)C\C3=C\O Tox21_200071 -NCGC00259013-01 196703803 tox21-ror-cho-viability-p1 set1 -2.2 19.4098439102 -52.3320230478 0.8998448169 -51.4321782309 0.9999999999 0.9788957259 6.48E-8 0.57551713 0.49659279 -2.11733074 -0.03384052 -0.74959725 1.27515281 1.61973762 2.40458498 1.59957377 0.72609754 -10.6549389 -16.75301114 -23.03366882 -33.23263355 -43.59696685 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.324E-8 2.96E-8 6.618E-8 1.4799999999E-7 3.309E-7 7.399E-7 0.0000016539999999 0.0000037 0.000008272 0.0000185 0.00004136 0.000092489999999 51-28-5 1493 144208660 A A 2,4-Dinitrophenol O=[N+]([O-])c1cc(ccc1O)[N+]([O-])=O Tox21_201462 -NCGC00260554-01 196703812 tox21-ror-cho-viability-p1 set1 4 -4.36363077 -6.27100158 -8.9051255 -12.60657266 -12.67216609 -17.26743008 -10.88628746 -9.36404734 -3.46171987 -20.52297869 -13.6114378 -6.99331642 -16.66682838 -8.71104295 -7.24777915 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49450 144210207 M M NTP Mix62 CT1 62-EQP Tox21_203009 -NCGC00015389-14 196704219 tox21-ror-cho-viability-p1 set1 4 0.00774562 0.48699476 -1.00099721 -3.33860703 -0.93799673 -5.39944518 -3.46620996 -2.65645542 -3.64407064 -1.25676495 -4.10753558 -1.55920055 -3.79460746 0.87212355 -3.61712222 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2078-54-8 4943 170464994 F Propofol CC(C)c1cccc(C(C)C)c1O Tox21_110134_1 -NCGC00253647-01 196704226 tox21-ror-cho-viability-p1 set1 4 1.03295349 0.68636719 0.49034699 -4.8975703 1.37738239 0.85836793 0.43168693 0.75232459 2.93532832 -0.19334592 0.20317986 0.88791543 1.78159089 4.81999656 0.3721993 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64987-03-7 2733245 170466756 A A Ethyl (2-formamido-1,3-thiazol-4-yl)glyoxylate O=CNc1nc(cs1)C(=O)C(=O)OCC Tox21_113773 -NCGC00253626-01 196704624 tox21-ror-cho-viability-p1 set1 4 1.88802717 4.67452351 0.41916531 0.31299782 -0.26737137 0.05263576 1.37698462 3.52534042 1.45344918 -0.15356247 0.84845724 2.52528526 1.38754567 -0.74820224 2.43542904 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7761-45-7 24466 170466776 A A Methodichlorophen Cc2nc(N)nc(N)c2c1ccc(Cl)c(Cl)c1 Tox21_113755 -NCGC00274057-01 196704637 tox21-ror-cho-viability-p1 set1 4 33.4914596268 11.0477327519 -1.0477327519 10 1.9673362061 0.5572745999 0.1322668306 -1.77567736 -0.51238607 1.06747727 -0.64588235 0.23483271 -3.94234486 -1.07982278 -2.41599119 -1.209675 -0.0459906 -5.45644396 1.36454862 1.64685238 0.58752381 6.97815426 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 154-41-6 6433169 170465627 Z Phenylpropanolamine hydrochloride Cl.O[C@H]([C@@H](C)N)c1ccccc1 Tox21_110431_1 -NCGC00164625-04 196704641 tox21-ror-cho-viability-p1 set1 -1.2 0.1496008549 -39.402917454 -4.212588307 -43.615505761 1.826479391 0.9811286745 3.39E-8 -4.15777154 -0.86032932 -5.09375755 -7.83922653 -6.77410368 -6.11891451 -11.15047474 -26.05180288 -36.86334975 -42.5462789 -47.66226055 -44.05629117 -45.41475119 -43.07927568 -37.63830728 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 143201-11-0 23663992 170465109 A Cerivastatin sodium [Na+].CC(C)c1nc(c(/C=C/[C@@H](O)C[C@@H](O)CC([O-])=O)c(c1COC)c2ccc(F)cc2)C(C)C Tox21_112244_1 -NCGC00256041-01 196700077 tox21-ror-cho-viability-p1 set1 -2.1 43.2771256911 -102.622776137 -0.915090936 -103.537867073 1.9673362061 0.9831050749 1.78E-8 -3.02437206 -4.09796839 -0.26174993 0.41834192 0.65015065 -0.43527644 0.78708724 0.13849497 -0.7243116 -6.74315983 0.60523229 -5.6710776 -9.67203998 -54.46694497 -83.36382212 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3468-11-9 18980 144211774 F F 1H-Isoindole-1,3(2H)-diimine N=C1NC(=N)c2ccccc12 Tox21_301457 -NCGC00259816-01 196706256 tox21-ror-cho-viability-p1 set1 4 3.11748514 4.41902447 -10.98428765 -2.36431906 -5.05478581 0.91652577 -0.49333264 1.36253211 -6.8124672 6.98847818 0.22512111 -1.01522374 3.81725957 0.07416886 4.24932998 1.165E-9 2.606E-9 5.827E-9 1.303E-8 2.9129999999E-8 6.514E-8 1.457E-7 3.2569999999E-7 7.2829999999E-7 0.000001629 0.0000036419999999 0.000008143 0.00001821 0.00004071 0.00009104 2425-79-8 17046 144209465 A A 1,4-Butanediol diglycidyl ether C(CCCOCC1CO1)OCC2CO2 Tox21_202267 -NCGC00263529-01 196705425 tox21-ror-cho-viability-p1 set1 -2.1 29.8492948118 -92.7720892569 0.8009639489 -91.971125308 4.0949729863 0.9914529399 3E-10 -0.54565172 0.98692318 3.68108942 -0.15351702 2.43800475 0.42412269 3.32145308 -0.09139675 0.64536863 3.46807738 2.32758088 0.92345551 -4.45647102 -16.70458831 -78.30927109 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103890-78-4 5311217 170465580 A Lacidipine CC=1NC(C)=C(C(C=1C(=O)OCC)c2ccccc2/C=C/C(=O)OC(C)(C)C)C(=O)OCC Tox21_112174_1 -NCGC00259461-01 196706241 tox21-ror-cho-viability-p1 set1 4 -8.54280834 0.11665168 -8.48781121 -12.44949613 2.64491612 -3.69933839 -1.12105834 -1.00981557 0.28508308 -7.18870991 7.98274558 -6.46613408 1.32857027 -1.95752719 -0.94096512 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003707 0.0000082899999999 0.00001854 0.00004145 0.00009269 627-93-0 12329 144209110 A A Dimethyl adipate O=C(CCCCC(=O)OC)OC Tox21_201912 -NCGC00259085-01 196706249 tox21-ror-cho-viability-p1 set1 4 0.0248075011 -7.4986155519 6.5 -0.9986155519 4.9549173134 0.3410952372 0.3288617665 -0.70292823 16.53168297 -1.38288938 10.75429992 0.32606041 -1.12955824 -2.42030648 0.33846825 -3.27149097 0 0.59497154 -0.5317916 1.19010324 1.76633933 -5.41551296 1.1989999999E-9 2.68E-9 5.9929999999E-9 1.34E-8 2.996E-8 6.7E-8 1.4979999999E-7 3.35E-7 7.491E-7 0.000001675 0.000003745 0.000008375 0.00001873 0.00004188 0.000093639999999 688-84-6 12713 144208733 B Fns 2-Ethylhexyl methacrylate O=C(OCC(CCCC)CC)C(=C)C Tox21_201535 -NCGC00259453-01 196706655 tox21-ror-cho-viability-p1 set1 4 15.5585289572 -27.31590304 -11.04196312 -38.35786616 0.5 0.8661950008 0.0013304685 -8.756477 -8.3683026 -11.52612569 -13.64905995 -12.93976468 -15.36136048 -14.71625796 -17.03305013 -17.24273241 -15.87929551 -13.55362363 -23.29452745 -29.00539163 -28.62290611 -30.2982218 1.193E-9 2.667E-9 5.9649999999E-9 1.3339999999E-8 2.982E-8 6.669E-8 1.491E-7 3.3339999999E-7 7.456E-7 0.0000016669999999 0.000003728 0.000008336 0.00001864 0.00004168 0.0000932 83-79-4 6758 144209102 A B Rotenone C=C(C)[C@@H]2Oc3ccc1C(=O)[C@H]4c5cc(OC)c(OC)cc5OC[C@H]4Oc1c3C2 Tox21_201904 -NCGC00259277-01 196706666 tox21-ror-cho-viability-p1 set1 4 4.4024137 -0.53274432 7.78198267 -0.31272283 1.69348313 1.24656734 -0.6292134 2.03636941 -0.16060466 0 -0.2384676 1.23965251 2.25664855 0.65873117 1.72585021 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.315E-8 2.9389999999E-8 6.573E-8 1.4699999999E-7 3.2859999999E-7 7.3489999999E-7 0.000001643 0.000003674 0.0000082159999999 0.00001837 0.00004108 0.000091859999999 97-42-7 7335 144208926 I I Carvyl acetate O=C(C)OC1CC(CC=C1C)C(=C)C Tox21_201728 -NCGC00258938-01 196706674 tox21-ror-cho-viability-p1 set1 4 -0.3551415 12.7175149 1.59024018 0.1612286 4.15652857 5.00143836 7.50007182 2.93928525 7.19825343 19.07138284 0.91346306 2.52793496 7.20113575 5.46211213 7.68873907 1.173E-9 2.624E-9 5.867E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.28E-7 7.3329999999E-7 0.0000016399999999 0.000003667 0.0000081989999999 0.00001833 0.000041 0.00009167 141-32-2 8846 144208585 AC Fns Butyl acrylate C=CC(=O)OCCCC Tox21_201387 -NCGC00090874-04 196707076 tox21-ror-cho-viability-p1 set1 4 -2.18132686 -7.73670199 -6.27084052 -4.97317727 -16.85725966 -14.6649041 -6.26993078 -2.64584694 4.04877602 -10.06954908 -7.42032964 1.52666859 -7.12857937 -5.26547209 -8.9547244 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00257241-01 196707077 tox21-ror-cho-viability-p1 set1 4 0.81479334 -2.12505348 -5.01725305 -3.8793351 -2.28896005 -5.9420591 -0.7880299 -0.86752328 -0.38965947 7.14867256 -1.46859337 -5.32269063 -1.4468094 1.29773089 -0.54438558 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 556-82-1 11173 144213730 F 3-Methyl-2-buten-1-ol C/C(C)=C\CO Tox21_303419 -NCGC00258123-01 196702126 tox21-ror-cho-viability-p1 set1 4 2.76312771 3.12083157 1.31209263 3.29867682 2.9373941 2.77509977 -0.93170424 0.77564766 1.4523391 -4.6669111 3.55341677 0.27682684 3.03895797 0.2381061 4.23885274 1.2169999999E-9 2.7209999999E-9 6.0849999999E-9 1.361E-8 3.042E-8 6.803E-8 1.521E-7 3.401E-7 7.606E-7 0.0000017009999999 0.000003803 0.0000085039999999 0.00001901 0.00004252 0.000095069999999 623-15-4 212930 144207767 A Fns Furfural acetone O=C(C)C=Cc1ccco1 Tox21_200569 -NCGC00257714-01 196702102 tox21-ror-cho-viability-p1 set1 -2.1 11.3230078604 -81.4693831979 2.0893972619 -79.379985936 3.5117481694 0.9694349829 0.0000051071 3.32785972 5.07280355 0.03136646 -0.18609226 5.52456941 -0.83300288 2.33830559 -2.84853228 2.08517274 1.20266989 2.5982827 -25.61456208 -82.68748535 -31.95404923 48.27679515 1.479E-9 3.307E-9 7.396E-9 1.6539999999E-8 3.698E-8 8.269E-8 1.849E-7 4.134E-7 9.2449999999E-7 0.000002067 0.000004622 0.00001034 0.000023109999999 0.00005168 0.00011559999999 28961-43-5 115157 144207358 C Trimethylolpropane ethoxylate triacrylate O=C(OCCOCC(COCCOC(=O)C=C)(CC)COCCOC(=O)C=C)C=C Tox21_200160 -NCGC00257865-01 196702106 tox21-ror-cho-viability-p1 set1 4 -7.14457857 -7.5977453 -1.76547536 -5.5051307 -2.9316609 -0.13453402 -0.60350593 -9.68462147 2.01791767 -1.89009393 -3.21429627 1.3044431 -11.77047949 -0.32209543 -1.06958572 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.4829999999E-7 3.317E-7 7.417E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.00004146 0.000092709999999 3179-47-3 18510 144207509 B B Decyl methacrylate C=C(C)C(=O)OCCCCCCCCCC Tox21_200311 -NCGC00258039-01 196702122 tox21-ror-cho-viability-p1 set1 -2.4 70.2670602469 -30.477222356 1 -29.477222356 4.9549173134 0.8658161941 0.0013493023 0.50354055 -2.28814611 2.25588592 1.35648357 -3.10173448 5.68329602 3.47624042 0.92902327 2.72656452 -3.69964158 0.24182936 0.57094928 0.93929168 0.37953503 -23.73101863 1.204E-9 2.692E-9 6.02E-9 1.346E-8 3.01E-8 6.7309999999E-8 1.5049999999E-7 3.365E-7 7.5249999999E-7 0.000001683 0.000003763 0.000008413 0.000018809999999 0.000042069999999 0.00009406 86089-17-0 22833454 144207683 A Tridecylamine, branched and linear CCC(CCCCCCCN)CCC Tox21_200485 -NCGC00254340-01 196713963 tox21-ror-cho-viability-p1 set2 4 -0.14266415 0.21577381 -2.57250708 -6.01900304 0.85272409 0.83046453 -4.28540632 -8.79387831 -8.08641933 -6.99786291 -2.79553128 -3.70886145 -4.61288733 -8.10691993 3.46871154 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65-23-6 1054 144210683 A A Pyridoxine Oc1c(CO)c(cnc1C)CO Tox21_300365 -NCGC00015100-15 196713546 tox21-ror-cho-viability-p1 set2 4 0.0047307944 -11.9165817599 11 -0.9165817599 1.9673362061 0.8694838056 0.0011935668 9.47725691 11.35112979 9.71092854 0.55169774 0.80957491 0.45090802 0.92648842 -0.07006648 -2.24252689 -2.07261189 0.4345275 1.15394572 -3.6804848 -2.51510109 -0.02538622 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 645-05-6 2123 170464714 A Altretamine CN(C)c1nc(nc(n1)N(C)C)N(C)C Tox21_110085_1 -NCGC00090698-04 196713563 tox21-ror-cho-viability-p1 set2 4 0.0015355304 9.955971552 -8.955971552 1 4.9549173134 0.7410624805 0.0231912446 -7.04664296 0.97243598 -0.24762737 -0.22343791 -0.53153212 1.22664107 2.79420864 1.5895915 2.15116708 0.93190886 1.6821403 0.95703163 2.05115579 -0.81872052 3.5280291 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00167493-04 196713567 tox21-ror-cho-viability-p1 set2 4 -4.54924181 -3.79102682 -5.16064042 -3.79596419 -4.72877671 -1.34806309 -3.05740001 -1.23946811 -4.07745701 -0.83400794 -1.86572141 -1.48801995 -0.80122325 -5.4941418 -11.0878028 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 89226-75-5 150762 170465961 A Manidipine Cl.Cl.[O-][N+](=O)c1cccc(c1)C2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OCCN3CCN(CC3)C(c4ccccc4)c5ccccc5 Tox21_112494_1 -NCGC00254682-01 196713967 tox21-ror-cho-viability-p1 set2 4 96.8854161011 16.614121972 1.385878028 18 0.9999999999 0.5608760504 0.1282075667 2.55991286 2.31968357 0.07877446 0.64734647 -0.51176831 2.29683773 1.21586667 1.28137456 1.83476068 0.29059512 1.60609004 6.62659967 3.33278888 0.71040484 13.55637649 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23422-53-9 31899 144211095 A F Formetanate hydrochloride Cl.O=C(Oc1cccc(c1)/N=C/N(C)C)NC Tox21_300778 -NCGC00015669-07 196712740 tox21-ror-cho-viability-p1 set2 1.1 3.3491459627 67.0025163746 -1.135357382 65.8671589926 2.1876167061 0.9926302673 1E-10 -0.93489552 -0.64932296 -2.72077205 -1.55221958 -0.98935045 0.67588148 0.9827602 -2.05175105 -0.04038596 0.07692304 12.57261238 39.30876457 55.64961869 70.98353717 63.22712732 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17780-75-5 28767 170466297 A Clorgyline hydrochloride Cl.Clc1cc(Cl)ccc1OCCCN(C)CC#C Tox21_111243_1 -NCGC00090827-04 196712330 tox21-ror-cho-viability-p1 set2 4 0.1736919652 9.219773836 -11.719773836 -2.5 4.9549173134 0.4013684749 0.2703685685 -4.58363998 -7.98113521 -8.47285115 -7.60965771 -14.02582 -29.34981153 -7.89875984 0 0 -5.11311227 -5.27378625 0 -3.41955526 -1.99628737 -4.53966597 1.188E-9 2.656E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.641E-8 1.4849999999E-7 3.321E-7 7.425E-7 0.0000016599999999 0.000003712 0.0000083009999999 0.00001856 0.000041509999999 0.00009281 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00260298-01 196712342 tox21-ror-cho-viability-p1 set2 4 2.17497993 2.79398454 2.3472066 -1.68790013 -4.00855463 -5.55560755 1.35153099 3.03472182 0.45132573 0.04640836 -2.391996 -1.68216022 -1.59939595 -4.01588424 1.23926576 5.873E-10 1.313E-9 2.9369999999E-9 6.566E-9 1.468E-8 3.283E-8 7.3419999999E-8 1.642E-7 3.6709999999E-7 8.2079999999E-7 0.0000018349999999 0.000004104 0.0000091769999999 0.00002052 0.00004588 5281-04-9 9571018 144209948 Z F D&C Red No. 7 [Ca+2].O=S([O-])(=O)c3cc(C)ccc3/N=N/c1c2ccccc2cc(C([O-])=O)c1O Tox21_202750 -NCGC00091285-03 196712738 tox21-ror-cho-viability-p1 set2 4 3.07464081 2.37894706 1.33290783 3.4727828 2.66320228 -0.79098928 3.11850078 2.07182717 1.9448656 1.80836653 1.19920971 2.44430858 -0.86205826 0.73523115 0.05870713 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 538-23-8 10850 170465841 F Tricaprylin O=C(CCCCCCC)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC Tox21_111110_1 -NCGC00159424-04 196712745 tox21-ror-cho-viability-p1 set2 -2.2 5.9557173066 -60.547492338 -1.4507388 -61.998231138 0.9999999999 0.9726658717 2.858E-7 -3.25716892 -3.10039975 -0.21015985 -1.54682282 -3.53015603 -0.98909449 -0.96408405 -4.88627362 -1.70578419 -3.36109509 -16.28066592 -32.83456424 -33.67447732 -45.35050605 -57.19562965 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97-74-5 7347 170465567 A Tetramethylthiuram monosulfide CN(C)C(=S)SC(=S)N(C)C Tox21_111656_1 -NCGC00022398-05 196712752 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -18.45688168 0.5 -17.95688168 4.9549173134 0.9533829348 0.0000058428 -0.22792931 0.46740393 -0.56681164 -0.98195396 -0.14591347 2.28303478 -0.72275668 0.62713418 0.13381846 0.10763693 0.41966001 1.37270166 0.20140509 -0.30254608 -15.7974014 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 356-12-7 9642 170464717 A Fluocinonide CC(=O)OCC(=O)[C@]45OC(C)(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3C[C@H](F)C1=CC(=O)C=C[C@@]12C Tox21_110438_1 -NCGC00262964-01 196712759 tox21-ror-cho-viability-p1 set2 4 1.04901721 -1.26758092 0.68788715 1.32966663 -1.23420062 0.09436473 -0.54623012 -0.55219404 0.54071189 0.57284932 1.50963846 2.29860947 0.5503757 1.63951023 3.32915096 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35604-67-2 71424 170466300 A A Viloxazine hydrochloride Cl.CCOc2ccccc2OCC1CNCCO1 Tox21_113955 -NCGC00257371-01 196727011 tox21-ror-cho-viability-p1 set3 4 -1.40850657 -1.54759904 -0.42795626 -1.11928345 1.43064171 1.4784116 2.42208811 2.73158916 1.22517467 2.25975786 3.21757982 0.69571175 0.11224204 -0.14734518 3.27046023 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51-24-1 5803 144213850 A Tiratricol O=C(O)Cc2cc(I)c(Oc1cc(I)c(O)cc1)c(I)c2 Tox21_303544 -NCGC00256855-01 196727013 tox21-ror-cho-viability-p1 set3 -1.3 21.6899429044 -94.2806425467 -3.121337916 -97.4019804627 1.6266150999 0.8802718045 0.4249849269 1.51432365 -0.12001921 1.28884097 0.54461828 -1.0553834 -5.8701725 -0.95629527 -0.99700571 2.10113351 -18.23920718 -33.40428366 -0.35704512 67.64269752 -81.18399315 -84.11224565 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 29091-09-6 94398 144212847 A A 2,4-Dichloro-1,3-dinitro-5-(trifluoromethyl)benzene O=[N+]([O-])c1c(Cl)c(cc([N+]([O-])=O)c1Cl)C(F)(F)F Tox21_302530 -NCGC00090773-04 196727012 tox21-ror-cho-viability-p1 set3 4 -1.30581893 -0.45162708 -0.9266218 1.80942887 0.58048971 2.70194706 1.42697544 1.1573224 0.08330189 -2.59565309 -0.9870389 8.39382844 -1.98449603 -3.27517869 -2.34995519 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.0000016739999999 0.000003742 0.000008368 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00257496-01 196727015 tox21-ror-cho-viability-p1 set3 4 0.5448267328 5.409235448 -2.909235448 2.5 1.6258976909 0.313656398 0.3708851178 -0.9805764 2.96906021 -7.84102954 -2.38788165 -1.98637433 -7.77147572 -2.08781702 1.30523789 -1.68993657 1.92461271 1.43079841 9.82630647 0.20696468 -0.78502479 -0.54050353 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 115-77-5 8285 144213878 A A Pentaerythritol OCC(CO)(CO)CO Tox21_303573 -NCGC00259121-01 196721720 tox21-ror-cho-viability-p1 set3 4 9.4133233052 12.615244108 -12.5376757 0.077568408 1.17051 0.7295069252 0.0336132343 -15.00540424 -12.64851296 -10.40023689 -8.5182221 -13.25718868 -15.86472975 -11.48114054 -9.82151622 -13.46999594 -9.58970655 -11.24761057 -4.7952251 -5.35789332 -1.18535966 -10.97509824 1.152E-9 2.575E-9 5.759E-9 1.288E-8 2.879E-8 6.439E-8 1.44E-7 3.219E-7 7.199E-7 0.00000161 0.000003599 0.000008048 0.000018 0.00004024 0.00008998 2212-67-1 16653 144208770 A A Molinate O=C(SCC)N1CCCCCC1 Tox21_201572 -NCGC00259490-01 196721707 tox21-ror-cho-viability-p1 set3 4 22.5086109099 8.17146328 -10.926779424 -2.755316144 4.9549173134 0.3675975179 0.3039644083 -16.60564952 -14.29964014 -6.40712412 -5.93949091 -12.00613656 -15.6208285 -13.29620058 -7.18700624 -6.12686638 -6.81248795 -13.44022513 -14.64529713 -9.07952643 -1.87943012 -3.89191959 1.2169999999E-9 2.72E-9 6.083E-9 1.36E-8 3.041E-8 6.801E-8 1.521E-7 3.4E-7 7.6029999999E-7 0.0000016999999999 0.0000038019999999 0.0000085009999999 0.00001901 0.000042499999999 0.00009504 108-39-4 342 144209139 A A m-Cresol Cc1cc(O)ccc1 Tox21_201941 -NCGC00259973-01 196721715 tox21-ror-cho-viability-p1 set3 4 -11.18362682 -6.80390915 -6.85236734 -1.97602252 -6.18027395 -8.18112116 -4.36721046 -7.39142129 -7.4147394 -0.06006421 -4.64727707 -10.91303451 -9.22410181 -6.38038766 -0.17489579 1.1919999999E-9 2.6649999999E-9 5.96E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.332E-7 7.45E-7 0.0000016659999999 0.000003725 0.000008329 0.00001862 0.00004164 0.00009312 311-45-5 9395 144209622 A A Paraoxon [O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1 Tox21_202424 -NCGC00259948-01 196721717 tox21-ror-cho-viability-p1 set3 4 43.2331187906 11.0687575359 -5.0687575359 6 3.0654483358 0.598681355 0.099081909 -3.48001742 -7.24322896 -1.06535747 -1.10654576 -2.67352379 -4.91789486 -4.74111336 -8.39063128 -6.87902283 -3.96491044 -6.19451742 -8.16446614 -3.76452695 -0.09995094 5.10434666 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008241 0.000018429999999 0.00004121 0.00009214 111-76-2 8133 144209597 A A 2-Butoxyethanol CCCCOCCO Tox21_202399 -NCGC00259694-01 196721721 tox21-ror-cho-viability-p1 set3 4 -8.67298802 -5.04318701 10.10262262 -4.53232019 -2.58385511 -3.88525798 -2.25004238 0.10371719 -4.84314845 8.30537402 -7.21030802 -6.3810432 -2.04648484 -5.05745872 -3.78124006 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.000041429999999 0.000092629999999 131-11-3 8554 144209343 A A Dimethyl phthalate COC(=O)c1ccccc1C(=O)OC Tox21_202145 -NCGC00258974-01 196722116 tox21-ror-cho-viability-p1 set3 -3 75.084345771 -37.038737196 -3.5 -40.538737196 4.9549173134 0.8427740075 0.0027947882 -5.04792854 -2.98763327 -5.36055623 3.81437789 -1.03512131 -7.03621253 -7.45542301 -8.00422414 -3.79158344 -4.78785308 -5.11581271 -1.82377488 -1.86364828 -2.13791687 -32.11561433 1.156E-9 2.585E-9 5.78E-9 1.293E-8 2.8899999999E-8 6.463E-8 1.4449999999E-7 3.231E-7 7.225E-7 0.000001616 0.000003613 0.000008078 0.000018059999999 0.00004039 0.000090319999999 127-47-9 638034 144208621 C Fns Retinol acetate CC=1CCCC(C)(C)C=1/C=CC(\C)=C\C=C\C(\C)=C\COC(C)=O Tox21_201423 -NCGC00259442-01 196722120 tox21-ror-cho-viability-p1 set3 4 29.6125700788 10.4114383999 -8.4114383999 2 4.9549173134 0.3789553079 0.2925878493 -10.33509154 -4.7347768 -0.33096386 0.74516826 -9.01405703 -12.05306922 -8.29067808 -8.53369103 -14.509532 -11.18478976 -13.13971198 -9.53742019 -7.88853935 0.0468719 1.76649316 1.1469999999E-9 2.564E-9 5.734E-9 1.282E-8 2.867E-8 6.411E-8 1.434E-7 3.206E-7 7.168E-7 0.000001603 0.000003584 0.0000080139999999 0.00001792 0.00004007 0.0000896 584-13-4 11432 144209091 A A 4-Amino-1,2,4-triazole Nn1cnnc1 Tox21_201893 -NCGC00263442-01 196722519 tox21-ror-cho-viability-p1 set3 4 2.6603212004 -16.161569888 -1.5 -17.661569888 4.9549173134 0.802102362 0.007617058 3.84989442 0.93230153 0.1102971 -1.44433944 -1.51946583 -3.13370606 -11.85717396 -3.84349074 0.571424 -0.52690427 -0.92816171 -17.98409624 -15.28760193 -19.30130824 -17.13931573 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 154-42-7 2723601 170464908 A 6-Thioguanine NC2=Nc1ncnc1C(=S)N2 Tox21_111035_1 -NCGC00255319-01 196700931 tox21-ror-cho-viability-p1 set1 4 1.27779309 -0.97866403 0.89670998 1.95113221 1.31425974 3.39679448 0.15214996 0.62956341 0.9429294 0.57081688 1.57672314 3.75263375 5.11039668 6.75128665 2.64517881 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58-86-6 135191 144212372 A I D-Xylose O[C@H]1[C@H](O)COC(O)[C@@H]1O Tox21_302055 -NCGC00256099-01 196701326 tox21-ror-cho-viability-p1 set1 -2.4 24.3365162115 -25.302420836 -1.596466116 -26.898886952 0.5 0.7168906087 0.0310282536 -3.54582559 -0.08038843 -1.82558 -0.21037133 -3.41439482 -3.93387615 -1.92579342 -4.29887535 -1.76399449 -10.57792667 -16.95301802 -4.72126487 -8.45182946 -18.10050976 -20.74907246 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66455-29-6 4292413 144211750 B B N-(Alkyl C10-C16)-N,N-dimethylglycine betaine C[N+](C)(CCCCCCCCCCCC)CC([O-])=O Tox21_301433 -NCGC00256251-01 196700513 tox21-ror-cho-viability-p1 set1 4 0.0611305649 4.5308674559 -1.0308674559 3.5 4.9549173134 0.5068850772 0.1747709141 0.32197084 -2.52572288 1.18976323 -2.18722774 -1.80016597 2.09805705 2.82603715 7.02178714 2.93322301 2.98435347 8.30415505 5.01604018 2.12826387 -0.41336863 2.28264765 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 32435-46-4 122612 144211968 F F Bis(methacryloyloxyethyl) hydrogen phosphate O=C(OCCOP(O)(=O)OCCOC(=O)C(=C)C)C(=C)C Tox21_301651 -NCGC00255382-01 196700920 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -25.3907417839 1.5 -23.8907417839 4.9549173134 0.820341222 0.005063293 2.17604591 -0.08359547 -2.54596661 -1.39651129 1.46890162 -2.1798504 -1.3148002 5.64458958 3.20930745 3.05123958 3.80976214 2.5796794 -0.20785636 1.78743702 -19.49228482 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-64-1 31298 144212387 A Fns Tetrakis(hydroxymethyl)phosphonium chloride [Cl-].OC[P+](CO)(CO)CO Tox21_302070 -NCGC00255669-01 196701346 tox21-ror-cho-viability-p1 set1 4 61.130564862 -14.953653752 0 -14.953653752 2.0437424601 0.6920957526 0.0423893432 -1.12672083 -0.31901067 0.31081796 -2.30888407 -1.94760705 4.68349554 2.11879426 -0.33768492 2.77242193 0.51605686 -1.5351176 -2.69121602 -0.94935939 -4.21880803 -10.79471146 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79558-09-1 6603901 144212730 A A 4-[3-(4-Acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy-acetic acid Oc2c(ccc(OCCCOc1ccc(OCC(=O)O)cc1)c2CCC)C(C)=O Tox21_302413 -NCGC00258418-01 196701742 tox21-ror-cho-viability-p1 set1 4 27.3337914917 7.9797257599 -4.4797257599 3.5 4.9549173134 0.4874228759 0.1914794366 -8.38835037 -2.40503716 -3.96219728 -0.46781931 -6.70404922 -2.58999611 -6.12533395 -5.40017256 -1.71364593 -8.7331048 -0.46782007 -5.80468282 -4.20647642 4.05554873 1.91122695 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.952E-8 6.6E-8 1.476E-7 3.3E-7 7.379E-7 0.0000016499999999 0.00000369 0.0000082499999999 0.000018449999999 0.00004125 0.000092239999999 5970-45-6 2724192 144208062 A B Zinc(II) acetate dihydrate O.[Zn+2].O.[O-]C(C)=O.[O-]C(C)=O Tox21_200864 -NCGC00257719-01 196701748 tox21-ror-cho-viability-p1 set1 4 2.07407181 0.28515222 2.43782546 -1.05419994 4.52746639 -0.0590883 -7.17068847 4.78622708 3.22157479 -0.25348052 3.37967743 0.13629757 1.398858 2.09815731 0.30955079 1.1989999999E-9 2.6819999999E-9 5.997E-9 1.3409999999E-8 2.998E-8 6.705E-8 1.4989999999E-7 3.352E-7 7.496E-7 0.000001676 0.000003748 0.000008381 0.000018739999999 0.000041899999999 0.0000937 2403-88-5 75471 144207363 A A 2,2,6,6-Tetramethyl- 4-piperidinol OC1CC(C)(C)NC(C)(C)C1 Tox21_200165 -NCGC00258488-01 196701749 tox21-ror-cho-viability-p1 set1 4 0.0173165759 -5.562109768 -7.534928124 -13.097037892 4.9549173134 0.4416773336 0.2508651939 -8.8174379 -7.54868824 -6.27910677 -8.47866817 -12.71136587 -13.41113838 -17.58086491 -11.62970353 -6.75227017 -17.08500894 -14.38791359 -12.01366411 -17.12992986 -9.99989211 -7.05218197 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.312E-7 7.405E-7 0.000001656 0.000003702 0.000008279 0.00001851 0.0000414 0.00009256 8001-79-4 144208132 M Fns Castor oil Tox21_200934 -NCGC00257682-01 196702157 tox21-ror-cho-viability-p1 set1 -2.2 79.4458592809 -61.8402814967 1.5826486019 -60.2576328948 2.9522712143 0.9079665374 0.0002119905 -5.29056331 0.15399066 0.19852782 8.52379209 2.35564882 1.22803514 6.12048122 2.57489057 7.23383041 2.81972311 0.22180995 -1.74114051 -7.074271 -11.53476314 -45.64972189 1.4679999999E-9 3.283E-9 7.341E-9 1.642E-8 3.6709999999E-8 8.2079999999E-8 1.835E-7 4.1039999999E-7 9.1769999999E-7 0.000002052 0.000004588 0.00001026 0.00002294 0.000051299999999 0.0001147 9004-98-2 5364713 144207326 AC A Polyoxyethylene (20) oleylether OCCOCCCCCCCC/C=C\CCCCCCCC Tox21_200128 -NCGC00258165-01 196702158 tox21-ror-cho-viability-p1 set1 4 3.57336473 0.4437602 5.07107227 4.33305311 0.00335771 3.11340335 0.27974278 2.23046499 1.4664137 3.54157718 0.0738664 -0.1689411 10.27291632 6.2570603 4.9046248 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.000092909999999 74440-81-6 2734239 144207809 A A 1-Hexylpyridinium bromide [Br-].CCCCCC[n+]1ccccc1 Tox21_200611 -NCGC00258119-01 196702161 tox21-ror-cho-viability-p1 set1 4 2.0948921 -0.60984099 2.99788926 1.01783608 -0.93036826 -0.75207848 2.23235412 4.19528803 1.48045142 2.48181814 1.00096711 0.60259677 3.00928418 2.67759316 5.50614014 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041219999999 0.00009218 58543-16-1 60196371 144207763 A A Rebaudioside A O[C@@H]8[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]8OC(=O)[C@]7(C)CCC[C@@]5(C)[C@@H]7CC[C@]16CC(=C)[C@@H](C1)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]4OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H]56 Tox21_200565 -NCGC00091532-04 196703773 tox21-ror-cho-viability-p1 set1 4 0.11678269 -0.05485629 -0.25575809 0.28245344 0.03324955 3.02664116 1.22828216 -1.89440408 2.74376897 0.06338107 0.17024029 2.59398325 0.56974179 -0.12868743 4.40433036 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00260667-01 196703787 tox21-ror-cho-viability-p1 set1 4 2.30826607 -0.38415123 2.36361838 -0.71347004 -0.56635597 -1.53345117 -0.30487614 -10.20056408 -1.10879709 2.47892948 0.58705688 0.81477353 -0.716822 2.19233785 3.49824951 1.149E-9 2.568E-9 5.743E-9 1.284E-8 2.872E-8 6.421E-8 1.436E-7 3.211E-7 7.1789999999E-7 0.0000016049999999 0.000003589 0.0000080259999999 0.00001795 0.00004013 0.000089739999999 71-55-6 6278 144210320 Fns 1,1,1-Trichloroethane CC(Cl)(Cl)Cl Tox21_203122 -NCGC00260328-01 196703372 tox21-ror-cho-viability-p1 set1 4 -0.6871417 5.38462039 4.66969691 5.84230029 0.02347276 3.87329994 0.24084393 0.21615801 -0.60210118 1.52004567 1.7381236 3.84434042 1.59986897 0.60257374 4.53244691 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.00004117 0.000092069999999 140-79-4 8819 144209980 A Z Dinitrosopiperazine O=NN1CCN(N=O)CC1 Tox21_202782 -NCGC00260517-01 196703373 tox21-ror-cho-viability-p1 set1 4 0.78191484 1.48286621 3.29512723 -5.15732148 -0.54436701 0.982228 0.68527047 1.65196124 3.68364633 -6.48565136 7.47915659 -0.41633732 -7.06093121 -0.89657655 -6.69670524 1.1739999999E-9 2.626E-9 5.871E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.282E-7 7.339E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.000091739999999 153-78-6 1539 144210169 A A 2-Aminofluorene Nc1ccc2c3ccccc3Cc2c1 Tox21_202971 -NCGC00090987-03 196703789 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -21.275714652 -2 -23.275714652 3.0654483358 0.5947762113 0.1010530162 1.16048741 1.43040145 -8.24208043 -2.87622544 -1.99267739 1.21759215 0.96323202 -4.40508901 1.57302458 -4.40222139 -8.71702955 -0.44441301 -3.99464409 -5.28854061 -17.72976221 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00247351-03 196704192 tox21-ror-cho-viability-p1 set1 4 -1.39052056 1.54607113 2.16787213 0.77538998 -1.35056763 -3.72352837 1.57321726 -4.31143743 -3.15265095 1.26986994 -1.62624782 -2.62031746 -1.53078348 -3.34210423 -4.13400539 1.165E-9 2.605E-9 5.825E-9 1.302E-8 2.912E-8 6.5119999999E-8 1.456E-7 3.256E-7 7.281E-7 0.000001628 0.000003641 0.000008141 0.0000182 0.0000407 0.00009101 124819-25-6 12259683 144206430 A A (-)-Pentazocine succinate O=C(O)CCC(=O)O.C/C(C)=C\CN2CC[C@@]1(C)c3cc(O)ccc3C[C@@H]2[C@@H]1C Tox21_112877 -NCGC00166397-04 196704197 tox21-ror-cho-viability-p1 set1 -2.2 29.8492948118 -70.0153009105 2.1090431905 -67.90625772 4.0949729863 0.9057416038 0.0002390398 0.60060501 0.12324726 1.01812686 1.55937482 0.86071351 19.98058809 1.6649558 -1.16387335 1.83214994 -0.95556855 0.4149243 1.30261901 0.23030887 -10.43711882 -57.8385481 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26786-32-3 33611 170465926 D Lofepramine hydrochloride Cl.Clc1ccc(cc1)C(=O)CN(C)CCCN3c4ccccc4CCc2ccccc23 Tox21_112414_1 -NCGC00016786-15 196704200 tox21-ror-cho-viability-p1 set1 -1.2 0.6682424727 -49.265162998 -0.860031225 -50.125194223 1.331 0.9813027661 3.21E-8 -1.16918789 -3.89910002 -0.98167067 1.2975103 -4.9420251 -2.94655246 0.88348229 -2.53283176 -21.39611387 -27.25817975 -39.04663768 -45.01814581 -50.50449077 -52.30280195 -47.46918597 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 24280-93-1 446541 170465182 A Mycophenolic acid O=C(O)CCC(\C)=C\Cc1c(O)c2C(=O)OCc2c(C)c1OC Tox21_110610_1 -NCGC00253627-01 196704203 tox21-ror-cho-viability-p1 set1 4 1.60282837 2.83456407 2.09634667 2.66881408 0.48043686 3.48918348 -0.29713674 0.70746641 0.09895103 -2.4285513 0.01328569 0.35206287 0.70511473 0.07371965 -2.8470587 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 153168-05-9 1684 170466405 A A Pleconaril Cc1cc(on1)CCCOc2c(C)cc(cc2C)c3nc(on3)C(F)(F)F Tox21_113756 -NCGC00274083-01 196704603 tox21-ror-cho-viability-p1 set1 4 -0.02268816 -0.57410196 0.20513769 -0.03217091 0.00943862 -0.73290073 -1.14450066 0.43390771 3.2351218 -0.98107553 -0.43274247 -0.38012377 0.16778381 4.14268305 4.80862793 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 107097-80-3 60182 170465971 A A Loxiglumide Clc1ccc(cc1Cl)C(=O)NC(CCC(=O)O)C(=O)N(CCCCC)CCCOC Tox21_113968 -NCGC00164532-02 196704605 tox21-ror-cho-viability-p1 set1 4 1.65348517 0.1507577 0.38202297 -8.49353844 -0.38341431 0.92838238 1.71282726 -1.73890157 2.56811794 -7.41609568 0.06518905 3.31981255 1.32923642 -3.4020336 5.11303526 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1693-37-4 74325 170466245 A Parapropamol Oc1ccc(NC(=O)CC)cc1 Tox21_112163_1 -NCGC00092386-13 196704609 tox21-ror-cho-viability-p1 set1 4 -4.68165031 -2.01961284 1.41306907 -1.5671502 -3.73124406 0.79890133 -1.16442741 -1.14088103 -3.48404492 0.68478545 -4.13791606 1.39727701 -0.28268732 -1.9207795 -2.09581974 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79559-97-0 63009 170465121 A Sertraline hydrochloride Cl.Clc1ccc(cc1Cl)[C@@H]3CC[C@H](NC)c2ccccc23 Tox21_111199_1 -NCGC00091261-03 196704617 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -10.957353328 0.5 -10.457353328 4.9549173134 0.4717823116 0.206581891 -0.52261909 2.48605352 4.22621167 -0.30974658 0.12356947 2.12693751 0.83793788 -0.44044363 -6.54218232 -1.15370087 0.94966345 0.73406664 1.90057922 0.20555733 -8.29779444 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00090942-03 196710279 tox21-ror-cho-viability-p1 set2 -3 76.9588215421 -81.0313750756 -2.4471145069 -83.4784895825 4.9549173134 0.962374661 0.000001741 -4.21935254 -1.50588911 -0.71623162 -2.08680952 -3.94394433 -1.19306019 -3.4824854 -3.12189376 -3.68248569 -4.41546591 -3.75280085 -3.53568915 -2.53568955 3.21837556 -66.25276951 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00255685-01 196709862 tox21-ror-cho-viability-p1 set2 4 0.70350803 3.00632003 5.08358638 -0.08509626 4.64304953 0.95441326 -2.08694081 0.57377078 -0.01828167 -1.26094019 0.23542706 0.47522556 3.63257233 0.43247272 3.1103425 1.2359999999E-9 2.765E-9 6.1819999999E-9 1.382E-8 3.091E-8 6.911E-8 1.545E-7 3.456E-7 7.727E-7 0.0000017279999999 0.000003864 0.000008639 0.000019319999999 0.0000432 0.00009659 7080-50-4 517414 144212753 C Chloramine-T trihydrate [Na+].O.O.O.Cc1ccc(cc1)S(=O)(=O)[N-]Cl Tox21_302436 -NCGC00255399-01 196709867 tox21-ror-cho-viability-p1 set2 4 34.3762428541 -11.871926272 0.5 -11.371926272 0.7999999999 0.7452998069 0.0214218658 0.10440763 -0.90159232 -0.56122165 5.31980102 0.0851062 0.74568369 0.31098926 0.42997215 -1.72453005 -1.12151536 -1.70973375 -1.79694901 -2.40311651 -7.14121251 -7.80993856 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81-54-9 6683 144211843 A A Purpurin O=C2c1ccccc1C(=O)c3c2c(O)cc(O)c3O Tox21_301526 -NCGC00091380-04 196709870 tox21-ror-cho-viability-p1 set2 4 0.61947291 -0.5559575 -0.37036598 1.37583909 0.95009816 2.3714251 -0.16754925 2.18007 2.23674747 2.00548431 -0.11200406 0.77489437 -0.48046244 1.86560649 6.68913736 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00255122-01 196710291 tox21-ror-cho-viability-p1 set2 4 68.5896218971 12.0795632599 -0.5795632599 11.5 4.9549173134 0.82711542 0.0044180213 -2.14963605 -1.10229007 -2.07216191 0.01407854 1.19667783 1.20038494 -1.34145508 -1.5876369 -1.49804138 0.88430298 -0.77918689 -1.36384623 0.48973057 -0.59241983 9.18916904 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 29122-68-7 2249 144212743 B A Atenolol CC(C)NCC(O)COc1ccc(cc1)CC(N)=O Tox21_302426 -NCGC00255168-01 196710700 tox21-ror-cho-viability-p1 set2 4 -3.7364991 -0.50085377 -3.36834136 -0.60187715 -3.45541983 -7.28691401 -7.60308726 -7.32768373 1.05640761 -0.70467944 -0.16852907 -1.44521419 -0.42207302 -6.77443699 -10.53674249 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-57-2 54675779 144212697 D Oxytetracycline NC(=O)C=3C(=O)[C@@]4(O)C(O)=C2C(=O)c1c(O)cccc1[C@@](C)(O)[C@H]2[C@H](O)[C@H]4[C@@H](C=3O)N(C)C Tox21_302380 -NCGC00256048-01 196711100 tox21-ror-cho-viability-p1 set2 4 43.2771256911 -11.93324428 -0.5 -12.43324428 0.6999999999 0.3622461974 0.3098187108 -9.19735026 -0.91517732 1.80005094 1.58946169 2.15963201 1.03052843 -3.60011103 1.33302483 -0.07746009 -0.45704572 -6.84357314 -3.34846886 -4.11138707 -3.6010115 -10.3610369 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16969-10-1 4443516 144212023 A A 2-Hydroxy-3-phenoxypropyl prop-2-enoate C=CC(=O)OCC(O)COc1ccccc1 Tox21_301706 -NCGC00256174-01 196711103 tox21-ror-cho-viability-p1 set2 4 4.23249608 5.20083284 0.66646636 2.33394659 3.00261859 0.63354667 1.86399362 1.87791979 0.45607665 2.25575537 2.78982223 4.16733433 3.78554404 1.94297662 1.46874509 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-27-3 62328 144212092 A Ac Terpinyl propionate CCC(=O)OC(C)(C)C1CC=C(C)CC1 Tox21_301775 -NCGC00255162-01 196711107 tox21-ror-cho-viability-p1 set2 4 0.0038570779 16.103775384 -15.103775384 1 0.3 0.5646965704 0.1402731982 -7.35988069 -10.91981282 -3.0967599 -9.29247464 -0.15356153 -4.17926526 -5.04747112 -4.08921648 0.49674486 0.23406906 -3.46015589 0.44910073 0.9106013 -0.81103452 -3.63091 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26896-20-8 62817 144212561 Z F Neodecanoic acid CC(C)CCC(C)(CC)C(=O)O Tox21_302244 -NCGC00255202-01 196711118 tox21-ror-cho-viability-p1 set2 -2.4 61.130564862 -30.3547007719 -0.5 -30.8547007719 2.1876167061 0.9040908815 0.0002630448 -5.46562935 0.09185427 -0.30083833 -0.34908982 0.33155341 1.71120938 -0.20063793 -0.24336055 -0.14649237 2.61162486 -0.05440083 -3.24205071 -4.18005941 -8.23991986 -22.37891731 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26049-71-8 93098 144212060 F Fns 2-Hydrazino-4-(4-aminophenyl) thiazole NNc1nc(cs1)c2ccc(N)cc2 Tox21_301743 -NCGC00260520-01 196711533 tox21-ror-cho-viability-p1 set2 4 43.3211400593 14.868839708 1.131160292 16 0.3 0.3639519043 0.3249400807 0.2547775 2.23177473 3.28605517 2.54041168 3.06026914 -0.72403309 5.92386598 7.65108888 3.9877365 2.19049904 8.13087893 6.97247029 1.26353963 12.79925445 -11.70482082 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.0000036909999999 0.000008252 0.000018449999999 0.000041259999999 0.00009226 1640-39-7 15427 144210172 A Fc 2,3,3-Trimethylindolenine CC1(C)c2ccccc2N=C1C Tox21_202974 -NCGC00091483-03 196697637 tox21-ror-cho-viability-p1 set1 -2.4 54.4826732819 -34.037628352 1 -33.037628352 3.1924983358 0.9662789616 9.457E-7 1.87241298 -0.70580415 -0.30832472 -0.0657983 4.51021175 3.66791516 -0.04382388 0.43292325 0.74772925 1.50235842 0.22382292 0.66005837 0.17589361 -9.37234104 -27.53135696 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00260101-01 196723798 tox21-ror-cho-viability-p1 set3 4 -1.65062675 1.0631542 -1.41122574 2.36902872 -1.10805517 -2.04767939 -7.58012061 -0.48911 -2.80780799 0.72520702 -1.53647646 -7.14671216 -0.79239017 -0.75096576 -4.27607416 1.202E-9 2.6889999999E-9 6.0119999999E-9 1.344E-8 3.006E-8 6.722E-8 1.503E-7 3.361E-7 7.516E-7 0.0000016809999999 0.000003758 0.000008403 0.000018789999999 0.00004201 0.00009394 80-10-4 6627 144209750 F F Dichlorodiphenylsilane Cl[Si](Cl)(c1ccccc1)c2ccccc2 Tox21_202552 -NCGC00163927-04 196723803 tox21-ror-cho-viability-p1 set3 4 1.5715158041 -6.543810244 4 -2.543810244 0.9999999999 0.4222076185 0.2695055238 -3.36984187 4.00417153 4.41647098 3.72183194 6.95750573 7.37639205 4.96894635 2.29466951 -2.2060345 2.82231207 1.11061139 -2.68537752 -2.47990154 -2.25829389 12.00116291 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00023234-05 196697630 tox21-ror-cho-viability-p1 set1 4 -0.60226023 1.46361725 -0.10019782 0.64211505 3.43470356 2.02168655 2.61120816 5.33889596 0.99147224 1.11370411 1.85096303 5.18502 5.97428212 -0.81003463 2.32851819 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1524-88-5 15209 170465298 F Flurandrenolide OCC(=O)[C@@]54OC(C)(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3C[C@H](F)C1=CC(=O)CC[C@@]12C Tox21_110509_1 -NCGC00179382-03 196697646 tox21-ror-cho-viability-p1 set1 4 -2.39580652 -3.96509736 2.57533621 1.21036837 -0.66209386 0.30640219 1.87207365 1.65111728 -0.69660125 2.25299794 -6.71258967 -1.3088797 2.32071031 -4.477446 0.66921734 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 532-76-3 102426 170465088 A Hexylcaine hydrochloride Cl.CC(CNC1CCCCC1)OC(=O)c2ccccc2 Tox21_110456_1 -NCGC00090704-03 196697652 tox21-ror-cho-viability-p1 set1 4 -1.46263342 -4.02976584 0.69568204 1.1589544 -5.25010415 -3.23250137 1.97545566 1.1120057 0.74992626 -0.83799237 -0.7205798 2.46061449 1.00189911 -3.58675694 5.06213456 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00179625-03 196697654 tox21-ror-cho-viability-p1 set1 4 37.5780357627 -17.497269992 0 -17.497269992 0.6 0.574778988 0.1167041902 -0.82669487 -0.49641806 3.03725957 -0.50663617 -0.3649005 2.13437 -0.72501532 -1.15620234 -6.6300803 -0.29727619 -0.49386492 -6.83199871 -4.08615493 -2.87008688 -12.91439166 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2347-80-0 92178 170465871 A Thioproperazine dimethanesulfonate CS(=O)(=O)O.CS(=O)(=O)O.CN(C)S(=O)(=O)c2cc3N(CCCN1CCN(C)CC1)c4ccccc4Sc3cc2 Tox21_110751_1 -NCGC00021122-08 196698064 tox21-ror-cho-viability-p1 set1 4 0.15362366 0.57778487 3.08826881 0.7308593 -3.86671817 0.96744274 0.2078445 3.66299042 2.56878596 0.33258651 2.59153093 0.53291544 0.99084869 1.88492799 -5.03649475 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5560-59-8 21718 170466248 A Alverine citrate O=C(O)C(O)(CC(=O)O)CC(=O)O.CCN(CCCc1ccccc1)CCCc2ccccc2 Tox21_110757_1 -NCGC00181749-01 196698069 tox21-ror-cho-viability-p1 set1 4 0.3757803576 7.6065506359 -3.1065506359 4.5 0.7 0.7521773124 0.0192400082 -2.62740382 -2.70219977 -4.25988639 -0.83640515 -4.67212553 -2.26535812 -0.02516326 -0.80497109 2.48423517 -1.31582294 4.37448912 4.09599516 1.85649041 2.67327309 6.17768605 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 75498-96-3 60196336 144206473 D D Cefminox sodium [Na+].[O-]C(=O)[C@H](N)CSCC(=O)N[C@]3(OC)C(=O)N2C(=C(CSc1nnnn1C)CS[C@@H]23)C(=O)O Tox21_112920 -NCGC00177971-03 196698070 tox21-ror-cho-viability-p1 set1 4 18.8336317891 -29.722088736 2 -27.722088736 0.5 0.8733779733 0.0010260744 0.12356747 4.16177889 0.42326094 0.34611736 2.25753251 0.33158584 -0.87413519 0.65641394 -0.82742759 -0.07273879 -9.12616326 -9.74078503 -8.31837867 -9.86981755 -19.76840728 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66575-29-9 47936 170466094 A Forskolin CC(=O)O[C@H]2[C@@H](O)[C@@H]1[C@](C)([C@@H](O)CCC1(C)C)[C@@]3(O)C(=O)C[C@](C)(C=C)O[C@]23C Tox21_110940_1 -NCGC00249084-02 196704227 tox21-ror-cho-viability-p1 set1 4 -3.49029349 0.61448437 0.36249151 0.82503192 0.79873974 0.28645598 0.67372592 5.71078506 0.13541218 3.61672394 -3.73122481 0.90840246 5.73261435 0.94783003 6.13574057 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 551-92-8 3090 170466369 A A 1,2-Dimethyl-5-nitroimidazole O=[N+]([O-])c1cnc(C)n1C Tox21_113657 -NCGC00162150-04 196704214 tox21-ror-cho-viability-p1 set1 -2.4 21.1316824289 -23.576872112 1.5 -22.076872112 3.0654483358 0.8772344812 0.0008850037 -2.84360221 0.65187391 2.562839 0.86149346 0.97144758 4.59647049 1.77318672 3.69919615 0.71263499 0.44170752 -2.99646238 5.00304133 1.20219368 -9.91686552 -20.48072676 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 132203-70-4 5282138 170465867 A Cilnidipine CC=1NC(C)=C(C(C=1C(=O)OCCOC)c2cccc(c2)[N+]([O-])=O)C(=O)OC/C=C/c3ccccc3 Tox21_112001_1 -NCGC00025295-02 196704215 tox21-ror-cho-viability-p1 set1 4 0.66399759 -0.02491075 3.98811086 0.24415528 3.02500658 0.54494366 0.33677514 1.14998507 1.61251023 3.59366694 3.1686724 -2.4139684 0.30558722 1.55561739 4.81391065 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 99617-34-2 9928181 170466418 A Zacopride hydrochloride Cl.Clc1cc(c(OC)cc1N)C(=O)NC3CN2CCC3CC2 Tox21_110959_1 -NCGC00244580-01 196704217 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -30.133657004 -3.5 -33.633657004 0.9999999999 0.7985465939 0.0082314965 -8.24754939 -3.31543414 -0.63066967 -3.92774051 -3.94919275 -3.8644427 -4.12795271 -0.92941059 -5.35498996 0.17904704 -9.19123443 -6.43410319 -5.95537322 -13.88757844 -24.69471417 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00163724-03 196704636 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -23.2861894399 -1.5 -24.7861894399 4.9549173134 0.7439943313 0.021465439 -0.75322822 -2.25974531 -2.2776873 -2.04594814 -1.72703883 0.17372034 -5.40182194 -0.78329615 -7.65754242 -3.00485848 -0.95263794 -1.13100873 3.84101691 -0.75390991 -18.9884912 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00163818-04 196705050 tox21-ror-cho-viability-p1 set1 -2.4 4.3277125691 -22.5597363919 0 -22.5597363919 1.331 0.9844341159 1.11E-8 0.11327467 -0.34278334 -0.47184499 0.43637152 0.28991113 0.25074871 0.00826075 -0.70721929 -2.17336794 -3.60338496 -10.82372452 -17.67159683 -17.91050415 -20.00342999 -24.63311366 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00163919-02 196705062 tox21-ror-cho-viability-p1 set1 4 -0.98338222 1.90625318 3.61070538 2.65986466 -0.37536962 0.53038399 2.16356964 1.41877296 0.38559773 3.31147879 1.87323371 0.53523158 0.574636 4.03292217 -5.66742359 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00166114-03 196705064 tox21-ror-cho-viability-p1 set1 4 23.7101376556 -12.2937203039 0.5 -11.7937203039 0.5 0.4814950016 0.1972213814 0.09089388 -1.00937749 -1.72715752 -0.83472084 6.87621285 0.26458845 0.5898061 -1.86017682 0.60609572 -2.55675578 -5.12799026 -4.337153 -1.40167481 -3.18156301 -8.99476692 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17372-87-1 11048 170466832 F Eosin [Na+].[Na+].[O-]C(=O)c4ccccc4C=2c3cc(Br)c([O-])c(Br)c3OC=1C=2C=C(Br)C(=O)C=1Br Tox21_112323_1 -NCGC00256286-01 196700926 tox21-ror-cho-viability-p1 set1 4 7.8134256949 3.6659912559 -0.6659912559 3 4.9549173134 0.3482440979 0.326897385 1.76606886 0.78057272 -1.06024105 0.65219014 -4.42022429 -0.39364723 0.41323116 -0.25660894 0.72476752 -0.01760959 -5.97165938 2.302072 1.74388252 5.06203344 1.85695171 1.195E-9 2.672E-9 5.975E-9 1.336E-8 2.988E-8 6.6809999999E-8 1.494E-7 3.34E-7 7.469E-7 0.0000016699999999 0.000003735 0.000008351 0.00001867 0.00004175 0.00009336 142-64-3 8893 144212660 A A Piperazine dihydrochloride Cl.Cl.C1CNCCN1 Tox21_302343 -NCGC00255499-01 196700509 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -25.393619216 -2 -27.393619216 0.9999999999 0.7202100413 0.0298368403 -5.15610905 2.80211682 -2.14042039 -1.32089898 -0.77568144 -3.26009823 -0.62912755 -2.83700896 -8.59840557 -0.19494372 -1.64532619 -5.32712122 -7.59435992 -7.89215852 -19.49468268 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1918-13-4 2734819 144212524 A A Chlorthiamid S=C(N)c1c(Cl)cccc1Cl Tox21_302207 -NCGC00255857-01 196700906 tox21-ror-cho-viability-p1 set1 4 27.3060203028 -19.58480442 0 -19.58480442 4.9549173134 0.9250072668 0.0000742468 0.71931993 0.45249643 1.19212124 -4.86438919 1.15583929 0.75694288 1.02308014 -1.47589648 0.93618577 -0.34391771 0.83355839 0.36095058 0.07985596 -20.07067035 -17.80810309 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13457-18-6 26033 144211676 A A Pyrazophos O=C(OCC)c1cn2nc(cc2nc1C)OP(=S)(OCC)OCC Tox21_301359 -NCGC00255650-01 196700910 tox21-ror-cho-viability-p1 set1 4 -5.12086838 0.41576705 0.24990828 -3.06900999 -4.11896468 1.95230232 0.16345549 -0.35320674 0.4518171 1.31110813 -8.08443908 3.07864176 0.04780794 1.83293914 0.1174834 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5251-93-4 21322 144212200 A A Benzadox O=C(NOCC(=O)O)c1ccccc1 Tox21_301883 -NCGC00260327-01 196712365 tox21-ror-cho-viability-p1 set2 4 -5.75058545 -2.62629026 -11.50837138 -6.70001148 -3.87374864 -10.52598938 -13.48251271 -4.57544575 0 -46.86582518 0 -0.46901724 -2.4484221 -33.49087665 -9.12939846 2.959E-10 6.617E-10 1.4799999999E-9 3.3089999999E-9 7.3979999999E-9 1.6539999999E-8 3.699E-8 8.272E-8 1.85E-7 4.136E-7 9.2479999999E-7 0.000002068 0.0000046239999999 0.00001034 0.00002312 139-05-9 23665706 144209979 A A Sodium cyclamate [Na+].O=S([O-])(=O)NC1CCCCC1 Tox21_202781 -NCGC00260595-01 196712360 tox21-ror-cho-viability-p1 set2 4 0.0188336318 -13.646791688 -1.5 -15.146791688 4.9549173134 0.3812175041 0.3056319857 -1.07614597 0.18195168 -2.96598249 -4.05923531 -0.23652358 -22.22445961 -12.22528686 -5.0822045 -17.41830638 -11.73635213 -8.18074305 -28.48949693 0 -29.70565974 5.84230509 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49491 144210248 M M NTP Mix50 CT1 3-EQP Tox21_203050 -NCGC00091632-02 196712364 tox21-ror-cho-viability-p1 set2 4 3.57580629 0.75636354 3.05284814 3.23080383 1.55286431 2.03803993 1.28600765 4.30385186 3.31394981 5.99061844 3.15205852 6.41824028 4.82618619 5.22384332 6.40472603 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00093362-05 196712779 tox21-ror-cho-viability-p1 set2 4 -3.9271529 -6.15976001 -3.61009292 -0.05597317 -2.32430483 -1.34175633 -1.21284443 -6.37901257 -1.06791751 -2.69882716 -2.60862531 -1.73713327 0.3579196 0.05388806 2.68569885 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54856-23-4 6420033 170465694 Z Betahistine mesylate CS(=O)(=O)O.CNCCc1ccccn1 Tox21_110786_1 -NCGC00182997-01 196712785 tox21-ror-cho-viability-p1 set2 4 -6.57166839 -3.92719257 -2.65691897 -2.39912184 -3.12268831 -5.1610712 -1.01514122 -6.63561344 -1.83900469 1.96390403 -0.86508557 -2.17326834 0.36703292 -4.32115376 -3.65437558 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14417-88-0 20054967 144206837 Ac Fc Melinamide CCCCC\C=C/C\C=C/CCCCCCCC(=O)NC(C)c1ccccc1 Tox21_113286 -NCGC00260514-01 196711957 tox21-ror-cho-viability-p1 set2 4 -1.56495469 -1.60119212 -1.38919425 -1.49095803 5.36214569 -1.27609524 5.3940038 2.36974445 -0.94011748 1.99355317 1.60987724 3.31733729 0.52923121 2.908643 -2.1923498 1.193E-9 2.6679999999E-9 5.9659999999E-9 1.3339999999E-8 2.9829999999E-8 6.67E-8 1.491E-7 3.335E-7 7.457E-7 0.000001668 0.0000037289999999 0.0000083379999999 0.00001864 0.000041689999999 0.000093219999999 1689-82-3 5354198 144210166 A A p-Phenylazophenol Oc2ccc(/N=N/c1ccccc1)cc2 Tox21_202968 -NCGC00255895-01 196711149 tox21-ror-cho-viability-p1 set2 4 -0.99034654 -2.99324943 -0.33262703 -3.31454176 0.17828937 1.38128296 1.30974826 0.82452528 -1.27481119 -0.09650174 0.61960212 -2.33838535 -2.69972251 -3.08683866 -6.22658436 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 54982-83-1 41270 144212523 F A 1,4-Dioxacyclohexadecane-5,16-dione O=C1CCCCCCCCCCC(=O)OCCO1 Tox21_302206 -NCGC00260462-01 196711543 tox21-ror-cho-viability-p1 set2 4 0.9816768115 -13.168882636 0.5 -12.668882636 1.826479391 0.5854485797 0.1075252558 1.98433847 -2.08573642 -1.05495816 -0.30640028 -0.48895109 2.51705291 0.15882157 -0.01239463 -3.91591325 -12.71892169 -1.97512649 -23.89073553 -13.499871 -3.56658925 -16.31198404 1.193E-9 2.667E-9 5.963E-9 1.333E-8 2.981E-8 6.6669999999E-8 1.491E-7 3.3329999999E-7 7.4539999999E-7 0.0000016669999999 0.0000037269999999 0.000008333 0.00001863 0.00004167 0.00009317 3764-01-0 77378 144210114 Z C 2,4,6-Trichloropyrimidine Clc1cc(Cl)nc(Cl)n1 Tox21_202916 -NCGC00357070-01 196711556 tox21-ror-cho-viability-p1 set2 4 -1.55707762 -0.59742151 -2.82201606 -8.64409911 -1.86955175 -2.42422221 -19.96005563 -3.92647742 0 0 -16.33342438 0 0 -10.77324728 -22.75067783 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-58-1 7818 251919846 Fns 1,4-Dimethylpiperazine CN1CCN(C)CC1 Tox21_303778 -NCGC00090780-04 196711967 tox21-ror-cho-viability-p1 set2 4 -0.64205449 -0.04496191 -0.38827077 0.16186709 -1.55476095 -0.20622119 3.08690137 0.59014631 -0.65916238 5.77760782 2.67448094 0.8396153 -0.03611846 -4.70071813 2.46179644 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00356944-01 196711969 tox21-ror-cho-viability-p1 set2 -1.4 2.4336516212 -17.4567495439 -4 -21.4567495439 4.9549173134 0.4816065855 0.2114001549 -1.96950006 -4.50673822 -7.24770728 -4.4037502 -3.12639814 -14.90133844 -3.63445321 0 0 0 -31.63062462 0 -26.94090153 -27.63570938 0.2447045 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 498-81-7 10353 251919769 I Dihydro-alpha-terpineol CC1CCC(CC1)C(O)(C)C Tox21_303808 -NCGC00260240-01 196711971 tox21-ror-cho-viability-p1 set2 4 6.08978345 -0.22720581 5.74513132 -2.96401411 6.15429053 2.72487433 1.95413057 2.44289776 1.45214629 1.22140704 -1.33408153 4.08490113 -15.55697833 8.24132858 14.11557441 1.182E-9 2.6429999999E-9 5.91E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.304E-7 7.387E-7 0.0000016519999999 0.0000036939999999 0.000008259 0.000018469999999 0.000041299999999 0.00009234 874-81-7 14007922 144209890 F 1-Butylpyridinium iodide [I-].CCCC[n+]1ccccc1 Tox21_202692 -NCGC00091532-04 196711978 tox21-ror-cho-viability-p1 set2 -2.2 55.1482208978 -39.4644857304 -4 -43.4644857304 2.4063783767 0.8205879847 0.0050056227 -2.64130491 0 -9.81417951 -4.40520905 -3.67660278 0 -0.98010923 -9.38249886 -5.79367105 -8.47204295 -8.09698858 0 0 -19.95459381 -34.44279222 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00091632-02 196698916 tox21-ror-cho-viability-p1 set1 4 2.62597437 3.09191654 4.60731126 0.08129435 -1.25522653 -2.13140633 -1.47998687 2.30026919 1.46977381 4.43279509 -1.58959933 1.64274869 0.43941819 -1.21790617 -0.79571014 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00274278-01 196698505 tox21-ror-cho-viability-p1 set1 4 0.77043279 10.22628451 0.5598748 0.90029754 0.7160852 3.64543873 0.68626159 5.70884995 1.72467265 0.23486342 0.7513361 5.0854626 0.40790616 1.02545935 0.61614712 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13445-60-8 26762 170466352 A B Furfenorex CN(Cc1ccco1)C(C)Cc2ccccc2 Tox21_113981 -NCGC00090721-03 196698507 tox21-ror-cho-viability-p1 set1 4 -0.46689979 -0.7854077 3.14792044 2.8226962 -1.27498129 -0.21844748 1.5720321 7.44180748 2.08547656 3.22469786 2.62141405 1.40187922 4.04968432 3.38901035 3.86900793 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00091367-05 196698513 tox21-ror-cho-viability-p1 set1 4 -0.8943127 2.10456951 3.53513888 -0.38411607 2.29003666 3.25905398 1.06881115 5.36180756 2.86849425 3.42274901 1.71378815 2.87215642 1.96546479 2.2013689 -2.09809644 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 117-10-2 2950 170465532 Ac Danthron Oc3cccc2C(=O)c1cccc(O)c1C(=O)c23 Tox21_111122_1 -NCGC00094532-06 196698920 tox21-ror-cho-viability-p1 set1 4 1.50463585 -0.08015216 0.2956781 -0.12716504 -3.07193507 -6.81152492 0.79030295 0.03786745 0.66907343 0.47714245 -0.0158915 0.87732341 -0.5102323 0.66579221 -0.80295764 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00254613-01 196698925 tox21-ror-cho-viability-p1 set1 4 43.2771256911 -23.4052400879 1 -22.4052400879 0.7999999999 0.647467494 0.0657212401 0.06180042 5.53823831 1.02199672 -4.29207973 1.27986936 3.09837748 2.68215445 4.85828778 -7.98827341 0.19478328 1.09998639 -7.66510147 -6.47157187 -6.8200755 -17.00436674 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87674-68-8 91744 144211022 A A Dimethenamid Cc1csc(C)c1N(C(C)COC)C(=O)CCl Tox21_300705 -NCGC00254897-01 196698929 tox21-ror-cho-viability-p1 set1 -2.2 68.1713220381 -37.0881016159 -3.5 -40.5881016159 1.0999999999 0.7804029253 0.011701293 -1.76142941 -5.87217458 -8.14131338 0.56254185 -3.74497267 -2.94316962 -0.07423004 -5.37707259 -2.61318481 -4.98039165 -9.57142744 -2.58820662 -11.67084967 -10.56823346 -30.49008468 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 112281-77-3 80277 144211312 A A Tetraconazole FC(F)C(F)(F)OCC(Cn1cncn1)c2ccc(Cl)cc2Cl Tox21_300995 -NCGC00254309-01 196699326 tox21-ror-cho-viability-p1 set1 4 19.3311819617 7.2185507199 -3.7185507199 3.5 4.9549173134 0.3278667464 0.3421926589 -7.83889533 -3.52170756 -2.48668002 -2.65812999 0.70271823 -7.79134545 -3.6681333 0.08302455 -0.29760563 -0.49838464 -6.56881362 -12.6821256 0.59762945 0.57479916 5.7540476 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55-18-5 5921 144210851 Ac N-Nitrosodiethylamine CCN(CC)N=O Tox21_300533 -NCGC00254561-01 196699333 tox21-ror-cho-viability-p1 set1 -2.2 68.5896218971 -51.2017874575 -4.374569044 -55.5763565015 2.7202212143 0.9078043631 0.0002141618 -8.13447654 -5.13926743 -5.28938737 -0.1866893 -5.60416717 -5.71104299 -4.68070097 1.64239006 1.3028052 -8.57293324 -5.74885261 -4.57466943 -8.42150652 -13.85421843 -42.10330038 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103112-35-2 3033865 144210970 A A Fenchlorazole-ethyl ClC(Cl)(Cl)c2nc(nn2c1ccc(Cl)cc1Cl)C(=O)OCC Tox21_300653 -NCGC00255552-01 196700154 tox21-ror-cho-viability-p1 set1 4 61.130564862 -22.9319345799 2 -20.9319345799 4.9549173134 0.8291134743 0.0040706956 3.32692453 -1.09114659 -2.88795425 1.32168512 3.86055016 0.14450725 0.52024615 6.29883083 0.48834109 1.87150646 1.31538774 3.31975251 5.07962346 -1.15656281 -18.27661215 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19932-84-4 29858 144211725 A A 6-Chloro-2,3-dihydrobenzoxazol-2-one Clc1ccc2NC(=O)Oc2c1 Tox21_301408 -NCGC00255743-01 196700160 tox21-ror-cho-viability-p1 set1 4 0.26456612 0.78434367 -10.89912383 -1.43361503 0.32464268 -1.15261928 -8.84896838 1.2028383 1.04857814 1.01717927 2.27384112 -0.4835767 0.43967057 -0.7495616 0.52515634 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 682-01-9 69627 144211762 A F Tetrapropyl orthosilicate CCCO[Si](OCCC)(OCCC)OCCC Tox21_301445 -NCGC00024563-05 196698522 tox21-ror-cho-viability-p1 set1 4 0.8412674301 3.46151996 -1.96151996 1.5 4.9549173134 0.3358107407 0.3369462283 -0.23023862 0.22151679 -1.50907327 -3.76767049 -5.15086414 0.22332401 -2.75233288 -0.15926902 -6.2179333 -0.08760775 1.54617433 5.92821467 -2.84612469 0.10107617 3.6420697 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123040-69-7 2264 170466158 Ac Azasetron hydrochloride Clc1cc(c2OCC(=O)N(C)c2c1)C(=O)NC4CN3CCC4CC3 Tox21_110906_1 -NCGC00256788-01 196727140 tox21-ror-cho-viability-p1 set3 4 0.3624299 -0.87423539 -0.26575563 -1.19542268 1.43050066 -1.51503895 0.22294256 -0.31766006 -0.3433383 0.89052936 0.48004303 -0.63391724 0.92810249 -0.82489461 1.24385875 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7779-78-4 62661 144212974 B A 4-Methyl-1-phenyl-2-pentanol OC(Cc1ccccc1)CC(C)C Tox21_302657 -NCGC00162132-03 196726317 tox21-ror-cho-viability-p1 set3 4 0.16785492 -4.2193594479 -0.5 -4.7193594479 4.9549173134 0.4682981406 0.2279051464 1.31292741 -4.46052813 0.3769877 -0.24978077 -0.66933958 0.66111729 -0.63494448 -2.43807291 -6.69998548 -8.93279954 -3.60526747 -2.24147645 -3.16072698 -2.37749216 -0.78490775 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1421-65-4 10131132 170466253 Z Methyl L-DOPA hydrochloride Cl.Oc1ccc(C[C@H](N)C(=O)OC)cc1O Tox21_111221_1 -NCGC00016528-05 196726319 tox21-ror-cho-viability-p1 set3 4 0.0133331902 -4.484930468 -0.5 -4.984930468 4.9549173134 0.3947202136 0.2803055707 -0.54179832 -6.49408596 2.10480049 2.62635333 -3.67331317 -4.51039908 -4.09157382 -3.30944243 -8.32077539 -6.84047369 -4.30272741 -2.1451507 -4.38294335 -5.10745232 -5.96194118 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 637-32-1 9570076 170464800 A Proguanil hydrochloride Cl.Clc1ccc(NC(=N)NC(=N)NC(C)C)cc1 Tox21_110476_1 -NCGC00256399-01 196726725 tox21-ror-cho-viability-p1 set3 4 76.9588215421 17.5838092559 -1.5838092559 16 4.9549173134 0.5160734744 0.164916095 -2.64671836 -2.50670237 -0.86614054 1.50285495 2.3982952 -3.20372654 -2.65706935 -0.9943544 -1.4176019 -0.58830907 -12.15317438 -0.51820701 0.70713434 -1.89402502 11.46006111 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 563-80-4 11251 144213173 Fns 3-Methyl-2-butanone CC(C)C(C)=O Tox21_302856 -NCGC00256548-01 196727156 tox21-ror-cho-viability-p1 set3 4 -0.11304231 0.81288741 0.06673656 2.04002126 -5.26574063 -4.82318929 -4.48306037 -0.24804223 -0.91865997 1.1515068 -0.61170762 -3.20424718 -0.73579966 0.37093265 -6.19793093 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 64-77-7 5505 144213112 A A Tolbutamide Cc1ccc(cc1)S(=O)(=O)NC(=O)NCCCC Tox21_302795 -NCGC00256975-01 196727160 tox21-ror-cho-viability-p1 set3 4 0.20415143 0.45166451 -1.21629932 -2.37278793 -23.56493762 0.72532234 -2.76202915 -0.33887424 -22.86593652 -2.38787752 0 -1.57992888 -2.10680436 1.62376012 3.38042452 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 192-97-2 9128 144213502 A A Benzo(e)pyrene c3ccc2ccc1cccc4c1c2c3c5ccccc45 Tox21_303185 -NCGC00256356-01 196727567 tox21-ror-cho-viability-p1 set3 4 -5.2199889 -21.5684918 -22.52679182 -16.25020472 0 -3.35378639 0 0 -0.70713256 0 0 -22.78924022 -17.47280495 -6.09076369 -7.181258 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-84-6 660 144213062 Ac Ac 3,4-Dihydrocoumarin O=C1CCc2ccccc2O1 Tox21_302745 -NCGC00257255-01 196727568 tox21-ror-cho-viability-p1 set3 4 -0.02457989 -2.85021775 -2.34057584 -1.42652258 -3.53358088 0.16159908 -5.6599621 -1.34907369 -1.02987974 0.00749584 3.17771622 -0.40253376 3.78842878 0.75366762 1.78647204 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2943-75-1 76262 144213951 F Triethoxyoctylsilane CCO[Si](OCC)(OCC)CCCCCCCC Tox21_303648 -NCGC00257013-01 196727579 tox21-ror-cho-viability-p1 set3 4 0.08873645 1.64517623 -1.4762943 1.40199015 1.54474487 1.71454737 2.6631227 0 0 -7.96233552 -4.66381577 0.08456362 3.74994316 5.40439177 1.51589672 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-87-2 6991 144213532 Bc A 1,3-Dimethyl-4-nitrobenzene Cc1cc(C)ccc1[N+](=O)[O-] Tox21_303215 -NCGC00179290-03 196698065 tox21-ror-cho-viability-p1 set1 4 -0.16126811 10.34679299 4.75044331 2.24941502 2.28311221 3.7856595 0.08726502 4.8166885 0.64362981 0.05554876 4.1885585 4.89534185 1.78379368 0.05618851 2.13846026 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33817-20-8 33478 170466065 C Pivampicillin CC(C)(C)C(=O)OCOC(=O)[C@@H]2N3C(=O)[C@@H](NC(=O)[C@H](N)c1ccccc1)[C@H]3SC2(C)C Tox21_110631_1 -NCGC00189077-01 196697643 tox21-ror-cho-viability-p1 set1 4 -1.15761874 -1.26124582 1.15589484 -0.07285463 -3.03487287 -1.586492 -1.10406788 -0.21164438 -0.05298398 1.15426941 0.51416845 -1.90842936 -0.32859692 -2.58708397 0.89913819 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77-41-8 6476 144207162 A A Methsuximide CC1(CC(=O)N(C)C1=O)c2ccccc2 Tox21_113613 -NCGC00091455-09 196697648 tox21-ror-cho-viability-p1 set1 -2.4 33.4914596268 -27.226762656 -1 -28.226762656 4.9549173134 0.7986984707 0.0082006236 -7.51107823 1.13506542 -0.61803014 0.51576871 -5.01824483 0.36177226 1.08283179 -1.37145999 -6.56591295 1.07360303 1.15868292 -0.2446272 -1.43297512 -0.75020322 -23.93896888 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 169590-42-5 2662 170464693 A Celecoxib NS(=O)(=O)c1ccc(cc1)n3nc(cc3c2ccc(C)cc2)C(F)(F)F Tox21_111135_1 -NCGC00178352-06 196698058 tox21-ror-cho-viability-p1 set1 -2.1 26.6032120037 -97.3130868079 -2.0328009389 -99.3458877468 2.7867712143 0.9854163212 7.6E-9 -1.62023539 -4.63985474 3.2477914 -1.66046946 -0.64601185 -5.31341671 2.2525441 -5.39460043 0.03555954 -5.62630966 -1.51063163 -2.48419673 -5.27382977 -34.69958185 -82.08021799 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1715-30-6 102678 170466240 A Alexidine dihydrochloride Cl.Cl.CCCCC(CC)CNC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NCC(CC)CCCC Tox21_111380_1 -NCGC00260448-01 196703000 tox21-ror-cho-viability-p1 set1 4 -1.765474 -5.05420292 -0.62933311 -3.57831563 -4.97514748 -5.40714668 1.19417816 -4.2531011 -4.17009853 -4.21796761 -1.55620758 0.73319832 -8.5317445 -10.25968649 -1.01064768 1.183E-9 2.645E-9 5.913E-9 1.322E-8 2.9569999999E-8 6.611E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.0000082639999999 0.00001848 0.00004132 0.0000924 81-48-1 6680 144210100 Ac Ac D&C Violet 2 Cc1ccc(cc1)Nc4ccc(O)c3c4C(=O)c2ccccc2C3=O Tox21_202902 -NCGC00257777-01 196702582 tox21-ror-cho-viability-p1 set1 4 4.15717816 2.01148492 1.59792509 4.06914885 4.45495022 5.9038974 0.84661465 3.40512254 2.50281315 4.04259483 5.22059554 2.30748326 4.43804869 0.0260008 1.01517325 1.1759999999E-9 2.63E-9 5.8799999999E-9 1.315E-8 2.94E-8 6.574E-8 1.4699999999E-7 3.2869999999E-7 7.35E-7 0.0000016439999999 0.0000036749999999 0.000008218 0.000018379999999 0.00004109 0.00009188 103173-73-5 23160050 144207421 A A 1-Ethylpyridinium hexafluorophosphate F[P-](F)(F)(F)(F)F.CC[n+]1ccccc1 Tox21_200223 -NCGC00257765-01 196702584 tox21-ror-cho-viability-p1 set1 4 -0.5155114 1.95331684 4.68295268 4.05182957 -1.21006772 0.52292628 3.1337492 -1.78383921 5.58643688 2.86094608 -0.59760254 3.80861411 4.78017542 1.67413938 1.97100031 1.177E-9 2.6319999999E-9 5.8849999999E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.356E-7 0.000001645 0.0000036779999999 0.000008225 0.00001839 0.000041119999999 0.00009195 1152-61-0 2723942 144207409 A A N-[(Benzyloxy)carbonyl]-L-aspartic acid O=C(O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1 Tox21_200211 -NCGC00260464-01 196702992 tox21-ror-cho-viability-p1 set1 4 0.64271217 -1.79319289 -1.04500042 0.38993076 -0.58830533 1.19976122 -0.77826465 0.10503988 -0.76188341 -1.7380123 -2.75733917 0.48273038 -1.77767569 -2.1036416 1.18163667 6.081E-11 1.36E-10 3.041E-10 6.799E-10 1.52E-9 3.4E-9 7.602E-9 1.7E-8 3.801E-8 8.499E-8 1.8999999999E-7 4.2499999999E-7 9.502E-7 0.000002125 0.000004751 4584-57-0 5377793 144210116 A A 1,4-Dimethylamino-4-nitrostilbene CN(C)c1ccc(cc1)\C=C\c2ccc(cc2)[N+]([O-])=O Tox21_202918 -NCGC00260297-01 196703005 tox21-ror-cho-viability-p1 set1 4 -1.39053766 1.8681439 0.57771624 2.52028267 0.7165348 1.11343335 0.06891429 1.63537072 2.83146164 1.98722609 0.71135159 3.97610494 1.54169784 -1.23274749 5.98328358 2.7849999999E-10 6.228E-10 1.3929999999E-9 3.1139999999E-9 6.9629999999E-9 1.557E-8 3.482E-8 7.785E-8 1.741E-7 3.8929999999E-7 8.704E-7 0.0000019459999999 0.000004352 0.000009732 0.00002176 4860-03-1 20993 144209947 Fns 1-Chlorohexadecane CCCCCCCCCCCCCCCCCl Tox21_202749 -NCGC00260646-01 196703009 tox21-ror-cho-viability-p1 set1 4 -1.51304785 0.66505813 2.55435577 -0.65251801 -10.72080465 0.84312887 2.04422349 -0.34681337 2.52755519 -1.00229491 5.42470201 0.85098315 -0.33911814 -1.38061354 -0.2225981 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49542 144210299 M M NTP Mix87 ER AR1 18-EQC Tox21_203101 -NCGC00357176-01 196703407 tox21-ror-cho-viability-p1 set1 4 5.83388113 -1.41766215 -0.31694495 2.93639763 5.32437508 5.57902625 0.16902071 -0.1817983 5.53065086 0.22171357 -0.18643165 4.57822021 5.95351344 -0.00700643 -2.44898813 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-02-7 66726 251919972 A 2,5-Dimethoxybenzaldehyde COc1ccc(cc1C=O)OC Tox21_303938 -NCGC00090986-03 196726277 tox21-ror-cho-viability-p1 set3 -2.2 30.8248964822 -34.797169944 1.5 -33.297169944 1.55794881 0.9051285079 0.0002475597 3.21300558 -1.93539972 -1.64240235 3.52109464 3.47971426 2.65170906 0.1196631 3.76771046 3.07632052 -1.68233579 0.99077891 -2.06055212 -13.72173405 -13.75269307 -32.74764162 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00022472-10 196726256 tox21-ror-cho-viability-p1 set3 4 0.53946163 3.93515905 0.58619294 -0.53496753 3.42230922 5.09985357 2.80379542 8.49964185 9.16346633 11.12104198 7.1367637 0.87575578 2.48192072 0.0752916 0.95485564 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-22-6 5753 170466845 A Corticosterone OCC(=O)[C@H]4CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_110879_1 -NCGC00095164-04 196726258 tox21-ror-cho-viability-p1 set3 4 6.6824247267 -5.6582876679 5.5 -0.1582876679 3.0654483358 0.3230619847 0.3479107615 7.39888498 1.26102877 1.25330761 6.8199119 0.96485694 6.82800614 9.41931192 4.2524606 12.42249527 4.76901851 6.62574698 4.36522968 1.35993945 -0.13190639 0.41134997 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14222-60-7 666418 170465795 A Protionamide CCCc1cc(ccn1)C(N)=S Tox21_111463_1 -NCGC00018139-07 196726268 tox21-ror-cho-viability-p1 set3 4 18.8336317891 -15.917901768 2 -13.917901768 0.4 0.4370292048 0.2373216982 2.84980993 6.96824293 -0.46178922 0.91436261 -3.54894925 0.26874873 0.0880503 0 4.71280465 -9.48399518 1.59394825 -2.6100962 -4.93795552 -3.8198815 -10.76491814 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35212-22-7 3747 170466811 A Ipriflavone CC(C)Oc1ccc2c(c1)OC=C(C2=O)c3ccccc3 Tox21_111532_1 -NCGC00091839-03 196726671 tox21-ror-cho-viability-p1 set3 4 0.0019331182 15.709684684 -16.709684684 -1 1.826479391 0.6717406187 0.0525872072 -12.25807057 -6.10875752 -2.48162344 -3.14636845 0.30309173 -0.23011448 -4.55977351 -4.19246065 -2.61945587 -0.5172221 0.92291295 2.42374167 2.5107115 -2.07244678 -2.84526858 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00257292-01 196726672 tox21-ror-cho-viability-p1 set3 4 0 -9.74571462 0 -4.53478484 0 0 -0.44037303 -5.05707656 -2.373808 -1.18288423 -2.19188041 0 -15.92458626 -3.65814137 -14.55776749 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1083-27-8 14127 144213733 A A Hexylparaben Oc1ccc(cc1)C(=O)OCCCCCC Tox21_303422 -NCGC00182995-01 196713637 tox21-ror-cho-viability-p1 set2 4 0.19079006 -1.39116674 2.31252802 2.15160186 -0.20797797 -0.70487127 0.98902598 -1.36472805 2.54942552 0.96217779 0.08728152 0.93025174 0.52009995 1.32256383 -0.10566536 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21590-92-1 3309 144206828 A A Etomidoline O=C4c1ccccc1C(Nc3ccc(OCCN2CCCCC2)cc3)N4CC Tox21_113277 -NCGC00016497-09 196713636 tox21-ror-cho-viability-p1 set2 4 -0.91353539 -0.12044239 -0.81037505 -0.51325368 -0.08074086 1.24368397 0.99781572 -4.08096346 -0.07389988 0.53324017 1.13961268 0.61068653 -0.06511433 0.03888498 4.32148042 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 536-33-4 2761171 170465169 A Ethionamide CCc1cc(ccn1)C(N)=S Tox21_110458_1 -NCGC00094574-15 196713640 tox21-ror-cho-viability-p1 set2 4 -4.08141407 -3.79935192 -3.80087167 -2.7093947 -4.87199065 -2.33714423 -3.09508877 -1.76370342 -2.44270164 -0.16076456 -0.79938938 -1.57651001 -1.64726454 -5.48130748 -4.84448662 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 120068-37-3 3352 170465992 A Fipronil FC(F)(F)S(=O)c1c(N)n(nc1C#N)c2c(Cl)cc(cc2Cl)C(F)(F)F Tox21_111300_1 -NCGC00258444-01 196711575 tox21-ror-cho-viability-p1 set2 -2.4 75.6302711964 -56.1249111908 -4.838354413 -60.9632656038 4.9549173135 0.8081525775 0.5023699816 -3.33743433 -5.10787843 -9.1881553 -14.6913665 -7.2708838 -4.71047218 -33.23005727 -41.40546314 -10.75920846 -12.71223585 0 -11.46458071 -13.59431151 -3.4180473 -48.38354413 1.163E-9 2.602E-9 5.817E-9 1.301E-8 2.909E-8 6.5039999999E-8 1.454E-7 3.252E-7 7.2719999999E-7 0.0000016259999999 0.000003636 0.00000813 0.00001818 0.00004065 0.000090889999999 793-24-8 13101 144208088 A B N-(1,3-Dimethylbutyl)-N'-phenyl-p-phenylenediamine CC(C)CC(C)Nc1ccc(cc1)Nc2ccccc2 Tox21_200890 -NCGC00255211-01 196711161 tox21-ror-cho-viability-p1 set2 4 0.0006519153 15.150886036 -14.150886036 1 4.9549173134 0.7162623126 0.0317826163 -10.54240503 2.87119393 0.76970319 1.70400387 -0.06801489 2.7737416 -0.48580455 -3.69855448 1.25636461 -0.38427307 0.09937675 0.77162834 1.97024824 1.73369237 3.65559563 5.2499999999E-10 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 6683-19-8 64819 144212287 A Irganox 1010 CC(C)(C)c1cc(cc(c1O)C(C)(C)C)CCC(=O)OCC(COC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)(COC(=O)CCc3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)COC(=O)CCc4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C Tox21_301970 -NCGC00256032-01 196711164 tox21-ror-cho-viability-p1 set2 4 0.0007695882 13.380381196 -14.380381196 -1 0.7 0.3710905654 0.3201187471 -10.31698433 -1.80769811 -1.16827525 -0.89966778 -4.29445756 -3.32292735 -4.20969971 -4.0397578 -1.79016878 -1.72643787 0.27765855 1.95036301 -1.85459462 0.10828669 -3.99378247 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15362-40-0 27211 144212073 A A 1-(2,6-Dichlorophenyl)-2-indolinone Clc1cccc(Cl)c1N2c3ccccc3CC2=O Tox21_301756 -NCGC00356975-01 196711570 tox21-ror-cho-viability-p1 set2 2.4 38.5707788719 21.065524968 1.934475032 23 1.0999999999 0.8549597532 0.0019487114 -0.05460414 0.94548992 0.91055939 4.45525483 1.05772361 3.05622289 2.50559837 1.00241316 5.03494906 1.98731975 5.91243266 7.31002221 5.33214135 11.1389186 19.58338881 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 591-12-8 11559 251919822 F alpha-Angelica lactone CC1=CCC(=O)O1 Tox21_303997 -NCGC00260495-01 196711583 tox21-ror-cho-viability-p1 set2 -2.4 69.0781761974 -37.2955084959 5.5 -31.7955084959 4.5044702849 0.9039862299 0.0002634899 3.20487166 5.32114397 4.59833252 6.19228793 7.65747627 7.34982261 9.53141495 9.13997393 5.95588 4.41675606 2.92102468 1.78789201 1.06486705 2.51659368 -23.99625708 1.187E-9 2.6549999999E-9 5.937E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 90-44-8 7018 144210147 F I Anthrone O=C1c3ccccc3Cc2ccccc12 Tox21_202949 -NCGC00260574-01 196711588 tox21-ror-cho-viability-p1 set2 -3 13.3331902297 -27.168182434 -3.5 -30.668182434 3.9899729863 0.6937893516 0.0500404926 -5.87182973 -4.24349047 -13.98834559 -8.39422864 -4.68912407 -4.01179139 0 0 -1.56516066 -4.73401989 0 0 0 -34.07575826 -4.2358161 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49470 144210227 M M NTP Mix52 CT1 3-EQP Tox21_203029 -NCGC00356958-01 196711591 tox21-ror-cho-viability-p1 set2 4 -0.17037909 1.32504989 0.59910122 0.92687547 -2.65635377 -2.1196899 1.88229622 -1.70154167 -2.76132514 1.3904086 -2.26062302 -0.36917761 0.51933101 -3.61747981 -7.27616386 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17420-30-3 28532 251919744 A 2-Amino-5-nitrobenzonitrile N#Cc1cc(ccc1N)[N+]([O-])=O Tox21_304032 -NCGC00260231-01 196711993 tox21-ror-cho-viability-p1 set2 2.4 62.0019276794 20.639433672 0.360566328 21 2.7867712143 0.9312246264 0.0000476252 -0.61466091 -2.19952806 -1.35875867 -0.35695664 0.07103356 1.11860945 0.21580052 1.03019384 1.49446369 0.67793861 1.11954839 2.382453 2.05430037 5.63295504 16.55366439 1.194E-9 2.6689999999E-9 5.969E-9 1.335E-8 2.985E-8 6.6739999999E-8 1.4919999999E-7 3.337E-7 7.4609999999E-7 0.000001668 0.0000037309999999 0.000008342 0.00001865 0.00004171 0.000093269999999 65350-59-6 13487610 144209881 FNS 1-Butyl-4-methylpyridinium bromide [Br-].Cc1cc[n+](CCCC)cc1 Tox21_202683 -NCGC00258766-01 196701831 tox21-ror-cho-viability-p1 set1 4 11.0700142951 8.534790832 -2.534790832 6 2.2526478767 0.5890501082 0.1058039824 -5.00869645 -2.48428839 -7.52899236 -3.80282435 -0.36326424 0.32484866 2.98873431 -5.31013951 0.48863571 -1.93164717 -2.52533204 -0.15993905 4.60858206 6.21833734 5.14641175 1.198E-9 2.68E-9 5.992E-9 1.34E-8 2.996E-8 6.7E-8 1.4979999999E-7 3.35E-7 7.491E-7 0.000001675 0.000003745 0.000008375 0.00001873 0.00004187 0.00009363 78-83-1 6560 144208412 A Ac 2-Methyl-1-propanol CC(C)CO Tox21_201214 -NCGC00258300-01 196701839 tox21-ror-cho-viability-p1 set1 4 62.251265086 -10.086146384 2 -8.086146384 2.3531167061 0.5886296107 0.1081453605 4.62534458 -0.52443534 1.37556662 2.4773855 1.52254366 0.46644468 -0.06843742 4.4774335 1.31845564 4.35733257 0.03243981 2.80339501 0.76587172 -0.62617646 -5.48845532 1.198E-9 2.6779999999E-9 5.989E-9 1.339E-8 2.994E-8 6.696E-8 1.497E-7 3.3479999999E-7 7.486E-7 0.0000016739999999 0.0000037429999999 0.00000837 0.000018719999999 0.00004185 0.00009358 104-38-1 66912 144207944 A A 2,2'-[1,4-Phenylenebis(oxy)]diethanol OCCOc1ccc(OCCO)cc1 Tox21_200746 -NCGC00254487-01 196699768 tox21-ror-cho-viability-p1 set1 4 -2.39540624 0.57002917 -2.68576907 -3.0657597 -1.72111063 -3.72852769 -2.25484735 0.24505879 -2.84326525 -3.46802582 -2.57925034 -3.63632187 -0.73871623 0.04676253 1.01349406 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84-69-5 6782 144210929 A A Diisobutyl phthalate CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C Tox21_300612 -NCGC00254160-01 196699350 tox21-ror-cho-viability-p1 set1 4 -0.85434105 2.70995411 1.22227346 1.32700177 2.53220826 -0.61164427 0.02809673 3.17982429 0.35356182 -0.49336427 -1.63999884 2.26359236 2.24919283 -1.57185213 -0.41175967 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-42-2 6537 144210640 A Fc Tris(2-ethylhexyl) phosphate CCCCC(COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC)CC Tox21_300321 -NCGC00254498-01 196699351 tox21-ror-cho-viability-p1 set1 4 2.09518015 -0.49496183 3.60145505 -0.28605835 0.18162983 -0.15538197 -2.19836053 2.6829165 -0.54780019 3.66955363 0.15196286 0.91695231 5.79336592 1.51836727 4.74202418 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 206-44-0 9154 144210798 A A Fluoranthene c1cccc4c1c2cccc3cccc4c23 Tox21_300480 -NCGC00254492-01 196699359 tox21-ror-cho-viability-p1 set1 4 1.33864563 -4.26889131 -0.03170698 -2.33020698 -0.52304615 -3.63686909 -0.61142079 0.30114113 -6.34615342 2.9742571 -5.45116239 2.4119865 -4.6350176 -3.49830159 -2.17071568 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112529-15-4 60560 144210901 A A Pioglitazone hydrochloride Cl.CCc1ccc(nc1)CCOc3ccc(CC2SC(=O)NC2=O)cc3 Tox21_300584 -NCGC00255058-01 196699769 tox21-ror-cho-viability-p1 set1 4 -1.76914952 -1.18044348 0.11884281 -2.20474752 0.75896757 -6.99153072 0.68199178 -1.57553271 -1.92030756 0.60188638 -1.48508663 2.51832418 -0.71859216 2.41472121 1.8818002 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-17-6 7328 144211477 A F Dichlofenthion Clc1cc(Cl)ccc1OP(=S)(OCC)OCC Tox21_301160 -NCGC00254126-01 196699772 tox21-ror-cho-viability-p1 set1 4 1.16222389 1.70649713 1.22553508 2.52584919 0.82535416 0.73304299 2.65361687 -0.21487598 1.71897988 0.14192049 0.39270992 0.70557484 0.69151302 0.21703735 2.05122149 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6422-86-2 22932 144210641 A Bis(2-ethylhexyl) terephthalate CCC(CCCC)COC(=O)c1ccc(cc1)C(=O)OCC(CC)CCCC Tox21_300322 -NCGC00254721-01 196699783 tox21-ror-cho-viability-p1 set1 4 61.130564862 16.9127688159 -0.9127688159 16 3.2974983358 0.8973778761 0.0003752607 -1.74265604 -1.01293061 -0.7331148 -0.80604424 -2.84183035 1.23853043 -0.25554627 -1.87430405 -1.28227777 -3.26064068 0.20242659 0.38693298 0.09635768 2.44405145 12.37345728 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2212-67-1 16653 144211134 A A Molinate O=C(SCC)N1CCCCCC1 Tox21_300817 -NCGC00255847-01 196700178 tox21-ror-cho-viability-p1 set1 4 1.52346811 2.06401009 -1.21818959 2.38759955 1.26412455 2.28187407 1.56190431 -0.75756522 1.32339454 0.84400275 0.09512685 2.16916254 -0.78044327 3.82885259 0.03573841 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2173-56-0 62433 144212529 A C Pentyl valerate O=C(CCCC)OCCCCC Tox21_302212 -NCGC00255772-01 196700188 tox21-ror-cho-viability-p1 set1 -1.2 27.3060203028 -39.1953972807 -4.130948126 -43.3263454067 2.3331733767 0.8744585717 0.0009792345 -4.07896752 -5.21867221 -0.78901125 -0.30607274 -2.54261296 -5.5659523 -1.97810938 1.98812564 -14.32192675 -9.58545302 -4.37031211 -8.40856571 -9.3189144 -37.20460787 -39.32135562 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 638-07-3 69484 144212380 F F Ethyl 4-chloro-3-oxobutanoate O=C(CCl)CC(=O)OCC Tox21_302063 -NCGC00255244-01 196700191 tox21-ror-cho-viability-p1 set1 4 2.6744307 0.00633101 -1.19074196 1.7971831 -1.18310508 -2.37896797 -9.84523321 -1.49483066 0.05117737 -0.11024659 -0.69687015 -1.39070147 -11.74660473 2.51701191 -11.77719324 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81-15-2 62329 144212565 A F 2,4,6-Trinitro-1,3-dimethyl-5-tert-butylbenzene O=[N+]([O-])c1c(C)c(c(C)c(c1C(C)(C)C)[N+]([O-])=O)[N+]([O-])=O Tox21_302248 -NCGC00163774-04 196700192 tox21-ror-cho-viability-p1 set1 4 -2.12599972 -0.79562308 3.34672632 1.44788307 -4.30610079 0.74484229 -0.19607889 -3.11630652 -5.92313448 5.93778707 -6.57226601 -12.88363492 1.22712199 -9.70163831 -4.22100989 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00257993-01 196730070 tox21-ror-cho-viability-p1 set3 4 69.4274967035 -15.2847322359 0.5 -14.7847322359 4.9549173134 0.8375907813 0.0033053904 0.94935691 0.51420196 0.2813816 0.59265454 -3.36699017 0.93051217 0.24533114 0.84113226 3.22449879 -0.22825613 0.36403789 -0.26207441 -0.62943088 0.53435781 -11.90394353 1.1919999999E-9 2.6659999999E-9 5.962E-9 1.333E-8 2.981E-8 6.6659999999E-8 1.491E-7 3.3329999999E-7 7.4529999999E-7 0.0000016659999999 0.000003726 0.000008332 0.00001863 0.00004166 0.00009316 115-27-5 8265 144207637 A A Chlorendic anhydride ClC2=C(Cl)C3(Cl)C1C(C(=O)OC1=O)C2(Cl)C3(Cl)Cl Tox21_200439 -NCGC00254199-01 196699317 tox21-ror-cho-viability-p1 set1 4 -2.20362815 0.66102134 -1.54000588 0.68014885 0.20171813 1.00070185 1.32877537 -0.51556325 1.87267868 0.30576179 1.37225206 2.51287139 3.1773945 0.27993237 3.2618299 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58-14-0 4993 144210449 A A Pyrimethamine CCc1nc(N)nc(N)c1c2ccc(Cl)cc2 Tox21_300129 -NCGC00253949-01 196699298 tox21-ror-cho-viability-p1 set1 -2.1 54.4826732819 -95.6962002791 -2.845278526 -98.5414788051 2.3331733767 0.9651052218 0.0000011402 0.68935447 -5.14485337 0.31255818 -0.45490751 0.3431106 -10.70106002 0.11881933 -5.38830603 1.14863465 -0.1873914 -10.65189159 -5.20567555 -11.57208159 -34.62500631 -77.30415061 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 155990-20-8 9909677 144210553 A A SR271425 CCN(CC)CCNc1ccc(CNC=O)c2Sc3ccc(OC)cc3C(=O)c12 Tox21_300233 -NCGC00254233-01 196699307 tox21-ror-cho-viability-p1 set1 4 -1.01981424 0.84078055 -4.18847962 -1.53274846 -3.03527946 -2.14892716 2.43203593 -1.74143701 0.03438079 -0.53305285 0.5206216 -5.25977705 0.22010213 -5.46503303 0.32182893 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23779-32-0 90258 144210735 Fns Fns 1-[3-(Triethoxysilyl)propyl]urea CCO[Si](OCC)(OCC)CCCNC(N)=O Tox21_300417 -NCGC00254200-01 196699309 tox21-ror-cho-viability-p1 set1 4 5.01427141 -0.52326319 3.07199124 -1.1221171 0.30497667 0.30882145 -0.98236699 -0.21976033 -0.54281711 3.15017738 -0.23093868 0.67851546 5.18259558 2.00998254 2.69443715 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-12-0 6917 144210393 C D N-Vinyl-2-pyrrolidone O=C1CCCN1C=C Tox21_300073 -NCGC00254180-01 196699713 tox21-ror-cho-viability-p1 set1 4 68.5896218971 14.18246428 0.81753572 15 4.4494702849 0.6665424245 0.0554892178 0.62484803 -0.94127443 0.11836702 -2.2353869 0.45468557 0.68238608 1.22890396 -1.22390421 6.98967475 -0.59767186 0.18159455 1.23094653 2.02490083 1.59300949 11.97774047 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51-52-5 657298 144210600 A A 6-Propyl-2-thiouracil S=C1NC(CCC)=CC(=O)N1 Tox21_300280 -NCGC00090750-04 196699718 tox21-ror-cho-viability-p1 set1 4 -1.55127976 -1.4304144 -2.08357351 -3.45285105 -2.53218544 -5.4589702 -7.18331407 -1.78825044 -3.65887279 -1.03701039 -1.80169253 -1.10231368 1.49645229 -3.34600517 -3.37316422 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00015675-08 196699723 tox21-ror-cho-viability-p1 set1 4 43.2771256911 9.246324384 -1.246324384 8 3.9294729863 0.6253046857 0.0811090633 -0.37973175 -0.05701597 0.25469242 -2.06946703 -2.36462293 -1.00262416 -0.1679728 0.19520177 -2.27772106 -4.30360926 1.78059423 -0.47465003 -5.20527032 3.28975031 7.31353319 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00254106-01 196699725 tox21-ror-cho-viability-p1 set1 4 -1.48742336 0.21194705 3.5867175 1.60527585 0.27998139 1.19937794 -0.39570503 0.243296 3.71430785 0.39328544 0.79958771 1.42160284 2.03283043 2.58555862 0.45540157 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2687-25-4 17593 144210412 C Cc 2,3-Diaminotoluene Cc1cccc(N)c1N Tox21_300092 -NCGC00091163-03 196705487 tox21-ror-cho-viability-p1 set1 4 0.0794192 5.31284189 0.05453975 0.80538479 -0.4341331 0.10403538 0.06360879 1.17933349 -0.11954181 -5.50788938 -0.21863451 3.80523564 1.09058882 -0.48303993 0.27779405 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00015409-11 196705072 tox21-ror-cho-viability-p1 set1 4 -0.32231455 -0.72002946 -0.75014752 4.05134896 -2.25188225 0.24154771 4.42970599 -2.95686186 3.07151548 4.94043583 -4.97392383 -0.67706274 0.76871726 0.77897289 2.91836612 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 116-38-1 8307 170464801 Z Edrophonium chloride [Cl-].C[N+](C)(CC)c1cccc(O)c1 Tox21_110138_1 -NCGC00179542-03 196705077 tox21-ror-cho-viability-p1 set1 4 0.0237101377 -5.1346081719 4.5 -0.6346081719 4.9549173134 0.3531382698 0.3342771202 0.2572505 1.20077092 6.1400908 7.28186659 6.87820232 -2.40509554 0.67509877 0.90584891 0.74953237 -0.19067195 0.16490229 -9.69550681 0.54516544 1.57742728 6.79165165 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 138890-62-7 68844 170464926 A Brinzolamide NS(=O)(=O)c1cc2[C@H](CN(CCCOC)S(=O)(=O)c2s1)NCC Tox21_110722_1 -NCGC00091655-05 196705088 tox21-ror-cho-viability-p1 set1 4 23.7101376556 -22.171947436 1 -21.171947436 1.92824246 0.9171062055 0.0001257033 -0.21977366 0.84291945 3.5033276 -2.63659587 2.98895533 2.51360531 0.10783686 0.06703363 0.25587972 1.25445222 0.31356736 0.09089021 -2.04958494 -8.40600284 -16.39328953 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80-46-6 6643 170466884 F 4-(2-Methylbutan-2-yl)phenol Oc1ccc(cc1)C(C)(C)CC Tox21_111159_1 -NCGC00066947-05 196705492 tox21-ror-cho-viability-p1 set1 4 43.2771256911 -8.0959472959 2 -6.0959472959 2.4063783767 0.4114487317 0.2641394456 2.5820853 1.66936684 -0.55882337 -1.1191344 1.49154157 2.015909 -0.56166816 4.2044414 0.16562209 2.90186092 8.63724925 0.37269764 1.93661694 -2.2240221 -5.07995608 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00256489-01 196727507 tox21-ror-cho-viability-p1 set3 4 0.1535530364 3.597995776 -1.597995776 2 4.9549173134 0.3335620298 0.3396609669 -2.45585044 -2.58804728 0.66776527 2.06107356 -4.66499648 -2.33447474 -0.31264011 4.43750152 3.94942245 1.82017634 6.02489795 -2.51517955 0.41102522 0.84848481 0.31339353 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-94-1 7967 144213067 Ac Cyclohexanone O=C1CCCCC1 Tox21_302750 -NCGC00256578-01 196727105 tox21-ror-cho-viability-p1 set3 4 5.4482673282 9.499817436 -3.499817436 6 4.9549173134 0.6486764865 0.0651195821 2.87329453 1.08522113 -2.07240727 -9.16651453 -6.01271202 -7.24067112 -3.13612445 -3.62616315 -3.7144788 -4.76865154 -3.6980493 5.81679909 4.41979901 3.68149409 9.870582 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-64-1 7517 144213332 A A Cyclohexanone oxime O\N=C1/CCCCC1 Tox21_303015 -NCGC00244579-01 196727111 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -28.7389066399 -3 -31.7389066399 4.9549173134 0.5612530698 0.126327509 -4.71483243 -5.0685287 -2.63305082 -2.73103816 -1.90886518 -1.03173799 -2.22644206 -9.96033699 -5.63250513 -15.41050535 -0.65329916 2.96956827 0.48626852 2.50264879 -24.7824222 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00257359-01 196727506 tox21-ror-cho-viability-p1 set3 4 -0.00436475 -4.8333022 0.48130041 -5.12234095 -5.0166977 0.72391799 0.86369175 2.04870715 1.1201761 -0.50298309 3.83221138 0.79584482 -5.36322022 -0.42190792 3.33437209 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 79917-90-1 2734161 144213916 A 1-Butyl-3-methylimidazolium chloride [Cl-].CCCCn1cc[n+](C)c1 Tox21_303611 -NCGC00091532-04 196727518 tox21-ror-cho-viability-p1 set3 -2.4 61.8773215692 -50.2662165224 -4.201283014 -54.4674995364 3.9294729863 0.6671972081 0.0541876786 -0.40806075 -1.14013423 -2.65914417 1.02435086 -0.92812868 -1.54246984 0.21832218 -0.01896242 -21.14648229 -23.75993481 -2.44553862 -1.16279635 1.20411837 -13.63191969 -45.80871177 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00257456-01 196727520 tox21-ror-cho-viability-p1 set3 4 2.30293581 2.7398803 1.68728042 0.55126084 1.08581769 2.63197976 0.35914391 2.50343907 3.73830804 0.69102694 1.95159995 -0.75056937 2.76830601 1.25885522 -2.09575297 1.026E-9 2.295E-9 5.132E-9 1.148E-8 2.5659999999E-8 5.7379999999E-8 1.283E-7 2.8689999999E-7 6.4149999999E-7 0.000001434 0.0000032069999999 0.0000071719999999 0.00001604 0.00003586 0.000080189999999 521-18-6 10635 144213957 A F 5alpha-Dihydrotestosterone O=C3C[C@@H]4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)CC[C@@H]12)[C@@]4(C)CC3 Tox21_303655 -NCGC00257246-01 196727527 tox21-ror-cho-viability-p1 set3 -2.4 25.1540087122 -26.9355420279 -1 -27.9355420279 4.9549173134 0.9266561329 0.000066214 1.17619324 0.50214165 -1.18591524 1.76399416 -1.77870066 -2.36749504 -1.24790625 -4.01464673 1.1178648 -1.23359216 -3.38197176 -2.44252199 -0.51337307 -3.22636929 -24.11295169 4.647E-10 1.039E-9 2.324E-9 5.196E-9 1.1619999999E-8 2.598E-8 5.809E-8 1.299E-7 2.9049999999E-7 6.495E-7 0.0000014519999999 0.0000032469999999 0.0000072619999999 0.000016239999999 0.00003631 17924-92-4 5281576 144213818 A A Zearalenone Oc1cc(O)cc2C=CCCCC(=O)CCC[C@H](C)OC(=O)c12 Tox21_303510 -NCGC00258328-01 196715287 tox21-ror-cho-viability-p1 set2 4 3.30073191 5.96597435 3.43849997 0.92835949 2.41944319 4.29265722 -1.68262722 3.52519605 6.27759127 1.32030491 2.06813534 4.19327934 3.74538387 2.26571765 5.26258435 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.9669999999E-8 6.635E-8 1.484E-7 3.318E-7 7.4189999999E-7 0.000001659 0.000003709 0.000008294 0.00001855 0.000041469999999 0.00009273 540-59-0 10900 144207972 FNS 1,2-Dichloroethylene ClC=CCl Tox21_200774 -NCGC00254508-01 196714882 tox21-ror-cho-viability-p1 set2 4 -0.68717684 0.13943874 -1.35088072 -0.36508758 -1.59520346 1.45841943 -2.60665685 -0.0063228 2.31807721 -0.37389018 -4.48297504 -3.53240079 -2.24993794 2.46773166 -3.84683598 1.173E-9 2.622E-9 5.863E-9 1.311E-8 2.9319999999E-8 6.5549999999E-8 1.466E-7 3.2779999999E-7 7.329E-7 0.0000016389999999 0.000003665 0.000008194 0.00001832 0.000040969999999 0.00009161 7747-35-5 82190 144210864 A Ac 5-Ethyl-1-aza-3,7-dioxabicyclo[3.3.0]octane CCC12COCN2COC1 Tox21_300546 -NCGC00255049-01 196714892 tox21-ror-cho-viability-p1 set2 4 1.68949455 1.83862349 3.43244814 3.49578672 1.46314918 4.40198432 3.73359195 0.88963313 3.59286527 2.00577662 1.9889516 5.14843961 6.65526743 2.27638176 2.61915205 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-47-1 7020 144211468 A A Xanthone O=C1c3ccccc3Oc2ccccc12 Tox21_301151 -NCGC00258541-01 196715286 tox21-ror-cho-viability-p1 set2 4 1.21179758 1.37594956 -9.9352995 -1.3722109 -2.64262287 -1.47741646 0.34333749 0.38005461 0.52621573 -3.48577075 -0.33688861 1.71370294 -0.94469246 -2.30377206 -0.61559115 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.000003681 0.00000823 0.000018399999999 0.00004115 0.00009201 4196-86-5 20167 144208186 A A 2,2-Bis[(benzoyloxy)methyl]dibenzoate propanediol O=C(OCC(COC(=O)c1ccccc1)(COC(=O)c2ccccc2)COC(=O)c3ccccc3)c4ccccc4 Tox21_200988 -NCGC00260564-01 196712423 tox21-ror-cho-viability-p1 set2 -2.2 10.5909294584 -46.276214714 -4 -50.276214714 1.0999999999 0.710906656 0.0414544761 -4.24812839 0 -13.44604883 -2.73270817 -3.66241421 -2.24346672 -9.65554726 -5.46391578 -4.00233235 -11.23336678 -15.74020739 0 -30.54015404 -38.08804145 5.19101418 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49460 144210217 M M NTP Mix72 CT1 62-EQP Tox21_203019 -NCGC00015675-08 196712402 tox21-ror-cho-viability-p1 set2 4 68.5896218971 19.183935156 -0.183935156 19 4.9549173134 0.9076092454 0.0002201874 -0.89200484 -3.48661263 1.79369113 1.66804133 0.35683239 -0.86740813 -0.39569247 -0.28293038 0.24886108 0.75260939 0.79106862 -0.95062194 -0.2410532 0.36050803 15.44830643 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00260388-01 196712411 tox21-ror-cho-viability-p1 set2 4 -0.08881473 -2.43982228 -6.48768977 -4.63305511 -3.77508691 -34.15601111 -7.74433069 -2.92226315 -1.81404742 -5.19221181 -1.16944382 -0.83553684 -5.28302901 7.31602409 6.34320328 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004132 0.0000924 534-85-0 68297 144210040 A B 1,2-Benzenediamine,N-phenyl- Nc2ccccc2Nc1ccccc1 Tox21_202842 -NCGC00356957-01 196712422 tox21-ror-cho-viability-p1 set2 4 0.0054482673 5.64973516 -0.64973516 5 4.9549173134 0.3507227771 0.3219160119 1.13305993 -2.6247793 2.57692377 4.65729553 2.99485648 5.46779274 7.01989393 4.83565858 7.11237238 5.44715645 2.18300737 5.0006026 1.00495018 1.61262339 12.23033124 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135590-91-9 10937610 251919735 A Mefenpyr-diethyl O=C(OCC)C2(C)CC(=NN2c1ccc(Cl)cc1Cl)C(=O)OCC Tox21_304023 -NCGC00181330-02 196712821 tox21-ror-cho-viability-p1 set2 -1.1 4.2163249602 -78.345058156 0.8913685419 -77.4536896141 3.1319983358 0.9940423249 0 -1.85080746 -0.80949823 3.2534756 0.61409105 -0.85626973 -1.76795285 3.78665895 2.09371222 -0.74540479 2.04969358 1.53816709 -38.25857831 -69.99166201 -78.38597021 -77.15459045 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 804-36-4 13118 170466778 A Nitrovin O=[N+]([O-])c2ccc(C=C/C(C=Cc1ccc(o1)[N+]([O-])=O)=N\NC(=N)N)o2 Tox21_112791_1 -NCGC00160613-02 196712824 tox21-ror-cho-viability-p1 set2 4 7.73948305 4.12287246 9.22057536 5.26825668 3.71404925 4.6001011 6.1110577 0.33549219 0.81139438 4.05728832 0.21775615 0.14842164 1.22055774 4.18496714 4.42550561 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98-79-3 7405 170466347 A Pidolic acid O=C(O)[C@@H]1CCC(=O)N1 Tox21_111936_1 -NCGC00177995-02 196712828 tox21-ror-cho-viability-p1 set2 1.1 2.3099880175 102.1777883955 -4.5041714967 97.6736168988 1.9673362061 0.9865727425 4.7E-9 -0.04626689 -0.24017091 -2.56797428 -3.93757237 -4.3622557 -5.71661799 -5.20242713 -5.87075123 -4.31233112 -4.28224356 2.96563955 42.69860674 81.49328039 95.75844794 85.16035627 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 91296-87-6 56207 170466185 A Sarafloxacin hydrochloride Cl.Fc1ccc(cc1)N2C=C(C(=O)O)C(=O)c3cc(F)c(cc23)N4CCNCC4 Tox21_111462_1 -NCGC00091367-05 196712839 tox21-ror-cho-viability-p1 set2 -2.2 16.7854920005 -44.460146456 0.5 -43.960146456 1.9673362061 0.9627217853 0.0000016553 -6.85027286 -1.52950439 0.17434604 0.88419842 1.92412937 0.22029812 1.06341334 0.26490981 1.91930848 0.53653706 0.85670585 0.26961099 -8.93187472 -27.46366442 -37.8485958 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 117-10-2 2950 170465532 Ac Danthron Oc3cccc2C(=O)c1cccc(O)c1C(=O)c23 Tox21_111122_1 -NCGC00091455-09 196712840 tox21-ror-cho-viability-p1 set2 4 -4.57147969 -0.60320925 -1.00261181 -1.13853982 0.34030586 -3.96136492 -3.37357415 -3.9367312 -0.77765557 0.56829971 -0.6841933 0.57779977 -4.27455032 -6.20413161 -8.58474802 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 169590-42-5 2662 170464693 A Celecoxib NS(=O)(=O)c1ccc(cc1)n3nc(cc3c2ccc(C)cc2)C(F)(F)F Tox21_111135_1 -NCGC00257312-01 196726632 tox21-ror-cho-viability-p1 set3 4 0.0021689943 -10.1812073239 8 -2.1812073239 1.8579476909 0.3499109385 0.3220138924 5.76853097 1.73964215 -0.91707196 -0.63226293 -3.45486781 -0.12865308 -11.81767277 0 0 0 0 -1.28403986 -0.90997998 -3.38910395 -5.22226308 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 460081-99-6 10160166 144213721 B B PharmaGSID_48510 O=C(O)c1cc(ccc1)N(Cc2cccnc2)c3ccc(OC(F)F)c(OC(F)F)c3 Tox21_303410 -NCGC00260214-01 196724461 tox21-ror-cho-viability-p1 set3 4 -3.47439796 5.86628818 0.8404083 5.81058733 -2.3762644 3.8798724 -2.33950633 1.25022277 -3.59493287 1.55997975 -0.11836472 -0.10024081 -4.83368373 -1.31954275 5.21031717 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004128 0.00009231 NOCAS_49385 57369982 144209864 A A 1-Butyl-1-methylpiperidinium hexafluorophosphate F[P-](F)(F)(F)(F)F.C[N+]1(CCCC)CCCCC1 Tox21_202666 -NCGC00260382-01 196724462 tox21-ror-cho-viability-p1 set3 -2.2 61.4415298105 -44.7450667896 -2.5 -47.2450667896 3.1319983358 0.9117963659 0.0001710622 -7.83614995 -4.35244675 -1.58391557 -5.711975 -3.74322631 -0.10325672 -0.01102325 0.1015409 1.68354265 1.8196945 -2.08977663 -6.3047709 -2.03985835 -13.10122715 -37.30686878 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.961E-8 6.622E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001655 0.000003702 0.0000082769999999 0.00001851 0.00004139 0.00009254 494-19-9 10308 144210034 A A 10,11-Dihydro-5H-dibenz[b,f]azepine c1cc2Nc3ccccc3CCc2cc1 Tox21_202836 -NCGC00256837-01 196727044 tox21-ror-cho-viability-p1 set3 -2.2 54.4826732819 -45.8380924552 1 -44.8380924552 1.752947691 0.9624180161 0.0000017345 1.35196003 -0.36420066 0.16138226 0.1710312 2.08014318 -0.08173789 2.75069517 2.98610109 0.06700693 0.06932039 5.46895216 -2.74457937 -6.36054002 -15.09927051 -33.96825186 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 16491-24-0 86015 144212875 F F 2,4-Hexadienyl isobutyrate O=C(OCC=CC=CC)C(C)C Tox21_302558 -NCGC00256786-01 196727036 tox21-ror-cho-viability-p1 set3 4 1.98780073 3.77999495 0.75911317 0.67693624 2.93039598 2.72417581 4.58759356 -0.60890122 4.14166947 -0.81694993 0.16369312 3.40528871 1.37936208 0.23311404 -0.97173492 1.227E-9 2.743E-9 6.134E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 765-70-8 61209 144212946 A A 3-Methyl-1,2-cyclopentanedione O=C1C(=O)CCC1C Tox21_302629 -NCGC00257222-01 196727037 tox21-ror-cho-viability-p1 set3 4 0.0054482673 -8.5470293641 9.5 0.9529706359 2.3331733767 0.8623239368 0.0015649265 8.48425239 9.65262657 4.2232056 1.55737532 1.57548045 0.70075089 2.0101245 1.85529869 -0.04114429 -0.21821296 2.62602481 -0.15939315 0.25213645 -0.87252447 2.56724324 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 623-17-6 12170 144213459 F Ac Furfuryl acetate O=C(C)OCc1ccco1 Tox21_303142 -NCGC00257172-01 196727050 tox21-ror-cho-viability-p1 set3 4 3.46840362 -0.33621683 0.78501415 -1.22307093 -1.94196973 0.85343882 -8.74127629 -0.92787681 1.81928145 -1.59309457 -0.8845028 5.8268613 0.69222956 1.55370813 0.34339615 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 109-09-1 7977 144213624 F 2-Chloropyridine Clc1ccccn1 Tox21_303307 -NCGC00257490-01 196727059 tox21-ror-cho-viability-p1 set3 2.4 62.6355342945 24.3641521279 -0.3641521279 24 3.2474983358 0.6966270065 0.0397884974 3.30758627 -1.20631598 1.01117167 0.40510218 2.23812294 -1.41449602 -0.17701615 -9.88679344 -0.37321402 1.4242002 2.16816468 -0.92453192 1.72875062 3.18259165 17.53689961 1.094E-9 2.447E-9 5.471E-9 1.223E-8 2.7349999999E-8 6.117E-8 1.368E-7 3.058E-7 6.8389999999E-7 0.0000015289999999 0.000003419 0.000007646 0.0000171 0.00003823 0.00008548 181274-17-9 12056760 144213803 A A Flucarbazone-sodium [Na+].COC2=NN(C(=O)[N-]S(=O)(=O)c1ccccc1OC(F)(F)F)C(=O)N2C Tox21_303495 -NCGC00256758-01 196727470 tox21-ror-cho-viability-p1 set3 4 48.9415526227 -9.093187972 1 -8.093187972 4.9549173134 0.6911929602 0.0438480341 0.80606201 0.67591955 -1.17993558 0.0357764 0.23027377 1.16140147 -1.0004248 1.44583436 2.25982224 1.3055473 4.05310187 2.09631846 -0.33787034 0.09242194 -6.74432331 8.9069999999E-10 1.9919999999E-9 4.453E-9 9.9579999999E-9 2.227E-8 4.979E-8 1.113E-7 2.4899999999E-7 5.5669999999E-7 0.000001245 0.000002783 0.000006224 0.000013919999999 0.00003112 0.00006959 137-06-4 8712 144212800 Z Ac 2-Methylbenzenethiol Cc1ccccc1S Tox21_302483 -NCGC00255936-01 196727885 tox21-ror-cho-viability-p1 set3 4 -0.1642625 3.74414771 0.20748891 1.54902323 0.59884933 0.37873163 -1.42847084 2.10494782 -0.8522428 -0.37864074 1.24006885 -2.3852594 2.83577777 -2.59218644 0.68638059 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1694-31-1 15538 144212374 F Bc tert-Butyl 3-oxobutanoate CC(C)(C)OC(=O)CC(C)=O Tox21_302057 -NCGC00256161-01 196728308 tox21-ror-cho-viability-p1 set3 -1.1 30.6378586933 -68.9310636015 0.424957816 -68.5061057855 4.0949729863 0.9930651842 1E-10 4.38989498 0.89193687 -0.15132272 -0.63609733 0.80166591 -0.7479456 0.69375641 -0.83761557 0.40110727 2.19232718 -0.02642664 0.46636361 -10.2085103 -51.54163436 -71.36052686 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-74-3 6610 144212084 A F 2,5-Bis(2-methylbutan-2-yl)benzene-1,4-diol Oc1cc(c(O)cc1C(C)(C)CC)C(C)(C)CC Tox21_301767 -NCGC00255332-01 196728708 tox21-ror-cho-viability-p1 set3 4 28.7843012995 24.3767170001 1.6232829999 26 2.4063783767 0.5337823532 0.1651745342 0.6218846 -2.93559363 4.2882635 4.72661556 -4.1780871 5.87299055 -3.53988266 10.94476372 2.24203302 4.03766602 -5.7305975 5.27484852 7.58350567 19.51373089 4.18820985 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 298-06-6 9274 144211810 F A O,O-Diethyl dithiophosphate CCOP(=S)(S)OCC Tox21_301493 -NCGC00016490-12 196717887 tox21-ror-cho-viability-p1 set2 4 1.84867108 2.61083165 5.90657787 3.85984068 6.83856308 1.1046787 0.97124369 0.65252509 2.46581594 0.11900026 -1.23583328 -0.02972701 -1.12360161 2.34589183 0.13400752 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 530-78-9 3371 170465857 A Flufenamic acid FC(F)(F)c1cc(ccc1)Nc2ccccc2C(=O)O Tox21_110452_1 -NCGC00159391-03 196717489 tox21-ror-cho-viability-p1 set2 4 0.19235083 2.21430582 0.00330962 5.25100852 4.15316424 6.10816444 6.98962712 7.60254809 1.22197426 2.44211151 -0.31522726 0.0479986 2.21852936 1.61120164 4.13243271 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71-67-0 6282 170465816 F Sulfobromophthalein [Na+].[Na+].[O-]S(=O)(=O)c1cc(ccc1O)C3(OC(=O)c2c(Br)c(Br)c(Br)c(Br)c23)c4ccc(O)c(c4)S([O-])(=O)=O Tox21_111628_1 -NCGC00018113-07 196717894 tox21-ror-cho-viability-p1 set2 4 11.8832183006 -8.3204614839 -0.5 -8.8204614839 4.9549173134 0.8117229688 0.0063126369 1.32763937 -2.63002382 -2.43080302 -1.77097508 1.20204542 0.87163543 -0.03550592 -0.51991628 1.76898053 -1.4265077 -0.90974989 0.55502082 -2.20206298 -9.85038457 -7.87774155 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1716-12-7 5258 170465108 Fc Sodium 4-phenylbutyrate [Na+].[O-]C(=O)CCCc1ccccc1 Tox21_110826_1 -NCGC00159504-04 196717900 tox21-ror-cho-viability-p1 set2 4 1.19826465 0.86135427 2.63285537 1.27248668 2.98615533 0.19841349 2.47036616 3.23501801 0.55023967 1.29784169 -0.87088021 3.14247387 -0.77749233 0.47506271 -2.84964674 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 552-22-7 11088 170465466 D Thymol iodide IOc1cc(C)c(cc1C(C)C)c2cc(C(C)C)c(OI)cc2C Tox21_111723_1 -NCGC00161399-03 196717901 tox21-ror-cho-viability-p1 set2 4 -1.25048684 0.73119631 -5.72944038 0.95536097 -4.08734913 -1.57925445 -5.15974499 2.08982536 -2.76998405 0.56394241 -3.7403334 -5.03550484 -3.28876791 -6.99525787 -3.86284331 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 143482-60-4 56846451 170466338 D Pinokalant hydrochloride Cl.COc5ccc(CCN(CCc1ccc(OC)c(OC)c1OC)C(=O)C(C2=NCCc3cc(OC)c(OC)cc23)c4ccccc4)c(OC)c5OC Tox21_111993_1 -NCGC00092334-02 196717903 tox21-ror-cho-viability-p1 set2 4 -3.36960993 -1.80780605 0.6091306 -1.82727368 0.04186944 -2.09700284 0.29100163 -2.0508699 -0.53086653 -3.33767234 -2.48734591 -2.67911562 -7.11162066 -3.13381348 1.39082688 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 91940-87-3 3045335 170466631 A Zatebradine hydrochloride Cl.COc1ccc(cc1OC)CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O Tox21_111195_1 -NCGC00257198-01 196718303 tox21-ror-cho-viability-p1 set2 4 0.0306378587 5.2335002079 -2.2335002079 3 3.9899729863 0.3652001671 0.30685984 1.68504191 1.94594312 -2.62392704 -11.02791684 1.1207634 2.94564432 3.00153778 5.03663139 4.61544223 3.75004744 5.97612162 -0.81232656 1.55279432 1.18294386 3.94435208 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 111-40-0 8111 144213431 F Diethylenetriamine NCCNCCN Tox21_303114 -NCGC00257196-01 196718318 tox21-ror-cho-viability-p1 set2 4 0.91429609 1.16644983 -2.93976675 -3.32725226 1.0122607 -0.49180621 -1.32305597 -0.43968463 -2.85554705 0.29036341 -0.20728299 -0.82722155 -0.59615692 -1.98722508 2.25674063 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-18-5 8168 144213390 Ac Fc N,N-Dimethyldodecan-1-amine CN(C)CCCCCCCCCCCC Tox21_303073 -NCGC00256679-01 196718726 tox21-ror-cho-viability-p1 set2 4 -0.33449161 -0.97350844 -3.30895161 1.94193376 -3.22191985 -0.83746605 -1.04298508 -3.59532566 -1.07582746 -3.48739699 -5.98734407 -3.48288643 -3.93960117 -1.17783764 -5.97438104 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3008-43-3 3321360 144213939 A F 3-Methylcyclohexane-1,2-dione O=C1C(=O)CCCC1C Tox21_303634 -NCGC00256457-01 196719142 tox21-ror-cho-viability-p1 set2 4 -1.10034942 2.48292594 -1.49052003 1.37294575 1.75249166 3.93033898 -1.10434637 -0.5510147 0.10538499 0.48651008 -0.12651599 1.09469134 0.95680276 1.74651986 0.17648972 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1330-78-5 6529 144213203 A A Tricresyl phosphate Cc1ccc(cc1)OP(=O)(Oc2ccc(C)cc2)Oc3ccc(C)cc3 Tox21_302886 -NCGC00091284-03 196719144 tox21-ror-cho-viability-p1 set2 4 43.2771256911 -6.848222064 0 -6.848222064 2.4063783767 0.3176064927 0.3548304361 0.06356864 -3.98395038 0.56997647 6.99620478 1.1106995 0.77454408 0.47158184 -0.49124266 -4.28215575 0.00132932 1.13600707 -0.05069165 -0.21253195 -3.26160177 -5.70685172 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00257499-01 196719146 tox21-ror-cho-viability-p1 set2 4 1.21003433 1.76646926 -0.25093509 -3.6508154 1.65708493 -2.09350218 -3.00152849 -2.18261357 1.6596638 -4.12806529 -2.24890189 -1.07664743 -10.01557157 -1.37830366 -0.74214995 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-16-0 7979 144213679 A Ac Triethylene glycol dimethacrylate O=C(OCCOCCOCCOC(=O)C(=C)C)C(=C)C Tox21_303364 -NCGC00256368-01 196727269 tox21-ror-cho-viability-p1 set3 4 -5.19663286 -5.3402337 -5.20050801 1.85782045 -0.57581656 -22.80780803 -3.10290703 0 -7.25909891 0 0 -4.65852511 -6.34829379 3.08660611 -4.26786959 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135-20-6 2724103 144213269 F Fns Cupferron [NH4+].O=NN([O-])c1ccccc1 Tox21_302952 -NCGC00257346-01 196727256 tox21-ror-cho-viability-p1 set3 4 2.95782584 2.15056679 3.04308979 -0.66160578 2.2451821 2.39283922 0.10500821 0.3756797 2.38105725 7.4087883 6.75303123 -0.70452719 3.01305051 -3.49866295 3.67521025 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 2835-39-4 17816 144213684 Fns Allyl isovalerate CC(C)CC(=O)OCC=C Tox21_303369 -NCGC00258106-01 196715655 tox21-ror-cho-viability-p1 set2 4 -1.8993064 -1.63282332 1.18372334 -0.57560078 -0.1353731 0.30903692 0.91400672 0.17157886 -0.5190609 0.17595072 -0.08965657 0.041722 -1.14366332 -1.64361492 0.56018514 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.00009231 321746-49-0 16211135 144207750 A A Triethylsulfonium bis(trifluoromethanesulfonyl)imide FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.CC[S+](CC)CC Tox21_200552 -NCGC00254603-01 196715238 tox21-ror-cho-viability-p1 set2 -2.4 0.1087072248 -17.790677028 -3.7648002199 -21.5554772479 0.7999999999 0.889313184 0.0005345743 -2.72066685 -4.62826454 -9.48697029 -3.0908177 -8.35659697 -8.57909616 -16.60699715 -17.90797877 -16.07459152 -17.1116554 -21.41576349 -22.14211088 -21.46367228 -25.04623104 -18.28443051 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 83-79-4 6758 144211012 A B Rotenone C=C(C)[C@@H]2Oc3ccc1C(=O)[C@H]4c5cc(OC)c(OC)cc5OC[C@H]4Oc1c3C2 Tox21_300695 -NCGC00254723-01 196715249 tox21-ror-cho-viability-p1 set2 4 1.9629475 2.66942732 -0.20340337 0.86039304 2.39848429 3.6550537 0.29567784 -0.70733002 -0.79046666 0.56485228 -1.32710704 -0.47251627 6.66533566 2.38194524 3.49348376 1.1069999999E-9 2.474E-9 5.533E-9 1.237E-8 2.766E-8 6.186E-8 1.383E-7 3.093E-7 6.916E-7 0.0000015459999999 0.000003458 0.000007732 0.00001729 0.000038659999999 0.00008645 10025-74-8 66207 144211136 Dysprosium(III) chloride Cl[Dy](Cl)Cl Tox21_300819 -NCGC00254411-01 196715254 tox21-ror-cho-viability-p1 set2 4 -0.46841643 1.74095163 -1.67775273 0.82821907 2.20412842 -0.27773981 3.45162153 2.74719613 3.09342206 0.91627467 -1.12841387 2.16038227 3.63608541 3.45529275 -0.31826532 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-78-1 6497 144210953 D Dimethyl sulfate O=S(=O)(OC)OC Tox21_300636 -NCGC00254073-01 196714861 tox21-ror-cho-viability-p1 set2 4 0.95019284 0.81473 -1.10386093 0.19069418 1.33500922 0.06085471 2.74466623 0.48515287 1.11792146 0.65971142 1.49726921 1.69520684 5.45554702 3.17663994 0.40351671 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 637-07-0 2796 144210597 A A Clofibrate Clc1ccc(OC(C)(C)C(=O)OCC)cc1 Tox21_300277 -NCGC00254053-01 196714449 tox21-ror-cho-viability-p1 set2 4 0.35393361 -0.83342324 1.40854964 1.30431731 1.92234829 1.58629966 -0.99938028 0.96324944 0.64678581 3.77757228 1.90360053 3.15384942 4.43498235 -0.34949055 -4.41951541 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 648917-13-9 12148754 144210573 A A AVE2865 Fc1cc(c(Cl)cc1F)C(=O)NC(=O)Nc2cc(F)ccc2N3CCC(CC3)C(=O)O Tox21_300253 -NCGC00254233-01 196714452 tox21-ror-cho-viability-p1 set2 4 0.002730602 8.857709796 -6.857709796 2 3.0654483358 0.491897035 0.1877530266 -6.13142483 -3.61025289 3.61727555 0.70935838 -0.41444693 3.86263734 -0.8883867 0.28730254 0.24533399 -0.07072879 4.48565517 -1.06378107 5.64936332 2.88066396 6.30997562 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23779-32-0 90258 144210735 Fns Fns 1-[3-(Triethoxysilyl)propyl]urea CCO[Si](OCC)(OCC)CCCNC(N)=O Tox21_300417 -NCGC00253967-01 196714859 tox21-ror-cho-viability-p1 set2 -2.2 38.5707788719 -57.943398504 -3.375770127 -61.319168631 0.7999999999 0.9357432471 0.000032644 -0.73292139 -1.00533329 -3.00377876 -1.7499833 0.09169442 -2.7399678 -8.08136311 -8.13165461 -7.23254611 -10.53593225 -14.21302245 -15.29810368 -21.06893603 -28.33636186 -48.66600685 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65277-42-1 456201 144210587 A A Ketoconazole CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]4CO[C@@](Cn3cncc3)(O4)c5ccc(Cl)cc5Cl Tox21_300267 -NCGC00254544-01 196714864 tox21-ror-cho-viability-p1 set2 -2.4 68.5896218971 -34.278486852 -0.5 -34.778486852 4.9549173134 0.984939086 9.2E-9 -1.87300973 -0.09500226 -0.69163588 -0.67635434 0.85664956 -0.22415279 -1.40975447 -1.12686362 0.7557647 -0.47520388 0.70161809 -0.88226751 -0.51705902 -1.38687274 -28.56540571 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1024-57-3 13930 144210938 A F Heptachlor epoxide ClC3=C(Cl)C4(Cl)C2C(C1OC1C2Cl)C3(Cl)C4(Cl)Cl Tox21_300621 -NCGC00254872-01 196715259 tox21-ror-cho-viability-p1 set2 4 0.685896219 5.061093608 -3.061093608 2 2.9522712143 0.5642773753 0.1259643871 -2.41083636 -2.82792495 -0.56592399 -8.80091134 -0.51526137 -0.35325663 -4.67528562 -2.34147051 -0.18151301 1.41814905 2.51426 2.81047035 2.83480176 0.54373526 1.423073 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18031-40-8 2724159 144211286 I (S)-4-Isopropenyl-1-cyclohexene-1-carboxaldehyde CC(=C)[C@@H]1CC=C(C=O)CC1 Tox21_300969 -NCGC00090858-02 196715265 tox21-ror-cho-viability-p1 set2 4 1.04239487 -2.59060058 -0.76608638 -2.44498431 -1.2404437 0.00598502 -3.06385138 -6.84700069 -1.12767185 1.54752163 0.96905109 -2.52379244 -3.69438985 -5.52329484 -3.01007748 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00257728-01 196715271 tox21-ror-cho-viability-p1 set2 4 76.8805649772 -12.595308036 2.5 -10.095308036 4.9549173134 0.5372121296 0.1482211092 0.82951977 6.159588 1.22890892 1.03409918 2.44435012 2.09530793 0.56111064 2.91344715 7.58244278 1.35200306 0.22019973 4.28054576 -0.16693231 2.47955806 -6.74609003 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 881-03-8 13432 144207372 A A 1-Nitro-2-methylnaphthalene [O-][N+](=O)c2c(C)ccc1ccccc12 Tox21_200174 -NCGC00259192-01 196705934 tox21-ror-cho-viability-p1 set1 4 1.5339689405 9.2258734519 -5.2258734519 4 4.4494702849 0.420299572 0.2693355726 -11.40075957 0.29634464 -8.61105934 -14.77156121 4.34453764 1.29602513 -5.4257776 -5.31441272 -6.47165175 0 5.40546028 3.85880461 3.5188167 2.58256989 -5.20187277 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.593E-8 1.474E-7 3.297E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009214 17689-77-9 87244 144208841 A A Ethyltriacetoxysilane O=C(C)O[Si](OC(C)=O)(OC(=O)C)CC Tox21_201643 -NCGC00166022-02 196705525 tox21-ror-cho-viability-p1 set1 4 0.03257706 -0.1754807 1.30776029 -0.95850147 0.41461717 0.18760799 0.17628113 3.62318888 -0.18321778 2.06976636 -3.02749914 3.81518332 -3.38233478 0.67930479 4.36492848 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 611-71-2 11914 170465573 Z D-(-)-Mandelic acid O[C@@H](C(=O)O)c1ccccc1 Tox21_112292_1 -NCGC00165971-02 196705527 tox21-ror-cho-viability-p1 set1 4 -0.1287147 0.39062745 -1.10155643 -0.14509646 -2.58356911 -0.11827017 1.61270117 -0.25380531 0.62165648 0.69592197 -0.52506174 0.57508347 1.1192131 -1.07559185 6.82152433 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 306-94-5 9386 170466377 F Perflunafene FC2(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C2(F)F Tox21_112274_1 -NCGC00163355-05 196705532 tox21-ror-cho-viability-p1 set1 4 0.14582965 2.89372085 2.59091829 3.54216325 -0.49111887 -0.26651673 2.15467701 2.7803046 -0.73499828 0.49853977 -0.38737808 -1.62245667 0.58000813 -0.8457634 -0.49157632 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 482-89-3 5318432 170465746 F Indigo O=C3c4ccccc4N/C3=C2/Nc1ccccc1C2=O Tox21_112052_1 -NCGC00259264-01 196705948 tox21-ror-cho-viability-p1 set1 4 2.6015259 0.55573285 0.41416302 0.39570849 0.0586554 -4.05132119 -3.20540311 0.37121988 -2.64257371 11.65762683 -5.67000328 2.87660624 -2.68551092 -2.4741978 -0.08838528 1.212E-9 2.71E-9 6.059E-9 1.3549999999E-8 3.029E-8 6.774E-8 1.515E-7 3.387E-7 7.5729999999E-7 0.000001693 0.000003787 0.000008467 0.00001893 0.00004234 0.00009467 111-85-3 8142 144208913 FC 1-Chlorooctane CCCCCCCCCl Tox21_201715 -NCGC00258376-01 196702631 tox21-ror-cho-viability-p1 set1 4 1.47827398 1.32423891 2.44164743 4.45708162 -1.07617856 0.62154886 0.08890997 2.30037326 5.59562644 0.66283783 0.86124281 2.04302678 5.39766806 1.1250277 1.10038903 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041219999999 0.00009218 75-52-5 6375 144208020 AC Bc Nitromethane [O-][N+](C)=O Tox21_200822 -NCGC00258020-01 196702624 tox21-ror-cho-viability-p1 set1 4 1.60984125 0.62213718 0.92936871 2.43135385 -3.49648148 2.9657623 6.85956189 4.72129363 1.28425877 0.57772696 1.31207581 -2.56620726 3.51183356 2.40540534 -0.86490823 1.1679999999E-9 2.612E-9 5.8409999999E-9 1.3059999999E-8 2.9209999999E-8 6.531E-8 1.4599999999E-7 3.265E-7 7.3019999999E-7 0.0000016329999999 0.0000036509999999 0.000008164 0.00001825 0.00004082 0.00009127 27554-26-3 33934 144207664 A A Diisooctyl phthalate CC(C)CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C Tox21_200466 -NCGC00257817-01 196702626 tox21-ror-cho-viability-p1 set1 -1.1 5.398439941 -86.4153860426 -0.1282238859 -86.5436099285 0.8999999999 0.9554438107 0.0000044551 0.0456518 -1.6021856 -0.52587622 -1.50182915 0.69207225 -2.03562762 -1.28585131 -3.60022083 -10.80657818 -34.89511871 -30.84683282 -41.20205509 -79.51603418 -67.26337347 -80.59016661 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.9279999999E-8 6.5479999999E-8 1.464E-7 3.274E-7 7.3209999999E-7 0.000001637 0.00000366 0.000008185 0.0000183 0.000040929999999 0.00009151 14324-55-1 26633 144207461 A A Zinc diethyldithiocarbamate [Zn+2].S=C([S-])N(CC)CC.CCN(CC)C([S-])=S Tox21_200263 -NCGC00257558-01 196702627 tox21-ror-cho-viability-p1 set1 4 38.4531352514 10.3340714799 -1.3340714799 9 1.24751 0.5730148152 0.1186258702 0.69320889 -0.5834198 -2.22729461 -3.70908723 1.08720663 0.56399406 -2.19821476 -2.12762402 -4.32498521 -5.2783929 -0.17037686 3.75381299 0.88715947 2.17090907 8.31942 1.177E-9 2.6319999999E-9 5.884E-9 1.316E-8 2.942E-8 6.579E-8 1.471E-7 3.29E-7 7.356E-7 0.000001645 0.0000036779999999 0.000008224 0.00001839 0.000041119999999 0.000091939999999 3446-89-7 76985 144207202 A F 4-(Methylthio)benzaldehyde CSc1ccc(C=O)cc1 Tox21_200004 -NCGC00257965-01 196702635 tox21-ror-cho-viability-p1 set1 4 -7.7852304 -1.56751598 0.19314729 -0.29660609 1.14634523 -1.57730313 -7.73166707 -10.06194295 -0.13758589 -9.66070215 -0.93165857 -5.09226578 0.58509835 -12.6371738 -6.24952356 1.202E-9 2.687E-9 6.008E-9 1.3429999999E-8 3.0039999999E-8 6.7169999999E-8 1.5019999999E-7 3.359E-7 7.51E-7 0.000001679 0.0000037549999999 0.000008396 0.00001878 0.000041979999999 0.000093879999999 54-21-7 16760658 144207609 A A Sodium salicylate [Na+].O=C([O-])c1ccccc1O Tox21_200411 -NCGC00357288-01 196703048 tox21-ror-cho-viability-p1 set1 4 4.1440297 1.12412975 1.9707592 0.95420817 0.89612682 0.35566031 1.97037587 0.32956418 1.39412531 -5.5364245 3.86402099 0.13614071 6.00465907 1.26771631 -0.05473927 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 193-39-5 9131 251919673 C Indeno(1,2,3-cd)pyrene c5ccc6c1cc2cccc3ccc4ccc(c1c4c23)c6c5 Tox21_304020 -NCGC00356940-01 196703056 tox21-ror-cho-viability-p1 set1 4 0.47346351 -1.99123483 -0.34055586 -2.85053271 -2.49207039 -10.07437388 -1.74381525 1.93974389 -3.18463182 1.41082294 -3.13041005 -4.3506496 11.91162771 1.31321395 -3.37199069 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 101-67-7 7569 251919680 F 4,4'-Dioctyldiphenylamine CCCCCCCCc1ccc(cc1)Nc2ccc(cc2)CCCCCCCC Tox21_303750 -NCGC00357117-01 196703477 tox21-ror-cho-viability-p1 set1 4 -7.9304292 -0.96666389 0.77753681 -1.96363089 -0.66447045 -7.71805367 -0.92801831 -1.54926324 -1.73998386 1.37821124 1.30345644 -12.78905992 0.09527639 -6.68406245 -11.29765132 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1207-12-1 71012 251919980 F 4,6-Dimethyldibenzothiophene Cc3cccc2sc1ccc(C)cc1c23 Tox21_303847 -NCGC00357139-01 196703870 tox21-ror-cho-viability-p1 set1 4 -6.26758962 0.78606523 0.36977529 4.44965547 -1.07941805 1.80213911 1.26519553 2.08164772 2.32236133 1.07463662 8.01391726 -7.71856279 0.23705488 0.67245019 7.88150358 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 496-11-7 10326 251919906 Ac Indan c1cccc2CCCc12 Tox21_303879 -NCGC00256040-01 196700922 tox21-ror-cho-viability-p1 set1 4 1.04634801 1.95526851 -2.12686611 4.81707133 0.26463487 -2.79773705 2.09842713 2.12466675 -5.73004878 -1.93824291 0.20031537 0.0825666 2.78338918 2.59930861 5.90732364 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 623-42-7 12180 144212138 Fns Methyl butyrate CCCC(=O)OC Tox21_301821 -NCGC00018221-08 196700916 tox21-ror-cho-viability-p1 set1 4 0.0110035167 6.1718696599 -6.1718696599 0 3.1319983358 0.645266745 0.06832002 -4.96082002 -5.34024045 -8.47655805 -0.38502052 0.11716984 0.50582136 1.0937294 -0.75044255 -4.77776339 0.52972517 0.49280924 -0.5374949 0.34814008 -0.48051837 2.17831848 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00255896-01 196700925 tox21-ror-cho-viability-p1 set1 4 76.9588215421 11.188065916 0.811934084 12 0.7999999999 0.5121035717 0.1714588322 0.99596094 0.09630217 4.40899844 2.49984059 -2.24005493 0.86071203 0.22773193 0.10923012 2.57848367 2.50159183 -0.04299998 4.145385 1.33287184 3.63192168 8.91270308 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14351-66-7 23678979 144212181 Cc Cc Sodium abietate [Na+].CC(C)C=3CC[C@H]1C(=CC[C@H]2[C@@](C)(CCC[C@]12C)C([O-])=O)C=3 Tox21_301864 -NCGC00164265-02 196697397 tox21-ror-cho-viability-p1 set1 4 2.7510025 4.36160939 4.1321205 5.46327021 -0.13901052 5.15705161 4.64681836 0.2902213 0.82706002 3.89187434 3.16616173 0.15886325 2.68638372 3.28172293 3.07783643 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23696-28-8 71905 170466545 A Olaquindox OCCNC(=O)c2c(C)[n+]([O-])c1ccccc1[n+]2[O-] Tox21_112095_1 -NCGC00178252-05 196697315 tox21-ror-cho-viability-p1 set1 4 -1.37273029 1.3020688 -2.37077192 -1.43597269 -4.80131047 -1.54353034 0.00678542 -1.32554296 -10.19263399 0.07632002 -1.94091917 -1.87145366 -2.52663396 -5.23701952 -7.3186123 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 548-66-3 92806 170466082 A Drofenine hydrochloride Cl.CCN(CC)CCOC(=O)C(c1ccccc1)C2CCCCC2 Tox21_111350_1 -NCGC00091663-03 196697327 tox21-ror-cho-viability-p1 set1 4 3.19541267 2.78842099 0.47628246 -2.84660988 0.05981241 0.24132759 -0.77784627 0.03486398 -0.00388454 -4.60126581 -2.70920923 0.02517357 1.75547264 0.37754562 -4.56978985 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00015110-09 196697357 tox21-ror-cho-viability-p1 set1 4 0.06215498 -3.53983441 -0.2353724 -4.34977905 -4.05866228 -2.74830487 -2.11642945 -0.53381146 -0.39727815 -0.37000033 2.2473802 -0.07070458 -0.9585068 -1.69277869 1.55376525 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 125-84-8 2145 170465259 A Aminoglutethimide CCC1(CCC(=O)NC1=O)c2ccc(N)cc2 Tox21_110406_1 -NCGC00159533-02 196697417 tox21-ror-cho-viability-p1 set1 4 2.21244462 -0.75796483 3.18098679 1.62986992 4.22637965 1.60333383 0.61724133 6.34293961 2.10296781 0.28415618 2.32068711 3.57551468 0.92589329 1.14496095 1.08250575 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98206-09-8 3025067 170466607 A Eltoprazine hydrochloride Cl.c1cc(c2OCCOc2c1)N3CCNCC3 Tox21_111742_1 -NCGC00015705-07 196697448 tox21-ror-cho-viability-p1 set1 4 -0.30342348 -0.33978034 -2.43017651 -5.73667106 -2.77045898 -5.02793534 -2.43159327 -4.21840879 0.39879883 0.67497854 -7.90701836 0.0655545 -1.98563567 -4.49304795 2.61400088 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 19982-08-2 4054 170464999 A Memantine hydrochloride CC13CC2(C)CC(N)(C1)CC(C2)C3 Tox21_110199_1 -NCGC00183003-01 196697452 tox21-ror-cho-viability-p1 set1 4 -2.4969537 3.37447591 1.69647573 0.03796834 2.07208215 1.38547593 0.57057037 0.78316306 1.72610646 0.76124497 3.33618022 3.86969161 1.38287521 1.12714909 3.90241236 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16488-48-5 27891 144206803 A A Depolipon [Cl-].CC[NH+](CC)CCOC(=O)c1ccc(NCCCC)cc1 Tox21_113252 -NCGC00253606-01 196697458 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -13.18897906 1.5 -11.68897906 4.0949729863 0.7019734384 0.0380416909 -0.63695208 0.58971256 1.91437365 0.27102414 6.13880635 0.87930558 1.34419894 0.87589625 0.48398418 1.33640084 3.53198068 -0.54386308 0.03546725 0.22818391 -8.90748255 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 31868-18-5 4177 170465840 I F Mexazolam Clc1ccccc1C34OCC(C)N4CC(=O)Nc2ccc(Cl)cc23 Tox21_113740 -NCGC00319023-02 196697461 tox21-ror-cho-viability-p1 set1 4 0.76089274 7.77601672 0.99355118 0.62880592 -0.43676962 6.6634292 0.27340116 1.46858387 -0.63758669 0.74758233 0.52028563 0.98841583 -0.2823202 0.15563915 1.81746406 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_57603 80274 170466633 A F R-Lotrafiban O=C(c1ccc2N[C@@H](CC(=O)O)C(=O)N(C)Cc2c1)N3CCC(CC3)C4CCNCC4 Tox21_113990 -NCGC00254223-01 196720759 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -63.3163631779 9.513503249 -53.8028599289 4.9549173134 0.8797406913 0.0007963871 9.53552756 6.65464652 5.87713546 1.7950806 14.72634244 10.50518793 4.84439927 14.66944459 9.24031621 14.76808287 6.89857799 17.94560108 2.45206534 9.75959278 -42.3244639 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 205-99-2 9153 144210609 A A Benzo(b)fluoranthene c1cccc5c1cc4c2c5cccc2c3ccccc34 Tox21_300289 -NCGC00254552-01 196719928 tox21-ror-cho-viability-p1 set3 -3 68.1016469048 -66.054089903 15.01340017 -51.040689733 4.9549173134 0.7163591798 0.0310952897 10.56755019 1.87945832 9.76536368 13.39293337 14.0560582 12.30534261 0 27.46132771 18.97536369 15.20079731 20.09575604 30.52234366 9.71109799 21.59281479 -39.61165804 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.0000036659999999 0.000008198 0.00001833 0.00004099 0.000091659999999 23031-36-9 16760153 144210961 A Ac Prallethrin O=C2C[C@@H](OC(=O)[C@H]1[C@H](/C=C(\C)C)C1(C)C)C(C)=C2CC#C Tox21_300644 -NCGC00254647-01 196719934 tox21-ror-cho-viability-p1 set3 4 0.002782018 15.6442373159 -15.6442373159 0 0.4 0.5397400904 0.1451344696 -6.24118465 -14.28686443 -2.76576306 -2.49490357 -6.20425585 -4.88201983 0.4354721 -3.65249655 -3.28167579 -0.82928756 -0.00597576 0.82056834 0.73962928 0.81344424 -2.10906526 1.452E-9 3.246E-9 7.2579999999E-9 1.623E-8 3.629E-8 8.115E-8 1.8149999999E-7 4.057E-7 9.073E-7 0.000002029 0.0000045359999999 0.00001014 0.00002268 0.000050719999999 0.0001134 100-48-1 7506 144211058 AC Ac 4-Pyridinecarbonitrile N#Cc1ccncc1 Tox21_300741 -NCGC00257529-01 196720337 tox21-ror-cho-viability-p1 set3 -1.1 30.6378586933 -70.0175707795 7 -63.0175707795 4.9549173134 0.9688036584 6.056E-7 7.15812432 1.57591167 5.12941851 7.26704117 2.70741448 2.17891722 12.16430728 7.44377946 5.41231731 8.00004283 12.67777045 7.57262258 8.87477802 -57.25292582 -61.82784414 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-77-3 8010 144211513 A Ac Propanedinitrile N#CCC#N Tox21_301196 -NCGC00091759-02 196720760 tox21-ror-cho-viability-p1 set3 4 1.5355303643 14.653732504 -9.153732504 5.5 0.3 0.5165083298 0.1645745691 -4.70442571 -12.62811042 -6.31367759 -1.310916 -10.01863701 -8.5552347 -0.01728667 -2.01383739 -0.45314398 -1.37671464 -2.94481839 -4.04736997 2.39678367 0.43243319 4.4240915 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00254635-01 196720762 tox21-ror-cho-viability-p1 set3 1.4 2.7306020303 27.925344092 -15.925344092 12 0.3 0.8466134116 0.0025031366 -13.12827266 -17.85445341 -9.55088522 -7.63815729 -11.60190869 -8.81538277 -6.35913144 -5.08661437 -2.93885096 -5.42745496 -5.60794998 -1.34643748 0.27078167 6.62732824 7.70543279 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 136-45-8 8693 144211046 A A Dipropyl 2,5-pyridinedicarboxylate O=C(OCCC)c1cnc(cc1)C(=O)OCCC Tox21_300729 -NCGC00254437-01 196720763 tox21-ror-cho-viability-p1 set3 4 9.75778571 -1.74768232 11.79773034 -1.86392159 3.18883577 6.68681614 8.40481682 2.24862789 7.34828801 -1.44343871 2.92125485 2.84346402 1.4689184 2.04317579 -2.77477053 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 334-48-5 2969 144210684 A A Decanoic acid O=C(O)CCCCCCCCC Tox21_300366 -NCGC00258806-01 196721152 tox21-ror-cho-viability-p1 set3 4 15.2148709852 10.305597244 -9.305597244 1 4.9549173134 0.4646909312 0.210942991 -8.91005779 -8.98052163 -3.24280689 -4.36860049 -11.03873031 -12.07761463 -16.50466437 -12.24318607 -13.44199021 -0.62157391 -8.2915046 -11.00562106 -1.74856072 2.28117761 -0.73132588 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 115-96-8 8295 144208452 A A Tris(2-chloroethyl) phosphate ClCCOP(=O)(OCCCl)OCCCl Tox21_201254 -NCGC00258892-01 196721168 tox21-ror-cho-viability-p1 set3 -2.1 27.2504920471 -86.3229100118 -3.046359206 -89.3692692178 1.4163171 0.9622281186 0.000001778 -8.46751575 -11.64725882 -3.88247543 0.31511029 -5.71024097 -1.7708094 -0.65760281 -1.01263862 0.00881104 -2.69556466 -1.05389018 -19.05505268 -38.74903943 -50.96017976 -80.14848177 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009203 95-32-9 7231 144208538 B B 2-(Morpholin-4-yldithio)-1,3-benzothiazole c1cccc2sc(nc12)SSN3CCOCC3 Tox21_201340 -NCGC00258851-01 196721172 tox21-ror-cho-viability-p1 set3 4 22.1097086493 15.01324826 -8.51324826 6.5 4.0949729863 0.3865970477 0.3013195375 -14.86027949 -9.09740285 -0.66167484 -2.46719239 -7.3292775 -8.93289278 -14.21679732 -4.90399811 -17.09437355 -2.11842993 -9.94090967 -7.24086125 -3.60986882 5.68531439 -8.193678 1.1989999999E-9 2.6809999999E-9 5.995E-9 1.34E-8 2.9969999999E-8 6.7019999999E-8 1.4989999999E-7 3.351E-7 7.493E-7 0.000001676 0.000003747 0.000008378 0.00001873 0.00004189 0.00009367 97-65-4 811 144208497 A A Methylenebutanedioic acid O=C(O)C(=C)CC(=O)O Tox21_201299 -NCGC00091088-05 196721554 tox21-ror-cho-viability-p1 set3 4 9.6885416101 11.8980004999 -3.3980004999 8.5 3.9899729863 0.8425249114 0.0028322948 -4.41135647 -6.99833375 -5.31243797 0.87511782 -2.25941384 -5.41402789 -3.59803445 -2.90308722 -2.75619752 -1.04533468 -5.49348824 -0.05248142 10.28938779 7.11705328 7.85879871 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00256528-01 196718263 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -15.347744112 0 -15.347744112 4.9549173134 0.7037702749 0.0368836414 -1.01733584 -0.12778064 1.12086423 0.72786969 0.47540722 0.75855466 0.42103884 -0.60857626 0.18215638 6.0692343 -1.71183872 -1.79533457 -3.9252416 0.25801201 -12.78978676 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 136-40-3 8691 144213055 A A Phenazopyridine hydrochloride Cl.Nc2nc(N)ccc2/N=N/c1ccccc1 Tox21_302738 -NCGC00257836-01 196716096 tox21-ror-cho-viability-p1 set2 4 6.33796104 2.32852625 -0.21781442 -9.05166581 5.38431276 1.52686195 1.9342846 0.3647123 6.5859859 -3.62929324 2.21860436 -3.59296795 6.25439807 3.58772261 8.92119626 1.152E-9 2.576E-9 5.7609999999E-9 1.288E-8 2.8799999999E-8 6.4409999999E-8 1.44E-7 3.22E-7 7.2009999999E-7 0.00000161 0.000003601 0.000008051 0.000018 0.00004026 0.00009001 110-59-8 8061 144207480 FC Valeronitrile CCCCC#N Tox21_200282 -NCGC00257991-01 196715684 tox21-ror-cho-viability-p1 set2 4 3.85725087 3.07224418 3.01318342 0.13313391 4.4368334 5.6978861 -1.21171882 -1.34517875 1.45449069 3.40555072 1.61317518 1.41220088 2.64662354 0.27212039 0.34786419 1.1689999999E-9 2.6129999999E-9 5.843E-9 1.3069999999E-8 2.922E-8 6.5329999999E-8 1.461E-7 3.2659999999E-7 7.304E-7 0.0000016329999999 0.000003652 0.000008166 0.00001826 0.000040829999999 0.0000913 111-36-4 8110 144207635 F Butyl isocyanate CCCC\N=C=O Tox21_200437 -NCGC00091902-08 196715695 tox21-ror-cho-viability-p1 set2 4 -1.31803894 -1.5272484 -3.71287729 -3.18321208 -0.46628409 -1.58058107 -3.13325874 -2.73072067 -4.9717474 0.16964748 -1.27557482 -1.56772118 -0.60914801 -3.35168951 -1.92545786 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00257914-01 196715699 tox21-ror-cho-viability-p1 set2 4 26.6409312014 12.0225740919 -2.0225740919 10 2.3331733767 0.5082277736 0.1895601367 -0.54526196 -2.65844685 -0.79542914 -1.95528634 -2.60038757 -0.36790496 -0.47601022 -10.43547841 -2.27422145 -0.9398484 -1.23633621 0 0.677193 7.37117288 1.97615502 1.156E-9 2.585E-9 5.78E-9 1.292E-8 2.8899999999E-8 6.4619999999E-8 1.4449999999E-7 3.231E-7 7.225E-7 0.000001616 0.000003613 0.000008078 0.000018059999999 0.00004039 0.00009031 768-52-5 13032 144207558 D N-Isopropylaniline CC(C)Nc1ccccc1 Tox21_200360 -NCGC00257880-01 196716101 tox21-ror-cho-viability-p1 set2 4 -2.2930851 -1.15074558 -6.3555984 -3.24003246 -2.30610332 -1.14973155 -0.4445226 0.53879639 -0.68977581 -3.21309576 -3.39464466 1.76415035 0.6446602 -3.41174989 -4.99322924 1.177E-9 2.631E-9 5.884E-9 1.316E-8 2.942E-8 6.578E-8 1.471E-7 3.289E-7 7.354E-7 0.000001645 0.0000036769999999 0.000008223 0.00001839 0.00004111 0.00009193 538-74-9 10867 144207524 A A Benzyl sulfide C(SCc1ccccc1)c2ccccc2 Tox21_200326 -NCGC00258563-01 196716510 tox21-ror-cho-viability-p1 set2 4 62.0019276794 22.5613306599 -0.5613306599 22 4.4494702849 0.5642091577 0.1240635175 -1.09888844 -0.6754083 -3.80839063 2.83979028 4.15226185 4.62438184 -14.21777555 0.29706845 1.06962599 1.53582528 0.6252059 0.08139174 -2.08704361 3.05548834 18.76516105 1.194E-9 2.67E-9 5.9699999999E-9 1.335E-8 2.985E-8 6.6739999999E-8 1.4919999999E-7 3.337E-7 7.4619999999E-7 0.000001669 0.0000037309999999 0.000008343 0.00001866 0.00004171 0.00009328 4342-03-4 5281007 144208208 A A Dacarbazine CN(C)/N=N/c1ncnc1C(N)=O Tox21_201010 -NCGC00258283-01 196716512 tox21-ror-cho-viability-p1 set2 -2.2 55.2592762104 -53.7691833735 2.5596970955 -51.209486278 3.1924983358 0.977303563 9.87E-8 2.65045471 2.17965008 1.80847125 1.59047334 3.97192733 6.22311394 -0.41937342 2.41441595 -0.36416338 1.60279653 0.82261146 5.23028556 1.47007606 -13.30624887 -42.58294415 1.194E-9 2.671E-9 5.972E-9 1.335E-8 2.986E-8 6.677E-8 1.493E-7 3.338E-7 7.465E-7 0.000001669 0.000003733 0.000008346 0.00001866 0.000041729999999 0.00009331 100-29-8 7495 144207927 F 1-Ethoxy-4-nitrobenzene CCOc1ccc(cc1)[N+]([O-])=O Tox21_200729 -NCGC00258221-01 196716519 tox21-ror-cho-viability-p1 set2 4 -0.25778952 0.24246648 -8.1853295 1.49601661 -3.32706407 -6.03587313 1.35318546 1.46444775 -1.96340241 0.71789613 -0.48776626 -0.29063916 -3.16843201 0.64180979 -1.82566889 1.166E-9 2.6069999999E-9 5.829E-9 1.303E-8 2.9139999999E-8 6.517E-8 1.457E-7 3.2579999999E-7 7.286E-7 0.000001629 0.0000036429999999 0.000008146 0.00001821 0.00004073 0.00009107 7581-97-7 24233 144207865 FC 2,3-Dichlorobutane CC(Cl)C(C)Cl Tox21_200667 -NCGC00258145-01 196716523 tox21-ror-cho-viability-p1 set2 4 -2.06103886 1.98319104 0.21505466 -1.58210004 0.24088492 -3.05112023 -2.40793177 -0.07264695 1.94521981 -1.11970439 0.05864018 0.04337656 0.09509318 1.93056146 2.44255263 1.229E-9 2.7469999999E-9 6.143E-9 1.374E-8 3.071E-8 6.868E-8 1.5359999999E-7 3.4339999999E-7 7.678E-7 0.000001717 0.000003839 0.000008584 0.0000192 0.00004292 0.00009598 344790-87-0 11424151 144207789 A A 1-Butyl-3-methylimidazolium thiocyanate CCCCn1cc[n+](C)c1.[S-]C#N Tox21_200591 -NCGC00257926-01 196716525 tox21-ror-cho-viability-p1 set2 4 -2.67185445 -10.6280997 -9.97668199 -2.91608112 -10.55571249 -2.878031 -10.46057893 -1.52369267 -11.22390225 0.0082221 -1.8187869 -8.64730207 -11.29111478 -10.35967056 -0.3717144 1.171E-9 2.618E-9 5.8549999999E-9 1.3089999999E-8 2.927E-8 6.546E-8 1.464E-7 3.2729999999E-7 7.3179999999E-7 0.0000016359999999 0.0000036589999999 0.000008182 0.0000183 0.000040909999999 0.00009148 89-58-7 6974 144207570 A A 1,4-Dimethyl-2-nitrobenzene Cc1ccc(C)cc1[N+](=O)[O-] Tox21_200372 -NCGC00164567-02 196716927 tox21-ror-cho-viability-p1 set2 4 3.13310918 -3.00944519 -5.60235145 -6.20906911 4.79227823 0.00756704 2.36831846 -0.33428571 -2.37426188 2.55047005 -1.22214915 -1.6842502 -5.72645928 -1.56409332 -7.32417569 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 129273-38-7 115367 170466096 A Perospirone hydrochloride Cl.O=C4N(CCCCN1CCN(CC1)c3nsc2ccccc23)C(=O)[C@@H]5CCCC[C@H]45 Tox21_112196_1 -NCGC00015089-17 196716934 tox21-ror-cho-viability-p1 set2 4 0.084126743 8.1495377439 -7.6495377439 0.5 0.5 0.6990333771 0.0393125026 -5.19584917 -6.22686486 -10.95794812 -6.40699088 -3.35617983 -2.77720937 -2.52309206 -4.71036641 -4.31889306 -1.46520601 0.50051402 0.14341994 -0.73568994 0.26474939 0.11837858 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2609-46-3 16231 170465124 A Amiloride hydrochloride Clc1nc(C(=O)NC(=N)N)c(N)nc1N Tox21_110080_1 -NCGC00258124-01 196716142 tox21-ror-cho-viability-p1 set2 4 3.11184929 -2.17501357 -1.95834802 0.1388562 0.18134846 -1.96999804 -0.08196498 -0.10235192 0.38399489 -4.53353339 1.56243533 0.57653239 0.66058733 1.02352058 -2.6530902 1.1859999999E-9 2.6519999999E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001853 0.000041439999999 0.000092669999999 7149-26-0 23535 144207768 A B Linalyl anthranilate Nc1ccccc1C(=O)OC(C)(C=C)CC\C=C(/C)C Tox21_200570 -NCGC00181000-02 196705120 tox21-ror-cho-viability-p1 set1 4 -4.02704307 0.09117695 -0.05039249 -3.98920955 1.9915572 -0.2549659 0.15286617 1.77642989 -3.75558339 -2.82374029 -0.42518967 0.41417025 0.75320222 0.87375873 2.62594574 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94055-76-2 71773 170465881 B Suplatast tosylate Cc1ccc(cc1)S(=O)([O-])=O.C[S+](C)CCC(=O)Nc1ccc(OCC(O)COCC)cc1 Tox21_112652_1 -NCGC00182552-02 196704704 tox21-ror-cho-viability-p1 set1 4 0.21481574 4.9997736 4.34128024 0.52098441 3.85073944 -0.42167414 0.74682549 4.06793254 -0.17784779 0.05430463 0.64068716 2.31960909 1.57400093 1.89425198 5.54041753 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 198904-31-3 148192 170465290 A Atazanavir CC(C)(C)[C@H](NC(=O)OC)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc2ccc(cc2)c3ccccn3 Tox21_113081_1 -NCGC00090686-07 196704712 tox21-ror-cho-viability-p1 set1 4 -2.06678704 -1.90303826 2.73932812 -0.49914924 -1.0013685 -1.33820189 -2.9296313 -0.88392584 0.05116113 7.93628286 -2.59957056 -0.3377541 -1.28758372 -0.39171729 -4.67540827 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00015150-04 196705119 tox21-ror-cho-viability-p1 set1 4 5.3080386368 5.328214064 -1.828214064 3.5 2.2526478767 0.4047857638 0.2707848593 -5.27351172 0.01943156 -0.26053504 -1.40025275 1.04590963 -1.20310072 -0.84849922 -1.10149664 -1.41851041 -3.64246699 -4.94009848 0.42019503 5.25591788 -1.13854592 5.51432475 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 590-46-5 11545 170464844 F Betaine [Cl-].C[N+](C)(C)CC(=O)O Tox21_111373_1 -NCGC00016446-11 196705139 tox21-ror-cho-viability-p1 set1 4 29.8492948118 12.1993938679 -1.1993938679 11 4.0949729863 0.7584937031 0.0175172792 0.98067088 -1.1908819 -3.49949489 0.72553161 -1.01022398 0.51233236 -1.19478875 -0.54295423 0.52134113 -2.2913146 -2.87402593 -3.05221919 0.5197892 0.88387434 9.06723757 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 443-48-1 4173 170464948 A Metronidazole Cc1ncc([N+]([O-])=O)n1CCO Tox21_110441_1 -NCGC00166217-02 196705540 tox21-ror-cho-viability-p1 set1 4 0.05571147 -5.76766042 0.73934321 0.25820146 -0.08226696 0.25970184 1.49956708 1.43365609 0.32424692 1.40976317 0.7691204 1.25522115 1.10898219 2.72740884 1.55228615 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 423-55-2 9873 170465144 F 1-Bromoheptadecafluorooctane FC(F)(C(F)(F)C(Br)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_112353_1 -NCGC00166086-03 196705545 tox21-ror-cho-viability-p1 set1 4 -8.81109838 1.15488454 -2.30991587 -7.99292217 -1.193499 -0.3517438 -1.23540167 0.59799604 0.31873198 -0.75166149 -2.76464851 -3.87041286 1.74060701 0.15311153 -0.35405082 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 543-82-8 10982 170466573 F 2-Amino-6-methylheptane CC(C)CCCC(C)N Tox21_112309_1 -NCGC00164633-02 196705549 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -19.88963068 2 -17.88963068 4.9549173134 0.8976415368 0.0003667387 4.0507871 -0.55768218 1.51898526 3.68317687 2.01430633 0.10357703 -0.00087995 3.45781934 2.4549994 0.68304311 2.43622543 0.14893917 1.7424581 1.43409587 -15.7413589 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63675-72-9 4499 170465320 A Nisoldipine CC=1NC(C)=C(C(C=1C(=O)OCC(C)C)c2ccccc2[N+]([O-])=O)C(=O)OC Tox21_112251_1 -NCGC00164526-02 196705550 tox21-ror-cho-viability-p1 set1 4 1.09306963 4.91820113 0.84381249 0.78591531 0.95483484 0.61179443 0.28407028 0.79543147 1.82365733 2.8422623 -2.08874699 1.06785436 -4.37137916 0.27511892 4.85987403 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54-30-8 5902 170465936 A Camylofin CC(C)CCOC(=O)C(NCCN(CC)CC)c1ccccc1 Tox21_112157_1 -NCGC00256285-01 196700590 tox21-ror-cho-viability-p1 set1 4 43.2771256911 -12.23588866 0.5 -11.73588866 3.0654483358 0.9367756091 0.0000310115 -0.68363977 0.02269983 0.42921818 -0.60292258 0.75271768 1.19748474 0.07000269 1.00075168 0.371757 1.48990589 -1.192683 0.1721929 0.709569 -5.65737575 -10.61324055 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84-51-5 6772 144212011 A A 2-Ethylanthracene-9,10-dione CCc2ccc3C(=O)c1ccccc1C(=O)c3c2 Tox21_301694 -NCGC00256311-01 196700167 tox21-ror-cho-viability-p1 set1 4 -1.69607795 1.51326905 -11.3707267 -3.44953696 -4.71211066 2.18882933 0.86106192 2.38669272 -0.12604128 -4.54598673 1.92929665 -4.66140635 -2.85790488 -4.11086481 0.48379418 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94317-64-3 93502 144212332 A A N-Butylphosphorothioic triamide CCCCNP(N)(N)=S Tox21_302015 -NCGC00255227-01 196700173 tox21-ror-cho-viability-p1 set1 -2.4 27.3060203028 -30.284334656 -2 -32.284334656 0.7999999999 0.8344745327 0.0035190545 -0.20458551 0.19141052 -0.28491782 0.16825355 0.66690772 -5.29622644 -8.60789974 -0.5676369 -7.33355732 -8.53946858 -4.74393283 -4.89819286 -16.10590046 -21.00547721 -23.57027888 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 36505-84-7 2477 144212688 A A Buspirone O=C4CC1(CCCC1)CC(=O)N4CCCCN2CCN(CC2)c3ncccn3 Tox21_302371 -NCGC00181129-06 196725426 tox21-ror-cho-viability-p1 set3 -2.4 29.8492948118 -30.99377388 5 -25.99377388 4.5044702849 0.7507761229 0.0192551096 3.17233209 -2.22876527 -0.04784607 6.66510723 11.95544223 1.20687515 10.95987692 9.76988568 8.07104467 6.5783749 1.73267382 4.89900619 3.31673226 0.47280441 -22.0781449 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 302962-49-8 3062316 170465390 A Dasatinib Cc4cccc(Cl)c4NC(=O)c3cnc(Nc1nc(C)nc(c1)N2CCN(CCO)CC2)s3 Tox21_112736_1 -NCGC00183007-01 196725013 tox21-ror-cho-viability-p1 set3 4 0.2984929481 9.61020668 -6.11020668 3.5 4.9549173134 0.3595144195 0.3104940723 0 0 3.91695784 3.04267621 -13.2731536 -11.94671496 -14.70149733 -15.0918389 3.46223343 4.95235875 4.70891685 2.86504161 1.82343437 0.8724807 3.22616207 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79714-31-1 133264 144206824 B B Risarestat CCCCCOc1ccc(cc1OCC)C2SC(=O)NC2=O Tox21_113273 -NCGC00160537-04 196725423 tox21-ror-cho-viability-p1 set3 1.4 0.0685896219 15 2 17 4.9549173134 0.7244087994 0.0353935304 1.23207789 1.17490946 1.10928639 6.20370602 0 9.14229386 25.93523414 14.9070988 15.53492996 15.28438412 12.29182597 17.59105787 24.07799832 8.92326462 2.31721231 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00167958-05 196725427 tox21-ror-cho-viability-p1 set3 1.1 0.6682424727 58.9419600759 -3.0330968244 55.9088632515 2.4063783767 0.9840343932 1.28E-8 0 -3.81865322 -5.6260554 -3.96299693 -2.17901614 -2.22154224 0.12279433 2.08140599 0.36535245 37.12526783 49.4344601 49.53049498 58.47573676 56.65857082 60.01055149 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64221-86-9 104838 170464934 Z Imipenem O[C@H](C)[C@H]2C(=O)N1C(=C(C[C@@H]12)SCCNC=N)C(=O)O Tox21_110689_1 -NCGC00090887-04 196725429 tox21-ror-cho-viability-p1 set3 4 0.0595571731 6.9461393719 -6.9461393719 0 1.111 0.3356754337 0.3341474131 -10.37178281 0 -8.88826505 -9.59713265 -3.55475655 -7.76018322 4.30314949 -9.10752953 -0.74545572 1.59867484 4.48138636 2.16562491 1.49088232 -5.89908437 -0.46152017 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118-55-8 8361 170465501 F Phenyl salicylate Oc2ccccc2C(=O)Oc1ccccc1 Tox21_113459_1 -NCGC00182850-02 196725430 tox21-ror-cho-viability-p1 set3 4 0.14671716 1.64186337 -10.20975525 -10.92382595 -10.15883751 -2.58678869 -0.48431268 2.4994312 1.990895 -3.1609326 -1.00519376 7.84723111 1.17040645 -11.00165531 2.27362349 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82626-01-5 54897 170466634 A Alpidem CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)c3ccc(Cl)cc3 Tox21_113593_1 -NCGC00185769-01 196725436 tox21-ror-cho-viability-p1 set3 4 2.91565428 0.56710906 -0.19134836 7.64420544 5.80112128 -3.6608579 8.45416553 -4.48168011 -1.59083056 8.1668485 7.35860297 -1.97764487 4.04888752 -2.01256784 0.38013411 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 49763-96-4 5311454 144207171 F F Stiripentol CC(C)(C)C(O)/C=C/c1ccc2OCOc2c1 Tox21_113622 -NCGC00181910-01 196725838 tox21-ror-cho-viability-p1 set3 4 0.0094391758 -21.431157936 7.5 -13.931157936 1.111 0.8127608625 0.0060207815 2.87427223 11.46746898 0 0 -7.91638913 -9.06957753 -10.4620016 -8.89452037 -19.10451702 -16.29719109 -14.60970153 -10.14140099 -19.10929828 -11.48687022 -9.47458102 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25439-20-7 32995 144206886 A A N,N-Dimethyl-2-(2-phenylacetamido)acetamide O=C(Cc1ccccc1)NCC(=O)N(C)C Tox21_113335 -NCGC00018186-07 196725849 tox21-ror-cho-viability-p1 set3 4 1.0590929458 12.5482994719 -8.5482994719 4 2.3331733767 0.5785759616 0.1127636186 -10.32054133 -12.54024956 4.76583333 -10.6249782 -10.49190105 -11.48352314 -9.55130265 -10.72152572 -0.37419808 -8.83970101 5.5742219 5.71028228 0.78914788 3.45306975 4.20208416 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1508-76-5 207841 170464805 C Procyclidine hydrochloride Cl.OC(CCN1CCCC1)(c2ccccc2)C3CCCCC3 Tox21_110508_1 -NCGC00257678-01 196730498 tox21-ror-cho-viability-p1 set3 4 3.28245128 0.6540505 -0.60446887 3.68696459 3.38457246 1.81346184 1.30016385 -0.35750856 0.22205504 -0.95465464 1.21761338 -0.22510788 -2.17453354 0.29363573 -2.92045154 1.144E-9 2.5579999999E-9 5.72E-9 1.2789999999E-8 2.8599999999E-8 6.395E-8 1.4299999999E-7 3.1979999999E-7 7.1499999999E-7 0.0000015989999999 0.000003575 0.000007994 0.00001787 0.00003997 0.00008937 693-95-8 12748 144207322 AC Ac 4-Methylthiazole Cc1cscn1 Tox21_200124 -NCGC00016049-07 196722356 tox21-ror-cho-viability-p1 set3 4 0.016785492 -13.293449748 13.5 0.206550252 0.7 0.5573385051 0.1452510519 8.49586467 19.84211952 7.49422128 3.98991373 10.49096475 4.67470493 5.70449814 3.23561039 0.83518011 -2.37066956 2.27868447 -1.58957089 -3.57787479 6.79758893 17.15573178 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 136-47-0 8695 170465190 A Tetracaine hydrochloride Cl.CN(C)CCOC(=O)c1ccc(NCCCC)cc1 Tox21_110290_1 -NCGC00258880-01 196721968 tox21-ror-cho-viability-p1 set3 4 -4.15554002 -0.80215136 -0.62156244 3.23338946 -2.35774561 -4.26289838 -3.58695176 -8.27345458 -6.37938893 -2.6511124 -1.16130433 -2.28090056 -0.15514983 1.21484701 1.42701448 1.163E-9 2.5999999999E-9 5.813E-9 1.2999999999E-8 2.9069999999E-8 6.499E-8 1.453E-7 3.25E-7 7.266E-7 0.000001625 0.0000036329999999 0.000008124 0.00001817 0.000040619999999 0.00009083 1498-51-7 15158 144208526 A F Ethyl dichlorophosphate ClP(Cl)(=O)OCC Tox21_201328 -NCGC00259199-01 196721973 tox21-ror-cho-viability-p1 set3 4 0.1563681081 25.742582872 -15.742582872 10 0.2 0.6117646028 0.1025405681 -9.3862564 -10.22464874 0.74743976 -13.11881906 -2.98443662 -3.21331296 -1.66199796 -1.51123078 -1.60562767 -0.05152878 0.19298515 0.72097578 1.02865526 6.81484035 -1.87453852 1.198E-9 2.68E-9 5.992E-9 1.34E-8 2.996E-8 6.6989999999E-8 1.4979999999E-7 3.35E-7 7.4899999999E-7 0.000001675 0.000003745 0.000008374 0.000018719999999 0.00004187 0.00009362 462-08-8 10009 144208848 B Fns 3-Pyridinamine Nc1cccnc1 Tox21_201650 -NCGC00015830-08 196722373 tox21-ror-cho-viability-p1 set3 4 2.3710137656 -29.244880904 7.5 -21.744880904 0.3 0.6175856811 0.0845854569 6.32268289 4.92490964 -2.60830942 6.75849336 8.66739711 0.96214342 0.75003751 -0.0976665 -15.4672316 -6.7954902 -0.7816007 -5.09350935 -5.29806248 -16.45406742 -14.23460964 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 156-51-4 61100 170465229 Z Phenelzine O=S(=O)(O)O.NNCCc1ccccc1 Tox21_110236_1 -NCGC00024309-17 196722772 tox21-ror-cho-viability-p1 set3 4 0.0026603212 11.854587572 -12.354587572 -0.5 4.9549173134 0.4874372194 0.1899194457 -3.09472556 -21.96215631 -4.37464355 -1.80932221 -2.10321836 -0.52925631 -4.92210753 -4.53132132 3.54875875 1.54362158 1.25324832 -0.19808768 -1.57785404 1.63274682 1.36099073 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 42399-41-7 39186 170464699 A (+)-Diltiazem CN(C)CCN1c3ccccc3S[C@H]([C@@H](OC(C)=O)C1=O)c2ccc(OC)cc2 Tox21_110898_1 -NCGC00093936-08 196722781 tox21-ror-cho-viability-p1 set3 4 1.33487595 0.80451694 1.11654332 5.25868386 4.57491105 5.47036731 2.76541503 4.66709509 -1.5587232 -0.81687979 3.89487625 3.48464757 -3.16820502 2.9617767 11.53471678 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5959-95-5 145815 170465304 F D-Glutamine O=C(N)CC[C@@H](N)C(=O)O Tox21_112047_1 -NCGC00164558-02 196722793 tox21-ror-cho-viability-p1 set3 3 29.8492948118 47.9941399494 3.849962795 51.8441027444 0.7 0.6721745936 0.051573073 9.10882939 6.1864787 2.24717665 5.2786132 0.01345417 1.31107102 5.20216172 4.88528122 1.16509487 11.61684721 16.7183702 17.25694633 15.92334001 9.63005736 41.51382622 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2765-97-1 53398649 170466467 A Pargeverine hydrochloride Cl.CN(C)CCOC(=O)C(OCC#C)(c1ccccc1)c2ccccc2 Tox21_112187_1 -NCGC00163939-02 196722795 tox21-ror-cho-viability-p1 set3 4 0.0016785492 -12.0602294039 8.5 -3.5602294039 4.9549173134 0.7033001005 0.0369392207 8.2349038 6.29713037 -3.20123273 -2.09739064 -5.32719543 0.11314769 -5.02958543 -5.32284659 -1.34316378 -6.35163331 -7.55019117 -4.45657697 -3.49099974 -3.95056656 2.11525968 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 28772-56-7 54680085 170465749 A Bromadiolone Brc1ccc(cc1)c2ccc(cc2)C(O)CC(C3=C(O)c4ccccc4OC3=O)c5ccccc5 Tox21_112561_1 -NCGC00254629-01 196719538 tox21-ror-cho-viability-p1 set3 4 0.0046930464 15.571182244 -17.571182244 -2 0.7999999999 0.5330362099 0.1503344544 -13.38756565 -14.64265187 -8.41404448 -5.25022324 -8.8204961 -4.62803498 -0.04978041 -4.1115755 -0.6361801 0.60002516 -2.20790828 -2.06531447 -8.03084071 -9.26261846 -4.39026871 9.4669999999E-10 2.117E-9 4.734E-9 1.058E-8 2.367E-8 5.292E-8 1.183E-7 2.646E-7 5.917E-7 0.0000013229999999 0.000002959 0.000006615 0.000014789999999 0.000033079999999 0.000073959999999 173584-44-6 107720 144211040 A A Indoxacarb FC(F)(F)Oc1ccc(cc1)N(C(=O)OC)C(=O)N2N=C3c4ccc(Cl)cc4C[C@@]3(OC2)C(=O)OC Tox21_300723 -NCGC00254648-01 196719525 tox21-ror-cho-viability-p1 set3 4 19.3311819617 16.9649309839 -9.9649309839 7 0.3 0.5212364079 0.1605023712 -8.28333628 -13.72077582 -8.38682608 -1.59537842 -11.32120184 -8.71652267 -5.68513962 -5.54072252 -4.87211027 -2.88392054 -3.69458302 -2.72364875 -3.79393017 -4.98658135 5.95912986 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25057-89-0 2328 144211059 A A Bentazone CC(C)N1C(=O)c2ccccc2NS1(=O)=O Tox21_300742 -NCGC00255077-01 196719532 tox21-ror-cho-viability-p1 set3 -3 13.6854287769 -89.9719530042 4.2273527575 -85.7446002467 3.1319983358 0.8823353988 0.0020665276 3.30601194 0.00598221 10.49491436 7.02885383 8.89243413 8.36982746 -5.38776609 -0.82011284 2.47435216 -4.35342526 3.23274179 3.70253312 -64.95803049 2.75339514 0.35647182 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67747-09-5 73665 144211496 A A Prochloraz O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2 Tox21_301179 -NCGC00254970-01 196719533 tox21-ror-cho-viability-p1 set3 4 -4.98159453 -5.59458379 2.80708377 1.57656976 -2.1055361 -5.02029217 4.64243516 -2.59242381 0.67901328 -0.46893646 3.47191822 -2.44855521 1.09717697 0.87276639 6.08561302 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1873-88-7 6327366 144211386 FC 1,1,1,3,5,5,5-Heptamethyltrisiloxane C[Si](C)(C)O[SiH](C)O[Si](C)(C)C Tox21_301069 -NCGC00256949-01 196718187 tox21-ror-cho-viability-p1 set2 4 -3.58029162 0.96828283 -1.01694434 -4.25626746 -1.41989068 0.61975249 -3.79817402 1.66854246 -3.26458548 1.27703557 -0.87891034 -2.52166852 -1.52242737 -4.50119036 0.25722838 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-01-3 31237 144213378 A Fns Dodecylbenzene CCCCCCCCCCCCc1ccccc1 Tox21_303061 -NCGC00257141-01 196718191 tox21-ror-cho-viability-p1 set2 4 1.64743389 0.56670594 1.94066144 1.64083897 0.66471347 5.59697426 0.41144185 7.36515006 -2.11064488 0.78949643 3.33625493 0.64451379 0.24982885 0.9385346 -1.92121199 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 97-65-4 811 144213388 Ac A Methylenebutanedioic acid O=C(O)C(=C)CC(=O)O Tox21_303071 -NCGC00256656-01 196718195 tox21-ror-cho-viability-p1 set2 4 -2.01792176 -2.32096254 -6.56555273 -1.94174531 -2.75789887 -9.12426978 -4.60205366 -5.46117319 -7.77929353 -2.57724363 -3.3674843 0.31041893 -4.41307954 -8.71536308 -10.3191936 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68610-51-5 144213021 M M Poly(dicyclopentadiene-co-p-cresol) Tox21_302704 -NCGC00090750-04 196718588 tox21-ror-cho-viability-p1 set2 4 -0.33915385 0.51458265 1.70728501 0.00483016 3.28649159 0.57715928 0.47880082 3.97941256 2.74458272 0.42438862 4.61630021 2.87529877 0.69208671 0.7670946 -0.71966802 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00257466-01 196718609 tox21-ror-cho-viability-p1 set2 4 1.69428823 -0.31666064 -1.90723404 0.29720845 1.62780831 4.13230723 2.12045243 3.17544565 -1.14402764 0.25854013 3.40720747 -2.3404258 -0.29575113 0.42585348 5.02592739 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.000003681 0.00000823 0.000018399999999 0.00004115 0.00009201 479500-35-1 11769095 144213701 A 1-Butyl-1-methylpyrrolidinium chloride [Cl-].CCCC[N+]1(C)CCCC1 Tox21_303389 -NCGC00256886-01 196719014 tox21-ror-cho-viability-p1 set2 4 27.3060203028 -10.205966756 0.5 -9.705966756 4.9549173134 0.7036095023 0.0369753569 -1.42759522 0.17677683 0.72276249 -3.07255158 0.12141488 4.82810806 -0.06836778 4.95649215 -1.52692966 -0.10246781 -0.8951716 0.55277276 -0.42735799 -8.46302137 -9.33830563 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 130-80-3 657220 144213030 A A Diethylstilbestrol dipropionate O=C(Oc1ccc(cc1)C(\CC)=C(/CC)c2ccc(OC(=O)CC)cc2)CC Tox21_302713 -NCGC00257355-01 196719019 tox21-ror-cho-viability-p1 set2 4 0.95874799 0.68844669 1.11546356 -0.9420813 1.53347133 -5.92233391 -8.9085133 -0.48528353 -5.97651668 0.17096568 -5.78073052 3.52029922 4.14639353 2.26767968 0.8546659 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1671-75-6 74282 144213849 A F Heptanophenone O=C(CCCCCC)c1ccccc1 Tox21_303543 -NCGC00257115-01 196719021 tox21-ror-cho-viability-p1 set2 4 0.36271143 1.23605298 1.16048791 2.70965672 2.56604701 5.75401608 3.38249901 3.72394059 1.58280763 -0.51480022 6.9856868 6.11553346 4.8391389 5.75668637 0.59929883 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 4131-74-2 77781 144213592 A A Dimethyl 3,3'-thiodipropionate COC(=O)CCSCCC(=O)OC Tox21_303275 -NCGC00256625-01 196719445 tox21-ror-cho-viability-p1 set2 4 -4.51875696 -3.51181418 -1.46943189 -1.82101476 -0.78336282 -4.50436661 -6.38164131 -2.1513978 -4.29720983 -0.29909797 1.36869348 -2.64713672 -1.44591704 1.73621972 -1.10361108 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-61-2 66678 144212823 A Ac 6-Methyl-1,2,3,4-tetrahydroquinoline Cc1ccc2NCCCc2c1 Tox21_302506 -NCGC00256943-01 196718615 tox21-ror-cho-viability-p1 set2 4 0.22637768 1.40436959 0.47301634 1.04823101 -9.0278953 3.49419327 -3.58434197 -6.3318706 -6.64068443 -3.07219197 -7.76928699 5.03314694 -1.71942556 1.57793179 2.42090327 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-96-2 7211 144213570 A I 2-Ethyl-1,3-hexanediol CCCC(O)C(CC)CO Tox21_303253 -NCGC00263906-02 196717804 tox21-ror-cho-viability-p1 set2 4 0.31012508 0.60321322 3.0295872 4.12803136 0.59743812 -0.47543331 2.28791235 2.98134696 3.34737018 -0.09595913 -0.60609955 -0.16159594 3.1697388 2.6862594 4.21371374 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 751-97-3 54680694 170465919 Fc Rolitetracycline O=C(NCN1CCCC1)C4=C(O)[C@@H](N(C)C)[C@@H]5CC3C(C(=O)c2c(O)cccc2[C@@]3(C)O)=C(O)[C@]5(O)C4=O Tox21_110483_1 -NCGC00257293-01 196718215 tox21-ror-cho-viability-p1 set2 4 18.7823965498 -18.9210732639 -1.5 -20.4210732639 4.9549173134 0.8267809742 0.0043355597 -2.84146202 -1.36240489 1.08009738 -3.22878026 -6.70633371 1.25892068 1.025235 -1.03634581 -2.95685512 -0.15535822 -2.31678076 -1.12293072 -1.08350065 -3.86581209 -18.68422772 3.643E-10 8.147E-10 1.822E-9 4.073E-9 9.108E-9 2.037E-8 4.5539999999E-8 1.018E-7 2.277E-7 5.0919999999E-7 0.000001139 0.000002546 0.0000056929999999 0.00001273 0.00002846 129298-91-5 9930932 144213744 Ac D TNP-470 C[C@@]1(O[C@@H]1C\C=C(\C)C)[C@H]3[C@H](OC)[C@H](OC(=O)NC(=O)CCl)CC[C@@]23CO2 Tox21_303433 -NCGC00257279-01 196718614 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -19.09171262 -2 -21.09171262 4.9549173134 0.6149163412 0.0869203146 -2.56213256 -6.1148248 0.96457551 -7.04450128 -1.60020531 -2.42125221 2.39231484 2.00688948 -4.10169632 -0.0492921 0.34970369 -3.88019458 -5.58147794 -0.3518069 -16.74309385 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1085-12-7 14138 144213768 A A Heptylparaben Oc1ccc(cc1)C(=O)OCCCCCCC Tox21_303458 -NCGC00090962-05 196706783 tox21-ror-cho-viability-p1 set1 4 0.04543372 -3.61152145 2.65717625 1.82579219 -0.85537605 0.424559 -2.76992911 0.29621845 -1.95708933 9.43349243 -0.23942645 -0.17969209 -3.80843949 -5.00116136 -1.66648341 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00259656-01 196705965 tox21-ror-cho-viability-p1 set1 4 4.86650371 3.48400287 8.9024136 8.67654327 3.78578141 0.30928277 2.02536027 0.14840395 -9.29242436 7.26235549 1.88811837 3.24026655 0.11711377 1.97574495 3.75916173 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018399999999 0.00004115 0.000092019999999 51-17-2 5798 144209305 A A Benzimidazole c1cccc2ncnc12 Tox21_202107 -NCGC00259763-01 196705972 tox21-ror-cho-viability-p1 set1 4 -12.97045781 -5.71458133 -14.90280948 -12.43221781 -1.18722541 -5.86156945 0.01061146 -6.28016086 -4.65278901 -15.04278045 -11.99016527 -14.79282742 -14.17328403 -5.0811309 -4.10117428 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.00004117 0.000092069999999 19438-61-0 88069 144209412 A A 4-Methylphthalic anhydride Cc1ccc2C(=O)OC(=O)c2c1 Tox21_202214 -NCGC00259567-01 196706368 tox21-ror-cho-viability-p1 set1 4 26.5027163452 -7.852222572 3 -4.852222572 4.9549173134 0.3934326666 0.2987698862 -2.17062089 1.82946836 4.85326897 6.23217976 0.00385662 1.45645382 2.02754674 2.88284434 3.02093091 6.08889896 3.07110146 5.22202636 2.37437334 -4.04351881 -0.06577947 1.1509999999E-9 2.575E-9 5.757E-9 1.2869999999E-8 2.879E-8 6.437E-8 1.4389999999E-7 3.218E-7 7.197E-7 0.000001609 0.0000035979999999 0.0000080459999999 0.00001799 0.000040229999999 0.000089959999999 1570-64-5 14855 144209216 A A 4-Chloro-2-methylphenol Cc1cc(Cl)ccc1O Tox21_202018 -NCGC00259080-01 196706787 tox21-ror-cho-viability-p1 set1 -3 59.7035328925 -46.1210438774 -0.167069003 -46.2881128804 3.9899729863 0.97424207 2.042E-7 2.81605906 2.30925087 0.09758084 -0.99498916 0 0.17077954 -0.01920027 0.9283192 -0.1894087 0 -3.09425798 -2.00981161 -3.38167981 -7.81225193 -38.85463097 1.157E-9 2.5879999999E-9 5.7869999999E-9 1.2939999999E-8 2.894E-8 6.471E-8 1.447E-7 3.235E-7 7.234E-7 0.000001618 0.000003617 0.000008088 0.000018089999999 0.00004044 0.00009043 82657-04-3 5281872 144208728 A A Bifenthrin Cl\C(=C/C3C(C(=O)OCc2cccc(c1ccccc1)c2C)C3(C)C)C(F)(F)F Tox21_201530 -NCGC00259650-01 196706792 tox21-ror-cho-viability-p1 set1 4 1.7667897 -5.50989579 1.23292342 -1.2455951 0.61304634 0.73584211 0.87561212 0.22740769 -11.81548779 1.08427289 0.22059308 0.88184812 -1.6160256 -1.03145896 -8.86412951 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.000091989999999 112-00-5 8152 144209299 A A Dodecyltrimethylammonium chloride [Cl-].C[N+](C)(C)CCCCCCCCCCCC Tox21_202101 -NCGC00259334-01 196706797 tox21-ror-cho-viability-p1 set1 4 9.8068945723 -17.8040499639 3.5 -14.3040499639 2.4063783767 0.5833738495 0.1089994485 6.30927026 2.97825171 3.51411025 0.88484639 2.003102 0.6569925 1.22257775 1.27718577 0.88209783 19.31604062 -7.06668062 0.24247832 -15.63216851 -7.9170294 -17.75337497 1.1919999999E-9 2.6649999999E-9 5.96E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.332E-7 7.45E-7 0.0000016659999999 0.000003725 0.000008329 0.00001862 0.000041649999999 0.00009312 94-26-8 7184 144208983 A A Butylparaben Oc1ccc(cc1)C(=O)OCCCC Tox21_201785 -NCGC00258478-01 196702237 tox21-ror-cho-viability-p1 set1 4 -8.04956765 1.76587988 -1.50114557 -2.14482573 -10.30308596 2.28349876 -0.59819676 -2.90700066 -3.61754498 2.44819353 1.53155744 5.15871517 -4.35929613 -3.55983405 -2.67920061 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041229999999 0.00009218 67-52-7 6211 144208122 A Barbituric acid O=C1CC(=O)NC(=O)N1 Tox21_200924 -NCGC00258384-01 196701824 tox21-ror-cho-viability-p1 set1 4 0.20575562 1.1859633 0.16950793 -0.12528943 2.07421028 0.56020277 2.19583434 4.63541389 6.33584312 -5.09687414 4.74464829 2.85075224 1.981575 4.02903134 1.00304543 1.195E-9 2.6729999999E-9 5.9769999999E-9 1.337E-8 2.989E-8 6.683E-8 1.494E-7 3.341E-7 7.4709999999E-7 0.000001671 0.000003736 0.000008353 0.000018679999999 0.00004177 0.00009339 53-96-3 5897 144208028 A A 2-Acetylaminofluorene CC(=O)Nc1ccc2c3ccccc3Cc2c1 Tox21_200830 -NCGC00258633-01 196701827 tox21-ror-cho-viability-p1 set1 4 77.2719803999 -20.5926772959 2 -18.5926772959 4.9549173134 0.4634695895 0.2120987974 3.92273185 6.55056317 -3.68721594 1.26462623 8.68981439 1.57581381 7.90322595 -1.32008545 -6.06652243 1.38911227 -0.1515412 1.38004409 5.513504 1.98363086 -12.57723108 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 574-06-1 95416 144208278 A A Benzoin acetate CC(=O)OC(C(=O)c1ccccc1)c2ccccc2 Tox21_201080 -NCGC00257704-01 196701829 tox21-ror-cho-viability-p1 set1 4 1.41447659 4.28002983 0.68568488 7.52287134 0.74711418 2.31193284 7.77182209 2.78537594 5.04201404 3.47808506 -2.02066196 1.7836643 4.61905462 0.13339273 0.06308369 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.315E-8 2.94E-8 6.573E-8 1.4699999999E-7 3.2869999999E-7 7.3489999999E-7 0.000001643 0.000003674 0.0000082159999999 0.00001837 0.00004108 0.000091859999999 102-09-0 7597 144207348 A B Diphenylcarbonate O=C(Oc1ccccc1)Oc2ccccc2 Tox21_200150 -NCGC00091532-04 196702241 tox21-ror-cho-viability-p1 set1 -2.2 27.6395842712 -40.963460124 3.084402783 -37.879057341 1.4780888099 0.8471634881 0.0024509751 5.01225639 1.20753572 -0.64708938 7.85304466 0.96421477 -0.04447606 6.78150342 2.3431927 10.70707018 -5.20390254 1.9393137 -0.59712698 -16.68399209 -15.20400331 -37.60487416 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00163930-04 196702246 tox21-ror-cho-viability-p1 set1 4 1.65408539 -0.17011141 0.35742337 1.36891648 2.73002949 7.10267511 6.30048908 0.15614189 1.66284433 3.86051361 4.50185366 3.33850964 2.82979443 -0.56598553 -0.41815023 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00256909-01 196727110 tox21-ror-cho-viability-p1 set3 4 54.4826732819 16.2092358759 -3.2092358759 13 2.2481167061 0.52956191 0.1532792489 -1.95252398 0.17745709 2.44985022 2.55812789 -6.10536132 -3.74496245 -5.37868609 -5.97840567 -7.67436323 -3.94397375 -1.2038518 -7.13218653 0.01132897 2.2542532 9.40405977 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-73-6 31227 144213935 A Ac Benzyl 3-methylbutyl ether CC(C)CCOCc1ccccc1 Tox21_303630 -NCGC00257236-01 196727522 tox21-ror-cho-viability-p1 set3 4 0.8866472 3.28101402 0.6039551 -1.17251361 -0.96441879 2.21949252 1.27397915 -3.44786842 -0.71914446 3.40941221 2.80012712 0.61895183 -2.87575415 0.50157028 3.52437569 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 769-92-6 69861 144213670 A Ac 4-tert-Butylaniline CC(C)(C)c1ccc(N)cc1 Tox21_303353 -NCGC00260563-01 196724255 tox21-ror-cho-viability-p1 set3 1.4 0.0053080386 17.4487271799 -13.4487271799 4 0.9999999999 0.8332009129 0.0054264865 -13.70727265 -6.15817866 -8.43028013 -5.29625806 0.54006463 2.80006506 2.22807816 2.63817418 6.49672575 0.40110281 0.97755995 8.16177176 5.51340653 1.3880628 -2.05077446 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49459 144210216 M M NTP Mix71 CT1 62-EQP Tox21_203018 -NCGC00260091-01 196724260 tox21-ror-cho-viability-p1 set3 4 76.2549909905 -28.9486628399 -0.5 -29.4486628399 4.9549173134 0.6315057863 0.0754920492 -7.72352301 3.6393959 0.55908903 6.1573604 0.70636528 2.9440406 -5.63507648 -5.61432902 4.904061 -2.80258717 -4.39227452 -2.897976 4.78863494 0.44460493 -22.8738857 1.171E-9 2.617E-9 5.8529999999E-9 1.3089999999E-8 2.926E-8 6.543E-8 1.463E-7 3.2719999999E-7 7.316E-7 0.0000016359999999 0.000003658 0.0000081789999999 0.00001829 0.0000409 0.00009145 1271-19-8 5284468 144209740 Fns Titanocene dichloride [Cl-].[Cl-].C=2CC([Ti+2]C1=CC=CC1)=CC=2 Tox21_202542 -NCGC00260255-01 196724028 tox21-ror-cho-viability-p1 set3 4 -5.47157314 3.47303124 0.79262245 1.23633418 -4.91780435 -2.55900728 4.35959617 2.50290483 -3.7390712 -3.81929663 -0.91472301 -0.82959924 -2.41311961 -1.91944009 -6.64075352 1.196E-9 2.6749999999E-9 5.982E-9 1.338E-8 2.9909999999E-8 6.689E-8 1.496E-7 3.344E-7 7.478E-7 0.0000016719999999 0.0000037389999999 0.000008361 0.00001869 0.000041799999999 0.00009347 608140-09-6 16719897 144209905 D 1-Methyl-1-propylpyrrolidinium bromide [Br-].C[N+]1(CCC)CCCC1 Tox21_202707 -NCGC00259721-01 196721180 tox21-ror-cho-viability-p1 set3 4 15.199280647 6.5486870879 -6.0486870879 0.5 4.9549173134 0.4088903191 0.2829226799 -5.31304959 -6.48921145 -6.14778444 -0.51037206 -5.50602773 -9.12953758 -3.44941805 -8.9381627 -4.72602232 -8.3699718 -5.61180829 -10.45723924 -0.44564144 0.10757676 -4.30101792 1.1699999999E-9 2.6159999999E-9 5.851E-9 1.3079999999E-8 2.925E-8 6.5409999999E-8 1.463E-7 3.271E-7 7.3129999999E-7 0.000001635 0.000003657 0.000008176 0.00001828 0.00004088 0.00009141 24851-98-7 102861 144209370 A A Methyl dihydrojasmonate COC(=O)CC1CCC(=O)C1CCCCC Tox21_202172 -NCGC00090702-02 196720779 tox21-ror-cho-viability-p1 set3 4 -1.43277416 1.58782329 6.30608134 7.57419568 3.14016892 0 4.66954786 -2.62483603 6.00217244 -1.41491681 -1.16218622 5.59146244 6.76422381 5.31170972 3.08443948 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00254680-01 196720782 tox21-ror-cho-viability-p1 set3 4 -6.89542585 -8.05277995 2.03502773 -5.80390431 -5.63803961 -0.6500775 4.10340064 -1.32802723 -6.91755183 0.09175457 -1.53088188 -0.72811049 -1.00858357 0.10855335 1.85681531 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.481E-7 3.311E-7 7.4029999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 0.0002069 60-35-5 178 144211093 A A Acetamide CC(N)=O Tox21_300776 -NCGC00259206-01 196721176 tox21-ror-cho-viability-p1 set3 4 1.83808751 -4.14217958 -1.77593216 -4.83666316 3.89788507 -4.175638 -5.32513017 -2.47597382 -4.50247916 -2.57412694 -3.66843843 -2.72113178 0.31371421 -0.93744675 -2.54842649 1.146E-9 2.562E-9 5.7289999999E-9 1.281E-8 2.865E-8 6.405E-8 1.4319999999E-7 3.203E-7 7.1609999999E-7 0.000001601 0.0000035809999999 0.000008007 0.000017899999999 0.00004003 0.00008952 134-20-3 8635 144208855 A A Methyl 2-aminobenzoate Nc1ccccc1C(=O)OC Tox21_201657 -NCGC00259873-01 196721183 tox21-ror-cho-viability-p1 set3 -2.1 61.4415298105 -106.1138210635 -3.428613475 -109.5424345385 3.1924983358 0.9693233525 5.507E-7 -5.21041945 0.47459403 -1.56292186 7.34769464 -3.92040958 -7.57198325 -6.61746307 -6.42398076 -7.69197081 -1.51303653 -6.34244423 -6.0756671 -5.2823654 -26.60844792 -86.93844011 1.185E-9 2.6499999999E-9 5.9249999999E-9 1.325E-8 2.962E-8 6.6239999999E-8 1.481E-7 3.312E-7 7.406E-7 0.000001656 0.0000037029999999 0.0000082799999999 0.00001852 0.0000414 0.00009258 27193-28-8 62530 144209522 A A (1,1,3,3-Tetramethylbutyl)phenol Oc1ccccc1C(C)(C)CC(C)(C)C Tox21_202324 -NCGC00258962-01 196721195 tox21-ror-cho-viability-p1 set3 4 23.6944684611 13.7996253959 -5.7996253959 8 4.9549173134 0.7524934969 0.0188585401 -7.41390172 -5.60982504 -3.97809408 1.39913335 -6.40163474 -8.99968783 -8.02908566 -5.51272084 -8.03367745 -2.9209157 -6.55449294 -4.26678724 -4.15930011 8.73325978 6.45238713 1.154E-9 2.5809999999E-9 5.77E-9 1.29E-8 2.885E-8 6.451E-8 1.443E-7 3.226E-7 7.213E-7 0.0000016129999999 0.000003606 0.000008064 0.00001803 0.00004032 0.000090159999999 95-80-7 7261 144208609 A A 2,4-Diaminotoluene Nc1cc(N)c(C)cc1 Tox21_201411 -NCGC00258942-01 196721199 tox21-ror-cho-viability-p1 set3 4 -6.38366707 -0.23927666 -3.30902163 10.77490203 -4.65582091 -5.15618975 -4.84258287 -5.23464405 -6.17506642 -1.1019447 -5.0449478 -5.63984432 -1.39291494 4.76148228 -2.21713436 1.1739999999E-9 2.625E-9 5.87E-9 1.3129999999E-8 2.9349999999E-8 6.5629999999E-8 1.468E-7 3.281E-7 7.338E-7 0.000001641 0.000003669 0.000008204 0.00001834 0.00004102 0.00009172 94-20-2 2727 144208589 A A Chlorpropamide O=S(=O)(NC(=O)NCCC)c1ccc(Cl)cc1 Tox21_201391 -NCGC00259261-01 196721581 tox21-ror-cho-viability-p1 set3 4 21.6899429044 12.8736879039 -7.3736879039 5.5 1.4487170999 0.5745231611 0.1164270854 -14.89473992 -12.1873081 -3.10761309 -3.45267385 -7.91864883 -8.24535822 -4.99074595 -6.64918128 -7.09370512 -3.0670711 -5.23583674 -4.53556628 -3.55358513 3.43404537 3.90394677 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004124 0.00009223 1445-75-6 3073 144208910 A Diisopropyl methylphosphonate CP(=O)(OC(C)C)OC(C)C Tox21_201712 -NCGC00259866-01 196721585 tox21-ror-cho-viability-p1 set3 4 -6.39209646 0.17765111 1.58011612 7.86769822 -2.00251941 -2.74103088 -5.54217239 -5.36295042 -5.40118294 -0.19422998 -2.77934616 -5.54447922 -3.22283948 -1.92096645 6.76293108 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-80-9 289 144209515 A A Catechol Oc1ccccc1O Tox21_202317 -NCGC00259610-01 196721595 tox21-ror-cho-viability-p1 set3 4 -4.28613318 -7.18778012 -0.50117525 -3.64562014 -2.58124555 -4.73523399 -1.55955918 -9.62952983 -2.71549162 0.04126938 -2.10861505 -10.05009258 -2.49375608 -2.60326703 -0.06171458 1.2069999999E-9 2.6979999999E-9 6.033E-9 1.349E-8 3.017E-8 6.745E-8 1.5079999999E-7 3.373E-7 7.541E-7 0.0000016859999999 0.0000037709999999 0.000008432 0.00001885 0.000042159999999 0.000094269999999 57837-19-1 42586 144209259 A A Metalaxyl CC(N(C(=O)COC)c1c(C)cccc1C)C(=O)OC Tox21_202061 -NCGC00259338-01 196721600 tox21-ror-cho-viability-p1 set3 4 -7.13810584 -7.2575186 -2.09885086 -2.80612422 0.47578158 -4.82704588 -6.54675304 -5.72158826 -3.30942544 -0.81120468 -3.65344195 -6.85023137 -4.17113566 -2.44460168 -1.68747226 1.188E-9 2.656E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.639E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.000003712 0.000008299 0.00001856 0.0000415 0.00009279 91-44-1 7050 144208987 A A 7-Diethylamino-4-methylcoumarin CCN(CC)c1ccc2c(c1)OC(=O)C=C2C Tox21_201789 -NCGC00259815-01 196721984 tox21-ror-cho-viability-p1 set3 -2.4 68.6593799697 -35.2264337159 1.5 -33.7264337159 4.0949729863 0.9156087426 0.0001368223 1.2129774 6.26400031 6.17401919 -0.71487434 -0.65195686 0.06717 -0.27349252 0.43546525 1.97841216 0.88431553 1.91109172 0.41652108 0.7415519 -2.16492922 -25.60536143 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.0000036909999999 0.000008252 0.000018449999999 0.000041259999999 0.00009226 1083-27-8 14127 144209464 A A Hexylparaben Oc1ccc(cc1)C(=O)OCCCCCC Tox21_202266 -NCGC00256501-01 196719044 tox21-ror-cho-viability-p1 set2 4 -1.35997645 1.04381858 -1.86256386 2.00690646 -0.03559137 -0.58940791 0.97504198 7.02680212 4.57363478 1.91708752 5.17016321 4.18910391 -0.11086761 3.40895358 -1.29598934 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 609-20-1 11860 144213233 A A 2,6-Dichloro-1,4-benzenediamine Clc1cc(N)cc(Cl)c1N Tox21_302916 -NCGC00259592-01 196721107 tox21-ror-cho-viability-p1 set3 4 -5.71084978 -7.16781862 -0.97825249 1.65412919 -6.47737029 -6.26474679 -5.86373272 -6.36229728 -5.88066406 -1.8509985 -6.38314817 -4.3402873 -5.95506196 -4.50000189 -1.6648458 1.1449999999E-9 2.56E-9 5.724E-9 1.28E-8 2.8619999999E-8 6.4E-8 1.431E-7 3.2E-7 7.155E-7 0.0000016 0.000003578 0.000008 0.00001789 0.000039999999999 0.00008944 27314-13-2 33775 144209241 A A Norflurazon FC(F)(F)c1cc(ccc1)N2N=CC(NC)=C(Cl)C2=O Tox21_202043 -NCGC00260012-01 196721904 tox21-ror-cho-viability-p1 set3 4 -7.45568389 -6.5696094 -5.87259342 -4.27725302 -3.84977083 -2.87281942 -13.49196233 -4.90184942 -4.71150093 -1.21889654 -5.64746068 -8.49151236 -2.09776706 -6.69587772 -6.14486008 1.163E-9 2.5999999999E-9 5.8139999999E-9 1.2999999999E-8 2.9069999999E-8 6.501E-8 1.454E-7 3.25E-7 7.268E-7 0.000001625 0.000003634 0.000008126 0.00001817 0.00004063 0.000090849999999 78-40-0 6535 144209661 A A Triethyl phosphate CCOP(=O)(OCC)OCC Tox21_202463 -NCGC00257511-01 196719054 tox21-ror-cho-viability-p1 set2 4 21.6899429044 -13.0815483999 0.5 -12.5815483999 4.0949729863 0.8327328164 0.003716696 -2.74799903 0.31242463 0.29386474 -0.25040102 -0.09644475 -1.1746658 4.77931048 4.86052511 -1.40117257 -0.12947577 0.5963975 0.45564751 -3.79633024 -11.64433214 -12.567957 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10161-33-8 25015 144213956 A A 17beta-Trenbolone O=C3C=C4CC[C@@H]1C(C=C[C@]2(C)[C@@H](O)CC[C@@H]12)=C4CC3 Tox21_303654 -NCGC00257348-01 196719049 tox21-ror-cho-viability-p1 set2 4 0.21461764 0.66431216 -0.27160056 2.56974462 -8.99829322 -5.46879048 1.33467339 -5.05729244 -9.40652703 -4.29035526 -4.07091333 1.59414534 -0.3826246 -8.08189066 1.3125368 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4130-42-1 20087 144213709 A F 2,6-Di-tert-butyl-4-ethylphenol CC(C)(C)c1cc(cc(c1O)C(C)(C)C)CC Tox21_303397 -NCGC00257358-01 196719053 tox21-ror-cho-viability-p1 set2 4 4.8557733675 7.9806887159 -3.9806887159 4 4.9549173134 0.4999448126 0.1791233259 2.27261372 0.06734586 -0.17419851 0.37103832 -8.17493503 -5.97948845 -3.09282395 -7.6705091 -5.60792657 -9.15057393 -2.96541368 5.03365619 4.86421482 4.31650568 1.36131902 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 616-38-6 12021 144213895 Fns Dimethyl carbonate O=C(OC)OC Tox21_303590 -NCGC00256896-01 196719487 tox21-ror-cho-viability-p1 set2 4 -0.2073132 -2.56892147 -0.18286367 -1.34006299 0.03286219 0.09476756 4.03461139 0.2350286 0.74705177 0.10611002 5.67563364 -2.64938408 0.57722064 -1.40995546 4.18765324 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-42-2 61027 144212878 A F Butyl undec-10-enoate O=C(CCCCCCCCC=C)OCCCC Tox21_302561 -NCGC00254278-01 196719494 tox21-ror-cho-viability-p1 set3 4 19.3311819617 -21.58985122 -3 -24.58985122 1.0999999999 0.5480517109 0.1369262289 -6.01849377 -9.96542425 -1.17487028 -0.99480206 -5.35312409 -1.83177053 -0.04572643 -0.52306307 0.94022974 -3.69610694 -18.9728201 1.80471001 -14.21158589 -22.15820935 -19.18756211 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-04-8 8831 144210671 A A Diisobutyl adipate CC(C)COC(=O)CCCCC(=O)OCC(C)C Tox21_300353 -NCGC00254917-01 196719892 tox21-ror-cho-viability-p1 set3 2.4 1.9331181962 32.4611080599 -18.9611080599 13.5 0.2 0.7145498032 0.0319914987 -11.47800894 -18.71759005 -8.76688864 -6.99232365 -9.98428753 -6.45245473 -1.80962821 -9.01528077 -3.4102893 -6.57667647 -2.50658185 0.38447024 -1.72181038 -0.45857574 8.73612765 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10361-37-2 25204 144211332 Barium chloride Cl[Ba]Cl Tox21_301015 -NCGC00253941-01 196719898 tox21-ror-cho-viability-p1 set3 4 0.0024336516 15.2578326479 -17.2578326479 -2 0.9999999999 0.5155692538 0.1820342508 -12.71486054 -11.79748505 -3.41721484 0.1618575 -10.15690443 -2.48903537 -3.66768545 -2.87942026 1.30608631 -4.67233822 1.09735511 -2.47826018 0.07445198 -5.44106837 -6.73239291 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1143-38-0 2202 144210610 FNS Anthralin Oc2cccc1Cc3cccc(O)c3C(=O)c12 Tox21_300290 -NCGC00254592-01 196719904 tox21-ror-cho-viability-p1 set3 4 -8.63279849 -12.87997898 -5.42855757 2.4480773 -2.01687765 -7.71471669 -1.57785725 -0.78352972 -5.03497272 -5.04910896 -1.16077752 1.51190286 1.37640402 -7.09950491 -20.950421 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 79983-71-4 66461 144211001 A A Hexaconazole OC(CCCC)(Cn1cncn1)c2ccc(Cl)cc2Cl Tox21_300684 -NCGC00254145-01 196719909 tox21-ror-cho-viability-p1 set3 4 1.2197151236 12.9645035361 0.0354964639 13 3.1319983358 0.4383718668 0.2518253016 9.2067806 -5.78669786 11.33801121 -7.88708628 -3.0900403 -1.41387486 8.52046835 -5.16061401 -5.33337397 15.46449036 13.96241969 13.86728579 14.18324442 5.71386551 1.97865993 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-22-9 8842 144210323 B B Citronellol C\C(C)=C\CCC(C)CCO Tox21_300003 -NCGC00254978-01 196719911 tox21-ror-cho-viability-p1 set3 -2.3 8.6349217992 -85.2789600668 8 -77.2789600668 1.1340999999 0.9582086782 0.5087125405 12.12271951 14.99857153 3.48672667 8.97191797 5.60752888 -0.35793471 8.36972181 2.9746941 3.24290465 2.58772129 -13.1853881 -43.72777953 -43.80259741 28.94507789 -75.76368634 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 133-07-3 8607 144211394 A F Folpet ClC(Cl)(Cl)SN2C(=O)c1ccccc1C2=O Tox21_301077 -NCGC00260144-01 196703070 tox21-ror-cho-viability-p1 set1 4 37.9758882209 -9.085518364 0 -9.085518364 4.9549173134 0.411052041 0.2657752038 1.19390878 0.81085869 5.17094143 -3.73478496 0.27273069 -1.25876888 -3.6866395 0.14371171 0.07604986 0.72006819 0.68425772 -1.35000164 0.86929123 -0.1573108 -6.73793197 5.9509999999E-10 1.3309999999E-9 2.9759999999E-9 6.6539999999E-9 1.488E-8 3.327E-8 7.4389999999E-8 1.663E-7 3.719E-7 8.3169999999E-7 0.00000186 0.000004158 0.0000092989999999 0.00002079 0.00004649 59536-65-1 158629 144209794 F F Polybrominated biphenyls (PBB) Brc2ccc(c1cc(Br)c(Br)c(Br)c1)c(Br)c2Br Tox21_202596 -NCGC00259506-01 196708465 tox21-ror-cho-viability-p1 set2 4 -0.36828468 -0.75555374 1.57272142 -1.40333731 2.11850978 1.08522223 -0.69107654 -0.51449491 1.45608125 0.29563093 1.26134639 2.96110023 0.48088917 5.92926684 1.62100052 1.158E-9 2.5879999999E-9 5.7879999999E-9 1.2939999999E-8 2.894E-8 6.471E-8 1.447E-7 3.235E-7 7.235E-7 0.000001618 0.000003617 0.000008089 0.000018089999999 0.00004044 0.00009043 124-17-4 31288 144209155 A A 2-(2-Butoxyethoxy)ethyl acetate CCCCOCCOCCOC(C)=O Tox21_201957 -NCGC00258992-01 196708863 tox21-ror-cho-viability-p1 set2 4 0.49236375 0.78583181 0.11584535 4.11229486 3.34879131 -1.38535235 3.02995497 1.37316251 2.56955831 -0.87500778 1.27893859 -0.28504269 6.87202911 6.36586691 2.75011661 1.198E-9 2.679E-9 5.9899999999E-9 1.339E-8 2.995E-8 6.697E-8 1.4979999999E-7 3.3489999999E-7 7.488E-7 0.0000016739999999 0.000003744 0.0000083719999999 0.000018719999999 0.000041859999999 0.000093599999999 2244-16-8 16724 144208639 A A d-Carvone CC1=CC[C@@H](CC1=O)C(C)=C Tox21_201441 -NCGC00260196-01 196703486 tox21-ror-cho-viability-p1 set1 -2.1 30.70018354 -95.4456449589 -3.407753369 -98.8533983279 1.78848746 0.9705085052 4.402E-7 2.16243729 -1.15130819 -0.93486379 -0.77060275 -8.28368759 -8.62119817 0.32487081 -0.16541678 -1.44835377 -8.52938232 -10.90544335 -17.02095436 -29.88552021 -60.26189877 -96.9150964 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.305E-7 7.3889999999E-7 0.0000016519999999 0.0000036949999999 0.000008262 0.000018469999999 0.00004131 0.00009237 404001-50-9 60196375 144209846 A A 1-Hexadecyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C[n+]1ccn(CCCCCCCCCCCCCCCC)c1 Tox21_202648 -NCGC00357080-01 196703082 tox21-ror-cho-viability-p1 set1 4 1.67500298 0.64817714 -0.2988077 -5.05725785 -0.21937978 -2.04144822 -0.20124083 -2.39916021 0 -1.64985466 -0.34381757 0.0206723 -7.05813165 0.50463488 3.06858546 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 18794-84-8 5281517 251919811 Fns trans-beta-Farnesene C/C(C)=C\CCC(\C)=C\CCC(=C)C=C Tox21_303792 -NCGC00260046-01 196703482 tox21-ror-cho-viability-p1 set1 4 -1.83708832 -0.95279501 -0.07616745 -1.75985181 2.6418676 -0.80971454 -1.38451202 -1.19897507 -0.5412672 -3.28375279 0.62047455 0.05734886 -3.12591471 2.75600229 0.51650232 2.0489999999E-10 4.581E-10 1.024E-9 2.2899999999E-9 5.1209999999E-9 1.145E-8 2.561E-8 5.726E-8 1.28E-7 2.8629999999E-7 6.4019999999E-7 0.000001431 0.000003201 0.0000071569999999 0.000016 NOCAS_33326 6537498 144209695 F F Chlorowax 500C ClC(CC(Cl)CC)C(Cl)C(Cl)C(Cl)C(C)Cl Tox21_202497 -NCGC00260463-01 196703496 tox21-ror-cho-viability-p1 set1 4 0.14476733 1.35355334 -1.49756396 -0.73652443 -1.03507703 -5.55154384 -12.92797199 -5.49943313 -1.20158214 0.64600809 -13.54231556 1.11693445 -0.5402581 -6.22758393 3.67556337 1.2049999999E-9 2.695E-9 6.026E-9 1.348E-8 3.013E-8 6.738E-8 1.507E-7 3.3689999999E-7 7.533E-7 0.0000016839999999 0.000003766 0.000008422 0.000018829999999 0.000042109999999 0.000094159999999 420-12-2 9865 144210115 Fns Ethylene sulfide C1CS1 Tox21_202917 -NCGC00357153-01 196703503 tox21-ror-cho-viability-p1 set1 4 -0.25306108 3.17676312 0.24731218 -3.71182104 0.58898259 -0.11774191 6.29757953 4.07779943 -4.26082642 0.43147293 -5.27817684 0.90977328 3.16838385 0.60093962 2.19775215 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 643-28-7 12561 251919934 A 2-Isopropylaniline CC(C)c1ccccc1N Tox21_303899 -NCGC00016000-13 196703909 tox21-ror-cho-viability-p1 set1 -2.1 70.1970324498 -100.882181399 -14.9183559849 -115.8005373839 3.5722481694 0.896940712 0.0003736955 -6.85275488 -10.52184442 -8.33231202 -13.16538986 -6.80284485 -16.18547476 -7.18420869 -22.60049073 -27.88586629 -22.16245883 -21.87528108 -17.47938884 -16.91666992 -28.67953475 -89.3522665 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00024777-04 196704317 tox21-ror-cho-viability-p1 set1 4 2.79940701 -0.66541737 6.3312071 0.04768755 1.55741088 -2.08035987 0.05172462 0.10661965 3.39037232 3.32858347 4.13390252 -0.27731605 1.62749262 -1.63886985 3.91179463 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 156727-74-1 123924 170466880 A SNC 80 CCN(CC)C(=O)c1ccc(cc1)[C@H](c2cc(OC)ccc2)N3C[C@@H](C)N(C[C@@H]3C)CC=C Tox21_110925_1 -NCGC00015252-12 196704333 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -10.755375844 1 -9.755375844 4.9549173134 0.5514573691 0.1363924504 0.23770892 0.91856353 -0.88927897 0.83880857 1.78050423 5.38988529 -0.6116767 1.14522895 -2.80619329 0.02075479 5.31718445 0.35281759 0.39867443 1.05516608 -8.12947987 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 129-03-3 2913 170465127 A Cyproheptadine hydrochloride CN1CC\C(CC1)=C2\c4ccccc4C=Cc3ccccc23 Tox21_110112_1 -NCGC00159553-02 196704740 tox21-ror-cho-viability-p1 set1 4 -5.38755863 -2.27402962 -3.96646846 -3.31594898 -5.72048391 -1.89740648 0.38433665 3.2944561 3.74764967 -1.56496512 2.88865468 -2.21614817 -0.23601256 -0.9911453 3.70629526 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 161605-73-8 208953 170466123 A Fanapanel O=P(O)(O)CN1c2cc(c(cc2NC(=O)C1=O)C(F)(F)F)N3CCOCC3 Tox21_111745_1 -NCGC00091313-03 196704743 tox21-ror-cho-viability-p1 set1 4 -0.11405441 0.40660584 4.16137082 2.4033743 1.53518413 0.35991436 1.08305274 -0.49000382 3.63520281 0.22080433 2.27207064 -3.27723743 0.80697886 1.92852203 -0.41936019 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 628-02-4 12332 170466213 A Hexanamide CCCCCC(N)=O Tox21_111111_1 -NCGC00259994-01 196724277 tox21-ror-cho-viability-p1 set3 4 -12.87625782 -1.58691534 -1.71298787 -10.09128898 -5.46527009 -6.46771618 1.58019868 0.46947101 -15.69257182 -5.69067895 -1.09977347 -8.96383434 -4.65101926 -2.58670354 -5.54399477 1.125E-9 2.516E-9 5.6259999999E-9 1.2579999999E-8 2.8129999999E-8 6.29E-8 1.4069999999E-7 3.1449999999E-7 7.033E-7 0.0000015729999999 0.000003516 0.000007863 0.000017579999999 0.00003931 0.000087909999999 34256-82-1 1988 144209643 A A Acetochlor ClCC(=O)N(COCC)c1c(C)cccc1CC Tox21_202445 -NCGC00021122-08 196725500 tox21-ror-cho-viability-p1 set3 2.2 5.9557173066 50.0099281815 3.1914064425 53.201334624 0.7999999999 0.8216773485 0.0070585846 -2.86765257 1.5871396 7.39641326 1.5140201 -1.46846886 9.22023582 -0.44018069 21.10853417 7.79143086 9.7286884 14.43592705 24.59280267 28.08413839 44.4805569 25.72408973 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5560-59-8 21718 170466248 A Alverine citrate O=C(O)C(O)(CC(=O)O)CC(=O)O.CCN(CCCc1ccccc1)CCCc2ccccc2 Tox21_110757_1 -NCGC00260351-01 196724669 tox21-ror-cho-viability-p1 set3 4 27.3337914917 -18.9513552 1 -17.9513552 4.9549173134 0.6060689686 0.1066253918 -6.61957716 -2.0650038 -1.84837132 -0.82221739 2.02135448 1.76668836 4.80328575 8.20158693 4.44982718 3.13995717 -1.61476612 0.83964418 -0.91004214 -15.792796 1.48511438 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.302E-7 7.3839999999E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.0000923 1450-85-7 1550489 144210003 Z Ac Pyrimidine-2-thiol S=C1N=CC=CN1 Tox21_202805 -NCGC00016737-04 196725092 tox21-ror-cho-viability-p1 set3 4 0.001333319 -9.367722668 6 -3.367722668 1.0999999999 0.6164993319 0.101123991 4.90262793 -0.33847626 -0.77857805 -1.02609734 -3.77533835 -0.35088853 -3.7751918 -2.67779355 -3.5192043 -5.884947 -2.32873489 -0.7988304 -2.5092069 -6.13976889 -0.04111678 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 18694-40-1 3242 170465827 A Epirizole Cc1cc(nc(n1)n2nc(C)cc2OC)OC Tox21_110584_1 -NCGC00093364-02 196725518 tox21-ror-cho-viability-p1 set3 2.4 1.333319023 36.4623882 1.5376118 38 0.9999999999 0.4736896417 0.2830374717 -1.6353235 2.6782503 5.49798264 0 8.31243438 0 20.27341244 0 0.14373097 11.79813359 30.63913527 18.21353899 21.28802262 11.84800699 16.02938884 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56-04-2 667493 170466508 A 6-Methyl-2-thiouracil O=C1C=C(C)NC(=S)N1 Tox21_111088_1 -NCGC00160647-02 196725920 tox21-ror-cho-viability-p1 set3 4 18.8336317891 -25.780870776 3.5 -22.280870776 2.4063783767 0.7677997792 0.0146247687 1.20024646 0.6985642 -0.4581914 0.43875622 3.80531708 -0.61739489 4.63576111 7.46378339 2.20039033 12.79844511 4.58292953 0.8097574 3.91615799 -12.4865845 -18.98405898 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2759-71-9 17693 170466836 A Cypromid O=C(Nc1cc(Cl)c(Cl)cc1)C2CC2 Tox21_111954_1 -NCGC00253760-01 196725932 tox21-ror-cho-viability-p1 set3 4 0.30618657 12.80557129 0 0 0 3.86172401 10.6940673 13.35252393 3.86044871 5.20566727 5.78774251 11.55218748 11.74139993 7.06465045 -3.61399294 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54029-12-8 83969 170466291 A A Albendazole oxide CCCS(=O)c1cc2nc(NC(=O)OC)nc2cc1 Tox21_113873 -NCGC00015073-05 196725940 tox21-ror-cho-viability-p1 set3 4 -3.75925162 -4.52164109 2.54987529 -2.39862881 -1.19942363 -3.71687485 -4.13043438 1.96010234 -4.81162162 -6.95738991 -3.34775218 -2.02451716 -2.15086862 -0.3995521 0.24155871 1.1799999999E-10 2.638E-10 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 20537-88-6 2141 170465179 F Amifostine OP(=O)(O)SCCNCCCN Tox21_110077_1 -NCGC00253575-01 196726333 tox21-ror-cho-viability-p1 set3 4 4.2163249602 19.31171812 -0.31171812 19 0.4 0.693149527 0.0413840509 1.42749937 0.8350665 -1.66006801 3.62841061 -2.7597651 1.75355177 9.67774392 -1.95100377 3.55938118 9.5488689 6.80899617 10.71109846 8.41580275 11.99772375 15.29877752 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 289893-25-0 9568077 170465602 A A Arimoclomol O[C@H](CN1CCCCC1)CO\N=C(/Cl)c2ccc[n+]([O-])c2 Tox21_113718 -NCGC00262957-01 196726342 tox21-ror-cho-viability-p1 set3 4 3.84831976 4.46336177 -0.07252914 -0.13540027 2.40207175 -1.7494306 0.07649929 2.9909505 -0.02793758 2.29490351 4.85265349 2.02662427 -2.12912055 -0.01539453 1.79269051 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 151287-22-8 216265 170466044 D F Tobicillin CC(C)C(=O)OCc4cc(OC(=O)[C@@H]2N3C(=O)[C@@H](NC(=O)Cc1ccccc1)[C@H]3SC2(C)C)ccc4 Tox21_113948 -NCGC00274058-01 196726347 tox21-ror-cho-viability-p1 set3 4 -1.76873514 2.63559333 -0.61120022 2.27679533 -3.39197433 0.30856486 5.68470361 2.80001709 5.24769404 4.03751051 1.97468707 5.71151446 2.17642903 -3.43769114 2.0558263 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 465-65-6 5284596 170465008 A Naloxone O=C1CC[C@@]5(O)[C@H]2Cc4ccc(O)c3O[C@@H]1[C@]5(CCN2CC=C)c34 Tox21_112006_1 -NCGC00167537-02 196726353 tox21-ror-cho-viability-p1 set3 2.4 47.307944147 46.0021944055 3.6296842 49.6318786055 0.7999999999 0.5609832175 0.1263552062 -0.3085965 0.13549219 1.31635557 9.35531816 6.10852127 6.54427421 8.70369583 11.23656313 10.16411458 9.80505703 11.04181719 0.17166383 3.95529753 15.68784508 37.62210982 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 120011-70-3 5741 170464858 A Donepezil hydrochloride Cl.COc1cc2C(=O)C(Cc2cc1OC)CC4CCN(Cc3ccccc3)CC4 Tox21_112534_1 -NCGC00016000-13 196726757 tox21-ror-cho-viability-p1 set3 -1.2 0.4429133318 -35.0117838503 -1.093480972 -36.1052648223 2.3331733767 0.9718367092 0.0000010822 -1.14891357 0.16002284 -0.62266679 -6.69903797 1.20111758 1.48549044 -6.54526459 -11.78482675 -30.80272748 -36.53180997 -37.10962438 -33.30819073 -32.11147563 -39.44931928 -1.39363052 1.203E-9 2.6909999999E-9 6.0159999999E-9 1.345E-8 3.0079999999E-8 6.726E-8 1.504E-7 3.3629999999E-7 7.52E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.000094 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00018221-08 196722802 tox21-ror-cho-viability-p1 set3 4 8.9095807 0.84591821 1.63544842 4.26342035 5.00253951 0.89790437 9.35193848 0.3789018 10.69941542 12.53955793 6.37956235 2.75205033 4.69797083 1.18179621 -2.49511313 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00262965-01 196722385 tox21-ror-cho-viability-p1 set3 4 0.2371013766 -5.6110900519 0 -5.6110900519 4.9549173134 0.3122619355 0.3565500855 3.98186845 -0.78373884 -2.26455775 -0.1826034 0.90681486 -0.42991923 -2.29788821 0.18154987 -6.70903912 -2.71808233 -3.70349635 -15.50924171 -0.91468034 1.51958677 -12.20629218 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 18174-58-8 28931 170466482 A A Pipoxolan hydrochloride Cl.O=C2OC(CCN1CCCCC1)OC2(c3ccccc3)c4ccccc4 Tox21_113956 -NCGC00159449-04 196722394 tox21-ror-cho-viability-p1 set3 4 33.4914596268 -21.895815984 -2 -23.895815984 2.2526478767 0.5172892864 0.1635348376 -1.27298252 -1.44062981 0 -12.30615216 0 -7.14687362 0 -5.09189703 0.83604949 -2.11595527 0.2764501 -0.37988115 -7.06598322 -4.31348044 -18.24651332 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82-99-5 11061 170466519 A Thiphenamil CCN(CC)CCSC(=O)C(c1ccccc1)c2ccccc2 Tox21_111675_1 -NCGC00091616-03 196722799 tox21-ror-cho-viability-p1 set3 4 -5.60369278 1.18569222 3.78565886 -5.75828128 -3.11636646 -4.49291668 0 -12.14705176 2.76782517 0.92424772 2.63500556 2.46733291 -2.31836321 0.31949178 8.73801075 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 938-73-8 3282 170465775 A 2-Ethoxybenzamide CCOc1ccccc1C(N)=O Tox21_111156_1 -NCGC00247724-01 196722803 tox21-ror-cho-viability-p1 set3 4 0.5970353289 17.256852832 -21.256852832 -4 0.9999999999 0.4034308743 0.2386748522 -37.17536829 -0.93994613 -26.91954691 -37.1622956 -17.06142541 -24.00007978 -14.75049541 -19.72109607 -6.11534972 -7.75573133 -9.34256839 -8.24284766 -7.9589591 -7.98941674 0.77468242 1.157E-9 2.587E-9 5.784E-9 1.293E-8 2.892E-8 6.466E-8 1.446E-7 3.2329999999E-7 7.229E-7 0.000001617 0.000003615 0.000008083 0.000018069999999 0.000040409999999 0.00009037 487-93-4 10257 144206443 Z Z Bufotenine CN(C)CCc2cnc1ccc(O)cc12 Tox21_112890 -NCGC00091284-03 196722806 tox21-ror-cho-viability-p1 set3 -2.4 61.130564862 -35.07363906 2 -33.07363906 2.3531167061 0.7844254193 0.010853745 10.84412797 2.77774328 5.21318599 1.34599162 -0.86002172 3.12897882 -0.21530542 1.66935169 2.94979806 2.43941417 -0.88349116 1.06674396 -6.99606892 -3.9116608 -24.22803255 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00015252-12 196722807 tox21-ror-cho-viability-p1 set3 4 0.0053080386 33.898623056 -25.398623056 8.5 0.4 0.5915015841 0.1172349729 -17.35234775 -15.4254631 3.95231675 -20.33218588 -3.28246385 0 0 -2.18589792 -2.80098191 9.36383249 12.38524008 10.39737314 4.37110807 2.85217574 -8.06988806 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 129-03-3 2913 170465127 A Cyproheptadine hydrochloride CN1CC\C(CC1)=C2\c4ccccc4C=Cc3ccccc23 Tox21_110112_1 -NCGC00247701-01 196722811 tox21-ror-cho-viability-p1 set3 1.4 1.3220342144 25.9491542679 -12.9491542679 13 3.0654483358 0.8719488501 0.0010757992 -11.39342917 -13.19199385 -14.63190389 -19.54096189 -11.73326416 0 -13.15650166 -14.82279217 -14.21186418 11.31672456 12.71757524 13.46663753 10.37360191 9.95923337 14.97509669 1.389E-9 3.105E-9 6.943E-9 1.552E-8 3.471E-8 7.7619999999E-8 1.736E-7 3.881E-7 8.678E-7 0.000001941 0.000004339 0.0000097029999999 0.0000217 0.000048509999999 0.0001085 74341-83-6 60196328 144206405 A D 1-(1,3-Benzodioxol-5-yl)-N-hydroxypropan-2-amine hydrochloride Cl.CC(NO)Cc1ccc2OCOc2c1 Tox21_112852 -NCGC00259554-01 196721212 tox21-ror-cho-viability-p1 set3 4 0.0390419505 -5.3924239159 1 -4.3924239159 4.9549173134 0.3826856519 0.3068052997 -5.3017622 -1.28952638 2.59113284 7.7700177 -0.7577798 -3.52445326 -4.89022781 -5.16016052 -6.1423799 -4.27709216 -6.57701993 -3.59525151 -2.89313883 -0.40310223 0.40515792 1.1919999999E-9 2.6659999999E-9 5.962E-9 1.333E-8 2.981E-8 6.6659999999E-8 1.491E-7 3.3329999999E-7 7.4529999999E-7 0.0000016669999999 0.000003726 0.000008333 0.00001863 0.00004166 0.00009316 56-38-2 991 144209203 A A Parathion S=P(Oc1ccc(cc1)[N+]([O-])=O)(OCC)OCC Tox21_202005 -NCGC00254737-01 196720806 tox21-ror-cho-viability-p1 set3 1.4 0.0038570779 19.759722912 -0.759722912 19 4.9549173134 0.6579560461 0.120992296 0.82459304 -0.21643576 20.18861074 24.26882671 15.6309185 15.5820619 18.55271398 12.91882053 19.3670716 12.15656396 30.36382619 15.12183551 12.30302355 5.99677593 1.50500609 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 42509-80-8 39223 144211150 A A Isazofos CC(C)n1nc(OP(=S)(OCC)OCC)nc1Cl Tox21_300833 -NCGC00253970-01 196720819 tox21-ror-cho-viability-p1 set3 4 0.0061130565 13.320941564 -15.320941564 -2 0.5 0.5018306835 0.1946966859 -9.19175408 -14.43411797 -6.01578365 -3.42766191 -9.90924533 -7.3588911 -5.62685409 -1.6075645 -1.9800751 -1.44734882 2.05462053 -3.82270632 -3.24294816 -6.12392703 -26.88988499 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 742693-38-5 9954540 144210554 A C SSR504734 FC(F)(F)c3cccc(C(=O)N[C@H]([C@@H]1CCCCN1)c2ccccc2)c3Cl Tox21_300234 -NCGC00259345-01 196721927 tox21-ror-cho-viability-p1 set3 4 0.0155115913 14.159996676 -11.659996676 2.5 0.2 0.3979217076 0.2763434398 -5.97137926 -8.04999723 -7.83440549 2.50527638 -5.0363716 -2.76022532 -5.55023735 -1.25348454 -3.56735192 1.71314931 -1.70068985 -3.73862563 -1.76773402 1.08435578 1.99194806 1.19E-9 2.6619999999E-9 5.951E-9 1.331E-8 2.976E-8 6.654E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.00000372 0.000008317 0.0000186 0.00004159 0.000092989999999 1114-71-2 14215 144208994 A A Pebulate O=C(SCCC)N(CCCC)CC Tox21_201796 -NCGC00259883-01 196721137 tox21-ror-cho-viability-p1 set3 4 -5.96023135 -2.43100377 -1.17902812 0.82837715 -3.05498713 -4.92418022 -4.14097915 -2.63300064 -2.43748825 -0.45273007 -4.01300326 -4.78487335 -3.9951453 2.55908271 3.46132778 1.14E-9 2.548E-9 5.698E-9 1.2739999999E-8 2.849E-8 6.371E-8 1.4249999999E-7 3.185E-7 7.123E-7 0.0000015929999999 0.000003561 0.000007963 0.000017809999999 0.00003982 0.000089029999999 924-16-3 13542 144209532 I A N-Nitrosodibutylamine CCCCN(CCCC)N=O Tox21_202334 -NCGC00259894-01 196721539 tox21-ror-cho-viability-p1 set3 -1.2 27.1394921295 -27.3468056959 -4 -31.3468056959 4.9549173134 0.8930290706 0.0004507483 -4.96089035 -1.23794251 -1.73105239 5.04853011 -5.0908722 -6.61977425 -7.20053143 -5.50736747 -7.26455182 -5.24616971 -6.25902488 -3.65640333 -5.32957066 -29.09160328 -31.12233808 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003667 0.000008201 0.00001834 0.000041 0.00009169 123-31-9 785 144209543 A A Hydroquinone Oc1ccc(O)cc1 Tox21_202345 -NCGC00259282-01 196721544 tox21-ror-cho-viability-p1 set3 4 30.9184864367 12.393447228 -2.393447228 10 4.9549173134 0.7094556956 0.0342612639 -4.60234482 1.03430628 -0.00753772 2.1039311 -1.37370523 -4.69824941 -6.57787269 -3.64980971 -3.27890249 0.28920796 -3.14130049 -1.71347764 -4.57424985 9.43352345 8.93098758 1.189E-9 2.6589999999E-9 5.946E-9 1.3289999999E-8 2.973E-8 6.647E-8 1.486E-7 3.3239999999E-7 7.4319999999E-7 0.000001662 0.000003716 0.000008309 0.000018579999999 0.000041549999999 0.0000929 2489-77-2 2779938 144208931 A A 1,1,3-Trimethyl-2-thiourea CN(C)C(=S)NC Tox21_201733 -NCGC00259707-01 196721934 tox21-ror-cho-viability-p1 set3 -1.2 4.593101283 -26.2501620511 -0.5 -26.7501620511 3.9899729863 0.8998193302 0.0003249751 -2.78278741 0.81917446 -3.57382671 4.805814 -1.31427103 -5.107858 3.79081525 -2.79574535 1.25986484 -2.3369242 -8.2863006 -25.32732245 -34.63558547 -26.86697223 -19.47877337 1.2399999999E-9 2.772E-9 6.198E-9 1.386E-8 3.099E-8 6.929E-8 1.549E-7 3.4649999999E-7 7.747E-7 0.0000017319999999 0.000003874 0.000008662 0.00001937 0.00004331 0.00009684 57-13-6 1176 144209356 Ac Urea NC(N)=O Tox21_202158 -NCGC00259069-01 196721949 tox21-ror-cho-viability-p1 set3 4 -15.17493867 -11.2351899 -6.29563106 -5.51299752 -10.50100316 -10.77583884 -12.8346962 -6.42290836 -6.52789203 -7.15556886 -5.26960409 -8.42215189 -11.3554785 -1.25112359 -8.70177169 1.177E-9 2.6319999999E-9 5.8849999999E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.356E-7 0.000001645 0.0000036779999999 0.000008225 0.00001839 0.000041119999999 0.00009195 131-18-0 8561 144208717 A A Dipentyl phthalate O=C(OCCCCC)c1ccccc1C(=O)OCCCCC Tox21_201519 -NCGC00247336-02 196722330 tox21-ror-cho-viability-p1 set3 1.4 0.0757083143 16.9332129959 -11.4332129959 5.5 1.0999999999 0.7448835554 0.021050559 -10.23546037 -13.81757009 -13.00804305 -0.4886617 -14.11101083 0 0 -2.45613405 9.09994208 5.64370573 9.25559167 5.86882958 4.76499265 4.65357773 1.51576671 1.164E-9 2.6039999999E-9 5.822E-9 1.302E-8 2.911E-8 6.509E-8 1.4549999999E-7 3.255E-7 7.2769999999E-7 0.0000016269999999 0.000003639 0.000008136 0.00001819 0.00004068 0.000090969999999 795-38-0 5492898 144206438 A A Dihydroisocodeine COc1ccc2C[C@H]4N(C)CC[C@@]35[C@@H](Oc1c23)[C@H](O)CC[C@@H]45 Tox21_112885 -NCGC00022003-06 196722344 tox21-ror-cho-viability-p1 set3 4 0.0749780386 19.845146508 -14.845146508 5 1.0999999999 0.6459162406 0.0663916583 -8.3715809 -18.46231196 -21.35932917 -0.42928418 -24.03762209 -7.09062454 0 -4.84251107 2.32555727 2.53458164 6.12334527 5.85947136 0.28477623 1.77752178 11.17461381 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33564-31-7 71414 170465294 A Diflorasone diacetate CC(=O)OCC(=O)[C@@]4(OC(C)=O)[C@@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3C[C@H](F)C1=CC(=O)C=C[C@@]12C Tox21_110875_1 -NCGC00259272-01 196721569 tox21-ror-cho-viability-p1 set3 4 42.5739137901 11.8385742919 -2.8385742919 9 3.1319983358 0.441242649 0.2334548648 -6.94881191 0.32838832 -1.62672824 7.12974338 -2.19042682 -4.43244195 -5.86214787 -3.69974881 -6.38069067 -1.34929873 -5.68531844 -3.75705024 -4.16168454 3.31219735 7.80327798 1.164E-9 2.6039999999E-9 5.822E-9 1.302E-8 2.911E-8 6.509E-8 1.4549999999E-7 3.254E-7 7.2769999999E-7 0.0000016269999999 0.000003639 0.000008136 0.00001819 0.00004068 0.000090959999999 101-77-9 7577 144208921 A A 4,4'-Methylenedianiline Nc2ccc(Cc1ccc(N)cc1)cc2 Tox21_201723 -NCGC00259648-01 196721160 tox21-ror-cho-viability-p1 set3 4 -8.67960069 -7.5571587 -4.95247282 -2.38537881 -2.88523176 -10.56437198 -9.42663918 -5.53883508 -1.84408809 -5.00293393 -9.02383921 -8.79585403 -4.67922578 -5.60763894 -0.71452859 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 10081-67-1 82343 144209297 A A 4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline CC(C)(c1ccccc1)c2ccc(cc2)Nc3ccc(cc3)C(C)(C)c4ccccc4 Tox21_202099 -NCGC00091044-02 196721556 tox21-ror-cho-viability-p1 set3 4 -5.88865025 -2.3309628 -2.20066113 -3.99315791 -5.92794787 -5.90188276 -7.35871479 -7.37543896 -7.21429844 1.07510484 -4.37059025 -6.23091404 -4.71587081 2.07984386 -3.54340388 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00163843-03 196721568 tox21-ror-cho-viability-p1 set3 4 17.5272176827 10.4853254039 -11.4853254039 -1 4.9549173134 0.4256478143 0.2475685611 -16.93556471 -10.61981003 -8.46194959 0.45230688 -14.684144 -12.26341692 -16.63989232 -10.38679513 -17.48777117 -7.41621892 -12.67444277 -11.21677786 -6.07110293 0.99588856 -2.7174629 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00257368-01 196707233 tox21-ror-cho-viability-p1 set1 4 3.39194696 0.64674687 2.56713067 0.43343958 3.13745701 3.09696739 4.42374775 3.91783596 5.55069597 0.46012638 5.32130315 -0.80687033 2.19539765 2.96297831 4.60883866 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 41317-15-1 162461 144213810 A A 4-Methoxy-2-methyl-N-phenylaniline COc2cc(C)c(Nc1ccccc1)cc2 Tox21_303502 -NCGC00259405-01 196706824 tox21-ror-cho-viability-p1 set1 4 2.73551244 -9.22428892 -11.74002797 -0.15791619 -3.70542572 -4.78691522 1.41841633 -2.59389401 0.85622649 -4.45663009 -6.35502607 0.14738858 2.60922277 3.00694905 1.0250332 1.1919999999E-9 2.6659999999E-9 5.962E-9 1.333E-8 2.981E-8 6.6649999999E-8 1.49E-7 3.3329999999E-7 7.452E-7 0.0000016659999999 0.000003726 0.000008332 0.00001863 0.00004166 0.00009315 3296-90-0 18692 144209054 A Bc 2,2-Bis(bromomethyl)-1,3-propanediol OCC(CBr)(CBr)CO Tox21_201856 -NCGC00259544-01 196706826 tox21-ror-cho-viability-p1 set1 4 30.9184864367 -9.0822547559 1.5 -7.5822547559 4.9549173134 0.3804362268 0.3097794657 3.83959841 -0.27674795 0.16471708 4.36944132 4.96583564 0.97825774 -4.64749058 -0.37210406 5.72164873 3.29783223 0.90259227 0.65630272 1.78363075 -6.31854563 2.52519224 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.9719999999E-8 6.6449999999E-8 1.486E-7 3.3219999999E-7 7.429E-7 0.0000016609999999 0.0000037149999999 0.0000083059999999 0.00001857 0.00004153 0.00009287 2814-20-2 17777 144209193 A A 2-Isopropyl-6-methyl-4-pyrimidone O=C1C=C(C)NC(=N1)C(C)C Tox21_201995 -NCGC00257440-01 196707230 tox21-ror-cho-viability-p1 set1 -1.2 13.6854287769 -57.4857811771 1.205932142 -56.2798490351 1.4787409999 0.9791355239 6.06E-8 -4.42108959 0.14862243 0.61156009 6.21352022 0.26916606 0.21459875 5.12239899 -0.23276896 0.15113141 0.38220337 -3.59868417 -19.91138089 -36.07965093 -44.70922517 -51.72715836 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 569-61-9 11292 144213886 A A C.I. Basic Red 9 monohydrochloride Cl.N=C1C=C/C(C=C1)=C(\c2ccc(N)cc2)c3ccc(N)cc3 Tox21_303581 -NCGC00256428-01 196707236 tox21-ror-cho-viability-p1 set1 4 -1.56327686 -9.78462409 -5.81465169 -10.95403328 -3.73644058 -2.77366791 -3.89673331 -3.54508048 -9.22871461 -5.6144697 -4.25982632 -1.08678809 -1.44386755 -6.25400987 -11.17898583 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55-80-1 5934 144213339 A A 3'-Methyl-4-dimethylaminoazobenzene CN(C)c2ccc(/N=N/c1cc(C)ccc1)cc2 Tox21_303022 -NCGC00259651-01 196706024 tox21-ror-cho-viability-p1 set1 4 0.71797097 -0.15715422 4.31463624 7.63870885 1.71252024 2.00798539 2.52240841 0.78819716 -8.91171361 -1.12161713 0.83065927 0.26095249 3.43445452 4.10166486 2.495628 1.2089999999E-9 2.703E-9 6.0429999999E-9 1.3509999999E-8 3.022E-8 6.757E-8 1.511E-7 3.3779999999E-7 7.5539999999E-7 0.000001689 0.000003777 0.000008446 0.00001889 0.000042229999999 0.00009443 98-00-0 7361 144209300 A B Furfuryl alcohol OCc1ccco1 Tox21_202102 -NCGC00259948-01 196705590 tox21-ror-cho-viability-p1 set1 4 17.2114145959 6.677242076 0.322757924 7 1.21 0.4468791499 0.2302762375 3.29602635 -1.94201329 -0.01787105 2.40767048 -1.02032055 2.18771209 0.12626543 -6.39770173 1.32923293 2.32866283 0.18801746 3.07877737 3.38058925 5.22593257 6.31579563 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008241 0.000018429999999 0.00004121 0.00009214 111-76-2 8133 144209597 A A 2-Butoxyethanol CCCCOCCO Tox21_202399 -NCGC00259714-01 196705606 tox21-ror-cho-viability-p1 set1 4 19.3508424578 -28.2957902281 -8.5828200519 -36.87861028 0.3 0.6571125539 0.06002848 -11.96249973 -6.31901671 -15.25625846 -10.47816358 -9.71718333 -12.98204807 -10.14693576 -20.20940666 -18.36802102 -24.3772992 -12.43523479 -16.96864962 -21.28538636 -27.21426045 -27.3988419 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.954E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3839999999E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.0000923 13473-26-2 83511 144209363 AC Ac D&C Red 27 Brc4c5Oc1c(Br)c(O)c(Br)cc1C3(OC(=O)c2c3c(Cl)c(Cl)c(Cl)c2Cl)c5cc(Br)c4O Tox21_202165 -NCGC00258844-01 196705608 tox21-ror-cho-viability-p1 set1 4 1.0716137084 10.463763556 -11.963763556 -1.5 1.0999999999 0.4899394089 0.1875444432 -12.92670722 -6.76312775 -13.91613956 -17.88646963 -12.67716903 -11.37058834 -0.87675694 -16.44558024 -12.36751479 0 -0.93994356 -6.53787383 -1.5999462 -0.92120682 -2.53306104 1.166E-9 2.6069999999E-9 5.83E-9 1.304E-8 2.9149999999E-8 6.5189999999E-8 1.458E-7 3.259E-7 7.288E-7 0.0000016299999999 0.0000036439999999 0.0000081479999999 0.00001822 0.00004074 0.000091099999999 119-93-7 8413 144208490 A A 3,3'-Dimethylbenzidine Cc1cc(ccc1N)c2ccc(N)c(C)c2 Tox21_201292 -NCGC00259537-01 196706421 tox21-ror-cho-viability-p1 set1 4 7.41428627 -1.22928092 -0.09422617 9.24359428 -0.57103731 -0.39658938 1.18540868 6.7571456 6.73073938 8.47182724 0.55026855 1.71772697 3.79373007 -0.75696309 -2.41986764 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.000001671 0.000003737 0.000008357 0.00001869 0.000041779999999 0.00009343 5234-68-4 21307 144209186 A A Carboxin O=C(Nc1ccccc1)C=2SCCOC=2C Tox21_201988 -NCGC00259320-01 196706422 tox21-ror-cho-viability-p1 set1 4 -1.86408135 8.58938925 0.84552113 0.83592236 0.49572831 2.04912301 0.2525376 3.51901329 6.15720272 14.52964964 -0.07999213 -2.27453546 1.98771221 5.59516551 2.82156557 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.397E-7 7.5949999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004246 0.00009494 101-83-7 7582 144208969 A Fns Dicyclohexylamine C1CCCCC1NC2CCCCC2 Tox21_201771 -NCGC00259366-01 196706424 tox21-ror-cho-viability-p1 set1 4 53.7631897451 -21.71880536 3 -18.71880536 1.6435888099 0.834478057 0.0035507488 0.88054894 3.67800466 1.40953826 1.0047514 7.48697786 3.58916705 1.10089263 1.73768779 4.568717 5.16105089 0.19711989 1.44496551 0.22156954 -5.08597 -12.6823378 1.167E-9 2.609E-9 5.835E-9 1.305E-8 2.917E-8 6.524E-8 1.459E-7 3.262E-7 7.294E-7 0.000001631 0.0000036469999999 0.0000081549999999 0.00001823 0.00004077 0.00009117 2303-17-5 5543 144209015 A A Tri-allate Cl/C(Cl)=C(\Cl)CSC(=O)N(C(C)C)C(C)C Tox21_201817 -NCGC00259999-01 196706427 tox21-ror-cho-viability-p1 set1 4 2.43591303 8.3541581 2.45701666 1.61066847 -0.69722605 0.4452409 0.67833574 1.71598311 -10.22398025 7.80473739 -1.04926571 -1.97503795 3.4730801 0.26194899 0.61797343 1.244E-9 2.782E-9 6.22E-9 1.391E-8 3.11E-8 6.954E-8 1.5549999999E-7 3.4769999999E-7 7.775E-7 0.000001739 0.000003888 0.000008693 0.00001944 0.00004346 0.00009719 110-91-8 8083 144209648 AC Ac Morpholine C1CNCCO1 Tox21_202450 -NCGC00256275-01 196728017 tox21-ror-cho-viability-p1 set3 4 -0.92677188 -4.61871819 -3.08876558 -1.46037291 -0.89290062 2.24893391 -7.8208816 3.5176221 3.65978394 5.02993757 -8.03623773 -5.02774127 -1.39157493 7.68881744 2.13659978 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-83-0 23662382 144212113 A A Sodium 3-chloro-2-hydroxypropane-1-sulfonate [Na+].ClCC(O)CS([O-])(=O)=O Tox21_301796 -NCGC00255221-01 196728003 tox21-ror-cho-viability-p1 set3 4 -0.0545296 -2.28965197 -0.18785674 -1.36403291 -1.64815991 0.07894547 -1.23126146 3.08716125 -3.47969414 0.55042226 2.8172498 -6.98811297 -5.26708599 -0.19875061 2.14302506 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97240-79-4 5284627 144212718 A A Topiramate NS(=O)(=O)OC[C@]23OC[C@H]1OC(C)(C)O[C@H]1[C@@H]3OC(C)(C)O2 Tox21_302401 -NCGC00256258-01 196728015 tox21-ror-cho-viability-p1 set3 4 1.43128922 -4.39861077 1.33815429 0.91464335 -5.3129171 2.7910244 -6.38564741 -5.74804267 4.58102896 -2.36656556 -1.75453791 1.25554342 0.32222074 -0.64621769 -3.34247515 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2694-54-4 75903 144212105 A A Triallyl trimellitate O=C(OCC=C)c1cc(C(=O)OCC=C)c(cc1)C(=O)OCC=C Tox21_301788 -NCGC00255448-01 196728025 tox21-ror-cho-viability-p1 set3 4 -2.37908875 -0.14388147 -2.33777732 3.63276857 5.42117772 -3.71777227 -3.36442712 -3.57003765 7.64284017 6.56319273 -0.74624126 -3.73082677 -4.9072254 -1.41043799 3.85510563 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 64-00-6 6143 144212323 A A m-Cumenyl methylcarbamate O=C(Oc1cc(ccc1)C(C)C)NC Tox21_302006 -NCGC00256223-01 196728429 tox21-ror-cho-viability-p1 set3 4 1.90685096 3.58762727 -2.58426797 1.10368157 0.99322465 -0.62076192 3.69162385 3.09123918 1.55868663 3.9699111 7.53246 3.83945417 -1.77359696 -1.79739502 0.18458179 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2021-28-5 16237 144212654 A A Ethyl hydrocinnamate O=C(CCc1ccccc1)OCC Tox21_302337 -NCGC00255928-01 196728430 tox21-ror-cho-viability-p1 set3 4 0.53294356 1.05716422 -12.36903804 -0.44825076 -8.61992726 -11.49286053 1.50433334 10.35755768 -7.63257545 11.80057759 11.58346908 8.15895228 -7.49503098 3.78238846 1.45117355 1.0499999999E-9 2.3479999999E-9 5.25E-9 1.174E-8 2.6249999999E-8 5.869E-8 1.312E-7 2.935E-7 6.562E-7 0.000001467 0.000003281 0.0000073369999999 0.00001641 0.00003668 0.00008203 36443-68-2 91620 144212725 A Triethylene glycol bis(3-tert-butyl-4-hydroxy-5-methylphenyl)propionate CC(C)(C)c1cc(cc(C)c1O)CCC(=O)OCCOCCOCCOC(=O)CCc2cc(C)c(O)c(c2)C(C)(C)C Tox21_302408 -NCGC00357005-01 196724333 tox21-ror-cho-viability-p1 set3 4 4.3277125691 -8.2103325839 0 -8.2103325839 2.4063783767 0.4832478615 0.2112193089 -5.69483777 -3.323741 -2.72985144 -2.23742907 1.8164574 2.92876869 4.45854195 2.32830184 -1.95349091 6.19540845 -5.78639092 -6.50249472 -6.94850667 -9.34194382 9.92049797 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 152019-73-3 15842092 251919833 I Metolachlor OA O=C(O)C(=O)N(C(C)COC)c1c(C)cccc1CC Tox21_304002 -NCGC00260075-01 196724336 tox21-ror-cho-viability-p1 set3 4 5.8737442 1.60878513 -6.30058317 -4.49370658 -1.67534629 3.8466461 1.70569464 -9.73706349 4.11136154 -7.40849649 0.50962959 3.23451667 2.28588639 -9.61730543 11.72682146 1.165E-9 2.605E-9 5.8259999999E-9 1.303E-8 2.9129999999E-8 6.514E-8 1.457E-7 3.2569999999E-7 7.2829999999E-7 0.000001628 0.000003641 0.000008142 0.00001821 0.00004071 0.00009103 75-09-2 6344 144209724 FNS Dichloromethane ClCCl Tox21_202526 -NCGC00260229-01 196724342 tox21-ror-cho-viability-p1 set3 4 -2.5226701 1.02416365 1.6491491 -2.4270167 -2.43398872 3.1999484 2.79958815 0.88943617 -2.36855263 2.97864179 0.4578119 3.41342864 3.1346244 1.34226701 5.92122542 1.182E-9 2.6429999999E-9 5.91E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.304E-7 7.387E-7 0.0000016519999999 0.000003693 0.000008259 0.000018469999999 0.00004129 0.00009234 125652-55-3 19876500 144209879 A Z 1-Butyl-3-methylpyridinium chloride [Cl-].Cc1ccc[n+](CCCC)c1 Tox21_202681 -NCGC00260571-01 196724344 tox21-ror-cho-viability-p1 set3 4 0.0008412674 16.464597964 -14.464597964 2 2.6384283767 0.5090051208 0.1712914186 -10.38716497 -0.89786852 -2.17329774 3.80189394 1.11136657 -6.82020959 2.87017238 -0.27532697 4.23077333 0.04711634 4.74037324 3.91449075 2.24734598 3.6445504 5.71392776 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49467 144210224 M M NTP Mix79 CT1 62-EQP Tox21_203026 -NCGC00260427-01 196724044 tox21-ror-cho-viability-p1 set3 4 0.0309496936 8.508036696 -6.508036696 2 2.4729283767 0.7003647236 0.0382638301 -7.19505001 -3.002024 -10.84003058 -4.01346243 -2.83472821 1.99190574 0.22893925 1.43153512 0.14123811 1.12418005 1.23440696 0.57102042 -0.35629404 5.67520267 6.25596547 1.19E-9 2.661E-9 5.951E-9 1.331E-8 2.976E-8 6.654E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.000003719 0.000008317 0.0000186 0.00004158 0.000092989999999 96-27-5 7291 144210079 F A 1-Thioglycerol OCC(O)CS Tox21_202881 -NCGC00015086-04 196723638 tox21-ror-cho-viability-p1 set3 4 0.003349146 -12.484133128 10 -2.484133128 2.3331733767 0.5106371142 0.1857386141 9.97987897 8.33744293 4.42546178 1.41055046 -6.06645124 -4.61950248 10.057819 -1.59666874 0.86455287 -3.92259464 -5.87259913 -7.07011094 -5.44746404 -1.34369759 14.42520057 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 616-91-1 12035 170464792 D Acetylcysteine CC(=O)N[C@@H](CS)C(O)=O Tox21_110877_1 -NCGC00160453-02 196723649 tox21-ror-cho-viability-p1 set3 4 0.16785492 6.6717102959 -3.1717102959 3.5 4.9549173134 0.8446643987 0.0026910108 -3.79747908 -2.57122684 -3.40727577 -2.93622101 -3.32626546 -4.30975858 -3.42418479 -0.14802531 6.60457251 2.34638883 6.62066036 1.51394867 1.47967593 3.79985587 3.30924855 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 952-54-5 70374 170466494 Z Morphazinamide O=C(NCN1CCOCC1)c2cnccn2 Tox21_111823_1 -NCGC00260436-01 196724060 tox21-ror-cho-viability-p1 set3 2.4 2.3565514796 28.4394650839 -6.4394650839 22 1.692447691 0.798095765 0.0082930831 -4.25047592 0.81408469 -3.55492621 -3.06002404 -8.14640752 -12.03288757 -8.5031805 -9.27068517 -8.43636316 -6.86967321 -7.63247608 -3.18761652 0.50086709 4.33971781 16.87109637 5.869E-11 1.312E-10 2.9349999999E-10 6.562E-10 1.467E-9 3.2809999999E-9 7.3359999999E-9 1.64E-8 3.6679999999E-8 8.2019999999E-8 1.834E-7 4.101E-7 9.171E-7 0.000002051 0.000004585 51-65-0 4654 144210088 Fns 4-Fluoro-dl-phenylalanine Fc1ccc(CC(N)C(=O)O)cc1 Tox21_202890 -NCGC00090773-04 196723254 tox21-ror-cho-viability-p1 set3 4 0.4939841115 -4.196067896 0.5 -3.696067896 3.5117481694 0.3913684294 0.2991478203 -0.9366813 0.4254798 1.19715618 -0.28237209 -0.63047417 2.26415656 2.71299129 -0.06463173 -3.28006939 -1.29072394 -8.08005658 -6.86539887 3.19316263 -5.96218521 3.75070261 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00253666-01 196722841 tox21-ror-cho-viability-p1 set3 4 1.0590929458 -8.24725514 0 -8.24725514 4.9549173134 0.5591353877 0.1284431283 -0.74254559 -0.87030853 2.26195456 1.8262252 -1.96921344 -0.85553191 -0.65594914 -0.26982642 -0.42598648 1.46609756 -15.20604595 0.92927763 -10.62415098 -9.58961691 -7.60948965 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 393-11-3 94955 170466765 A A 3-Trifluoromethyl-4-nitroanilide O=[N+]([O-])c1ccc(N)cc1C(F)(F)F Tox21_113790 -NCGC00016000-13 196722844 tox21-ror-cho-viability-p1 set3 -1.3 0.1248299375 -81.5845800906 11.8762914379 -69.7082886527 0.4 0.8504367502 0.1043843724 -0.18857358 -5.82977183 3.61137056 -0.31488161 -17.28769261 -40.18023542 -40.64596611 -45.63075615 -37.48797576 -38.73988949 -42.16762282 -56.84161282 -53.73473029 -15.64596623 -78.86280068 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00091325-09 196723251 tox21-ror-cho-viability-p1 set3 -2.2 26.6032120037 -58.5763358701 3.0381564085 -55.5381794616 1.4163171 0.8959659178 0.0003921205 6.2874039 2.8757563 5.17018941 0.71156268 5.10215375 -0.54427757 1.27908538 1.02460727 6.82320022 7.16249345 -1.90309497 -2.82680522 -13.15413828 -12.1834664 -42.07437838 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97-23-4 3037 170465475 B Dichlorophen Oc2ccc(Cl)cc2Cc1cc(Cl)ccc1O Tox21_111112_1 -NCGC00159384-04 196723259 tox21-ror-cho-viability-p1 set3 4 2.3710137656 -7.688035372 0 -7.688035372 4.9549173134 0.5285140529 0.1541758565 -0.45169896 0.36511804 -0.809732 3.19062036 2.27289696 0.46369944 2.01558509 0.0821304 -5.39614749 -1.48341935 0.77210947 -13.07336281 -3.4393411 -2.79098764 -10.99340283 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 89-68-9 6982 170465546 Ac 6-Chlorothymol Oc1cc(C)c(Cl)cc1C(C)C Tox21_111622_1 -NCGC00262961-01 196723664 tox21-ror-cho-viability-p1 set3 4 -1.60749265 4.86417245 2.14578868 -1.53967508 1.3749725 3.40668543 -2.22612017 3.52577603 -3.27131835 -0.31969819 -4.80377182 -0.16247258 -0.80899985 2.11109448 2.8265728 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 110816-79-0 196639 170465975 A I Cromoglicate lisetil O=C(OCC)C=4Oc3cccc(OCC(OC(=O)[C@@H](N)CCCCN)COc1cccc2OC(=CC(=O)c12)C(=O)OCC)c3C(=O)C=4 Tox21_113952 -NCGC00263557-01 196723669 tox21-ror-cho-viability-p1 set3 4 7.23169544 4.79350375 2.41276987 -2.64754242 -1.95162878 4.17630625 3.55020412 3.83023254 8.4996805 9.55318928 6.12438117 5.83749398 2.32882873 4.59302177 2.38833725 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 124937-51-5 443879 170465337 A Tolterodine Oc1ccc(C)cc1[C@H](CCN(C(C)C)C(C)C)c2ccccc2 Tox21_111737_1 -NCGC00164594-02 196723678 tox21-ror-cho-viability-p1 set3 4 37.5780357627 9.5880811719 -2.5880811719 7 4.9549173134 0.3885253777 0.2855336344 -3.75087095 -2.39538151 -2.4290082 1.67998448 -3.06386044 -1.9539116 -3.66645293 1.33702954 -3.49574621 0.46224648 -2.02696869 -5.28890442 -8.40673431 -5.19885859 5.75000001 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82034-46-6 444025 170465195 A Loteprednol etabonate O=C(OCCl)[C@@]4(OC(=O)OCC)CC[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_112219_1 -NCGC00179312-03 196723600 tox21-ror-cho-viability-p1 set3 4 21.1316824289 7.6704980359 -0.1704980359 7.5 3.9294729863 0.4299841325 0.2463680847 -0.39347589 -0.05044226 0.5519047 0.42062899 -1.0979602 -1.3531112 -0.3912018 0.75026459 0.11113948 4.06538083 4.27083427 -5.97541503 -1.09772236 3.4426461 7.34504379 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 742-20-1 2904 170466046 A Cyclopenthiazide NS(=O)(=O)c3cc1c(NC(NS1(=O)=O)CC2CCCC2)cc3Cl Tox21_110481_1 -NCGC00260066-01 196723995 tox21-ror-cho-viability-p1 set3 4 15.7935704211 11.690843152 -5.690843152 6 3.5117481694 0.383038454 0.2880960233 -1.1761104 3.01429923 2.25953498 -1.15295245 0.77588608 -9.33550824 -11.40903596 -8.83496197 -10.5440004 -10.40878965 -11.30649234 -8.8694409 4.74047623 2.14086103 7.80867239 1.208E-9 2.7009999999E-9 6.0389999999E-9 1.3499999999E-8 3.02E-8 6.752E-8 1.51E-7 3.376E-7 7.549E-7 0.0000016879999999 0.000003775 0.0000084399999999 0.00001887 0.0000422 0.00009436 107-22-2 7860 144209715 FC Glyoxal O=CC=O Tox21_202517 -NCGC00357165-01 196724005 tox21-ror-cho-viability-p1 set3 4 -4.86880486 -0.35126875 -0.72815167 -6.65250455 9.36290672 -7.44299582 8.74539118 -5.244783 -3.56844208 2.96827397 2.21540664 2.01154782 -2.13758472 3.20946184 8.24912752 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16409-43-1 27866 251919876 4-Methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran CC1CC(C=C(C)C)OCC1 Tox21_303917 -NCGC00249893-01 196723209 tox21-ror-cho-viability-p1 set3 4 -0.75838117 2.97380191 -0.84316738 3.20641072 -0.05340706 3.00100355 0.08699634 5.8644175 -0.78164457 5.05733211 1.34724809 -4.03196033 3.27196908 1.01166314 9.00171016 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53882-12-5 44564 170465346 Fc F Lodoxamide Clc1c(cc(cc1NC(=O)C(=O)O)C#N)NC(=O)C(=O)O Tox21_113669 -NCGC00167531-02 196723193 tox21-ror-cho-viability-p1 set3 2.2 13.3331902297 67.3144213029 -0.365987147 66.9484341559 0.7999999999 0.9581097082 0.0000031685 -0.24482461 0.56656544 0.20526307 -1.0549109 1.13855983 1.52569728 1.79545624 0.21586901 -1.94454259 2.72780075 14.49750809 23.79042574 25.41004024 32.65906827 53.3808178 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 129101-54-8 77990 170464721 A Rivastigmine tartrate O=C(Oc1cc(ccc1)[C@H](C)N(C)C)N(C)CC.O=C(O)[C@@H](O)[C@H](O)C(=O)O Tox21_112528_1 -NCGC00253671-01 196723194 tox21-ror-cho-viability-p1 set3 4 26.6032120037 20.617431156 0.382568844 21 4.4494702849 0.5260725765 0.1555728316 3.48305492 -2.28394682 -1.90375382 3.08498701 2.12653496 -1.8171657 -0.79992447 -1.006515 -2.49640954 7.60860992 11.96645768 -5.1600031 -5.93119263 6.15987852 19.31648093 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16883-16-2 85624 170466720 F F Pmic chloride ClC(=O)c2c(C)onc2c1ccccc1 Tox21_113795 -NCGC00167505-02 196723206 tox21-ror-cho-viability-p1 set3 2.4 26.6032120037 24.343558044 1.656441956 26 0.7 0.6827856882 0.0463761464 8.36983219 0.80308776 1.71601783 0.15126868 1.88503404 -1.53629837 -0.82252119 1.51348272 -0.44939861 5.66672337 9.21134652 7.58591919 7.65906549 7.82140652 20.39496608 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 144143-96-4 5282474 170465071 A Eprosartan mesylate OC(=O)C(/Cc1cccs1)=C/c3cnc(CCCC)n3Cc2ccc(cc2)C(=O)O.CS(=O)(=O)O Tox21_112186_1 -NCGC00253586-01 196723608 tox21-ror-cho-viability-p1 set3 4 4.06981411 -0.02074319 -3.06334362 -0.4252128 -1.68814039 -14.45704946 -3.50338062 -3.33027212 -0.82196358 -2.05717147 7.01207586 -4.8827704 3.64775413 4.9600404 -2.13892026 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5579-81-7 16683101 170465491 F Ac Isalon O=C(N)NC1N=C(O[Al](O)O)NC1=O Tox21_113724 -NCGC00095045-05 196723626 tox21-ror-cho-viability-p1 set3 4 0.1496008549 7.291354844 -5.791354844 1.5 3.0654483358 0.3856508704 0.2859651987 -1.65608783 -6.86335584 1.94178615 -18.15946237 -3.71516234 -3.28369568 -9.6807981 0 1.77891633 2.63694193 2.14675392 0.06930719 -1.70331621 1.59388247 2.21165004 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122-16-7 5334 170466141 B Sulfanitran O=S(=O)(Nc1ccc(cc1)[N+]([O-])=O)c2ccc(NC(C)=O)cc2 Tox21_111401_1 -NCGC00357024-01 196724025 tox21-ror-cho-viability-p1 set3 4 0.2433651621 -11.6541685199 11 -0.6541685199 2.4063783767 0.6369766346 0.0843765837 11.26618824 3.61633286 14.68956157 14.66209969 16.19999312 3.34635187 11.89654078 2.60207666 -4.7118071 -4.31159663 -0.4578225 2.7892932 3.27105088 -0.43666642 6.23278498 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13759-92-7 57433782 251919865 Europium(III) chloride hexahydrate O.O.O.O.O.O.Cl[Eu](Cl)Cl Tox21_303707 -NCGC00356967-01 196724041 tox21-ror-cho-viability-p1 set3 -2.2 30.6378586933 -43.3069341158 -5.219737948 -48.5266720638 2.5884283767 0.7904865326 0.0096244171 -7.67891971 -10.97187499 -14.24610347 -18.99234898 -6.8593387 -0.0887258 1.00678898 -7.2723835 -0.29437382 4.62221079 2.58871998 -1.77997211 -17.88499498 -33.49507075 -47.57516869 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14938-35-3 26975 251919782 A 4-Pentylphenol Oc1ccc(CCCCC)cc1 Tox21_303837 -NCGC00090986-03 196697870 tox21-ror-cho-viability-p1 set1 -2.1 61.5037543138 -113.9997377543 0.8599577879 -113.1397799664 2.5884283767 0.991341 4E-10 0.1337638 4.66271938 2.7480374 -0.74785678 5.6884676 -0.38549711 1.31498919 0.31374749 0.9004888 1.00756505 0.55103502 -0.60756357 -7.66610707 -28.2824796 -85.71195452 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00159330-03 196697883 tox21-ror-cho-viability-p1 set1 4 1.87694544 2.99442429 1.71137251 0.45753434 1.9874999 0.88725727 0.34332462 5.52996523 -3.82236665 0.51910748 3.0306868 -4.07946538 0.62632707 1.50065583 1.96118207 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69975-86-6 50942 170466312 A Doxofylline O=C2c1n(cnc1N(C)C(=O)N2C)CC3OCCO3 Tox21_111577_1 -NCGC00257315-01 196707255 tox21-ror-cho-viability-p1 set1 4 -8.96161234 -5.11823892 -11.40603894 -13.52108628 -7.10813743 -9.62204526 -8.99400764 -20.33359997 -14.25266417 -19.48142956 -1.58144568 -17.21069676 -16.52603745 -14.0288162 -13.26687382 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.314E-8 2.9369999999E-8 6.568E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.000003672 0.00000821 0.000018359999999 0.000041049999999 0.00009179 1646-87-3 9568700 144213759 A A Aldicarb sulfoxide CC(C)(\C=N\OC(=O)NC)S(C)=O Tox21_303449 -NCGC00259505-01 196706849 tox21-ror-cho-viability-p1 set1 -2.1 49.2993832775 -111.0686684448 -2.831637642 -113.9003060868 1.8851180601 0.9421026179 0.0000186367 -15.59564547 -6.58348456 1.00786144 -2.43707813 4.21804489 5.0215655 -4.77773789 -2.88147371 -1.68456821 -14.49698646 0.13979461 -0.55175898 -21.3907669 -49.38964764 -88.29481092 1.195E-9 2.672E-9 5.976E-9 1.336E-8 2.988E-8 6.6809999999E-8 1.494E-7 3.341E-7 7.47E-7 0.0000016699999999 0.000003735 0.000008352 0.00001867 0.000041759999999 0.00009337 97-00-7 6 144209154 A A 1-Chloro-2,4-dinitrobenzene O=[N+]([O-])c1cc(ccc1Cl)[N+]([O-])=O Tox21_201956 -NCGC00259580-01 196706851 tox21-ror-cho-viability-p1 set1 4 0.85044503 3.93124418 1.82686071 0.66549726 1.29770049 0.18043577 2.00154418 0.72447428 2.39217481 11.63206106 0.18148921 0.72397693 0.33126277 0.73389021 5.91329367 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 41372-08-1 38852 144209229 A A Methyldopa sesquihydrate O.O.O.Oc1ccc(C[C@](C)(N)C(=O)O)cc1O.O=C(O)[C@@](C)(N)Cc1cc(O)c(O)cc1 Tox21_202031 -NCGC00244580-01 196706854 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -29.357532624 2.5 -26.857532624 4.5044702849 0.5451625413 0.1393178905 2.79261303 0.78851161 2.28335317 2.41802808 -1.2945145 4.68276191 4.37880296 1.32255369 4.34929897 14.69488758 4.43581384 -12.55149854 1.35805796 -0.12398988 -20.71461052 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00256596-01 196707273 tox21-ror-cho-viability-p1 set1 -2.4 13.1654838389 -23.4204818359 3 -20.4204818359 1.8851180601 0.8747035852 0.0009724731 0.54335675 4.31130574 0.07145248 2.05634323 4.32763016 3.37725909 -0.13506209 11.2174819 -1.20066302 5.59036924 2.65370375 -2.09701085 -12.85521548 -16.05027203 -20.35040153 1.038E-9 2.321E-9 5.191E-9 1.161E-8 2.595E-8 5.8039999999E-8 1.2979999999E-7 2.902E-7 6.489E-7 0.000001451 0.000003244 0.0000072539999999 0.000016219999999 0.00003627 0.00008111 2465-27-2 17170 144213319 B D Auramine hydrochloride Cl.CN(C)c1ccc(cc1)C(=N)c2ccc(cc2)N(C)C Tox21_303002 -NCGC00256519-01 196707275 tox21-ror-cho-viability-p1 set1 4 108.7072248181 16.645182384 -1.645182384 15 0.2 0.3801142529 0.293484363 -0.07682286 -0.01654826 0.82827802 0.64318741 0.65007448 -0.12098532 1.72135217 5.82922355 3.09255634 1.16094654 8.59146344 1.63933189 5.16890457 0.05504031 11.22874188 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1083-57-4 14130 144213206 A A 3-Hydroxy-4-butyrophenetidide CCOc1ccc(cc1)NC(=O)CC(C)O Tox21_302889 -NCGC00257339-01 196707666 tox21-ror-cho-viability-p1 set1 4 -10.72847453 -3.07739136 -8.45274586 -12.0544771 -10.26957564 -18.66060856 -1.52866076 -7.0977274 -17.66041223 -14.37696614 -20.58260087 -5.04318593 -4.78506236 -16.40092641 -5.7840217 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 833-66-9 23677963 144213872 A A Potassium 6-hydroxynaphthalene-2-sulfonate [K+].[O-]S(=O)(=O)c1ccc2cc(O)ccc2c1 Tox21_303567 -NCGC00256731-01 196707676 tox21-ror-cho-viability-p1 set1 4 -8.98448379 0.36325036 -5.68794357 -2.35416822 -14.45037524 -11.34925618 -3.93025609 -19.75779871 -14.85723898 -14.63370092 -12.21363728 -6.40939057 -10.57489004 -2.93835399 -1.00402889 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-51-6 7144 144212998 A A 2-Methoxy-4-methylphenol Oc1ccc(C)cc1OC Tox21_302681 -NCGC00256509-01 196707681 tox21-ror-cho-viability-p1 set1 4 30.6378586933 -6.8183245879 1.5 -5.3183245879 1.4787409999 0.4000308266 0.2760217071 -0.41955928 1.35734512 -2.68483743 1.02335437 4.02898203 -0.07793345 3.87546841 6.65664369 1.61556786 -0.25377328 1.96488392 -0.30966958 0.09059929 -3.11284445 -4.01527049 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 127-47-9 638034 144213054 F Fns Retinol acetate CC=1CCCC(C)(C)C=1/C=CC(\C)=C\C=C\C(\C)=C\COC(C)=O Tox21_302737 -NCGC00256908-01 196708089 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -69.3050647612 0.2115550699 -69.0935096913 4.9549173134 0.9715230208 3.612E-7 1.1373256 -0.44987364 -2.4668047 -0.69475827 6.46102891 -1.94157515 1.01629247 -0.71514677 -1.47948356 -0.63703404 -2.61135618 0.71413671 -2.00108536 -1.09817973 -56.42342039 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 515-03-7 163263 144213044 A A Sclareol C=C[C@](C)(O)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O Tox21_302727 -NCGC00259119-01 196706037 tox21-ror-cho-viability-p1 set1 4 -11.15376467 -4.34917838 -9.92419872 -10.46089978 -4.86383079 -9.98233036 -8.23701365 -6.68354704 -6.83024883 -4.54974961 8.20823423 -10.59098787 -4.54810229 -10.06575165 -5.06493913 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.3529999999E-7 0.0000016439999999 0.0000036769999999 0.000008221 0.000018379999999 0.00004111 0.00009192 76-06-2 6423 144208768 Chloropicrin ClC(Cl)(Cl)[N+]([O-])=O Tox21_201570 -NCGC00259519-01 196705618 tox21-ror-cho-viability-p1 set1 4 0.62735981 8.9788841 3.59837055 2.43524548 -0.90160985 2.05920213 -1.45926306 2.17335374 1.11386743 -8.97696631 2.93337868 4.89931961 2.09257775 -2.94119955 1.59412905 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.629E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008287 0.00001853 0.000041429999999 0.00009265 17696-61-6 86607 144209168 A A sec-Butylparaben Oc1ccc(cc1)C(=O)OC(C)CC Tox21_201970 -NCGC00257057-01 196726420 tox21-ror-cho-viability-p1 set3 4 -1.19650501 0.62234644 -0.18241213 3.22044491 0.65560577 0.72594392 3.02548102 4.83951973 1.2081551 3.2891093 4.4817431 1.23142816 4.16209522 2.97626199 -7.17230846 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-77-0 7954 144213603 F 2,4,6-Trichloro-s-triazine Clc1nc(Cl)nc(Cl)n1 Tox21_303286 -NCGC00262953-01 196726011 tox21-ror-cho-viability-p1 set3 4 -0.96161439 -5.11452487 0 0 -7.05914943 -13.86509998 -7.93168468 -13.04978278 -17.46096197 -19.39066347 5.64956884 7.0726641 -3.21569226 -5.61151699 -9.91410831 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 31431-43-3 35803 170466492 A A Cyclobendazole O=C(OC)Nc1nc2cc(ccc2n1)C(=O)C3CC3 Tox21_113945 -NCGC00257363-01 196726411 tox21-ror-cho-viability-p1 set3 4 1.51043452 0.03515518 1.50604422 1.20943924 2.21875513 2.29932785 2.13270654 0.42318301 0.91315452 1.56320333 1.49119837 0.71444436 1.13375407 1.5547474 1.73453571 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13547-70-1 83572 144213735 C 1-Chloro-3,3-dimethyl-butan-2-one CC(C)(C)C(=O)CCl Tox21_303424 -NCGC00257058-01 196726412 tox21-ror-cho-viability-p1 set3 4 -0.83647926 -5.60058822 -0.999516 -0.53761208 -0.36573806 -0.4901723 -0.21038436 1.30413078 1.51957502 2.30189617 1.68159951 3.50685962 0.19102783 0.5335686 0.7664829 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-96-7 135 144213618 A A 4-Hydroxybenzoic acid OC(=O)c1ccc(O)cc1 Tox21_303301 -NCGC00257094-01 196726421 tox21-ror-cho-viability-p1 set3 4 -1.65083065 -4.7713797 -1.33279362 0.57121792 -0.11666152 1.26147244 1.09623546 1.7908387 3.91415762 3.91371514 4.10397372 -1.51543916 2.57289339 3.7409624 0.20833011 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 583-39-1 707035 144213591 A A 2-Mercaptobenzimidazole S=C1Nc2ccccc2N1 Tox21_303274 -NCGC00256983-01 196726432 tox21-ror-cho-viability-p1 set3 4 0.0228837258 7.0127271239 -8.0127271239 -1 4.9549173134 0.3592661729 0.3115301583 -0.72899208 -18.34393927 -1.56196763 -12.38687199 -1.90755056 0 0 0 -4.19686849 0 -4.02259512 -0.96720741 -2.7396296 -0.38339717 1.05392515 1.121E-9 2.506E-9 5.6039999999E-9 1.2529999999E-8 2.802E-8 6.265E-8 1.401E-7 3.133E-7 7.005E-7 0.000001566 0.0000035019999999 0.000007831 0.00001751 0.00003916 0.00008756 2807-30-9 17756 144213351 Ac 2-Propoxyethanol CCCOCCO Tox21_303034 -NCGC00257113-01 196726841 tox21-ror-cho-viability-p1 set3 4 0.33534027 0.14556556 1.29289044 -8.2399046 -2.70110799 0.28638695 -1.19116847 0.45407143 2.02852571 2.21767858 2.11136004 -0.13455702 -0.5336375 -0.32732283 1.33431185 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2702-72-9 23676704 144213565 Ac Ac 2,4-D sodium salt [Na+].Clc1cc(Cl)ccc1OCC([O-])=O Tox21_303248 -NCGC00090701-06 196726842 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -12.950144356 0.5 -12.450144356 4.9549173134 0.865799972 0.0013958929 -0.00393194 1.61285235 -0.70610992 2.11344345 -0.72972459 0.85569276 0.24913918 0.3212976 -0.43302397 -1.36158856 2.14558626 1.03398158 0.12371449 0.43441307 -9.95845363 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00260520-01 196724839 tox21-ror-cho-viability-p1 set3 4 0.0486071186 -4.707110772 3.5 -1.207110772 4.9549173134 0.4863355483 0.1930268875 -2.18581592 6.15597167 1.22692323 5.21558372 6.95760929 -2.29265441 -0.36962405 -0.07030906 -0.76097925 -2.09243165 -3.92259231 -2.04188542 -0.46703115 -2.07400915 -0.11036734 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.0000036909999999 0.000008252 0.000018449999999 0.000041259999999 0.00009226 1640-39-7 15427 144210172 A Fc 2,3,3-Trimethylindolenine CC1(C)c2ccccc2N=C1C Tox21_202974 -NCGC00260270-01 196724410 tox21-ror-cho-viability-p1 set3 4 0.0065828305 7.144053992 -6.144053992 1 3.9899729863 0.466720417 0.2096337739 1.52936237 -14.28671166 -5.43527731 -5.18265765 -1.01627726 2.13515418 0.15268055 0.73454021 0.40475956 2.32985537 4.61165075 0.47984868 -1.59169935 -1.03357945 2.06776307 3.276E-10 7.324E-10 1.638E-9 3.6619999999E-9 8.189E-9 1.831E-8 4.0939999999E-8 9.155E-8 2.0469999999E-7 4.578E-7 0.000001024 0.000002289 0.000005118 0.000011439999999 0.000025589999999 112-82-3 8213 144209920 F Fns 1-Bromohexadecane BrCCCCCCCCCCCCCCCC Tox21_202722 -NCGC00260054-01 196724426 tox21-ror-cho-viability-p1 set3 4 -5.59718277 -1.12965038 -4.7847609 0.24548244 0.49753094 -1.09622564 5.07310644 -3.85768066 1.76454575 -0.89180139 5.88902764 -2.84470733 -1.82445312 1.82429989 4.7928674 5.97E-10 1.335E-9 2.9849999999E-9 6.675E-9 1.4919999999E-8 3.3369999999E-8 7.462E-8 1.669E-7 3.7309999999E-7 8.343E-7 0.000001866 0.0000041719999999 0.000009328 0.00002086 0.00004664 53-70-3 5889 144209703 F A Dibenz(a,h)anthracene c1c4c5ccccc5ccc4cc3c1ccc2ccccc23 Tox21_202505 -NCGC00260385-01 196724838 tox21-ror-cho-viability-p1 set3 4 0.0122095562 7.583633148 -4.083633148 3.5 3.0654483358 0.4995170398 0.1797272412 -4.0990294 -1.1924193 -7.56969429 1.7613984 2.36996702 3.54548702 2.79257012 8.53784887 -0.78008024 3.29591003 7.44266589 5.63881359 6.37504255 -2.8894987 3.80490872 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.000041259999999 0.000092249999999 51-42-3 5815 144210037 F A Epinephrine bitartrate Oc1ccc(cc1O)[C@@H](O)CNC.O=C(O)[C@H](O)[C@@H](O)C(=O)O Tox21_202839 -NCGC00090874-04 196724841 tox21-ror-cho-viability-p1 set3 4 0.0246338054 12.3443430319 -12.8443430319 -0.5 4.9549173134 0.8905778502 0.0008848703 -10.18971109 -10.45200127 -14.22181333 -16.12028586 -2.34268445 -2.2664655 -1.25294339 2.3100843 -1.04773552 -1.49538235 1.67483088 0.56517174 -1.4196712 -0.84095875 -6.76406783 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00253942-01 196699169 tox21-ror-cho-viability-p1 set1 4 -0.02992003 -0.32698756 -0.10321197 -3.59280159 -0.03913092 0.90371152 -1.10843191 -0.37210237 -0.18425727 -0.73482763 -4.56579982 0.61819966 1.41371106 0.07032997 1.6922925 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-63-7 6545 144210497 AC F 2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C Tox21_300177 -NCGC00254664-01 196698750 tox21-ror-cho-viability-p1 set1 4 -1.56757641 -2.05236806 -0.62023021 -1.2590295 -1.05606095 -3.17569494 -1.03782501 0.12962826 -1.46081192 -5.0086133 -2.20583682 -1.94210741 -3.31522349 -1.26148243 4.5098013 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 50594-66-6 44073 144211077 A A Acifluorfen Clc2cc(ccc2Oc1cc(C(=O)O)c(cc1)[N+]([O-])=O)C(F)(F)F Tox21_300760 -NCGC00254040-01 196698752 tox21-ror-cho-viability-p1 set1 4 1.69126095 3.65969124 0.26051765 0.65265018 -7.50511089 0.40650326 3.5869146 3.63240024 2.18549626 1.30586096 2.18430408 -1.13365509 5.75268951 0.09709707 4.20426692 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58-55-9 2153 144210348 A A Theophylline O=C2c1ncnc1N(C)C(=O)N2C Tox21_300028 -NCGC00254094-01 196699170 tox21-ror-cho-viability-p1 set1 4 -1.60461964 -0.71051912 0.45729445 -0.75729278 1.1415053 1.02122022 2.16876534 0.30894243 1.80035949 -8.17651709 3.23614298 -0.93095337 5.67700474 1.70558119 0.58306391 5.191E-10 1.1609999999E-9 2.595E-9 5.803E-9 1.298E-8 2.9019999999E-8 6.488E-8 1.451E-7 3.244E-7 7.254E-7 0.000001622 0.0000036269999999 0.000008111 0.00001814 0.000040549999999 54-85-3 3767 144210513 A A Isoniazid O=C(NN)c1ccncc1 Tox21_300193 -NCGC00254926-01 196699179 tox21-ror-cho-viability-p1 set1 -2.4 37.1173771081 -37.679719796 1 -36.679719796 1.221561 0.8801515574 0.0007862026 3.01352642 2.74780602 4.70709173 0.27066817 2.33082504 -0.85597143 4.09513035 -2.9070396 -0.18217041 1.72889395 -3.6744418 -3.53484747 -7.92800762 -9.30242029 -27.23309983 7.7859999999E-10 1.7409999999E-9 3.893E-9 8.705E-9 1.947E-8 4.353E-8 9.733E-8 2.176E-7 4.8659999999E-7 0.000001088 0.000002433 0.0000054409999999 0.000012169999999 0.000027199999999 0.00006083 153233-91-1 153974 144211341 A A Etoxazole CC(C)(C)c1cc(OCC)c(cc1)C2N=C(OC2)c3c(F)cccc3F Tox21_301024 -NCGC00254485-01 196699181 tox21-ror-cho-viability-p1 set1 4 0.34976911 -0.88371765 -2.73847126 -0.61117885 -0.29732115 0.91584725 0.9510795 -0.78812661 -1.2471277 -1.56009026 -1.5552488 1.08577387 0.59644287 2.27167158 1.73409144 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-69-5 7670 144210922 A D N-Ethylaniline CCNc1ccccc1 Tox21_300605 -NCGC00254416-01 196699581 tox21-ror-cho-viability-p1 set1 4 0.75903948 6.2801212 5.57751779 0.72058188 3.54966452 0.45229849 3.29906603 0.53719032 2.89763332 2.74122978 -0.54108205 0.45863912 2.37935395 -0.13152165 0.56132306 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-59-7 5144 144210838 A A Safrole C=CCc1ccc2OCOc2c1 Tox21_300520 -NCGC00263564-01 196723264 tox21-ror-cho-viability-p1 set3 -1.2 2.9849294812 -46.7810699212 -2.40690293 -49.1879728512 4.9549173134 0.9578925539 0.0000086239 1.58155758 -3.83352304 -0.74791961 -4.84637758 -1.03157742 -2.70550645 -4.75601214 0.11810333 -5.33573403 -2.84294031 -5.82478088 -42.599546 -57.48747172 -40.26994043 -7.84329481 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 141505-33-1 3033825 170466128 A Levosimendan N#C/C(C#N)=N\Nc1ccc(cc1)C2=NNC(=O)C[C@H]2C Tox21_112191_1 -NCGC00091830-04 196722857 tox21-ror-cho-viability-p1 set3 4 27.3060203028 -13.909531916 1 -12.909531916 4.9549173134 0.5603477663 0.143263833 1.91284302 0.57340911 2.68770623 -1.51714924 2.6525923 -0.96443439 0.50239067 3.27079061 -8.26420692 1.59223636 3.63672415 3.2801588 0.83539029 -12.42460993 2.42188344 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00015928-05 196722869 tox21-ror-cho-viability-p1 set3 4 0.2371013766 12.156567876 -1.156567876 11 4.9549173134 0.5382024085 0.1451083655 3.86860128 -0.12904754 1.85857177 2.85413536 5.29602709 -5.21593724 -15.13047323 0 12.20416861 7.96630685 12.12626052 8.70278986 6.44418089 8.3626364 19.16073939 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59973-80-7 5472495 170466321 F Sulindac sulfone CS(=O)(=O)c1ccc(cc1)/C=C3\c2ccc(F)cc2C(CC(=O)O)=C3C Tox21_113524_1 -NCGC00253670-01 196723265 tox21-ror-cho-viability-p1 set3 2.1 14.9600854925 85.2545407681 0.139896176 85.3944369441 0.6 0.9234538197 0.0000820655 -1.19748281 -1.12973823 1.32648039 -0.14254222 2.99798309 2.17055319 2.57661533 2.64226903 11.6360563 15.12403209 24.67809474 31.88282998 32.33445145 33.5428397 68.03376171 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 96036-03-2 441130 170466350 D Fns Meropenem O[C@H](C)[C@H]3C(=O)N2C(=C(S[C@H]1C[C@H](NC1)C(=O)N(C)C)[C@H](C)[C@@H]23)C(=O)O Tox21_113794 -NCGC00247705-01 196723275 tox21-ror-cho-viability-p1 set3 2.1 38.2600922912 79.8693814369 -24.5434357154 55.3259457215 1.0999999999 0.8824130333 0.000713752 -18.20766007 -24.68180778 -27.01829206 -31.71928147 -20.19274509 -38.59895913 -33.92274968 -19.67079885 -11.47659547 -17.42750827 -15.05536658 -12.51688991 5.96932884 13.31682596 46.56980914 1.42E-9 3.175E-9 7.0989999999E-9 1.587E-8 3.549E-8 7.9369999999E-8 1.775E-7 3.9679999999E-7 8.874E-7 0.000001984 0.000004437 0.0000099209999999 0.000022179999999 0.000049609999999 0.0001109 26194-77-4 60196330 144206411 A A (S)-(+)-N-Ethylamphetamine hydrochloride Cl.C[C@H](NCC)Cc1ccccc1 Tox21_112858 -NCGC00256156-01 196700784 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -31.12814332 1.5 -29.62814332 4.9549173134 0.9428527878 0.0000175059 0.24211085 2.67660287 3.22252916 0.66452638 3.51323373 2.79715764 0.05656332 1.77917982 2.45631917 -1.57402718 3.88436381 2.60827264 -0.64878854 -0.13741855 -23.8567861 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3179-80-4 51392 144211658 A A N-[3-(Dimethylamino)propyl]dodecanamide CN(C)CCCNC(=O)CCCCCCCCCCC Tox21_301341 -NCGC00257531-01 196700792 tox21-ror-cho-viability-p1 set1 4 2.7306020303 5.7713874959 -2.7713874959 3 4.9549173134 0.4671396773 0.2097593071 -0.08119074 -0.32563362 -1.92266393 -2.29926919 1.17280513 -1.74773075 -8.55948958 -1.87824769 -7.06491408 -6.32252348 4.35055768 -0.0618856 1.65662663 3.96581713 4.44551026 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7631-86-9 24261 144211605 Silica O=[Si]=O Tox21_301288 -NCGC00256119-01 196700801 tox21-ror-cho-viability-p1 set1 4 0.968854161 -5.7081977279 -1 -6.7081977279 2.2526478767 0.4405607435 0.2516140347 -3.69305966 0.1278921 2.48640055 0.19317995 0.4051706 -3.5068179 -4.54364445 -0.22020419 1.26771611 -9.42071568 -9.75683144 -2.35605638 -9.62125151 -3.77819549 0.37966418 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6378-25-2 80786 144212118 A Z 2,4,5-Trichlorobenzenesulfonic acid Clc1cc(c(Cl)cc1Cl)S(=O)(=O)O Tox21_301801 -NCGC00255686-01 196701197 tox21-ror-cho-viability-p1 set1 4 -0.57158403 0.58205793 -8.89155037 -1.66939417 -3.09188336 -0.9572018 0.42290902 1.32615706 1.66046602 -0.99092633 0.11628455 -5.09645845 2.85835099 -2.85005517 6.11892799 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3391-86-4 18827 144212356 A A 1-Octen-3-ol C=CC(O)CCCCC Tox21_302039 -NCGC00260380-01 196724065 tox21-ror-cho-viability-p1 set3 4 24.4355457375 13.7565911119 -1.2565911119 12.5 4.9549173134 0.5761774763 0.1303027293 -7.29715926 -5.5798838 0.2015888 -1.50544254 -0.64391867 4.52680909 0.40723359 -4.88985953 1.03777979 0.44734333 -1.13305806 -2.63590063 1.40463259 11.58128735 4.07141474 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 4292-19-7 20282 144210032 F Bc Dodecane,1-iodo- CCCCCCCCCCCCI Tox21_202834 -NCGC00090965-04 196724048 tox21-ror-cho-viability-p1 set3 4 7.6958821542 -7.4858682439 4 -3.4858682439 4.9549173134 0.5121222677 0.1855198992 6.35506716 -0.56966126 1.66822453 3.85878815 8.84666275 4.21772665 4.43210709 6.42174102 -0.13028606 2.25298178 8.4787325 -1.0667034 -2.2761719 -4.57155687 3.45821327 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00260301-01 196724050 tox21-ror-cho-viability-p1 set3 4 0.3164326557 -5.0216773399 2 -3.0216773399 4.9549173134 0.4692074688 0.2252779127 -5.01806445 1.65500113 2.85776922 2.31914735 4.55380851 0.42232998 4.18343968 6.69947618 -2.90307156 -1.29412931 -4.33197758 -2.48683635 -2.31487214 -3.82115085 3.79131016 6.193E-10 1.3849999999E-9 3.0959999999E-9 6.924E-9 1.548E-8 3.4619999999E-8 7.741E-8 1.731E-7 3.8709999999E-7 8.655E-7 0.000001935 0.0000043269999999 0.000009676 0.00002164 0.00004838 7446-81-3 4068533 144209952 A Sodium 2-propenoate [Na+].[O-]C(=O)C=C Tox21_202754 -NCGC00260662-01 196724056 tox21-ror-cho-viability-p1 set3 4 -0.24835519 2.97656568 -4.74034606 4.1844738 -0.68113766 -0.49682214 0.64335426 5.58479763 1.50130573 4.19331874 6.05040385 1.9003137 1.02217727 4.52791522 2.99599315 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49558 144210315 M M NTP Mix32 AR2 7-EQP Tox21_203117 -NCGC00260122-01 196724068 tox21-ror-cho-viability-p1 set3 4 0.0169563652 7.962475308 -5.962475308 2 2.3331733767 0.5606617439 0.1274973022 -3.49835493 -2.30324586 -10.38539609 -9.1894225 0.18851712 -1.48390053 1.88924877 0.61242615 -1.72280978 3.29867701 -1.5963545 1.71418349 1.94790703 2.74052491 7.69334947 5.949E-10 1.33E-9 2.975E-9 6.652E-9 1.4869999999E-8 3.3259999999E-8 7.437E-8 1.663E-7 3.718E-7 8.314E-7 0.000001859 0.000004157 0.0000092959999999 0.00002079 0.000046479999999 123-94-4 24699 144209771 A Ac 1-Stearoyl-rac-glycerol OCC(O)COC(=O)CCCCCCCCCCCCCCCCC Tox21_202573 -NCGC00166288-02 196697892 tox21-ror-cho-viability-p1 set1 -2.1 11.577365042 -81.1247206457 -0.935859723 -82.0605803687 1.6258976909 0.9839039882 1.35E-8 -4.37849917 -1.77266545 2.11332998 1.41703541 -2.55702633 1.13247427 -3.25976386 2.19149089 -3.0819633 -3.1436414 -0.23957738 -5.65165374 -18.47904431 -36.09008671 -62.16710634 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 905-97-5 13486 170466500 A 3,3'-Diethylthiacarbocyanine iodide [I-].CCN3c4ccccc4SC3=CC=Cc2sc1ccccc1[n+]2CC Tox21_112392_1 -NCGC00016605-08 196697898 tox21-ror-cho-viability-p1 set1 4 0.28497842 0.27053556 0.78020629 0.56769829 1.76186218 -0.20241379 0.16404865 1.7153941 -0.03531899 -0.39125934 1.92208584 1.5369762 0.11938384 0.91119318 0.65486182 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2139-47-1 4487 170466050 A Nifenazone O=C3C(NC(=O)c1cccnc1)=C(C)N(C)N3c2ccccc2 Tox21_110519_1 -NCGC00179492-03 196697899 tox21-ror-cho-viability-p1 set1 4 -1.00731205 -1.41567935 -0.98960109 -0.90712396 -1.41069961 -1.09397109 0.4090184 -0.66013426 -1.70338029 -0.67165208 0.0527512 0.44660714 0.21948923 -1.73272075 6.85389719 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3385-03-3 82153 170465331 A Flunisolide OCC(=O)[C@@]54OC(C)(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3C[C@H](F)C1=CC(=O)C=C[C@@]12C Tox21_110725_1 -NCGC00094736-05 196697910 tox21-ror-cho-viability-p1 set1 4 2.17511782 -3.8563745 -1.19007684 2.27543233 0.58574608 -5.11957959 -0.0686649 -0.20917914 -4.6215821 -2.68995374 -0.2683311 1.2881077 -2.66454044 -2.97194057 -0.24924421 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 121-81-3 4511 170466818 A Nitromide O=[N+]([O-])c1cc(cc(c1)[N+]([O-])=O)C(N)=O Tox21_111321_1 -NCGC00168342-02 196706879 tox21-ror-cho-viability-p1 set1 4 2.1557664875 9.453523764 -10.953523764 -1.5 4.9549173134 0.393209487 0.2948848873 -15.37793647 -3.77154621 -9.85926703 -14.35576561 -11.1351064 -8.44865968 -14.44686484 -13.6296716 -2.70321093 -13.05952966 7.03396962 -0.39140494 -1.55529465 -10.22171645 -9.32232157 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00258911-01 196709353 tox21-ror-cho-viability-p1 set2 -2.2 46.638306627 -54.8574317847 1.9881826979 -52.8692490868 3.1319983358 0.9773787361 9.68E-8 1.74067175 0.99367042 2.22833078 -1.68630681 3.308459 1.75907493 -0.30386111 2.85658783 0.68161856 2.2785555 0.02386786 4.12327855 4.02309699 -19.74006416 -46.11306749 1.141E-9 2.5509999999E-9 5.7039999999E-9 1.2749999999E-8 2.852E-8 6.377E-8 1.426E-7 3.1879999999E-7 7.1299999999E-7 0.000001594 0.0000035649999999 0.000007971 0.00001782 0.000039859999999 0.00008912 52214-84-3 2763 144208557 A A Ciprofibrate ClC2(Cl)CC2c1ccc(OC(C)(C)C(=O)O)cc1 Tox21_201359 -NCGC00257401-01 196707297 tox21-ror-cho-viability-p1 set1 -2.1 47.8672260671 -106.790424208 0.637037506 -106.153386702 1.5094870999 0.9689556232 5.891E-7 8.21039259 0.48950055 1.15386516 0.20687306 -0.21398601 0.79281814 2.19965702 2.60656629 -0.00603151 -8.79264646 -0.60184993 -10.57136334 -20.36423551 -39.15947973 -80.41923235 1.166E-9 2.608E-9 5.832E-9 1.304E-8 2.9159999999E-8 6.5199999999E-8 1.458E-7 3.26E-7 7.2889999999E-7 0.0000016299999999 0.000003645 0.00000815 0.00001822 0.00004075 0.00009112 140-72-7 8816 144213748 A A Cetylpyridinium bromide [Br-].CCCCCCCCCCCCCCCC[n+]1ccccc1 Tox21_303438 -NCGC00259637-01 196706867 tox21-ror-cho-viability-p1 set1 4 9.80442142 -0.68993688 4.54990312 8.32812458 2.32379775 1.29721793 3.44149166 1.30897662 6.6226175 9.06791015 2.61895669 0.42632498 0.4070711 3.05112659 5.00908293 1.188E-9 2.656E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.641E-8 1.4849999999E-7 3.321E-7 7.425E-7 0.0000016599999999 0.000003712 0.0000083009999999 0.00001856 0.000041509999999 0.00009281 124-09-4 16402 144209286 A F 1,6-Hexanediamine NCCCCCCN Tox21_202088 -NCGC00256822-01 196707295 tox21-ror-cho-viability-p1 set1 4 3.62730026 1.42520914 -1.94222873 2.17747137 1.49885905 1.50660991 5.6003726 1.89094826 5.0218549 -1.44530409 -1.43963073 -0.12685685 4.61691647 0.41481301 2.40026075 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2305-05-7 16821 144212934 A A gamma-Dodecalactone O=C1CCC(CCCCCCCC)O1 Tox21_302617 -NCGC00257118-01 196707300 tox21-ror-cho-viability-p1 set1 4 -3.93418864 -5.65093723 3.33194254 -4.62034565 -5.60225852 1.4601566 3.200069 0.13334535 -9.47281143 -6.09165167 -0.15460142 -0.78980639 -8.66172929 -3.13579076 -11.89051632 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 836-30-6 13271 144213650 A A 4-Nitro-N-phenylaniline [O-][N+](=O)c2ccc(Nc1ccccc1)cc2 Tox21_303333 -NCGC00256324-01 196707695 tox21-ror-cho-viability-p1 set1 4 -0.29030802 -0.01484528 -2.71712794 -0.66873469 1.46332534 -1.12107387 0.41860469 -0.32810227 -1.62267811 -0.15764672 -9.23958027 0.47650631 2.48210677 1.84205528 2.24437488 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-17-3 7284 144213183 F 2-Methylbutanal CC(CC)C=O Tox21_302866 -NCGC00256634-01 196707697 tox21-ror-cho-viability-p1 set1 2.4 61.130564862 20.4077629561 0.0922370439 20.5 3.6272481694 0.7591859039 0.0169780764 0.49464917 -3.41889174 -4.50646913 -3.78085347 0.1263812 -2.22749715 1.52921966 1.34824596 2.10042461 1.08137582 3.24417966 3.37095877 -0.81173396 4.25525721 16.54705074 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1679-51-2 15512 144212954 A A Cyclohex-3-en-1-ylmethanol OCC1CC=CCC1 Tox21_302637 -NCGC00257008-01 196707700 tox21-ror-cho-viability-p1 set1 4 -12.48487873 -6.17931019 -9.93320269 -8.13321756 -13.528935 0.98596536 -14.39927702 -6.41842849 -14.39907531 -19.2368312 -13.28450187 -20.24878638 -13.5850066 -11.01235648 -22.08374373 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 84-61-7 6777 144213449 A A Dicyclohexyl phthalate O=C(OC1CCCCC1)c3ccccc3C(=O)OC2CCCCC2 Tox21_303132 -NCGC00244579-01 196707704 tox21-ror-cho-viability-p1 set1 -2.4 54.4826732819 -28.7700997719 -1.5 -30.2700997719 3.1319983358 0.9041989491 0.0002611447 0.79605761 1.41200336 -0.92772367 -2.11803438 -3.55165155 -2.59568197 -6.36663261 -0.35698823 -2.11304325 -2.23786668 0.82731064 -3.06007355 0.29793655 -9.7164951 -25.64174981 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00257458-01 196707709 tox21-ror-cho-viability-p1 set1 4 0.14948317 6.13206887 4.62142091 0.37524936 1.21586072 0.97674746 -2.12824823 6.60017896 3.4724907 -0.23993161 4.08494638 4.6588616 2.96333462 5.61687535 6.65795102 7.196E-10 1.609E-9 3.5979999999E-9 8.046E-9 1.7989999999E-8 4.023E-8 8.995E-8 2.011E-7 4.4979999999E-7 0.000001006 0.000002249 0.000005029 0.000011239999999 0.00002514 0.000056219999999 112-56-1 8196 144213852 A A 2-(2-Butoxyethoxy)ethyl thiocyanate N#CSCCOCCOCCCC Tox21_303547 -NCGC00257356-01 196707713 tox21-ror-cho-viability-p1 set1 4 11.8550446606 15.4911955439 -3.4911955439 12 1.692447691 0.6046424858 0.0939991996 -2.6231497 -0.33796378 -4.36566861 -7.01490282 -0.68382002 2.33966284 -5.40522435 -4.29253317 -4.64514108 -10.40932962 -5.64798653 1.4686539 -0.07606166 4.36493929 9.82428493 4.011E-10 8.9689999999E-10 2.006E-9 4.485E-9 1.003E-8 2.2419999999E-8 5.014E-8 1.121E-7 2.507E-7 5.606E-7 0.000001253 0.0000028029999999 0.000006267 0.00001401 0.00003134 120511-73-1 2187 144213873 A A Anastrozole N#CC(C)(C)c1cc(cc(c1)C(C)(C)C#N)Cn2cncn2 Tox21_303568 -NCGC00257282-01 196726925 tox21-ror-cho-viability-p1 set3 4 68.5896218971 13.933109644 -0.933109644 13 3.2474983358 0.4421309175 0.2330803665 -2.35690047 0.56637071 1.12914436 0.87560832 -0.14629522 1.24229295 -0.45684545 1.59162587 -9.52759137 -6.55285283 0 -1.77995747 0.87622554 1.16127921 9.3889394 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1632-73-1 15406 144213806 A A Fenchol CC12CCC(C1)C(C)(C)C2O Tox21_303498 -NCGC00256836-01 196726930 tox21-ror-cho-viability-p1 set3 4 1.1813971 0.55015086 2.3598679 1.10314658 0.55910996 1.97207562 1.46317148 -1.02371127 4.19210915 -0.91188525 4.28519993 0.27150794 4.32704255 2.85043676 2.18623897 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-79-2 6553885 144212846 A A Isopulegol CC(=C)[C@@H]1CC[C@@H](C)C[C@@H]1O Tox21_302529 -NCGC00256854-01 196726908 tox21-ror-cho-viability-p1 set3 4 38.5707788719 -12.7687223479 1 -11.7687223479 2.2526478767 0.9175937669 0.0001241754 -0.16725671 1.73908604 1.49932228 -0.61484981 -0.35857488 1.36769265 1.00245883 1.49425962 0.26160196 1.85974499 2.92420066 -0.2335183 -0.69403062 -5.68778181 -10.22393529 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-19-4 6873 144212832 A A Isobutyl salicylate Oc1ccccc1C(=O)OCC(C)C Tox21_302515 -NCGC00256943-01 196726924 tox21-ror-cho-viability-p1 set3 4 -1.45635382 1.72030714 -1.83559156 -3.6127985 0.21813057 -0.93860359 -0.77573406 -4.12847453 -0.7204285 -3.481005 -2.51346869 -3.7049853 0.02651303 -0.08144166 1.09630599 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-96-2 7211 144213570 A I 2-Ethyl-1,3-hexanediol CCCC(O)C(CC)CO Tox21_303253 -NCGC00091468-02 196727331 tox21-ror-cho-viability-p1 set3 4 -1.27100442 -1.25845737 -6.23531862 -4.73025875 -1.44752404 -7.73466854 -1.58656616 -12.08305216 -0.89092245 0 0 -3.54453605 0.14770358 -1.88051789 1.31763513 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00256507-01 196727333 tox21-ror-cho-viability-p1 set3 4 0.0485577337 5.59196848 -5.09196848 0.5 4.9549173134 0.6334658282 0.0754518453 -1.19650457 -2.34756397 -8.8266404 -7.5057109 -6.18585976 -0.01721048 -0.91048868 2.24634751 -0.12458929 -0.42217021 1.54005562 -1.12805447 0.49883005 1.06750077 -0.52591821 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 103-85-5 676454 144213315 A A 1-Phenyl-2-thiourea S=C(N)Nc1ccccc1 Tox21_302998 -NCGC00257040-01 196727346 tox21-ror-cho-viability-p1 set3 4 1.05009634 0.62809257 -1.09398698 -0.87589305 1.85644436 -2.45106208 1.00408254 -2.0211776 1.7703981 7.54434204 1.93432889 7.96226541 1.11815144 -1.77281421 0.22114501 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 919-30-2 13521 144213647 F Fns 3-Aminopropyltriethoxysilane CCO[Si](OCC)(OCC)CCCN Tox21_303330 -NCGC00256907-01 196727744 tox21-ror-cho-viability-p1 set3 4 5.4482673282 8.5078052799 -0.5078052799 8 4.9549173134 0.5904702629 0.1189308414 -0.83129535 -0.42825382 4.85685708 0.03331623 2.35520445 0.7130382 -1.0458179 -6.2565044 -1.74513494 -2.37387786 -3.09091847 11.32311499 7.14208388 5.62250689 -2.57878456 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2338-76-3 75360 144213031 A A [3-(Trifluoromethyl)phenyl]acetonitrile FC(F)(F)c1cccc(CC#N)c1 Tox21_302714 -NCGC00256576-01 196727753 tox21-ror-cho-viability-p1 set3 4 2.29613454 0.63672277 -0.12636576 -3.63367791 -4.70152085 -0.79369826 -3.46634848 0.43369812 -2.64776572 -2.95216529 -3.1977486 14.79478806 0.18056328 0.8943429 0.05390723 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-42-9 24685 144213290 A A Propham CC(C)OC(=O)Nc1ccccc1 Tox21_302973 -NCGC00257066-01 196727761 tox21-ror-cho-viability-p1 set3 4 0.21605682 -1.21430238 2.3070552 1.39713175 2.88186599 -1.34564042 2.53606458 3.01043868 2.61998739 -1.26348243 -0.16954509 -0.09263933 0.97545302 -0.24167213 -1.35992469 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1852-16-0 15817 144213438 A A N-(Butoxymethyl)acrylamide CCCCOCNC(=O)C=C Tox21_303121 -NCGC00255149-01 196728171 tox21-ror-cho-viability-p1 set3 4 7.6958821542 -8.4727211639 2 -6.4727211639 4.9549173134 0.4165000207 0.256483896 0 2.12606811 -2.36985578 9.65850243 -0.68167503 6.67155319 -2.99932218 8.26560982 -2.21750129 -2.51478401 7.26572739 -3.47349409 -6.39118733 -5.21079861 -7.06060097 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6965-71-5 97971 144212199 A A alpha-(2,5-Dichlorophenoxy)propionic acid Clc1ccc(Cl)cc1OC(C)C(=O)O Tox21_301882 -NCGC00255662-01 196728173 tox21-ror-cho-viability-p1 set3 4 0.71158601 3.23614539 8.41087168 2.6468366 -0.50921661 -16.12731127 1.93350236 1.86188895 -4.64976862 -3.68057426 -8.12476204 0.38781341 -3.87856949 14.31384997 1.79911066 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1928-47-8 15998 144212229 A A 2,4,5-T-2-ethylhexyl Clc1cc(OCC(=O)OCC(CC)CCCC)c(Cl)cc1Cl Tox21_301912 -NCGC00091380-04 196728174 tox21-ror-cho-viability-p1 set3 4 -0.08882616 -4.16997442 0.23609869 -0.17236173 11.01859588 1.92112811 0.08636826 -0.97271329 1.60189925 -1.43738151 -2.74739373 -7.59568435 -0.07134131 -2.155769 0.73198159 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00357137-01 196724108 tox21-ror-cho-viability-p1 set3 4 0.0108707225 -6.0219740879 5.5 -0.5219740879 3.9294729863 0.411309391 0.2632349196 1.2342511 7.7331366 6.92364251 1.10061907 -0.08215286 -6.26831174 -3.31679548 1.25141666 -3.35945814 2.00287743 2.84441714 1.75758079 0.79889235 -0.69032986 1.06051187 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-85-2 7623 251919839 F Tributyl phosphite CCCCOP(OCCCC)OCCCC Tox21_303877 -NCGC00024196-05 196697946 tox21-ror-cho-viability-p1 set1 4 0.0029849295 5.973748824 -0.473748824 5.5 4.9549173134 0.3200585891 0.350941839 0.4380161 -1.22812402 2.32969412 7.04999153 10.75650663 4.634166 3.72245275 5.19885044 11.42876379 4.77654468 0.26902086 5.58777389 3.62077396 0.73840575 5.42088288 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 595-33-5 11683 170465406 A Megestrol acetate CC(=O)[C@@]3(OC(C)=O)CC[C@H]2[C@@H]4C=C(C)C1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_110469_1 -NCGC00260586-01 196724099 tox21-ror-cho-viability-p1 set3 4 0.001333319 15.3778557799 -13.3778557799 2 0.8999999999 0.4494803325 0.2254478634 -11.14821315 -2.56064688 -1.14868237 -5.32523544 -1.39177396 2.83497016 1.11420561 9.73376384 2.33481558 0.98591602 -5.31311194 2.47021728 3.47646501 -2.16287309 5.16542891 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49482 144210239 M M NTP Mix45 CT1 3-EQP Tox21_203041 -NCGC00090760-08 196724112 tox21-ror-cho-viability-p1 set3 4 0.3833555157 -10.8641673 6 -4.8641673 4.9549173134 0.6832820177 0.0460521361 -3.07041319 6.52786213 4.52380434 2.74574824 8.29308796 8.95766254 12.32647044 3.15356897 -7.80347275 -3.60156852 -2.04485056 -1.97060976 -6.44108709 -5.90116338 -7.74394077 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00016543-07 196697947 tox21-ror-cho-viability-p1 set1 4 -1.78421906 -1.32383379 1.21602323 -2.07633141 -0.23414628 -4.64566598 -1.71673363 6.43238316 -9.18893951 1.60066455 -12.41777453 -6.18719502 -4.79901377 -2.1025504 -5.96397972 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 834-28-6 13266 170466230 A Phenformin hydrochloride Cl.N=C(N)NC(=N)NCCc1ccccc1 Tox21_111185_1 -NCGC00181340-02 196697954 tox21-ror-cho-viability-p1 set1 4 0.09184276 0.66255203 -0.64365291 1.57521512 1.45161482 -0.89090213 3.72788073 10.9473139 0.71533237 0.69819312 -0.06486357 2.36081283 -0.00375799 2.05005712 -0.93442195 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27589-33-9 2273 170465933 A Azosemide NS(=O)(=O)c2cc(c(NCc1cccs1)cc2Cl)c3nnnn3 Tox21_112799_1 -NCGC00022019-03 196698375 tox21-ror-cho-viability-p1 set1 4 0.02852869 1.57776304 2.54903518 0.76206572 4.6359242 2.16693743 4.03188053 3.70946225 1.52841294 -0.03604793 0.35949955 4.00775249 -1.97011001 -3.29144586 2.28114666 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25122-57-0 71386 170465575 A Clobetasone butyrate ClCC(=O)[C@@]3(OC(=O)CCC)[C@@H](C)C[C@H]2[C@@H]4CCC1=CC(=O)C=C[C@]1(C)[C@@]4(F)C(=O)C[C@@]23C Tox21_112691_1 -NCGC00254340-01 196698775 tox21-ror-cho-viability-p1 set1 4 0.46919921 3.49636819 0.40242587 0.73811322 1.17496491 1.3987364 1.94758354 -6.119578 1.39316101 0.53261095 1.19572908 1.52721869 -0.65836922 2.27034881 2.74797396 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65-23-6 1054 144210683 A A Pyridoxine Oc1c(CO)c(cnc1C)CO Tox21_300365 -NCGC00254889-01 196698785 tox21-ror-cho-viability-p1 set1 4 -0.16776209 4.83237498 1.85179544 1.08651679 2.14068565 1.481681 -2.25756419 -0.93646869 0.94323117 -1.68335279 -0.67103843 2.02654056 -0.23426843 1.06063166 1.81929325 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-17-1 8096 144211304 A A Bis(2-carboxyethyl) sulfide OC(=O)CCSCCC(O)=O Tox21_300987 -NCGC00254530-01 196698788 tox21-ror-cho-viability-p1 set1 4 2.38656828 0.13009094 0.85228025 1.53214702 -0.40677356 -1.62623506 -4.56706406 0.76311046 0.07471587 -5.07572739 -3.58501288 -3.25641259 0.93267486 0.73690569 0.43880762 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 375-85-9 67818 144210933 Perfluoroheptanoic acid FC(F)(C(F)(F)C(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300616 -NCGC00254394-01 196698792 tox21-ror-cho-viability-p1 set1 4 4.35017713 1.16495819 -2.272565 2.70035482 -0.08205441 4.34569517 2.93797745 0.34795699 -0.93283757 1.3030413 1.93946469 3.72138468 1.16320693 -0.35107592 -0.63274826 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 553-26-4 11107 144210894 A A 4,4'-Bipyridine c1cc(ccn1)c2ccncc2 Tox21_300577 -NCGC00090780-04 196698794 tox21-ror-cho-viability-p1 set1 -2.4 76.9588215421 -25.960548924 -2.5 -28.460548924 2.2526478767 0.7116662294 0.0332445402 -3.97505509 0.56970584 -7.00131506 -4.31042433 0.52240038 0.06300069 -2.87011821 -6.93977339 1.64781838 0.02839434 -0.46956686 -3.89234083 -6.30038364 -5.16211201 -20.38379077 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00091086-02 196698796 tox21-ror-cho-viability-p1 set1 4 -3.68638259 3.14569431 0.47140823 2.2287115 0.74536117 0.31910633 1.96402776 -3.687169 2.01349855 5.93202404 4.76471911 0.2748796 3.30092257 3.83399218 5.89719416 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00254436-01 196699161 tox21-ror-cho-viability-p1 set1 4 1.0005324 2.69500196 2.23787028 2.34503689 1.97521435 4.08982661 5.49804677 2.28861285 -1.7083074 3.54929075 3.95797795 1.32819538 2.43864595 2.6603731 0.55606899 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-06-6 7366 144210858 FNS tert-Butylbenzene CC(C)(C)c1ccccc1 Tox21_300540 -NCGC00255051-01 196698730 tox21-ror-cho-viability-p1 set1 4 48.5577336745 10.279432464 -0.279432464 10 3.1319983358 0.5477615427 0.1391065651 1.04616154 -0.59595058 -6.06619372 -0.72097797 -1.34848368 -0.86403811 -0.05258494 0.33333447 -0.6004919 5.51359813 0.74901886 -0.55866861 0.20745519 3.5299295 8.90068132 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7786-34-7 5355863 144211470 F Mevinphos O=P(OC)(OC)OC(/C)=C/C(=O)OC Tox21_301153 -NCGC00254722-01 196698736 tox21-ror-cho-viability-p1 set1 4 0.68012715 0.21199061 -0.21647124 -4.61300231 -0.2397624 -5.47182547 0.66218205 -0.28378566 -0.12689309 -6.66575207 -4.15532732 1.38376016 -3.48491529 4.40518636 2.27863133 1.547E-9 3.458E-9 7.733E-9 1.7289999999E-8 3.867E-8 8.646E-8 1.933E-7 4.3229999999E-7 9.666E-7 0.0000021609999999 0.000004833 0.00001081 0.00002417 0.00005404 0.0001208 83164-33-4 91735 144211135 A A Diflufenican Fc3ccc(NC(=O)c2cccnc2Oc1cccc(c1)C(F)(F)F)c(F)c3 Tox21_300818 -NCGC00254239-01 196699158 tox21-ror-cho-viability-p1 set1 4 61.130564862 12.4519965839 -2.9519965839 9.5 4.0949729863 0.6266007317 0.0798633419 -4.12975603 -3.83432761 -6.62666382 -4.24699494 -2.80312069 0.05809635 -2.03989889 0.43282116 -4.37379872 -4.93220262 0.36879589 -0.94882701 -3.36676248 -0.94469579 7.51093716 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58394-64-2 94037 144210642 D Benzyloctyl adipate CCC(CCCC)COC(=O)CCCCC(=O)OCc1ccccc1 Tox21_300324 -NCGC00253975-01 196699162 tox21-ror-cho-viability-p1 set1 4 21.6678872078 -11.477784552 -1 -12.477784552 4.9549173134 0.5795544492 0.1279394704 -0.3863219 2.02640389 -2.14425271 -8.92094278 0.71406447 0.82817081 0.07725095 0.5713685 -0.82861316 -2.99159415 0.42687752 -0.21341979 -4.88144008 -12.06482046 2.5308125 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 56-81-5 753 144210464 A Glycerol OCC(O)CO Tox21_300144 -NCGC00254893-01 196699571 tox21-ror-cho-viability-p1 set1 4 -3.39275334 -0.79696856 -0.0779053 0.64363576 -5.71295412 0.74689703 -4.58479467 -3.11020971 -8.03684022 -5.93089667 -3.49826739 -2.70752413 -6.7893485 -1.54622167 -3.54908427 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-12-1 7693 144211308 Ac 4-Chlorophenyl isocyanate Clc1ccc(/N=C=O)cc1 Tox21_300991 -NCGC00254705-01 196699574 tox21-ror-cho-viability-p1 set1 -1.1 1.3685428777 -85.961791319 1.377139118 -84.584652201 1.6266150999 0.9645186218 0.0000012514 2.05563812 -1.43373089 0.00762691 2.24566193 1.58388871 -0.61135834 -1.28305557 -1.98621329 -21.40001157 -49.02392375 -82.23238079 -59.10924082 -79.20752962 -93.98294689 -89.12997236 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2425-06-1 17038 144211118 A I Captafol ClC(Cl)C(Cl)(Cl)SN2C(=O)C1CC=CCC1C2=O Tox21_300801 -NCGC00254885-01 196699576 tox21-ror-cho-viability-p1 set1 -1.1 27.3060203028 -79.3691775499 1.2742303759 -78.094947174 4.9549173134 0.9808602274 3.68E-8 6.58143333 0.91284469 -0.74438626 2.29614341 -1.67010562 7.95171878 -6.06712853 -0.33397429 -1.84721758 6.46467858 -0.32084105 0.98669767 -8.95712096 -70.86588392 -76.5636737 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 587-65-5 11485 144211300 A B 2-Chloro-N-phenylacetamide O=C(Nc1ccccc1)CCl Tox21_300983 -NCGC00254821-01 196699983 tox21-ror-cho-viability-p1 set1 4 -3.04002202 -3.19277868 1.34446133 0.0388983 -1.00116066 0.6189672 -2.25006737 -3.15994776 -1.16405272 -1.67822729 -0.47426025 0.64267068 -0.37211614 -0.22813153 -1.68211861 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1582-09-8 5569 144211235 A A Trifluralin [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)C(F)(F)F Tox21_300918 -NCGC00253922-01 196699984 tox21-ror-cho-viability-p1 set1 4 61.130564862 14.1188743719 -1.6188743719 12.5 3.2974983358 0.8471519227 0.0025213992 -3.13969514 -3.43239531 -0.11951502 -2.84737081 -2.90006749 -1.89839378 -2.51539174 -3.00623906 -0.55926576 -1.26964054 -1.60269781 1.21318202 -1.10923888 1.12993085 9.73445275 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-91-8 7965 144210358 FC Cyclohexylamine NC1CCCCC1 Tox21_300038 -NCGC00255035-01 196699177 tox21-ror-cho-viability-p1 set1 4 61.130564862 10.850042996 -0.350042996 10.5 4.9549173134 0.5331001097 0.1515504589 -0.93507054 -0.9867491 -0.78110895 -0.75641863 -2.53700619 2.83926411 5.50463955 -0.26104748 0.51396118 -0.34405898 -3.62503583 0.93985836 -3.26382656 0.9868592 9.07319171 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-59-1 7996 144211453 Ac 2-Isopropoxyethanol CC(C)OCCO Tox21_301136 -NCGC00257518-01 196698766 tox21-ror-cho-viability-p1 set1 4 -5.45367575 1.38217368 0.68342455 -1.89109538 -4.962041 1.52344345 1.21499588 -0.78124468 -5.4979881 1.49074999 -0.27438331 -13.81434613 -6.83228554 0.65545326 -1.23905444 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-03-2 326 144211029 B 4-Isopropylbenzaldehyde CC(C)c1ccc(C=O)cc1 Tox21_300712 -NCGC00259083-01 196708962 tox21-ror-cho-viability-p1 set2 4 4.80653021 -0.18594517 0.58464131 -1.94787693 -0.01194312 -1.09467756 -0.63644957 0.4395893 -0.48935879 -1.1305601 -0.89283782 0.23213112 0.39121711 -0.04039162 -4.10934891 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.96E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 123-07-9 31242 144208731 A Ac 4-Ethylphenol CCc1ccc(O)cc1 Tox21_201533 -NCGC00259681-01 196708945 tox21-ror-cho-viability-p1 set2 4 4.9623419 4.10667265 -2.79395544 -0.96186397 -0.2297731 0.57262091 -0.22495714 -0.68839479 -1.03311376 -0.2218726 -0.18785469 0.19795954 -1.69016335 1.31832243 6.31494781 1.249E-9 2.7929999999E-9 6.2449999999E-9 1.3959999999E-8 3.123E-8 6.9819999999E-8 1.5609999999E-7 3.491E-7 7.8059999999E-7 0.0000017459999999 0.000003903 0.000008728 0.00001952 0.000043639999999 0.00009758 59-89-2 6046 144209330 A A N-Nitrosomorpholine O=NN1CCOCC1 Tox21_202132 -NCGC00090760-08 196708949 tox21-ror-cho-viability-p1 set2 4 60.7577547203 -11.82542232 2 -9.82542232 3.2974983358 0.782300343 0.0116856138 0.57652673 2.13486597 0.21218932 0.65501417 1.86609122 1.54258177 1.78414994 3.10798965 5.30252601 1.58640121 3.21864214 0.92258468 1.0549476 -0.37942237 -7.3545186 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00259504-01 196708955 tox21-ror-cho-viability-p1 set2 4 2.10149585 0.78026064 2.57297323 1.46687516 0.54562107 -0.21454231 0.66732054 3.0605409 1.92039646 0.63259714 0.45782112 0.51867185 3.20204662 0.21922212 -0.35764896 1.2009999999E-9 2.686E-9 6.005E-9 1.3429999999E-8 3.003E-8 6.714E-8 1.501E-7 3.3569999999E-7 7.507E-7 0.000001679 0.000003753 0.000008393 0.000018769999999 0.00004196 0.000093829999999 1563-66-2 2566 144209153 A A Carbofuran CNC(=O)Oc1cccc2CC(C)(C)Oc12 Tox21_201955 -NCGC00259191-01 196709357 tox21-ror-cho-viability-p1 set2 4 -0.18241732 0.09973182 2.65218701 0.63907245 1.68018226 1.9191717 1.73015464 1.23815854 -0.23790626 1.34267787 1.77772664 1.97847804 4.81176249 0.88596152 0.27571621 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.96E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 3337-71-1 18752 144208840 D Asulam Nc1ccc(cc1)S(=O)(=O)NC(=O)OC Tox21_201642 -NCGC00259259-01 196709365 tox21-ror-cho-viability-p1 set2 4 2.82325373 2.69885289 -0.07257627 1.9034558 0.24399534 2.81832802 2.4003593 1.74504413 4.05392895 1.23136575 0.76730471 0.25481072 1.1963343 1.55554809 -1.20971163 1.193E-9 2.667E-9 5.963E-9 1.333E-8 2.981E-8 6.6659999999E-8 1.491E-7 3.3329999999E-7 7.4529999999E-7 0.0000016669999999 0.0000037269999999 0.000008333 0.00001863 0.00004167 0.00009317 770-35-4 92839 144208908 A A 1-Phenoxy-2-propanol CC(O)COc1ccccc1 Tox21_201710 -NCGC00259413-01 196709377 tox21-ror-cho-viability-p1 set2 -2.1 30.4821390594 -76.650905516 -0.6038458599 -77.2547513759 2.8472712143 0.9914812201 3E-10 0.22211616 -1.30571315 0.56475925 -0.56589936 -0.37917776 -0.12371963 -3.34549878 0.20587446 0.5034065 -1.60425698 -0.0473289 -2.76389756 -18.89002803 -53.90283144 -80.47369935 1.175E-9 2.628E-9 5.875E-9 1.314E-8 2.938E-8 6.569E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.00004106 0.0000918 55406-53-6 62097 144209062 A A 3-Iodo-2-propynyl-N-butylcarbamate O=C(NCCCC)OCC#CI Tox21_201864 -NCGC00259561-01 196709778 tox21-ror-cho-viability-p1 set2 4 -0.82892718 -0.58316463 1.50413538 -0.10415527 -0.47580554 1.15258228 -0.11402798 1.57560413 0.46942878 2.65717321 2.78588375 -0.31946574 2.66264062 2.52053254 2.02707336 1.162E-9 2.598E-9 5.808E-9 1.299E-8 2.9039999999E-8 6.494E-8 1.4519999999E-7 3.247E-7 7.2599999999E-7 0.000001623 0.0000036299999999 0.000008117 0.000018149999999 0.00004059 0.00009076 109-60-4 7997 144209210 FNS Propyl acetate CC(=O)OCCC Tox21_202012 -NCGC00255986-01 196709779 tox21-ror-cho-viability-p1 set2 4 1.41911897 6.37660432 2.19764155 2.63369543 1.62534171 2.1910954 0.18728093 2.19007228 0.65551968 0.78724235 1.16030502 0.81938908 0.02463476 3.70085968 6.10007721 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-71-3 66755 144211700 A A 2-Ethoxyphenol CCOc1ccccc1O Tox21_301383 -NCGC00091146-04 196706491 tox21-ror-cho-viability-p1 set1 -2.4 19.3311819617 -21.4203709359 -3 -24.4203709359 3.9899729863 0.7133742398 0.032370659 -10.20855208 -5.21761312 -1.11128815 -3.51813608 0.5900941 -6.30084341 -0.48024266 -3.62377245 5.20796118 -13.86034328 -0.37896921 0.15675599 -13.74175306 -24.51697578 -22.64149139 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00259066-01 196706480 tox21-ror-cho-viability-p1 set1 4 0.34858258 -1.25343716 1.23131816 -2.5539785 -0.907436 -3.52004813 -3.16349983 -1.98952644 -0.53037422 0 -4.52265832 -2.15532531 -0.09187412 -1.26831933 -4.32573859 1.19E-9 2.6619999999E-9 5.9519999999E-9 1.331E-8 2.976E-8 6.655E-8 1.4879999999E-7 3.3269999999E-7 7.44E-7 0.0000016639999999 0.00000372 0.0000083179999999 0.0000186 0.00004159 0.000093 2164-09-2 16560 144208714 A A Chloranocryl Clc1ccc(NC(=O)C(=C)C)cc1Cl Tox21_201516 -NCGC00259846-01 196706488 tox21-ror-cho-viability-p1 set1 4 30.980905983 -17.105038252 1.5 -15.605038252 4.9549173134 0.6942855081 0.0501252936 2.32215375 -1.24078932 2.3978346 -1.67717435 1.4713855 0.09484078 1.30956673 2.57275619 5.23130137 5.66230957 -3.20604641 -1.63245746 3.18211789 -14.67086521 -0.01427125 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.33E-7 7.445E-7 0.000001665 0.0000037229999999 0.000008324 0.00001861 0.00004162 0.00009306 631-64-1 12433 144209495 A A Dibromoacetic acid BrC(Br)C(=O)O Tox21_202297 -NCGC00259379-01 196706490 tox21-ror-cho-viability-p1 set1 4 -0.67575154 2.41551895 -3.83244669 -2.92001577 -2.97610495 0.13089072 -0.75217264 -4.54866376 -0.31796976 5.18844007 2.52868102 -2.46903012 -0.49547069 0.4225656 0.32389988 1.163E-9 2.601E-9 5.8149999999E-9 1.2999999999E-8 2.908E-8 6.502E-8 1.454E-7 3.2509999999E-7 7.269E-7 0.000001625 0.0000036349999999 0.000008127 0.00001817 0.00004064 0.00009087 111-14-8 8094 144209028 A A Heptanoic acid CCCCCCC(=O)O Tox21_201830 -NCGC00259835-01 196706493 tox21-ror-cho-viability-p1 set1 4 6.8241009061 -13.1568806519 2 -11.1568806519 4.9549173134 0.6191245112 0.0836113552 4.79104162 10.62584552 1.4433755 -6.60722656 2.52256832 2.43506881 -5.07279285 7.96980118 3.21393377 -0.122489 2.96114587 -8.15363531 -6.27728267 -13.20389775 -13.46406721 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.938E-8 6.568E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.000041049999999 0.0000918 121-79-9 4947 144209484 A A Propyl gallate Oc1cc(cc(O)c1O)C(=O)OCCC Tox21_202286 -NCGC00257767-01 196729431 tox21-ror-cho-viability-p1 set3 -3 61.6904908231 -50.7909197476 -1.176423986 -51.9673437336 4.9549173134 0.9745149238 1.919E-7 -0.81953804 0.11812952 -0.70889928 -0.22586732 0.7584115 -1.24803641 -1.26745184 -6.41947494 -0.84382901 0.13032832 -1.70614889 -4.595571 -0.44395607 -7.58942015 -46.00582836 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.000092909999999 54574-82-2 1910825 144207411 A A 2-[4-(Dibutylamino)-2-hydroxybenzoyl]benzoic acid O=C(c1ccc(cc1O)N(CCCC)CCCC)c2ccccc2C(=O)O Tox21_200213 -NCGC00258101-01 196729409 tox21-ror-cho-viability-p1 set3 4 0.59640539 0.12228689 -0.7917858 0.87182205 1.33093184 -0.64654874 1.03746619 0.1289181 0.68798884 -0.55617618 1.30415225 0.59225179 0.43718391 1.48510945 2.0710929 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 331717-63-6 16211115 144207745 A A 1-Ethyl-3-methylimidazolium thiocyanate N#C[S-].C[n+]1ccn(CC)c1 Tox21_200547 -NCGC00258260-01 196729421 tox21-ror-cho-viability-p1 set3 4 0.56300797 -0.67865701 -0.15096589 0.65392588 2.22758941 0.00084762 2.00094049 -2.38382058 5.44892246 3.43875137 0.25878724 3.35150405 7.44047076 -5.13375151 0.19946087 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.00001889 0.00004225 0.00009447 591-27-5 11568 144207904 A A 3-Aminophenol Nc1cccc(O)c1 Tox21_200706 -NCGC00258271-01 196729422 tox21-ror-cho-viability-p1 set3 4 27.4171332585 -8.8461483999 1.5 -7.3461483999 4.9549173134 0.5087515927 0.1716773647 2.27718882 -2.27121046 -0.8297869 0.07454706 1.38868338 0.02404255 2.05340851 1.33654343 3.10248795 10.56719955 1.45338789 -0.00679757 2.07059969 -9.038457 -5.41799083 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.961E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.000003701 0.000008275 0.0000185 0.00004137 0.000092519999999 216299-72-8 12040508 144207915 A A 1-Methyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide C[n+]1ccn(CCC)c1.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F Tox21_200717 -NCGC00258491-01 196729829 tox21-ror-cho-viability-p1 set3 4 2.1579701846 -10.7867285639 -0.5 -11.2867285639 4.9549173134 0.7625332194 0.0211652548 -1.37512359 -2.1036954 -2.35737434 0.72624358 0.4140453 -1.02497758 -0.48431467 -0.12986413 -0.7518584 -1.47418783 -14.81270908 -15.23894047 -8.93403911 -5.03572128 -5.83922095 1.175E-9 2.628E-9 5.875E-9 1.314E-8 2.938E-8 6.569E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.00004106 0.0000918 89-69-0 6983 144208135 A Ac 2,4,5-Trichloronitrobenzene Clc1cc([N+]([O-])=O)c(Cl)cc1Cl Tox21_200937 -NCGC00257983-01 196729830 tox21-ror-cho-viability-p1 set3 4 0.85784064 0.90731433 0.08935452 2.18684181 2.90011468 -0.20777591 0.25169336 1.27002409 2.37236241 4.05961903 2.79980833 3.05140821 0.01520778 -0.30140303 -1.54595789 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.4729999999E-7 3.295E-7 7.367E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.000041179999999 0.00009209 90-80-2 7027 144207627 I F Gluconolactone O[C@H]1[C@H](O)[C@@H](O)C(=O)O[C@@H]1CO Tox21_200429 -NCGC00255665-01 196728677 tox21-ror-cho-viability-p1 set3 4 27.3060203028 19.9852553919 -4.4852553919 15.5 4.9549173134 0.5686057936 0.1203676338 -1.1291467 -4.6582848 -1.3356924 -0.54455058 -1.8791907 -4.27214201 -4.15577546 -15.82104616 -14.61593774 6.7434364 -9.78566798 -2.0583247 -3.85258544 16.41745583 12.46594185 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 75-85-4 6405 144212673 Ac 2-Methyl-2-butanol CC(C)(O)CC Tox21_302356 -NCGC00255381-01 196728663 tox21-ror-cho-viability-p1 set3 4 61.130564862 -15.23020642 6.5 -8.73020642 4.5044702849 0.3599014482 0.3106767771 -0.47845569 10.90604358 9.37839156 4.42788559 -1.32009242 8.39427509 -1.65593663 10.21137674 6.91077329 12.04500944 11.21307955 11.03174226 4.58457543 4.43974838 -6.85850535 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 147-94-4 6253 144212288 A A Cytarabine NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O Tox21_301971 -NCGC00256187-01 196728666 tox21-ror-cho-viability-p1 set3 4 0.19368974 -1.5369185 2.19015097 -1.97345385 9.81415971 0.93372711 1.951891 0.87308864 -3.15540132 -2.61816846 8.31125616 2.63264296 6.17469922 9.32673715 2.82961093 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6770-38-3 81239 144211797 A A 1,4-Bis(methoxymethyl)benzene COCc1ccc(cc1)COC Tox21_301480 -NCGC00255881-01 196728667 tox21-ror-cho-viability-p1 set3 4 0.33986431 -0.09040105 3.13029817 -1.7035639 -0.75484725 -1.05620648 2.91398933 -1.98268391 1.16545428 -3.25458092 -0.21228075 0.05020358 -0.73785798 1.35131322 -0.31835046 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26399-36-0 33500 144211883 A A Profluralin CCCN(CC1CC1)c2c(cc(cc2[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Tox21_301566 -NCGC00255879-01 196729078 tox21-ror-cho-viability-p1 set3 4 1.42437718 -0.02706518 2.58024085 13.82319324 3.2110799 9.20097952 13.68004984 7.54635805 2.30523077 6.41945548 3.76875547 4.42721389 7.01644663 0.75857647 1.28307791 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-76-5 6321405 144211962 A A Isoborneol C[C@]12CC[C@H](C[C@H]1O)C2(C)C Tox21_301645 -NCGC00257820-01 196729492 tox21-ror-cho-viability-p1 set3 4 1.3601966982 13.0839791119 -12.5839791119 0.5 4.4494702849 0.324776001 0.3433179404 -2.83645626 -1.55308552 -23.1351597 0.88004363 -17.13925426 1.66624079 -24.00902735 -21.23934408 -25.48664926 -1.0476623 0 -2.61259984 0.67845854 0.85822841 2.8202476 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 100-44-7 7503 144207464 D Benzyl chloride ClCc1ccccc1 Tox21_200266 -NCGC00090686-07 196700022 tox21-ror-cho-viability-p1 set1 4 5.4482673282 -6.7986387319 -0.5 -7.2986387319 4.9549173134 0.3979872131 0.2746546483 -2.46776016 2.5325863 4.0271409 0.48616257 -6.75292827 -3.41501541 -0.66269923 -5.07117367 3.43830713 0.28753894 2.29179433 -10.18582691 -11.49886561 -2.32558989 -5.2638391 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00254855-01 196700023 tox21-ror-cho-viability-p1 set1 4 61.130564862 -14.972570008 0.5 -14.472570008 2.09374246 0.6554674673 0.0618144483 -0.13975776 -0.83784456 1.12201964 0.7964474 -1.35724942 -0.06588683 0.09520013 4.43948462 2.76426526 -4.12048421 2.55544778 -1.33739299 -2.20376238 -3.11863359 -10.39380834 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58-89-9 727 144211270 A Lindane Cl[C@H]1[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H]1Cl Tox21_300953 -NCGC00255007-01 196700025 tox21-ror-cho-viability-p1 set1 4 1.24895673 0.59703256 1.71098755 0.24861617 -0.68074176 4.94668238 4.38352214 3.35523835 0.55215065 -0.83269603 1.39353337 0.05672157 5.85161359 0.62965992 4.52853199 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 106-36-5 7803 144211424 FNS Propyl propionate CCC(=O)OCCC Tox21_301107 -NCGC00254944-01 196700033 tox21-ror-cho-viability-p1 set1 4 0.1155546 -2.84076851 1.05084187 -1.82131424 -4.04414449 -2.5035518 -1.51456081 -3.69621569 -2.81150471 -2.15410355 -2.58373402 -2.76652674 0.07846166 -8.26546105 -8.84697119 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126833-17-8 213031 144211359 A A Fenhexamid O=C(Nc1ccc(O)c(Cl)c1Cl)C2(C)CCCCC2 Tox21_301042 -NCGC00256134-01 196700442 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -17.427586276 1 -16.427586276 4.0949729863 0.9182232824 0.0001188629 1.49174691 0.88626625 2.28092774 0.16786028 3.1976961 0.13589648 -0.93714154 0.29214671 0.38899358 2.19458884 1.01643072 0.42404312 0.33026989 -1.0970712 -12.43965523 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15901-40-3 85178 144212103 F F N,N',N''-Tricyclohexyl-1-methylsilanetriamine C[Si](NC1CCCCC1)(NC2CCCCC2)NC3CCCCC3 Tox21_301786 -NCGC00255339-01 196700450 tox21-ror-cho-viability-p1 set1 4 1.49457238 0.62371392 2.71759255 3.05697915 1.62327749 -0.95458389 1.48901941 0.29232801 2.847119 2.95635286 1.94357288 1.72335241 1.01487996 4.97711055 0.23477282 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1929-73-3 16002 144211876 A A 2,4-D-Butotyl Clc1cc(Cl)ccc1OCC(=O)OCCOCCCC Tox21_301559 -NCGC00167540-03 196698387 tox21-ror-cho-viability-p1 set1 4 0.88671106 1.30791474 3.5959354 0.85355599 1.0286286 0.01574762 -0.3859334 0.04740828 0.62863059 0.93029161 -0.00524462 3.42209853 0.71495084 0.46924996 3.51960229 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83-34-1 6736 170465747 F 3-Methylindole Cc2cnc1ccccc12 Tox21_112537_1 -NCGC00091011-05 196723728 tox21-ror-cho-viability-p1 set3 2.1 34.3762428541 111.5698228779 1.6668489311 113.236671809 1.6604358099 0.9342526693 0.0000368168 -3.83539683 -6.48840248 -0.85619236 -1.14282739 1.24799642 1.40845629 2.62431015 3.99766128 0.97101985 -0.78564618 15.50259452 28.13643158 26.77869493 57.00011586 111.67324636 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00091657-02 196697972 tox21-ror-cho-viability-p1 set1 4 68.5896218971 12.000103696 -0.000103696 12 3.2974983358 0.8262382527 0.0045413525 -0.70429422 -1.14192749 0.7157149 -2.91675308 -0.31905479 -0.97259908 0.48678691 1.42225527 0.27397277 0.36495468 0.36293259 -0.8621305 1.34164402 1.83758064 8.93561841 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00160683-03 196697981 tox21-ror-cho-viability-p1 set1 4 3.33982122 3.16543575 6.07837022 4.41324538 2.19555721 3.7651839 -0.21546041 2.6534916 -0.06760831 -0.14191754 1.72710304 3.82956312 1.46464829 7.97729151 1.98295526 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 19368-18-4 71895 170466077 A Ftaxilide O=C(Nc1c(C)cccc1C)c2ccccc2C(=O)O Tox21_111986_1 -NCGC00183868-02 196698389 tox21-ror-cho-viability-p1 set1 4 0.83796656 2.71957467 3.31636322 1.18930797 2.21619202 0.70593648 6.3345648 3.05149568 0.44786751 1.3312994 0.25648394 0.99303871 0.92130366 3.99771009 3.05936674 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 18046-21-4 28871 170466003 A Fentiazac O=C(O)Cc1sc(nc1c2ccc(Cl)cc2)c3ccccc3 Tox21_111788_1 -NCGC00182055-03 196698395 tox21-ror-cho-viability-p1 set1 -3 33.4914596268 -68.987913108 0.753933132 -68.233979976 4.9549173134 0.9722124641 3.141E-7 -3.99023272 1.61960567 -0.04431299 0.77334742 0.95677808 -3.63556766 1.04168191 1.64932862 1.65909446 2.5408381 2.60630028 0.53029859 -0.79011977 0.56646253 -59.8543684 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 198481-33-3 154256 170466793 A Bazedoxifene acetate CC(=O)O.Oc1ccc(cc1)c5c(C)c2cc(O)ccc2n5Cc3ccc(cc3)OCCN4CCCCCC4 Tox21_113013_1 -NCGC00255459-01 196700433 tox21-ror-cho-viability-p1 set1 4 -5.5219508 0.97637857 -2.0596268 0.19146523 1.57679722 -3.29697499 -4.55781743 -4.53282709 -3.50153249 -1.25526174 -0.84160344 1.86181206 -2.88880013 -2.01235892 1.64296061 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5394-36-5 82162 144212304 A A 5-Ethyl-5-methylhydantoin O=C1NC(=O)NC1(C)CC Tox21_301987 -NCGC00163735-04 196701241 tox21-ror-cho-viability-p1 set1 -1.2 11.5261845168 -40.7751668479 0.5 -40.2751668479 0.5 0.8499318274 0.0022557195 0.53336106 0.10779571 1.61747162 -0.11138535 -0.22049386 -4.61268173 -0.0732549 -15.6982202 -7.37569965 -11.47582621 -15.73632028 -11.34321932 -15.9080991 -32.61352295 -33.56263904 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00257582-01 196701634 tox21-ror-cho-viability-p1 set1 4 0.0505395996 6.994354692 -3.994354692 3 2.6384283767 0.5780673897 0.1139906764 -0.59475135 -4.61916399 -7.07862891 -4.4480337 -1.46029431 -0.10006969 4.25736654 1.95745855 5.93996257 0.29514301 1.55425267 3.67433909 -0.44206801 0.76812134 9.7837174 1.22E-9 2.7279999999E-9 6.099E-9 1.3639999999E-8 3.049E-8 6.819E-8 1.525E-7 3.409E-7 7.6239999999E-7 0.000001705 0.0000038119999999 0.000008523 0.000019059999999 0.000042619999999 0.00009529 77-99-6 6510 144207226 A A 2-Ethyl-2-(hydroxymethyl)-1,3-propanediol CCC(CO)(CO)CO Tox21_200028 -NCGC00257535-01 196700850 tox21-ror-cho-viability-p1 set1 -1.2 9.6885416101 -38.4613982436 -3.015980723 -41.4773789666 1.21 0.8755522364 0.0009387398 -0.18158488 -3.64233491 0.26736954 -2.82536103 -13.7232649 -0.01574746 0 -2.22076072 -14.55599347 0.06531961 -11.18172149 -24.59574724 -26.19390425 -35.69378976 -39.89243769 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-17-2 6872 144211618 A A Salicylanilide O=C(Nc1ccccc1)c2ccccc2O Tox21_301301 -NCGC00091830-04 196700831 tox21-ror-cho-viability-p1 set1 4 -8.28146151 -6.36891128 -7.77350316 -3.30867453 -0.07749105 -4.17511502 -1.58858113 -4.53491496 -1.57156097 -3.13397343 -5.53996596 -3.13985916 -4.42964639 -5.31079653 -21.54424867 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00256306-01 196700834 tox21-ror-cho-viability-p1 set1 4 61.130564862 12.0905068 -2.0905068 10 4.5044702849 0.4444219667 0.2309884913 0.37880215 0.05235575 -10.492089 1.30754468 -2.58802933 -4.06323679 1.63047621 -2.54602769 -2.26712024 -0.13943309 -1.34720196 -5.62854392 -1.21684087 -0.34217339 8.35306577 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84962-98-1 4385787 144212106 Fns Sodium 3-(trihydroxysilyl)propyl methylphosphonate [Na+].O[Si](O)(O)CCCOP([O-])(C)=O Tox21_301789 -NCGC00255333-01 196700852 tox21-ror-cho-viability-p1 set1 -2.1 43.2771256911 -107.4917257552 1.251305856 -106.2404198992 2.4063783767 0.9788587282 6.54E-8 1.83985688 -1.67993137 3.50836531 -0.57865596 0.01230466 -1.16511272 2.92307262 0.89308593 0.38722889 2.01794083 0.25506303 -0.92610426 0.13530653 -56.48198061 -88.97857613 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 313-06-4 9403 144212135 F A Estradiol cypionate Oc4cc5CC[C@@H]1[C@H](CC[C@]2(C)[C@H](CC[C@@H]12)OC(=O)CCC3CCCC3)c5cc4 Tox21_301818 -NCGC00255345-01 196700853 tox21-ror-cho-viability-p1 set1 4 -0.43574845 -1.67206454 1.29285952 -2.26318005 1.81524996 0.29381498 2.13908965 2.45597023 2.15497777 4.23260313 -2.27087941 0.36363094 2.27089633 3.33267349 3.34855701 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-47-6 5983 144211908 A A Physostigmine CNC(=O)Oc1cc2c(cc1)N(C)[C@H]3N(C)CC[C@@]23C Tox21_301591 -NCGC00256106-01 196701250 tox21-ror-cho-viability-p1 set1 4 -1.26139256 -1.54108124 0.8327749 -2.82986892 -2.86043854 -1.73281447 -1.19413283 5.33202185 -5.6858023 -1.96704766 -4.04956435 -4.53200452 0.01817901 -0.39312666 2.78463655 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2224-15-9 16683 144212049 F Ac Ethylene glycol diglycidyl ether C(OCCOCC1CO1)C2CO2 Tox21_301732 -NCGC00255226-01 196701256 tox21-ror-cho-viability-p1 set1 -2.2 30.6378586933 -30.945601964 -1.5 -32.445601964 1.34431 0.8820825746 0.0007264005 0.77309326 -4.44052903 0.79328048 -3.97635011 0.81776959 0.25221026 1.83778334 -3.20262909 -6.16372298 1.04200489 -6.35841231 -6.1222864 -12.28076494 -15.5493341 -30.37133497 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25311-71-1 32872 144212536 A A Isofenphos S=P(Oc1ccccc1C(=O)OC(C)C)(NC(C)C)OCC Tox21_302219 -NCGC00256141-01 196701260 tox21-ror-cho-viability-p1 set1 4 -0.18204535 0.94636928 1.13193181 2.25786845 0.48125465 2.18192327 1.99594182 2.63909669 1.83960005 2.07954012 -9.83571026 0.90410598 2.21720813 0.37509181 2.66369997 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7360-53-4 16700308 144212563 Ac Aluminum triformate O=CO[Al](OC=O)OC=O Tox21_302246 -NCGC00255209-01 196701269 tox21-ror-cho-viability-p1 set1 -2.1 66.4304328739 -115.557739064 -5.768145682 -121.325884746 1.826479391 0.9697489705 5.087E-7 -3.94815979 0.76790777 -0.7419281 -5.76050577 -0.63104375 -10.8904021 -7.4349269 -0.30236139 -7.64937056 -10.83599234 -11.3407097 -13.12460344 -15.78233069 -49.10597772 -91.91354905 1.392E-9 3.113E-9 6.96E-9 1.556E-8 3.4799999999E-8 7.7819999999E-8 1.7399999999E-7 3.891E-7 8.6999999999E-7 0.000001945 0.00000435 0.000009727 0.00002175 0.000048639999999 0.00010879999999 8001-54-5 8753 144212382 C C Benzalkonium chloride [Cl-].C[N+](C)(Cc1ccccc1)CCCCCCCCCCCC Tox21_302065 -NCGC00256708-01 196707723 tox21-ror-cho-viability-p1 set1 4 167.8549200048 -30.871415004 -9.00897826 -39.880393264 0.3 0.4046933847 0.2674971597 -6.53540409 -8.56482852 -14.51800394 -13.69794301 -5.42414855 -6.25016343 -12.7885234 -13.84814271 -20.00657492 -16.53235713 -17.7701132 -12.96231547 -12.16872609 -13.18191003 -29.90032772 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 8028-48-6 144212914 M M Orange terpenes Tox21_302597 -NCGC00260127-01 196711446 tox21-ror-cho-viability-p1 set2 4 77.0370913869 -17.55211108 4.5 -13.05211108 4.9549173134 0.5928866115 0.1026175769 -0.39358785 2.1291129 1.79069479 3.96716345 1.27696727 4.92023442 6.54308473 9.2774387 5.66773361 6.95689242 2.53119968 3.59333426 4.9824604 9.72962689 -10.0434259 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.953E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.000001651 0.0000036909999999 0.000008253 0.000018449999999 0.000041259999999 0.00009227 40372-72-3 162012 144209776 F Fns 4,4,15,15-Tetraethoxy-3,16-dioxa-8,9,10,11-tetrathia-4,15-disilaoctadecane CCO[Si](OCC)(OCC)CCCSSSSCCC[Si](OCC)(OCC)OCC Tox21_202578 -NCGC00091532-04 196711447 tox21-ror-cho-viability-p1 set2 4 2.77831117 1.29618517 2.14910953 3.31179493 1.59776215 2.35698906 6.45593828 1.63027069 1.74070088 2.5339197 -0.58688794 1.3713027 -0.7376838 0.09699225 8.92631511 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00257444-01 196708136 tox21-ror-cho-viability-p1 set1 4 68.5896218971 9.5850190479 -1.0850190479 8.5 4.5044702849 0.3385331585 0.3336909343 -5.90418254 0.64989346 1.48709724 1.01103642 -5.83175915 0.5566946 0.93222934 1.53997451 -5.2966914 -4.99305069 -0.31784101 0.1022066 -0.46181268 -0.28033051 6.42021108 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 108-22-5 7916 144213667 Fns Isopropenyl acetate C=C(C)OC(C)=O Tox21_303350 -NCGC00257319-01 196707737 tox21-ror-cho-viability-p1 set1 4 0.0014090018 -11.6858128639 -1.130909112 -12.8167219759 1.5385888099 0.4211570553 0.2552890439 -5.94242426 -10.48299782 -10.52488855 -12.90976078 -11.85409023 -16.30857363 -10.20480878 -10.97059897 -13.01641746 -16.51393498 -12.97776979 -9.33627295 -15.82835192 -10.99821318 -15.38583587 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.0000189 0.00004225 0.00009448 526-75-0 10687 144213821 A A 2,3-Dimethylphenol Cc1cccc(O)c1C Tox21_303513 -NCGC00256373-01 196708134 tox21-ror-cho-viability-p1 set1 4 -8.12029636 -4.47788727 0.24983107 -11.39958976 -4.26255097 -19.41582148 -4.77571034 -4.45916752 -12.92000815 -15.66966671 -8.6609013 -10.02382798 -4.15593446 -9.89389748 -10.37794001 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-57-7 6849 144213076 A A 1-Nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 Tox21_302759 -NCGC00257199-01 196708140 tox21-ror-cho-viability-p1 set1 4 1.27639412 0.01387197 -0.77578592 0.03799345 0.9120257 5.57818935 -0.37581989 0.16855256 2.7901548 -0.2948068 -0.10326664 2.19138499 3.42180319 5.92683238 4.68986668 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4792-15-8 62551 144213444 A A Pentaethylene glycol OCCOCCOCCOCCOCCO Tox21_303127 -NCGC00256580-01 196708146 tox21-ror-cho-viability-p1 set1 -1.2 1.9331181962 -48.8995350756 0.7955025669 -48.1040325087 1.4163171 0.9875066704 3.1E-9 0.923695 1.21914284 0.30826731 0.54805148 -0.83798864 1.48568497 -0.39543425 -5.32987539 -5.12020213 -23.91603574 -36.28853412 -37.63180578 -48.0445994 -45.83360163 -50.55928936 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 70-30-4 3598 144213058 A A Hexachlorophene Clc2c(Cc1c(O)c(Cl)cc(Cl)c1Cl)c(O)c(Cl)cc2Cl Tox21_302741 -NCGC00256837-01 196708147 tox21-ror-cho-viability-p1 set1 -2.2 43.2771256911 -51.9570589362 2.1551622614 -49.8018966748 2.3331733767 0.9542112136 0.0000051895 -0.41140854 2.13744469 5.38016638 -1.17243519 4.48279613 1.17757874 5.00933343 1.47286491 -1.18013634 5.24486862 -1.76698282 0.01658862 0.40418985 -24.92659411 -41.51658839 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 16491-24-0 86015 144212875 F F 2,4-Hexadienyl isobutyrate O=C(OCC=CC=CC)C(C)C Tox21_302558 -NCGC00257139-01 196708156 tox21-ror-cho-viability-p1 set1 4 34.3762428541 11.9818124681 0.0181875319 12 1.98874246 0.8290272544 0.0041505665 0.09993455 1.71629471 2.01436839 1.8334013 0.14277815 0.01119962 -1.06077579 -1.65151039 0.25557492 0 -0.08645191 -1.62644118 4.89153562 5.35797033 11.38353947 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3252-43-5 18617 144213358 F Fns Dibromoacetonitrile BrC(Br)C#N Tox21_303041 -NCGC00260670-01 196708561 tox21-ror-cho-viability-p1 set2 4 68.3804186691 -14.620219184 1.5 -13.120219184 4.9549173134 0.8783920853 0.0008674416 3.04677667 0.71469507 0.73230468 1.06588614 0.12627613 2.02286463 1.69732194 1.45105776 1.03029943 -1.34367832 0.63198043 1.89474674 2.12346003 1.77390987 -10.51684932 1.177E-9 2.6319999999E-9 5.886E-9 1.316E-8 2.943E-8 6.5809999999E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.000003679 0.000008226 0.00001839 0.00004113 0.000091969999999 2078-54-8 4943 144208569 Z Z Propofol CC(C)c1cccc(C(C)C)c1O Tox21_201371 -NCGC00259180-01 196708564 tox21-ror-cho-viability-p1 set2 4 -0.13347866 1.1394945 0.47211106 -0.8303395 -0.03414843 0.17234651 -0.73033509 0.39917646 -1.60008772 -0.36140827 0.29824198 1.27041704 -1.2075722 6.43819556 0.61451487 1.197E-9 2.676E-9 5.9839999999E-9 1.338E-8 2.992E-8 6.69E-8 1.496E-7 3.345E-7 7.48E-7 0.000001673 0.00000374 0.000008363 0.000018699999999 0.000041819999999 0.0000935 60168-88-9 43226 144208829 A A Fenarimol OC(c1ccccc1Cl)(c2cncnc2)c3ccc(Cl)cc3 Tox21_201631 -NCGC00258668-01 196730328 tox21-ror-cho-viability-p1 set3 -1.2 24.4850856083 -30.8000376879 0.5 -30.3000376879 3.2974983358 0.9872549742 3.5E-9 -0.99301151 0.71468205 1.01590156 0.63342864 0.02966465 0.98823051 -0.53924822 3.27389859 1.06646497 0.57255597 0.93141636 -0.53668306 -9.48745196 -23.94640644 -31.08336474 1.1859999999E-9 2.6519999999E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001853 0.000041439999999 0.000092669999999 458-37-7 969516 144208314 A A Curcumin Oc1ccc(cc1OC)/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2 Tox21_201116 -NCGC00091253-05 196730337 tox21-ror-cho-viability-p1 set3 4 0.50810129 2.45115348 2.05975644 1.91688901 -0.84754511 -1.42286515 1.49888457 2.37398134 2.15267074 0.07429281 1.60881924 1.68641815 -0.1357406 -2.83472719 -1.1661363 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00258218-01 196730342 tox21-ror-cho-viability-p1 set3 4 0.37750058 -4.09156939 -0.40103443 0.27264974 1.31879254 -3.15846191 0.88039574 -6.24457614 -2.3614518 -15.83029413 0 0 -10.88113044 -5.62334089 -0.47116438 1.167E-9 2.61E-9 5.836E-9 1.305E-8 2.918E-8 6.525E-8 1.459E-7 3.2629999999E-7 7.295E-7 0.000001631 0.000003648 0.000008157 0.000018239999999 0.00004078 0.00009119 2495-25-2 17234 144207862 D Tridecyl methacrylate C=C(C)C(=O)OCCCCCCCCCCCCC Tox21_200664 -NCGC00254430-01 196700048 tox21-ror-cho-viability-p1 set1 4 -2.4431836 0.47390741 0.5619136 2.00572897 0.44977554 0.09959673 0.2958162 0 -3.38322123 -1.84325795 -2.74858687 0.88979012 5.97067717 0.37949519 0.66206456 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 108-67-8 7947 144210659 FNS 1,3,5-Trimethylbenzene Cc1cc(C)cc(C)c1 Tox21_300341 -NCGC00163927-04 196700072 tox21-ror-cho-viability-p1 set1 4 1.66412422 -6.47249674 0.23081744 2.71836033 -0.35009519 1.0475459 -0.05870425 1.56007984 0.59074618 1.44413421 2.32626399 -0.72023288 0.82219705 0.94227484 1.3822765 1.203E-9 2.6889999999E-9 6.014E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003759 0.000008404 0.000018789999999 0.00004202 0.000093959999999 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00254681-01 196699653 tox21-ror-cho-viability-p1 set1 4 61.130564862 -14.307594764 2.5 -11.807594764 3.2974983358 0.6000185882 0.0979340895 -0.17922084 6.19495866 4.27853033 1.14826922 1.10333826 1.98891929 0.76822815 -0.16288268 1.22842483 5.88365106 6.29658091 1.76680948 -1.53724825 -0.09865143 -9.00632897 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22781-23-3 2314 144211094 A Ac Bendiocarb CNC(=O)Oc1cccc2OC(C)(C)Oc12 Tox21_300777 -NCGC00254824-01 196700067 tox21-ror-cho-viability-p1 set1 4 76.9588215421 14.0899733079 -2.0899733079 12 4.9549173134 0.708785731 0.0349692876 0.06263916 -5.90831109 -0.79295241 -4.07274347 -4.03384834 -4.45214023 -1.08333405 -1.57291287 -1.38461445 -2.49429838 -1.36356848 -0.88778514 0.18266077 -2.05795787 8.56224591 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-11-1 66858 144211238 A A 3-((Ethylphenylamino)methyl)benzenesulfonic acid OS(=O)(=O)c2cc(CN(CC)c1ccccc1)ccc2 Tox21_300921 -NCGC00090721-03 196700465 tox21-ror-cho-viability-p1 set1 4 0.72216977 1.61529633 -0.2365598 0.98798902 0.07871619 -8.83145603 1.87642663 -1.15274344 -0.65385537 -1.04035115 -1.05050545 -0.55805357 -0.65111092 4.95560994 2.56434235 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00255891-01 196700886 tox21-ror-cho-viability-p1 set1 -1.1 0.3437624285 -92.5550888289 3.1485058539 -89.406582975 1.826479391 0.9951234065 0.000110304 0.87949721 2.5981934 0.5190366 6.53286021 2.85005337 -4.41865825 -7.23678526 -43.65776608 -79.29676369 -41.3030112 -91.44822313 -88.76480732 -89.43250577 -91.98208125 -84.75984082 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 637-03-6 4778 144211636 A Ac Phenylarsine oxide O=[As]c1ccccc1 Tox21_301319 -NCGC00255770-01 196700887 tox21-ror-cho-viability-p1 set1 -1.1 15.3553036427 -83.9756838777 -3.114678633 -87.0903625107 1.9673362061 0.9752495223 1.619E-7 -1.36875602 -2.67309146 1.26339207 -10.93987814 -3.00909746 -5.66100991 -5.59091515 -2.28651708 -0.92015312 -5.51986054 -5.31687788 -16.32492804 -56.27871357 -84.88339426 -76.86385207 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13676-54-5 83648 144212381 A A Bismaleimide O=C1C=CC(=O)N1c2ccc(cc2)Cc3ccc(cc3)N4C(=O)C=CC4=O Tox21_302064 -NCGC00255868-01 196700892 tox21-ror-cho-viability-p1 set1 4 -0.28890684 2.53648589 -1.7984667 -0.02540805 -1.55623173 1.65401974 2.78280178 4.00118194 -0.44691727 4.39026205 3.57953366 -1.35975692 -1.96941851 -1.38627644 3.0006668 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 926-39-6 70223 144212362 A 2-Aminoethyl hydrogen sulfate O=S(=O)(O)OCCN Tox21_302045 -NCGC00255799-01 196700900 tox21-ror-cho-viability-p1 set1 -1.1 13.6854287769 -84.2940779138 -3.693281409 -87.9873593228 1.6266150999 0.9627243822 0.0000016508 -1.76163498 -1.55931543 -3.87991075 -2.15962169 0.8817843 -6.68356389 -9.39687893 -4.30324909 -9.92358814 -6.28428452 -8.5484082 -21.62714705 -65.98558461 -81.05102979 -73.62827254 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 493-52-7 10303 144211653 A A Methyl red CN(C)c2ccc(/N=N/c1ccccc1C(=O)O)cc2 Tox21_301336 -NCGC00090952-07 196700901 tox21-ror-cho-viability-p1 set1 4 5.03252641 -0.39846929 1.47245904 5.45450277 3.86698275 3.39880297 2.44329601 0.92441655 2.03711398 5.06398899 5.91538866 0.65594662 2.03591668 6.77845673 -0.98480651 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00256267-01 196701310 tox21-ror-cho-viability-p1 set1 4 1.77635636 -0.63707755 0.92546716 -0.31334641 -0.2212462 -0.3861601 -0.8051429 0.48240006 1.67231919 1.16656501 1.51659058 0.76302132 1.2527259 4.55905933 0.9453899 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2050-43-3 16303 144211963 A A N-(2,4-Dimethylphenyl)acetamide O=C(C)Nc1ccc(C)cc1C Tox21_301646 -NCGC00255312-01 196701319 tox21-ror-cho-viability-p1 set1 4 -0.52560915 0.16292029 1.12525828 5.03865679 6.483567 3.03513511 1.03850363 4.20489413 2.16921537 8.00655929 3.02720803 -0.57980558 -1.13739517 10.12104805 0.53934119 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 62-74-8 16212360 144211737 A A Sodium fluoroacetate [Na+].[O-]C(=O)CF Tox21_301420 -NCGC00258036-01 196701717 tox21-ror-cho-viability-p1 set1 -3 68.5198756601 -83.2464212148 1.379142538 -81.8672786768 4.9549173134 0.9702500959 4.629E-7 0.48793017 2.66907819 -6.5213585 -0.56912899 -0.31272841 0.931167 2.73621833 0.16498737 4.25041694 0.13462847 -0.17131281 2.50432448 2.33973459 1.46990085 -66.95815768 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 3542-36-7 77080 144207680 A Dichloro(dioctyl)stannane Cl[Sn](Cl)(CCCCCCCC)CCCCCCCC Tox21_200482 -NCGC00258159-01 196702504 tox21-ror-cho-viability-p1 set1 4 4.00598786 2.57544436 1.05499176 1.63405855 -0.81363066 0.35206736 4.97858376 3.08639136 -0.73460066 0.82097484 2.97542479 1.66647352 -2.66283665 4.42722225 3.15411488 1.193E-9 2.667E-9 5.964E-9 1.3339999999E-8 2.982E-8 6.668E-8 1.491E-7 3.3339999999E-7 7.455E-7 0.0000016669999999 0.000003728 0.000008335 0.00001864 0.00004168 0.00009319 65039-10-3 11321106 144207803 A A 1-Allyl-3-methylimidazolium chloride [Cl-].C[n+]1ccn(CC=C)c1 Tox21_200605 -NCGC00257935-01 196702096 tox21-ror-cho-viability-p1 set1 4 0.0191740181 -7.9284127999 -6.82840046 -14.7568132599 4.9549173134 0.5142860146 0.1664599598 -6.18708402 -5.27366705 -10.91336434 -5.64048555 -17.70239231 -9.22374398 -18.36969744 -10.35669742 -14.2697512 -13.9547894 -20.21401105 -17.23708337 -13.64734635 -10.87659364 -15.64504051 1.172E-9 2.621E-9 5.862E-9 1.311E-8 2.931E-8 6.554E-8 1.465E-7 3.277E-7 7.327E-7 0.0000016379999999 0.000003664 0.000008192 0.00001832 0.00004096 0.00009159 95-82-9 7262 144207579 A A 2,5-Dichloroaniline Clc1ccc(Cl)c(N)c1 Tox21_200381 -NCGC00258495-01 196702101 tox21-ror-cho-viability-p1 set1 4 0.7711537448 -18.3404064519 -4.065266804 -22.4056732559 0.3 0.4712056609 0.2217947857 -10.36696813 -7.07759642 -1.72105567 -6.46529436 -13.1178431 -4.7806806 -16.2514642 -14.53578192 -5.47512717 -19.13788449 -16.69084159 -12.77012688 -19.92139438 -17.0353846 -11.19814851 1.182E-9 2.6419999999E-9 5.909E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.386E-7 0.0000016519999999 0.000003693 0.000008258 0.00001846 0.00004129 0.000092319999999 71888-89-6 591200 144208139 A Ac 1,2-Benzenedicarboxylic acid, di-C6-8-branched alkyl esters, C7-rich CC(C)CCCCOC(=O)c1ccccc1C(=O)OCCCCC(C)C Tox21_200941 -NCGC00258587-01 196702496 tox21-ror-cho-viability-p1 set1 4 73.0624333284 17.40708594 -2.40708594 15 4.9549173134 0.5906859531 0.104287941 1.0141797 -2.97396594 -4.2541898 0.88698965 -2.78640048 -3.42046641 -0.24453482 -0.78360959 -0.27832011 -6.18132583 -1.57410424 2.06345097 -6.40627667 -7.00590495 11.87743841 1.1299999999E-9 2.528E-9 5.652E-9 1.264E-8 2.826E-8 6.319E-8 1.413E-7 3.1599999999E-7 7.065E-7 0.00000158 0.000003533 0.000007899 0.00001766 0.00003949 0.00008831 541-41-3 10928 144208232 FNS Ethyl chloroformate ClC(=O)OCC Tox21_201034 -NCGC00258129-01 196702507 tox21-ror-cho-viability-p1 set1 4 -0.1719335 1.55006526 0.43783789 -1.15215419 6.35809287 3.30158892 4.74269601 -2.67978434 3.08985271 2.98812351 0.09924536 0.03833781 -0.1859456 4.66002117 0.26857271 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 344774-05-6 16218739 144207773 B B Triisobutylmethylphosphonium tosylate Cc1ccc(cc1)S(=O)([O-])=O.CC(C)C[P+](C)(CC(C)C)CC(C)C Tox21_200575 -NCGC00258382-01 196702508 tox21-ror-cho-viability-p1 set1 4 5.01493294 -1.7748264 1.00477532 5.21830074 2.89146508 4.13264994 4.35163067 4.47826086 7.22185541 -2.84426536 3.32353221 1.99092407 2.5284473 0.05578979 3.36069568 1.202E-9 2.687E-9 6.0089999999E-9 1.344E-8 3.0039999999E-8 6.718E-8 1.5019999999E-7 3.359E-7 7.511E-7 0.0000016799999999 0.0000037559999999 0.000008398 0.00001878 0.00004199 0.00009389 1338-24-5 20849290 144208026 FNS Naphthenic acids OC(=O)CCC1CCC(C1)CC Tox21_200828 -NCGC00164077-02 196702510 tox21-ror-cho-viability-p1 set1 4 5.91877014 -0.24195124 1.07484663 3.09150911 -4.33888692 -0.58211892 1.20337891 3.03369229 5.2652616 1.52227278 0.93839566 1.06585701 5.19269502 0.01687015 2.25569278 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00357114-01 196702909 tox21-ror-cho-viability-p1 set1 4 68.5896218971 10.9663588319 -0.4663588319 10.5 4.0949729863 0.3995523518 0.2746206726 1.05718715 0.44760551 -0.31521715 0.28777866 -5.37670046 1.08391134 0.45288516 -0.65478727 1.05991063 -7.88863236 1.26653683 -0.97746686 3.35794217 0.69480542 8.14103381 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-43-6 7502 251919838 A 4-Vinylpyridine C=Cc1ccncc1 Tox21_303844 -NCGC00260539-01 196702924 tox21-ror-cho-viability-p1 set1 4 -5.97415668 5.10208812 0.690787 -0.14876791 -6.3062232 1.04309094 3.03251208 2.73312126 0.93562187 -5.63876098 2.48257263 -0.95085893 6.62808786 -0.52211453 7.05883697 6.052E-11 1.353E-10 3.0259999999E-10 6.7659999999E-10 1.513E-9 3.383E-9 7.5649999999E-9 1.692E-8 3.782E-8 8.458E-8 1.891E-7 4.2289999999E-7 9.456E-7 0.0000021139999999 0.0000047279999999 112-69-6 16221 144210192 F Fns Dimethylcetylamine CN(C)CCCCCCCCCCCCCCCC Tox21_202994 -NCGC00254937-01 196698779 tox21-ror-cho-viability-p1 set1 4 3.49852659 1.82151659 4.33230605 2.88120699 -0.68329331 2.48672591 2.72784764 3.07765056 3.3493661 3.52061373 1.13295361 1.62328971 -0.04493763 0.8128312 -0.34542787 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1112-39-6 66187 144211352 FC Dimethoxydimethylsilane C[Si](C)(OC)OC Tox21_301035 -NCGC00015877-11 196698368 tox21-ror-cho-viability-p1 set1 4 2.73334101 1.82098692 -0.90920454 1.8429942 -0.78868992 -2.64781936 1.12062177 3.56941331 1.73501348 0.63786193 1.79908249 1.83263312 1.95747038 2.33607695 1.26132525 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87051-43-2 5074 170466554 A Ritanserin Fc1ccc(cc1)/C(c2ccc(F)cc2)=C3/CCN(CC3)CCC4=C(C)N=C5SC=CN5C4=O Tox21_110251_1 -NCGC00016547-08 196698381 tox21-ror-cho-viability-p1 set1 4 0.0237101377 3.9038509959 -3.4038509959 0.5 4.9549173134 0.4467859598 0.2311375497 -2.97452788 -4.27036099 -1.12810351 -2.71752818 -6.16987583 0.97305016 0.21115648 -0.16205836 -1.50820212 4.45213786 -0.95300824 0.86799428 0.82923789 -3.11559477 3.59023338 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 882-09-7 2797 170466427 Ac Clofibric acid Clc1ccc(OC(C)(C)C(=O)O)cc1 Tox21_110486_1 -NCGC00254832-01 196698774 tox21-ror-cho-viability-p1 set1 -2.4 54.4272718766 -29.8131879919 -0.5 -30.3131879919 3.9294729863 0.9701023288 4.794E-7 0.01141506 1.16865677 -2.92043598 0.33085023 0.18797803 -1.09831162 0.39799433 -1.39759731 1.56137358 -1.17374209 0.06684338 -2.18101777 0.06709868 -7.56406611 -26.92765666 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 33089-61-1 36324 144211247 A C Amitraz Cc2ccc(/N=C/N(C)/C=N/c1ccc(C)cc1C)c(C)c2 Tox21_300930 -NCGC00255352-01 196710630 tox21-ror-cho-viability-p1 set2 4 48.5577336745 -18.785256508 -0.5 -19.285256508 2.3331733767 0.9339354698 0.0000384655 1.15482916 -2.47225277 -0.58482858 2.01145027 -0.05585148 -0.98812458 -0.88578021 -0.00850425 -2.33466579 0.19691044 0.34405474 -1.3488808 -1.92873673 -8.1638383 -16.07104709 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-18-8 7180 144212647 A A Benzylparaben Oc1ccc(cc1)C(=O)OCc2ccccc2 Tox21_302330 -NCGC00255666-01 196710215 tox21-ror-cho-viability-p1 set2 4 0.87632908 2.72401045 5.83797456 3.38968373 6.18391593 4.87012997 -0.30124299 4.74324254 -0.31261118 3.72716258 0.4031711 0.51040742 0.91326411 3.34620734 9.07462153 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6359-98-4 22842 144212581 Ac C.I. Acid Yellow 17, disodium salt [Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)/N=N/C2C(=O)N(N=C2C)c3cc(Cl)c(cc3Cl)S([O-])(=O)=O Tox21_302264 -NCGC00255226-01 196710222 tox21-ror-cho-viability-p1 set2 4 5.4482673282 -8.233930944 1 -7.233930944 4.9549173134 0.6732591338 0.0621329906 -1.73616076 2.53467146 2.43033993 -0.38215217 -0.37174693 -0.46867323 1.75997033 1.52569698 1.17283684 -0.02973217 1.62255327 -8.82668709 -1.9580967 -10.61160912 -1.40697587 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25311-71-1 32872 144212536 A A Isofenphos S=P(Oc1ccccc1C(=O)OC(C)C)(NC(C)C)OCC Tox21_302219 -NCGC00255979-01 196710236 tox21-ror-cho-viability-p1 set2 4 3.21439209 -0.80375845 0.16472226 -0.06578496 -0.1936402 -0.81975673 0.18292125 -1.15434556 -0.07861598 0.66192398 0.20833543 0.12681738 0.19295663 2.80071614 5.13810103 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6706-59-8 82170 144212071 F A L-Glucitol O[C@@H]([C@@H](O)CO)[C@@H](O)[C@H](O)CO Tox21_301754 -NCGC00255874-01 196710655 tox21-ror-cho-viability-p1 set2 4 2.51687869 0.55515039 3.77117511 1.44965936 1.69203252 1.68469328 1.62945503 0.53454478 0.671451 0.11909628 -0.39771573 1.20163319 0.71109607 1.32060932 3.00903258 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.00001889 0.00004225 0.00009447 877-24-7 23676735 144211668 A A Monopotassium phthalate [K+].OC(=O)c1ccccc1C([O-])=O Tox21_301351 -NCGC00255248-01 196711050 tox21-ror-cho-viability-p1 set2 4 0.0015355304 11.269830844 -10.269830844 1 4.9549173134 0.6867541496 0.0453588499 -8.55819237 2.72760203 1.27187952 0.0709893 3.57150267 2.90359974 2.52257355 -1.43183361 0.91796234 0.52928727 1.37415233 -1.14800336 2.57236949 -0.64554893 -0.45876206 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66346-01-8 94617 144212305 A Ac 1-(4-Chlorophenyl)-4,4-dimethyl-pentan-3-one Clc1ccc(CCC(=O)C(C)(C)C)cc1 Tox21_301988 -NCGC00259920-01 196709000 tox21-ror-cho-viability-p1 set2 4 2.21021749 -4.88464805 2.39116962 4.80586258 1.83994752 1.34066957 0.28477237 -0.29608524 1.65088493 1.02828565 3.00114148 2.50516354 0.8262201 0.46960644 0.69587585 1.188E-9 2.656E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.641E-8 1.4849999999E-7 3.321E-7 7.425E-7 0.0000016599999999 0.000003712 0.0000083009999999 0.00001856 0.000041509999999 0.00009281 88-74-4 6946 144209569 A A 2-Nitroaniline O=[N+]([O-])c1ccccc1N Tox21_202371 -NCGC00256801-01 196708174 tox21-ror-cho-viability-p1 set1 4 -0.37593941 5.15494247 5.31622585 6.1294857 4.33805923 -1.27954402 0.27174266 -0.15414341 1.40902682 5.2764512 2.97620146 -0.24658071 -0.51146884 3.09449185 5.88074293 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-72-5 31226 144212904 A A 3-Phenylpropyl acetate CC(=O)OCCCc1ccccc1 Tox21_302587 -NCGC00259535-01 196708579 tox21-ror-cho-viability-p1 set2 4 0.55358376 2.35545528 -0.52689402 4.19714725 0.00743199 0.25551846 1.7753615 -0.72670204 0.84623539 -0.39517932 0.36827183 -0.086728 -1.25675113 1.26451896 2.05512838 1.1679999999E-9 2.612E-9 5.8419999999E-9 1.3059999999E-8 2.9209999999E-8 6.531E-8 1.4599999999E-7 3.2659999999E-7 7.3019999999E-7 0.0000016329999999 0.0000036509999999 0.000008164 0.00001826 0.00004082 0.00009128 1912-24-9 2256 144209184 B B Atrazine Clc1nc(NCC)nc(NC(C)C)n1 Tox21_201986 -NCGC00258996-01 196708591 tox21-ror-cho-viability-p1 set2 4 -1.07626502 0.20429408 -2.17659918 -1.46999069 2.29585247 2.25743682 3.27384825 1.14455901 4.42541269 0.35550329 3.66610192 3.33649141 3.79331502 4.19954577 0.49649147 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 0.000091709999999 98-56-6 7394 144208643 AC Fns 1-Chloro-4-(trifluoromethyl)benzene FC(F)(F)c1ccc(Cl)cc1 Tox21_201445 -NCGC00091088-05 196709003 tox21-ror-cho-viability-p1 set2 4 0.09140824 0.92709702 -0.06044669 1.41099763 -1.90753102 8.2798791 1.0429435 -0.10962189 -0.30660005 -0.43821106 -1.61881896 1.49183904 -1.81732992 2.13300807 -2.06702101 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00258968-01 196709008 tox21-ror-cho-viability-p1 set2 4 49.051958674 -8.7678366839 -0.5 -9.2678366839 2.3331733767 0.5887318471 0.1080702984 -0.52258598 -1.86215208 -2.60323912 -2.45386185 -0.73926052 -0.50692275 0.57817036 -1.22997241 -0.52315436 4.47575518 -0.44672729 -0.40415381 -0.35877043 -4.5621972 -7.30653057 1.19E-9 2.6619999999E-9 5.9519999999E-9 1.331E-8 2.976E-8 6.654E-8 1.4879999999E-7 3.3269999999E-7 7.44E-7 0.0000016639999999 0.00000372 0.0000083179999999 0.0000186 0.00004159 0.000093 598-72-1 11729 144208615 A B 2-Bromopropionic acid BrC(C)C(=O)O Tox21_201417 -NCGC00258788-01 196709014 tox21-ror-cho-viability-p1 set2 -2.2 27.167235033 -66.4408040773 -0.654945703 -67.0957497803 1.2221 0.9688700263 5.987E-7 -0.22694777 -3.15976769 0.11676826 0.891857 -0.79981059 2.69353617 -7.34436484 -0.42752538 0.64359982 -0.89415237 -10.30448849 -14.67380576 -23.82164619 -37.7799923 -58.85592086 1.175E-9 2.626E-9 5.873E-9 1.3129999999E-8 2.936E-8 6.566E-8 1.468E-7 3.2829999999E-7 7.341E-7 0.000001641 0.0000036699999999 0.000008207 0.00001835 0.00004104 0.00009176 533-74-4 10788 144208434 A A Dazomet S=C1SCN(C)CN1C Tox21_201236 -NCGC00357028-01 196724527 tox21-ror-cho-viability-p1 set3 4 -5.35164307 -0.66676562 3.01799328 -2.92569859 -1.19663111 0.4209039 3.59697341 0.74793207 2.60689332 5.52278082 3.9113732 -7.31708351 -1.26361276 -1.86824813 1.54942663 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 827-94-1 13231 251919954 Ac 2,6-Dibromo-4-nitroaniline Brc1cc(cc(Br)c1N)[N+]([O-])=O Tox21_303713 -NCGC00260231-01 196724534 tox21-ror-cho-viability-p1 set3 4 -2.77041516 -1.74238818 -0.30551495 0.61724975 0.55369701 2.12142211 0.10126333 4.80459578 -6.57006612 -3.9153299 -0.19044944 -2.06342246 -4.98655031 0.67749445 4.52060257 1.194E-9 2.6689999999E-9 5.969E-9 1.335E-8 2.985E-8 6.6739999999E-8 1.4919999999E-7 3.337E-7 7.4609999999E-7 0.000001668 0.0000037309999999 0.000008342 0.00001865 0.00004171 0.000093269999999 65350-59-6 13487610 144209881 FNS 1-Butyl-4-methylpyridinium bromide [Br-].Cc1cc[n+](CCCC)cc1 Tox21_202683 -NCGC00257443-01 196719240 tox21-ror-cho-viability-p1 set2 -2.4 61.130564862 -37.550006368 1.5 -36.050006368 3.5722481694 0.898150099 0.0003538499 -1.09957328 -0.58007486 1.77718376 -0.74573849 0.17052018 2.36458274 1.18667108 7.36167973 -0.74274529 0.64042253 2.45419226 6.85863188 -2.434256 -5.45185865 -29.20833864 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-45-6 7811 144213919 F A 4-Thiocresol Cc1ccc(S)cc1 Tox21_303614 -NCGC00090789-02 196719239 tox21-ror-cho-viability-p1 set2 4 0.36312254 0.11548557 0.59020451 -0.10687739 -0.38985951 5.18312216 0.19499875 2.34143847 -0.31848038 3.40498003 5.35105886 0.11142106 3.50755017 1.41443267 1.96870866 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00256963-01 196719241 tox21-ror-cho-viability-p1 set2 4 6.8589621897 6.1491632639 -5.6491632639 0.5 1.6266150999 0.3837697864 0.2891393999 -5.85496491 -3.45463006 -0.02389919 -7.72318384 -12.62430272 -6.2852135 -9.38516514 -0.04985437 -6.21581023 -5.66659923 -4.37469524 -1.51719455 -0.89749022 1.12153829 -0.10661748 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 586-62-9 11463 144213585 F F Terpinolene C/C(C)=C1\CC=C(C)CC1 Tox21_303268 -NCGC00256699-01 196719248 tox21-ror-cho-viability-p1 set2 4 17.2289340586 -6.445216808 -1 -7.445216808 3.5117481694 0.4998978818 0.1805393666 0.05854549 -0.85306973 0.65987401 -1.85010172 -1.76889385 -7.17524298 -4.14403776 2.91612773 -0.80920526 1.57532954 1.44887025 -0.60330348 -4.99755874 -7.45434734 -7.35147728 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60125-24-8 641298 144213940 A A trans-2-Methoxycinnamaldehyde COc1ccccc1/C=C/C=O Tox21_303635 -NCGC00256635-01 196719262 tox21-ror-cho-viability-p1 set2 4 -4.01369 -2.7154707 -0.51567098 -2.36394899 -7.69786905 0.75545832 -2.16291266 -4.73402994 -5.44817486 -1.66080775 1.12959662 -1.7067406 -3.23880269 1.09672011 -1.22196092 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25152-85-6 5367706 144212980 A F (3Z)-Hex-3-en-1-yl benzoate O=C(OCC/C=C\CC)c1ccccc1 Tox21_302663 -NCGC00254021-01 196719657 tox21-ror-cho-viability-p1 set3 4 -2.80955479 -7.73915133 -3.96429991 -0.4103656 -8.06653499 -4.97769219 -3.12289965 -2.12385946 -3.93515557 -4.33310117 0.10682236 -0.32648729 -1.33143226 -0.28986262 -8.40753964 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-50-7 1732 144210374 A A 4-Chloro-3-methylphenol Oc1ccc(Cl)c(C)c1 Tox21_300054 -NCGC00255000-01 196719667 tox21-ror-cho-viability-p1 set3 4 -3.59306263 7.8548201 -3.26202961 -5.85692092 11.96919226 -2.57909776 -8.12748518 4.20549456 12.04884884 -4.26099952 -2.87069731 13.45104014 15.74559932 3.30368668 3.65443411 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 161050-58-4 105010 144211417 A A Methoxyfenozide Cc1c(cccc1OC)C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C Tox21_301100 -NCGC00016064-12 196698012 tox21-ror-cho-viability-p1 set1 -2.1 18.8336317891 -111.2399634227 4.139715186 -107.1002482367 2.4063783767 0.9693030179 5.526E-7 1.42883896 7.99350107 5.50794239 0.03825742 4.99043364 2.35723306 5.36948483 4.87727577 1.43825726 0.51619844 1.82373473 1.62826787 -0.3306795 -68.56644679 -90.60934707 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50679-08-8 5405 170465598 A Terfenadine CC(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4 Tox21_110295_1 -NCGC00181915-02 196698423 tox21-ror-cho-viability-p1 set1 4 -2.51970716 1.31674668 1.29080053 -2.05077075 0.34660198 -0.24098543 0.53534102 -1.73986947 -1.18206464 1.23969817 1.40673175 -1.90846882 -1.77616664 -4.03673157 -4.611851 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118635-52-2 164072 144206888 B C Mepranoprofen arbamel CN(C)C(=O)COC(=O)C(C)c1cc2Cc3ccc(C)nc3Oc2cc1 Tox21_113336_1 -NCGC00260504-01 196724172 tox21-ror-cho-viability-p1 set3 4 69.2877332643 -25.517276432 0 -25.517276432 4.9549173134 0.6474478834 0.065672424 -4.51567024 5.78360358 4.28047485 4.23921778 2.55767033 5.94283082 -0.4334123 -0.05994306 -7.10122396 -4.21628645 -3.91777877 0.69881527 -2.09980232 -0.76785043 -20.84773036 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.65E-8 1.487E-7 3.325E-7 7.4339999999E-7 0.000001662 0.0000037169999999 0.000008312 0.00001859 0.00004156 0.00009293 1564-64-3 74062 144210156 A F 9-Bromoanthracene Brc2c3ccccc3cc1ccccc12 Tox21_202958 -NCGC00160445-02 196698005 tox21-ror-cho-viability-p1 set1 4 -2.72487472 0.95145218 -2.32451359 -1.66362013 -2.36538025 -2.9744506 -1.57671493 -3.15530969 -1.55195644 -2.16725502 -0.98893309 -1.33914633 0.64841521 0.53022272 0.45285839 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 496-67-3 2447 170465828 A Bromisovalum CC(C)C(Br)C(=O)NC(N)=O Tox21_111815_1 -NCGC00167446-02 196698430 tox21-ror-cho-viability-p1 set1 4 -5.25522815 -2.30812263 -2.19710054 -1.32998561 -2.96062856 0.66653986 -0.54105507 -3.66733845 -1.71605076 0.57175444 -0.85441221 -1.20620345 -1.25542082 0.0657057 0.79546403 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 135-07-9 4121 170465243 A Methyclothiazide NS(=O)(=O)c2cc1c(NC(CCl)N(C)S1(=O)=O)cc2Cl Tox21_112450_1 -NCGC00262910-01 196698433 tox21-ror-cho-viability-p1 set1 4 -0.18692083 3.72513751 5.07718476 -1.05387773 4.36986412 4.204993 0.09373364 1.04231733 -0.61803046 -0.36801629 -0.83747252 0.47641875 4.92032927 0.09112738 -0.79056636 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4093-29-2 77720 170466678 A A Methyl 4-acetamido-o-anisate COc1cc(ccc1C(=O)OC)NC(C)=O Tox21_113908 -NCGC00254708-01 196698829 tox21-ror-cho-viability-p1 set1 4 1.90815144 0.75339764 3.19318733 1.81765308 1.67612674 1.15343744 -2.21873799 4.89055714 -2.04681918 5.02195403 4.42068479 3.77331464 4.30209578 5.8121791 -2.59028843 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 483-63-6 2883 144211121 A A Crotamiton CCN(C(=O)C=CC)c1ccccc1C Tox21_300804 -NCGC00254704-01 196698835 tox21-ror-cho-viability-p1 set1 4 4.48865497 3.29766065 2.06958762 3.77364424 4.56491642 2.12586423 4.79064508 3.89860958 6.09816072 0.99269439 8.35196693 0.5966199 3.79720681 8.71950371 1.64512239 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4940-11-8 21059 144211117 A A 2-Ethyl-3-hydroxy-4H-pyran-4-one OC1=C(CC)OC=CC1=O Tox21_300800 -NCGC00254417-01 196698836 tox21-ror-cho-viability-p1 set1 4 -0.47692826 1.80239654 -0.67092933 -0.16041343 1.26675273 1.21948382 0.14096253 3.88238539 0.75806984 -0.38337149 0.75834842 -0.93240614 -0.12544625 -0.03818363 1.95545831 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_47394 20725980 144210947 A Ac Grinstad Soft-N-Safe O=C(C)OC(COC(C)=O)COC(=O)CCCCCCCCCCC(CCCCCC)OC(C)=O Tox21_300630 -NCGC00255063-01 196698845 tox21-ror-cho-viability-p1 set1 4 15.3553036427 9.139536276 -1.139536276 8 2.7202212143 0.719387847 0.0303840059 -1.82520204 -0.66720743 1.34630473 -0.13542352 -0.65273271 0.06290165 -2.05158196 -5.11628023 2.80636802 -4.52921158 -2.77414955 -0.64215028 5.97869555 6.36050572 8.35535707 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-20-1 61007 144211482 A A 4-(4-Methoxyphenyl)-2-butanone COc1ccc(CCC(C)=O)cc1 Tox21_301165 -NCGC00254007-01 196698846 tox21-ror-cho-viability-p1 set1 4 19.3311819617 -8.959554252 -1 -9.959554252 4.9549173134 0.5791194318 0.113341225 -1.14356682 -0.55446838 0.03382459 0.31112249 1.12101364 0.73757342 -4.37943816 -3.90121368 0.49012395 -7.38985129 1.14705523 0.16058149 -5.2557608 -12.46629521 -6.88734678 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 127-07-1 3657 144210638 A Hydroxyurea NC(=O)NO Tox21_300319 -NCGC00254026-01 196698848 tox21-ror-cho-viability-p1 set1 4 27.3060203028 -13.511667744 0 -13.511667744 4.9549173134 0.3786279021 0.3090456012 3.24013835 5.6525239 2.73963083 -1.80467747 1.14450887 1.66728457 1.60357451 -0.67883572 -13.75972312 0.78063786 -1.82965694 2.66795821 -0.17336619 -13.21353854 1.05858475 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5392-40-5 8843 144210415 FC 3,7-Dimethyl-2,6-octadienal C\C(C)=C\CCC(C)=CC=O Tox21_300095 -NCGC00254195-01 196700030 tox21-ror-cho-viability-p1 set1 4 -2.46842444 -4.30787112 -4.3039576 -2.38862819 -3.71330703 -2.97801666 -0.65025192 -2.38030892 -1.18955672 0.456367 -1.96266383 0.07766699 -2.65902826 -0.89038923 -2.09127999 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1068967-96-3 25099474 144210580 A A SAR102608 Cc1nc(ncc1C(=O)Nn3cc(C)c2cc(F)ccc23)c4ccccn4 Tox21_300260 -NCGC00254782-01 196699611 tox21-ror-cho-viability-p1 set1 -1.1 1.0870722482 -95.3974155718 2.0967206029 -93.3006949689 1.9673362061 0.9928431234 1E-10 2.00286177 1.58364238 4.21501453 0.24465436 0.75172368 -0.47545594 4.02235642 -10.04883479 -25.08294952 -60.71743855 -94.34788589 -91.04987922 -94.81777944 -91.81686797 -86.7780566 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-56-1 7511 144211195 A Phenylmercuric chloride Cl[Hg]c1ccccc1 Tox21_300878 -NCGC00090858-02 196699624 tox21-ror-cho-viability-p1 set1 4 0.57277984 -3.05072651 -2.44302674 2.43258247 0.16971452 -2.78461458 -0.17968715 2.551749 1.64422272 0.3030931 -0.40775041 -7.29667024 -0.31833494 -4.51788331 1.85134935 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00255579-01 196700439 tox21-ror-cho-viability-p1 set1 -1.1 6.8171322038 -107.9423870675 1.5735180334 -106.3688690341 1.111 0.9861047182 5.7E-9 4.74219184 -1.47038766 3.59360082 0.93971394 1.8671519 0.51974441 1.86731124 1.29549341 -10.52155881 -21.12253492 -34.77527439 -49.35588305 -86.08738344 -100.15901039 -93.38688755 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 2390-60-5 75444 144211853 A A Basic Blue 7 [Cl-].CC/[N+](CC)=C1/C=C/C(C=C1)=C(\c3ccc(NCC)c2ccccc23)c4ccc(cc4)N(CC)CC Tox21_301536 -NCGC00256060-01 196700447 tox21-ror-cho-viability-p1 set1 4 12.1971512362 -12.6640699799 1.5 -11.1640699799 0.3 0.389196331 0.2838446715 -2.90690714 3.81674808 0.34875564 3.971567 -1.38390403 -0.01915929 -7.86578541 0.07089504 0.11556712 -4.05491622 -0.10702159 -7.28681991 -7.70719522 -2.16194542 -8.05339165 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16669-59-3 27979 144211720 A A N-(Isobutoxymethyl)acrylamide CC(C)COCNC(=O)C=C Tox21_301403 -NCGC00256105-01 196700451 tox21-ror-cho-viability-p1 set1 4 -3.71941193 2.3041135 1.9380234 -4.20521603 1.88787375 -0.19709735 1.99361388 2.23918189 -1.93202592 2.26788518 -3.67625064 -5.81939524 -1.59061459 -0.20717422 4.14557236 1.109E-9 2.4799999999E-9 5.5449999999E-9 1.2399999999E-8 2.772E-8 6.199E-8 1.3859999999E-7 3.1E-7 6.931E-7 0.00000155 0.000003465 0.000007749 0.00001733 0.00003874 0.00008664 75359-31-8 60196427 144212147 Fns Ditridecyl phthalate (mixture of branched chain isomers) CC(C)CC(C)CC(C)CC(C)COC(=O)c1ccccc1C(=O)OCC(C)CC(C)CC(C)CC(C)C Tox21_301830 -NCGC00256223-01 196700459 tox21-ror-cho-viability-p1 set1 4 61.130564862 11.523573808 -0.523573808 11 1.34431 0.6469944213 0.067564074 0.05856423 -3.76964484 -3.19117128 0.56586141 0.13383575 0.21892608 0.17557027 0.73685434 -0.02037841 -3.50644189 0.71924616 1.73960848 1.9091752 2.26768551 7.79642006 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2021-28-5 16237 144212654 A A Ethyl hydrocinnamate O=C(CCc1ccccc1)OCC Tox21_302337 -NCGC00090962-05 196701271 tox21-ror-cho-viability-p1 set1 4 76.4894813809 -16.573179484 0 -16.573179484 4.9549173134 0.5556030273 0.1316506011 1.83659456 0.48101498 -0.29441987 2.08695899 2.94760135 6.29636669 0.37856571 -1.02831231 -5.46341952 0.31186154 -5.81864722 0.24693612 -1.11624442 0.73530061 -12.97764957 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00255342-01 196701274 tox21-ror-cho-viability-p1 set1 4 19.3311819617 -15.9057017519 1 -14.9057017519 3.9294729863 0.9299169482 0.0000522053 -0.07159977 2.23173529 0.06423386 0.91496411 1.14251581 5.38475236 -0.05964041 0.04008607 0.55714874 -0.56001843 0.05168813 2.03580009 -6.29410078 -13.1232351 -15.75475146 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 72-33-3 6291 144212154 A A Mestranol COc3cc4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@@]1(O)C#C)c4cc3 Tox21_301837 -NCGC00255250-01 196701280 tox21-ror-cho-viability-p1 set1 4 0.685896219 -10.956031732 -0.5 -11.456031732 4.4494702849 0.8334499571 0.0036327879 0.02538546 -0.45206992 -2.0039438 -3.12226588 0.56214938 -0.64845816 0.29281074 0.89570161 -7.37863962 -8.38919849 -11.19155058 -9.28038288 -13.31547933 -7.55581529 -17.04669311 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 54965-21-8 2082 144212617 A A Albendazole O=C(OC)Nc1nc2cc(ccc2n1)SCCC Tox21_302300 -NCGC00255272-01 196701287 tox21-ror-cho-viability-p1 set1 4 1.28513548 2.19619255 3.73268327 -1.94743863 3.47990049 0.05739002 2.24852611 2.59069399 3.98899045 -1.68065773 0.04456155 -0.66300289 3.94436715 -0.32046355 0.53455484 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3547-33-9 19079 144212282 A A 2-Hydroxyethyl octyl sulfide OCCSCCCCCCCC Tox21_301965 -NCGC00254990-01 196699227 tox21-ror-cho-viability-p1 set1 -2.4 0.0273060203 -26.687394144 6 -20.687394144 0.5 0.8704290956 0.0011409211 2.59234702 -0.80813651 1.92112016 -6.73817029 -9.73188894 -12.12019875 -13.43767442 -15.56875973 -14.37584238 -16.60973255 -18.25395846 -16.97114415 -18.75662109 -15.87802263 -28.48949512 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96489-71-3 91754 144211407 A A Pyridaben CC(C)(C)N2N=CC(SCc1ccc(cc1)C(C)(C)C)=C(Cl)C2=O Tox21_301090 -NCGC00255231-01 196710253 tox21-ror-cho-viability-p1 set2 -2.2 54.4826732819 -68.8581507948 0.297960744 -68.5601900508 2.5334283767 0.9858327888 6.4E-9 1.1010157 2.43748026 0.39272999 0.17865055 1.16414009 2.80812737 0.78282206 -4.97703558 -0.72307743 0.32302587 -0.97089216 -0.59523192 -4.76264414 -22.4228283 -54.21226519 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1335-46-2 5371084 144211782 B Fns Methylionone CC1(C)CCC=C(C)C1/C=C/C(=O)CC Tox21_301465 -NCGC00255959-01 196710679 tox21-ror-cho-viability-p1 set2 4 4.49339705 -0.38233893 1.20324191 2.08798075 1.39374355 0.55609577 0.46929953 -0.42258759 0.0227514 0.4130489 -0.32183285 -0.32693205 1.12917878 0.43301304 0.44624126 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 38260-54-7 37995 144211889 F A Etrimfos CCc1nc(OCC)cc(OP(=S)(OC)OC)n1 Tox21_301572 -NCGC00256283-01 196711075 tox21-ror-cho-viability-p1 set2 4 6.22974164 -0.22804367 -0.19627421 -0.49952731 -2.08871198 -2.13997706 0.07468521 -0.82655385 -2.0318001 -0.49697424 -0.50993106 -1.39142856 -1.47972964 1.65809826 4.44729333 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7473-98-5 81984 144211992 A A 2-Hydroxy-2-methylpropiophenone O=C(c1ccccc1)C(C)(C)O Tox21_301675 -NCGC00255605-01 196711082 tox21-ror-cho-viability-p1 set2 4 5.59788199 5.98402132 1.9525459 2.90579507 2.54586804 -1.1263153 -0.03792989 0.05800806 0.48553128 1.44817378 -1.76445121 0.5239583 1.04619711 3.56678096 5.30642558 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5444-75-7 94310 144211793 A Ac 2-Ethylhexyl benzoate CCC(COC(=O)c1ccccc1)CCCC Tox21_301476 -NCGC00255604-01 196711088 tox21-ror-cho-viability-p1 set2 4 3.55554866 1.52289249 1.04371453 3.51307897 2.95291233 1.20801212 -0.5989838 0.09126857 0.91635861 3.59466389 0.41748816 -0.43297147 -0.70332849 -0.10122719 -1.16574611 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 48145-04-6 39485 144212040 Z Z 2-Phenoxyethyl acrylate C=CC(=O)OCCOc1ccccc1 Tox21_301723 -NCGC00255393-01 196711095 tox21-ror-cho-viability-p1 set2 4 68.5896218971 17.26893174 -0.76893174 16.5 4.0949729863 0.8447185231 0.0026887028 0.08393509 -1.45798679 -0.34388739 -2.16263138 1.71319 -2.19585039 -0.90154106 -0.6810426 -3.14077645 -2.74953851 -0.82987213 1.64499339 1.33306032 1.18637387 12.64694456 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5124-30-1 21202 144211790 F Ac 1,1-Methylenebis(4-isocyanatocyclohexane) O=C=N/C1CCC(CC1)CC2CCC(/N=C=O)CC2 Tox21_301473 -NCGC00260529-01 196711503 tox21-ror-cho-viability-p1 set2 4 -0.23666708 0.95501876 -0.14670048 -0.75286108 -0.21557138 -0.71599473 -7.69338115 1.70352297 2.83315194 -11.48496333 0.80758165 12.56065856 -0.66524317 3.1730646 6.43354979 1.219E-9 2.725E-9 6.093E-9 1.3619999999E-8 3.046E-8 6.8119999999E-8 1.5229999999E-7 3.406E-7 7.616E-7 0.000001703 0.000003808 0.000008515 0.000019039999999 0.00004257 0.0000952 95-83-0 7263 144210182 C C 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_202984 -NCGC00260631-01 196711924 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -13.878532724 0.5 -13.378532724 4.9549173134 0.682921551 0.0468626534 1.96715484 0.0918038 3.11879771 1.4847175 2.91053533 -2.59951682 -0.25417639 -1.92907684 -1.29746157 0.12756185 -2.98931939 0.06890602 3.16363934 0.55928249 -11.14877727 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49527 144210284 M M NTP Mix107 ER1 10-EQC Tox21_203086 -NCGC00260108-01 196711928 tox21-ror-cho-viability-p1 set2 4 5.5314817823 6.413914404 -2.413914404 4 3.1319983358 0.5419344351 0.1437007401 -0.85586181 -0.19442073 0.52550552 -4.87936576 -0.93178275 -1.50653038 -4.84964122 -1.43955788 -0.75277632 -7.84492867 0.6028572 2.01774902 4.06685952 1.40950638 6.69859734 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.679E-8 1.493E-7 3.3389999999E-7 7.467E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004174 0.00009334 638-65-3 12532 144209757 F Fc Octadecanenitrile CCCCCCCCCCCCCCCCCC#N Tox21_202559 -NCGC00260408-01 196712321 tox21-ror-cho-viability-p1 set2 4 -5.25155988 -9.55961871 -2.72863783 -5.64654335 -1.7736782 -0.28885578 -2.78720998 -4.86968901 -5.11840901 -6.4370586 -4.78679684 -1.17875598 -34.36963524 -0.82832824 -0.85529201 1.18E-9 2.6389999999E-9 5.9009999999E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.000001649 0.000003688 0.0000082469999999 0.00001844 0.00004124 0.000092209999999 638-45-9 12527 144210060 F F Hexane,1-iodo- CCCCCCI Tox21_202862 -NCGC00259013-01 196712327 tox21-ror-cho-viability-p1 set2 -2.1 9.7279659745 -83.7255605149 -5.119313737 -88.8448742519 1.331 0.7872542992 0.019173055 -0.15257813 2.15574216 -6.99217705 -8.59989204 -17.9200541 -0.68268839 -3.14734832 -6.3752138 -0.58552245 -11.19537098 -41.57958818 -22.49158858 -74.03739521 -19.62193209 -19.25212216 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.324E-8 2.96E-8 6.618E-8 1.4799999999E-7 3.309E-7 7.399E-7 0.0000016539999999 0.0000037 0.000008272 0.0000185 0.00004136 0.000092489999999 51-28-5 1493 144208660 A A 2,4-Dinitrophenol O=[N+]([O-])c1cc(ccc1O)[N+]([O-])=O Tox21_201462 -NCGC00259820-01 196706952 tox21-ror-cho-viability-p1 set1 4 0.13735704 1.4895048 2.51608249 4.87749866 -2.44728088 1.26799692 0.4396977 -0.43690868 0.10860248 -0.05370438 0.15648745 0.24530171 0.49989047 0.61593645 0.36988537 1.155E-9 2.582E-9 5.773E-9 1.291E-8 2.886E-8 6.454E-8 1.443E-7 3.227E-7 7.216E-7 0.000001614 0.000003608 0.000008068 0.000018039999999 0.00004034 0.0000902 6484-52-2 22985 144209469 A Ammonium nitrate [NH4+].[O-][N+]([O-])=O Tox21_202271 -NCGC00259450-01 196706939 tox21-ror-cho-viability-p1 set1 4 2.1800277432 8.488555696 -10.488555696 -2 4.9549173134 0.5577837247 0.1295796134 -10.61588292 -7.00950567 -9.88620974 -16.24046308 -13.99886145 -10.00349292 -6.89359242 -10.63611414 -5.66216036 -11.52707817 4.15380405 -1.36441795 -4.09024886 -4.09375597 -5.05234007 1.185E-9 2.651E-9 5.927E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3129999999E-7 7.409E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009261 868-85-9 6327114 144209099 D Dimethyl hydrogen phosphite O=P(OC)OC Tox21_201901 -NCGC00254293-01 196720493 tox21-ror-cho-viability-p1 set3 -2.2 54.4826732819 -51.4349903513 -2.213017027 -53.6480073783 3.0654483358 0.8681875113 0.0012343234 -7.85551613 -13.24571748 -2.54471166 -3.54341702 -4.90296316 -3.31525147 1.74300126 0.62824378 1.31751276 1.04122676 2.69986165 -4.88579543 1.33112978 -19.49543973 -44.43030862 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55285-14-8 41384 144210791 A Fc Carbosulfan CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12 Tox21_300473 -NCGC00090721-03 196720078 tox21-ror-cho-viability-p1 set3 4 0.16940891 -10.83437304 0.94583546 3.64370681 -4.18062497 -2.75976546 1.97323435 2.90780705 3.92378657 -2.15426281 3.61825864 -1.68981963 -2.14348518 3.72049332 2.89521879 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00254956-01 196720083 tox21-ror-cho-viability-p1 set3 4 -4.25088263 8.79889842 -4.89050949 -0.83693407 -1.09037958 -14.57354695 1.26580907 -0.776173 -2.66595949 0.55385527 -0.32957611 2.0922697 2.02726103 4.68311842 -1.5708355 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-09-5 6915 144211371 A A 2-Ethylbutyric acid CCC(CC)C(=O)O Tox21_301054 -NCGC00254066-01 196720087 tox21-ror-cho-viability-p1 set3 4 2.22336686 2.87177945 2.30760808 1.0920511 -1.38232751 -1.27344147 2.4642695 -3.23025265 1.4653747 3.41659085 0.78143779 1.19501342 10.03946205 -1.20796029 -2.7577861 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2451-62-9 17142 144210439 A B Triglycidyl isocyanurate O=C4N(CC1CO1)C(=O)N(CC2CO2)C(=O)N4CC3CO3 Tox21_300119 -NCGC00254573-01 196720497 tox21-ror-cho-viability-p1 set3 4 0.0030637859 12.8357701039 -13.8357701039 -1 0.6 0.3633585007 0.3085702985 -5.35042872 -12.77980842 -5.70368032 -1.05329308 -6.67840216 -5.42926677 2.24161011 -1.6945887 -3.94740602 2.40240776 -5.01408029 2.11130754 -0.97782352 0.67042084 -5.19433285 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2876-78-0 17891 144210982 A A Methyl 1-naphthaleneacetate O=C(OC)Cc2cccc1ccccc12 Tox21_300665 -NCGC00259645-01 196720921 tox21-ror-cho-viability-p1 set3 4 55.2037439078 10.5085355399 -8.0085355399 2.5 3.6772481694 0.5658090492 0.1245166049 -10.7131386 -4.2415552 -6.28531124 -5.23085769 -7.33453615 -8.23117736 -8.90314429 -10.16155702 -12.50711295 -7.69366304 -8.26700062 -10.36266087 -6.44848712 -5.34065304 1.12697543 1.193E-9 2.667E-9 5.964E-9 1.333E-8 2.982E-8 6.6669999999E-8 1.491E-7 3.3339999999E-7 7.4539999999E-7 0.0000016669999999 0.0000037269999999 0.0000083339999999 0.00001864 0.00004167 0.00009318 127-17-3 1060 144209294 D 2-Oxopropanoic acid CC(=O)C(=O)O Tox21_202096 -NCGC00259536-01 196720924 tox21-ror-cho-viability-p1 set3 -3 67.6142539768 -102.6520839565 -4.796501022 -107.4485849785 4.9549173134 0.8792539118 0.1190028694 -4.09892504 -1.96092712 -2.29535025 3.8699978 -4.85407776 -0.839977 -4.78415959 0.22151786 -1.96544434 -0.86736109 -18.79324853 -62.49201204 -27.16433611 -5.79221386 -89.09501242 1.166E-9 2.606E-9 5.8279999999E-9 1.303E-8 2.9139999999E-8 6.516E-8 1.457E-7 3.2579999999E-7 7.285E-7 0.000001629 0.0000036429999999 0.0000081449999999 0.00001821 0.00004073 0.00009106 133-07-3 8607 144209185 D Folpet ClC(Cl)(Cl)SN2C(=O)c1ccccc1C2=O Tox21_201987 -NCGC00259391-01 196720925 tox21-ror-cho-viability-p1 set3 4 -3.3472017 -4.30493903 -5.59180545 -8.6524355 -7.88489146 -7.6277424 -0.46662855 -0.44208968 -1.24678963 -5.69998896 -0.8963735 -1.37432848 -3.92303387 -7.06121768 -0.66735328 1.1919999999E-9 2.6659999999E-9 5.9609999999E-9 1.333E-8 2.981E-8 6.6649999999E-8 1.49E-7 3.332E-7 7.451E-7 0.0000016659999999 0.000003726 0.0000083309999999 0.00001863 0.000041649999999 0.000093139999999 112-72-1 8209 144209040 A A 1-Tetradecanol CCCCCCCCCCCCCCO Tox21_201842 -NCGC00259238-01 196721302 tox21-ror-cho-viability-p1 set3 -2.4 77.115374479 -32.50354108 -3.44041806 -35.94395914 0.9999999999 0.8127448133 0.0060428907 -4.52462508 -0.93610938 -0.44367862 -0.36701505 -5.09156744 -6.12021498 -5.83019409 -4.39734789 -6.66693023 -2.61649824 -7.27071346 -5.4403748 -6.61295753 -12.01332584 -26.61996595 1.182E-9 2.6429999999E-9 5.91E-9 1.322E-8 2.955E-8 6.608E-8 1.4779999999E-7 3.304E-7 7.388E-7 0.0000016519999999 0.0000036939999999 0.0000082599999999 0.000018469999999 0.000041299999999 0.00009235 71125-38-7 54677470 144208887 A A Meloxicam Cc3cnc(NC(=O)C2=C(O)c1ccccc1S(=O)(=O)N2C)s3 Tox21_201689 -NCGC00259347-01 196721306 tox21-ror-cho-viability-p1 set3 -2.4 39.0812577817 -26.491879164 -4.303402864 -30.795282028 1.826479391 0.8792665593 0.000815899 -6.03873398 -1.9944908 -6.24658581 -5.71796552 -6.59728217 -8.40943568 -3.39091563 -2.73154858 -5.54010384 -0.25283572 -2.28695289 -8.58327747 -6.53355839 -19.0329842 -27.32940169 1.193E-9 2.667E-9 5.963E-9 1.333E-8 2.981E-8 6.6669999999E-8 1.491E-7 3.3329999999E-7 7.4539999999E-7 0.0000016669999999 0.0000037269999999 0.000008333 0.00001863 0.00004167 0.00009317 126-72-7 31356 144208996 A A Tris(2,3-dibromopropyl) phosphate BrCC(Br)COP(=O)(OCC(Br)CBr)OCC(Br)CBr Tox21_201798 -NCGC00091650-03 196721308 tox21-ror-cho-viability-p1 set3 4 0.6113056486 10.4003656719 -6.9003656719 3.5 1.4787409999 0.8027894203 0.0075514331 -10.33363806 -8.07854397 -6.03102901 -4.15910542 -6.13911301 -5.76922622 -7.78270823 -0.43599603 -5.05767537 5.14638532 2.4241499 3.83320591 3.31369959 5.12126895 0.85446353 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00255008-01 196720535 tox21-ror-cho-viability-p1 set3 4 2.83038303 -3.18730441 -0.31703638 -2.66458168 -0.90990552 1.5663697 5.86439644 5.06741563 6.79993922 -2.85982539 -1.21034104 5.01413356 6.54933932 1.02042299 3.56360633 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-29-6 5355856 144211425 B F Geranyl butyrate C\C(C)=C\CCC(\C)=C\COC(=O)CCC Tox21_301108 -NCGC00256124-01 196700084 tox21-ror-cho-viability-p1 set1 4 -1.21463405 1.2830418 4.01704583 3.90618891 4.01910933 2.23498932 0.65696616 6.28391086 1.05888134 2.65830695 10.49246826 3.58081789 3.11931566 2.10416459 0.94550509 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 831-59-4 71577 144211823 A Disodium benzene-1,3-disulfonate [Na+].[Na+].O=S([O-])(=O)c1cccc(c1)S([O-])(=O)=O Tox21_301506 -NCGC00254418-01 196699243 tox21-ror-cho-viability-p1 set1 -1.2 15.3553036427 -41.897440547 1.774339367 -40.12310118 3.0654483358 0.9827032576 2.05E-8 4.82729501 -1.93567282 1.01646908 3.2610325 0.71701073 0.04772052 -0.89845042 0.69965174 4.72453259 1.10798231 1.38865475 -1.76685166 -24.86246279 -39.68591765 -38.4529433 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79902-63-9 54454 144210718 B C Simvastatin CC(C)(CC)C(=O)O[C@H]2C[C@@H](C)C=C3C=C[C@H](C)[C@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@@H]23 Tox21_300400 -NCGC00091088-05 196699266 tox21-ror-cho-viability-p1 set1 4 0.11033666 0.02994642 0.3750608 -1.16685905 -0.1947139 1.32313416 0.9697066 -0.40542445 0.53495857 1.04522181 1.43130522 1.01967364 5.76638322 1.22754028 1.10442376 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00254921-01 196699670 tox21-ror-cho-viability-p1 set1 4 0.45443667 2.12040999 0.56280274 -0.40406909 1.31386895 0.79997473 1.15041279 1.76856573 -0.48772023 2.53958756 -0.02428365 -0.57172318 2.47078953 1.52310418 3.13701994 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 1117-86-8 14231 144211336 A A 1,2-Octanediol OCC(O)CCCCCC Tox21_301019 -NCGC00256179-01 196700088 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -9.609342188 0.5 -9.109342188 4.9549173134 0.4088545962 0.2677237254 -0.38298108 3.44270656 -2.48115111 -1.81183256 -0.9259742 0.42063033 4.87185641 0.14810105 2.8469489 -0.57251286 -0.48732077 -1.77085002 2.97386862 0.32701271 -6.34111849 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 873-94-9 13398 144212044 F Fns 3,3,5-Trimethylcyclohexanone CC1CC(=O)CC(C)(C)C1 Tox21_301727 -NCGC00255467-01 196700091 tox21-ror-cho-viability-p1 set1 -1.1 17.2289340586 -86.0154861689 -2.950715537 -88.9662017059 2.2526478767 0.9897553517 1E-9 -1.09535327 -6.92919563 -0.93012429 -1.68153514 -2.68231075 0.01686327 -7.88645208 0.23029798 -3.25004443 0.2588583 -10.28969901 -16.52572422 -49.16515042 -81.65937679 -84.24829707 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 31519-22-9 671 144211972 B Fc 1,4-Dihydroxy-2-naphthoic acid O=C(O)c2cc(O)c1ccccc1c2O Tox21_301655 -NCGC00255781-01 196700491 tox21-ror-cho-viability-p1 set1 4 -7.96563171 -5.76597552 -3.83319663 -3.98636434 -0.04296318 -7.74237565 1.37055473 -5.12393415 -0.52338459 -3.47205041 3.06153827 -2.66102692 -7.92659481 -5.85118097 4.20843871 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1131-18-6 70801 144212262 A A 3-Methyl-1-phenyl-1H-pyrazol-5-amine Nc2cc(C)nn2c1ccccc1 Tox21_301945 -NCGC00256016-01 196700499 tox21-ror-cho-viability-p1 set1 4 9.6885416101 13.0039083479 -4.5039083479 8.5 1.01 0.8780853192 0.0008635335 -3.85668209 -5.37335167 -5.97872613 -1.87358772 -5.59861704 -2.25079131 -4.33495402 -4.17925676 -7.08659029 -0.92298015 -0.24253014 1.47482449 4.40168364 4.6852084 8.28423397 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 151-10-0 9025 144212665 A A 1,3-Dimethoxybenzene COc1cccc(OC)c1 Tox21_302348 -NCGC00094532-06 196700503 tox21-ror-cho-viability-p1 set1 4 5.65795203 3.86351097 5.19425856 4.64057101 -0.61527984 4.9406166 2.72954281 0.1879008 2.09713893 4.79263623 1.6175045 2.22018574 1.27897611 1.02176759 1.9608147 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00256254-01 196700504 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -10.447111084 1 -9.447111084 3.2974983358 0.3512612734 0.3218451946 2.2441046 3.0207946 3.62391848 1.44587868 0.88940601 -5.49373181 -3.29109088 5.16844587 0.65220723 2.116119 0.98903485 -1.03807221 0.06086428 -0.50234066 -6.62259257 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6928-67-2 81346 144211818 A A Dipropyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate Clc1c(c(c(Cl)c(Cl)c1Cl)C(=O)OCCC)C(=O)OCCC Tox21_301501 -NCGC00255286-01 196700507 tox21-ror-cho-viability-p1 set1 4 0.50843802 -0.53551697 0.06598195 -0.15031891 0.07239508 -6.36584466 0.16420318 0.17152854 1.14000618 -7.17140167 0.28209689 -0.18627736 3.85200927 -0.61145234 -1.48135085 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55512-33-9 41463 144211564 D Pyridate O=C(SCCCCCCCC)Oc2cc(Cl)nnc2c1ccccc1 Tox21_301247 -NCGC00257661-01 196730444 tox21-ror-cho-viability-p1 set3 4 62.1265755315 -14.371832968 1.5 -12.871832968 4.9549173134 0.8659303195 0.0013712951 1.30675493 1.43783697 -0.43242797 -0.13124965 1.54400156 0.55580841 0.77077687 1.24711614 2.06301862 5.28511069 1.38415144 1.70945987 2.02462548 -0.09615791 -11.14319414 1.196E-9 2.6729999999E-9 5.978E-9 1.337E-8 2.989E-8 6.684E-8 1.494E-7 3.3419999999E-7 7.4719999999E-7 0.000001671 0.000003736 0.0000083539999999 0.000018679999999 0.00004177 0.000093409999999 68085-85-8 6440556 144207305 A A Cyhalothrin Cl\C(=C/[C@@H]3[C@H](C(=O)O[C@H](C#N)c2cccc(Oc1ccccc1)c2)C3(C)C)C(F)(F)F Tox21_200107 -NCGC00357010-01 196702939 tox21-ror-cho-viability-p1 set1 4 6.55762547 -3.58247801 5.5620073 -0.0374408 1.16084793 1.89607034 2.35762293 8.881216 1.31911804 1.41045784 1.48437003 5.26900717 0.14004404 1.10226683 7.83302404 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 19532-03-7 23672326 251919800 A Sodium 2-amino-5-sulfonaphthalene-1-sulfonate [Na+].O=S(=O)(O)c2cccc1c2ccc(N)c1S([O-])(=O)=O Tox21_303913 -NCGC00257835-01 196702524 tox21-ror-cho-viability-p1 set1 4 -4.33369926 0.03549712 1.08502499 -1.17824407 0.69986644 -5.08372307 5.64108481 3.19182136 -1.80033046 -1.62998875 4.42491055 4.21587144 -1.6378157 -3.6910398 0.47091878 1.194E-9 2.671E-9 5.9709999999E-9 1.335E-8 2.986E-8 6.676E-8 1.493E-7 3.338E-7 7.464E-7 0.000001669 0.000003732 0.000008345 0.00001866 0.000041729999999 0.000093299999999 110-03-2 8031 144207479 A A 2,5-Dimethylhexane-2,5-diol CC(O)(C)CCC(C)(C)O Tox21_200281 -NCGC00257695-01 196702533 tox21-ror-cho-viability-p1 set1 4 -1.31071039 -1.67108152 -0.25569008 3.95828843 1.75326872 10.85539178 11.11235503 1.64278095 -0.44527934 4.5722638 1.30917194 -0.31829277 1.75639854 1.89844518 3.65464228 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.9479999999E-8 6.591E-8 1.474E-7 3.296E-7 7.369E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 71-58-9 6279 144207339 A A Medroxyprogesterone acetate CC(=O)[C@@]3(OC(C)=O)CC[C@H]2[C@@H]4C[C@H](C)C1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_200141 -NCGC00258464-01 196702534 tox21-ror-cho-viability-p1 set1 -2.4 33.4313524784 -28.05773852 -4 -32.05773852 0.8999999999 0.7432528473 0.0215823599 -4.05835342 -2.6608277 -2.71933153 -3.45689873 -2.35197774 -4.80436655 -14.05377247 0.01718577 -6.15972922 -6.5597244 -8.11329978 -3.64420741 -16.54717381 -24.2147821 -21.84310437 1.2689999999E-9 2.8379999999E-9 6.345E-9 1.4189999999E-8 3.173E-8 7.094E-8 1.5859999999E-7 3.547E-7 7.931E-7 0.0000017739999999 0.000003966 0.000008868 0.000019829999999 0.00004434 0.000099139999999 935-95-5 13636 144208108 A A 2,3,5,6-Tetrachlorophenol Oc1c(Cl)c(Cl)cc(Cl)c1Cl Tox21_200910 -NCGC00260624-01 196702942 tox21-ror-cho-viability-p1 set1 4 -0.49531908 4.74050255 -4.43013461 -0.82172373 2.36110174 -0.13034243 2.33221506 6.59026061 1.20797934 0.08899741 -3.59522087 7.78864742 1.92149494 2.29103624 2.92764125 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49520 144210277 M M NTP Mix100 ER1 10-EQC Tox21_203079 -NCGC00357281-01 196702945 tox21-ror-cho-viability-p1 set1 4 61.130564862 -16.474101928 0.5 -15.974101928 4.9549173134 0.6439325374 0.0681494187 4.97792487 -0.76621366 3.10833008 1.56709145 -0.73672693 -1.9460429 1.7118823 1.81323768 0.60395257 -7.40515403 1.67027455 -1.14099005 2.22974704 -1.47787891 -14.14508494 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3424-82-6 246598 251919667 A o,p'-DDE Clc2ccccc2\C(=C(/Cl)Cl)c1ccc(Cl)cc1 Tox21_304022 -NCGC00357172-01 196702953 tox21-ror-cho-viability-p1 set1 4 -0.41698007 3.95306142 4.12088276 -0.43520937 -1.84698428 1.35547368 -0.78957246 4.13625228 -3.26203778 1.27672717 8.37580346 1.82791152 7.56550887 4.34785207 5.450614 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_52866 40463 251919739 Fns cis-Permethrin in cyclohexane Cl/C(Cl)=C/[C@H]3[C@@H](C(=O)OCc2cccc(Oc1ccccc1)c2)C3(C)C Tox21_303933 -NCGC00090952-07 196702956 tox21-ror-cho-viability-p1 set1 4 -0.50909425 1.72103152 1.81381879 -8.50977174 2.52319383 -9.38794038 0.99159305 0.22076282 -0.2510092 0.66533923 3.08308829 -1.27468274 0.21545558 -10.37574794 -0.76656478 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00260338-01 196703371 tox21-ror-cho-viability-p1 set1 4 -2.27080149 -1.38981127 -0.1389356 -0.24159235 0.25300703 0.09134006 -0.64244905 4.22536573 -0.07514354 -3.29140682 -0.81191031 -0.3938139 -2.0160518 0.63871543 0.48981201 4.424E-12 9.892E-12 2.212E-11 4.946E-11 1.106E-10 2.4729999999E-10 5.53E-10 1.237E-9 2.765E-9 6.183E-9 1.382E-8 3.091E-8 6.912E-8 1.5459999999E-7 3.456E-7 1746-01-6 15625 144209990 Fns 2,3,7,8-Tetrachlorodibenzo-p-dioxin Clc1cc2Oc3cc(Cl)c(Cl)cc3Oc2cc1Cl Tox21_202792 -NCGC00256077-01 196700477 tox21-ror-cho-viability-p1 set1 4 0.8634921799 -6.232754684 -2.34752994 -8.580284624 0.8999999999 0.5377944771 0.1636082471 -3.52961385 -1.29200751 -0.9233245 -2.1610438 -3.55809111 -4.94955097 -2.64045219 -0.70627495 -6.63297775 -5.41545146 -11.73357052 -8.16758431 -3.48087642 -10.32167586 -5.15861747 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5344-27-4 72921 144211938 A A 2-(Pyridin-4-yl)ethanol OCCc1ccncc1 Tox21_301621 -NCGC00254256-01 196700050 tox21-ror-cho-viability-p1 set1 4 -4.57258394 2.47711621 -3.3034532 -2.33291695 -1.31635182 -7.03897814 -0.69531359 -2.30013768 -5.68779734 -0.99747088 -3.34820939 -1.50756262 3.43029673 -4.21838037 3.3451157 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-44-4 8115 144210832 A Bis(2-chloroethyl) ether ClCCOCCCl Tox21_300514 -NCGC00253930-01 196700057 tox21-ror-cho-viability-p1 set1 4 -4.72039823 -0.35277928 1.99294495 -0.93369774 -0.40363254 0.86452349 -3.75105437 0.20688196 -0.92750867 -1.07266461 -0.32736603 -1.01506194 -4.20315937 -2.24658414 0.25775133 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 219790-72-4 9931156 144210541 A A SB281832 OCC(CO)n4cnc(c1ccc(F)cc1)c4c3ccnc(Oc2ccccc2)n3 Tox21_300221 -NCGC00255567-01 196700469 tox21-ror-cho-viability-p1 set1 4 54.4826732819 -13.388457656 0 -13.388457656 3.9899729863 0.6184961692 0.0848343195 -2.38432751 -6.0058976 1.49998102 0.63101717 4.14974705 -2.39483652 -0.0259161 2.07220879 2.57393392 1.72585148 -0.26348619 -2.01637368 0.58503288 -3.13262414 -11.99038138 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6259-76-3 14205677 144211698 A F Hexyl salicylate O=C(O)c1ccccc1OCCCCCC Tox21_301381 -NCGC00015857-09 196713156 tox21-ror-cho-viability-p1 set2 4 1.84949665 4.32917611 0.13370636 -0.61924931 1.14013367 -0.09605178 1.30701667 0.81745244 1.40044911 0.39308384 -0.0842029 4.22096726 -0.24760242 3.4270046 3.53912032 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3605-01-4 4850 170466242 A Piribedil c1cc(cc2OCOc12)CN3CCN(CC3)c4ncccn4 Tox21_110245_1 -NCGC00016498-08 196713157 tox21-ror-cho-viability-p1 set2 4 -3.95272235 -2.41135925 -3.77748718 -2.32861856 2.0026602 -0.11160843 -2.74343063 0.69717263 2.01938391 0.48993775 -2.63693461 0.95136547 1.14759433 -3.78814531 0.67890346 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 536-43-6 68304 170464776 A Dyclonine hydrochloride Cl.CCCCOc1ccc(cc1)C(=O)CCN2CCCCC2 Tox21_110459_1 -NCGC00160363-03 196713158 tox21-ror-cho-viability-p1 set2 4 -0.81544799 -0.17618182 -0.39118906 -0.49572988 -2.16713188 0.84432333 -1.32202596 -0.56090086 -0.71070334 -0.41328836 1.06086429 0.15398598 -2.98829323 -1.6730653 0.51668444 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 30103-44-7 65770 170466411 A Bumecaine CCCCN2CCCC2C(=O)Nc1c(C)cc(C)cc1C Tox21_111764_1 -NCGC00182999-01 196713161 tox21-ror-cho-viability-p1 set2 4 0.64221122 -1.38425844 1.67141831 -0.02978939 0.19245201 1.35764284 0.24299075 0.50274206 6.81527456 1.72935842 1.93279092 0 2.05390326 7.48650755 7.16349182 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 99665-00-6 20056549 144206879 A B Flomoxef O=C2N1C(=C(CO[C@H]1[C@@]2(OC)NC(=O)CSC(F)F)CSc3nnnn3CCO)C(=O)O Tox21_113328 -NCGC00274279-01 196713162 tox21-ror-cho-viability-p1 set2 4 1.09309617 -0.22579026 0.41089292 0.08824041 0.68850445 1.25912759 1.082565 1.45043052 1.98359924 1.81308402 1.10000937 -0.58458277 0.78348592 2.83055628 4.20574212 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 89371-44-8 129109 170466100 A F Imidaprilat OC(=O)C2CN(C)C(=O)N2C(=O)C(C)NC(CCc1ccccc1)C(=O)O Tox21_113982 -NCGC00259107-01 196708627 tox21-ror-cho-viability-p1 set2 4 -0.79533063 -0.25421092 1.00955894 -1.92087909 -3.66670811 -0.66508786 0.30737909 1.04135146 -2.16753845 -2.59514075 -2.29312671 0.63359371 -2.39445094 -0.8231779 -3.55054079 1.2849999999E-9 2.874E-9 6.425E-9 1.437E-8 3.213E-8 7.184E-8 1.606E-7 3.592E-7 8.032E-7 0.000001796 0.000004016 0.00000898 0.000020079999999 0.000044899999999 0.0001004 137-32-6 8723 144208756 A Ac 2-Methyl-1-butanol CC(CC)CO Tox21_201558 -NCGC00259818-01 196708610 tox21-ror-cho-viability-p1 set2 4 53.5421316653 -28.278635724 0.5 -27.778635724 1.2221 0.8688921353 0.0012124257 -0.94711732 1.40131288 -0.42744329 2.77993302 0.37793494 0.63526154 1.14400756 -0.25118588 1.05894241 -0.11693637 -2.20640392 -7.56289927 -1.49688563 -9.99388265 -19.81552977 1.163E-9 2.601E-9 5.817E-9 1.301E-8 2.908E-8 6.5039999999E-8 1.454E-7 3.252E-7 7.2709999999E-7 0.0000016259999999 0.000003636 0.000008129 0.00001818 0.00004065 0.000090889999999 63-05-8 6128 144209467 A A 4-Androstene-3,17-dione O=C2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_202269 -NCGC00258806-01 196708611 tox21-ror-cho-viability-p1 set2 4 24.1139454486 8.72741148 -0.72741148 8 4.9549173134 0.631587595 0.0764190185 0.80524291 -1.25584567 -1.61258627 -2.2728429 -1.57834937 -0.55384738 0.46020365 -0.55139028 -2.22939126 6.62877191 -2.26456777 -1.42050564 0.79550131 7.42634623 7.98594848 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 115-96-8 8295 144208452 A A Tris(2-chloroethyl) phosphate ClCCOP(=O)(OCCCl)OCCCl Tox21_201254 -NCGC00259068-01 196708624 tox21-ror-cho-viability-p1 set2 4 48.4096291312 -28.277354252 -0.5 -28.777354252 2.4063783767 0.9457669007 0.4701938792 -0.87920469 -36.21659299 0.29711716 0.70657807 1.12196699 -1.55650614 -3.39678862 -1.91345045 -1.89210319 -0.36055138 -1.85110149 0.66886092 -0.35682787 -13.42015882 -23.14779521 1.177E-9 2.6319999999E-9 5.886E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.000003679 0.000008225 0.00001839 0.00004113 0.00009196 304-28-9 9352 144208716 A A 2,7-Acetylaminofluorene CC(=O)Nc1ccc2c3ccc(cc3Cc2c1)NC(C)=O Tox21_201518 -NCGC00259100-01 196709023 tox21-ror-cho-viability-p1 set2 4 15.4021622344 -18.981923628 0 -18.981923628 1.8851180601 0.7025217509 0.0369885384 3.60937383 0.4606773 -3.507069 1.98792557 -3.45238477 -0.20912293 -1.77496327 -1.61216 0.12103837 1.84840793 0.10429914 0.10505375 -19.09782644 -7.22745625 -23.31826969 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004132 0.0000924 35554-44-0 37175 144208749 A A Imazalil Clc2ccc(C(OCC=C)Cn1ccnc1)c(Cl)c2 Tox21_201551 -NCGC00259104-01 196709026 tox21-ror-cho-viability-p1 set2 4 -4.39824584 0.09907109 1.01244283 -1.31947199 -2.35632994 -2.9951194 -2.4838145 -2.50777216 -2.85478733 -2.27301978 -0.86829162 -0.50029424 -1.75167214 -0.10740499 -0.73512272 1.175E-9 2.628E-9 5.877E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.346E-7 0.000001643 0.000003673 0.0000082129999999 0.000018359999999 0.00004107 0.000091819999999 124-02-7 31279 144208753 FNS Diallylamine C=CCNCC=C Tox21_201555 -NCGC00259077-01 196709440 tox21-ror-cho-viability-p1 set2 4 -0.0069409 -0.40514816 -2.25677695 0.72840698 -0.84618282 2.62546673 0.62481142 9.11441519 0.40438039 1.78857839 2.12197159 -1.39769535 1.30576931 9.71354581 0.76306648 1.195E-9 2.6729999999E-9 5.976E-9 1.336E-8 2.988E-8 6.682E-8 1.494E-7 3.341E-7 7.47E-7 0.0000016699999999 0.000003735 0.000008352 0.000018679999999 0.000041759999999 0.000093379999999 73-31-4 896 144208725 A A Melatonin CC(=O)NCCc2cnc1ccc(cc12)OC Tox21_201527 -NCGC00247675-01 196722931 tox21-ror-cho-viability-p1 set3 4 0.024788526 -13.78236296 -22.27969559 -5.60209012 -22.09236892 -3.21738154 -2.25271966 -3.00444267 -1.35523056 -3.31590731 3.27117196 5.4603126 4.69056094 1.01122169 5.02479511 14.06331121 1.386E-9 3.0999999999E-9 6.9309999999E-9 1.55E-8 3.4649999999E-8 7.749E-8 1.733E-7 3.874E-7 8.6639999999E-7 0.000001937 0.0000043319999999 0.000009686 0.00002166 0.000048429999999 0.00010829999999 5688-80-2 60196310 144206376 A A 3,4,5-Trimethoxyamphetamine hydrochloride Cl.COc1c(cc(cc1OC)CC(C)C)OC Tox21_112823 -NCGC00253753-01 196722523 tox21-ror-cho-viability-p1 set3 4 0.67800891 -1.07786269 -0.574815 -1.20494362 -1.7980577 0.61811199 0.19433989 1.6937025 12.64312509 0.82693568 4.57512982 -0.6358091 -1.06441002 2.43865161 -4.41174796 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53786-46-2 104610 170466709 A A Ethyl 4-(5-chloro-2,3-dihydro-2-oxo-1h-benzimidazol-2-yl)piperidine-1-carboxylate Clc2cc3NC(=O)N(C1CCN(CC1)C(=O)OCC)c3cc2 Tox21_113868 -NCGC00253704-01 196722525 tox21-ror-cho-viability-p1 set3 -2.1 16.7854920005 -127.0543973781 2.2641723421 -124.790225036 1.9673362061 0.964438717 0.0000012674 3.76566486 5.24850432 2.53187014 5.95660463 -1.75158393 2.8520187 6.00052 5.99049 -1.11156228 -2.04156395 -10.47312826 -9.69088687 -11.60751632 -82.9567524 -107.20809711 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1458-18-0 73828 170466763 A A Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate Clc1nc(C(=O)OC)c(N)nc1Cl Tox21_113824 -NCGC00015755-10 196722527 tox21-ror-cho-viability-p1 set3 4 0.3349145963 -5.712959208 5.5 -0.212959208 3.5117481694 0.459140388 0.217013789 4.19766351 2.28223262 2.78236681 11.51920443 2.84843553 9.56048254 4.75767675 5.08751446 2.39026867 -1.96705474 0.55028152 1.38974911 0.64155339 3.26075694 -6.01079934 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 42471-28-3 39214 170466029 A Nimustine Nc1nc(C)ncc1CNC(=O)N(CCCl)N=O Tox21_110214_1 -NCGC00015959-09 196722958 tox21-ror-cho-viability-p1 set3 -1.2 1.4575039053 -40.6806102925 -1.988405491 -42.6690157835 4.9549173134 0.8344280431 0.0035083683 7.9079572 -15.897799 0.34518646 -11.95413554 6.09108957 -5.25549878 0 -6.75861159 -2.96080768 -6.96903053 10.38270156 -44.50135335 -39.98604726 -41.49212424 -40.2554972 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 2447-54-3 5154 170466353 A Sanguinarine C[n+]2cc1c6OCOc6ccc1c3ccc4cc5OCOc5cc4c23 Tox21_110268_1 -NCGC00259585-01 196722149 tox21-ror-cho-viability-p1 set3 4 -5.52559104 -6.6791619 -4.54581703 0.09787913 -0.68955143 -5.64369616 -5.74301278 -4.74597221 -5.27877099 -3.34554196 -3.98032902 -1.90849622 -4.484017 -5.39930511 -3.94546514 1.172E-9 2.6199999999E-9 5.859E-9 1.31E-8 2.929E-8 6.55E-8 1.465E-7 3.275E-7 7.324E-7 0.0000016379999999 0.000003662 0.000008188 0.00001831 0.00004094 0.00009154 1929-82-4 16004 144209234 A A Nitrapyrin ClC(Cl)(Cl)c1cccc(Cl)n1 Tox21_202036 -NCGC00259532-01 196722151 tox21-ror-cho-viability-p1 set3 4 30.3265518896 10.440401692 -2.440401692 8 4.5044702849 0.6603443576 0.0586848611 -2.75931368 -0.29417023 -3.41173038 -10.36700141 -0.44416257 -2.87730432 -2.5038097 -1.76894023 -0.70294381 -1.12730106 -3.40371353 -0.80817489 -1.7338584 5.8374708 8.08162157 1.1699999999E-9 2.6159999999E-9 5.849E-9 1.3079999999E-8 2.925E-8 6.54E-8 1.462E-7 3.27E-7 7.3119999999E-7 0.000001635 0.000003656 0.000008175 0.00001828 0.000040869999999 0.0000914 2461-15-6 17162 144209181 A F 2-Ethylhexyl glycidyl ether CCC(CCCC)COCC1CO1 Tox21_201983 -NCGC00015251-13 196722560 tox21-ror-cho-viability-p1 set3 4 4.46342802 9.92916432 7.4758196 12.48457261 8.66276966 -0.09751331 3.85784081 0.60557303 16.12042005 10.75338666 5.0895292 14.3444295 8.4339314 8.85109764 13.44993672 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23593-75-1 2812 170464807 F Clotrimazole Clc1ccccc1C(c2ccccc2)(c3ccccc3)n4ccnc4 Tox21_110111_1 -NCGC00016385-08 196722961 tox21-ror-cho-viability-p1 set3 4 -9.97336003 -13.11419762 -4.81158353 2.04231148 -7.18348181 -8.13200298 -7.48449064 -9.50996832 -5.03628437 -7.57276981 -9.84082331 -12.26091819 -10.16537742 -9.90184173 -3.3051627 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127-71-9 5319 170465133 A Sulfabenzamide Nc1ccc(cc1)S(=O)(=O)NC(=O)c2ccccc2 Tox21_110410_1 -NCGC00164590-02 196722974 tox21-ror-cho-viability-p1 set3 4 3.3491459627 -13.6480249359 -0.5 -14.1480249359 1.9673362061 0.910260682 0.0001882402 -1.67906537 0.15045854 -0.1474901 0.08607738 -1.02993864 -2.61701317 -0.23990816 4.00415482 -3.10172271 -3.08011454 -2.18622111 -9.00081362 -12.66637414 -13.24680326 -14.29002078 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67392-87-4 68873 170464870 A Drospirenone O=C1CC[C@]6(O1)[C@H]2C[C@H]2[C@H]5[C@@H]7[C@H]3C[C@H]3C4=CC(=O)CC[C@]4(C)[C@H]7CC[C@@]56C Tox21_112216_1 -NCGC00248247-02 196722976 tox21-ror-cho-viability-p1 set3 4 0.18450014 4.90164218 5.20239244 -2.85804938 3.86037602 2.31195595 4.7779921 -2.18194497 9.06941969 7.41634347 7.51977232 -0.38841449 -1.56250431 5.83220457 21.3809532 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 624-48-6 5271565 170466784 F A Dimethyl maleate COC(=O)/C=C\C(=O)OC Tox21_113653 -NCGC00249894-01 196723376 tox21-ror-cho-viability-p1 set3 4 0.0026603212 -16.6166752159 16.5 -0.1166752159 1.6266150999 0.655075874 0.0726104737 13.48015647 15.81125322 4.70890488 5.57544464 -1.88649371 2.80205877 -3.89079856 5.4614975 -1.3593139 2.77719226 1.75358769 -5.93056268 -5.9067624 4.03000219 7.8934943 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 93390-81-9 56339 170465016 A Fosphenytoin OP(=O)(O)OCN1C(=O)C(NC1=O)(c2ccccc2)c3ccccc3 Tox21_113670 -NCGC00357140-01 196724639 tox21-ror-cho-viability-p1 set3 4 29.8492948118 -15.5730393 1 -14.5730393 4.9549173134 0.7236651713 0.0286697962 -2.95562468 1.28131527 1.20365832 -0.86625378 4.94820072 3.24873235 -0.04290572 1.69604036 3.80204586 0.31146369 0.83355143 -3.33618869 1.03690946 -1.31871682 -12.97753275 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 624-18-0 12205 251919643 Fns 1,4-Benzenediamine dihydrochloride Cl.Cl.Nc1ccc(N)cc1 Tox21_303880 -NCGC00016280-07 196725036 tox21-ror-cho-viability-p1 set3 4 0.003349146 10.4394061479 -10.9394061479 -0.5 4.9549173134 0.5949922586 0.1152346878 -9.31975112 -12.86617179 -7.24586637 3.50960315 -1.24733532 -5.64277869 -5.35765494 3.67124529 -0.50302013 1.7446981 1.90854983 1.04288197 -1.2563771 -5.92199662 -10.70140017 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61-80-3 6103 170466122 A Zoxazolamine Clc1cc2nc(N)oc2cc1 Tox21_110346_1 -NCGC00260100-01 196724616 tox21-ror-cho-viability-p1 set3 4 12.2555585665 8.022196376 -0.522196376 7.5 2.3331733767 0.4332938739 0.2409386361 -8.76849698 3.62782457 1.8784756 -3.10510877 1.456018 -5.56668686 2.27820956 0.59347709 2.53283406 -0.84183956 1.28890339 -0.96240058 9.12103561 8.38540966 4.96837481 1.304E-9 2.915E-9 6.5189999999E-9 1.4579999999E-8 3.259E-8 7.288E-8 1.63E-7 3.644E-7 8.1489999999E-7 0.0000018219999999 0.0000040739999999 0.00000911 0.00002037 0.000045549999999 0.0001019 108-20-3 7914 144209749 Fns Isopropyl ether CC(C)OC(C)C Tox21_202551 -NCGC00357288-01 196724633 tox21-ror-cho-viability-p1 set3 4 -5.58916718 -6.64676354 -6.95415653 -7.54303633 -1.89020966 -3.4793475 -1.33672322 0.33416783 -1.64393528 -3.38907079 1.47486275 -1.80477025 1.51189954 -1.62368474 -5.33923112 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 193-39-5 9131 251919673 C Indeno(1,2,3-cd)pyrene c5ccc6c1cc2cccc3ccc4ccc(c1c4c23)c6c5 Tox21_304020 -NCGC00160645-02 196725047 tox21-ror-cho-viability-p1 set3 4 -1.48262723 0 -8.61839437 -2.29963808 -4.36372994 0.48465377 3.03180412 1.04450475 -2.63986383 -1.47342775 2.52036364 -7.28977346 0.1631657 4.52581097 0.12502562 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 18109-81-4 28891 170466404 A Butamirate citrate CCC(C(=O)OCCOCCN(CC)CC)c1ccccc1.O=C(O)C(O)(CC(=O)O)CC(=O)O Tox21_111952_1 -NCGC00186028-02 196725049 tox21-ror-cho-viability-p1 set3 4 0.0084126743 -14.1684209759 3 -11.1684209759 4.9549173134 0.4027525257 0.2687439174 0 0 8.47428796 0 -10.57883176 -16.24584932 -16.000996 -10.38851181 2.58963353 -15.05305783 7.80555845 -13.49517084 -16.3780227 -15.33555279 -16.80701748 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33996-58-6 59708 170464988 A Levetiracetam O=C1CCCN1C(CC)C(N)=O Tox21_112273_1 -NCGC00161636-02 196725054 tox21-ror-cho-viability-p1 set3 4 0.29588395 -0.40827357 5.01404691 -5.10239106 -0.13090404 0.24390621 -6.77130747 -7.24578551 -0.54209291 -0.06897273 -0.04147643 -6.2733745 -5.33633579 -0.75762528 -5.38720657 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2217-44-9 75194 170466267 C Iodophthalein sodium [Na+].[Na+].IC1=CC(\C=C(I)C1=O)=C(/c2cc(I)c([O-])c(I)c2)c3ccccc3C([O-])=O Tox21_112622_1 -NCGC00184983-03 196725468 tox21-ror-cho-viability-p1 set3 4 -4.76687008 0.35711534 0.75554904 0.3887005 0.21262613 -0.6767135 -1.48393744 -2.78478458 -4.19979041 -3.83165038 -2.09079534 0.11765053 -4.41258735 0.26971742 -1.45969666 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1617-90-9 15376 170466430 A Vincamine O=C(OC)[C@@]5(O)C[C@@]4(CCCN3CCc2c1ccccc1n5c2[C@@H]34)CC Tox21_111342_1 -NCGC00091759-02 196725472 tox21-ror-cho-viability-p1 set3 4 0.83156691 -13.85856419 -6.15585112 -6.38647525 -4.81528059 4.22101734 -3.94256472 -9.76574216 -0.71205814 3.61078714 3.76176734 4.44052231 1.60476061 -9.78154815 3.62534011 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00249892-01 196725864 tox21-ror-cho-viability-p1 set3 4 -0.45394823 -11.22145827 -2.86258671 -1.91313822 -6.84301655 -2.71901277 -2.44200085 3.28272598 -2.71658621 -7.76057431 3.08172565 -6.00152913 2.59988514 -6.78589582 0.28585093 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 313348-27-5 219024 170465244 A A Lexiscan CNC(=O)c1cn(nc1)c2nc(N)c3ncn(c3n2)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O Tox21_113668 -NCGC00261976-01 196725874 tox21-ror-cho-viability-p1 set3 4 8.4126743008 8.4075876679 -2.4075876679 6 3.1924983358 0.3287220981 0.3571241674 -1.8820417 2.07580606 -7.15236375 -2.40463158 -7.83965639 -0.73077334 -0.6905241 2.13127667 -5.91455889 2.5145456 -6.68437108 -0.63777503 2.30388561 5.73109732 -0.43087605 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 120081-14-3 65938 170466626 I Fns Goralatide OC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(C)=O Tox21_113896 -NCGC00016408-09 196725876 tox21-ror-cho-viability-p1 set3 4 29.8492948118 -25.646710528 -1.5 -27.146710528 0.8999999999 0.7438359988 0.0214958138 1.19680134 4.96761836 -4.00363823 -1.48106625 -4.90293286 -1.71647432 -4.19635988 -3.84518839 -1.36995337 -3.03007728 -3.53600647 -7.06992729 -7.6724308 -8.35887455 -19.28892544 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 144-83-2 5336 170464707 A Sulfapyridine O=S(=O)(Nc1ccccn1)c2ccc(N)cc2 Tox21_110426_1 -NCGC00016706-07 196725878 tox21-ror-cho-viability-p1 set3 4 6.21125518 2.04113777 -5.61192807 -8.43051927 -1.95998546 -15.81378655 -12.75473586 -9.52492805 3.20919047 -16.07866183 7.59000612 8.63421489 -1.22927328 -0.03312661 1.17726383 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14255-87-9 26596 170466402 A Parbendazole O=C(OC)Nc1nc2cc(ccc2n1)CCCC Tox21_110571_1 -NCGC00257655-01 196701722 tox21-ror-cho-viability-p1 set1 4 -17.38470582 -11.25948765 -11.91734322 -14.86716933 -14.79992138 -10.24461617 -12.58417301 -4.34544089 -10.91863782 -5.84176362 -13.54296209 -15.30866963 -11.24686988 -8.46174627 -13.01216839 1.1919999999E-9 2.6659999999E-9 5.9609999999E-9 1.333E-8 2.981E-8 6.6649999999E-8 1.49E-7 3.332E-7 7.451E-7 0.0000016659999999 0.000003726 0.0000083309999999 0.00001863 0.000041649999999 0.000093139999999 460345-16-8 2734247 144207299 A A 1-Hexyl-3-methylimidazolium trifluoromethanesulfonate FC(F)(F)S([O-])(=O)=O.C[n+]1ccn(CCCCCC)c1 Tox21_200101 -NCGC00258547-01 196702133 tox21-ror-cho-viability-p1 set1 -2.4 34.3762428541 -34.882191684 -1 -35.882191684 0.7 0.7009567391 0.0376374943 0.74460335 -1.30862562 1.43917916 -3.59377025 -5.93409399 4.22963926 1.04530418 -10.66653726 -0.92515613 -5.02619404 -14.92487833 -0.5499453 -18.16635777 -16.79060811 -26.56849307 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.0000036889999999 0.000008248 0.00001844 0.00004124 0.00009222 6112-76-1 6537489 144208192 A A 6-Mercaptopurine monohydrate O.S=C1NC=NC2N=CNC12 Tox21_200994 -NCGC00255670-01 196701307 tox21-ror-cho-viability-p1 set1 4 0.1087072248 5.2699743239 -3.7699743239 1.5 3.9294729863 0.5996027942 0.0987516086 -1.20352002 -2.06775708 -2.75894177 -3.97386057 -4.99615021 -6.89164527 1.75526961 3.1424408 0.20923517 -0.04925509 1.69161034 -0.840142 0.11372202 1.82566611 5.55371912 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74222-97-2 52997 144212160 F A Sulfometuron-methyl O=C(Nc1nc(C)cc(C)n1)NS(=O)(=O)c2ccccc2C(=O)OC Tox21_301843 -NCGC00256192-01 196701320 tox21-ror-cho-viability-p1 set1 4 -0.02979553 1.31145205 0.49860859 1.66937846 7.83297669 1.30832168 0.99347296 4.02160916 1.68220449 0.66058486 1.68291252 2.05697485 2.83809324 -0.47549981 2.65927956 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68298-46-4 91697 144212274 A A 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-amine Nc1cccc2CC(C)(C)Oc12 Tox21_301957 -NCGC00258487-01 196702144 tox21-ror-cho-viability-p1 set1 4 -9.49367864 -1.51691535 -9.76993683 -6.4115853 -3.1126111 -3.00831773 -17.46084465 -6.27639757 -8.69314318 -11.71399475 -13.86839058 -12.21399536 -14.86308605 -8.95046843 -4.73534622 1.1919999999E-9 2.6649999999E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004163 0.000093099999999 119-33-5 8391 144208131 A F 4-Methyl-2-nitrophenol O=[N+]([O-])c1cc(C)ccc1O Tox21_200933 -NCGC00258473-01 196702546 tox21-ror-cho-viability-p1 set1 4 1.87429765 2.8904458 -4.14796415 -0.58459273 0.06581708 5.80677853 1.61357377 -1.89763739 2.90852464 -4.92652659 -2.41503636 -3.00189919 -0.30691309 5.71359253 0.25121645 1.206E-9 2.697E-9 6.032E-9 1.349E-8 3.016E-8 6.744E-8 1.5079999999E-7 3.372E-7 7.54E-7 0.0000016859999999 0.00000377 0.000008429 0.00001885 0.000042149999999 0.000094239999999 617-84-5 12051 144208117 A A Diethylformamide CCN(CC)C=O Tox21_200919 -NCGC00258556-01 196702552 tox21-ror-cho-viability-p1 set1 4 60.6956566923 -16.772336696 -13.510499288 -30.282835984 0.3 0.3353207365 0.3353646069 -17.18659717 -10.4984416 -19.2382923 -15.50749963 -9.59208274 -17.22248989 -21.75611861 -12.53984342 -15.76318024 -18.1405941 -18.63045826 -21.01862291 -20.75782426 -16.19757903 -25.65236332 1.173E-9 2.622E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.3299999999E-7 0.0000016389999999 0.000003665 0.000008195 0.00001832 0.000040969999999 0.00009162 94-70-2 7203 144208201 A A 2-Ethoxyaniline CCOc1ccccc1N Tox21_201003 -NCGC00258646-01 196702557 tox21-ror-cho-viability-p1 set1 4 6.33017175 0.6276612 1.62871101 0.19797044 1.54619229 2.90378951 5.64753566 4.86622273 5.39783717 0.07393979 3.36791226 0.56127247 8.33744684 0.95591212 0.48439073 1.1529999999E-9 2.579E-9 5.766E-9 1.289E-8 2.883E-8 6.447E-8 1.4419999999E-7 3.2229999999E-7 7.2079999999E-7 0.000001612 0.000003604 0.0000080589999999 0.00001802 0.000040289999999 0.0000901 121-90-4 8495 144208292 A F 3-Nitrobenzoyl chloride O=[N+]([O-])c1cc(ccc1)C(Cl)=O Tox21_201094 -NCGC00258597-01 196702569 tox21-ror-cho-viability-p1 set1 4 1.82821202 0.96644873 1.61767084 7.81154509 -8.76646931 1.66091944 -2.08353356 7.03896279 1.03463136 2.14883467 2.22492267 -0.11429341 -0.07688352 2.51990601 -1.07226004 1.172E-9 2.621E-9 5.862E-9 1.311E-8 2.931E-8 6.554E-8 1.465E-7 3.277E-7 7.327E-7 0.0000016379999999 0.000003664 0.000008192 0.00001832 0.00004096 0.00009159 98-37-3 7385 144208242 A A 2-Amino-1-phenol-4-sulfonic acid Oc1ccc(cc1N)S(O)(=O)=O Tox21_201044 -NCGC00260330-01 196702964 tox21-ror-cho-viability-p1 set1 4 -2.0671151 -3.39741662 -3.77703826 -0.52607749 0.56030198 -5.67745154 -0.21831575 0.26041357 -0.55248799 -0.23504409 0.11054553 0.16878072 2.30256434 3.05780806 2.67688222 6.14E-11 1.373E-10 3.0699999999E-10 6.865E-10 1.5349999999E-9 3.4329999999E-9 7.6759999999E-9 1.716E-8 3.838E-8 8.5819999999E-8 1.919E-7 4.2909999999E-7 9.594E-7 0.000002145 0.0000047969999999 645-05-6 2123 144209982 A A Hexamethylmelamine CN(C)c1nc(nc(n1)N(C)C)N(C)C Tox21_202784 -NCGC00260357-01 196702971 tox21-ror-cho-viability-p1 set1 4 0.7530238 -7.11795833 -1.90882703 -0.42857582 1.36924981 -5.93000273 -3.29348869 5.59117157 -4.19193199 2.22561866 -7.24148996 0.42762364 3.6453576 2.66040719 5.24841828 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.33E-7 7.445E-7 0.000001665 0.0000037229999999 0.000008324 0.00001861 0.00004162 0.00009306 1934-75-4 4350929 144210009 A A Cyanamide,cyano-,sodium salt [Na+].N#C[N-]C#N Tox21_202811 -NCGC00091253-05 196702976 tox21-ror-cho-viability-p1 set1 4 4.1960186372 4.774348784 -2.774348784 2 4.9549173134 0.4166813558 0.2581372816 2.12510193 -0.52132341 -4.56129608 -6.62899227 0.15802164 0.01587445 -4.50175851 -4.05186297 -7.31195732 -4.46118489 -1.48447331 2.50636102 0.86936085 0.35566063 4.70063293 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00260027-01 196702985 tox21-ror-cho-viability-p1 set1 4 -5.76468897 -0.56023852 -0.93538137 -5.85054877 0.39353592 -0.07866983 0.07539855 -4.41013762 -5.45773802 0.1537134 1.94440368 0.68496157 -9.49599433 -8.90203886 -3.89650475 1.212E-9 2.71E-9 6.059E-9 1.3549999999E-8 3.03E-8 6.775E-8 1.515E-7 3.387E-7 7.5739999999E-7 0.0000016939999999 0.000003787 0.000008468 0.00001894 0.00004234 0.00009468 619-66-9 12088 144209676 A A 4-Carboxybenzaldehyde OC(=O)c1ccc(C=O)cc1 Tox21_202478 -NCGC00255988-01 196709893 tox21-ror-cho-viability-p1 set2 1.1 1.2197151236 76.6296944164 0.7689309979 77.3986254143 2.2526478767 0.9957537276 0 0.57158613 1.69414215 2.37470765 2.12894587 2.08312832 2.02877704 0.18787812 1.59600727 14.17723787 53.31351632 74.8258485 74.10178057 76.37874505 77.49856814 46.03886492 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13614-98-7 54685925 144211907 A I Minocycline hydrochloride Cl.CN(C)c2ccc(O)c1C(=O)C3=C(O)[C@]4(O)C(=O)C(=C(O)[C@@H](N(C)C)[C@@H]4C[C@@H]3Cc12)C(N)=O Tox21_301590 -NCGC00259541-01 196709478 tox21-ror-cho-viability-p1 set2 4 0.69098996 2.57757868 -1.48741642 0.32553571 -0.64965847 -0.08166656 -0.95068005 -0.47286405 0.16496932 2.84176958 1.49060126 -0.52516285 0.18624591 0.57482574 -0.53673495 1.1689999999E-9 2.6129999999E-9 5.843E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.461E-7 3.2659999999E-7 7.3029999999E-7 0.0000016329999999 0.000003652 0.0000081649999999 0.00001826 0.000040829999999 0.00009129 103-09-3 7635 144209190 A B 2-Ethylhexyl acetate O=C(C)OCC(CCCC)CC Tox21_201992 -NCGC00259392-01 196709479 tox21-ror-cho-viability-p1 set2 4 -4.02903312 -6.45106668 -7.74417505 -6.05450928 -1.84542109 -1.56974982 -3.54845602 -2.05734292 -0.51064959 -5.20361303 -0.52950636 -1.59050953 -3.48538239 -7.99192558 -7.81228049 1.159E-9 2.591E-9 5.793E-9 1.2949999999E-8 2.8969999999E-8 6.4769999999E-8 1.448E-7 3.239E-7 7.2419999999E-7 0.0000016189999999 0.0000036209999999 0.000008096 0.0000181 0.000040479999999 0.00009052 117-83-9 8345 144209041 A A Bis(2-butoxyethyl) phthalate O=C(OCCOCCCC)c1ccccc1C(=O)OCCOCCCC Tox21_201843 -NCGC00090760-08 196709890 tox21-ror-cho-viability-p1 set2 -3 68.1713220381 -53.1913149889 1.2301061219 -51.961208867 4.9549173134 0.9760218628 1.353E-7 0.19426441 1.14675142 2.95474876 1.73158351 3.36517211 -1.87999371 -0.84275946 2.20127917 -1.60162404 0.14497794 1.89758895 1.14607722 3.20905145 -0.58773806 -42.03270545 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00256225-01 196710299 tox21-ror-cho-viability-p1 set2 4 61.130564862 -14.149784448 1 -13.149784448 1.372261 0.6776625689 0.0498207981 4.09285415 -1.28887207 0.55726538 1.36953351 -0.35665183 1.14926772 1.14213048 0.78620353 0.71480815 1.58238023 -0.55656272 1.63606572 -4.61170724 -0.95896733 -9.29148704 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2449-05-0 75557 144211927 F D Dibenzyl diazene-1,2-dicarboxylate O=C(OCc1ccccc1)/N=N/C(=O)OCc2ccccc2 Tox21_301610 -NCGC00255297-01 196710304 tox21-ror-cho-viability-p1 set2 4 1.76650314 1.39747569 1.31004969 -0.2099262 0.60123058 2.16411188 -0.47576167 2.95806102 -0.19896078 1.99904792 0.96661236 1.67911457 1.23689482 -1.0175845 1.7588082 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77732-09-3 53735 144212170 A A Oxadixyl O=C2OCCN2N(C(=O)COC)c1c(C)cccc1C Tox21_301853 -NCGC00255526-01 196710311 tox21-ror-cho-viability-p1 set2 -2.1 48.5577336745 -79.6635243744 0.0772232329 -79.5863011415 1.5094870999 0.9601012369 0.000002416 -8.14715365 0.33875721 0.67504119 1.61023056 2.50480982 3.93511529 0.46180764 1.50382271 0.99493856 -3.73197367 -3.1461931 -6.99980773 -17.38716272 -28.88585074 -60.29265238 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66575-29-9 47936 144212716 A A Forskolin CC(=O)O[C@H]2[C@@H](O)[C@@H]1[C@](C)([C@@H](O)CCC1(C)C)[C@@]3(O)C(=O)C[C@](C)(C=C)O[C@]23C Tox21_302399 -NCGC00255869-01 196710710 tox21-ror-cho-viability-p1 set2 4 1.58972921 1.1601354 1.97074451 -0.7345272 -0.27761076 0.53658065 -1.3990579 2.48438036 2.86218694 0.35556102 2.37172893 3.48463885 3.1551474 2.36968389 3.26750692 8.111E-10 1.814E-9 4.055E-9 9.0679999999E-9 2.0279999999E-8 4.5339999999E-8 1.014E-7 2.267E-7 5.069E-7 0.000001133 0.000002535 0.0000056669999999 0.000012669999999 0.00002834 0.00006336 91648-24-7 73854 144211768 F Ac Pentaerythritol allyl ether C=CCOCC(COCC=C)(CO)COCC=C Tox21_301451 -NCGC00255272-01 196710726 tox21-ror-cho-viability-p1 set2 4 4.37341282 1.39045242 -0.45654218 -0.55722608 2.13344275 2.71478549 0.11068722 0.79325729 2.79179228 0.5115905 -0.81638016 -0.97593288 1.84023327 -0.68096493 2.16744928 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3547-33-9 19079 144212282 A A 2-Hydroxyethyl octyl sulfide OCCSCCCCCCCC Tox21_301965 -NCGC00255427-01 196711125 tox21-ror-cho-viability-p1 set2 4 -3.36599135 2.744749 -3.00405346 -0.78053706 -6.9972053 -9.0900746 -2.51896019 1.92398362 -2.5488444 -4.62840162 3.64977648 0.93567084 0.21715785 -0.17070159 2.29265735 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63837-33-2 4578030 144211877 A A Diofenolan CCC3OC(COc2ccc(Oc1ccccc1)cc2)CO3 Tox21_301560 -NCGC00091839-03 196711124 tox21-ror-cho-viability-p1 set2 -2.2 27.3060203028 -29.551685876 -3 -32.551685876 1.92824246 0.8280887525 0.0041538287 -7.27760687 -4.86223935 -5.07177302 -10.96171035 -2.4901213 -6.87038698 0.16571724 1.94727196 1.90555337 0.45382412 1.76848887 -5.28599715 -14.10959216 -22.14823035 -30.45973823 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00255761-01 196711133 tox21-ror-cho-viability-p1 set2 4 -5.60541413 -4.67220574 -3.5476587 -4.35486378 -3.91702846 -4.89082013 -3.95893586 -4.9845801 -3.47515788 -2.37128542 -4.99131818 0.28117263 -5.25974788 -0.48368904 -1.57549708 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2398-96-1 5510 144211680 A A Tolnaftate Cc1cc(ccc1)N(C)C(=S)Oc2ccc3ccccc3c2 Tox21_301363 -NCGC00023016-07 196723399 tox21-ror-cho-viability-p1 set3 4 0.0018833632 -48.532516237 50.7191085035 2.1865922665 0.6 0.5478347727 0.1368697292 38.62880417 33.18188921 18.04582186 17.03516391 2.87222955 12.22092936 5.18725087 28.01029339 5.10728115 3.70307414 -3.10557402 -2.00225868 7.3371285 6.09656448 16.99292918 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56796-39-5 23666711 170465052 B Cefmetazole sodium [Na+].N#CCSCC(=O)N[C@]3(OC)C(=O)N2C(=C(CSc1nnnn1C)CS[C@@H]23)C([O-])=O Tox21_110788_1 -NCGC00247725-01 196723403 tox21-ror-cho-viability-p1 set3 2.2 45.3238721797 66.9731569259 -16.2142837839 50.758873142 1.2221 0.9495842454 0.0000087951 -16.90667051 -17.94507899 -15.69058015 -13.18941464 -20.17856982 -16.38873416 -14.60059449 -18.50152376 -8.58137817 -15.94649703 -13.12560152 -5.42276482 10.88237468 15.20683997 43.58621875 1.7999999999E-9 4.0239999999E-9 8.998E-9 2.0119999999E-8 4.499E-8 1.0059999999E-7 2.25E-7 5.03E-7 0.000001125 0.000002515 0.0000056239999999 0.00001258 0.00002812 0.00006288 0.00014059999999 NOCAS_48895 60196334 144206444 B B N,N-Diethyltryptamine fumarate O=C(O)/C=C/C(=O)O.CCN(CC)CCc2cnc1ccccc12.CCN(CC)CCc2cnc1ccccc12 Tox21_112891 -NCGC00164568-04 196723003 tox21-ror-cho-viability-p1 set3 4 2.00213876 1.14599042 -1.05239683 1.17163147 1.18735227 -0.23040103 -0.37956677 -3.89188918 12.66126271 7.8002422 16.52126869 5.54756758 12.82695497 -12.77406967 6.75676545 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 151767-02-1 23663996 170465230 Ac Montelukast sodium [Na+].CC(C)(O)c5ccccc5CC[C@@H](SCC1(CC([O-])=O)CC1)c2cccc(c2)/C=C/c3ccc4ccc(Cl)cc4n3 Tox21_112197_1 -NCGC00163818-04 196723395 tox21-ror-cho-viability-p1 set3 4 4.08703805 3.8225759 -8.22663447 -0.07155842 2.41712368 -2.00417162 0 -18.78134648 -1.75776843 5.95631635 -0.29484708 -1.55641461 -6.53191243 -9.59571267 -13.87530581 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00186653-01 196723406 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -83.2243515703 1.3873911799 -81.8369603904 4.9549173134 0.9306651659 0.000048822 1.55077402 -0.28977023 1.13197247 -1.90916608 -0.56022222 0.96792439 -11.16158065 -0.69599151 0.3748799 3.46159073 9.33928084 6.59004393 2.50602231 2.75187334 -71.78680736 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 440-17-5 66064 170465265 A Fluoperazine dihydrochloride Cl.Cl.FC(F)(F)c2cc3N(CCCN1CCN(C)CC1)c4ccccc4Sc3cc2 Tox21_110017_1 -NCGC00160424-02 196723414 tox21-ror-cho-viability-p1 set3 4 -1.0501856 1.06013322 0.83421027 -2.58338086 -3.09739842 -8.44698059 -16.73078662 -7.83768145 1.45481028 2.20876246 1.42776895 -2.81460086 -7.25837897 0.30789307 -1.80092854 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5843-53-8 160796 170465619 A Clobenzorex hydrochloride Cl.Clc2ccccc2CNC(C)Cc1ccccc1 Tox21_111806_1 -NCGC00260294-01 196723825 tox21-ror-cho-viability-p1 set3 4 0.0001089505 13.5844362159 -10.0844362159 3.5 1.9673362061 0.6343455151 0.0744703232 -9.23703018 2.00132974 -0.98541633 1.02353268 7.04887869 5.36013057 3.54218077 3.59858057 0.66025249 4.63764529 5.87260425 2.80792823 0.12885112 3.20603936 4.10080283 6.648E-11 1.486E-10 3.324E-10 7.4319999999E-10 1.662E-9 3.716E-9 8.31E-9 1.8579999999E-8 4.1549999999E-8 9.291E-8 2.077E-7 4.645E-7 0.000001039 0.000002323 0.000005194 563-72-4 33005 144209944 Ethanedioic acid, calcium salt (1:1) [Ca+2].[O-]C(=O)C([O-])=O Tox21_202746 -NCGC00260117-01 196723834 tox21-ror-cho-viability-p1 set3 4 0.18843665 -7.79206466 3.15300367 -6.05862776 -3.00705362 2.84134901 0.79277248 2.18616758 2.23408202 -4.64218842 -0.73299511 0.70306485 -2.47558702 -0.67314122 -9.01204461 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.324E-8 2.96E-8 6.618E-8 1.4799999999E-7 3.309E-7 7.399E-7 0.0000016539999999 0.0000037 0.000008272 0.0000185 0.00004136 0.000092489999999 44992-01-0 162071 144209766 A 2-(Dimethylamino)ethyl acrylate methochloride [Cl-].C[N+](C)(C)CCOC(=O)C=C Tox21_202568 -NCGC00183004-01 196697658 tox21-ror-cho-viability-p1 set1 4 -2.46172501 -3.23536173 -4.81405047 1.86371825 -2.46330093 -2.40981646 2.52118687 2.46152502 -2.84963259 -2.52447525 1.2216774 0.44166012 -4.57732625 -3.11503814 -2.95282803 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 114417-20-8 23684123 144206835 Fns Fns Alilusem potassium [K+].Cc1ccccc1C(=O)N3CC/C(=N\OS([O-])(=O)=O)c2ccc(Cl)cc23 Tox21_113284 -NCGC00263558-01 196697681 tox21-ror-cho-viability-p1 set1 4 3.51325296 -0.99107537 5.13709025 0.31285782 0.81279065 0.36770028 -1.13640186 -0.35949437 -0.66214772 3.4125029 1.06502976 -1.58110686 -0.00623418 5.58054288 3.03901123 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 521-17-5 10634 170465858 F Androstenediol O[C@H]4CC[C@@]3(C)C(=CC[C@@H]1[C@@H]3CC[C@]2(C)[C@@H](O)CC[C@@H]12)C4 Tox21_112495_1 -NCGC00167523-03 196698097 tox21-ror-cho-viability-p1 set1 4 0.15059608 0.68731979 -0.11194686 2.43842942 5.68517209 3.23293713 0.19067128 7.85015106 0.46550369 0.14064511 0.17118943 2.99633536 3.01212801 7.87961073 7.17815346 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6981-18-6 23418 170465718 A Ormetoprim Nc2nc(N)ncc2Cc1cc(OC)c(OC)cc1C Tox21_112520_1 -NCGC00015519-11 196698494 tox21-ror-cho-viability-p1 set1 4 -2.03279256 0.78997171 -4.42775124 -0.1998112 -3.33166496 0.76646334 -1.54915507 -5.62786882 -2.87892255 0.11584857 -1.0282573 0.1143535 -3.38342327 -0.69956855 1.25542703 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-61-6 681 170464942 Z Dopamine hydrochloride Oc1ccc(CCN)cc1O Tox21_110167_1 -NCGC00260395-01 196724229 tox21-ror-cho-viability-p1 set3 4 0.0613171123 9.732414012 -7.732414012 2 3.5722481694 0.7543937353 0.0183215583 -13.11034501 -5.14865034 -3.76726207 -6.78676132 -8.3229596 -1.65325912 -0.2617585 2.07945974 5.25686287 1.93897672 3.87866253 -1.3312377 2.92090727 0.06453163 1.14736378 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9569999999E-8 6.613E-8 1.479E-7 3.306E-7 7.394E-7 0.0000016529999999 0.000003697 0.000008266 0.00001848 0.00004133 0.00009242 589-10-6 68526 144210047 A F Benzene,(2-bromoethoxy)- BrCCOc1ccccc1 Tox21_202849 -NCGC00260446-01 196724243 tox21-ror-cho-viability-p1 set3 -2.2 54.4272718766 -77.3175222693 1.041161929 -76.2763603403 2.0437424601 0.9328127698 0.0000413479 -5.61569638 -2.10554854 -0.91641497 1.50015506 3.92000071 5.66114902 6.39452344 6.80325924 3.6225091 -6.12728339 1.00920447 -6.16399507 -8.31435605 -23.55587061 -57.78512147 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 2243-61-0 16719 144210098 F Fns 1,4-Naphthalenediamine Nc1ccc(N)c2ccccc12 Tox21_202900 -NCGC00260095-01 196724251 tox21-ror-cho-viability-p1 set3 -2.1 60.5714923824 -87.3811625215 -0.7114663669 -88.0926288884 3.6272481694 0.9853337964 7.8E-9 -3.67307446 -0.52152027 -4.06807367 -3.14466422 -2.07999075 0.18548625 -0.33612793 1.45095376 -1.23392021 1.17008174 0.08097404 5.0747933 -1.30160119 -18.02483745 -72.03987037 1.171E-9 2.618E-9 5.854E-9 1.3089999999E-8 2.927E-8 6.545E-8 1.463E-7 3.2719999999E-7 7.317E-7 0.0000016359999999 0.0000036589999999 0.0000081809999999 0.00001829 0.0000409 0.000091469999999 67-97-0 5280795 144209744 Cc Fns Vitamin D3 C=C3CC[C@H](O)C\C3=C\C=C1/CCC[C@]2(C)[C@H](CC[C@@H]12)[C@H](C)CCCC(C)C Tox21_202546 -NCGC00024595-08 196722557 tox21-ror-cho-viability-p1 set3 2.4 29.8492948118 19.687152236 1.312847764 21 1.21 0.7315575012 0.0257306721 2.57810331 3.03967545 0 4.09174458 -1.17703894 -2.23929353 0 0 6.1625419 2.59914346 1.52038609 1.29581571 4.68308632 6.70036688 16.02449578 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77-23-6 2562 170465562 A Carbetapentane CCN(CC)CCOCCOC(=O)C1(CCCC1)c2ccccc2 Tox21_110909_1 -NCGC00263474-01 196722541 tox21-ror-cho-viability-p1 set3 2.2 10.3183374548 59.002617842 0.2097501639 59.2123680059 0.7999999999 0.8914711078 0.0004831782 3.52547132 2.2699439 1.95354548 -0.15199298 -1.29572299 0.3765753 -4.40854153 -0.33466957 -1.54246096 3.14058702 17.20981649 15.14045985 16.06962413 23.20711663 45.10404445 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 957-68-6 441328 170466731 A 7-Aminocephalosporanic acid O=C(O)C=1N2C(=O)[C@@H](N)[C@H]2SCC=1COC(C)=O Tox21_110490_1 -NCGC00255760-01 196701334 tox21-ror-cho-viability-p1 set1 4 -5.13881113 -1.33797939 -0.73465548 -1.45079274 -8.87022064 6.53801517 -2.98569739 -12.83229827 -1.83942993 4.20130398 -2.59973086 -8.90353653 -4.51097607 0.72389437 9.13143718 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63284-71-9 91683 144211568 A A Nuarimol OC(c1ccccc1Cl)(c2cncnc2)c3ccc(F)cc3 Tox21_301251 -NCGC00255576-01 196701331 tox21-ror-cho-viability-p1 set1 4 0.02005062 1.03587904 -0.59532823 0.95958935 0.37815846 0.98639746 -0.36111309 1.0004681 0.31241295 0.43355316 -0.80571693 0.87838619 -0.82234552 0.79777173 -7.97577543 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58846-77-8 62142 144212254 A A Decyl beta-D-glucopyranoside OC[C@H]1O[C@@H](OCCCCCCCCCC)[C@H](O)[C@@H](O)[C@@H]1O Tox21_301937 -NCGC00255170-01 196701338 tox21-ror-cho-viability-p1 set1 4 0.019331182 -13.3697963479 -1 -14.3697963479 4.9549173134 0.6069130336 0.0919706071 -2.78820724 -4.43069121 3.30576386 -1.77507103 -14.28861409 -12.49074915 -19.91533651 -3.22643116 -12.10696069 -9.48058904 -20.72483029 -14.54606673 -20.08889938 -12.51907933 -18.0794583 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 75-50-3 1146 144212672 Trimethylamine CN(C)C Tox21_302355 -NCGC00091775-03 196701341 tox21-ror-cho-viability-p1 set1 -2.4 30.6378586933 -27.137302148 1.5 -25.637302148 3.0654483358 0.9587926476 0.0000029049 3.35344952 1.88336665 2.35960406 0.10581245 -0.58123017 0.00432016 1.03289457 4.68781806 0.18937972 3.73969846 -0.11187078 -1.12097708 -2.12799237 -17.60794524 -24.69775179 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00256256-01 196701347 tox21-ror-cho-viability-p1 set1 4 -2.97000303 -1.70925687 -5.06811263 -4.56675316 -5.44195616 -3.10561061 -5.02190308 0.16655789 -3.72293295 0.13419667 -2.39025367 -3.89651067 0.35847029 -0.12180307 2.41922562 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7549-37-3 24191 144211936 F F 1,1-Dimethoxy-3,7-dimethylocta-2,6-diene COC(C=C(C)CC\C=C(/C)C)OC Tox21_301619 -NCGC00257855-01 196701738 tox21-ror-cho-viability-p1 set1 4 0.1242076033 4.3612863999 -3.3612863999 1 4.9549173134 0.3389170165 0.3482363845 -5.30301305 -2.1208687 -2.58095918 1.58897952 -9.051072 -2.51162417 -0.34865032 5.20370159 -1.32791885 -1.56218628 -0.04168335 1.65463006 -2.00362364 5.50034299 -1.93392995 1.198E-9 2.679E-9 5.989E-9 1.339E-8 2.995E-8 6.696E-8 1.497E-7 3.3479999999E-7 7.487E-7 0.0000016739999999 0.0000037429999999 0.000008371 0.000018719999999 0.00004185 0.00009359 18640-74-9 62725 144207499 A A 2-(2-Methylpropyl)thiazole CC(C)Cc1nccs1 Tox21_200301 -NCGC00258226-01 196701745 tox21-ror-cho-viability-p1 set1 4 -4.50068188 -7.29399239 -9.03884491 -6.04875756 -7.65737915 -9.23840151 -11.79857932 -8.75279261 -5.87670624 -7.98602653 -9.06714504 -7.54417105 -9.71532263 -5.32712008 -7.96312505 1.136E-9 2.54E-9 5.679E-9 1.27E-8 2.8389999999E-8 6.349E-8 1.4199999999E-7 3.174E-7 7.098E-7 0.0000015869999999 0.000003549 0.000007936 0.000017749999999 0.00003968 0.00008873 575-43-9 11328 144207870 A Ac 1,6-Dimethylnaphthalene Cc2cccc1cc(C)ccc12 Tox21_200672 -NCGC00258139-01 196701759 tox21-ror-cho-viability-p1 set1 4 -1.87718147 0.39294686 3.20029232 3.05853055 1.47404621 4.89870994 -1.69274299 2.41302528 6.85063535 3.74951866 3.89815149 -0.33349742 0.99829209 -0.43832777 -0.80545087 1.1919999999E-9 2.6649999999E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004163 0.000093099999999 108203-70-9 11832800 144207783 A A 1-Butyl-2,3-dimethylimidazolium iodide [I-].CCCCn1cc[n+](C)c1C Tox21_200585 -NCGC00015362-05 196725020 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -52.069822363 3.1676173475 -48.9022050155 4.9549173134 0.8259230666 0.0043808786 1.05011128 1.05223825 -2.88811467 13.53549666 -0.83260085 -2.69121098 4.90671296 9.15659316 -0.91835589 -2.98827629 0.783703 5.44426652 9.20123721 5.97458649 -43.11215639 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15639-50-6 3058739 170466518 A Safingol N[C@@H](CO)[C@@H](O)CCCCCCCCCCCCCCC Tox21_111227_1 -NCGC00260259-01 196724609 tox21-ror-cho-viability-p1 set3 4 0.0108596684 21.078519888 -12.578519888 8.5 0.2 0.3818529413 0.2897934238 -8.81543324 2.4271389 -5.89841281 -3.79530762 6.73462215 -4.51636174 3.77653349 2.45625824 0.6454745 -2.5027414 6.00347696 7.14943206 1.74831752 1.42538267 10.1326619 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.000018429999999 0.0000412 0.000092129999999 NOCAS_49390 60196396 144209909 A A 1-Methyl-1-propylpyrrolidinium trifluoromethanesulfonate C[N+]1(CCC)CCCC1.FC(F)(F)S([O-])(=O)=O Tox21_202711 -NCGC00177986-02 196725014 tox21-ror-cho-viability-p1 set3 1.2 1.635346279 53.9459528711 2.471849628 56.4178024991 1.8851180601 0.9810203892 3.51E-8 4.08527089 3.01534294 -1.83321068 2.73011624 2.55742598 -0.0446215 3.5702887 2.88721837 10.14724957 4.7435766 14.14042166 39.71089077 45.84378488 56.44976488 55.01022142 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 70458-95-6 119525 170466290 Ac Pefloxacin CN1CCN(CC1)c2cc3N(CC)C=C(C(=O)O)C(=O)c3cc2F.CS(=O)(=O)O Tox21_111458_1 -NCGC00016498-08 196725017 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -65.2637365397 6.0197493557 -59.243987184 4.9549173134 0.4900908093 0.1866800607 0 -4.98496184 1.64506023 -0.18689771 -2.30252064 0.31936864 1.0547536 1.50676005 -2.98794443 1.505548 2.69528778 50.95916661 26.56427874 3.63491949 -49.36998932 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 536-43-6 68304 170464776 A Dyclonine hydrochloride Cl.CCCCOc1ccc(cc1)C(=O)CCN2CCCCC2 Tox21_110459_1 -NCGC00249910-01 196712806 tox21-ror-cho-viability-p1 set2 1.1 1.1883218301 77.8889236146 5.396269922 83.2851935366 3.9294729863 0.9890838257 7E-9 8.30002529 6.52367524 6.97554878 6.13665263 4.46735849 5.72325916 1.8162789 6.24159108 7.2423406 17.11237689 73.42121618 86.87564877 87.85357968 73.76032098 65.58992731 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 91618-36-9 71186 170466478 A F Ibafloxacine O=C(O)C3=CN1c2c(cc(F)c(C)c2CCC1C)C3=O Tox21_113686 -NCGC00260405-01 196712381 tox21-ror-cho-viability-p1 set2 4 71.5295424631 -36.8340137199 1 -35.8340137199 4.9549173134 0.9303401407 0.5111558046 1.89160429 -0.88238006 2.20150096 3.28559338 -1.15940256 -50.49985112 1.87723662 -1.6982919 1.96958294 -1.64837313 -0.36926874 6.2191188 1.44767838 -1.76728991 -28.6116781 1.222E-9 2.733E-9 6.1119999999E-9 1.367E-8 3.056E-8 6.8339999999E-8 1.528E-7 3.417E-7 7.64E-7 0.0000017079999999 0.00000382 0.0000085419999999 0.0000191 0.000042709999999 0.000095499999999 623-39-2 92822 144210057 A A 1-O-Methylglycerol OCC(O)COC Tox21_202859 -NCGC00018221-08 196712792 tox21-ror-cho-viability-p1 set2 4 0.0021954902 -6.0567886039 4.5 -1.5567886039 3.1924983358 0.3877726199 0.2898472409 3.70562661 0.61162252 -1.05577541 -2.14054346 -7.13065717 -1.75954543 1.69941326 -0.47424104 0.03291549 -1.40747913 -1.20800771 -2.50754276 -3.35746185 -2.10935201 -1.40987608 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00159340-05 196712803 tox21-ror-cho-viability-p1 set2 1.1 0.4730794415 90.5921553594 -3.997274821 86.5948805384 0.9999999999 0.9936032075 1E-10 0.26540137 -1.64551948 -4.29872038 -3.7717295 -3.52565458 -1.91325526 4.17886432 24.07484722 34.86211663 57.59543848 65.1026888 77.15045808 81.75611882 81.59848244 89.08938327 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 89785-84-2 23663400 170465148 A Tazobactam sodium [Na+].O=S3(=O)[C@@](C)(Cn1ccnn1)[C@@H](N2C(=O)C[C@H]23)C([O-])=O Tox21_111584_1 -NCGC00024622-05 196712807 tox21-ror-cho-viability-p1 set2 4 3.20229605 0.08133456 -0.4221611 0.03107459 0.35879042 1.31868089 2.78057879 1.24325969 0.28084013 3.71026889 2.28998899 -1.89184782 4.35741389 1.38695165 1.17843762 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14663-23-1 32731 170464793 A Dantrolene sodium [Na+].[O-][N+](=O)c1ccc(cc1)c3ccc(/C=N/N2CC(=O)[N-]C2=O)o3 Tox21_112013_1 -NCGC00091468-02 196710327 tox21-ror-cho-viability-p1 set2 4 5.16171563 3.0454306 1.83115275 4.43722259 3.5816994 2.47526333 -0.8603437 3.84534325 2.12278526 0.34152119 0.2695653 -1.17580523 2.20340224 1.68279649 -0.28548273 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00255571-01 196709926 tox21-ror-cho-viability-p1 set2 4 36.1071409242 -11.472660792 2 -9.472660792 4.5044702849 0.6951955911 0.041105309 3.53707679 5.71563615 1.16260417 3.48404619 3.14514004 3.46320696 1.46332846 2.05938403 1.22442502 -1.46096791 0.5659043 0.06576842 0.3560952 -0.12943696 -8.31055066 7.6089999999E-10 1.701E-9 3.805E-9 8.507E-9 1.9019999999E-8 4.254E-8 9.512E-8 2.127E-7 4.756E-7 0.0000010629999999 0.000002378 0.000005317 0.00001189 0.000026589999999 0.00005945 3521-62-8 441371 144212546 D Erythromycin estolate O=S(=O)(O)OCCCCCCCCCCCC.CCC(=O)O[C@@H]3[C@H](C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](C)[C@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)N(C)C Tox21_302229 -NCGC00255943-01 196709927 tox21-ror-cho-viability-p1 set2 4 4.58885072 1.92977835 2.02175795 2.39125259 0.55219507 -0.0375472 0.6259075 -0.36762324 0.06275997 0.44286923 1.13159983 -0.58805126 1.15178841 1.20919941 6.54865573 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-00-9 8500 144212340 A D p-Methylacetophenone Cc1ccc(cc1)C(=O)C Tox21_302023 -NCGC00255841-01 196710323 tox21-ror-cho-viability-p1 set2 1.4 0.0015355304 15.9657628599 -14.9657628599 1 4.9549173134 0.798590437 0.008321866 -12.47146905 1.38873491 -0.04027935 0.49084581 0.29034955 1.38219476 0.3986907 1.4502136 -0.79832109 1.9180866 0.13440446 2.7947867 0.90281937 -0.51201064 6.24232342 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 947-02-4 13689 144212222 A A Phosfolan O=P(OCC)(/N=C1\SCCS1)OCC Tox21_301905 -NCGC00256171-01 196710334 tox21-ror-cho-viability-p1 set2 4 2.85507724 0.79876783 -0.01603562 1.25485439 2.91930556 -1.73927341 -2.75808982 4.65369954 -0.74356398 -2.39042976 -1.08721607 5.96180956 3.44218726 1.98152051 1.30195831 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 146653-56-7 11437710 144211539 A B 4-{2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl}benzonitrile FC(F)(F)c1cccc(c1)C(=O)Cc2ccc(C#N)cc2 Tox21_301222 -NCGC00164164-02 196710340 tox21-ror-cho-viability-p1 set2 4 0.0013685429 -9.096080584 9 -0.096080584 4.9549173134 0.4564998771 0.222380072 7.13739486 -4.24673382 1.03836952 -0.12591638 -0.22374757 -0.30443341 -0.86938008 2.32541705 -3.535342 0.83342968 0.77970925 1.47232087 0.50647835 1.98191423 -2.62675541 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00263512-01 196698526 tox21-ror-cho-viability-p1 set1 4 -4.47161046 -1.33987558 0.42520008 0.25782898 1.86174536 0.29211422 0.3404729 0.11559118 1.83140408 0.12409807 3.651259 0.45399268 1.75782996 3.21957428 3.75173674 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 17411-19-7 65684 170466202 D Dicarbine Cc3cc1c(NC2CCN(C)CC12)cc3 Tox21_111858_1 -NCGC00163843-03 196698106 tox21-ror-cho-viability-p1 set1 4 -2.20494925 -1.97461227 -1.46861345 -3.43329144 0.45785297 -2.16261329 0.20449247 -4.20197062 -1.06544686 1.24350986 0.06163133 0.18845642 -0.92389288 4.55757314 -3.63349446 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00016506-07 196698107 tox21-ror-cho-viability-p1 set1 4 0.76934796 0.08181126 0.08372321 0.01949262 -0.38281436 0.77958847 0.8891176 -0.34495762 -3.00315259 6.23768645 -1.05750866 1.16215883 -0.5576928 2.07315961 1.01403117 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 550-99-2 11957635 170464797 A Naphazoline hydrochloride Cl.c2cc(CC1=NCCN1)cc3ccccc23 Tox21_111255_1 -NCGC00263570-01 196698514 tox21-ror-cho-viability-p1 set1 4 0.41481764 -3.00441407 -1.44448476 -3.14306726 1.3117924 1.96711816 0.18565294 4.23862124 -2.31973591 -5.88945409 -2.90337825 0.11591822 1.21101786 -1.11573395 -1.77646915 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 201677-61-4 23663985 170465996 F Sivelestat sodium tetrahydrate [Na+].O.O.O.O.O=S(=O)(Nc1ccccc1C(=O)NCC([O-])=O)c2ccc(OC(=O)C(C)(C)C)cc2 Tox21_112570_1 -NCGC00094689-06 196698530 tox21-ror-cho-viability-p1 set1 4 1.32041505 4.40539901 3.65464539 2.01242563 0.53991245 3.30249447 2.51485257 3.62396685 0.13920241 1.83623251 2.80118807 -1.75528111 3.72473276 -1.70107877 1.56781204 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 93-14-1 3516 170464855 Ac Guaifenesin OCC(O)COc1ccccc1OC Tox21_110389_1 -NCGC00091439-07 196698538 tox21-ror-cho-viability-p1 set1 4 -0.18753937 0.56186573 0.58437942 0.10845881 -0.99042966 -2.45870039 -1.92023466 -0.0994036 -2.98586157 -0.69919371 -2.0633562 -2.08214643 -0.35875588 3.66226181 4.84654819 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51481-61-9 2756 170464651 I Cimetidine N#C\N=C(/NC)NCCSCc1ncnc1C Tox21_110106_1 -NCGC00253590-01 196698539 tox21-ror-cho-viability-p1 set1 4 -0.01311505 5.57193142 5.7305052 2.67667605 1.17159141 2.3354473 0.13968005 -0.50618091 -0.04929863 0.03589451 3.86709482 2.66634655 0.17876461 0.63405977 3.53948032 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 19504-77-9 5354035 170465957 F Fns Variotin O=C1CCCN1C(=O)/C=C/C=CC(\C)=C\C(O)CCCC Tox21_113727 -NCGC00254797-01 196698939 tox21-ror-cho-viability-p1 set1 4 13.6854287769 5.443827372 -0.943827372 4.5 3.1319983358 0.4006133955 0.2924060725 0.94032588 -1.22159058 0.20670637 0.50412193 -4.0502514 -1.393198 -1.31922922 -4.53652281 0.19496779 1.25268344 0.18395754 -4.11488186 5.65572389 3.24212928 0.41501355 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1610-18-0 4928 144211210 A A Prometon COc1nc(NC(C)C)nc(NC(C)C)n1 Tox21_300893 -NCGC00254273-01 196698945 tox21-ror-cho-viability-p1 set1 4 -5.45502827 -1.64373417 -1.5470665 -2.73890088 1.4458067 -1.3891884 -1.61195317 -0.0926085 -3.4165668 -1.04239486 1.74352542 -0.09650529 -2.05991958 1.88484517 2.17746572 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-61-6 6895 144210819 A Ac 1,2,3-Trichlorobenzene Clc1cccc(Cl)c1Cl Tox21_300501 -NCGC00091146-04 196698950 tox21-ror-cho-viability-p1 set1 4 21.6899429044 -13.387566688 1 -12.387566688 4.9549173134 0.8604785326 0.0016297613 1.69076602 2.16246444 0.1720481 -0.02587967 0.7715035 -0.20804597 0.26782723 -3.3332997 5.23032157 0.31347152 2.17770509 1.9759333 -3.4080502 -12.82297224 -11.24656996 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00254447-01 196698951 tox21-ror-cho-viability-p1 set1 -2.1 24.3365162115 -112.743312016 7.6073531819 -105.1359588341 0.3 0.7729577082 0.0133175182 -1.17351252 0.06212782 -0.37435045 0.48523101 -0.28701032 -4.47528868 -9.03895433 -23.98667173 -46.41425271 -31.86109988 -24.06570997 -23.9567751 -39.30835103 -42.4384936 -83.44123717 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-77-8 3117 144210721 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_300403 -NCGC00254005-01 196698952 tox21-ror-cho-viability-p1 set1 4 -9.6785008 1.88608171 2.42476461 1.47421359 -0.09510996 0.7008323 1.09900121 0.54320971 1.8798492 0.68357551 0.7707339 1.27895062 -13.86784326 0.06305892 1.83444435 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 576-26-1 11335 144210477 A A 2,6-Dimethylphenol Cc1cccc(C)c1O Tox21_300157 -NCGC00263479-01 196722622 tox21-ror-cho-viability-p1 set3 4 26.6032120037 10.1392563919 -0.6392563919 9.5 3.6272481694 0.484473876 0.1946330286 -1.70437685 2.08002763 1.40392324 -1.32384795 1.36521807 -0.84879453 -5.53271366 -0.24475645 -3.24426876 4.48583964 -2.14829626 -2.99198783 -0.53647543 2.23640911 8.0645583 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 976-71-6 13789 170466206 A Canrenone O=C5CC[C@@]3(CC[C@H]2[C@@H]4C=CC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C)O5 Tox21_111451_1 -NCGC00159396-04 196722617 tox21-ror-cho-viability-p1 set3 4 0.75678242 -26.6341575 -2.19389719 -3.64245773 -8.26442568 -3.61800659 -4.92470733 -2.14362074 1.33044212 -3.42647167 0.77693396 -1.27307371 -4.81682607 -0.97745137 3.91108954 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 635-41-6 12478 170466257 A Trimetozine O=C(c1cc(OC)c(OC)c(OC)c1)N2CCOCC2 Tox21_111634_1 -NCGC00253979-01 196698884 tox21-ror-cho-viability-p1 set1 4 0.18868243 1.3998638 -0.52673382 0.07108366 0.31635399 -0.10922241 -0.7613032 1.7258825 -0.34528314 -0.1334287 -0.37840117 0.01525946 2.04959418 -1.92930258 1.18028174 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-62-3 8063 144210381 D Pentanal CCCCC=O Tox21_300061 -NCGC00167430-04 196698465 tox21-ror-cho-viability-p1 set1 -3 29.8492948118 -59.473814934 -0.012055566 -59.4858705 4.5044702849 0.977279495 9.92E-8 0.14920253 0.37482978 -0.19352328 1.91238914 3.04899691 2.03230873 1.00644249 0.30599478 1.26795412 0.0640524 -3.37518654 -5.29354921 -0.37824763 -9.26557009 -52.07155875 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 65899-73-2 5482 170465343 A Tioconazole Clc3sccc3COC(Cn1ccnc1)c2ccc(Cl)cc2Cl Tox21_112434_1 -NCGC00015673-13 196698470 tox21-ror-cho-viability-p1 set1 4 0.0021131682 7.975161296 -5.975161296 2 4.9549173134 0.5564769498 0.1318382814 -4.1740298 -7.47930108 3.02235182 0.46888933 1.77057021 0.78716026 -0.55566407 -0.20094542 -0.19599426 0.08146049 2.06403072 4.77585596 6.73861207 0.13855231 3.81201949 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 38304-91-5 4201 170464704 A Minoxidil Nc1cc(nc(N)[n+]1[O-])N2CCCCC2 Tox21_110193_1 -NCGC00016876-12 196698479 tox21-ror-cho-viability-p1 set1 4 0.3757803576 -10.866131108 -1 -11.866131108 3.1924983358 0.9372678954 0.0000290087 -1.04243677 -2.88898249 -1.45915579 0.56581696 -0.92112214 -1.91917662 0.54129857 -0.47737596 -7.3729118 -9.83861115 -11.80176123 -11.72138156 -12.50501461 -9.93586156 -14.88844259 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54965-21-8 2082 170464897 A Albendazole O=C(OC)Nc1nc2cc(ccc2n1)SCCC Tox21_110659_1 -NCGC00254105-01 196698886 tox21-ror-cho-viability-p1 set1 4 1.74862521 2.19776304 1.55265833 1.18983702 2.32158817 1.46019266 3.06611048 4.96213671 0.58976321 5.12368386 1.71465089 0.21234599 2.82718332 0.09172218 2.38897432 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 87-62-7 6896 144210375 A A 2,6-Dimethylaniline Cc1cccc(C)c1N Tox21_300055 -NCGC00254934-01 196698888 tox21-ror-cho-viability-p1 set1 4 2.57600312 1.88865563 1.37855591 -0.17337522 -0.29057811 -0.43388086 2.85762592 1.65619334 1.324515 -3.92373319 1.03337293 1.77257137 8.69030556 1.18988842 2.19169218 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 21725-46-2 30773 144211349 A A Cyanazine Clc1nc(NCC)nc(NC(C)(C)C#N)n1 Tox21_301032 -NCGC00254970-01 196698889 tox21-ror-cho-viability-p1 set1 4 0.0015355304 12.23344562 -11.73344562 0.5 4.9549173134 0.7368542968 0.0242578582 -9.77787135 2.19283446 0.36419566 0.43053684 -0.36116836 0.21675446 0.90558078 -3.52870958 -0.51477515 0.44096903 1.97854409 0.34324434 0.76735244 3.16293315 0.51606478 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1873-88-7 6327366 144211386 FC 1,1,1,3,5,5,5-Heptamethyltrisiloxane C[Si](C)(C)O[SiH](C)O[Si](C)(C)C Tox21_301069 -NCGC00255061-01 196698894 tox21-ror-cho-viability-p1 set1 4 1.24991323 -0.7611097 -1.3113372 -0.88150639 -0.25389317 -0.43279083 -1.06199526 0.48206389 -2.25430424 -0.61803134 -0.7547701 -1.22429426 6.99184613 1.84786624 0.46469185 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 118134-30-8 86160 144211480 A Ac Spiroxamine CC(C)(C)C1CCC2(CC1)OCC(CN(CC)CCC)O2 Tox21_301163 -NCGC00254421-01 196699296 tox21-ror-cho-viability-p1 set1 4 -0.62654686 1.84967967 0.69585821 1.61756057 1.33048674 -1.0871287 2.12253331 -0.12007986 0.57250793 0.63820803 1.14375194 0.99358473 3.3351838 1.31229782 3.36883824 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47292 10198808 144210774 A A PD 0200347 Cl.NCC1(CCCCC1)CC=2NC(=O)ON=2 Tox21_300456 -NCGC00015821-10 196698073 tox21-ror-cho-viability-p1 set1 4 0.58493196 1.24078884 1.39550397 0.15835757 0.94817708 4.09666778 0.67944919 1.12613866 1.77860549 1.07583366 1.89435459 1.1953055 5.03489607 0.79267688 -1.04868951 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7491-74-9 4843 170465901 F Piracetam O=C1CCCN1CC(=O)N Tox21_110229_1 -NCGC00160653-03 196697665 tox21-ror-cho-viability-p1 set1 4 -1.79573254 -1.81264238 -4.9296392 -1.68291551 -2.92992612 0.61266962 -0.73571681 -0.8908936 -1.56162639 -4.31881188 -3.34441462 -1.30658048 -2.76136174 -2.8710185 -1.19905485 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3567-08-6 234310 170466260 A Glysobuzole O=S(=O)(Nc1nnc(CC(C)C)s1)c2ccc(OC)cc2 Tox21_111959_1 -NCGC00253585-01 196697679 tox21-ror-cho-viability-p1 set1 4 -2.6516307 -6.64331604 -6.55814436 -2.74531756 -4.62389895 -0.66290188 -1.18645521 -0.33692969 -2.25060728 -2.5902608 -0.63731662 1.70146192 2.53967478 -2.72222394 -6.82144431 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 139-62-8 10839 170465528 A A Cyclomethycaine CC3CCCCN3CCCOC(=O)c2ccc(OC1CCCCC1)cc2 Tox21_113723 -NCGC00016767-05 196698075 tox21-ror-cho-viability-p1 set1 4 2.7850921 4.90645326 0.00942401 0.01887342 1.9266243 2.4097355 2.62072199 0.06402841 1.15942966 0.01531654 -1.49373512 6.17134106 0.32740011 2.11298598 2.26287966 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 22668-01-5 3276 170466603 A Etandazole O=C(Cn1ccnc1[N+]([O-])=O)NCCO Tox21_110599_1 -NCGC00256586-01 196726683 tox21-ror-cho-viability-p1 set3 4 1.07147339 5.94449464 0.24506485 -0.79817581 -1.31468228 0.6166778 -1.29336677 -1.86634909 0.30148708 1.58755176 -0.11339332 -1.56698116 1.59553633 1.09681652 1.11525435 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 684-93-5 12699 144213167 F F N-Nitroso-N-methylurea NC(=O)N(C)N=O Tox21_302850 -NCGC00257068-01 196726677 tox21-ror-cho-viability-p1 set3 4 3.48137145 -0.11057447 1.08655643 0.69094543 0.22946885 -0.05547677 2.18183297 0.36833892 1.26724539 4.49946475 0.33722082 -0.45505395 1.0635578 2.48748365 -0.21365666 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 626-17-5 12276 144213507 A A 1,3-Benzenedicarbonitrile N#Cc1cccc(C#N)c1 Tox21_303190 -NCGC00256767-01 196726687 tox21-ror-cho-viability-p1 set3 -2.1 61.3171122755 -97.7119737524 0.5482290929 -97.1637446595 4.5044702849 0.9877449005 2.7E-9 5.61119382 -0.51457666 -0.54732526 1.93866229 1.32058148 0.39047484 -0.3319781 -0.54305777 0.17502433 2.57249115 3.92060148 -0.26264743 -5.70439714 -12.89435619 -83.90651525 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9569999999E-8 6.613E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003697 0.000008266 0.00001848 0.00004133 0.000092409999999 124-03-8 31280 144212931 A A Ethylhexadecyldimethylammonium bromide [Br-].C[N+](C)(CCCCCCCCCCCCCCCC)CC Tox21_302614 -NCGC00257278-01 196726693 tox21-ror-cho-viability-p1 set3 4 -1.51590722 -3.82275254 -1.04007178 -4.03834661 -0.95879254 -3.75905537 -0.02799796 -2.47988436 0.53317773 0 0 -3.26131672 -0.93777351 -3.06701164 3.37977536 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18328-90-0 87587 144213757 F Fns N-Ethyl-2-methyl-2-propen-1-amine C=C(C)CNCC Tox21_303447 -NCGC00257097-01 196726694 tox21-ror-cho-viability-p1 set3 4 0.04157988 -3.97360501 -5.35182683 0.81700911 1.83843678 -4.00109366 -2.41375244 2.23038548 1.05600947 3.30360852 -0.59683864 1.70933364 1.65128964 3.44605089 2.47836338 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-09-3 7635 144213635 A A 2-Ethylhexyl acetate O=C(C)OCC(CCCC)CC Tox21_303318 -NCGC00256353-01 196726696 tox21-ror-cho-viability-p1 set3 4 -1.76568949 -3.97069021 -3.94320859 -4.55319655 -2.34737366 -2.17072368 4.41993919 -24.06756299 -25.15899617 0 -1.94344681 0.39889894 -7.95301669 -15.20416735 -1.85929606 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-07-8 441140 144213322 A A Griseofulvin O=C2c3c(O[C@]12C(=CC(=O)C[C@H]1C)OC)c(Cl)c(OC)cc3OC Tox21_303005 -NCGC00257469-01 196727101 tox21-ror-cho-viability-p1 set3 4 9.48627642 0.96273099 1.75659415 -1.49854207 4.33749935 -1.80173902 -2.00850173 0.11603993 4.13910757 4.66372003 4.7039086 1.78376699 5.34773595 4.51360398 0.21274338 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.000091989999999 111-55-7 8121 144213739 F A 1,2-Ethanediol diacetate CC(=O)OCCOC(=O)C Tox21_303428 -NCGC00091595-07 196725505 tox21-ror-cho-viability-p1 set3 4 -2.76727824 -2.86919192 0.52896185 -3.45830293 2.04299992 -2.7836573 -2.16397527 1.31003374 -6.27690806 -1.15631243 -1.60714745 0.9820637 0.54890635 -1.73777023 0.77853327 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6152-33-6 517383 170465724 F Sodium 2-phenylphenate tetrahydrate [Na+].O.O.O.O.[O-]c2ccccc2c1ccccc1 Tox21_112097_1 -NCGC00260200-01 196724273 tox21-ror-cho-viability-p1 set3 -1.2 17.1238618846 -44.3517619329 -1.068221682 -45.4199836149 4.9549173134 0.9743031124 2.009E-7 -3.22333087 3.04740276 -4.10108714 0.51962065 -2.75084811 -1.16320121 -0.59242607 -3.9644617 3.82258207 -4.46702689 -0.82032601 0.28107376 -24.42816135 -46.85963475 -44.93516835 1.1739999999E-9 2.625E-9 5.871E-9 1.3129999999E-8 2.9349999999E-8 6.564E-8 1.468E-7 3.282E-7 7.338E-7 0.000001641 0.000003669 0.000008204 0.00001835 0.00004102 0.00009173 219947-96-3 24944555 144209850 A A 1-Methyl-3-octadecylimidazolium hexafluorophosphate F[P-](F)(F)(F)(F)F.C[n+]1ccn(CCCCCCCCCCCCCCCCCC)c1 Tox21_202652 -NCGC00260332-01 196724274 tox21-ror-cho-viability-p1 set3 4 -6.20883024 -3.3506338 -1.07138274 -2.84467609 -2.38526648 -1.62800622 1.04488082 -0.37147429 1.65687873 1.44526668 -0.59454988 0.6151589 0.0985439 -1.79676302 -1.94087343 1.2869999999E-9 2.8779999999E-9 6.4349999999E-9 1.439E-8 3.218E-8 7.1949999999E-8 1.609E-7 3.597E-7 8.044E-7 0.0000017989999999 0.000004022 0.0000089939999999 0.00002011 0.00004497 0.00010059999999 5632-47-3 21845 144209984 A B N-Nitrosopiperazine O=NN1CCNCC1 Tox21_202786 -NCGC00015857-09 196725107 tox21-ror-cho-viability-p1 set3 4 11.8832183006 -12.497176736 1 -11.497176736 3.0654483358 0.7823540222 0.0155811923 -0.40284526 0.87804907 -0.25946059 -1.34458308 -0.56586189 2.29375902 2.0640371 1.77856286 0.81963454 3.94465417 0.38553705 -1.61068127 -0.98453526 -11.24764728 -2.21797812 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3605-01-4 4850 170466242 A Piribedil c1cc(cc2OCOc12)CN3CCN(CC3)c4ncccn4 Tox21_110245_1 -NCGC00091163-03 196725510 tox21-ror-cho-viability-p1 set3 4 0.0038570779 -11.5458003679 11.5 -0.0458003679 0.9999999999 0.5764303851 0.1157661143 9.22544452 5.07024837 7.07385411 -0.40057434 3.29280737 0.45490981 -0.47383777 -0.65150384 -1.62339059 0.30760814 6.47690988 -0.3721009 -2.95483364 -0.48394317 0.63288694 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00070736-03 196725519 tox21-ror-cho-viability-p1 set3 4 -6.09441511 -3.56935441 -0.59067639 11.53889493 -6.12858738 -4.60629956 2.51492206 7.49509007 1.16032361 2.51208358 8.17502297 6.08847168 -0.01565781 7.32689627 -13.01224893 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 99011-02-6 57469 170464691 A Imiquimod CC(C)Cn3cnc2c(N)nc1ccccc1c23 Tox21_110985_1 -NCGC00258821-01 196706187 tox21-ror-cho-viability-p1 set1 -3 70.2670602469 -34.355079212 -4.716801016 -39.071880228 4.9549173134 0.6894540085 0.0429413883 -2.00205927 -0.59733418 -16.79289895 -14.03977764 -3.16495043 -5.95830572 -2.05785769 -1.15498256 -1.30539718 -2.81312633 -0.85298413 -3.26251242 -7.03000648 -4.79464365 -32.55990019 1.204E-9 2.693E-9 6.021E-9 1.346E-8 3.011E-8 6.732E-8 1.5049999999E-7 3.366E-7 7.527E-7 0.000001683 0.000003763 0.0000084149999999 0.00001882 0.00004208 0.00009408 101-55-3 7565 144208467 A A p-Bromodiphenyl ether Brc2ccc(Oc1ccccc1)cc2 Tox21_201269 -NCGC00260312-01 196711994 tox21-ror-cho-viability-p1 set2 4 24.3365162115 -24.6528913959 3 -21.6528913959 1.3987170999 0.4740766237 0.218765053 -8.14534109 -1.48690141 0.12264897 2.50751264 8.95682323 2.18135083 2.74504016 13.42501848 8.97493499 1.99896179 -2.11055732 -1.73637653 -4.77019006 -14.71074283 -2.54127047 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.299E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.00001844 0.00004124 0.00009222 68937-41-7 75628 144209963 F F Triisopropylated phenyl phosphate CC(C)c1ccc(cc1)OP(=O)(Oc2ccc(cc2)C(C)C)Oc3ccc(cc3)C(C)C Tox21_202765 -NCGC00357064-01 196712002 tox21-ror-cho-viability-p1 set2 4 -10.28203193 -11.26602051 -40.47833229 -9.20829229 -8.3628009 -4.47791455 -0.3998154 -46.63299292 0 0.00597688 0 -38.31264882 -35.27735864 -14.85260653 -14.48404829 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-04-6 7973 251919849 Ac 2-Bromopyridine Brc1ccccn1 Tox21_303772 -NCGC00091830-04 196712400 tox21-ror-cho-viability-p1 set2 4 6.67283515 -1.4087794 5.13115602 -0.81132411 1.36373302 2.75511548 1.71296947 1.67559989 0.68225407 2.8410635 2.61268491 -0.04715694 4.64638855 6.46620251 3.92843449 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00259612-01 196705776 tox21-ror-cho-viability-p1 set1 4 5.57555559 5.09805633 -0.27898502 3.58059253 5.56627066 -5.84596011 1.30208631 -0.78711145 3.8587385 6.716882 0.40837991 0.73312925 -5.05910833 1.07124217 -0.23561103 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 93-46-9 7142 144209261 A A N,N'-Di-2-naphthyl-p-phenylenediamine c1cc5ccccc5cc1Nc2ccc(cc2)Nc3cc4ccccc4cc3 Tox21_202063 -NCGC00259748-01 196705785 tox21-ror-cho-viability-p1 set1 4 0.0196461482 12.048074876 -14.048074876 -2 0.7999999999 0.4998752544 0.1789193733 -13.11555114 -8.1477859 -12.51255104 -13.37339573 -5.45266536 -2.16936843 -3.16738232 -4.50427207 -3.09323983 -10.4893047 5.23867174 -4.48120831 2.27157117 -4.61430417 -2.52446926 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.0000016719999999 0.0000037379999999 0.000008358 0.00001869 0.00004179 0.00009344 1596-84-5 15331 144209397 A A Daminozide O=C(NN(C)C)CCC(=O)O Tox21_202199 -NCGC00259778-01 196706184 tox21-ror-cho-viability-p1 set1 -2.2 15.4803126886 -54.7424393351 -5.18015264 -59.9225919751 1.4641 0.9181967869 0.0001158653 -13.66340209 -8.5801702 -3.80664871 -0.03533 -1.80183949 -5.33189172 -12.65272106 -8.3462435 1.55713854 0 -9.99905724 -22.50860053 -42.20879585 -43.81644743 -55.24438786 1.188E-9 2.657E-9 5.941E-9 1.3279999999E-8 2.971E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016609999999 0.000003713 0.000008303 0.00001857 0.000041509999999 0.000092829999999 10108-64-2 24633 144209427 Cadmium chloride [Cd+2].[Cl-].[Cl-] Tox21_202229 -NCGC00259859-01 196706200 tox21-ror-cho-viability-p1 set1 4 11.07582359 0.77144627 -1.90711078 -5.32512508 -1.50766924 -1.53591891 1.11843216 -1.11466436 -1.21219475 11.4732944 -1.26893023 0.49540211 6.03450675 -0.26939852 -0.18048117 1.19E-9 2.6619999999E-9 5.9519999999E-9 1.331E-8 2.976E-8 6.655E-8 1.4879999999E-7 3.3269999999E-7 7.44E-7 0.0000016639999999 0.00000372 0.000008319 0.0000186 0.00004159 0.000093 1470-79-7 73852 144209508 A A 2,4,4'-Trihydroxybenzophenone O=C(c1ccc(O)cc1O)c2ccc(O)cc2 Tox21_202310 -NCGC00258945-01 196706612 tox21-ror-cho-viability-p1 set1 4 9.35648022 -1.39831318 5.78039185 2.13294664 0.15972752 3.94646105 2.70892197 3.76419746 3.42647435 11.12473563 4.36662888 1.40535545 2.48672574 2.54005025 0.3918366 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 139-40-2 4937 144208592 A A Propazine Clc1nc(NC(C)C)nc(NC(C)C)n1 Tox21_201394 -NCGC00259111-01 196706622 tox21-ror-cho-viability-p1 set1 4 0.2830872372 8.792040512 -8.792040512 0 4.9549173134 0.492850956 0.1849623414 -15.66003376 -0.40326443 -14.96512488 -12.67419356 -2.87463941 -2.82329263 -12.41923427 -1.72460543 2.15700766 0 0.59130395 -2.20778291 0.75278334 -2.20365264 -0.36354423 1.216E-9 2.719E-9 6.079E-9 1.359E-8 3.0389999999E-8 6.796E-8 1.5199999999E-7 3.3979999999E-7 7.599E-7 0.000001699 0.000003799 0.0000084949999999 0.000018999999999 0.000042479999999 0.00009498 22781-23-3 2314 144208760 A A Bendiocarb CNC(=O)Oc1cccc2OC(C)(C)Oc12 Tox21_201562 -NCGC00259414-01 196706624 tox21-ror-cho-viability-p1 set1 4 0.04077679 4.0528571 -3.73986309 -3.28133112 -0.732022 -3.18085957 2.30490479 0.47960513 6.90201932 -0.61303758 -5.64632496 -4.31109537 -3.00132633 1.82159929 -0.24156632 1.197E-9 2.676E-9 5.983E-9 1.338E-8 2.9909999999E-8 6.689E-8 1.496E-7 3.345E-7 7.479E-7 0.0000016719999999 0.0000037389999999 0.000008361 0.000018699999999 0.00004181 0.00009348 638-38-0 12525 144209063 FC Manganese(II) acetate [Mn+2].[O-]C(C)=O.[O-]C(C)=O Tox21_201865 -NCGC00257309-01 196707017 tox21-ror-cho-viability-p1 set1 4 -6.85247843 -4.69913444 -10.98092318 -10.9348576 -11.9178664 -8.76086823 -0.92594225 -9.68088014 -16.01288542 -11.64110949 -7.24207896 -14.99839453 2.75678063 -12.13117967 -0.31902604 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7398-69-8 33286 144213672 A Dimethyldiallylammonium chloride [Cl-].C=CC[N+](C)(C)CC=C Tox21_303355 -NCGC00090986-03 196723875 tox21-ror-cho-viability-p1 set3 -3 69.008347349 -61.5361747704 -2.515964293 -64.0521390634 4.9549173134 0.9223354444 0.0000886065 -7.0206491 -2.25347548 -5.36449262 -0.81303523 2.73731034 -10.56348372 -8.06820212 0.47662734 1.82874776 -2.19488359 -0.11526586 -0.81131437 -3.80573683 -6.61211711 -52.42233259 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.000041429999999 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00256089-01 196700195 tox21-ror-cho-viability-p1 set1 4 27.3060203028 -16.597201632 -1 -17.597201632 0.3 0.3152575355 0.3689072894 -5.74750995 -1.37992843 0.65072655 -0.61546989 -4.2024852 -0.6794081 -4.90964086 0.03525344 -13.40418248 -5.68535721 -10.58795594 -0.67747205 -6.35201922 -13.83100136 -7.02990517 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-12-8 1549025 144212291 A Ac cis-3,7-Dimethyl-2,6-octadien-1-yl acetate C\C(C)=C\CCC(\C)=C/COC(C)=O Tox21_301974 -NCGC00255178-01 196700199 tox21-ror-cho-viability-p1 set1 4 -2.37829293 -6.78586021 0.87446261 -0.01581701 -0.65293175 0.49789187 -0.17316162 -5.56624773 2.44589803 -2.36813419 2.50071018 -1.99142387 1.02727963 -1.41253257 1.35852543 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-80-0 7313 144212186 A Ac 2-(Diisopropylamino)ethanol CC(C)N(CCO)C(C)C Tox21_301869 -NCGC00159380-05 196698131 tox21-ror-cho-viability-p1 set1 4 0 2.73949649 6.13412763 -0.35798355 2.24743098 0.89969052 -0.35591942 5.97731139 1.02071849 0.01575468 6.87849544 -0.31699856 1.61677821 1.45355506 2.0731976 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-36-0 7187 170464986 F Benzoyl peroxide O=C(OOC(=O)c1ccccc1)c2ccccc2 Tox21_111619_1 -NCGC00182057-03 196697712 tox21-ror-cho-viability-p1 set1 4 1.31114122 2.08718053 -0.28017862 -2.0887925 -2.17439809 -1.87120332 -1.38154218 1.63741597 -2.53429794 -6.0700403 -4.85383661 0.16545166 2.68612229 -0.39189514 2.44844988 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 90038-01-0 56031 170465639 A Detomidine hydrochloride Cl.Cc2cccc(Cc1cncn1)c2C Tox21_113020_1 -NCGC00262939-01 196697720 tox21-ror-cho-viability-p1 set1 4 -0.47857988 -2.50913311 -3.48910814 -2.25542599 -2.62017836 -5.25601043 -3.72865792 -6.51139307 -1.78012043 -0.02953565 -4.46005911 -2.58897562 -1.82632168 2.32389522 0.28081406 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6092-18-8 10357917 170465848 A F Cycotiamine O=C1OCC\C(S1)=C(/C)N(C=O)Cc2cnc(C)nc2N Tox21_113932 -NCGC00159324-04 196698132 tox21-ror-cho-viability-p1 set1 4 1.97008574 1.86194602 0.2149334 0.18857488 8.18394088 2.1320049 1.94977557 -1.37727406 -0.97299899 1.38701938 1.22660514 0.60957656 0.76406722 0.88690536 1.10579177 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118-60-5 8364 170465498 F 2-Ethylhexyl salicylate Oc1ccccc1C(=O)OCC(CC)CCCC Tox21_111573_1 -NCGC00018275-05 196698557 tox21-ror-cho-viability-p1 set1 4 1.34956758 -4.82018941 0.14832361 -0.12194676 -5.37914563 -3.67667264 -4.01568009 -3.04361948 -3.29358248 -0.72378423 0.25329036 0.27979836 1.25988733 0.20404432 2.33720088 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16773-42-5 28061 170466243 A Ornidazole Cc1ncc([N+]([O-])=O)n1CC(O)CCl Tox21_110582_1 -NCGC00091426-02 196698964 tox21-ror-cho-viability-p1 set1 4 -6.24141847 -1.82458878 -0.13126624 0.1489002 0.0032204 -0.25555902 -2.18820153 -0.93540076 0.10052969 0.34411714 1.37608076 2.17675268 2.33582471 0.26282441 0.53602168 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00254377-01 196698972 tox21-ror-cho-viability-p1 set1 4 2.59493578 -1.94558012 -1.32685853 -0.34663269 -1.11849085 2.3543451 2.94829981 1.81324861 1.22749273 2.14021662 0.71566053 -1.84411881 0.29850609 3.48800957 1.10062009 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 133-90-4 8630 144210905 A A Chloramben Clc1cc(C(=O)O)c(Cl)c(N)c1 Tox21_300588 -NCGC00255016-01 196698980 tox21-ror-cho-viability-p1 set1 4 -5.40725192 0.14615294 -2.20526705 -4.85457904 1.07479586 -1.37938765 -0.79990234 0.08940568 1.2302587 -3.44316862 -2.38650032 -8.90634559 1.73457952 -6.26781397 3.73006513 1.088E-9 2.432E-9 5.439E-9 1.216E-8 2.7189999999E-8 6.08E-8 1.36E-7 3.0399999999E-7 6.7979999999E-7 0.0000015199999999 0.000003399 0.000007601 0.000017 0.000037999999999 0.00008498 104-21-2 7695 144211433 A A 4-Methoxybenzyl acetate COc1ccc(COC(C)=O)cc1 Tox21_301116 -NCGC00254082-01 196699377 tox21-ror-cho-viability-p1 set1 -1.2 4.8557733675 -46.924458473 2.128957986 -44.795500487 0.9999999999 0.9849701714 9E-9 0.40263728 3.5735048 -1.35123546 1.41372559 3.59164001 -0.22925227 3.93234783 -0.14290526 -2.34291968 -12.06235619 -20.95892566 -27.15645205 -31.94558284 -40.24728166 -43.48849245 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 154-42-7 2723601 144210595 A A 6-Thioguanine NC2=Nc1ncnc1C(=S)N2 Tox21_300275 -NCGC00254364-01 196699387 tox21-ror-cho-viability-p1 set1 -2.2 54.4826732819 -59.7153294757 1.0915744309 -58.6237550448 1.752947691 0.9747679216 1.812E-7 4.67232005 0.34192193 4.1954417 1.08967231 0.51864191 -1.09872565 1.14847541 -1.39704182 1.30658519 0.91426973 -1.02700189 0.17501815 -9.56821365 -20.06840315 -44.41193564 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 510-15-6 10522 144210911 A A Chlorobenzilate OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(=O)OCC Tox21_300594 -NCGC00256262-01 196700136 tox21-ror-cho-viability-p1 set1 4 0.809198 0.81397988 3.23547176 0.0318277 1.31373794 0.72532245 1.62100337 -3.19979983 -3.40528209 1.27216251 -3.38698701 -3.27880384 0.82350459 1.1341197 1.89887548 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-19-5 67329 144211619 A A Bis(2-butoxyethyl) decanedioate O=C(OCCOCCCC)CCCCCCCCC(=O)OCCOCCCC Tox21_301302 -NCGC00255434-01 196700126 tox21-ror-cho-viability-p1 set1 4 1.85875914 -2.71485194 -3.24263589 0.72291162 -1.42185283 -0.2429689 0.5157187 0.45228584 -3.31353707 -0.15259989 4.93160083 2.56475374 -4.11636949 6.32849873 0.87382659 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2760-98-7 72700 144211777 A C 1,3-Benzenedicarboxylic acid, dihydrazide O=C(NN)c1cccc(c1)C(=O)NN Tox21_301460 -NCGC00255876-01 196700127 tox21-ror-cho-viability-p1 set1 4 0.52343032 0.78012321 0.95019084 0.6113737 6.45133828 -0.29075571 2.39597725 5.0538694 2.29511195 -4.65643095 0.62007094 2.35899508 -0.19255646 4.69844458 5.8920093 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5116-94-9 82161 144212283 F F Monotridecyl phosphate OP(O)(=O)OCCCCCCCCCCCCC Tox21_301966 -NCGC00255885-01 196700133 tox21-ror-cho-viability-p1 set1 4 4.47039204 2.43279437 -0.60724966 2.74096392 2.21748601 -0.08748129 -1.46206614 0.00449319 -0.03235848 1.82157496 4.50321683 0.05077281 2.5655136 -0.38869743 1.82184798 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 1643-19-2 74236 144212466 A A Tetrabutylammonium bromide [Br-].CCCC[N+](CCCC)(CCCC)CCCC Tox21_302149 -NCGC00256206-01 196700138 tox21-ror-cho-viability-p1 set1 4 1.38229677 0.59850547 0.96118914 2.54613036 0.87464759 7.15638178 -0.96961159 6.83579716 -1.0441564 2.84233574 0.35242435 -0.84635848 -2.26790066 0.76272694 0.1362599 1.009E-9 2.2549999999E-9 5.0429999999E-9 1.1279999999E-8 2.5219999999E-8 5.639E-8 1.2609999999E-7 2.8189999999E-7 6.3039999999E-7 0.0000014099999999 0.000003152 0.000007048 0.000015759999999 0.00003524 0.000078799999999 39430-51-8 11284883 144211719 Ac Chromium acetate, basic O=C(C)O[Cr](OC(C)=O)OC(=O)C.CC(=O)O[Cr](O)OC(C)=O.CC(=O)O[Cr](O)OC(C)=O Tox21_301402 -NCGC00254947-01 196699345 tox21-ror-cho-viability-p1 set1 4 0.2801407 0.68026297 -0.35063948 1.01255691 -2.51790934 0.94532854 0.57259505 -2.50382581 -1.11595362 0.68628572 1.27044562 -1.13225035 -1.46668135 0.82633293 0.28144234 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131-11-3 8554 144211362 A A Dimethyl phthalate COC(=O)c1ccccc1C(=O)OC Tox21_301045 -NCGC00254030-01 196699320 tox21-ror-cho-viability-p1 set1 -1.1 2.4336516212 -62.4384362498 -0.271254899 -62.7096911488 4.0949729863 0.9740817836 2.108E-7 0.61361685 -0.3777299 1.31648377 -1.72303734 1.26307449 0.1851687 -2.09939063 0.51099567 2.18162071 -14.07226802 -51.42930114 -70.53092828 -68.23965469 -49.06984486 -63.33588456 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1034-01-1 61253 144210592 A A Octyl gallate Oc1cc(cc(O)c1O)C(=O)OCCCCCCCC Tox21_300272 -NCGC00254695-01 196699325 tox21-ror-cho-viability-p1 set1 4 0.27297457 0.20747999 1.1514679 0.3701854 -0.48525112 1.1646069 1.61779175 0.01724766 2.29616228 2.3109945 0.0348487 0.76923772 -0.90486752 1.41042825 3.83893276 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1194-65-6 3031 144211108 F Dichlobenil N#Cc1c(Cl)cccc1Cl Tox21_300791 -NCGC00090701-06 196699335 tox21-ror-cho-viability-p1 set1 4 3.21174746 3.89634177 -1.45554227 3.05075507 4.04120885 2.98069739 3.90566563 3.01269328 3.18878768 -0.17184596 0.08580058 4.84525371 6.53475781 -0.72208286 -0.12403945 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00253957-01 196699739 tox21-ror-cho-viability-p1 set1 4 -1.77730287 -1.63024618 -1.83744606 -0.65694645 1.05445631 -1.02680163 2.66422127 -1.79151969 -0.82848397 -2.13205158 3.89986798 1.52275904 2.92638373 2.2814855 -9.9738655 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-44-1 643460 144210502 B Sorbic acid C\C=C\C=C\C(=O)O Tox21_300182 -NCGC00254262-01 196699737 tox21-ror-cho-viability-p1 set1 4 -0.05708764 3.70483786 1.65054119 0.5032832 0.11243994 -7.3410394 -2.59704691 0.07743089 0.26767234 -0.24036726 0.05487292 1.08467653 0.5404635 -4.00874688 4.00276643 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1445-75-6 3073 144210792 A Ac Diisopropyl methylphosphonate CP(=O)(OC(C)C)OC(C)C Tox21_300474 -NCGC00254333-01 196699748 tox21-ror-cho-viability-p1 set1 4 -3.956628 7.08967734 0.37440432 -0.24982055 -4.04622396 -0.752879 -0.41865184 -3.22077906 -0.72984142 2.11172409 1.23847126 -0.33282432 2.4471737 -3.73082278 -4.30662684 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24602-86-6 32518 144210908 F Tridemorph CC1CN(CCCCCCCCCCCCC)CC(C)O1 Tox21_300591 -NCGC00254878-01 196699752 tox21-ror-cho-viability-p1 set1 4 -5.90242211 -0.53801244 -0.04408245 0.46244182 -0.18249982 -0.37722533 0.26004226 0.89887458 -3.56277158 -3.55399559 0.12488212 0.22367901 0.72150456 0.54548875 1.29006516 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1772-25-4 15678 144211293 A A 1,3,6-Hexanetricarbonitrile N#CCCCC(CCC#N)C#N Tox21_300976 -NCGC00257061-01 196727528 tox21-ror-cho-viability-p1 set3 4 -0.54820336 -1.18921699 -0.42820766 0.18435386 3.7707152 1.43664978 1.30281879 3.66025749 7.08980996 6.78190904 3.07403855 1.98890691 -0.80701673 2.80246485 7.02938331 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 464-49-3 159055 144213369 A A D-Camphor CC2(C)[C@H]1CC(=O)[C@]2(C)CC1 Tox21_303052 -NCGC00255702-01 196727948 tox21-ror-cho-viability-p1 set3 4 4.8557733675 12.317748704 -2.817748704 9.5 4.9549173134 0.4359292146 0.254278968 -0.31509474 -8.59812392 -5.19508395 -8.13199441 -2.34653456 -1.60582447 9.00550095 -2.90719759 0.73665552 -8.5172275 -4.67776053 19.48687393 5.1904884 4.27807704 -7.35592583 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16118-49-3 27689 144211879 A A Carbetamide CCNC(=O)C(C)OC(=O)Nc1ccccc1 Tox21_301562 -NCGC00255826-01 196727949 tox21-ror-cho-viability-p1 set3 4 0.57622618 -7.65629785 3.97151879 0.37293491 -4.78552646 -0.55659936 0.77897558 0.44681857 4.97941024 0.62348535 1.40977071 -10.06199892 -1.05003943 -0.95362105 -1.30589144 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80443-63-6 94684 144211856 A A 2-(2-(4-Chlorophenyl)ethyl)-2-(1,1-dimethylethyl)oxirane CC(C)(C)C2(CCc1ccc(Cl)cc1)CO2 Tox21_301539 -NCGC00256078-01 196728342 tox21-ror-cho-viability-p1 set3 4 5.4427271877 -10.501342892 3 -7.501342892 3.5117481694 0.581205089 0.1109946477 -1.60062045 -0.53473674 5.09527577 5.39071651 -2.26116126 -0.68482333 -2.05861192 9.20456038 8.0002914 8.38734594 -0.1546276 -5.08562578 -6.85699373 -8.33445241 -8.07965535 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 1189-08-8 70916 144211924 A A 1,3-Butyleneglycol dimethacrylate O=C(OC(C)CCOC(=O)C(=C)C)C(=C)C Tox21_301607 -NCGC00164077-02 196726340 tox21-ror-cho-viability-p1 set3 -2.4 68.5896218971 -35.196690772 1.5 -33.696690772 3.2974983358 0.8615360617 0.0015613048 3.666208 2.21997793 -0.11590025 0 1.88554435 4.94709216 5.18973022 -3.34573098 -2.54890613 5.24469653 -0.34342518 2.65671965 -1.98132799 -4.15084814 -24.74724231 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00164595-02 196725935 tox21-ror-cho-viability-p1 set3 4 -12.28242963 6.63429462 -9.43451811 -3.27391685 -4.39409535 -7.33896438 -4.53137068 -3.31525691 -2.0603104 -3.28283818 -4.93300234 -0.0074601 -1.55199374 -2.41277098 4.32908354 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83480-29-9 444020 170465993 Z Voglibose O[C@H]1[C@@H](NC(CO)CO)C[C@](O)(CO)[C@@H](O)[C@@H]1O Tox21_112220_1 -NCGC00090702-02 196725936 tox21-ror-cho-viability-p1 set3 4 0 0 -0.81401939 -2.38958311 4.62393284 1.57108583 0.22605711 -5.33711094 0.84636154 0.42536168 0.44015865 2.94820599 -1.06638383 -1.36233978 -3.68800349 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00159437-03 196725937 tox21-ror-cho-viability-p1 set3 1.2 0.5955717307 48.4655823629 2.75522667 51.2208090329 1.4641 0.9552862356 0.0000045446 -0.16941461 0.00252529 2.48594501 0.69806529 0 13.68397829 0 16.95897557 14.65101034 30.76637182 46.14589721 55.24534337 48.81052582 48.12534424 49.41732188 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1215-83-4 92876 170466051 A Clobutinol hydrochloride Cl.Clc1ccc(CC(C)(O)C(C)CN(C)C)cc1 Tox21_111667_1 -NCGC00181016-04 196726343 tox21-ror-cho-viability-p1 set3 4 33.4914596268 -30.3894861239 -0.5 -30.8894861239 4.9549173134 0.651689777 0.0630275763 0.81221395 -1.00496839 8.10934393 -1.1512135 -1.28903674 -0.09338251 -0.85023968 -3.96584411 -9.78411689 -5.06764953 -0.55666715 -1.79268304 -0.496133 9.65740877 -29.07457177 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 153559-49-0 82146 170465308 A Bexarotene O=C(O)c1ccc(cc1)C(=C)c2cc3c(cc2C)C(C)(C)CCC3(C)C Tox21_112666_1 -NCGC00094532-06 196726344 tox21-ror-cho-viability-p1 set3 4 -2.83933421 -1.39410145 0.17274417 1.82570478 3.63399694 -0.32544714 0.84825915 8.59569511 -0.8919469 -3.29286296 4.83409654 -1.3063634 3.20588171 3.98944236 -4.76611084 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00163927-04 196726349 tox21-ror-cho-viability-p1 set3 4 4.83772746 2.35916311 0.71509358 3.58231872 2.76359469 -0.37849744 0.28891027 -0.23893107 3.24032231 -4.79272327 0.51491759 3.00559698 -3.52334639 -0.45840869 2.62371698 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00262539-03 196726354 tox21-ror-cho-viability-p1 set3 4 29.8492948118 -16.8913850199 1.5 -15.3913850199 4.5044702849 0.6422479665 0.0691586465 0 0 0.32253273 0.11111895 5.64911686 -2.49823065 4.4242047 4.99574979 -3.80221707 0.73104952 3.54672174 5.7733504 0.36733202 -0.90864991 -13.24282085 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 315-22-0 9415 170466813 I Monocrotaline O=C1OCC3=CCN2CC[C@@H](OC(=O)[C@H](C)[C@@](C)(O)[C@@]1(C)O)[C@H]23 Tox21_112094_1 -NCGC00164077-02 196713252 tox21-ror-cho-viability-p1 set2 4 -5.150602 -5.97520122 0.382131 -0.61456731 -0.02712889 -3.2439518 -3.83824647 0.01638353 0.13081472 -0.28790805 -0.70162246 -0.2164813 -0.47683616 0.87372828 -8.65038001 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00021122-08 196713233 tox21-ror-cho-viability-p1 set2 4 -2.82085332 -3.79085749 -3.26191563 0.77124228 0.19918138 -2.68028035 -0.49468829 -0.50867027 -2.69462013 0.25110405 0.4710984 1.60299978 1.05178952 -0.43209017 1.19559379 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5560-59-8 21718 170466248 A Alverine citrate O=C(O)C(O)(CC(=O)O)CC(=O)O.CCN(CCCc1ccccc1)CCCc2ccccc2 Tox21_110757_1 -NCGC00164629-02 196713241 tox21-ror-cho-viability-p1 set2 4 -4.14486523 -4.20650349 -1.62755522 -3.5658376 -2.26327042 2.14867441 -5.82032123 0.47462266 1.36361414 0.25349891 -3.84013191 0.92421271 -3.28024721 -7.25589516 -2.63021144 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26750-81-2 71916 170466533 A Alibendol Oc1c(cc(cc1OC)CC=C)C(=O)NCCO Tox21_112247_1 -NCGC00090702-02 196713251 tox21-ror-cho-viability-p1 set2 4 0.7695882154 -12.439407888 5 -7.439407888 0.6999999999 0.925307317 0.0001501494 2.90810785 6.02350053 4.80878099 6.22285387 4.76898985 2.24048007 0.18304198 1.3133363 -0.55599028 -2.41715701 -4.37535764 -7.86617324 -5.23394968 -6.53081316 0.20580352 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00259688-01 196708690 tox21-ror-cho-viability-p1 set2 -2.4 30.7625294801 -28.0227397919 -1.5 -29.5227397919 2.9522712143 0.9279920827 0.0000598201 -3.23306535 -4.30947234 -4.42422809 -2.11931652 2.33725112 -2.72979173 2.16909266 0.51169723 -2.85054644 -3.89533636 1.72365661 0.11465124 -7.47536721 -20.87111605 -29.60228316 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.397E-7 0.0000016539999999 0.0000036989999999 0.0000082699999999 0.000018489999999 0.00004135 0.00009247 6459-94-5 5479172 144209337 Z Z C.I. Acid Red 114 [Na+].[Na+].[O-]S(=O)(=O)c5cc(cc6ccc(O)c(/N=N/c1ccc(cc1C)c4ccc(/N=N/c3ccc(OS(=O)(=O)c2ccc(C)cc2)cc3)c(C)c4)c56)S([O-])(=O)=O Tox21_202139 -NCGC00256628-01 196707858 tox21-ror-cho-viability-p1 set1 4 -2.24926604 -10.24809357 -4.12105175 -1.99336952 -3.27497965 -7.95685913 -3.12202164 -0.86763102 0.30738836 -0.56128301 -6.00714378 -5.84257557 -1.50759002 -4.21956459 -4.68342275 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17102-64-6 641256 144212865 Fns (2E,4E)-Hexa-2,4-dien-1-ol C\C=C\C=C\CO Tox21_302548 -NCGC00257273-01 196708279 tox21-ror-cho-viability-p1 set1 4 0.0076958822 -11.100154292 -4 -15.100154292 4.9549173134 0.3627038568 0.3076458488 1.19784248 -13.65033166 -1.4572593 -22.58346191 -15.15623458 -11.88558635 -5.7977893 -12.96774184 -19.66576232 -17.43027913 -16.28546851 -20.68676636 -10.28193861 -11.52835483 -16.29268926 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131-16-8 8559 144213692 A A Dipropyl phthalate O=C(OCCC)c1ccccc1C(=O)OCCC Tox21_303379 -NCGC00090858-02 196708680 tox21-ror-cho-viability-p1 set2 4 -1.4067855 -1.5214336 2.13331204 -1.04098024 3.8915081 3.44670386 1.46833161 1.24854631 -1.50333231 1.19298621 0.46208849 -1.16822999 3.05660389 -1.73689578 1.78131301 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00258964-01 196708699 tox21-ror-cho-viability-p1 set2 4 3.40075868 1.59358108 2.3918245 3.77212809 2.1476733 1.89533341 1.34574703 1.12269364 -0.565292 -0.54619022 2.01823648 0.68581801 5.31126088 1.12005801 1.53435615 1.189E-9 2.6589999999E-9 5.945E-9 1.3289999999E-8 2.9719999999E-8 6.647E-8 1.486E-7 3.323E-7 7.4309999999E-7 0.000001662 0.000003716 0.0000083079999999 0.000018579999999 0.00004154 0.00009289 23950-58-5 32154 144208611 A A Propyzamide Clc1cc(cc(Cl)c1)C(=O)NC(C)(C)C#C Tox21_201413 -NCGC00164449-04 196709096 tox21-ror-cho-viability-p1 set2 4 0.0136854288 3.917339192 -1.917339192 2 4.4494702849 0.4125401781 0.2643435075 0.07876777 0.00166674 -6.59778266 0.30656572 2.22290255 3.1859859 1.15774187 -0.9925623 2.97361754 1.08006366 1.62292993 -0.05095323 4.22261854 2.75969395 4.83661974 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00258831-01 196709110 tox21-ror-cho-viability-p1 set2 4 -1.43490983 -4.83784854 2.15646935 -0.47660546 -1.26064408 -3.16103667 -2.46424277 -0.22938332 -2.52550587 -3.01891107 -1.85855073 -1.64079223 -2.75323534 2.38356595 -2.72424956 1.1449999999E-9 2.5609999999E-9 5.725E-9 1.28E-8 2.863E-8 6.4009999999E-8 1.431E-7 3.2009999999E-7 7.157E-7 0.0000016 0.000003578 0.000008002 0.00001789 0.00004001 0.000089459999999 124-07-2 379 144208477 A A Octanoic acid O=C(O)CCCCCCC Tox21_201279 -NCGC00259852-01 196709112 tox21-ror-cho-viability-p1 set2 4 4.10344598 1.56723588 1.20405594 1.60465567 0.59043087 -0.48763081 0.86490562 0.54104081 -1.90489185 4.02690522 3.70955699 2.46936536 2.81561627 -0.78318018 -4.15604198 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3839999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004128 0.00009229 298-00-0 4130 144209501 D Methyl parathion S=P(Oc1ccc(cc1)[N+]([O-])=O)(OC)OC Tox21_202303 -NCGC00247694-01 196705115 tox21-ror-cho-viability-p1 set1 4 2.93020073 1.7905189 1.36160013 0.04838063 0.53578675 -0.88206196 -0.09035514 -0.40663075 0.56979374 2.13277607 0.62862768 0.5205305 -0.58415974 -2.16092517 1.14489696 1.315E-9 2.941E-9 6.577E-9 1.471E-8 3.288E-8 7.353E-8 1.644E-7 3.677E-7 8.221E-7 0.000001838 0.0000041109999999 0.000009192 0.00002055 0.00004596 0.00010279999999 117332-94-2 60196322 144206397 A A N-[1-[1-Methyl-2-(2-thienyl)ethyl]-4-piperidyl]-N-phenylpropanamide hydrochloride Cl.CCC(=O)N(c1ccccc1)C2CCN(CC2)C(C)Cc3cccs3 Tox21_112844 -NCGC00255673-01 196728709 tox21-ror-cho-viability-p1 set3 4 1.30589461 -2.25754268 -1.20753548 7.79336208 -7.19769796 10.78054625 -2.77798508 0.46956659 -6.41424367 -6.19129002 -11.53843806 -4.50746266 16.18721037 -6.21347046 7.93056063 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26259-45-0 33443 144211736 A A Secbumeton COc1nc(NCC)nc(NC(C)CC)n1 Tox21_301419 -NCGC00256179-01 196728714 tox21-ror-cho-viability-p1 set3 4 -2.22839518 2.14487496 -2.90175686 10.61620545 -0.11998278 3.20020102 1.46176619 5.58002672 4.30979608 5.55741787 8.06856306 0.76619745 1.03582593 -0.75078906 1.02454196 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 873-94-9 13398 144212044 F Fns 3,3,5-Trimethylcyclohexanone CC1CC(=O)CC(C)(C)C1 Tox21_301727 -NCGC00255828-01 196729129 tox21-ror-cho-viability-p1 set3 4 0.19426083 2.05698067 0.25923303 -1.38302153 -0.62753477 0.35108666 0.38056966 -4.58127681 4.09687372 2.48113691 2.42974857 -5.36310696 -0.86311035 -2.89227754 0.00114459 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 28730-17-8 34313 144211649 A A Methfuroxam Cc2c(C)oc(C)c2C(=O)Nc1ccccc1 Tox21_301332 -NCGC00160398-05 196705102 tox21-ror-cho-viability-p1 set1 4 -0.83322092 3.83521264 -1.59884204 -3.3286092 -2.18974798 0.27736203 -0.82881296 -0.07040281 -0.2595503 -0.70320207 0.51570497 0.48664284 3.61014778 3.30378324 5.0669581 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82956-11-4 9868041 170465855 A Nafamostat mesilate CS(=O)(=O)O.N=C(N)Nc1ccc(cc1)C(=O)Oc2ccc3cc(ccc3c2)C(=N)N Tox21_111787_1 -NCGC00247682-01 196705104 tox21-ror-cho-viability-p1 set1 -2.4 77.6120746632 -30.4838083119 -1.5 -31.9838083119 3.2474983358 0.891432192 0.0004879365 -1.88441597 -0.99326545 0.28425978 -2.80562614 -0.70085655 -1.87391518 -0.31149435 -1.54873395 -4.803981 1.16998548 0.52402805 -4.06612117 -5.90840081 -5.11964753 -23.31984026 1.3079999999E-9 2.924E-9 6.5389999999E-9 1.4619999999E-8 3.269E-8 7.31E-8 1.635E-7 3.655E-7 8.173E-7 0.000001828 0.0000040869999999 0.000009138 0.00002043 0.00004569 0.0001022 55096-75-8 60196314 144206384 A A L-alpha-Acetyl-N-normethadol hydrochloride Cl.C[C@@H](NC)CC(c1ccccc1)(c2ccccc2)[C@@H](OC(C)=O)CC Tox21_112831 -NCGC00179273-03 196705106 tox21-ror-cho-viability-p1 set1 4 0.026603212 -6.2664368279 4.5 -1.7664368279 1.17051 0.4515566283 0.2246238687 5.39720021 3.80391528 3.51443668 3.08443073 3.36397171 -0.91985817 3.36624091 -0.95818544 -7.72203069 -3.86307145 1.96242378 -0.64871086 3.15739508 -1.94230529 -4.38391908 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 49697-38-3 16051942 170464695 F Rimexolone O=C(OC)[C@@]4(C)[C@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_110650_1 -NCGC00160678-03 196705508 tox21-ror-cho-viability-p1 set1 4 1.13017033 1.36312832 7.20668736 5.02891374 0.42711227 5.07113636 0.47417732 6.91211289 -1.23820306 7.0388896 0.95231111 6.62820618 7.00343619 0.58182693 -1.47762607 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 37561-27-6 72098 170466194 A Fenoverine O=C(CN3CCN(Cc1ccc2OCOc2c1)CC3)N4c6ccccc6Sc5ccccc45 Tox21_111981_1 -NCGC00091011-05 196705509 tox21-ror-cho-viability-p1 set1 4 0.31763111 -1.10590092 0.82316178 2.32164599 2.2333815 -0.9870872 -8.8293669 1.50936846 -0.21287063 -0.50470768 -0.51212147 -0.13877333 1.95808962 -1.20179459 0.80022514 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00160483-02 196705519 tox21-ror-cho-viability-p1 set1 -2.4 23.7101376556 -28.367186284 -0.5 -28.867186284 3.0654483358 0.9549145933 0.0000047906 -0.59244819 0.20332684 -0.72162408 -0.44891041 -1.19198919 0.57714047 -2.48005256 -1.09576591 0.82834633 2.99055418 -0.86223873 -3.12750611 -0.08505696 -12.8796635 -25.30598857 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33414-30-1 969494 170466222 D Ftormetazine CN1CCN(CC1)CCC(=O)N2c4ccccc4Sc3ccc(cc23)C(F)(F)F Tox21_111845_1 -NCGC00249901-01 196705528 tox21-ror-cho-viability-p1 set1 4 2.55514204 -0.09328083 0.52851958 -0.73038515 -4.89902509 -2.86511763 -0.05563175 -3.02726412 1.16694757 -0.2182041 -5.18979935 2.66216201 -2.80902995 0.09217995 2.06808981 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63906-52-5 23684827 170465517 F A Thiocyanoacetic acid sodium salt [Na+].[O-]C(=O)CSC#N Tox21_113677 -NCGC00247675-01 196705533 tox21-ror-cho-viability-p1 set1 4 -1.98551279 -4.15939691 -8.90222846 -1.18092754 -2.20064173 -6.47094622 1.40400513 -4.30367246 -4.55044931 -3.71043171 -0.81531793 -6.45565931 -4.84023822 -3.18919536 -4.19406032 1.386E-9 3.0999999999E-9 6.9309999999E-9 1.55E-8 3.4649999999E-8 7.749E-8 1.733E-7 3.874E-7 8.6639999999E-7 0.000001937 0.0000043319999999 0.000009686 0.00002166 0.000048429999999 0.00010829999999 5688-80-2 60196310 144206376 A A 3,4,5-Trimethoxyamphetamine hydrochloride Cl.COc1c(cc(cc1OC)CC(C)C)OC Tox21_112823 -NCGC00257482-01 196727669 tox21-ror-cho-viability-p1 set3 4 -1.16541007 2.09470668 1.37339259 -1.64411435 -5.55327959 -2.39289835 -2.47485679 -1.6211402 -0.33471025 -1.56778723 -1.89215464 -3.9739758 -3.41903869 -1.1918654 0.67164861 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2530-85-0 17318 144213668 F Bc 3-(Trimethoxysilyl)propyl methacrylate CO[Si](CCCOC(=O)C(=C)C)(OC)OC Tox21_303351 -NCGC00256876-01 196727260 tox21-ror-cho-viability-p1 set3 -2.2 54.4826732819 -54.8894966406 -1.040961269 -55.9304579096 2.1210667061 0.9498557977 0.0000085526 -1.10887796 0.51022566 -0.30115755 1.20716782 1.23234565 0.28423128 -6.32206383 -1.47643759 -0.49999701 0.28027866 2.28047791 -7.3706577 -7.59754214 -17.89439194 -43.12913478 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 63449-68-3 62217 144212877 A A Naphthalen-2-yl 2-aminobenzoate Nc1ccccc1C(=O)Oc2ccc3ccccc3c2 Tox21_302560 -NCGC00257031-01 196727264 tox21-ror-cho-viability-p1 set3 4 2.20897091 2.54518506 2.81633221 5.56200107 0.04928121 3.84589064 5.96418366 3.21145025 5.96973194 3.26056258 -16.47004505 0.4113492 2.11184896 3.640638 -1.93209085 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-02-9 6796 144213505 A A Benzo(f)quinoline c2cc1ncccc1c3ccccc23 Tox21_303188 -NCGC00163906-02 196727270 tox21-ror-cho-viability-p1 set3 4 0.0043277126 -7.2867741 3.5 -3.7867741 4.9549173134 0.4371345816 0.2384343407 -0.14478623 6.64939411 -3.75007002 -2.93683546 -3.42956855 -1.38441622 -1.5374318 -9.82231175 -5.43937056 -4.22177201 0.16447511 -4.94191773 -3.3952684 -6.43638328 -2.4421338 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00256464-01 196727677 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -23.829114556 0.5 -23.329114556 4.9549173134 0.8396031511 0.0030748419 1.81347618 -6.22176792 -0.92083451 1.74075854 1.01515332 -0.0831141 2.09744524 2.45911524 1.38914843 0.04429858 2.71917443 -0.83594857 -0.64962835 -0.75258598 -19.02426213 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 305-03-3 2708 144213313 A Fns Chlorambucil O=C(O)CCCc1ccc(cc1)N(CCCl)CCCl Tox21_302996 -NCGC00257315-01 196727681 tox21-ror-cho-viability-p1 set3 4 54.2057602633 11.4827205479 -0.9827205479 10.5 3.2974983358 0.4074281338 0.2662759285 -1.08258002 0.00213647 0.07885713 0.01340239 0.3188484 -0.48657597 -12.06893379 0.486437 0 0 0 -0.02706413 1.05384353 1.91056265 8.83497376 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.314E-8 2.9369999999E-8 6.568E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.000003672 0.00000821 0.000018359999999 0.000041049999999 0.00009179 1646-87-3 9568700 144213759 A A Aldicarb sulfoxide CC(C)(\C=N\OC(=O)NC)S(C)=O Tox21_303449 -NCGC00255705-01 196728087 tox21-ror-cho-viability-p1 set3 4 0.6113056486 17.308137044 -3.808137044 13.5 0.6999999999 0.6742170494 0.0505833894 5.80483854 -11.50678087 -4.4067808 -2.92481738 -2.04896558 -2.86216427 4.75530827 2.83317378 7.51595501 3.99848265 7.13820362 18.47714431 6.58705897 14.75121131 13.02445258 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 497-76-7 440936 144212745 A A Arbutin Oc1ccc(cc1)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O Tox21_302428 -NCGC00255686-01 196728094 tox21-ror-cho-viability-p1 set3 4 3.4376242854 7.486263768 -4.486263768 3 4.4494702849 0.4535273879 0.22166689 3.03006697 -7.3682213 -3.47840076 -7.16405604 -2.27252046 -1.53874826 -2.13160304 -12.48855314 -5.45308794 -3.14281189 -0.79414626 7.40254463 1.37941008 0.31527106 3.75157361 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3391-86-4 18827 144212356 A A 1-Octen-3-ol C=CC(O)CCCCC Tox21_302039 -NCGC00255947-01 196728097 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -44.5105359951 -4.356676192 -48.8672121871 4.9549173134 0.7852990476 0.0106514764 0.01086838 -3.88375268 -2.50650898 -9.18181822 -12.493533 -10.78529524 -4.402466 -8.38803909 -7.59981238 -6.71710893 2.52411228 2.7991332 2.62779894 -7.12261688 -40.76762872 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 83-28-3 6733 144211578 Ac Ac 2-Isovaleryl-1,3-indanedione CC(C)CC(=O)C2C(=O)c1ccccc1C2=O Tox21_301261 -NCGC00256055-01 196728505 tox21-ror-cho-viability-p1 set3 4 7.6958821542 -5.1318572959 2 -3.1318572959 4.9549173134 0.4696752442 0.2086301383 -1.5138842 0.45976524 0.47020764 -1.24623556 3.32666364 4.94156684 2.46021627 3.69696134 -0.15433177 3.01401549 6.59006315 -0.89567199 -5.10988108 -3.32235503 -1.35034338 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23235-61-2 90038 144212007 A A 2,2'-(Oxydimethanediyl)bis(2-ethylpropane-1,3-diol) OCC(COCC(CO)(CC)CO)(CC)CO Tox21_301690 -NCGC00255279-01 196728165 tox21-ror-cho-viability-p1 set3 4 2.42968011 4.06559486 -2.4787796 -8.92137981 -7.94050666 -7.43256274 12.91264003 11.27482337 -8.32710115 -5.66672678 8.20804499 9.21247947 4.3907791 2.97949787 1.23530419 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-88-3 7067 144212052 A A 2-(N-Ethyl-m-toluidino)ethanol CCN(CCO)c1cc(C)ccc1 Tox21_301735 -NCGC00256533-01 196727762 tox21-ror-cho-viability-p1 set3 4 13.6854287769 -18.4783728 2 -16.4783728 2.7202212143 0.9278569966 0.0000605947 7.36589155 0.24512445 1.0414123 -0.0062 1.02368937 1.63063036 -0.36651147 2.87490285 1.45705451 1.95178014 1.50861872 -0.36824031 -11.0696072 -16.648644 -15.39218269 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-74-8 6854 144213164 A A Carbazole c1cccc2nc3ccccc3c12 Tox21_302847 -NCGC00258632-01 196715282 tox21-ror-cho-viability-p1 set2 4 24.5594267516 -13.31185398 0.5 -12.81185398 1.271561 0.799581919 0.0081388585 -0.26695388 3.71241964 -0.01475471 0.36813206 0.11284021 -0.28736145 0.14744905 0.6188608 0.20329668 -1.48871385 -0.42929648 0.56913628 -8.45966364 -5.1174357 -12.34321165 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.971E-8 6.6439999999E-8 1.486E-7 3.3219999999E-7 7.428E-7 0.0000016609999999 0.000003714 0.000008305 0.00001857 0.00004152 0.00009285 29927-08-0 34757 144208277 A A 2-Amino-5,6-dimethylbenzothiazole Cc1cc2nc(N)sc2cc1C Tox21_201079 -NCGC00258156-01 196715280 tox21-ror-cho-viability-p1 set2 4 0.95124344 -0.30988997 -0.2444471 0.55186592 0.58254678 -0.19293677 -0.54284293 0.3173143 0.41771624 -0.66322353 -2.08471206 -0.81000491 -0.84123793 -0.41217529 -5.0478033 1.185E-9 2.649E-9 5.923E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 85100-78-3 2734237 144207800 A A 1-Hexyl-3-methylimidazolium bromide [Br-].C[n+]1ccn(CCCCCC)c1 Tox21_200602 -NCGC00258104-01 196715281 tox21-ror-cho-viability-p1 set2 4 -0.03882031 -0.14763419 -2.3164788 -0.27976611 -1.46376467 -1.43758321 -3.38031215 -1.17121527 0.80804581 -1.09373893 -1.91300974 0.83162265 -8.97211926 -0.32069439 -0.40181097 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 611-99-4 69150 144207748 A A 4,4'-Dihydoxybenzophenone O=C(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_200550 -NCGC00258393-01 196715284 tox21-ror-cho-viability-p1 set2 4 0.97423201 0.86563636 3.40475006 2.41777543 4.05850788 1.94716279 1.5199578 4.12360853 3.57623395 0.31001974 1.26208847 2.58020973 1.16532601 4.24161709 1.16614746 1.1469999999E-9 2.564E-9 5.734E-9 1.282E-8 2.867E-8 6.411E-8 1.434E-7 3.205E-7 7.168E-7 0.000001603 0.000003584 0.0000080139999999 0.00001792 0.00004007 0.00008959 91-57-6 7055 144208037 A Ac 2-Methylnaphthalene Cc1ccc2ccccc2c1 Tox21_200839 -NCGC00254049-01 196714461 tox21-ror-cho-viability-p1 set2 4 -0.70775013 0.3926437 0.33989741 2.63875415 3.70921583 5.25521498 0.90071023 0.34476378 4.41455735 0.28909139 -1.71888876 0.16298304 3.77103831 -2.05487666 0.80097317 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-94-7 31307 144210498 A A Triamcinolone OCC(=O)[C@@]3(O)[C@H](O)C[C@H]2[C@@H]4CCC1=CC(=O)C=C[C@]1(C)[C@@]4(F)[C@@H](O)C[C@@]23C Tox21_300178 -NCGC00254452-01 196714062 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -20.39747706 1 -19.39747706 4.9549173134 0.9625587712 0.0000017267 0.43072962 0.71678687 0.34764267 0.06134855 -0.00324242 2.06405632 1.42540654 1.40127567 0.3178108 1.05451605 0.65438048 1.70643425 3.12667162 -0.04649485 -15.74789755 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 179465-71-5 53316393 144210781 A C CJ-013790 NC(=O)N(O)[C@@H]3C=C[C@H](Oc2cc(Oc1ccc(F)cc1)ccc2)C3 Tox21_300463 -NCGC00254770-01 196714453 tox21-ror-cho-viability-p1 set2 -3 61.0684034629 -43.3933336754 0.689694183 -42.7036394924 4.0949729863 0.943016554 0.0000171614 -1.63422605 -0.62627083 0.33798066 0.88133727 -0.96888994 -0.10889086 1.24605306 4.67701815 0.42043977 7.22931935 -0.44082155 -1.10631002 -0.82919356 -5.8957561 -35.87373882 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 68694-11-1 91699 144211183 A A Triflumizole FC(F)(F)c2cc(Cl)ccc2\N=C(/COCCC)n1ccnc1 Tox21_300866 -NCGC00254532-01 196714457 tox21-ror-cho-viability-p1 set2 4 -0.54189179 -0.78455349 -1.14867435 -0.19199271 -1.14396813 -2.2654978 0.5665318 -2.18445332 -0.1620106 -1.54310783 -1.68537512 1.81006441 1.57115499 6.72887251 0.4747783 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-65-1 7668 144210884 AC Fns Propylbenzene CCCc1ccccc1 Tox21_300567 -NCGC00090721-03 196714466 tox21-ror-cho-viability-p1 set2 4 1.40165463 1.24907821 1.66200255 0.47841688 -0.93664826 2.47005803 -0.14019107 0.51288318 5.75245168 5.21050704 0.26899065 4.08404489 7.86135207 2.56413813 5.31538374 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00254065-01 196714468 tox21-ror-cho-viability-p1 set2 4 0.44189591 -1.04927931 -0.38290835 0.37881282 0.12144577 4.28609026 0.62507312 -1.17819574 -1.38431495 2.70050908 5.03931299 1.42456867 0.68021203 4.16313991 4.91546424 6.194E-10 1.3849999999E-9 3.097E-9 6.9249999999E-9 1.548E-8 3.4619999999E-8 7.742E-8 1.731E-7 3.8709999999E-7 8.656E-7 0.000001935 0.000004328 0.0000096769999999 0.00002164 0.000048389999999 110-05-4 8033 144210419 FNS Di-tert-butyl peroxide CC(C)(C)OOC(C)(C)C Tox21_300099 -NCGC00254312-01 196714869 tox21-ror-cho-viability-p1 set2 4 -8.27926551 -3.74413657 -5.1988616 1.06166168 0.61176782 -2.72064804 -1.66701647 -5.12210799 -10.7880295 -2.24741005 -3.01924816 -15.85037468 1.88743796 0.50908385 -3.7329377 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2043-57-4 74888 144210926 1H,1H,2H,2H-Perfluorooctyl iodide FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300609 -NCGC00254694-01 196714885 tox21-ror-cho-viability-p1 set2 4 2.13230967 0.96321576 0.73459714 -0.05556043 -0.4404724 2.34862643 0.04198572 -0.68481898 0.03833372 2.50655562 1.51138426 4.11510544 -0.26456126 -0.05086734 1.15653536 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 57837-19-1 42586 144211107 A A Metalaxyl CC(N(C(=O)COC)c1c(C)cccc1C)C(=O)OC Tox21_300790 -NCGC00091632-02 196714893 tox21-ror-cho-viability-p1 set2 4 -1.84365342 -1.78691816 -0.84023816 -1.73308393 3.4756278 1.02856989 0.36229374 3.40806644 0.5500789 0.37196444 -1.40800254 1.36776624 3.72994554 -1.29100919 -1.81615173 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00163786-06 196704292 tox21-ror-cho-viability-p1 set1 4 -6.26666628 -6.1606378 -5.66259715 -2.808803 2.1730402 1.84845482 -1.41137808 -0.06323376 -2.68300945 -3.15731954 0.12420339 2.95439535 -4.09086376 -0.86773578 -0.27994986 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 28434-01-7 162381 170466294 A Bioresmethrin O=C(OCc2cc(Cc1ccccc1)oc2)[C@@H]3[C@@H](/C=C(\C)C)C3(C)C Tox21_112072_1 -NCGC00260138-01 196703876 tox21-ror-cho-viability-p1 set1 4 -0.36461699 -3.84764255 -1.29241097 -5.45728124 -0.40747494 -1.33114523 -4.60970905 0.02569456 0.0192061 -3.47210604 1.06497253 -7.5520765 0.83466556 0.55107793 -0.54711095 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 1121-92-2 14276 144209788 F F Heptamethyleneimine C1CCCCCCN1 Tox21_202590 -NCGC00260321-01 196703882 tox21-ror-cho-viability-p1 set1 4 -2.23116438 -0.63829873 -1.56928085 -1.93792816 -1.8409736 -1.46492842 -2.88776446 -7.09561563 -3.78148937 0.04301931 -5.79358599 -8.18601345 -2.35758774 -5.04857575 -0.72559488 5.81E-11 1.299E-10 2.905E-10 6.4959999999E-10 1.453E-9 3.248E-9 7.263E-9 1.624E-8 3.631E-8 8.1199999999E-8 1.816E-7 4.06E-7 9.078E-7 0.0000020299999999 0.0000045389999999 299-27-4 16760467 144209972 Fns Potassium D-gluconate [K+].O[C@H]([C@@H](O)C([O-])=O)[C@H](O)[C@H](O)CO Tox21_202774 -NCGC00263583-01 196704290 tox21-ror-cho-viability-p1 set1 4 -0.06145095 2.55037935 5.41561161 3.12112581 3.80855553 0 0.33576484 -1.20051389 0.09767335 1.09459341 1.01382612 -3.9337746 -0.89821568 4.64969275 -0.56902979 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 110221-44-8 443873 170465944 A Temocapril hydrochloride Cl.O=C(OCC)[C@@H](N[C@H]1CS[C@@H](CN(CC(=O)O)C1=O)c2cccs2)CCc3ccccc3 Tox21_112803_1 -NCGC00090701-06 196704299 tox21-ror-cho-viability-p1 set1 4 0.0024336516 11.6071864559 -8.1071864559 3.5 3.0654483358 0.8162197782 0.0056908184 -7.17265538 -1.6113634 3.65734226 2.65362879 4.26734007 4.87837799 1.28289521 3.00965489 5.25708316 3.13566532 6.48785266 4.40219682 0.9865009 3.26234429 3.44549537 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00254678-01 196698922 tox21-ror-cho-viability-p1 set1 4 0.0071534 2.16438138 0.17223782 0.40034468 1.90286465 -1.00005576 1.57216472 5.7163515 6.27429693 1.53080664 0.03035456 -0.85756417 4.15829115 -0.77862181 0.90705066 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-40-1 2319 144211091 A Benfluralin [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCCC)CC)C(F)(F)F Tox21_300774 -NCGC00178417-03 196698504 tox21-ror-cho-viability-p1 set1 4 0.20081855 1.0327759 7.25150126 2.2615349 0.22035812 1.42616586 7.30723018 6.4734476 3.35846452 -0.17257557 3.89574184 3.44165403 2.79504966 0.25266711 4.85907172 1.1799999999E-10 2.638E-10 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 53797-35-6 20056828 170465814 Z Ribostamycin sulfate O=S(=O)(O)O.N[C@@H]3[C@@H](O)[C@H](O)[C@@H](CN)O[C@@H]3O[C@@H]2[C@@H](N)C[C@@H](N)C(O)[C@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Tox21_110657_1 -NCGC00179475-03 196698509 tox21-ror-cho-viability-p1 set1 4 0.00644426 0.37037198 7.06560734 3.31777226 3.9311385 6.51295508 3.40335748 6.71148936 4.07796899 0.2154714 5.02012369 1.52983908 4.84157505 0.05742749 5.07862492 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3093-35-4 443943 170465389 A Halcinonide ClCC(=O)[C@@]54OC(C)(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)CC[C@@]12C Tox21_110530_1 -NCGC00255006-01 196698912 tox21-ror-cho-viability-p1 set1 4 1.01829898 -0.05658539 0.77947187 0.47860454 1.30334559 -2.13801155 3.52502572 -0.37604437 4.4011431 2.61678468 1.32173201 3.86380032 6.87657779 2.60682926 -0.63883968 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18268-70-7 28999 144211423 A A Tetraethylene glycol di(2-ethylhexanoate) O=C(OCCOCCOCCOCCOC(=O)C(CC)CCCC)C(CC)CCCC Tox21_301106 -NCGC00255018-01 196698924 tox21-ror-cho-viability-p1 set1 4 1.70895328 -1.68175544 -5.51545191 -4.26965162 0.37354942 -1.50638767 1.28197626 -0.29735591 -0.15148193 -0.38924175 -4.66959645 -0.18110568 0.06085108 -0.24449499 -2.24004682 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 16752-77-5 4109 144211435 A A Methomyl C\C(=N\OC(=O)NC)SC Tox21_301118 -NCGC00254891-01 196698927 tox21-ror-cho-viability-p1 set1 4 0.1535530364 -6.1737062719 2 -4.1737062719 4.9549173134 0.4384934007 0.2361590922 0.46362515 4.18936123 1.45538452 4.21704582 -1.18338826 1.33039404 -0.70939551 -5.69611598 -5.31016768 -8.81838598 1.58701199 1.26498701 -0.73450743 -6.80396865 -9.72808856 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-21-4 8039 144211306 AC Ac Biurea NC(=O)NNC(N)=O Tox21_300989 -NCGC00254461-01 196699736 tox21-ror-cho-viability-p1 set1 4 0.0407745 -0.3867526 -1.51455806 0.77893398 0.18165244 0.3514732 -0.07860649 3.1648641 0.32292018 -1.46368687 -1.53086088 0.13420424 -0.54761621 -0.31202814 3.44692954 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 349495-42-7 9857035 144210748 A A PharmaGSID_47263 Oc1ccc(cc1)C=2CNC(=O)c3c(N=2)c(C)nn3CC Tox21_300430 -NCGC00254586-01 196699742 tox21-ror-cho-viability-p1 set1 4 -3.00476169 3.00356554 0.88243468 -0.38726921 -5.12851581 2.911163 -1.01816453 4.67645046 0.81729709 -2.34983135 5.49931835 3.5300598 -2.41741856 -0.25539976 8.28170056 3.508E-9 7.844E-9 1.754E-8 3.9219999999E-8 8.77E-8 1.961E-7 4.3849999999E-7 9.805E-7 0.000002192 0.000004902 0.00001096 0.00002451 0.00005481 0.0001226 0.0002741 420-04-2 9864 144210995 Ac Cyanamide N#CN Tox21_300678 -NCGC00257915-01 196730060 tox21-ror-cho-viability-p1 set3 4 -0.44253392 0.69259474 0.89930336 0.79305365 -1.64779639 0.36890445 -1.56445004 0.57683947 6.53924948 6.5556299 1.02469572 -1.2433554 4.34022428 2.36266271 1.01122141 1.154E-9 2.5799999999E-9 5.7689999999E-9 1.29E-8 2.884E-8 6.449E-8 1.4419999999E-7 3.225E-7 7.211E-7 0.000001612 0.000003605 0.0000080619999999 0.00001803 0.00004031 0.000090129999999 78-38-6 6534 144207559 A A Diethyl ethylphosphonate O=P(CC)(OCC)OCC Tox21_200361 -NCGC00016561-05 196697463 tox21-ror-cho-viability-p1 set1 4 -1.22832141 1.0315278 1.95301291 2.54789909 1.69696516 -0.78187152 1.08046131 1.29415079 0.61473851 0.06117991 -0.17686227 0.08362929 0.43928669 0.38332739 0.71204783 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1084-65-7 4165 170465801 A Meticrane NS(=O)(=O)c2cc1c(CCCS1(=O)=O)cc2C Tox21_110495_1 -NCGC00181911-01 196697464 tox21-ror-cho-viability-p1 set1 4 26.6032120037 11.8711830199 -1.3711830199 10.5 4.4494702849 0.8505310662 0.0022866357 -1.60658714 0.08053781 -2.23092764 -3.22598585 -2.59086762 1.29212544 -2.20117637 -0.52720464 -0.12347446 -2.05007579 -1.92900312 -1.14973111 -2.36445237 1.41866125 9.38953004 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 841-73-6 2461 144206890 B C Bucolome O=C2C(CCCC)C(=O)NC(=O)N2C1CCCCC1 Tox21_113339 -NCGC00167426-03 196697468 tox21-ror-cho-viability-p1 set1 4 0.45902015 4.252092 -3.2802581 -0.11436159 -2.85278456 1.97617761 0.33577664 4.71990324 -0.13908833 0.94624012 -2.77838634 2.28415618 0.15943895 -0.01574369 0.43571597 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 125-86-0 517304 170465518 A Caramiphen edisylate O=S(=O)(O)CCS(=O)(=O)O.CCN(CC)CCOC(=O)C1(CCCC1)c2ccccc2.CCN(CCOC(=O)C1(CCCC1)c2ccccc2)CC Tox21_112430_1 -NCGC00258431-01 196729247 tox21-ror-cho-viability-p1 set3 4 -0.90940972 4.28923456 8.73006658 1.35164975 3.05749536 -1.32244785 0.42990955 3.51955373 -0.23403478 -3.43534976 0.00396863 -14.50541795 2.17463753 2.45234205 0.50841156 1.159E-9 2.592E-9 5.7959999999E-9 1.2959999999E-8 2.898E-8 6.48E-8 1.449E-7 3.24E-7 7.245E-7 0.00000162 0.000003622 0.0000080999999999 0.000018109999999 0.000040499999999 0.00009056 626-56-2 79081 144208075 AC Fns 3-Methylpiperidine CC1CCCNC1 Tox21_200877 -NCGC00257928-01 196729249 tox21-ror-cho-viability-p1 set3 4 24.9565447203 11.2670670721 0.2329329279 11.5 4.9549173134 0.8310675509 0.0058435528 1.08769323 -0.91079076 1.02614532 -1.88922256 -0.16068573 2.5979852 -1.05059879 1.37532711 -0.58830104 1.79108412 -1.50035909 -0.28813398 2.2467249 10.94122695 1.17512474 1.2049999999E-9 2.694E-9 6.0249999999E-9 1.347E-8 3.012E-8 6.736E-8 1.506E-7 3.368E-7 7.5309999999E-7 0.0000016839999999 0.000003766 0.0000084199999999 0.000018829999999 0.0000421 0.000094139999999 91-21-4 7046 144207572 D 1,2,3,4-Tetrahydroisoquinoline c1ccc2CCNCc2c1 Tox21_200374 -NCGC00258511-01 196729643 tox21-ror-cho-viability-p1 set3 4 -4.1304285 1.08094767 -1.60916977 -14.64342265 -3.7108965 -3.44628148 -8.36972451 0 -3.15710406 -4.17722441 0 0 -8.29263589 -13.89567116 -11.10359182 1.155E-9 2.5839999999E-9 5.7769999999E-9 1.292E-8 2.889E-8 6.459E-8 1.444E-7 3.23E-7 7.2219999999E-7 0.000001615 0.000003611 0.000008074 0.000018049999999 0.000040369999999 0.000090269999999 3586-14-9 19165 144208156 A A 1-Methyl-3-phenoxybenzene Cc2cc(Oc1ccccc1)ccc2 Tox21_200958 -NCGC00258441-01 196730058 tox21-ror-cho-viability-p1 set3 4 7.72719804 11.052627272 -3.052627272 8 1.8851180601 0.7280639932 0.0269005332 -6.02736787 0.71791787 -5.9108428 0.2526324 -4.23861558 -2.97453346 -6.29385606 -4.85566761 -0.77742618 -0.20206464 -0.33545914 -0.27341298 10.74533663 6.7556486 6.70679115 1.1839999999E-9 2.647E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.619E-8 1.4799999999E-7 3.309E-7 7.4E-7 0.000001655 0.0000037 0.0000082729999999 0.0000185 0.00004137 0.0000925 537-92-8 10843 144208085 A A N-Acetyl-m-toluidine O=C(C)Nc1cc(C)ccc1 Tox21_200887 -NCGC00090780-04 196730073 tox21-ror-cho-viability-p1 set3 4 7.6958821542 -25.381595564 8 -17.381595564 0.2 0.6280675269 0.0780604001 7.02734864 5.52412314 1.87992749 -2.80886615 0.82260737 1.28348364 0.72449813 1.34969511 -3.0001274 -1.10358276 -4.61549037 -2.88459675 -2.51349156 -14.48466297 -4.94293264 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00257668-01 196730077 tox21-ror-cho-viability-p1 set3 4 43.9381215955 -11.052150392 2.5 -8.552150392 3.1319983358 0.4289276512 0.2453639823 2.43628439 0.62901442 -1.18548892 0.5792858 0.33368168 2.67490742 -1.3416622 2.26517296 7.02398303 11.45160062 0.41220941 5.13878626 2.90338175 -2.93788315 -7.54345866 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.679E-8 1.493E-7 3.3389999999E-7 7.467E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004174 0.00009334 14433-76-2 26690 144207312 A A N,N-Dimethyldecanamide CN(C)C(=O)CCCCCCCCC Tox21_200114 -NCGC00257612-01 196730477 tox21-ror-cho-viability-p1 set3 4 0.1095922211 -5.4120112799 0 -5.4120112799 1.6266150999 0.381819566 0.2909807629 -4.12751152 1.26094053 1.61094568 1.90809598 -2.49360057 0.37270855 -5.01189186 -3.56620226 -6.71596287 -3.69810069 0 -13.2600094 -6.83511308 -4.27194019 -3.59620753 1.188E-9 2.657E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016599999999 0.000003713 0.000008302 0.00001856 0.000041509999999 0.00009282 95-64-7 7248 144207256 A A 3,4-Dimethylaniline Cc1cc(N)ccc1C Tox21_200058 -NCGC00091632-02 196730483 tox21-ror-cho-viability-p1 set3 4 2.4948105 2.0243352 3.67896394 0.25770699 6.05124319 0.42509594 4.56454383 7.76049897 5.16686789 3.74605652 5.50637189 4.66238578 2.5292737 3.06190876 3.86710906 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00257321-01 196718272 tox21-ror-cho-viability-p1 set2 4 -0.56077004 -3.80805301 0.23009952 -0.53917854 0.50891508 -2.97069518 -2.1146531 -2.80709502 -2.55976645 -2.64417467 0.27780574 -0.30456311 5.16153373 -3.35801016 0.75115353 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135-76-2 23667648 144213847 A A Sodium 6-hydroxynaphthalene-2-sulfonate [Na+].[O-]S(=O)(=O)c1ccc2cc(O)ccc2c1 Tox21_303541 -NCGC00257462-01 196718256 tox21-ror-cho-viability-p1 set2 4 18.6027555523 -21.984192836 2 -19.984192836 1.287561 0.9518989699 0.0000068693 -0.06808143 0.63150596 2.28886498 1.11212886 2.203414 2.26491363 2.59841352 5.22224913 0.33412141 1.51260962 0.21113855 -2.12610362 -6.62559016 -10.53622592 -16.65349403 7.7859999999E-10 1.7409999999E-9 3.893E-9 8.705E-9 1.947E-8 4.353E-8 9.733E-8 2.176E-7 4.8659999999E-7 0.000001088 0.000002433 0.0000054409999999 0.000012169999999 0.000027199999999 0.00006083 13473-26-2 83511 144213909 Fns D&C Red 27 Brc4c5Oc1c(Br)c(O)c(Br)cc1C3(OC(=O)c2c3c(Cl)c(Cl)c(Cl)c2Cl)c5cc(Br)c4O Tox21_303604 -NCGC00257335-01 196718261 tox21-ror-cho-viability-p1 set2 4 4.8557733675 5.799920092 -3.299920092 2.5 4.9549173134 0.5040018236 0.1763111466 -0.28624092 -1.87191521 -3.28918542 1.65888038 -6.77577955 -6.1573404 -4.59573935 -2.09580234 -8.99993341 -2.27354877 -2.63420244 4.4909296 2.95012429 0.60570293 2.27320226 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2467-03-0 75576 144213822 A A 2-(4-Hydroxybenzyl)phenol Oc2ccccc2Cc1ccc(O)cc1 Tox21_303514 -NCGC00256993-01 196718262 tox21-ror-cho-viability-p1 set2 4 -0.21252681 -2.88792571 -2.42163745 -1.70078608 -0.20335691 -4.51874145 -1.26973225 -1.93907715 -4.36766283 -5.51800567 1.2661565 -3.1579842 -0.85490025 -0.64439181 0.97029959 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 29385-43-1 122499 144213503 A A Tolyltriazole Cc1cccc2nnnc12 Tox21_303186 -NCGC00257059-01 196718273 tox21-ror-cho-viability-p1 set2 4 0.28625503 -3.43550386 0.6463686 0.64997085 -0.44777301 -5.76098579 0.41889881 -6.70236568 -11.02850899 -9.32468957 -0.78569386 3.82369127 0.82360568 2.85944189 0.68412983 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-90-5 8906 144213633 A Fns Dodecyl 2-methylacrylate C=C(C)C(=O)OCCCCCCCCCCCC Tox21_303316 -NCGC00256533-01 196718667 tox21-ror-cho-viability-p1 set2 4 54.4826732819 -14.4034940039 2.5 -11.9034940039 2.9022712143 0.6789749077 0.0487293726 -0.4499408 0.23073616 3.4580564 -0.8652881 2.38247892 3.16052381 1.39170304 6.12206941 5.88406774 0.42990001 5.39671495 0.96911278 2.33227 -2.05099355 -9.50291167 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-74-8 6854 144213164 A A Carbazole c1cccc2nc3ccccc3c12 Tox21_302847 -NCGC00256878-01 196718669 tox21-ror-cho-viability-p1 set2 4 -0.89325583 -0.06048342 0.76852392 2.73244122 0.1188944 3.30807638 -0.83036376 7.57725169 2.68390038 4.76351255 4.57749669 2.32667436 3.74230933 3.86596015 1.27768669 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 144-39-8 61098 144212907 A Ac 3,7-Dimethylocta-1,6-dien-3-yl propanoate O=C(CC)OC(C)(CC\C=C(\C)C)C=C Tox21_302590 -NCGC00256879-01 196718673 tox21-ror-cho-viability-p1 set2 4 -0.32715593 -0.00941289 -0.13479653 2.62594695 1.69503952 3.60011804 2.80191698 3.64908474 4.61819146 4.47440664 6.90255924 0.76234828 2.69179636 -0.35474119 3.16132461 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 68515-75-3 14306122 144212922 Z F Hexanedioic acid, di-C7-9-branched and linear alkyl esters O=C(OCCCCCCC)CCCCC(=O)OCCCCCCCCC Tox21_302605 -NCGC00090686-07 196719086 tox21-ror-cho-viability-p1 set2 4 2.12004306 0.1656525 1.81360595 4.07034203 -0.91212453 2.21271323 -0.49500064 6.05937204 0.3282859 2.04233924 1.52856444 4.6783667 1.60280329 3.57108183 0.19279092 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00257336-01 196719088 tox21-ror-cho-viability-p1 set2 4 0.5448267328 6.546980108 -6.046980108 0.5 4.9549173134 0.495615869 0.2000048578 0.65371782 -7.35491462 -5.43771815 -6.60694653 -10.03915009 -9.99700386 -3.85249036 -7.04917458 -0.25971185 -0.57942348 -5.26703869 4.29881784 2.61850293 -0.01299518 -6.59433131 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 70568-60-4 4132186 144213836 A I 4-Butylcyclohexanol OC1CCC(CCCC)CC1 Tox21_303529 -NCGC00257117-01 196719103 tox21-ror-cho-viability-p1 set2 4 0.36915727 -0.99446268 1.41731037 0.41066691 1.60000261 1.91781311 0.40636654 7.6615008 1.38309769 2.02023838 6.79928674 5.15438395 0.03154673 1.63120511 0.82226323 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-49-9 8119 144213621 F Fns Hexamethyleneimine C1CCCCCN1 Tox21_303304 -NCGC00258604-01 196716215 tox21-ror-cho-viability-p1 set2 4 5.63594751 4.37680823 1.79461149 0.51684263 0.12179226 5.19846107 0.31196489 2.51120178 2.10553063 -0.97424218 1.13973044 1.65190645 1.69969354 -0.04740565 0.32544342 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.00001844 0.000041219999999 0.00009218 40876-98-0 23685849 144208249 D Sodium malate [Na+].O=C(OCC)C([O-])CC(=O)OCC Tox21_201051 -NCGC00258058-01 196716137 tox21-ror-cho-viability-p1 set2 4 71.2486674121 -16.580419268 1.5 -15.080419268 4.9549173134 0.8798411329 0.0008128762 0.8959676 2.12120809 1.1433273 -0.76360839 0.17700279 2.31426666 0.63330324 -0.02882203 0.16537131 1.82041496 0.82323952 1.47391265 3.46569446 2.36200432 -12.15034939 1.218E-9 2.7239999999E-9 6.092E-9 1.3619999999E-8 3.046E-8 6.811E-8 1.5229999999E-7 3.406E-7 7.6149999999E-7 0.000001703 0.000003808 0.0000085139999999 0.000019039999999 0.00004257 0.000095189999999 934-00-9 13622 144207702 A A 3-Methoxycatechol COc1cccc(O)c1O Tox21_200504 -NCGC00258782-01 196715309 tox21-ror-cho-viability-p1 set2 4 18.5848777978 -13.110834168 -1 -14.110834168 1.0999999999 0.8356576336 0.0034966986 -0.78395936 -1.75398024 -1.37117242 0.9242589 0.90146824 -1.0013226 -1.6760667 -2.45462006 -0.92501634 -1.88808604 -4.58387282 -0.75128412 -5.63532394 -7.25546875 -10.92569514 5.834E-10 1.304E-9 2.9169999999E-9 6.522E-9 1.4579999999E-8 3.261E-8 7.292E-8 1.631E-7 3.6459999999E-7 8.153E-7 0.000001823 0.000004076 0.000009115 0.000020379999999 0.000045579999999 54150-69-5 5284385 144208428 A A 2,4-Dimethoxyaniline hydrochloride Cl.Nc1ccc(cc1OC)OC Tox21_201230 -NCGC00091261-03 196716129 tox21-ror-cho-viability-p1 set2 4 54.4826732819 -21.086410992 1.5 -19.586410992 3.1319983358 0.8072501909 0.0068558088 0.3813046 -0.45806752 3.83878476 -0.0769981 1.1959031 -3.00066231 0.65554633 3.95902108 4.88701762 2.84155921 0.38288758 6.15438421 0.14949544 -4.70089861 -16.32200916 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00257584-01 196716543 tox21-ror-cho-viability-p1 set2 4 -2.35892454 -1.69757211 -2.38544798 -0.55747911 4.86029293 -0.26242438 -1.32965525 -2.65298318 -0.1900621 -0.84177806 -0.72453905 -1.23419067 0.18610659 1.37842987 -0.40694318 1.171E-9 2.6189999999E-9 5.856E-9 1.3089999999E-8 2.9279999999E-8 6.547E-8 1.464E-7 3.2729999999E-7 7.3189999999E-7 0.000001637 0.00000366 0.000008183 0.0000183 0.00004092 0.000091489999999 2935-90-2 18050 144207228 A A Methyl 3-sulfanylpropanoate O=C(OC)CCS Tox21_200030 -NCGC00090698-04 196716546 tox21-ror-cho-viability-p1 set2 4 3.77133652 2.21205297 0.38149215 1.83199424 3.15415112 3.23435225 1.81459943 0.9721144 0.36501827 1.81488344 2.28073955 3.11332546 1.15401431 0.46843073 0.76317098 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00258502-01 196716549 tox21-ror-cho-viability-p1 set2 4 -0.08712213 -0.41338591 -3.9145584 -5.10847548 0.98373793 -1.81056784 0.88177723 -2.56952612 -0.03287248 -0.1041085 -4.67941746 0.02691386 -4.95661079 2.24714322 2.04610108 1.1449999999E-9 2.56E-9 5.725E-9 1.28E-8 2.8619999999E-8 6.4009999999E-8 1.431E-7 3.2E-7 7.156E-7 0.0000016 0.000003578 0.0000080009999999 0.00001789 0.000039999999999 0.000089449999999 515-40-2 68191 144208147 A A (1-Chloro-2-methylpropan-2-yl)benzene ClCC(C)(C)c1ccccc1 Tox21_200949 -NCGC00015428-15 196716956 tox21-ror-cho-viability-p1 set2 4 0.016785492 8.331651208 -9.331651208 -1 1.21 0.7632014208 0.0160073226 -7.54676674 -11.10970934 -8.7444182 -7.74334694 -2.68846744 -7.63893952 -1.03979122 -0.2062075 -0.0498804 0.56964032 0.02065516 -3.17472769 0.07752247 -0.4143154 -3.31795831 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54910-89-3 3386 170465374 A (+/-) -Fluoxetine FC(F)(F)c2ccc(OC(CCNC)c1ccccc1)cc2 Tox21_110144_1 -NCGC00253693-01 196716959 tox21-ror-cho-viability-p1 set2 4 0.0749780386 6.199756296 -5.699756296 0.5 2.7202212143 0.4262090664 0.2476839556 -0.76426489 -12.46706512 -1.42267582 -1.00122841 -12.66646358 -7.38278312 -1.12928037 -1.96446732 -0.63552153 0.61655367 -1.03566679 1.17635898 1.96969431 0.51791703 1.66294682 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55453-87-7 41448 170466166 A A Isoxepac O=C(O)Cc1ccc2OCc3ccccc3C(=O)c2c1 Tox21_113815 -NCGC00164507-03 196716962 tox21-ror-cho-viability-p1 set2 4 -1.07356552 0.37917534 -0.80664071 2.8886155 1.61575424 4.30985403 2.42900095 -0.98200289 0.7372381 2.44398235 0.37652186 -0.28095619 1.7890777 0.10695045 -1.14596091 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6236-05-1 22601 170466089 I Nifuroxime O=[N+]([O-])c1ccc(/C=N\O)o1 Tox21_112143_1 -NCGC00091657-02 196716967 tox21-ror-cho-viability-p1 set2 4 2.64170581 3.15333337 -0.4807937 3.36826438 -2.90462522 -0.35363298 -0.13745234 0.16940815 1.23557639 1.65561837 2.81486571 -0.92303213 -0.66463376 1.4992527 2.70313942 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00253709-01 196717793 tox21-ror-cho-viability-p1 set2 4 1.7440053 0.35084616 2.82638993 4.92388238 5.30108537 6.8180338 3.73759702 4.42506806 -0.12486417 -1.05260733 -0.04317013 0.87894672 0.37870003 1.36177186 2.49151107 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 39512-49-7 38282 170466687 A A 4-(4-Chlorophenyl)-4-piperidinol OC1(CCNCC1)c2ccc(Cl)cc2 Tox21_113829 -NCGC00021146-09 196717796 tox21-ror-cho-viability-p1 set2 4 16.7854920005 -16.025507148 -2 -18.025507148 0.7999999999 0.8008156117 0.0079449768 -3.89581909 -5.49553363 -3.64272376 -2.57112857 1.21959787 0.34732711 -3.12488852 -0.67328665 -4.13769575 -3.93573775 -4.81346884 -5.28998849 -7.842323 -11.10313119 -13.35458929 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 74050-98-9 3822 170466645 A Ketanserin Fc1ccc(cc1)C(=O)C4CCN(CCN2C(=O)c3ccccc3NC2=O)CC4 Tox21_110865_1 -NCGC00257731-01 196715746 tox21-ror-cho-viability-p1 set2 4 -0.37229779 3.99520114 5.77105278 -0.11277571 0.27666198 4.63367418 1.62285729 4.45105786 3.10086379 3.54714421 2.02603711 3.42681952 3.57350707 1.51360611 -2.03280204 1.1689999999E-9 2.615E-9 5.8459999999E-9 1.3069999999E-8 2.9229999999E-8 6.536E-8 1.462E-7 3.268E-7 7.308E-7 0.0000016339999999 0.0000036539999999 0.0000081709999999 0.00001827 0.00004085 0.000091349999999 110-96-3 8085 144207375 FNS Diisobutylamine CC(C)CNCC(C)C Tox21_200177 -NCGC00255880-01 196701006 tox21-ror-cho-viability-p1 set1 4 3.53812065 -0.26794768 0.57523154 -0.11614814 0.62202666 2.03022755 1.62033858 1.16198369 1.75194434 -4.45061407 -0.33917842 1.05105791 -1.12860198 0.14477752 0.220703 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-94-5 8454 144211529 Fns N-Methylpyrrolidine CN1CCCC1 Tox21_301212 -NCGC00255583-01 196700175 tox21-ror-cho-viability-p1 set1 4 0.04475571 2.85724702 -1.13611013 3.68882188 -0.21343488 -0.32091222 3.28831483 0.81686461 -0.90899035 4.72773254 0.47127569 -1.60302432 4.54521802 3.95291042 0.38913507 9.851E-10 2.203E-9 4.9249999999E-9 1.101E-8 2.463E-8 5.5069999999E-8 1.2309999999E-7 2.753E-7 6.157E-7 0.000001377 0.0000030779999999 0.000006883 0.00001539 0.00003442 0.00007696 27344-41-8 33786 144211857 Ac Disodium 4,4'-bis(2-sulfostyryl)biphenyl [Na+].[Na+].O=S([O-])(=O)c4ccccc4C=Cc1ccc(cc1)c3ccc(C=Cc2ccccc2S([O-])(=O)=O)cc3 Tox21_301540 -NCGC00091663-03 196700992 tox21-ror-cho-viability-p1 set1 4 -7.33617824 -6.89494794 -7.44877133 -0.81730828 -1.34759071 -3.698262 -3.61688722 -2.6588962 -7.04871801 -0.75635321 -4.01181947 -5.27021336 -0.55003693 0.83778581 0.4977042 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00090952-07 196700999 tox21-ror-cho-viability-p1 set1 4 -1.28552801 5.78840434 4.29935046 2.4919968 -1.82900077 6.3245045 5.56866777 4.4335679 5.42793199 1.13366131 0.60056455 2.84149924 3.7449599 5.14913511 4.77798904 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00255662-01 196701007 tox21-ror-cho-viability-p1 set1 4 15.3553036427 4.970175216 -0.470175216 4.5 2.9022712143 0.4264593524 0.2504354857 0.69937129 -0.06632985 0.33419793 -1.20674422 0.27708765 -1.11755497 -5.01256726 1.69684926 1.17571167 1.4783538 -5.39181268 1.76206056 1.82204164 5.73727182 3.70196034 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1928-47-8 15998 144212229 A A 2,4,5-T-2-ethylhexyl Clc1cc(OCC(=O)OCC(CC)CCCC)c(Cl)cc1Cl Tox21_301912 -NCGC00255364-01 196701408 tox21-ror-cho-viability-p1 set1 4 0.25306103 2.25361014 -2.12039839 -1.45941929 -2.48163803 -1.70492666 -2.00065422 -0.00320157 1.55208958 -1.32550038 0.5193769 8.06349916 2.02944381 -0.88265622 0.8729944 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6373-74-6 5284435 144212203 A C.I. Acid Orange 3 [Na+].O=S([O-])(=O)c2cc(ccc2Nc1ccccc1)Nc3ccc(cc3[N+]([O-])=O)[N+]([O-])=O Tox21_301886 -NCGC00091657-02 196701415 tox21-ror-cho-viability-p1 set1 4 1.23223822 1.46337119 0.22509018 0.02308728 -0.13212651 1.19304423 1.9302455 2.71414089 0.26021542 2.53311266 -5.9295607 -0.55054907 -0.82428707 4.68498048 3.66975747 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00255141-01 196701423 tox21-ror-cho-viability-p1 set1 4 -2.99432461 -0.50156999 -0.04278366 -0.06154345 -11.83554006 0.1795619 -0.14676166 -0.86574476 -6.69125462 0.13531193 -2.22083204 -4.09750313 -1.07404149 0.85937385 -8.4177379 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-56-9 67123 144212213 A A Triethylene glycol dibenzoate O=C(OCCOCCOCCOC(=O)c1ccccc1)c2ccccc2 Tox21_301896 -NCGC00258135-01 196701818 tox21-ror-cho-viability-p1 set1 -1.1 24.2870266016 -96.234931379 -3.79588548 -100.030816859 1.9673362061 0.9302801785 0.0000502412 0.92625716 1.55205153 -5.45838922 9.27905262 -0.0553002 -0.74109448 -5.46586081 -5.64197976 -7.79832427 -11.8342332 -13.22173388 -23.73909807 -26.67079779 -88.67980218 -86.19888815 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009203 121107-18-4 22678982 144207779 A A Methyltrioctylammonium trifluoromethanesulfonate C[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.FC(F)(F)S([O-])(=O)=O Tox21_200581 -NCGC00255655-01 196701024 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -13.25303854 0.5 -12.75303854 4.9549173134 0.6579027073 0.0605018301 1.19210624 0.24764061 3.15047506 0.27268523 0.30089792 -2.12899845 1.85488058 -0.70710316 0.02981469 4.50877022 -0.18720153 -0.36324066 -3.80093075 0.13336345 -10.21086545 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1120-04-3 23673604 144212701 A Octadecyl sulfate sodium salt [Na+].[O-]S(=O)(=O)OCCCCCCCCCCCCCCCCCC Tox21_302384 -NCGC00256176-01 196700618 tox21-ror-cho-viability-p1 set1 -3 61.130564862 -46.53364277 2.400729578 -44.132913192 2.9522712143 0.9404962786 0.0000216689 2.57328759 3.95116463 0.76109848 5.33664665 5.56943783 2.54985106 0.51814185 2.60958461 0.47026455 8.29009815 0.80550607 -0.73491709 -0.50359637 -7.78200684 -33.69531029 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 61931-82-6 93335 144211727 A B N-(4-Methylpentan-2-yl)-N-phenylbenzene-1,4-diamine CC(C)CC(C)N(c1ccccc1)c2ccc(N)cc2 Tox21_301410 -NCGC00255700-01 196701013 tox21-ror-cho-viability-p1 set1 4 76.9588215421 9.4604899519 -0.4604899519 9 4.9549173134 0.4784676318 0.2020393549 -0.11369008 -0.922294 -4.96707496 -0.79593714 -1.3939756 0.26793186 0.55661002 -0.76178187 4.29095824 -1.39548171 -1.44038053 1.33759638 -0.41047873 -0.66621406 6.61189941 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 532-43-4 10762 144212638 A F Thiamine nitrate [O-][N+]([O-])=O.Cc2nc(N)c(C[n+]1csc(CCO)c1C)cn2 Tox21_302321 -NCGC00255488-01 196728496 tox21-ror-cho-viability-p1 set3 -2.1 48.5577336745 -103.5323871094 -0.7664840609 -104.2988711703 1.713743691 0.9863857571 5.1E-9 -0.00204053 3.27175639 1.59449361 -2.19743589 -0.08865272 0.00781415 0.19622848 -5.65541611 0.81658054 -1.640716 -5.53784201 -10.34893483 -16.34876234 -43.40796224 -79.39308422 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 497-39-2 10346 144211841 A A 4,6-Di-tert-butyl-m-cresol CC(C)(C)c1cc(c(C)cc1O)C(C)(C)C Tox21_301524 -NCGC00255502-01 196728472 tox21-ror-cho-viability-p1 set3 4 -0.48092293 4.27163667 2.190394 -1.59476169 -1.8166114 0.59652377 3.00059104 -2.08522552 -2.74115282 -4.22324429 -0.98642478 -2.48835337 0.44348952 -2.92148136 5.52156645 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3653-48-3 2724048 144212703 Ac Ac MCPA-sodium [Na+].Clc1cc(C)c(OCC([O-])=O)cc1 Tox21_302386 -NCGC00255398-01 196728478 tox21-ror-cho-viability-p1 set3 1.4 0.1933118196 40.285428368 -8.785428368 31.5 0.3 0.7921898215 0.0093169109 4.42290282 -5.03608601 -6.90452364 2.78853032 8.67157347 15.06961001 17.03308225 11.43656558 13.4624437 10.35714933 17.07958833 20.14429339 28.59643402 26.01521068 25.88641966 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 622-40-2 61163 144212339 A 4-(2-Hydroxyethyl)morpholine OCCN1CCOCC1 Tox21_302022 -NCGC00254896-01 196719958 tox21-ror-cho-viability-p1 set3 4 -4.51028196 -7.31279133 -5.0639435 0.8877653 -4.33666759 -2.25030542 2.10991773 3.06869382 -5.55303523 1.64583813 -4.43789717 -4.28460248 3.03241302 -2.20886459 -3.46741071 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 128639-02-1 86222 144211311 A A Carfentrazone-ethyl O=C(OCC)C(Cl)Cc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F Tox21_300994 -NCGC00253976-01 196719540 tox21-ror-cho-viability-p1 set3 4 -3.04127816 -8.32373675 3.30746023 -8.29330714 0.78979765 -10.62499197 -9.37259561 -7.61095576 -6.90664069 -9.92687092 -7.71644481 -7.07522797 -5.98670339 -1.96530531 -3.83633052 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-61-1 7567 144210450 A A 4,4'-Methylenebis(N,N-dimethylaniline) CN(C)c2ccc(Cc1ccc(cc1)N(C)C)cc2 Tox21_300130 -NCGC00090827-04 196719949 tox21-ror-cho-viability-p1 set3 4 10.51376532 6.2777805 -1.85343139 5.97179961 2.02977468 -3.03384041 6.76514854 -2.83625336 6.32488865 4.51833562 7.03865596 10.56931653 5.82902177 5.2694647 2.39579797 1.188E-9 2.656E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.641E-8 1.4849999999E-7 3.321E-7 7.425E-7 0.0000016599999999 0.000003712 0.0000083009999999 0.00001856 0.000041509999999 0.00009281 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00254469-01 196719956 tox21-ror-cho-viability-p1 set3 4 3.0637858693 -18.231661912 14.5 -3.731661912 0.4999999999 0.8205204594 0.0050396338 14.95956478 9.93040663 20.29760704 10.96764786 10.43115101 13.82478552 10.3393953 11.58330772 9.69179325 4.02990659 5.4534977 4.26900935 1.37264743 -0.60971826 -0.44913875 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 75-99-0 6418 144210682 A A Dalapon CC(Cl)(Cl)C(=O)O Tox21_300364 -NCGC00164449-04 196720355 tox21-ror-cho-viability-p1 set3 4 2.4336516212 11.1930231839 -1.1930231839 10 4.9549173134 0.3902404985 0.2973772214 -5.04503118 1.26787312 4.1875353 3.19411096 -3.22152255 13.68220886 -8.07751932 -4.48677476 -6.65945849 -5.52759176 16.6883009 11.70199398 9.1879452 3.56731853 3.16687072 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00255078-01 196720365 tox21-ror-cho-viability-p1 set3 4 12.55570501 5.79701731 5.04083928 0.13561251 8.64340717 -0.02241779 0 4.37596985 13.67235161 11.74257066 5.69001212 6.29523432 12.70212562 -2.48167886 8.56686762 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 110-38-3 8048 144211497 A F Ethyl decanoate O=C(CCCCCCCCC)OCC Tox21_301180 -NCGC00254655-01 196720378 tox21-ror-cho-viability-p1 set3 4 32.0382990255 14.2887226999 -5.2887226999 9 0.7 0.7102524431 0.0339702649 -3.59114887 -4.95185755 -11.49060225 -7.08814764 -3.19144988 -1.86061374 -4.86763202 -5.09467705 -1.71979682 -1.320221 -4.46494065 0.17554124 0.70036882 6.12157671 5.25080838 2.1779999999E-9 4.87E-9 1.089E-8 2.435E-8 5.444E-8 1.2169999999E-7 2.7219999999E-7 6.087E-7 0.000001361 0.000003044 0.000006806 0.00001522 0.00003403 0.00007609 0.0001701 504-63-2 10442 144211067 A A 1,3-Propanediol OCCCO Tox21_300750 -NCGC00254582-01 196720771 tox21-ror-cho-viability-p1 set3 4 0.0076958822 15.21460298 -16.21460298 -1 0.6 0.6851594173 0.0550893404 -10.48073873 -16.01216915 -4.42853139 -6.60199673 -9.70803602 -2.69187328 -1.58794693 -3.14245163 -3.700324 0.36495558 -0.48604658 -0.8134285 -3.84900561 0.78413204 -12.86965942 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-43-7 7017 144210991 A A 2-Phenylphenol Oc2ccccc2c1ccccc1 Tox21_300674 -NCGC00256776-01 196718275 tox21-ror-cho-viability-p1 set2 4 0.54912994 1.38593434 -0.65441241 2.86043879 1.13091517 1.42077926 0.90839551 3.70213796 6.02019136 0.75341038 3.03515001 0.26748567 1.9149766 1.51386363 0.99000387 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 880-09-1 70151 144212801 F Fns Dipiperidinomethane C1CCCCN1CN2CCCCC2 Tox21_302484 -NCGC00091390-04 196717875 tox21-ror-cho-viability-p1 set2 4 -0.85823734 -0.17634182 3.20611967 3.6499011 5.50562401 1.8510841 5.25238896 3.61162577 0.07850509 1.45412981 3.06691671 -1.21253762 -0.86484326 -0.9758758 2.43674322 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 150-76-5 9015 170464687 F 4-Methoxyphenol Oc1ccc(OC)cc1 Tox21_111125_1 -NCGC00015872-08 196717881 tox21-ror-cho-viability-p1 set2 2.1 26.6032120037 76.7938632469 -1.0572448069 75.73661844 4.5044702849 0.9282636692 0.0000584211 -14.13485176 -3.23332085 -6.14057901 0.68518922 0.82590398 -1.67346301 -4.16369728 -0.16396985 0.60416963 -1.35450265 8.5242008 -1.15284805 7.13125233 15.93394578 69.91092129 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5786-68-5 5702242 170466093 A Quipazine maleate O=C(O)/C=C\C(=O)O.n1c3ccccc3ccc1N2CCNCC2 Tox21_110249_1 -NCGC00163786-06 196717883 tox21-ror-cho-viability-p1 set2 4 1.59346929 0.96573996 0.39465703 2.84637947 0.26243595 3.49302061 -2.83862084 0.9684697 0.60383778 -0.10342695 3.94175486 1.48241015 0.661295 1.31080505 1.22840667 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 28434-01-7 162381 170466294 A Bioresmethrin O=C(OCc2cc(Cc1ccccc1)oc2)[C@@H]3[C@@H](/C=C(\C)C)C3(C)C Tox21_112072_1 -NCGC00257046-01 196718285 tox21-ror-cho-viability-p1 set2 4 -1.03724629 2.66981462 0.53192842 0 0.45107196 -1.48370913 -1.16509526 -0.13342546 7.3116622 4.72088376 1.62367408 0.09637155 1.19749519 -1.17250422 1.88978966 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-59-4 8199 144213425 C A 2-[2-(Hexyloxy)ethoxy]ethanol OCCOCCOCCCCCC Tox21_303108 -NCGC00163724-03 196718625 tox21-ror-cho-viability-p1 set2 4 61.130564862 -26.6811346119 1 -25.6811346119 2.6384283767 0.889028756 0.0005439592 -0.21892048 0.41249578 1.99730864 1.30240373 2.67603819 2.05986321 -0.56684341 1.18698327 5.09615158 0.2035991 -0.51475014 -3.52505013 0.49174164 -5.94157732 -18.90094551 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00257313-01 196718616 tox21-ror-cho-viability-p1 set2 4 34.3762428541 -10.6910248839 -1.5 -12.1910248839 4.9549173134 0.665296336 0.0559729941 0.46937277 -0.32373243 -0.16627288 -1.64211894 -5.2440037 -2.84463839 -5.02767917 -0.54519512 0.23661441 -6.43202608 0.97790327 -1.21479972 0.0097439 -10.06284956 -11.82585407 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 712-50-5 12837 144213955 A Cyclohexylphenylketone O=C(c1ccccc1)C2CCCCC2 Tox21_303653 -NCGC00256982-01 196718627 tox21-ror-cho-viability-p1 set2 4 -0.89342052 -2.83621051 0.69812323 -8.74707062 -8.35280982 -0.11955626 -2.55571631 -3.56195945 -1.29287172 -1.06239665 -6.41791784 1.24981308 -2.59211366 1.65088353 1.81658333 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 97-86-9 7352 144213644 Fns Isobutyl methacrylate CC(=C)C(=O)OCC(C)C Tox21_303327 -NCGC00257044-01 196718628 tox21-ror-cho-viability-p1 set2 4 -4.15850176 1.47908534 2.27019521 -6.27042099 0.00451806 -1.31521487 -2.90343703 -3.88249459 -4.33989353 -8.89141493 2.57338077 -9.78634012 1.07768422 2.83012463 0.6486159 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-16-8 7375 144213398 A F 3-(Trifluoromethyl)aniline FC(F)(F)c1cc(N)ccc1 Tox21_303081 -NCGC00257070-01 196718634 tox21-ror-cho-viability-p1 set2 4 0.6853043 -0.33026863 0.40955714 2.40733872 0.86963912 1.9410547 -0.07386778 2.21360889 -0.56259157 -1.28706965 0.87412603 3.78944373 2.22965716 3.35263029 1.74001874 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 95-16-9 7222 144213549 A F Benzothiazole c1cccc2scnc12 Tox21_303232 -NCGC00256542-01 196718635 tox21-ror-cho-viability-p1 set2 -2.4 6.8589621897 -27.3548091719 1 -26.3548091719 3.9294729863 0.9784663737 2.646E-7 1.47574716 0.85280972 3.53542987 -1.59290269 -0.11680834 1.038757 3.30741922 2.90618168 -0.57577636 0.91399105 -0.91085299 -16.27628489 -27.79567431 -25.57087706 -8.09265805 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 10108-64-2 24633 144213317 Cadmium chloride [Cd+2].[Cl-].[Cl-] Tox21_303000 -NCGC00256953-01 196718638 tox21-ror-cho-viability-p1 set2 4 1.86328711 -2.42972964 0.05535758 -1.44137263 1.70307239 0.59696458 1.26749024 -1.58623465 1.42484908 -2.79342247 -0.46713606 -4.12687972 -2.27159744 0.05950217 2.18842241 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 552-30-7 11089 144213434 Z A Trimellitic anhydride O=C(O)c1ccc2C(=O)OC(=O)c2c1 Tox21_303117 -NCGC00257200-01 196719032 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -9.432984772 0.5 -8.932984772 4.0449729863 0.4834906021 0.1983481195 -0.1086303 0.67087905 1.3394569 0.49188052 1.61564249 5.41522266 2.13315857 2.07194709 -0.84041886 -0.08671363 -1.91482399 -1.14355138 -0.06959646 -0.17965708 -5.77748731 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 886-50-0 13450 144213458 A A Terbutryn CSc1nc(NCC)nc(NC(C)(C)C)n1 Tox21_303141 -NCGC00256777-01 196719041 tox21-ror-cho-viability-p1 set2 4 -0.18708832 0.99489719 -1.11057763 3.7462326 3.36522886 6.87665253 0.88302277 1.52475716 -0.40447702 2.17813109 0.20564353 2.05483766 2.68647064 1.87116003 0.7079649 9.9269999999E-10 2.22E-9 4.963E-9 1.11E-8 2.4819999999E-8 5.5489999999E-8 1.241E-7 2.775E-7 6.2039999999E-7 0.000001387 0.0000031019999999 0.0000069359999999 0.00001551 0.00003468 0.000077549999999 9003-11-6 10154203 144212816 F A Pluronic F-127 OCCOC(C)COCCO Tox21_302499 -NCGC00179582-03 196717823 tox21-ror-cho-viability-p1 set2 4 2.3804216 -0.00269157 2.21789495 4.89543094 0.46715075 2.44995366 3.83637074 3.69762666 -0.42681622 0.09824204 -0.34889822 0.15093493 -0.29310919 -1.2415114 0.4576664 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 37661-08-8 441398 170465170 A Bacampicillin hydrochloride Cl.N[C@H](c1ccccc1)C(=O)N[C@@H]3C(=O)N2[C@@H](C(=O)OC(C)OC(=O)OCC)C(C)(C)S[C@@H]23 Tox21_110640_1 -NCGC00181755-01 196716991 tox21-ror-cho-viability-p1 set2 1.4 0.0053080386 22.6893935839 -20.6893935839 2 1.01 0.9610717064 0.0000021179 -18.49116132 -16.57576868 -12.19692061 -10.37762336 -0.40955933 -2.14806374 -0.16783438 0.6271235 0.10468142 4.27480275 2.82278167 1.74250134 1.55529143 1.68170214 3.12374906 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83435-67-0 5362115 144206480 D F Delapril hydrochloride Cl.O=C(OCC)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(CC(=O)O)C2Cc3ccccc3C2 Tox21_112927 -NCGC00258403-01 196702247 tox21-ror-cho-viability-p1 set1 4 13.6019669824 8.8324816679 -0.8324816679 8 1.221561 0.5082857258 0.1904859926 -4.86040139 0.15395012 -0.60962686 3.27811729 0.09044695 0.63426778 -0.19990655 -0.38329091 -4.50806577 0.64502903 0.75564273 3.96587644 2.37482792 7.16522851 0.72961539 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 0.000091709999999 108-86-1 7961 144208047 AC Ac Bromobenzene Brc1ccccc1 Tox21_200849 -NCGC00258424-01 196702253 tox21-ror-cho-viability-p1 set1 4 -2.24963242 1.13938533 -0.31650494 -2.30839491 3.14173679 5.26224151 0.17351955 3.68994891 3.00106591 0.5154891 6.72407656 1.49462119 7.41837782 3.44585061 1.24378008 1.165E-9 2.6039999999E-9 5.8229999999E-9 1.302E-8 2.912E-8 6.51E-8 1.456E-7 3.255E-7 7.2789999999E-7 0.000001628 0.000003639 0.0000081379999999 0.0000182 0.00004069 0.00009099 770-05-8 102484 144208068 A A Octopamine hydrochloride Cl.OC(CN)c1ccc(O)cc1 Tox21_200870 -NCGC00258764-01 196702661 tox21-ror-cho-viability-p1 set1 4 -8.28612742 -1.49184456 2.20704747 -3.33382681 0.64992608 2.18051054 -6.98050333 0.28891466 -2.1837833 0.90474688 -2.34728768 -2.69580571 -0.76957763 -6.89267068 -3.14140713 1.171E-9 2.617E-9 5.8529999999E-9 1.3089999999E-8 2.926E-8 6.543E-8 1.463E-7 3.2719999999E-7 7.316E-7 0.0000016359999999 0.000003658 0.0000081789999999 0.00001829 0.0000409 0.00009145 434-22-0 9904 144208410 A A Nandrolone O=C4CC[C@H]3C(CC[C@@H]1[C@@H]3CC[C@]2(C)[C@@H](O)CC[C@@H]12)=C4 Tox21_201212 -NCGC00258383-01 196702664 tox21-ror-cho-viability-p1 set1 4 5.50413427 2.33938493 2.16664222 -0.69540951 3.97711187 2.55542071 8.00523915 2.3281785 4.74162129 -11.79324044 3.37168048 -0.8091351 5.32328838 -10.66833997 -3.05566206 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.0000016739999999 0.000003742 0.000008368 0.00001871 0.00004184 0.00009355 93-97-0 7167 144208027 FNS Benzoic anhydride O=C(OC(=O)c1ccccc1)c2ccccc2 Tox21_200829 -NCGC00258177-01 196702669 tox21-ror-cho-viability-p1 set1 4 -2.74073886 -5.6017648 -2.69583992 -4.22106648 -4.19974566 0 -0.10425567 4.96073916 2.00593418 -2.44379072 -9.08258249 3.63837764 1.11433443 -3.6659444 8.14594647 1.177E-9 2.6319999999E-9 5.886E-9 1.316E-8 2.943E-8 6.5809999999E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.000003679 0.000008226 0.00001839 0.00004113 0.000091969999999 78-44-4 2576 144207821 A A Carisoprodol O=C(NC(C)C)OCC(C)(COC(=O)N)CCC Tox21_200623 -NCGC00257814-01 196702672 tox21-ror-cho-viability-p1 set1 4 13.6575987241 12.890142776 -0.890142776 12 0.4 0.553996349 0.1496295097 0.22440359 -2.49471804 2.61004231 -1.37769288 -4.07511898 1.1678732 3.35122106 0.12985029 5.87690566 2.46174766 2.1822984 2.28734554 8.44635992 6.81083033 1.59507072 1.1779999999E-9 2.633E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.00000368 0.00000823 0.000018399999999 0.00004115 0.00009201 581-42-0 11387 144207458 A A 2,6-Dimethylnaphthalene Cc1ccc2cc(C)ccc2c1 Tox21_200260 -NCGC00260606-01 196703067 tox21-ror-cho-viability-p1 set1 4 0.8678669 2.87547208 0.09229889 0.90147603 7.5570109 0.19081195 2.03861137 1.39957322 6.59660901 0.04174038 -0.02916325 0.31857451 1.72909536 0.1465375 1.06625229 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49502 144210259 M M NTP Mix9 AR1 8-EQC Tox21_203061 -NCGC00260210-01 196703106 tox21-ror-cho-viability-p1 set1 4 27.0840205159 -12.717101492 1 -11.717101492 4.9549173134 0.738857498 0.0298819638 0.56252933 1.08230364 -1.29412813 2.07609116 -0.7961635 1.99475121 -0.4151499 0.50228812 -0.43871817 3.23302142 5.37607842 -0.57185114 1.81741319 -11.43091791 1.73435327 1.172E-9 2.621E-9 5.862E-9 1.311E-8 2.931E-8 6.554E-8 1.465E-7 3.277E-7 7.327E-7 0.0000016379999999 0.000003664 0.000008192 0.00001832 0.00004096 0.00009159 623580-02-9 12184311 144209860 FNS 1-Butyl-1-methylpiperidinium bis(trifluoromethylsulfonyl)imide FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C[N+]1(CCCC)CCCCC1 Tox21_202662 -NCGC00257799-01 196702695 tox21-ror-cho-viability-p1 set1 4 77.585350921 -11.030850136 2 -9.030850136 4.9549173134 0.4248795944 0.2511766222 3.60889815 0.59538109 1.13919396 8.50435567 -0.30240571 1.04935402 0.2737934 5.56229058 2.56219576 -0.0338177 2.46831359 0.09459397 0.72956665 1.44587871 -5.85904178 1.188E-9 2.656E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.639E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.000003712 0.000008299 0.00001856 0.0000415 0.00009279 69409-94-5 50516 144207443 A A Fluvalinate Clc3cc(ccc3NC(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C(C)C)C(F)(F)F Tox21_200245 -NCGC00258086-01 196702699 tox21-ror-cho-viability-p1 set1 4 1.75804484 2.20737995 -0.52529255 0.66236974 -2.4452909 7.34154713 4.30527583 3.04602037 4.01359679 0.90818624 2.56844026 0.90959326 6.89995791 1.96186469 5.95691208 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004124 0.00009223 1821-02-9 74563 144207730 B B 2-Oxopentanoic acid CCCC(=O)C(=O)O Tox21_200532 -NCGC00091088-05 196703103 tox21-ror-cho-viability-p1 set1 4 2.32048549 2.44102849 0.47837283 0.76121272 4.47572896 0.25988025 6.66394826 -0.35892882 1.95358785 1.20867671 0.19775795 -8.62618516 6.43456272 2.55162277 1.65885881 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00091643-08 196703508 tox21-ror-cho-viability-p1 set1 4 30.6378586933 -33.1333542091 -1.2067344059 -34.340088615 1.4641 0.4510897405 0.2398221808 -1.51742236 0.7226159 -2.57441914 -5.44165156 15.20340955 -12.27204297 5.6529479 1.0310403 -0.15524517 -11.20454232 -8.02208948 -3.99209922 -5.90371715 -26.86393451 -12.0824672 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00356991-01 196703509 tox21-ror-cho-viability-p1 set1 -2.2 54.4826732819 -50.813958871 0.814100743 -49.999858128 1.8079476909 0.9309633102 0.0000478234 0.02705502 3.91278231 1.83307944 2.90148629 0.2158844 -0.33132652 0.26485978 3.98031217 2.09837314 0.90574433 1.03675404 -9.50435398 -3.27289105 -16.70075798 -37.8786804 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1942-71-8 16033 251919882 A 2-(4-tert-Butylphenoxy)cyclohexan-1-ol CC(C)(C)c1ccc(cc1)OC2CCCCC2O Tox21_303920 -NCGC00258548-01 196730140 tox21-ror-cho-viability-p1 set3 -2.2 29.1484665553 -37.1851668399 3.5 -33.6851668399 1.21 0.8840497685 0.0006685593 4.18684393 4.90023998 3.67048849 4.64980523 5.15144674 4.87443023 0.06309938 5.76215747 3.23250646 4.40095559 -7.67223639 -4.66493575 -4.97496476 -14.74360458 -31.4043057 1.132E-9 2.532E-9 5.661E-9 1.2659999999E-8 2.83E-8 6.3289999999E-8 1.415E-7 3.165E-7 7.076E-7 0.000001582 0.000003538 0.000007911 0.00001769 0.00003956 0.00008845 27503-81-7 33919 144208193 A A Ensulizole O=S(=O)(O)c1cc2nc(nc2cc1)c3ccccc3 Tox21_200995 -NCGC00091009-05 196724271 tox21-ror-cho-viability-p1 set3 -2.4 30.876334249 -23.831755232 -1 -24.831755232 1.0999999999 0.745470041 0.0209191229 0.36506311 1.41127507 -2.33876239 -10.33574411 -1.53831767 -0.69849885 3.01055324 0.57341834 0.430931 -0.60624819 -2.24367321 -8.71611524 -8.5058942 -10.95302932 -20.69312936 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.00003772 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00260237-01 196724276 tox21-ror-cho-viability-p1 set3 4 1.2135158133 15.887381996 -7.887381996 8 0.3 0.763947394 0.0208731254 -9.07281833 -6.49358102 -2.46612749 -4.08937591 -0.86857894 -3.69490286 -2.54144777 -1.65211463 -3.58937626 0.15827931 1.46624784 -0.02447206 5.66472595 5.08637128 -0.69864422 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.000018359999999 0.000041049999999 0.000091779999999 32353-64-3 11995188 144209887 A Z 1-Butyl-4-methylpyridinium iodide [I-].Cc1cc[n+](CCCC)cc1 Tox21_202689 -NCGC00257704-01 196730154 tox21-ror-cho-viability-p1 set3 4 -3.83274537 -2.73189199 0.08425187 -3.04276073 0.17136109 -1.49365556 0.25138293 -0.16982037 3.526393 -0.2955229 -1.31823636 0.43115649 0.18851223 0.36638577 3.12359473 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.315E-8 2.94E-8 6.573E-8 1.4699999999E-7 3.2869999999E-7 7.3489999999E-7 0.000001643 0.000003674 0.0000082159999999 0.00001837 0.00004108 0.000091859999999 102-09-0 7597 144207348 A B Diphenylcarbonate O=C(Oc1ccccc1)Oc2ccccc2 Tox21_200150 -NCGC00257726-01 196730144 tox21-ror-cho-viability-p1 set3 4 2.65123156 0.98444351 -1.55586826 0.28912004 1.99829836 0.17922139 -2.19115034 0.28865385 0.72656999 -1.26467855 0.23429819 0.51558345 -0.93383107 -0.09704419 -2.77682446 1.2249999999E-9 2.739E-9 6.125E-9 1.37E-8 3.063E-8 6.848E-8 1.531E-7 3.4239999999E-7 7.657E-7 0.0000017119999999 0.000003828 0.000008561 0.00001914 0.0000428 0.000095709999999 607-91-0 4276 144207370 A A Myristicin C=CCc1cc2OCOc2c(c1)OC Tox21_200172 -NCGC00257765-01 196730147 tox21-ror-cho-viability-p1 set3 4 -1.45281321 0.13312427 1.65612904 2.50376745 0.65625752 -0.90073915 -0.42235712 -4.14012082 2.67512684 1.93436142 1.39175335 3.47679282 1.26930822 -0.18175142 0.65008287 1.177E-9 2.6319999999E-9 5.8849999999E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.356E-7 0.000001645 0.0000036779999999 0.000008225 0.00001839 0.000041119999999 0.00009195 1152-61-0 2723942 144207409 A A N-[(Benzyloxy)carbonyl]-L-aspartic acid O=C(O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1 Tox21_200211 -NCGC00257951-01 196730157 tox21-ror-cho-viability-p1 set3 -1.2 0.9718107383 -48.4145445346 -1.204810547 -49.6193550816 2.4063783767 0.9814587655 3.06E-8 0.63133473 -2.73573345 0.29617993 -1.62397105 -1.17686302 0.67377726 -2.31943481 -5.66466836 -17.07015996 -39.78414176 -51.6687147 -44.99561936 -42.86193076 -50.51201631 -56.37432821 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3079999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.000008269 0.000018489999999 0.00004135 0.00009245 316-42-7 3068143 144207595 D Emetine dihydrochloride Cl.Cl.COc4cc5CCN[C@H](C[C@H]1C[C@H]2c3cc(OC)c(OC)cc3CCN2C[C@@H]1CC)c5cc4OC Tox21_200397 -NCGC00258727-01 196730558 tox21-ror-cho-viability-p1 set3 4 -0.19246833 0.65971006 0.80971518 0.25386416 -1.32109625 1.37004999 1.72473386 0.64770573 0.53276517 1.62957049 -0.32116291 -0.64999567 0.57108419 1.69486618 2.37239166 1.212E-9 2.71E-9 6.061E-9 1.3549999999E-8 3.03E-8 6.7759999999E-8 1.515E-7 3.388E-7 7.576E-7 0.0000016939999999 0.0000037879999999 0.00000847 0.00001894 0.00004235 0.0000947 110-89-4 8082 144208373 FNS Piperidine C1CCCCN1 Tox21_201175 -NCGC00258342-01 196730566 tox21-ror-cho-viability-p1 set3 -3 24.0151347208 -67.2156456492 4.1277175105 -63.0879281387 4.9549173134 0.9795551192 2.006E-7 5.36566487 5.12369737 4.97385986 4.1729126 3.20454147 5.49690224 3.4491279 4.39032508 4.99550904 -2.4067283 5.59473985 0.02890319 -7.14886452 -61.85090994 -36.51755639 1.167E-9 2.609E-9 5.835E-9 1.305E-8 2.917E-8 6.524E-8 1.459E-7 3.262E-7 7.294E-7 0.000001631 0.0000036469999999 0.0000081549999999 0.00001823 0.00004077 0.00009117 52417-22-8 2723598 144207986 A A 9-Aminoacridine, monohydrochloride, monohydrate Cl.O.Nc1c3ccccc3nc2ccccc12 Tox21_200788 -NCGC00015675-08 196730568 tox21-ror-cho-viability-p1 set3 4 0.0030637859 -11.987138804 12 0.012861196 0.6 0.3266493847 0.3433998479 7.03718999 3.79734463 13.88413422 -2.59095605 2.08386329 -2.13815321 6.4861469 1.38286668 1.04197532 -0.97804 -1.7661626 -3.32261567 2.21641528 0.96895223 0.01275804 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00258015-01 196730569 tox21-ror-cho-viability-p1 set3 4 -2.44818289 -4.44385605 -4.43474236 -3.6228433 -3.27898581 -2.40611907 -2.72139685 -2.96490225 -3.56013116 -4.26214097 0.79547972 -4.70512848 -3.85172637 2.04575542 2.55533195 1.1689999999E-9 2.615E-9 5.8469999999E-9 1.3069999999E-8 2.9239999999E-8 6.537E-8 1.462E-7 3.269E-7 7.309E-7 0.0000016339999999 0.0000036539999999 0.0000081709999999 0.00001827 0.00004086 0.000091359999999 6422-86-2 22932 144207659 A F Bis(2-ethylhexyl) terephthalate CCC(CCCC)COC(=O)c1ccc(cc1)C(=O)OCC(CC)CCCC Tox21_200461 -NCGC00257100-01 196719127 tox21-ror-cho-viability-p1 set2 4 0.05938737 0.14942371 1.03288026 3.12826536 -0.41733427 3.67912478 2.12761236 6.4951423 4.03622609 0.37393016 1.413119 -4.12271055 1.91951966 0.65613204 3.07275561 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 538-93-2 10870 144213371 F Fns Isobutylbenzene CC(C)Cc1ccccc1 Tox21_303054 -NCGC00258816-01 196721985 tox21-ror-cho-viability-p1 set3 4 29.984728664 11.4363314359 -3.4363314359 8 4.9549173134 0.763558027 0.0158791865 -3.89568931 -4.58515699 -4.39682866 -3.05212881 -6.61360953 -4.29022307 1.88910964 -1.67231696 -4.9644728 -3.42520212 -2.08281859 -5.37350108 -4.80944759 6.50232856 7.31314541 1.159E-9 2.591E-9 5.794E-9 1.2959999999E-8 2.8969999999E-8 6.478E-8 1.448E-7 3.239E-7 7.2419999999E-7 0.0000016189999999 0.0000036209999999 0.0000080969999999 0.000018109999999 0.00004049 0.00009053 384-22-5 9795 144208462 A A 1-Nitro-2-(trifluoromethyl)benzene O=[N+]([O-])c1ccccc1C(F)(F)F Tox21_201264 -NCGC00254895-01 196719561 tox21-ror-cho-viability-p1 set3 4 -5.3949844 -9.87682284 0.3290398 1.65002366 0.90691976 -0.93516342 1.67011197 0.58228452 -6.00113811 -5.62298238 -2.222437 -6.86567989 -6.01055439 -5.89715399 -2.14625747 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135-77-3 67284 144211310 A Ac 1,2,4-Trimethoxybenzene COc1cc(ccc1OC)OC Tox21_300993 -NCGC00256413-01 196719120 tox21-ror-cho-viability-p1 set2 4 -0.40310303 -1.00910686 -2.56702788 -1.95918552 -3.1095321 -4.97161353 -1.95869051 0.40669973 -2.58319282 0.55352502 -2.80780971 0.16667293 0.76357968 -0.48109531 2.30711629 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.589E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.000008236 0.00001842 0.000041179999999 0.00009208 3778-73-2 3690 144213092 A A Ifosfamide O=P1(NCCCl)OCCCN1CCCl Tox21_302775 -NCGC00254416-01 196719549 tox21-ror-cho-viability-p1 set3 4 -1.25907889 2.36428337 2.14874961 -0.08811101 -2.84493617 -1.58709168 6.39542492 -1.35562947 -2.97640188 3.9451704 4.97259574 5.39244601 -2.64730704 2.80134808 -1.5113505 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-59-7 5144 144210838 A A Safrole C=CCc1ccc2OCOc2c1 Tox21_300520 -NCGC00254113-01 196719562 tox21-ror-cho-viability-p1 set3 4 6.95486418 1.98414904 16.64479458 -14.17537754 6.96687799 1.23128466 4.30735623 0.22270106 1.07177858 0.68382039 -0.48480435 -0.87820201 1.35012052 -1.39874862 -0.3703302 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-71-8 8445 144210332 A A 2-Methoxy-5-methylaniline Nc1cc(C)ccc1OC Tox21_300012 -NCGC00254055-01 196719568 tox21-ror-cho-viability-p1 set3 4 -4.04909565 8.60644855 -2.5951515 3.9903855 0.12582604 -2.33329284 4.58863731 -2.78944437 -1.03168479 -0.79205345 -2.80156955 6.26399651 1.21729682 3.57953656 8.13311417 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-92-9 311 144210444 A A Citric acid OC(=O)CC(O)(CC(O)=O)C(=O)O Tox21_300124 -NCGC00255039-01 196719969 tox21-ror-cho-viability-p1 set3 4 1.3685428777 -5.655658528 5.5 -0.155658528 4.4494702849 0.3760554777 0.2957959196 -2.62971544 10.51799721 7.24162575 3.00767113 0.49523877 4.32460593 7.59999708 11.13446862 9.83455547 -0.21107422 -1.30042164 0.63583553 -1.82148215 0.84051141 1.03068084 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119515-38-7 125098 144211458 A A Icaridin CC(OC(=O)N1CCCCC1CCO)CC Tox21_301141 -NCGC00255009-01 196719981 tox21-ror-cho-viability-p1 set3 4 0.4323311879 -6.7201754359 6.5 -0.2201754359 4.9549173134 0.4260490514 0.2645554463 0.4296938 3.9183571 5.08782285 14.46999967 3.6213396 9.28363593 9.1025078 5.22180157 -0.7820384 -1.5450355 6.37424648 -2.68347953 0.75239069 -1.88375499 6.34418351 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 149979-41-9 6259842 144211426 A C Tepraloxydim CC/C(=N\OC\C=C\Cl)C=1C(=O)CC(CC=1O)C2CCOCC2 Tox21_301109 -NCGC00254622-01 196719990 tox21-ror-cho-viability-p1 set3 4 0.0012184748 17.3803695519 -19.6593045279 -2.278934976 0.5 0.3678805549 0.3037335953 -5.7848476 -18.04942044 -7.11501654 -2.00475418 -9.03732168 -3.32790276 -2.19679831 -1.10269604 -1.63319071 -6.57451841 -1.31619961 -1.76069793 -0.64911248 -0.81879125 -6.96941643 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 95737-68-1 91753 144211033 A A Pyriproxyfen CC(COc2ccc(Oc1ccccc1)cc2)Oc3ccccn3 Tox21_300716 -NCGC00254942-01 196720382 tox21-ror-cho-viability-p1 set3 4 -5.84531731 -7.10597955 -1.62445858 -0.80903105 -3.83872644 0.62496578 -0.48214985 -2.31956916 -4.95166576 -4.84411188 -0.30681303 -4.29695342 -2.48878175 -0.80193515 -2.90649252 1.015E-9 2.269E-9 5.073E-9 1.134E-8 2.536E-8 5.6719999999E-8 1.268E-7 2.836E-7 6.341E-7 0.0000014179999999 0.000003171 0.000007089 0.00001585 0.00003545 0.00007926 76578-14-8 53518 144211357 A A Quizalofop-ethyl O=C(OCC)C(C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2 Tox21_301040 -NCGC00255035-01 196720385 tox21-ror-cho-viability-p1 set3 4 -4.99024033 15.88559247 5.14856799 1.46307141 3.62541971 12.22303112 4.90470194 4.07090209 4.47646733 0.06484399 -2.20126422 3.08777162 -0.07246726 0.9792263 2.79058044 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-59-1 7996 144211453 Ac 2-Isopropoxyethanol CC(C)OCCO Tox21_301136 -NCGC00254338-01 196720393 tox21-ror-cho-viability-p1 set3 -2.2 61.130564862 -66.9934111935 -5.641153498 -72.6345646915 2.7202212143 0.8501249273 0.0022409449 -14.14940841 -13.58810078 -6.30696516 -18.11796629 -10.23819987 -8.94626502 -3.85948244 -4.1377737 -8.18685664 -6.32080027 -4.04448529 0.62777385 -7.19577706 -23.33149506 -55.78376113 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-58-4 2374 144210703 A F 2,5-Di-tert-butylbenzene-1,4-diol CC(C)(C)c1cc(O)c(cc1O)C(C)(C)C Tox21_300385 -NCGC00090698-04 196719074 tox21-ror-cho-viability-p1 set2 4 0.4855773367 -4.528678628 1.5 -3.028678628 4.9549173134 0.5509119096 0.1369925639 1.59935061 0.99978512 0.11960092 0.82866138 -0.11879764 4.39848698 0.81737074 2.79591485 -5.85723219 -4.76964552 1.25169237 -5.62355098 -2.37770506 -1.67320406 -2.67767923 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00255005-01 196720311 tox21-ror-cho-viability-p1 set3 4 9.6885416101 -13.658835444 2.5 -11.158835444 4.4494702849 0.4291278704 0.2607194962 0.06262915 -0.35307775 0.93531311 2.6550779 5.43131283 -1.31222223 8.0110998 -1.22677612 2.95509179 6.34995881 4.73114825 1.84266841 -23.88236287 0.11155201 1.83312103 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3397-62-4 18831 144211422 A A 2-Chloro-4,6-diamino-1,3,5-triazine Nc1nc(N)nc(Cl)n1 Tox21_301105 -NCGC00254507-01 196719499 tox21-ror-cho-viability-p1 set3 4 0.0385707789 10.5 9 19.5 1.0999999999 0.3643227049 0.3223778492 12.89533793 6.29668712 12.09960204 15.30554701 12.93696659 9.59986256 19.21442966 23.17518335 20.00891952 23.6508681 24.90275901 18.50891682 19.53060963 7.12351598 5.53889775 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2104-64-5 16421 144210742 A A EPN S=P(OCC)(Oc1ccc(cc1)[N+]([O-])=O)c2ccccc2 Tox21_300424 -NCGC00256609-01 196719072 tox21-ror-cho-viability-p1 set2 4 0.38649601 -1.21582168 -2.85812191 -1.20101031 -1.16086084 2.42417074 2.42183455 0.43827969 0.07931927 -0.20161489 2.96204615 3.93049486 0.42284249 0.50312841 2.41226865 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 280-57-9 9237 144213225 Fns 1,4-Diazabicyclo[2.2.2]octane C1CN2CCN1CC2 Tox21_302908 -NCGC00254761-01 196719497 tox21-ror-cho-viability-p1 set3 4 1.3685428777 -6.5615071879 4.5 -2.0615071879 1.2221 0.3206377277 0.3642456558 -5.05125599 4.54745781 5.71642976 4.72693303 8.4132102 10.03383292 4.59213146 -1.1936437 4.41752836 0.75697205 -1.25426187 -1.09509515 1.19257789 -4.38530149 5.24704463 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-90-1 6909 144211175 Symclosene ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O Tox21_300858 -NCGC00254627-01 196719921 tox21-ror-cho-viability-p1 set3 4 0.0030575555 18.745852004 -20.245852004 -1.5 0.5 0.6316924662 0.0757560875 -14.21095427 -15.20487667 -4.61449608 -2.94140287 -7.95485525 -8.90420487 -0.75833657 -5.24641413 -6.1891784 -1.27514023 -2.99475945 -0.51400245 -1.09278188 -3.12039819 1.46073429 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 1698-60-8 15546 144211038 A A Chloridazon O=C2C(Cl)=C(N)C=NN2c1ccccc1 Tox21_300721 -NCGC00253969-01 196719926 tox21-ror-cho-viability-p1 set3 4 19.3311819617 -7.631447552 -0.5 -8.131447552 1.0641 0.3220292307 0.3488498363 -4.99612227 -7.45043116 -0.02728163 0.85466596 -1.47352784 -0.42628181 3.16394146 3.16326902 2.49783755 -0.27835578 -3.02553889 -6.03162189 -1.87182689 -4.51368951 -8.44287296 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 220860-50-4 9831581 144210528 A A CP-457920 CCOc1ccc2NC=C(C(=O)c2n1)C(=O)NCc3ccccc3 Tox21_300208 -NCGC00254391-01 196719937 tox21-ror-cho-viability-p1 set3 2.4 18.5967402155 31.650645916 -1.150645916 30.5 4.0949729863 0.9672069952 0.0000023985 -0.43460757 2.63984333 -2.97668302 -0.63946589 -0.70592134 -2.9783636 -1.2533279 -1.78483875 -3.04220493 0.51491411 -0.48537781 -0.91848525 11.12059295 28.33408784 -0.58019585 1.038E-9 2.321E-9 5.191E-9 1.161E-8 2.595E-8 5.803E-8 1.2979999999E-7 2.902E-7 6.488E-7 0.000001451 0.000003244 0.0000072539999999 0.000016219999999 0.00003627 0.00008111 NOCAS_47349 53316398 144210789 A A AVE8488 Cl.O.Fc1ccc(cc1)[C@H]5CN(C)CCN5Cc2cc(co2)c3ccc4nc(O)oc4c3 Tox21_300471 -NCGC00254424-01 196720338 tox21-ror-cho-viability-p1 set3 4 4.12264249 -4.74970831 9.00785713 -3.30481647 8.74115336 -1.67989014 9.83800363 5.27403624 -3.22020184 3.17029635 2.25264297 8.00966611 7.95099802 1.62389625 1.68153134 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 73-22-3 6305 144210677 Ac Ac l-Tryptophan O=C(O)[C@@H](N)Cc2cnc1ccccc12 Tox21_300359 -NCGC00090885-03 196720351 tox21-ror-cho-viability-p1 set3 4 14.46328521 0.78112135 4.68166529 8.29969704 1.85898085 3.41932045 -0.07047855 2.0316537 4.49725182 -2.94155742 1.83888396 2.77671834 8.34321141 -0.04366998 -0.39307677 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00254001-01 196720750 tox21-ror-cho-viability-p1 set3 4 0.0038570779 17.650276356 -18.150276356 -0.5 0.6 0.8566798986 0.0018543393 -10.80731915 -13.45856363 -7.34836841 -3.61362521 -5.69547721 -4.64921647 -0.3772966 -2.26971239 -2.97678008 0.98244388 -0.81644089 -1.04420291 -0.35127256 1.00401152 -0.93564491 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1120-21-4 14257 144210396 FNS Undecane CCCCCCCCCCC Tox21_300076 -NCGC00254036-01 196720770 tox21-ror-cho-viability-p1 set3 4 34.3762428541 13.5259855159 -4.0259855159 9.5 1.4487170999 0.5589067069 0.1289559382 -4.3353327 -3.20924837 0.06269686 -13.35498793 -5.23170434 -5.65625211 -2.43004408 -3.6524775 -1.21989121 -1.08453859 -4.29111452 -2.2715076 -0.38553651 3.7645935 6.99581689 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-61-6 8441 144210459 A A Dimethyl terephthalate COC(=O)c1ccc(cc1)C(=O)OC Tox21_300139 -NCGC00016705-10 196704344 tox21-ror-cho-viability-p1 set1 4 0.53893878 -4.90985966 -1.42764514 -3.43943221 -5.99048309 -5.77562888 -6.61001152 -0.010775 -3.20106307 -0.3512278 -4.4358049 -2.50206281 -1.57224951 -0.6371444 -4.42621932 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13710-19-5 610479 170465638 A Tolfenamic acid Cc2c(Nc1ccccc1C(=O)O)cccc2Cl Tox21_110570_1 -NCGC00167436-02 196704753 tox21-ror-cho-viability-p1 set1 -2.1 26.6032120037 -107.9212477848 0.9624202009 -106.9588275839 3.2474983358 0.995518261 0 0.57290359 -1.10183544 0.60613108 -0.91698593 1.68123342 2.80984109 0.72837044 3.33472683 4.42441399 0.00686532 -1.1132149 2.30160846 -2.05437329 -32.63088545 -90.951384 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123524-52-7 65948 170465756 A Azelnidipine [O-][N+](=O)c1cccc(c1)C2C(C(=O)OC(C)C)=C(C)NC(N)=C2C(=O)OC3CN(C3)C(c4ccccc4)c5ccccc5 Tox21_112440_1 -NCGC00260613-01 196703927 tox21-ror-cho-viability-p1 set1 4 2.39283906 1.81161184 3.0883245 -0.26984884 3.88577091 0.347958 -10.09159869 1.05863022 0.52711834 3.01725394 9.15055425 2.40903938 0.0555483 2.20797373 1.3277986 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49509 144210266 M M NTP Mix16 AR1 8-EQC Tox21_203068 -NCGC00259932-01 196703945 tox21-ror-cho-viability-p1 set1 -2.2 30.70018354 -47.8509875993 -0.923265321 -48.7742529203 1.98874246 0.9811525108 3.37E-8 0.72168616 -0.93014993 1.41475819 -0.67306047 -1.83896717 -1.81383712 -4.81123149 -1.08562895 -1.11696898 -0.61323131 -0.53006567 -3.30712325 -15.51501306 -29.47277511 -47.81789502 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.305E-7 7.3889999999E-7 0.0000016519999999 0.0000036949999999 0.000008262 0.000018469999999 0.00004131 0.00009237 2921-88-2 2730 144209581 A B Chlorpyrifos Clc1cc(Cl)c(Cl)nc1OP(=S)(OCC)OCC Tox21_202383 -NCGC00016697-04 196704342 tox21-ror-cho-viability-p1 set1 4 0.65759384 -1.67553463 2.48856167 1.84546673 -2.11588007 0.97362372 1.08261574 3.57623771 1.84242147 -0.73680311 1.24686097 4.10218411 0.20166714 3.92879317 7.82588892 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13171-25-0 83201 170465797 A Trimetazidine dihydrochloride Cl.Cl.COc2ccc(CN1CCNCC1)c(OC)c2OC Tox21_110568_1 -NCGC00015209-11 196704346 tox21-ror-cho-viability-p1 set1 4 -5.27339705 -6.0700908 -7.50370311 -3.73681893 -4.66962057 -5.05213664 -1.25012423 -0.2090298 -6.15771364 -6.24419405 -3.83268143 -1.36616673 -5.35327171 -4.61465994 -3.79018055 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6055-19-2 22420 170464624 A Cyclophosphamide O.O=P1(NCCCO1)N(CCCl)CCCl Tox21_110100_1 -NCGC00262950-01 196704348 tox21-ror-cho-viability-p1 set1 4 -4.97516012 3.78667378 4.92591323 -1.80377241 -3.98637057 -4.30346921 -0.01864774 1.30109368 -3.80504408 -1.56819429 -1.08856941 3.25591461 -2.51066452 -2.19804043 -6.93377877 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 86487-64-1 68604 170466108 A A Setoperone Fc1ccc(cc1)C(=O)C2CCN(CC2)CCC4=C(C)N=C3SCCN3C4=O Tox21_113942 -NCGC00262918-01 196704353 tox21-ror-cho-viability-p1 set1 4 0.30259223 3.11294073 1.87720587 1.12870714 0.65182718 0.10102376 1.04292511 4.26561516 3.58360727 0.67501418 -2.14779716 -0.27994019 1.04989171 3.93261327 0.50545566 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 300-22-1 9302 170466086 F A Medazomide O=C(N)C=1CCC(=O)N(C)N=1 Tox21_113915 -NCGC00016878-04 196704764 tox21-ror-cho-viability-p1 set1 4 1.38277676 -1.82422222 -2.61840298 -0.86204353 0.92859839 -24.48357419 -0.97042717 -3.39592685 -1.99342808 -2.01178732 -0.74902096 -12.48980041 -3.00467007 0.08323117 1.77218135 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55837-27-9 4849 170465869 A Piretanide O=C(O)c2cc(c(Oc1ccccc1)c(c2)N3CCCC3)S(N)(=O)=O Tox21_110661_1 -NCGC00013130-04 196704775 tox21-ror-cho-viability-p1 set1 4 -2.24992097 -1.28116891 -1.02221719 1.7958676 0.44171858 -3.21021086 1.33393833 0.33989621 -0.26824788 1.53618988 1.40643248 -4.10545547 -3.96201282 -6.74895646 -7.76116948 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5424-37-3 79472 170466399 A Aminoquinuride dihydrochloride Cl.Cl.Nc1cc(C)nc2ccc(cc12)NC(=O)Nc3ccc4nc(C)cc(N)c4c3 Tox21_110013_1 -NCGC00163843-03 196704778 tox21-ror-cho-viability-p1 set1 4 -0.88229478 -1.64006377 0.42404649 -1.02274816 -0.11453107 0.93466041 -1.51425264 -0.43398422 -0.02252262 0.89277667 -0.38375355 -5.15649672 -1.02330647 0.1931136 -0.38179961 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00015251-13 196705176 tox21-ror-cho-viability-p1 set1 4 18.8336317891 -15.615486624 3 -12.615486624 2.2526478767 0.9118338514 0.0001735949 3.34964244 4.59179597 0.20304529 1.83685484 2.07347448 3.64119258 2.20944882 2.92578114 3.72264059 3.29929118 5.59446012 2.18719418 0.28708915 -5.75274376 -10.51290552 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23593-75-1 2812 170464807 F Clotrimazole Clc1ccccc1C(c2ccccc2)(c3ccccc3)n4ccnc4 Tox21_110111_1 -NCGC00259113-01 196722005 tox21-ror-cho-viability-p1 set3 4 24.4355457375 20.851853804 -8.851853804 12 1.8579476909 0.6736902604 0.0615031183 -13.20987817 -5.50131701 -9.80142937 -3.31455095 -7.55715994 -12.94127758 -10.1825233 -9.4569923 -10.95218543 -7.97014459 -3.61679974 -5.55500541 -3.28306651 6.89949182 -1.5439499 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.324E-8 2.959E-8 6.618E-8 1.4799999999E-7 3.309E-7 7.399E-7 0.0000016539999999 0.0000036989999999 0.000008272 0.0000185 0.00004136 0.00009248 53-03-2 5865 144208762 A A Prednisone OCC(=O)[C@@]3(O)CC[C@H]2[C@@H]4CCC1=CC(=O)C=C[C@]1(C)[C@H]4C(=O)C[C@@]23C Tox21_201564 -NCGC00258910-01 196721209 tox21-ror-cho-viability-p1 set3 4 0.0477624269 -20.69475948 -3.31328673 -11.09345796 -9.01037886 -4.05988316 -2.40621883 -4.59431655 -2.84326286 -0.13415719 -0.55169786 -2.65720549 -1.08261302 0.54400617 -2.86321224 3.60725678 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.295E-7 7.367E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.000041179999999 0.00009209 134-29-2 8638 144208556 A B 2-Methoxyaniline hydrochloride Cl.Nc1ccccc1OC Tox21_201358 -NCGC00259872-01 196721222 tox21-ror-cho-viability-p1 set3 4 -2.45368558 -3.37936628 -3.04992308 7.59007863 -3.73046365 -7.0342267 -7.15052188 -7.37081911 -7.21673327 -1.81554959 -7.33559068 -5.37861366 -1.6996699 0.19938407 0.20007639 1.189E-9 2.6589999999E-9 5.946E-9 1.3289999999E-8 2.973E-8 6.647E-8 1.486E-7 3.3239999999E-7 7.4319999999E-7 0.000001662 0.000003716 0.000008309 0.000018579999999 0.000041549999999 0.0000929 122-66-7 31222 144209521 D 1,2-Diphenylhydrazine N(Nc1ccccc1)c2ccccc2 Tox21_202323 -NCGC00259183-01 196721606 tox21-ror-cho-viability-p1 set3 4 -0.16743169 -15.519928 7.14142406 -7.14661534 4.93469236 1.52619032 -0.21115545 3.79771894 0.68092321 2.82043569 1.00497522 3.10202184 0.69948622 9.71666062 -10.64689243 1.188E-9 2.6549999999E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 13071-79-9 25670 144208832 A Fc Terbufos CC(C)(C)SCSP(=S)(OCC)OCC Tox21_201634 -NCGC00163771-03 196722412 tox21-ror-cho-viability-p1 set3 4 0.0432771257 -12.669885448 10 -2.669885448 4.9549173134 0.5472775866 0.1533831615 4.89134235 11.42669381 12.36437313 9.80782433 9.52252631 -2.6108452 -2.05138692 1.83028442 -3.31436976 6.50470839 -11.02400928 5.81305295 -12.22490454 -4.11884558 7.01343486 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00015009-16 196722413 tox21-ror-cho-viability-p1 set3 4 3.30690416 4.21123995 -0.93217701 0.32782173 22.093023 3.71962254 -1.50555177 2.80836555 9.88987807 8.06787828 7.20561053 6.86179613 8.43214818 13.75086393 11.40166783 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 504-24-5 1727 170466526 Z 4-Aminopyridine Nc1ccncc1 Tox21_110065_1 -NCGC00274084-01 196722419 tox21-ror-cho-viability-p1 set3 4 13.3331902297 15.129933236 0.870066764 16 1.8079476909 0.7987341816 0.0082361508 2.08443823 1.2695804 1.4737 1.89562363 2.46942461 1.3888557 3.40491692 -1.56981738 -3.44161103 -2.47913741 1.80257683 0.15506476 8.60508807 8.81404251 15.90465906 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 443-79-8 791 170465505 Z DL-Isoleucine CC(CC)C(N)C(=O)O Tox21_112765_1 -NCGC00016337-05 196722425 tox21-ror-cho-viability-p1 set3 4 2.51219234 2.47582255 4.42446325 2.96227246 3.55824651 3.98606027 4.52588611 -20.56625066 11.03912466 11.21488358 5.16751827 8.14191671 2.77086439 5.47105052 10.59174128 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 85-73-4 4806 170466178 A Phthalylsulfathiazole O=S(=O)(Nc1nccs1)c3ccc(NC(=O)c2ccccc2C(=O)O)cc3 Tox21_110380_1 -NCGC00160389-09 196722829 tox21-ror-cho-viability-p1 set3 2.2 29.8492948118 36.4997600255 1.8976967819 38.3974568074 3.1319983358 0.7671255634 0.0147767675 1.29127052 4.23358547 3.73773668 4.94380226 2.84710281 3.45515978 2.94058553 4.18824459 4.8484118 -11.75690975 5.70017185 0.16616422 0.96180784 11.24795706 30.77303266 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52315-07-8 2912 170466657 F Cypermethrin Cl/C(Cl)=C/C3C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C Tox21_113579_1 -NCGC00257453-01 196719141 tox21-ror-cho-viability-p1 set2 4 2.09476744 1.19938454 -0.33513817 3.19010614 0.59247736 0.53556591 1.63985417 0.45460628 1.52671326 0.96558332 5.97332558 1.06293973 2.27354498 4.34694845 -1.0045579 1.9469999999E-10 4.353E-10 9.733E-10 2.176E-9 4.8659999999E-9 1.088E-8 2.433E-8 5.4409999999E-8 1.2169999999E-7 2.72E-7 6.083E-7 0.00000136 0.0000030409999999 0.000006801 0.00001521 25340-17-4 8657 144213777 F Fns Diethylbenzene CCc1ccccc1CC Tox21_303467 -NCGC00257384-01 196718725 tox21-ror-cho-viability-p1 set2 4 -0.88843019 0.87262042 2.38243082 4.91052692 -1.64464424 5.04438567 2.36969242 4.73148343 2.97496115 2.21675049 -0.1201376 1.7184625 4.22088752 2.25485781 2.71564365 2.2209999999E-9 4.966E-9 1.11E-8 2.483E-8 5.552E-8 1.242E-7 2.776E-7 6.208E-7 0.0000013879999999 0.000003104 0.00000694 0.00001552 0.0000347 0.000077599999999 0.0001735 68609-97-2 17163 144213762 B Ac C12-14-Alkyl glycidyl ether CCCCCCCCCCCCOCC1CO1 Tox21_303452 -NCGC00256765-01 196718734 tox21-ror-cho-viability-p1 set2 4 3.4765319821 6.296987056 0.203012944 6.5 4.9549173134 0.660499426 0.0588664554 2.40059519 0.95571937 -0.69437026 1.52549048 -1.40857053 3.33564985 -1.64787907 2.0854467 -1.84921003 -3.16415588 0.16449056 7.48128275 3.30547037 8.53927994 6.92177358 8.115E-10 1.8149999999E-9 4.0569999999E-9 9.073E-9 2.029E-8 4.536E-8 1.014E-7 2.268E-7 5.072E-7 0.0000011339999999 0.000002536 0.00000567 0.000012679999999 0.00002835 0.0000634 9016-87-9 7570 144212902 F Fns Polymethylene polyphenyl isocynate O=C=N/c1ccc(cc1)Cc2ccc(/N=C=O)cc2 Tox21_302585 -NCGC00256627-01 196718741 tox21-ror-cho-viability-p1 set2 4 -0.19902646 -3.48719035 -5.33930333 -0.02853725 -4.45788824 -3.54195407 -4.46947824 -1.3531497 -0.82944817 0.52130772 -2.51433904 0.1295182 1.54020707 -0.71313118 -1.13251046 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-86-7 7531 144212850 A A 2-Methyl-1-phenylpropan-2-ol OC(C)(C)Cc1ccccc1 Tox21_302533 -NCGC00090972-03 196722355 tox21-ror-cho-viability-p1 set3 4 5.3080386368 12.138289628 0.861710372 13 0.8999999999 0.6276007978 0.0784864187 -2.6309316 4.81950203 3.63513009 3.7437989 2.82067978 -5.94857469 1.01759409 0.88095282 -0.67451932 4.47783802 4.49223072 7.54634761 7.56290819 8.27226428 12.68716536 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-21-5 612 170466852 Fc Lactic acid O=C(O)C(C)O Tox21_111049_1 -NCGC00259296-01 196721572 tox21-ror-cho-viability-p1 set3 4 1.2271612321 -10.414735248 -1.5 -11.914735248 0.5 0.3247713751 0.359664776 -7.04453614 -0.90614085 0.60351689 5.41843554 -4.55518836 -6.42896777 -5.91585637 -6.49404556 -6.79905322 -4.18451571 -5.37287933 -6.56461761 -19.92894604 -5.23133843 -3.37306307 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.629E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008287 0.00001853 0.000041429999999 0.00009265 89-25-8 4021 144208945 A C 1-Phenyl-3-methyl-5-pyrazolone O=C2CC(C)=NN2c1ccccc1 Tox21_201747 -NCGC00259514-01 196721574 tox21-ror-cho-viability-p1 set3 4 0.0150590877 5.114384132 -5.614384132 -0.5 4.9549173134 0.4998236792 0.1985783545 -0.52150564 -10.09532011 -5.38824286 -3.94825316 0.97936607 -1.40915242 -1.44152842 -0.47736579 0.02733302 -0.21457667 -1.2717088 -1.50932877 1.05959486 -1.75854777 -8.31984317 1.1609999999E-9 2.595E-9 5.803E-9 1.298E-8 2.9019999999E-8 6.488E-8 1.451E-7 3.244E-7 7.254E-7 0.000001622 0.0000036269999999 0.0000081099999999 0.000018129999999 0.000040549999999 0.00009067 86-50-0 2268 144209163 C C Azinphos-methyl COP(=S)(OC)SCN1N=Nc2ccccc2C1=O Tox21_201965 -NCGC00259879-01 196721961 tox21-ror-cho-viability-p1 set3 4 21.7120023439 8.8551124839 -4.3551124839 4.5 4.9549173134 0.412948777 0.2783227514 -4.37792606 1.60160082 0.51565289 -4.36534863 -5.7584293 -10.29592707 -5.98984323 -3.94837087 -4.61961118 -6.2627202 -5.38156274 -5.88028226 -1.30706308 4.06273933 -9.03687677 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.476E-7 3.3009999999E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008253 0.00001846 0.00004127 0.000092279999999 302-79-4 444795 144209528 B C all-trans-Retinoic acid CC=1CCCC(C)(C)C=1/C=CC(\C)=C\C=C\C(\C)=C\C(=O)O Tox21_202330 -NCGC00095188-05 196722354 tox21-ror-cho-viability-p1 set3 4 0.3757803576 -15.4166301719 4.5 -10.9166301719 3.9294729863 0.6941232884 0.0498734788 10.94648858 -0.06082757 10.821727 -1.77845627 4.57374543 -4.75801652 10.3475453 4.63501047 -2.10732334 -10.8725363 -14.09719181 -11.9003477 -12.13449023 -5.04022677 5.63006142 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 102625-70-7 4679 170466337 A Pantoprazole COc3c(OC)ccnc3CS(=O)c1nc2cc(ccc2n1)OC(F)F Tox21_111477_1 -NCGC00263839-02 196722363 tox21-ror-cho-viability-p1 set3 4 0.3757803576 -8.752561304 4.5 -4.252561304 4.4494702849 0.7945310029 0.0124093678 5.56552286 5.73437058 4.14631622 1.03776429 5.07185125 5.4712087 2.71823958 5.8757977 -0.1452769 -6.78447702 -5.61610833 -3.14033934 -6.87713442 0.48481094 13.09124799 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55870-64-9 60196308 170465779 F Pentisomicin N[C@@H]3CC=C(CN)O[C@@H]3O[C@H]2[C@@H](O)[C@@H](O[C@H]1OC[C@@](C)(O)[C@H](NC)[C@H]1O)[C@H](N)C[C@@H]2N Tox21_112770_1 -NCGC00091163-03 196722776 tox21-ror-cho-viability-p1 set3 4 0.968854161 -9.09154684 0 -9.09154684 0.9999999999 0.846478008 0.0039032431 -2.33379027 1.04166027 0.84467316 -0.38389773 0.08914457 1.40572214 -3.20052382 -3.12727832 -2.62198242 -6.61154983 -5.89894518 -9.42908373 -10.4929557 -6.63521446 10.66787342 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00258917-01 196721197 tox21-ror-cho-viability-p1 set3 4 -2.83831652 -2.14277151 -9.93383457 -2.99136022 -0.5646729 -2.96251973 -4.08145586 -3.95851698 -1.35565342 3.98946112 -2.7023765 -6.6507524 -6.05323983 -3.98849127 -2.8760385 1.2069999999E-9 2.699E-9 6.0359999999E-9 1.3499999999E-8 3.0179999999E-8 6.7479999999E-8 1.509E-7 3.3739999999E-7 7.5449999999E-7 0.000001687 0.0000037719999999 0.000008435 0.00001886 0.00004218 0.00009431 2231-57-4 2724189 144208563 Thiocarbazide NNC(=S)NN Tox21_201365 -NCGC00254968-01 196720793 tox21-ror-cho-viability-p1 set3 4 0 1.35426922 13.18201874 -4.33364964 11.93337577 20.98360444 13.69011288 16.09633559 5.3125194 26.50670733 15.87863708 5.31427262 15.09798406 -0.93313365 -4.54787481 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65733-18-8 5282198 144211383 FC (7S)-Hydroprene C\C(C=C/C[C@@H](C)CCCC(C)C)=C/C(=O)OCC Tox21_301066 -NCGC00254164-01 196720795 tox21-ror-cho-viability-p1 set3 4 5.09055863 1.90179635 10.63169335 12.1182086 5.60716916 -2.01489979 6.66526494 0.14539338 4.74467418 0.29008212 4.48131735 2.2995603 -5.63401131 11.09973476 1.32081342 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 90-04-0 7000 144210373 A Ac 2-Anisidine Nc1ccccc1OC Tox21_300053 -NCGC00258826-01 196721191 tox21-ror-cho-viability-p1 set3 4 -8.2301594 -14.81427757 -11.28952884 0.21975845 -5.96800842 -17.90182369 -12.57511318 -7.75472982 -7.41827531 -2.73092951 -5.9444353 -14.75432758 -11.76734247 -7.79841418 1.65886949 1.194E-9 2.671E-9 5.972E-9 1.335E-8 2.986E-8 6.677E-8 1.493E-7 3.3389999999E-7 7.465E-7 0.000001669 0.000003733 0.000008347 0.00001866 0.000041729999999 0.00009332 576-26-1 11335 144208472 A A 2,6-Dimethylphenol Cc1cccc(C)c1O Tox21_201274 -NCGC00259901-01 196721582 tox21-ror-cho-viability-p1 set3 4 -6.08622222 -0.16613334 -2.9232843 3.88006243 -3.83558724 -8.42031811 -8.33580629 -7.11898593 -6.05519615 -7.47505529 -6.24303223 -5.28506765 -6.39250344 2.1114784 1.23075192 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.4699999999E-7 3.2859999999E-7 7.3479999999E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004108 0.00009185 27470-51-5 5362 144209550 A A Suxibuzone O=C(O)CCC(=O)OCC2(CCCC)C(=O)N(c1ccccc1)N(C2=O)c3ccccc3 Tox21_202352 -NCGC00259166-01 196706845 tox21-ror-cho-viability-p1 set1 4 -2.94483214 0.95863147 -9.3312598 -6.67313702 1.22011473 -3.14456817 -10.70178368 0.72737854 -9.46133372 0 2.00057987 -6.77324743 1.13994441 -5.31320342 -4.83017303 1.19E-9 2.661E-9 5.95E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003719 0.000008315 0.00001859 0.00004158 0.00009297 62-73-7 3039 144208815 D Dichlorvos COP(=O)(OC)O\C=C(\Cl)Cl Tox21_201617 -NCGC00259777-01 196706430 tox21-ror-cho-viability-p1 set1 -2.4 75.3182330836 -28.727061864 -3.5 -32.227061864 4.9549173134 0.6842617562 0.0455589101 -3.05228318 -4.28591501 -1.78154169 -6.53237835 -2.31634365 -6.43068353 -5.20892331 -7.61603814 -0.92685739 0 4.27997587 -5.05187316 -10.1618375 0.4827606 -25.18921822 1.159E-9 2.592E-9 5.797E-9 1.2959999999E-8 2.898E-8 6.481E-8 1.449E-7 3.241E-7 7.246E-7 0.00000162 0.000003623 0.000008101 0.00001812 0.00004051 0.000090579999999 33820-53-0 36606 144209426 A A Isopropalin [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)C(C)C Tox21_202228 -NCGC00259885-01 196706431 tox21-ror-cho-viability-p1 set1 -2.1 62.1265755315 -75.6448772383 1.9872941515 -73.6575830868 3.9899729863 0.9389814009 0.0000247361 1.3277064 5.72455253 -0.48128985 1.89065031 4.83806554 -0.61057036 2.2754639 2.63371129 8.2862977 8.77109948 -8.77488753 -0.29986812 -0.45144805 -10.18783655 -61.48301749 1.196E-9 2.674E-9 5.9789999999E-9 1.337E-8 2.989E-8 6.684E-8 1.4949999999E-7 3.3419999999E-7 7.4729999999E-7 0.000001671 0.000003737 0.000008355 0.000018679999999 0.000041779999999 0.000093409999999 55285-14-8 41384 144209534 A D Carbosulfan CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12 Tox21_202336 -NCGC00259290-01 196706437 tox21-ror-cho-viability-p1 set1 4 0.10465148 -0.4037052 -0.31952951 5.03893704 2.00450233 0.33744477 2.73340822 -1.01892152 0.89014395 8.27910255 4.39980823 2.32655776 -1.18257929 3.11639099 3.68553876 1.211E-9 2.7079999999E-9 6.056E-9 1.3539999999E-8 3.028E-8 6.771E-8 1.514E-7 3.385E-7 7.57E-7 0.000001693 0.0000037849999999 0.0000084629999999 0.00001892 0.00004232 0.00009462 51-52-5 657298 144208939 A A 6-Propyl-2-thiouracil S=C1NC(CCC)=CC(=O)N1 Tox21_201741 -NCGC00160514-02 196704380 tox21-ror-cho-viability-p1 set1 -2.4 29.8492948118 -31.8511765839 0.5 -31.3511765839 2.3531167061 0.889974234 0.0005199027 -0.3143621 -3.41919083 6.79082448 -0.79993008 1.07807317 0.97293577 -1.07149097 0.59626332 -0.61390844 0.98395064 0.31502906 1.05396168 -3.35461988 -7.62248972 -23.20931382 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58186-27-9 3686 170465611 A Idebenone COC1=C(OC)C(=O)C(C)=C(CCCCCCCCCCO)C1=O Tox21_111864_1 -NCGC00091009-05 196704371 tox21-ror-cho-viability-p1 set1 4 1.33289397 0.09871047 0.49848323 3.72699772 3.12720709 0.5241628 0.86226766 0.65560226 3.10142418 0.10773518 0.19912933 1.17719232 0.86705359 0.01426917 -5.9830716 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00164567-02 196704374 tox21-ror-cho-viability-p1 set1 4 -0.62330208 -3.21005511 0.16691851 0.5716611 2.12959497 -0.32294742 -0.08674408 0.33932372 -6.02454095 -0.66944301 0.33524333 4.63341377 0.89370439 0.8029806 -0.97226525 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 129273-38-7 115367 170466096 A Perospirone hydrochloride Cl.O=C4N(CCCCN1CCN(CC1)c3nsc2ccccc23)C(=O)[C@@H]5CCCC[C@H]45 Tox21_112196_1 -NCGC00025262-02 196704376 tox21-ror-cho-viability-p1 set1 4 42.1632496022 -11.253804432 -0.5 -11.753804432 1.34431 0.3367155294 0.3362978074 0.30732386 0.84776553 -3.6009114 -3.76928494 0.49665247 -2.66843056 0.83995891 -0.49008176 0.43130476 1.94197997 0.74049082 0.08881883 -7.27381965 0.38429955 -8.12817036 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 81098-60-4 2769 170465200 A Cisapride Clc1cc(c(OC)cc1N)C(=O)NC3CCN(CCCOc2ccc(F)cc2)CC3OC Tox21_110699_1 -NCGC00164344-04 196704382 tox21-ror-cho-viability-p1 set1 4 1.97409493 1.52981683 1.47662596 1.07420057 0.29479922 -0.18537975 0.26657486 0.61521306 2.27252928 1.99393847 -2.01324525 0.99771377 1.8021592 0.36832963 3.66395115 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87-90-1 6909 170465634 F Symclosene ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O Tox21_112103_1 -NCGC00163927-04 196704787 tox21-ror-cho-viability-p1 set1 4 -1.25502896 -3.02006661 -0.62521724 0.48116047 -1.7164532 0.01463226 0.83816152 -0.10873919 -0.16078725 -0.69346241 -0.91392325 0.07927436 0.66361148 -0.3061037 -1.09472365 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00018243-09 196705197 tox21-ror-cho-viability-p1 set1 4 4.70493477 3.4261829 3.00087039 2.2876182 4.09316096 2.84101035 -0.20368118 0.79207786 1.01077938 4.77658706 2.8590289 2.70134256 1.68996128 2.19983837 3.87119774 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-68-1 5327 170464893 A Sulfamethazine O=S(=O)(Nc1nc(C)cc(C)n1)c2ccc(N)cc2 Tox21_110847_1 -NCGC00017112-10 196705206 tox21-ror-cho-viability-p1 set1 -1.2 13.3331902297 -33.900613712 -2.5 -36.400613712 2.8472712143 0.9700786567 4.792E-7 -4.1292504 -3.54974879 -4.08236884 -4.09294438 -0.4763392 0.22158505 -2.37626997 -3.02354171 -1.49102159 0.86686236 -4.34003417 -0.90395876 -12.75181309 -28.2133825 -37.91730595 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 41621-49-2 38911 170464708 D Ciclopirox CC=2C=C(C1CCCCC1)N(O)C(=O)C=2.NCCO Tox21_110781_1 -NCGC00356981-01 196724749 tox21-ror-cho-viability-p1 set3 4 0.0432771257 15.647401728 -7.147401728 8.5 0.4 0.7035212184 0.0367766327 -4.28950144 -3.59275324 -2.77169601 -1.57398684 1.46497962 0.54945807 3.04572397 4.86831043 6.36554298 4.21673578 4.82666923 6.78680065 2.10155366 4.22545291 15.04210413 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51384-51-1 4171 251919670 A Metoprolol CC(C)NCC(O)COc1ccc(cc1)CCOC Tox21_303972 -NCGC00357153-01 196724348 tox21-ror-cho-viability-p1 set3 4 0.5448267328 -5.0018266759 4.5 -0.5018266759 4.9549173134 0.3729847895 0.2991990451 -2.23967931 4.26566158 1.03589015 3.97570695 12.4460022 1.52632359 9.20981405 5.66876599 -0.07371527 -0.68573569 0.09423251 0.13699618 -0.70671501 -0.19533871 -2.50152223 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 643-28-7 12561 251919934 A 2-Isopropylaniline CC(C)c1ccccc1N Tox21_303899 -NCGC00357209-01 196724352 tox21-ror-cho-viability-p1 set3 4 7.6958821542 -7.1427283719 2 -5.1427283719 4.9549173134 0.4376155239 0.237054572 -4.71542023 -0.02045072 3.81404538 -3.50336753 1.07627722 4.97190239 5.48529148 2.65681584 3.90974839 2.24646705 6.58698427 -2.67858471 -2.78119471 -8.86894031 -2.90751883 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 635-22-3 12477 251919933 A 4-Chloro-3-nitroaniline O=[N+]([O-])c1cc(N)ccc1Cl Tox21_303987 -NCGC00090708-05 196724759 tox21-ror-cho-viability-p1 set3 -1.2 4.8557733675 -52.2461509636 -0.498839514 -52.7449904776 3.5117481694 0.9894586187 1.1E-9 -1.30270539 -2.5998297 -4.33881006 -0.48902511 -0.83779484 2.12590199 5.3875263 -0.01037082 -0.70876125 -3.6275995 -12.95454521 -45.30257729 -54.60086884 -52.7225915 -51.15128592 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00357115-01 196724760 tox21-ror-cho-viability-p1 set3 4 1.7228934059 11.9701937 -8.4701937 3.5 0.3 0.5564095229 0.1317228563 -7.02037081 -6.17431255 -6.85387667 -10.80849475 -3.1614898 -5.41060167 0.53057677 -2.35772975 -7.414072 -3.62387828 -2.6286 -0.18513769 -0.91640604 1.68932517 0.22174087 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 821-55-6 13187 251919663 Ac 2-Nonanone CCCCCCCC(C)=O Tox21_303845 -NCGC00260513-01 196724765 tox21-ror-cho-viability-p1 set3 -3 27.4171332585 -36.4190686595 -3.1904778859 -39.6095465454 4.9549173134 0.9030911629 0.0005053544 -2.72763803 -0.83432137 3.07189009 0.6984442 -5.65025691 -7.81399705 -1.69801994 -1.70512152 -7.13442849 -2.89384091 -4.02186622 -5.62227199 -7.04927501 -38.83288877 -18.54075526 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004135 0.00009247 215-58-7 9164 144210165 F A Dibenz[a,c]anthracene c3cc4c1ccccc1c2cc5ccccc5cc2c4cc3 Tox21_202967 -NCGC00254241-01 196720831 tox21-ror-cho-viability-p1 set3 4 0.0034376243 18.183126744 -18.183126744 0 0.4 0.5989766315 0.0982100751 -9.42693044 -15.15260562 -3.53788773 -6.50834947 -5.53592563 -4.52019465 -1.64018172 -5.03417338 -2.08692232 1.31937992 -4.45968863 1.25650602 -2.66743897 -3.2584462 4.29465944 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 113734-18-2 18551400 144210757 A A CP-114271 OC(CNC(C)Cc1ccc(OCC(=O)O)cc1)c2csc(n2)C(F)(F)F Tox21_300439 -NCGC00260346-01 196724075 tox21-ror-cho-viability-p1 set3 -3 77.585350921 -55.4428324977 1.06570294 -54.3771295577 4.9549173134 0.8618284582 0.0015399141 -7.34787014 0.29619354 1.25736196 -6.63482878 3.23965679 4.64785189 5.49758166 3.53191556 2.19678318 0.80552434 -3.67497877 -0.50800779 4.373751 5.52948917 -43.15645203 1.188E-9 2.657E-9 5.942E-9 1.3289999999E-8 2.971E-8 6.6429999999E-8 1.4849999999E-7 3.321E-7 7.427E-7 0.0000016609999999 0.000003714 0.000008304 0.00001857 0.00004152 0.00009284 1210-39-5 71027 144209998 A A 2-Propenal,3,3-diphenyl- O=C\C=C(/c1ccccc1)c2ccccc2 Tox21_202800 -NCGC00260473-01 196724077 tox21-ror-cho-viability-p1 set3 4 0.0140340964 8.021651552 -6.521651552 1.5 3.5117481694 0.4218426709 0.2515246542 -3.00993119 -3.91109207 -13.76804296 -1.29765144 -0.3149771 4.97009953 -0.19538224 3.2302265 4.31020915 -3.51082013 1.89516742 -5.35199379 1.46765039 1.95377151 7.81578219 1.2049999999E-9 2.695E-9 6.0249999999E-9 1.347E-8 3.013E-8 6.736E-8 1.506E-7 3.368E-7 7.5309999999E-7 0.0000016839999999 0.000003766 0.0000084199999999 0.000018829999999 0.0000421 0.000094139999999 544-16-1 10996 144210125 F N-Butylnitrite CCCCON=O Tox21_202927 -NCGC00357034-01 196724088 tox21-ror-cho-viability-p1 set3 4 0.005171419 6.780256616 -4.780256616 2 4.9549173134 0.6555804936 0.0615237903 -5.33443595 -4.51507548 -2.21868002 -7.73354718 4.80880246 2.36769585 5.00980066 -1.66391102 0.81345534 1.00166986 1.35962603 0.46242087 2.1698716 5.25241889 2.46213426 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 1939-36-2 80296 251919701 A Trimethylenediaminetetraacetic acid O=C(O)CN(CCCN(CC(=O)O)CC(=O)O)CC(=O)O Tox21_303722 -NCGC00254813-01 196720826 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -43.511918172 2.3281969825 -41.1837211895 4.5044702849 0.7826285978 0.0112027053 10.92612854 -1.95747757 -1.62811377 4.79115531 10.66770782 -2.11023362 -3.79039433 9.1634044 4.21134129 1.24966976 0.98112208 2.42703185 -2.58903212 -1.83905581 -32.50993181 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-68-9 6982 144211226 A A 6-Chlorothymol Oc1cc(C)c(Cl)cc1C(C)C Tox21_300909 -NCGC00254239-01 196720829 tox21-ror-cho-viability-p1 set3 4 -5.92897708 -11.50492131 -0.25044462 0.49296538 -3.18581206 -0.45347305 4.29357042 -0.51471658 -0.01914989 3.17792429 -4.47479243 -6.62389651 -7.55691906 -6.00028562 2.42239636 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58394-64-2 94037 144210642 D Benzyloctyl adipate CCC(CCCC)COC(=O)CCCCC(=O)OCc1ccccc1 Tox21_300324 -NCGC00254141-01 196720830 tox21-ror-cho-viability-p1 set3 4 21.6899429044 -23.179217912 17.5 -5.679217912 0.71 0.5565831697 0.130014526 14.15479328 17.96420497 20.21652707 14.57551985 25.82293547 24.06139258 8.9825834 9.21988271 17.78673408 7.95153434 16.83637976 13.90552054 1.86117199 5.78411711 -1.39934826 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-30-1 8174 144210398 A A 1-Decanol CCCCCCCCCCO Tox21_300078 -NCGC00254234-01 196720832 tox21-ror-cho-viability-p1 set3 4 0.0033358995 9.282209764 -9.782209764 -0.5 4.9549173134 0.3743560104 0.2972426651 -7.10422107 -11.90184147 -1.96515711 2.97743743 -0.37077284 -3.24666963 0.50405721 1.82908414 -0.58644786 2.05943322 -6.77073402 -6.35378835 2.54150351 -7.04206588 6.13607803 8.63E-10 1.93E-9 4.315E-9 9.648E-9 2.1569999999E-8 4.8239999999E-8 1.079E-7 2.4119999999E-7 5.394E-7 0.000001206 0.0000026969999999 0.00000603 0.00001348 0.000030149999999 0.00006742 114-07-8 12560 144210833 D Erythromycin CN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]3O Tox21_300515 -NCGC00259788-01 196721238 tox21-ror-cho-viability-p1 set3 -3 69.008347349 -69.2309139474 -5.336911137 -74.5678250844 4.9549173134 0.926379306 0.0000669864 -8.55016154 -4.61880153 1.80734543 -5.00454193 -4.04190248 -4.87556194 -7.0620988 -15.62996476 -5.31758416 0.31693258 -3.16615517 -8.24232588 -8.96672731 -9.82366932 -61.56176594 1.1859999999E-9 2.653E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001854 0.00004145 0.00009268 789-02-6 13089 144209437 A A o,p'-DDT Clc2ccccc2C(c1ccc(Cl)cc1)C(Cl)(Cl)Cl Tox21_202239 -NCGC00259668-01 196721241 tox21-ror-cho-viability-p1 set3 4 13.44026427 12.8075 11.65705802 17.48761614 13.50169711 14.69174991 13.09447181 13.13184357 13.26218979 7.80399503 9.05937604 13.46238129 12.10004855 13.08232013 8.28498048 1.2169999999E-9 2.7209999999E-9 6.084E-9 1.36E-8 3.042E-8 6.802E-8 1.521E-7 3.401E-7 7.605E-7 0.0000016999999999 0.0000038019999999 0.000008502 0.00001901 0.00004251 0.00009506 106-22-9 8842 144209317 B B Citronellol C\C(C)=C\CCC(C)CCO Tox21_202119 -NCGC00259859-01 196721633 tox21-ror-cho-viability-p1 set3 4 21.9107051025 15.19560112 -3.19560112 12 1.59358881 0.4795602034 0.2145495788 -4.13657522 -2.96124317 1.58938253 5.49309329 -3.89550361 -7.15246406 -8.0796676 -5.20977373 -5.35653689 -2.239663 -3.86764834 1.73276778 1.44203962 8.82115192 -3.32888508 1.19E-9 2.6619999999E-9 5.9519999999E-9 1.331E-8 2.976E-8 6.655E-8 1.4879999999E-7 3.3269999999E-7 7.44E-7 0.0000016639999999 0.00000372 0.000008319 0.0000186 0.00004159 0.000093 1470-79-7 73852 144209508 A A 2,4,4'-Trihydroxybenzophenone O=C(c1ccc(O)cc1O)c2ccc(O)cc2 Tox21_202310 -NCGC00160479-02 196722801 tox21-ror-cho-viability-p1 set3 4 -0.26038599 2.68689381 -6.72484475 3.53714443 -5.99639495 -5.74989745 -1.64682751 -6.19231111 0.83154635 2.57063931 1.97700302 -5.45743704 -8.42024419 -6.09124863 2.99654588 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33414-36-7 219081 170466313 Ac Ftorpropazine OCCN1CCN(CC1)CCC(=O)N2c4ccccc4Sc3ccc(cc23)C(F)(F)F Tox21_111841_1 -NCGC00015408-03 196698287 tox21-ror-cho-viability-p1 set1 4 0.08145629 -1.62660616 -2.77006702 -5.6900617 -2.76641247 1.16967145 1.21732297 -1.85270707 -2.34509829 1.07712485 -2.17431934 -0.22507908 0.04729815 -2.25353591 -0.85988132 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-98-6 65326 170465509 A Ephedrine hydrochloride Cl.O[C@@H]([C@H](C)NC)c1ccccc1 Tox21_111310_1 -NCGC00254674-01 196698700 tox21-ror-cho-viability-p1 set1 4 1.03905845 2.65136429 3.30384069 1.09361099 2.19261764 2.75608089 1.45113243 2.93676391 -0.55625599 4.13438073 3.18421947 0.48210184 3.19586748 2.03924138 -0.34120346 1.239E-9 2.771E-9 6.196E-9 1.386E-8 3.098E-8 6.928E-8 1.549E-7 3.464E-7 7.746E-7 0.0000017319999999 0.000003873 0.00000866 0.000019359999999 0.000043299999999 0.000096819999999 111-94-4 8149 144211087 BC A 3,3'-Iminobispropanenitrile N#CCCNCCC#N Tox21_300770 -NCGC00254357-01 196698715 tox21-ror-cho-viability-p1 set1 4 1.22367326 0.38426534 2.15852767 0.06258266 2.70470396 -0.49407463 3.44555037 0.66791755 2.26158362 0.66131538 0.27941118 2.31919824 2.82688057 1.6391659 -1.46777012 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 34590-94-8 22833331 144210887 F Dipropylene glycol monomethyl ether COCCCOC(O)CC Tox21_300570 -NCGC00167489-03 196722384 tox21-ror-cho-viability-p1 set3 1.2 6.6824247267 39.2009896467 -2.3769600339 36.8240296128 2.4063783767 0.966990881 8.345E-7 -1.88263953 -3.35156888 -2.83866075 -0.16774936 1.22148786 -2.67140786 0.72134 1.11773953 -5.83337599 -7.14500282 -2.23248543 5.51640362 27.52875615 32.5475569 36.79586418 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 135159-51-2 444005 170465973 A Sarpogrelate hydrochloride Cl.O=C(O)CCC(=O)OC(COc2ccccc2CCc1cccc(OC)c1)CN(C)C Tox21_112490_1 -NCGC00185767-01 196722390 tox21-ror-cho-viability-p1 set3 4 5.8748298 -1.13718673 5.47254482 3.51211783 4.96191166 0.25800689 -3.30675453 4.71723827 1.5044123 8.33264874 1.12812954 5.69717957 -2.00120868 -1.97369654 8.51579404 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 24916-51-6 5284620 144207139 D D Spiramycin II CN(C)[C@H]1CC[C@H](O[C@@H]1C)O[C@H]4C=CC=CC[C@@H](C)OC(=O)C[C@@H](OC(C)=O)[C@H](OC)[C@@H](O[C@@H]3O[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](O)[C@H](C)O2)[C@@H]([C@H]3O)N(C)C)[C@@H](CC=O)C[C@H]4C Tox21_113590 -NCGC00024246-15 196722402 tox21-ror-cho-viability-p1 set3 -2.1 16.7854920005 -115.9312020135 2.2820179128 -113.6491841007 2.3331733767 0.9782538643 7.69E-8 -1.99635276 4.24140785 0.65221145 1.68934311 0 -0.19802048 -0.72141411 -0.42169428 10.59526349 9.39668574 0.15268979 -6.58439669 -10.5077886 -73.01693337 -103.50563215 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 20830-81-3 30323 170465048 A Daunorubicin CC(=O)[C@@]4(O)C[C@H](O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1)c5c(O)c3C(=O)c2c(OC)cccc2C(=O)c3c(O)c5C4 Tox21_110896_1 -NCGC00263572-01 196722804 tox21-ror-cho-viability-p1 set3 4 1.6785492 13.1168177879 -2.1168177879 11 1.0999999999 0.7454206291 0.0209643444 -0.93726868 -1.45756446 -2.51497659 -1.94861901 -1.52259167 -5.93068149 0.14937159 1.53561849 -1.46496294 -1.75391304 6.88438271 12.55421747 4.67421681 6.74421071 14.30143864 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 201530-41-8 5493381 170464723 A Deferasirox O=C(O)c1ccc(cc1)n3nc(nc3c2ccccc2O)c4ccccc4O Tox21_112926_1 -NCGC00094521-05 196722809 tox21-ror-cho-viability-p1 set3 4 0.2433651621 -19.770695084 14.5 -5.270695084 0.5 0.5712924465 0.1182758564 14.32636919 13.43759358 13.01449625 4.37107081 4.17570683 23.65778329 -2.24523983 7.51754888 -1.15820503 -1.54769153 0.96272833 -0.08597283 -4.56656718 -7.30891257 -2.14553267 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00253723-01 196722813 tox21-ror-cho-viability-p1 set3 4 9.4391758155 10.981623724 1.018376276 12 3.5117481694 0.8697187384 0.0011904457 -0.81801977 2.53966126 2.8929597 1.20355086 1.96027756 -0.73091223 1.74856864 3.89642115 0.70393817 2.33798476 0.08185384 0.62856807 5.72882044 12.75641697 10.97638439 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4093-31-6 77721 170466771 A A Methyl 4-acetamido-5-chloro-o-anisate Clc1cc(c(cc1NC(C)=O)OC)C(=O)OC Tox21_113842 -NCGC00253764-01 196723216 tox21-ror-cho-viability-p1 set3 2.2 29.8492948118 55.891857142 3.6165830359 59.5084401779 1.9673362061 0.8759108559 0.0009267323 9.10746669 11.70600009 5.40229554 3.51671847 2.07367976 2.22464202 1.54476754 4.03205203 7.84450676 -0.65046033 1.02456542 9.73145744 10.57895168 16.22024541 45.37818535 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 65571-68-8 71967 170466211 A A Lofemizole Clc1ccc(cc1)c2ncnc2C Tox21_113877 -NCGC00259167-01 196706044 tox21-ror-cho-viability-p1 set1 4 0.0239904426 15.424654784 -17.924654784 -2.5 4.9549173134 0.8462470862 0.0025279814 -18.02659714 -14.05996808 -18.48587777 -19.93721232 -5.59524398 -0.6377968 1.88644699 -8.40892965 -5.89065901 -2.36763781 -4.30999285 -4.07105409 0.60075568 -2.51848031 0.47437584 1.166E-9 2.606E-9 5.8279999999E-9 1.303E-8 2.9139999999E-8 6.515E-8 1.457E-7 3.2579999999E-7 7.284E-7 0.000001629 0.0000036419999999 0.000008144 0.00001821 0.000040719999999 0.00009106 551-92-8 3090 144208816 A A 1,2-Dimethyl-5-nitroimidazole O=[N+]([O-])c1cnc(C)n1C Tox21_201618 -NCGC00259260-01 196705619 tox21-ror-cho-viability-p1 set1 -2.4 7.7350303218 -28.4376653559 2.5 -25.9376653559 1.8079476909 0.9128080698 0.0001611068 4.09754465 -0.69045609 5.77138354 2.39737852 0.74646779 0.22249157 0.23758106 1.1650716 1.11948076 9.83157485 -8.62689821 -11.81785852 -19.25262801 -26.61472113 -24.93973031 1.185E-9 2.6499999999E-9 5.9249999999E-9 1.325E-8 2.962E-8 6.6239999999E-8 1.481E-7 3.312E-7 7.406E-7 0.000001656 0.0000037029999999 0.0000082799999999 0.00001852 0.0000414 0.00009258 135-57-9 67271 144208909 A A 2,2'-Dibenzoylaminodiphenyl disulfide O=C(Nc3ccccc3SSc2ccccc2NC(=O)c1ccccc1)c4ccccc4 Tox21_201711 -NCGC00258958-01 196705627 tox21-ror-cho-viability-p1 set1 4 1.64345826 3.76260726 1.55964826 -0.09876909 4.1016957 2.94899412 -0.94512476 0.53099398 3.46002773 2.75688103 4.69243 3.25236837 2.10265551 -1.23232839 0 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.0000036889999999 0.000008248 0.00001844 0.00004124 0.00009222 86-57-7 6849 144208605 A A 1-Nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 Tox21_201407 -NCGC00259141-01 196706041 tox21-ror-cho-viability-p1 set1 -2.1 42.5739137901 -87.6173077442 -3.604574291 -91.2218820352 2.4063783767 0.9339619505 0.0000377049 -4.27859408 -0.04137414 -6.88856531 -4.96914004 -6.91476824 -6.50129529 0.67472315 -1.73581274 -2.30164953 -8.27745496 -13.27555277 2.46855955 0.41969559 -49.68254202 -78.57718336 1.164E-9 2.602E-9 5.818E-9 1.301E-8 2.909E-8 6.5049999999E-8 1.4549999999E-7 3.252E-7 7.2729999999E-7 0.0000016259999999 0.000003636 0.000008131 0.00001818 0.000040659999999 0.00009091 143-50-0 299 144208790 A F Kepone O=C2C1(Cl)C3(Cl)C5(Cl)C1(Cl)C4(Cl)C2(Cl)C3(Cl)C4(Cl)C5(Cl)Cl Tox21_201592 -NCGC00259949-01 196706048 tox21-ror-cho-viability-p1 set1 4 3.07112498 3.02726753 0.63526444 1.89487468 -0.07201484 0.62167949 0.353126 -2.72143879 5.26814321 4.54712442 1.77331724 5.4964194 -6.11747645 -0.01553088 0.00526328 1.204E-9 2.693E-9 6.021E-9 1.346E-8 3.011E-8 6.732E-8 1.5049999999E-7 3.366E-7 7.526E-7 0.000001683 0.000003763 0.0000084149999999 0.00001882 0.000042069999999 0.00009408 83-32-9 6734 144209598 A A Acenaphthene c1cc2cccc3CCc(c1)c23 Tox21_202400 -NCGC00259796-01 196706448 tox21-ror-cho-viability-p1 set1 4 31.2620530195 8.4730155119 -0.9730155119 7.5 0.9999999999 0.4645828616 0.2141645482 -1.3702161 -0.46371268 0.58518566 -1.95783669 -0.6003428 2.38499363 -3.77486229 -1.1745887 1.35668339 -5.81084626 1.60791716 2.62193094 1.33290407 3.13553168 5.74997875 1.1999999999E-9 2.683E-9 5.999E-9 1.3409999999E-8 2.999E-8 6.707E-8 1.5E-7 3.353E-7 7.499E-7 0.000001677 0.000003749 0.000008384 0.00001875 0.00004192 0.00009373 121-39-1 8469 144209445 Z Z Ethyl 3-phenylglycidate CCOC(=O)C2OC2c1ccccc1 Tox21_202247 -NCGC00259649-01 196706450 tox21-ror-cho-viability-p1 set1 4 3.94128161 4.00094363 0.67302763 -2.01262364 -0.96003782 3.54083438 2.15900714 -1.25480674 -15.24456146 -1.84574904 1.70868298 3.58399823 -0.51166353 2.73365815 -1.64970366 1.203E-9 2.6889999999E-9 6.013E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.361E-7 7.516E-7 0.0000016809999999 0.000003758 0.000008403 0.000018789999999 0.00004202 0.00009395 13171-21-6 25750 144209298 C Phosphamidon COP(=O)(OC)OC(C)=C(Cl)C(=O)N(CC)CC Tox21_202100 -NCGC00259470-01 196706451 tox21-ror-cho-viability-p1 set1 4 -6.10515087 -2.06262832 -8.86435289 -10.30939302 -5.0197501 -4.51520361 3.60452548 -3.89151586 2.59574894 -10.1759032 -11.61781206 -5.97402397 1.25829007 -4.22224048 -3.9415403 1.2169999999E-9 2.7209999999E-9 6.083E-9 1.36E-8 3.042E-8 6.801E-8 1.521E-7 3.401E-7 7.604E-7 0.0000016999999999 0.0000038019999999 0.000008502 0.00001901 0.00004251 0.000095049999999 115-77-5 8285 144209119 A Ac Pentaerythritol OCC(CO)(CO)CO Tox21_201921 -NCGC00259268-01 196706463 tox21-ror-cho-viability-p1 set1 4 0.21410978 1.1152071 1.07269233 4.4637169 -0.42099042 2.70064373 -0.90603911 0.21059974 3.18775023 0 1.34562492 3.86942602 1.14975205 7.45043816 5.25346999 1.171E-9 2.618E-9 5.8549999999E-9 1.3089999999E-8 2.927E-8 6.546E-8 1.464E-7 3.2729999999E-7 7.3179999999E-7 0.0000016359999999 0.0000036589999999 0.000008182 0.0000183 0.000040909999999 0.00009148 110-44-1 643460 144208917 A A Sorbic acid C\C=C\C=C\C(=O)O Tox21_201719 -NCGC00259184-01 196706464 tox21-ror-cho-viability-p1 set1 4 0.4934889307 11.482064188 -13.6139976 -2.131933412 4.9549173134 0.441517745 0.2491141767 -14.83368085 -8.95182433 -18.50100779 -16.18700769 -2.23605422 -15.47434196 -18.844998 -13.82929133 -1.67188408 -6.83914078 -0.10994451 -0.44740443 -0.24223078 -13.69349563 -39.41969664 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.000001671 0.0000037379999999 0.000008357 0.00001869 0.00004179 0.00009344 72-56-0 6295 144208833 A Ac p,p'-Ethyl-DDD ClC(Cl)C(c1ccc(CC)cc1)c2ccc(cc2)CC Tox21_201635 -NCGC00259807-01 196706864 tox21-ror-cho-viability-p1 set1 4 -1.17813729 -2.56263724 -2.66722555 0.72428025 9.43892283 -2.41196246 -2.4512897 0.01846648 6.57380257 -14.70744454 -0.84238744 2.29832295 0.98416015 -0.22758743 2.86019858 1.206E-9 2.697E-9 6.0309999999E-9 1.349E-8 3.016E-8 6.743E-8 1.5079999999E-7 3.371E-7 7.539E-7 0.0000016859999999 0.000003769 0.000008429 0.00001885 0.00004214 0.000094239999999 25340-17-4 8657 144209456 AC Fc Diethylbenzene CCc1ccccc1CC Tox21_202258 -NCGC00260553-01 196703568 tox21-ror-cho-viability-p1 set1 4 -4.33754368 -3.02846504 -3.96473342 -6.43337495 1.61428677 -5.50053132 -7.63892358 -7.68482397 -1.82299997 -3.89491097 -1.07748247 -4.78733921 -5.70977135 -2.23321249 -0.13752398 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49449 144210206 M M NTP Mix61 CT1 62-EQP Tox21_203008 -NCGC00091205-03 196702747 tox21-ror-cho-viability-p1 set1 4 2.87710257 2.26811953 5.20563017 9.69564773 4.55691591 7.39547327 2.595625 -0.49708202 4.78423926 2.06758482 5.54463706 2.14879999 10.66524681 1.75721243 1.08925805 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00179310-03 196725679 tox21-ror-cho-viability-p1 set3 4 1.333319023 12.3178209399 -1.8178209399 10.5 2.2526478767 0.8201138047 0.0050871438 -2.02149596 -5.0820866 -5.68151745 -1.98717965 0.34933049 1.55293481 -0.14621219 -2.17595783 0.55774992 -1.5370616 8.51579261 9.39575759 10.48581852 14.44245816 6.19775053 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5575-21-3 21743 170466431 Z Cefalonium NC(=O)c4cc[n+](CC=2CS[C@@H]3[C@H](NC(=O)Cc1cccs1)C(=O)N3C=2C([O-])=O)cc4 Tox21_110548_1 -NCGC00260426-01 196724845 tox21-ror-cho-viability-p1 set3 4 -0.2845431 -11.68233087 3.70454131 -14.98988981 0.55932381 -2.00838882 5.0863416 0.76753228 -2.7695592 1.74964023 -3.01584011 0.41989505 0.78947875 -2.96327761 -4.13449216 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004124 0.00009223 93-99-2 7169 144210078 F Fns Phenyl benzoate O=C(Oc1ccccc1)c2ccccc2 Tox21_202880 -NCGC00182072-03 196726091 tox21-ror-cho-viability-p1 set3 4 -0.94456997 0.35155145 4.6774867 8.33881863 0.1159015 -3.26520261 0.30392026 5.28461335 -0.32304149 -2.53143695 10.17034587 -2.33624844 3.31069571 -0.09581993 8.4247636 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 70-07-5 6257 170466491 A Mephenoxalone COc2ccccc2OCC1CNC(=O)O1 Tox21_113149_1 -NCGC00167980-02 196726092 tox21-ror-cho-viability-p1 set3 4 -0.72615234 -0.56671034 3.9115044 0.7018881 -1.76203985 -3.36078133 1.54020885 -3.33889242 -2.04318538 -6.08530388 -0.13394964 -1.45955075 -2.40970216 2.02571946 -3.54703887 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52549-17-4 4888 170465811 B Pranoprofen O=C(O)C(C)c1cc2Cc3cccnc3Oc2cc1 Tox21_112601_1 -NCGC00095303-04 196726093 tox21-ror-cho-viability-p1 set3 -2.1 21.1316824289 -92.9987520124 3.242597954 -89.7561540584 2.4063783767 0.978908049 6.45E-8 1.84907402 -0.213098 2.76115528 6.003168 4.88912729 -1.69807354 -1.08763955 5.46381457 8.4388333 1.9832504 0.11787202 1.99251674 -1.63274898 -44.947168 -76.70920762 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 130-16-5 2817 170465523 A Cloxyquin Oc1ccc(Cl)c2cccnc12 Tox21_111501_1 -NCGC00256705-01 196726499 tox21-ror-cho-viability-p1 set3 4 -1.26116982 -0.21296867 0.87626749 0.59071202 0.74961959 4.60045769 1.15937397 0.73817269 0.16932932 -8.12548916 -18.73806906 -0.32225309 -0.98267994 0.44176601 -0.90110864 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13019-22-2 25612 144212854 A A 9-Decen-1-ol C=CCCCCCCCCO Tox21_302537 -NCGC00256888-01 196726507 tox21-ror-cho-viability-p1 set3 4 0.0007748633 -17.1342107439 15 -2.1342107439 4.9549173134 0.8858973251 0.0010849944 10.97587996 -0.95522632 -1.65167322 -3.37408828 -2.83255126 -1.07578821 -1.68677295 -2.53977095 -1.93566535 -3.44517562 1.38179465 -3.39881303 -2.41257723 -1.3328477 3.82776016 6.063E-10 1.3559999999E-9 3.032E-9 6.779E-9 1.5159999999E-8 3.39E-8 7.5789999999E-8 1.695E-7 3.79E-7 8.474E-7 0.0000018949999999 0.000004237 0.000009474 0.000021179999999 0.000047369999999 6381-91-5 22879 144212764 A B Calcium saccharin hydrate [Ca+2].O.O=C1[N-]S(=O)(=O)c2ccccc12.O=C1[N-]S(=O)(=O)c2ccccc12 Tox21_302447 -NCGC00178417-03 196725750 tox21-ror-cho-viability-p1 set3 4 1.92039162 0.82609021 -0.35119734 -2.49722062 -8.59811245 1.26547459 2.372433 1.20414863 -0.66399746 0.14451009 1.15255948 1.49422183 -0.22230693 2.71056267 -0.97257923 1.1799999999E-10 2.638E-10 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 53797-35-6 20056828 170465814 Z Ribostamycin sulfate O=S(=O)(O)O.N[C@@H]3[C@@H](O)[C@H](O)[C@@H](CN)O[C@@H]3O[C@@H]2[C@@H](N)C[C@@H](N)C(O)[C@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Tox21_110657_1 -NCGC00015673-13 196725735 tox21-ror-cho-viability-p1 set3 4 2.9849294812 6.4838577399 -2.4838577399 4 4.9549173134 0.5017028121 0.1780716246 3.39065453 0.30629466 -8.31988145 -3.34315326 -3.37720468 -2.32596916 -1.87851953 -3.14532746 -6.23493889 0.14749531 -3.15935995 3.6891571 7.14440261 3.22684746 1.42487846 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 38304-91-5 4201 170464704 A Minoxidil Nc1cc(nc(N)[n+]1[O-])N2CCCCC2 Tox21_110193_1 -NCGC00092384-03 196725739 tox21-ror-cho-viability-p1 set3 4 0.98231799 3.2613186 0.25904384 3.30569663 1.18920989 -1.47614749 -1.13004343 -2.16298785 -0.96911512 -4.00010159 -1.24334489 -1.23551084 -3.05118839 -0.28962303 -1.28919552 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57653-26-6 162834 170466272 A Fenobam O=C2N=C(NC(=O)Nc1cccc(Cl)c1)N(C)C2 Tox21_112624_1 -NCGC00178782-04 196725749 tox21-ror-cho-viability-p1 set3 3 29.8492948118 94.9267425019 -8.2522949269 86.674447575 4.9549173134 0.9022857928 0.0002863558 7.95209519 3.64412151 -12.41402528 0 -6.85610733 -12.41110311 -12.02608962 -13.04472079 -18.77549286 -16.20004076 -10.97701834 -8.33065447 -6.61346215 4.09839738 76.79043724 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13412-64-1 23675786 170465296 A Dicloxacillin sodium salt monohydrate [Na+].O.O=C([O-])[C@@H]3N4C(=O)[C@@H](NC(=O)c2c(C)onc2c1c(Cl)cccc1Cl)[C@H]4SC3(C)C Tox21_113495_1 -NCGC00181030-02 196725751 tox21-ror-cho-viability-p1 set3 4 6.48606252 6.47426678 -0.5699097 4.56407009 5.28292115 -0.34545937 -0.38229243 0.22955115 -3.55868404 10.41657459 -2.73180357 3.14451003 1.27809768 -1.82825294 1.23707977 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66-22-8 1174 170465915 Z Uracil O=C1C=CNC(=O)N1 Tox21_112680_1 -NCGC00164503-02 196726153 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -134.6091131039 12.689763048 -121.9193500559 4.9549173134 0.890491209 0.0005041674 1.37146683 0.42142015 -2.74508156 13.58179416 20.06153825 12.12613798 11.02667509 0 12.29795101 9.49862643 19.41199448 33.52301852 30.01031696 6.16918678 -107.47434868 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15518-87-3 71873 170466551 A Myralact OCCNCCCCCCCCCCCCCC.O=C(O)C(C)O Tox21_112141_1 -NCGC00253620-01 196723691 tox21-ror-cho-viability-p1 set3 4 18.8336317891 10.768814936 1.231185064 12 0.8999999999 0.3907716962 0.3006899605 0.81079562 -1.05734578 2.2749273 1.80877839 -0.58218351 0.43225517 2.32307365 4.77565834 -0.95074856 2.34948679 0.68929815 6.65951871 -0.09671579 9.99723422 4.59927191 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13035-61-5 83064 170466768 Ac A 1,2,3,5-Tetraacetyl-.-d-ribofuranose O=C(C)O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O Tox21_113750 -NCGC00160615-03 196723279 tox21-ror-cho-viability-p1 set3 4 2.6603212004 -7.362485668 -1 -8.362485668 1.826479391 0.6097002648 0.1051915905 -2.66775036 1.10229373 -4.54544662 2.6050048 -0.74454628 -4.28570645 -0.78327548 -0.94252719 1.99130711 -2.51508478 -4.0927374 -5.09682826 -9.05207139 -7.18873262 8.95623394 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 126-14-7 31340 170465525 F Sucrose octaacetate CC(=O)O[C@H]1[C@H](O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)O[C@]2(COC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O Tox21_111938_1 -NCGC00178860-06 196723281 tox21-ror-cho-viability-p1 set3 4 0.0084126743 -9.765871436 8 -1.765871436 4.9549173134 0.5807918605 0.1114116006 3.33381138 9.10793545 10.96235231 6.82280977 -3.14390109 -2.22917295 8.85624561 -3.60294825 -3.38869996 -2.05985456 -0.54624847 -5.22155953 -1.09295302 -1.27276157 -4.73932101 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1094-08-2 122824 170465065 A Ethopropazine hydrochloride Cl.CCN(CC)C(C)CN1c3ccccc3Sc2ccccc12 Tox21_110496_1 -NCGC00015831-06 196723685 tox21-ror-cho-viability-p1 set3 4 0.16785492 -8.672453876 3 -5.672453876 3.5117481694 0.467562474 0.2250397116 2.3756936 -0.17969792 -6.03994915 11.12163949 6.2515621 -1.59428785 10.75474014 -3.39508754 -5.57935626 -6.81037823 -6.4561487 -5.38440721 -5.08430165 -3.2517714 6.80389253 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 132-20-7 25150753 170464902 C Pheniramine maleate [O-]C(=O)/C=C\C([O-])=O.C[NH+](C)CCC(c1ccccc1)c2[nH+]cccc2 Tox21_111188_1 -NCGC00094852-03 196723698 tox21-ror-cho-viability-p1 set3 4 37.5780357627 11.83823516 0.16176484 12 4.9549173134 0.4528619972 0.2237616592 3.32144795 0.37318362 1.085677 -0.04051134 -3.49122169 0 -5.6985293 0 3.20765872 2.07746571 4.68703081 -0.0735051 -0.44739321 -0.83018321 9.57615999 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-48-9 5819 170465450 A Levothyroxine O=C(O)[C@@H](N)Cc2cc(I)c(Oc1cc(I)c(O)c(I)c1)c(I)c2 Tox21_112101_1 -NCGC00260308-01 196724097 tox21-ror-cho-viability-p1 set3 4 0.0083733288 6.080101772 -4.080101772 2 4.9549173134 0.5879626725 0.1074285322 -5.90008481 -2.96662161 -2.09148755 -3.23954689 3.02598847 1.01456172 1.08702238 -0.05037381 1.56282011 2.84619133 6.86618589 4.253484 -0.03610368 -0.54286047 0.36442798 5.8759999999E-10 1.314E-9 2.938E-9 6.569E-9 1.469E-8 3.2849999999E-8 7.345E-8 1.642E-7 3.672E-7 8.211E-7 0.000001836 0.0000041059999999 0.0000091809999999 0.00002053 0.0000459 28777-98-2 5354626 144209959 D A Dihydro-3-(octadecenyl)-2,5-furandione O=C1OC(=O)CC1\C=C\CCCCCCCCCCCCCCCC Tox21_202761 -NCGC00259534-01 196721273 tox21-ror-cho-viability-p1 set3 4 -3.94707054 -3.8391489 -13.5285455 -2.53426689 -0.39795086 -1.2572728 -5.19508555 -2.47123462 -0.79892378 0.59080334 -3.94328126 -3.81274814 -2.17874 -4.38669752 -0.35190335 1.164E-9 2.6039999999E-9 5.822E-9 1.302E-8 2.911E-8 6.509E-8 1.4549999999E-7 3.255E-7 7.2769999999E-7 0.0000016269999999 0.000003639 0.000008136 0.00001819 0.00004068 0.000090969999999 131-57-7 4632 144209183 A A 2-Hydroxy-4-methoxybenzophenone O=C(c1ccc(cc1O)OC)c2ccccc2 Tox21_201985 -NCGC00259241-01 196721267 tox21-ror-cho-viability-p1 set3 4 -5.19328891 -3.50543425 1.92472647 5.85968808 -3.78804814 -7.61989048 -4.69212492 -4.8737933 -5.22482541 -0.18474853 -3.72516524 -1.80190168 -3.52095026 5.08011662 -3.62052109 1.167E-9 2.609E-9 5.8329999999E-9 1.304E-8 2.917E-8 6.522E-8 1.458E-7 3.261E-7 7.2919999999E-7 0.0000016299999999 0.000003646 0.000008152 0.00001823 0.000040759999999 0.00009115 3622-84-2 19241 144208890 A A N-Butylbenzenesulfonamide O=S(=O)(NCCCC)c1ccccc1 Tox21_201692 -NCGC00259180-01 196721269 tox21-ror-cho-viability-p1 set3 4 3.56550348 -1.69167954 -12.63496694 -4.99771512 -12.68947571 1.35856275 -12.80372124 -0.42181108 -5.14975506 -5.23826387 -2.46164221 -6.32034864 -6.72844172 -1.08509235 6.0348767 1.197E-9 2.676E-9 5.9839999999E-9 1.338E-8 2.992E-8 6.69E-8 1.496E-7 3.345E-7 7.48E-7 0.000001673 0.00000374 0.000008363 0.000018699999999 0.000041819999999 0.0000935 60168-88-9 43226 144208829 A A Fenarimol OC(c1ccccc1Cl)(c2cncnc2)c3ccc(Cl)cc3 Tox21_201631 -NCGC00259522-01 196721270 tox21-ror-cho-viability-p1 set3 4 0.2775092193 19.630621888 -9.630621888 10 0.3 0.7503300885 0.0194901519 -4.72954842 -7.87269399 -8.02551824 -4.05250427 0.10307385 1.84456878 -2.63241633 0.63838973 1.31730074 3.07782671 3.40698649 4.1943619 -0.18105548 10.93441377 8.54454505 1.196E-9 2.6749999999E-9 5.981E-9 1.337E-8 2.9909999999E-8 6.6869999999E-8 1.4949999999E-7 3.344E-7 7.476E-7 0.0000016719999999 0.0000037379999999 0.0000083589999999 0.00001869 0.00004179 0.000093459999999 102-60-3 7615 144209171 A A N,N,N',N'-Tetrakis(2-Hydroxypropyl)ethylenediamine CC(O)CN(CC(C)O)CCN(CC(C)O)CC(C)O Tox21_201973 -NCGC00259102-01 196721275 tox21-ror-cho-viability-p1 set3 4 -7.12825229 -8.3418825 -7.058719 -2.21512683 -9.41746981 -4.51393938 -8.22456295 -7.64365202 -9.44971916 -4.89857605 -6.96564679 -16.37327974 -12.15120618 2.15504351 -27.22940614 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-24-2 7642 144208751 A Z Bis(2-ethylhexyl) nonanedioate O=C(CCCCCCCC(=O)OCC(CC)CCCC)OCC(CCCC)CC Tox21_201553 -NCGC00258831-01 196721656 tox21-ror-cho-viability-p1 set3 4 29.5506191003 10.050973752 -3.050973752 7 4.9549173134 0.5372633361 0.1641939884 -7.12581146 -1.88261573 1.46259951 -3.34539618 -1.86474513 -4.21799848 -3.71072688 -4.11227146 -5.54563643 0.2612233 -5.77064303 -2.90358663 -2.85153046 6.07951597 0.13368226 1.1449999999E-9 2.5609999999E-9 5.725E-9 1.28E-8 2.863E-8 6.4009999999E-8 1.431E-7 3.2009999999E-7 7.157E-7 0.0000016 0.000003578 0.000008002 0.00001789 0.00004001 0.000089459999999 124-07-2 379 144208477 A A Octanoic acid O=C(O)CCCCCCC Tox21_201279 -NCGC00090771-04 196698323 tox21-ror-cho-viability-p1 set1 4 2.06469828 -3.16199602 -1.56377102 1.06291341 0.96523328 1.59434245 -0.23020663 -0.47759062 1.22788598 1.77665393 -1.35061218 -0.70995131 1.46377186 -0.93280698 -0.28328925 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7585-39-9 444041 170466376 F beta-Cyclodextrin OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O Tox21_111017_1 -NCGC00253662-01 196697912 tox21-ror-cho-viability-p1 set1 4 -0.51479818 4.64500054 2.21619642 1.04394827 0.24262843 0.51802291 0.08726051 8.02149269 0.50650416 0.04341034 -0.22833512 6.85096754 1.10855162 3.78879156 3.2743798 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 40172-95-0 550206 170466675 F F 1-(2-Furoyl)piperazine O=C(N1CCNCC1)c2ccco2 Tox21_113787 -NCGC00344518-01 196698318 tox21-ror-cho-viability-p1 set1 4 3.31421447 -0.95050846 4.23200332 2.87035839 5.44421477 5.78144294 0.79958769 6.48358067 4.27690015 0.14005085 4.54698417 6.36044277 0.41751403 5.96113399 3.97952062 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 32462-30-9 36143 170466530 Z Oxfenicine N[C@@H](c1ccc(O)cc1)C(=O)O Tox21_112144_1 -NCGC00249916-01 196698319 tox21-ror-cho-viability-p1 set1 4 -3.89137036 -0.19911354 -2.49475974 -2.41040092 -1.51740871 -0.57835548 -5.66779388 -1.53308642 -10.59114538 -0.88013682 -4.49825716 -0.33678417 -5.56975038 -3.31167461 0.58651422 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 119-48-2 3091 170465773 A A Dimorpholamine O=C(N(CCCC)CCN(CCCC)C(=O)N1CCOCC1)N2CCOCC2 Tox21_113692 -NCGC00357179-01 196724070 tox21-ror-cho-viability-p1 set3 4 0.5448267328 -5.6792899719 2 -3.6792899719 4.9549173134 0.4706354654 0.2232560309 -2.04977389 0.00606582 3.90556555 2.20711782 0.65315504 1.43931173 8.53267791 2.18948277 -3.3602715 -1.15160239 -10.14940831 -4.21617363 -1.86643104 -1.14380116 2.14485245 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 591-22-0 11565 251919912 A 3,5-Dimethylpyridine Cc1cncc(C)c1 Tox21_303943 -NCGC00015399-16 196723262 tox21-ror-cho-viability-p1 set3 4 0.0007497804 -21.018732888 22 0.981267112 0.9999999999 0.5336763112 0.1659964286 16.79340668 2.45599029 2.78929547 9.38013951 4.10092466 1.3632684 1.28518624 0.08499624 0.16277564 2.85001117 0.01121076 -1.26561074 2.28590435 5.05583971 20.98565362 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 41340-25-4 3308 170464915 A Etodolac O=C(O)CC3(CC)OCCc2c3nc1c(cccc12)CC Tox21_110644_1 -NCGC00090708-05 196723263 tox21-ror-cho-viability-p1 set3 -1.1 2.7306020303 -53.2125590578 -7.7958047829 -61.0083638407 4.9549173134 0.940650029 0.0000212974 -5.55884327 -1.74766889 -19.16667241 -23.28995182 -5.9452147 -3.60256491 -2.01324468 -8.92990773 -1.84229798 -9.88704929 -52.77129745 -58.31221004 -63.73369004 -62.63412156 -56.8789989 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00165987-03 196723663 tox21-ror-cho-viability-p1 set3 4 74.9780386279 17.62552882 1.37447118 19 0.3 0.4062552992 0.2673141949 1.67421953 2.29167451 3.4240805 1.02094746 3.97677548 -1.35460735 2.52295948 2.05651653 8.47711693 9.92774018 7.42192618 2.36622708 3.92903551 5.1981803 14.93918539 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122-97-4 31234 170466871 F 3-Phenyl-1-propanol OCCCc1ccccc1 Tox21_113458_1 -NCGC00260124-01 196724074 tox21-ror-cho-viability-p1 set3 4 0.0014732818 13.090922904 -12.590922904 0.5 4.9549173134 0.3875511427 0.2853858484 -9.65910242 0.39636056 -0.87017999 -0.96960178 1.96998958 -1.13768962 -1.36327713 8.68578322 4.24765137 -2.22115259 1.19232031 -1.86883999 -2.82645419 -4.21326163 1.83710794 1.14E-9 2.55E-9 5.7019999999E-9 1.2749999999E-8 2.851E-8 6.375E-8 1.4249999999E-7 3.1869999999E-7 7.127E-7 0.000001594 0.000003564 0.000007969 0.00001782 0.00003984 0.00008909 2768-02-7 76004 144209773 F Vinyltrimethoxysilane C=C[Si](OC)(OC)OC Tox21_202575 -NCGC00260016-01 196724085 tox21-ror-cho-viability-p1 set3 4 14.9501988991 8.1785479999 -2.1785479999 6 4.9549173134 0.4215392782 0.2700121191 -0.5240631 4.30205823 2.896789 -0.04462572 -4.68702701 -6.39879 -3.1856432 -2.70465646 -2.5560833 -2.82602432 -4.15864041 -4.00483512 4.55786744 5.33852571 -9.62792605 1.154E-9 2.5809999999E-9 5.772E-9 1.291E-8 2.886E-8 6.453E-8 1.443E-7 3.227E-7 7.215E-7 0.0000016129999999 0.000003607 0.000008066 0.000018039999999 0.000040329999999 0.00009018 26780-96-1 8981 144209665 Cc D 1,2-Dihydro-2,2,4-trimethylquinoline, polymer CC2=CC(C)(C)Nc1ccccc12 Tox21_202467 -NCGC00244579-01 196724092 tox21-ror-cho-viability-p1 set3 4 30.6378586933 -24.4272224159 0 -24.4272224159 1.287561 0.6357075799 0.0727965576 -4.59991169 0.27530766 1.31835864 3.39860635 -10.80239113 1.04520713 7.03313099 -2.64067429 6.20176291 1.19600696 -6.53607661 -1.13983448 -10.70865045 -12.18405481 -20.35601868 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00159483-04 196697919 tox21-ror-cho-viability-p1 set1 4 1.93495311 5.82676811 4.18204056 2.58964876 1.98980448 -0.55086949 1.86661606 -0.35188954 5.16641273 1.33024579 0.79021914 -0.07630093 4.48609207 3.59264389 0.75158763 5.899E-11 1.319E-10 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 747-36-4 12947 170464696 F Hydroxychloroquine sulfate O=S(=O)(O)O.CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 Tox21_111707_1 -NCGC00016551-04 196705242 tox21-ror-cho-viability-p1 set1 4 37.5780357627 10.689367384 -0.689367384 10 4.9549173134 0.5262516191 0.1579604608 -4.32447282 -1.73969684 -2.38970632 -1.206594 -0.90095477 5.05550249 -1.55324271 0.84359846 -1.57233488 0.26243999 0.64557099 -0.2013313 0.28604168 -1.69462379 8.00673922 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 956-03-6 101925 170466009 A Meprylcaine hydrochloride Cl.CC(C)(COC(=O)c1ccccc1)NCCC Tox21_110489_1 -NCGC00257435-01 196707717 tox21-ror-cho-viability-p1 set1 4 7.6489481381 11.6494670721 0.3505329279 12 0.3 0.3873419877 0.2858729629 3.33180362 0.46336062 0.60549462 -0.54122256 2.60711887 1.13066321 5.66168389 6.79889911 2.94898731 4.90895179 0.58786102 11.67011956 7.72765327 1.97906903 11.20837 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.934E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091699999999 70-55-3 6269 144213814 A A 4-Toluenesulfonamide Cc1ccc(cc1)S(=O)(N)=O Tox21_303506 -NCGC00259943-01 196705649 tox21-ror-cho-viability-p1 set1 4 4.267761 0.38391117 2.28757678 -4.91539993 6.30381285 -0.74059677 1.45650424 0.49283222 8.22014017 0.0317121 0.24066634 -0.05124939 2.0768021 2.34953002 1.81524357 1.2089999999E-9 2.703E-9 6.045E-9 1.352E-8 3.023E-8 6.759E-8 1.511E-7 3.379E-7 7.556E-7 0.00000169 0.0000037779999999 0.000008448 0.00001889 0.00004224 0.000094459999999 622-97-9 12161 144209592 A Ac 4-Methylstyrene Cc1ccc(C=C)cc1 Tox21_202394 -NCGC00274074-01 196705228 tox21-ror-cho-viability-p1 set1 4 -0.43861807 1.95017036 6.00393281 2.48087493 0.27497341 0.53717108 -3.94442531 -2.73063341 0.28708196 0.49105827 -3.70974157 -0.42152956 0.09802398 5.98218984 5.60435466 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4536-30-5 24750 170466587 F F 2-(Dodecyloxy)ethanol OCCOCCCCCCCCCCCC Tox21_113966 -NCGC00259768-01 196705646 tox21-ror-cho-viability-p1 set1 -3 68.1016469048 -42.70116026 -4.346947866 -47.048108126 3.9899729863 0.7651200921 0.0152747297 -9.57752556 -3.21274121 -3.60320186 -11.41212613 -2.50685437 -0.26567174 -6.36291033 -2.20187737 -2.94348496 -10.04630868 5.93303311 -9.44640383 -8.78019507 -6.51480262 -37.53644555 1.173E-9 2.624E-9 5.867E-9 1.312E-8 2.934E-8 6.56E-8 1.4669999999E-7 3.28E-7 7.334E-7 0.0000016399999999 0.000003667 0.0000082 0.00001834 0.000041 0.00009168 77-09-8 4764 144209417 F Phenolphthalein Oc1ccc(cc1)C3(OC(=O)c2ccccc23)c4ccc(O)cc4 Tox21_202219 -NCGC00259877-01 196705658 tox21-ror-cho-viability-p1 set1 4 8.72325025 1.22407586 -0.57641376 0.20620239 1.46500104 0.17253271 -5.74561547 1.55910216 -15.50392169 7.20612702 1.77670952 1.72034489 -0.78323816 0.43692929 3.82569675 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.315E-8 2.9389999999E-8 6.573E-8 1.4699999999E-7 3.2859999999E-7 7.3489999999E-7 0.000001643 0.000003674 0.0000082159999999 0.00001837 0.00004108 0.000091859999999 11013-97-1 5284419 144209526 C C Methyl hesperidin COc1ccc(cc1OC)[C@@H]2CC(=O)c3c(O)cc(cc3O2)O[C@@H]5O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]5O Tox21_202328 -NCGC00259004-01 196705661 tox21-ror-cho-viability-p1 set1 4 -0.30316695 0.08571941 1.80322925 8.38896446 -1.22902871 1.4403945 1.05562608 0.61404589 3.52390778 14.00055212 -0.79987183 1.86718729 0.51009299 -0.33420478 -0.01903513 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 111-40-0 8111 144208651 Diethylenetriamine NCCNCCN Tox21_201453 -NCGC00259162-01 196706063 tox21-ror-cho-viability-p1 set1 4 0.4860711861 15.513839668 -14.013839668 1.5 0.7 0.7010622185 0.0376688122 -14.30902111 -14.26743088 -10.13071311 -11.98093404 -22.09486639 -3.7582519 -7.08837604 -8.14556767 -8.97917999 -2.90668349 0.07709003 -1.22703542 1.67692101 2.6431818 -2.12196069 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.476E-7 3.3009999999E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008253 0.00001846 0.00004127 0.000092279999999 99-54-7 7443 144208811 A Ac 3,4-Dichloronitrobenzene Clc1ccc(cc1Cl)[N+]([O-])=O Tox21_201613 -NCGC00091468-02 196706071 tox21-ror-cho-viability-p1 set1 4 -1.45356222 7.74429426 6.4679364 2.46231106 -1.68909468 0.70898047 7.05311096 6.01293776 8.01271008 0 1.49260889 3.54679961 2.42146365 0.53693843 0.52960761 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00259955-01 196706072 tox21-ror-cho-viability-p1 set1 4 1.44955154 3.21879726 3.52145272 1.49479071 2.004285 -0.65066249 -0.00295234 1.69581672 -0.54979681 5.92544106 -1.22671433 2.3945443 2.27520877 2.9127339 1.16005743 1.19E-9 2.661E-9 5.949E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003718 0.000008314 0.00001859 0.00004157 0.000092959999999 108-83-8 7958 144209604 AC Ac Diisobutyl ketone CC(C)CC(=O)CC(C)C Tox21_202406 -NCGC00259586-01 196706073 tox21-ror-cho-viability-p1 set1 4 4.53543153 3.42144476 2.27687925 11.29923998 6.10282717 0.89886834 1.81481396 1.62226145 -1.12031872 9.27676291 0.51162571 1.01919504 1.84526173 0.8280113 0.96512497 1.1689999999E-9 2.614E-9 5.844E-9 1.3069999999E-8 2.922E-8 6.5339999999E-8 1.461E-7 3.267E-7 7.305E-7 0.0000016329999999 0.000003653 0.000008167 0.00001826 0.00004084 0.000091309999999 88-06-2 6914 144209235 A A 2,4,6-Trichlorophenol Clc1cc(Cl)cc(Cl)c1O Tox21_202037 -NCGC00258939-01 196706075 tox21-ror-cho-viability-p1 set1 4 5.31778315 -7.47305477 1.65785694 0.99253099 0.3293016 1.5013058 -1.4410161 0.4027499 1.06125003 12.65962368 1.85107496 0.22033693 1.94728976 0.96209541 4.24038505 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.953E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008253 0.000018449999999 0.00004127 0.00009227 81-20-9 6672 144208586 A A 1,3-Dimethyl-2-nitrobenzene Cc1cccc(C)c1[N+](=O)[O-] Tox21_201388 -NCGC00259479-01 196706470 tox21-ror-cho-viability-p1 set1 4 0.0050291146 18.845716912 -19.845716912 -1 0.3 0.3573309302 0.3132012552 -14.87143076 -11.01053616 -12.08068668 -10.21411128 -1.57284243 -7.81410836 1.52528741 -6.4464687 -2.00029399 -12.63328693 -12.51435936 -1.93205756 -0.39557737 -1.09109538 0.37838667 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.794E-8 1.519E-7 3.397E-7 7.596E-7 0.0000016979999999 0.000003798 0.000008492 0.000018989999999 0.00004246 0.00009494 103-90-2 1983 144209128 A A Acetaminophen Oc1ccc(NC(C)=O)cc1 Tox21_201930 -NCGC00256602-01 196726992 tox21-ror-cho-viability-p1 set3 4 5.9270476 2.10160903 0.29329661 0.1325891 0.53046045 -0.39809181 0.86340446 -0.14254635 0.4944122 0.97567734 3.20638845 -3.7531792 0.16834553 2.46971489 2.27016908 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 536-60-7 325 144213114 A A 4-Isopropylbenzyl alcohol OCc1ccc(cc1)C(C)C Tox21_302797 -NCGC00257256-01 196727004 tox21-ror-cho-viability-p1 set3 4 -2.32329258 -3.94545164 2.6761866 1.35617331 -4.45730047 0.42831616 -9.60004763 -1.65986222 0 0 0 -0.42376837 1.32726123 -4.60273245 -0.75669556 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-99-4 7360 144213705 A Tetrahydrofurfuryl alcohol OCC1CCCO1 Tox21_303393 -NCGC00257119-01 196727000 tox21-ror-cho-viability-p1 set3 4 0.28608994 -1.40971818 -3.941786 0.14443644 0.00750273 2.72722718 0.51451644 1.42645291 0.81362405 3.4153749 2.71641883 -3.73412096 -2.70179224 4.07239551 5.02738279 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-63-4 8064 144213357 A A 1,4-Butanediol OCCCCO Tox21_303040 -NCGC00256849-01 196727003 tox21-ror-cho-viability-p1 set3 4 0.09379862 -0.09509156 -0.14442081 0.14024393 -0.34659587 -7.21826687 -4.96567738 -0.09103437 -0.13628016 -5.74868236 1.43669716 -3.25143534 -6.05056441 -2.20792389 -0.60923972 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2639-63-6 17525 144212762 A F Hexyl butyrate O=C(CCC)OCCCCCC Tox21_302445 -NCGC00256833-01 196727005 tox21-ror-cho-viability-p1 set3 -2.4 34.3762428541 -21.349280024 -1.5 -22.849280024 1.752947691 0.7945217065 0.0089316592 -5.07456843 -4.50356365 -4.12666306 -0.7256821 -6.78962311 0.02780813 0.70136184 1.49599834 1.18178975 -1.37023385 2.76259281 -4.4198725 -8.95338608 -11.68521453 -22.37440002 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-97-3 66760 144212789 A A 5-Chlorobenzotriazole Clc1cc2nnnc2cc1 Tox21_302472 -NCGC00257082-01 196727008 tox21-ror-cho-viability-p1 set3 -3 27.3060203028 -52.4545158549 1.6593495765 -50.7951662784 4.9549173134 0.9348199413 0.0000765034 -1.9751767 2.9852785 2.86567055 0.7447076 2.13745107 -1.40661059 0.70314991 1.65695405 -1.3983041 3.90137693 2.87672598 2.04453379 3.57286677 -52.91163154 -35.5811483 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-34-4 7648 144213427 A F 4,4'-Dithiodimorpholine S(SN1CCOCC1)N2CCOCC2 Tox21_303110 -NCGC00163906-02 196727409 tox21-ror-cho-viability-p1 set3 4 -2.3598228 -4.83288099 -3.45485961 -0.08206209 0.11093337 -0.15354383 -0.54805055 1.33160976 1.39966955 -2.39105536 0.02164106 -0.13295308 -0.5365482 -3.2112272 -2.44973307 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00257495-01 196727422 tox21-ror-cho-viability-p1 set3 4 -0.24497393 -1.29143853 -1.13917675 0.04850912 -2.4271333 -0.29604942 -2.70740099 -0.10581024 -10.32552254 -0.33965271 -9.51290069 4.69983304 1.23788112 2.57881536 1.42834808 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 120-92-3 8452 144213867 A Ac Cyclopentanone O=C1CCCC1 Tox21_303562 -NCGC00256241-01 196727824 tox21-ror-cho-viability-p1 set3 4 1.61334699 2.70491946 7.76185537 11.50703036 10.4503684 6.24763849 10.40756494 -7.24085423 -8.21410173 11.05353564 -7.84879181 -5.76885782 8.1568238 12.84316786 4.59729055 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-69-6 5371002 144212623 D F alpha-Irone CC1CC=C(C)C(/C=C/C(C)=O)C1(C)C Tox21_302306 -NCGC00255140-01 196727831 tox21-ror-cho-viability-p1 set3 4 -7.82924293 -3.22389198 7.0811899 4.21638312 6.86237324 -7.51874575 9.19905933 -10.93107231 9.37064866 -10.11054774 10.2436401 -10.97094831 -10.96340032 -6.40826695 -9.25562473 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 31698-14-3 25051 144212132 F A Cyclocytidine N=C2N=C3O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1N3C=C2 Tox21_301815 -NCGC00255716-01 196727832 tox21-ror-cho-viability-p1 set3 4 -5.09434177 -0.12123373 -2.42394501 6.57370157 -1.60874166 4.66906886 2.78476074 -1.05520388 2.93719488 -0.09777177 6.68615784 1.09625028 -2.01850455 0.11157294 0.508652 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1501-27-5 73917 144211755 Z A 5-Methoxy-5-oxopentanoic acid OC(=O)CCCC(=O)OC Tox21_301438 -NCGC00256164-01 196728242 tox21-ror-cho-viability-p1 set3 4 2.1689942904 -3.7786914639 2 -1.7786914639 4.9549173134 0.4188208536 0.2750502444 2.42460988 2.93600156 -0.01496045 2.62817913 -1.50778574 0.05174776 2.63399053 2.71769417 6.47060606 1.25482481 -2.79796859 -0.53771734 -4.81557622 0.51909523 1.02864136 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27253-29-8 60196430 144212711 Fns Zinc neodecanoate [Zn+2].[O-]C(=O)C(C)(CC)CCC(C)C.CC(C)CCC(C)(CC)C([O-])=O Tox21_302394 -NCGC00255191-01 196728659 tox21-ror-cho-viability-p1 set3 1.4 0.0019331182 22.084317448 -22.084317448 0 4.9549173134 0.9095290369 0.0001962531 -20.07026454 -4.08376513 1.40073446 -0.1484605 2.85091173 -0.47715868 -2.82066169 -0.79806281 3.00147777 -0.91870324 1.88545714 0.03827604 -0.6222734 -2.17612333 0.86269063 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2495-37-6 17236 144212029 A A Benzyl methacrylate C=C(C)C(=O)OCc1ccccc1 Tox21_301712 -NCGC00166006-02 196722893 tox21-ror-cho-viability-p1 set3 4 0.96010214 -1.54119084 -3.67548576 -0.32283716 -2.08256692 0.26347679 -2.26236685 -3.59661902 -1.99809312 -7.64564836 -7.01960939 -5.69047743 -6.54878954 -7.97348932 9.93123162 5.899E-12 1.319E-11 2.949E-11 6.595E-11 1.475E-10 3.2969999999E-10 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 56-89-3 67678 170465457 F L-Cystine N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O Tox21_112162_1 -NCGC00181290-01 196723291 tox21-ror-cho-viability-p1 set3 4 7.4978038628 -8.948936348 1.5 -7.448936348 4.9549173134 0.4447679508 0.2475210661 0.04432547 -0.84909595 -0.53116879 -0.54922333 1.6775971 1.85611362 0.00695308 -1.01869882 -1.41557006 5.83826772 9.61830231 4.64005251 -5.49644199 -7.04078029 11.46837247 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1239-29-8 14708 144206325 A A Furazabol C[C@]5(O)CC[C@@H]4[C@]5(C)CC[C@H]1[C@H]4CC[C@H]2Cc3nonc3C[C@]12C Tox21_112772 -NCGC00015462-14 196722877 tox21-ror-cho-viability-p1 set3 4 23.7101376556 16.5841662439 -9.5841662439 7 4.9549173134 0.548801522 0.1367063625 -10.74020634 -15.33233886 -11.96789941 -8.61436687 -9.6292251 -14.32000082 -15.90347187 -10.65172629 -2.11822271 -4.99477249 -4.82608258 -7.42662619 -10.60848676 -3.92987928 6.1184703 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 29094-61-9 3478 170465089 A Glipizide Cc1cnc(cn1)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3 Tox21_110156_1 -NCGC00015146-11 196722890 tox21-ror-cho-viability-p1 set3 2.4 33.4914596268 22.632478048 1.367521952 24 4.5044702849 0.7960335043 0.008694043 5.87877687 -0.73949098 -1.37420073 4.90814403 2.97122644 -1.77706504 -0.66807329 0.30239156 2.6218388 3.46634065 2.69413979 -1.57915948 1.09033526 3.68278157 19.55127755 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2391-03-9 6433334 170465028 A Dexbrompheniramine maleate O=C(O)/C=C\C(=O)O.Brc1ccc(cc1)[C@H](CCN(C)C)c2ccccn2 Tox21_112000_1 -NCGC00263654-01 196723296 tox21-ror-cho-viability-p1 set3 4 -0.43060034 -2.09784086 3.28093234 1.32720448 -3.32626221 3.88385964 -0.00347813 3.94905798 -4.30900574 5.09410238 7.33399274 0.57638997 -0.32329833 5.06458873 5.95212038 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62658-63-3 44112 170466106 B Bopindolol CC(C)(C)NCC(OC(=O)c1ccccc1)COc3cccc2nc(C)cc23 Tox21_112017_1 -NCGC00025177-08 196723301 tox21-ror-cho-viability-p1 set3 4 0.2984929481 11.963567952 -2.463567952 9.5 4.9549173134 0.5302570156 0.1518170715 -0.94095882 0.22718251 -1.52725231 1.69591037 0.69652042 -8.45824294 -8.71963996 -3.2256913 6.64869262 8.50077317 9.437209 6.43688667 5.34280171 1.18035437 24.34472443 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 145-63-1 5361 170466101 F Suramin O=S(=O)(O)c1cc(cc2c1c(ccc2S(=O)(=O)O)NC(=O)c8cc(NC(=O)c3cc(ccc3)NC(=O)Nc4cccc(c4)C(=O)Nc5cc(ccc5C)C(=O)Nc7ccc(c6cc(cc(c67)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)c(C)cc8)S(=O)(=O)O Tox21_112045_1 -NCGC00274062-01 196723309 tox21-ror-cho-viability-p1 set3 -2.4 29.8492948118 -35.28526566 2 -33.28526566 2.3031167061 0.8301551458 0.0039443278 8.10589091 -0.64094305 1.4584574 -0.59161676 6.12185783 -2.28411497 0.84483837 -1.47123191 4.8390535 7.50695381 1.2566617 -1.0074269 -0.71268688 -8.69985001 -24.40438805 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 167465-36-3 153997 170465595 A F Zosuquidar trihydrochloride Cl.Cl.Cl.FC3(F)[C@@H]2c7ccccc7[C@H](c1ccccc1[C@@H]23)N4CCN(CC4)C[C@@H](O)COc6cccc5ncccc56 Tox21_113964 -NCGC00357152-01 196723713 tox21-ror-cho-viability-p1 set3 4 0.0172289341 13.5215908999 -3.0215908999 10.5 4.9549173134 0.7119543086 0.0330185197 -0.85037383 4.23462266 -12.10132575 0.13832227 11.07418996 12.06817605 11.53021925 12.47130371 9.09293513 12.57483558 11.79108906 5.9723447 7.54863369 9.37209217 11.30842629 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4584-49-0 94294 251919674 2-Chloropropyldimethylamine hydrochloride Cl.CC(Cl)CN(C)C Tox21_303897 -NCGC00356953-01 196723717 tox21-ror-cho-viability-p1 set3 -1.2 2.9081026162 -43.7479660244 1.2792379229 -42.4687281015 4.5044702849 0.9436479286 0.0000161128 -7.52623581 -1.57499418 3.7895374 3.40309194 9.22502982 3.56632434 3.41135546 0.08211854 4.19250315 1.08602613 -6.87160853 -6.45284749 -38.45443864 -42.98259095 -40.52250386 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 147526-32-7 60196288 251919808 Ac Pitavastatin calcium [Ca+2].[O-]C(=O)C[C@H](O)C[C@H](O)/C=C/c3c(c1ccc(F)cc1)c4ccccc4nc3C2CC2.[O-]C(=O)C[C@H](O)CC(O)/C=C/c1c(c3ccccc3nc1C2CC2)c4ccc(F)cc4 Tox21_303926 -NCGC00254250-01 196720475 tox21-ror-cho-viability-p1 set3 4 0.0164087649 17.9689901959 -20.0947327279 -2.125742532 0.5 0.8285552058 0.0041351738 -13.97694483 -20.07894394 -12.33645058 -7.77945158 -9.91523638 -10.63303827 -6.34858464 -5.35407808 -4.40050726 -5.20293907 -2.52185398 -0.52145211 -1.58575074 -2.82200774 -4.59700103 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 2795-39-3 23669238 144210862 PFOS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300544 -NCGC00090952-07 196699187 tox21-ror-cho-viability-p1 set1 4 12.4083198704 8.5270260279 -0.5270260279 8 2.2526478767 0.6224466562 0.0959171228 -1.71969334 -1.1119681 1.0531804 -1.75317559 0.66750493 0.4859006 1.73726519 -1.78879669 -2.52252169 0.14130772 1.153067 -1.41689933 9.85230709 5.39184377 0.03929924 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00091775-03 196699168 tox21-ror-cho-viability-p1 set1 -1.2 4.8409629131 -36.5572128264 0.8926209949 -35.6645918315 2.4063783767 0.986985659 3.9E-9 1.59065829 -0.91621158 -1.07528501 1.07186014 0.9935428 1.3273332 -0.23162211 0.868568 2.49546428 -0.04508442 -13.77468724 -26.49512501 -34.7393136 -38.57832577 -32.23933216 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00254765-01 196699176 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -17.194095304 2.5 -14.694095304 4.5044702849 0.7121882787 0.0332602015 1.50135743 4.7591053 1.66840959 1.62115005 0.45087056 0.05425608 1.09756569 0.45390936 4.89371784 7.95558762 2.76358321 2.17454591 -0.09140167 1.04357117 -10.99507942 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 72490-01-8 51605 144211526 A A Fenoxycarb O=C(OCC)NCCOc1ccc(cc1)Oc2ccccc2 Tox21_301209 -NCGC00253974-01 196699186 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -21.416023712 -1 -22.416023712 4.9549173134 0.756981702 0.0175710161 -1.68991102 0.00188935 3.88745233 0.3795409 -5.55317038 -0.03400478 -0.24511548 -1.60981605 -1.055528 -1.96322718 4.13766519 -4.4170132 -3.15805727 -1.54249933 -18.68001976 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2921-88-2 2730 144210468 B C Chlorpyrifos Clc1cc(Cl)c(Cl)nc1OP(=S)(OCC)OCC Tox21_300148 -NCGC00253987-01 196699597 tox21-ror-cho-viability-p1 set1 4 5.3873775652 -7.868700032 -0.5 -8.368700032 4.9549173134 0.705861315 0.0445138368 2.05194676 -1.89079881 -5.27989489 -1.30308265 1.57913456 -0.08848478 0.41663129 1.75766104 0.59439406 -1.63226817 -0.76953266 -9.31730076 -5.48834133 -9.89058336 -1.72977349 1.1689999999E-9 2.6129999999E-9 5.843E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.461E-7 3.2659999999E-7 7.3029999999E-7 0.0000016329999999 0.000003652 0.0000081649999999 0.00001826 0.000040829999999 0.00009129 112-53-8 8193 144210440 A A 1-Dodecanol CCCCCCCCCCCCO Tox21_300120 -NCGC00090789-02 196699598 tox21-ror-cho-viability-p1 set1 4 43.2771256911 11.00758788 -1.00758788 10 0.4 0.4870079904 0.1932547769 -1.19083873 2.99519881 -3.42736928 -4.1729899 1.77245091 1.78777095 -1.82821511 1.2748044 2.57990901 -0.93399517 3.52528754 2.11026894 3.10732608 3.39516973 6.67530525 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00163735-04 196699602 tox21-ror-cho-viability-p1 set1 4 72.7253077472 -19.077891532 0.5 -18.577891532 4.9549173134 0.5915745273 0.1034171472 -1.66991281 2.03187489 1.39408818 2.21206283 3.26734312 0.628295 1.51193778 -0.02272304 0.20059313 2.60885615 2.10927885 2.30853982 -10.19435127 2.42407724 -15.06490961 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00254419-01 196699605 tox21-ror-cho-viability-p1 set1 4 -1.45559553 3.16029475 2.71707442 2.51087928 1.45918978 0.45783341 3.42810063 -0.83179992 1.45378207 0.59335241 2.6076235 2.05651275 2.31119544 0.95887477 -0.44299743 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-55-3 5954 144210817 D Benz(a)anthracene c1c4ccccc4cc3c1ccc2ccccc23 Tox21_300499 -NCGC00254099-01 196699996 tox21-ror-cho-viability-p1 set1 4 1.15010363 3.91664622 -0.83830999 -2.11226359 -1.5336763 1.3176529 0.56452767 2.53518696 -0.98760114 -1.45197117 1.83832555 2.55129156 0.86812836 0.99717788 0.95357296 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 111-87-5 957 144210416 A A 1-Octanol CCCCCCCCO Tox21_300096 -NCGC00254278-01 196700019 tox21-ror-cho-viability-p1 set1 4 1.63301994 1.10966577 1.34749203 -5.65855874 1.51479294 -0.14135777 0.47234734 2.23163692 -0.72000022 -7.58239189 1.01479403 1.55714898 -0.21809767 1.06892514 -4.78734264 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-04-8 8831 144210671 A A Diisobutyl adipate CC(C)COC(=O)CCCCC(=O)OCC(C)C Tox21_300353 -NCGC00262925-01 196722432 tox21-ror-cho-viability-p1 set3 4 0.2984929481 -14.5725328159 8.5 -6.0725328159 4.9549173134 0.5140400503 0.1821462682 -6.15842743 14.5221219 15.77413017 13.9741774 8.0146111 -4.91399615 11.7961768 13.69764045 -4.67048846 -9.22711068 -8.80148862 -4.97472134 -5.89420824 -0.19016728 16.70207502 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 86408-72-2 72187528 170466790 F A Ecabet sodium [Na+].CC(C)c2cc3CC[C@@H]1[C@](C)(CCC[C@@]1(C)C([O-])=O)c3cc2S(=O)(=O)O Tox21_113921 -NCGC00259752-01 196722046 tox21-ror-cho-viability-p1 set3 4 -12.5983639 -7.31683353 -8.45098774 -4.41493057 -11.32519535 -11.93667304 -13.30072613 -22.56091191 -6.63564362 -6.0131901 -12.02794241 -13.34963518 -11.08621205 -14.19490457 -4.62303719 1.208E-9 2.7E-9 6.038E-9 1.3499999999E-8 3.019E-8 6.75E-8 1.509E-7 3.375E-7 7.547E-7 0.0000016879999999 0.0000037739999999 0.000008438 0.00001887 0.000042189999999 0.00009434 30516-87-1 35370 144209401 A A 3'-Azido-3'-deoxythymidine CC1=CN(C(=O)NC1=O)[C@H]2C[C@H](\N=[N+]=[N-])[C@@H](CO)O2 Tox21_202203 -NCGC00257482-01 196707303 tox21-ror-cho-viability-p1 set1 4 30.6378586933 11.4643706599 -0.4643706599 11 4.9549173134 0.687195044 0.0543050132 2.04271405 1.04007432 1.4434923 -0.15592634 -0.58838338 -1.1733236 -2.58165014 -1.61974436 -2.14830752 1.93007562 -1.96417357 -0.34000596 -4.13697555 11.8556402 2.22960006 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2530-85-0 17318 144213668 F Bc 3-(Trimethoxysilyl)propyl methacrylate CO[Si](CCCOC(=O)C(=C)C)(OC)OC Tox21_303351 -NCGC00259110-01 196706495 tox21-ror-cho-viability-p1 set1 4 0.2458421547 13.33339116 -13.33339116 0 0.3 0.3437932576 0.3264220431 -6.07379197 -14.05740223 -12.58926583 -16.1111593 -0.20864787 -7.37282836 -7.19317642 -9.26047509 -3.56022899 -0.89931067 -3.17869428 -8.01575836 -8.44631031 0.55401907 0.24873146 1.19E-9 2.6619999999E-9 5.9519999999E-9 1.331E-8 2.976E-8 6.655E-8 1.4879999999E-7 3.3269999999E-7 7.44E-7 0.0000016639999999 0.00000372 0.000008319 0.0000186 0.00004159 0.000093 109-52-4 7991 144208759 A A Pentanoic acid CCCCC(=O)O Tox21_201561 -NCGC00259267-01 196706886 tox21-ror-cho-viability-p1 set1 4 61.4415298105 -15.198758352 3 -12.198758352 2.9522712143 0.6781441366 0.0491635761 4.23697063 1.97406128 2.35433523 2.42027879 7.40416329 1.08916013 5.39120244 0.39684159 7.34704212 2.98910341 3.43423466 1.5496494 0.03379258 0.17466338 -8.91563196 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6239999999E-8 1.481E-7 3.312E-7 7.405E-7 0.000001656 0.0000037029999999 0.000008279 0.00001851 0.0000414 0.000092569999999 25155-30-0 23707968 144208916 FNS Sodium dodecylbenzenesulfonate [Na+].O=S([O-])(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_201718 -NCGC00259988-01 196706888 tox21-ror-cho-viability-p1 set1 4 0.3872773009 4.471210844 -1.471210844 3 4.9549173134 0.3993510426 0.2914256452 -3.91649472 -0.30858575 -0.1576768 0.71715648 -0.6363939 -0.61578247 -4.55934237 -0.37022725 5.20459587 10.03445717 1.38914509 0.03399219 -0.37392483 3.1054568 -0.54422716 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.96E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 94-59-7 5144 144209637 A A Safrole C=CCc1ccc2OCOc2c1 Tox21_202439 -NCGC00018221-08 196707317 tox21-ror-cho-viability-p1 set1 4 0.001554288 -10.231042212 2 -8.231042212 4.9549173134 0.4439994095 0.2324623585 0.64958998 -8.41040083 -3.35186441 -9.98049346 -5.41435329 -8.29494026 -7.70453165 -12.27586851 -8.21457332 -10.35298716 -10.44872933 -5.1310749 -9.3768754 -9.17312088 -4.53880948 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.331E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00090773-04 196707718 tox21-ror-cho-viability-p1 set1 4 -3.37932647 -9.63351761 -13.54075156 -7.08905424 -14.80021286 -18.44699705 -11.90381367 -14.77332995 -12.40535144 -19.04279798 -23.76196632 0.91803676 -16.2989171 -5.36465652 -8.62041144 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.0000016739999999 0.000003742 0.000008368 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00256688-01 196707722 tox21-ror-cho-viability-p1 set1 4 -9.78677169 -5.23067214 -4.54386773 -10.48736367 -11.20625378 -13.96535224 -13.58108057 -16.15227133 -18.10389853 -15.89891523 -12.29220089 -2.70008316 -19.89894318 -6.89646517 -0.39825053 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 828-26-2 13233 144212898 A Ac Trithioacetone CC1(C)SC(C)(C)SC(C)(C)S1 Tox21_302581 -NCGC00250401-02 196704441 tox21-ror-cho-viability-p1 set1 -1.1 0.2371013766 -76.7240340749 1.409121917 -75.3149121579 2.8472712143 0.9842607505 1.18E-8 0.09332372 -0.54465232 4.59867698 0.86993479 -0.04025081 2.66831444 1.11692657 -19.9393408 -55.97938702 -78.31856102 -81.31010385 -76.67665402 -78.25097916 -74.3744514 -61.13186454 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 131740-09-5 9910986 170466414 A Flavopiridol Cl.CN4CC[C@H](c3c(O)cc(O)c1c3OC(=CC1=O)c2ccccc2Cl)[C@H](O)C4 Tox21_113396_1 -NCGC00164449-04 196704434 tox21-ror-cho-viability-p1 set1 4 0.26148622 2.3089105 -1.62883714 -0.00720666 -2.7281671 -2.28778904 -1.95191512 -1.56473429 -1.07139324 0.3679248 1.71520146 0.08324469 -0.56964965 -0.33406662 -2.23294536 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00015323-11 196704437 tox21-ror-cho-viability-p1 set1 4 1.0936551 1.15266328 -0.28147398 0.43672766 -2.79467123 0.24812927 2.02934409 3.46263955 -0.33303662 -0.2307866 -5.70163713 0.73141786 -0.40937248 0.84808501 0.38375445 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 541-22-0 10921 170465349 F Decamethonium bromide [Br-].[Br-].C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C Tox21_112035_1 -NCGC00164173-06 196704438 tox21-ror-cho-viability-p1 set1 4 1.76492916 3.98538491 0.9011831 -1.94921503 0.54448761 1.02282824 3.04198887 1.4489741 5.73942415 1.30213798 0.33559186 0.28989172 3.71358322 -0.18547243 5.34532659 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1843-05-6 15797 170466327 A Octabenzone O=C(c1ccc(cc1O)OCCCCCCCC)c2ccccc2 Tox21_112089_1 -NCGC00094532-06 196704833 tox21-ror-cho-viability-p1 set1 4 0.1297516 2.23321877 2.58014834 2.38498274 2.58123185 0.27327313 0.08859609 3.59242584 2.49220762 0.50683379 2.43652402 2.19596559 1.30934815 -0.1623426 2.53717716 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00258559-01 196729916 tox21-ror-cho-viability-p1 set3 4 -1.66350727 -1.40682113 -3.52858942 -1.35302265 -4.66340257 -2.44289877 1.98805588 0.15445773 0.56771759 -0.90804481 0.13953196 1.20611065 1.58286598 -0.31973217 -3.83455566 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.613E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.00001848 0.00004133 0.00009242 7585-39-9 444041 144208204 A beta-Cyclodextrin OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O Tox21_201006 -NCGC00257911-01 196729507 tox21-ror-cho-viability-p1 set3 4 2.9064667193 -8.0673956399 0 -8.0673956399 4.9549173134 0.3699663757 0.3171315726 0.72853386 -0.97961287 -0.47359057 -1.47079674 -0.31587624 -0.01367032 -1.22540864 -1.37956991 5.7892767 -1.68611323 -5.87786963 -20.4728297 -5.38392109 1.04799227 5.29686954 1.243E-9 2.7789999999E-9 6.2139999999E-9 1.3899999999E-8 3.107E-8 6.948E-8 1.554E-7 3.4739999999E-7 7.768E-7 0.000001737 0.0000038839999999 0.000008685 0.00001942 0.00004342 0.000097099999999 75-35-4 6366 144207555 FNS 1,1-Dichloroethylene C=C(Cl)Cl Tox21_200357 -NCGC00257938-01 196729510 tox21-ror-cho-viability-p1 set3 -2.2 48.6565118999 -70.8249971458 -0.548700099 -71.3736972448 1.713743691 0.9924962645 2E-10 -2.82378524 -0.34335711 1.03723035 -0.63451606 0.02054499 -1.51590076 -1.84177396 0.07633539 0.8633065 0.24848835 -0.2625154 -4.56268046 -13.55672969 -28.81626973 -54.44977064 1.182E-9 2.6429999999E-9 5.9109999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.304E-7 7.3889999999E-7 0.0000016519999999 0.0000036939999999 0.000008261 0.000018469999999 0.000041299999999 0.000092359999999 97-18-7 2406 144207582 A A Bithionol Oc2c(Sc1cc(Cl)cc(Cl)c1O)cc(Cl)cc2Cl Tox21_200384 -NCGC00257965-01 196729907 tox21-ror-cho-viability-p1 set3 4 0.1761511007 3.33424634 0.66575366 4 1.21 0.343136524 0.3474123439 -1.11187195 0.51972673 1.5108966 2.63314944 0.49868125 1.48744844 0.58678118 1.18095518 6.67472752 9.52636363 2.72033219 3.00292865 2.57952668 2.24476269 -0.63918357 1.202E-9 2.687E-9 6.008E-9 1.3429999999E-8 3.0039999999E-8 6.7169999999E-8 1.5019999999E-7 3.359E-7 7.51E-7 0.000001679 0.0000037549999999 0.000008396 0.00001878 0.000041979999999 0.000093879999999 54-21-7 16760658 144207609 A A Sodium salicylate [Na+].O=C([O-])c1ccccc1O Tox21_200411 -NCGC00258608-01 196730321 tox21-ror-cho-viability-p1 set3 4 0.1084861629 10.1687294319 -0.6687294319 9.5 3.0654483358 0.5967195356 0.1135775204 1.08851566 -0.88679318 0.66371238 -3.89060786 0.20416225 -0.48844783 7.89973748 12.3215498 11.43673361 14.44305289 16.03994114 4.68121291 2.09343015 3.74386035 2.67447713 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.365E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.00004117 0.00009206 70831-56-0 5281764 144208253 A A L-Cichoric acid Oc2ccc(/C=C/C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O)cc2O Tox21_201055 -NCGC00164449-04 196728744 tox21-ror-cho-viability-p1 set3 4 0.0096885416 6.791041548 -4.291041548 2.5 4.9549173134 0.3792987281 0.3091387538 2.97690897 -9.40920129 -6.71133329 3.6521165 6.3099799 -2.24856771 0.26023042 4.0209603 0.95599711 2.09669883 7.48015612 1.78959076 3.47792869 -0.03910814 -2.37579133 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00255228-01 196728323 tox21-ror-cho-viability-p1 set3 4 5.6007727689 -15.823016724 -1.22312578 -17.046142504 1.5094870999 0.9776871781 9.01E-8 -0.366757 -1.58089934 -1.28075515 -2.4293237 -0.18593815 -1.32796582 -1.14304548 -0.32744324 -0.82624387 -3.07010476 -7.38352541 -9.86911052 -16.15928777 -14.95889427 -17.12178542 1.097E-9 2.4529999999E-9 5.486E-9 1.2269999999E-8 2.7429999999E-8 6.133E-8 1.371E-7 3.0669999999E-7 6.857E-7 0.0000015329999999 0.0000034289999999 0.000007667 0.00001714 0.000038329999999 0.000085709999999 17372-87-1 11048 144212469 A Fns Eosin [Na+].[Na+].[O-]C(=O)c4ccccc4C=2c3cc(Br)c([O-])c(Br)c3OC=1C=2C=C(Br)C(=O)C=1Br Tox21_302152 -NCGC00163930-04 196728332 tox21-ror-cho-viability-p1 set3 4 5.4427271877 12.95113658 -2.95113658 10 4.9549173134 0.3273257301 0.3562749612 2.07647626 -1.94018253 0.23883942 -1.8145029 -3.90713545 -10.65861244 -7.58105241 -11.62594715 5.59224936 4.48009561 -8.95007239 18.4489274 16.84723754 -4.89676059 0.98361889 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00256270-01 196728741 tox21-ror-cho-viability-p1 set3 4 13.6854287769 12.8531727559 -2.8531727559 10 4.4494702849 0.6058915023 0.1068971705 -1.38918889 3.02171389 1.09876019 -1.3186413 -5.72492148 -4.17414074 -0.18544478 -1.35848872 -7.79431063 -1.65133906 -5.26832258 -6.90329529 9.73652232 8.45941805 1.50201745 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-27-7 66609 144211718 A Fc 2,6-Di-tert-butyl-4-[(dimethylamino)methyl]phenol CC(C)(C)c1cc(cc(c1O)C(C)(C)C)CN(C)C Tox21_301401 -NCGC00255792-01 196728752 tox21-ror-cho-viability-p1 set3 4 -1.17258526 2.91614692 1.30297285 0.9985705 3.52634727 -0.00338772 3.0454297 4.20709805 4.23776882 2.50286208 3.19889926 0.3496207 7.98986941 -1.04781113 -0.39901638 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1497-49-0 5702667 144212419 F A N,N'-Penta-1,3-dien-1-yl-5-ylidenedianiline hydrochloride Cl.C(=C/Nc1ccccc1)\C=C\C=N\c2ccccc2 Tox21_302102 -NCGC00095042-06 196699223 tox21-ror-cho-viability-p1 set1 4 2.36556704 0.3261705 -2.95685752 0.18553443 3.32416739 -0.3183773 0.15191506 -2.80892675 1.07325417 0.85871126 -0.26726602 0.48628824 4.05852962 0.81263409 0.1980699 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00253718-01 196698401 tox21-ror-cho-viability-p1 set1 4 0.16785492 -3.7469541599 3 -0.7469541599 4.9549173134 0.4108947052 0.283076359 0.14376855 3.52423174 1.3294925 1.47227059 2.86746178 3.88791603 6.68992942 1.11868927 -2.43250971 -0.14634257 -4.3724618 1.10157554 1.93471455 0.07267562 5.09750324 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61516-73-2 109094 170466722 A A Ethyl 2-oxopyrrolidin-2-ylacetate O=C(OCC)CN1CCCC1=O Tox21_113837 -NCGC00163774-04 196698802 tox21-ror-cho-viability-p1 set1 4 44.822031193 6.4108320599 -1.4108320599 5 2.2481167061 0.3909260556 0.2862181305 -1.68364959 0.28996478 -1.90992012 -3.50795488 0.607625 -0.14274674 -2.57540373 0.2852145 0.326737 0.35754646 -6.59236005 -2.65541617 0.68154149 1.30561852 4.19883097 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00254693-01 196699216 tox21-ror-cho-viability-p1 set1 4 0.29155243 0.39550539 -0.28715113 3.78579369 -1.80524223 3.42907612 -0.03366314 0.11272253 2.85825367 1.4560893 2.58838839 0.00776726 2.03797117 3.09210354 1.57576044 1.742E-9 3.896E-9 8.7119999999E-9 1.948E-8 4.356E-8 9.741E-8 2.1779999999E-7 4.87E-7 0.0000010889999999 0.000002435 0.000005445 0.000012179999999 0.00002723 0.00006088 0.0001361 513-85-9 262 144211106 I A 2,3-Butanediol CC(O)C(C)O Tox21_300789 -NCGC00255013-01 196699234 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -27.336755632 0.5 -26.836755632 4.9549173134 0.9576134273 0.0000034166 -0.75346302 1.40281857 0.76806192 0.05961288 0.19877758 0.95540494 1.53725407 -0.77008014 1.29000712 0.76441522 -1.91873921 -0.39982139 2.01188631 0.70957734 -21.94729636 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_24824 22833489 144211430 FC Chlorinated paraffins:C12, 60% chlorine ClC(CC(Cl)C(Cl)C(Cl)CC)C(Cl)C(C)Cl Tox21_301113 -NCGC00091839-03 196699634 tox21-ror-cho-viability-p1 set1 -2.4 27.3060203028 -21.16851868 -4 -25.16851868 4.9549173134 0.798727314 0.0081770457 -2.43401811 -2.33598061 -7.53609396 -9.39893489 -3.44577378 -7.36804862 -2.23988764 -3.91209109 2.43198026 -5.22901538 -3.32405988 -6.3346874 -1.94931407 -28.0570989 -21.2447282 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00258931-01 196721680 tox21-ror-cho-viability-p1 set3 4 27.8344740659 15.3623751839 -4.8623751839 10.5 4.9549173134 0.7709922626 0.0138959374 -3.56412486 -3.41515181 -12.80197932 -1.70436852 -4.4735546 -7.73832314 -5.32430031 -5.50965735 -5.85136917 -2.21934821 -2.76511933 -2.35756814 -3.74598708 8.97201542 10.06757235 1.1989999999E-9 2.6809999999E-9 5.9959999999E-9 1.3409999999E-8 2.998E-8 6.703E-8 1.4989999999E-7 3.352E-7 7.495E-7 0.000001676 0.000003747 0.0000083789999999 0.000018739999999 0.000041899999999 0.00009368 100-18-5 7486 144208578 AC D 1,4-Diisopropylbenzene CC(C)c1ccc(cc1)C(C)C Tox21_201380 -NCGC00091657-02 196721299 tox21-ror-cho-viability-p1 set3 4 27.3060203028 17.878228124 -2.878228124 15 1.24751 0.7696264686 0.0142387865 -2.63101566 0.24832632 -4.63285457 -2.10276479 -5.73185677 -4.6258195 -3.57171985 -5.40959546 -4.03908966 3.22936123 0.14849278 0.89328742 -0.29550394 11.64310225 11.40438871 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00259930-01 196721677 tox21-ror-cho-viability-p1 set3 -2.2 59.7035328925 -48.1530191621 -2.9931576919 -51.146176854 3.1319983358 0.9369285658 0.0000295972 -5.03602447 0.01107733 -1.431472 3.91174597 -3.19068152 -5.94579633 -5.35547238 -3.8801079 -5.56660481 -1.11652197 -4.45363191 -4.59785941 -4.8369568 -13.76792118 -41.01983095 1.157E-9 2.5879999999E-9 5.7869999999E-9 1.2939999999E-8 2.894E-8 6.471E-8 1.447E-7 3.235E-7 7.234E-7 0.000001618 0.000003617 0.000008088 0.000018089999999 0.00004044 0.00009043 205-99-2 9153 144209579 A A Benzo(b)fluoranthene c1cccc5c1cc4c2c5cccc2c3ccccc34 Tox21_202381 -NCGC00259531-01 196721678 tox21-ror-cho-viability-p1 set3 4 -1.40917367 0.37154438 3.55257364 7.45806004 0.30167321 0.41857076 1.59354355 -1.56854907 -0.99152535 -0.74971316 -1.97042895 0.24919271 -0.25156209 2.00964181 5.67537148 1.166E-9 2.606E-9 5.8279999999E-9 1.303E-8 2.9139999999E-8 6.516E-8 1.457E-7 3.2579999999E-7 7.285E-7 0.000001629 0.0000036429999999 0.0000081449999999 0.00001821 0.00004073 0.00009106 100-47-0 7505 144209180 A Fns Benzonitrile N#Cc1ccccc1 Tox21_201982 -NCGC00259225-01 196721685 tox21-ror-cho-viability-p1 set3 4 -5.08731642 2.47191119 -0.91177057 -0.43736546 -2.13609161 -2.54460149 -3.06386532 -2.61307709 -3.03373951 -1.90081729 -2.57281439 -3.3269625 -2.76524132 -1.06826247 -1.65005515 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041219999999 0.00009218 36734-19-7 37517 144208874 A A Iprodione O=C2CN(C(=O)NC(C)C)C(=O)N2c1cc(Cl)cc(Cl)c1 Tox21_201676 -NCGC00259705-01 196721689 tox21-ror-cho-viability-p1 set3 4 -9.46783482 -3.11619815 -2.96029891 0.67096655 -6.37697941 -6.48269218 -8.67348664 -6.30048016 -12.97047555 1.97767547 -7.92268903 -9.17561858 -8.11107581 2.04179561 -8.88275998 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.481E-7 3.311E-7 7.4029999999E-7 0.000001655 0.000003701 0.0000082769999999 0.00001851 0.00004138 0.00009253 689-67-8 19633 144209354 A A 6,10-Dimethyl-5,9-undecadiene-2-one C/C(C)=C\CCC(C)=CCCC(C)=O Tox21_202156 -NCGC00164584-03 196723699 tox21-ror-cho-viability-p1 set3 4 0.2113168243 -6.3826088759 0.5 -5.8826088759 2.4729283767 0.6530131661 0.0747048768 -0.15827538 -1.08858723 -1.07753272 -0.45627038 0.79467508 6.73744541 -1.22861426 -2.22951603 -3.54719587 -7.24908263 -6.42414648 -5.05127498 -7.81884073 -3.03360211 10.00506059 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27724-96-5 34001 170465783 A Cetraxate hydrochloride Cl.NC[C@H]1CC[C@@H](CC1)C(=O)Oc2ccc(CCC(=O)O)cc2 Tox21_112210_1 -NCGC00258662-01 196701666 tox21-ror-cho-viability-p1 set1 4 2.9340813 0.25791043 6.97735829 2.22209741 5.18830036 1.48309854 3.78048496 9.09433652 3.75018822 3.10282672 1.6218308 0.6696479 10.18684778 5.29162488 2.86274852 1.164E-9 2.602E-9 5.819E-9 1.301E-8 2.909E-8 6.506E-8 1.4549999999E-7 3.253E-7 7.274E-7 0.0000016259999999 0.0000036369999999 0.000008132 0.00001818 0.000040659999999 0.00009092 56-54-2 5953 144208308 A B Quinidine COc1cc2c(cc1)nccc2[C@H](O)[C@H]4CC3CCN4C[C@@H]3C=C Tox21_201110 -NCGC00258140-01 196701667 tox21-ror-cho-viability-p1 set1 4 2.34941359 1.57131233 0.65498552 -0.62467352 5.43916994 2.59470012 5.18740461 2.58720563 2.22277249 1.38753449 2.27714657 2.67292094 -1.02281816 2.82441611 5.34849301 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.96E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 402846-78-0 2734244 144207784 A A 1-Butyl-2,3-dimethylimidazolium tetrafluoroborate CCCCn1cc[n+](C)c1C.F[B-](F)(F)F Tox21_200586 -NCGC00015081-04 196722863 tox21-ror-cho-viability-p1 set3 4 0.0749780386 5.203909772 0.296090228 5.5 4.9549173134 0.3303623589 0.3398692517 2.84841699 0.15773885 2.60678639 0.14411676 -2.66992481 0.10905656 2.27572385 8.42762791 -1.79237298 7.53921305 2.78837945 11.98316841 11.50137516 1.53672284 4.03900544 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 75529-73-6 73334 170466525 A Amperozide hydrochloride Cl.Fc1ccc(cc1)C(CCCN2CCN(CC2)C(=O)NCC)c3ccc(F)cc3 Tox21_111208_1 -NCGC00025236-02 196723286 tox21-ror-cho-viability-p1 set3 4 33.4914596268 32.84049772 3.15950228 36 4.0449729863 0.650891627 0.0635141795 8.96132147 -1.43816067 -4.47956471 -5.2837481 9.4336102 6.79455997 7.36382148 -4.55875362 7.76235281 2.49375097 2.7756448 4.18627315 4.47844906 6.7467083 28.9478326 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 111686-79-4 60510 170466538 A Remacemide hydrochloride Cl.NCC(=O)NC(C)(Cc1ccccc1)c2ccccc2 Tox21_110956_1 -NCGC00161601-02 196723683 tox21-ror-cho-viability-p1 set3 4 5.3080386368 -13.462194904 -0.5 -13.962194904 0.9999999999 0.8999131139 0.0005992391 1.36362243 -2.11145505 -0.70016163 -0.64212987 -1.22990655 -0.50352714 -2.96455124 0.67775203 -0.36730524 -3.43093949 -4.042494 -5.26853119 -9.15938518 -11.63516242 0.18449776 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 49627-27-2 5352624 170466724 A Sulindac sulfide CSc1ccc(cc1)/C=C3\c2ccc(F)cc2C(CC(=O)O)=C3C Tox21_113636_1 -NCGC00260163-01 196724098 tox21-ror-cho-viability-p1 set3 4 0.0489036036 5.2062064239 -1.7062064239 3.5 4.9549173134 0.3892647985 0.2839495207 1.40912688 -8.50517202 2.48814447 1.40970658 -4.39068902 3.37567358 3.75685255 1.55157272 3.98157341 3.39807272 2.23119208 4.60547637 4.49757418 0.24381635 7.86315136 1.187E-9 2.6549999999E-9 5.937E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 20445-94-7 60196373 144209813 A A Ethyltributylphosphonium diethylphosphate [O-]P(=O)(OCC)OCC.CC[P+](CCCC)(CCCC)CCCC Tox21_202615 -NCGC00260672-01 196724113 tox21-ror-cho-viability-p1 set3 4 -4.98175569 -6.62401939 -6.55817102 -5.85287564 -4.21464084 -5.2927086 -4.19858446 -3.99774533 -0.99144096 -1.41793215 -0.70863594 -4.92582389 -3.02684662 -5.23630983 -2.27350358 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.3169999999E-8 2.9459999999E-8 6.587E-8 1.4729999999E-7 3.294E-7 7.365E-7 0.0000016469999999 0.0000036819999999 0.000008234 0.000018409999999 0.00004117 0.00009206 1330-78-5 6529 144208744 A A Tricresyl phosphate Cc1ccc(cc1)OP(=O)(Oc2ccc(C)cc2)Oc3ccc(C)cc3 Tox21_201546 -NCGC00260527-01 196724117 tox21-ror-cho-viability-p1 set3 4 -5.89892023 -5.15210582 -4.26924944 -4.15783077 -3.86638333 -1.88826401 -3.95741959 -2.60292087 0.33673371 3.13571843 1.02112721 2.95200943 -4.03714185 -3.07815997 -3.62216178 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.961E-8 6.622E-8 1.481E-7 3.311E-7 7.4029999999E-7 0.000001655 0.000003702 0.0000082769999999 0.00001851 0.00004138 0.00009254 29761-21-5 34697 144210179 F Isodecyl diphenyl phosphate CC(C)CCCCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2 Tox21_202981 -NCGC00163818-04 196697943 tox21-ror-cho-viability-p1 set1 -2.4 4.3277125691 -19.1637139039 -1 -20.1637139039 1.21 0.8941362327 0.0004290267 -4.23058497 -1.41171643 1.13874547 2.16237919 0.18095599 -5.28276929 2.97838316 -3.51141103 -3.02863872 -5.8504169 -6.94900912 -17.16807657 -17.47215472 -16.29922542 -20.55309492 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00249921-01 196697957 tox21-ror-cho-viability-p1 set1 4 -0.13400167 1.528039 -0.49474356 -1.78624045 -0.14128444 0.30178421 -2.42029093 -0.62395748 -3.41418932 -1.53508833 0.57006501 -1.63538255 -0.91958836 -2.33341462 0.35792565 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 74512-12-2 3033988 170465847 A A Omoconazole C\C(=C(\OCCOc1ccc(Cl)cc1)c2ccc(Cl)cc2Cl)n3ccnc3 Tox21_113697 -NCGC00183847-01 196697966 tox21-ror-cho-viability-p1 set1 4 1.2718981 1.36847395 -0.76432057 -4.19782951 -1.60125505 -3.75761629 0.9474798 -3.56549757 -1.93371629 1.12581953 2.01588948 -4.37059499 -2.49038373 0.43292744 -0.13793827 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 86-12-4 27901 144206868 A A Thenalidine CN1CCC(CC1)N(Cc2cccs2)c3ccccc3 Tox21_113317 -NCGC00091657-02 196708570 tox21-ror-cho-viability-p1 set2 4 10.5426836 2.40476408 1.5187024 0.26826911 -0.75670561 2.65080344 -3.38272166 12.78055655 1.71264433 2.5139338 1.94794815 3.0352578 11.41122672 13.3179256 2.26898482 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00091663-03 196708573 tox21-ror-cho-viability-p1 set2 4 3.4376242854 -6.972302808 0.5 -6.472302808 1.9673362061 0.7763110482 0.012866131 -0.12351064 0.09616623 -0.74298268 -0.54224546 -0.79977527 0.34432171 -0.14240324 3.91371449 0.53985678 0.22947015 -4.60739055 -4.97699424 -4.80143199 -9.56025234 -4.87225741 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00259521-01 196708575 tox21-ror-cho-viability-p1 set2 4 0.17336652 0.33583023 -0.30541212 0.60641217 3.22675904 1.58029221 1.21933964 2.54086471 3.06118967 3.29148918 0.95546133 0.82219499 5.70612217 2.56642907 0.10478617 1.158E-9 2.589E-9 5.789E-9 1.2939999999E-8 2.894E-8 6.472E-8 1.447E-7 3.2359999999E-7 7.2359999999E-7 0.000001618 0.000003618 0.0000080899999999 0.000018089999999 0.00004045 0.00009045 328-84-7 9481 144209170 AC Ac 1,2-Dichloro-4-(trifluoromethyl)benzene Clc1ccc(cc1Cl)C(F)(F)F Tox21_201972 -NCGC00259960-01 196706914 tox21-ror-cho-viability-p1 set1 4 3.02177913 -0.90939228 4.3725342 5.24711392 3.70105038 0.53613307 3.38064079 1.2519105 -0.70230793 11.97791448 0.33011081 4.00405631 0.26665166 1.77829035 -1.54931956 1.1389999999E-9 2.548E-9 5.697E-9 1.2739999999E-8 2.849E-8 6.37E-8 1.424E-7 3.185E-7 7.1209999999E-7 0.000001592 0.000003561 0.000007962 0.0000178 0.00003981 0.00008902 542-56-3 10958 144209609 D Isobutyl nitrite CC(C)CON=O Tox21_202411 -NCGC00090686-07 196706085 tox21-ror-cho-viability-p1 set1 4 0.216899429 16.8326321799 -16.8326321799 0 0.7 0.7362268146 0.0238928258 -14.50350727 -12.02893967 -23.19386015 -17.24985449 -10.10176078 -9.90147984 -9.13548773 -4.3089349 -13.47110634 0 1.3033041 -2.59806821 0.30169797 -1.60858384 -0.18665767 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00258808-01 196706102 tox21-ror-cho-viability-p1 set1 4 6.39414641 -5.41813442 6.56617928 0.15626925 -2.9805867 0.70228251 1.18802687 0.58363212 0.29392292 -2.92210863 0.18881945 1.5830009 -17.71954233 -1.65474209 -0.56729509 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003668 0.000008201 0.00001834 0.000041009999999 0.00009169 95-53-4 7242 144208454 A Fc 2-Methylaniline Cc1ccccc1N Tox21_201256 -NCGC00259863-01 196706515 tox21-ror-cho-viability-p1 set1 4 3.30158312 0.96852004 3.13210645 -1.2546121 1.81861059 2.26825434 0.50959894 3.20970541 -12.89801566 6.26153877 2.22224149 2.67409365 2.79034967 0.82762385 1.73889579 1.175E-9 2.626E-9 5.873E-9 1.3129999999E-8 2.936E-8 6.566E-8 1.468E-7 3.2829999999E-7 7.341E-7 0.000001642 0.0000036709999999 0.000008208 0.00001835 0.00004104 0.00009176 85-70-1 6819 144209512 A A Butylphthalyl butylglycolate O=C(OCCCC)COC(=O)c1ccccc1C(=O)OCCCC Tox21_202314 -NCGC00259132-01 196706920 tox21-ror-cho-viability-p1 set1 4 10.5839302863 7.723912972 -9.321319196 -1.597406224 2.4063783767 0.3469526784 0.3235264584 -12.12517463 -7.64001072 -12.63456582 -16.10109933 -4.80149881 -4.55479386 -5.68757719 -11.78475339 -2.20540165 -12.70426521 -14.79691924 -5.4302218 -3.12217396 -0.49783852 -3.11496965 1.154E-9 2.5809999999E-9 5.772E-9 1.291E-8 2.886E-8 6.454E-8 1.443E-7 3.227E-7 7.215E-7 0.0000016129999999 0.000003608 0.000008067 0.000018039999999 0.00004034 0.000090189999999 112-07-2 8160 144208781 A A 2-Butoxyethyl acetate O=C(C)OCCOCCCC Tox21_201583 -NCGC00259760-01 196706924 tox21-ror-cho-viability-p1 set1 4 -9.98338944 -5.32150722 -13.9343118 -8.27787854 4.48430441 -3.51536631 -2.27769147 -3.2700436 -4.49503215 -13.94572965 -5.5499223 -4.81519 -1.45315286 -6.04868122 -6.36327968 1.204E-9 2.6909999999E-9 6.018E-9 1.346E-8 3.009E-8 6.728E-8 1.5049999999E-7 3.3639999999E-7 7.523E-7 0.000001682 0.000003761 0.000008411 0.000018809999999 0.000042049999999 0.000094029999999 2050-92-2 16316 144209409 FC N-pentylpentan-1-amine CCCCCNCCCCC Tox21_202211 -NCGC00259363-01 196706933 tox21-ror-cho-viability-p1 set1 4 4.07162792 7.91535978 1.97087566 2.19954263 4.80215504 1.42846951 3.58652553 2.15424799 10.08604937 -2.9930398 -2.39717801 2.30378805 2.6830873 3.13219561 6.63192501 1.171E-9 2.618E-9 5.854E-9 1.3089999999E-8 2.927E-8 6.545E-8 1.463E-7 3.2719999999E-7 7.317E-7 0.0000016359999999 0.0000036589999999 0.0000081809999999 0.00001829 0.0000409 0.000091469999999 54-11-5 89594 144209012 A A Nicotine CN2CCC[C@H]2c1cnccc1 Tox21_201814 -NCGC00259403-01 196706936 tox21-ror-cho-viability-p1 set1 4 -2.18197629 -2.10856605 -0.56711605 0.87901127 -3.52311166 1.20117636 0.87927065 0.25157473 -0.43625426 0 1.28656017 -0.43218271 -0.24999503 -3.97956599 1.39311283 1.211E-9 2.707E-9 6.053E-9 1.353E-8 3.0259999999E-8 6.767E-8 1.5129999999E-7 3.3829999999E-7 7.566E-7 0.0000016919999999 0.0000037829999999 0.000008459 0.00001891 0.000042289999999 0.000094569999999 122-59-8 19188 144209052 A A Phenoxyacetic acid O=C(O)COc1ccccc1 Tox21_201854 -NCGC00257305-01 196707343 tox21-ror-cho-viability-p1 set1 4 -11.7278219 -7.08402678 -4.02174738 -8.78069716 -16.73064721 -13.23004753 -11.7534238 -13.91789011 -20.8579773 -15.26971477 -15.22956405 0.79490636 -11.71632686 -12.41836387 -12.93987427 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 32809-16-8 36242 144213945 A A Procymidone Clc1cc(cc(Cl)c1)N2C(=O)C3(C)CC3(C)C2=O Tox21_303640 -NCGC00090942-03 196707347 tox21-ror-cho-viability-p1 set1 -2.1 54.4826732819 -89.248426504 -3.9722605619 -93.2206870659 2.7202212143 0.9593279562 0.0000026877 -2.38334056 -6.73887947 4.17663057 0.01782379 -0.938601 -9.54287521 -4.40081463 -9.02805102 -8.9582802 -0.18218715 -7.62048803 -1.16037277 -7.68207619 -34.03089157 -75.54597505 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00258687-01 196730408 tox21-ror-cho-viability-p1 set3 4 2.74445788 -1.37327388 2.50759851 0.67977054 -1.38876454 3.2001771 0.20959166 0.23494037 -1.63387531 0.92960024 2.59339349 0.89035386 -2.8871693 -0.88077714 -0.42880794 1.289E-9 2.883E-9 6.4469999999E-9 1.442E-8 3.2239999999E-8 7.208E-8 1.612E-7 3.6039999999E-7 8.0589999999E-7 0.000001802 0.000004029 0.00000901 0.00002015 0.00004505 0.0001007 107-12-0 7854 144208333 FNS Propionitrile CCC#N Tox21_201135 -NCGC00258471-01 196729568 tox21-ror-cho-viability-p1 set3 4 0.352520564 -6.3959128 -1 -7.3959128 2.3331733767 0.3241766727 0.3603143318 -3.58724182 -2.91761952 2.077813 -4.06514656 1.45234452 1.05705559 -3.37865538 -3.98730988 -5.07294387 -11.75027222 -8.33032608 -16.996594 -3.21083192 1.33461497 0.91412359 1.2049999999E-9 2.694E-9 6.0249999999E-9 1.347E-8 3.012E-8 6.736E-8 1.506E-7 3.368E-7 7.5309999999E-7 0.0000016839999999 0.000003766 0.0000084199999999 0.000018829999999 0.0000421 0.000094139999999 611-23-4 11909 144208115 FC 2-Nitrosotoluene Cc1ccccc1N=O Tox21_200917 -NCGC00257626-01 196729985 tox21-ror-cho-viability-p1 set3 4 18.997465203 8.68519988 0.31480012 9 4.9549173134 0.9039211087 0.0002719458 1.53966036 -1.8209999 0.75752193 0.94380615 -0.61193241 0.80484084 0.5880427 1.0596238 1.65291766 1.38471193 -0.4726599 -1.02131965 3.81564985 9.10379493 9.1135281 1.163E-9 2.5999999999E-9 5.8139999999E-9 1.2999999999E-8 2.9069999999E-8 6.5E-8 1.453E-7 3.25E-7 7.267E-7 0.000001625 0.000003634 0.000008125 0.00001817 0.000040619999999 0.00009084 577-59-3 11346 144207270 A A 2-Nitroacetophenone O=[N+]([O-])c1ccccc1C(C)=O Tox21_200072 -NCGC00258553-01 196730407 tox21-ror-cho-viability-p1 set3 4 2.54705499 0.46013295 0.1357034 3.44006819 3.87039491 0.58093439 -1.04480867 6.18258256 3.99284967 3.56430666 2.02768484 2.87400508 5.86498393 2.10781161 -3.24024637 1.19E-9 2.661E-9 5.951E-9 1.331E-8 2.975E-8 6.653E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.000003719 0.000008317 0.0000186 0.00004158 0.00009298 96-33-3 7294 144208198 FNS Methyl acrylate C=CC(=O)OC Tox21_201000 -NCGC00258110-01 196730417 tox21-ror-cho-viability-p1 set3 4 -4.28531562 -6.26661019 0.1263778 -3.74186807 -4.56455452 -4.70666917 -1.35471531 -1.17624989 -5.90653015 -4.3663712 0.36715251 -3.6752176 0.10370365 1.53774233 0.68323962 1.11E-9 2.481E-9 5.5479999999E-9 1.2409999999E-8 2.774E-8 6.203E-8 1.387E-7 3.1019999999E-7 6.935E-7 0.0000015509999999 0.0000034679999999 0.0000077539999999 0.00001734 0.00003877 0.00008669 778-22-3 13065 144207754 A A 2,2-Diphenylpropane CC(C)(c1ccccc1)c2ccccc2 Tox21_200556 -NCGC00090701-06 196723321 tox21-ror-cho-viability-p1 set3 4 2.40966689 -2.10454595 3.94950376 -8.00597721 -0.26092679 -21.93237771 0 -4.89001962 8.81384283 4.02887669 2.68286357 2.08203765 2.91857409 1.92606631 6.53192458 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00163724-03 196723335 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -21.401571896 -1.5 -22.901571896 4.9549173134 0.3550548272 0.3147894706 -6.68015185 -1.96994798 -1.79067155 1.73893935 3.65129561 0 -19.91797658 0 3.91716399 6.99674111 1.06799548 -0.9801073 -3.57407523 -2.96903426 -18.88656682 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00253688-01 196722916 tox21-ror-cho-viability-p1 set3 4 2.91834341 0.45141448 -0.92658435 1.92121551 -0.85304825 -0.74947076 2.38528287 1.61264103 -5.70450487 -2.46336841 0.7657577 -10.05438436 -0.65404044 5.6579162 3.58654086 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1028-33-7 70569 170466365 A A Pentifylline O=C2c1n(C)cnc1N(C)C(=O)N2CCCCCC Tox21_113810 -NCGC00091250-12 196723331 tox21-ror-cho-viability-p1 set3 4 0.0595571731 7.0492427079 -7.0492427079 0 3.9899729863 0.4618504208 0.2307565463 -5.52873783 -2.40142709 -15.04103559 -5.56154487 -4.20418475 -10.89630733 0 0 1.50212563 2.06734774 3.76686386 1.47019399 -4.09065979 -5.67748435 -19.94862037 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-55-5 5770 170465405 A Reserpine COc1cc(cc(OC)c1OC)C(=O)O[C@@H]3C[C@@H]4CN5CCc2c6ccc(OC)cc6nc2[C@H]5C[C@@H]4[C@@H]([C@H]3OC)C(=O)OC Tox21_111107_1 -NCGC00260168-01 196723737 tox21-ror-cho-viability-p1 set3 4 0.2426228811 -8.9122521079 5 -3.9122521079 4.9549173134 0.5939001803 0.1158576739 -3.12746454 5.69846117 5.49275156 7.69360761 5.78560493 4.2417944 9.68891216 -4.33943777 -3.59288793 -6.43462024 0.99940209 -9.51021009 -1.36280578 -2.12834217 0.69631694 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 359845-21-9 11674455 144209818 A 1-Butyl-3-methylimidazolium tetrachloroferrate (III) CCCCn1cc[n+](C)c1.Cl[Fe-](Cl)(Cl)Cl Tox21_202620 -NCGC00260189-01 196723739 tox21-ror-cho-viability-p1 set3 4 0.539290828 -6.7643324959 3.5 -3.2643324959 4.9549173134 0.5413762329 0.1595029205 -5.05144442 2.68911216 4.0970211 5.06974487 5.06010266 2.33364562 6.0097816 6.46951498 -4.770062 -5.22027708 -3.41633571 -1.47049539 -2.03959078 -2.14038991 3.23949753 1.1699999999E-9 2.6159999999E-9 5.849E-9 1.3079999999E-8 2.925E-8 6.54E-8 1.462E-7 3.27E-7 7.3119999999E-7 0.000001635 0.000003656 0.000008175 0.00001828 0.000040869999999 0.0000914 516474-01-4 16211409 144209839 A Ac 1-Ethyl-3-methylimidazolium methyl sulfate C[n+]1ccn(CC)c1.[O-]S(=O)(=O)OC Tox21_202641 -NCGC00260653-01 196723740 tox21-ror-cho-viability-p1 set3 4 -1.92187019 -14.21721857 -3.96925989 -0.66879083 -2.59023604 1.68113065 -1.0533568 -0.01324395 -11.71194614 -0.61159696 -2.2132898 0.3258612 -2.47117365 -1.83745077 3.28733419 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49549 144210306 M M NTP Mix94 ER AR1 18-EQP Tox21_203108 -NCGC00260246-01 196723751 tox21-ror-cho-viability-p1 set3 4 -1.66768438 7.06192041 -0.38455637 -7.72451238 -1.12698328 0.95749347 0.96195589 0.06143894 -0.50910902 -0.62316466 -2.03519969 -13.70878944 -0.56645409 -0.15777318 1.09791853 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.00009229 350-48-1 12077313 144209896 A A 1-Ethylpyridinium tetrafluoroborate F[B-](F)(F)F.CC[n+]1ccccc1 Tox21_202698 -NCGC00260617-01 196723756 tox21-ror-cho-viability-p1 set3 4 0.0237101377 6.625391916 -2.625391916 4 4.9549173134 0.4017622235 0.2709506343 -6.77115993 6.17117644 -6.21876053 -2.86276559 -2.80057431 3.62229108 1.27305722 2.85075808 7.41594586 -0.44895096 3.80258427 7.63135047 0.64659327 2.71639464 9.01953082 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49513 144210270 M M NTP Mix20 AR1 8-EQC Tox21_203072 -NCGC00357252-01 196723757 tox21-ror-cho-viability-p1 set3 4 -8.07161624 -2.47634971 -5.04065134 -6.84678702 -2.96936127 -2.20341671 -1.76820453 -1.65016599 -0.11593583 -2.69651405 -1.54067372 0.53696418 1.14629995 -1.98325321 -4.2396879 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23726-91-2 91759532 251919887 F (E)-beta-Damascone CC=1CCCC(C)(C)C=1C(=C)\C=C\C Tox21_304045 -NCGC00260562-01 196724150 tox21-ror-cho-viability-p1 set3 4 0.0016785492 13.52802172 -10.02802172 3.5 2.5884283767 0.7748364425 0.0130654984 -9.1900181 -5.48588544 0.96060463 3.57936393 1.78539967 2.75249739 2.91890676 0.84304022 4.11914263 0.22311611 3.30158114 9.0237372 3.52948213 4.31134793 6.4139101 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49458 144210215 M M NTP Mix70 CT1 62-EQP Tox21_203017 -NCGC00260456-01 196724161 tox21-ror-cho-viability-p1 set3 -2.2 54.759821084 -49.5270130098 0.1243929779 -49.4026200319 3.5117481694 0.9030445785 0.0002758712 0.18680242 5.74830841 -10.54866253 6.02681262 -0.68147587 -0.87196969 -0.99728055 0.32801875 0.12977555 1.34207132 2.09098219 -1.9996536 -0.41773262 -13.43984873 -42.7292576 1.185E-9 2.6499999999E-9 5.927E-9 1.325E-8 2.9629999999E-8 6.626E-8 1.482E-7 3.3129999999E-7 7.408E-7 0.000001657 0.000003704 0.0000082829999999 0.00001852 0.000041409999999 0.000092599999999 2835-99-6 17819 144210108 Z Fns 4-Amino-m-cresol Cc1cc(O)ccc1N Tox21_202910 -NCGC00357274-01 196724167 tox21-ror-cho-viability-p1 set3 4 1.2197151236 -3.9483284559 0.5 -3.4483284559 4.9549173134 0.4354607758 0.2581761222 -4.98712402 1.25092784 1.04502246 0.35863655 2.79098502 2.32203083 0.71752388 0.51781469 1.74376158 -3.37025403 -4.87991541 -7.45694038 -0.30507892 -1.82867671 1.65958949 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 589-66-2 61135 251919821 Ac 2-Methylpropyl but-2-enoate CC(C)COC(=O)C=CC Tox21_303966 -NCGC00254848-01 196698789 tox21-ror-cho-viability-p1 set1 -2.4 19.232929515 -29.690807596 -1.5 -31.190807596 1.9673362061 0.9602668279 0.0000023676 -1.85098883 0.17606073 -5.76687111 -0.67427742 -2.50048642 -1.07688352 0.62117913 -0.45970118 -1.71152807 -4.1701534 -2.43849703 -7.0830763 -14.19747877 -28.90900633 -27.89060437 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.938E-8 6.568E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.000041049999999 0.0000918 13181-17-4 5360414 144211263 A F Bromofenoxim Brc1cc(cc(Br)c1O)\C=N\Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O Tox21_300946 -NCGC00254147-01 196698781 tox21-ror-cho-viability-p1 set1 4 0.01936747 -5.54980995 -5.22022769 -5.29953695 0 0.11635093 0.78030671 -7.27907863 -0.23263114 0.51873774 1.17745155 -1.80126497 -6.17280025 0.66298652 -10.61463504 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6846-50-0 23284 144210635 A Ac 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate O=C(OC(C(C)C)C(C)(C)COC(=O)C(C)C)C(C)C Tox21_300316 -NCGC00254793-01 196698783 tox21-ror-cho-viability-p1 set1 4 -4.68443978 -2.4270054 -1.53428112 -2.0328983 -0.09127362 -2.55761175 1.36060785 -1.86923159 -1.85248494 -1.63108272 0.54668609 1.15535538 -6.88912896 -0.79005744 -5.31676908 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 34256-82-1 1988 144211206 A A Acetochlor ClCC(=O)N(COCC)c1c(C)cccc1CC Tox21_300889 -NCGC00254971-01 196698787 tox21-ror-cho-viability-p1 set1 4 27.3060203028 14 2 16 4.9549173134 0.8761122133 0.0015632516 3.5556543 2.64631278 2.8309383 0.22785585 1.30281456 1.05739258 0.56050448 3.44395114 2.68631407 3.25668056 3.35900279 2.57245818 1.66450487 15.18991925 -0.14668906 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-52-1 8056 144211387 1,4-Dibromobutane BrCCCCBr Tox21_301070 -NCGC00255029-01 196698791 tox21-ror-cho-viability-p1 set1 -1.2 0.3437624285 -27.4441368039 1.5 -25.9441368039 1.826479391 0.9730767554 2.625E-7 1.1022292 1.50211184 1.38608305 2.36090116 -1.53080451 0.57075156 -1.46326347 -12.6536313 -19.14664776 -25.16370348 -24.58154382 -22.95442877 -25.80346983 -24.53673246 -32.03678067 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 175013-18-0 6422843 144211447 A A Pyraclostrobin O=C(OC)N(OC)c3ccccc3COc1ccn(n1)c2ccc(Cl)cc2 Tox21_301130 -NCGC00254502-01 196698793 tox21-ror-cho-viability-p1 set1 -2.2 30.6378586933 -46.6244068424 -2.605362916 -49.2297697584 0.9999999999 0.9687664869 6.112E-7 -2.18979243 -0.88065297 -4.10038679 -0.08780243 -6.60686351 -2.14623441 -2.48319966 -4.10445568 -3.41941914 -2.52589813 -11.47231121 -12.80857342 -17.92647682 -29.31386605 -39.07124584 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 249296-43-3 9935274 144210756 A A CJ-013610 O=C(N)C1(CCOCC1)c4cccc(Sc2ccc(cc2)n3ccnc3C)c4.CS(=O)(=O)O Tox21_300438 -NCGC00255069-01 196699211 tox21-ror-cho-viability-p1 set1 4 0.11853017 -3.01639919 0.3349034 -2.94636829 -3.16976061 0.70720836 2.26418732 -4.30854649 0.22207612 0.23137429 -5.09724254 -2.99702912 0.94600396 0.42471528 2.24599511 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-73-6 8072 144211488 A Ac 2-(Ethylamino)ethanol CCNCCO Tox21_301171 -NCGC00254645-01 196699609 tox21-ror-cho-viability-p1 set1 4 -0.44553215 -0.0599364 0.61929041 0.84570527 1.16085534 1.41855143 1.09908787 -0.76942661 -0.83342106 1.91447865 1.0466836 0.30213115 1.97663569 0.15114646 -1.64561902 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2675-77-6 17581 144211056 A A Chloroneb COc1cc(Cl)c(cc1Cl)OC Tox21_300739 -NCGC00183048-01 196697978 tox21-ror-cho-viability-p1 set1 4 0.004216325 -6.25038816 -0.5 -6.75038816 2.7202212143 0.3878532642 0.2853886373 -0.88989328 -1.32093093 0.18405554 -7.06342765 -7.48602015 -3.96481116 -11.16238816 -8.69297755 -3.8219424 -5.06349754 -2.82345753 -2.96204081 -9.61133342 -5.42824779 -12.7086568 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 147816-23-7 6918126 144206810 I I Cefcapene pivoxil hydrochloride Cl.Nc1scc(n1)\C(=C\CC)C(=O)N[C@@H]3C(=O)N2C(=C(COC(N)=O)CS[C@@H]23)C(=O)OCOC(=O)C(C)(C)C Tox21_113259 -NCGC00260186-01 196724141 tox21-ror-cho-viability-p1 set3 -2.1 54.0397254733 -137.0960055118 1.6431434794 -135.4528620324 2.2481167061 0.9833857657 1.62E-8 -6.20304627 -2.2967657 0.22175481 -2.04585196 3.22337049 3.26887697 6.50526933 3.35927106 4.46271827 -0.37321609 6.92709406 3.71291746 -12.65915861 -46.98683281 -102.61580457 1.172E-9 2.6199999999E-9 5.859E-9 1.31E-8 2.9299999999E-8 6.551E-8 1.465E-7 3.275E-7 7.324E-7 0.0000016379999999 0.000003662 0.0000081889999999 0.00001831 0.00004094 0.000091549999999 848641-69-0 53316406 144209836 F 1-Ethyl-3-methylimidazolium diethylphosphate C[n+]1ccn(CC)c1.[O-]P(=O)(OCC)OCC Tox21_202638 -NCGC00357213-01 196724142 tox21-ror-cho-viability-p1 set3 4 0.0043277126 11.5509158919 -8.5509158919 3 0.7999999999 0.5357602868 0.1649340672 -6.29242991 -3.10201539 0.05451865 -3.50990115 1.16888847 0.91387621 2.4696451 5.54362569 3.06230789 4.27182988 5.60148808 4.82699201 0.51844866 -3.5912229 -7.99692034 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-52-7 7145 251919982 B 1,2-dibromo(phenyl)ethane BrCC(Br)c1ccccc1 Tox21_303993 -NCGC00259299-01 196709431 tox21-ror-cho-viability-p1 set2 4 4.34953884 2.89293023 3.677263 7.54424375 1.84593223 -0.57502412 3.4192196 0.67378001 2.38478018 2.67248081 2.14937655 3.53735823 8.1885787 5.65249691 1.54270336 1.213E-9 2.713E-9 6.0659999999E-9 1.3559999999E-8 3.033E-8 6.782E-8 1.516E-7 3.391E-7 7.582E-7 0.000001695 0.0000037909999999 0.000008477 0.00001896 0.00004239 0.00009478 98-95-3 7416 144208948 A Ac Nitrobenzene [O-][N+](=O)c1ccccc1 Tox21_201750 -NCGC00259199-01 196709420 tox21-ror-cho-viability-p1 set2 4 0.79518562 -3.62877419 -1.04841717 -7.07179641 -0.7904819 -0.78118489 -0.54849686 -3.59125833 -1.02186808 -0.2009611 0.15661801 -5.15185045 -3.31593132 1.26923826 1.85781769 1.198E-9 2.68E-9 5.992E-9 1.34E-8 2.996E-8 6.6989999999E-8 1.4979999999E-7 3.35E-7 7.4899999999E-7 0.000001675 0.000003745 0.000008374 0.000018719999999 0.00004187 0.00009362 462-08-8 10009 144208848 B Fns 3-Pyridinamine Nc1cccnc1 Tox21_201650 -NCGC00259890-01 196709421 tox21-ror-cho-viability-p1 set2 4 -0.25831019 2.34254586 6.3426526 0.26901276 -0.05770074 -0.25439218 3.75516922 3.753906 1.89723048 -1.14337141 2.5053558 2.96194104 -1.15065452 -0.06528087 -1.59035086 1.1859999999E-9 2.653E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001854 0.00004145 0.00009268 99-30-9 7430 144209539 A A Dicloran Clc1cc(cc(Cl)c1N)[N+]([O-])=O Tox21_202341 -NCGC00259550-01 196709424 tox21-ror-cho-viability-p1 set2 4 1.88575527 2.11269159 2.20497539 -0.34334931 2.33763998 1.26971312 0.04140264 -1.51760377 2.02419556 -1.12681947 2.12006045 0.29907947 3.29416465 3.53061327 1.0366792 1.212E-9 2.71E-9 6.061E-9 1.3549999999E-8 3.03E-8 6.7759999999E-8 1.515E-7 3.388E-7 7.576E-7 0.0000016939999999 0.0000037879999999 0.00000847 0.00001894 0.00004235 0.0000947 104-46-1 7703 144209199 A Anethole COc1ccc(C=CC)cc1 Tox21_202001 -NCGC00256309-01 196709824 tox21-ror-cho-viability-p1 set2 4 3.27371099 1.39990582 5.31622871 1.50663779 1.60196142 -0.90013008 1.12592537 1.67608156 0.02908669 1.20681895 -0.01954559 2.66740105 1.92462049 0.18084307 2.17996482 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5536-61-8 3255932 144211953 A Sodium methacrylate [Na+].C=C(C)C([O-])=O Tox21_301636 -NCGC00255243-01 196709833 tox21-ror-cho-viability-p1 set2 4 -1.51842016 -0.30147005 -2.57866779 0.30100351 1.24218922 -1.29810199 -1.7627375 -1.74222353 -0.82891252 1.76038143 -2.5704775 -2.20444618 0.15085407 -2.31242146 -2.23879695 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 39515-40-7 38283 144212236 A B Cyphenothrin C/C(C)=C/C3C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C Tox21_301919 -NCGC00255389-01 196710241 tox21-ror-cho-viability-p1 set2 4 -3.25166289 -2.70924738 -0.42745038 -0.51320064 -1.89439502 -1.7010976 0.13391872 -1.15460385 -0.02372452 -2.99273 -0.36590653 0.05106762 2.22001679 -0.382122 -2.55366791 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 366-70-1 9703 144212635 B D Procarbazine hydrochloride Cl.CC(C)NC(=O)c1ccc(CNNC)cc1 Tox21_302318 -NCGC00259783-01 196705709 tox21-ror-cho-viability-p1 set1 4 0.0497452691 10.9301792399 -11.4301792399 -0.5 4.9549173134 0.9486810248 0.0000098057 -11.83218279 -10.86978605 -9.88325381 -14.1084827 -10.300652 -2.66877422 1.49645004 -1.69007042 -1.45235684 -1.61488758 0.11213739 0.31411002 0.33351464 -1.12945565 0.69591363 1.204E-9 2.692E-9 6.019E-9 1.346E-8 3.009E-8 6.729E-8 1.5049999999E-7 3.365E-7 7.5239999999E-7 0.000001682 0.0000037619999999 0.000008412 0.000018809999999 0.00004206 0.00009405 556-82-1 11173 144209432 B A 3-Methyl-2-buten-1-ol C/C(C)=C\CO Tox21_202234 -NCGC00015089-17 196704879 tox21-ror-cho-viability-p1 set1 4 -1.36785987 -3.05115989 0.67497729 -0.53740625 -0.61071677 0.96145467 0.47226296 -1.61793443 -3.09408485 -2.28831411 0.57031202 -2.04269721 -0.07055614 0.98875243 -1.25433214 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2609-46-3 16231 170465124 A Amiloride hydrochloride Clc1nc(C(=O)NC(=N)N)c(N)nc1N Tox21_110080_1 -NCGC00179599-03 196705284 tox21-ror-cho-viability-p1 set1 4 0.40592332 -2.27639041 0.59732981 0.12427269 -1.94519095 -6.46691696 0.27502788 -1.62211108 1.48393531 4.22443316 -3.65825828 -4.47335038 1.44178953 -1.79805791 3.00638779 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62893-20-3 23663974 170465235 A Cefoperazone sodium [Na+].O=C1C(=O)N(CC)CCN1C(=O)N[C@H](c2ccc(O)cc2)C(=O)N[C@@H]5C(=O)N4C(=C(CSc3nnnn3C)CS[C@@H]45)C([O-])=O Tox21_111367_1 -NCGC00094857-05 196705289 tox21-ror-cho-viability-p1 set1 -3 33.4914596268 -82.1269820093 2.6423536385 -79.4846283708 4.9549173134 0.9734879775 2.401E-7 -1.64866973 1.68317781 -1.72510178 4.25201777 3.717775 -0.05743545 1.72590494 2.88225354 -0.14204718 4.20942053 7.42956901 6.62616341 3.60817693 -0.61080316 -69.72335822 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52417-22-8 2723598 170465046 A 9-Aminoacridine, monohydrochloride, monohydrate Cl.O.Nc1c3ccccc3nc2ccccc12 Tox21_111187_1 -NCGC00259498-01 196705715 tox21-ror-cho-viability-p1 set1 4 4.08451745 2.28593338 1.10743259 -10.10006492 -0.85438911 -5.12462836 -1.54036761 -4.18331387 2.78798309 -3.81588328 3.36456121 2.61987141 -4.93350467 -3.93795634 6.16312478 1.182E-9 2.6429999999E-9 5.91E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.304E-7 7.387E-7 0.0000016519999999 0.000003693 0.000008259 0.000018469999999 0.00004129 0.00009234 934-32-7 13624 144209147 A A 2-Aminobenzimidazole Nc1nc2ccccc2n1 Tox21_201949 -NCGC00259466-01 196706121 tox21-ror-cho-viability-p1 set1 4 -6.53503309 3.05991509 1.95777418 -7.73362279 2.54085428 2.94901303 0.00751563 -7.2195559 -1.08427458 -11.06925415 -12.96051887 -0.86055839 -0.2133193 0.33385297 -19.160764 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.311E-7 7.405E-7 0.000001656 0.000003702 0.000008279 0.00001851 0.00004139 0.00009256 25377-73-5 32933 144209115 A A 3-(Dodecenyl)dihydro-2,5-furandione O=C1OC(=O)CC1C=CCCCCCCCCCC Tox21_201917 -NCGC00256712-01 196718832 tox21-ror-cho-viability-p1 set2 4 -12.44507003 -8.40752353 -12.34548836 -8.4344208 -14.87983163 -14.36152189 -8.16898115 -9.78896274 -8.71960257 -7.91811448 -10.10565285 -8.47123393 -12.29732045 -9.13085327 -17.81199534 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17283-81-7 519382 144212983 A Ac Dihydro-beta-ionone CC=1CCCC(C)(C)C=1CCC(C)=O Tox21_302666 -NCGC00254303-01 196719668 tox21-ror-cho-viability-p1 set3 4 0.0038570779 16.1779445639 -14.6779445639 1.5 0.4 0.4653920828 0.2278142919 -7.39190911 -12.23162047 -1.10227943 -0.48108564 -8.37836036 -5.47657888 2.63896693 -0.6941584 1.08412969 -5.16274515 2.61427415 0.68306451 1.78611082 1.31716769 -7.60124611 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-73-7 6853 144210889 A Ac Fluorene c1cccc2Cc3ccccc3c12 Tox21_300572 -NCGC00015675-08 196718845 tox21-ror-cho-viability-p1 set2 4 0.54433348 0.38297558 1.09880403 0.52007166 2.86642849 0.34700765 2.26694958 7.50798685 2.17753675 -0.042401 6.06456911 6.45960835 1.77589423 1.69803153 3.61426886 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00164168-02 196718829 tox21-ror-cho-viability-p1 set2 4 3.5581873 3.70116558 -2.32770352 -0.20881593 4.91921361 4.14675343 0.19564586 7.86564726 2.21114197 5.03257073 3.40731194 0.64435415 -0.2495797 -1.78321773 2.49999457 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.000096319999999 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00257366-01 196718843 tox21-ror-cho-viability-p1 set2 4 2.05532331 0.30206441 -1.6622562 3.4740533 -1.52018688 1.38548617 -1.9817079 -1.27138723 4.56778195 2.49739349 -0.47145039 2.48430388 5.9921509 7.7464187 0.83864044 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-08-6 66743 144213786 A F Ethyl 4-methylbenzoate O=C(OCC)c1ccc(C)cc1 Tox21_303476 -NCGC00091380-04 196719271 tox21-ror-cho-viability-p1 set2 4 61.130564862 12.729374428 -3.229374428 9.5 3.2974983358 0.3515731163 0.3197131938 -0.46764124 1.12944058 0.97252785 0.45306116 -8.11292778 -3.7063726 -5.50314853 -9.77447869 -5.66557838 -6.95652617 -0.81432114 -0.69315449 0.10589525 -0.76071746 6.78350214 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00257116-01 196719285 tox21-ror-cho-viability-p1 set2 4 0.61128294 -0.0475223 0.55015168 1.61940081 0.18785803 3.93892925 0.75424764 2.96417864 1.5796855 0.24197235 0.0072941 7.28127479 0.49966223 0.34549497 1.18518224 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2778-42-9 17719 144213606 F F 1,3-Bis(2-isocyanatopropan-2-yl)benzene CC(C)(\N=C=O)c1cccc(c1)C(C)(C)/N=C=O Tox21_303289 -NCGC00254371-01 196719679 tox21-ror-cho-viability-p1 set3 4 30.6378586933 9.8177724399 -1.8177724399 8 1.1340999999 0.4902745105 0.1893474236 -2.48359967 -0.99395035 -4.04877245 3.87441028 -1.36470777 -2.40784693 -2.82403274 -4.8481437 -2.76985614 2.89729273 -3.63936574 1.74652291 0.6835369 4.00139891 5.84292076 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 207736-05-8 54687772 144210747 A A CI-1029 CC(C)[C@]3(CCc1ccc(N)cc1)CC(O)=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O3 Tox21_300429 -NCGC00253956-01 196719689 tox21-ror-cho-viability-p1 set3 4 -5.79352398 -10.93975672 2.72884321 4.4077416 -2.08908248 -0.07897627 -9.2110458 0.52121605 4.06041033 1.46579849 2.42819078 -0.26646127 0.36448542 -7.19788713 -5.52171866 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-80-4 7579 144210453 A A 4,4'-Oxydianiline Nc1ccc(cc1)Oc2ccc(N)cc2 Tox21_300133 -NCGC00091499-05 196719703 tox21-ror-cho-viability-p1 set3 4 0.0343762429 6.7160198759 -7.7160198759 -1 1.4787409999 0.7602941519 0.0169453209 -5.77998393 -10.59668323 -6.76923483 -5.09061676 -5.33147069 -2.8036833 -2.98162625 0.62621556 1.00623904 0.76306917 -1.70208057 -2.5707789 -2.9627843 -1.1654636 -0.74173547 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00254438-01 196720103 tox21-ror-cho-viability-p1 set3 4 2.62115847 -1.1708879 19.72282677 -0.14924782 2.75129598 -0.72877559 2.34390978 0.59549805 1.89240675 8.58384593 0.3889176 7.48370233 4.57928116 2.5009894 5.95003119 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 261947-38-0 10145345 144210761 A A CP-532623 FC(F)(F)c1cc(cc(c1)C(F)(F)F)CN([C@H]3C[C@@H](CC)N(c2ccc(cc23)C(F)(F)F)C(=O)OC(C)C)C(C)=O Tox21_300443 -NCGC00164449-04 196720106 tox21-ror-cho-viability-p1 set3 4 0.0034376243 13.7904614519 -15.2904614519 -1.5 1.0999999999 0.6374644895 0.0723670106 -10.52513775 -12.74205121 -3.95120482 -1.92611663 -5.3752682 -5.60689537 0.7949496 1.07264629 -3.90753003 -4.18071583 0.40510395 0.78243001 0.77968367 -2.78655413 -2.36519762 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00256690-01 196727514 tox21-ror-cho-viability-p1 set3 4 -0.45260704 -0.36345433 0 -11.40042751 0 -1.74858091 -17.74255677 0 -2.96973955 0 -4.788614 -1.24148508 -2.59969546 -2.43077956 -6.49847748 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 644-08-6 12566 144212927 A Ac 4-Phenyltoluene Cc1ccc(cc1)c2ccccc2 Tox21_302610 -NCGC00257056-01 196727521 tox21-ror-cho-viability-p1 set3 4 0.0685896219 5.2784793199 -0.7784793199 4.5 1.78848746 0.3984867889 0.2752366998 -0.16470619 -1.4820661 -0.2633429 -0.34556869 -0.72997367 3.97668474 0.03700628 6.2205197 7.39804826 6.82536849 10.0545777 0.31135818 0.72346258 0.36074223 6.70008994 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 2231-57-4 2724189 144213590 F Bc Thiocarbazide NNC(=S)NN Tox21_303273 -NCGC00256940-01 196727091 tox21-ror-cho-viability-p1 set3 -3 27.3060203028 -43.6160704843 0.0664792099 -43.5495912744 4.9549173134 0.9715395595 0.0000011451 -0.37587239 0.83939312 0.85945678 1.63953018 -0.63337965 0.4972126 -1.52009154 -3.12211556 0.55578521 -1.09595247 -0.18956808 -1.57001326 -2.34297544 -42.69567772 -1.12530283 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-08-8 8326 144213529 Tetrachlorophthalic anhydride O=C1OC(=O)c2c1c(Cl)c(Cl)c(Cl)c2Cl Tox21_303212 -NCGC00163815-04 196727102 tox21-ror-cho-viability-p1 set3 -2.1 58.1036241395 -79.4423211961 -0.784848961 -80.2271701571 1.92824246 0.9172500463 0.0001229705 -0.88814314 0.2710562 -1.06489127 1.57005686 0.35781218 0.73273404 1.91313958 1.42918984 2.0703304 -0.3448398 -17.03293756 0.4270947 -13.30309527 -25.16307554 -60.77815921 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.00009723 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00257431-01 196727526 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -31.3803078119 3.5 -27.8803078119 4.9549173134 0.9041823534 0.0002616919 4.00773343 5.04998387 3.29724591 4.14018921 0.99860263 4.83463904 5.87508529 3.28626212 2.93983319 5.45231546 0.07180518 3.32843723 -0.81379191 2.78716419 -19.90025651 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-99-7 8348 144213750 A A 2-Hydroxybenzophenone O=C(c1ccccc1O)c2ccccc2 Tox21_303440 -NCGC00257309-01 196727530 tox21-ror-cho-viability-p1 set3 4 0.1368542878 8.8112216599 -9.3112216599 -0.5 3.9294729863 0.4564771302 0.2182666604 -2.14479896 0.18216124 -21.92601805 -10.0548405 -10.53150618 -12.49721264 -2.97189953 -0.65289264 0 0 0 -3.3556671 1.51038098 -1.66533945 0.90027535 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7398-69-8 33286 144213672 A Dimethyldiallylammonium chloride [Cl-].C=CC[N+](C)(C)CC=C Tox21_303355 -NCGC00255762-01 196727925 tox21-ror-cho-viability-p1 set3 4 -5.05285439 -2.57562339 7.57346807 6.10383999 7.826931 -8.10058223 -9.20851892 6.74868819 -9.53516991 8.31333515 -7.97694254 -9.06564373 -8.9936399 -5.62704897 -3.5728437 8.075E-10 1.806E-9 4.0379999999E-9 9.028E-9 2.0189999999E-8 4.514E-8 1.009E-7 2.257E-7 5.047E-7 0.000001129 0.000002524 0.0000056429999999 0.00001262 0.00002821 0.00006309 145701-23-1 11700495 144212750 A A Florasulam Fc3cccc(F)c3NS(=O)(=O)c1nc2c(F)cnc(OC)n2n1 Tox21_302433 -NCGC00255193-01 196727929 tox21-ror-cho-viability-p1 set3 4 -3.38440819 -2.30547456 -3.22547918 -1.4524486 0.03748671 3.79338267 4.54964454 2.85151822 1.99443983 2.12549956 5.62147242 -0.46350323 0.49200676 -0.40992209 -3.36219127 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-27-1 5756 144211921 A A Estriol Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)[C@H](O)C[C@@H]12)c4cc3 Tox21_301604 -NCGC00256010-01 196727932 tox21-ror-cho-viability-p1 set3 -2.1 16.5402536953 -95.025804986 24.8548786 -70.170926386 1.111 0.9487092216 0.0000096551 9.79337799 22.12456231 23.24229897 26.66637823 27.11810217 31.85469849 31.91422072 25.96694949 31.68400036 12.38002419 13.39507259 0.57816106 -13.86911559 -39.59158442 -54.86017228 8.553E-10 1.913E-9 4.276E-9 9.563E-9 2.138E-8 4.7809999999E-8 1.0689999999E-7 2.391E-7 5.3459999999E-7 0.000001195 0.000002673 0.000005977 0.000013359999999 0.00002988 0.000066819999999 62625-32-5 6024631 144211753 F Bromocresol green sodium salt [Na+].CC=1C(\C=C(Br)C(=O)C=1Br)=C(/c2cc(Br)c(O)c(Br)c2C)c3ccccc3S([O-])(=O)=O Tox21_301436 -NCGC00255939-01 196728348 tox21-ror-cho-viability-p1 set3 -2.4 61.130564862 -33.9981969919 2 -31.9981969919 4.9549173134 0.8276934093 0.0041991686 3.57985933 -0.57808086 2.55374767 7.44255774 -3.00974953 -2.60428032 1.92039445 -2.20000054 1.36326275 8.46954874 3.49747915 -0.90522968 6.11756982 -2.40560342 -27.91516416 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 61213-25-0 91677 144212576 A A Flurochloridone FC(F)(F)c1cccc(c1)N2CC(CCl)C(Cl)C2=O Tox21_302259 -NCGC00255689-01 196728352 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -128.041221128 2.822972738 -125.21824839 4.9549173134 0.9331478533 0.0000402289 0.4427657 10.11246585 8.31094167 -3.96638413 3.54544632 5.19856316 -1.11321408 -8.55067508 -3.7150706 -2.46404907 -4.88521664 7.77505197 9.78498304 8.34411239 -102.80644367 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3236-71-3 76716 144211901 A A 4,4'-(9H-Fluorene-9,9-diyl)diphenol Oc1ccc(cc1)C4(c2ccccc2c3ccccc34)c5ccc(O)cc5 Tox21_301584 -NCGC00257554-01 196699217 tox21-ror-cho-viability-p1 set1 4 1.43023547 -1.53439998 -2.85174677 0.92328391 0.05078815 -0.98731751 -2.71226789 1.85854916 0.97094754 -2.51325414 -1.23060425 -0.18910989 -3.08645646 -3.51658143 -7.69474561 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3775-55-1 77406 144210964 A A 2-Amino-5-(5-nitro-2-furyl)-1,3,4-oxadiazole Nc1nnc(o1)c2oc(cc2)[N+]([O-])=O Tox21_300647 -NCGC00255085-01 196698811 tox21-ror-cho-viability-p1 set1 4 -0.66701385 -4.11601769 -1.75688571 1.38228018 -3.24819451 -3.51986088 -1.30463233 1.292283 0.99813585 -3.21451262 -0.22272728 -3.46541289 0.02124491 3.57793458 3.79484304 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 115-84-4 61038 144211504 A A 2-Butyl-2-ethyl-1,3-propanediol CCCCC(CO)(CO)CC Tox21_301187 -NCGC00257517-01 196698822 tox21-ror-cho-viability-p1 set1 4 -7.58094781 4.04646105 -2.78536056 -4.12995256 -5.32290723 -2.40448038 -0.13202273 -3.63243489 -1.45537859 -2.66848462 -0.25035669 0.32340785 -3.24832841 -0.86429197 4.04707183 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14901-07-6 26955 144211026 D 4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one CC=1CCCC(C)(C)C=1C=CC(C)=O Tox21_300709 -NCGC00090721-03 196699229 tox21-ror-cho-viability-p1 set1 4 2.75375211 -1.28721233 -0.19246821 1.68195398 -0.20648444 2.53363962 -0.82029023 2.91220037 -0.08305055 1.9221896 1.16290353 2.78578104 1.82580712 -1.15555728 2.46275837 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00255084-01 196699231 tox21-ror-cho-viability-p1 set1 4 30.6378586933 9.8907317319 -1.8907317319 8 0.6999999999 0.4352548923 0.2407557191 1.83522128 -3.91411908 2.0676481 -3.370188 -7.40894311 -3.03332276 1.73988612 -1.40985243 -2.00294334 1.76399051 -0.04801434 -0.08613608 1.64909904 3.38737956 5.75532699 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-66-4 7881 144211503 A A Phosphoric acid, dibutyl ester CCCCOP(O)(=O)OCCCC Tox21_301186 -NCGC00254986-01 196699236 tox21-ror-cho-viability-p1 set1 4 1.20949032 1.33398871 -1.49739034 2.82688198 -0.29825106 -1.50303127 -0.2600396 -1.40942705 1.01866389 -1.9970224 0.83650277 0.66942655 3.23491591 1.97020346 -0.64473745 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69806-50-4 50897 144211402 A A Fluazifop-butyl O=C(OCCCC)C(C)Oc1ccc(cc1)Oc2ccc(cn2)C(F)(F)F Tox21_301085 -NCGC00255080-01 196699238 tox21-ror-cho-viability-p1 set1 4 2.27230291 -1.86417651 -0.19170371 -0.26153606 -1.38687728 -5.73786822 -0.37825628 4.58385446 3.89337882 -1.03528279 -2.23304189 -4.55808015 2.14129406 2.19444488 5.29725606 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 11070-44-3 3033842 144211499 FNS Isomethyltetrahydrophthalic anhydride O=C1OC(=O)C2(C)CCCC=C12 Tox21_301182 -NCGC00254112-01 196699633 tox21-ror-cho-viability-p1 set1 4 2.02900938 1.23366436 -1.56045996 0.70452649 -2.47403402 -2.01687428 -1.73960575 -0.49311014 -0.45744437 -0.67120559 1.10078901 8.11071406 1.05640664 -0.61648522 1.80724085 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.00001889 0.00004225 0.00009447 65-85-0 243 144210500 A A Benzoic acid O=C(O)c1ccccc1 Tox21_300180 -NCGC00254370-01 196699639 tox21-ror-cho-viability-p1 set1 4 -2.13582845 2.33571816 -0.27116121 -6.75094703 1.58021605 0.27287984 -1.40782108 -2.26291916 0.21153154 -0.5472554 -1.26164886 2.05974921 2.28038667 -1.89307163 5.8308721 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-86-2 7410 144210661 A Ac Acetophenone CC(=O)c1ccccc1 Tox21_300343 -NCGC00254410-01 196699648 tox21-ror-cho-viability-p1 set1 4 -0.20724521 0.17883791 0.28045559 -1.33147631 -0.82857174 2.58050999 0.79599663 -0.42051895 -0.92790074 1.87470571 -0.04449154 0.02649189 6.09132704 -1.34052147 2.59912676 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80844-07-1 71245 144210696 A A Etofenprox CCOc1ccc(cc1)C(C)(C)COCc3cc(Oc2ccccc2)ccc3 Tox21_300378 -NCGC00254158-01 196699652 tox21-ror-cho-viability-p1 set1 4 1.46253722 0.73047592 1.18270883 1.56577912 2.48304308 -0.51020797 1.70667238 0.44877846 1.30383578 1.99678136 2.30695499 1.0209953 2.66131747 1.81284901 3.8022381 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-59-2 7447 144210442 A A 2-Methoxy-5-nitroaniline Nc1cc(ccc1OC)[N+]([O-])=O Tox21_300122 -NCGC00254768-01 196699657 tox21-ror-cho-viability-p1 set1 4 -0.35023635 -0.29083359 0.75550343 1.36499435 0.6970482 1.84526372 0.23311186 1.80216809 -1.23748409 -0.12321653 -0.4181459 0.87417145 1.3457708 -0.43611984 4.10067371 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135158-54-2 86412 144211181 A A Acibenzolar-S-methyl O=C(SC)c1cccc2nnsc12 Tox21_300864 -NCGC00091086-02 196723733 tox21-ror-cho-viability-p1 set3 4 38.5707788719 18.2581008679 -4.2581008679 14 0.6999999999 0.6813442964 0.0472657929 -6.91072837 -2.81048073 -2.93723291 -8.54841739 -2.71262912 -4.39793895 -3.7928308 1.69309197 -2.24685256 -3.742848 -1.85617847 1.93600538 1.84842988 0.83996717 11.57544975 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00257473-01 196707365 tox21-ror-cho-viability-p1 set1 4 4.53638619 3.47341218 1.44048883 -2.90928068 0.71799316 0.27278414 6.23028178 0.71816985 3.32826262 0.49303632 -0.04687406 6.43040777 3.28102332 3.292541 4.15502033 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 32388-55-9 16220111 144213790 A F 1-Cedr-8-en-9-ylethanone CC(=O)C=1C[C@]23C[C@@H](C=1C)C(C)(C)[C@@H]3CC[C@H]2C Tox21_303481 -NCGC00163724-03 196706941 tox21-ror-cho-viability-p1 set1 4 -4.98929921 -2.60247218 -4.69579131 -5.81114522 -5.17266088 -6.94633315 -2.38622759 -7.26508656 -1.79535731 -8.74309355 -12.47195614 -0.67668275 -1.68257685 -12.05110037 -14.97170094 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00259428-01 196706947 tox21-ror-cho-viability-p1 set1 4 -5.88645889 -5.81345389 -2.28080264 -11.64823004 0.57554273 -3.54980686 0.05875411 6.25999165 -6.29401062 -2.16821567 -2.14942021 1.11297453 0.82570836 -7.49889469 -8.21265957 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.00009229 5026-74-4 62558 144209077 A B 4-(Diglycidylamino)phenyl glycidyl ether c2cc(OCC1CO1)ccc2N(CC3CO3)CC4CO4 Tox21_201879 -NCGC00257379-01 196707363 tox21-ror-cho-viability-p1 set1 4 4.90981973 -0.20839535 -0.01818684 -0.24674061 0.08665404 6.17897578 0.54264569 3.95239553 5.05403221 -0.12319236 -1.0017659 -0.24447802 4.71172551 2.24679983 9.8467673 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-56-8 6654 144213697 Fns alpha-Pinene CC2(C)C1CC=C(C)C2C1 Tox21_303385 -NCGC00256714-01 196707371 tox21-ror-cho-viability-p1 set1 4 -11.02628345 -9.51354249 -7.83603656 -6.32659963 -4.85013159 -17.14041846 -7.93663646 -9.20183154 -18.34479124 -15.00300073 -9.98221584 -1.37491937 -9.63352157 -5.03987588 -4.84150288 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 24772-51-8 60196434 144213010 F Aluminum butan-2-olate (2Z)-4-ethoxy-4-oxobut-2-en-2-olate (1:2:1) O=C(/C=C(/C)O[Al](OC(C)CC)OC(C)CC)OCC Tox21_302693 -NCGC00256814-01 196707770 tox21-ror-cho-viability-p1 set1 -2.1 54.4826732819 -78.5521477952 3.496113988 -75.0560338072 2.8472712143 0.9709110934 4.074E-7 7.37256702 0.1933908 1.16862444 2.64366338 0.17124029 1.64179158 9.42920978 7.24318188 7.15949245 0.04122542 1.70138954 2.77754199 -0.15938176 -20.90070639 -60.64851046 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-69-0 31224 144212802 A A 3-Phenyl-2-propen-1-yl 3-phenylacrylate O=C(C=Cc1ccccc1)OCC=Cc2ccccc2 Tox21_302485 -NCGC00257271-01 196707784 tox21-ror-cho-viability-p1 set1 -2.4 38.5707788719 -53.6966413973 -2.2509205675 -55.9475619648 0.3 0.6434847064 0.0678524844 -1.00195141 -7.30645626 -7.44425101 -13.01208934 -18.29834267 -13.8065423 2.63389471 -17.38089385 -14.3193576 -19.32224554 -17.91229593 -20.26728352 -17.55310752 -28.20373867 -42.38451664 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 6088-51-3 22463 144213671 A A 6-Hydroxy-2-naphthyl disulfide Oc1ccc2cc(ccc2c1)SSc3ccc4cc(O)ccc4c3 Tox21_303354 -NCGC00091163-03 196708196 tox21-ror-cho-viability-p1 set1 4 -1.92506652 -3.83478314 -3.15048089 -0.54652139 -3.86306956 -5.63229329 -3.2335918 0.04274893 -2.96444499 -2.62496758 -3.51413758 -1.67943819 0.41518982 -3.68490173 0.23832224 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00256680-01 196708197 tox21-ror-cho-viability-p1 set1 4 -13.90505018 -17.90338993 -18.78482893 -15.68698526 -20.21167359 -18.33618273 -2.78197176 -18.64938808 -18.75742045 -21.92805526 -12.91917861 -28.05907247 -13.88605684 -8.98038071 -10.70157901 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21722-83-8 30771 144212769 A Ac 2-Cyclohexylethyl acetate CC(=O)OCCC1CCCCC1 Tox21_302452 -NCGC00259670-01 196708602 tox21-ror-cho-viability-p1 set2 4 -1.28282109 -2.0467857 -1.45067515 -3.35409122 -2.34475895 -2.21942109 -4.28026514 0.52270839 -0.25332081 -0.53639285 -0.02521606 -2.83807602 -2.25935828 1.31061798 4.29789948 1.229E-9 2.749E-9 6.1469999999E-9 1.3749999999E-8 3.0739999999E-8 6.873E-8 1.537E-7 3.436E-7 7.6839999999E-7 0.000001718 0.000003842 0.000008591 0.00001921 0.00004296 0.000096049999999 108-94-1 7967 144209319 AC Ac Cyclohexanone O=C1CCCCC1 Tox21_202121 -NCGC00259924-01 196708609 tox21-ror-cho-viability-p1 set2 4 4.47987947 -0.20470219 0.03209457 0.02630685 2.10733794 1.27087738 1.36073534 3.04135488 3.78087249 0.69026442 2.8717844 2.27198387 6.64575893 6.36282466 4.99953855 1.193E-9 2.667E-9 5.964E-9 1.3339999999E-8 2.982E-8 6.668E-8 1.491E-7 3.3339999999E-7 7.455E-7 0.0000016669999999 0.000003728 0.000008335 0.00001864 0.00004168 0.00009319 58-55-9 2153 144209573 A A Theophylline O=C2c1ncnc1N(C)C(=O)N2C Tox21_202375 -NCGC00258849-01 196706138 tox21-ror-cho-viability-p1 set1 -2.2 34.096761681 -39.6799500173 -4.810708098 -44.4906581153 1.9673362061 0.7502369703 0.0193779526 -12.25050715 -4.98510489 -8.39323109 -12.97750284 -1.32818005 -5.36498524 -10.90247423 -11.0606379 -6.37216445 -11.29507379 4.48878871 -6.30668322 -18.68889895 -23.00604794 -43.61829227 1.172E-9 2.6199999999E-9 5.859E-9 1.31E-8 2.929E-8 6.55E-8 1.465E-7 3.275E-7 7.324E-7 0.0000016379999999 0.000003662 0.000008188 0.00001831 0.00004094 0.00009154 599-64-4 11742 144208495 A A 4-Cumylphenol CC(C)(c1ccc(O)cc1)c2ccccc2 Tox21_201297 -NCGC00258925-01 196705740 tox21-ror-cho-viability-p1 set1 4 77.6637265632 -14.87238888 2.5 -12.37238888 4.9549173134 0.5086306574 0.1720165421 9.37042218 -1.22419092 3.01890961 5.09734519 1.39588154 0.13314536 -0.72054914 -1.32102875 4.25009993 4.65460281 2.62034179 1.26659707 2.84618489 2.84630639 -8.6436574 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.971E-8 6.6439999999E-8 1.486E-7 3.3219999999E-7 7.429E-7 0.0000016609999999 0.000003714 0.000008305 0.00001857 0.00004153 0.00009286 501-36-0 445154 144208572 A A Resveratrol Oc2cc(/C=C/c1ccc(O)cc1)cc(O)c2 Tox21_201374 -NCGC00259493-01 196720926 tox21-ror-cho-viability-p1 set3 4 -10.3367116 -8.20233464 -2.289095 3.63711582 -0.90969325 -3.27842224 -1.54886453 -12.26067644 -9.52803785 2.49209088 0.86838254 -4.44412802 -0.7718924 -0.10366255 1.37159273 1.152E-9 2.575E-9 5.759E-9 1.288E-8 2.879E-8 6.438E-8 1.44E-7 3.219E-7 7.198E-7 0.00000161 0.000003599 0.000008048 0.000018 0.00004024 0.00008998 65-45-2 5147 144209142 A A Salicylamide O=C(N)c1ccccc1O Tox21_201944 -NCGC00253985-01 196720521 tox21-ror-cho-viability-p1 set3 4 30.6378586933 -15.029216248 -2 -17.029216248 4.0949729863 0.7739813923 0.0132199513 -5.47541266 -6.47508082 -0.33276656 1.29597278 -3.01186029 1.11115201 -3.26982938 -4.15245443 -5.59979397 -1.90078425 -1.50077283 0.07598916 -4.13064635 -13.42862504 -16.69101354 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-57-5 8697 144210428 A A 2-Ethylhexanoic acid CCCCC(CC)C(=O)O Tox21_300108 -NCGC00254758-01 196720522 tox21-ror-cho-viability-p1 set3 -2.1 43.2771256911 -109.5308842858 5.036687907 -104.4941963788 2.3331733767 0.9778877436 8.47E-8 7.66950046 4.77634165 10.02049803 -1.39284133 -0.35570126 5.33618368 3.98950135 3.97916703 1.15085654 4.82443041 11.3081641 0.85088749 -1.11866161 -49.00568084 -87.95807776 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59669-26-0 9601227 144211172 A A Thiodicarb CN(SN(C)C(=O)O\N=C(/C)SC)C(=O)O\N=C(/C)SC Tox21_300855 -NCGC00255101-01 196720527 tox21-ror-cho-viability-p1 set3 4 7.99290358 0.81895358 7.9173757 1.21806464 14.12663288 -7.06675872 7.04226784 -4.55459595 13.77635647 7.12847582 -6.33957826 13.95861084 -3.9658282 1.80437579 6.05457387 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-84-2 8017 144211521 FNS 2-Hydroxyethylhydrazine NNCCO Tox21_301204 -NCGC00259322-01 196721327 tox21-ror-cho-viability-p1 set3 4 27.8901987353 10.60670268 -6.60670268 4 4.9549173134 0.8203289906 0.0051277699 -6.20424892 -6.88508925 -3.40530905 -2.5007639 -6.18991425 -6.69333355 -8.8389189 -6.97122741 -7.54247786 -6.38228443 -6.60489024 -6.98258733 -6.50183417 3.73944867 3.45048047 1.2009999999E-9 2.6849999999E-9 6.0039999999E-9 1.3419999999E-8 3.002E-8 6.712E-8 1.501E-7 3.356E-7 7.505E-7 0.0000016779999999 0.0000037519999999 0.00000839 0.00001876 0.00004195 0.00009381 116-16-5 8303 144208971 Hexachloroacetone ClC(Cl)(Cl)C(=O)C(Cl)(Cl)Cl Tox21_201773 -NCGC00259970-01 196721340 tox21-ror-cho-viability-p1 set3 4 -6.8667561 -4.88288032 -2.36733606 -2.13133077 -6.48678858 -4.89615173 -5.94829765 -4.77344097 -6.89936433 -4.96487301 -5.7491768 -5.43351281 -6.27514558 -3.96911919 -0.95880474 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.962E-8 6.622E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 21245-02-3 30541 144209619 A A 2-Ethylhexyl 4-(dimethylamino)benzoate CN(C)c1ccc(cc1)C(=O)OCC(CC)CCCC Tox21_202421 -NCGC00259892-01 196721350 tox21-ror-cho-viability-p1 set3 4 25.1057368164 9.9346886759 -4.4346886759 5.5 4.9549173134 0.3598226525 0.328150425 -4.45813274 -2.49145547 -1.09279879 4.94236994 -7.13752146 -4.49988233 -8.27890723 -6.36890134 -7.31663005 -4.80171275 -5.24072086 -5.47291559 -2.44081832 4.7185379 -1.46000091 1.211E-9 2.707E-9 6.054E-9 1.3539999999E-8 3.027E-8 6.7689999999E-8 1.514E-7 3.3839999999E-7 7.568E-7 0.0000016919999999 0.0000037839999999 0.0000084609999999 0.00001892 0.0000423 0.00009459 298-04-4 3118 144209541 A A Disulfoton CCSCCSP(=S)(OCC)OCC Tox21_202343 -NCGC00095042-06 196721735 tox21-ror-cho-viability-p1 set3 4 32.2965172522 16.5794920039 -0.5794920039 16 1.8851180601 0.6606961928 0.0581327128 -2.50463328 5.19370949 3.86355305 -2.67122196 -1.66768996 -5.89957667 -4.60687479 -1.15203657 -2.83460104 3.27967631 1.06552032 2.86758632 0.98384364 11.58441472 13.35416059 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00259315-01 196721739 tox21-ror-cho-viability-p1 set3 4 -8.37551158 -5.24962604 -5.23266066 -0.02636739 -4.25026544 -3.55014837 -1.86197018 -1.85438267 -2.84543154 -2.29962653 -1.68481575 -1.2451422 -1.32407744 -2.01481918 1.30227611 1.197E-9 2.677E-9 5.986E-9 1.339E-8 2.993E-8 6.693E-8 1.497E-7 3.346E-7 7.4829999999E-7 0.000001673 0.000003741 0.000008366 0.00001871 0.00004183 0.00009353 103-69-5 7670 144208964 FNS N-Ethylaniline CCNc1ccccc1 Tox21_201766 -NCGC00259932-01 196722134 tox21-ror-cho-viability-p1 set3 4 -7.65772733 -5.93685306 -2.50759824 3.60029816 -3.06379156 -4.19730155 -5.89354162 -6.09942997 -4.52549943 -2.61787667 -5.57031715 -3.3759956 -4.44157381 -2.66905636 -13.22622204 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.305E-7 7.3889999999E-7 0.0000016519999999 0.0000036949999999 0.000008262 0.000018469999999 0.00004131 0.00009237 2921-88-2 2730 144209581 A B Chlorpyrifos Clc1cc(Cl)c(Cl)nc1OP(=S)(OCC)OCC Tox21_202383 -NCGC00259630-01 196722144 tox21-ror-cho-viability-p1 set3 4 54.9262221145 12.9630774799 -5.9630774799 7 4.5044702849 0.7169646957 0.0314586046 -5.80391659 -5.88891151 -4.53517886 -0.96468108 -6.53631132 -6.04294252 -6.68258436 -7.32691427 -7.8858979 -2.70842575 -7.42563692 -7.52829148 -7.16819639 -2.8283512 5.61274443 1.188E-9 2.656E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.639E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.0000037109999999 0.000008299 0.00001856 0.00004149 0.00009278 59-02-9 14985 144209279 A Ac alpha-Vitamin E CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(O1)c(C)c(C)c(O)c2C Tox21_202081 -NCGC00259004-01 196721370 tox21-ror-cho-viability-p1 set3 4 38.6884823325 10.7898860519 -3.7898860519 7 2.7202212143 0.8161304777 0.0057288784 -5.210094 -3.84395664 -5.17689881 -1.21822659 -2.60347479 -5.24157171 -4.08402641 -3.75174419 -4.20277416 -0.77048058 -3.49495563 -4.53579635 -2.57561549 1.78119769 6.0488538 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 111-40-0 8111 144208651 Diethylenetriamine NCCNCCN Tox21_201453 -NCGC00257603-01 196730446 tox21-ror-cho-viability-p1 set3 4 2.5664977 -3.08513092 -3.45310648 -0.6696308 1.32433058 -3.4422623 -0.82184464 -9.86100056 -6.27938508 0 -1.25051293 0 -5.43203354 1.78998176 0.35732754 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.000018429999999 0.0000412 0.000092129999999 86-86-2 6861 144207247 A A 1-Naphthaleneacetamide NC(=O)Cc2cccc1ccccc12 Tox21_200049 -NCGC00258288-01 196730421 tox21-ror-cho-viability-p1 set3 4 0.57512869 0.2485362 0.91996071 0.47214205 0.56870451 -0.50783149 -0.54104927 0.42106303 2.99561241 2.97686149 1.80224964 1.4489049 1.61287372 -0.26821109 1.83325584 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.3169999999E-8 2.944E-8 6.583E-8 1.472E-7 3.291E-7 7.3599999999E-7 0.0000016459999999 0.00000368 0.000008228 0.000018399999999 0.000041139999999 0.000092 541-69-5 10941 144207932 A B 1,3-Benzenediamine dihydrochloride Cl.Cl.Nc1cccc(N)c1 Tox21_200734 -NCGC00258140-01 196730425 tox21-ror-cho-viability-p1 set3 4 -2.26935007 -3.00400096 0.46426906 -1.56341069 5.21300803 -2.79474465 -2.6463766 2.08108787 1.9150684 4.11004191 2.34321913 1.83934449 2.24238284 5.72745003 4.81111754 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.96E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 402846-78-0 2734244 144207784 A A 1-Butyl-2,3-dimethylimidazolium tetrafluoroborate CCCCn1cc[n+](C)c1C.F[B-](F)(F)F Tox21_200586 -NCGC00258321-01 196730428 tox21-ror-cho-viability-p1 set3 4 1.69071035 0.45849503 1.0654408 0.66360673 1.36916871 0.05726746 -1.91224219 1.0131664 1.84300606 1.30447862 0.3395195 0.19593325 2.67326606 0.62713892 3.78404412 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 79-40-3 2777982 144207965 A Dithiooxamide NC(=S)C(N)=S Tox21_200767 -NCGC00255135-01 196700478 tox21-ror-cho-viability-p1 set1 4 0.273060203 6.361869876 -3.361869876 3 1.0999999999 0.5782784615 0.1142516909 0.3353234 -4.68488489 -6.55155823 -4.68056907 0.18914333 -3.62551258 -1.25988521 1.62576663 -0.3543601 0.47545268 7.19605392 2.16477095 1.27988041 5.38105795 0.99411568 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 127-39-9 23683016 144212694 A Sodium 1,4-diisobutyl sulfosuccinate [Na+].O=S(=O)([O-])C(CC(=O)OCC(C)C)C(=O)OCC(C)C Tox21_302377 -NCGC00255569-01 196700483 tox21-ror-cho-viability-p1 set1 -2.4 54.4826732819 -36.3680360679 1.5 -34.8680360679 1.8579476909 0.955825426 0.000004276 3.1781883 0.31767798 0.39933201 1.63759933 2.27397621 0.54102561 2.40106347 4.86535329 -0.53356411 0.41546858 0.10607182 -0.05394185 -4.99947295 -10.13310423 -25.72336339 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2104-96-3 16422 144212235 D Bromofos Clc1cc(OP(=S)(OC)OC)c(Cl)cc1Br Tox21_301918 -NCGC00255410-01 196700486 tox21-ror-cho-viability-p1 set1 4 68.5896218971 10.15447858 -2.15447858 8 0.7999999999 0.4498906714 0.2286799381 0.60208286 -4.39705114 -0.48294168 -1.36990433 -5.12873215 -0.63096646 -4.17272524 -1.80691309 -3.95905611 -1.02802818 0.77324677 0.24030081 0.71658885 -1.43910171 5.52606823 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 163520-33-0 6451155 144211570 A A Isoxadifen-ethyl CCOC(=O)C=1CC(ON=1)(c2ccccc2)c3ccccc3 Tox21_301253 -NCGC00163818-04 196700891 tox21-ror-cho-viability-p1 set1 -2.4 2.0615943808 -21.8963545039 -0.5 -22.3963545039 2.8472712143 0.9663449655 9.326E-7 0.61886859 -0.0168528 2.53093297 -1.25918377 0.31941533 -0.54381733 -1.1712979 -5.26982694 -1.70918112 -9.4732168 -19.47030709 -25.33029542 -21.66048187 -20.20646874 -22.81381238 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00255619-01 196700898 tox21-ror-cho-viability-p1 set1 -2.4 24.3365162115 -22.0308715599 1.5 -20.5308715599 4.9549173134 0.9059702721 0.0002371945 1.53986065 0.79364716 0.72140796 4.50337701 2.31775361 0.54015951 -0.29091732 5.2956121 0.62371112 0.64788936 0.06726764 -0.41123806 -0.22899831 -23.7757263 -16.62823339 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135-62-6 67274 144212309 A A 3-Hydroxy-2-naphthoic o-anisidide COc3ccccc3NC(=O)c1cc2ccccc2cc1O Tox21_301992 -NCGC00255814-01 196700899 tox21-ror-cho-viability-p1 set1 4 21.6899429044 -12.574230192 1 -11.574230192 1.752947691 0.569533301 0.1202662244 -0.68199732 -0.66946906 2.35192058 4.23472 -0.71063367 -0.71880738 2.50109705 6.70286786 -7.37490093 3.05145724 3.82693116 -3.85049553 -3.3096228 -8.93468459 -10.47852516 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-56-1 7149 144212357 A A Styrene glycol OC(CO)c1ccccc1 Tox21_302040 -NCGC00168342-02 196700903 tox21-ror-cho-viability-p1 set1 4 9.6294551845 -5.6344157079 1 -4.6344157079 3.9294729863 0.3854952461 0.3053591183 0.22043159 2.56566314 0.24764937 0.60969359 -1.04236118 0.64960026 1.08637949 0.97464838 0.62322407 4.92639978 0.58099993 1.25540109 -10.11201309 0.14399029 1.3954 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00181776-02 196698016 tox21-ror-cho-viability-p1 set1 -1.2 0.1883363179 -48.866398914 6.216427622 -42.649971292 2.1876167061 0.9581225906 0.0000031606 -0.62007827 9.03044588 4.12047401 5.53077607 7.17072901 9.39370168 1.58829484 -15.7308267 -32.87697795 -39.92148096 -39.94576412 -42.74678244 -35.08425608 -41.16932308 -56.27774588 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-37-1 7188 170465709 F Dicyclopentamethylenethiuram disulfide S=C(SSC(=S)N1CCCCC1)N2CCCCC2 Tox21_113156_1 -NCGC00183009-01 196698004 tox21-ror-cho-viability-p1 set1 4 0.9439175816 4.1147511759 -1.6147511759 2.5 4.9549173134 0.4899530577 0.2076993033 -3.84562598 0.81541675 -2.02849808 -0.90582235 -3.07843933 -1.69014966 -0.8169839 -1.08943676 -3.39513158 -1.00115266 6.24314791 -0.61206423 -0.02613931 5.18981517 0.20402276 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 150408-73-4 132916 144206813 A A Pranazepide Fc6ccccc6C3=N[C@H](NC(=O)c1cc2ccccc2n1)C(=O)N5CCc4cccc3c45 Tox21_113262 -NCGC00015256-12 196698008 tox21-ror-cho-viability-p1 set1 4 -2.59516694 -3.58625596 1.6783116 -0.89217815 -2.45768105 -0.12422217 -0.07369695 0.22027364 0.23859995 1.68905537 -2.93427637 -2.206464 1.07036236 1.18506333 0.87677622 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 50-63-5 64927 170464753 A Chloroquine O=P(O)(O)O.O=P(O)(O)O.CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 Tox21_110115_1 -NCGC00259000-01 196709447 tox21-ror-cho-viability-p1 set2 4 -3.36010928 -2.15716777 1.5552231 -3.11715629 1.25850823 -0.31784497 0.45260668 -1.60170139 -0.99807468 -2.53905294 -0.77158638 -0.36914999 1.57622561 -7.10377983 1.88783662 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009203 719-32-4 12868 144208647 2,3,5,6-Tetrachlorobenzene-1,4-dicarbonyl dichloride Clc1c(C(Cl)=O)c(Cl)c(Cl)c(C(Cl)=O)c1Cl Tox21_201449 -NCGC00259848-01 196709449 tox21-ror-cho-viability-p1 set2 4 -0.03324603 2.61574356 -1.81247105 5.25049573 -1.58779427 -0.761617 1.02325427 2.34739513 0.71702592 -2.98044355 -0.27396921 1.50123116 -0.50833553 -1.61928065 1.70312575 1.172E-9 2.621E-9 5.8609999999E-9 1.311E-8 2.9299999999E-8 6.553E-8 1.465E-7 3.276E-7 7.326E-7 0.0000016379999999 0.0000036629999999 0.000008191 0.00001832 0.00004095 0.00009158 57-41-0 1775 144209497 A A 5,5-Diphenylhydantoin O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3 Tox21_202299 -NCGC00091643-08 196709452 tox21-ror-cho-viability-p1 set2 -3 61.130564862 -40.905329484 2 -38.905329484 3.2474983358 0.9664662279 9.154E-7 4.55418629 1.3299501 2.72869666 1.26252961 2.32068665 3.45051554 1.01474637 1.79267376 3.93317048 3.95460328 -0.36160564 -0.37282399 -0.99505987 -6.34258277 -30.33777457 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00259250-01 196709455 tox21-ror-cho-viability-p1 set2 4 -2.0556857 4.96288917 -0.90836425 0.30214848 1.19645559 1.64306966 -1.4341322 1.5010927 -0.75616727 -0.7989802 0.44831963 4.69188275 7.6646772 5.3850213 1.23037206 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.000003688 0.000008248 0.00001844 0.00004124 0.000092209999999 111-42-2 8113 144208899 A A Diethanolamine OCCNCCO Tox21_201701 -NCGC00255891-01 196709858 tox21-ror-cho-viability-p1 set2 -1.1 0.685896219 -98.0392947481 4.51158507 -93.5277096781 1.24751 0.9665275397 9.012E-7 6.28771437 6.35412303 -0.42336948 0.64758305 3.01953459 1.68518262 0.62976659 -26.07746074 -60.73457155 -47.87143478 -92.04616135 -93.90332297 -92.63618099 -92.64879039 -88.15226695 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 637-03-6 4778 144211636 A Ac Phenylarsine oxide O=[As]c1ccccc1 Tox21_301319 -NCGC00256402-01 196707812 tox21-ror-cho-viability-p1 set1 -1.2 24.3365162115 -56.3293002828 -14.976436331 -71.3057366138 3.1319983358 0.9466626935 0.0000119567 -8.21747501 -14.23065077 -13.49745525 -7.49008274 -19.07604299 -17.76566423 -15.30147113 -16.26914276 -23.30805418 -18.42577105 -18.8159989 -16.81028054 -30.15484379 -66.06427688 -67.37345317 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 989-38-8 235227 144213215 A A Rhodamine 6G Cl.O=C(OCC)c4ccccc4C=1c3cc(C)c(cc3OC2=C\C(=N\CC)C(C)=CC=12)NCC Tox21_302898 -NCGC00256323-01 196707380 tox21-ror-cho-viability-p1 set1 4 -1.89132548 1.761787 -2.36333083 1.7547527 -1.55004545 -4.8452023 -0.04189451 -0.06618181 0.51726924 -4.49409249 -3.29743086 0.61862011 -2.36091889 -3.89473558 -4.02299875 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131-57-7 4632 144213169 A A 2-Hydroxy-4-methoxybenzophenone O=C(c1ccc(cc1O)OC)c2ccccc2 Tox21_302852 -NCGC00257185-01 196707382 tox21-ror-cho-viability-p1 set1 4 0.0001086482 -27.94877587 -8.32751691 3.03249371 -0.57197015 1.04679974 2.47615585 -0.79017958 2.78802867 6.20227695 -0.64110021 1.68766397 4.36869911 6.54315301 3.20748938 6.43040051 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1459-93-4 15088 144213526 A A Dimethyl isophthalate COC(=O)c1cccc(c1)C(=O)OC Tox21_303209 -NCGC00257395-01 196707405 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -35.526460704 1 -34.526460704 4.9549173134 0.9271304268 0.0000637645 0.21644136 -1.3632791 0.01138486 1.1353794 -1.45627095 3.59379861 3.0150922 1.23967411 -0.3610528 -0.47452179 3.29138665 -1.81759019 3.98592536 1.71425842 -28.35538392 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131-55-5 8571 144213944 A A 2,2',4,4'-Tetrahydroxybenzophenone O=C(c1ccc(O)cc1O)c2ccc(O)cc2O Tox21_303639 -NCGC00257460-01 196708212 tox21-ror-cho-viability-p1 set1 4 2.26085348 1.75023225 1.26255678 0.816081 1.26423249 0.21720868 5.76827749 1.33793427 2.12117404 3.07237564 1.47861861 0.25279169 2.79210147 3.33166986 -0.13980769 8.376E-10 1.873E-9 4.188E-9 9.365E-9 2.094E-8 4.682E-8 1.0469999999E-7 2.3409999999E-7 5.2349999999E-7 0.0000011709999999 0.0000026179999999 0.000005853 0.00001309 0.00002927 0.00006544 112809-51-5 3902 144213877 C C Letrozole N#Cc1ccc(cc1)C(c2ccc(C#N)cc2)n3cncn3 Tox21_303572 -NCGC00256793-01 196708216 tox21-ror-cho-viability-p1 set1 4 2.04980968 -0.49921213 2.0460001 -8.76438095 -9.34729102 -1.18084922 -1.57861488 1.91114749 1.89362433 -1.28829063 0.75375081 -0.37179769 -1.12032228 -0.17655415 -2.30127464 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 502-61-4 5281516 144213931 F Fns alpha-Farnesene C/C(C)=C\CCC(\C)=C\C\C=C(/C)C=C Tox21_303626 -NCGC00256518-01 196708231 tox21-ror-cho-viability-p1 set1 4 3.47796495 -0.52159646 0.23652502 0.82602408 0.43917013 5.4432211 7.51489077 9.08011147 -1.02846185 1.2426897 -0.67237543 -0.85363653 0.57431018 -0.7304833 10.07707137 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 315-22-0 9415 144213191 A F Monocrotaline O=C1OCC3=CCN2CC[C@@H](OC(=O)[C@H](C)[C@@](C)(O)[C@@]1(C)O)[C@H]23 Tox21_302874 -NCGC00259907-01 196708642 tox21-ror-cho-viability-p1 set2 4 1.44673125 0.2734284 4.36451332 1.78052929 0.19734058 0.26764118 3.27336347 -2.4660354 -2.44010939 -0.37378718 2.05886584 3.27946391 2.16344576 1.34407211 -2.86069093 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.552E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.0000036629999999 0.00000819 0.00001831 0.00004095 0.000091569999999 123-09-1 31243 144209556 A Ac 4-Chlorophenyl methyl sulfide CSc1ccc(Cl)cc1 Tox21_202358 -NCGC00260334-01 196723795 tox21-ror-cho-viability-p1 set3 4 -4.67682825 2.44956893 -1.98132108 -0.43381955 6.12442728 -2.22332302 5.33050334 -2.51524252 -6.18334674 1.60400556 -7.86302878 2.75961475 -9.99119518 1.04455228 0.64044929 7.244E-11 1.62E-10 3.622E-10 8.0979999999E-10 1.8109999999E-9 4.0489999999E-9 9.054E-9 2.025E-8 4.5269999999E-8 1.0119999999E-7 2.264E-7 5.0619999999E-7 0.000001132 0.000002531 0.0000056589999999 3564-09-8 5359885 144209986 Fc Ponceau 3R [Na+].[Na+].[O-]S(=O)(=O)c2cc3cc(c(O)c(/N=N/c1cc(C)c(C)cc1C)c3cc2)S([O-])(=O)=O Tox21_202788 -NCGC00188864-02 196723387 tox21-ror-cho-viability-p1 set3 3 26.6032120037 33.649690632 0.350309368 34 4.4494702849 0.9334144923 0.0000395767 0.71198806 0.26319952 -1.7006771 -0.79547461 -0.33260576 0.19600717 -1.07217611 0.82230726 -1.63084676 4.77016539 2.72216605 2.29310758 -4.29140886 9.04402768 31.03436204 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 133454-47-4 71360 170465198 A Iloperidone CC(=O)c4ccc(OCCCN1CCC(CC1)c3noc2cc(F)ccc23)c(OC)c4 Tox21_113610_1 -NCGC00182551-01 196723389 tox21-ror-cho-viability-p1 set3 4 23.7101376556 8.124600552 -0.124600552 8 3.9899729863 0.3365492964 0.3354722364 0.81268561 0.79986396 -0.89305308 -0.71619087 2.88703971 0.31128486 2.72585918 2.49162863 -3.77067631 -0.26455361 -6.77050046 3.88792958 -3.36944517 3.43865922 7.1241768 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 115-93-5 8293 144206631 B B Cythioate O=S(N)(=O)c1ccc(OP(=S)(OC)OC)cc1 Tox21_113080 -NCGC00357261-01 196723794 tox21-ror-cho-viability-p1 set3 4 1.9331181962 13.777926896 -6.777926896 7 0.4 0.4826335483 0.1945120201 -3.07039484 -6.31683192 -5.31149389 -11.06493908 -3.06367418 -8.0795471 0.92318849 5.08525382 -5.45445028 -1.06837974 3.97421704 -4.34271133 5.60929083 4.6357513 4.57124781 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6843-66-9 81284 251919803 F Dimethoxy(diphenyl)silane CO[Si](OC)(c1ccccc1)c2ccccc2 Tox21_303725 -NCGC00259446-01 196722176 tox21-ror-cho-viability-p1 set3 4 -9.0592296 -6.27780827 -3.12058747 -3.19169516 -2.65216389 -10.51597269 -8.30917254 -0.56762791 -13.46842371 -6.32695914 -3.90080283 -8.8280628 -12.10225879 -2.0454595 -4.58331421 1.1839999999E-9 2.647E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.618E-8 1.4799999999E-7 3.309E-7 7.399E-7 0.000001655 0.0000037 0.0000082729999999 0.0000185 0.00004136 0.000092489999999 2783-94-0 5359810 144209095 A A FD&C Yellow 6 [Na+].[Na+].O=S([O-])(=O)c3ccc(/N=N/c1c2ccc(cc2ccc1O)S([O-])(=O)=O)cc3 Tox21_201897 -NCGC00259438-01 196722152 tox21-ror-cho-viability-p1 set3 4 28.057484011 9.243076984 -6.743076984 2.5 4.9549173134 0.5541467557 0.13299723 -11.86923082 -4.35221569 -7.06124378 -0.21299559 -4.81073894 -7.61621533 -7.38577471 -6.15371404 -6.22623728 -8.62981257 -6.39661725 -10.44609452 -7.48241375 4.1740232 0.59177304 1.2069999999E-9 2.7E-9 6.0359999999E-9 1.3499999999E-8 3.0179999999E-8 6.7489999999E-8 1.509E-7 3.3739999999E-7 7.5449999999E-7 0.000001687 0.000003773 0.000008436 0.00001886 0.00004218 0.000094319999999 583-78-8 66 144209087 A A 2,5-Dichlorophenol Clc1ccc(Cl)c(O)c1 Tox21_201889 -NCGC00259101-01 196722159 tox21-ror-cho-viability-p1 set3 4 87.8441774357 -16.095051336 -3.774588488 -19.869639824 1.0999999999 0.6566043007 0.0612724998 -4.49606612 -8.21639274 -2.73497483 -3.31055148 -3.45645397 -1.495769 -4.9261883 -3.26954722 -3.05124997 -1.47882374 -3.89920323 -6.43783093 -5.5520265 -6.00456551 -14.89136652 1.197E-9 2.676E-9 5.9839999999E-9 1.338E-8 2.992E-8 6.69E-8 1.496E-7 3.345E-7 7.48E-7 0.000001673 0.00000374 0.000008363 0.000018699999999 0.000041819999999 0.0000935 97-16-5 7327 144208750 A A 2,4-Dichlorophenyl benzenesulfonate Clc2cc(Cl)ccc2OS(=O)(=O)c1ccccc1 Tox21_201552 -NCGC00259742-01 196722172 tox21-ror-cho-viability-p1 set3 4 -7.14145481 -10.95303216 -9.58017867 -2.24355298 1.09780851 -14.0528727 -15.35280791 -5.15706845 -8.22333414 -1.99137313 -12.76216119 -8.42255168 -8.22882132 1.37339556 -1.1779035 1.214E-9 2.7139999999E-9 6.0679999999E-9 1.357E-8 3.034E-8 6.7839999999E-8 1.517E-7 3.3919999999E-7 7.5849999999E-7 0.000001696 0.000003793 0.0000084809999999 0.00001896 0.000042399999999 0.000094819999999 110-16-7 444266 144209391 A A Maleic acid O=C(O)/C=C\C(=O)O Tox21_202193 -NCGC00263565-01 196722568 tox21-ror-cho-viability-p1 set3 2.4 29.8492948118 29.146192868 0.853807132 30 1.21 0.8270652432 0.0042819067 1.49286922 0.59616297 -1.37182739 1.49753842 -0.33193337 -0.38799564 0.80705862 -0.8409892 1.22574646 6.2216799 6.15431272 -1.28801078 3.45739864 11.48516565 22.29326741 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60282-87-3 3033968 170466131 A Gestodene O=C4CC[C@H]3C(CC[C@@H]2[C@@H]3CC[C@@]1(CC)[C@H]2C=C[C@@]1(O)C#C)=C4 Tox21_112232_1 -NCGC00263574-01 196722980 tox21-ror-cho-viability-p1 set3 4 0 -1.35328553 -0.73841106 2.80653148 0.32321586 2.28687581 1.33200788 1.72482608 -5.12908846 -8.37900184 6.67573177 -9.3275217 1.1419084 -7.07018348 5.86658799 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59198-70-8 91670 170465700 A Diflucortolone valerate CCCCC(=O)OCC(=O)[C@H]4[C@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3C[C@H](F)C1=CC(=O)C=C[C@@]12C Tox21_112929_1 -NCGC00016795-11 196722985 tox21-ror-cho-viability-p1 set3 4 0.0530803864 11.199494576 -12.199494576 -1 2.7202212143 0.5287101905 0.1532156369 -14.72484075 -2.12899476 -5.88062117 -23.91624548 -12.00745193 -14.77976692 0 -3.3696821 -0.04917403 -1.48881452 1.56724024 -1.60623467 -4.49410229 -2.8879515 2.11164054 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25953-17-7 33254 170466172 A Minaprine dihydrochloride Cl.Cl.Cc2cc(nnc2NCCN1CCOCC1)c3ccccc3 Tox21_111355_1 -NCGC00090789-02 196722987 tox21-ror-cho-viability-p1 set3 4 -6.39574806 -0.35352803 -20.97744264 -1.09051595 0 1.08516392 -0.11489226 0 -4.11833211 -1.88451634 1.86775086 -0.4428449 -3.14733703 -1.79166419 9.55130313 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00257279-01 196726700 tox21-ror-cho-viability-p1 set3 4 -2.63412232 0.43456885 -1.78529719 -1.59527588 -6.08161685 0.15086025 -0.13250331 -22.62760116 -6.69405995 -3.78897395 0 -2.04523792 -3.14510441 -17.3286103 -13.00297402 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1085-12-7 14138 144213768 A A Heptylparaben Oc1ccc(cc1)C(=O)OCCCCCCC Tox21_303458 -NCGC00257218-01 196726697 tox21-ror-cho-viability-p1 set3 4 -1.39462296 3.2011212 1.23062572 1.56740794 -3.91544647 -1.97648523 -2.14048898 -2.11393639 -3.89432878 1.51623228 -1.10273768 -5.89853914 2.79503653 2.73781098 1.16038554 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 328-84-7 9481 144213406 F Fns 1,2-Dichloro-4-(trifluoromethyl)benzene Clc1ccc(cc1Cl)C(F)(F)F Tox21_303089 -NCGC00016760-08 196725880 tox21-ror-cho-viability-p1 set3 4 0.0066824247 8.2085423759 -1.2085423759 7 4.9549173134 0.3770332573 0.3105998346 2.40842193 -0.2138411 -5.59045198 1.8774875 14.64691665 -2.22650376 1.62269258 5.75573445 9.49780273 5.71208047 9.09415631 8.22225036 12.10182222 4.73571828 2.88691798 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 22232-54-8 31072 170465583 A Carbimazole S=C1N(C=CN1C)C(=O)OCC Tox21_110596_1 -NCGC00090693-11 196725882 tox21-ror-cho-viability-p1 set3 4 2.9849294812 -11.780494364 0.5 -11.280494364 4.9549173134 0.6423732823 0.0687652608 0 0 -3.37405068 2.35618593 4.68738317 4.4865171 4.89726866 -10.24478835 -0.04612501 0.34624886 3.58553436 -10.83544748 -11.90041197 -9.27027275 -11.56544724 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25162-00-9 157672 170464932 Z D-Nicotine CN2CCC[C@@H]2c1cnccc1 Tox21_112053_1 -NCGC00256677-01 196726703 tox21-ror-cho-viability-p1 set3 4 2.66625264 3.50832523 -5.98629162 2.77154943 -20.9445013 3.7430214 3.37619997 -8.09512455 -0.74687982 -0.52630452 -1.77980801 -4.55522888 -6.11633207 -6.76141767 -5.33711997 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 23495-12-7 31954 144213035 A Ac Phenoxyethyl propionate CCC(=O)OCCOc1ccccc1 Tox21_302718 -NCGC00256817-01 196726711 tox21-ror-cho-viability-p1 set3 4 1.65652438 2.12754259 2.68109022 5.15777381 3.02305004 0.07001486 -0.204235 1.95906177 6.15703201 4.97661373 1.18760874 2.73675568 5.07744087 1.74858824 3.21772885 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2499-59-4 17258 144212845 A Ac Octyl prop-2-enoate CCCCCCCCOC(=O)C=C Tox21_302528 -NCGC00256614-01 196726714 tox21-ror-cho-viability-p1 set3 -2.4 0.0021689943 -20.2763270959 19 -1.2763270959 1.98874246 0.9336244188 0.0000848996 14.95815638 4.97478342 3.26849856 -1.63669251 -2.73027258 -1.62355152 -1.77002594 -0.4945414 -0.42859495 -2.15029243 -1.85547297 0.74696003 -1.4957784 -1.14335066 9.76740645 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 540-72-7 516871 144213292 Sodium thiocyanate [Na+].[S-]C#N Tox21_302975 -NCGC00256892-01 196727121 tox21-ror-cho-viability-p1 set3 4 0.0015355304 -12.127673696 11 -1.127673696 4.9549173134 0.5016267763 0.1788397615 8.49032166 -0.62219247 1.13763456 0.29273271 -7.18972808 -4.92160584 -0.8799288 0.92169227 -0.24249227 1.1908926 -0.16616512 -4.46410144 -1.40705851 -0.37593253 1.17303792 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-38-8 7651 144212821 A A Benzyl 3-methylbutanoate CC(C)CC(=O)OCc1ccccc1 Tox21_302504 -NCGC00256714-01 196727134 tox21-ror-cho-viability-p1 set3 4 11.41882521 -0.12462478 2.8255899 -0.58058343 1.20365019 -0.99384577 0.79349797 0.71925637 -11.35288427 -14.54670876 0 0.75273044 0.89671181 12.30398236 1.31070972 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 24772-51-8 60196434 144213010 F Aluminum butan-2-olate (2Z)-4-ethoxy-4-oxobut-2-en-2-olate (1:2:1) O=C(/C=C(/C)O[Al](OC(C)CC)OC(C)CC)OCC Tox21_302693 -NCGC00015675-08 196727135 tox21-ror-cho-viability-p1 set3 4 -0.48283828 -9.07209438 0.72814872 -1.36419302 -0.26614231 0.99637551 -0.30298727 -2.65922355 -1.87530595 -1.28991997 0.6336424 2.85959736 -1.47959222 3.37243696 3.19131929 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00256919-01 196727136 tox21-ror-cho-viability-p1 set3 4 4.53174678 6.90930307 5.87041386 -0.09275694 4.66703604 2.21870841 3.55719763 -2.98797345 2.95750038 0.50268491 1.94917692 13.05470371 3.61678757 6.5835079 -2.69887429 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-52-6 7658 144212924 A Ac 2-Phenylethyl butanoate CCCC(=O)OCCc1ccccc1 Tox21_302607 -NCGC00256484-01 196727545 tox21-ror-cho-viability-p1 set3 4 0.1722893406 5.857855596 -2.857855596 3 4.9549173134 0.5453421605 0.1404937902 0.21738773 -6.36198159 -7.38154633 -3.14934883 2.15850696 -2.99277797 -1.13784348 6.17519967 3.09411554 3.14297765 4.43781733 -0.68436064 1.22777749 3.57636724 2.34567357 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-76-9 7064 144213286 A A 6-Phenyl-1,3,5-triazine-2,4-diamine Nc1nc(nc(N)n1)c2ccccc2 Tox21_302969 -NCGC00257332-01 196727548 tox21-ror-cho-viability-p1 set3 -2.1 40.3212779718 -78.239290557 -2.6150515199 -80.8543420769 3.6272481694 0.9611609719 0.0000020792 -1.61746719 -0.79755167 -13.25482076 -0.83711669 0.78992625 -2.84697043 -1.19872057 -2.86876414 -0.42896314 -0.86577249 -0.05704769 -3.15367688 -5.03804277 -16.02578763 -65.36058895 7.579E-10 1.6949999999E-9 3.789E-9 8.473E-9 1.895E-8 4.2369999999E-8 9.4729999999E-8 2.1179999999E-7 4.737E-7 0.000001059 0.0000023679999999 0.000005296 0.00001184 0.00002648 0.00005921 68392-35-8 63062 144213959 I I 4-Hydroxytamoxifen Oc1ccc(cc1)C(c2ccc(OCCN(C)C)cc2)=C(CC)c3ccccc3 Tox21_303657 -NCGC00255031-01 196699259 tox21-ror-cho-viability-p1 set1 4 -0.01602518 -0.33096304 -0.00610691 0.26825844 -3.79706883 1.20872881 1.09558753 0.01520072 0.67914544 5.80568468 0.11830645 0.26593744 0.72380367 2.57038645 3.19654454 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 181274-15-7 12056759 144211449 A A Propoxycarbazone-sodium [Na+].O=C([N-]S(=O)(=O)c1ccccc1C(=O)OC)N2N=C(OCCC)N(C)C2=O Tox21_301132 -NCGC00254810-01 196699265 tox21-ror-cho-viability-p1 set1 4 -3.18698268 -0.59231659 -3.68560761 -1.90065009 -0.86395753 -5.64427649 1.69460554 -5.17739139 -1.06050045 -2.60889116 1.16813645 2.08786885 -0.72594093 1.43200126 -3.86915289 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-14-5 31200 144211223 D Fenitrothion S=P(Oc1cc(C)c(cc1)[N+]([O-])=O)(OC)OC Tox21_300906 -NCGC00254577-01 196699256 tox21-ror-cho-viability-p1 set1 -2.2 54.4826732819 -45.7334923752 0.884778638 -44.8487137372 3.5722481694 0.9543550697 0.0000051055 0.35467784 1.95589059 -1.80395382 -0.10962538 -2.69076104 2.68042792 1.60148901 1.38596051 7.25167291 -1.59059706 0.48577192 1.46475298 0.42556925 -11.07610249 -38.90054071 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-27-9 7551 144210986 A F Barban Clc1cc(NC(=O)OCC#CCCl)ccc1 Tox21_300669 -NCGC00254448-01 196699264 tox21-ror-cho-viability-p1 set1 4 61.130564862 11.1253895639 -1.1253895639 10 4.0949729863 0.6845366099 0.0464968133 2.93637004 -0.20635955 -1.45848523 -3.05290461 -0.85566324 0.34259633 -2.53128427 -4.27115797 -0.52508241 -0.72406838 -1.66342526 -0.15547439 -0.33677958 0.89368049 8.28475892 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-25-4 8170 144210863 A A 2-(Hexyloxy)ethanol OCCOCCCCCC Tox21_300545 -NCGC00254770-01 196699667 tox21-ror-cho-viability-p1 set1 -2.2 61.0684034629 -70.8453217387 -2.086826752 -72.9321484907 3.5722481694 0.9867141876 4.4E-9 -3.84761847 -4.11498684 -2.39958351 -3.69178949 -3.83081027 -3.31484315 1.05896688 1.07118533 -0.29631668 -2.12960689 -0.06562996 -0.98542607 -3.30694862 -16.34132594 -59.79708219 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 68694-11-1 91699 144211183 A A Triflumizole FC(F)(F)c2cc(Cl)ccc2\N=C(/COCCC)n1ccnc1 Tox21_300866 -NCGC00254690-01 196699676 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -26.2874921319 1.5 -24.7874921319 4.9549173134 0.8894359029 0.0005355232 1.8141028 0.48882881 0.2556231 3.96448933 2.03039924 -1.59875423 -1.31501195 2.12615143 1.61997067 3.34349364 -0.65951729 3.56443861 0.75446987 0.69772343 -17.32291011 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 113-48-4 8227 144211103 I I MGK-264 CCC(CCCC)CN3C(=O)C2C1CC(C=C1)C2C3=O Tox21_300786 -NCGC00254718-01 196699679 tox21-ror-cho-viability-p1 set1 4 -5.51041309 -0.61582361 -6.74237276 -3.56228814 0.16116565 0.3775777 -0.17831735 -4.30298434 -0.04802813 0.02243775 -5.67562892 1.03563576 0.39120677 0.27281047 0.30711488 1.142E-9 2.5539999999E-9 5.7099999999E-9 1.277E-8 2.8549999999E-8 6.384E-8 1.4269999999E-7 3.1919999999E-7 7.1369999999E-7 0.000001596 0.0000035689999999 0.00000798 0.00001784 0.000039899999999 0.000089219999999 10124-37-5 24963 144211131 Calcium nitrate [Ca+2].[O-][N+]([O-])=O.[O-][N+]([O-])=O Tox21_300814 -NCGC00255942-01 196700082 tox21-ror-cho-viability-p1 set1 4 24.3365162115 8.792809464 0.207190536 9 3.1924983358 0.4455601201 0.2493438308 0.28393104 0.78102335 0.45230314 0.58611186 -0.20372483 0.64250406 0.85510809 1.14346273 1.6129285 4.22257552 -6.07734122 1.37946615 2.8371513 7.48633627 0.98946654 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 39196-18-4 38235 144212168 A A Thiofanox O=C(O\N=C(\CSC)C(C)(C)C)NC Tox21_301851 -NCGC00255766-01 196700092 tox21-ror-cho-viability-p1 set1 -1.3 2.4336516212 -56.9531266143 -8.480510871 -65.4336374853 4.9549173134 0.9386768504 0.5171076216 -11.75518223 -6.81974901 -12.28378889 -16.9683837 -1.43204754 -9.73858294 -10.43377333 -12.84573976 -12.9051408 -11.37720336 -69.05258577 -55.32645866 -3.27650205 -21.84703713 -66.46029787 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4986-89-4 62556 144212002 A Ac Pentaerythritol tetraacrylate O=C(C=C)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C Tox21_301685 -NCGC00255426-01 196700096 tox21-ror-cho-viability-p1 set1 -2.1 30.6378586933 -77.583354042 -2.672445222 -80.255799264 3.5117481694 0.9843931741 1.12E-8 -6.2405448 -6.28624534 -2.27971282 -3.92867679 -0.9759666 -1.3422259 3.12466132 -4.85553752 -3.73771139 -4.13881382 1.71040406 -6.48071808 -13.08445444 -58.33300447 -83.5997909 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 153559-49-0 82146 144212724 A A Bexarotene O=C(O)c1ccc(cc1)C(=C)c2cc3c(cc2C)C(C)(C)CCC3(C)C Tox21_302407 -NCGC00256248-01 196700099 tox21-ror-cho-viability-p1 set1 4 2.11447183 4.42589353 4.46904731 -1.65145459 3.95169484 -0.25531226 2.46757058 3.60880121 -1.60025674 4.04633128 0.96902607 -1.53910793 1.06441305 2.43101368 -1.09613548 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25804-49-3 117640 144211565 A A tert-Butyl 4-hydroxybenzoate Oc1ccc(cc1)C(=O)OC(C)(C)C Tox21_301248 -NCGC00255812-01 196700497 tox21-ror-cho-viability-p1 set1 4 -10.31154493 0.06668463 -0.15546878 -5.9885183 -13.39465172 -10.63034607 -0.07946225 1.61893788 -12.87661375 -0.8615953 -6.75659365 -6.70258053 -7.25265179 -21.47990359 -16.43731491 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4246-51-9 20239 144211826 F F 3,3'-[Oxybis(ethane-2,1-diyloxy)]dipropan-1-amine NCCCOCCOCCOCCCN Tox21_301509 -NCGC00259984-01 196708671 tox21-ror-cho-viability-p1 set2 4 1.78474898 0.57847082 1.18077625 2.45601414 1.16851181 1.65171586 1.160039 -1.02145862 0.91512599 0.04313837 0.18062982 1.41807349 1.79854317 4.53331678 2.48187578 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004129 0.000092319999999 99-08-1 7422 144209633 A Ac 3-Nitrotoluene Cc1cc(ccc1)[N+](=O)[O-] Tox21_202435 -NCGC00257509-01 196707834 tox21-ror-cho-viability-p1 set1 4 -0.30471143 0.42541529 -1.05918177 0.90563469 -1.95661588 1.73708167 0.47380222 -0.04095666 0.49405254 2.16833807 -0.22168964 -0.86097282 0.87275701 2.31694983 0.61487555 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 127-25-3 173058 144213817 A F Methyl abietate CC(C)C=3CC[C@H]1C(=CC[C@H]2[C@@](C)(CCC[C@]12C)C(=O)OC)C=3 Tox21_303509 -NCGC00256350-01 196708243 tox21-ror-cho-viability-p1 set1 4 0.1933118196 5.4397115199 -3.4397115199 2 3.1924983358 0.353353498 0.3180350064 -5.36193292 -0.73474851 -2.57317942 -0.59718315 -8.6997596 -1.06114272 -1.75314666 0.2773909 8.67754735 0.15486199 -5.7728127 2.62996673 1.88285646 3.26591698 4.01370549 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 20917-49-1 30360 144213279 A Ac Nitrosoheptamethyleneimine O=NN1CCCCCCC1 Tox21_302962 -NCGC00258817-01 196708661 tox21-ror-cho-viability-p1 set2 4 -2.14612038 -1.22625137 -2.13275356 -3.37182876 -2.54279966 1.11703039 -0.78445164 1.46877096 -1.48815123 -0.13547156 -1.42101443 -2.19072606 -0.0572659 -3.78019447 -2.41030136 1.1859999999E-9 2.6519999999E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001853 0.000041439999999 0.000092669999999 108-44-1 7934 144208463 A Fc 3-Methylaniline Cc1cc(N)ccc1 Tox21_201265 -NCGC00258819-01 196709073 tox21-ror-cho-viability-p1 set2 4 5.4150405893 -15.9533118959 0 -15.9533118959 4.9549173134 0.8456233707 0.0025733681 2.97619826 1.36257801 -1.022139 -4.36302283 3.08157183 3.81662566 -3.60546158 -6.47553947 1.53006543 1.54989752 0.27244656 -15.43190241 -14.04643934 -15.3428218 -18.29442658 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 0.000091709999999 20624-25-3 517546 144208465 D Sodium diethyldithiocarbamate trihydrate O.[Na+].O.O.CCN(CC)C([S-])=S Tox21_201267 -NCGC00259751-01 196709088 tox21-ror-cho-viability-p1 set2 4 3.29067701 -4.86384943 1.01043815 1.75007984 -5.4827057 -2.93801674 3.28705523 -2.9276684 -5.14593638 2.33252768 -5.9337245 -3.34933859 -2.45270728 -6.48470119 1.36342044 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.61E-8 1.4779999999E-7 3.305E-7 7.3899999999E-7 0.0000016529999999 0.0000036949999999 0.000008263 0.00001848 0.00004131 0.000092379999999 105-60-2 7768 144209400 A A Caprolactam O=C1CCCCCN1 Tox21_202202 -NCGC00259532-01 196709494 tox21-ror-cho-viability-p1 set2 4 0.86762805 1.20842332 5.90771535 1.98853037 1.03429915 1.69116875 2.51872937 3.24916416 0.6053367 3.48869403 2.30005798 4.16472747 -3.77197386 4.25957355 4.9058474 1.1699999999E-9 2.6159999999E-9 5.849E-9 1.3079999999E-8 2.925E-8 6.54E-8 1.462E-7 3.27E-7 7.3119999999E-7 0.000001635 0.000003656 0.000008175 0.00001828 0.000040869999999 0.0000914 2461-15-6 17162 144209181 A F 2-Ethylhexyl glycidyl ether CCC(CCCC)COCC1CO1 Tox21_201983 -NCGC00259586-01 196709503 tox21-ror-cho-viability-p1 set2 4 -0.24268596 2.61671389 1.61239752 2.12159837 1.14013221 0.51311728 1.98927829 1.22370415 0.26840748 1.40213021 2.34376622 2.02076275 -0.13701611 -0.27243716 -0.33231929 1.1689999999E-9 2.614E-9 5.844E-9 1.3069999999E-8 2.922E-8 6.5339999999E-8 1.461E-7 3.267E-7 7.305E-7 0.0000016329999999 0.000003653 0.000008167 0.00001826 0.00004084 0.000091309999999 88-06-2 6914 144209235 A A 2,4,6-Trichlorophenol Clc1cc(Cl)cc(Cl)c1O Tox21_202037 -NCGC00259701-01 196709507 tox21-ror-cho-viability-p1 set2 4 68.8687250228 -14.525834244 -0.5 -15.025834244 4.5044702849 0.9643327828 0.0000013435 -0.64478649 0.00055869 -0.16273617 -0.75801137 -0.99524396 -0.44044361 0.17499912 0.77768538 -0.69363678 -0.81753396 -0.14546288 0.54173425 -1.3348973 -1.80908138 -12.10486187 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004135 0.00009247 20325-40-0 62311 144209350 C C 3,3'-Dimethoxybenzidine dihydrochloride Cl.Cl.Nc1ccc(cc1OC)c2ccc(N)c(OC)c2 Tox21_202152 -NCGC00163919-02 196709511 tox21-ror-cho-viability-p1 set2 4 70.1970324498 -14.226237436 -1 -15.226237436 0.9999999999 0.6901751471 0.0435988218 -0.14398776 0.81536079 0.91148722 -1.77665972 -2.32595101 -2.43313849 -0.80225652 -0.57683275 -2.46069998 -4.17178057 -1.38488095 -3.83583451 -0.42752281 -5.92386701 -11.02186453 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00256089-01 196709909 tox21-ror-cho-viability-p1 set2 4 0.968854161 6.3139770799 -7.3139770799 -1 1.8851180601 0.5172126529 0.1644809222 -1.18586637 -7.91459551 -8.98848006 -7.17739264 -4.36237791 -11.0949809 -10.37464302 -7.20301213 -2.66543874 -5.07758835 -1.23774787 1.36220451 -2.88525519 1.38616687 -3.5079064 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-12-8 1549025 144212291 A Ac cis-3,7-Dimethyl-2,6-octadien-1-yl acetate C\C(C)=C\CCC(\C)=C/COC(C)=O Tox21_301974 -NCGC00255742-01 196709918 tox21-ror-cho-viability-p1 set2 4 -3.77924079 -0.63393867 -0.57655313 1.03054494 -1.35966516 -1.76938173 -1.41498515 -0.51243854 -0.66973402 -1.2626183 -2.42146116 -2.84631884 -1.79581882 -4.29366747 -5.73993543 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6606-59-3 81080 144212410 A A 1,6-Hexanediol dimethacrylate C=C(C)C(=O)OCCCCCCOC(=O)C(=C)C Tox21_302093 -NCGC00178877-03 196722595 tox21-ror-cho-viability-p1 set3 4 8.73057708 2.69117258 3.94721712 9.24830031 8.64424987 5.31654839 2.16812188 12.26522868 -8.91245665 10.59379691 10.91315467 8.50401522 -16.26083448 12.67862076 -3.29255522 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7246-14-2 23678596 170465152 A Methicillin sodium hydrate [Na+].O.O=C([O-])[C@@H]2N3C(=O)[C@@H](NC(=O)c1c(OC)cccc1OC)[C@H]3SC2(C)C Tox21_111320_1 -NCGC00274071-01 196722612 tox21-ror-cho-viability-p1 set3 4 0.0001804576 45.33286411 28.96418706 17.76386212 16.46841624 10.20369805 3.55036475 2.07131133 -1.9666615 -0.24463849 -0.33223205 0.62801203 -2.30803723 -0.61908495 2.17928017 12.51705597 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 130-95-0 8549 170465032 A Quinine COc1cc2c(cc1)nccc2[C@@H](O)[C@@H]4CC3CCN4C[C@@H]3C=C Tox21_112389_1 -NCGC00259627-01 196722189 tox21-ror-cho-viability-p1 set3 4 -5.54961645 -4.39629371 -3.87591337 1.15402185 -4.86680544 -5.32068563 -3.4909988 -4.33722165 -4.65217347 -2.09020442 -5.50016786 -5.05820732 -6.06202571 -2.81780315 -6.65329684 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.00009231 562-10-7 11224 144209276 A A Doxylamine succinate O=C(O)CCC(=O)O.CN(C)CCOC(C)(c1ccccn1)c2ccccc2 Tox21_202078 -NCGC00259827-01 196722193 tox21-ror-cho-viability-p1 set3 -3 67.7534495245 -48.323538627 -1.159108017 -49.482646644 4.9549173134 0.802266916 0.0075731434 -1.6027497 4.05421776 -13.22835388 -7.46504217 -1.35579962 -0.64707166 -0.19363434 -3.2777011 -2.32395802 -0.70075367 3.92201716 -1.56865124 -0.90146357 5.3555413 -41.23553887 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.265E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.000008162 0.00001825 0.00004081 0.00009125 673-84-7 5368821 144209476 FNS 2,6-Dimethyl-2,4,6-octatriene C\C(C)=C\C=C\C(\C)=C\C Tox21_202278 -NCGC00161602-06 196723005 tox21-ror-cho-viability-p1 set3 1.2 1.0590929458 27.9420079319 -0.9420079319 27 3.0654483358 0.9654110927 0.0000031498 -1.53203207 -1.1623992 -1.64718774 0.03062667 -0.9144547 -1.67208665 -1.3402315 -3.28500661 4.4194554 4.76565334 24.8380269 26.90509214 22.64063057 30.49029726 21.51146269 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10592-13-9 54685920 170465097 B Doxycycline Cl.NC(=O)C=3C(=O)[C@@]4(O)C(O)=C2C(=O)c1c(O)cccc1[C@H](C)[C@H]2[C@H](O)[C@H]4[C@@H](C=3O)N(C)C Tox21_110566_1 -NCGC00160395-04 196723013 tox21-ror-cho-viability-p1 set3 4 0.1883363179 16.2387855874 -8.5457092125 7.6930763749 4.4494702849 0.6031718546 0.0944371924 -8.14631622 0.99594285 0.66925714 -6.97736093 -7.31875262 -14.14041968 -26.59546075 -1.59627613 7.94523998 7.91983763 5.1711497 5.18947909 5.85965953 6.86704342 15.335303 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 315-80-0 443945 170466001 A Dibenzepin hydrochloride Cl.CN(C)CCN3c1ccccc1N(C)c2ccccc2C3=O Tox21_111784_1 -NCGC00091532-04 196723027 tox21-ror-cho-viability-p1 set3 -2.4 55.1482208978 -29.064951256 -2 -31.064951256 1.826479391 0.7239549117 0.0282933834 -1.29636893 0.11184261 -2.5360056 1.07344669 -9.85193771 -8.64966817 -4.36282674 0 1.23935256 1.1656609 3.25755249 -2.59833306 -7.77546833 -11.63457597 -23.38745938 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00244580-01 196723428 tox21-ror-cho-viability-p1 set3 4 61.130564862 -37.1768883 3.5 -33.6768883 0.7 0.5377905655 0.145360543 3.88336258 8.10555617 6.05743205 10.06944006 -3.05695137 -5.26954518 -4.38601211 10.45932082 0.42903741 4.39889904 -2.03547889 -10.83320348 -6.78688832 -1.37368493 -24.73074025 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00260430-01 196723838 tox21-ror-cho-viability-p1 set3 4 -5.77988332 -0.20417158 3.11101612 1.90369173 6.88372175 3.98391075 7.25942576 3.09091634 -5.95546009 4.20806469 4.52196236 -7.79295471 0.54165751 -0.52701559 2.77118875 1.1699999999E-9 2.6159999999E-9 5.851E-9 1.3079999999E-8 2.925E-8 6.5409999999E-8 1.463E-7 3.271E-7 7.3129999999E-7 0.000001635 0.000003657 0.000008176 0.00001828 0.00004088 0.00009141 16452-01-0 27882 144210082 A B 3-Methoxy-4-methylaniline Cc1ccc(N)cc1OC Tox21_202884 -NCGC00260589-01 196723857 tox21-ror-cho-viability-p1 set3 4 0.0011883218 14.2206802879 -11.7206802879 2.5 0.8999999999 0.4614744921 0.2145627942 -8.93390024 -4.1696259 2.14105114 -2.79607952 2.29073775 -2.1614404 0.68181542 2.95493697 6.90406346 -4.95864315 2.62838602 -0.18997574 5.0608224 5.75952881 4.7738179 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49485 144210242 M M NTP Mix46 CT1 3-EQP Tox21_203044 -NCGC00260597-01 196723858 tox21-ror-cho-viability-p1 set3 4 0.0007497804 10.12824842 -7.12824842 3 4.0949729863 0.3453770842 0.3274278507 -4.27354035 2.35296567 -0.78129431 5.29821321 -0.48310123 3.26564036 2.63868164 3.85488782 3.38159082 3.84178339 9.48957948 2.46685653 -0.31772264 2.32389088 6.53006978 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49493 144210250 M M NTP Mix51 CT1 3-EQP Tox21_203052 -NCGC00238452-03 196697705 tox21-ror-cho-viability-p1 set1 4 8.4126743008 -16.18485646 -1.5 -17.68485646 3.0654483358 0.8272739204 0.004260011 -3.20714987 -4.91743784 -3.04033424 -1.60403663 -6.21518921 -4.47758136 -0.03956181 1.83470647 0.20663136 -1.34750296 3.2817712 -2.46733401 -11.63647218 -15.13895549 -18.90404705 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 170364-57-5 176167 170465609 A Enzastaurin Cn2cc(c1ccccc12)C=3C(=O)NC(=O)C=3c7cn(C5CCN(Cc4ncccc4)CC5)c6ccccc67 Tox21_113367_1 -NCGC00015725-15 196722971 tox21-ror-cho-viability-p1 set3 4 11.8832183006 -14.086786768 2.5 -11.586786768 4.4494702849 0.7962546338 0.0120503864 2.02784104 2.98848443 5.10511288 2.62239237 2.78963513 2.03616617 4.18632317 -1.10649637 -0.3438808 5.19425594 1.25044197 4.69893405 0.49483029 -12.15565564 0.1938685 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51803-78-2 4495 170465612 A Nimesulide [O-][N+](=O)c2cc(Oc1ccccc1)c(cc2)NS(C)(=O)=O Tox21_110207_1 -NCGC00167519-02 196722545 tox21-ror-cho-viability-p1 set3 4 0.5955717307 -9.001940052 -0.5 -9.501940052 1.0999999999 0.8049948002 0.0102011939 -1.97785553 0.99021577 0.39603984 0.48865915 -0.85573644 -1.54448761 -2.54252474 -1.6289602 -1.33639111 -9.86171959 -4.63924552 -9.67767277 -10.00161671 -8.31054656 10.00888058 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 116649-85-5 123879 170465980 A Ramatroban Fc1ccc(cc1)S(=O)(=O)N[C@H]3Cc4c2ccccc2n(CCC(=O)O)c4CC3 Tox21_112516_1 -NCGC00016047-11 196722553 tox21-ror-cho-viability-p1 set3 4 0.004216325 -20.5471999079 19 -1.5471999079 0.5 0.6772084877 0.0593078737 13.45190632 15.61625966 6.30846434 4.08998684 10.38360768 -3.37266659 5.22530354 6.85357675 0.13832093 -1.60170298 -2.17039784 -2.8419824 -1.1286012 0.10966976 11.90947775 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25371-96-4 1359 170466868 A 1-[2-(Trifluoromethyl)phenyl]-1H-imidazole FC(F)(F)c1ccccc1n2ccnc2 Tox21_110289_1 -NCGC00247684-01 196722968 tox21-ror-cho-viability-p1 set3 4 -0.29505818 8.02226369 14.73872447 -1.55807814 5.20090022 4.58163704 10.54362028 9.65790656 8.06245815 9.72014271 3.55575694 1.13592636 5.51948212 -0.30106919 18.57037819 1.3249999999E-9 2.9619999999E-9 6.6239999999E-9 1.481E-8 3.3119999999E-8 7.406E-8 1.656E-7 3.703E-7 8.28E-7 0.000001852 0.0000041399999999 0.0000092579999999 0.0000207 0.00004629 0.0001035 64-52-8 60977 144206386 A A 1-(2-Phenylethyl)-4-phenyl-4-acetoxypiperidine CC(=O)OC2(CCN(CCc1ccccc1)CC2)c3ccccc3 Tox21_112833 -NCGC00274057-01 196723380 tox21-ror-cho-viability-p1 set3 4 59.5571730664 29.2506082441 2.7493917559 32 0.7999999999 0.3766876445 0.294126242 -1.61794312 -1.87550687 0.96463563 -1.402805 13.23888314 0.73293846 1.7893862 1.85700226 10.89348153 4.06171823 11.28563439 6.21803178 1.81279026 4.47345667 23.93579516 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 154-41-6 6433169 170465627 Z Phenylpropanolamine hydrochloride Cl.O[C@H]([C@@H](C)N)c1ccccc1 Tox21_110431_1 -NCGC00015675-08 196723386 tox21-ror-cho-viability-p1 set3 4 172.2893405856 36.8330370039 -4.718682092 32.1143549119 0.2 0.342719591 0.3265296589 3.84042691 -15.63860831 4.14587563 -0.08904836 0 6.04234248 4.76032512 4.02417535 6.85228707 8.03279476 7.25383018 0.99408745 6.15063198 2.0339166 24.55198321 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00260158-01 196723790 tox21-ror-cho-viability-p1 set3 4 0.4890360363 -4.7585720559 4 -0.7585720559 4.9549173134 0.3900695416 0.2999000683 -2.13760105 2.15077462 3.59409667 4.51855374 2.47862506 9.86187557 4.78785618 6.18829283 -3.23650525 0.15616127 1.13258143 -4.38214338 0.35650026 0.6448555 5.94843242 1.187E-9 2.653E-9 5.9329999999E-9 1.327E-8 2.966E-8 6.633E-8 1.4829999999E-7 3.317E-7 7.416E-7 0.0000016579999999 0.000003708 0.000008291 0.00001854 0.00004146 0.0000927 555-30-6 38853 144209808 Ac A Methyldopa Oc1ccc(C[C@](C)(N)C(=O)O)cc1O Tox21_202610 -NCGC00260607-01 196723797 tox21-ror-cho-viability-p1 set3 1.4 0.016785492 13.7828269199 -11.7828269199 2 4.9549173134 0.7592924692 0.0168490468 -13.25912059 -10.7833418 -8.63202841 -13.9856891 -8.0075454 4.04208026 -0.46393783 2.9961435 -7.66936564 2.67440714 3.43897385 1.15741678 1.82910839 3.67283683 8.97739813 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49503 144210260 M M NTP Mix10 AR1 8-EQC Tox21_203062 -NCGC00260032-01 196723802 tox21-ror-cho-viability-p1 set3 -2.2 27.2593684373 -44.4381427749 -2.736880645 -47.1750234199 2.3331733767 0.8820297935 0.0007270302 -6.91759493 -9.07770155 -3.59636526 -4.75984514 -0.48701785 -5.6593148 2.10575329 -2.88117069 -1.45109659 -1.38067112 4.73621295 -5.00101494 -7.80857363 -17.45584999 -37.6325935 6.02E-10 1.346E-9 3.01E-9 6.731E-9 1.505E-8 3.365E-8 7.5249999999E-8 1.683E-7 3.763E-7 8.413E-7 0.0000018809999999 0.000004207 0.000009406 0.00002103 0.00004703 25316-40-9 443939 144209681 A A Adriamycin hydrochloride Cl.OCC(=O)[C@@]4(O)C[C@H](O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1)c5c(O)c3C(=O)c2c(OC)cccc2C(=O)c3c(O)c5C4 Tox21_202483 -NCGC00166219-02 196722978 tox21-ror-cho-viability-p1 set3 4 42.1632496022 23.434289912 2.565710088 26 0.7999999999 0.3995528013 0.2724972813 -2.43905106 -0.55563867 3.25764285 1.15825813 11.42783778 1.69744466 -4.11190826 0.13323463 12.02211004 7.42541511 5.06769529 4.63138732 6.0011964 6.887948 18.3526397 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79467-22-4 43961 170466781 A Bipenamol NCc2ccccc2Sc1ccccc1CO Tox21_112355_1 -NCGC00013289-09 196722572 tox21-ror-cho-viability-p1 set3 4 0.16785492 18.2634061479 -12.2634061479 6 3.0654483358 0.6643952031 0.0557504569 -1.73070596 0.1292514 -10.33699479 -19.06955895 -16.70690933 -21.88617179 -17.54389167 0 1.5396245 6.61347652 10.85872957 6.02233189 2.53479461 1.329983 9.44937371 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 511-45-5 4904 170465865 A Pridinol OC(CCN1CCCCC1)(c2ccccc2)c3ccccc3 Tox21_110022_1 -NCGC00021202-03 196722578 tox21-ror-cho-viability-p1 set3 4 0.16698165 -6.83515778 1.69666081 0.77273305 1.45839743 -0.04847751 -4.6064618 -4.28139604 5.01499667 -2.55025779 1.58265091 7.17155024 0.54685054 -1.6893412 9.76324897 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 76824-35-6 3325 170464877 I Famotidine N/C(N)=N/c1nc(CSCCC(\N)=N/S(N)(=O)=O)cs1 Tox21_110153_1 -NCGC00015438-07 196725840 tox21-ror-cho-viability-p1 set3 4 0.1059092946 8.7061872921 0.7938127079 9.5 4.9549173134 0.5585141079 0.14429278 2.6153941 3.36747774 6.69943149 -5.58848941 -2.01734167 -1.35535274 1.32044047 9.120601 7.70149047 11.31592964 15.12488943 2.54626741 12.51145835 6.62109111 0.06212656 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5053-08-7 68626 170466219 A Fenspiride hydrochloride Cl.O=C3NCC1(CCN(CC1)CCc2ccccc2)O3 Tox21_111230_1 -NCGC00167473-02 196725021 tox21-ror-cho-viability-p1 set3 4 -2.66931881 2.13022084 -2.93276497 1.81037105 -3.2978518 1.84388171 2.41205864 0.5393608 -3.02402572 5.47029081 2.30533567 1.68343671 0.29796195 3.96700018 2.06212261 5.899E-12 1.319E-11 2.949E-11 6.595E-11 1.475E-10 3.2969999999E-10 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 33490-33-4 20055082 170465401 F Capreomycin IB NCCC[C@H](N)CC(=O)NC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](N)CNC(=O)[C@@H](NC(=O)C(\NC1=O)=C\NC(N)=O)[C@@H]2CCNC(N)=N2 Tox21_112477_1 -NCGC00182994-01 196725425 tox21-ror-cho-viability-p1 set3 4 0.0012990017 8.2271915559 -9.2271915559 -1 4.9549173134 0.3844866911 0.2877894235 -5.07412162 -13.52265963 -3.44637303 -1.11848021 2.7156398 2.71737826 -0.99951586 1.35603562 -4.79963224 -8.70326601 -0.13310773 -4.4706126 -3.81741644 1.73902142 1.96131327 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 21216-78-4 210301 144206808 A A Anacolin [I-].C[N+]1(CCCCC1)CC2COC(O2)(c3ccccc3)c4ccccc4 Tox21_113257 -NCGC00015321-11 196725428 tox21-ror-cho-viability-p1 set3 4 0.0421632496 7 2 9 3.5117481694 0.5277998829 0.1710678361 1.53093285 3.78480964 2.68654556 1.64058959 0.58042925 2.27131349 11.99963631 13.10125176 4.4429069 4.45437463 8.92454232 5.04499555 9.04985499 15.50749154 4.07478871 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 34368-04-2 36811 170465050 A Dobutamine Oc2ccc(CCNC(C)CCc1ccc(O)cc1)cc2O Tox21_110126_1 -NCGC00271596-03 196725847 tox21-ror-cho-viability-p1 set3 1.2 0.0668242473 37.870228956 -11.370228956 26.5 0.3 0.7689160167 0.0143187299 -7.80852413 0.77095478 -0.52374522 0.67355856 4.84714767 3.2812103 10.90281915 10.87691998 17.27619434 6.54765551 12.63058693 25.67782201 10.47903769 19.31133771 28.28678321 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 107868-30-4 60198 170464628 A Exemestane O=C3C=C4C(=C)C[C@@H]1[C@H](CC[C@]2(C)C(=O)CC[C@@H]12)[C@@]4(C)C=C3 Tox21_111499_1 -NCGC00183012-01 196725852 tox21-ror-cho-viability-p1 set3 4 2.28660851 0.42008699 1.72537896 3.93651205 1.16502865 3.63858967 13.15098012 1.98652961 3.70358853 1.28162075 3.51224099 -1.34440132 2.70553903 -1.8361774 6.74279076 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1766-91-2 4726 144206843 A A Penflutizide FC(F)(F)c1cc2NC(NS(=O)(=O)c2cc1S(N)(=O)=O)CCCCC Tox21_113292 -NCGC00255368-01 196711151 tox21-ror-cho-viability-p1 set2 4 -2.84522963 -0.98161935 1.63975946 0.54265514 -2.01594988 0.78744332 -0.22306929 -2.2841122 -1.80478363 0.36421775 -3.80430464 -1.25254637 -3.90340895 -2.79639267 1.87042923 8.0809999999E-10 1.8069999999E-9 4.041E-9 9.035E-9 2.02E-8 4.517E-8 1.01E-7 2.2589999999E-7 5.0509999999E-7 0.000001129 0.000002525 0.000005647 0.00001263 0.00002823 0.00006313 51-48-9 5819 144212473 A A Levothyroxine O=C(O)[C@@H](N)Cc2cc(I)c(Oc1cc(I)c(O)c(I)c1)c(I)c2 Tox21_302156 -NCGC00255315-01 196710343 tox21-ror-cho-viability-p1 set2 4 6.80101406 0.31586608 0.52263165 0.02030697 1.87273618 1.71667726 0.58389472 0.82941809 1.19340434 0.86896794 1.20651459 -0.21024765 0.44510555 0.55883539 6.85714929 7.255E-10 1.622E-9 3.628E-9 8.1119999999E-9 1.814E-8 4.0559999999E-8 9.069E-8 2.028E-7 4.535E-7 0.000001014 0.0000022669999999 0.00000507 0.00001134 0.00002535 0.00005668 65-30-5 2735101 144212671 A Fns Nicotine sulfate CN2CCC[C@H]2c1cnccc1.O=S(=O)(O)O.CN2CCC[C@H]2c1cccnc1 Tox21_302354 -NCGC00255196-01 196710741 tox21-ror-cho-viability-p1 set2 4 -14.28654321 -5.55559524 -1.59938208 -10.77652841 -6.73624717 -8.32236811 -10.33597392 -13.78805014 -10.18257666 -9.43140179 -10.75670714 -11.5749179 -11.08325415 -8.69548492 -12.85616518 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33245-39-5 36392 144211650 A A Fluchloralin [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCCl)CCC)C(F)(F)F Tox21_301333 -NCGC00244580-01 196710753 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -16.134572216 0 -16.134572216 4.9549173134 0.5243531617 0.1577751042 -9.71110817 3.6523572 0.90921529 2.43356578 -1.4648364 -1.28650707 2.34596698 -1.31086621 1.89835596 0.33189645 3.47555803 0.40008726 -1.17521616 0 -13.02881018 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00015725-15 196704542 tox21-ror-cho-viability-p1 set1 4 6.20645498 -0.05085823 0.57700989 5.40284434 1.36813399 7.57368151 -1.93531235 4.90180394 1.56473618 1.62673249 2.93544309 4.61137477 -2.16069889 2.22980616 -3.58567869 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51803-78-2 4495 170465612 A Nimesulide [O-][N+](=O)c2cc(Oc1ccccc1)c(cc2)NS(C)(=O)=O Tox21_110207_1 -NCGC00357226-01 196704110 tox21-ror-cho-viability-p1 set1 4 68.5896218971 6.451065456 0.048934544 6.5 4.9549173134 0.3333633978 0.3424023677 -3.06285487 -0.3752211 -0.85640359 1.38785952 0.88577739 -0.25835783 -0.83810737 0.87289235 2.08833199 0.23245163 -5.37588788 2.81955787 0.23514739 0.51199529 5.27812386 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1121-78-4 14275 251919854 A 6-Methyl-3-hydroxypyridine Oc1cnc(C)cc1 Tox21_304013 -NCGC00164034-05 196704529 tox21-ror-cho-viability-p1 set1 -1.2 10.5909294584 -49.7989646474 0.3725984519 -49.4263661955 2.1876167061 0.957497107 0.0000034345 0.19359985 1.24024345 -1.06624791 0.78947405 -0.11760749 6.16316794 -1.16037681 5.32010363 -2.59688299 -0.36304795 -5.79240375 -8.48400104 -16.62153686 -44.8788054 -45.11084754 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 101-20-2 7547 170465481 A Triclocarban Clc2ccc(NC(=O)Nc1ccc(Cl)cc1)cc2Cl Tox21_112078_1 -NCGC00185990-04 196704530 tox21-ror-cho-viability-p1 set1 4 0.05467527 1.78396653 1.11336648 0.67361888 1.37087673 0.27887012 2.79269046 1.15281744 0.09153372 0.43004339 2.52777625 4.3336675 5.13102743 2.14033529 2.0234763 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 74103-07-4 6604122 170464659 A Ketorolac OCC(N)(CO)CO.O=C(O)[C@@H]1CCn2c(ccc12)C(=O)c3ccccc3 Tox21_110795_1 -NCGC00167536-03 196705352 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -9.904338144 2.5 -7.404338144 4.9549173134 0.7540490374 0.019079935 1.47268162 1.79871426 3.0367782 1.34107525 2.84188503 0.72115745 1.11218637 4.0650017 3.17341407 4.05697281 4.79646205 2.4036696 1.24552634 2.15059486 -5.75361512 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 115964-29-9 93858 170466053 A Tosufloxacin toluenesulfonic acid O=S(=O)(O)c1ccc(C)cc1.O=C(O)C2=CN(c1nc(c(F)cc1C2=O)N3CCC(N)C3)c4ccc(F)cc4F Tox21_112533_1 -NCGC00164576-04 196705355 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -25.0493629679 1.5 -23.5493629679 4.9549173134 0.9463014161 0.0000125526 1.96266569 0.81864287 1.95498076 -0.31945751 -0.30343598 0.41293549 2.11868106 0.49427501 0.305301 0.23632869 1.99637701 1.57793009 2.35947068 2.27394405 -19.62446914 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 192725-17-0 92727 170464773 A Lopinavir CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)COc3c(C)cccc3C)N4CCCNC4=O Tox21_112204_1 -NCGC00167521-02 196705357 tox21-ror-cho-viability-p1 set1 4 5.66343604 -0.33812445 1.19651568 1.25998813 0.32111301 0.25948408 -0.68387752 0.30605841 0.45795294 1.0020388 1.30721282 2.28508908 -0.63533806 -0.09946017 3.17613903 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 113712-98-4 636411 170465931 A Tenatoprazole Cc3c(OC)c(C)cnc3CS(=O)c1nc2nc(ccc2n1)OC Tox21_112518_1 -NCGC00164632-02 196705363 tox21-ror-cho-viability-p1 set1 4 -3.477797 0.30222588 -0.77444979 -0.0886099 -1.33410163 0.23103658 -1.39317464 -0.40455887 0.87073867 -0.67505093 0.4549775 4.68556541 -1.41203709 -0.31898576 -4.48367135 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5630-53-5 444008 170465874 F Tibolone O=C1CC=2C[C@@H](C)[C@H]3[C@@H]4CC[C@@](O)(C#C)[C@@]4(C)CC[C@@H]3C=2CC1 Tox21_112250_1 -NCGC00160376-02 196705369 tox21-ror-cho-viability-p1 set1 4 -2.07476291 2.88287999 -0.92033078 -2.7013294 -2.72388314 0.25395902 -7.93759591 1.47463516 -2.17376686 2.98156283 2.53071362 -3.03367461 2.39795825 -1.680942 5.69742343 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2424-71-7 71518 170466064 A Metocinium iodide [I-].OC(C(=O)OCC[N+](C)(C)C)(c1ccccc1)c2ccccc2 Tox21_111772_1 -NCGC00017323-08 196723039 tox21-ror-cho-viability-p1 set3 -2.4 0.2984929481 -30.892825044 14 -16.892825044 0.3 0.7778496503 0.0165017705 10.63359753 12.78625583 5.40337872 3.29010972 9.53101913 -2.04731701 -0.04959413 9.46703844 -3.59607097 -4.36796571 -5.47288232 -9.51062834 -10.74402087 -9.24177989 10.53264345 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64-75-5 54704426 170464838 I Tetracycline hydrochloride Cl.NC(=O)C1=C(O)[C@@H](N(C)C)[C@@H]2C[C@H]4C(=C(O)[C@]2(O)C1=O)C(=O)c3c(O)cccc3[C@@]4(C)O Tox21_110355_1 -NCGC00015202-08 196722614 tox21-ror-cho-viability-p1 set3 4 29.8492948118 21.31481094 1.18518906 22.5 3.9899729863 0.6121818429 0.0885025104 0.99256636 -0.66683167 -4.01234245 2.55831962 0.82829864 0.42411654 0.30485535 1.87868639 -2.67064714 7.21081092 10.25794069 2.38999139 -3.81625332 5.82892756 19.2274742 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52214-84-3 2763 170466356 A Ciprofibrate ClC2(Cl)CC2c1ccc(OC(C)(C)C(=O)O)cc1 Tox21_112121_1 -NCGC00091902-08 196722618 tox21-ror-cho-viability-p1 set3 4 5.64788778 0.53197261 6.82619629 8.61292583 21.89756453 3.85962405 4.87102799 3.96657523 10.95987988 10.87308614 11.19121087 4.27695658 8.67377305 11.15504106 4.88354235 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00091585-05 196723036 tox21-ror-cho-viability-p1 set3 4 0.118832183 -12.121738012 6 -6.121738012 0.7999999999 0.7355551946 0.0309070141 7.7417302 -0.17897383 7.2650103 6.18013756 6.68385684 3.09084145 -3.53999645 1.92847025 -4.74808189 -0.59031787 -4.08882805 -8.01811501 -5.80440662 -5.3344512 8.3644085 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6197-30-4 22571 170464719 A Octocrylene CCC(CCCC)COC(=O)C(\C#N)=C(\c1ccccc1)c2ccccc2 Tox21_111153_1 -NCGC00253654-01 196723454 tox21-ror-cho-viability-p1 set3 4 6.6824247267 11.34751242 -1.84751242 9.5 4.9549173134 0.6407235965 0.0699302738 0.42798975 -0.28204847 -2.26096096 -1.63279084 2.02212061 0.03907048 -0.20383406 -1.1178875 -3.02083918 0.14050022 -10.70626035 -5.08906286 10.52906698 10.38199037 6.30470405 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13255-50-0 83270 170466692 A A N-isopropyl-4-formylbenzamide O=C(NC(C)C)c1ccc(C=O)cc1 Tox21_113780 -NCGC00182031-01 196723458 tox21-ror-cho-viability-p1 set3 4 6.6824247267 -8.737795876 3 -5.737795876 4.9549173134 0.4789723389 0.2157123197 -5.19816323 -0.88002598 6.24904111 4.95352838 4.83537875 1.23238715 5.45862742 3.79104972 4.04183985 4.46986836 2.81288079 3.20255308 -5.12498815 -4.87594934 2.59551697 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 40054-69-1 3307 144206484 A A Etizolam Clc1ccccc1C4=NCc2nnc(C)n2c3sc(cc34)CC Tox21_112931 -NCGC00016957-05 196723462 tox21-ror-cho-viability-p1 set3 4 29.8492948118 15.8867876039 -0.8867876039 15 0.6999999999 0.541690301 0.1434155002 0.61726046 -4.10379072 0.1103899 -0.55835281 -0.33447999 -5.73898967 -0.36077218 0.71139103 4.73953519 0.22811091 -2.08675908 3.46675759 6.15085586 1.61231101 10.85898431 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 89796-99-6 71771 170465979 A Aceclofenac Clc2cccc(Cl)c2Nc1ccccc1CC(=O)OCC(=O)O Tox21_110710_1 -NCGC00160676-02 196723467 tox21-ror-cho-viability-p1 set3 4 0.11154968 -3.15989261 -0.591747 -0.49202256 -7.87701732 -3.29697521 -21.81688065 -21.55012202 -5.03064454 -4.34269557 0.22588365 -6.7800309 -11.02980234 -5.49349772 0.05698167 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3563-01-7 71128 170466081 A Aprofene CC(C(=O)OCCN(CC)CC)(c1ccccc1)c2ccccc2 Tox21_111979_1 -NCGC00260655-01 196723874 tox21-ror-cho-viability-p1 set3 4 0.026603212 -4.869634048 3 -1.869634048 4.9549173134 0.5331375344 0.1514009371 -1.61496948 3.80980367 4.4656143 1.34186982 7.85561913 -2.1592921 -3.2996161 -2.12384648 -1.30414484 -1.36041145 -2.44365846 1.2815768 -1.96707116 -4.47469504 -2.56143622 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49551 144210308 M M NTP Mix21 AR2 2-EQP Tox21_203110 -NCGC00259652-01 196721827 tox21-ror-cho-viability-p1 set3 4 27.4171332585 10.913388608 -5.413388608 5.5 2.09374246 0.7193875951 0.0304526941 -6.74771769 -3.67033594 -1.91628267 -4.71149137 -5.05448052 -7.9360881 -7.3629814 -8.67782384 -1.57369689 -5.03261998 -5.74276005 -4.34197724 -2.31000786 2.41538345 4.61577104 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.96E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 23386-52-9 23692768 144209301 A A Dicyclohexyl sodium sulfosuccinate [Na+].O=C(OC1CCCCC1)C(CC(=O)OC2CCCCC2)S([O-])(=O)=O Tox21_202103 -NCGC00258810-01 196721439 tox21-ror-cho-viability-p1 set3 4 3.8453135251 12.3935282719 -7.3935282719 5 3.5117481694 0.7196168587 0.0299627993 -5.72861266 -8.53202465 -8.16907165 1.74863448 -4.71700718 -8.18883074 -9.71367767 -11.56288431 -8.89619521 -12.41127356 -0.76977925 7.00819091 1.31249054 5.27559452 6.33725607 1.177E-9 2.6319999999E-9 5.884E-9 1.316E-8 2.942E-8 6.579E-8 1.471E-7 3.29E-7 7.356E-7 0.000001645 0.0000036779999999 0.000008224 0.00001839 0.000041119999999 0.000091939999999 62-23-7 6108 144208456 A A 4-Nitrobenzoic acid O=[N+]([O-])c1ccc(cc1)C(=O)O Tox21_201258 -NCGC00247735-02 196698096 tox21-ror-cho-viability-p1 set1 4 -0.10470683 -0.70381407 0.31526262 0.73147573 0.19113728 3.862803 -0.39834138 -0.5184222 1.28479347 0.61253181 0.55849202 -0.03719388 -0.36679353 -0.5439253 0.02476666 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 230615-23-3 50878597 170465218 A Varenicline tartrate Cl.c1c4c(cc2nccnc12)C3CC4CNC3 Tox21_112901_1 -NCGC00183856-01 196698076 tox21-ror-cho-viability-p1 set1 4 -1.09494178 -1.80189294 -1.86157374 -1.88367953 -0.85329883 -1.78410384 0.69936926 0.81837658 1.03961274 -2.79069461 -2.40782731 0.47934977 -2.45675409 -1.73800948 -6.42188918 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2020-25-9 4783 144206805 A A Phenyl 11-iodo-10-undecynoate O=C(Oc1ccccc1)CCCCCCCCC#CI Tox21_113254 -NCGC00091080-03 196698077 tox21-ror-cho-viability-p1 set1 4 -5.24272335 1.78835622 -1.00863335 0.36714464 -4.72613467 -0.63021403 -3.65288632 -4.6537473 -4.56352619 -4.1743864 -3.80079318 -2.15472456 -1.69285432 -7.0235391 -7.09726769 1.121E-9 2.506E-9 5.6039999999E-9 1.2529999999E-8 2.802E-8 6.265E-8 1.401E-7 3.133E-7 7.005E-7 0.000001566 0.0000035019999999 0.000007831 0.00001751 0.00003916 0.00008756 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00182070-03 196698088 tox21-ror-cho-viability-p1 set1 4 16.7854920005 8.7678943279 -1.7678943279 7 3.0654483358 0.7159921962 0.0322212353 -3.33693973 0.71517293 0.35945205 -1.75027153 -4.38991194 -0.07497802 -1.18742391 -0.71340578 -4.01895777 -0.56121478 -0.7972362 -2.26056889 -0.88726002 3.78813118 6.64080842 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 107793-72-6 3743 170465160 A Ioxilan OCC(O)CNC(=O)c1c(I)c(N(CC(O)CO)C(C)=O)c(I)c(c1I)C(=O)NCCO Tox21_113127_1 -NCGC00018258-10 196698488 tox21-ror-cho-viability-p1 set1 -3 29.8492948118 -43.8595033599 -2.21489872 -46.0744020799 4.9549173134 0.9569946044 0.0000036738 -2.72091138 -2.06520332 0.16236595 -0.83668794 -1.81101116 -3.78939087 -3.48199391 -1.69993446 0.4203188 -6.92858193 0.16911384 -2.8204607 -6.44696067 -7.74814786 -41.7286684 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 24169-02-6 68589 170465422 A Econazole nitrate [O-][N+](=O)O.Clc3ccc(C(OCc1ccc(Cl)cc1)Cn2ccnc2)c(Cl)c3 Tox21_110852_1 -NCGC00182986-01 196698498 tox21-ror-cho-viability-p1 set1 4 -1.00585379 0.93096883 -6.55786542 -1.11863816 1.01041207 -0.7176804 1.84473743 -0.09643853 -3.38262632 -2.00164397 1.01920848 -3.32705783 1.13958857 -3.17170017 0.0740248 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13402-08-9 1999 144206817 A A Acetylpheneturide CCC(C(=O)NC(=O)NC(C)=O)c1ccccc1 Tox21_113266 -NCGC00254784-01 196698910 tox21-ror-cho-viability-p1 set1 4 0.72561404 1.3940108 0.69659988 0.25222112 0.00004239 1.51423857 2.46699918 2.5294663 -1.5265893 0.64072891 -0.58962143 0.55375202 -1.21829732 2.25680212 2.58940228 1.482E-9 3.315E-9 7.412E-9 1.657E-8 3.706E-8 8.286E-8 1.8529999999E-7 4.143E-7 9.2649999999E-7 0.000002072 0.000004632 0.000010359999999 0.00002316 0.00005179 0.0001158 111-29-5 8105 144211197 A A 1,5-Pentanediol OCCCCCO Tox21_300880 -NCGC00255075-01 196698928 tox21-ror-cho-viability-p1 set1 -1.1 4.8557733675 -82.1446103067 -2.440209107 -84.5848194137 1.78848746 0.985999224 6E-9 -4.22224879 -0.85795295 -0.34310385 -3.62920234 -1.6776615 -8.31381908 -0.21642472 -3.87377869 -3.84604528 -12.18525178 -36.87521611 -54.82363441 -87.02141915 -82.70355925 -79.53448334 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79622-59-6 91731 144211494 A A Fluazinam [O-][N+](=O)c2cc(c(Cl)c(c2Nc1ncc(cc1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F Tox21_301177 -NCGC00254656-01 196720576 tox21-ror-cho-viability-p1 set3 4 0.0086349218 21.952759768 -16.952759768 5 0.2 0.5012198193 0.1780264894 -10.70711967 -12.46063314 -0.24829541 -0.86583371 -7.15934437 -1.26176325 -2.57086744 -3.98530202 -1.71196885 -0.63242745 -0.24374133 -3.89556262 -2.2175754 3.41020595 6.07959661 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10217-34-2 154915 144211068 F Triethoxy[2-(7-oxabicyclo[4.1.0]hept-3-yl)ethyl]silane CCO[Si](CCC1CC2OC2CC1)(OCC)OCC Tox21_300751 -NCGC00090962-05 196720158 tox21-ror-cho-viability-p1 set3 4 -0.00208855 0.05325954 2.12861655 2.2305036 5.77079175 10.391732 2.2776866 -0.1212694 11.52542294 15.05036172 1.14815205 8.92511434 3.26530161 2.47872691 -4.58095005 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00168342-02 196720159 tox21-ror-cho-viability-p1 set3 1.4 0.0096294552 18.955997612 -20.455997612 -1.5 0.4 0.7132033512 0.032644607 -13.2348239 -17.87999801 -8.29592764 -8.60969049 -10.960532 -10.59075293 -3.03226168 -3.7030716 -5.85709166 -6.90846067 1.94819426 -2.85444753 -3.18956875 -3.50379872 -1.3292787 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00167493-04 196725926 tox21-ror-cho-viability-p1 set3 1.4 0.004216325 18.0604934839 -15.0604934839 3 2.2526478767 0.8811932248 0.0012749286 -14.63374457 -13.0891352 -12.54258256 1.54414465 -0.4159293 1.5542644 3.35785158 6.56976093 3.86448525 0.60028719 -0.5458366 6.63667382 3.90064235 0.86017448 -23.45153115 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 89226-75-5 150762 170465961 A Manidipine Cl.Cl.[O-][N+](=O)c1cccc(c1)C2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OCCN3CCN(CC3)C(c4ccccc4)c5ccccc5 Tox21_112494_1 -NCGC00183005-01 196725521 tox21-ror-cho-viability-p1 set3 1.4 4.2163249602 19.708286524 1.791713476 21.5 3.1319983358 0.8558799034 0.001876709 -0.39506204 1.7655447 -0.33884445 4.07993739 2.69052227 -3.09023877 7.53085105 4.55242537 -1.41878914 5.74147645 -1.96642378 13.08435687 18.6296342 24.9073328 19.32776511 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 263248-42-6 5282215 144206802 A A Zanapezil fumerate O=C(O)/C=C/C(=O)O.O=C(CCC2CCN(Cc1ccccc1)CC2)c3ccc4CCCCNc4c3 Tox21_113251 -NCGC00160681-03 196725522 tox21-ror-cho-viability-p1 set3 4 1.43874271 0.76503982 0.35629021 -0.86045366 -4.31342394 -0.61315922 -6.16353306 -3.55004457 6.49527824 -3.68430178 -4.38481525 -0.22690829 -0.03790538 -6.43661579 -5.5765657 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-12-2 7174 170466186 A Risocaine Nc1ccc(cc1)C(=O)OCCC Tox21_111984_1 -NCGC00160408-03 196725923 tox21-ror-cho-viability-p1 set3 4 0 0 8.96275988 9.47470803 -14.82445427 -19.83834434 -16.0080142 -14.96588046 -21.07380698 -15.15104971 9.59896684 -19.99306959 9.87414138 4.66967076 -11.53176787 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68-90-6 6237 170465852 A Benziodarone Ic1cc(cc(I)c1O)C(=O)c2c3ccccc3oc2CC Tox21_111793_1 -NCGC00167429-04 196725927 tox21-ror-cho-viability-p1 set3 4 -0.16490657 0 5.83211503 4.60536078 -12.02112032 5.59584616 5.47911402 -11.25493582 4.86004879 -16.1525161 5.80632577 -15.96777629 5.98598316 3.57756368 6.68312447 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 85622-93-1 5394 170464968 A Temozolomide NC(=O)c1ncn2C(=O)N(C)N=Nc12 Tox21_112433_1 -NCGC00274060-01 196725931 tox21-ror-cho-viability-p1 set3 -2.4 26.6032120037 -30.2101492919 -1 -31.2101492919 1.0999999999 0.7444554504 0.0212209493 -5.15876009 0.13531667 7.65563879 -0.69121517 -1.6109822 -7.31388831 -1.59172086 -0.87220243 -0.22445043 -1.32551908 -0.2785227 -7.36872035 -9.50450397 -10.22045474 -22.67512441 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 171228-49-2 147912 170464963 A Posaconazole C[C@H](O)[C@H](CC)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OCC6C[C@@](Cn5cncn5)(OC6)c7ccc(F)cc7F Tox21_113620_1 -NCGC00259856-01 196705813 tox21-ror-cho-viability-p1 set1 -1.1 8.7140134434 -74.7310733952 -0.64101411 -75.3720875052 1.1340999999 0.9859893211 6E-9 -6.47450974 3.84339341 0.38944716 1.7112976 1.43847764 -2.95724578 -2.76334699 -5.10024168 -4.25840926 -4.79063591 -24.00204042 -38.28534208 -52.47494431 -62.49835156 -72.56674769 1.189E-9 2.6589999999E-9 5.945E-9 1.3289999999E-8 2.9719999999E-8 6.646E-8 1.486E-7 3.323E-7 7.4309999999E-7 0.000001662 0.0000037149999999 0.0000083079999999 0.000018579999999 0.00004154 0.000092879999999 7778-50-9 24502 144209505 Potassium dichromate [K+].[K+].[O-][Cr](=O)(=O)O[Cr]([O-])(=O)=O Tox21_202307 -NCGC00256406-01 196707026 tox21-ror-cho-viability-p1 set1 -1.1 13.6854287769 -66.5696186247 -8.422872518 -74.9924911427 1.9673362061 0.8620341091 0.0015266173 -2.26511199 -10.34220234 -9.51840421 -3.69137877 -15.38126411 -7.05571609 -9.27107885 -10.70291287 -15.63758276 -11.44386718 -11.92992472 -3.19699505 -69.13680646 -69.31249329 -63.00929148 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-49-8 8805 144213271 A D 4'-(Chloroacetyl)acetanilide O=C(C)Nc1ccc(cc1)C(=O)CCl Tox21_302954 -NCGC00257061-01 196707437 tox21-ror-cho-viability-p1 set1 4 1.23846613 0.43757614 -0.60056726 0.1185457 4.0431787 2.33005838 3.17908419 1.13276461 3.49195163 2.86679144 0.27495025 0.4056178 0.65070842 1.51795479 4.01784482 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 464-49-3 159055 144213369 A A D-Camphor CC2(C)[C@H]1CC(=O)[C@]2(C)CC1 Tox21_303052 -NCGC00257425-01 196707449 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -9.143824112 1 -8.143824112 4.9549173134 0.5506811014 0.1389985695 1.79128889 -0.10185931 2.73047879 -0.14132463 0.70370175 1.11202167 1.72656582 -0.33374253 4.47382879 1.57695379 -0.18546078 -1.15719334 -0.90514057 2.93803405 -5.95318676 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17696-61-6 86607 144213885 A A sec-Butylparaben Oc1ccc(cc1)C(=O)OC(C)CC Tox21_303580 -NCGC00258995-01 196705801 tox21-ror-cho-viability-p1 set1 4 -0.30906637 4.51870825 -0.96545403 0.26286754 1.70312678 2.49633561 1.36313537 -2.17021787 0.59586213 13.11395538 0.1843953 -0.16938555 1.94536977 -0.29324908 0.93733953 1.1699999999E-9 2.6159999999E-9 5.85E-9 1.3079999999E-8 2.925E-8 6.5409999999E-8 1.463E-7 3.27E-7 7.3129999999E-7 0.000001635 0.000003656 0.000008176 0.00001828 0.00004088 0.00009141 486-66-8 5281708 144208642 A A Daidzein Oc1ccc(cc1)C3=COc2cc(O)ccc2C3=O Tox21_201444 -NCGC00259602-01 196705802 tox21-ror-cho-viability-p1 set1 4 1.38171051 12.3925294 4.15399709 3.12386409 2.82362164 2.63485931 0.88994731 0.00370944 1.38659951 2.88692884 -7.86320167 -0.63444544 2.44664557 3.45720551 0.16275627 1.177E-9 2.6319999999E-9 5.884E-9 1.316E-8 2.942E-8 6.579E-8 1.471E-7 3.29E-7 7.356E-7 0.000001645 0.0000036779999999 0.000008224 0.00001839 0.000041119999999 0.000091939999999 103-11-7 7636 144209251 AC F 2-Ethylhexyl acrylate O=C(C=C)OCC(CCCC)CC Tox21_202053 -NCGC00259815-01 196705809 tox21-ror-cho-viability-p1 set1 4 77.0370913869 -24.9431195279 -2.5 -27.4431195279 3.1319983358 0.5228278032 0.1585502363 0.50541266 -0.50418467 -12.31140514 -7.17869019 -1.20668869 1.05497706 -0.77254433 2.13100949 0.70603938 -9.17449651 -0.22529116 -2.68078437 -5.62432407 -4.65067919 -19.53593294 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.0000036909999999 0.000008252 0.000018449999999 0.000041259999999 0.00009226 1083-27-8 14127 144209464 A A Hexylparaben Oc1ccc(cc1)C(=O)OCCCCCC Tox21_202266 -NCGC00259100-01 196706213 tox21-ror-cho-viability-p1 set1 -3 61.3171122755 -43.7040483096 -1.5 -45.2040483096 2.8472712143 0.8811413481 0.0007543013 -0.2639386 -2.05508986 -1.03003388 0.43271731 -4.47820844 -0.40549911 3.33957674 1.46870584 -1.89766243 0 -2.2695217 -8.96262476 -8.47456374 -9.25677008 -35.38185478 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004132 0.0000924 35554-44-0 37175 144208749 A A Imazalil Clc2ccc(C(OCC=C)Cn1ccnc1)c(Cl)c2 Tox21_201551 -NCGC00259915-01 196706636 tox21-ror-cho-viability-p1 set1 4 0.00141046 -12.1486924 14 1.8513076 0.7999999999 0.5022527316 0.1967150145 10.02225925 4.59298227 1.17083399 4.96800114 3.82252515 0.69058046 3.46684562 2.64147933 -1.790577 5.10716465 0.9662431 1.98698628 0.99086536 1.96704768 3.89999907 1.466E-9 3.2789999999E-9 7.331E-9 1.6389999999E-8 3.666E-8 8.196E-8 1.8329999999E-7 4.098E-7 9.1639999999E-7 0.0000020489999999 0.0000045819999999 0.00001025 0.00002291 0.000051229999999 0.00011449999999 1852-16-0 15817 144209564 A A N-(Butoxymethyl)acrylamide CCCCOCNC(=O)C=C Tox21_202366 -NCGC00259205-01 196706637 tox21-ror-cho-viability-p1 set1 -2.1 15.2928625827 -94.5774071274 -2.033644281 -96.6110514084 1.21 0.9552034653 0.0000045897 -7.58778812 -7.58332104 -1.18755284 -6.85794857 -0.66876571 0.00543503 0.11134216 0.88176558 -0.82330234 -8.80171763 -12.32081285 -31.84289463 -66.82093669 -59.62280936 -89.45467723 1.1759999999E-9 2.63E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.576E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.00000822 0.000018379999999 0.0000411 0.0000919 118-75-2 8371 144208854 Chloranil ClC=1C(=O)C(Cl)=C(Cl)C(=O)C=1Cl Tox21_201656 -NCGC00259906-01 196706650 tox21-ror-cho-viability-p1 set1 4 4.27089628 -5.50630631 0.27718869 7.1096374 -0.61118138 -0.08044439 2.91867656 3.91386973 -9.55553763 7.36680174 -4.26209374 1.45934163 0.19587379 0.20417745 -0.49931665 1.202E-9 2.688E-9 6.01E-9 1.344E-8 3.005E-8 6.7199999999E-8 1.503E-7 3.36E-7 7.5129999999E-7 0.0000016799999999 0.0000037559999999 0.0000084 0.00001878 0.000042 0.000093909999999 484-20-8 2355 144209555 A A 5-Methoxypsoralen COc1c3ccoc3cc2OC(=O)C=Cc12 Tox21_202357 -NCGC00257314-01 196707047 tox21-ror-cho-viability-p1 set1 4 -13.71390643 -11.33297465 -11.51950218 -10.90146974 -11.24101131 -16.27417712 -21.29387281 -16.30160529 -21.61896834 -19.35558807 -20.72355051 -16.70736459 -5.26545375 -15.44461848 -14.63101728 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27090-63-7 94377 144213745 F Fns N,N,N',N'-Tetrabutyl-1,6-hexanediamine CCCCN(CCCC)CCCCCCN(CCCC)CCCC Tox21_303434 -NCGC00174007-04 196723491 tox21-ror-cho-viability-p1 set3 4 0.3349145963 -11.743252856 -0.620216624 -12.36346948 1.331 0.9205515372 0.0002009641 -0.57561217 -0.70018397 -0.10018052 -0.18692945 -0.15197047 -1.34183953 -2.95701731 -3.97660281 -4.84016647 -12.53855167 -8.3420888 -12.13647587 -14.4695579 -11.0550775 8.73849949 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33401-94-4 6434144 170465676 A Pyrantel tartrate O=C(O)[C@H](O)[C@@H](O)C(=O)O.CN2CCCN=C2/C=C/c1cccs1 Tox21_113347_1 -NCGC00254253-01 196699391 tox21-ror-cho-viability-p1 set1 -2.1 48.5577336745 -82.1181417076 -3.36066388 -85.4788055876 1.9673362061 0.9747721422 1.807E-7 -3.83150579 -11.40699689 0.81966487 -0.44140854 -4.80111339 -2.57547804 -1.82524371 -7.32905913 -2.62257772 -1.94695314 -2.31294896 -5.48449663 -13.12522597 -37.34154153 -67.78697393 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 203942-49-8 9810771 144210770 A A UK-337312 [O-]S(C)(=O)=O.FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N(C)C[C@@H](CC[N+]23CCC(CC2)(CC3)C4CCCCC4)c5ccc(Cl)c(Cl)c5 Tox21_300452 -NCGC00253978-01 196699393 tox21-ror-cho-viability-p1 set1 4 5.4482673282 4.3465484359 -0.3465484359 4 1.8579476909 0.3125921166 0.3594964538 0.08433574 2.39866263 1.19074732 0.0081559 1.50020292 -4.45545703 0.56974913 -4.40616643 1.51744181 0.8958943 0.74903236 1.90232749 6.73335048 -0.75300449 6.4482304 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-09-3 7276 144210430 AC Bc Styrene oxide c1ccccc1C2CO2 Tox21_300110 -NCGC00357087-01 196723913 tox21-ror-cho-viability-p1 set3 4 0.0485577337 10.417240144 -6.917240144 3.5 0.8999999999 0.5377127511 0.1460430766 -7.89233363 -3.11961418 -6.32622817 -9.09770012 3.88479997 -6.61567582 3.36782021 3.07893837 2.50498747 -2.77563736 8.50546277 1.62536267 2.19941768 5.50848007 3.21275432 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 611-59-6 4687 251919916 A 1,7-Dimethylxanthine O=C1c2n(C)cnc2NC(=O)N1C Tox21_303803 -NCGC00260647-01 196723894 tox21-ror-cho-viability-p1 set3 4 0.0595571731 4.675902828 -1.175902828 3.5 4.9549173134 0.3510161825 0.3204175432 0.02356251 2.80035516 -2.60040342 0.99511783 -0.67366848 -8.89658569 3.73221694 6.0117641 3.14144556 4.95158949 9.10973549 -0.86733276 1.27291521 1.15860708 4.48042101 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49543 144210300 M M NTP Mix88 ER AR1 18-EQP Tox21_203102 -NCGC00260284-01 196723896 tox21-ror-cho-viability-p1 set3 4 0.3448868489 8.193306604 -1.693306604 6.5 1.21 0.6695475618 0.0538764508 -3.52829006 0.670831 -2.99513654 0.58401129 -4.74442217 0.69279383 -3.54305814 1.96658339 -2.82872387 -2.69035395 2.6102952 2.37590435 3.85239038 5.56923647 6.26009123 5.492E-11 1.228E-10 2.746E-10 6.1399999999E-10 1.373E-9 3.0699999999E-9 6.8649999999E-9 1.535E-8 3.432E-8 7.675E-8 1.716E-7 3.837E-7 8.581E-7 0.0000019189999999 0.00000429 60-00-4 6049 144209934 Fns Ethylenediaminetetraacetic acid O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O Tox21_202736 -NCGC00015100-15 196697745 tox21-ror-cho-viability-p1 set1 4 0.56621926 0.51412751 1.61557669 -0.3285913 1.3588207 0.26237888 1.13488349 3.50703088 0.54768291 -0.851066 2.08911522 -1.08492644 -0.44334028 0.57640661 0.63170591 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 645-05-6 2123 170464714 A Altretamine CN(C)c1nc(nc(n1)N(C)C)N(C)C Tox21_110085_1 -NCGC00159455-09 196697748 tox21-ror-cho-viability-p1 set1 -2.4 23.7101376556 -33.092619628 -1.5 -34.592619628 2.4063783767 0.956829492 0.0000037631 -4.30480606 -1.21517701 0.73067421 0.91777655 -0.2365705 -3.17279558 -3.21632858 -2.21630143 -1.9624617 -3.63891066 -0.14734327 -0.17342792 -4.25797418 -14.79680692 -29.24384969 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 184475-35-2 123631 170464828 A Gefitinib Fc1ccc(cc1Cl)Nc2ncnc3cc(OC)c(cc23)OCCCN4CCOCC4 Tox21_111683_1 -NCGC00022391-05 196697752 tox21-ror-cho-viability-p1 set1 -2.4 7.4978038628 -22.3610229 -4.258494856 -26.619517756 2.2526478767 0.7756619214 0.0127386624 -9.17095507 -14.14683906 -6.65837256 -3.78889467 -3.29601015 -7.29360486 -7.44586329 -4.72785514 -0.21541238 -0.69954524 -0.33293283 -6.43674922 -21.04097276 -22.03403226 -27.59959813 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2169-64-4 16574 170466075 A 6-Azaribine CC(=O)OC[C@H]2O[C@@H](N1N=CC(=O)NC1=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O Tox21_110878_1 -NCGC00160435-03 196697753 tox21-ror-cho-viability-p1 set1 4 26.6032120037 -20.591642772 -2.2081196 -22.799762372 0.7999999999 0.7466309447 0.0207019405 -2.1269821 -1.22693601 -4.78945214 -0.173433 -4.12086407 -3.49022153 -4.04733092 -5.72713938 -3.51344389 -2.83893789 -5.73646717 -0.27591923 -8.10376874 -11.31080406 -17.33313531 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71653-63-9 68909 170466262 A Riodipine CC=1NC(C)=C(C(C=1C(=O)OC)c2ccccc2OC(F)F)C(=O)OC Tox21_111809_1 -NCGC00159393-03 196697754 tox21-ror-cho-viability-p1 set1 4 -0.98443432 1.35466905 0.79567648 0.94006571 -1.70909676 -2.55237215 0.70681606 1.27172842 -0.75784277 -3.47385611 -3.06335575 -0.79702103 -0.88547797 0.2412215 -3.02345239 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 537-55-3 68310 170465742 A N-Acetyl-L-tyrosine Oc1ccc(C[C@H](NC(C)=O)C(=O)O)cc1 Tox21_111630_1 -NCGC00179573-03 196697756 tox21-ror-cho-viability-p1 set1 4 29.8492948118 -10.4107003479 1 -9.4107003479 4.0949729863 0.6883337083 0.0446851996 1.63677117 3.21820277 3.56825881 2.15242859 1.25674546 -2.55781268 -0.02542009 2.25723669 1.9966831 0.33279122 0.82747125 1.07736839 -1.3169716 -0.93243287 -7.84225029 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33005-95-7 5468 170465577 C Tiaprofenic acid O=C(c1ccc(s1)C(C)C(=O)O)c2ccccc2 Tox21_110627_1 -NCGC00256225-01 196700570 tox21-ror-cho-viability-p1 set1 4 0.52385202 -0.83580404 -1.97477249 -0.35639677 0.68600989 2.51642417 -1.39221566 1.26462847 2.68975581 -0.42941629 1.10812149 1.6268821 -0.97079806 1.86345187 1.923764 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2449-05-0 75557 144211927 F D Dibenzyl diazene-1,2-dicarboxylate O=C(OCc1ccccc1)/N=N/C(=O)OCc2ccccc2 Tox21_301610 -NCGC00256021-01 196700152 tox21-ror-cho-viability-p1 set1 4 12.1971512362 9.2511717439 -4.2511717439 5 0.9999999999 0.5929486247 0.1184901324 -1.23072531 -3.86093926 -3.09658371 -3.04363559 -4.51825088 -8.54264312 -6.37058734 -3.93150471 -4.09568254 -1.40416153 -2.08616997 0.21087722 -1.44007903 4.41546532 -1.59555912 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-72-6 66826 144212591 A A Nitarsone O=[N+]([O-])c1ccc(cc1)[As](O)(O)=O Tox21_302274 -NCGC00256081-01 196700177 tox21-ror-cho-viability-p1 set1 4 -7.44887479 -1.83296778 2.82382924 -2.00300424 1.78226418 -7.91934718 1.42329408 -8.51301477 -4.24454473 -3.66298186 -4.64901363 1.43591411 -6.69657834 -5.061476 -12.14126697 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3386-87-6 76921 144211791 A A 3,3'-(Ethylenedioxy)dipropiononitrile N#CCCOCCOCCC#N Tox21_301474 -NCGC00256049-01 196700571 tox21-ror-cho-viability-p1 set1 4 38.5707788719 -10.965606484 -1 -11.965606484 1.8851180601 0.4527494075 0.2232755269 2.43806895 2.20706625 2.35631668 -1.9161691 -5.41745449 -5.59747664 -3.77799822 1.26483563 -5.47905901 2.07647566 -1.86309035 -1.17576414 -3.41851023 -5.8776035 -10.80467207 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5437-98-9 21576 144211798 A A N-(4-Methoxyphenyl)-3-oxobutanamide COc1ccc(NC(=O)CC(C)=O)cc1 Tox21_301481 -NCGC00255934-01 196700577 tox21-ror-cho-viability-p1 set1 4 68.5896218971 17.301447016 -0.301447016 17 3.2474983358 0.8337813715 0.0036516403 -0.27237257 -2.33453918 0.43521925 -2.10031741 0.27908881 -0.00684059 -2.01812289 -1.1695066 -0.80998131 -0.3221621 2.26623684 2.95623954 1.25945166 2.42651354 12.72645253 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2591-86-8 17429 144212424 A A N-Formylpiperidine O=CN1CCCCC1 Tox21_302107 -NCGC00096056-02 196722592 tox21-ror-cho-viability-p1 set3 4 33.4914596268 29.840119504 0.159880496 30 4.9549173134 0.6402281089 0.0699479154 -1.42221611 6.51286217 -4.59926236 -0.04592971 5.2376769 8.39397622 4.57782674 4.89705761 -2.11003121 -2.41771606 -4.95419425 -6.53343292 -6.4832046 0.7240003 25.37406956 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6402-23-9 165457 170465798 A Ethacridine lactate hydrate O.O=C(O)C(C)O.CCOc1ccc2nc3cc(N)ccc3c(N)c2c1 Tox21_111957_1 -NCGC00090686-07 196722177 tox21-ror-cho-viability-p1 set3 4 -5.86431967 -3.03900338 -6.12024154 -2.14025679 -5.1337668 -2.33524541 -7.36852758 -4.75295526 -5.76868468 -1.24391335 -3.8712052 -8.34814477 -3.17769586 -0.89435408 1.64594502 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00090885-03 196722198 tox21-ror-cho-viability-p1 set3 4 24.3365162115 10.332196288 -4.832196288 5.5 4.9549173134 0.4459548287 0.2286004352 -1.29257435 -4.69126053 -1.56417631 5.50637336 -7.58764201 -6.51911215 -9.02683024 -7.8771026 -7.60938184 -6.57597747 -1.91569856 -7.61507629 -5.0653094 8.3070436 2.87086435 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00259257-01 196722201 tox21-ror-cho-viability-p1 set3 -2.1 21.8002774318 -95.2278869393 -4.540946823 -99.7688337623 4.0949729863 0.9648781388 0.0000034021 -8.30630987 -3.81876734 1.91203823 8.53137962 -6.20189805 -8.17799349 -8.0698729 -6.871055 -7.17044566 -3.33184309 -7.25857185 -4.92021144 -39.43334511 -92.37854978 13.73132496 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.626E-8 1.482E-7 3.3129999999E-7 7.408E-7 0.000001656 0.000003704 0.000008282 0.00001852 0.000041409999999 0.000092599999999 156-10-5 9074 144208906 C A 4-Nitrosodiphenylamine O=Nc2ccc(Nc1ccccc1)cc2 Tox21_201708 -NCGC00094616-07 196723023 tox21-ror-cho-viability-p1 set3 4 6.6824247267 -27.4155288519 9.5 -17.9155288519 4.9549173134 0.4371524235 0.2526666483 -1.77052672 22.43527563 0.54300871 -4.05113105 16.38857081 15.09794847 16.41751347 20.19147786 -12.19743055 13.36397178 13.83259305 15.62008329 -17.01294071 -15.16568718 -3.52254607 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77-36-1 2732 170464745 A Chlorthalidone NS(=O)(=O)c1cc(ccc1Cl)C3(O)NC(=O)c2ccccc23 Tox21_110369_1 -NCGC00242597-01 196723024 tox21-ror-cho-viability-p1 set3 4 33.4914596268 24.8347418601 1.1652581399 26 4.5044702849 0.6108287756 0.0893478721 -1.41551229 9.11863928 4.81569659 1.42958448 6.06364521 5.57985766 2.36423306 -1.41227399 -1.59704057 -4.76452547 -6.52895155 1.06960752 0.39575721 3.66191587 21.15096463 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 361442-04-8 11243969 144206461 F F Saxagliptin O=C([C@@H](N)C13CC2CC(C1)CC(O)(C2)C3)N5[C@H](C#N)C[C@@H]4C[C@@H]45 Tox21_112908 -NCGC00344519-01 196723435 tox21-ror-cho-viability-p1 set3 4 -4.36311775 -1.52793555 -0.5085339 0.11972363 -2.43823491 -2.09769899 0.02574766 -2.15354541 -2.29786753 4.55913762 -5.41949261 -4.10601457 2.9912919 -1.2079315 4.24680786 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 593-85-1 11650 170465438 F Guanidine carbonate NC(=N)N.N=C(N)N.O=C(O)O Tox21_113187_1 -NCGC00256750-01 196727181 tox21-ror-cho-viability-p1 set3 4 -2.74975093 -3.26948653 -3.52446308 1.41142247 0.14071493 1.78261769 4.03576942 2.24798278 0.3516978 1.50478431 0.73093023 -0.37691764 -0.87499215 2.70382374 -3.8752559 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-64-7 31353 144212985 A F Linalyl benzoate C/C(C)=C\CCC(C)(OC(=O)c1ccccc1)C=C Tox21_302668 -NCGC00257393-01 196726765 tox21-ror-cho-viability-p1 set3 4 3.39486342 0.03821564 -3.37573702 -5.79196473 -2.8401206 -6.21202117 -5.82138374 -4.97441933 -5.08843942 -5.80305951 -2.795079 3.47042204 -0.49056184 -2.09383447 2.56141865 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 549-18-8 11065 144213917 A A Amitriptyline hydrochloride Cl.CN(C)CC\C=C1\c3ccccc3CCc2ccccc12 Tox21_303612 -NCGC00256753-01 196727188 tox21-ror-cho-viability-p1 set3 4 -2.24312186 -5.17923846 0.09491808 -1.89385515 -1.83778106 -2.4250831 -3.70303251 4.28961975 2.83758006 2.56539486 3.66461018 0.42998715 -1.51969583 2.73003557 1.91098587 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-35-3 6532 144213038 A Ac Linalyl isobutyrate O=C(OC(C)(CC\C=C(\C)C)C=C)C(C)C Tox21_302721 -NCGC00256418-01 196727592 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -97.2859545538 -0.337501092 -97.6234556458 4.9549173134 0.8326079802 0.003682018 -1.62464908 -0.47388061 -0.59238052 4.485751 0.66250144 5.29541397 8.11830009 3.1750164 4.73219696 4.36481508 3.08755792 -13.74382513 -27.36125179 0.95559601 -80.25671083 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-56-9 2771871 144213174 F F (2Z)-2,3-Dichloro-4-oxobut-2-enoic acid O=CC(\Cl)=C(\Cl)C(=O)O Tox21_302857 -NCGC00091602-02 196709516 tox21-ror-cho-viability-p1 set2 4 -0.73960468 -5.74999595 -1.58706369 -9.17798217 -5.49139383 -7.25240761 -0.61317643 0.67505657 -0.60142523 -0.20780587 -1.6027712 -5.74229044 -1.42009966 -6.44785485 -7.4656639 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00091351-03 196709114 tox21-ror-cho-viability-p1 set2 4 -0.0574123 0.70145224 -0.70966908 -1.81253141 -0.34336391 -1.09941484 -0.36394829 -1.30073002 0.28737607 -1.37533726 -9.11919033 -1.35931694 -1.55246107 -0.0393307 -0.69161855 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00259208-01 196709119 tox21-ror-cho-viability-p1 set2 4 3.17588786 0.2752775 1.04022113 1.39026916 4.94243053 2.53541977 1.17711842 5.55171614 0.56602045 0.55687184 3.02897182 0.11484051 3.98224199 3.29030703 0.98577998 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.552E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.0000036629999999 0.00000819 0.00001831 0.00004095 0.000091569999999 100-21-0 7489 144208857 A A Terephthalic acid OC(=O)c1ccc(cc1)C(=O)O Tox21_201659 -NCGC00259452-01 196709120 tox21-ror-cho-viability-p1 set2 4 0.03312877 1.01970333 -6.4782878 -3.13342883 -4.21664668 -0.93065199 1.14190467 -1.10664573 -3.22619254 -2.94964831 -3.69484735 -0.42980339 -3.39338024 -3.02290225 1.42941088 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.311E-7 7.405E-7 0.000001656 0.000003702 0.000008279 0.00001851 0.00004139 0.00009256 142-90-5 8906 144209101 A Fc Dodecyl 2-methylacrylate C=C(C)C(=O)OCCCCCCCCCCCC Tox21_201903 -NCGC00257002-01 196707472 tox21-ror-cho-viability-p1 set1 4 0.0086349218 -11.2582017759 -3.843071396 -15.1012731719 0.9999999999 0.4767560279 0.2171397769 -6.58411322 -8.5080375 -1.53589283 -15.67726056 -14.29026623 -9.85114361 -13.16121713 -14.15897869 -20.08439431 -18.8869073 -15.86702173 -12.11476253 -11.70157135 -14.36714787 -9.18715465 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1241-94-7 14716 144213630 A A 2-Ethylhexyl diphenyl phosphate CCC(CCCC)COP(=O)(Oc1ccccc1)Oc2ccccc2 Tox21_303313 -NCGC00256374-01 196707458 tox21-ror-cho-viability-p1 set1 4 0.0108707225 -12.2699140119 -2 -14.2699140119 4.9549173134 0.4337440108 0.2566715192 2.81239873 -14.59425304 -0.15034485 -10.7554559 -15.97050394 -19.39159501 -10.74992759 -12.44827966 -14.98131354 -15.5436265 -17.38852046 -15.27359103 -7.16147752 -12.9058414 -1.9218991 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 59-66-5 1986 144213090 A A Acetazolamide O=S(N)(=O)c1nnc(NC(C)=O)s1 Tox21_302773 -NCGC00257514-01 196707465 tox21-ror-cho-viability-p1 set1 4 68.5896218971 10.613915184 -0.613915184 10 4.5044702849 0.3518943404 0.320275764 6.89720513 1.81993173 -3.94551541 -0.19421689 -5.09492932 -3.70847115 0.14848992 0.50283376 -2.96034693 -3.26339283 0.38216499 1.01133055 -2.59832176 0.49911002 7.67280734 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-79-7 8858 144213911 Fns 4-Methylpent-3-en-2-one C\C(C)=C/C(C)=O Tox21_303606 -NCGC00256973-01 196707467 tox21-ror-cho-viability-p1 set1 4 0.0021689943 -21.6152583879 1.4533019759 -20.161956412 0.7999999999 0.6660691128 0.0660016329 -3.78891502 -13.71059726 -15.93996186 -13.94337989 -13.54788848 -19.31923267 -23.46829701 -16.51517925 -23.25250434 -22.39063453 -21.13651323 -21.59826698 -15.11563269 -18.93787594 -5.57517672 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 156-60-5 638186 144213447 Fns (E)-1,2-Dichloroethylene Cl\C=C\Cl Tox21_303130 -NCGC00257489-01 196707477 tox21-ror-cho-viability-p1 set1 4 0.99448819 2.99268368 2.26188459 1.59975613 2.94292883 1.08585796 -1.56199723 1.48123834 -2.41720112 0.8608132 -0.0189339 -0.09674184 -0.01800608 4.45748261 3.80367975 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 5329-14-6 5987 144213791 F F Sulfamic acid NS(=O)(=O)O Tox21_303482 -NCGC00256571-01 196707482 tox21-ror-cho-viability-p1 set1 4 2.4336516212 4.3388550601 1.1611449399 5.5 4.9549173134 0.4586319568 0.2189305316 3.46091999 1.40963543 -0.38429527 3.07875211 0.52526018 0.95190404 -0.22041166 3.34822649 -0.96360357 -1.11571255 6.99674116 4.32278243 6.99877901 0.43359689 9.28154564 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 115-02-6 5284344 144213209 Fns Azaserine OC(=O)[C@@H](N)COC(=O)/C=[N+]=[N-] Tox21_302892 -NCGC00256720-01 196707881 tox21-ror-cho-viability-p1 set1 4 -12.7506366 -2.34387886 -9.1277048 -13.19614864 -4.90961781 -17.0221423 -16.02087807 -12.31520245 -13.97618899 -9.589226 -20.68903857 -9.58857122 -13.91090805 -13.18387193 0.17908585 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1111-78-0 517232 144212826 Ammonium carbamate [NH4+].[O-]C(N)=O Tox21_302509 -NCGC00257354-01 196707886 tox21-ror-cho-viability-p1 set1 4 2.69768017 4.55102462 3.63781595 -6.15319278 6.37523311 -13.83709114 -0.4592363 -0.40695073 -10.15899547 4.59128143 -5.26384896 5.69408668 -3.88400524 -7.31232741 3.41224853 7.196E-10 1.609E-9 3.5979999999E-9 8.046E-9 1.7989999999E-8 4.023E-8 8.995E-8 2.011E-7 4.4979999999E-7 0.000001006 0.000002249 0.000005029 0.000011239999999 0.00002514 0.000056219999999 25360-10-5 520196 144213837 F Fns tert-Nonanethiol CC(C)(S)CCCCCC Tox21_303530 -NCGC00256546-01 196707892 tox21-ror-cho-viability-p1 set1 4 30.5132723993 -9.668715576 1 -8.668715576 4.9549173134 0.8954402422 0.0004146373 2.25682447 0.2328628 1.97147272 1.81669545 -0.8017495 2.17006741 1.99296096 0.24175785 1.54575162 1.17096333 -0.11999505 0.19617231 1.98806172 -7.41157674 -8.05726298 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004107 0.00009184 2164-09-2 16560 144213070 A A Chloranocryl Clc1ccc(NC(=O)C(=C)C)cc1Cl Tox21_302753 -NCGC00094532-06 196704716 tox21-ror-cho-viability-p1 set1 4 -1.74150264 -0.27055248 -0.84660152 -0.68941884 -1.03321013 0.05799322 -0.24165421 0.80792904 4.05415175 -0.96787201 -0.83539924 -0.66595349 -1.66329219 -0.81811005 -2.31911376 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00259749-01 196705928 tox21-ror-cho-viability-p1 set1 4 -10.5149423 -6.66793271 -12.41504647 -10.22840463 -1.84359426 -4.58876933 1.26400588 -6.40223895 -5.67306972 -9.57543663 -11.13809629 -9.34196569 -1.83797124 -12.86672156 2.82307111 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 1917-15-3 74710 144209398 A A 5-Methyl-2-furancarboxylic acid O=C(O)c1ccc(C)o1 Tox21_202200 -NCGC00259487-01 196705929 tox21-ror-cho-viability-p1 set1 4 -6.73396878 -14.43700026 -9.48469096 -10.96197007 -7.71100668 -4.63188432 -6.00008257 -4.57485457 0.90074725 -3.77102716 1.30676292 -10.35743651 -0.43929447 -9.65822957 -18.20870311 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.945E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.000003681 0.00000823 0.000018399999999 0.00004115 0.000092019999999 2409-55-4 17004 144209136 A A 2-tert-Butyl-4-methylphenol CC(C)(C)c1cc(C)ccc1O Tox21_201938 -NCGC00259156-01 196706353 tox21-ror-cho-viability-p1 set1 4 0.5498170782 10.1963564679 -11.1963564679 -1 4.9549173134 0.6792819926 0.0481162235 -12.24768956 -6.18266656 -15.16363039 -10.47303252 -2.80289061 -12.25778674 -14.60513574 -14.32214707 -0.87978687 0 -2.31588285 -3.74822131 -1.96668231 -1.43740402 1.20860334 1.189E-9 2.658E-9 5.9439999999E-9 1.3289999999E-8 2.9719999999E-8 6.6449999999E-8 1.486E-7 3.323E-7 7.4299999999E-7 0.0000016609999999 0.0000037149999999 0.000008307 0.00001857 0.00004153 0.00009287 52-68-6 5853 144208805 A A Trichlorfon OC(C(Cl)(Cl)Cl)P(=O)(OC)OC Tox21_201607 -NCGC00165999-03 196704705 tox21-ror-cho-viability-p1 set1 4 -1.27411634 0.09826208 2.48381345 -0.27008621 -1.86115208 0.07978812 -4.10831231 2.27236851 1.95353299 -0.27554875 5.38607727 -0.81858078 -1.73236091 2.13843257 3.47667355 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 100-88-9 7533 170466502 A Cyclamic acid OS(=O)(=O)NC1CCCCC1 Tox21_112285_1 -NCGC00179366-03 196704710 tox21-ror-cho-viability-p1 set1 4 -0.68617974 2.17852052 0.17734507 -2.69967076 -2.16387439 -2.27765583 -4.06012848 -0.90252 1.01057271 1.35559905 0.24308587 -2.20253504 -1.54137635 -0.18075254 -1.23245858 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 73231-34-2 114811 170465648 A Florfenicol O=S(C)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CF)NC(=O)C(Cl)Cl Tox21_110683_1 -NCGC00247726-01 196704711 tox21-ror-cho-viability-p1 set1 4 1.97364582 -4.646928 2.80210514 -0.37989385 -5.15736482 -5.48171678 -4.7616518 1.37597139 -3.65595944 2.13655159 -0.56836973 -0.47667073 -3.79674634 1.47044365 -0.92110917 1.894E-9 4.2349999999E-9 9.4699999999E-9 2.118E-8 4.735E-8 1.0589999999E-7 2.368E-7 5.294E-7 0.0000011839999999 0.000002647 0.0000059189999999 0.00001324 0.00002959 0.00006618 0.000148 68677-26-9 60196335 144206445 B B N,N-Dimethyltryptamine fumarate O=C(O)/C=C/C(=O)O.CN(C)CCc2cnc1ccccc12 Tox21_112892 -NCGC00181756-01 196704722 tox21-ror-cho-viability-p1 set1 4 37.5780357627 -12.213581752 1 -11.213581752 4.9549173134 0.7003933954 0.0387569139 -0.34877999 2.66437821 -0.48126293 -0.10139887 0.06190153 2.04250052 4.07050664 2.21921674 1.93823881 0.38192709 -2.25465732 0.40349842 0.05471961 2.6497528 -9.34465146 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 11042-64-1 5282164 144206489 F D gamma-Oryzanol Oc1ccc(cc1OC)/C=C/C(=O)O[C@H]4CC[C@]63C[C@@]56CC[C@]2(C)[C@H](CC[C@@]2(C)[C@@H]5CC[C@H]3C4(C)C)[C@H](C)CC\C=C(/C)C Tox21_112482_1 -NCGC00163903-03 196704723 tox21-ror-cho-viability-p1 set1 4 81.5991373871 12.7840556159 -0.7840556159 12 4.9549173134 0.4588248576 0.2181786697 4.54396356 -2.3044474 -0.25239293 -0.26101674 -1.15315129 0.02710489 4.61048876 -2.3388024 -1.67587719 -2.97619236 -5.65337968 -0.23171418 -0.14583414 -0.46664514 8.62199301 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00164619-02 196704725 tox21-ror-cho-viability-p1 set1 4 -3.32552303 0.6157375 -1.43239176 -3.88533319 1.64585305 -0.75613279 0.59476542 -0.08217816 1.84132372 1.45732581 -3.52031985 -3.37496169 -0.80601561 -0.82184121 -0.51891473 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 120511-73-1 2187 170464923 A Anastrozole N#CC(C)(C)c1cc(cc(c1)C(C)(C)C#N)Cn2cncn2 Tox21_112238_1 -NCGC00253759-01 196705118 tox21-ror-cho-viability-p1 set1 4 -0.28371743 3.96043326 1.4362463 0.83958884 1.7934251 2.95843237 1.70308162 0.94239126 1.88221444 -4.7113757 -0.41716221 4.46289197 0.79924698 2.95085193 3.26876545 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 787-93-9 13086 170466362 A F Ameltolide O=C(Nc1c(C)cccc1C)c2ccc(N)cc2 Tox21_113872 -NCGC00256201-01 196728184 tox21-ror-cho-viability-p1 set3 4 -3.69774722 -2.24784953 -0.37356432 4.81395435 -1.06578502 -0.65559447 5.59342891 -0.49549909 6.29838101 5.03425547 2.68777538 1.95849217 0.16030498 -0.38295363 -0.77208256 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 827-95-2 70014 144212184 A A Sodium 3-nitrobenzoate [Na+].O=[N+]([O-])c1cc(ccc1)C([O-])=O Tox21_301867 -NCGC00257191-01 196727763 tox21-ror-cho-viability-p1 set3 4 2.4336516212 6.696417932 -2.696417932 4 2.3331733767 0.4261555494 0.2480537141 1.59419355 -1.72792929 -6.21593015 -5.32729129 -5.52373722 1.98117064 -6.41368161 1.39504273 -1.00493527 -0.99719532 1.16091628 7.38696125 7.38780386 -0.00073248 1.20655703 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 693-23-2 12736 144213625 A A Dodecanedioic acid O=C(O)CCCCCCCCCCC(=O)O Tox21_303308 -NCGC00255570-01 196728161 tox21-ror-cho-viability-p1 set3 4 30.6378586933 -22.858276344 4 -18.858276344 2.6384283767 0.556543724 0.1299443525 0.07269596 17.27261352 16.31633732 2.80213194 0.31050218 0.89699576 -0.32086959 8.44616547 -2.39248851 -0.95835387 -0.53328456 4.75847478 -1.35321597 -11.69381372 -17.79856362 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33228-45-4 36382 144212329 A A 4-Hexylaniline Nc1ccc(CCCCCC)cc1 Tox21_302012 -NCGC00256017-01 196728172 tox21-ror-cho-viability-p1 set3 4 1.61339672 1.08572451 4.75702787 0.86814172 -0.05339233 3.80455724 4.31468833 0.12463104 3.45113471 -1.33281655 3.35928673 -0.48177761 0.69240187 -2.99517866 3.51303493 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 54-86-4 23687810 144211538 A Sodium nicotinate [Na+].[O-]C(=O)c1cccnc1 Tox21_301221 -NCGC00255929-01 196728599 tox21-ror-cho-viability-p1 set3 4 30.6378586933 -15.2914832479 1.5 -13.7914832479 4.9549173134 0.6354251092 0.0731287117 -0.23327149 2.77446351 3.53083507 1.83522658 -5.6777754 5.52791067 1.13605374 -3.99650732 7.49360971 -0.97602757 -1.75417403 6.77290062 2.40420329 -11.32661211 -13.57623604 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58769-20-3 16722125 144212539 A B Kadethrin O=C(OCc2cc(Cc1ccccc1)oc2)[C@H]4[C@@H](\C=C3/CCSC3=O)C4(C)C Tox21_302222 -NCGC00256188-01 196728992 tox21-ror-cho-viability-p1 set3 4 3.14985816 -2.42411323 10.08283174 -1.38200985 -2.21122032 8.73926776 1.07171849 11.53521122 -1.7371458 6.81301456 8.0832096 3.22915801 6.7607816 4.28975726 4.92905672 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 764-99-8 12998 144211581 F Bc {2-[2-(Ethenyloxy)ethoxy]ethoxy}ethene C=COCCOCCOC=C Tox21_301264 -NCGC00255397-01 196729015 tox21-ror-cho-viability-p1 set3 4 14.79370446 1.15047007 1.35953366 0.83353328 6.84946312 12.99473583 11.79233321 3.71533117 -1.41768799 -3.50882017 -1.22928415 20.88006431 -4.2618793 3.87326328 -8.5662408 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 324-93-6 9462 144212592 A A 4'-Fluoro-4-aminodiphenyl Nc1ccc(cc1)c2ccc(F)cc2 Tox21_302275 -NCGC00258429-01 196729417 tox21-ror-cho-viability-p1 set3 4 1.69620144 -0.82612923 2.8024426 1.48527311 -0.96244502 -1.16820434 2.19827189 2.30405793 -3.12841841 -2.61224282 0.16203996 -1.89456672 1.53383869 -1.09908211 0.06257898 1.1919999999E-9 2.6649999999E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.662E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004164 0.000093099999999 121-86-8 8491 144208073 A Ac 2-Chloro-1-methyl-4-nitrobenzene Cc1ccc(cc1Cl)[N+]([O-])=O Tox21_200875 -NCGC00257919-01 196729418 tox21-ror-cho-viability-p1 set3 4 0.05736471 -1.04565917 -0.08154272 0.08270746 5.19815483 3.61065149 0.92241581 1.83822721 2.03335108 5.49454435 0.9600892 2.08934304 4.9171643 1.99613337 0.67757178 1.166E-9 2.608E-9 5.831E-9 1.304E-8 2.9149999999E-8 6.5189999999E-8 1.458E-7 3.26E-7 7.288E-7 0.0000016299999999 0.0000036439999999 0.000008149 0.00001822 0.00004074 0.00009111 79-46-9 398 144207563 AC C 2-Nitropropane CC(C)[N+]([O-])=O Tox21_200365 -NCGC00258529-01 196729419 tox21-ror-cho-viability-p1 set3 4 0.3930370176 -5.3525956439 1.5 -3.8525956439 2.9522712143 0.4606555161 0.215764072 3.35258072 1.00885532 0.18877793 4.11501211 0.68662275 -1.14602842 3.10137165 -1.74686464 -0.28440934 -10.71049637 0 0 -3.35800923 -7.07551001 -5.1346069 1.0889999999E-9 2.435E-9 5.445E-9 1.2169999999E-8 2.722E-8 6.087E-8 1.3609999999E-7 3.044E-7 6.806E-7 0.000001522 0.000003403 0.0000076089999999 0.00001701 0.000038049999999 0.000085069999999 107-19-7 7859 144208174 A Ac Propargyl alcohol C#CCO Tox21_200976 -NCGC00257677-01 196729423 tox21-ror-cho-viability-p1 set3 4 1.85695132 0.7615995 4.08195121 3.66321045 -2.83780775 -0.29982873 0.00692645 2.22801577 3.02235 3.18191599 4.23503657 1.03742399 0.24292453 1.97061806 0.86669012 1.148E-9 2.567E-9 5.74E-9 1.2829999999E-8 2.87E-8 6.417E-8 1.4349999999E-7 3.209E-7 7.175E-7 0.000001604 0.000003587 0.000008021 0.00001794 0.00004011 0.00008968 594-61-6 11671 144207321 A A 2-Hydroxyisobutyric acid O=C(O)C(C)(C)O Tox21_200123 -NCGC00257540-01 196728672 tox21-ror-cho-viability-p1 set3 4 2.49015 -4.75175226 0.63992956 -5.12121789 -11.88490981 -12.66478975 -14.47712414 -13.46220474 8.04303924 -8.9045583 -3.45434035 15.84412301 3.03689865 -6.82882683 4.6645875 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-96-6 4 144212021 A Ac 1-Amino-2-propanol CC(O)CN Tox21_301704 -NCGC00256169-01 196728248 tox21-ror-cho-viability-p1 set3 4 1.01039984 0.62194854 3.04456971 -0.32622547 0.37506009 2.26776771 5.12114676 2.02363352 5.46432441 2.2820347 2.67672173 1.00198769 -0.79028875 1.50351758 -1.15611504 8.7889999999E-10 1.965E-9 4.394E-9 9.826E-9 2.1969999999E-8 4.913E-8 1.099E-7 2.457E-7 5.493E-7 0.000001228 0.0000027469999999 0.000006141 0.000013729999999 0.00003071 0.00006866 26115-70-8 117734 144211601 F Fns 1,3,5-Tris[3-(trimethoxysilyl)propyl]-1,3,5-triazinane-2,4,6-trione CO[Si](OC)(OC)CCCN1C(=O)N(CCC[Si](OC)(OC)OC)C(=O)N(CCC[Si](OC)(OC)OC)C1=O Tox21_301284 -NCGC00257858-01 196715297 tox21-ror-cho-viability-p1 set2 4 27.3337914917 -16.6457013279 -2 -18.6457013279 4.9549173134 0.7130314335 0.0407952662 -1.68974805 -2.48043057 -9.2338295 -0.83371461 -1.63306422 -2.95079849 -3.88973042 -0.06493809 1.08862451 1.71557799 -3.02769272 -3.13991201 -2.45703273 -18.03808444 -3.16601137 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.476E-7 3.302E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.000092279999999 21829-25-4 4485 144207502 B B Nifedipine CC=1NC(C)=C(C(C=1C(=O)OC)c2ccccc2[N+]([O-])=O)C(=O)OC Tox21_200304 -NCGC00258698-01 196715302 tox21-ror-cho-viability-p1 set2 4 -0.126282 0.42668773 -0.26862175 0.50689632 -0.60827091 0.60702144 -0.03242275 -0.76982484 0.34364387 0.06046292 -0.46013254 -0.09740695 0.29538047 -1.16076406 0.02201554 1.1699999999E-9 2.617E-9 5.852E-9 1.3089999999E-8 2.926E-8 6.543E-8 1.463E-7 3.2719999999E-7 7.315E-7 0.0000016359999999 0.000003658 0.0000081789999999 0.00001829 0.000040889999999 0.000091439999999 612-60-2 11927 144208344 A A 7-Methylquinoline Cc1cc2ncccc2cc1 Tox21_201146 -NCGC00257651-01 196715303 tox21-ror-cho-viability-p1 set2 4 -1.02193932 -1.79713343 -3.65288645 -2.89530995 1.39070174 -1.47004657 -0.16758761 -0.98061531 -1.14354553 -2.40490648 0.01830419 0.99479997 -3.33257599 1.84414275 0.17491537 1.177E-9 2.6319999999E-9 5.8849999999E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.0000036779999999 0.000008225 0.00001839 0.00004113 0.00009196 6881-94-3 81313 144207295 A A 2-(2-Propoxyethoxy)ethanol CCCOCCOCCO Tox21_200097 -NCGC00090704-03 196715308 tox21-ror-cho-viability-p1 set2 4 15.3553036427 9.99173736 -0.49173736 9.5 1.9673362061 0.7595876112 0.0169840588 -1.33940456 -0.60234469 -4.5764478 -0.49536893 2.02761673 2.40956578 -0.97013492 -1.49841196 -1.03368653 -1.05129039 0.58686636 -0.07538289 7.6351486 5.43981345 10.4258487 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00254423-01 196714082 tox21-ror-cho-viability-p1 set2 -2.4 27.3060203028 -28.890331884 0.5 -28.390331884 1.3987170999 0.9817558735 2.8E-8 0.48866618 0.96107475 2.70026852 0.61171067 -0.40789917 0.84223746 -0.50341365 -0.5811245 -0.39333972 -1.13845308 -0.06321094 -3.63229068 -10.9536516 -16.56293788 -25.32527657 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25956-17-6 5360805 144210711 A A Allura Red C.I.16035 [Na+].[Na+].Cc3cc(/N=N/c1c2ccc(cc2ccc1O)S([O-])(=O)=O)c(cc3S(=O)([O-])=O)OC Tox21_300393 -NCGC00179382-03 196712835 tox21-ror-cho-viability-p1 set2 4 4.92816418 4.56765093 -2.41988788 1.21249848 0.2436046 2.56395504 0.20912254 -1.95296699 -0.01354601 -4.28392575 1.5010634 -2.30441001 0.48497062 0.3869298 -1.96698012 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 532-76-3 102426 170465088 A Hexylcaine hydrochloride Cl.CC(CNC1CCCCC1)OC(=O)c2ccccc2 Tox21_110456_1 -NCGC00015821-10 196713240 tox21-ror-cho-viability-p1 set2 4 -1.17606164 -0.81109689 1.47935773 1.56959201 1.70540429 1.37046033 1.98880553 1.54311078 0.35228294 -1.23185504 -0.64228657 0.63455444 -0.03591306 -0.54598672 0.90320259 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7491-74-9 4843 170465901 F Piracetam O=C1CCCN1CC(=O)N Tox21_110229_1 -NCGC00015917-06 196713247 tox21-ror-cho-viability-p1 set2 4 -0.78963417 -1.34668404 -1.1869834 -5.53901794 -5.70346594 -2.62331528 -5.58349872 -5.28483529 -0.72503012 -6.68161555 1.83396531 -3.80248284 0.21603784 0.57863946 0.89058255 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 1197334-04-5 11957707 170466892 A SB 206553 hydrochloride Cl.Cn4ccc3cc1c(CCN1C(=O)Nc2cccnc2)cc34 Tox21_111278_1 -NCGC00254466-01 196714495 tox21-ror-cho-viability-p1 set2 -2.1 28.6162996833 -76.9969753902 0.4056717679 -76.5913036223 2.0437424601 0.9718273077 3.394E-7 0.75709239 0.39544031 -1.40574522 -0.07036075 -0.2090969 -0.06845585 0.07523177 1.16067438 0.67021222 0.1550645 0.23931987 -3.04716983 -31.13979313 -45.55666603 -79.78260794 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 26530-20-1 33528 144210883 A A Octhilinone O=C1C=CSN1CCCCCCCC Tox21_300566 -NCGC00254516-01 196714501 tox21-ror-cho-viability-p1 set2 4 5.4482673282 9.397671608 0.602328392 10 4.9549173134 0.7381090502 0.0234121866 0.99447326 0.54676401 -0.0292448 0.32376813 -0.3703073 1.2227038 3.06048351 1.06923486 -1.16472634 0.4439727 0.67798373 10.87205798 13.9669024 2.79767018 11.61818947 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1646-75-9 15436 144210726 FNS Aldicarb oxime O\N=C/C(C)(C)SC Tox21_300408 -NCGC00254758-01 196714903 tox21-ror-cho-viability-p1 set2 -2.1 61.130564862 -101.2180199349 0.3412219389 -100.876797996 3.9899729863 0.9871988547 3.5E-9 1.16147873 0.68761222 2.21819674 0.11028964 0.18121428 1.47083943 1.78100934 1.24664701 0.28944486 0.51850955 2.52378228 -7.87588997 2.10248799 -17.88067773 -84.06399833 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59669-26-0 9601227 144211172 A A Thiodicarb CN(SN(C)C(=O)O\N=C(/C)SC)C(=O)O\N=C(/C)SC Tox21_300855 -NCGC00254274-01 196714906 tox21-ror-cho-viability-p1 set2 4 24.3365162115 11.5962567519 -10.0962567519 1.5 4.9549173134 0.3313906629 0.3376969883 -9.57997576 -7.34467257 -5.58887847 -12.01036803 -5.01367733 -9.06976381 -11.09987098 -13.10569695 -16.58623993 -0.88895451 -5.82234722 -23.83021396 -6.96441867 0.59780871 1.01449691 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55290-64-7 41385 144210741 A Ac Dimethipin O=S1(=O)CCS(=O)(=O)C(C)=C1C Tox21_300423 -NCGC00255149-01 196700165 tox21-ror-cho-viability-p1 set1 4 4.53357539 6.6719944 0.33821836 -1.49435584 1.46040891 -1.04877871 -1.59104813 3.2658905 -3.06858397 -13.02673218 -0.86459212 1.0084554 -4.41895333 5.72510744 6.08110733 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6965-71-5 97971 144212199 A A alpha-(2,5-Dichlorophenoxy)propionic acid Clc1ccc(Cl)cc1OC(C)C(=O)O Tox21_301882 -NCGC00254766-01 196699755 tox21-ror-cho-viability-p1 set1 -1.1 0.8634921799 -89.8988262118 1.605784778 -88.2930414338 1.5385888099 0.9812088404 0.019420364 0.43258674 0.18361429 -0.93231443 1.57716879 0.84354046 -0.71790091 4.00339799 -12.36335932 -44.05576274 -60.7240607 -8.30239171 -71.78392896 -94.93875423 -93.16678852 -88.58796686 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1897-45-6 15910 144211179 Chlorothalonil Clc1c(C#N)c(Cl)c(C#N)c(Cl)c1Cl Tox21_300862 -NCGC00091483-03 196699758 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -40.060704252 2 -38.060704252 4.9549173134 0.9750819383 1.691E-7 2.77872045 3.04731265 2.62143249 2.83554613 1.67234336 0.01526508 4.03277529 0.41729363 1.18656335 3.82343665 2.98663446 0.04486577 1.28125916 0.73367553 -30.88392021 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00256062-01 196700161 tox21-ror-cho-viability-p1 set1 4 0.2433651621 -4.764864784 2.5 -2.264864784 2.5884283767 0.5558591072 0.1328135036 0.47222882 6.40166114 1.74679578 1.12566875 1.76436016 5.61943007 -0.06014601 0.07599654 -3.06519455 -1.79990913 -5.63738732 0.15406834 -3.21132581 -0.18459735 -1.23618757 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2315-68-6 16846 144211922 A Ac Propyl benzoate O=C(OCCC)c1ccccc1 Tox21_301605 -NCGC00255118-01 196700166 tox21-ror-cho-viability-p1 set1 4 1.9331181962 8.830953136 -5.330953136 3.5 0.8999999999 0.7575229349 0.0175679688 -6.03516054 -3.69182896 -7.77579428 -5.33131704 -6.48604619 -0.90994877 -3.71071002 -6.48015638 -2.57869326 -0.2400859 -1.14763764 3.69480927 0.03736919 4.43563388 2.52992488 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22398-80-7 31170 144212597 Indium(III) phosphide [In]#P Tox21_302280 -NCGC00254232-01 196699782 tox21-ror-cho-viability-p1 set1 4 -4.88067286 -1.72889782 -1.32457082 0.58152389 -5.90500164 -0.72176903 -3.96544268 -1.59070066 2.1281113 0.46231354 -1.68459801 -6.04479714 -3.63618472 -5.96775481 1.45294669 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81131-70-6 16759173 144210590 A A Pravastatin sodium [Na+].[O-]C(=O)C[C@H](O)C[C@H](O)CC[C@H]2[C@@H](C)C=CC1=C[C@@H](O)C[C@H](OC(=O)[C@@H](C)CC)[C@@H]12 Tox21_300270 -NCGC00163906-02 196699764 tox21-ror-cho-viability-p1 set1 4 3.71950219 0.67445587 1.61148392 1.57242642 3.34585649 5.50614777 -0.74671167 0.14919204 3.57954576 -0.73760432 2.86113013 2.66861938 2.13603765 3.43460316 0.78278418 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00254671-01 196699766 tox21-ror-cho-viability-p1 set1 4 3.09020327 -1.12083354 4.68891896 2.66508797 0.31430503 0.03231007 3.33353069 0.02157554 4.52258664 4.34083676 4.30535907 4.15495891 0.1459238 2.98318176 -2.46936106 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 75-60-5 2513 144211084 Ac Dimethylarsinic acid C[As](C)(O)=O Tox21_300767 -NCGC00091426-02 196699770 tox21-ror-cho-viability-p1 set1 4 13.6854287769 -15.379972472 1.5 -13.879972472 1.6266150999 0.6536329564 0.0620486842 -2.39245175 -1.43240791 1.97281887 3.12218006 2.70804872 0.09295769 5.37501139 0.5828329 2.65495489 0.03473456 2.36353139 -0.13996702 -15.20211502 -3.30759892 -17.39997706 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00256009-01 196700181 tox21-ror-cho-viability-p1 set1 4 61.130564862 13.3114932239 -2.8114932239 10.5 2.9022712143 0.6311944359 0.0767438713 -5.08912939 -5.09370912 -1.83367968 -0.3822931 -1.58094656 -6.09291102 -2.5266226 -4.03807022 -5.51954789 -4.48727131 1.66084263 -1.13593338 -2.50013854 0.2238095 7.564436 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 623-84-7 12198 144212006 A A Propylene glycol diacetate CC(COC(=O)C)OC(=O)C Tox21_301689 -NCGC00255228-01 196700180 tox21-ror-cho-viability-p1 set1 4 22.2970779995 -25.016293256 0.5 -24.516293256 0.7999999999 0.8763864026 0.0009146499 0.30795004 2.75460451 0.12892594 -2.44226594 0.53835418 -2.40795686 3.03763428 0.20337594 0.27090917 -1.6551276 -9.59067051 -3.96933908 -9.60171534 -16.07787667 -17.93024438 1.097E-9 2.4529999999E-9 5.486E-9 1.2269999999E-8 2.7429999999E-8 6.133E-8 1.371E-7 3.0669999999E-7 6.857E-7 0.0000015329999999 0.0000034289999999 0.000007667 0.00001714 0.000038329999999 0.000085709999999 17372-87-1 11048 144212469 A Fns Eosin [Na+].[Na+].[O-]C(=O)c4ccccc4C=2c3cc(Br)c([O-])c(Br)c3OC=1C=2C=C(Br)C(=O)C=1Br Tox21_302152 -NCGC00255824-01 196700186 tox21-ror-cho-viability-p1 set1 4 -2.94597565 2.18217435 1.19284842 0.83222619 -4.37253304 3.80114789 0.100002 -2.35743877 2.19793103 2.34678826 1.50952412 0.70832181 2.63533258 1.33462051 2.43224422 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67874-72-0 62240 144212205 A 2-(2-Methylbutan-2-yl)cyclohexyl acetate O=C(C)OC1CCCCC1C(C)(C)CC Tox21_301888 -NCGC00257590-01 196730495 tox21-ror-cho-viability-p1 set3 4 -15.62433011 3.23597006 -22.50092462 -1.16590827 0 -17.57798157 0 0 0 0 -14.7552238 0 -4.45977996 -5.41945425 -0.56725886 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-26-2 8102 144207234 FNS Hexylamine CCCCCCN Tox21_200036 -NCGC00257804-01 196730485 tox21-ror-cho-viability-p1 set3 4 30.6690184797 9.273272776 -6.273272776 3 0.5999999999 0.3917086685 0.2827875682 -5.02752073 -10.64439398 -2.51472415 -6.48392079 -7.19497001 -3.81708873 -4.57981881 -9.00464307 -6.50667944 -3.41956307 -0.78347282 -6.99319833 -0.85255633 -3.29260768 1.41556994 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.302E-7 7.3839999999E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.0000923 3234-28-4 18604 144207448 A Fns 1,2-Epoxytetradecane CCCCCCCCCCCCC1CO1 Tox21_200250 -NCGC00257836-01 196730487 tox21-ror-cho-viability-p1 set3 4 -0.40579262 -3.89445532 2.22752212 1.76796153 -4.22438024 1.36819351 2.81477902 3.24228308 -4.76262724 2.62987974 -6.0527374 -19.48620738 11.35198295 2.39485161 5.78259377 1.152E-9 2.576E-9 5.7609999999E-9 1.288E-8 2.8799999999E-8 6.4409999999E-8 1.44E-7 3.22E-7 7.2009999999E-7 0.00000161 0.000003601 0.000008051 0.000018 0.00004026 0.00009001 110-59-8 8061 144207480 FC Valeronitrile CCCCC#N Tox21_200282 -NCGC00258324-01 196730491 tox21-ror-cho-viability-p1 set3 4 2.67638474 1.32383821 0.12804941 1.4306074 1.42361205 1.34005136 3.14029946 0.40588833 3.06220856 0.34260753 1.58094066 2.47056243 -0.28594338 -0.77004764 -0.89739115 1.109E-9 2.479E-9 5.544E-9 1.2399999999E-8 2.772E-8 6.199E-8 1.3859999999E-7 3.099E-7 6.9299999999E-7 0.00000155 0.000003465 0.000007748 0.00001733 0.00003874 0.000086629999999 129618-40-2 4463 144207968 A A Nevirapine O=C3Nc1c(C)ccnc1N(C2CC2)c4ncccc34 Tox21_200770 -NCGC00256961-01 196726821 tox21-ror-cho-viability-p1 set3 4 -0.42974518 -3.57158903 -3.35092914 -2.83306951 0.08346188 -0.1694324 -1.82580328 2.20916745 -5.61344407 0 -0.28147125 -4.87044314 -4.30910332 -4.04430546 -3.27784167 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 262-20-4 9217 144213558 A Ac Phenoxathiin c1ccc2Sc3ccccc3Oc2c1 Tox21_303241 -NCGC00257441-01 196726399 tox21-ror-cho-viability-p1 set3 4 3.9E-8 -29.38962215 -29.30659371 -21.41688024 -16.58480499 -10.47803038 -3.91998572 -5.08178268 0.69044855 -2.51033816 -1.98588723 -0.32020867 -0.81499637 -2.03203881 1.69946979 -1.87125245 1.0679999999E-9 2.3869999999E-9 5.3379999999E-9 1.1939999999E-8 2.6689999999E-8 5.9679999999E-8 1.335E-7 2.9839999999E-7 6.6729999999E-7 0.0000014919999999 0.000003336 0.00000746 0.00001668 0.0000373 0.000083409999999 65505-17-1 47649 144213899 A Fns Methyl 2-methyl-3-furyl disulfide Cc1occc1SSC Tox21_303594 -NCGC00256686-01 196726404 tox21-ror-cho-viability-p1 set3 4 -20.68074005 0 0 -18.31322545 0 0 0 -0.31842857 0 -12.81276496 0 -20.28648706 -12.52118829 -6.02742285 -8.70897641 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3209-13-0 76674 144212868 A B 3-Methoxy-5-methylphenol Oc1cc(C)cc(OC)c1 Tox21_302551 -NCGC00257242-01 196726805 tox21-ror-cho-viability-p1 set3 2.2 13.6019669824 32.81757084 -0.81757084 32 2.3331733767 0.7388035457 0.0294247736 -2.74248311 -2.87302167 7.04040835 0.28887288 0.02424243 0.7324192 -1.16682106 -4.71185968 -0.38154329 -0.99919442 1.02134672 -4.8479757 31.064786 22.57166295 -20.22676918 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 55-56-1 9552079 144213755 F A Chlorhexidine Clc2ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)cc2 Tox21_303445 -NCGC00257039-01 196726825 tox21-ror-cho-viability-p1 set3 4 -0.85845888 0.36610584 3.94190158 3.64119937 4.57628537 5.69533299 0.37919974 7.6382735 3.34893048 8.41489624 6.31851278 4.65114385 4.19330019 0.81088484 -0.78368769 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1675-54-3 2286 144213632 C A Bisphenol A diglycidyl ether CC(C)(c2ccc(OCC1CO1)cc2)c4ccc(OCC3CO3)cc4 Tox21_303315 -NCGC00257213-01 196727239 tox21-ror-cho-viability-p1 set3 4 0.80673182 1.77017947 1.44911468 2.75119617 1.5850007 1.68432553 -3.91428851 0.37977096 -3.20987823 -0.22177058 -2.9005975 6.872266 -1.79276674 -0.30884745 -1.2454992 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-09-6 8872 144213640 A F Hexyl methacrylate O=C(OCCCCCC)C(=C)C Tox21_303323 -NCGC00256468-01 196727638 tox21-ror-cho-viability-p1 set3 4 0.0881712182 4.6780583119 -2.6780583119 2 4.9549173134 0.4883787185 0.1910455965 -0.08433978 -0.22653229 -4.02474856 -5.98171526 -3.08331324 -3.61818759 -0.49466519 5.32005981 3.8405341 1.66060068 4.46292942 -0.13460724 -3.44245693 1.8878606 1.95677092 7.4319999999E-10 1.662E-9 3.716E-9 8.31E-9 1.8579999999E-8 4.1549999999E-8 9.291E-8 2.077E-7 4.645E-7 0.000001039 0.000002323 0.000005194 0.000011609999999 0.000025969999999 0.00005807 759-73-9 12967 144213066 F F 1-Ethyl-1-nitrosourea NC(=O)N(CC)N=O Tox21_302749 -NCGC00257485-01 196727648 tox21-ror-cho-viability-p1 set3 4 8.8637445 0.88822767 4.95520819 1.09964668 -0.39837032 1.97648206 1.52735141 1.33474967 0.68756319 0.94731621 -1.02541349 1.00385628 -0.89794224 -0.69744944 -0.08088905 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-09-7 34306 144213728 F F Isooctyl 2-mercaptoacetate CC(C)CCCCCOC(=O)CS Tox21_303417 -NCGC00257379-01 196727650 tox21-ror-cho-viability-p1 set3 4 1.15598141 0.89695242 0.01268639 -0.03188838 -0.8691402 0.20244584 -0.10674874 2.37434235 2.207999 3.94875273 4.03744696 2.6224172 0.56841065 1.4708123 1.93502533 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-56-8 6654 144213697 Fns alpha-Pinene CC2(C)C1CC=C(C)C2C1 Tox21_303385 -NCGC00255418-01 196728057 tox21-ror-cho-viability-p1 set3 4 -3.2253208 0.48706149 4.4154012 2.80721786 5.31747161 -0.7795964 6.46124143 2.17706611 1.52535239 2.48188245 1.42739692 0.20982231 2.00922948 -3.15823186 1.80736298 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 525-79-1 3830 144211531 A A Kinetin N1C=NC3=NC=NC3=C1NCc2ccco2 Tox21_301214 -NCGC00257921-01 196715786 tox21-ror-cho-viability-p1 set2 4 -2.52139158 -0.86508473 -1.38876316 -2.34688635 -0.01759872 0.20386008 1.33511801 -1.60532886 0.4408407 0.05422952 -1.18254739 0.17458376 -3.40098509 0.34273522 1.46246894 1.149E-9 2.569E-9 5.744E-9 1.284E-8 2.872E-8 6.422E-8 1.436E-7 3.211E-7 7.1799999999E-7 0.000001606 0.0000035899999999 0.000008028 0.00001795 0.00004014 0.00008976 80-62-6 6658 144207565 FNS Methyl methacrylate C=C(C)C(=O)OC Tox21_200367 -NCGC00257797-01 196715779 tox21-ror-cho-viability-p1 set2 4 2.7056291799 -14.110432648 1 -13.110432648 2.4729283767 0.9180399178 0.0001178947 3.93140205 0.19844599 1.70641499 0.31618144 -0.08893732 2.50868448 0.44456295 -0.57219982 -0.78822981 -2.44507332 -8.17659733 -13.55764001 -15.92536054 -13.71126608 -8.59457515 1.171E-9 2.618E-9 5.854E-9 1.3089999999E-8 2.927E-8 6.545E-8 1.464E-7 3.2729999999E-7 7.3179999999E-7 0.0000016359999999 0.0000036589999999 0.0000081809999999 0.00001829 0.000040909999999 0.000091469999999 1704-62-7 74348 144207441 A F 2-[2-(Dimethylamino)ethoxy]ethanol CN(C)CCOCCO Tox21_200243 -NCGC00258610-01 196715782 tox21-ror-cho-viability-p1 set2 -2.4 62.4383774676 -28.47230466 0 -28.47230466 4.9549173134 0.9733410442 2.499E-7 -0.13817197 -0.26002982 1.47997167 0.42073252 0.24730373 -0.18666488 1.93583738 -0.21079112 -0.12566488 1.6228245 0.14255682 -2.46618956 -1.05751232 -3.33589935 -24.97692055 1.2009999999E-9 2.6849999999E-9 6.0029999999E-9 1.3419999999E-8 3.002E-8 6.712E-8 1.501E-7 3.356E-7 7.5039999999E-7 0.0000016779999999 0.0000037519999999 0.00000839 0.00001876 0.00004195 0.000093799999999 203-64-5 9147 144208255 A Ac 4H-Cyclopenta(def)phenanthrene c1cc2cccc3Cc4cccc1c4c23 Tox21_201057 -NCGC00257726-01 196716219 tox21-ror-cho-viability-p1 set2 4 63.9386270414 -8.79037866 2.5 -6.29037866 4.0449729863 0.5423260618 0.1451185973 0.5640478 2.17690522 2.61781731 3.06961168 2.44779802 2.40682819 2.81136145 2.41002233 8.36741615 1.7360495 2.78051941 0.16702221 3.30219964 1.00164412 -4.82531555 1.2249999999E-9 2.739E-9 6.125E-9 1.37E-8 3.063E-8 6.848E-8 1.531E-7 3.4239999999E-7 7.657E-7 0.0000017119999999 0.000003828 0.000008561 0.00001914 0.0000428 0.000095709999999 607-91-0 4276 144207370 A A Myristicin C=CCc1cc2OCOc2c(c1)OC Tox21_200172 -NCGC00258676-01 196716614 tox21-ror-cho-viability-p1 set2 4 -1.32324339 3.03204204 4.67404163 2.13203276 2.51745106 0.64235945 -2.43428186 -0.16333827 3.74813695 3.29686002 -0.07850427 0.52048159 2.34042694 2.60187451 4.29787276 1.156E-9 2.5839999999E-9 5.779E-9 1.292E-8 2.889E-8 6.461E-8 1.4449999999E-7 3.23E-7 7.224E-7 0.000001615 0.000003612 0.000008076 0.000018059999999 0.00004038 0.00009029 592-51-8 11604 144208322 A Ac 4-Pentenenitrile C=CCCC#N Tox21_201124 -NCGC00257753-01 196716625 tox21-ror-cho-viability-p1 set2 -2.4 66.6412255095 -30.3735064559 1 -29.3735064559 4.9549173134 0.9231515214 0.0000843825 2.39592563 0.62176646 -4.45798189 0.23078793 1.85308907 0.41651216 1.00080423 0.18357615 2.54190147 0.27354149 3.5142809 2.47539297 1.92843473 0.0584517 -24.06125538 1.152E-9 2.576E-9 5.7609999999E-9 1.288E-8 2.8809999999E-8 6.4409999999E-8 1.44E-7 3.221E-7 7.2009999999E-7 0.00000161 0.000003601 0.000008051 0.000018 0.00004026 0.00009002 4640-01-1 627458 144207397 A A Methyl triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1OC Tox21_200199 -NCGC00015799-06 196717033 tox21-ror-cho-viability-p1 set2 4 0.0084126743 6.104351764 -8.578436956 -2.474085192 4.9549173134 0.6311450396 0.0898851545 -4.91009988 -7.7987738 -12.56536413 -6.79150254 -3.03984102 -0.81173766 -1.92341605 -6.18342361 -2.18622421 -2.56607059 -1.3286765 -2.95243028 -3.27581208 -2.18041293 -14.0094016 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62-68-0 65341 170466149 A Proadifen hydrochloride Cl.CCN(CC)CCOC(=O)C(CCC)(c1ccccc1)c2ccccc2 Tox21_111260_1 -NCGC00015771-13 196717035 tox21-ror-cho-viability-p1 set2 4 -2.07459314 -2.1155992 0.72489476 -0.84099815 -1.22004303 2.14860426 1.21096098 1.21564266 -0.60978525 -0.22375749 -0.67598564 -0.68475037 0.74465945 -0.3421316 -0.36459124 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4682-36-4 83823 170464910 A Orphenadrine dihydrogen citrate O=C(O)C(O)(CC(=O)O)CC(=O)O.CN(C)CCOC(c1ccccc1)c2ccccc2C Tox21_111323_1 -NCGC00166227-02 196717449 tox21-ror-cho-viability-p1 set2 4 0.11304834 0.69720896 2.0887185 1.176212 7.94114266 4.56581465 5.93407778 6.33185397 1.99817614 2.99308813 3.44101013 0.43763389 3.38799198 1.02093372 2.35881579 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84392-17-6 55251 170466092 A Xenalipin OC(=O)c2ccccc2c1ccc(cc1)C(F)(F)F Tox21_112359_1 -NCGC00186653-01 196717458 tox21-ror-cho-viability-p1 set2 -2.4 29.8492948118 -30.7770912079 2.5 -28.2770912079 2.09374246 0.8664651676 0.0013195751 -0.22915891 -0.38246542 -0.3081884 4.54981269 4.81282304 5.59206104 3.78643807 6.78723237 1.34355413 2.78886399 -0.47673268 -0.42326875 -0.54091428 -6.5286595 -20.23090934 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 440-17-5 66064 170465265 A Fluoperazine dihydrochloride Cl.Cl.FC(F)(F)c2cc3N(CCCN1CCN(C)CC1)c4ccccc4Sc3cc2 Tox21_110017_1 -NCGC00015724-17 196717461 tox21-ror-cho-viability-p1 set2 4 1.6785492 16.2589413439 -9.7589413439 6.5 0.9999999999 0.6907152611 0.0423962565 -8.58349283 -4.89069562 -7.22357971 -9.22903365 -8.64641112 -13.97537501 -12.15797431 -18.13245112 -0.224795 -3.17280914 0.2051872 -0.05531736 0.66075815 4.30052337 9.22231093 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4394-00-7 4488 170466463 A Niflumic acid FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O Tox21_110206_1 -NCGC00159452-03 196717871 tox21-ror-cho-viability-p1 set2 4 -1.21576519 -3.14806816 -0.38557113 -3.79474594 -4.90391758 -2.64750205 1.13611912 -2.02551901 -0.26751196 -3.54559784 -4.57280251 -8.21814227 -4.98270473 -2.67984284 -0.50276052 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68367-52-2 337359 170466611 A Sorbinil Fc2ccc3OCC[C@]1(NC(=O)NC1=O)c3c2 Tox21_111679_1 -NCGC00254796-01 196714979 tox21-ror-cho-viability-p1 set2 4 0.44982893 0.65462067 -0.13059807 0.87510666 1.05930568 2.13660676 0.55934379 1.43971129 -0.09148037 0.63011165 2.77858576 2.55126023 3.85313317 2.04958475 1.20229638 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 52315-07-8 2912 144211209 I I Cypermethrin Cl/C(Cl)=C/C3C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C Tox21_300892 -NCGC00258468-01 196715752 tox21-ror-cho-viability-p1 set2 4 3.0419888271 13.659647048 -4.659647048 9 0.2 0.4133167771 0.2788685111 -1.80525482 -2.61375936 -3.46637254 0.83106713 -1.63890403 -0.90820339 2.03875073 -1.27476646 7.24905593 -1.42890436 1.42194944 0.37809168 2.02751834 7.17859688 0.27818148 1.173E-9 2.6229999999E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.557E-8 1.466E-7 3.2779999999E-7 7.3309999999E-7 0.0000016389999999 0.000003665 0.0000081959999999 0.00001833 0.00004098 0.000091629999999 64519-82-0 88735 144208112 Z Z Isomalt OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O Tox21_200914 -NCGC00258018-01 196715327 tox21-ror-cho-viability-p1 set2 4 1.67333102 4.95647356 1.10487082 4.27946436 4.07432657 -0.32059086 2.8466166 3.37651221 3.80195902 -0.2858144 1.89894516 2.59489611 0.05179667 2.30967532 0.39140752 1.193E-9 2.6689999999E-9 5.967E-9 1.3339999999E-8 2.9839999999E-8 6.671E-8 1.4919999999E-7 3.3359999999E-7 7.4589999999E-7 0.000001668 0.0000037289999999 0.000008339 0.00001865 0.0000417 0.00009324 22984-54-9 9568808 144207662 D 2-Butanone, O,O',O''-(methylsilylidyne)trioxime CCC(\C)=N\O[Si](C)(O\N=C(/C)CC)O\N=C(/C)CC Tox21_200464 -NCGC00258474-01 196715734 tox21-ror-cho-viability-p1 set2 4 2.8870593216 10.6276638679 -4.6276638679 6 0.3 0.6516923797 0.0645167124 -0.81211513 -6.1230608 -7.18971989 -2.13179779 -1.04760063 -0.41479848 -0.69078533 -0.23315841 -0.38391266 -1.29026351 0.72747625 0.70053777 1.36240332 3.69377814 3.73914003 1.123E-9 2.511E-9 5.615E-9 1.256E-8 2.807E-8 6.278E-8 1.4039999999E-7 3.1389999999E-7 7.0189999999E-7 0.000001569 0.0000035089999999 0.000007847 0.00001755 0.00003924 0.00008773 110-00-9 8029 144208118 FNS Furan c1ccco1 Tox21_200920 -NCGC00258012-01 196715739 tox21-ror-cho-viability-p1 set2 4 3.71456307 0.81503515 1.27294435 2.35973707 2.08082522 0.8528083 2.4677662 1.8133687 2.91796331 2.50901202 0.07220652 6.25145046 -0.01355377 1.55789763 -0.06348873 1.1779999999E-9 2.635E-9 5.891E-9 1.3169999999E-8 2.9459999999E-8 6.587E-8 1.4729999999E-7 3.2929999999E-7 7.364E-7 0.0000016469999999 0.0000036819999999 0.000008233 0.000018409999999 0.00004117 0.000092049999999 3048-65-5 62475 144207656 FNS 3a,4,7,7a-Tetrahydroindene C1=CCC2CC=CCC12 Tox21_200458 -NCGC00258190-01 196716143 tox21-ror-cho-viability-p1 set2 4 2.10034204 1.03295903 -3.96713965 0.82873323 -3.19953494 -2.88791078 0.61135247 -0.443927 1.86946974 -2.17128542 -2.25066298 -1.12495488 0.28526269 2.05428067 2.48524042 1.206E-9 2.697E-9 6.0309999999E-9 1.349E-8 3.016E-8 6.743E-8 1.5079999999E-7 3.372E-7 7.539E-7 0.0000016859999999 0.00000377 0.000008429 0.00001885 0.000042149999999 0.000094239999999 1629-58-9 15394 144207834 FNS Ethyl vinyl ketone C=CC(=O)CC Tox21_200636 -NCGC00258743-01 196716145 tox21-ror-cho-viability-p1 set2 4 61.7527572729 -15.501779804 0 -15.501779804 1.4163171 0.7097857656 0.0344532038 -2.03145001 0.56995158 -2.48350469 1.13179099 1.63263679 0.8575761 1.61395451 -2.1298667 0.33691724 0.35535955 -3.00105448 1.55567402 -5.10483872 -3.58065841 -11.25148317 1.19E-9 2.661E-9 5.95E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003719 0.000008315 0.00001859 0.00004158 0.00009297 622-78-6 2346 144208389 D Benzyl isothiocyanate S=C=N\Cc1ccccc1 Tox21_201191 -NCGC00094521-05 196716146 tox21-ror-cho-viability-p1 set2 4 0.1087072248 4.8928039719 -3.3928039719 1.5 0.9309999999 0.4715483192 0.2078672281 0.43209453 -4.16329498 -6.99400331 -2.98214035 -1.03163889 -0.89053408 0.01107252 -0.49645224 -0.06568641 1.04361422 -0.46277935 5.89637879 0.94707024 0.83747313 0.23415126 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00258388-01 196716150 tox21-ror-cho-viability-p1 set2 4 76.4113045955 -15.598921056 -2 -17.598921056 4.4494702849 0.7181698026 0.0310554962 -0.09339155 -3.31148347 -3.80836974 -2.35842602 0.10599443 -0.24269889 -3.81603175 -2.45416044 -3.99540764 -3.89252616 -3.0557098 0.72668008 0.88697724 -2.36363847 -12.99910088 1.173E-9 2.622E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.3299999999E-7 0.0000016389999999 0.000003665 0.000008195 0.00001832 0.000040969999999 0.00009162 142-83-6 637564 144208032 FNS (2E,4E)-2,4-Hexadienal C\C=C\C=C\C=O Tox21_200834 -NCGC00258387-01 196716163 tox21-ror-cho-viability-p1 set2 4 1.36690618 -1.57955565 -1.58842182 -0.01981462 0.24835205 0.60892166 0.40427819 0.43619548 -1.15742793 -1.72011002 -1.67672827 -4.7157059 -0.52680528 -8.03715905 -4.43947018 1.1679999999E-9 2.612E-9 5.8409999999E-9 1.3059999999E-8 2.92E-8 6.53E-8 1.4599999999E-7 3.265E-7 7.3009999999E-7 0.0000016319999999 0.0000036499999999 0.000008162 0.00001825 0.00004081 0.00009126 108-43-0 7933 144208031 A A 3-Chlorophenol Oc1cc(Cl)ccc1 Tox21_200833 -NCGC00258767-01 196716164 tox21-ror-cho-viability-p1 set2 4 -2.48225322 -0.763144 -0.80009633 -3.10561005 -1.88246769 1.22379983 -2.37607014 -0.12474219 -0.91641479 -2.45887414 -1.17047228 -2.80233048 -0.94208305 -1.93510789 -1.12733752 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 328-42-7 970 144208413 FC 2-Oxobutanedioic acid O=C(O)C(=O)CC(=O)O Tox21_201215 -NCGC00164516-02 196716977 tox21-ror-cho-viability-p1 set2 4 37.5780357627 10.6542447679 -1.6542447679 9 4.9549173134 0.6232325693 0.0827334536 -0.90879868 -2.458285 -4.71187064 -1.04898322 -1.10684751 -0.15348462 -0.68818774 -1.97591916 1.12499734 -2.76688954 -0.88885897 0.78261815 -2.77270008 -4.36683275 7.42199625 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87940-60-1 65659 170466331 C Eprobemide Clc1ccc(cc1)C(=O)NCCCN2CCOCC2 Tox21_112151_1 -NCGC00253664-01 196716987 tox21-ror-cho-viability-p1 set2 4 4.16527653 -1.69221972 0.53974027 -2.49513967 1.42130514 2.60962001 2.08959549 -0.55166593 2.93505783 -0.94763181 -0.9913748 -2.48080134 -0.61046131 -2.3161729 -1.55690795 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14205-39-1 84253 170466714 F B Methyl 3-aminobut-2-enoate CC(N)=CC(=O)OC Tox21_113788 -NCGC00159378-04 196717004 tox21-ror-cho-viability-p1 set2 4 2.04847265 0.76597916 0.91397782 1.03583961 4.30916905 1.59041944 0.58942428 -1.13498966 0.86484314 0.63686414 -0.44647204 0.87213182 1.76927505 0.74001483 -0.40247879 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-88-1 60962 170466834 F Phenylhydrazine hydrochloride Cl.NNc1ccccc1 Tox21_111618_1 -NCGC00255862-01 196701446 tox21-ror-cho-viability-p1 set1 4 -0.47286712 -0.87735209 -0.67449068 0.07460331 1.6294291 1.09715286 2.35966457 -0.99344484 0.18196025 2.99227533 1.66721962 0.8664867 1.01891485 1.44730002 1.06340662 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 1670-14-0 80289 144212482 Z A Benzenecarboximidamide, monohydrochloride Cl.N=C(N)c1ccccc1 Tox21_302165 -NCGC00255899-01 196701016 tox21-ror-cho-viability-p1 set1 4 1.75855459 1.93201558 0.87761708 -0.04922656 -0.50726351 -1.39413505 0.97368208 -1.08630174 2.71671427 2.91515689 2.03280949 2.79409543 0.70075611 -1.06097969 0.99690961 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-38-6 6636 144211641 A A Fenson Clc2ccc(OS(=O)(=O)c1ccccc1)cc2 Tox21_301324 -NCGC00255977-01 196701025 tox21-ror-cho-viability-p1 set1 4 0.07973082 1.35562782 0.37083333 0.33416615 -1.35781302 -0.15425886 -1.46854346 -0.41384482 3.13315377 1.53747196 1.75286103 2.50927298 3.1740542 5.92750697 4.91707537 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-66-2 8766 144212499 A Ac Diphenyl sulfide c1ccccc1Sc2ccccc2 Tox21_302182 -NCGC00255280-01 196701032 tox21-ror-cho-viability-p1 set1 4 2.12778092 0.58256168 0.34086346 0.66245503 3.06893447 1.50920426 0.24035991 0.16570443 0.16281696 2.1745743 6.09990227 0.08514391 -1.01686026 2.71036199 1.36628638 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 671-16-9 4915 144212055 A D Procarbazine CC(C)NC(=O)c1ccc(CNNC)cc1 Tox21_301738 -NCGC00257800-01 196701851 tox21-ror-cho-viability-p1 set1 4 1.30231709 0.99935752 -0.00556893 2.54289224 2.54188936 0.83089072 -0.40377298 1.84450384 2.23511853 1.91941174 3.06863138 3.96949749 3.72588347 4.86414278 8.43403322 1.173E-9 2.624E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.000003667 0.0000081989999999 0.00001833 0.00004099 0.000091659999999 7791-18-6 643991 144207444 Magnesium chloride hexahydrate O.O.O.O.O.O.Cl[Mg]Cl Tox21_200246 -NCGC00257995-01 196701852 tox21-ror-cho-viability-p1 set1 4 0.0015121369 13.645920464 -12.645920464 1 4.9549173134 0.4231839006 0.250914941 -9.70493372 0.95626607 0.40486386 5.02981818 -5.03641137 0.69950867 10.11762793 0.03892664 0.57863859 1.45097281 0.75132976 1.51431461 2.15278652 -1.15614379 -1.348833 1.165E-9 2.606E-9 5.8259999999E-9 1.303E-8 2.9129999999E-8 6.514E-8 1.457E-7 3.2569999999E-7 7.2829999999E-7 0.000001629 0.000003641 0.000008143 0.00001821 0.00004071 0.00009104 126-11-4 31337 144207639 A A 2-(Hydroxymethyl)-2-nitro-1,3-propanediol O=[N+]([O-])C(CO)(CO)CO Tox21_200441 -NCGC00258595-01 196701863 tox21-ror-cho-viability-p1 set1 4 -0.57814941 1.8693244 0.18515091 5.4119922 3.11779448 -1.35136314 6.47747176 4.64569073 1.57549926 1.09534249 0.15059086 -0.44366388 0.67277547 -1.36948118 2.29600016 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008241 0.000018429999999 0.00004121 0.00009214 7320-37-8 23741 144208240 AC Fns 1,2-Epoxyhexadecane CCCCCCCCCCCCCCC1CO1 Tox21_201042 -NCGC00091163-03 196702279 tox21-ror-cho-viability-p1 set1 4 1.01628644 -0.38754324 2.36658257 -0.47992895 0.93017957 0.12528461 1.11420722 -1.45992957 0.73776025 1.46214114 -11.43106581 2.01412134 0.35120575 -0.37610651 0.14422275 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00258493-01 196702686 tox21-ror-cho-viability-p1 set1 4 48.9036036319 -25.511491896 -4 -29.511491896 0.4 0.6400889746 0.070321793 -6.56755645 -6.46735379 1.99985935 -5.79536497 -8.13687564 -10.86815401 -6.58972208 -8.3842947 -5.05860075 -5.52185298 -14.63449094 -13.80929449 -11.53027089 -14.20928806 -21.25957658 1.187E-9 2.654E-9 5.9329999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.4829999999E-7 3.317E-7 7.417E-7 0.0000016579999999 0.000003708 0.000008292 0.00001854 0.00004146 0.000092709999999 13014-18-1 25607 144208137 A Ac 2,4-Dichloro-1-(trichloromethyl)benzene ClC(Cl)(Cl)c1ccc(Cl)cc1Cl Tox21_200939 -NCGC00255213-01 196700637 tox21-ror-cho-viability-p1 set1 4 -3.4495116 2.4865678 -3.85262988 1.76261092 -1.63096736 -3.1126167 -1.10882456 -2.98972959 -3.95779252 -2.38031109 -2.55686447 -2.64765909 -4.53665203 1.30085281 -3.85901136 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-49-3 72060 144212525 A A Ethylphenylacetylurea CCC(C(=O)NC(N)=O)c1ccccc1 Tox21_302208 -NCGC00255687-01 196700625 tox21-ror-cho-viability-p1 set1 4 61.130564862 18.2970345159 -4.2970345159 14 4.0949729863 0.6039858822 0.0944401693 -4.96371723 -4.91067746 -6.73114753 -11.91419543 -8.32079805 -4.57814693 -1.45584063 -4.31265167 -0.69871634 -2.20310976 0.08931849 0.27704085 -3.67105396 -1.37985098 11.31373325 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13254-34-7 83268 144212265 A A 2,6-Dimethyl-2-heptanol CC(C)(O)CCCC(C)C Tox21_301948 -NCGC00255175-01 196700627 tox21-ror-cho-viability-p1 set1 4 -1.9481395 -1.52566128 -0.50925625 -4.39870733 -3.85571806 -1.36514754 2.91127421 -5.90134562 -4.82253657 -3.44102281 -1.84124266 -2.71812352 -4.7158738 -3.82886734 -6.64105398 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 530-78-9 3371 144212428 A A Flufenamic acid FC(F)(F)c1cc(ccc1)Nc2ccccc2C(=O)O Tox21_302111 -NCGC00255739-01 196700635 tox21-ror-cho-viability-p1 set1 4 28.2249356922 11.704244264 0.295755736 12 4.9549173134 0.5495012888 0.1531491717 -1.39287742 1.16051486 -1.30548243 1.59746252 3.19069404 3.42153198 -1.38743417 -5.58687022 1.51390807 -0.71032578 4.27272892 0.00690822 1.56644966 10.75202599 2.77016181 1.213E-9 2.713E-9 6.067E-9 1.357E-8 3.033E-8 6.7829999999E-8 1.517E-7 3.391E-7 7.5829999999E-7 0.000001696 0.0000037919999999 0.000008479 0.00001896 0.00004239 0.00009479 1323-19-9 60196428 144212588 F Sodium triisopropyl naphthalene sulfonate [Na+].CC(C)c1cc2c(cc1)c(cc(C(C)C)c2S([O-])(=O)=O)C(C)C Tox21_302271 -NCGC00257829-01 196729313 tox21-ror-cho-viability-p1 set3 4 6.3375338208 -5.263215664 1 -4.263215664 4.9549173134 0.4995345935 0.1986456393 2.27642893 -1.1603911 2.12151103 0.2580263 -0.08503101 1.7500918 1.52593218 1.49848266 2.21834666 0.86174191 1.80799273 -4.02958647 -8.55267972 0.93015821 0.26338519 1.216E-9 2.718E-9 6.079E-9 1.359E-8 3.0389999999E-8 6.796E-8 1.5199999999E-7 3.3979999999E-7 7.598E-7 0.000001699 0.000003799 0.0000084949999999 0.000018999999999 0.00004247 0.00009498 10599-70-9 61527 144207473 A C 3-Acetyl-2,5-dimethylfuran Cc1cc(C(=O)C)c(C)o1 Tox21_200275 -NCGC00256026-01 196728495 tox21-ror-cho-viability-p1 set3 4 1.3685428777 -10.6236260799 3 -7.6236260799 0.3 0.6607339916 0.6350028257 -0.62672443 6.31939202 0.80243591 -0.55651877 0.28879315 -0.71393086 -32.16120207 -1.06248552 -1.60453848 -2.66453507 -1.18262176 -3.76436596 -5.34342213 -6.7696884 -3.5820618 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3913-02-8 19800 144211591 A A 2-Butyloctan-1-ol CCCCCCC(CO)CCCC Tox21_301274 -NCGC00255641-01 196728889 tox21-ror-cho-viability-p1 set3 4 3.35356285 4.05533026 10.38218114 2.46894767 -2.0241507 -0.18036221 -1.12313752 -1.11573978 0.25915933 -0.10308852 7.19313024 12.604665 -6.27953705 5.72089336 4.82412861 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 2835-68-9 76079 144211973 A A 4-Aminobenzamide O=C(N)c1ccc(N)cc1 Tox21_301656 -NCGC00255649-01 196728899 tox21-ror-cho-viability-p1 set3 4 0.0126325648 15.6094213799 -10.1094213799 5.5 0.2 0.4178088214 0.2737874978 -6.75785115 -1.63522091 -3.57656046 -2.42366088 3.40298649 -3.43738364 -0.6555192 -1.41128757 3.74680953 0.60018298 -3.57978098 5.87943753 0.6655857 4.75195065 -0.06020947 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 34885-03-5 118193 144211845 A I 4-Methylcyclohexanemethanol CC1CCC(CO)CC1 Tox21_301528 -NCGC00258761-01 196729321 tox21-ror-cho-viability-p1 set3 -1.1 7.0687471049 -71.0941761352 5.5 -65.5941761352 1.92824246 0.9838053093 5.8E-8 7.15037283 10.45024939 6.75270242 5.57373333 9.16192873 5.81379437 3.32931218 1.45193961 0.12838669 -0.68572785 -6.55427821 -39.79873037 -52.97687888 -64.90201494 48.65894824 1.21E-9 2.7049999999E-9 6.0499999999E-9 1.353E-8 3.0249999999E-8 6.764E-8 1.512E-7 3.382E-7 7.562E-7 0.000001691 0.000003781 0.000008455 0.00001891 0.00004227 0.000094529999999 77439-76-0 53665 144208407 A A 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone ClC=1C(=O)OC(O)C=1C(Cl)Cl Tox21_201209 -NCGC00094532-06 196729322 tox21-ror-cho-viability-p1 set3 4 0 0.69456331 -15.33211985 -6.80044793 -23.21158771 -20.98663678 -19.43621995 -24.36115138 -2.99355422 -20.26587162 0 -5.28685772 -7.60187168 -3.72334411 -4.72885543 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00257890-01 196729725 tox21-ror-cho-viability-p1 set3 1.4 0.0244355457 17.4242645839 -18.4242645839 -1 4.9549173134 0.8494154543 0.0022961814 -25.35355382 -13.24134024 -14.58157463 -20.60883701 -6.49251387 0 -2.13478216 -6.15624591 0 0 0 0 -2.86446229 -2.8480881 2.4546723 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.96E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 594-71-8 11673 144207534 AC C 2-Chloro-2-nitropropane CC(C)(Cl)[N+]([O-])=O Tox21_200336 -NCGC00257962-01 196729738 tox21-ror-cho-viability-p1 set3 4 0.24509564 -0.60756166 0.99687011 0.51718325 0.1333492 -0.26623669 0.92307577 0.32223066 1.23003811 2.63900168 1.34404644 -0.70835571 0.00135036 1.34064421 -0.6170975 1.164E-9 2.603E-9 5.8199999999E-9 1.301E-8 2.91E-8 6.507E-8 1.4549999999E-7 3.254E-7 7.275E-7 0.0000016269999999 0.0000036379999999 0.000008134 0.00001819 0.00004067 0.00009094 598-77-6 11733 144207606 A A 1,1,2-Trichloropropane CC(Cl)C(Cl)Cl Tox21_200408 -NCGC00258449-01 196729744 tox21-ror-cho-viability-p1 set3 4 -3.48430662 -2.37982997 -0.71808532 -0.02049723 -5.34262249 -0.99895618 -6.27857626 -2.21905219 -1.82064854 -1.37644243 0.0586592 1.37635156 -1.72666625 -3.13454227 -4.37647438 1.197E-9 2.676E-9 5.983E-9 1.338E-8 2.992E-8 6.689E-8 1.496E-7 3.345E-7 7.479E-7 0.0000016719999999 0.00000374 0.0000083619999999 0.000018699999999 0.00004181 0.000093489999999 95-31-8 7230 144208093 A F N-tert-Butyl-2-benzothiazolesulfenamide CC(C)(C)NSc1nc2ccccc2s1 Tox21_200895 -NCGC00256565-01 196726482 tox21-ror-cho-viability-p1 set3 -1.3 6.8589621897 -93.333770853 -0.102104319 -93.435875172 1.4163171 0.9983317519 0.3230724489 1.00574919 0.29348716 0.51441542 -0.05875484 -0.96681193 -0.38603908 -0.24148338 0.61526583 -5.10830884 -9.35860052 -30.17759391 -51.52488609 28.44747766 -88.29750377 -90.015294 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-07-6 10793 144213126 F 1,3-Dichloropropanone ClCC(=O)CCl Tox21_302809 -NCGC00015938-05 196726052 tox21-ror-cho-viability-p1 set3 4 26.6032120037 -12.816297832 0.5 -12.316297832 0.9999999999 0.5914357113 0.1047027976 2.25809328 1.20731852 6.39775828 -2.29062357 0.37250889 -1.20605542 0.03570411 -0.0343306 -0.19770926 -1.25183086 -1.92149749 0.89142582 -3.75246933 -3.60478782 -8.59691486 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94749-08-3 56801 170465397 D Salmeterol xinafoate OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc2ccccc2.O=C(O)c2ccc1ccccc1c2O Tox21_111270_1 -NCGC00178711-03 196726054 tox21-ror-cho-viability-p1 set3 1.2 0.4730794415 55.0253543087 -3.189462032 51.8358922767 1.55794881 0.9724712947 2.975E-7 -2.43423193 -10.99121836 -0.12116678 -1.63269326 0.52330008 -2.62851104 0.19236399 0.11399762 25.34770166 32.73200792 44.27104764 58.10540594 49.78228186 50.47416056 48.90724232 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 204519-65-3 9588170 170465333 A Gemifloxacin mesylate CS(=O)(=O)O.CO\N=C1/CN(CC1CN)c2nc3c(cc2F)C(=O)C(=CN3C4CC4)C(=O)O Tox21_111473_1 -NCGC00091643-08 196726067 tox21-ror-cho-viability-p1 set3 4 0.06577748 0.87302779 3.03301866 5.90544866 6.18312805 0.81708796 4.83611458 31.30625619 4.55634809 26.5175337 3.18884708 -4.84278674 0.09346989 0.91450166 -10.71986764 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00256723-01 196718291 tox21-ror-cho-viability-p1 set2 4 1.9959005 0.4536522 -4.7354044 1.53433368 3.29698539 -3.38218047 -0.98426911 -3.59014885 -6.01118217 -3.3041997 -2.38437128 1.66103508 1.94377662 2.91498376 0.02261031 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 644-35-9 12570 144212869 A B 2-Propylphenol Oc1ccccc1CCC Tox21_302552 -NCGC00255565-01 196718292 tox21-ror-cho-viability-p1 set2 4 0.7874398 2.00475969 0.27083472 2.72088462 1.31370928 6.90705333 1.46252503 7.47451835 7.89819419 4.72476412 6.41952494 4.69655638 2.18059385 0.64038109 3.72851446 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-68-2 41690 144212196 A Ac 4-Cyclohexylcyclohexanone O=C1CCC(CC1)C2CCCCC2 Tox21_301879 -NCGC00256424-01 196718692 tox21-ror-cho-viability-p1 set2 4 -1.92978196 -0.62223374 -0.22965023 -0.08410444 -5.83555845 -3.0128201 -1.80468548 -2.5705562 -4.80978005 -5.2463075 -0.72379622 3.32493626 0.42031802 2.82691492 2.90255463 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-10-3 985 144213283 A A Hexadecanoic acid O=C(O)CCCCCCCCCCCCCCC Tox21_302966 -NCGC00256849-01 196718691 tox21-ror-cho-viability-p1 set2 4 -2.57683743 0.81556614 -2.21021341 1.78406488 -0.31457826 1.1412656 -0.29121498 1.7695785 -2.57939604 1.10844101 1.85982189 -0.13618702 0.44908837 -0.01016181 1.52646277 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2639-63-6 17525 144212762 A F Hexyl butyrate O=C(CCC)OCCCCCC Tox21_302445 -NCGC00257204-01 196718708 tox21-ror-cho-viability-p1 set2 4 61.130564862 -16.6882142839 3 -13.6882142839 2.3531167061 0.8549586273 0.0019728435 0.88938724 1.32794537 3.56024967 2.30893501 1.0658578 4.70268696 2.56807867 4.95298355 1.97938381 3.75718748 5.21901359 2.73691983 1.01582752 -1.48414091 -9.74017857 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1724-39-6 15595 144213513 A A Cyclododecanol OC1CCCCCCCCCCC1 Tox21_303196 -NCGC00256566-01 196718714 tox21-ror-cho-viability-p1 set2 4 -0.72214214 -0.03579697 -0.82547943 0.68336989 1.00852404 8.34888591 2.12590641 1.43782904 0.55015103 3.02944982 0.79135979 0.46210403 0.39890418 -0.83877802 2.07518743 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 5131-60-2 21209 144213138 A A 4-Chloro-1,3-diaminobenzene Nc1ccc(Cl)c(N)c1 Tox21_302821 -NCGC00256427-01 196719108 tox21-ror-cho-viability-p1 set2 4 4.8557733675 6.222355876 -4.722355876 1.5 4.9549173134 0.632363289 0.0760165108 -6.87144008 0.49823515 -5.85320769 -2.483933 -5.04446767 -8.10196323 -4.00118541 -3.64945556 -6.20562905 -4.85925289 -4.53905619 2.88842941 0.6316455 -0.17299151 2.45403561 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-81-2 5280531 144213325 FNS Retinol palmitate CC=1CCCC(C)(C)C=1/C=CC(\C)=C\C=C\C(\C)=C\COC(=O)CCCCCCCCCCCCCCC Tox21_303008 -NCGC00256866-01 196719113 tox21-ror-cho-viability-p1 set2 4 -0.83906729 0.63771801 3.64083935 0.07711866 5.03070783 -0.51819311 -0.02003976 3.87808636 -1.31495461 0.81496531 6.69293745 6.32538713 0.23977738 3.83639595 6.10157216 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 39255-32-8 62902 144213029 Fns Ethyl 2-methylpentanoate CCCC(C)C(=O)OCC Tox21_302712 -NCGC00257153-01 196719116 tox21-ror-cho-viability-p1 set2 4 2.34779359 2.24196911 0.45605255 1.46818748 4.53888983 3.66382285 2.29327185 3.98974898 0.23901735 0.03893349 -0.51726173 7.13649989 1.53559841 2.23544966 6.07990335 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 68-11-1 1133 144213623 A Thioglycolic acid O=C(O)CS Tox21_303306 -NCGC00257853-01 196715810 tox21-ror-cho-viability-p1 set2 4 -3.11807524 0.79770502 -3.04313114 -4.54164007 -1.26796364 1.27911196 -1.28386396 -1.82586747 2.2395137 3.02244224 0.33062304 -4.83004839 1.49342676 2.37531502 1.40171205 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1684-40-8 2723754 144207497 A A 1,2,3,4-Tetrahydro-9-acridinamine hydrochloride Cl.Nc1c3ccccc3nc2CCCCc12 Tox21_200299 -NCGC00257735-01 196715403 tox21-ror-cho-viability-p1 set2 4 0.18139187 -0.28906965 2.0206116 -0.46859012 2.19170912 2.50666556 0.23134272 2.40665839 0.8619643 0.9828223 0.62875398 2.16761394 0.50951499 1.16241583 -0.46192617 1.202E-9 2.688E-9 6.0109999999E-9 1.344E-8 3.005E-8 6.7199999999E-8 1.503E-7 3.36E-7 7.5139999999E-7 0.0000016799999999 0.0000037569999999 0.000008401 0.00001878 0.000042 0.00009392 7646-78-8 24287 144207379 Tetrachlorostannane Cl[Sn](Cl)(Cl)Cl Tox21_200181 -NCGC00257791-01 196715413 tox21-ror-cho-viability-p1 set2 4 -1.53887341 -1.69535572 0.76334183 0.45704615 -1.74795792 -0.70708223 -0.08957474 -1.6298667 0.67019819 0.21676407 0.88349501 0.74223626 1.00096501 5.06659845 -0.19432748 1.1609999999E-9 2.595E-9 5.803E-9 1.298E-8 2.9019999999E-8 6.488E-8 1.451E-7 3.244E-7 7.254E-7 0.000001622 0.0000036269999999 0.0000081099999999 0.000018129999999 0.000040549999999 0.00009067 76-22-2 2537 144207435 A A Camphor CC2(C)C1CC(=O)C2(C)CC1 Tox21_200237 -NCGC00258235-01 196715807 tox21-ror-cho-viability-p1 set2 4 1.34800829 -0.33255019 -4.12444709 -0.57221029 1.70743439 -3.67219623 -3.09992354 -7.82560886 -3.43537132 -4.83237049 -0.67777646 0.05541657 -0.80826064 -2.54201464 -4.75312872 1.1469999999E-9 2.5649999999E-9 5.7359999999E-9 1.2829999999E-8 2.868E-8 6.413E-8 1.434E-7 3.2069999999E-7 7.1709999999E-7 0.000001603 0.000003585 0.000008017 0.00001793 0.000040079999999 0.00008963 3030-47-5 18196 144207879 A F 1,1,4,7,7-Pentamethyldiethylenetriamine CN(C)CCN(C)CCN(C)C Tox21_200681 -NCGC00257412-01 196718232 tox21-ror-cho-viability-p1 set2 4 1.88317942 2.16835328 0.39296675 -0.15905534 3.34227036 4.3233284 0.7349087 -0.63024985 -2.39069198 0.66467392 0.0913739 -1.67828704 -1.48986046 0.25147289 -0.32547488 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 39515-51-0 38284 144213665 Cc Ac 3-Phenoxybenzaldehyde O=Cc2cc(Oc1ccccc1)ccc2 Tox21_303348 -NCGC00247723-01 196716998 tox21-ror-cho-viability-p1 set2 4 20.7357968023 6.29292534 -1.79292534 4.5 3.1319983358 0.5215102317 0.1618894192 0.18282334 -4.26772638 -1.19839773 -0.51281961 0.23110158 -1.38319596 -3.09492163 1.77472356 -1.84210573 -4.86377489 -5.24410445 -3.78199892 2.89104686 2.09763248 5.69613769 1.377E-9 3.0799999999E-9 6.887E-9 1.54E-8 3.443E-8 7.699E-8 1.722E-7 3.8499999999E-7 8.608E-7 0.0000019249999999 0.000004304 0.000009624 0.000021519999999 0.000048119999999 0.00010759999999 74341-78-9 3057998 144206441 A A 1-(1,3-Benzodioxol-5-yl)-N-ethylpropan-2-amine hydrochloride Cl.CC(NCC)Cc1ccc2OCOc2c1 Tox21_112888 -NCGC00016423-15 196717413 tox21-ror-cho-viability-p1 set2 -3 33.4914596268 -87.1727730851 3.224654025 -83.9481190601 4.9549173134 0.9784568897 7.29E-8 2.00931366 1.64867369 0.67156733 3.75073776 1.52190758 3.38427391 4.4381234 3.12757649 3.07633143 3.71413393 2.91724464 11.86821857 0.04382063 -3.63238915 -73.63870093 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 303-45-7 3503 170466800 A (-)-Gossypol CC(C)c4c3cc(C)c(c1c(C)cc2c(c1O)c(C=O)c(O)c(O)c2C(C)C)c(O)c3c(C=O)c(O)c4O Tox21_110434_1 -NCGC00160558-02 196717829 tox21-ror-cho-viability-p1 set2 4 -3.23628296 -7.40206126 -2.90091398 -3.17040823 -1.20123502 -4.92088564 -2.03386887 -4.00645629 -1.67162271 -0.5779657 -4.17910724 -4.23192125 0.04101572 -0.11847085 -1.1110295 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 36141-82-9 37384 170466181 A Diamfenetide CC(=O)Nc1ccc(cc1)OCCOCCOc2ccc(cc2)NC(C)=O Tox21_111898_1 -NCGC00257263-01 196718235 tox21-ror-cho-viability-p1 set2 4 0.0038570779 7.20564352 -7.70564352 -0.5 4.9549173134 0.6706381438 0.0537099743 -7.6713696 -7.06238235 -1.38011053 4.25547405 0.56162078 -3.3343724 -1.06695703 0.07408499 0.30462845 -2.60648561 -0.24241852 0.06179989 -0.74631863 -2.05263014 -0.67840298 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 125-84-8 2145 144213805 A A Aminoglutethimide CCC1(CCC(=O)NC1=O)c2ccc(N)cc2 Tox21_303497 -NCGC00256844-01 196718645 tox21-ror-cho-viability-p1 set2 4 1.04492559 0.31230205 1.30899428 2.71555154 -0.00973528 2.29223094 1.76546527 3.55980909 0.65366018 1.81199764 3.13987797 4.38445775 0.2709419 0.07508188 2.63191204 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 122-68-9 61051 144212989 A A 3-Phenylpropyl cinnamate O=C(C=Cc1ccccc1)OCCCc2ccccc2 Tox21_302672 -NCGC00256331-01 196718652 tox21-ror-cho-viability-p1 set2 4 0.0485577337 -4.553247532 0 -4.553247532 4.9549173134 0.3658721974 0.3229663586 -0.20005434 3.94653434 -1.37217965 -2.7396364 0.62691458 -3.95183162 -2.97927739 -10.46103961 -8.23815067 -5.18235752 -5.82216897 -0.43053007 -2.81174457 -0.4449777 -0.00414015 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 528-44-9 10708 144213307 A A 1,2,4-Benzenetricarboxylic acid OC(=O)c1cc(ccc1C(=O)O)C(=O)O Tox21_302990 -NCGC00256395-01 196718655 tox21-ror-cho-viability-p1 set2 4 -1.96056284 -5.26738538 1.40176837 -12.72873818 -8.94866851 -8.64212347 -3.21218519 0.19504478 1.39928181 -0.96416621 -2.58850526 -2.76856356 -9.24698307 -5.60699567 -9.34387586 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.000018359999999 0.000041049999999 0.000091779999999 99-57-0 3613389 144213105 A A 2-Amino-4-nitrophenol Nc1cc(ccc1O)[N+]([O-])=O Tox21_302788 -NCGC00256910-01 196719068 tox21-ror-cho-viability-p1 set2 4 -4.93582926 -4.42631276 0.1213127 2.17468282 -0.16803816 -3.87026696 1.77116033 -2.1773585 1.7872959 -2.53520895 -1.44235802 2.04532334 -1.37385746 0.33414204 -2.25534803 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4265-16-1 61341 144212765 A F 2-Benzofurancarboxaldehyde O=Cc1cc2ccccc2o1 Tox21_302448 -NCGC00257126-01 196718668 tox21-ror-cho-viability-p1 set2 4 -1.44289494 3.27993492 3.85093618 0.33048036 2.62421649 4.1752405 -0.68000335 5.36283115 5.3469688 3.71408373 3.2784077 3.89178573 0.15112353 2.75769784 -0.73988603 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-92-5 6616 144213469 Fns Camphene CC2(C)C(=C)C1CCC2C1 Tox21_303152 -NCGC00181761-01 196717856 tox21-ror-cho-viability-p1 set2 4 3.91088245 2.25159738 1.52765981 2.69068538 3.72402553 2.92743153 4.57762732 2.43303117 1.75438884 4.140842 6.26441322 2.87703861 2.67443087 1.67035877 3.48187283 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 9066-59-5 144206496 A A Lysozyme hydrochloride Tox21_112943 -NCGC00090702-02 196717857 tox21-ror-cho-viability-p1 set2 4 2.17515041 -0.34768929 3.58286422 3.21568331 4.27072945 3.3095756 6.40859391 9.47822617 2.75655306 3.20365808 3.85583717 0.39414887 1.38299367 0.95816478 0.72182948 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00094521-05 196703521 tox21-ror-cho-viability-p1 set1 -2.4 48.5577336745 -22.5845558399 0.5 -22.0845558399 3.5117481694 0.9508093928 0.0000077695 -0.564752 1.27985567 2.41207068 0.79263226 -1.16473154 -0.37712647 0.95993493 -0.78870992 -0.51931613 2.59943179 2.46515449 -0.78450526 0.65837025 -7.59968217 -20.0704632 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00357243-01 196703510 tox21-ror-cho-viability-p1 set1 4 -0.72296001 -0.23364835 2.25191943 -0.22897527 0.73283305 -0.94267939 -2.18114457 -1.67603797 1.02190578 0.85374562 1.37694901 -2.74613251 -7.12882068 1.67433429 -2.22829527 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1885-29-6 72913 251919881 A 2-Aminobenzonitrile N#Cc1ccccc1N Tox21_304036 -NCGC00260500-01 196703514 tox21-ror-cho-viability-p1 set1 4 1.14356266 0.00835088 0.93901122 2.97797012 1.16301535 -6.36992483 3.21439012 4.22497471 1.39447496 -0.36839617 1.39751482 8.203611 2.81932722 3.1524965 4.7114394 1.214E-9 2.7139999999E-9 6.0679999999E-9 1.357E-8 3.034E-8 6.7849999999E-8 1.517E-7 3.3919999999E-7 7.586E-7 0.000001696 0.000003793 0.0000084809999999 0.00001896 0.000042399999999 0.000094819999999 994-28-5 70438 144210152 Fns Triethylgermanium chloride CC[Ge](Cl)(CC)CC Tox21_202954 -NCGC00260162-01 196703517 tox21-ror-cho-viability-p1 set1 -1.2 3.8531557681 -26.2265847759 -4 -30.2265847759 2.3331733767 0.8667488723 0.0012991769 -13.33261895 -2.77463732 1.15719683 -3.05146275 1.36059095 -11.94405913 -6.18986636 -1.35605713 -0.60403234 -7.99236988 -13.6711975 -30.5727992 -31.02215398 -29.32541305 -27.14520244 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 460092-03-9 11181836 144209812 A Ac Trihexyltetradecylphosphonium bis(trifluoromethylsulfonyl)imide FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.CCCCCC[P+](CCCCCC)(CCCCCC)CCCCCCCCCCCCCC Tox21_202614 -NCGC00260421-01 196703531 tox21-ror-cho-viability-p1 set1 4 2.21636566 0.10618003 -3.82494991 1.29163271 -3.82440284 -0.27141415 7.73370828 4.93239051 10.00579504 0.48559203 -0.27378952 4.18005615 -5.34332496 2.51876248 13.13781104 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.6299999999E-8 1.4829999999E-7 3.315E-7 7.4129999999E-7 0.0000016579999999 0.0000037059999999 0.000008288 0.00001853 0.000041439999999 0.00009266 89-02-1 2724588 144210073 A A 2,4-dinitro Benzenesulfonic acid dihydrate O.O.OS(=O)(=O)c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O Tox21_202875 -NCGC00260593-01 196703924 tox21-ror-cho-viability-p1 set1 4 4.72667273 -10.12790739 -0.90292034 0.40972966 -9.3384505 -0.26253792 -0.50095539 -5.74225557 1.56305211 -0.15562863 -0.84453434 1.76741821 2.46842703 -6.78523996 1.46050567 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49489 144210246 M M NTP Mix49 CT1 3-EQP Tox21_203048 -NCGC00258515-01 196701887 tox21-ror-cho-viability-p1 set1 4 -1.73614758 -2.11460251 -5.87347124 -2.90547046 -5.64737525 -3.09050788 -8.2652671 -6.8837547 -3.64390177 -7.27481773 -11.10884185 -2.67784991 -4.08068742 -4.18482986 -1.10041331 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.3169999999E-8 2.9459999999E-8 6.587E-8 1.4729999999E-7 3.294E-7 7.365E-7 0.0000016469999999 0.0000036819999999 0.000008234 0.000018409999999 0.00004117 0.00009206 94-07-5 7172 144208160 A A p-Synephrine OC(CNC)c1ccc(O)cc1 Tox21_200962 -NCGC00256279-01 196701471 tox21-ror-cho-viability-p1 set1 4 34.3762428541 -18.22638494 -0.5 -18.72638494 2.1210667061 0.9013220028 0.0003046157 -0.13578229 -1.33249359 -3.15248886 0.40073414 -0.05852645 3.71118811 0.1661316 -1.5998361 -1.08173631 0.49542376 0.10204616 -3.78717199 -3.58994128 -10.8587008 -17.27198745 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5495-84-1 79633 144211854 A A 2-(Propan-2-yl)-9H-thioxanthen-9-one CC(C)c1cc2C(=O)c3ccccc3Sc2cc1 Tox21_301537 -NCGC00258158-01 196701869 tox21-ror-cho-viability-p1 set1 4 43.4532278581 7.830053072 -0.330053072 7.5 3.1319983358 0.3779490769 0.2959788586 -0.14076737 0.8494631 -4.77772163 0.30867009 -0.12656165 0.42727999 4.91728234 1.7664161 -3.87250815 -0.17150763 0.40558778 0.87084574 -4.85837756 4.48348276 6.67931701 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 22113-88-8 10197675 144207802 A A Propylammonium nitrate CCCN.[O-][N+](=O)O Tox21_200604 -NCGC00244579-01 196701875 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -73.2878863206 1.1805679125 -72.1073184081 4.9549173134 0.9566817131 0.0000038164 -2.58181881 1.18329262 1.95552801 1.0542515 -2.32944551 7.57330968 -0.58411093 -2.0817727 2.53372623 2.22425709 4.30501658 -2.21407977 1.50720171 2.32016692 -58.81533207 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00258288-01 196701890 tox21-ror-cho-viability-p1 set1 4 -4.37578241 1.44820402 0.79926013 1.48207751 0.08565886 0.56934046 3.93438295 3.39712713 0.24273128 1.64913706 0.19786396 3.68080209 2.41476253 0.64963396 3.31796621 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.3169999999E-8 2.944E-8 6.583E-8 1.472E-7 3.291E-7 7.3599999999E-7 0.0000016459999999 0.00000368 0.000008228 0.000018399999999 0.000041139999999 0.000092 541-69-5 10941 144207932 A B 1,3-Benzenediamine dihydrochloride Cl.Cl.Nc1cccc(N)c1 Tox21_200734 -NCGC00258411-01 196702290 tox21-ror-cho-viability-p1 set1 4 1.80752733 2.96538336 -0.42809153 0.9282378 2.6334144 2.92639146 4.40887606 0.7381603 -2.22216069 2.84098055 0.86529494 0.87748236 4.42621999 3.20520158 3.95895017 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.613E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.00001848 0.00004133 0.00009242 630-10-4 6327594 144208055 A Selenourea NC(N)=[Se] Tox21_200857 -NCGC00255171-01 196728551 tox21-ror-cho-viability-p1 set3 -3 61.130564862 -49.1285852123 1.7162340259 -47.4123511864 3.6272481694 0.9221669645 0.0000897047 -5.06040574 2.98178957 -0.73916101 5.23473998 -0.37230402 -0.97087093 2.06190665 4.19005642 -0.68273804 7.10535646 4.64406522 0.38808969 0.74159129 -7.58761467 -38.56996302 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79794-75-5 3957 144211849 A A Loratadine Clc3cc4CCc1cccnc1C(=C2/CCN(CC2)C(=O)OCC)\c4cc3 Tox21_301532 -NCGC00257630-01 196730573 tox21-ror-cho-viability-p1 set3 4 1.1407672207 -9.45564252 4.5 -4.95564252 0.6999999999 0.5688530785 0.121033919 2.27248925 0.37396347 8.4972473 9.48095406 2.46117003 2.52360146 1.64829419 -0.76201929 1.40218974 2.39348933 -4.17997699 0 -7.8797021 -4.42663151 -2.31906571 1.1159999999E-9 2.4949999999E-9 5.5799999999E-9 1.248E-8 2.79E-8 6.238E-8 1.395E-7 3.119E-7 6.975E-7 0.0000015599999999 0.000003487 0.0000077979999999 0.00001744 0.00003899 0.00008718 2955-38-6 4890 144207274 A A Prazepam Clc1ccc3c(c1)C(=NCC(=O)N3CC2CC2)c4ccccc4 Tox21_200076 -NCGC00255889-01 196728135 tox21-ror-cho-viability-p1 set3 4 3.71626028 -4.40770832 -7.92785554 8.57796311 12.55797737 13.11286797 -7.23113095 10.27033404 7.31287753 16.79269539 17.34728742 1.0975089 4.94038383 7.0332005 2.41571167 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 591-80-0 61138 144212386 Ac 4-Pentenoic acid C=CCCC(=O)O Tox21_302069 -NCGC00163919-02 196728137 tox21-ror-cho-viability-p1 set3 4 0.7019703245 -4.728773864 0.5 -4.228773864 3.9899729863 0.6352700928 0.0745756814 0.23283529 4.63874651 -2.16867297 -0.29443219 0.18222239 0.52087671 1.22388403 0.62900636 -1.85940425 -5.3741613 -1.84804731 -6.02397822 -1.42849157 -5.67761301 -5.29799384 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00255554-01 196728149 tox21-ror-cho-viability-p1 set3 -2.2 61.130564862 -48.593842529 -2.534331505 -51.128174034 3.1319983358 0.9066020718 0.0002286522 -2.83794131 4.3371226 -2.08386699 -4.95130274 -0.86102466 -6.9970677 0.06929791 -2.57572765 -1.01157895 -6.84748083 -1.95952951 -0.15088216 -9.09534882 -11.33985667 -41.00619245 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99607-70-2 93528 144211878 A A Cloquintocet-mexyl CC(CCCCC)OC(=O)COc1ccc(Cl)c2cccnc12 Tox21_301561 -NCGC00255380-01 196728559 tox21-ror-cho-viability-p1 set3 4 61.130564862 -15.954596456 -1 -16.954596456 3.9294729863 0.4133137441 0.2595903124 1.66318432 0.71068595 0.6521569 -1.71118196 7.02069892 -6.11106003 -6.03567465 3.12376018 -9.92433095 0.95380455 0.69282475 -2.82170451 -0.56580688 -4.04274616 -14.12883038 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 500-38-9 4534 144212488 A A Nordihydroguaiaretic acid Oc2ccc(CC(C)C(C)Cc1ccc(O)c(O)c1)cc2O Tox21_302171 -NCGC00255525-01 196728560 tox21-ror-cho-viability-p1 set3 4 30.6378586933 -17.2236413 0 -17.2236413 0.8999999999 0.7348758683 0.0245112969 2.35441447 -0.62147242 -3.04068274 -0.93310154 -1.6159657 -1.23898638 0.5363819 2.95494264 0.8319416 -0.90560658 -1.7558965 -9.8554173 -3.34007796 -7.99055665 -15.18636775 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15457-05-3 27295 144211671 A A Fluorodifen [O-][N+](=O)c1ccc(cc1)Oc2ccc(cc2[N+]([O-])=O)C(F)(F)F Tox21_301354 -NCGC00255927-01 196728966 tox21-ror-cho-viability-p1 set3 4 64.917225168 21.027246508 -1.027246508 20 4.9549173134 0.3244741788 0.34409237 0.00071226 1.60426942 6.57805609 0.5669744 -2.96489941 -8.85780359 -7.41229632 -4.74243774 6.92869089 -9.18937209 -7.44934515 10.90110717 -0.50582254 0.00212928 14.97156022 1.024E-9 2.2899999999E-9 5.12E-9 1.145E-8 2.56E-8 5.7239999999E-8 1.28E-7 2.862E-7 6.4E-7 0.000001431 0.0000032 0.000007155 0.000016 0.00003578 0.000079999999999 31677-93-7 62884 144212161 A A Bupropion hydrochloride Cl.O=C(c1cc(Cl)ccc1)C(C)NC(C)(C)C Tox21_301844 -NCGC00258666-01 196729385 tox21-ror-cho-viability-p1 set3 4 -3.50710625 2.67464056 4.76643229 5.81809299 2.20696186 4.64529872 0.94299011 4.35121613 -3.93232852 5.82973323 1.93531698 2.38775589 -0.71594665 1.54011752 2.52389129 1.1449999999E-9 2.559E-9 5.7229999999E-9 1.28E-8 2.861E-8 6.398E-8 1.431E-7 3.199E-7 7.154E-7 0.0000016 0.000003577 0.000007998 0.000017879999999 0.00003999 0.00008942 79-11-8 300 144208312 A A Chloroacetic acid ClCC(=O)O Tox21_201114 -NCGC00258427-01 196729390 tox21-ror-cho-viability-p1 set3 4 -80.18274818 1.20468908 -2.02655687 2.00495975 0.79027452 1.94285507 2.88804024 1.31115314 3.49621399 2.92136973 -0.33520714 0.90146004 1.06117719 1.52508631 1.78313852 1.2319999999E-9 2.754E-9 6.158E-9 1.3769999999E-8 3.079E-8 6.885E-8 1.54E-7 3.443E-7 7.698E-7 0.000001721 0.000003849 0.000008606 0.00001924 0.00004303 0.00009622 121-44-8 8471 144208071 FNS Triethylamine CCN(CC)CC Tox21_200873 -NCGC00257580-01 196716657 tox21-ror-cho-viability-p1 set2 -2.1 48.5577336745 -78.3254677856 -1.619402184 -79.9448699696 3.0654483358 0.965471218 0.0000010747 -1.4906487 -2.6046554 -9.93718378 0.36317333 -0.74994014 0.78124156 -1.49905767 0.48385692 -8.57942693 0.39495871 -0.40379689 -1.82829765 0.56223072 -31.64776139 -70.41278028 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 10190-99-5 154914 144207224 A A Sodium aristolochate-I [Na+].[O-]C(=O)c3cc4OCOc4c2c3c(cc1c2cccc1OC)[N+]([O-])=O Tox21_200026 -NCGC00254793-01 196720405 tox21-ror-cho-viability-p1 set3 4 -2.9916752 -5.78864651 1.88545825 4.4618381 5.55760814 1.22361746 -2.38998922 11.132103 0.57071834 2.03968068 9.16292798 10.67342379 -5.43226023 -2.43482096 -6.66707907 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 34256-82-1 1988 144211206 A A Acetochlor ClCC(=O)N(COCC)c1c(C)cccc1CC Tox21_300889 -NCGC00247718-01 196717470 tox21-ror-cho-viability-p1 set2 4 -11.08809146 -8.20799124 -4.94042629 -9.03451842 -3.07373735 -9.808711 -0.19717161 -0.75028784 -10.47113828 -13.70824386 -10.5385788 -4.66052553 -4.83398278 -5.2358263 -10.68457632 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 1934-71-0 200391 144206434 A A 1-Phenylcyclohexylamine hydrochloride Cl.NC1(CCCCC1)c2ccccc2 Tox21_112881 -NCGC00258315-01 196716650 tox21-ror-cho-viability-p1 set2 4 1.73999129 2.78519111 0.70279339 -0.7323444 -1.12439259 3.0139056 -0.42478632 -1.12412302 -1.33374521 -0.46232956 1.04904365 2.68609873 2.58205634 1.64288608 1.08393121 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004128 0.00009231 93-72-1 7158 144207959 A Ac 2-(2,4,5-Trichlorophenoxy)propionic acid Clc1cc(OC(C)C(=O)O)c(Cl)cc1Cl Tox21_200761 -NCGC00014993-12 196717075 tox21-ror-cho-viability-p1 set2 4 11.8832183006 -14.378334672 1 -13.378334672 1.0999999999 0.5375154941 0.1631857863 -0.12691099 -0.89454056 0.33016023 0 -1.79688677 6.18554005 1.2062405 7.28722359 -1.23158653 -0.71902675 -2.26847089 -2.86436105 -2.96661388 -9.48194556 -3.31159096 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123-99-9 2266 170465358 A Nonanedioic acid O=C(O)CCCCCCCC(=O)O Tox21_110063_1 -NCGC00263878-02 196717486 tox21-ror-cho-viability-p1 set2 4 -2.12126528 -5.28958214 -4.33226914 -1.43823156 -1.30356112 -0.4081632 -1.06345378 -2.52538782 -1.59419177 -3.25009017 -2.71982712 -4.29274653 -5.04464213 -1.94940543 1.60280109 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71125-38-7 54677470 170464857 A Meloxicam Cc3cnc(NC(=O)C2=C(O)c1ccccc1S(=O)(=O)N2C)s3 Tox21_111734_1 -NCGC00263585-01 196717491 tox21-ror-cho-viability-p1 set2 4 2.26591789 -1.43684707 0.13055738 2.16719743 2.71378609 1.21748874 2.84682487 2.95747317 -0.58185942 0.33549523 1.75385786 0.76210858 1.85359912 -1.38629233 2.04610278 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 74711-43-6 5720 170465838 A Zaltoprofen O=C(O)C(C)c1cc2CC(=O)c3ccccc3Sc2cc1 Tox21_113634_1 -NCGC00167459-02 196717893 tox21-ror-cho-viability-p1 set2 4 -4.52734021 -0.87053271 -2.42916807 -1.2147985 -2.07156285 -0.92499248 -1.67780988 -1.49720314 -1.94659931 -0.63953071 1.26774297 -1.76103858 0.80567777 0.20664465 1.02621399 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 113-07-5 64647 170465313 A Doxapram hydrochloride Cl.O=C4N(CC)CC(CCN1CCOCC1)C4(c2ccccc2)c3ccccc3 Tox21_112463_1 -NCGC00247726-01 196717896 tox21-ror-cho-viability-p1 set2 2.1 107.8588957486 91.1184073511 6.3581696909 97.476577042 2.7202212143 0.9137648602 0.0001519851 1.32479674 3.10287923 3.37005259 14.18613953 4.84081168 4.68984658 15.66235205 1.78046382 -0.95122438 5.21833019 3.09017436 15.52440242 13.58198578 21.9207876 74.05238615 1.894E-9 4.2349999999E-9 9.4699999999E-9 2.118E-8 4.735E-8 1.0589999999E-7 2.368E-7 5.294E-7 0.0000011839999999 0.000002647 0.0000059189999999 0.00001324 0.00002959 0.00006618 0.000148 68677-26-9 60196335 144206445 B B N,N-Dimethyltryptamine fumarate O=C(O)/C=C/C(=O)O.CN(C)CCc2cnc1ccccc12 Tox21_112892 -NCGC00015012-09 196717907 tox21-ror-cho-viability-p1 set2 2.1 10.5909294584 68.9134182607 0.902226794 69.8156450547 2.1876167061 0.983111184 1.78E-8 0.08295998 -2.04264193 0.8908633 0.31624013 0.60130942 5.90608975 -0.45643332 -0.57481954 1.48800893 5.86534656 0.23672407 5.87863788 33.91999992 52.12130667 69.42338697 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60719-82-6 2081 170466583 A Alaproclate Clc1ccc(CC(C)(C)OC(=O)C(C)N)cc1 Tox21_110066_1 -NCGC00095074-05 196717910 tox21-ror-cho-viability-p1 set2 4 0.3757803576 -3.5403514879 1.5 -2.0403514879 4.9549173134 0.4018361746 0.274787495 0.02694107 0.55675548 1.18742119 -1.04646568 -0.20634294 0.870025 3.52022131 6.25238854 -0.02477658 -4.13278205 -5.03362624 -1.36167938 -1.52275147 0.07409401 -0.47820387 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 111-48-8 5447 170466604 F 2,2'-Thiobisethanol OCCSCCO Tox21_111413_1 -NCGC00256921-01 196718314 tox21-ror-cho-viability-p1 set2 4 0.16489939 1.46840479 0.09534242 -0.03309192 2.40173735 -0.03275396 0.28021799 3.17387333 2.15811282 0.38467435 1.86018318 4.61432816 1.51940425 2.93185144 3.78013125 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 13679-70-4 61663 144212953 A F 5-Methyl-2-thiophenecarboxaldehyde Cc1ccc(C=O)s1 Tox21_302636 -NCGC00256410-01 196718315 tox21-ror-cho-viability-p1 set2 -2.1 17.2289340586 -74.7657870995 -5.5871615709 -80.3529486704 1.4641 0.9663912039 9.226E-7 -3.58157114 -4.62789996 -3.97501719 -2.43096309 -9.21974965 -7.78264127 -6.48469606 -8.82298963 -5.17365254 -9.90433387 -14.5354663 -16.58066306 -55.32702026 -58.63841691 -74.13102172 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 118-75-2 8371 144213338 F Chloranil ClC=1C(=O)C(Cl)=C(Cl)C(=O)C=1Cl Tox21_303021 -NCGC00259431-01 196721153 tox21-ror-cho-viability-p1 set3 4 -8.12230462 -3.97837494 -9.87390737 -4.14193485 -11.00633569 -9.31078848 -6.00059114 -10.42823903 -4.55227011 -3.54077407 -7.23818318 -10.525018 -9.40659222 -7.67795799 -8.68573989 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 7705-08-0 166033 144209080 Ferric chloride [Fe+3].[Cl-].[Cl-].[Cl-] Tox21_201882 -NCGC00255081-01 196719964 tox21-ror-cho-viability-p1 set3 4 4.99518198 -7.84653902 6.42314497 0.26300392 3.46128602 1.86895473 10.00495142 -7.39932086 4.58332594 -6.10491758 7.24079349 -9.11940265 18.0125101 8.13255959 2.12068185 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21282-97-3 88855 144211500 A A 2-[Methacryloyloxy]ethyl acetoacetate O=C(CC(C)=O)OCCOC(=O)C(=C)C Tox21_301183 -NCGC00254894-01 196719542 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -80.9299557081 -0.5545913119 -81.48454702 4.9549173134 0.9455652719 0.0000133575 -1.31395737 -7.36989564 2.0126686 1.67808437 0.86195332 0.27981889 3.77385607 -6.44508775 -7.96199095 3.24690845 4.28833612 3.56399804 -3.26673405 -6.85855775 -66.257577 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10347-81-6 71478 144211309 A A Maprotiline hydrochloride Cl.CNCCCC24CCC(c1ccccc12)c3ccccc34 Tox21_300992 -NCGC00090704-03 196719545 tox21-ror-cho-viability-p1 set3 4 3.4376242854 27.5418191439 -15.5418191439 12 0.2 0.5901283205 0.1043309712 -8.84802486 -17.11818262 -7.35518486 -1.69366856 -10.25872771 -8.5121934 -6.95669483 -3.39441486 -1.72464472 -4.54160573 -3.7557119 -2.76587471 -1.053852 8.68926417 0.18709846 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00254245-01 196719955 tox21-ror-cho-viability-p1 set3 2.4 2.4336516212 26.7376510679 -15.2376510679 11.5 0.3 0.7424256014 0.0218635752 -12.43151808 -18.53137589 -8.5989548 -4.67052916 -12.90229804 -8.34076751 -6.08508035 -9.80716347 0.19130061 -2.69190867 -0.02472389 -0.53012473 -0.81886429 0.18262283 9.42247996 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2144-53-8 75066 144210924 A Tridecafluorohexylethyl methacrylate FC(F)(CCOC(=O)C(=C)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300607 -NCGC00254092-01 196720377 tox21-ror-cho-viability-p1 set3 4 0.0611305649 -8.5933782479 6.5 -2.0933782479 0.6999999999 0.7170020523 0.0314215456 7.07923038 2.90415213 6.33242173 6.98740307 1.64617022 1.20719958 -0.29204907 0.71972775 0.39532547 -0.3217459 -3.88703193 1.33228987 -4.66114854 -3.13261426 -0.25027293 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-64-5 323 144210377 A A Coumarin O=C1C=Cc2ccccc2O1 Tox21_300057 -NCGC00254739-01 196720774 tox21-ror-cho-viability-p1 set3 4 -1.08721911 -0.73563095 0.3078375 -9.07398139 -0.06965637 4.55527392 -0.05142869 -1.01356288 -0.17823529 0.75645231 7.60867287 0.94248609 0.93684524 0.24900746 -7.41782499 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68052-23-3 107080 144211152 A A 2,2,4-Trimethylpentane-1,3-diyl dibenzoate CC(C)C(OC(=O)c1ccccc1)C(C)(C)COC(=O)c2ccccc2 Tox21_300835 -NCGC00163843-03 196720777 tox21-ror-cho-viability-p1 set3 4 0.004402638 8.8078526919 -8.8078526919 0 4.9549173134 0.4430731556 0.2319180077 -4.0875754 -14.00654391 1.09055889 0.51048765 -0.3472169 -2.12828516 2.4003754 -2.82076311 1.66797764 1.77587433 2.07992871 -4.05376108 -2.79784112 -4.44798275 3.87181043 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00254192-01 196720778 tox21-ror-cho-viability-p1 set3 4 0.0181966494 -13.5474636841 16 2.4525363159 0.7999999999 0.4951659006 0.1828882267 9.12728636 16.76653905 19.07599112 10.09126606 -0.80844646 8.14579226 7.78029393 -0.65544313 7.03504799 7.26874967 -1.05509528 -1.28955307 3.56576493 4.84390484 3.00474 1.1219999999E-9 2.509E-9 5.61E-9 1.254E-8 2.8049999999E-8 6.272E-8 1.402E-7 3.1359999999E-7 7.012E-7 0.000001568 0.0000035059999999 0.00000784 0.00001753 0.0000392 0.00008765 184653-84-7 193943 144210533 A A Carabersat Fc1ccc(cc1)C(=O)N[C@H]2c3cc(ccc3OC(C)(C)[C@@H]2O)C(C)=O Tox21_300213 -NCGC00254102-01 196720781 tox21-ror-cho-viability-p1 set3 4 3.45195155 -0.67761158 2.22268097 0.24014933 3.77234791 1.38131272 2.09323856 2.13814236 1.46102701 5.81084738 1.1634744 6.2182443 0.58178625 2.14421719 1.45134242 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59756-60-4 43079 144210520 A A Fluridone CN1C=C(C(=O)C(=C1)c2cc(ccc2)C(F)(F)F)c3ccccc3 Tox21_300200 -NCGC00253947-01 196720786 tox21-ror-cho-viability-p1 set3 4 0.0076958822 7.321077672 -8.821077672 -1.5 1.5094870999 0.5632591886 0.1266350329 -7.38132693 -9.85089806 -4.39113 -3.64516274 -4.42445532 -1.34425525 1.57808388 0.14571575 -0.44972362 1.41673498 -2.91322481 -0.01106741 -5.55699302 -3.76135719 -3.30143124 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 199171-88-5 9799979 144210527 A A CP-401387 O=C(O)[C@H]1CC[C@@](C#N)(CC1)c2ccc3c(c2)n(nc3CC)C4CCCCC4 Tox21_300207 -NCGC00357145-01 196703532 tox21-ror-cho-viability-p1 set1 4 -0.18511044 4.16485919 -0.47465486 -2.40450962 -4.0283465 2.24141095 -0.32874745 0.35512297 5.99256997 1.68507269 -1.07413145 3.57492459 2.11134587 1.16641289 0.25760964 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 70630-17-0 11150163 251919713 F Metalaxyl-M C[C@@H](N(C(=O)COC)c1c(C)cccc1C)C(=O)OC Tox21_303887 -NCGC00259497-01 196705588 tox21-ror-cho-viability-p1 set1 4 -1.12089588 -0.79387811 7.2061045 -6.86127135 -1.91273327 1.06843157 0.23729747 -9.12126976 1.07034302 -10.46521331 1.67888475 -5.03247379 2.17609339 -0.37407042 5.62481324 1.204E-9 2.692E-9 6.02E-9 1.346E-8 3.01E-8 6.7309999999E-8 1.5049999999E-7 3.365E-7 7.5249999999E-7 0.000001683 0.000003763 0.000008413 0.000018809999999 0.000042069999999 0.00009406 125-33-7 4909 144209146 A A Primidone CCC1(C(=O)NCNC1=O)c2ccccc2 Tox21_201948 -NCGC00260159-01 196703534 tox21-ror-cho-viability-p1 set1 4 1.23779171 1.27455797 -1.04704124 6.05706462 3.56555541 -4.69947844 3.08552529 -0.03653103 4.25256847 0.36158975 0.40578399 1.68002627 3.47351008 2.15179328 6.12071079 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 8052-41-3 144209809 ND Stoddard solvent Tox21_202611 -NCGC00260395-01 196703140 tox21-ror-cho-viability-p1 set1 4 5.91828721 0.51738157 -5.75839465 0.09131882 -1.01091394 -6.35258364 -12.73658517 -4.56391203 -3.21325003 0.52575624 -1.90664455 1.56504478 1.73620065 -5.71331736 4.87246307 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9569999999E-8 6.613E-8 1.479E-7 3.306E-7 7.394E-7 0.0000016529999999 0.000003697 0.000008266 0.00001848 0.00004133 0.00009242 589-10-6 68526 144210047 A F Benzene,(2-bromoethoxy)- BrCCOc1ccccc1 Tox21_202849 -NCGC00357234-01 196703533 tox21-ror-cho-viability-p1 set1 4 1.62483936 -2.11525751 -1.31132907 -1.54092765 1.09747583 2.40173873 -2.30006121 -0.49216392 -0.24002772 -4.5600203 -0.25264775 0.32334216 0.94283858 2.43210581 3.62065757 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7786-61-0 332 251919945 B 2-Methoxy-4-vinylphenol Oc1ccc(cc1OC)C=C Tox21_304024 -NCGC00260598-01 196703545 tox21-ror-cho-viability-p1 set1 4 1.75382423 -0.24691174 6.07152627 3.84918815 1.58917245 -8.48310744 1.49442352 1.83213895 -0.23321434 1.61776589 3.26400772 -3.12272233 -1.82332713 -2.13491178 -0.13962369 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49494 144210251 M M NTP Mix1 AR1 4-EQP Tox21_203053 -NCGC00260632-01 196703953 tox21-ror-cho-viability-p1 set1 4 3.31999821 -1.83221406 -0.22991762 -1.25151159 -2.46851516 2.55900641 3.49466968 -0.66663415 -1.73979054 3.53707346 1.03299525 3.43423994 1.90684714 4.03456589 1.80370505 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49528 144210285 M M NTP Mix108 ER1 10-EQC Tox21_203087 -NCGC00357218-01 196703956 tox21-ror-cho-viability-p1 set1 -3 61.130564862 -50.5342466601 1.7899534205 -48.7442932396 3.6272481694 0.9758118821 1.423E-7 3.0741586 1.6670217 2.23556962 2.74207709 0.91399591 0.21059703 1.41389927 0.17926284 4.62192156 2.7580159 -0.76222413 2.47175607 -2.58674205 -7.03420325 -39.57901003 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1571-75-1 623849 251919835 A 4,4'-(1-Phenylethylidene)bisphenol CC(c1ccc(O)cc1)(c2ccccc2)c3ccc(O)cc3 Tox21_303999 -NCGC00260324-01 196703958 tox21-ror-cho-viability-p1 set1 4 5.34265977 2.52061713 0.07006946 1.89287407 0.53930969 1.69116551 -8.36854703 -9.22254451 7.55231495 -0.43813629 4.99170668 -6.75634369 0.24908482 5.50943182 8.81985595 5.816E-11 1.301E-10 2.908E-10 6.503E-10 1.454E-9 3.2509999999E-9 7.27E-9 1.6259999999E-8 3.635E-8 8.128E-8 1.8179999999E-7 4.064E-7 9.088E-7 0.0000020319999999 0.0000045439999999 7783-18-8 6096946 144209975 Ac Ammonium thiosulfate [NH4+].[NH4+].[O-]S([S-])(=O)=O Tox21_202777 -NCGC00090962-05 196703963 tox21-ror-cho-viability-p1 set1 4 -0.20318386 -2.48481911 -2.60739357 -2.84038503 0.01663726 2.24777188 2.65701457 -4.87705345 1.32843285 1.15459 6.98704288 0.91070648 -3.16425399 0.65833752 -1.93194131 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00260325-01 196703971 tox21-ror-cho-viability-p1 set1 4 0.2777867417 7.852658684 -5.852658684 2 2.5884283767 0.4773489499 0.1995928236 1.55443798 -3.29525884 -11.20378935 -3.89117758 -3.5202643 -9.06073008 -7.64263741 -3.26241926 -12.37721557 -4.72720428 -2.40881771 0.38607049 0.64341171 0.55800312 5.01971762 7.409E-11 1.6569999999E-10 3.704E-10 8.283E-10 1.8519999999E-9 4.142E-9 9.261E-9 2.0709999999E-8 4.63E-8 1.035E-7 2.315E-7 5.177E-7 0.000001158 0.000002588 0.000005788 3012-65-5 5284342 144209976 Fns Ammonium citrate (2:1) [NH4+].[NH4+].O=C([O-])CC(O)(CC(O)=O)C([O-])=O Tox21_202778 -NCGC00260572-01 196703972 tox21-ror-cho-viability-p1 set1 4 26.6032120037 13.8206931119 -5.8206931119 8 2.3531167061 0.4016540234 0.271208188 -3.31622195 -7.1080545 1.08848158 -4.35330612 -4.94446846 -7.86241107 -5.66014325 -2.22624208 -2.31927145 -11.13873977 -12.76724426 -8.90328079 -1.94739543 -1.35908224 5.27460388 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49468 144210225 M M NTP Mix80 CT1 62-EQP Tox21_203027 -NCGC00247355-02 196704367 tox21-ror-cho-viability-p1 set1 4 4.04177238 -2.76458694 -0.16003189 -0.35976026 -1.29505109 -0.94844206 -1.77544349 -2.94583946 -2.37499222 -2.39298271 0.51218605 1.41453456 -1.3517686 -3.52292802 -0.75814188 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 60561-17-3 65494 144206432 A A Sufentanil citrate O=C(O)C(O)(CC(=O)O)CC(=O)O.CCC(=O)N(c1ccccc1)C2(COC)CCN(CC2)CCc3cccs3 Tox21_112879 -NCGC00021125-03 196704365 tox21-ror-cho-viability-p1 set1 4 2.06502178 2.99618156 0.14118253 3.01670103 -1.56801681 3.35102611 1.59208439 2.09387734 0.40796658 -0.84412089 1.66618676 0.08279405 0.1377091 1.27602098 2.94018878 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15307-79-6 5018304 170464642 A Diclofenac sodium [Na+].Clc2cccc(Cl)c2Nc1ccccc1CC([O-])=O Tox21_110770_1 -NCGC00258708-01 196729802 tox21-ror-cho-viability-p1 set3 4 -0.354045 2.83044635 2.34610114 0.67822103 1.13468875 3.01261649 0.20381799 0.33502207 3.64839822 1.06365241 1.16689252 3.15748342 -1.43031285 0.95029518 -1.57557167 1.1759999999E-9 2.63E-9 5.8799999999E-9 1.315E-8 2.94E-8 6.574E-8 1.4699999999E-7 3.2869999999E-7 7.35E-7 0.0000016439999999 0.0000036749999999 0.000008218 0.000018379999999 0.00004109 0.00009188 56425-91-3 73668 144208354 A A Flurprimidol OC(C(C)C)(c1cncnc1)c2ccc(OC(F)(F)F)cc2 Tox21_201156 -NCGC00257922-01 196729819 tox21-ror-cho-viability-p1 set3 4 5.4593504274 -4.9335472679 0 -4.9335472679 4.9549173134 0.3988324623 0.2925064285 -2.37186834 0.49065003 -0.99394557 -2.69722412 0.51249628 -0.10907895 -0.77178495 -1.31237629 1.22428958 7.78879452 0.58407607 -6.61128939 -3.4754555 -4.56520569 1.07938655 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004128 0.00009231 82985-35-1 157882 144207566 FNS 3-(Trimethoxysilyl)-N-[3-(trimethoxysilyl)propyl]propan-1-amine CO[Si](CCCNCCC[Si](OC)(OC)OC)(OC)OC Tox21_200368 -NCGC00258116-01 196729405 tox21-ror-cho-viability-p1 set3 4 0.70047721 1.17809701 -0.81197256 1.01047501 1.49100338 2.54226829 0.19915321 1.041439 -0.27040163 -1.66683598 -0.40228783 0.96033072 -0.50636579 0.8636363 0.24131391 1.173E-9 2.622E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.329E-7 0.0000016389999999 0.000003665 0.000008195 0.00001832 0.000040969999999 0.00009162 36861-47-9 60196294 144207760 A F Enzacamene CC3(C)C2CCC3C(=Cc1ccc(C)cc1)C2=O Tox21_200562 -NCGC00257822-01 196729801 tox21-ror-cho-viability-p1 set3 4 -3.68310358 0.40849479 -0.67025673 -4.30316466 -1.49460083 -1.99982522 -0.03950697 0.11862273 -0.36123379 -1.44154883 -5.92314598 -4.77545398 -5.58149916 0.61831072 -1.43536737 1.163E-9 2.5999999999E-9 5.8139999999E-9 1.2999999999E-8 2.9069999999E-8 6.5E-8 1.453E-7 3.25E-7 7.267E-7 0.000001625 0.000003634 0.000008125 0.00001817 0.000040619999999 0.00009084 101-68-8 7570 144207466 D 4,4'-Diphenylmethane diisocyanate O=C=N/c1ccc(cc1)Cc2ccc(/N=C=O)cc2 Tox21_200268 -NCGC00258232-01 196729822 tox21-ror-cho-viability-p1 set3 4 -1.23544861 -6.31972909 -1.07243066 0.1323601 0.38011888 -29.09664321 -4.85966555 -1.54483674 -0.96687659 0 0 -12.37407033 -10.21605182 -4.66992271 -5.19459178 1.1919999999E-9 2.6659999999E-9 5.962E-9 1.333E-8 2.981E-8 6.6659999999E-8 1.491E-7 3.3329999999E-7 7.4529999999E-7 0.0000016669999999 0.000003726 0.000008333 0.00001863 0.00004166 0.00009316 88-53-9 6936 144207876 A A 2-Amino-5-chloro-4-methylbenzenesulfonic acid Nc1cc(C)c(Cl)cc1S(=O)(=O)O Tox21_200678 -NCGC00258493-01 196730215 tox21-ror-cho-viability-p1 set3 4 -2.92740674 0.116274 -1.09847007 -0.45790305 -1.26538021 -2.92550246 -2.52345716 -1.17294993 -0.28101311 -0.87056046 -0.90113482 0 -7.08214629 -5.62874671 -8.88348672 1.187E-9 2.654E-9 5.9329999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.4829999999E-7 3.317E-7 7.417E-7 0.0000016579999999 0.000003708 0.000008292 0.00001854 0.00004146 0.000092709999999 13014-18-1 25607 144208137 A Ac 2,4-Dichloro-1-(trichloromethyl)benzene ClC(Cl)(Cl)c1ccc(Cl)cc1Cl Tox21_200939 -NCGC00257575-01 196730217 tox21-ror-cho-viability-p1 set3 4 12.3461487878 7.4601142799 -1.4601142799 6 3.9899729863 0.5443923382 0.1412639214 -2.00559689 1.33381606 -2.27608935 -0.25562296 0.2625008 -0.40757566 -2.31989068 0.25971266 -0.44550671 -2.59404593 -6.2167619 -4.62406907 9.9961293 5.09148968 3.02013517 1.1919999999E-9 2.6649999999E-9 5.959E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.331E-7 7.449E-7 0.0000016659999999 0.000003725 0.0000083279999999 0.00001862 0.00004164 0.00009312 3682-19-7 3543259 144207219 A A 6-Nitrophthalhydrazide [O-][N+](=O)c1ccc2c(c1)C(=O)NNC2=O Tox21_200021 -NCGC00258336-01 196730225 tox21-ror-cho-viability-p1 set3 4 39.7504861442 10.5152901599 -2.5152901599 8 0.6999999999 0.4080713247 0.2664573921 0.43346222 -6.2627418 -3.88496136 0.04522222 0.16433205 -1.49449317 -5.72271373 -4.56382369 -5.10081392 3.96729157 0.25670743 0.50356336 -0.50806819 2.00750891 5.5830766 1.21E-9 2.706E-9 6.051E-9 1.353E-8 3.0259999999E-8 6.766E-8 1.5129999999E-7 3.3829999999E-7 7.564E-7 0.000001691 0.000003782 0.000008457 0.00001891 0.000042289999999 0.00009455 4169-04-4 20129 144207980 A A 2-Phenoxy-1-propanol CC(CO)Oc1ccccc1 Tox21_200782 -NCGC00257691-01 196730230 tox21-ror-cho-viability-p1 set3 4 -6.95493807 -5.9510835 0.43485021 -0.14577093 -0.47069896 -0.82426289 0.77823337 1.20607372 0.81091462 1.40867343 1.71728266 0.3335426 0.33137245 0.21401656 -0.53114879 1.162E-9 2.599E-9 5.812E-9 1.2999999999E-8 2.9059999999E-8 6.4979999999E-8 1.453E-7 3.249E-7 7.265E-7 0.000001624 0.000003632 0.000008122 0.00001816 0.00004061 0.000090809999999 122-04-3 8502 144207335 A F 4-Nitrobenzoyl chloride O=[N+]([O-])c1ccc(cc1)C(Cl)=O Tox21_200137 -NCGC00258600-01 196730231 tox21-ror-cho-viability-p1 set3 -2.4 26.4198450203 -22.198752296 1.5 -20.698752296 4.9549173134 0.9540460785 0.0000053186 0.98745015 -1.07746901 1.1672744 0.05528509 2.81402446 1.59446426 3.43602646 -0.93787214 4.31037982 2.06533636 2.74750963 -0.88614059 -1.45867554 -18.20389047 -20.58229358 1.148E-9 2.566E-9 5.738E-9 1.2829999999E-8 2.8689999999E-8 6.4159999999E-8 1.4349999999E-7 3.2079999999E-7 7.173E-7 0.000001604 0.000003587 0.00000802 0.00001793 0.0000401 0.000089659999999 95-85-2 7265 144208245 A A 2-Amino-4-chlorophenol Nc1cc(Cl)ccc1O Tox21_201047 -NCGC00091839-03 196730234 tox21-ror-cho-viability-p1 set3 -2.4 21.6899429044 -24.603015972 -1 -25.603015972 1.372261 0.8831875754 0.0006949802 -0.27955837 -4.34060744 -4.74833464 -2.49403848 0.82550843 -1.06460531 1.90317801 -3.33494089 0.47664825 2.44689684 -0.28168985 -8.46469851 -13.34533856 -15.18556582 -24.25251331 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00257675-01 196730309 tox21-ror-cho-viability-p1 set3 4 -0.20813477 -0.10424217 0.57936957 -4.77933637 3.35079626 0.7737305 2.63944612 3.04372773 0.96665968 0.17381937 1.82073857 2.1517079 1.89901519 0.22753332 -6.51701032 1.187E-9 2.654E-9 5.9329999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.4829999999E-7 3.317E-7 7.417E-7 0.0000016579999999 0.000003708 0.000008292 0.00001854 0.00004146 0.000092709999999 2113-57-7 16449 144207319 A A 3-Bromobiphenyl Brc1cc(ccc1)c2ccccc2 Tox21_200121 -NCGC00254921-01 196719590 tox21-ror-cho-viability-p1 set3 4 0.0608819825 13.241606588 -12.741606588 0.5 1.3987170999 0.7745100985 0.0130410675 -12.01066859 -15.34150826 -5.58720557 -16.86800549 -7.68398876 -5.4397721 -2.79370246 -0.37106345 -0.28394535 -0.1253572 -3.31009918 1.52386232 -2.08088553 3.29216605 4.28943031 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 1117-86-8 14231 144211336 A A 1,2-Octanediol OCC(O)CCCCCC Tox21_301019 -NCGC00256726-01 196719154 tox21-ror-cho-viability-p1 set2 -2.4 68.5896218971 -29.340150508 -2.5 -31.840150508 3.9899729863 0.8052738399 0.0071352379 0.37746232 -4.05070032 -2.43119545 -5.49092546 -4.56412727 -7.48717519 -5.57702985 -1.97168513 -3.92236273 -3.12453987 2.50374779 1.66626155 0.22889686 -5.66034847 -24.86679209 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-17-5 7007 144212915 A A 2,2,2-Trichloro-1-phenylethyl acetate ClC(Cl)(Cl)C(OC(C)=O)c1ccccc1 Tox21_302598 -NCGC00163771-03 196719156 tox21-ror-cho-viability-p1 set2 4 1.24376107 -0.96740761 -0.7607822 3.95970861 1.05267651 2.33783504 1.85903506 3.66838842 2.92941629 -0.48022085 0.68738962 7.20090132 3.48748229 0.89207075 3.15648984 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.593E-8 1.474E-7 3.297E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008241 0.000018429999999 0.00004121 0.00009214 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00091044-02 196719586 tox21-ror-cho-viability-p1 set3 4 -0.2299322 2.47051567 5.63295171 9.32916258 7.74314064 -1.30557303 6.13149255 -4.08512092 2.48018158 2.29545463 4.45013044 -1.39490412 -82.21084033 0.95230422 -0.57092172 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00254581-01 196719994 tox21-ror-cho-viability-p1 set3 -1.2 25.354718712 -36.2885390888 -4.734691268 -41.0232303568 4.9549173134 0.8596102763 0.0016580107 -12.41456026 -16.32687892 -2.98939006 -1.11258253 -10.18221197 -5.31775427 -0.74082747 -4.50584447 -4.429359 -3.68374701 -2.70791012 -0.33606244 -11.38185921 -43.65022584 -36.31177093 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 3025-30-7 5281162 144210990 FC Ethyl (2E,4Z)-deca-2,4-dienoate O=C(\C=C\C=C/CCCCC)OCC Tox21_300673 -NCGC00254158-01 196720004 tox21-ror-cho-viability-p1 set3 4 12.1971512362 -25.982779668 7.5 -18.482779668 2.2526478767 0.8653716614 0.0013646967 -0.34353968 4.59252031 7.6036676 11.81078662 3.79541262 13.95212509 7.68739844 3.92983339 12.47816151 7.31868053 9.77725023 0.58631307 -13.0858578 -16.7849654 -17.90231639 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-59-2 7447 144210442 A A 2-Methoxy-5-nitroaniline Nc1cc(ccc1OC)[N+]([O-])=O Tox21_300122 -NCGC00254611-01 196720416 tox21-ror-cho-viability-p1 set3 4 -7.0224334 -6.52306113 0.02373339 3.80397864 -4.09465245 -1.36134925 -4.09647248 -7.27957499 3.22739273 -10.30942016 -6.73947643 -5.52589143 -7.59584604 -2.50750929 -4.70604021 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 207569-02-6 51346588 144211020 A A 1,5-Naphthalenedisulfonic acid, disodium salt hydrate [Na+].[Na+].O.[O-]S(=O)(=O)c2cccc1c2cccc1S([O-])(=O)=O Tox21_300703 -NCGC00254988-01 196720421 tox21-ror-cho-viability-p1 set3 -3 61.130564862 -48.466118576 6.371745772 -42.094372804 4.4494702849 0.8792651373 0.00081237 12.14251439 4.90625064 7.29609673 7.84534693 6.18352255 11.32913187 10.4569128 6.4477248 -3.15815211 2.99326888 5.92471312 10.86490207 1.36044607 -0.58682542 -35.29240105 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69327-76-0 50367 144211405 A A Buprofezin CC(C)(C)/N=C2\SCN(c1ccccc1)C(=O)N2C(C)C Tox21_301088 -NCGC00090962-05 196718348 tox21-ror-cho-viability-p1 set2 4 -0.95600081 -1.78345863 0.05037984 -0.39699056 -0.20841551 0.95891645 -0.85652753 0.34783886 -1.10272413 0.30248424 -0.66239927 0.1586009 -4.4572623 -7.21998466 -8.10592293 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00160662-02 196717927 tox21-ror-cho-viability-p1 set2 4 1.08274375 0.22309728 -0.08086897 4.08876694 5.11913726 0.9715151 4.49068557 4.15845623 5.04362064 5.58741644 -0.34663925 0.09089476 0.83445269 4.25231277 5.59967458 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 177036-94-1 6918493 170465143 A Ambrisentan O=C(O)[C@@H](Oc1nc(C)cc(C)n1)C(OC)(c2ccccc2)c3ccccc3 Tox21_111967_1 -NCGC00182546-02 196717932 tox21-ror-cho-viability-p1 set2 4 -1.03096702 -0.30848781 1.47492734 1.64723649 3.85334559 3.49255102 1.33913334 -0.10296352 -0.80340752 2.49972757 -1.8465615 -0.27712542 2.22281838 2.29817928 -1.89488694 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-77-4 5282182 170465908 Fns Gefarnate C\C(C)=C\CCC(\C)=C\COC(=O)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C Tox21_112983_1 -NCGC00256469-01 196718332 tox21-ror-cho-viability-p1 set2 4 1.84374939 2.42866976 1.95468231 1.49452637 -1.46410488 0.52234456 1.64391697 4.61473636 1.02992757 -8.50257726 6.64245644 -9.97999521 -1.53202544 -2.72054014 -1.39793167 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 520-45-6 122903 144213081 A Bc Dehydroacetic acid O=C(C)C1C(=O)C=C(C)OC1=O Tox21_302764 -NCGC00257147-01 196718753 tox21-ror-cho-viability-p1 set2 4 -1.59045309 -0.92416392 2.09504793 1.1790337 1.63185819 3.34117312 -0.29681451 5.33916243 0.76639628 -0.90065782 4.12547513 4.39264933 4.53089548 2.25149749 0.75529062 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3724-65-0 19499 144213525 Z Z 2-Butenoic acid CC=CC(=O)O Tox21_303208 -NCGC00259544-01 196721587 tox21-ror-cho-viability-p1 set3 4 43.6735229148 13.6151348919 -2.6151348919 11 3.0654483358 0.5587371557 0.1291054498 -3.818558 -2.19492146 1.07535579 6.90312165 -5.51261241 -4.09711114 -4.70994803 -4.33901235 -2.05294787 -2.8266264 -3.26669924 -3.6756926 -1.35376194 3.38346643 9.85624101 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.9719999999E-8 6.6449999999E-8 1.486E-7 3.3219999999E-7 7.429E-7 0.0000016609999999 0.0000037149999999 0.0000083059999999 0.00001857 0.00004153 0.00009287 2814-20-2 17777 144209193 A A 2-Isopropyl-6-methyl-4-pyrimidone O=C1C=C(C)NC(=N1)C(C)C Tox21_201995 -NCGC00259577-01 196721588 tox21-ror-cho-viability-p1 set3 4 34.4112047096 12.301364884 -4.301364884 8 4.9549173134 0.5633516727 0.1251251707 -5.60477001 -2.05850496 -2.49833064 7.00809828 -5.36077852 -5.82895545 -6.65563597 -6.91780407 -5.22337273 -4.16332819 -5.7727175 -5.83897045 -4.93315766 5.37671352 8.12913393 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.00000369 0.000008252 0.000018449999999 0.000041259999999 0.00009226 13593-03-8 26124 144209226 FNS Quinalphos CCOP(=S)(OCC)Oc1cnc2ccccc2n1 Tox21_202028 -NCGC00259817-01 196721982 tox21-ror-cho-viability-p1 set3 4 0.069497396 -4.194616304 1.5 -2.694616304 2.09374246 0.4988084738 0.2006815727 -1.39574688 2.35846904 0.73591732 5.70215955 -1.05307914 0.21514328 -2.81668037 -0.23119155 -2.0109854 -2.38921228 -2.79530853 -3.2230156 -1.34287027 -4.32884692 -0.21919815 1.193E-9 2.6679999999E-9 5.9649999999E-9 1.3339999999E-8 2.982E-8 6.669E-8 1.491E-7 3.335E-7 7.456E-7 0.0000016669999999 0.000003728 0.000008336 0.00001864 0.00004168 0.0000932 120-61-6 8441 144209466 A A Dimethyl terephthalate COC(=O)c1ccc(cc1)C(=O)OC Tox21_202268 -NCGC00259160-01 196721983 tox21-ror-cho-viability-p1 set3 4 -13.52819895 -11.00548045 -10.39318567 -3.69290418 -9.57865745 -8.75256967 -16.52668002 -10.10850148 -14.80917295 -3.57207931 -14.86698345 -7.80105963 -5.19166631 -13.11054272 -19.76787691 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 122-39-4 11487 144208809 A A Diphenylamine c1ccccc1Nc2ccccc2 Tox21_201611 -NCGC00259945-01 196721993 tox21-ror-cho-viability-p1 set3 4 86.1736222293 -21.5815396559 -2.5 -24.0815396559 0.5 0.5730998195 0.1176113409 -6.48700513 -5.14454942 -2.17855497 5.18153942 -1.25586649 -1.60601324 -5.41661747 -6.04957997 -7.81701141 -4.76169341 -6.57400153 -6.9336737 -8.83340086 -8.04606803 -16.73461638 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.3169999999E-8 2.944E-8 6.583E-8 1.472E-7 3.291E-7 7.3599999999E-7 0.0000016459999999 0.00000368 0.000008228 0.000018399999999 0.000041139999999 0.000092 116-29-0 8305 144209594 A F Tetradifon Clc1cc(c(Cl)cc1Cl)S(=O)(=O)c2ccc(Cl)cc2 Tox21_202396 -NCGC00259301-01 196722001 tox21-ror-cho-viability-p1 set3 4 30.8248964822 10.645668724 -0.645668724 10 4.9549173134 0.4914360795 0.1868536192 -6.78805727 3.01334005 1.63381977 7.09637686 0.05020794 -3.11939473 -1.93204554 -2.96918766 -1.86743386 1.35142102 -2.84342674 1.5474249 -2.59446403 10.00410641 8.20760649 1.1859999999E-9 2.6519999999E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001853 0.000041439999999 0.000092669999999 56038-13-2 71485 144208950 A A Sucralose O[C@H]1[C@H](O[C@H](CO)[C@H](Cl)[C@@H]1O)O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O Tox21_201752 -NCGC00091163-03 196722380 tox21-ror-cho-viability-p1 set3 4 0.0019331182 15.4968332599 -13.4968332599 2 4.9549173134 0.3510966901 0.3189522717 -12.49736105 -0.7211006 2.62988442 -0.47464797 5.26355937 6.28090956 4.98968264 6.5847679 -4.28192772 -5.12887193 -10.29985961 5.05148752 0.99063095 3.89745178 7.82063245 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00091643-08 196720397 tox21-ror-cho-viability-p1 set3 -2.4 27.3060203028 -36.1129119239 3.5 -32.6129119239 1.2221 0.927080459 0.0000638463 5.98840533 5.31825571 5.88219056 -3.16060061 5.73430169 3.42041759 5.52473901 4.18198031 1.77427551 -0.86892738 -0.1422309 -3.15716599 -9.43959803 -16.20716199 -28.84409327 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00163815-04 196719986 tox21-ror-cho-viability-p1 set3 -2.2 65.1933385464 -62.2170375996 -3.56582277 -65.7828603696 1.4641 0.7794580259 0.0118646499 -3.35444176 -12.27524081 -2.45948712 -5.26255264 -7.69434024 -3.50705643 0.82272742 -1.37771743 0.20420754 -0.64067697 -0.96705053 -2.19260633 -26.93723366 -13.84606053 -49.83550028 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00255067-01 196719987 tox21-ror-cho-viability-p1 set3 4 8.90509533 -7.18020156 10.67303838 10.83573719 11.07951868 -6.66822551 9.90172187 14.30770549 -6.16571432 13.60836058 6.62754843 12.2468109 8.05490215 7.9648272 3.65745951 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 104-45-0 7702 144211486 A Ac 4-Propylanisole COc1ccc(CCC)cc1 Tox21_301169 -NCGC00254884-01 196720386 tox21-ror-cho-viability-p1 set3 4 -3.50869672 -2.29283363 -0.23185802 3.37019124 -1.62724484 -2.20411628 5.44509066 -22.21119009 3.54744061 1.46093805 -6.66924609 -6.91906459 -16.86538912 -10.43397373 -7.2296058 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51218-45-2 4169 144211299 A A Metolachlor ClCC(=O)N(C(C)COC)c1c(C)cccc1CC Tox21_300982 -NCGC00259891-01 196721206 tox21-ror-cho-viability-p1 set3 4 -6.84660996 -0.26430171 0.85727735 5.09362583 -6.39621514 -5.90858822 -6.04183243 -2.73749765 -7.76038172 -1.97211506 -6.68062706 -4.44785493 -4.80707196 1.73718046 2.67119848 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-96-7 135 144209540 A A 4-Hydroxybenzoic acid OC(=O)c1ccc(O)cc1 Tox21_202342 -NCGC00262914-01 196705217 tox21-ror-cho-viability-p1 set1 4 0.88586555 -0.67191864 -0.31166216 0.80456131 0 0.30802115 -0.8093179 1.35470936 -5.09626783 0.73125539 -1.04763057 -0.85385915 0.36533149 0.87638765 2.40052059 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 501-68-8 10391 170466371 A A Beclamide ClCCC(=O)NCc1ccccc1 Tox21_113912 -NCGC00253649-01 196705211 tox21-ror-cho-viability-p1 set1 4 1.41897553 -3.03152332 -2.62666645 0.12372535 0.45359077 3.83657095 -0.25926437 3.04982145 0.79793272 0.95890244 -3.63932912 -0.24718258 -0.23988429 2.33491091 -4.74198265 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4462-55-9 78212 170466742 F F 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride ClC(=O)c2c(C)onc2c1c(Cl)cccc1Cl Tox21_113775 -NCGC00091380-04 196705213 tox21-ror-cho-viability-p1 set1 4 7.79393699 2.82192566 5.67129304 1.66174746 -1.33150467 3.47844726 5.69016398 3.15268845 2.6457787 1.75777173 5.01955807 4.82089561 3.90610214 5.57471975 0.41400008 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00016367-08 196705215 tox21-ror-cho-viability-p1 set1 4 -1.19554194 -4.30453465 2.86363941 -5.49232968 3.63969442 0.7621289 0.06404853 2.51992967 2.35906408 0.81683744 -7.12804597 -2.93259914 -2.85596752 2.03911459 -0.19617857 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 116-43-8 5315 170465721 A Succinylsulfathiazole O=S(=O)(Nc1nccs1)c2ccc(NC(=O)CCC(=O)O)cc2 Tox21_110400_1 -NCGC00263532-01 196705219 tox21-ror-cho-viability-p1 set1 4 3.91628504 3.52926204 2.87756713 0.86356156 0.67351499 -1.10023121 0.63225252 4.96459786 3.301912 0.7130498 2.08398168 -0.68969231 -0.20146265 1.07242356 3.02134106 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 140462-76-6 5282402 170465181 A Olopatadine hydrochloride Cl.O=C(O)Cc1ccc2OCc3ccccc3C(=C\CCN(C)C)\c2c1 Tox21_112242_1 -NCGC00257612-01 196701913 tox21-ror-cho-viability-p1 set1 4 -14.88450184 -11.99510911 -12.71353002 -8.16049507 -16.56064172 -11.04727602 -18.02376962 -13.51967471 -8.52922021 -14.04996942 -15.38306779 -12.30488689 -19.34000657 -11.30098666 -10.4491463 1.188E-9 2.657E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016599999999 0.000003713 0.000008302 0.00001856 0.000041509999999 0.00009282 95-64-7 7248 144207256 A A 3,4-Dimethylaniline Cc1cc(N)ccc1C Tox21_200058 -NCGC00258433-01 196701501 tox21-ror-cho-viability-p1 set1 4 -0.7408186 0.21933 -0.37909291 -0.94935857 -1.26549215 -1.30612866 -0.06743328 -2.94930816 -1.43798145 1.25323539 -4.28892435 -1.21195632 -3.27016605 -2.88356164 2.0383457 1.206E-9 2.6959999999E-9 6.029E-9 1.348E-8 3.014E-8 6.7409999999E-8 1.507E-7 3.37E-7 7.536E-7 0.000001685 0.0000037679999999 0.000008426 0.00001884 0.00004213 0.0000942 6294-89-9 80519 144208077 A Ac Methyl carbazate NNC(=O)OC Tox21_200879 -NCGC00258313-01 196701503 tox21-ror-cho-viability-p1 set1 4 10.8707224818 -11.4330591639 4 -7.4330591639 0.7999999999 0.5437049615 0.1579702359 5.0745812 2.24229517 6.13751732 -1.21074697 6.01693733 5.51891731 6.910697 0.90364663 1.02807733 4.39515231 -1.24730803 -2.10088489 0.66427223 -6.19421597 1.6422672 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.299E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.00001844 0.00004124 0.00009222 86-00-0 6829 144207957 A A 2-Nitro-1,1'-biphenyl O=[N+]([O-])c2ccccc2c1ccccc1 Tox21_200759 -NCGC00258189-01 196701895 tox21-ror-cho-viability-p1 set1 4 0.28020666 -5.74101233 -4.19104579 -4.40720029 -4.01905871 0.68745762 -13.50898618 -2.25855423 -2.22099248 -5.89214011 -3.58535219 -10.75531231 -1.87874978 0.90029234 0.44312777 1.158E-9 2.589E-9 5.79E-9 1.2949999999E-8 2.8949999999E-8 6.473E-8 1.447E-7 3.2369999999E-7 7.237E-7 0.000001618 0.000003619 0.000008091 0.000018089999999 0.00004046 0.000090469999999 110-61-2 8062 144207833 A A Succinonitrile N#CCCC#N Tox21_200635 -NCGC00090760-08 196701916 tox21-ror-cho-viability-p1 set1 -2.4 60.7577547203 -41.836908 2 -39.836908 2.9022712143 0.8886557341 0.0005491797 6.07860558 2.27308162 0.22199896 9.79720217 0.01809417 -0.05935972 2.7217461 -0.29966483 5.28251431 1.42441442 -2.49652757 1.77218962 -0.0389811 -8.21153987 -29.86409 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00258586-01 196701919 tox21-ror-cho-viability-p1 set1 4 -2.99941798 3.05770162 2.59394969 -6.8585643 2.58635224 -4.57534758 -6.42010739 -2.30280226 -5.62921721 -5.35331582 -0.25642014 -2.12612637 -3.83849193 -1.58488773 -2.09673439 1.22E-9 2.7269999999E-9 6.098E-9 1.3639999999E-8 3.049E-8 6.818E-8 1.525E-7 3.409E-7 7.623E-7 0.000001705 0.0000038109999999 0.000008523 0.000019059999999 0.00004261 0.00009529 587-63-3 98356 144208231 A A Dihydrokavain O=C2C=C(CC(CCc1ccccc1)O2)OC Tox21_201033 -NCGC00258705-01 196702312 tox21-ror-cho-viability-p1 set1 -2.4 66.0600133467 -35.131889124 1 -34.131889124 4.9549173134 0.9687142716 6.198E-7 2.63992254 1.23334467 1.13834307 0.50665094 0.15608597 2.54551699 1.11443033 2.23958563 0.18126489 0.02828425 1.3755246 0.06878488 -0.45255339 1.92446719 -26.77657427 1.039E-9 2.324E-9 5.197E-9 1.1619999999E-8 2.598E-8 5.81E-8 1.299E-7 2.9049999999E-7 6.4959999999E-7 0.000001453 0.000003248 0.000007263 0.000016239999999 0.00003631 0.0000812 17924-92-4 5281576 144208351 A A Zearalenone Oc1cc(O)cc2C=CCCCC(=O)CCC[C@H](C)OC(=O)c12 Tox21_201153 -NCGC00257708-01 196702323 tox21-ror-cho-viability-p1 set1 4 2.41409948 -0.30513358 1.38031676 3.99795669 0.52117699 4.9258337 2.45333341 11.14066023 0.63210443 0.94918291 2.26389398 -0.52867611 1.93122067 3.21542068 -5.14964675 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.00004119 0.000092099999999 2381-21-7 16932 144207352 A F 1-Methylpyrene Cc4ccc1ccc2cccc3ccc4c1c23 Tox21_200154 -NCGC00258575-01 196724409 tox21-ror-cho-viability-p1 set3 -1.1 6.8450141225 -68.4503695993 -3.9585727609 -72.4089423602 2.4063783767 0.9737723178 2.256E-7 -10.95427189 -5.50193542 -4.65566083 -14.71307968 0.61109152 -2.15813018 2.29718168 0.17553282 -0.54011445 -6.11788587 -16.05651452 -44.18163783 -70.24465618 -68.3877394 -72.28854593 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.000003681 0.00000823 0.000018399999999 0.00004115 0.00009201 96-69-5 7308 144208220 A A 4,4'-Thiobis(6-tert-butyl-m-cresol) CC(C)(C)c2cc(Sc1cc(c(O)cc1C)C(C)(C)C)c(C)cc2O Tox21_201022 -NCGC00090965-04 196720033 tox21-ror-cho-viability-p1 set3 4 0.4855773367 7.418714228 -9.418714228 -2 4.9549173134 0.5550139589 0.1318446626 -12.55738638 -11.25495803 -1.71188931 -12.42795743 -3.19275039 -10.13268084 -13.26559519 -11.44498148 -0.56983428 -2.42396564 -3.47564651 -0.73114751 -3.59843728 0.12234882 -3.3279259 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00258932-01 196722033 tox21-ror-cho-viability-p1 set3 4 31.0745746132 14.078925152 -5.078925152 9 1.9673362061 0.802137978 0.007700641 -5.03656127 -4.74323385 -8.81577096 -1.69693381 -6.11550487 -7.6439204 -5.70552228 -6.14845204 -4.12507139 -2.2080468 -4.7309025 -2.49207892 -3.37910501 4.55803331 7.26005695 1.194E-9 2.671E-9 5.972E-9 1.335E-8 2.986E-8 6.677E-8 1.493E-7 3.338E-7 7.465E-7 0.000001669 0.000003732 0.000008346 0.00001866 0.000041729999999 0.00009331 110-93-0 9862 144208579 A Ac 6-Methyl-5-hepten-2-one C/C(C)=C\CCC(C)=O Tox21_201381 -NCGC00259052-01 196722036 tox21-ror-cho-viability-p1 set3 4 26.5579879062 16.3342495279 -4.3342495279 12 1.752947691 0.7772231739 0.0124634419 -6.86597855 -3.87922332 0.52176236 -7.89394183 -5.40897253 -1.82071977 -4.44858672 -3.4754384 -6.00959631 -1.44114206 -8.19520794 -0.94742748 1.36652321 5.040265 11.75130596 1.1529999999E-9 2.5769999999E-9 5.7629999999E-9 1.289E-8 2.8809999999E-8 6.443E-8 1.441E-7 3.221E-7 7.203E-7 0.000001611 0.0000036019999999 0.000008054 0.00001801 0.00004027 0.00009004 95-14-7 7220 144208699 A A 1,2,3-Benzotriazole c1cccc2nnnc12 Tox21_201501 -NCGC00259269-01 196722048 tox21-ror-cho-viability-p1 set3 4 31.7942579876 10.0180755519 -2.0180755519 8 4.9549173134 0.4568906902 0.2187758357 -6.26506296 0.82697845 0.35656229 7.73768939 -2.5637312 -4.48348129 -4.33685825 -4.61516694 -3.85890343 0.03653202 -1.09337511 -2.16201906 -3.43824022 7.13099672 7.09517408 1.2169999999E-9 2.7209999999E-9 6.0849999999E-9 1.361E-8 3.042E-8 6.803E-8 1.521E-7 3.401E-7 7.606E-7 0.0000017009999999 0.000003803 0.0000085039999999 0.00001901 0.00004252 0.000095069999999 563-80-4 11251 144208918 FNS 3-Methyl-2-butanone CC(C)C(C)=O Tox21_201720 -NCGC00254909-01 196719615 tox21-ror-cho-viability-p1 set3 4 0.0273060203 16.69755588 -16.19755588 0.5 0.3 0.6953611451 0.040554556 -12.19381045 -12.6646299 -10.03972446 -3.94337092 -9.30427297 -9.52446161 -4.75949055 -2.7273195 -3.76872617 -4.03694019 -0.89128689 -7.69678624 -0.40554845 0.52322153 -0.96112155 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 114311-32-9 86137 144211324 A A Imazamox CC1(N=C(NC1=O)c2ncc(COC)cc2C(=O)O)C(C)C Tox21_301007 -NCGC00254760-01 196719618 tox21-ror-cho-viability-p1 set3 4 -0.00298398 3.19092702 5.80470277 -1.89546967 4.40628232 4.31795009 1.76943828 4.38677735 2.17122182 7.24470706 11.41909786 1.90116133 1.34445583 3.36714264 4.71682221 1.4029999999E-9 3.137E-9 7.013E-9 1.568E-8 3.5069999999E-8 7.8409999999E-8 1.753E-7 3.9209999999E-7 8.767E-7 0.00000196 0.000004383 0.0000098019999999 0.00002192 0.000049009999999 0.0001096 95-69-2 7251 144211174 A A 4-Chloro-2-methylaniline Cc1cc(Cl)ccc1N Tox21_300857 -NCGC00254824-01 196720020 tox21-ror-cho-viability-p1 set3 4 10.40011277 11.68340983 6.49486591 11.10792338 12.98082964 1.69870006 0 1.44316061 4.51212018 8.55267891 3.86864733 9.86351733 -6.14242006 5.93905976 6.544968 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-11-1 66858 144211238 A A 3-((Ethylphenylamino)methyl)benzenesulfonic acid OS(=O)(=O)c2cc(CN(CC)c1ccccc1)ccc2 Tox21_300921 -NCGC00255103-01 196720038 tox21-ror-cho-viability-p1 set3 4 8.47080055 3.28618444 4.03234149 6.75526908 -1.0177401 4.55432175 9.93430994 3.22442029 2.63623805 11.0870891 7.27751189 10.46111667 -4.90058627 3.69608916 -1.06566093 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 36001-88-4 100524 144211523 A A Amiprofos-methyl S=P(Oc1ccc(C)cc1[N+]([O-])=O)(NC(C)C)OC Tox21_301206 -NCGC00254982-01 196720040 tox21-ror-cho-viability-p1 set3 4 3.76389465 14.91565993 20.4081682 18.80813722 22.82844743 19.31357858 0 13.7502459 14.84671858 22.81686816 28.88368717 22.32158946 15.65598441 0.5177982 5.9730825 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-37-3 7749 144211398 FNS Ethyl propionate CCC(=O)OCC Tox21_301081 -NCGC00254545-01 196720435 tox21-ror-cho-viability-p1 set3 4 9.6885416101 -14.9521030639 11.5 -3.4521030639 3.1319983358 0.5202420253 0.1604063068 13.1751683 11.37657309 4.79085982 9.12706703 0.27135986 12.32982732 10.72149457 12.14093381 17.50843223 25.37784075 6.12635122 8.06327207 -4.54341922 -2.93626712 -2.33703956 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-27-4 7795 144210702 FC Isopentyl butyrate CC(C)CCOC(=O)CCC Tox21_300384 -NCGC00254914-01 196720442 tox21-ror-cho-viability-p1 set3 1.4 0.2431176931 27.6724113439 -17.6724113439 10 0.2 0.7326282722 0.0252137034 -10.52462546 -16.39367612 -4.16584969 -4.15845632 -9.11812326 -8.20829931 -1.58548527 -1.97959666 -2.58153102 -2.00166965 -2.0379701 -1.43479088 0.60841985 5.39181271 5.45167357 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 81335-77-5 54740 144211329 A A Imazethapyr CC1(N=C(NC1=O)c2ncc(CC)cc2C(=O)O)C(C)C Tox21_301012 -NCGC00254287-01 196720444 tox21-ror-cho-viability-p1 set3 4 -5.92721749 -8.8231822 -3.04260257 0.51773608 -2.29066356 -0.81428833 1.7332855 -5.97585518 -6.60964866 2.19888298 -5.47971979 2.83707982 -5.63775971 -5.24791771 -2.61478431 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-30-9 7797 144210700 AC Fns Ethyl heptanoate O=C(CCCCCC)OCC Tox21_300382 -NCGC00255046-01 196720849 tox21-ror-cho-viability-p1 set3 4 11.09040074 9.43070848 12.65289601 -3.66776141 15.60517898 10.86880776 8.50200487 3.55144466 4.09732941 12.01906234 6.92481373 3.01898319 5.42237176 0.90834682 4.38768121 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111406-87-2 60490 144211465 A B Zileuton NC(=O)N(O)C(C)c1cc2ccccc2s1 Tox21_301148 -NCGC00022001-13 196723220 tox21-ror-cho-viability-p1 set3 4 0.2984929481 5.5072462519 -1.5072462519 4 4.9549173134 0.3072392034 0.3614293938 -2.88191613 -0.68298498 -2.32110884 -5.42270521 12.36095728 -3.11895102 -4.43222985 -5.412612 3.25684645 2.60156804 4.34971652 4.58068269 4.53475372 3.90973021 4.12821198 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 518-28-5 10607 170464788 A Podofilox COc1cc(cc(OC)c1OC)[C@H]3[C@H]2C(=O)OC[C@@H]2[C@@H](O)c4cc5OCOc5cc34 Tox21_110874_1 -NCGC00164071-03 196723218 tox21-ror-cho-viability-p1 set3 4 37.5780357627 31.927348852 2.072651148 34 0.8999999999 0.5820814189 0.1101319983 3.60738626 0.02348152 -0.37679066 0.83604373 0.19969793 -0.09943822 1.04641721 -0.77279071 9.67367877 8.59856013 9.57560205 3.76787384 8.13564558 4.08037169 26.83043648 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 110-27-0 8042 170465683 F Isopropyl tetradecanoic acid CC(C)OC(=O)CCCCCCCCCCCCC Tox21_112080_1 -NCGC00015417-04 196723222 tox21-ror-cho-viability-p1 set3 4 11.69123427 11.08764903 5.8546032 -1.4093056 19.55444172 -4.63058873 2.81504733 -9.11415442 -13.65763318 6.49866138 6.65610486 10.13534417 5.81659186 -14.66952296 -12.05752858 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 329-63-5 441411 170464974 Z A (R,S)-Epinephrine hydrochloride Cl.Oc1ccc(cc1O)[C@@H](O)CNC Tox21_113650 -NCGC00178802-06 196722410 tox21-ror-cho-viability-p1 set3 4 0.0010590929 -12.89962116 12.5 -0.39962116 1.826479391 0.3779878 0.31052022 9.4217521 4.7373667 1.50958036 -0.81304052 1.78373951 2.5063278 2.41789467 -1.50609902 -3.2292477 4.50088422 3.67899582 -6.9996843 -6.50160658 2.88277076 9.53212792 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 138-14-7 62881 170464752 A Deferoxamine mesylate ON(CCCCCNC(=O)CCC(=O)N(O)CCCCCN)C(=O)CCC(=O)NCCCCCN(O)C(C)=O.CS(=O)(=O)O Tox21_110741_1 -NCGC00091426-02 196722013 tox21-ror-cho-viability-p1 set3 4 -5.98766353 -5.44202058 -4.63917806 0.81092621 -3.01295798 -5.52815237 -5.59342189 -4.65354759 -6.95590019 -4.4885511 -3.85061488 -7.64428425 -3.40836519 -4.86637485 -5.42167969 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00259888-01 196722017 tox21-ror-cho-viability-p1 set3 4 -9.79840614 -6.62507409 -2.59734406 7.5512184 3.65696418 0.6162144 -9.56530537 2.5220928 1.93871405 -3.65277901 2.42512383 -4.6523026 -6.15305179 1.87655841 -0.78943919 1.173E-9 2.6229999999E-9 5.865E-9 1.311E-8 2.9319999999E-8 6.557E-8 1.466E-7 3.279E-7 7.3309999999E-7 0.0000016389999999 0.0000036659999999 0.000008197 0.00001833 0.00004098 0.00009164 115-28-6 8266 144209537 A A Chlorendic acid ClC2(Cl)C1(Cl)C(Cl)=C(Cl)C2(Cl)C(C1C(=O)O)C(=O)O Tox21_202339 -NCGC00253682-01 196722408 tox21-ror-cho-viability-p1 set3 4 0.0014960085 10.138178568 -7.638178568 2.5 0.4999999999 0.3307668318 0.3408964163 -3.32232141 -4.52715635 0.31029154 -0.36682744 -0.81330481 -0.26727316 1.51695515 -0.17261638 5.06950852 7.26120967 -4.69848214 0.70355079 6.23115754 0.88405626 2.37764602 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2107-69-9 75018 170466772 Ac A 5,6-Dimethoxy-1-indanone COc1cc2C(=O)CCc2cc1OC Tox21_113806 -NCGC00181294-01 196722430 tox21-ror-cho-viability-p1 set3 4 0.45950018 0.38035683 -0.99966267 -0.68248593 -1.43835196 1.62468617 -0.58227322 -0.88719404 -0.70255839 8.55147661 -4.9102708 -6.6959956 3.75609384 2.36393946 7.6408755 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67-16-3 5432 144206326 I F Thiamine disulfide Nc2nc(C)ncc2CN(C=O)C(C)=C(CCO)SSC(CCO)=C(C)N(C=O)Cc1cnc(C)nc1N Tox21_112773 -NCGC00247713-01 196722827 tox21-ror-cho-viability-p1 set3 4 0.2672391755 13.871085712 -11.371085712 2.5 4.9549173134 0.6104260444 0.0894285364 0.43148012 -18.22590476 -16.04835533 -12.43127258 0 -16.26042014 -17.95584954 0 4.01617404 3.98891502 1.3522993 2.70986797 1.67722777 2.58333714 -0.24844942 1.159E-9 2.592E-9 5.795E-9 1.2959999999E-8 2.898E-8 6.479E-8 1.449E-7 3.24E-7 7.244E-7 0.00000162 0.000003622 0.000008099 0.000018109999999 0.000040499999999 0.000090549999999 340-57-8 9567 144206423 A A Mecloqualone Clc1ccccc1N3C(C)=Nc2ccccc2C3=O Tox21_112870 -NCGC00159485-06 196722828 tox21-ror-cho-viability-p1 set3 4 -3.94980465 -2.86919518 -0.13595891 -3.03741111 -4.06010703 -5.92890897 -7.90702166 -3.90887115 -4.20244422 -4.3127241 -1.52399306 2.78132117 -3.98352884 -3.35312499 -1.88622443 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 15708-41-5 27461 170464680 A Ethylenediaminetetraacetic acid ferric sodium salt [Fe+3].[Na+].[O-]C(=O)CN(CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O Tox21_112117_1 -NCGC00016257-10 196722830 tox21-ror-cho-viability-p1 set3 4 0.0188336318 -38.721207816 21.5 -17.221207816 0.4 0.6758393365 0.0598220642 15.61968047 10.22665953 13.2959398 -0.90349023 3.97143479 -3.97013635 -9.28115974 14.80788464 -7.96322184 -17.26767318 -13.45445734 -16.87246299 -13.56623875 -12.44300927 -0.02025962 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-15-1 6009 170465863 F 4-Dimethylaminoantipyrine CN(C)C=2C(=O)N(c1ccccc1)N(C)C=2C Tox21_110333_1 -NCGC00260600-01 196703142 tox21-ror-cho-viability-p1 set1 4 1.333319023 8.0133549199 -5.5133549199 2.5 2.6384283767 0.5108909038 0.1861832573 -7.92025178 -3.8209475 -3.94799325 -6.87802254 0.62669789 -0.77759512 -12.5111291 -7.29545354 -7.25746281 -2.51278092 -0.7364911 3.06567582 0.63338299 3.13479731 -3.79690682 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49496 144210253 M M NTP Mix3 AR1 8-EQC Tox21_203055 -NCGC00260217-01 196703144 tox21-ror-cho-viability-p1 set1 4 6.43356996 1.25835183 4.27061302 6.90907248 0.93193207 3.99147905 -1.46233204 2.18778299 2.00222549 2.29078231 9.43634719 0.68109342 0.72732643 -0.93708541 7.94176247 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004135 0.00009247 88840-42-0 60196385 144209867 A A 1-Methyl-1-propylpiperidinium bromide [Br-].CCC[N+]1(C)CCCCC1 Tox21_202669 -NCGC00260587-01 196703569 tox21-ror-cho-viability-p1 set1 4 -1.8983234 -1.24904125 -0.46675391 -1.68245825 -1.00924683 -7.4963673 -0.06813788 0.36982307 -2.53572604 0.18834044 4.19296248 0.70571478 -9.20504325 0.28792286 0.58229321 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49483 144210240 M M NTP Mix36 CT1 2-EQP Tox21_203042 -NCGC00357258-01 196703986 tox21-ror-cho-viability-p1 set1 4 0.16575736 1.11408212 -0.57990723 4.1677729 -12.53163012 0.38017607 -0.95346302 0.81135853 -1.00968819 0.87740859 0.33291563 0.19796603 0.32953917 1.56694138 1.30111456 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-90-5 7728 251919651 Ac 5-Ethyl-2-methylpyridine CCc1cnc(C)cc1 Tox21_303710 -NCGC00357086-01 196703991 tox21-ror-cho-viability-p1 set1 4 -2.79428525 -3.59918152 -0.46035282 -1.68601495 -2.56926243 -2.10705295 0.0705957 -0.68892351 1.79148836 1.42731555 -10.73953402 -6.46703075 -2.02725271 -2.00182878 1.50373205 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4584-46-7 11636816 251919902 A (2-Chloroethyl)dimethylamine hydrochloride Cl.ClCCN(C)C Tox21_303802 -NCGC00015822-15 196704392 tox21-ror-cho-viability-p1 set1 4 4.51943643 0.28717629 -0.0717416 -0.41066828 1.23961828 0.88516683 0.27846579 -3.93540206 1.43342018 -0.40718332 -0.33620772 5.54725298 0.991915 -0.12071457 1.33437799 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 91-84-9 4992 170464656 A Pyrilamine COc1ccc(cc1)CN(CCN(C)C)c2ccccn2 Tox21_110230_1 -NCGC00016308-06 196704401 tox21-ror-cho-viability-p1 set1 4 -4.14230793 0.42753448 0.12927048 1.44786511 -1.19099671 0.1475624 2.23723016 0.4277035 1.44151989 2.27584305 -1.45331752 -0.62793508 0.48831799 -3.86430556 0.1052731 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7492-32-2 3775 170465291 A Isopropamide CC(C)[N+](C)(CCC(c1ccccc1)(C(N)=O)c2ccccc2)C(C)C Tox21_110362_1 -NCGC00181296-02 196704404 tox21-ror-cho-viability-p1 set1 4 -0.32062039 0.68945835 4.50933257 2.28583906 -0.74089445 0.7852095 1.75465169 4.90503376 2.09616609 0.5330332 1.91394721 1.86561036 2.73812235 1.29215766 -0.77244031 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112665-43-7 2449 170465940 A Seratrodast O=C2C(C)=C(C)C(=O)C(C)=C2C(CCCCCC(=O)O)c1ccccc1 Tox21_112774_1 -NCGC00091657-02 196704412 tox21-ror-cho-viability-p1 set1 4 0.05513746 4.87868577 4.44481345 0.65600501 1.97171235 4.9312811 1.731489 3.48145271 0.77959427 -2.69008725 2.47037756 5.34552374 2.45671041 1.39167824 5.56314648 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00253765-01 196704807 tox21-ror-cho-viability-p1 set1 4 0.39518361 4.73885527 3.09215406 0.14581697 0.12944188 1.03185576 0.21785679 -0.40422679 -0.30948348 -1.19506617 0.01378429 1.51698331 4.99444759 4.33591324 1.91432619 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 92-54-6 7096 170466741 A Ac Phenylpiperazine c1cc(ccc1)N2CCNCC2 Tox21_113878 -NCGC00159504-04 196704817 tox21-ror-cho-viability-p1 set1 4 -3.74167118 -0.20016147 -0.31287601 -0.1254571 -0.40798008 -6.89729811 0.16191358 1.05603272 -3.02869824 1.26303816 0.16146936 -0.15951884 0.44459953 -3.26589432 -0.14681944 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 552-22-7 11088 170465466 D Thymol iodide IOc1cc(C)c(cc1C(C)C)c2cc(C(C)C)c(OI)cc2C Tox21_111723_1 -NCGC00015999-19 196704819 tox21-ror-cho-viability-p1 set1 4 -0.4524844 -0.17031847 0.80686455 0.19638274 0.99066798 6.16724048 4.82238131 6.82303688 -0.49953402 -0.33724938 -0.50324487 8.06806817 -1.23080344 1.06376965 6.25702 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64-77-7 5505 170465238 A Tolbutamide Cc1ccc(cc1)S(=O)(=O)NC(=O)NCCCC Tox21_110279_1 -NCGC00253692-01 196704825 tox21-ror-cho-viability-p1 set1 4 3.36659459 7.67066032 2.3264977 -0.95950239 2.06710536 2.75274244 1.51910437 3.98391224 2.62417076 -0.87587499 2.41611573 -0.523253 1.24703286 -0.08313936 2.8016586 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83991-25-7 71270 170466496 A F Ambasilide Nc1ccc(cc1)C(=O)N2CC3CC(C2)CN(C3)Cc4ccccc4 Tox21_113814 -NCGC00257786-01 196702340 tox21-ror-cho-viability-p1 set1 4 0.0015558529 -10.410005804 10.5 0.089994196 4.9549173134 0.5263811275 0.1744235257 8.41973679 0.71908353 -0.65602953 2.17808486 -1.91005119 1.28804174 2.2968897 1.41255038 0.48149492 -5.75833817 0.37620036 1.10070457 2.09348992 -0.38721451 5.93098521 1.193E-9 2.667E-9 5.963E-9 1.333E-8 2.981E-8 6.6669999999E-8 1.491E-7 3.3329999999E-7 7.4539999999E-7 0.0000016669999999 0.0000037269999999 0.000008333 0.00001863 0.00004167 0.00009317 108-69-0 7949 144207430 A A 3,5-Dimethylaniline Cc1cc(N)cc(C)c1 Tox21_200232 -NCGC00258437-01 196701943 tox21-ror-cho-viability-p1 set1 4 0.0054482673 -4.8454160119 4.5 -0.3454160119 4.9549173134 0.3441114792 0.3450667731 0.21607839 8.74598284 1.12734678 -4.87118001 0.70694582 -0.2416807 0.07157935 0.3036339 1.27245841 1.42848961 -3.54998734 1.28296127 -1.4401453 -1.32175919 2.17988107 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 624-41-9 12209 144208081 FNS 2-Methylbutyl acetate CC(=O)OCC(C)CC Tox21_200883 -NCGC00257432-01 196726575 tox21-ror-cho-viability-p1 set3 4 3.20201635 2.11485418 2.54478731 2.11315873 0.73696132 0.81742647 4.81661347 -0.17051731 5.385709 3.84468677 7.90836333 2.75135445 5.15745708 5.14479595 2.13379435 1.062E-9 2.374E-9 5.309E-9 1.187E-8 2.654E-8 5.935E-8 1.327E-7 2.968E-7 6.636E-7 0.000001484 0.000003318 0.000007419 0.00001659 0.0000371 0.00008295 1191914-21-2 44555481 144213764 A A PharmaGSID_48521 Cc1ncnc(C)c1C(=O)N2CCC(C)(CC2)N3CCC4(CC3)OC(=O)N(C[C@@H]4CCCC)CC5CCOCC5 Tox21_303454 -NCGC00248704-02 196726157 tox21-ror-cho-viability-p1 set3 4 3.3491459627 15.8802741801 1.6197258199 17.5 1.0999999999 0.585898915 0.1220156237 -2.11488919 1.21125661 7.34434681 8.94745139 -2.81689515 -1.82950593 -0.78613704 6.68971215 -0.20502185 7.96108482 5.09332707 8.69783339 17.10575843 13.45471941 5.5926619 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87-81-0 2724552 170466850 Z D-Tagatose O[C@H]1[C@@H](O)[C@H](O)CO[C@@]1(O)CO Tox21_113373_1 -NCGC00257030-01 196726566 tox21-ror-cho-viability-p1 set3 4 5.48397325 1.11601102 1.04715395 5.48267182 4.89857884 0.0068918 0.14626421 0.95661399 5.65637282 7.51438375 -2.58164531 4.83843095 4.50889013 7.05861935 5.14728102 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-69-0 8069 144213492 Butanal oxime CCC\C=N/O Tox21_303175 -NCGC00256573-01 196726569 tox21-ror-cho-viability-p1 set3 -2.2 43.2771256911 -67.7778628858 2.532065177 -65.2457977088 2.7202212143 0.9630315146 0.0000015773 11.53859239 4.12485504 -2.23122155 0.88554817 1.28894258 0.21519916 1.57357375 3.99606034 1.18627616 -2.57920428 3.32644746 3.78184013 -3.42417565 -28.1631198 -58.14075584 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-18-7 2406 144213236 A A Bithionol Oc2c(Sc1cc(Cl)cc(Cl)c1O)cc(Cl)cc2Cl Tox21_302919 -NCGC00015060-14 196726576 tox21-ror-cho-viability-p1 set3 4 0.1915438772 -12.247359004 1.5 -10.747359004 0.6 0.399815862 0.2886237951 -1.43244967 2.90975287 0.61340713 2.09162827 -4.65897069 -4.40390787 -5.27011467 -3.92103445 -4.83733606 -5.73813693 -5.89954969 -18.608605 -19.37279917 1.14975663 12.34784472 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00257438-01 196726990 tox21-ror-cho-viability-p1 set3 4 3.4376242854 8.748986988 -2.748986988 6 2.4063783767 0.4338608147 0.2569593204 2.19267171 2.24122455 -0.00921076 -1.55070184 -9.08952526 -6.35671169 -9.79082249 1.02827405 -1.41984511 -1.89749442 1.72606936 5.76983693 10.11135238 1.66124224 0.06878909 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52479-85-3 40399 144213864 A A Exifone Oc2ccc(C(=O)c1cc(O)c(O)c(O)c1)c(O)c2O Tox21_303559 -NCGC00253757-01 196724995 tox21-ror-cho-viability-p1 set3 4 0.0074978039 6.5854202279 -4.5854202279 2 4.9549173134 0.5432701798 0.1425471271 -5.08100031 -3.08701378 -5.48785019 -2.15059201 4.34293167 -0.15801376 4.07050077 4.33562965 -3.95337588 -0.527125 0.29036786 2.86098952 0.04039759 3.2865143 4.87999884 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 124-28-7 15365 170466566 Fc Fns N,N-Dimethyl-1-octadecanamine CN(C)CCCCCCCCCCCCCCCCCC Tox21_113870 -NCGC00023722-08 196724988 tox21-ror-cho-viability-p1 set3 4 3.7578035763 -16.1547503039 -0.5 -16.6547503039 2.4063783767 0.9136831687 0.0001537866 2.23619763 2.80339516 1.84483315 -1.35184087 -2.13215092 -0.83237009 -3.3234983 -3.18000619 -2.31040454 -0.8507146 -2.55460289 -9.77003135 -15.92884627 -14.12809089 -18.46229192 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-91-9 5790 170465247 A Floxuridine FC1=CN(C(=O)NC1=O)[C@H]2C[C@H](O)[C@@H](CO)O2 Tox21_110892_1 -NCGC00167769-04 196724990 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -35.0175856413 1.3292274284 -33.6883582129 4.9549173134 0.6494636736 0.0642868463 -3.3844262 1.55180256 -1.85899511 5.28245302 -5.42593505 8.66190599 -1.44506402 2.02810781 -3.25794488 -0.98204428 -2.42315082 -3.04251475 11.04716986 11.7238653 -31.69158613 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 28094-15-7 160157 170466239 Z Oxidopamine hydrochloride Cl.Oc1cc(CCN)c(O)cc1O Tox21_111324_1 -NCGC00162129-06 196724992 tox21-ror-cho-viability-p1 set3 4 0.0298492948 16.9492794399 -2.9492794399 14 0.3 0.3626890034 0.3238641718 0.3436423 0.71703978 5.40951102 -0.19434024 11.23908601 -0.7910662 3.18741223 16.49070586 12.70431195 5.89260439 6.42745753 3.62826622 14.04942201 16.38703344 1.48129943 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35891-93-1 108173 170465114 A Tocainide hydrochloride Cl.O=C(Nc1c(C)cccc1C)C(C)N Tox21_110732_1 -NCGC00163953-03 196725003 tox21-ror-cho-viability-p1 set3 -2.2 48.5577336745 -35.0252653279 0.5 -34.5252653279 3.5117481694 0.9426331575 0.0000178106 -0.39393451 -1.43485748 2.88793459 -1.23797061 1.54860551 4.93039405 -2.79375308 1.9463886 2.69957216 -2.2950576 0.24407466 0.05339429 0.85068763 -11.43603237 -31.27105444 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00259729-01 196722053 tox21-ror-cho-viability-p1 set3 -1.1 0.5503720285 -89.996472357 10.213633193 -79.782839164 0.4 0.9154291956 0.0001374427 -4.28677042 -0.19955943 -1.90368344 3.45847001 3.98800354 -22.45196666 -32.08132975 -43.51232413 -38.8020976 -37.23066283 -45.81187733 -48.36947189 -64.55644303 -70.59027891 -71.7393326 1.19E-9 2.661E-9 5.951E-9 1.331E-8 2.975E-8 6.653E-8 1.4879999999E-7 3.326E-7 7.438E-7 0.000001663 0.000003719 0.000008316 0.0000186 0.00004158 0.00009298 13463-41-7 26041 144209378 A A Zinc pyrithione [O-][n+]2ccccc2S[Zn]Sc1cccc[n+]1[O-] Tox21_202180 -NCGC00259090-01 196721661 tox21-ror-cho-viability-p1 set3 -2.1 34.3412869306 -65.8921656288 -5.023248579 -70.9154142078 2.3331733767 0.9764405028 1.221E-7 -8.33542546 -3.18560194 -2.17278997 -1.4279609 -4.91568956 -2.01683388 -9.50690938 -2.28932948 -4.76913127 -4.804115 -5.95379999 -12.27830145 -16.16363672 -45.26983791 -69.52491589 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.00004119 0.000092099999999 17796-82-6 28777 144208738 A D N-(Cyclohexylthio)phthalimide O=C3c1ccccc1C(=O)N3SC2CCCCC2 Tox21_201540 -NCGC00259920-01 196721662 tox21-ror-cho-viability-p1 set3 4 -7.0167881 -3.8649951 -3.24808047 2.05268266 -7.14510203 -6.47000418 -13.06695976 -6.40289523 -6.62087464 -4.70013018 -6.79392662 -7.43410234 -3.8437467 -2.50151264 -5.66963305 1.188E-9 2.656E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.641E-8 1.4849999999E-7 3.321E-7 7.425E-7 0.0000016599999999 0.000003712 0.0000083009999999 0.00001856 0.000041509999999 0.00009281 88-74-4 6946 144209569 A A 2-Nitroaniline O=[N+]([O-])c1ccccc1N Tox21_202371 -NCGC00258808-01 196721670 tox21-ror-cho-viability-p1 set3 4 48.2616000528 11.3943636239 -4.3943636239 7 3.5117481694 0.4730860786 0.2040292288 -5.10433001 -2.93796847 4.13080975 -3.42584823 -4.78868775 -5.95327696 -6.81740147 -3.03635786 -5.56808266 -4.91176982 -9.49530302 -8.38078608 -3.1209762 -0.33156954 6.07758611 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003668 0.000008201 0.00001834 0.000041009999999 0.00009169 95-53-4 7242 144208454 A Fc 2-Methylaniline Cc1ccccc1N Tox21_201256 -NCGC00259448-01 196722075 tox21-ror-cho-viability-p1 set3 -3 77.1936708215 -67.917428283 -0.949445898 -68.866874181 4.9549173134 0.9283044912 0.0000582967 -4.47188364 -3.00817571 -1.08687372 4.83820963 -2.96432284 -4.61571057 1.91549518 1.42911396 -3.78216225 1.14847466 -3.20747168 -2.58774999 -3.81488713 3.9024765 -54.65624935 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004132 0.0000924 100-20-9 7488 144209097 D 1,4-Benzenedicarbonyl dichloride O=C(Cl)c1ccc(cc1)C(Cl)=O Tox21_201899 -NCGC00247731-01 196722466 tox21-ror-cho-viability-p1 set3 3 67.4055501551 62.5911930999 -1.3651186399 61.22607446 3.6272481694 0.7086792971 0.0342356235 0.76973976 -0.22726848 -17.86716266 0 0 -8.32810271 -18.63228208 -1.15894324 -0.25694543 7.534117 7.38077624 6.60654892 5.0367476 6.7427789 46.3358172 1.163E-9 2.601E-9 5.816E-9 1.301E-8 2.908E-8 6.503E-8 1.454E-7 3.2509999999E-7 7.27E-7 0.0000016259999999 0.0000036349999999 0.0000081279999999 0.00001818 0.00004064 0.00009088 36415-61-9 197059 144206450 A A Ibogaine hydrochloride Cl.COc4ccc5nc1c(CC[N@]3C[C@H]2C[C@@H]1[C@@H]3[C@H](C2)CC)c5c4 Tox21_112897 -NCGC00256529-01 196718782 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -59.1918217116 1.913043778 -57.2787779336 4.9549173134 0.9596808666 0.0000025641 0.66406615 0.86622952 0.24949722 4.91552658 5.45591974 2.84668016 3.3786798 5.48612608 0.22697595 0.67159885 5.04218182 -2.18152097 -2.11979418 -1.28806079 -46.25299836 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-14-6 5280793 144213069 F F Ergocalciferol C=C3CC[C@H](O)C\C3=C\C=C1/CCC[C@]2(C)[C@H](CC[C@@H]12)[C@H](C)/C=C/[C@H](C)C(C)C Tox21_302752 -NCGC00257482-01 196718377 tox21-ror-cho-viability-p1 set2 4 -6.85005477 -8.94971468 -8.32420442 3.85880339 -5.29675981 1.64078801 -5.58999988 -5.47180438 3.76375613 -7.0504579 -0.90309993 4.43410986 -9.28586686 -5.26986958 -6.27836391 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2530-85-0 17318 144213668 F Bc 3-(Trimethoxysilyl)propyl methacrylate CO[Si](CCCOC(=O)C(=C)C)(OC)OC Tox21_303351 -NCGC00257431-01 196718772 tox21-ror-cho-viability-p1 set2 4 0.3415371 -0.12800906 -0.46832429 4.78442387 1.40629018 9.07296904 3.71821786 4.27492472 5.24341788 4.48796293 8.32830319 0.67383265 5.15072215 1.06472499 1.05134029 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-99-7 8348 144213750 A A 2-Hydroxybenzophenone O=C(c1ccccc1O)c2ccccc2 Tox21_303440 -NCGC00091163-03 196718777 tox21-ror-cho-viability-p1 set2 4 0.06036268 0.03120732 0.38986284 1.2249286 2.48761812 2.29884009 0.16533704 5.09501533 1.20518886 0.68140053 4.01979336 5.24982431 7.64663058 -0.19227069 0.59830054 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00091426-02 196718787 tox21-ror-cho-viability-p1 set2 4 -1.04198718 2.02645086 0.7239603 -1.09530425 3.57937862 1.5119052 2.36505321 2.06317402 0.52794534 -1.84038253 0.08672626 1.63977487 2.32670028 2.35106715 3.06310096 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00256327-01 196718793 tox21-ror-cho-viability-p1 set2 4 0.11768461 0.77760901 0.09515652 0.54542395 0.02677843 -0.24983098 0.65626982 2.34107105 -8.01752487 -10.78560227 -5.54321191 -4.39681846 0.44347369 3.58493477 0.16475714 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-31-8 8795 144213239 F Ac 1-(2-Aminoethyl)piperazine NCCN1CCNCC1 Tox21_302922 -NCGC00178869-03 196698350 tox21-ror-cho-viability-p1 set1 4 -4.64592047 0.61973295 -2.19050634 -1.61184875 -2.23891316 -1.7767366 -0.42320633 0.69049854 -9.06771415 -2.24863223 -3.26993651 -5.44267823 3.4723349 -0.22294742 0.11892197 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-61-7 60961 170465447 A Adenosine Nc3ncnc2c3ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Tox21_110891_1 -NCGC00262957-01 196697921 tox21-ror-cho-viability-p1 set1 4 -0.22156244 3.07577944 11.36472957 0.87706057 2.44946382 5.29763626 0.6309638 3.24378833 3.63684151 0.14602234 0.44626263 2.36378079 4.22861233 -0.03996991 -3.80436645 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 151287-22-8 216265 170466044 D F Tobicillin CC(C)C(=O)OCc4cc(OC(=O)[C@@H]2N3C(=O)[C@@H](NC(=O)Cc1ccccc1)[C@H]3SC2(C)C)ccc4 Tox21_113948 -NCGC00091423-08 196697939 tox21-ror-cho-viability-p1 set1 4 0.35609164 3.58771857 2.02110941 -1.19773471 -0.48521622 -2.12106841 -0.17821707 2.45462801 -0.23146976 -0.49721255 -0.91370444 2.76489816 -0.33010004 -0.39148801 3.08690873 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 621-42-1 12124 170466279 A 3-Acetamidophenol Oc1cccc(NC(C)=O)c1 Tox21_111130_1 -NCGC00166240-02 196698355 tox21-ror-cho-viability-p1 set1 4 1.27031182 -2.84025006 0.41306114 -2.18893567 -2.45787949 0.95973236 0.08589609 -3.74226178 -5.03975792 -0.87539965 0.46191501 0.37675164 -1.2122025 1.69840707 1.90926468 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 140-87-4 8820 170466231 Z Cyacetacide N#CCC(=O)NN Tox21_112366_1 -NCGC00254108-01 196720848 tox21-ror-cho-viability-p1 set3 4 10.58324984 5.22337131 4.42416137 9.12139637 -0.5429138 20.29103793 11.86762759 -0.66749797 6.63593264 7.19336066 -0.55881052 1.56595216 2.29648236 -0.42660818 2.00157228 7.9629999999E-10 1.781E-9 3.982E-9 8.9029999999E-9 1.991E-8 4.452E-8 9.954E-8 2.226E-7 4.9769999999E-7 0.000001113 0.0000024879999999 0.000005564 0.00001244 0.000027819999999 0.00006221 263553-33-9 60196400 144210539 A A GW473178E methyl benzene sulphonic acid O=S(=O)(O)c1ccc(C)cc1.CC(C)N(CC)C(=O)c1cc(C)cc(c1)OC[C@H](C)Nc2ccncc2 Tox21_300219 -NCGC00254732-01 196720842 tox21-ror-cho-viability-p1 set3 4 0.1368542878 8.488921772 1.011078228 9.5 0.7999999999 0.4048671196 0.2683171704 9.01481539 -0.47158397 1.43106139 4.68530785 -1.65743481 1.81181556 10.57232717 7.77467968 3.03531477 9.16009808 10.77897499 12.34677994 8.22317853 9.81867875 7.75810708 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98967-40-9 91759 144211145 A A Flumetsulam Fc3cccc(F)c3NS(=O)(=O)c1nc2nc(C)ccn2n1 Tox21_300828 -NCGC00254446-01 196720845 tox21-ror-cho-viability-p1 set3 4 27.3060203028 -13.916280408 9.5 -4.416280408 3.1924983358 0.4908591339 0.1868084414 3.91964985 4.71288039 2.81697394 10.40554163 8.20861191 6.07041389 10.77031306 9.47792656 15.38489023 12.38435177 19.41687966 7.36005347 6.75307358 -1.34394618 -4.09690034 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-07-2 379 144210663 A A Octanoic acid O=C(O)CCCCCCC Tox21_300345 -NCGC00254149-01 196720846 tox21-ror-cho-viability-p1 set3 4 4.2058827 -2.58015501 12.86415524 10.51547392 10.59563807 -4.25136856 3.2073809 6.88652702 -2.58130797 10.80317401 2.01549562 -3.38260316 6.56638281 1.19357711 3.53690897 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-16-3 6582 144210512 A A N-Methylacetamide CC(=O)NC Tox21_300192 -NCGC00259632-01 196721233 tox21-ror-cho-viability-p1 set3 4 -7.02645609 1.4889 2.30830009 -8.52641811 -4.38074046 -3.22676735 0.15741113 -4.64443061 -3.64849468 3.8445168 -2.48627249 0.08791446 -3.17173281 -7.64678592 -6.25033457 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.000003681 0.00000823 0.000018399999999 0.00004115 0.00009201 111-55-7 8121 144209281 B A 1,2-Ethanediol diacetate CC(=O)OCCOC(=O)C Tox21_202083 -NCGC00258996-01 196721234 tox21-ror-cho-viability-p1 set3 4 27.1394921295 9.9192027519 -3.9192027519 6 4.9549173134 0.6760463993 0.0502022005 -6.18266896 -3.75364601 -4.54710337 2.37200274 -4.37538506 -5.0757353 -4.17179506 -2.66242182 -5.87694104 -2.43439516 -4.45366244 -5.1011016 -5.24973929 7.17450196 4.01040586 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 0.000091709999999 98-56-6 7394 144208643 AC Fns 1-Chloro-4-(trifluoromethyl)benzene FC(F)(F)c1ccc(Cl)cc1 Tox21_201445 -NCGC00260010-01 196721247 tox21-ror-cho-viability-p1 set3 -2.4 74.4190326907 -32.785608592 -4.27857132 -37.064179912 3.0654483358 0.9079158367 0.0002140817 -7.0204628 -7.20600065 -3.56540769 -2.22712019 -1.0654761 -3.58436473 -2.76642882 -3.3929645 -4.97731653 -2.88397791 -6.77982605 -5.79875636 -6.92402024 -8.73991704 -27.55348326 1.2629999999E-9 2.824E-9 6.3139999999E-9 1.412E-8 3.157E-8 7.059E-8 1.579E-7 3.5299999999E-7 7.893E-7 0.0000017649999999 0.000003946 0.0000088239999999 0.00001973 0.00004412 0.00009866 26628-22-8 33557 144209659 Sodium azide [Na+].[N-]=[N+]=[N-] Tox21_202461 -NCGC00259034-01 196721250 tox21-ror-cho-viability-p1 set3 4 20.1993642788 11.353455648 -7.353455648 4 0.2 0.4434395483 0.2359033399 -6.84529658 -4.82733468 -4.0021959 -8.21121304 -3.56549129 -4.36366024 -3.40033258 -3.29461022 -3.40732053 -0.06726372 -5.4905271 -3.8285951 -3.55365391 -1.96207078 1.95212901 1.224E-9 2.7369999999E-9 6.1209999999E-9 1.369E-8 3.0599999999E-8 6.843E-8 1.5299999999E-7 3.422E-7 7.651E-7 0.000001711 0.000003826 0.000008554 0.000019129999999 0.00004277 0.00009564 123-76-2 11579 144208681 A A 4-Oxopentanoic acid CC(=O)CCC(=O)O Tox21_201483 -NCGC00258809-01 196721632 tox21-ror-cho-viability-p1 set3 4 21.6899429044 8.6063633319 -6.1063633319 2.5 3.2974983358 0.6932337971 0.0418789042 -6.94315356 -6.09054266 -6.57290073 -1.66834683 -8.83863611 -7.1287723 -7.7907303 -5.71994687 -8.42355801 -5.38311699 -2.48876769 -6.60208675 -2.89217972 1.48391425 2.36860622 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 123-92-2 31276 144208455 FNS 3-Methylbutyl acetate CC(=O)OCCC(C)C Tox21_201257 -NCGC00260302-01 196703586 tox21-ror-cho-viability-p1 set1 4 2.51194491 -2.46453483 -2.21655041 7.70871586 0.26595637 -3.29174269 1.89845043 -0.23858267 0.1163231 2.36123332 3.77641113 -2.45925626 2.66750282 2.2385768 0.43257435 2.923E-10 6.537E-10 1.462E-9 3.268E-9 7.308E-9 1.634E-8 3.654E-8 8.171E-8 1.827E-7 4.086E-7 9.1349999999E-7 0.000002043 0.0000045679999999 0.00001021 0.000022839999999 10595-72-9 82751 144209953 Fns Di(tridecyl) thiodipropionate O=C(OCCCCCCCCCCCCC)CCSCCC(=O)OCCCCCCCCCCCCC Tox21_202755 -NCGC00259588-01 196706479 tox21-ror-cho-viability-p1 set1 4 3.63431254 7.3897409 5.06203938 2.19717703 2.45669971 1.75526071 3.20728193 3.02995301 -0.0849811 0.48238993 1.94642297 1.42213938 1.18318634 2.53902845 1.27022973 1.142E-9 2.553E-9 5.7099999999E-9 1.277E-8 2.8549999999E-8 6.383E-8 1.4269999999E-7 3.1919999999E-7 7.1369999999E-7 0.000001596 0.000003568 0.000007979 0.00001784 0.000039899999999 0.00008921 473-55-2 10129 144209237 FNS Pinane CC2(C)C1CC2C(C)CC1 Tox21_202039 -NCGC00260200-01 196703594 tox21-ror-cho-viability-p1 set1 -2.1 60.7577547203 -109.5410572972 -0.477930344 -110.0189876412 2.3531167061 0.9224638254 0.0000877264 2.16887688 4.91536941 -0.40430161 6.43158553 2.6065694 5.3625824 3.84219067 2.54706708 -2.06197941 -2.60204022 -7.59718961 -12.77992274 -18.56631924 -23.52476836 -83.34771791 1.1739999999E-9 2.625E-9 5.871E-9 1.3129999999E-8 2.9349999999E-8 6.564E-8 1.468E-7 3.282E-7 7.338E-7 0.000001641 0.000003669 0.000008204 0.00001835 0.00004102 0.00009173 219947-96-3 24944555 144209850 A A 1-Methyl-3-octadecylimidazolium hexafluorophosphate F[P-](F)(F)(F)(F)F.C[n+]1ccn(CCCCCCCCCCCCCCCCCC)c1 Tox21_202652 -NCGC00357196-01 196703193 tox21-ror-cho-viability-p1 set1 4 0.5998951 1.3044621 0.27061286 1.31669785 -0.9409247 1.81839969 1.91367805 0.36666969 2.47499304 1.56894449 -0.87278604 -0.84895424 0.03088518 4.46345953 -0.21463407 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 1163-19-5 14410 251919640 BDE-209 Brc2c(Oc1c(Br)c(Br)c(Br)c(Br)c1Br)c(Br)c(Br)c(Br)c2Br Tox21_303970 -NCGC00260634-01 196703592 tox21-ror-cho-viability-p1 set1 4 0.22144026 0.602548 -1.75829679 2.2616958 0.78549971 -1.82741537 2.44579903 3.66367642 5.51633701 1.87380229 5.01068026 3.57516746 1.46882802 -0.80319204 5.48650228 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49530 144210287 M M NTP Mix110 ER1 10-EQC Tox21_203089 -NCGC00357116-01 196703596 tox21-ror-cho-viability-p1 set1 4 -6.18584535 -9.25189004 -8.45892701 -3.30808377 -9.08930014 -8.23974399 1.02615217 -1.07295755 5.31337861 -2.93471739 -3.17325194 -9.73288996 -15.42039635 -11.56368061 4.32175572 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 144-74-1 12285822 251919870 A Sulfathiazole sodium [Na+].O=S(=O)([N-]c1nccs1)c2ccc(N)cc2 Tox21_303846 -NCGC00357263-01 196703601 tox21-ror-cho-viability-p1 set1 4 -5.51417961 -8.21476625 0.81072388 -5.77413018 -9.52002041 -10.91599403 -0.51420535 0.31260957 -3.7190088 -10.34968292 0.38643543 0.21130056 -11.04171172 0.84305288 -3.82320284 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 563-04-2 11232 251919691 Ac Tri-m-tolyl phosphate Cc1cc(ccc1)OP(=O)(Oc2cc(C)ccc2)Oc3cc(C)ccc3 Tox21_303758 -NCGC00260449-01 196703603 tox21-ror-cho-viability-p1 set1 4 -2.34955186 -2.07538711 -9.20551863 -1.73565954 -0.48863116 2.68234912 0.77756998 -1.07004918 -0.69757035 0.79486848 6.20721942 -9.57683195 2.39485799 -0.34099763 1.12578073 1.188E-9 2.657E-9 5.941E-9 1.3279999999E-8 2.9699999999E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016609999999 0.000003713 0.000008303 0.00001856 0.000041509999999 0.00009282 81103-11-9 5284534 144210101 A Clarithromycin CN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]2C(C)[C@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)OC)[C@@H]3O Tox21_202903 -NCGC00257823-01 196704009 tox21-ror-cho-viability-p1 set1 4 0.16354192 -4.10205552 0.03806388 -3.20637888 -0.00584377 -0.38111655 -2.44250406 0.78096953 -8.3795353 -0.10342858 -0.8927585 0.85031462 -2.55184868 0.75994965 -7.42520779 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.0000016719999999 0.0000037379999999 0.000008358 0.00001869 0.00004179 0.00009344 102-08-9 700999 144207467 A A Thiocarbanilide S=C(Nc1ccccc1)Nc2ccccc2 Tox21_200269 -NCGC00090698-04 196704020 tox21-ror-cho-viability-p1 set1 4 1.44634318 1.30181932 1.54477472 5.42866273 -3.82716845 0.57312787 3.07042813 -1.03525818 -2.929793 -0.82723123 -5.16652899 0.16377052 1.05589861 1.46944897 5.20219394 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00260062-01 196704023 tox21-ror-cho-viability-p1 set1 4 -4.81310567 3.83893175 3.44806267 0.7615987 4.25057718 0.96335699 0.02134227 -0.53186085 4.98697195 1.13619231 1.56550594 1.68658873 3.4012022 -0.64453199 4.31894061 1.198E-9 2.679E-9 5.991E-9 1.34E-8 2.995E-8 6.698E-8 1.4979999999E-7 3.3489999999E-7 7.488E-7 0.0000016739999999 0.000003744 0.0000083719999999 0.000018719999999 0.000041859999999 0.000093599999999 140-88-5 8821 144209711 Fns Ethyl acrylate C=CC(=O)OCC Tox21_202513 -NCGC00273482-01 196704422 tox21-ror-cho-viability-p1 set1 4 -0.04146074 0.21235917 3.36582318 0.43832692 -0.48321866 -2.54373945 0.06502132 3.6017913 2.42422408 2.24558662 5.42785408 4.64691297 -0.68161703 0.68990496 3.45153522 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7177-50-6 23704143 170465253 A Nafcillin sodium monohydrate [Na+].O.O=C([O-])[C@@H]3N4C(=O)[C@@H](NC(=O)c1c2ccccc2ccc1OCC)[C@H]4SC3(C)C Tox21_110767_1 -NCGC00021666-04 196704431 tox21-ror-cho-viability-p1 set1 4 0.0007497804 13.943014912 -11.443014912 2.5 4.9549173134 0.5118318533 0.169319065 -8.28584576 2.77539534 -1.73878315 3.39346876 3.97122038 4.65097953 -4.63233096 3.63864812 4.62061786 1.68611329 3.46204729 1.26181051 3.82063999 1.35001203 6.15040172 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55096-26-9 5284594 170465281 A Nalmefene C=C1CC[C@@]6(O)[C@H]3Cc5ccc(O)c4O[C@@H]1[C@]6(CCN3CC2CC2)c45 Tox21_110873_1 -NCGC00257111-01 196727074 tox21-ror-cho-viability-p1 set3 4 0.63892526 1.46807696 0.03535301 3.02530485 1.55039687 1.02948405 4.29343821 2.81782364 -1.24825529 0.63299313 1.06989859 4.26572541 -1.47938074 4.4633495 1.19741574 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-00-2 66688 144213536 A A 2,2'-(3-Chlorophenylimino)diethanol Clc1cc(ccc1)N(CCO)CCO Tox21_303219 -NCGC00256532-01 196727084 tox21-ror-cho-viability-p1 set3 4 3.90458056 1.15221782 0.95879262 -0.57197784 -0.59156686 0.30350233 -5.58251977 3.14454978 -0.38965835 3.72712142 2.57834666 -1.16729329 1.88998724 2.65614607 0.11878999 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 932-83-2 13613 144213137 A A N-Nitrosohexamethyleneimine O=NN1CCCCCC1 Tox21_302820 -NCGC00256530-01 196726670 tox21-ror-cho-viability-p1 set3 4 -5.03820405 -6.67407093 -7.36612008 -4.20426322 -7.92005782 0.45820961 0.56805796 0.07075328 -6.8464439 0.12153754 -0.07384904 -5.95687362 -7.62962501 -4.52138616 -0.74986378 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 62-56-6 2723790 144213084 A Thiourea NC(N)=S Tox21_302767 -NCGC00257223-01 196727073 tox21-ror-cho-viability-p1 set3 4 2.08079366 0.63948025 0.25048068 0.93263413 -3.98047504 -1.02601596 0.04789446 -4.56893407 -0.55799042 -1.17680988 -4.03414149 0.13851251 1.224076 -0.1618311 1.60960975 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 3268-49-3 18635 144213474 F 3-(Methylthio)propanal O=CCCSC Tox21_303157 -NCGC00256863-01 196727492 tox21-ror-cho-viability-p1 set3 4 0.65818464 1.48364646 -3.25436779 -10.25922679 0.85882593 -1.61651706 1.13244241 0.10650997 1.69533573 1.56365781 3.34693735 0.31534726 2.07836195 -1.489507 3.27617508 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-41-1 31255 144212964 AC Ac Choline hydroxide [OH-].C[N+](C)(C)CCO Tox21_302647 -NCGC00257033-01 196727497 tox21-ror-cho-viability-p1 set3 4 -4.24813126 1.74991128 -0.25307492 0.07505589 1.5161304 0.74614674 4.03402819 1.36909599 0.09611602 3.85836456 3.6280177 3.31146082 1.56920097 3.70554474 1.72696952 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 3033-62-3 18204 144213533 Cc Ac Bis[2-(dimethylamino)ethyl]ether CN(C)CCOCCN(C)C Tox21_303216 -NCGC00164164-02 196727502 tox21-ror-cho-viability-p1 set3 4 0.0769588215 -7.41401582 -1 -8.41401582 4.9549173134 0.321685521 0.3620457258 -1.68385048 -3.05076588 1.4147235 -0.87272267 -0.62062787 -2.78622103 -17.01167985 -3.27235 -15.29800875 -13.55539006 -15.21181265 -1.61858582 -2.67404184 -0.11018775 0.28323964 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00257161-01 196727504 tox21-ror-cho-viability-p1 set3 4 3.86790232 0.52774939 -1.75806619 0.79203303 1.83848315 2.40266414 3.23544414 -0.43733753 2.07083628 -0.02877386 0.47692014 0.87145561 2.42467586 1.66271506 -1.49112055 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2461-15-6 17162 144213443 A Ac 2-Ethylhexyl glycidyl ether CCC(CCCC)COCC1CO1 Tox21_303126 -NCGC00256047-01 196727903 tox21-ror-cho-viability-p1 set3 4 1.43826009 1.44600871 0.43950511 3.67071703 2.48766867 -1.439726 5.4237807 5.01319841 2.28358644 0.44744855 2.3305019 -3.80186956 0.3454171 -2.35438713 -2.5307585 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-16-8 66571 144211769 A A 4-(2,5-Diethoxy-4-nitrophenyl)morpholine [O-][N+](=O)c1cc(OCC)c(cc1OCC)N2CCOCC2 Tox21_301452 -NCGC00255237-01 196727904 tox21-ror-cho-viability-p1 set3 4 1.81458284 -0.11305301 4.16108155 3.18282203 5.82399463 0.4776113 2.63494352 5.28492051 7.88090208 1.24930359 1.64044302 -1.056315 0.63386133 0.51323229 0.86958965 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25954-13-6 33256 144212234 A A Fosamine ammonium [NH4+].NC(=O)P([O-])(=O)OCC Tox21_301917 -NCGC00255232-01 196727908 tox21-ror-cho-viability-p1 set3 2.4 8.9607420849 22.677560588 0.822439412 23.5 2.3331733767 0.8468740427 0.003815758 1.65382656 -0.74364742 -0.58546113 -4.73130049 2.25149774 -0.1191106 4.53528285 1.67137598 1.31202619 3.11260499 3.02979191 0.56206722 11.62819919 19.40985416 -12.74837441 5.1319999999E-10 1.148E-9 2.566E-9 5.738E-9 1.2829999999E-8 2.8689999999E-8 6.415E-8 1.434E-7 3.2069999999E-7 7.1719999999E-7 0.000001604 0.0000035859999999 0.000008018 0.00001793 0.00004009 59865-13-3 5284373 144212166 F Cyclosporin A C[C@H](C\C=C\C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C)C(C)C Tox21_301849 -NCGC00255325-01 196728320 tox21-ror-cho-viability-p1 set3 4 5.4482673282 16.2077336119 -7.7077336119 8.5 4.9549173134 0.5457049746 0.1387385116 -2.30077553 -16.57588409 -7.25253066 -9.09804964 -18.08977801 -9.99842306 0.81080738 7.27222551 -4.72791891 -11.74246128 -9.75649596 9.8939026 11.55317657 8.07423956 4.44156366 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1300-73-8 6893 144212153 I Fns Dimethylaniline Cc1cccc(N)c1C Tox21_301836 -NCGC00025283-02 196713438 tox21-ror-cho-viability-p1 set2 4 2.6557978 1.61070965 1.6038358 0.17077143 1.2058636 1.70306554 0.2101794 0.42990033 3.03612275 0.96512509 1.29710207 2.14687182 0.97800392 4.06258039 1.43951738 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72420-38-3 51576 170466616 Ac Acifran CC1(OC(=CC1=O)C(=O)O)c2ccccc2 Tox21_110958_1 -NCGC00254866-01 196720476 tox21-ror-cho-viability-p1 set3 4 -0.58462086 -10.32830126 -3.43776192 3.10459088 -1.24741213 0.44497686 2.27617811 1.41962782 3.47463471 -7.9931472 3.924567 3.39497671 -1.55102552 -7.10257624 2.6276711 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2832-19-1 62466 144211281 D 2-Chloro-N-(hydroxymethyl)acetamide ClCC(=O)NCO Tox21_300964 -NCGC00254380-01 196720055 tox21-ror-cho-viability-p1 set3 -1.1 1.7228934059 -93.3167841051 0 -93.3167841051 4.4494702849 0.992994664 1E-10 -0.13878966 -2.14762081 4.13048849 -2.82061553 4.52814579 -0.20269216 -1.24399236 -2.25818245 0.67025651 -43.24767626 -96.27699482 -97.81633554 -91.89028277 -92.16290435 -85.00059151 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2155-70-6 16682828 144210727 A A Tributyltin methacrylate CCCC[Sn](CCCC)(OC(=O)C(=C)C)CCCC Tox21_300409 -NCGC00254800-01 196720467 tox21-ror-cho-viability-p1 set3 4 1.30927397 3.56989392 11.54086537 2.6261109 11.09295325 7.39894592 11.87663675 9.47859397 0.5320329 0.0540959 7.16151335 11.11862406 -1.10427708 12.94135672 8.14401861 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 54593-83-8 91655 144211213 A Fns Chlorethoxyfos CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl Tox21_300896 -NCGC00254020-01 196720470 tox21-ror-cho-viability-p1 set3 4 -15.31431661 -13.09116561 -6.42524978 -11.99018954 -10.25197808 -10.0800093 -1.62560145 -2.11765132 -7.25830595 -11.52037664 -7.28858749 -8.49394044 -7.70607395 -12.40413701 -2.30257825 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 732-26-3 12902 144210441 A 2,4,6-Tris(tert-butyl)phenol CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(C)(C)C Tox21_300121 -NCGC00254576-01 196720480 tox21-ror-cho-viability-p1 set3 4 0.0038570779 16.803284756 -18.303284756 -1.5 0.7 0.7410840902 0.0288550444 -13.58607063 -12.04880517 -7.14549471 -2.5949318 -9.2560204 -3.56079678 -3.59742248 -3.12753613 1.21500464 -3.68109356 -2.650464 -3.67972905 1.20521959 -0.62737799 -11.86402436 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19666-30-9 29732 144210985 A A Oxadiazon O=C2OC(=NN2c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C Tox21_300668 -NCGC00254356-01 196720876 tox21-ror-cho-viability-p1 set3 -2.4 72.8297298982 -34.321406316 -3.5 -37.821406316 4.9549173134 0.8789950641 0.0008244702 -0.19082316 -3.21686207 -3.72599795 -4.65226987 -5.95943215 -5.10129558 -0.30753 -3.82949435 -6.29050957 -2.79248796 -6.86232202 -4.12875745 0.42039031 -0.75864823 -29.85117193 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 79-94-7 6618 144210878 A A 3,3',5,5'-Tetrabromobisphenol A Brc1cc(cc(Br)c1O)C(C)(C)c2cc(Br)c(O)c(Br)c2 Tox21_300561 -NCGC00254600-01 196720877 tox21-ror-cho-viability-p1 set3 4 1.7228934059 -13.18317932 0 -13.18317932 4.9549173134 0.6173865502 0.0980275385 -3.59772542 -6.18479451 -10.86730962 5.06643256 -0.71087544 2.43581855 3.52176654 3.79958206 4.76939613 -6.26592148 -18.0693161 -12.12038585 -11.44027957 -11.05023568 -3.54916901 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14979-39-6 26989 144211009 I 4-Methyl-3-heptanol CC(CCC)C(O)CC Tox21_300692 -NCGC00254378-01 196720880 tox21-ror-cho-viability-p1 set3 4 4.09623616 -0.18963109 0 0 10.59238903 1.84083776 8.40193965 -1.77077377 2.71116755 8.67482819 8.80038624 0.72515707 1.02161494 1.98414338 3.98435206 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 445295-04-5 9955578 144210764 A A CP-671305 O=C(O)[C@@H](C)Oc4ccc(CNC(=O)c3cccnc3Oc1ccc2OCOc2c1)c(F)c4 Tox21_300446 -NCGC00254787-01 196720884 tox21-ror-cho-viability-p1 set3 4 8.58408479 4.12999966 -1.47039507 5.20679347 4.92314455 -1.67117969 -7.26031138 13.30145327 -6.86568103 -5.0401195 13.22068282 11.29706021 11.98011854 4.5539201 8.35232205 1.2279999999E-9 2.746E-9 6.1399999999E-9 1.3729999999E-8 3.07E-8 6.865E-8 1.535E-7 3.4329999999E-7 7.676E-7 0.000001716 0.0000038379999999 0.000008582 0.00001919 0.000042909999999 0.000095939999999 1121-76-2 70724 144211200 A Ac 4-Chloropyridine 1-oxide [O-][n+]1ccc(Cl)cc1 Tox21_300883 -NCGC00254308-01 196720886 tox21-ror-cho-viability-p1 set3 4 0.0019331182 15.293258276 -17.293258276 -2 0.6 0.477325217 0.2001518947 -9.82756593 -13.57771523 -3.79127307 -1.52477563 -9.09124871 -6.12700644 -1.38759936 -0.23983048 -1.23599581 -2.51870741 -5.2485978 -5.218994 -3.13787388 -1.11862614 2.24734692 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-66-7 7061 144210886 A B N,N-Diethylaniline CCN(CC)c1ccccc1 Tox21_300569 -NCGC00259277-01 196721297 tox21-ror-cho-viability-p1 set3 4 30.5132723993 11.5439273759 -3.5439273759 8 4.9549173134 0.5278517772 0.1544878338 -6.80268506 1.61825221 2.51824534 3.65797404 -4.97195298 -7.11993948 -5.74646228 -4.01481743 -4.83074319 -0.60537084 -6.01049038 -5.52351522 -5.48299417 8.23055388 7.17382425 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.315E-8 2.9389999999E-8 6.573E-8 1.4699999999E-7 3.2859999999E-7 7.3489999999E-7 0.000001643 0.000003674 0.0000082159999999 0.00001837 0.00004108 0.000091859999999 97-42-7 7335 144208926 I I Carvyl acetate O=C(C)OC1CC(CC=C1C)C(=C)C Tox21_201728 -NCGC00256648-01 196718817 tox21-ror-cho-viability-p1 set2 4 0.2433651621 4.19527916 -4.19527916 0 4.9549173134 0.3286693741 0.3422522266 -3.5202432 0 -6.89864705 1.61751561 -8.0793993 -7.36377065 -6.96540713 0.73606446 1.21290849 0.00945132 -0.18605777 -4.97480543 -0.09882244 -1.29172507 4.32684974 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 38462-22-5 61982 144212896 F F p-Mentha-8-thiol-3-one CC1CC(=O)C(CC1)C(S)(C)C Tox21_302579 -NCGC00259379-01 196722049 tox21-ror-cho-viability-p1 set3 4 23.9163917037 6.1637736799 -6.1637736799 0 4.0949729863 0.5271917722 0.1572268396 -9.7198114 -4.83293108 -4.40246364 -4.89536231 -5.12673778 -8.30465971 -4.13172391 -9.6413379 -4.75472186 -4.2673899 -7.03924767 -9.27746184 -3.90471415 -1.47881301 0.91264213 1.163E-9 2.601E-9 5.8149999999E-9 1.2999999999E-8 2.908E-8 6.502E-8 1.454E-7 3.2509999999E-7 7.269E-7 0.000001625 0.0000036349999999 0.000008127 0.00001817 0.00004064 0.00009087 111-14-8 8094 144209028 A A Heptanoic acid CCCCCCC(=O)O Tox21_201830 -NCGC00259137-01 196722047 tox21-ror-cho-viability-p1 set3 -2.1 34.726127359 -67.5123977734 -7.179238025 -74.6916357984 2.4063783767 0.9438948777 0.0000157299 -11.77814304 -13.93713281 -5.43686476 3.56528633 -5.86957709 -10.84178328 -8.403436 -8.79327213 -9.01060123 -0.2054586 -8.11764528 -9.09900105 -14.02449115 -52.22185594 -73.22709392 1.19E-9 2.661E-9 5.95E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003719 0.000008315 0.00001859 0.00004158 0.00009297 63-92-3 5284441 144208786 B Fns Phenoxybenzamine hydrochloride Cl.CC(COc1ccccc1)N(Cc2ccccc2)CCCl Tox21_201588 -NCGC00163754-04 196722439 tox21-ror-cho-viability-p1 set3 4 3.7578035763 -8.7936792759 2.5 -6.2936792759 1.692447691 0.5195466839 0.1790832526 -0.97953268 -2.08041543 6.37918967 0.58605711 6.34071452 4.17831763 1.12225306 4.36164707 1.52834968 1.40663169 -0.66762946 0.1689321 -7.74473273 -4.02857851 10.77847146 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57837-19-1 42586 170466808 A Metalaxyl CC(N(C(=O)COC)c1c(C)cccc1C)C(=O)OC Tox21_112070_1 -NCGC00015067-14 196722440 tox21-ror-cho-viability-p1 set3 2.4 26.6032120037 20.3776437879 -0.3776437879 20 4.9549173134 0.7057602645 0.0356862725 4.47040022 -0.93935937 0.49429536 2.49046875 4.52417044 -0.06953262 1.48584586 -5.56687201 -2.0474326 2.95073302 -6.14803649 -3.41625944 -1.66465382 4.35495637 18.8497213 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-78-2 2244 170465039 Z Aspirin O=C(C)Oc1ccccc1C(=O)O Tox21_110076_1 -NCGC00167536-03 196722444 tox21-ror-cho-viability-p1 set3 1.2 0.3757803576 35.337361987 -2.083394287 33.2539677 1.8079476909 0.9497343136 0.0000086541 -2.53158949 -1.38840353 0.75276526 -1.67046104 -1.53440537 -2.45598248 -0.42250086 0.71967023 19.68216501 22.74376694 31.63035468 29.63276237 33.18609303 27.33743782 42.9232795 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 115964-29-9 93858 170466053 A Tosufloxacin toluenesulfonic acid O=S(=O)(O)c1ccc(C)cc1.O=C(O)C2=CN(c1nc(c(F)cc1C2=O)N3CCC(N)C3)c4ccc(F)cc4F Tox21_112533_1 -NCGC00016660-06 196722446 tox21-ror-cho-viability-p1 set3 4 1.333319023 -10.172260636 4.5 -5.672260636 0.6 0.3526862042 0.3338677264 -0.3232484 6.02932097 5.97472988 10.79822402 -4.3921441 9.70254321 1.16484391 -2.33351453 4.34833896 0.30222622 -0.68801783 -1.56311388 -5.14355053 -3.1133991 8.90026997 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5728-52-9 3332 170465835 A Felbinac OC(=O)Cc1ccc(cc1)c2ccccc2 Tox21_110549_1 -NCGC00013414-04 196722848 tox21-ror-cho-viability-p1 set3 4 0.5955717307 10.923918728 -0.423918728 10.5 4.9549173134 0.46205112 0.2128235556 5.4506618 -1.37208354 5.9715505 4.6023937 0.8941873 -9.5461583 6.43259979 -13.68659894 -1.58857226 11.0776625 13.02992081 8.67759797 4.96014925 10.48219604 14.51026694 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23249-97-0 65708 170466381 A Procodazole O=C(O)CCc1nc2ccccc2n1 Tox21_110025_1 -NCGC00090997-11 196722861 tox21-ror-cho-viability-p1 set3 4 0.421632496 -9.533507296 2.5 -7.033507296 4.9549173134 0.5427407723 0.1575162519 3.15303245 1.69688744 -2.23480091 -2.04046996 6.74931836 8.30540338 -4.98457585 10.28271579 -1.64792612 -6.81348464 -6.3068162 -9.61125608 -9.59414593 -3.14369704 7.0936402 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62-73-7 3039 170466226 Z Dichlorvos COP(=O)(OC)O\C=C(\Cl)Cl Tox21_111052_1 -NCGC00168342-02 196721673 tox21-ror-cho-viability-p1 set3 4 -14.20674841 -10.24258492 -2.77733029 -1.39417156 -4.40199116 -14.2303538 -7.69647032 -9.09527253 -9.94373244 -5.13428128 -4.6996028 -14.12746589 -4.85585318 -0.72086825 -7.77359926 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00163774-04 196721266 tox21-ror-cho-viability-p1 set3 4 25.2052804188 -8.012669696 0.5 -7.512669696 2.7202212143 0.4800021517 0.1983380911 1.95676253 -1.13560905 -4.2169225 -4.65250227 0.93369153 2.25285684 2.43318084 0.31869872 3.77659856 2.17210692 2.86180139 -2.85030177 -0.03826832 -7.51055808 -6.47631513 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00259745-01 196721652 tox21-ror-cho-viability-p1 set3 4 21.9328017871 9.859321208 -9.716662272 0.142658936 4.9549173134 0.36288613 0.3250653949 -15.59721856 -12.39928105 -8.87219924 -3.08555208 -6.86910484 -12.32103251 -5.03674276 -12.30503642 -6.62679431 -9.63084155 -9.18398483 -12.6160388 -6.34611949 -0.29778422 -5.06710467 1.191E-9 2.664E-9 5.9569999999E-9 1.332E-8 2.979E-8 6.66E-8 1.489E-7 3.33E-7 7.446E-7 0.000001665 0.0000037229999999 0.0000083249999999 0.00001862 0.00004163 0.00009308 612-82-8 108938 144209394 A A 3,3'-Dimethylbenzidine dihydrochloride Cl.Cl.Cc1cc(ccc1N)c2ccc(N)c(C)c2 Tox21_202196 -NCGC00247932-02 196704843 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -16.3010378319 1 -15.3010378319 4.9549173134 0.8756624037 0.0009559435 0.33107746 4.32064366 1.28046008 0.6900262 -0.83666196 -0.15537489 1.08637891 1.4020056 -0.00334729 0.66941483 1.60196895 2.35049526 -0.95390015 0.67823143 -12.75086486 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127308-98-9 60196362 170466398 A Zamifenacin fumarate O=C(O)/C=C/C(=O)O.c1cc(cc2OCOc12)CCN5CCC[C@H](OC(c3ccccc3)c4ccccc4)C5 Tox21_113572_1 -NCGC00091632-02 196705248 tox21-ror-cho-viability-p1 set1 4 -3.87088366 -7.59666877 0.52026249 -3.34010255 -0.27384654 -0.75680318 -2.10974631 -1.07801999 -3.84909092 -3.18846994 -0.11176532 -0.49647012 -0.87147592 -1.42130369 -7.341732 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00164516-02 196705252 tox21-ror-cho-viability-p1 set1 4 -5.43182517 -0.03718252 -2.79561321 -2.69761445 -0.00175533 0.76266343 -1.45382085 -0.23719401 -2.74787687 -5.43649569 0.95745032 -1.36090101 -1.17664419 0.86255233 1.32532287 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87940-60-1 65659 170466331 C Eprobemide Clc1ccc(cc1)C(=O)NCCCN2CCOCC2 Tox21_112151_1 -NCGC00091345-04 196705256 tox21-ror-cho-viability-p1 set1 4 1.95998774 0.54072766 3.42065714 0.0758605 1.62487952 3.11316734 0.03023775 4.79422447 3.50828387 0.51387608 5.8222396 -0.25600022 0.18418048 4.31158877 1.95957703 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 124-04-9 196 170465352 A Hexanedioic acid OC(=O)CCCCC(=O)O Tox21_111118_1 -NCGC00166115-02 196705267 tox21-ror-cho-viability-p1 set1 -2.1 13.3331902297 -82.7312957747 1.3053999624 -81.4258958123 2.2481167061 0.9936978391 1E-10 -2.06238084 -0.01928103 -1.01263469 2.37214167 1.84482448 2.37803692 3.78339621 4.06269113 3.17969196 -0.12381752 -1.51407556 -3.47633255 -25.08594997 -59.91810247 -79.82930962 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77-58-7 16682738 170466843 F Dibutyltin dilaurate O=C(O[Sn](CCCC)(OC(=O)CCCCCCCCCCC)CCCC)CCCCCCCCCCC Tox21_112324_1 -NCGC00259705-01 196705672 tox21-ror-cho-viability-p1 set1 4 4.59030464 -3.7724243 -1.76503536 -4.82055783 -4.01566429 -0.80395612 -2.28333394 -1.33893876 2.42326474 -12.60016465 3.69646985 3.73047007 -0.75621737 6.09916026 4.64031854 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.481E-7 3.311E-7 7.4029999999E-7 0.000001655 0.000003701 0.0000082769999999 0.00001851 0.00004138 0.00009253 689-67-8 19633 144209354 A A 6,10-Dimethyl-5,9-undecadiene-2-one C/C(C)=C\CCC(C)=CCCC(C)=O Tox21_202156 -NCGC00259040-01 196705680 tox21-ror-cho-viability-p1 set1 4 -0.14632975 3.16679421 -0.28296804 5.00936844 -1.59654958 -0.75221359 -0.96618438 3.72916604 -0.8593998 13.88000944 -0.00992981 -6.24729192 -6.7350423 1.51661244 -0.90957824 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 839-90-7 13286 144208687 A A Tris(2-hydroxyethyl) isocyanurate OCCN1C(=O)N(CCO)C(=O)N(CCO)C1=O Tox21_201489 -NCGC00259899-01 196705681 tox21-ror-cho-viability-p1 set1 4 4.09076433 0.09540987 1.06117623 -2.00186802 1.52168829 -0.3256007 -0.14477322 2.15717896 1.21790058 7.9461534 1.82929369 1.09238025 3.49925932 -2.50199458 2.79943843 1.213E-9 2.713E-9 6.067E-9 1.357E-8 3.034E-8 6.7829999999E-8 1.517E-7 3.3919999999E-7 7.5839999999E-7 0.000001696 0.0000037919999999 0.000008479 0.00001896 0.00004239 0.000094799999999 872-50-4 13387 144209548 A A N-Methyl-2-pyrrolidone O=C1CCCN1C Tox21_202350 -NCGC00258205-01 196702370 tox21-ror-cho-viability-p1 set1 4 0.0037280017 -11.6890450559 7.5 -4.1890450559 2.4063783767 0.4951046261 0.1834425074 5.79538914 6.12467651 -3.71095554 -0.09992197 -7.42867922 -3.99046752 -4.17188246 -3.28712696 -2.92786029 -12.24087088 -5.36095451 0.53994306 -8.56271501 -0.18333042 -1.25177823 1.1469999999E-9 2.564E-9 5.733E-9 1.282E-8 2.867E-8 6.41E-8 1.433E-7 3.205E-7 7.1659999999E-7 0.000001602 0.000003583 0.000008012 0.00001792 0.00004006 0.000089579999999 101-14-4 7543 144207849 A A 4,4'-Methylenebis(2-chloroaniline) Nc2ccc(Cc1ccc(N)c(Cl)c1)cc2Cl Tox21_200651 -NCGC00257827-01 196701957 tox21-ror-cho-viability-p1 set1 -2.4 80.0210870545 -28.9744072759 -3 -31.9744072759 4.9549173134 0.7343431359 0.0245697972 -0.37008129 -0.33539465 -7.02421421 -2.71174911 -1.45226232 -5.38342745 -6.84044417 -3.78625942 -3.84802235 -8.59256044 4.03170419 -2.85023642 -0.9681459 0.16689228 -24.97867273 1.219E-9 2.726E-9 6.097E-9 1.3629999999E-8 3.048E-8 6.816E-8 1.524E-7 3.408E-7 7.621E-7 0.000001704 0.00000381 0.00000852 0.00001905 0.0000426 0.00009526 105-11-3 7737 144207471 A A p-Benzoquinone dioxime O\N=C1/C=C/C(=N\O)C=C1 Tox21_200273 -NCGC00258149-01 196701966 tox21-ror-cho-viability-p1 set1 -2.2 34.5161257776 -39.6205147215 -2 -41.6205147215 0.8999999999 0.8717463392 0.0010854755 -1.43600036 -1.52726008 -0.88117983 -0.02581108 -1.5776138 -1.20058138 -3.49161847 -3.41968984 1.20472802 -7.53355076 -12.81608937 -12.49256017 -9.95358063 -19.34195097 -36.50922344 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.397E-7 0.0000016539999999 0.0000036989999999 0.0000082699999999 0.000018489999999 0.00004135 0.00009247 114569-84-5 2734227 144207793 D 1-Dodecyl-3-methylimidazolium chloride [Cl-].C[n+]1ccn(CCCCCCCCCCCC)c1 Tox21_200595 -NCGC00258074-01 196701969 tox21-ror-cho-viability-p1 set1 4 1.46876104 2.24917574 1.81306049 4.26360632 3.70935406 0.6782775 1.9887966 0.50666575 4.98209441 1.39733223 2.63670419 3.81136612 3.35302379 5.17671904 1.19171138 1.221E-9 2.7299999999E-9 6.104E-9 1.365E-8 3.052E-8 6.824E-8 1.526E-7 3.412E-7 7.629E-7 0.0000017059999999 0.000003815 0.00000853 0.00001907 0.00004265 0.00009537 13755-29-8 4343483 144207718 Sodium tetrafluoroborate [Na+].F[B-](F)(F)F Tox21_200520 -NCGC00258644-01 196702377 tox21-ror-cho-viability-p1 set1 4 3.44567973 1.625299 0.18721268 3.34473953 5.33799839 3.25149078 -0.70765698 -0.42490819 0.05878244 -0.24565352 0.26288654 4.20589395 4.58500856 1.84988641 3.5696526 1.2049999999E-9 2.695E-9 6.027E-9 1.348E-8 3.013E-8 6.738E-8 1.507E-7 3.3689999999E-7 7.533E-7 0.0000016839999999 0.0000037669999999 0.000008422 0.000018829999999 0.000042109999999 0.00009417 78-92-2 6568 144208290 A Ac 2-Butanol CC(O)CC Tox21_201092 -NCGC00256071-01 196729164 tox21-ror-cho-viability-p1 set3 4 19.3311819617 -18.9363849999 0 -18.9363849999 4.9549173134 0.7037490786 0.0451076499 0 1.62534048 -2.3060952 6.96336439 -3.18230058 0.02320294 -3.91653373 -0.91282418 0.27142572 -3.67316812 7.78644486 -0.26372543 -8.07515341 -18.6969875 -2.65680872 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17832-28-9 87329 144211993 D 4-(Ethenyloxy)butan-1-ol C=COCCCCO Tox21_301676 -NCGC00255761-01 196729148 tox21-ror-cho-viability-p1 set3 4 0.7695882154 -20.539745088 7 -13.539745088 1.0999999999 0.6892568082 0.0524096827 0 10.03046217 7.25006516 7.86581018 7.85209225 8.82979355 9.48054441 -11.91301443 8.40632456 -11.6460475 -9.68529741 -13.36645424 -11.63470286 -13.24851112 3.3427089 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2398-96-1 5510 144211680 A A Tolnaftate Cc1cc(ccc1)N(C)C(=S)Oc2ccc3ccccc3c2 Tox21_301363 -NCGC00256136-01 196729152 tox21-ror-cho-viability-p1 set3 4 0.25363346 -1.90083194 -5.26876485 -4.8169415 -3.95092947 -1.44694433 0.15479788 -1.31040375 0.84615787 -1.57917315 -2.99161876 -4.34785061 -0.20246514 0.62795251 0.14909472 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 3775-90-4 19601 144212035 A Ac 2-(tert-Butylamino)ethyl 2-methylprop-2-enoate CC(C)(C)NCCOC(=O)C(=C)C Tox21_301718 -NCGC00255274-01 196729163 tox21-ror-cho-viability-p1 set3 4 1.87049202 4.50841581 -0.7538928 1.75412194 5.70520725 -0.31000021 7.50242173 8.09096953 8.37422878 0.44138841 -0.38796077 3.75687338 -2.24611652 -2.04048505 7.09575273 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 629-19-6 12377 144211816 F Dipropyl disulfide CCCSSCCC Tox21_301499 -NCGC00255211-01 196729167 tox21-ror-cho-viability-p1 set3 4 0.16056458 -5.55789446 -0.72599786 -6.86052808 -3.78073274 -0.69831922 -3.16580277 -5.67766983 -1.99689932 -4.77894445 0.76812216 -1.80600496 -1.10890724 0.13789843 0.52511172 5.2499999999E-10 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 6683-19-8 64819 144212287 A Irganox 1010 CC(C)(C)c1cc(cc(c1O)C(C)(C)C)CCC(=O)OCC(COC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)(COC(=O)CCc3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)COC(=O)CCc4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C Tox21_301970 -NCGC00257541-01 196729170 tox21-ror-cho-viability-p1 set3 4 -1.23156773 4.25715891 -1.03196178 -3.49601626 -2.03730799 2.92010833 -1.53531186 -0.81626684 -3.59590907 -5.7842275 -1.11579207 -1.95123065 -0.59883148 -0.7982567 -0.02663244 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-08-3 7122 144212503 A A 2'-Acetonaphthone CC(=O)c1ccc2ccccc2c1 Tox21_302186 -NCGC00255002-01 196714680 tox21-ror-cho-viability-p1 set2 -2.3 27.3060203028 -110.526516403 -1.539688925 -112.066205328 0.5 0.9027153878 0.3303873822 -0.31881486 -0.70044726 -0.3687238 -0.04529535 -10.33484151 -3.85298436 -6.87676993 -14.60291937 -26.87539229 -31.50464109 -30.07684144 -36.14911277 -34.40298846 3.28734871 -84.8986404 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 137-26-8 5455 144211419 A A Thiram CN(C)C(=S)SSC(=S)N(C)C Tox21_301102 -NCGC00254171-01 196714673 tox21-ror-cho-viability-p1 set2 4 0.2523324 0.04071465 0.48491778 -0.19089808 0.88111881 1.29920258 -0.14112377 2.70547774 1.75838985 2.19617396 1.3385885 3.4057839 -0.26123256 0.02450991 1.03965655 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139149-55-6 153939 144210537 A B SB202235 NC(=O)N(O)[C@@H]2COc1cc(ccc12)OCc3ccccc3 Tox21_300217 -NCGC00254959-01 196714675 tox21-ror-cho-viability-p1 set2 4 -2.50791037 2.94158674 1.91612445 -1.69404222 -2.07242801 2.40208687 0.05389364 4.77441568 3.48987821 2.83854825 5.66828607 1.83311726 4.5760907 3.84117739 -2.22103082 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 1008-72-6 3794540 144211374 A A Sodium 2-formylbenzenesulfonate [Na+].O=S([O-])(=O)c1ccccc1C=O Tox21_301057 -NCGC00254027-01 196714679 tox21-ror-cho-viability-p1 set2 4 0.0485577337 -9.597263804 2.5 -7.097263804 1.98874246 0.3576596914 0.328251525 2.33785252 2.66899026 4.61263471 0.75800407 -1.69032311 -1.22400816 -5.60972463 -18.2763903 -5.7923367 -6.32501151 -0.38540721 -1.399986 -20.08105317 0.78525729 1.58574763 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51-30-9 5807 144210628 A A Isoproterenol hydrochloride Cl.Oc1ccc(cc1O)C(O)CNC(C)C Tox21_300308 -NCGC00254132-01 196715078 tox21-ror-cho-viability-p1 set2 4 -2.26418059 -0.15586856 -0.25538954 0.03207213 0.59571809 -1.03949932 -0.4529217 0.10879268 -0.28862058 0.46565149 -0.47702891 -0.35235612 -0.20325579 0.31330597 -0.22004658 1.062E-9 2.374E-9 5.309E-9 1.187E-8 2.654E-8 5.935E-8 1.327E-7 2.968E-7 6.636E-7 0.000001484 0.000003318 0.000007419 0.00001659 0.0000371 0.00008295 NOCAS_47385 60196410 144210577 A A SAR377142 CC(C)N4CCC(NC(=O)c3cc1cc(OCCOC)ncc1n3CC(=O)Nc2ccc(Cl)cn2)CC4.CC(=O)O Tox21_300257 -NCGC00254275-01 196715084 tox21-ror-cho-viability-p1 set2 -2.2 6.8589621897 -38.530925102 -9.372404076 -47.903329178 4.9549173134 0.9092494452 0.0013416298 -8.38676287 -9.08372966 -8.5281785 -6.96839504 -13.63298362 -10.19680066 -6.56033673 -6.97341028 -14.70269999 -9.55768759 -10.14321255 -37.04797665 -3.50872213 -6.67884353 -2.06211489 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 446-72-0 5280961 144210902 A A Genistein Oc1ccc(cc1)C3=COc2cc(O)cc(O)c2C3=O Tox21_300585 -NCGC00259675-01 196722100 tox21-ror-cho-viability-p1 set3 4 -0.13744593 1.31882295 4.69389357 2.00505088 3.53787573 0.75998168 -16.83280336 -3.29176188 2.23045584 -2.41535933 2.58226065 9.09039977 -3.86016221 0.41161578 -0.31637722 1.196E-9 2.6749999999E-9 5.982E-9 1.338E-8 2.9909999999E-8 6.6879999999E-8 1.496E-7 3.344E-7 7.478E-7 0.0000016719999999 0.0000037389999999 0.00000836 0.00001869 0.000041799999999 0.00009347 12645-31-7 14050 144209324 A F 2-Ethylhexyl phosphate OP(O)(=O)OCC(CCCC)CC Tox21_202126 -NCGC00259762-01 196721692 tox21-ror-cho-viability-p1 set3 2.4 38.7277300935 23.4348336 -13.4348336 10 0.8999999999 0.7278909806 0.0268702092 -13.2867256 -16.78683241 -12.39962989 -7.15462692 -14.49016388 -11.50815368 -18.279028 -18.18140018 -14.80566373 -7.26057477 -8.66196261 -9.65055522 -5.78768959 -3.35391583 5.43251716 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004135 0.00009247 54-31-9 3440 144209411 A A Furosemide NS(=O)(=O)c2cc(c(NCc1ccco1)cc2Cl)C(=O)O Tox21_202213 -NCGC00259687-01 196722077 tox21-ror-cho-viability-p1 set3 4 -3.21882649 -5.85124993 -5.09181067 -2.79357287 -10.07957461 -10.34819085 -6.18313552 -4.19717647 -6.04768745 -4.27590158 -6.28799178 -6.11890026 -0.91496342 -0.66865447 -15.03991572 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004127 0.00009229 10453-86-8 5053 144209336 A A Resmethrin O=C(OCc2cc(Cc1ccccc1)oc2)C3C(/C=C(\C)C)C3(C)C Tox21_202138 -NCGC00259038-01 196722084 tox21-ror-cho-viability-p1 set3 4 38.8847873981 9.549526904 -4.049526904 5.5 2.7202212143 0.6636051265 0.0574786387 -6.07588702 -6.29127242 -4.52280307 -2.19447388 -2.6205268 -3.08890478 -3.84213327 -3.73668058 -3.48814856 -0.42343619 -2.69764236 -6.25528201 -5.36195979 2.65555629 4.29106397 1.188E-9 2.656E-9 5.9389999999E-9 1.3279999999E-8 2.969E-8 6.64E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.000003712 0.0000083 0.00001856 0.0000415 0.00009279 69-65-8 6251 144208685 A A D-Mannitol O[C@H]([C@H](O)CO)[C@H](O)[C@H](O)CO Tox21_201487 -NCGC00164155-02 196722486 tox21-ror-cho-viability-p1 set3 4 -1.68835201 0.86049872 5.04387752 4.86606435 0 -2.05978711 0.66562754 -1.01356739 6.18680215 10.02868501 5.21835455 5.86995186 -4.18788429 -2.18746893 14.18201985 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-18-8 7180 170465711 A Benzylparaben Oc1ccc(cc1)C(=O)OCc2ccccc2 Tox21_112088_1 -NCGC00247723-01 196722506 tox21-ror-cho-viability-p1 set3 3 73.5733834188 94.8890287523 -3.0124276849 91.8766010674 4.5044702849 0.7928119318 0.0091834719 -10.09133175 0 -12.26647836 -16.12570945 -11.60400893 0 -13.04686325 -12.28927056 -4.26268883 16.23568182 14.95588068 13.77300833 -1.2417096 9.44897111 77.2585271 1.377E-9 3.0799999999E-9 6.887E-9 1.54E-8 3.443E-8 7.699E-8 1.722E-7 3.8499999999E-7 8.608E-7 0.0000019249999999 0.000004304 0.000009624 0.000021519999999 0.000048119999999 0.00010759999999 74341-78-9 3057998 144206441 A A 1-(1,3-Benzodioxol-5-yl)-N-ethylpropan-2-amine hydrochloride Cl.CC(NCC)Cc1ccc2OCOc2c1 Tox21_112888 -NCGC00015453-08 196697585 tox21-ror-cho-viability-p1 set1 4 -0.5213789 -0.62958173 1.16318435 3.09291482 -1.34897039 0.54628931 3.3736366 -1.92853471 -0.1903446 3.39465179 5.25452071 -1.75628055 5.00969976 0.73382729 2.61256932 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 153439-40-8 63002 170464669 A Fexofenadine hydrochloride Cl.O=C(O)C(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4 Tox21_113125_1 -NCGC00016528-05 196697569 tox21-ror-cho-viability-p1 set1 4 5.3080386368 -15.559998008 -0.5 -16.059998008 0.6 0.8753512173 0.0009597838 0.02387183 1.38634567 -0.1444705 -1.85778225 -3.72902065 1.52362572 -3.89271671 -2.02062801 -3.59943621 -1.67131932 -7.17000345 -7.14796185 -10.67146686 -11.2196108 -12.54999834 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 637-32-1 9570076 170464800 A Proguanil hydrochloride Cl.Clc1ccc(NC(=N)NC(=N)NC(C)C)cc1 Tox21_110476_1 -NCGC00159437-03 196697580 tox21-ror-cho-viability-p1 set1 4 13.3331902297 -12.165454312 1.5 -10.665454312 0.2 0.3110171203 0.3605688621 -2.6935164 2.98544127 0.13047013 -0.09829317 -1.6981751 -4.04953131 -1.86471546 0.31770005 -5.56729088 1.96102369 -4.63637318 -7.13488954 -3.29809908 -1.29353835 -8.05454526 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1215-83-4 92876 170466051 A Clobutinol hydrochloride Cl.Clc1ccc(CC(C)(O)C(C)CN(C)C)cc1 Tox21_111667_1 -NCGC00163930-04 196697584 tox21-ror-cho-viability-p1 set1 4 0.7672905 1.75814863 0.98810068 1.2472672 0.38771929 0.29867238 -0.40992993 -0.33998155 -0.41216621 -0.0878282 -0.01575859 -0.48858009 0.09823426 0.9560758 0.40264589 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00182997-01 196697593 tox21-ror-cho-viability-p1 set1 4 -2.01994787 -4.11645987 -0.37185387 -4.70944761 -1.99794006 -3.34237298 -0.81104123 -0.20727204 -4.37017467 -0.61493441 1.75102635 2.56117899 2.42248583 -2.2660606 -4.94442376 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14417-88-0 20054967 144206837 Ac Fc Melinamide CCCCC\C=C/C\C=C/CCCCCCCC(=O)NC(C)c1ccccc1 Tox21_113286 -NCGC00159320-04 196697599 tox21-ror-cho-viability-p1 set1 4 2.30540134 3.42848759 -0.47815705 2.80096797 0.26630523 -0.10985728 1.00914594 1.02477245 0.39548224 -0.55548915 1.22030067 0.60676515 1.51366314 2.01539793 0.10043864 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67-78-7 6216 170464837 A Triamcinolone diacetate CC(=O)OCC(=O)[C@@]3(O)[C@@H](C[C@H]2[C@@H]4CCC1=CC(=O)C=C[C@]1(C)[C@@]4(F)[C@@H](O)C[C@@]23C)OC(C)=O Tox21_113119_1 -NCGC00249911-01 196722481 tox21-ror-cho-viability-p1 set3 4 -0.0722897 0.84242115 1.03516651 0.48124294 -0.92934783 4.06237318 7.91975175 -0.95943152 -2.95894099 -2.18216229 2.45983177 -8.81496525 -3.28522861 1.49492873 6.46810501 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 467-85-6 10090 170465674 A Normethadone CCC(=O)C(CCN(C)C)(c1ccccc1)c2ccccc2 Tox21_113687 -NCGC00018221-08 196698359 tox21-ror-cho-viability-p1 set1 4 -7.18815087 -2.58384116 -7.37392261 -8.6687231 -10.11505545 -4.18263548 -8.849742 -8.58933264 -6.50482316 -8.43839317 -4.20578146 -3.34384082 -9.92017748 -9.79648647 -21.33003705 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00274068-01 196698367 tox21-ror-cho-viability-p1 set1 4 2.3710137656 -14.179569508 -1 -15.179569508 4.9549173134 0.9250590501 0.0000740462 0.83991372 1.08556185 -1.29146774 -0.6818126 -0.53743405 -1.53658082 -1.71956501 -4.38384936 -1.03680246 -2.41513495 -4.55601617 -15.59495965 -18.48297459 -12.57976899 -13.51585543 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84625-61-6 55283 170464949 A Itraconazole CC(CC)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]6CO[C@@](Cn5ncnc5)(O6)c7ccc(Cl)cc7Cl Tox21_110854_1 -NCGC00166104-04 196722882 tox21-ror-cho-viability-p1 set3 4 0.26603212 -33.294283824 14 -19.294283824 0.2 0.3427766201 0.3418817006 10.61076449 10.29940304 -1.43861503 -5.57500942 9.85400365 -7.29821058 -2.31404909 10.19855653 -0.80487451 -10.64645245 -12.2590231 6.90869823 -12.74523652 -12.54685182 -3.09739081 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 940-69-2 863 170465868 Bc alpha-Lipoic acid amide NC(=O)CCCCC1CCSS1 Tox21_112317_1 -NCGC00016016-18 196722875 tox21-ror-cho-viability-p1 set3 4 1.60901524 0.18862283 -1.56671451 -1.53330077 2.41176204 -8.84534805 -2.55481848 2.60548761 -0.63745396 -1.09706836 2.6119477 4.15167976 3.02998032 1.68520413 -0.89691504 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 396-01-0 5546 170464706 A Triamterene Nc2nc(N)nc1nc(N)c(nc12)c3ccccc3 Tox21_110283_1 -NCGC00094779-05 196722878 tox21-ror-cho-viability-p1 set3 4 2.6603212004 -6.8838306199 2 -4.8838306199 4.9549173134 0.3322850208 0.3532986428 -2.27306933 8.55331349 -4.16525563 2.32495433 1.58132047 2.8557177 8.33562257 2.86696008 -1.20924253 -1.99122106 2.90724707 -7.81985885 -3.6533844 -2.77619554 13.11959232 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 90-01-7 5146 170465547 Fc Salicyl alcohol OCc1ccccc1O Tox21_111330_1 -NCGC00016590-06 196722884 tox21-ror-cho-viability-p1 set3 4 0.1496008549 9.1253188759 -3.1253188759 6 4.9549173134 0.425523012 0.2473319998 3.64357678 1.40162262 -9.68776573 5.38135753 -6.88461369 -7.7407745 -8.92137391 3.52442027 8.06554129 6.03824659 4.9068022 1.7654516 0.54738147 5.17448853 16.3061081 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1649-18-9 15443 170465697 A Azaperone Fc1ccc(cc1)C(=O)CCCN2CCN(CC2)c3ccccn3 Tox21_110512_1 -NCGC00253630-01 196723290 tox21-ror-cho-viability-p1 set3 4 11.8832183006 -20.056542152 2.5 -17.556542152 3.2974983358 0.9233161544 0.0000834108 3.34038859 0.32869221 -2.20458884 4.13440662 2.24743083 3.60283178 3.40397989 3.31190127 6.25043512 1.00817953 2.35576416 3.08142357 -3.98216136 -14.56438578 -17.54711846 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 494-19-9 10308 170466725 A A 10,11-Dihydro-5H-dibenz[b,f]azepine c1cc2Nc3ccccc3CCc2cc1 Tox21_113758 -NCGC00253597-01 196723292 tox21-ror-cho-viability-p1 set3 -2.1 13.3331902297 -88.2788262472 5.5 -82.7788262472 0.8999999999 0.9394815713 0.0000236526 4.61647313 14.46445947 10.35052625 5.31524084 -0.73313835 1.65140162 6.97283442 4.49250165 1.99217439 -0.11948674 -15.36298507 -19.40517597 -22.70596013 -42.60975209 -72.61300548 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68238-36-8 50108 170464639 A F Isosulfan blue [Na+].CC/[N+](CC)=C1\C=C/C(C=C1)=C(/c2ccc(cc2)N(CC)CC)c3cc(ccc3S([O-])(=O)=O)S([O-])(=O)=O Tox21_113733 -NCGC00253659-01 196723293 tox21-ror-cho-viability-p1 set3 4 6.6824247267 7.751434024 0.248565976 8 0.3 0.3247843748 0.3491806573 -1.87619502 3.41187644 2.14030071 -0.91311098 3.8807708 0.82904578 -0.18757422 2.70135512 3.41158654 -0.10084751 3.82929913 8.38667645 1.96588751 6.02927033 3.96407411 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84449-80-9 5743835 170466710 A A 4-(2-Piperidinoethoxy)benzoic acid hydrochloride(1:1) Cl.O=C(O)c2ccc(OCCN1CCCCC1)cc2 Tox21_113785 -NCGC00261978-01 196723300 tox21-ror-cho-viability-p1 set3 4 23.7101376556 12.456072688 0.043927312 12.5 3.1319983358 0.5524602251 0.1344899744 2.11639552 0.58140105 1.14678841 0.39875586 -0.66502382 -1.9476392 1.26998736 1.89946032 0.53446262 3.59725655 2.34568861 -8.29672724 -0.11700171 5.35124436 11.23526067 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 519-88-0 10616 170466444 A A Ambucetamide COc1ccc(cc1)C(C(N)=O)N(CCCC)CCCC Tox21_113898 -NCGC00024717-08 196723312 tox21-ror-cho-viability-p1 set3 4 -2.67977583 -3.3443503 0.3507081 -2.00487895 -5.47008124 -3.02232994 -1.2378866 0 -0.04303296 -1.17236665 -3.23457436 -0.74807461 -3.43587938 -2.17567109 2.71749742 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50903-99-6 39836 170466867 Z L-NAME N[C@@H](CCCNC(\N)=N\[N+]([O-])=O)C(=O)OC Tox21_110920_1 -NCGC00257411-01 196707744 tox21-ror-cho-viability-p1 set1 4 0.48907363 -4.9453879 -7.99821391 -0.12822287 -3.49403908 0.08641166 -1.21645896 -3.04483974 0.49624879 -4.82102085 -4.71945017 0.30658303 -0.05124187 -2.78762082 4.39580902 4.5419999999E-10 1.016E-9 2.2709999999E-9 5.078E-9 1.135E-8 2.5389999999E-8 5.677E-8 1.2699999999E-7 2.839E-7 6.348E-7 0.0000014189999999 0.0000031739999999 0.000007097 0.00001587 0.000035479999999 102676-31-3 59694 144213918 A A Fadrozole hydrochloride Cl.N#Cc1ccc(cc1)C3CCCc2cncn23 Tox21_303613 -NCGC00257394-01 196707350 tox21-ror-cho-viability-p1 set1 4 61.130564862 15.4364845559 -0.4364845559 15 2.3531167061 0.4374974492 0.2370407289 -1.57400373 -7.86373713 1.04868994 1.02718344 0.26644174 0.36910737 -0.586716 3.92181409 2.42984642 -0.19374229 -7.52022455 -0.16581431 5.12877089 1.79701715 11.25223018 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-96-6 20083 144213664 A A 2-Octanol CC(O)CCCCCC Tox21_303347 -NCGC00257366-01 196707748 tox21-ror-cho-viability-p1 set1 4 1.5555425 2.10861407 -0.50153048 0.56369222 3.00700898 3.31530799 1.57286685 2.42433271 1.36216249 -1.75097188 -13.65298811 3.80647181 7.32176569 1.55472299 10.11018515 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-08-6 66743 144213786 A F Ethyl 4-methylbenzoate O=C(OCC)c1ccc(C)cc1 Tox21_303476 -NCGC00357123-01 196703629 tox21-ror-cho-viability-p1 set1 4 0.92996806 -2.58914804 1.22979068 1.16034985 -0.93603493 -0.60114252 2.9317242 1.62279735 5.21347026 2.7960202 0.64799106 -0.7526443 1.96581115 -1.7947419 3.70423314 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 59572-10-0 101082 251919758 A 1,3,6,8-Pyrenetetrasulfonic acid, tetrasodium salt [Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c4cc(c1ccc2c(cc(c3ccc4c1c23)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O Tox21_303858 -NCGC00260637-01 196703211 tox21-ror-cho-viability-p1 set1 4 -2.14652427 -0.41958184 4.34153502 -2.33730898 1.52874159 -0.48969678 -0.92869089 1.5904842 -0.38856532 1.02163982 2.36340123 -2.24762209 -2.35233357 0.32164936 -1.77945273 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49533 144210290 M M NTP Mix113 ER1 10-EQC Tox21_203092 -NCGC00260574-01 196703611 tox21-ror-cho-viability-p1 set1 4 -0.88590648 -0.14112854 1.50442366 -3.2152938 1.0171039 -3.26900972 -7.99014059 -2.11747969 -1.96917375 -1.21931682 2.66881794 -6.05434185 1.00016756 2.62818211 0.6110838 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49470 144210227 M M NTP Mix52 CT1 3-EQP Tox21_203029 -NCGC00260529-01 196703610 tox21-ror-cho-viability-p1 set1 4 1.11218181 -3.82486939 -0.54086718 0.86699785 3.39514643 0.17990513 -0.77783459 0.4101113 -1.04371469 -0.21910909 -0.79799792 -4.11310701 0.93186777 0.07711424 -5.34014288 1.219E-9 2.725E-9 6.093E-9 1.3619999999E-8 3.046E-8 6.8119999999E-8 1.5229999999E-7 3.406E-7 7.616E-7 0.000001703 0.000003808 0.000008515 0.000019039999999 0.00004257 0.0000952 95-83-0 7263 144210182 C C 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_202984 -NCGC00260401-01 196703630 tox21-ror-cho-viability-p1 set1 4 -0.29825117 0.70691845 -1.16243861 0.24372574 -3.21831591 0.41945284 -1.65377819 -5.11613641 -4.67231464 -3.54062841 0.92136293 2.99721921 0.05305866 1.15977361 1.7079257 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.625E-8 1.481E-7 3.3129999999E-7 7.407E-7 0.000001656 0.000003704 0.000008281 0.00001852 0.000041409999999 0.000092589999999 614-39-1 66068 144210053 A Procainamide hydrochloride Cl.O=C(NCCN(CC)CC)c1ccc(N)cc1 Tox21_202855 -NCGC00356939-01 196703632 tox21-ror-cho-viability-p1 set1 -2.4 61.130564862 -32.960225344 1.5 -31.460225344 3.5722481694 0.8924287348 0.0004646299 -0.54485617 -3.24393041 -1.0341542 1.80541559 2.05332584 1.06295628 0.98851706 4.44160529 1.53829461 3.82027395 0.06418752 6.36029411 -1.6555658 -4.81056262 -25.38352112 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1879-09-0 15884 251919763 A 6-tert-Butyl-2,4-dimethylphenol CC(C)(C)c1cc(C)cc(C)c1O Tox21_303705 -NCGC00260514-01 196703634 tox21-ror-cho-viability-p1 set1 -2.2 55.2037439078 -50.3937290975 3.3697412339 -47.0239878636 1.8079476909 0.9325285314 0.0000423584 5.24937118 -0.27853393 5.64155687 1.64409776 2.92393614 4.21826081 6.98094209 -1.50425753 6.91012783 4.31613064 3.77683352 1.81343177 -6.92211231 -12.07821982 -35.62423323 1.193E-9 2.6679999999E-9 5.9659999999E-9 1.3339999999E-8 2.9829999999E-8 6.67E-8 1.491E-7 3.335E-7 7.457E-7 0.000001668 0.0000037289999999 0.0000083379999999 0.00001864 0.000041689999999 0.000093219999999 1689-82-3 5354198 144210166 A A p-Phenylazophenol Oc2ccc(/N=N/c1ccccc1)cc2 Tox21_202968 -NCGC00260077-01 196704030 tox21-ror-cho-viability-p1 set1 -2.4 34.2364547331 -23.377004072 1.5 -21.877004072 4.5044702849 0.8670624405 0.0012893729 -0.48789994 -0.89864938 -0.7300418 5.24652525 0.18297951 -1.66086057 -0.79608478 -0.17255693 5.53541797 2.72113319 5.87213581 6.17960871 0.02113561 -14.70664064 -21.56417006 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.9409999999E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.0000411 0.00009189 93-83-4 5371728 144209726 Bc A (9Z)-N,N-Bis(2-hydroxyethyl)octadec-9-enamide O=C(CCCCCCC/C=C\CCCCCCCC)N(CCO)CCO Tox21_202528 -NCGC00357104-01 196704037 tox21-ror-cho-viability-p1 set1 4 -0.11834642 -1.05024951 -2.30611744 -0.05512157 0.08077743 -5.48952097 -3.27059388 -3.82092908 -0.57612566 -13.08641725 -3.80518794 -8.63068686 5.50600998 2.48476054 -3.61261491 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-16-3 7128 251919973 F 4-Prop-1-enylveratrole COc1cc(ccc1OC)C=CC Tox21_303830 -NCGC00090885-03 196704046 tox21-ror-cho-viability-p1 set1 4 -4.47288837 -3.94866743 1.64004993 -1.15152704 -1.5778558 -1.32778175 -8.98993258 -0.51390615 -1.00784548 1.7233117 -4.29681966 -3.5105118 0.23863049 -9.30288151 2.43178658 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00258718-01 196716331 tox21-ror-cho-viability-p1 set2 4 -1.42774788 -6.95214166 -4.94667499 -2.57335592 0.21023471 -1.23256828 -1.75959986 0.27036125 -4.55822867 -2.90211896 -0.99561194 -0.33086076 -3.12027942 -7.86793898 -0.40510598 1.211E-9 2.707E-9 6.053E-9 1.353E-8 3.0259999999E-8 6.767E-8 1.5129999999E-7 3.3829999999E-7 7.566E-7 0.0000016919999999 0.0000037829999999 0.000008459 0.00001891 0.000042289999999 0.000094569999999 542-02-9 10949 144208364 A A 6-Methyl-1,3,5-triazine-2,4-diamine Nc1nc(C)nc(N)n1 Tox21_201166 -NCGC00257803-01 196715919 tox21-ror-cho-viability-p1 set2 4 -2.08227317 2.00704684 -2.59655196 0.45392312 1.27587345 -0.33889399 -1.32558339 -1.426648 0.97706089 -2.25794172 0.17714694 -0.34688494 0.48521527 0.55883271 -3.31566954 1.1759999999E-9 2.631E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.288E-7 7.3529999999E-7 0.0000016439999999 0.000003676 0.000008221 0.000018379999999 0.0000411 0.000091909999999 1522-92-5 15206 144207447 A B 3-Bromo-2,2-bis(bromomethyl)propanol BrCC(CBr)(CBr)CO Tox21_200249 -NCGC00258373-01 196715925 tox21-ror-cho-viability-p1 set2 4 0.69758781 4.53800907 6.00690821 1.97377302 1.62960055 0.65787575 0.39487341 6.47784256 2.72479636 0.74259684 1.37107092 5.48136249 1.53169301 -0.06137967 1.84614434 1.212E-9 2.71E-9 6.059E-9 1.3549999999E-8 3.03E-8 6.774E-8 1.515E-7 3.387E-7 7.5739999999E-7 0.0000016939999999 0.000003787 0.000008468 0.00001893 0.00004234 0.00009467 29911-27-1 121752 144208017 A I Butyl dipropasol solvent OC(C)COC(C)COCCC Tox21_200819 -NCGC00257809-01 196715929 tox21-ror-cho-viability-p1 set2 4 -1.98558502 -1.38601218 -0.82141645 -0.90332456 1.13903646 -0.09485333 -1.85366106 -1.58219119 -0.46783272 0.82834312 0.48006902 -1.66284923 -1.62440348 -1.12442055 -0.20411509 1.166E-9 2.608E-9 5.831E-9 1.304E-8 2.9159999999E-8 6.5199999999E-8 1.458E-7 3.26E-7 7.2889999999E-7 0.0000016299999999 0.000003645 0.00000815 0.00001822 0.00004075 0.00009112 64902-72-3 47491 144207453 A A Chlorsulfuron Cc2nc(NC(=O)NS(=O)(=O)c1ccccc1Cl)nc(OC)n2 Tox21_200255 -NCGC00258636-01 196716333 tox21-ror-cho-viability-p1 set2 4 -2.13937084 0.1578661 -1.6941306 1.71461298 -0.15912113 -1.23217419 0.6006477 -0.47027006 -0.61383998 3.49661696 1.88673995 2.57194162 0.00592003 3.36576855 3.91887213 1.16E-9 2.595E-9 5.802E-9 1.297E-8 2.901E-8 6.487E-8 1.451E-7 3.244E-7 7.253E-7 0.000001622 0.0000036269999999 0.000008109 0.000018129999999 0.000040549999999 0.000090659999999 2174-16-5 25213 144208282 A Ac Trolamine salicylate OC(=O)c1ccccc1O.OCCN(CCO)CCO Tox21_201084 -NCGC00166217-02 196716746 tox21-ror-cho-viability-p1 set2 4 -0.0758566 -0.5719857 3.46982257 6.20730494 8.35404531 6.35719553 8.42125224 8.81269475 3.9255994 3.2982063 3.38025837 1.44225315 3.12250299 1.5061942 3.68081886 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 423-55-2 9873 170465144 F 1-Bromoheptadecafluorooctane FC(F)(C(F)(F)C(Br)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_112353_1 -NCGC00092386-13 196717160 tox21-ror-cho-viability-p1 set2 4 5.1193154 -0.43918797 0.50240957 1.00952798 -0.72478173 1.01291438 5.34569616 0.97763501 0.50210098 1.39727523 1.66698942 -1.53844034 5.08001289 -0.02109255 8.84972812 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79559-97-0 63009 170465121 A Sertraline hydrochloride Cl.Clc1ccc(cc1Cl)[C@@H]3CC[C@H](NC)c2ccccc23 Tox21_111199_1 -NCGC00253725-01 196717175 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -14.7621538 -0.5 -15.2621538 4.9549173134 0.624327814 0.0809216068 -0.4022218 -0.93601569 -5.18023967 -6.63986362 2.1436826 1.2968352 0.47479845 -1.00602689 -0.14465628 1.47669903 0.77620465 1.87799922 0.72088938 -0.96697684 -12.7184615 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 784-38-3 69912 170466707 A Ac 2-Amino-5-chloro-2'-fluorobenzophenone Nc2ccc(Cl)cc2C(=O)c1ccccc1F Tox21_113844 -NCGC00016009-19 196717583 tox21-ror-cho-viability-p1 set2 4 16.7854920005 15.714210908 -4.714210908 11 0.9999999999 0.7218460835 0.0293257089 -3.08343928 -7.46665375 -8.92850909 -7.23962656 -2.99937749 -5.46670451 -2.13947779 -3.25406823 -1.80878498 -1.87667847 -1.64739422 -3.77887709 1.05836009 1.60894336 9.36732397 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1156-19-0 5503 170465136 A Tolazamide Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2 Tox21_110281_1 -NCGC00015523-13 196717594 tox21-ror-cho-viability-p1 set2 -3 33.4914596268 -59.1098116747 2.7311836885 -56.3786279862 4.9549173134 0.9742033062 2.056E-7 0.96054634 2.72259254 3.41903255 3.24087029 4.35562496 5.9213894 -0.23132854 3.04346728 3.0691508 2.94722797 1.3899088 1.64911627 -0.33991484 2.1211624 -49.45493683 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123-31-9 785 170464661 F Hydroquinone Oc1ccc(O)cc1 Tox21_110169_1 -NCGC00256930-01 196718422 tox21-ror-cho-viability-p1 set2 -2.2 48.5577336745 -48.1825041554 2.6143370445 -45.5681671109 1.8616924601 0.8792170081 0.0008140997 -1.17703536 0.12149458 -0.47527608 2.98063973 2.31359521 8.12870373 -0.39227598 3.92257083 0.82261702 2.00795956 12.88255811 -1.28374355 -7.31931129 -15.53469372 -34.830701 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-30-2 7013 144213392 A A N-Phenyl-1-naphthylamine c1ccc3ccccc3c1Nc2ccccc2 Tox21_303075 -NCGC00262964-01 196697363 tox21-ror-cho-viability-p1 set1 4 0.42403932 2.02847861 0.23670153 -0.20058764 3.42705382 -0.1220597 5.47127174 8.25489902 0.41401055 1.54255354 2.71180836 3.56072226 1.88246419 4.6365942 2.81456017 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35604-67-2 71424 170466300 A A Viloxazine hydrochloride Cl.CCOc2ccccc2OCC1CNCCO1 Tox21_113955 -NCGC00187943-02 196697367 tox21-ror-cho-viability-p1 set1 -2.2 29.8492948118 -41.9097294719 -3 -44.9097294719 3.0654483358 0.9529950466 0.0000060107 0.11829474 -2.10364502 -5.04461218 -5.87336826 -1.75844961 -6.09900821 -3.06232136 -1.7912259 -1.36183382 -1.08238648 -3.94010324 -1.06119284 -6.32368707 -12.11067063 -36.2952496 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 147228-81-7 177843 170466423 A Benzyldimethyltetradecylammonium chloride dihydrate [Cl-].O.O.C[N+](C)(Cc1ccccc1)CCCCCCCCCCCCCC Tox21_112417_1 -NCGC00166298-02 196697353 tox21-ror-cho-viability-p1 set1 4 -0.27208386 -1.10890923 1.54978531 -5.09985954 -2.74443339 -0.5600772 -2.86279919 -3.50739933 0.91950367 -3.21040477 -3.31104352 -1.05715107 0.5654479 -0.92043168 -2.29317764 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2919-66-6 250948 170465702 A Melengestrol acetate CC(=O)[C@@]3(OC(C)=O)C(=C)C[C@H]2[C@@H]4C=C(C)C1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_111887_1 -NCGC00166075-02 196697354 tox21-ror-cho-viability-p1 set1 4 -1.22527467 -0.78913874 -3.73280572 -3.75351444 -3.67846429 1.15071169 1.19084736 -0.85039238 -0.06253329 -0.17481928 -0.33859449 -0.51658989 0.92898312 -0.07887238 2.28851052 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 586-98-1 11474 170466344 Z Piconol OCc1ccccn1 Tox21_112305_1 -NCGC00249908-01 196697398 tox21-ror-cho-viability-p1 set1 4 3.00449102 6.43953406 3.9664603 4.28077281 4.41456226 0.5823106 1.10070828 7.80305386 -0.19259503 0.02344448 1.36611304 7.49039581 2.66557911 9.07497216 4.55556104 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17243-57-1 21777 170465601 Ac F Mefenorex CC(NCCCCl)Cc1ccccc1 Tox21_113684 -NCGC00015496-08 196697401 tox21-ror-cho-viability-p1 set1 4 1.09237775 0.9972451 1.2330579 1.65661902 -2.10988493 1.00048515 -0.83684644 0.17427114 -0.36023929 0.59992896 2.00770077 1.06382695 0.97395984 0.38851158 1.91380194 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60-26-4 3604 170465837 F N,N,N,N',N',N'-Hexamethylhexane-1,6-diaminium C[N+](C)(C)CCCCCC[N+](C)(C)C Tox21_112036_1 -NCGC00178369-05 196697412 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -23.7532776119 1.5 -22.2532776119 4.9549173134 0.8465761322 0.0025147338 3.51158086 3.49020909 1.10151089 4.79786207 1.91501892 0.50053862 4.29029308 1.57344775 1.10343158 0.02077884 0.2915487 -4.04961522 -0.01637328 1.00436189 -18.54439801 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23642-66-2 198015 170466546 A Benfluorex hydrochloride Cl.FC(F)(F)c2cccc(CC(C)NCCOC(=O)c1ccccc1)c2 Tox21_111343_1 -NCGC00263468-01 196697416 tox21-ror-cho-viability-p1 set1 4 -2.45168801 -3.63355317 -1.80114682 -1.94707636 -4.4452204 -2.03913233 -1.83956912 0.48716059 -3.62047051 -1.38758721 -2.98286862 -1.42681489 1.35696247 -2.24237721 0.55061422 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 34592-47-7 93176 170466577 Z L-Thioproline O=C(O)[C@@H]1CSCN1 Tox21_112310_1 -NCGC00262940-01 196697453 tox21-ror-cho-viability-p1 set1 4 -0.32361162 2.91099902 6.85956585 0.35257458 0.5012927 3.32169383 5.7155563 0.00925723 -4.16807028 1.57521952 0.21297026 -3.37854127 0.68754777 0.35106675 2.26432914 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 31127-82-9 35740 170465432 F A Iodoxamic Acid O=C(Nc1c(I)c(c(I)cc1I)C(=O)O)CCOCCOCCOCCOCCC(=O)Nc2c(I)c(C(=O)O)c(I)cc2I Tox21_113933 -NCGC00166415-03 196697456 tox21-ror-cho-viability-p1 set1 4 2.6603212004 -3.3011029599 1.5 -1.8011029599 4.9549173134 0.3286834729 0.3453969819 -2.89936098 1.4197227 7.12273302 1.38803612 0.13675812 0.48566823 0.22849909 3.39839631 0.2825327 2.37163212 2.1901438 -3.10017353 -0.11267576 -3.1675858 -1.63745902 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 135729-62-3 6918303 170465300 A Palonosetron hydrochloride Cl.O=C1N(C[C@H]3CCCc2cccc1c23)[C@@H]5CN4CCC5CC4 Tox21_112421_1 -NCGC00164789-04 196697462 tox21-ror-cho-viability-p1 set1 4 3.7578035763 -13.7428771039 -0.5 -14.2428771039 3.5117481694 0.8843877579 0.0011358637 -0.64435931 0.42333854 -1.21350724 0.38198187 -0.32075173 -3.8280302 -0.86543749 -0.20418948 0.70599387 -2.18805895 -1.18282176 -7.51219645 -17.28573092 -11.05781986 -5.60590263 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 129453-61-8 104741 170464917 A Fulvestrant FC(F)(F)C(F)(F)CCCS(=O)CCCCCCCCC[C@@H]2Cc1cc(O)ccc1[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@H]23 Tox21_110939_1 -NCGC00356993-01 196724590 tox21-ror-cho-viability-p1 set3 4 0.019331182 5.8637361039 -4.3637361039 1.5 4.5044702849 0.5570910572 0.1314784528 -6.53251279 0.25680412 -6.55311342 -3.42218532 0.7208286 0.88748409 -0.08050123 0.23789167 0.18352109 1.2921246 3.85202273 5.00342174 -1.27676937 0.16753721 3.71632343 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 243973-20-8 210326 251919724 F Pinoxaden CC(C)(C)C(=O)OC2=C(C(=O)N1CCOCCN12)c3c(CC)cc(C)cc3CC Tox21_304033 -NCGC00257938-01 196724592 tox21-ror-cho-viability-p1 set3 -2.2 48.6565118999 -71.1326844783 -0.915408226 -72.0480927043 1.713743691 0.9290785944 0.0000550385 -11.58852373 -0.99826115 -0.82511635 2.72613082 -1.90642288 3.81461809 -1.88874132 -2.60485648 -2.10998982 0.46559439 -0.25494693 2.07477023 -18.26812923 -28.16529986 -55.33946417 1.182E-9 2.6429999999E-9 5.9109999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.304E-7 7.3889999999E-7 0.0000016519999999 0.0000036939999999 0.000008261 0.000018469999999 0.000041299999999 0.000092359999999 97-18-7 2406 144207582 A A Bithionol Oc2c(Sc1cc(Cl)cc(Cl)c1O)cc(Cl)cc2Cl Tox21_200384 -NCGC00166072-02 196698385 tox21-ror-cho-viability-p1 set1 4 0.10213544 1.92385285 -2.64820385 2.23308988 -0.49425419 -0.85719308 0.85651358 5.56183758 -0.9076364 0.12553191 2.36222475 8.52910847 0.86667133 -3.85668503 2.06138452 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 608-66-2 11850 170465564 Z D-Galactitol O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)CO Tox21_111643_1 -NCGC00357041-01 196724143 tox21-ror-cho-viability-p1 set3 4 5.4482673282 15.199064664 -3.699064664 11.5 0.2 0.4501133206 0.2262200749 -6.41588722 2.35607054 1.54123789 -0.212388 4.62596987 -2.40155694 -0.90501021 2.00242763 3.59374137 4.15606237 1.14202341 6.25395986 2.90366235 3.8087006 8.39174238 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2680-03-7 17587 251919893 A N,N-Dimethylacrylamide CN(C)C(=O)C=C Tox21_303732 -NCGC00182984-01 196697984 tox21-ror-cho-viability-p1 set1 4 1.58338271 2.15431075 7.11326287 1.2264186 0.0993056 4.59904455 -0.78998554 -0.01404778 -0.41131748 2.2542476 -0.63708186 6.34634396 1.79458095 1.05433167 1.50226919 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27877-51-6 34051 144206849 A A Tolindate Cc1cc(ccc1)N(C)C(=S)Oc2ccc3CCCc3c2 Tox21_113298 -NCGC00253729-01 196697985 tox21-ror-cho-viability-p1 set1 4 0.41854476 1.97466642 4.30751431 -2.09964046 3.82389548 0.39098719 1.93429772 4.57647041 1.44996921 0.48594624 5.00083281 5.74714349 -3.71679668 -0.09502486 2.91466034 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 517-23-7 10601 170466666 F F 3-Acetyldihydro-2(3H)-furanone CC(=O)C1CCOC1=O Tox21_113848 -NCGC00344555-01 196698391 tox21-ror-cho-viability-p1 set1 -2.2 21.1316824289 -62.2858405988 -2.16543329 -64.4512738888 2.4063783767 0.9733752588 2.461E-7 -1.54153242 -2.90848093 -1.28362642 -1.46932836 0.21022735 -4.77442795 -1.72772317 -1.96253253 -3.73589651 -5.91249349 -4.99003238 0.63064056 -3.92421407 -34.67767417 -56.02369234 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 466-06-8 5284613 170465956 A Proscillaridin O=C1C=CC(=CO1)[C@H]6CC[C@@]5(O)[C@]6(C)CC[C@H]3[C@H]5CCC2=C[C@H](CC[C@@]23C)O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O Tox21_110442_1 -NCGC00023722-08 196698394 tox21-ror-cho-viability-p1 set1 4 2.71873422 7.84009143 -0.09743361 -0.01602434 3.69300832 0.64635531 0.12802097 0.12647566 -9.05479938 1.53534145 2.67490292 0.66624038 3.34952256 4.95574733 3.57159886 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-91-9 5790 170465247 A Floxuridine FC1=CN(C(=O)NC1=O)[C@H]2C[C@H](O)[C@@H](CO)O2 Tox21_110892_1 -NCGC00164530-03 196698403 tox21-ror-cho-viability-p1 set1 4 0.90866742 2.62003252 1.57962423 -1.85313941 1.51993699 0.31152353 -0.69824116 2.01188333 2.84811346 -0.6584909 0.49069726 2.62884284 2.11279209 2.2020017 -1.59886221 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58473-74-8 688145 170466115 A Cinromide Brc1cc(/C=C/C(=O)NCC)ccc1 Tox21_112161_1 -NCGC00181154-03 196698407 tox21-ror-cho-viability-p1 set1 4 0.60856643 -1.64233668 6.66365945 2.22476737 0.00855142 0.20766254 -1.82904222 1.43410145 -4.97035581 2.91257663 5.67541199 -3.57553991 3.55630895 4.75011497 0.53359334 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98-72-6 66826 170465716 A Nitarsone O=[N+]([O-])c1ccc(cc1)[As](O)(O)=O Tox21_112758_1 -NCGC00253725-01 196722485 tox21-ror-cho-viability-p1 set3 -2.4 14.9600854925 -28.380588776 0 -28.380588776 0.6 0.776747439 0.0125131745 -3.81061274 -1.58350778 -0.01648708 4.26001555 0.31405535 0.23556487 -0.93249901 3.34882235 -2.62326251 -12.25356216 -8.64390167 -6.99981577 -9.80933794 -13.0057216 -21.98382398 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 784-38-3 69912 170466707 A Ac 2-Amino-5-chloro-2'-fluorobenzophenone Nc2ccc(Cl)cc2C(=O)c1ccccc1F Tox21_113844 -NCGC00259402-01 196722087 tox21-ror-cho-viability-p1 set3 4 12.61808937 13.11354325 12.48568358 17.90548078 13.2296265 14.71537452 14.12264382 12.91701859 15.57583645 8.60894416 10.84507377 13.48793576 12.65512675 14.50569967 18.79568183 1.171E-9 2.617E-9 5.8529999999E-9 1.3089999999E-8 2.926E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.316E-7 0.0000016359999999 0.000003658 0.00000818 0.00001829 0.0000409 0.00009145 95-16-9 7222 144209051 A Benzothiazole c1cccc2scnc12 Tox21_201853 -NCGC00259420-01 196722092 tox21-ror-cho-viability-p1 set3 4 -7.21195644 -1.14322447 0.86394794 5.04159792 -8.86571863 -4.08034225 -4.67065427 -6.95614267 -3.49371357 -3.38597898 -2.53126109 -1.71625889 -5.69754652 -0.84575189 -0.95241492 1.1919999999E-9 2.6649999999E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004163 0.000093099999999 95-74-9 7255 144209069 A A 3-Chloro-4-methylaniline Nc1cc(Cl)c(C)cc1 Tox21_201871 -NCGC00259511-01 196722099 tox21-ror-cho-viability-p1 set3 4 3.39904386 7.27230487 9.54114428 -5.25751608 -2.99398924 -1.60227808 -0.47436881 1.14078358 3.61361656 6.82367258 6.92386897 4.90012723 4.14184341 11.54146051 2.52958651 1.224E-9 2.738E-9 6.1219999999E-9 1.369E-8 3.0609999999E-8 6.844E-8 1.5299999999E-7 3.422E-7 7.652E-7 0.000001711 0.000003826 0.0000085559999999 0.000019129999999 0.00004278 0.00009565 759-94-4 12968 144209160 A A EPTC CCCN(CCC)C(=O)SCC Tox21_201962 -NCGC00253618-01 196722492 tox21-ror-cho-viability-p1 set3 4 37.5780357627 -17.164046524 5 -12.164046524 4.9549173134 0.3779961154 0.2933397685 0.47502548 15.0928526 3.25754356 -0.67941776 6.72949339 1.40757486 -0.42404109 1.6347216 11.78597967 8.35915572 6.95852425 5.30939065 6.31965484 5.90348963 -8.47003877 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56177-80-1 92041 170466669 A A 2-Ethoxy-5-fluorouracil CCOC1=NC(=O)C(F)=CN1 Tox21_113748 -NCGC00249931-01 196722494 tox21-ror-cho-viability-p1 set3 4 0.0037578036 -19.01641394 13.5 -5.51641394 0.3 0.4453291326 0.2461909818 3.34738394 12.31033615 2.33748627 -0.26092981 2.12481182 5.5544764 -6.21014007 1.40609526 -2.11223364 -2.43311759 3.08989527 -7.93034495 -6.24415685 -1.94426223 15.11063874 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 74639-40-0 71137 170465850 A F Docarpamine CC(=O)N[C@@H](CCSC)C(=O)NCCc1cc(OC(=O)OCC)c(cc1)OC(=O)OCC Tox21_113707 -NCGC00259891-01 196706124 tox21-ror-cho-viability-p1 set1 4 2.7306020303 -5.7343979119 4.5 -1.2343979119 4.9549173134 0.4020673417 0.2710849489 1.9421735 5.75510693 1.07711538 6.70588082 5.94955398 -0.66844506 2.77794006 3.60782032 8.37873503 11.46737811 -5.61199826 0.12973554 -0.43318725 -0.36502847 -0.70304033 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-96-7 135 144209540 A A 4-Hydroxybenzoic acid OC(=O)c1ccc(O)cc1 Tox21_202342 -NCGC00259410-01 196706130 tox21-ror-cho-viability-p1 set1 4 -2.08687667 -7.07140677 0.14549068 6.07957509 1.51528047 -3.21518726 -0.02850206 5.86329194 7.9509627 0 3.22263458 -5.77807781 1.6755649 3.70131858 0.30318822 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 1330-61-6 14899 144209059 D Isodecyl acrylate C=CC(=O)OCCCCCCCC(C)C Tox21_201861 -NCGC00259784-01 196706531 tox21-ror-cho-viability-p1 set1 4 60.5714923824 13.2594291079 -12.65076802 0.6086610879 0.3 0.4318234987 0.2439245751 -13.83323573 -12.60221871 -14.32626762 -10.57899992 -7.90343518 -6.14361135 -15.95897335 -9.26449711 -11.74140305 -7.82198869 -10.0465531 -10.31958777 -5.32611576 -6.01263294 -5.40250455 1.171E-9 2.6189999999E-9 5.856E-9 1.3089999999E-8 2.9279999999E-8 6.547E-8 1.464E-7 3.274E-7 7.3199999999E-7 0.000001637 0.00000366 0.0000081839999999 0.0000183 0.00004092 0.0000915 126-07-8 441140 144209433 A A Griseofulvin O=C2c3c(O[C@]12C(=CC(=O)C[C@H]1C)OC)c(Cl)c(OC)cc3OC Tox21_202235 -NCGC00259315-01 196706543 tox21-ror-cho-viability-p1 set1 4 6.9777110393 -6.2375543319 5 -1.2375543319 1.372261 0.4350745823 0.2407852612 1.16380952 10.53428791 0.83383952 4.87448845 8.34971649 4.05623334 6.38291074 2.17613802 3.97180528 5.91831821 2.18839565 2.13418694 -1.06720852 0.80412613 -1.86462861 1.197E-9 2.677E-9 5.986E-9 1.339E-8 2.993E-8 6.693E-8 1.497E-7 3.346E-7 7.4829999999E-7 0.000001673 0.000003741 0.000008366 0.00001871 0.00004183 0.00009353 103-69-5 7670 144208964 FNS N-Ethylaniline CCNc1ccccc1 Tox21_201766 -NCGC00163774-04 196706544 tox21-ror-cho-viability-p1 set1 4 -7.21214793 4.51197232 -0.18492736 6.72429402 -4.08113322 1.02881151 0.10141684 3.23523352 -13.22903089 7.77746919 0.532153 1.0641806 0.83176583 -1.02623012 -0.85977966 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00259897-01 196706545 tox21-ror-cho-viability-p1 set1 -3 67.9623322576 -49.6086588663 0.3835920699 -49.2250667964 3.2974983358 0.9095838085 0.000194 3.37009989 -0.48947933 3.28790737 -0.81537649 3.87236203 0.31443873 1.55783964 0.32452013 -1.23383077 1.26107379 0.57812813 0.98708872 -9.83003738 -6.28925193 -37.29171727 1.171E-9 2.6189999999E-9 5.856E-9 1.31E-8 2.9279999999E-8 6.5479999999E-8 1.464E-7 3.274E-7 7.3209999999E-7 0.000001637 0.00000366 0.000008185 0.0000183 0.00004092 0.00009151 50-14-6 5280793 144209546 A F Ergocalciferol C=C3CC[C@H](O)C\C3=C\C=C1/CCC[C@]2(C)[C@H](CC[C@@H]12)[C@H](C)/C=C/[C@H](C)C(C)C Tox21_202348 -NCGC00263655-01 196705304 tox21-ror-cho-viability-p1 set1 4 7.74292173 2.35617367 0.3649442 2.72802356 -0.65077024 0.84074189 0.0962669 4.47461678 4.10023346 0.46332037 1.78582912 1.18333722 -0.29157669 3.969147 3.5679038 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 102518-79-6 854026 170466837 A Huperzine A CC2=C[C@H]\3CC=1NC(=O)C=CC=1[C@@](N)(C2)C/3=C\C Tox21_111603_1 -NCGC00166118-02 196704897 tox21-ror-cho-viability-p1 set1 4 0.81798067 0.05369982 -0.58756001 1.96392837 -4.61268457 2.58743828 1.32534009 -4.92930168 -0.45715028 0.66949794 2.23149962 1.88232881 1.23009048 0.56790007 1.60955926 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3731-52-0 31018 170466447 Z 3-(Aminomethyl)pyridine NCc1cccnc1 Tox21_112325_1 -NCGC00247729-01 196704898 tox21-ror-cho-viability-p1 set1 4 0.66138861 -0.06290932 -3.16003312 0.10582288 -1.38513941 -2.29580326 -0.22173776 -7.00567557 -3.74428785 3.55955305 2.43321918 -6.83867029 0.88127286 -2.06507497 -8.41962289 1.0759999999E-9 2.406E-9 5.38E-9 1.203E-8 2.69E-8 6.015E-8 1.345E-7 3.007E-7 6.724E-7 0.000001504 0.0000033619999999 0.000007518 0.000016809999999 0.00003759 0.00008406 1095-90-5 14184 144206448 A F Methadone hydrochloride Cl.CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2 Tox21_112895 -NCGC00160396-04 196704901 tox21-ror-cho-viability-p1 set1 4 -0.75759078 -3.93932243 -1.56111341 -0.06160086 -0.36875005 0.50354573 -2.28523182 -0.67452558 0.44406421 -0.01404454 0.44780623 0.00537562 -2.44635337 0.81439743 -1.16970894 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 92623-83-1 56463 170466117 A Pravadoline COc1ccc(cc1)C(=O)c3c4ccccc4n(CCN2CCOCC2)c3C Tox21_111785_1 -NCGC00164077-02 196705305 tox21-ror-cho-viability-p1 set1 4 -3.98615171 -2.60706395 4.71287231 -3.29366479 -3.734188 -4.31259581 -0.92867226 -1.17580409 -0.68634097 -3.65530678 0.63339342 0.67734269 0.32126731 -3.46231696 -2.92355965 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00090702-02 196705307 tox21-ror-cho-viability-p1 set1 4 -1.94647795 -0.2598255 0.09101747 -1.34724298 1.03937902 -3.9132645 1.22989404 -1.6435969 -0.00208339 -2.94404119 0.48780593 -0.18058389 1.15252299 2.96842801 4.46885699 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00253682-01 196705320 tox21-ror-cho-viability-p1 set1 4 2.53192941 4.79677995 1.56496434 1.97115018 3.62958742 0.76353133 1.89400151 3.8338405 0.31780301 0.69404631 -0.05940989 -0.07998957 2.36228888 -0.76794301 2.14536481 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2107-69-9 75018 170466772 Ac A 5,6-Dimethoxy-1-indanone COc1cc2C(=O)CCc2cc1OC Tox21_113806 -NCGC00254128-01 196719724 tox21-ror-cho-viability-p1 set3 4 10.27654576 -1.49334602 5.39736064 -3.27735866 -1.1235617 -2.00698564 9.76470682 7.10673163 2.2290482 13.18532391 7.68404192 2.25965078 4.92059264 5.50569854 4.08782416 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3033-77-0 18205 144210496 B N,N,N-Trimethyl(oxiran-2-yl)methanaminium chloride [Cl-].C[N+](C)(C)CC1CO1 Tox21_300176 -NCGC00254869-01 196720112 tox21-ror-cho-viability-p1 set3 4 0.1335429326 0 -14.28160019 -7.86957454 -5.83467819 -7.9535986 -5.30894194 -6.54450183 -1.05208578 -5.01888986 -1.6351384 -4.03357582 0.64824252 -32.5781723 -2.82889002 -0.32419374 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18691-97-9 29216 144211283 A A Methabenzthiazuron CNC(=O)N(C)c1nc2ccccc2s1 Tox21_300966 -NCGC00091088-05 196720126 tox21-ror-cho-viability-p1 set3 4 1.35290802 3.4064335 -1.94123995 7.53562217 -3.23667057 -2.93649274 -5.60325304 0.26514714 2.73796448 -3.24145775 -3.12570893 -1.17480803 2.30546379 -4.18599773 2.20575198 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00254689-01 196719713 tox21-ror-cho-viability-p1 set3 4 -3.05421749 -0.10854448 2.94176392 -0.24028758 0 0.62878406 6.72403752 1.91777589 -2.78710202 -0.58306477 3.74251684 -1.18528284 0.23544602 0.30787063 -2.95905888 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 66230-04-4 10342051 144211102 A A Esfenvalerate Clc1ccc(cc1)[C@H](C(C)C)C(=O)O[C@H](C#N)c3cccc(Oc2ccccc2)c3 Tox21_300785 -NCGC00255066-01 196719727 tox21-ror-cho-viability-p1 set3 4 3.74378038 11.11794444 7.86216293 14.19831008 -3.88818455 -4.45634913 2.36336667 15.85696436 -3.55279639 11.74877091 12.08743298 -6.59382001 10.13561945 3.1699188 2.69155737 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-19-4 7790 144211485 A A Dipropyl hexanedioate O=C(CCCCC(=O)OCCC)OCCC Tox21_301168 -NCGC00254596-01 196720139 tox21-ror-cho-viability-p1 set3 4 0.0153084689 16.033238244 -15.533238244 0.5 0.5 0.7265563325 0.0274642298 -9.97196913 -15.86103187 -7.68700554 -3.97952378 -8.55911086 -5.84400369 -1.69719366 -4.93434116 1.37559058 -0.89804992 1.9064618 -3.70327294 -1.81783857 0.22885857 1.99261622 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 335-67-1 9554 144211005 PFOA FC(F)(C(F)(F)C(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300688 -NCGC00253977-01 196720541 tox21-ror-cho-viability-p1 set3 4 1.37459751 -7.5891077 -9.83165725 -9.50897469 0.80746062 4.43760995 -9.07197608 -9.18233508 -6.60247237 4.66269533 -5.79968762 -7.96134114 4.48166054 -21.06817132 -21.09290978 6.017E-10 1.345E-9 3.0079999999E-9 6.727E-9 1.5039999999E-8 3.363E-8 7.521E-8 1.6819999999E-7 3.76E-7 8.408E-7 0.0000018799999999 0.000004204 0.0000094009999999 0.00002102 0.000047 87-86-5 992 144210343 A A Pentachlorophenol Clc1c(O)c(Cl)c(Cl)c(Cl)c1Cl Tox21_300023 -NCGC00254452-01 196720554 tox21-ror-cho-viability-p1 set3 4 2.4336516212 11.7903917079 -0.7903917079 11 4.9549173134 0.528324322 0.1698527308 -1.23866967 0.87024991 -4.65775138 -4.013543 13.56833014 -4.02268253 1.08465413 0.4782377 -6.49199309 -0.23334606 12.18153527 7.7770342 9.08948028 13.64529576 0.95594506 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 179465-71-5 53316393 144210781 A C CJ-013790 NC(=O)N(O)[C@@H]3C=C[C@H](Oc2cc(Oc1ccc(F)cc1)ccc2)C3 Tox21_300463 -NCGC00090910-03 196720955 tox21-ror-cho-viability-p1 set3 4 -6.7080807 -2.02075255 0.28963912 8.70808472 -5.08042244 -4.50406889 -5.15787896 -6.53951902 -6.86946384 -2.67089251 -6.36724962 -6.38814387 -4.05249467 2.35944546 0.30843025 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00259824-01 196720960 tox21-ror-cho-viability-p1 set3 4 3.06106921 4.39190997 0.22049111 -5.6783118 -2.00604188 0.74417127 -0.76604814 1.71655833 -0.99584942 1.26303481 -2.03167767 3.85933618 -0.52296079 0.43857826 0.08383088 1.196E-9 2.674E-9 5.9789999999E-9 1.337E-8 2.989E-8 6.685E-8 1.4949999999E-7 3.3419999999E-7 7.4739999999E-7 0.000001671 0.000003737 0.000008356 0.000018679999999 0.000041779999999 0.00009342 262-20-4 9217 144209473 A A Phenoxathiin c1ccc2Sc3ccccc3Oc2c1 Tox21_202275 -NCGC00259072-01 196720969 tox21-ror-cho-viability-p1 set3 4 19.1347606475 17.6425843239 -4.6425843239 13 0.8999999999 0.7607421262 0.0165265215 -7.58570421 -1.78624676 -3.66148332 0.37333653 -7.61882027 -7.12057905 -5.10245952 -2.59075975 -7.50233206 0.2728378 -0.93153845 1.31527277 0.74080542 8.65469205 9.89097116 1.1699999999E-9 2.617E-9 5.851E-9 1.3079999999E-8 2.926E-8 6.542E-8 1.463E-7 3.271E-7 7.314E-7 0.0000016359999999 0.000003657 0.000008178 0.00001829 0.000040889999999 0.00009143 554-00-7 11123 144208720 A A 2,4-Dichloroaniline Clc1cc(Cl)c(N)cc1 Tox21_201522 -NCGC00259751-01 196721359 tox21-ror-cho-viability-p1 set3 -2.2 10.8928361719 -51.340586554 -4.655517982 -55.996104536 1.0999999999 0.914499121 0.0002814065 -7.06083876 -9.47147593 -3.03592284 -0.12001602 -1.9352589 -8.85793708 -13.93843234 -6.790811 -7.98716359 -13.7700756 -10.5607648 -27.62032543 -39.96511025 -45.2350036 -22.81730918 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.61E-8 1.4779999999E-7 3.305E-7 7.3899999999E-7 0.0000016529999999 0.0000036949999999 0.000008263 0.00001848 0.00004131 0.000092379999999 105-60-2 7768 144209400 A A Caprolactam O=C1CCCCCN1 Tox21_202202 -NCGC00258891-01 196721360 tox21-ror-cho-viability-p1 set3 4 -1.00728389 -2.66445108 4.72524223 0.2751253 2.65358967 -0.50870242 -0.79652858 -0.1382471 2.38797603 -10.35994048 -1.59033616 0.65628146 0.32802418 0.93294372 6.01174669 1.152E-9 2.5769999999E-9 5.762E-9 1.289E-8 2.8809999999E-8 6.443E-8 1.441E-7 3.221E-7 7.203E-7 0.000001611 0.000003601 0.000008053 0.00001801 0.00004027 0.00009004 81335-77-5 54740 144208537 A A Imazethapyr CC1(N=C(NC1=O)c2ncc(CC)cc2C(=O)O)C(C)C Tox21_201339 -NCGC00256075-01 196728771 tox21-ror-cho-viability-p1 set3 4 0 0.95472703 -0.58013766 -1.26476377 -1.21077904 5.71191146 0.35757913 0.64624984 0.53197646 -3.14835229 -3.35674666 3.85682079 -4.56605333 0.8328398 1.67145218 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4748-78-1 20861 144212649 A B 4-Ethylbenzaldehyde CCc1ccc(C=O)cc1 Tox21_302332 -NCGC00255916-01 196728777 tox21-ror-cho-viability-p1 set3 4 1.54794903 -2.47314567 -0.44547711 1.04884613 -1.98482298 0.85718257 3.9354157 -0.24047142 -1.1402371 -1.14828898 -3.6873741 -2.0806082 3.72587159 2.06430019 -0.00801212 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2840-28-0 76092 144212441 A A 3-Amino-4-chlorobenzoic acid Nc1cc(ccc1Cl)C(=O)O Tox21_302124 -NCGC00091483-03 196728761 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -53.5748647184 0.2180067489 -53.3568579695 4.9549173134 0.8130742953 0.0059644864 -0.01532963 5.03316576 -1.35608542 6.37580881 -1.97232256 -2.53565322 9.72338139 -8.88815071 -0.60016064 -6.54291072 -6.45093025 0.93088702 7.72806185 -4.46634802 -43.09655112 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00256233-01 196728767 tox21-ror-cho-viability-p1 set3 4 0.62321447 15.18949811 9.04843094 9.8915052 0.20075832 2.83950123 -7.55788895 -0.50907 3.8814333 12.8930343 0.33157825 2.3174454 1.63707825 -3.11057046 0.43970408 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16691-43-3 2723869 144211926 F 5-Amino-1,2-dihydro-3H-1,2,4-triazole-3-thione S=C1N=C(N)NN1 Tox21_301609 -NCGC00163724-03 196728782 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -16.92325614 -0.5 -17.42325614 2.9522712143 0.5802608679 0.1123415606 0.93481988 -4.71703947 -3.72430921 -3.53077631 0.02579416 -3.61499181 4.72289678 0.37887275 2.18886906 -0.47230476 3.89176925 -1.35215147 -1.70958079 -3.39819428 -12.85271345 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00255578-01 196729176 tox21-ror-cho-viability-p1 set3 4 0.65406302 -0.36824512 -0.87583243 -0.58031679 -0.02576788 -0.25975102 2.20443323 0.82397871 3.38717698 0.58640327 1.69479103 2.60584108 2.98862686 4.09889807 1.17330136 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4437-85-8 107282 144211788 A A Butylene carbonate O=C1OCC(CC)O1 Tox21_301471 -NCGC00094521-05 196729177 tox21-ror-cho-viability-p1 set3 4 0.273060203 -5.8050294559 2 -3.8050294559 4.9549173134 0.4932766739 0.1856478153 0 2.0187563 4.07288885 -0.5261596 1.97717908 -0.95388723 6.26741162 -3.59866102 -3.4360186 -3.04597371 -1.63285174 -7.47622796 -5.59231393 2.03035875 -8.17085788 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00255644-01 196729187 tox21-ror-cho-viability-p1 set3 -1.1 30.6378586933 -103.3368193137 -3.2853550767 -106.6221743904 4.9549173134 0.874728919 0.0009673106 -1.05330387 1.29135282 -1.38061337 -8.41080982 -15.04349889 -14.36864949 -16.06454753 5.6927975 -13.54236462 -14.16251963 -10.02060887 19.0640139 20.34943808 -97.34795405 -111.06476499 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2026-24-6 62418 144212616 A A Dehydroabietylamine acetate CC(=O)O.CC(C)c2cc3CC[C@@H]1[C@](C)(CCC[C@@]1(C)CN)c3cc2 Tox21_302299 -NCGC00091351-03 196729589 tox21-ror-cho-viability-p1 set3 4 15.9977459885 12.2347373439 -1.7347373439 10.5 3.5117481694 0.8246070813 0.004575933 0.8419694 -1.43733573 -0.64042805 -0.67284027 -2.61468542 -0.78705628 -3.50603695 -6.86228112 0.42888249 -1.21685274 -2.18452127 -3.87674503 8.17066776 9.14110681 10.42438351 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00258423-01 196729603 tox21-ror-cho-viability-p1 set3 4 0.0214035113 -8.202763492 9.5 1.297236508 4.9549173134 0.6768774115 0.0496061943 9.11092391 2.88291744 14.87476864 11.14614742 1.58809544 1.08278522 2.92529368 1.67048532 2.43485524 -1.00230291 1.92863607 2.12419828 0.37089951 1.23073423 0.57754846 1.167E-9 2.61E-9 5.836E-9 1.305E-8 2.918E-8 6.525E-8 1.459E-7 3.262E-7 7.295E-7 0.000001631 0.000003648 0.000008156 0.000018239999999 0.00004078 0.00009119 6225-06-5 80365 144208067 A A N,N-Dimethylpentanamide CN(C)C(=O)CCCC Tox21_200869 -NCGC00257664-01 196729609 tox21-ror-cho-viability-p1 set3 4 1.74880815 1.90152286 1.88475757 1.56232121 -0.79446523 -0.8975292 1.38199022 0.71753677 -0.83595978 1.97148437 1.4554516 0.89612381 1.14564023 0.79936715 -1.69027973 1.1759999999E-9 2.63E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.576E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.00000822 0.000018379999999 0.0000411 0.0000919 302-17-0 2707 144207308 A Chloral hydrate ClC(Cl)(Cl)C(O)O Tox21_200110 -NCGC00258290-01 196730012 tox21-ror-cho-viability-p1 set3 4 1.90500674 0.60622615 1.91062033 0.16223608 0.73526222 -1.2076945 -0.05524685 0.74037476 0.66385479 3.10845969 -0.66251825 0.94638428 0.54989821 0.8952736 0.41792223 1.198E-9 2.679E-9 5.9899999999E-9 1.339E-8 2.995E-8 6.697E-8 1.497E-7 3.3479999999E-7 7.487E-7 0.0000016739999999 0.000003744 0.000008371 0.000018719999999 0.00004185 0.00009359 104-75-6 7719 144207934 Fns Fns 2-Ethylhexylamine CCC(CCCC)CN Tox21_200736 -NCGC00258319-01 196730027 tox21-ror-cho-viability-p1 set3 4 -2.16518358 -1.64496485 -0.78844949 -2.21408578 -1.41874356 0.02743305 0.09212276 -0.85693496 1.57094489 -1.19264856 -1.61530695 0.68276548 1.35997647 2.39941032 1.30884211 1.1989999999E-9 2.6819999999E-9 5.997E-9 1.3409999999E-8 2.999E-8 6.705E-8 1.4989999999E-7 3.352E-7 7.496E-7 0.000001676 0.000003748 0.000008381 0.000018739999999 0.00004191 0.00009371 2304-30-5 75311 144207963 A A Tetrabutylphosphonium chloride [Cl-].CCCC[P+](CCCC)(CCCC)CCCC Tox21_200765 -NCGC00164498-02 196723329 tox21-ror-cho-viability-p1 set3 4 -2.33573697 1.27174995 -1.48950686 -0.29667019 -1.43739049 0.95089115 0.55276156 9.46643057 0.89441482 3.97397432 -0.10699762 3.50788563 -4.72382887 3.11330441 9.89874748 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1027-87-8 3083671 170466170 A Tolpentamide O=C(NS(=O)(=O)c1ccc(C)cc1)NC2CCCC2 Tox21_112136_1 -NCGC00183860-01 196722924 tox21-ror-cho-viability-p1 set3 4 33.4914596268 16.432558536 0.567441464 17 1.4641 0.5295079267 0.1536580414 1.47976711 -0.2739729 -0.47166506 2.49758859 0.10949592 2.1689993 0.59684233 -1.28086488 1.00416549 4.12750466 -6.19379878 5.82038215 4.88881092 2.62255654 12.97282214 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7195-27-9 4047 144206878 A A Mefruside CC2(CN(C)S(=O)(=O)c1ccc(Cl)c(c1)S(N)(=O)=O)CCCO2 Tox21_113327 -NCGC00262947-01 196723337 tox21-ror-cho-viability-p1 set3 4 -4.67448947 -6.01584429 -3.01969849 -2.95231689 -0.18710779 -3.57893075 -2.93703447 -3.19947542 4.9195421 2.083232 -2.60449626 -2.66859889 -1.94597952 -2.85179757 -0.72405801 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 136-44-7 8692 170466456 B A Glycerol 1-(p-aminobenzoate) Nc1ccc(cc1)C(=O)OCC(O)CO Tox21_113940 -NCGC00260463-01 196723732 tox21-ror-cho-viability-p1 set3 4 0.0249565447 9.361876892 -6.861876892 2.5 1.692447691 0.5899824491 0.1046790617 -2.34721188 -12.38489741 -4.01347459 -5.13552313 0.16937324 -3.04754072 6.45866055 1.70447815 2.95186529 6.31221259 1.94614372 2.79116568 -2.27098725 1.05438731 4.55940356 1.2049999999E-9 2.695E-9 6.026E-9 1.348E-8 3.013E-8 6.738E-8 1.507E-7 3.3689999999E-7 7.533E-7 0.0000016839999999 0.000003766 0.000008422 0.000018829999999 0.000042109999999 0.000094159999999 420-12-2 9865 144210115 Fns Ethylene sulfide C1CS1 Tox21_202917 -NCGC00357205-01 196723748 tox21-ror-cho-viability-p1 set3 4 24.3365162115 -8.34712208 0 -8.34712208 4.9549173134 0.337968074 0.3493319419 -5.33295328 -1.55302544 -1.75843473 0.03710346 -0.24589818 3.22279981 5.25261531 -1.91720105 5.96702333 0.02157242 -2.35575242 -0.24548768 -1.75058084 -7.7892684 1.10470827 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-22-3 6800 251919649 Ac 2,3,4,5,6-Pentabromoethylbenzene Brc1c(CC)c(Br)c(Br)c(Br)c1Br Tox21_303981 -NCGC00091380-04 196723749 tox21-ror-cho-viability-p1 set3 4 -6.66126622 -0.46741122 0.71244231 -0.59787224 0.81158734 -4.34729777 4.01346961 -3.72319008 -4.46184007 -5.23755048 -0.04664174 -6.24840251 0.72652766 -1.8115004 3.92642962 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00260249-01 196724149 tox21-ror-cho-viability-p1 set3 4 -2.15317247 -1.93381475 5.26218181 -3.62310103 -2.75112289 -2.68057036 -3.34524995 -2.11688807 -2.60895929 -4.57822303 0.35306784 0.2992577 -5.08316261 -2.8005864 0.50583705 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.00000369 0.000008252 0.000018449999999 0.000041259999999 0.00009226 623167-81-7 2734249 144209899 A A 1-Hexylpyridinium trifluoromethanesulfonate FC(F)(F)S([O-])(=O)=O.CCCCCC[n+]1ccccc1 Tox21_202701 -NCGC00260115-01 196724154 tox21-ror-cho-viability-p1 set3 4 0.0242128237 4.1470711519 -2.6470711519 1.5 4.9549173134 0.3453748969 0.3273396422 -3.97387158 -0.17646819 -0.49802173 -6.78922596 0.94672904 3.74075863 8.06644154 0.6715281 -0.00512621 2.18276167 -2.31578317 0.00684259 1.62377595 0.61866756 0.5208536 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003673 0.0000082119999999 0.000018359999999 0.00004106 0.000091819999999 5460-09-3 23664361 144209764 Fns 4-Amino-5-hydroxy-2,7-naphthalenedisulfonic acid monosodium salt [Na+].[O-]S(=O)(=O)c2cc1cc(cc(O)c1c(N)c2)S(=O)(=O)O Tox21_202566 -NCGC00260099-01 196724169 tox21-ror-cho-viability-p1 set3 4 0.0023161359 13.389651732 -10.889651732 2.5 0.6999999999 0.624137145 0.0809635555 -7.30595624 -7.40804311 -3.13748881 1.18347968 -2.54552982 1.46851104 1.42015117 -2.01739013 3.5869364 3.19731836 1.33984463 8.99723186 0.41499642 -0.02581031 1.66033856 5.785E-10 1.2939999999E-9 2.892E-9 6.4679999999E-9 1.446E-8 3.234E-8 7.2309999999E-8 1.617E-7 3.6149999999E-7 8.084E-7 0.0000018079999999 0.000004042 0.000009039 0.00002021 0.000045189999999 67701-03-5 10465 144209748 A Fatty acids, C16-18 O=C(O)CCCCCCCCCCCCCCCC Tox21_202550 -NCGC00166070-02 196697996 tox21-ror-cho-viability-p1 set1 -2.4 29.8492948118 -24.872632768 0.5 -24.372632768 4.5044702849 0.9366651819 0.000030498 2.11373757 1.93426668 2.64752678 -0.02402886 -2.59969588 0.47621344 -0.29011995 1.07333271 -0.27287012 1.22183929 0.94238927 -2.06292461 1.75711129 -3.41063518 -21.14386064 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60812-23-9 14552708 170466627 A Decominol hydrochloride Cl.OC(COCCCCCCCCCC)CN Tox21_112303_1 -NCGC00015647-18 196697520 tox21-ror-cho-viability-p1 set1 4 0.1333319023 -15.134044112 1.5 -13.634044112 0.7999999999 0.8469689309 0.0024790976 2.67217206 0.96316747 -2.5106148 0.45958909 -0.59960463 0.82015925 -5.33469372 -10.77290373 -7.78513266 -5.93693324 -15.53908218 -11.65450403 -15.94503676 -11.62917224 -13.27145871 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 31430-18-9 4122 170466087 A Nocodazole O=C(c1cc2nc(NC(=O)OC)nc2cc1)c3cccs3 Tox21_110189_1 -NCGC00017352-24 196697488 tox21-ror-cho-viability-p1 set1 4 -5.30457705 -4.42297944 0.29624708 0.39248276 -1.8512992 -3.55906937 -1.19212083 1.55212745 -2.77350046 2.40451607 -2.10713731 1.1770659 -4.16389624 0.87079065 -3.38299315 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 501-36-0 445154 170466838 A Resveratrol Oc2cc(/C=C/c1ccc(O)cc1)cc(O)c2 Tox21_110257_1 -NCGC00259980-01 196706151 tox21-ror-cho-viability-p1 set1 4 10.34797315 2.43719392 2.01750479 3.08530636 1.79927834 1.40033161 2.4311028 1.49460978 -0.37753459 9.37388994 2.30470177 0.24225441 0.87792663 2.20270117 -0.59312826 1.202E-9 2.688E-9 6.01E-9 1.344E-8 3.005E-8 6.719E-8 1.503E-7 3.36E-7 7.5129999999E-7 0.0000016799999999 0.0000037559999999 0.0000083989999999 0.00001878 0.000042 0.000093909999999 627-03-2 12301 144209629 A A Ethoxyacetic acid O=C(O)COCC Tox21_202431 -NCGC00259575-01 196706134 tox21-ror-cho-viability-p1 set1 4 1.3342434 3.025479 5.27419008 0.07760837 4.42764855 0.10993089 -0.60240623 3.30802771 8.87055231 9.22099158 2.10573546 -0.65953731 0.40597771 1.76569463 0.75090718 1.173E-9 2.6229999999E-9 5.865E-9 1.311E-8 2.9319999999E-8 6.557E-8 1.466E-7 3.279E-7 7.3309999999E-7 0.0000016389999999 0.0000036659999999 0.000008197 0.00001833 0.00004098 0.00009164 1095-90-5 14184 144209224 A A Methadone hydrochloride Cl.CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2 Tox21_202026 -NCGC00091284-03 196706136 tox21-ror-cho-viability-p1 set1 4 0.0019331182 29.778016728 -33.778016728 -4 0.4 0.5361078364 0.1470282023 -24.81501394 -9.88480579 -20.50073371 -12.26120393 -12.28869551 -8.27371208 -10.26495543 -8.89047286 -5.93551027 -1.93794553 1.10464329 -5.59549615 -1.2019748 -14.39130914 -9.05176003 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00259801-01 196706139 tox21-ror-cho-viability-p1 set1 4 -1.68867523 -5.79376965 -0.41830998 -10.09875535 2.20438674 1.32779673 -0.24375246 0.33124389 4.74718285 -13.08053543 -5.38208377 0.18886729 0.88411923 1.37690095 9.00989903 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 527-60-6 10698 144209450 A A 2,4,6-Trimethylphenol Cc1cc(C)c(O)c(C)c1 Tox21_202252 -NCGC00259735-01 196706554 tox21-ror-cho-viability-p1 set1 4 -8.88461603 -6.28695373 -6.91199747 -9.6401688 -6.79501795 -6.45774317 -5.02763487 -8.38981392 -3.47253718 -8.09095672 -16.1493769 -7.85200296 1.19366814 -5.04348063 -8.04861971 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.305E-7 7.3889999999E-7 0.0000016519999999 0.0000036949999999 0.000008262 0.000018469999999 0.00004131 0.00009237 112-30-1 8174 144209384 A A 1-Decanol CCCCCCCCCCO Tox21_202186 -NCGC00259336-01 196706555 tox21-ror-cho-viability-p1 set1 4 5.68393969 10.56609534 1.35085402 3.91326905 2.39746608 -0.30044318 0.59462084 0.31572164 8.3009708 18.1130291 0.05653851 2.65098582 0 -0.10221542 4.87999756 1.166E-9 2.608E-9 5.831E-9 1.304E-8 2.9159999999E-8 6.5199999999E-8 1.458E-7 3.26E-7 7.2889999999E-7 0.0000016299999999 0.000003645 0.00000815 0.00001822 0.00004075 0.00009112 105-67-9 7771 144208985 A A 2,4-Dimethylphenol Cc1ccc(O)c(C)c1 Tox21_201787 -NCGC00258926-01 196706559 tox21-ror-cho-viability-p1 set1 4 1.3699347342 -32.684789664 19.5 -13.184789664 0.2 0.5172632639 0.163067691 16.38185863 18.37417718 0.3399835 10.77892757 8.13192763 6.52941983 3.81417712 5.25110774 12.79743408 6.79459693 2.50206546 -0.96430135 -10.98732472 0.73210922 -1.36710441 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.000041259999999 0.000092249999999 53-16-7 5870 144208573 A A Estrone Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)C(=O)CC[C@@H]12)c4cc3 Tox21_201375 -NCGC00256776-01 196706965 tox21-ror-cho-viability-p1 set1 4 -1.11230636 0.41785214 0.31411513 0.32888349 -0.03884823 -0.45426563 1.88416641 3.89987231 -1.0438546 0.34825598 5.18145879 7.22670027 8.11776943 0.78634874 8.84088807 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 880-09-1 70151 144212801 F Fns Dipiperidinomethane C1CCCCN1CN2CCCCC2 Tox21_302484 -NCGC00090698-04 196706976 tox21-ror-cho-viability-p1 set1 4 6.25361295 0.26609366 0.3425884 2.21205808 2.65004983 1.31790392 7.38893432 11.23295949 7.44851744 1.90051108 1.36180588 1.33915867 4.3324977 0.27743898 8.42452519 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00257385-01 196706978 tox21-ror-cho-viability-p1 set1 4 0.70192889 2.18653281 0.04793415 2.22759315 3.04766498 6.00524147 4.04459481 -0.97697921 3.90999631 4.46637477 -2.5936747 4.76652188 5.64614496 5.14211121 0.97336069 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 37764-25-3 37829 144213773 A A Dichlormid ClC(Cl)C(=O)N(CC=C)CC=C Tox21_303463 -NCGC00256993-01 196706986 tox21-ror-cho-viability-p1 set1 4 0.0019331182 -18.4786520479 7.5 -10.9786520479 3.6772481694 0.6165320555 0.0856764898 4.84255261 -6.58033659 -6.36993996 -12.53450258 -13.5165355 -10.7300086 -10.5868609 -12.628212 -16.23221004 -13.13878823 -15.18413924 -9.55475695 -9.92618825 -6.85991787 -3.9176569 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 29385-43-1 122499 144213503 A A Tolyltriazole Cc1cccc2nnnc12 Tox21_303186 -NCGC00249905-01 196704935 tox21-ror-cho-viability-p1 set1 4 0.41514208 0.43664209 0.50012882 0.60705176 1.96133727 4.06672113 -0.15629977 0.21717253 1.07230466 -0.41178609 -2.92499508 -3.46392785 0.42107325 6.17798794 5.09165858 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 131-67-9 8573 170466477 A A Phthalofyne O=C(O)c1ccccc1C(=O)OC(C)(C#C)CC Tox21_113681 -NCGC00179642-03 196704513 tox21-ror-cho-viability-p1 set1 -3 29.8492948118 -39.88424144 0 -39.88424144 2.9522712143 0.9299651917 0.0000516936 0.66105083 1.42089728 0.0958326 0.52034819 0.75593583 4.30969309 1.91613031 -0.04046306 -4.00906385 -3.32272107 0.7897752 -0.39351299 -5.20822402 -8.42192426 -31.5702012 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27523-40-6 3760 170466012 A Isoconazole nitrate Clc3ccc(C(OCc1c(Cl)cccc1Cl)Cn2ccnc2)c(Cl)c3 Tox21_110616_1 -NCGC00259837-01 196721374 tox21-ror-cho-viability-p1 set3 -2.2 27.3337914917 -43.0314601151 -1.2394454689 -44.270905584 0.8999999999 0.8421967263 0.0028337274 -1.52374455 -0.11784814 5.50203337 -5.05954505 -4.82334289 -4.74630699 -1.96688367 -0.23503237 -2.16921531 -0.78801303 -1.63633931 -21.85083881 -19.54541511 -19.6493552 -36.89242132 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.00009229 131-55-5 8571 144209486 A A 2,2',4,4'-Tetrahydroxybenzophenone O=C(c1ccc(O)cc1O)c2ccc(O)cc2O Tox21_202288 -NCGC00259428-01 196721363 tox21-ror-cho-viability-p1 set3 -2.4 43.3211400593 -28.182769756 -3 -31.182769756 0.7 0.772473526 0.0135163288 -5.72783343 -7.49561851 0.20906387 2.1596662 -6.99241464 -1.35381517 -1.36049205 -4.98235513 -4.21140075 -6.70649765 -7.17359065 -7.8099036 -16.83050438 -12.37073837 -22.65230813 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.00009229 5026-74-4 62558 144209077 A B 4-(Diglycidylamino)phenyl glycidyl ether c2cc(OCC1CO1)ccc2N(CC3CO3)CC4CO4 Tox21_201879 -NCGC00258874-01 196721364 tox21-ror-cho-viability-p1 set3 4 34.5511112954 11.5946129119 -5.5946129119 6 1.6258976909 0.3324922369 0.3370195064 -12.01379334 -2.41258831 1.46446782 2.19422652 -2.29322591 -6.97497069 -10.93099468 -10.61478015 -12.99551076 -4.61557965 -4.63161443 -3.37397106 -1.64490342 -1.1805099 6.61788711 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.312E-7 7.405E-7 0.000001656 0.000003702 0.000008279 0.00001851 0.0000414 0.00009256 60-12-8 6054 144208520 A 2-Phenylethanol OCCc1ccccc1 Tox21_201322 -NCGC00259274-01 196721365 tox21-ror-cho-viability-p1 set3 4 38.2571958381 10.5737559759 -3.5737559759 7 2.7202212143 0.3773697352 0.294525068 -7.97812998 -0.94664767 -1.14237275 7.3575422 -4.07402363 -4.61429146 -5.50553514 -4.54782383 -5.78590806 -5.31557369 -3.3205757 -6.39148588 -6.50586788 4.04967467 5.76077934 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.551E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.000003662 0.0000081889999999 0.00001831 0.00004095 0.00009156 87-68-3 6901 144208923 Hexachloro-1,3-butadiene Cl/C(Cl)=C(\Cl)C(\Cl)=C(\Cl)Cl Tox21_201725 -NCGC00259600-01 196721763 tox21-ror-cho-viability-p1 set3 4 -6.48732333 -2.7414985 -2.22210397 8.11017818 -2.94553818 -4.94160496 -5.06333347 -4.40526347 -7.3706182 -3.74570713 -3.55424242 -4.43928446 -4.22546337 -1.46574379 -5.48904509 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.0000036909999999 0.000008252 0.000018449999999 0.000041259999999 0.00009226 122-40-7 31209 144209249 A A Pentylcinnamaldehyde O=CC(CCCCC)=Cc1ccccc1 Tox21_202051 -NCGC00259411-01 196721764 tox21-ror-cho-viability-p1 set3 4 2.44978646 10.8951763 -3.13033717 2.23017643 8.38728082 -7.9073033 2.96935694 13.9939614 -4.26010032 4.98753861 -0.29737928 11.65220404 -0.63262063 8.11842781 3.8140407 1.1859999999E-9 2.651E-9 5.929E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008286 0.00001853 0.000041429999999 0.00009264 615-54-3 12002 144209060 A Ac 1,2,4-Tribromobenzene Brc1cc(Br)c(Br)cc1 Tox21_201862 -NCGC00259905-01 196721767 tox21-ror-cho-viability-p1 set3 4 -6.30261556 -1.54114379 -0.40602088 4.61476866 -5.47547052 -3.306964 -4.58492567 -3.78716252 -3.84589984 -4.95937065 -6.78053672 -1.91271235 -4.26086011 1.20929609 2.03081032 1.226E-9 2.742E-9 6.131E-9 1.371E-8 3.065E-8 6.854E-8 1.5329999999E-7 3.4269999999E-7 7.663E-7 0.0000017139999999 0.000003832 0.000008568 0.00001916 0.00004284 0.00009579 930-55-2 13591 144209554 A A N-Nitrosopyrrolidine O=NN1CCCC1 Tox21_202356 -NCGC00259340-01 196721769 tox21-ror-cho-viability-p1 set3 4 -6.25914089 -6.06576031 -5.44457825 -0.04001296 -3.85317387 -3.9978605 -6.20715389 -1.91934082 -3.8218828 -3.24866407 -5.69240474 -8.38845615 -7.30648124 -6.7699501 -3.54305012 1.1859999999E-9 2.651E-9 5.929E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008286 0.00001853 0.000041429999999 0.00009264 53-86-1 3715 144208989 A A Indomethacin Clc1ccc(cc1)C(=O)n3c2ccc(cc2c(CC(=O)O)c3C)OC Tox21_201791 -NCGC00259855-01 196721771 tox21-ror-cho-viability-p1 set3 4 24.1633761507 7.381811396 -3.381811396 4 4.9549173134 0.5736666642 0.1184778393 -4.19542104 0.43272385 -6.98484283 -3.4881161 -3.1906696 -4.85933197 -4.15523722 -4.76539277 -3.43520035 -0.68601022 -3.12103524 -0.15983104 -3.09573793 5.49795055 1.94697988 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.558E-8 1.466E-7 3.279E-7 7.3319999999E-7 0.0000016399999999 0.0000036659999999 0.000008198 0.00001833 0.00004099 0.00009165 50264-69-2 39562 144209504 A A Lonidamine O=C(O)c3nn(Cc1ccc(Cl)cc1Cl)c2ccccc23 Tox21_202306 -NCGC00259726-01 196721772 tox21-ror-cho-viability-p1 set3 4 68.5198756601 12.2568206559 -7.2568206559 5 4.9549173134 0.4564779531 0.2196386784 -3.01048083 -9.28778296 -7.35077378 -4.28301698 -8.68249791 -8.80663455 -2.32124456 -13.13068388 -8.65071697 -10.66537218 -5.27729933 -4.32527717 -9.44904573 -6.79217849 3.32690291 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.9479999999E-8 6.591E-8 1.474E-7 3.295E-7 7.369E-7 0.000001648 0.000003684 0.000008239 0.00001842 0.00004119 0.00009211 64092-48-4 16220118 144209375 A A Sodium zomepirac [Na+].Cc2cc(CC([O-])=O)n(C)c2C(=O)c1ccc(Cl)cc1 Tox21_202177 -NCGC00259864-01 196721774 tox21-ror-cho-viability-p1 set3 4 -6.31728315 -0.47916836 1.38080691 0.39989559 -2.5113592 -0.45172785 -2.59724404 -5.37732803 -4.08161212 -1.23037684 -0.16948874 -1.36573486 -0.79299877 0.72023861 2.75840489 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.00001844 0.000041219999999 0.00009218 22839-47-0 134601 144209513 F F Aspartame O=C(O)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC Tox21_202315 -NCGC00255011-01 196720572 tox21-ror-cho-viability-p1 set3 4 0.6851987566 9.5810517481 1.4189482519 11 4.9549173134 0.4032296723 0.285323556 -2.56818775 10.64570765 -5.48420979 -0.1328697 3.89218044 11.17684237 -1.365786 -3.17600373 7.83818785 16.11746709 11.75857409 12.87564165 9.66308421 3.11107419 -1.2322819 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 314-40-9 9411 144211428 A A Bromacil CCC(C)N1C(=O)C(Br)=C(C)NC1=O Tox21_301111 -NCGC00260613-01 196724205 tox21-ror-cho-viability-p1 set3 4 0.016785492 13.310202872 -6.810202872 6.5 1.221561 0.847552434 0.0024403579 -5.40946891 -9.42516906 -2.13673097 -5.88246518 0.1212492 1.98496482 4.9764383 5.64342968 3.61833759 10.68922227 9.77784605 6.8943065 3.74136336 5.28959859 6.35246952 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49509 144210266 M M NTP Mix16 AR1 8-EQC Tox21_203068 -NCGC00090858-02 196724223 tox21-ror-cho-viability-p1 set3 4 -5.84003728 2.24385883 -0.79401744 -1.70262059 7.3152695 5.4621816 3.78369442 3.93227181 3.48146909 -2.83242814 1.27329032 0.05911299 1.73178627 -3.25191004 5.20215937 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00256615-01 196719281 tox21-ror-cho-viability-p1 set2 4 0.78397915 -2.99395613 -1.78294265 -0.8218232 -1.28688059 -1.60644073 1.38063451 -1.71168395 -1.14666813 -0.38057077 -2.74077543 0.16528812 -0.71228245 -0.39507076 -0.60416671 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 551-92-8 3090 144213306 A A 1,2-Dimethyl-5-nitroimidazole O=[N+]([O-])c1cnc(C)n1C Tox21_302989 -NCGC00256693-01 196718419 tox21-ror-cho-viability-p1 set2 4 -0.78425643 -3.61399401 -2.45092358 -1.93118496 -4.9737381 -6.89202953 -6.26559973 -6.61253874 -3.68925185 -3.65596518 -5.90423398 -1.79395036 0.40135647 -1.80682762 -1.37722803 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3077-12-1 76497 144212970 A A 2,2'-[(4-Methylphenyl)imino]diethanol OCCN(CCO)c1ccc(C)cc1 Tox21_302653 -NCGC00181009-02 196698011 tox21-ror-cho-viability-p1 set1 4 0.49978753 1.335791 -3.17639933 -0.122325 2.68926876 -4.38965155 1.51638519 1.07582084 0.74788183 0.34787944 2.45095045 0.20183031 3.30615908 2.07191487 1.46219294 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35035-05-3 160243 170465823 A Timepidium bromide [Br-].COC1C\C(C[N+](C)(C)C1)=C(/c2sccc2)c3cccs3 Tox21_112659_1 -NCGC00253752-01 196698417 tox21-ror-cho-viability-p1 set1 -2.2 10.3183374548 -47.770485858 -3.066038212 -50.83652407 1.4641 0.9574008801 0.0000034839 0.53699864 -4.9183176 -3.07286714 -2.65477433 -6.14924559 0.51226929 -4.80253435 -6.01146383 0.63271237 -3.26155193 -6.51695317 -6.1110183 -14.87259341 -25.60120219 -40.02766975 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 67199-66-0 71750 170466457 A A Daniquidone Nc1ccc2N=C3c4ccccc4C(=O)N3Cc2c1 Tox21_113867 -NCGC00090965-04 196698834 tox21-ror-cho-viability-p1 set1 4 0.48130751 -1.35033719 0.91092299 -1.15841851 0.34244507 -2.25942282 0.95669126 1.66980794 0.31510373 0.83028218 0.69188807 1.2995239 -1.41458115 1.32619171 0.64091963 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00254886-01 196698837 tox21-ror-cho-viability-p1 set1 4 12.1971512362 -20.172330784 1.5 -18.672330784 0.5 0.7309968665 0.0257721172 0.36452839 5.22180074 -0.7770421 1.65368261 0.02406541 -1.00034949 0.26413763 -1.31937306 -5.62554468 -8.64151047 3.14234617 -8.39177738 -10.17589211 -11.98085012 -14.72694232 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-40-2 4937 144211301 A A Propazine Clc1nc(NC(C)C)nc(NC(C)C)n1 Tox21_300984 -NCGC00254802-01 196698838 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -42.6437825384 -15.266793772 -57.9105763104 0.9999999999 0.7911444308 0.0095283554 -11.32026166 -11.52083618 -10.63899481 -13.15833137 -18.37483765 -18.64322351 -17.63288947 -20.79894459 -15.60963453 -19.25575016 -20.73159559 -17.40956302 -26.47197553 -24.87879069 -43.87164872 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111812-58-9 9576412 144211215 A A Fenpyroximate (Z,E) Cc3nn(C)c(Oc1ccccc1)c3/C=N/OCc2ccc(cc2)C(=O)OC(C)(C)C Tox21_300898 -NCGC00163771-03 196698841 tox21-ror-cho-viability-p1 set1 4 1.47463801 -2.25902867 0.17380778 -3.42399457 -1.036896 -1.37062359 -2.09965064 -4.24470323 0.15418516 -0.63551042 0.46824173 -0.40557468 -0.69458777 -5.6651057 -0.35927229 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00253940-01 196698844 tox21-ror-cho-viability-p1 set1 4 0.35241637 -0.78038006 0.68730112 -0.76715659 -3.06463069 -3.55811034 -0.65431578 -2.6347189 -0.36660699 -3.78340283 0.82504205 -0.38449494 2.85236046 -0.73037634 0.23402293 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 64-67-5 6163 144210489 FNS Diethyl sulfate O=S(=O)(OCC)OCC Tox21_300169 -NCGC00091532-04 196699252 tox21-ror-cho-viability-p1 set1 -2.4 34.7961750105 -20.154286844 -2.5 -22.654286844 1.9673362061 0.9281578194 0.0000595468 -5.92449473 -2.67089859 -3.55575255 -3.31467244 -2.65538831 -2.34063186 1.04547458 -2.61823436 -1.35629771 -0.99118102 -2.67194983 -3.28421553 -7.80705298 -14.24221229 -20.12857237 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00090987-03 196697627 tox21-ror-cho-viability-p1 set1 4 -1.22462698 -1.35072245 -1.67207051 -2.38337787 -0.95760051 -1.02250874 0.38905324 -0.25494961 -2.38406345 -1.69452978 1.70480512 -2.98473137 -0.78751312 0.754184 -5.68471712 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00093362-05 196697587 tox21-ror-cho-viability-p1 set1 4 0.57057205 1.00244075 0.22398739 -1.12321025 -0.48412221 -2.09504143 0.96384314 -0.95279827 -2.74821539 -2.11280851 -0.69226547 -0.14325555 0.03229347 6.05794914 -0.84885824 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54856-23-4 6420033 170465694 Z Betahistine mesylate CS(=O)(=O)O.CNCCc1ccccn1 Tox21_110786_1 -NCGC00159453-05 196697608 tox21-ror-cho-viability-p1 set1 4 3.12375321 3.81784656 4.02711993 0.10421718 3.41916808 6.48835254 0.39096035 3.21079959 2.90204291 -0.04977385 0.08229744 4.74092648 3.34481818 -0.63570657 2.32563162 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 111406-87-2 60490 170465222 A Zileuton NC(=O)N(O)C(C)c1cc2ccccc2s1 Tox21_111680_1 -NCGC00164548-02 196697616 tox21-ror-cho-viability-p1 set1 4 0.0081961468 2.9380143359 -1.9380143359 1 4.4494702849 0.4356047763 0.2450504684 -1.27283106 -0.1465429 -6.19834528 -0.64003317 -0.94040542 1.3130475 1.10546519 -0.79666898 1.0551969 0.27881596 1.34346192 0.18563068 1.5296887 4.0384157 0.27886317 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 112398-08-0 71335 170466637 B Danofloxacin CN5C[C@@H]4C[C@H]5CN4c1cc2N(C=C(C(=O)O)C(=O)c2cc1F)C3CC3 Tox21_112177_1 -NCGC00258802-01 196709069 tox21-ror-cho-viability-p1 set2 4 -3.99322986 -5.77165538 2.43759964 2.2642885 -6.12660606 -0.54700645 -6.64595008 -0.37092549 -5.28308142 -3.81506285 -1.94241004 -3.03055709 -3.60237653 1.25225041 -2.98785377 1.1679999999E-9 2.6109999999E-9 5.8389999999E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.299E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.000040799999999 0.000091239999999 5332-73-0 1672 144208448 AC Fc 3-Methoxypropylamine NCCCOC Tox21_201250 -NCGC00091663-03 196708652 tox21-ror-cho-viability-p1 set2 4 -0.62102288 -2.00911838 -22.68558928 -5.54369138 0.76785224 -1.93513802 -4.97809247 0.80793758 -3.16808409 -0.79333875 -0.73572247 -2.1487667 -2.12635393 -4.69899634 -0.54614017 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00259085-01 196709060 tox21-ror-cho-viability-p1 set2 4 8.8020335521 6.100761124 -2.100761124 4 4.4494702849 0.4412611437 0.2345538616 -0.30643733 1.56618661 -2.7692952 -1.94509899 -2.55507839 -1.32573405 -1.21357479 -0.91246677 -1.39908781 -9.25063427 -1.63047143 0.42256121 6.00984906 -0.64964894 6.24099343 1.1989999999E-9 2.68E-9 5.9929999999E-9 1.34E-8 2.996E-8 6.7E-8 1.4979999999E-7 3.35E-7 7.491E-7 0.000001675 0.000003745 0.000008375 0.00001873 0.00004188 0.000093639999999 688-84-6 12713 144208733 B Fns 2-Ethylhexyl methacrylate O=C(OCC(CCCC)CC)C(=C)C Tox21_201535 -NCGC00259892-01 196709061 tox21-ror-cho-viability-p1 set2 4 1.1372649 1.58390324 2.65745795 7.38030812 0.93682804 0.27183525 1.47607475 3.82503805 0.14747557 -0.29523293 1.98723484 4.39759298 3.18816989 3.10563174 3.59394615 1.211E-9 2.707E-9 6.054E-9 1.3539999999E-8 3.027E-8 6.7689999999E-8 1.514E-7 3.3839999999E-7 7.568E-7 0.0000016919999999 0.0000037839999999 0.0000084609999999 0.00001892 0.0000423 0.00009459 298-04-4 3118 144209541 A A Disulfoton CCSCCSP(=S)(OCC)OCC Tox21_202343 -NCGC00259049-01 196709475 tox21-ror-cho-viability-p1 set2 4 -0.42267765 -4.71975858 -0.39144034 -0.7994891 -4.45566296 3.75225186 -0.00420793 1.88555537 0.26189761 0.29242783 -0.25312099 -4.55478778 1.42109346 0.87073319 0.51521696 1.163E-9 2.601E-9 5.816E-9 1.301E-8 2.908E-8 6.503E-8 1.454E-7 3.2509999999E-7 7.27E-7 0.0000016259999999 0.0000036349999999 0.000008129 0.00001818 0.00004064 0.00009088 20265-97-8 2734956 144208696 A A 4-Methoxyaniline hydrochloride Cl.Nc1ccc(OC)cc1 Tox21_201498 -NCGC00259106-01 196706180 tox21-ror-cho-viability-p1 set1 4 0.0012184748 23.686679124 -25.686679124 -2 0.3 0.4412904153 0.2499455741 -19.73889927 -6.15771347 -11.07912456 -16.06584147 -1.70853615 -5.97452941 -5.27937849 -7.03339201 -3.57508364 -6.43899841 -4.63866558 -9.07654654 -3.31398628 0.19026452 -15.66192084 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 830-13-7 13246 144208755 A A Cyclododecanone O=C1CCCCCCCCCCC1 Tox21_201557 -NCGC00258871-01 196706164 tox21-ror-cho-viability-p1 set1 4 0.4010554725 17.231900466 -22.09945906 -4.867558594 1.21 0.3855884876 0.3014203719 -14.3138925 -20.62107498 -14.0297892 -23.66049783 -47.6657651 -11.6938697 -10.21876814 -20.391665 -10.13543937 -8.29528197 -0.78930518 -9.28381691 1.00982084 -11.15651584 -11.78772753 1.219E-9 2.725E-9 6.093E-9 1.3619999999E-8 3.046E-8 6.8119999999E-8 1.5229999999E-7 3.406E-7 7.616E-7 0.000001703 0.000003808 0.000008515 0.000019039999999 0.00004257 0.0000952 94-81-5 7207 144208517 A A MCPB Clc1cc(C)c(OCCCC(=O)O)cc1 Tox21_201319 -NCGC00259013-01 196706175 tox21-ror-cho-viability-p1 set1 4 34.5161257776 -28.469921968 3 -25.469921968 1.372261 0.6674762377 0.0541245876 2.04989636 -1.74840052 4.89736892 4.82805728 9.10290838 -0.15715013 0.36857706 0.19213777 3.15833494 16.09201956 -5.70847265 -5.00502214 -2.40006123 -11.49235245 -22.89160164 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.324E-8 2.96E-8 6.618E-8 1.4799999999E-7 3.309E-7 7.399E-7 0.0000016539999999 0.0000037 0.000008272 0.0000185 0.00004136 0.000092489999999 51-28-5 1493 144208660 A A 2,4-Dinitrophenol O=[N+]([O-])c1cc(ccc1O)[N+]([O-])=O Tox21_201462 -NCGC00259345-01 196706178 tox21-ror-cho-viability-p1 set1 4 -1.47703673 -0.16194187 0.27563478 0.33560245 2.83454902 2.39678923 2.49369681 1.4814254 4.71926353 13.72491205 3.60714002 2.77527144 -0.08892068 -2.54392656 -0.05328466 1.19E-9 2.6619999999E-9 5.951E-9 1.331E-8 2.976E-8 6.654E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.00000372 0.000008317 0.0000186 0.00004159 0.000092989999999 1114-71-2 14215 144208994 A A Pebulate O=C(SCCC)N(CCCC)CC Tox21_201796 -NCGC00259843-01 196706576 tox21-ror-cho-viability-p1 set1 -2.4 73.5713578744 -40.67914956 2 -38.67914956 3.6772481694 0.9097555213 0.0001924484 3.91040668 3.67665758 1.31893732 2.32828062 1.23415454 2.71952247 1.83145603 3.2369338 0.7171092 8.22346183 3.2793035 -0.00928988 -4.04152482 -2.43706032 -28.8992913 1.251E-9 2.796E-9 6.253E-9 1.3979999999E-8 3.126E-8 6.991E-8 1.563E-7 3.4949999999E-7 7.816E-7 0.0000017479999999 0.000003908 0.000008739 0.00001954 0.00004369 0.0000977 2310-17-0 4793 144209492 A A Phosalone CCOP(=S)(OCC)SCN1c2ccc(Cl)cc2OC1=O Tox21_202294 -NCGC00259447-01 196706587 tox21-ror-cho-viability-p1 set1 4 -9.57422882 -6.57176174 -9.55791487 -9.60544488 -10.4957119 -5.23425872 -6.34686613 -6.32177788 -9.49234653 -7.67940546 8.35825052 -9.29343835 -9.14491557 -7.15548354 -6.5391923 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.000018359999999 0.000041049999999 0.000091779999999 2044-64-6 16278 144209096 A B N,N-Dimethylacetoacetamide CC(=O)CC(=O)N(C)C Tox21_201898 -NCGC00259352-01 196706597 tox21-ror-cho-viability-p1 set1 4 0.7876236585 5.369405424 -0.869405424 4.5 3.9899729863 0.4344690858 0.2405238404 -2.81702437 -3.22450452 0.15737442 1.33993178 -0.88292765 0.60555404 0.68618911 -0.22972186 -0.39985459 12.36316198 4.81984455 1.40124627 -0.27512838 4.56261901 6.29626925 1.203E-9 2.6889999999E-9 6.013E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.361E-7 7.516E-7 0.0000016809999999 0.000003758 0.000008403 0.000018789999999 0.00004202 0.00009395 107-98-2 7900 144209001 A A 1-Methoxy-2-propanol CC(O)COC Tox21_201803 -NCGC00259393-01 196706599 tox21-ror-cho-viability-p1 set1 4 3.24425199 -6.12700712 -1.45300284 0.49812295 -1.14093058 1.12281325 0.3581361 0.7094401 -11.8548597 12.18732467 0.85063426 -0.18057939 1.7937146 0.11383647 -0.89204289 1.242E-9 2.7759999999E-9 6.208E-9 1.388E-8 3.104E-8 6.94E-8 1.552E-7 3.4699999999E-7 7.76E-7 0.000001735 0.00000388 0.000008676 0.000019399999999 0.00004338 0.000097 625-55-8 12257 144209042 D Isopropyl formate CC(C)OC=O Tox21_201844 -NCGC00164449-04 196723000 tox21-ror-cho-viability-p1 set3 4 8.6349217992 -11.0080386599 -0.5 -11.5080386599 4.9549173134 0.5581974652 0.1447997789 -0.70842122 -2.03071148 -0.32837771 -0.89313505 4.74831475 -0.33586792 0.35315842 2.75664115 -10.85555963 -1.03894229 1.60043664 -6.04123675 -11.67336555 -10.41857605 -1.17252729 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00253741-01 196722990 tox21-ror-cho-viability-p1 set3 2.4 5.3080386368 23.920786776 -1.920786776 22 0.4 0.8222426059 0.0048279264 -1.65556734 -0.80299446 -2.43398898 -2.00972962 2.12076935 1.28132963 5.18368451 2.29310572 -1.99064288 6.20274644 11.64150074 7.5277269 11.56426302 10.54176871 18.45240617 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62140-67-4 6454351 170466668 A Ac Methyl 5-(ethylsulfonyl)-o-anisate O=S(=O)(CC)c1cc(c(OC)cc1)C(=O)OC Tox21_113858 -NCGC00159425-04 196722991 tox21-ror-cho-viability-p1 set3 4 -0.07654102 -8.30698425 1.85163642 -5.22846148 -5.60409336 -0.33179703 0.03937429 -7.11274147 2.45874026 2.06232453 9.48132822 7.42081758 -5.14850548 -2.79717493 -5.4397335 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112-38-9 5634 170465527 Fc 10-Undecenoic acid O=C(O)CCCCCCCCC=C Tox21_111657_1 -NCGC00016311-19 196722994 tox21-ror-cho-viability-p1 set3 4 2.86272329 -1.42164843 2.93440823 -10.45075236 1.58444071 4.29715734 0.06156359 -1.4485393 10.45815722 6.86281659 7.17918161 2.42073079 -3.93077513 7.81360418 14.50590993 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-60-2 5775 170464866 A Phentolamine mesilate Cc1ccc(cc1)N(CC2=NCCN2)c3cc(O)ccc3 Tox21_110364_1 -NCGC00091044-02 196721388 tox21-ror-cho-viability-p1 set3 4 -5.16599639 -3.38760121 -3.20151426 -2.02990383 -6.23162785 -6.87402118 -11.36626239 -7.34651984 -7.37406938 -8.62320506 -6.85936075 -3.36156086 -6.65406153 -5.69728042 -5.54279135 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00258855-01 196721378 tox21-ror-cho-viability-p1 set3 4 21.8223555187 7.5199937359 -7.5199937359 0 4.9549173134 0.3419345984 0.3287187374 -4.71146045 -8.13341654 -11.11899058 -5.69147194 -4.59721502 -11.10728996 -6.163803 -9.09898679 -11.0893419 2.4215333 -10.71737636 -12.09999478 -5.20484741 -0.71974035 0.53770567 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.6299999999E-8 1.4829999999E-7 3.315E-7 7.4129999999E-7 0.0000016579999999 0.0000037059999999 0.000008288 0.00001853 0.000041439999999 0.00009266 2016-57-1 8916 144208501 AC Fc 1-Decanamine CCCCCCCCCCN Tox21_201303 -NCGC00259680-01 196721386 tox21-ror-cho-viability-p1 set3 4 33.6782554775 -33.67522982 5.5 -28.17522982 0.4 0.606160251 0.0924305874 -2.81620932 4.50693584 9.59057178 11.91867738 7.79462206 -7.17722521 0.47543842 2.84046802 -1.54833784 0.28385934 -3.84353835 -7.28466396 -12.43883791 -3.57159386 -20.14602485 1.16E-9 2.594E-9 5.8009999999E-9 1.297E-8 2.9E-8 6.485E-8 1.45E-7 3.2429999999E-7 7.251E-7 0.000001621 0.000003625 0.0000081069999999 0.000018129999999 0.00004053 0.00009064 87-86-5 992 144209329 A A Pentachlorophenol Clc1c(O)c(Cl)c(Cl)c(Cl)c1Cl Tox21_202131 -NCGC00259831-01 196721387 tox21-ror-cho-viability-p1 set3 4 0.3939595284 13.914624088 -9.414624088 4.5 0.3 0.4234497335 0.2500920134 0.08851677 -17.01218674 -6.57830809 -6.90147272 -0.03438585 -4.4892883 -3.73868774 -0.97365254 -2.12150121 -0.69596864 -2.95699911 0.38678813 0.6962856 4.67773037 1.18799503 1.2009999999E-9 2.6849999999E-9 6.0029999999E-9 1.3419999999E-8 3.002E-8 6.712E-8 1.501E-7 3.356E-7 7.5039999999E-7 0.0000016779999999 0.0000037519999999 0.00000839 0.00001876 0.00004195 0.000093799999999 4180-23-8 637563 144209480 A B (E)-Anethole COc1ccc(/C=C/C)cc1 Tox21_202282 -NCGC00259669-01 196721390 tox21-ror-cho-viability-p1 set3 4 11.1587813883 -19.555934004 13 -6.555934004 1.826479391 0.7489418243 0.0198001237 13.8858195 16.97340156 10.16889503 19.58246301 13.53321134 13.86125715 11.1116755 11.87571415 13.25478018 5.69988574 9.11661739 12.7987134 -8.79661167 -5.49115182 -2.72798558 1.206E-9 2.6959999999E-9 6.028E-9 1.348E-8 3.014E-8 6.739E-8 1.507E-7 3.37E-7 7.535E-7 0.000001685 0.0000037669999999 0.000008424 0.00001884 0.000042119999999 0.00009418 90-15-3 7005 144209318 A A 1-Naphthol Oc2cccc1ccccc12 Tox21_202120 -NCGC00259684-01 196721395 tox21-ror-cho-viability-p1 set3 4 -8.78014785 -9.19869447 -2.21860261 1.30212881 -5.58252019 -6.12644908 -5.59807405 -6.54963723 -7.10244515 1.39109941 -7.64255294 -2.99370216 -2.63540196 -1.31718175 1.29180612 1.25E-9 2.796E-9 6.2519999999E-9 1.3979999999E-8 3.126E-8 6.99E-8 1.563E-7 3.4949999999E-7 7.815E-7 0.000001747 0.000003907 0.000008737 0.00001954 0.000043679999999 0.00009768 78-90-0 6567 144209333 B F 1,2-Diaminopropane CC(N)CN Tox21_202135 -NCGC00259985-01 196721396 tox21-ror-cho-viability-p1 set3 -2.4 60.447370484 -34.777998392 -4.785383648 -39.56338204 1.331 0.7834822916 0.011050325 -15.72093375 -5.31147853 -2.49555248 -1.07115304 -6.18360141 -4.41931953 -2.50488234 -3.49399084 -7.44085885 -5.49688149 -5.02551901 -5.48303226 -7.79505313 -17.96038756 -29.6361517 1.1689999999E-9 2.615E-9 5.8469999999E-9 1.3069999999E-8 2.9239999999E-8 6.537E-8 1.462E-7 3.269E-7 7.309E-7 0.0000016339999999 0.0000036539999999 0.0000081709999999 0.00001827 0.00004086 0.000091359999999 95-33-0 7232 144209634 A F N-Cyclohexyl-2-benzothiazolesulfenamide c1cccc2sc(nc12)SNC3CCCCC3 Tox21_202436 -NCGC00259135-01 196721780 tox21-ror-cho-viability-p1 set3 4 -10.88318879 -2.41410246 -3.92249689 -6.20373896 -6.92883387 -8.92415841 -7.17705208 -8.97433601 -10.31352133 -0.12417605 -9.82821316 -7.43725618 -6.10188609 -6.71406246 -6.37869491 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.558E-8 1.466E-7 3.279E-7 7.3319999999E-7 0.0000016389999999 0.0000036659999999 0.000008197 0.00001833 0.00004099 0.00009165 52645-53-1 40326 144208784 I I Permethrin Cl/C(Cl)=C/C3C(C(=O)OCc2cccc(Oc1ccccc1)c2)C3(C)C Tox21_201586 -NCGC00258787-01 196721326 tox21-ror-cho-viability-p1 set3 4 21.5136022056 11.089759076 -2.089759076 9 4.9549173134 0.541673487 0.1427859706 -1.64713697 -2.48933349 0.02754274 7.80579413 -2.17129514 -5.12388576 -3.76888053 -6.14725345 -5.6576888 -6.32479923 0.5179437 -2.69793154 0.73520127 10.27794283 7.11666963 1.172E-9 2.6199999999E-9 5.858E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.275E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008187 0.00001831 0.000040929999999 0.00009153 1119-40-0 14242 144208433 A A Dimethyl glutarate O=C(CCCC(=O)OC)OC Tox21_201235 -NCGC00259096-01 196721742 tox21-ror-cho-viability-p1 set3 -1.2 0.6038532545 -32.2886870275 -3.914726278 -36.2034133055 1.0999999999 0.9054674944 0.0002426431 -6.56255109 2.29225046 -8.33411944 -2.51085955 -5.26151413 -10.67579833 -8.69944149 -5.31169948 -24.40146322 -35.00009936 -32.69695985 -31.82763996 -32.43495867 -32.74246869 -41.85501232 1.1679999999E-9 2.612E-9 5.8409999999E-9 1.3059999999E-8 2.9209999999E-8 6.531E-8 1.4599999999E-7 3.265E-7 7.3019999999E-7 0.0000016329999999 0.0000036509999999 0.000008164 0.00001825 0.00004082 0.00009127 64-86-8 6167 144208745 A A Colchicine CC(=O)N[C@H]2CCc3cc(OC)c(OC)c(OC)c3C1=CC=C(OC)C(=O)C=C12 Tox21_201547 -NCGC00259683-01 196720936 tox21-ror-cho-viability-p1 set3 4 27.1949826514 10.007451336 -5.007451336 5 4.9549173134 0.494903438 0.2019829391 -7.65846592 -1.02476659 -4.71261935 -1.70468127 -2.19411306 -5.08623436 -3.88420803 -5.28546358 -9.58954278 -5.98565719 -8.55825825 -5.46731011 -3.62502827 3.91641087 -2.03827981 1.1759999999E-9 2.63E-9 5.8799999999E-9 1.315E-8 2.94E-8 6.574E-8 1.4699999999E-7 3.2869999999E-7 7.35E-7 0.000001643 0.0000036749999999 0.000008217 0.00001837 0.00004109 0.00009187 2516-40-7 612040 144209332 B Bc 2-Bromobenzothiazole Brc1nc2ccccc2s1 Tox21_202134 -NCGC00259457-01 196720948 tox21-ror-cho-viability-p1 set3 -3 76.3331411145 -43.9698875306 -4 -47.9698875306 4.9549173135 0.9085091959 0.0521236569 -9.69683324 -5.1642545 -6.56927695 -3.01574095 -4.29909184 -6.04153059 -11.4227838 -10.69486092 -6.63865967 0.26487857 -12.11841534 -12.64443379 -9.71286521 -4.91756275 -38.07133931 1.172E-9 2.6199999999E-9 5.858E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.275E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008187 0.00001831 0.000040929999999 0.00009153 609-20-1 11860 144209106 A A 2,6-Dichloro-1,4-benzenediamine Clc1cc(N)cc(Cl)c1N Tox21_201908 -NCGC00259433-01 196721747 tox21-ror-cho-viability-p1 set3 4 -10.27845835 -3.54024555 -4.87270773 3.51217848 -1.32843172 -6.1196283 -3.632742 -5.31101155 0.4559666 5.64232068 -7.97371392 -3.28268134 -1.15742103 4.8141673 -8.15355143 1.204E-9 2.692E-9 6.02E-9 1.346E-8 3.01E-8 6.7309999999E-8 1.5049999999E-7 3.365E-7 7.5249999999E-7 0.000001683 0.000003763 0.000008413 0.000018809999999 0.000042069999999 0.00009406 135-19-3 8663 144209082 A A 2-Naphthalenol Oc1ccc2ccccc2c1 Tox21_201884 -NCGC00259591-01 196722127 tox21-ror-cho-viability-p1 set3 4 -7.47461805 -6.42950949 -0.68742898 5.3951544 -7.0371367 -8.07363326 -5.5653173 -6.92610428 -5.24314212 -4.77796026 -4.13530001 -6.86848644 -5.84575419 -3.59192342 -4.32684204 1.182E-9 2.6429999999E-9 5.9109999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.304E-7 7.3889999999E-7 0.0000016519999999 0.0000036939999999 0.000008261 0.000018469999999 0.000041299999999 0.000092359999999 141-17-3 8836 144209240 A A Bis[2-(2-butoxyethoxy)ethyl] hexandioate CCCCOCCOCCOC(=O)CCCCC(=O)OCCOCCOCCCC Tox21_202042 -NCGC00258926-01 196722135 tox21-ror-cho-viability-p1 set3 4 -3.95102487 -0.76164001 2.21729619 -10.82381145 -2.17043583 -1.99987194 -4.89424386 -3.7807174 -1.53697278 -3.26992528 -3.66187557 -4.37155752 -3.5179511 -3.01118687 -0.18828655 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.000041259999999 0.000092249999999 53-16-7 5870 144208573 A A Estrone Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)C(=O)CC[C@@H]12)c4cc3 Tox21_201375 -NCGC00090874-04 196722137 tox21-ror-cho-viability-p1 set3 4 34.7961750105 -9.7953840919 -1.5 -11.2953840919 2.7202212143 0.6676064487 0.0550051346 -2.09921037 -1.71292674 3.56898713 -2.24083069 -2.37254826 -1.1001005 -3.60644268 -2.11766474 -0.23468635 -2.28711325 -1.61263597 -2.89519499 0.96178862 -9.06586485 -10.24615341 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00259476-01 196722140 tox21-ror-cho-viability-p1 set3 4 6.2064246394 15.2848405999 -13.2848405999 2 0.4 0.5297768777 0.1528071225 -17.3207005 -9.93571279 -12.23597529 -8.31498657 -10.40999701 -15.49716068 -12.23536214 -6.25733197 -10.72815812 -7.70395806 1.26833394 -9.96304279 -7.66082668 -2.87852184 1.12913825 1.195E-9 2.671E-9 5.973E-9 1.336E-8 2.986E-8 6.678E-8 1.493E-7 3.3389999999E-7 7.466E-7 0.000001669 0.000003733 0.000008347 0.00001866 0.00004174 0.00009332 99-07-0 7421 144209125 A A 3-Dimethylaminophenol CN(C)c1cccc(O)c1 Tox21_201927 -NCGC00259287-01 196722147 tox21-ror-cho-viability-p1 set3 4 35.0766004072 8.0541703159 -7.0541703159 1 1.92824246 0.383566973 0.2903610902 -11.29514193 -5.1700224 -4.18452943 0.60143487 -8.29105328 -8.66170693 -7.55254847 -8.14880572 -7.92733851 -9.0651889 -6.64357429 -6.94109243 -4.67338241 -2.53510522 0.09446244 1.1999999999E-9 2.684E-9 6.002E-9 1.3419999999E-8 3.0009999999E-8 6.711E-8 1.501E-7 3.355E-7 7.5029999999E-7 0.0000016779999999 0.0000037519999999 0.0000083889999999 0.00001876 0.000041939999999 0.00009379 25564-22-1 117549 144208936 A A 2-Pentyl-2-cyclopenten-1-one O=C1CCC=C1CCCCC Tox21_201738 -NCGC00090749-12 196722537 tox21-ror-cho-viability-p1 set3 4 5.9557173066 -12.1950403639 4 -8.1950403639 1.21 0.7472523076 0.0204923029 8.87476081 3.48908792 3.4885538 1.4588818 6.29859618 4.31235581 -1.18165596 2.30079084 5.12689424 3.56368896 2.55267133 -1.80084019 -4.78183517 -4.0023729 -8.49586697 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6898-97-1 3054 170464803 A Diethylstilbestrol Oc1ccc(cc1)C(CC)=C(CC)c2ccc(O)cc2 Tox21_111005_1 -NCGC00094906-06 196697344 tox21-ror-cho-viability-p1 set1 4 -0.35318182 -2.00939933 2.3957029 1.57257999 2.23335386 0.42578669 0.46216044 -2.09736407 -1.37504443 -1.90883388 4.33313004 -0.27752967 -1.04039567 0.17699891 4.8389764 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23327-57-3 155290 170465579 A Nefopam hydrochloride Cl.CN1Cc3ccccc3C(OCC1)c2ccccc2 Tox21_110606_1 -NCGC00015966-10 196697368 tox21-ror-cho-viability-p1 set1 4 -1.50015438 -1.13409844 1.73489168 2.18383375 0.39792394 -0.38702116 -0.77159723 5.47075793 0.83539401 2.66842567 1.57996992 5.09234846 1.84030054 1.14559476 -1.23466852 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23672-07-3 688272 170465834 I Levosulpiride CCN2CCC[C@H]2CNC(=O)c1cc(ccc1OC)S(N)(=O)=O Tox21_110933_1 -NCGC00095150-08 196697322 tox21-ror-cho-viability-p1 set1 4 1.42170795 2.77452304 -0.25542107 0.05199633 1.3615019 0.72512895 1.351458 2.4892691 2.501839 0.2801017 -0.01152045 1.292996 0.73986217 1.45836127 -1.66555945 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 144701-48-4 65999 170464873 A Telmisartan O=C(O)c1ccccc1c2ccc(cc2)Cn3c4cc(cc(C)c4nc3CCC)c6nc5ccccc5n6C Tox21_111452_1 -NCGC00023212-14 196697351 tox21-ror-cho-viability-p1 set1 4 2.04967625 4.34139905 6.59677342 -1.11618073 3.28565658 -0.16813102 6.87459794 -0.58700184 3.92615341 -0.92039667 -1.45686938 5.24199283 0.62526247 2.9141517 4.67182848 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3056-17-5 18283 170464820 A Stavudine CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@@H](CO)O2 Tox21_110886_1 -NCGC00181760-01 196697399 tox21-ror-cho-viability-p1 set1 4 -3.61231148 -1.262014 -4.38462451 -2.11023176 0.86649105 1.18421599 0.56268544 1.97418211 -2.96851207 -1.79223366 -1.45362702 -0.53105911 1.42395512 -1.0254443 -2.84215419 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 64808-48-6 47462 144206494 A A Lobenzarit sodium [Na+].[Na+].O=C([O-])c2ccc(Cl)cc2Nc1ccccc1C([O-])=O Tox21_112941 -NCGC00178826-03 196697408 tox21-ror-cho-viability-p1 set1 4 -0.44162811 1.58286065 -1.72521438 -4.42761655 0.49347004 -0.68639154 -4.36972224 -7.45546397 0.61456263 0.81822442 0.40380087 -0.01558241 1.49351305 0.32399782 1.58949255 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66-84-2 2723635 170466505 Z Glucosamine hydrochloride Cl.O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1N Tox21_111314_1 -NCGC00090858-02 196697421 tox21-ror-cho-viability-p1 set1 4 0.47605074 4.9199451 2.26058794 1.23065361 3.92411931 0.36619009 0.02126531 -2.21102045 2.10584414 0.79763622 0.31921061 0.0684717 3.0032019 0.90351292 0.23935866 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00015938-05 196697457 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -14.825781196 1 -13.825781196 4.9549173134 0.8828141321 0.0007219023 1.80802756 1.08196312 -0.10935101 0.89379379 2.46808397 2.1361604 1.71655235 -1.24005106 1.92491967 0.00535483 2.33891379 2.49040646 -0.77908072 -0.19465382 -11.52148433 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94749-08-3 56801 170465397 D Salmeterol xinafoate OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc2ccccc2.O=C(O)c2ccc1ccccc1c2O Tox21_111270_1 -NCGC00182068-04 196697473 tox21-ror-cho-viability-p1 set1 4 -3.8897942 -5.26636309 0.18915788 0.20375061 -4.06206449 -2.72634131 -5.19920763 -0.45788276 1.26631193 -0.5685213 -1.50676469 0.18963974 -2.14691984 -0.77914801 2.93470876 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 120066-54-8 60714 170466854 F Gadoteridol [Gd+3].[O-]C(=O)CN1CCN(CCN(CCN(CC(C)O)CC1)CC([O-])=O)CC([O-])=O Tox21_113025_1 -NCGC00260319-01 196724602 tox21-ror-cho-viability-p1 set3 4 0.0109004382 5.033403792 -4.033403792 1 4.9549173134 0.4744257524 0.2206335006 -5.72571993 -2.97431882 -4.03977719 -1.26255894 -6.69450316 4.06993816 3.22062761 -5.22104292 -0.25144387 0.42315589 1.34332294 0.77766388 1.53637753 3.50081731 -16.19438245 3.087E-10 6.902E-10 1.543E-9 3.4509999999E-9 7.7169999999E-9 1.726E-8 3.858E-8 8.6279999999E-8 1.929E-7 4.314E-7 9.646E-7 0.000002157 0.000004823 0.000010779999999 0.00002412 9005-00-9 75050 144209970 Ac Polyethylene glycol stearyl ether OCCOCCCCCCCCCCCCCCCCCC Tox21_202772 -NCGC00357139-01 196724607 tox21-ror-cho-viability-p1 set3 4 -0.62699392 4.59908704 6.02739093 1.09005486 6.62506183 -0.08364453 -3.23925058 0.64414088 1.48138315 0.86462603 -0.79191992 -0.98385396 -0.35564152 2.30816618 5.86937286 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 496-11-7 10326 251919906 Ac Indan c1cccc2CCCc12 Tox21_303879 -NCGC00016902-04 196723659 tox21-ror-cho-viability-p1 set3 4 0.0943917582 8.7296040239 -8.2296040239 0.5 3.9899729863 0.3116928734 0.3561699774 -12.55811099 2.87724868 -0.65556807 -12.0632434 -23.52467002 -2.65888549 -6.70622753 0 4.33924543 -2.56432085 -0.70359855 -0.66099829 -1.46372658 -2.84842716 5.55311286 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63245-28-3 170344 170466635 A Etifenin O=C(Nc1c(cccc1CC)CC)CN(CC(=O)O)CC(=O)O Tox21_110673_1 -NCGC00091657-02 196723654 tox21-ror-cho-viability-p1 set3 4 4.07166071 -2.08683986 3.92329744 -1.29566739 1.7675958 0.12352814 -1.1548766 -1.34047081 4.18202776 0.4361433 -0.90039998 -1.8759024 7.17693123 5.48805242 3.57309874 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00024589-06 196723661 tox21-ror-cho-viability-p1 set3 4 9.59559859 10.47610039 6.05312818 5.1274207 2.97646927 -1.51900416 -1.18918137 1.9602151 10.02290796 0.19473376 7.02930859 3.59775867 3.76022324 13.21418313 19.02359564 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54239-37-1 2755 170466620 Z Cimaterol N#Cc1cc(ccc1N)C(O)CNC(C)C Tox21_110908_1 -NCGC00164577-02 196723671 tox21-ror-cho-viability-p1 set3 4 1.6785492 -7.3312840119 0 -7.3312840119 1.5385888099 0.7004101977 0.0474825533 -0.89302455 -2.40163362 -0.82849225 2.23609712 -1.19828828 2.30390588 3.27617227 -0.68624307 -1.19414038 -3.23080374 -1.63220986 -6.59308122 -9.02607001 -5.44308864 8.07940209 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2011-67-8 4496 170465912 A Nimetazepam [O-][N+](=O)c1ccc2c(c1)C(=NCC(=O)N2C)c3ccccc3 Tox21_112205_1 -NCGC00016296-07 196723287 tox21-ror-cho-viability-p1 set3 -2.4 13.3331902297 -31.394518128 3.5 -27.894518128 1.24751 0.8379517465 0.0031970257 4.51297351 12.55670491 0.79772439 3.27146205 5.81221671 -1.95363009 -0.68968537 -0.50090196 6.78668398 3.35293437 0.07606494 -3.31434359 -8.51838233 -13.55989132 -24.91209844 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66-76-2 54676038 170465275 F Dicumarol OC=3c4ccccc4OC(=O)C=3CC1=C(O)c2ccccc2OC1=O Tox21_110357_1 -NCGC00173359-04 196722870 tox21-ror-cho-viability-p1 set3 4 0.8412674301 -11.6096949919 -0.5 -12.1096949919 1.5094870999 0.9267681371 0.000136319 0.66457526 -2.56552859 0.41073421 -0.24159733 -1.64093108 0.11557297 0.01804179 -0.38894245 -2.84732189 -7.78927377 -7.58156164 -9.98553194 -14.25807916 -11.03099438 -2.21049816 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 522-97-4 34458 170466799 A Canadine COc1c(OC)ccc2CC3N(Cc12)CCc4cc5OCOc5cc34 Tox21_110451_1 -NCGC00159452-03 196723267 tox21-ror-cho-viability-p1 set3 4 -1.7436781 -0.55657809 -3.63405156 0 -1.61732611 -23.1646175 -0.9290245 -5.62472637 0.73306601 -2.99567756 0.29912784 -2.72438521 -3.93106841 -0.84906838 4.13419586 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68367-52-2 337359 170466611 A Sorbinil Fc2ccc3OCC[C@]1(NC(=O)NC1=O)c3c2 Tox21_111679_1 -NCGC00091313-03 196723284 tox21-ror-cho-viability-p1 set3 2.4 33.4914596268 25.379580796 1.620419204 27 4.9549173134 0.7891761291 0.0099360776 4.34694636 0.65208768 -2.27190835 5.27833379 -2.81631733 -0.92603199 -0.70781654 2.08253638 -1.71132209 2.77082405 4.54927905 1.46463455 6.48085406 3.38994015 22.79697805 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 628-02-4 12332 170466213 A Hexanamide CCCCCC(N)=O Tox21_111111_1 -NCGC00247697-01 196723693 tox21-ror-cho-viability-p1 set3 4 0.6142329495 13.4540347039 -11.4540347039 2 4.9549173134 0.572249907 0.1175031458 -1.94712682 -5.33994055 -17.55891298 -15.04451482 -19.54502892 0 -15.05079368 -17.47750147 2.15281819 3.89388141 6.00606539 1.46785245 -0.79265472 -1.82886371 2.47741416 1.304E-9 2.915E-9 6.518E-9 1.4569999999E-8 3.259E-8 7.287E-8 1.6289999999E-7 3.644E-7 8.1469999999E-7 0.0000018219999999 0.0000040739999999 0.000009109 0.00002037 0.000045549999999 0.0001018 79278-88-9 60196324 144206400 A A N-Phenyl-N-[1-[2-(2-thienyl)ethyl]-4-piperidyl]propanamide hydrochloride (1:1) Cl.CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3cccs3 Tox21_112847 -NCGC00260118-01 196724104 tox21-ror-cho-viability-p1 set3 4 6.31114051 2.90220355 1.62089173 3.17225805 6.8966898 4.87077165 8.73279588 -0.66535902 4.10870409 1.54730899 5.00900747 5.42579047 1.24156422 5.86617973 1.10033621 1.194E-9 2.67E-9 5.9699999999E-9 1.335E-8 2.985E-8 6.675E-8 1.4919999999E-7 3.337E-7 7.4619999999E-7 0.000001669 0.0000037309999999 0.000008343 0.00001866 0.00004172 0.00009328 52556-42-0 23677323 144209767 A A Sodium 3-(allyloxy)-2-hydroxypropanesulphonate [Na+].[O-]S(=O)(=O)CC(O)COCC=C Tox21_202569 -NCGC00260295-01 196724105 tox21-ror-cho-viability-p1 set3 4 -2.61106237 1.00523315 1.93130238 13.88130037 2.94197448 8.82310446 7.3809167 -0.96671105 5.34287449 0.76052172 -1.40300881 -6.74571427 1.94962995 3.3127555 9.30871808 5.905E-11 1.32E-10 2.952E-10 6.601E-10 1.476E-9 3.301E-9 7.381E-9 1.65E-8 3.69E-8 8.2519999999E-8 1.845E-7 4.126E-7 9.226E-7 0.000002063 0.000004613 582-25-2 23661960 144209945 Fns Potassium benzoate [K+].[O-]C(=O)c1ccccc1 Tox21_202747 -NCGC00262909-01 196697955 tox21-ror-cho-viability-p1 set1 -3 29.8492948118 -55.0094331159 0.3087600879 -54.700673028 4.5044702849 0.9574697677 0.0000034499 0.07932319 -0.61525309 -1.11450518 0.89132406 1.59812973 8.82850493 -1.52453663 -1.15069673 0.33995207 -0.56165419 1.41729472 0.38986309 -3.58112079 -8.25967364 -48.08389419 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 808-26-4 54688686 170466173 I Ac Sancycline NC(=O)C1=C(O)[C@@H](N(C)C)[C@@H]2C[C@@H]3Cc4cccc(O)c4C(=O)C3=C(O)[C@]2(O)C1=O Tox21_113907 -NCGC00021148-08 196698363 tox21-ror-cho-viability-p1 set1 4 -0.32682678 0.29748706 -1.81281468 0.58702076 -2.18095177 -0.01316171 0.59096106 -0.70456833 0.12302088 0.48554781 -0.20324336 0.78639099 1.01530531 4.41888172 7.24298277 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56392-17-7 441308 170464652 A Metoprolol tartrate O=C(O)[C@H](O)[C@@H](O)C(=O)O.CC(C)NCC(O)COc1ccc(CCOC)cc1.CC(C)NCC(O)COc1ccc(cc1)CCOC Tox21_110787_1 -NCGC00166121-03 196698196 tox21-ror-cho-viability-p1 set1 -2.4 23.7101376556 -35.022969064 -1 -36.022969064 2.4063783767 0.9516129736 0.000007055 -1.41774339 -3.09629759 1.81990567 -0.54339867 -0.15205267 -4.33808055 -0.96596348 -0.27601324 -0.62128373 0.25790577 -4.21747783 -2.62374114 -1.77550085 -16.67102692 -29.60247422 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1119-97-7 14250 170466276 A Tetradonium bromide [Br-].C[N+](C)(C)CCCCCCCCCCCCCC Tox21_112327_1 -NCGC00357125-01 196723914 tox21-ror-cho-viability-p1 set3 4 68.5896218971 14.869804184 -0.869804184 14 3.2974983358 0.4969759995 0.1824174802 4.39497755 1.07343929 -5.72483682 -4.7815642 -0.40969127 -4.32667033 0.86174747 2.18743746 1.41749983 -4.36589572 0.02082666 -0.03285182 -0.91032875 1.53590688 10.03247761 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-31-9 8106 251919852 F 1-Hexanethiol CCCCCCS Tox21_303860 -NCGC00260339-01 196723932 tox21-ror-cho-viability-p1 set3 4 -3.38044171 -3.90625807 -1.72324484 -2.97115582 2.77117455 -2.18543805 4.43170419 -1.39970368 1.13092577 4.85668583 -1.62161305 -0.22312484 -3.30697552 -1.22419201 -0.70012169 5.9239999999E-10 1.3249999999E-9 2.9619999999E-9 6.623E-9 1.481E-8 3.3119999999E-8 7.405E-8 1.656E-7 3.7019999999E-7 8.2789999999E-7 0.000001851 0.0000041399999999 0.0000092559999999 0.0000207 0.00004628 54-12-6 1148 144209991 A A dl-Tryptophan O=C(O)C(N)Cc2cnc1ccccc12 Tox21_202793 -NCGC00015846-15 196697770 tox21-ror-cho-viability-p1 set1 4 0.71511941 -2.39342216 -1.4593915 0.99130784 -1.09064488 1.56614432 -2.42558232 1.19262399 0.52338075 -1.53878979 -3.39611946 -2.29266119 2.5124043 -1.81168474 -3.32603817 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-33-9 4781 170465040 A Phenylbutazone O=C3C(CCCC)C(=O)N(c1ccccc1)N3c2ccccc2 Tox21_110242_1 -NCGC00016401-09 196723132 tox21-ror-cho-viability-p1 set3 4 0.1496008549 11.137815264 -4.637815264 6.5 3.1319983358 0.5942238376 0.1011034208 -0.71543655 3.67616465 -4.31273727 -6.09300397 -15.53151272 -5.65444489 -0.74602274 0.20724869 10.16564927 4.56299374 4.97651475 4.06430361 3.56038862 11.82215759 8.19653941 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 135-09-1 3647 170465082 A Hydroflumethiazide FC(F)(F)c1cc2NCNS(=O)(=O)c2cc1S(N)(=O)=O Tox21_110422_1 -NCGC00258928-01 196722301 tox21-ror-cho-viability-p1 set3 4 27.4171332585 10.5109117639 -3.5109117639 7 4.9549173134 0.5318992229 0.1686325456 -5.46765534 -2.5088161 -7.09242647 1.05833254 -4.69201082 -5.36048401 -6.06047457 -3.34624463 -2.80245946 1.2667095 -5.00186512 -2.67834854 -1.93057417 6.03789652 0.98256392 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.481E-7 3.311E-7 7.4029999999E-7 0.000001655 0.000003701 0.0000082769999999 0.00001851 0.00004138 0.00009253 2702-72-9 23676704 144208575 Ac Ac 2,4-D sodium salt [Na+].Clc1cc(Cl)ccc1OCC([O-])=O Tox21_201377 -NCGC00016055-16 196722705 tox21-ror-cho-viability-p1 set3 3 29.8492948118 87.961348 -6.736165354 81.225182646 4.9549173134 0.7635194197 0.0156478546 5.39909583 -20.11353163 -18.45795092 0 -17.69143241 -21.85602217 -22.66408811 -6.6760953 10.7934529 8.9158395 3.307981 -2.87038645 -3.69006235 5.76478403 71.94331567 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 738-70-5 5578 170464633 B Trimethoprim Nc2nc(N)ncc2Cc1cc(OC)c(OC)c(OC)c1 Tox21_110291_1 -NCGC00164583-02 196723125 tox21-ror-cho-viability-p1 set3 4 -1.29965693 -2.03201762 0.4863434 -1.83408517 -1.79440669 0.65554399 -0.31857728 -0.47183746 -4.10720265 -4.86314734 -4.96991631 -4.2821939 -7.42088687 -6.89067634 11.35178832 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 32887-01-7 36273 170465354 A Amdinocillin OC(=O)[C@@H]2N3C(=O)[C@@H](/N=C/N1CCCCCC1)[C@H]3SC2(C)C Tox21_112209_1 -NCGC00253710-01 196723525 tox21-ror-cho-viability-p1 set3 4 -0.24957517 3.41344509 0.5530887 2.15893592 15.08457899 3.96204805 2.10462511 0.40800913 4.59407032 -1.95952508 7.4508838 5.56069877 -2.01920588 -1.83372414 5.3000068 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 39219-28-8 71717 170466315 F A Promestriene CCCOc3cc4CC[C@@H]1[C@H](CC[C@]2(C)C(CC[C@@H]12)OC)c4cc3 Tox21_113830 -NCGC00168259-02 196723524 tox21-ror-cho-viability-p1 set3 3 79.5385224245 59.0637618805 -16.240884255 42.8228776255 4.9549173134 0.7944085892 0.0089034188 -17.44162072 -14.53397626 -13.88041235 -12.27390938 -15.48631971 -14.02120979 -18.54126986 -35.10233556 -6.94029353 -13.61480811 -10.78419156 -20.39462774 -16.10315857 -14.16254123 31.17072583 1.335E-9 2.986E-9 6.6769999999E-9 1.493E-8 3.339E-8 7.465E-8 1.669E-7 3.733E-7 8.3469999999E-7 0.000001866 0.000004173 0.000009332 0.00002087 0.00004666 0.00010429999999 29705-96-2 151318 144206428 A A 4-Bromo-2,5-dimethoxyamphetamine hydrochloride Cl.COc1cc(CCN)c(cc1Br)OC Tox21_112875 -NCGC00090952-07 196723528 tox21-ror-cho-viability-p1 set3 4 27.7787679881 16.319907196 -1.319907196 15 4.9549173134 0.7451901804 0.0272419916 1.23537046 -5.26658933 -1.92998006 -2.12864619 -1.28199517 0.69296524 0.39829964 -0.59344864 -4.61027171 3.47655719 0.73502996 -3.63112139 -0.1917577 14.72160599 7.40255133 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00159504-04 196723536 tox21-ror-cho-viability-p1 set3 4 17.84887414 -0.06937376 -1.47857317 -0.34028558 3.99913994 -0.03649731 -0.31338372 -3.37232211 10.74874461 1.17155677 7.01312616 6.26561354 4.80048902 5.69515467 14.1177551 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 552-22-7 11088 170465466 D Thymol iodide IOc1cc(C)c(cc1C(C)C)c2cc(C(C)C)c(OI)cc2C Tox21_111723_1 -NCGC00179630-03 196723540 tox21-ror-cho-viability-p1 set3 4 23.7101376556 9.251952088 -0.751952088 8.5 2.2481167061 0.3164718107 0.3542383971 -0.80760793 0.94317346 0.95910571 -0.76348317 0.8119633 0.82848591 0.98956017 -0.67260012 3.24355141 0.31476622 -8.12662674 -6.50186256 3.19509476 2.36358608 7.07370484 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-56-9 6419941 170465642 A Homatropine hydrobromide Br.CN3[C@@H]1CC[C@H]3C[C@H](C1)OC(=O)C(O)c2ccccc2 Tox21_110318_1 -NCGC00259077-01 196706775 tox21-ror-cho-viability-p1 set1 4 6.54764448 -1.55271963 -6.96341093 0.447911 -2.27706634 -0.56349417 -1.50448509 4.98967947 6.2311113 0 3.48184711 -2.59484078 3.36198167 -1.25318155 4.67139702 1.195E-9 2.6729999999E-9 5.976E-9 1.336E-8 2.988E-8 6.682E-8 1.494E-7 3.341E-7 7.47E-7 0.0000016699999999 0.000003735 0.000008352 0.000018679999999 0.000041759999999 0.000093379999999 73-31-4 896 144208725 A A Melatonin CC(=O)NCCc2cnc1ccc(cc12)OC Tox21_201527 -NCGC00259265-01 196706356 tox21-ror-cho-viability-p1 set1 4 0.35395585 2.04461059 2.59039887 -2.9981949 -0.89652843 -3.11052838 -3.53866974 0.69780307 -8.44072028 13.67073815 1.69217512 -0.1316987 0.03753218 -0.51013189 1.04574158 1.1609999999E-9 2.5969999999E-9 5.8069999999E-9 1.299E-8 2.9039999999E-8 6.493E-8 1.4519999999E-7 3.246E-7 7.259E-7 0.000001623 0.000003629 0.000008116 0.000018149999999 0.000040579999999 0.000090739999999 98-92-0 936 144208914 A A Niacinamide NC(=O)c1cccnc1 Tox21_201716 -NCGC00259063-01 196706360 tox21-ror-cho-viability-p1 set1 4 0.20545049 -0.33909185 -6.81742499 -0.25881559 -1.99028207 -1.12436463 0.16718337 -1.09411375 6.78915845 0 -7.08489869 -5.66404651 1.09317717 0.7564853 1.00289537 1.196E-9 2.6749999999E-9 5.981E-9 1.337E-8 2.9899999999E-8 6.6869999999E-8 1.4949999999E-7 3.3429999999E-7 7.476E-7 0.0000016719999999 0.0000037379999999 0.000008358 0.00001869 0.00004179 0.00009345 461-58-5 10005 144208711 Cyanoguanidine N=C(N)NC#N Tox21_201513 -NCGC00091839-03 196706766 tox21-ror-cho-viability-p1 set1 4 61.130564862 -24.83173782 -3 -27.83173782 1.9673362061 0.575197744 0.1155182469 0.42897882 -6.23000505 -9.83281417 -8.44177271 3.59739454 -7.47590408 -6.37434525 0.4606955 -2.0596481 0 3.28871023 -2.08988327 -5.48002596 -10.21002567 -20.69311485 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00258870-01 196706776 tox21-ror-cho-viability-p1 set1 4 -4.71724587 1.28443308 -2.20009646 6.09783045 1.66021417 2.91357693 -0.87596212 -0.08018831 4.1907224 -10.84051055 7.29536784 -13.92543091 -5.86684067 2.17421859 5.12372802 1.195E-9 2.672E-9 5.976E-9 1.336E-8 2.988E-8 6.6809999999E-8 1.494E-7 3.341E-7 7.47E-7 0.0000016699999999 0.000003735 0.000008352 0.00001867 0.000041759999999 0.00009337 99-62-7 7450 144208516 AC Fns 1,3-Diisopropylbenzene CC(C)c1cccc(c1)C(C)C Tox21_201318 -NCGC00259272-01 196706777 tox21-ror-cho-viability-p1 set1 4 -1.13260694 5.88665637 1.17375728 4.55271028 2.96120779 3.52907754 0.34298933 6.51178008 1.01637827 0 -2.17311078 2.83597064 1.56756274 1.75144965 2.31467236 1.164E-9 2.6039999999E-9 5.822E-9 1.302E-8 2.911E-8 6.509E-8 1.4549999999E-7 3.254E-7 7.2769999999E-7 0.0000016269999999 0.000003639 0.000008136 0.00001819 0.00004068 0.000090959999999 101-77-9 7577 144208921 A A 4,4'-Methylenedianiline Nc2ccc(Cc1ccc(N)cc1)cc2 Tox21_201723 -NCGC00259720-01 196706779 tox21-ror-cho-viability-p1 set1 4 -11.43190091 -9.67754669 -13.14405152 -20.45931126 -5.49692039 -8.01593814 -11.4625077 -7.78127385 -8.54728827 0 3.39325937 -10.07150361 1.01913422 -10.54069715 -17.67490541 1.164E-9 2.602E-9 5.818E-9 1.301E-8 2.909E-8 6.5049999999E-8 1.454E-7 3.252E-7 7.2719999999E-7 0.0000016259999999 0.000003636 0.000008131 0.00001818 0.00004065 0.0000909 60-33-3 5280450 144209369 A A Linoleic acid O=C(O)CCCCCCC/C=C\C/C=C\CCCCC Tox21_202171 -NCGC00257113-01 196707172 tox21-ror-cho-viability-p1 set1 4 0.54799869 1.59290373 2.95408627 2.57845117 0.85838381 4.81808662 8.04663915 5.20845928 0.97282227 3.80466566 0.27902834 9.27994683 3.61384761 1.96854612 9.21753068 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2702-72-9 23676704 144213565 Ac Ac 2,4-D sodium salt [Na+].Clc1cc(Cl)ccc1OCC([O-])=O Tox21_303248 -NCGC00257455-01 196707177 tox21-ror-cho-viability-p1 set1 4 1.41622569 -1.2576158 0.29741931 4.08322656 -4.01447469 -1.14187942 0.66191502 1.70590032 1.81381435 3.99083392 2.21687547 1.87049222 0.17240752 -0.80693991 9.14498859 9.0249999999E-10 2.018E-9 4.513E-9 1.009E-8 2.2559999999E-8 5.045E-8 1.1279999999E-7 2.523E-7 5.641E-7 0.0000012609999999 0.0000028199999999 0.0000063059999999 0.000014099999999 0.00003153 0.00007051 1405-86-3 14982 144213802 Ac Glycyrrhizin O=C(O)[C@H]7O[C@@H](O[C@@H]6[C@@H](O)[C@H](O)[C@H](O[C@@H]6O[C@H]2CC[C@]3(C)[C@H]4C(=O)C=C1[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]1(C)[C@]4(C)CC[C@H]3C2(C)C)C(=O)O)C(=O)O)[C@H](O)[C@@H](O)[C@@H]7O Tox21_303493 -NCGC00091044-02 196707178 tox21-ror-cho-viability-p1 set1 4 0.0462461828 -15.0223415399 -5.1545668 -20.1769083399 0.8999999999 0.5617145295 0.1413239274 -7.35490095 -3.46454402 -3.462139 -13.86057155 -17.14893493 -5.9748456 -11.67025951 -21.79371341 -23.64704724 -22.81857662 -21.8692316 -24.73075695 -13.69511806 -13.27880756 -8.80200732 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.165E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00015204-09 196705551 tox21-ror-cho-viability-p1 set1 4 37.5780357627 -13.5523010439 -2 -15.5523010439 4.9549173134 0.8060531797 0.0071765895 0.56030973 -2.97913453 -1.76632527 -1.17635919 -1.11888513 -1.29017018 -5.41112444 -2.32636388 -0.94528755 -1.37947512 -1.81046623 -2.24002559 -2.61816159 -0.91207217 -12.96025087 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 154-93-8 2578 170464880 A Carmustine O=C(NCCCl)N(CCCl)N=O Tox21_110097_1 -NCGC00164631-05 196705132 tox21-ror-cho-viability-p1 set1 -2.2 29.8492948118 -52.1975073033 -2.314178762 -54.5116860653 3.5722481694 0.8982118314 0.0003518932 0.59136284 -1.91096182 2.49759233 -1.95121915 -6.26161009 0.9362406 0.06988672 1.08997888 -0.25900525 0.25852245 -9.81541636 -5.564745 -9.82757279 -11.30114112 -45.64419529 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 341031-54-7 60196290 170465289 A Sunitinib malate O=C(O)C(O)CC(=O)O.CCN(CC)CCNC(=O)C1C(C)=C(N=C1C)/C=C2/c3cc(F)ccc3NC2=O Tox21_112249_1 -NCGC00258023-01 196730166 tox21-ror-cho-viability-p1 set3 4 0.73164608 3.78883705 5.39358556 2.61043646 3.4586546 4.40753395 0.39079952 3.11272256 4.53482766 4.05892966 4.84988344 -1.75380242 3.22362897 -0.20575715 -4.43075638 1.1859999999E-9 2.651E-9 5.928E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009262 92-88-6 7112 144207667 A A 4,4'-Biphenyldiol Oc1ccc(cc1)c2ccc(O)cc2 Tox21_200469 -NCGC00258071-01 196729330 tox21-ror-cho-viability-p1 set3 4 1.51063379 0.43672483 2.33218252 -1.2030785 3.39844365 2.04901195 1.84379232 1.72495691 -1.78981518 1.32568496 0.64473968 2.34310702 -1.78652624 -2.46099685 -1.04253915 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.000041429999999 0.000092629999999 540-23-8 10891 144207715 A A 4-Methylaniline hydrochloride Cl.Cc1ccc(N)cc1 Tox21_200517 -NCGC00258291-01 196729349 tox21-ror-cho-viability-p1 set3 4 -0.26591248 -1.58517323 3.10835408 3.32653839 4.02535561 -0.14498666 1.87586307 -0.86906307 3.22619507 2.85838022 4.05951991 0.14823314 -0.60623152 -0.35739912 0.51690721 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.5809999999E-8 1.472E-7 3.291E-7 7.358E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.00004113 0.00009198 121-89-1 8494 144207935 A A 3-Nitroacetophenone O=[N+]([O-])c1cc(ccc1)C(C)=O Tox21_200737 -NCGC00258724-01 196729752 tox21-ror-cho-viability-p1 set3 -2.2 55.6482624936 -51.3336410997 -0.632195249 -51.9658363487 1.5094870999 0.8813586782 0.000746846 1.95389465 0.22758496 0.99037497 0.76685954 0.04062528 0.55472498 1.4875291 -8.85057538 -0.66688561 -1.18922281 1.57315226 -11.19356276 -9.56221663 -15.27563361 -39.36805784 1.2009999999E-9 2.686E-9 6.005E-9 1.3429999999E-8 3.003E-8 6.714E-8 1.501E-7 3.3569999999E-7 7.506E-7 0.0000016779999999 0.000003753 0.0000083919999999 0.000018769999999 0.00004196 0.000093829999999 13010-08-7 9570281 144208370 A A N-Butyl-N'-nitro-N-nitrosoguanidine CCCCN(N=O)C(=N)N[N+]([O-])=O Tox21_201172 -NCGC00257637-01 196730176 tox21-ror-cho-viability-p1 set3 4 54.5380840886 18.0307689479 -0.0307689479 18 1.98874246 0.9087685644 0.0002072388 0.27614377 -1.45591569 0.74211226 -2.52564079 0.55153069 0.74387256 1.12006162 -1.07253695 -0.42450588 1.1937673 0.58581664 -0.08444071 3.46051114 5.09854094 13.86608414 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3839999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004128 0.00009229 244-63-3 64961 144207281 A A Norharman c2cncc3nc1ccccc1c23 Tox21_200083 -NCGC00258200-01 196730186 tox21-ror-cho-viability-p1 set3 4 35.2520564015 9.8398116079 -1.8398116079 8 1.8579476909 0.3731999215 0.2990459566 2.64349721 -2.38620617 -4.4103079 -0.24937846 -5.04984802 -4.86882915 -4.43108171 2.07640978 2.7036593 0.41631442 -9.03317634 0 2.00945002 2.64394933 7.08708471 1.2049999999E-9 2.694E-9 6.0249999999E-9 1.347E-8 3.012E-8 6.736E-8 1.506E-7 3.368E-7 7.5309999999E-7 0.0000016839999999 0.000003765 0.0000084199999999 0.000018829999999 0.0000421 0.00009413 3282-30-2 62493 144207844 D 2,2-Dimethylpropanoyl chloride CC(C)(C)C(Cl)=O Tox21_200646 -NCGC00258754-01 196730580 tox21-ror-cho-viability-p1 set3 4 0.0197052986 5.8330832639 -1.8330832639 4 4.9549173134 0.6037287788 0.0957094078 -2.03434828 -1.96179398 -0.13466033 -3.61090272 6.26677248 6.60686842 2.68643513 2.23295278 4.90665301 3.80863893 0.89276241 2.63776257 2.44976819 2.28322493 7.68299595 1.1989999999E-9 2.6809999999E-9 5.995E-9 1.3409999999E-8 2.998E-8 6.703E-8 1.4989999999E-7 3.351E-7 7.494E-7 0.000001676 0.000003747 0.000008378 0.00001873 0.00004189 0.00009367 107-15-3 3301 144208400 Ethylenediamine NCCN Tox21_201202 -NCGC00257752-01 196730578 tox21-ror-cho-viability-p1 set3 4 0.0000067298 -35.48128714 -34.36751843 -33.51032888 -32.11676139 -28.23023109 -19.49666263 -22.97474035 -19.85631425 -0.72714567 -0.20542672 -1.53443109 0.1647034 -0.42607922 0.13360152 0.0521732 1.194E-9 2.6689999999E-9 5.968E-9 1.3339999999E-8 2.9839999999E-8 6.672E-8 1.4919999999E-7 3.3359999999E-7 7.4599999999E-7 0.000001668 0.00000373 0.00000834 0.00001865 0.0000417 0.00009324 619-67-0 12089 144207396 FC 4-Hydrazinobenzoic acid NNc1ccc(cc1)C(=O)O Tox21_200198 -NCGC00258406-01 196730581 tox21-ror-cho-viability-p1 set3 4 1.27054969 -1.83621226 -1.40310163 -0.57397063 1.0774269 3.66717942 2.4212368 1.3102103 3.19884777 5.05588005 0.04767103 1.69333819 0.16157873 1.39778373 1.52333356 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.00009229 5437-38-7 21575 144208050 A A 3-Methyl-2-nitrobenzoic acid O=[N+]([O-])c1c(C)cccc1C(=O)O Tox21_200852 -NCGC00258615-01 196729844 tox21-ror-cho-viability-p1 set3 4 0.68566551 -0.31689307 1.9926692 -1.4358931 1.50674667 3.83037243 1.26625028 -1.26858912 0.44206611 -1.62092844 1.40680177 3.18453817 0.06329298 -1.07380762 0.05407988 1.1609999999E-9 2.5959999999E-9 5.805E-9 1.298E-8 2.9019999999E-8 6.4899999999E-8 1.451E-7 3.245E-7 7.256E-7 0.000001622 0.000003628 0.000008112 0.00001814 0.00004056 0.0000907 17540-75-9 86583 144208260 A A 4-(Butan-2-yl)-2,6-di-tert-butylphenol CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(C)CC Tox21_201062 -NCGC00257946-01 196729429 tox21-ror-cho-viability-p1 set3 4 0.2548954 -0.94153734 0.38655687 -2.28895388 1.06684621 8.70389834 -0.75244618 0.91638147 2.70861366 -0.16948172 -0.58562361 1.91475179 1.69273979 -1.62406179 -3.40106036 1.162E-9 2.599E-9 5.812E-9 1.2999999999E-8 2.9059999999E-8 6.4979999999E-8 1.453E-7 3.249E-7 7.265E-7 0.000001624 0.000003632 0.000008122 0.00001816 0.00004061 0.000090809999999 594-18-3 11659 144207590 Dibromodichloromethane BrC(Br)(Cl)Cl Tox21_200392 -NCGC00258623-01 196729828 tox21-ror-cho-viability-p1 set3 4 0.0048755324 -8.983307624 8.5 -0.483307624 2.3531167061 0.5936230013 0.1027154362 8.51106768 6.02935287 3.6459054 -0.38829768 -0.30917663 -7.06942302 1.11236448 1.09666086 3.49643082 -0.22933006 -0.43503371 1.28963681 0.69668624 -2.61421398 -1.5441379 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.397E-7 0.0000016539999999 0.0000036989999999 0.0000082699999999 0.000018489999999 0.00004135 0.00009247 76-02-8 6420 144208268 Trichloroacetyl chloride ClC(Cl)(Cl)C(Cl)=O Tox21_201070 -NCGC00257803-01 196729838 tox21-ror-cho-viability-p1 set3 4 1.3629778124 -12.6528561399 2 -10.6528561399 0.7 0.7413514898 0.0223015549 -0.70387895 1.19346942 2.48631628 3.0039965 1.44095747 1.1070288 3.16679749 -5.27995534 -5.64177885 -4.27094483 -0.40887059 -12.21071345 -9.61993381 -9.53368587 -8.86723541 1.1759999999E-9 2.631E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.288E-7 7.3529999999E-7 0.0000016439999999 0.000003676 0.000008221 0.000018379999999 0.0000411 0.000091909999999 1522-92-5 15206 144207447 A B 3-Bromo-2,2-bis(bromomethyl)propanol BrCC(CBr)(CBr)CO Tox21_200249 -NCGC00091044-02 196724083 tox21-ror-cho-viability-p1 set3 4 26.006139744 11.1145078359 -3.1145078359 8 4.9549173134 0.6208254955 0.0968144521 -7.17875653 -5.78585625 -1.22261519 -2.5424339 -0.68331554 -0.68274821 -5.26110205 -0.39651789 -1.53777468 -5.93021637 -3.57708332 -2.7092303 -2.78611675 7.56207837 -13.67866925 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00260082-01 196724087 tox21-ror-cho-viability-p1 set3 -2.1 61.9396194111 -95.1239287621 -2.044255183 -97.1681839451 4.4494702849 0.9664843279 9.084E-7 -9.01413442 -10.83725145 0.19221449 -0.91538273 -8.37488104 1.532203 0.29367302 1.08385481 -0.15113263 0.80652212 -1.79310833 -0.14298924 -1.5697945 -16.82863796 -83.91034883 1.193E-9 2.667E-9 5.963E-9 1.333E-8 2.981E-8 6.6669999999E-8 1.491E-7 3.3329999999E-7 7.4539999999E-7 0.0000016669999999 0.0000037269999999 0.000008333 0.00001863 0.00004167 0.00009317 149845-06-7 60934 144209731 A A Saquinavir mesylate CS(=O)(=O)O.NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN4C[C@H]5CCCC[C@H]5C[C@H]4C(=O)NC(C)(C)C Tox21_202533 -NCGC00357218-01 196724094 tox21-ror-cho-viability-p1 set3 -2.2 54.4826732819 -45.5630516001 -1.7074379239 -47.270489524 3.1319983358 0.9333656152 0.0000396532 -7.02197251 -1.99978143 -2.74809088 -2.53670137 0.82649001 -0.25404362 2.47552354 -6.32198015 -3.15146644 -0.73099857 2.25182458 -1.92841218 -0.57489882 -16.13762729 -39.5988557 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1571-75-1 623849 251919835 A 4,4'-(1-Phenylethylidene)bisphenol CC(c1ccc(O)cc1)(c2ccccc2)c3ccc(O)cc3 Tox21_303999 -NCGC00016394-10 196697916 tox21-ror-cho-viability-p1 set1 4 0.38241902 0.58234037 -0.61964765 0.57888269 0.07269987 -1.79236872 -3.56724394 0 -0.21011824 0.52075955 1.15830083 -4.39754442 1.66005625 0.5898319 -2.78127271 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 131-57-7 4632 170465010 A 2-Hydroxy-4-methoxybenzophenone O=C(c1ccc(cc1O)OC)c2ccccc2 Tox21_110418_1 -NCGC00179332-03 196697922 tox21-ror-cho-viability-p1 set1 4 0.026603212 3.9788229399 -4.4788229399 -0.5 4.9549173134 0.4115312729 0.2810991058 -0.65757989 -3.95368354 -7.28581221 -2.87478387 -7.48235245 -0.77837228 0.59719428 0.62703304 -3.89798426 2.7954307 1.51575789 -2.56768144 -2.32045619 0.18008854 -7.41875883 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 65473-14-5 5281098 170464903 A Naftifine hydrochloride Cl.CN(C\C=C\c1ccccc1)Cc3cccc2ccccc23 Tox21_110677_1 -NCGC00270540-02 196697937 tox21-ror-cho-viability-p1 set1 4 0.16192509 0.18327785 1.26749975 1.7952395 2.62623409 1.18858396 2.90059376 2.73231379 -0.77052966 2.51612499 2.14626273 4.8811327 0.22173712 -0.48376109 3.28068616 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72432-03-2 441314 170465326 Z Miglitol OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO Tox21_111436_1 -NCGC00091470-05 196698335 tox21-ror-cho-viability-p1 set1 4 -1.24503718 -0.74470839 -0.89647728 -0.18864163 0.11684384 0.16907352 -0.31360545 0.70487081 -0.58653275 -0.83958382 -3.19396696 -1.27578163 0.0869888 0.17828566 1.82712496 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97-54-1 7338 170465654 F Isoeugenol Oc1ccc(cc1OC)C=CC Tox21_111138_1 -NCGC00254976-01 196699200 tox21-ror-cho-viability-p1 set1 4 1.04031274 -0.14769903 3.24821386 1.44138719 2.89764406 3.37955741 1.54198916 3.40778173 0.10641546 2.05749552 -0.82355312 -0.02008958 -0.03444205 3.11272789 -1.57786756 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 628-87-5 69413 144211392 A Iminodiacetonitrile N#CCNCC#N Tox21_301075 -NCGC00254582-01 196698790 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -17.863768096 -1.5 -19.363768096 4.9549173134 0.5322543833 0.1508858815 0.54751279 1.78907669 -6.6882073 -0.03579383 0.06914892 -1.69390503 0.01988232 -6.0713317 -0.66194646 2.74862161 -1.70725953 0.79878206 -8.97751035 -0.13212913 -15.30314008 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-43-7 7017 144210991 A A 2-Phenylphenol Oc2ccccc2c1ccccc1 Tox21_300674 -NCGC00253950-01 196698795 tox21-ror-cho-viability-p1 set1 -2.1 39.6626671358 -69.6266623834 -2.957198901 -72.5838612844 3.0654483358 0.9616834498 0.0000019275 -0.25646645 -1.24752081 -4.80024313 -4.96822496 -8.0212619 -0.21201709 -4.93410287 -8.06177461 -5.27696324 0 -6.04040322 0.11451834 -0.29652853 -32.05827137 -64.45747067 9.969E-10 2.229E-9 4.9839999999E-9 1.1149999999E-8 2.492E-8 5.573E-8 1.246E-7 2.786E-7 6.23E-7 0.000001393 0.000003115 0.000006966 0.00001558 0.00003483 0.000077879999999 221671-62-1 60196406 144210568 A F SR146131 trifluoroacetate (1:1) O=C(Nc3nc(c1cc(OC)c(Cl)cc1OC)c(CCC2CCCCC2)s3)c5cc4cc(C)cc(C)c4n5CC(=O)O.FC(F)(F)C(=O)O Tox21_300248 -NCGC00254699-01 196699194 tox21-ror-cho-viability-p1 set1 -2.1 54.4826732819 -91.313816011 -0.146938121 -91.460754132 1.6258976909 0.9835163182 1.55E-8 1.20836875 -2.02882906 -3.20360589 -0.30034864 1.88630987 1.26362374 2.18093111 1.93036481 0.29240826 -0.64931941 -2.8840409 -7.25305582 -16.00751852 -32.45105222 -69.2884501 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 114369-43-6 86138 144211112 A A Fenbuconazole Clc3ccc(CCC(Cn1cncn1)(C#N)c2ccccc2)cc3 Tox21_300795 -NCGC00254701-01 196699214 tox21-ror-cho-viability-p1 set1 4 1.10192624 0.71283833 6.57435636 0.2727628 3.18180437 0.1864719 -1.09923991 -0.22829918 3.67995331 -2.10235369 0.55908734 3.20274485 5.02323523 5.24873812 0.44362034 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10258-54-5 25106 144211114 A A 2-Methoxyethyl cyanoacetate O=C(CC#N)OCCOC Tox21_300797 -NCGC00254235-01 196699851 tox21-ror-cho-viability-p1 set1 4 1.27023808 2.11042745 1.36575684 0.00553362 0.01225258 -3.96462177 -1.94740947 -0.48576071 -0.59734157 -3.98733624 0.34418179 -1.18484148 -2.22705408 -1.93846488 1.33395827 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 83-41-0 6739 144210652 A A 1,2-Dimethyl-3-nitrobenzene Cc1c(C)cccc1[N+](=O)[O-] Tox21_300334 -NCGC00254100-01 196699443 tox21-ror-cho-viability-p1 set1 4 3.30907516 -1.92658895 2.53435233 0.29688472 1.04153796 -2.13022677 3.92891488 1.97526121 2.71713811 3.41094952 4.55356229 1.16476391 3.32280578 -2.13083535 -0.15153972 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33703-08-1 6427097 144210611 D Hexanedioic acid, diisononyl ester CC(C)CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C Tox21_300291 -NCGC00254047-01 196699840 tox21-ror-cho-viability-p1 set1 4 1.34738447 2.17288635 2.2194002 0.69292029 -0.81041595 0.50495407 2.56617577 0.0138827 1.30580862 1.4678528 1.96293763 -0.75952953 -2.48040383 -1.26622947 -0.46073756 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13674-87-8 26177 144210514 A A TDCPP ClCC(OP(=O)(OC(CCl)CCl)OC(CCl)CCl)CCl Tox21_300194 -NCGC00254194-01 196699848 tox21-ror-cho-viability-p1 set1 4 -2.78152713 -2.08487064 -4.60023907 -2.68425317 -0.78148044 3.09205775 -0.16436667 0.11041413 -2.65278215 -1.32177779 -8.35674598 -2.92702697 -2.7005211 -3.07651651 -2.93669071 1.754E-9 3.921E-9 8.768E-9 1.9609999999E-8 4.3839999999E-8 9.803E-8 2.192E-7 4.902E-7 0.000001096 0.000002451 0.00000548 0.00001225 0.0000274 0.00006127 0.000137 1075752-90-7 60196405 144210565 A A SSR 103800 Cl.FC(F)(F)c1ccc(Cl)c(c1Cl)C(=O)N[C@@H]([C@@H]3CN2CCC3CC2)c4ccccc4 Tox21_300245 -NCGC00254023-01 196699852 tox21-ror-cho-viability-p1 set1 4 4.9646125558 7.845286636 -1.845286636 6 4.9549173134 0.5300056335 0.1528568048 0.09916959 -0.54913246 1.93607596 -1.0619319 -0.18844925 1.34574156 1.76370396 -6.55577074 -8.20440553 -7.44807778 -0.13609475 5.28730358 8.31243716 5.05294852 4.44396491 1.202E-9 2.688E-9 6.0109999999E-9 1.344E-8 3.005E-8 6.7199999999E-8 1.503E-7 3.36E-7 7.5129999999E-7 0.0000016799999999 0.0000037569999999 0.0000084 0.00001878 0.000042 0.00009392 51-21-8 3385 144210432 A A 5-Fluorouracil FC1=CNC(=O)NC1=O Tox21_300112 -NCGC00025002-04 196697787 tox21-ror-cho-viability-p1 set1 4 0.0149600855 4.138759484 -1.138759484 3 2.4063783767 0.3340679562 0.3389845545 1.06183238 -1.9417587 -4.28229957 2.16863965 -0.58633181 3.49661071 3.82195253 4.96682966 1.25899669 -2.28902112 5.92667646 3.1117132 0.02856837 3.22568372 5.61023004 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 102394-31-0 107867 170466332 A AF-DX 116 O=C(CN1CCCCC1CN(CC)CC)N4c2ccccc2C(=O)Nc3cccnc34 Tox21_110942_1 -NCGC00260508-01 196723960 tox21-ror-cho-viability-p1 set3 4 11.89772379 -10.22892454 0 -10.22892454 4.9549173134 0.3693053326 0.3185800049 1.87724103 6.44803943 -7.86499247 -4.26053289 -0.63522433 -2.07789078 1.10880238 -0.94365038 2.32318606 1.01851725 0.16607271 6.09472197 -2.41222841 -10.19077045 -2.09915929 5.905E-10 1.32E-9 2.952E-9 6.601E-9 1.476E-8 3.3009999999E-8 7.381E-8 1.65E-7 3.69E-7 8.252E-7 0.000001845 0.000004126 0.000009226 0.000020629999999 0.00004613 10527-16-9 82703 144210160 A F 10-Chloro-9-anthraldehyde O=Cc2c1ccccc1c(Cl)c3ccccc23 Tox21_202962 -NCGC00260051-01 196723962 tox21-ror-cho-viability-p1 set3 4 -6.5395731 -2.09727484 -2.30323577 1.26326297 -0.83723133 -8.6135158 5.48804929 -8.01761689 -2.86307035 -5.75166004 2.8816324 -6.64909278 -4.97734072 -4.37154828 -11.97109535 1.2399999999E-9 2.772E-9 6.1989999999E-9 1.386E-8 3.099E-8 6.9299999999E-8 1.55E-7 3.4649999999E-7 7.748E-7 0.000001733 0.000003874 0.000008663 0.00001937 0.00004331 0.00009685 1277-43-6 92884 144209700 Fc Cobaltocene [Co+2].[c-]1cccc1.c1[c-]ccc1 Tox21_202502 -NCGC00260437-01 196723963 tox21-ror-cho-viability-p1 set3 4 1.9606731079 -10.2578373319 3.5 -6.7578373319 1.372261 0.529177045 0.1530960312 -5.77177717 3.18292412 2.96454203 1.99258388 8.23133768 8.73610537 10.6890793 -2.43666382 -0.28818866 -0.14941117 -2.6143951 -7.10318237 -6.52397601 -8.13153111 -4.19359585 1.194E-9 2.67E-9 5.9699999999E-9 1.335E-8 2.985E-8 6.6739999999E-8 1.4919999999E-7 3.337E-7 7.4619999999E-7 0.000001669 0.0000037309999999 0.000008343 0.00001866 0.00004171 0.00009328 1291-32-3 22833502 144210089 Fns Zirconocene dichloride Cl[Zr](Cl)(C1C=CC=C1)C2=CC=CC2 Tox21_202891 -NCGC00015131-05 196697789 tox21-ror-cho-viability-p1 set1 4 4.19412641 3.56894526 -1.09930676 0.652748 2.03343126 1.07605483 1.45295155 -0.00316675 0.70137148 0.62698762 2.35970491 1.04585372 0.4431845 -0.82595531 -1.19384855 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 36067-72-8 169743 170466333 Z Azepexole hydrochloride Cl.Cl.CCN1CCc2oc(N)nc2CC1 Tox21_111214_1 -NCGC00015196-09 196697794 tox21-ror-cho-viability-p1 set1 4 1.50561669 -1.8651612 -0.66541722 0.61102504 -1.02523931 -4.83000713 -2.59033161 -0.77971506 -0.35463987 -2.63521481 -14.86236913 -1.76606359 -0.54036559 0.56664965 5.62385845 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59939-16-1 2765 170466314 A Cirazoline O(CC1=NCCN1)c2ccccc2C3CC3 Tox21_110095_1 -NCGC00167471-02 196697804 tox21-ror-cho-viability-p1 set1 4 29.8492948118 -13.904080528 0.5 -13.404080528 4.9549173134 0.839573375 0.003121141 -1.06203685 -1.24171005 2.77595715 0.37454588 3.42484224 0.69065164 0.82337174 -0.37385852 -0.67405436 2.15742865 -0.89475146 0.55378889 2.08402485 -1.74193982 -12.00340044 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 532-11-6 2194 170465669 F Anethole trithione COc1ccc(cc1)C2=CC(=S)SS2 Tox21_112475_1 -NCGC00015864-07 196697808 tox21-ror-cho-viability-p1 set1 4 1.6347045 5.67847506 4.21202317 3.20168053 5.77545971 3.23692019 2.83583302 2.211525 5.04897097 -0.79193927 5.69974941 5.15803131 4.05016991 4.94493668 3.94078776 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-05-8 5795 170464937 A Procaine hydrochloride Cl.Nc1ccc(cc1)C(=O)OCCN(CC)CC Tox21_110248_1 -NCGC00259832-01 196706803 tox21-ror-cho-viability-p1 set1 4 0.0038570779 9.5713003399 -9.0713003399 0.5 4.9549173134 0.8155873233 0.0057560655 -7.90940309 -10.05941695 1.24477353 2.49248269 -0.46559944 1.25591952 0.50792017 0.96910432 -1.25583243 -2.21579044 -0.64345669 1.95043459 -1.14308481 1.11934919 0.14989263 1.18E-9 2.6389999999E-9 5.9009999999E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.299E-7 7.376E-7 0.000001649 0.000003688 0.0000082469999999 0.00001844 0.000041229999999 0.0000922 109-09-1 7977 144209481 AC Ac 2-Chloropyridine Clc1ccccn1 Tox21_202283 -NCGC00259714-01 196708434 tox21-ror-cho-viability-p1 set2 -2.2 24.3612673097 -38.5662595039 -0.5 -39.0662595039 0.7999999999 0.9603553931 0.0000023383 -2.50992112 -0.20176193 1.09094816 -1.66441033 -1.21128844 -1.24135503 -0.05879978 -0.50271333 1.38736813 -6.93532186 -9.17521698 -13.86902176 -14.96343433 -22.38963043 -30.47188292 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.954E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3839999999E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.0000923 13473-26-2 83511 144209363 AC Ac D&C Red 27 Brc4c5Oc1c(Br)c(O)c(Br)cc1C3(OC(=O)c2c3c(Cl)c(Cl)c(Cl)c2Cl)c5cc(Br)c4O Tox21_202165 -NCGC00259240-01 196708837 tox21-ror-cho-viability-p1 set2 4 68.4501412252 -13.572318432 1 -12.572318432 4.9549173134 0.8213468973 0.0050565267 2.63217052 1.98090463 2.86647646 -0.63308524 -1.08668964 1.41951726 2.23651536 0.57016868 -0.82564477 0.94209056 1.69847344 -0.91308657 0.28596732 0.48664893 -10.06026536 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018399999999 0.00004115 0.000092019999999 590-01-2 11529 144208889 FC Butyl propionate CCC(=O)OCCCC Tox21_201691 -NCGC00256935-01 196707211 tox21-ror-cho-viability-p1 set1 4 6.1130564862 6.16958974 -1.66958974 4.5 4.9549173134 0.5058383214 0.1750517958 0.14545712 -1.64638886 -3.43175188 1.42701623 -0.90714392 -0.80195334 0.24273842 -0.41991718 -0.24540838 -5.49141461 -5.55799145 6.52446349 1.1695825 6.61057132 2.73872484 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 645-62-5 12582 144213460 F F 2-Ethyl-2-hexenal CCC(=CCCC)C=O Tox21_303143 -NCGC00256532-01 196707198 tox21-ror-cho-viability-p1 set1 4 96.8854161011 15.99948828 1.00051172 17 0.3 0.4408924912 0.2347999398 0.40047824 1.15317583 2.63765051 1.84964279 -0.8329069 7.30991613 1.85964729 7.39897349 5.1784348 2.04586839 4.76324296 7.904443 3.94522801 4.31756559 13.63235484 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 932-83-2 13613 144213137 A A N-Nitrosohexamethyleneimine O=NN1CCCCCC1 Tox21_302820 -NCGC00256500-01 196707209 tox21-ror-cho-viability-p1 set1 4 3.44923757 3.5723592 -0.27732687 1.64310828 3.61957811 2.36955022 -1.328867 -1.43213814 6.54591145 2.13444767 0.93630638 2.13555213 -0.81766706 -1.51533881 6.0321768 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-32-4 8467 144213220 A A 3-Ethoxy-4-hydroxybenzaldehyde CCOc1cc(ccc1O)C=O Tox21_302903 -NCGC00257272-01 196707215 tox21-ror-cho-viability-p1 set1 4 -9.48244929 -16.15588884 -10.6784556 -13.75731267 -17.73926506 -11.27083627 -1.84839065 -11.14009953 -21.66108327 -10.28158804 -14.03547237 -6.22281631 -16.16418846 -12.19251281 -5.39139769 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 115-99-1 61040 144213681 Ac F Linalyl formate O=COC(C)(CC\C=C(\C)C)C=C Tox21_303366 -NCGC00256453-01 196707618 tox21-ror-cho-viability-p1 set1 4 4.75255679 5.37826877 -0.03126943 4.34995384 2.86403672 -1.91876108 8.26363366 -0.39225228 0.64987467 1.31266424 -6.56130631 1.62341052 4.80272927 7.45280461 7.94453604 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 262-12-4 9216 144213148 A Ac Dibenzo-p-dioxin c1ccc2Oc3ccccc3Oc2c1 Tox21_302831 -NCGC00256739-01 196707631 tox21-ror-cho-viability-p1 set1 -2.1 60.5094261282 -75.9537532832 -5.165673844 -81.1194271272 1.0999999999 0.7713039751 0.013715899 -2.70910106 -12.7118775 1.69609312 0.82626699 5.20262698 -13.69763824 -7.6340861 -6.20587237 -12.84328062 -11.40084161 1.90778088 -24.45262772 -14.96880058 -26.11409457 -61.45411146 1.1699999999E-9 2.617E-9 5.852E-9 1.3079999999E-8 2.926E-8 6.542E-8 1.463E-7 3.271E-7 7.314E-7 0.0000016359999999 0.000003657 0.000008178 0.00001829 0.000040889999999 0.00009143 125225-28-7 86211 144212814 A A Ipconazole Clc1ccc(cc1)CC3CCC(C(C)C)C3(O)Cn2cncn2 Tox21_302497 -NCGC00256457-01 196708030 tox21-ror-cho-viability-p1 set1 4 1.16386747 1.41388197 0.83782985 0.63071982 0.89771492 1.23356117 2.3871001 1.37227844 1.34293259 -8.72979234 -6.22735748 3.30563375 3.70487591 -0.18259212 0.66324181 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1330-78-5 6529 144213203 A A Tricresyl phosphate Cc1ccc(cc1)OP(=O)(Oc2ccc(C)cc2)Oc3ccc(C)cc3 Tox21_302886 -NCGC00256677-01 196708035 tox21-ror-cho-viability-p1 set1 4 -9.30383947 -13.20597284 -4.97136454 -7.68465952 2.96278889 -4.03484023 -3.5450212 -13.25291139 -14.51621203 -9.63760542 -10.53891915 2.28865782 -14.61226899 -12.34719256 -18.02703664 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 23495-12-7 31954 144213035 A Ac Phenoxyethyl propionate CCC(=O)OCCOc1ccccc1 Tox21_302718 -NCGC00257057-01 196708046 tox21-ror-cho-viability-p1 set1 4 6.8589621897 9.79864752 -9.29864752 0.5 4.9549173134 0.3552658687 0.3308401039 0.70659805 -7.53379118 0.63886911 -6.89285422 -8.39123835 -15.6655396 -15.42317512 -12.70838374 -11.86995074 -10.22495081 -13.17075975 -0.88420985 0.41258811 -0.37076879 -6.4763416 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-77-0 7954 144213603 F 2,4,6-Trichloro-s-triazine Clc1nc(Cl)nc(Cl)n1 Tox21_303286 -NCGC00091146-04 196724434 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -12.5470446559 3 -9.5470446559 4.9549173134 0.3869424727 0.2863093502 2.45103375 4.99546838 1.91031421 -1.26410086 3.91415926 3.24477455 4.20102605 7.39063987 3.25717025 2.33004521 6.77738475 3.22618767 -4.96885093 3.9887819 -6.28920388 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00259858-01 196724440 tox21-ror-cho-viability-p1 set3 -2.4 76.9588215421 -33.8296392039 -0.5 -34.3296392039 4.9549173134 0.7274873206 0.0269420821 -2.93409521 0.37635406 0.56189017 0.19987784 2.94063763 -6.25334408 -1.47858348 6.94993412 0.48013428 -1.4695887 -1.41458589 -8.82089522 -0.54246779 6.16110827 -28.60803267 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1948-33-0 16043 144209507 Z Z tert-Butylhydroquinone CC(C)(C)c1cc(O)ccc1O Tox21_202309 -NCGC00357183-01 196724443 tox21-ror-cho-viability-p1 set3 -2.4 54.4826732819 -30.273517712 1 -29.273517712 1.4163171 0.7394146835 0.0228462818 -2.05082669 -2.0334482 1.13297148 1.14159956 -1.07744421 -2.10796075 1.90425704 2.77749591 3.368048 0.78657707 9.3788617 -6.2587314 -6.92995098 -7.73384388 -21.06126476 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76-83-5 6456 251919944 A Trityl chloride ClC(c1ccccc1)(c2ccccc2)c3ccccc3 Tox21_303949 -NCGC00357019-01 196724452 tox21-ror-cho-viability-p1 set3 4 -5.90061255 -5.04948554 -6.037796 -5.82796332 1.1404076 -4.18191996 0.80782925 -3.5005724 1.76373522 2.31498145 0.23401013 1.32711932 0.38753484 -0.31134581 -15.80451497 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63134-33-8 14178379 251919990 A BPS-MPE4 Oc1ccccc1S(=O)(=O)c3ccc(OCc2ccccc2)cc3 Tox21_304051 -NCGC00259013-01 196724853 tox21-ror-cho-viability-p1 set3 4 6.1379315785 -4.602002528 5.5 0.897997472 4.9549173134 0.3852897565 0.2892140693 0.41499853 2.45298633 5.18256378 5.05305202 5.85271387 2.87608981 7.14227082 8.25948873 9.35057527 7.76182796 6.81895833 0.67498223 1.51392196 3.48362152 -0.91833544 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.324E-8 2.96E-8 6.618E-8 1.4799999999E-7 3.309E-7 7.399E-7 0.0000016539999999 0.0000037 0.000008272 0.0000185 0.00004136 0.000092489999999 51-28-5 1493 144208660 A A 2,4-Dinitrophenol O=[N+]([O-])c1cc(ccc1O)[N+]([O-])=O Tox21_201462 -NCGC00357188-01 196724852 tox21-ror-cho-viability-p1 set3 -2.4 27.3060203028 -34.673304736 -0.5 -35.173304736 0.7999999999 0.8893537141 0.0005326656 -7.16977352 1.79960613 3.99284439 -3.17339081 0.97329607 1.53100173 0.60525404 -3.8703091 -3.76440114 -2.79787527 -4.11193229 -13.53108019 -14.24847521 -18.90834413 -26.81108728 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1100-88-5 70671 251919850 A Benzyltriphenylphosphonium chloride [Cl-].C(c1ccccc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4 Tox21_303954 -NCGC00260234-01 196724861 tox21-ror-cho-viability-p1 set3 4 0.007727198 10.126666836 -10.626666836 -0.5 4.9549173134 0.9496929653 0.0000088873 -9.96062088 -10.93888903 -9.47185529 -0.04648506 -0.79799646 -0.92246784 -0.56635227 0.40227644 -1.60862292 -0.81107317 -0.28271931 -0.05853325 -0.56405649 -2.21274587 1.33610842 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.309E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008272 0.0000185 0.00004136 0.00009248 597581-48-1 17841257 144209884 A A 1-Butyl-3-methylpyridinium tetrafluoroborate Cc1ccc[n+](CCCC)c1.F[B-](F)(F)F Tox21_202686 -NCGC00163843-03 196724867 tox21-ror-cho-viability-p1 set3 4 -3.99326798 0.0343914 0.06785271 -1.12187722 -1.16915137 -2.95553016 2.56540324 1.47810601 -2.67249223 1.97969646 1.30447152 0.67173646 1.38902145 4.54771435 2.48567153 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00258505-01 196701707 tox21-ror-cho-viability-p1 set1 4 -8.30843444 -5.42394915 -7.01973092 -1.04575279 -7.01110407 -4.9770817 -14.44614579 -7.12792779 -3.69921641 -8.47996231 -12.2372148 -8.75135067 -9.15460092 -7.16897959 -3.05926335 1.1989999999E-9 2.6819999999E-9 5.997E-9 1.3409999999E-8 2.999E-8 6.705E-8 1.4989999999E-7 3.352E-7 7.496E-7 0.000001676 0.000003748 0.000008381 0.000018739999999 0.00004191 0.00009371 1984-58-3 16125 144208150 A Ac 2,5-Dichloroanisole COc1cc(Cl)ccc1Cl Tox21_200952 -NCGC00255699-01 196701272 tox21-ror-cho-viability-p1 set1 -1.1 2.7306020303 -79.2365655529 -0.813193311 -80.0497588639 0.7999999999 0.9928242351 1E-10 -4.3144182 -3.32043483 -3.37206048 -0.26997759 -1.33968506 0.30808231 -3.93520618 -14.80255402 -23.19096429 -33.49856498 -43.59689788 -56.31316649 -64.16917034 -71.23389623 -77.8238508 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 555-60-2 2603 144212383 A A Carbonyl cyanide chlorophenylhydrazone Clc1cc(N\N=C(/C#N)C#N)ccc1 Tox21_302066 -NCGC00258675-01 196701699 tox21-ror-cho-viability-p1 set1 4 0.20409385 1.03115397 1.58855608 -4.658761 0.49729677 -0.9120241 -8.23045785 -5.19517705 3.29054994 1.02204394 -4.17535872 1.50776608 2.03196425 -0.34364318 -0.61997428 1.163E-9 2.5999999999E-9 5.8139999999E-9 1.2999999999E-8 2.9069999999E-8 6.5E-8 1.453E-7 3.25E-7 7.267E-7 0.000001625 0.000003634 0.000008125 0.00001817 0.000040619999999 0.00009084 41122-70-7 38764 144208321 A A 4-Hexyl-4'-cyanobiphenyl N#Cc1ccc(cc1)c2ccc(CCCCCC)cc2 Tox21_201123 -NCGC00258528-01 196701705 tox21-ror-cho-viability-p1 set1 4 0.0190955166 -6.7447000319 3 -3.7447000319 4.9549173134 0.4711533087 0.2056387519 3.22170078 2.91233456 -0.29153071 5.78479919 -6.74368583 0.2481987 -6.53068285 -3.09812355 -0.95266799 1.50062294 -9.37058336 -2.75336441 -6.06079926 -6.72334617 -3.23575793 1.1679999999E-9 2.6109999999E-9 5.838E-9 1.305E-8 2.919E-8 6.5269999999E-8 1.4599999999E-7 3.264E-7 7.298E-7 0.0000016319999999 0.0000036489999999 0.000008159 0.000018239999999 0.000040799999999 0.00009122 610-66-2 11888 144208173 A A (2-Nitrophenyl)acetonitrile O=[N+]([O-])c1ccccc1CC#N Tox21_200975 -NCGC00163735-04 196701708 tox21-ror-cho-viability-p1 set1 4 14.5106065892 -11.8523526999 2 -9.8523526999 2.7202212143 0.8196483558 0.0075231472 2.25870632 -0.67908121 1.31250546 4.31052545 0.97505914 1.24062241 1.91872772 3.0514071 4.53473076 -0.7067097 0.3558291 1.5019718 -7.07803583 -9.04362725 4.17997852 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00258175-01 196701711 tox21-ror-cho-viability-p1 set1 4 19.5673271669 8.37970254 -3.37970254 5 4.9549173134 0.5811789548 0.1118528687 -1.22014681 -3.72798235 -7.05340382 -0.21199434 -3.74375977 -4.15810393 -3.90282046 -5.19103808 -3.25318021 0.48216879 -2.1769283 -9.48308545 0.97705776 3.49685391 5.67057438 1.1919999999E-9 2.6659999999E-9 5.962E-9 1.333E-8 2.981E-8 6.6659999999E-8 1.491E-7 3.3329999999E-7 7.4529999999E-7 0.0000016659999999 0.000003726 0.000008332 0.00001863 0.00004166 0.00009316 55-21-0 2331 144207819 A A Benzamide NC(=O)c1ccccc1 Tox21_200621 -NCGC00257949-01 196702125 tox21-ror-cho-viability-p1 set1 4 0.0221097086 -8.048082792 -4.8698949839 -12.9179777759 1.331 0.4112674233 0.2617888147 -6.10284399 -4.05824582 -5.81634608 -7.45375075 -11.25789319 -9.67576185 -10.03957038 -14.7616054 -18.25753455 -16.53649601 -5.38662228 -8.80567732 -15.02719824 -8.39023962 -19.51498148 1.1989999999E-9 2.6819999999E-9 5.997E-9 1.3409999999E-8 2.999E-8 6.705E-8 1.4989999999E-7 3.352E-7 7.496E-7 0.000001676 0.000003748 0.000008381 0.000018739999999 0.00004191 0.00009371 120-62-7 8442 144207593 A A Piperonyl sulfoxide CCCCCCCCS(=O)C(C)Cc1ccc2OCOc2c1 Tox21_200395 -NCGC00258521-01 196702540 tox21-ror-cho-viability-p1 set1 4 0.0044645015 -10.230271488 3.5 -6.730271488 4.4494702849 0.598800578 0.0984450242 1.65460417 5.19667339 -6.23395585 -4.40328482 -8.70393973 -0.96540111 -11.02522624 -9.39005543 -3.81642923 -6.2028091 -5.30694987 -9.20541534 -3.82319572 -8.24094568 -6.34612088 1.211E-9 2.7079999999E-9 6.056E-9 1.3539999999E-8 3.028E-8 6.771E-8 1.514E-7 3.385E-7 7.57E-7 0.000001693 0.0000037849999999 0.000008464 0.00001893 0.00004232 0.00009463 6632-68-4 81133 144208166 A A 6-Amino-1,3-dimethyl-5-nitroso- 2,4(1H,3H)-pyrimidinedione CN1C(N)=C(N=O)C(=O)N(C)C1=O Tox21_200968 -NCGC00256011-01 196700888 tox21-ror-cho-viability-p1 set1 4 -0.49434267 -5.20384385 -2.56862988 -2.12750278 -1.58469508 -0.86734699 -1.313565 -1.07395078 -0.99585507 -0.73128176 0.07333541 -0.27280503 -0.96504839 0.52311536 -0.25107892 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-63-4 31219 144212100 A A Benzyl propanoate CCC(=O)OCc1ccccc1 Tox21_301783 -NCGC00255509-01 196700073 tox21-ror-cho-viability-p1 set1 4 0.0024336516 -9.236576112 4 -5.236576112 0.3 0.3127341999 0.3595351928 0.16231654 -0.12333144 -1.78821783 0.5008906 -5.27830559 -5.34736011 2.24168324 -4.83622634 -4.67052442 -6.02963596 -3.37647506 -1.57235691 -2.8910665 -8.94714676 -4.64728048 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-91-7 5359281 144212267 A A N,N'-Disalicylidene-1,2-diaminopropane Oc2ccccc2/C=N/C(C)C/N=C/c1ccccc1O Tox21_301950 -NCGC00256115-01 196700476 tox21-ror-cho-viability-p1 set1 4 1.37864843 -0.53895407 -7.34586121 1.15172463 1.47861267 -10.44766275 0.16867613 -9.58603576 -9.53732411 -0.6011191 -6.7929166 -0.21595535 -8.57309094 2.27755547 -13.13168776 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57609-64-0 93312 144212018 A A Propane-1,3-diyl bis(4-aminobenzoate) Nc1ccc(cc1)C(=O)OCCCOC(=O)c2ccc(N)cc2 Tox21_301701 -NCGC00255865-01 196700883 tox21-ror-cho-viability-p1 set1 4 -1.41345709 1.29842637 2.46948885 -0.94104601 -1.43296471 2.39030924 1.39508621 -1.32559946 0.12360662 7.87404767 -0.81610519 0.49675033 1.18037148 2.75811705 3.14983206 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-91-8 12328 144212337 F A Methyl hexanedioate O=C(CCCCC(=O)O)OC Tox21_302020 -NCGC00256242-01 196701299 tox21-ror-cho-viability-p1 set1 4 -3.30032346 1.51157266 -0.0005402 1.0215573 -4.33888051 1.59755524 0.7049862 0.4909732 -0.61355486 3.85968208 0.07454867 1.45936637 1.47061524 0.49078521 5.6512441 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 35543-24-9 6420013 144211752 A A Buflomedil hydrochloride Cl.COc2cc(OC)cc(OC)c2C(=O)CCCN1CCCC1 Tox21_301435 -NCGC00256300-01 196700890 tox21-ror-cho-viability-p1 set1 4 15.3553036427 9.467394336 -3.467394336 6 0.7999999999 0.4808787628 0.1972681873 0.23627119 0.19394942 -10.38949528 -4.59928032 -3.85666238 -5.3949887 -1.44693803 -3.7695006 0.41418257 -0.83089236 -3.59246385 -1.12412533 2.7245701 4.21196414 3.4715345 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88485-37-4 91747 144212109 A A Fluxofenim Clc1ccc(cc1)\C(=N\OCC2OCCO2)C(F)(F)F Tox21_301792 -NCGC00255134-01 196700894 tox21-ror-cho-viability-p1 set1 4 3.20805685 1.82691009 -2.26612329 1.37256391 -2.42784367 -4.15850473 -3.36377609 -1.08192866 -1.3127573 3.84057214 2.31029249 2.13021789 2.6544408 -0.73206267 5.66386853 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 786-19-6 13081 144211743 A A Carbophenothion Clc1ccc(SCSP(=S)(OCC)OCC)cc1 Tox21_301426 -NCGC00160537-04 196700902 tox21-ror-cho-viability-p1 set1 4 -3.71282051 -2.35220281 0.56553569 0.11979021 -0.47850528 -2.96830357 -1.44088943 -0.23463386 1.05082092 1.97188638 -4.53028092 -1.74210933 -0.23736769 -5.08114018 -1.47095688 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00258661-01 196701714 tox21-ror-cho-viability-p1 set1 4 3.89936133 2.35350888 2.5271127 5.24500123 -0.26029912 5.19042829 5.57480991 10.01591831 4.2289988 5.92195113 0.39762686 1.65658977 8.32554682 2.18118891 3.28517808 1.218E-9 2.7239999999E-9 6.091E-9 1.3619999999E-8 3.045E-8 6.81E-8 1.5229999999E-7 3.405E-7 7.6129999999E-7 0.000001702 0.0000038069999999 0.000008512 0.00001903 0.00004256 0.00009517 630-20-6 12418 144208307 AC Ac 1,1,1,2-Tetrachloroethane ClCC(Cl)(Cl)Cl Tox21_201109 -NCGC00257881-01 196701715 tox21-ror-cho-viability-p1 set1 4 68.6593799697 -31.509097068 -4 -35.509097068 0.7999999999 0.5886942129 0.1051982457 -3.23106484 -4.9277076 -5.22530156 -1.67800337 -9.60546494 -3.83873378 2.38975955 -5.83427303 -5.43308455 -11.90186475 -14.76227829 -7.84534586 -4.26495426 -14.91241638 -26.25758089 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.00009229 5436-43-1 95170 144207525 A A 2,2'4,4'-Tetrabromodiphenyl ether Brc2cc(Br)ccc2Oc1ccc(Br)cc1Br Tox21_200327 -NCGC00257945-01 196701721 tox21-ror-cho-viability-p1 set1 4 -10.56087196 -9.38641093 -0.18502594 -0.42202143 -10.31310524 0.03985603 -3.86378272 -12.4619064 -10.89868414 -5.31682526 -7.66477993 -15.11552984 -19.19491636 -9.70214729 -9.87401186 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 62476-59-9 44072 144207589 A F Acifluorfen-sodium [Na+].Clc2cc(ccc2Oc1cc(C([O-])=O)c(cc1)[N+]([O-])=O)C(F)(F)F Tox21_200391 -NCGC00090780-04 196701727 tox21-ror-cho-viability-p1 set1 4 -0.34939033 1.30861079 -0.84815387 0.54619308 0.31238306 3.54396254 1.09589166 0.54714658 6.9285668 1.38905684 0.21683675 3.09697161 0.94726011 0.65600798 0.65516678 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00258180-01 196702128 tox21-ror-cho-viability-p1 set1 4 -9.57841632 0.34595131 0.61494752 -4.62906223 0.95331586 -0.68374593 -13.25215587 1.26980038 0.62141721 -10.30995279 -5.28713663 -0.19958716 1.40722176 0.6031095 -0.16121449 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.303E-7 7.387E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 4186-68-9 12059921 144207824 F 1-Ethyl-1-methylpyrrolidinium iodide [I-].C[N+]1(CC)CCCC1 Tox21_200626 -NCGC00255130-01 196700490 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -32.8501225599 -2 -34.8501225599 4.4494702849 0.7810062028 0.0115719949 -1.81112952 -3.08795015 -5.14545654 -0.23404353 0.18083534 -3.84551336 -11.06150857 1.17733102 -2.97597641 -0.08237054 4.76723401 -3.61830105 0.56339845 -5.24755316 -27.7917688 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-06-7 31335 144211976 B 3-Bromo-1-chloro-5,5-dimethylhydantoin CC1(C)C(=O)N(Br)C(=O)N1Cl Tox21_301659 -NCGC00257524-01 196699663 tox21-ror-cho-viability-p1 set1 4 61.130564862 -23.021192948 2 -21.021192948 4.0449729863 0.9243089955 0.0000783941 -0.73902432 3.64004858 0.96192548 2.31168184 1.65819056 1.7486575 2.5648751 0.50303354 5.13996373 0.06239365 1.10491751 2.21029885 1.73556933 -1.73299916 -17.51766079 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2113-61-3 5284341 144211290 A B 4-Biphenylamine hydrochloride Cl.Nc1ccc(cc1)c2ccccc2 Tox21_300973 -NCGC00254478-01 196699681 tox21-ror-cho-viability-p1 set1 4 4.37524134 2.66752284 0.88154249 -2.5996514 2.55609347 0.3975366 -1.30805221 -0.44982718 2.35888506 6.68358642 -4.24593888 4.72169564 -1.78367568 2.00605556 0.86357214 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 629-76-5 12397 144210870 A A 1-Pentadecanol CCCCCCCCCCCCCCCO Tox21_300553 -NCGC00022398-05 196725855 tox21-ror-cho-viability-p1 set3 4 33.4914596268 -21.734452456 4.5 -17.234452456 4.9549173134 0.4459819508 0.2280265296 0.09226222 -0.96132702 2.69619033 4.27042664 2.82721887 5.7443716 20.05877873 6.77006959 0.01539846 10.22297089 2.54251727 2.77157991 1.4535711 4.12669702 -13.52871038 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 356-12-7 9642 170464717 A Fluocinonide CC(=O)OCC(=O)[C@]45OC(C)(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3C[C@H](F)C1=CC(=O)C=C[C@@]12C Tox21_110438_1 -NCGC00183837-01 196725848 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -35.17565881 -3.5 -38.67565881 4.9549173134 0.6407610432 0.0695540744 -9.81015788 -12.49350483 3.33648465 -7.51689117 -7.67267647 -7.29281667 -8.51168749 -7.42833387 0.68714335 3.67582206 4.03440385 -5.61912907 1.42264469 0.27131677 -33.9260165 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103377-41-9 60810 144206839 A A Monatepil Fc1ccc(cc1)N2CCN(CC2)CCCC(=O)NC3c5ccccc5SCc4ccccc34 Tox21_113288 -NCGC00183016-01 196726265 tox21-ror-cho-viability-p1 set3 4 0.23675012 5.50350675 5.82183071 1.4127247 1.22714517 5.37950389 1.18321236 7.01504508 0.64934025 13.95363172 0.72733674 4.53620595 5.58251757 2.90501378 3.47320827 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82547-58-8 5464257 144206853 B B Cefteram Nc1scc(n1)/C(=N\OC)C(=O)N[C@@H]4C(=O)N3C(=C(Cn2nc(C)nn2)CS[C@@H]34)C(=O)O Tox21_113302 -NCGC00018193-11 196726266 tox21-ror-cho-viability-p1 set3 4 3.7578035763 -8.4442444639 0 -8.4442444639 4.9549173134 0.4819566827 0.1952762338 -0.23671657 -2.58053127 3.36582152 3.59725211 -5.64833816 4.24376912 -6.22303741 -5.81824677 0.91415001 4.35931722 3.31793413 -5.00747675 -7.55850652 -8.6511484 -9.12020372 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54739-18-3 5324346 170464809 A Fluvoxamine FC(F)(F)c1ccc(cc1)C(\CCCCOC)=N\OCCN Tox21_110837_1 -NCGC00024613-06 196726267 tox21-ror-cho-viability-p1 set3 4 0.94999401 2.51893163 2.52718896 -0.97670468 1.28560794 6.03834759 -2.81074986 5.65778059 -1.88113752 5.9901166 1.23225369 3.9073336 5.05643524 -0.33396723 -2.73793438 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51411-04-2 2120 170466470 A Alrestatin O=C(O)CN3C(=O)c2cccc1cccc(c12)C3=O Tox21_110913_1 -NCGC00091759-02 196726269 tox21-ror-cho-viability-p1 set3 4 0 0 -7.59520823 -4.01754002 -7.17735818 1.57386137 1.11839861 -5.22629945 -1.00075351 -0.47806407 -2.27368289 3.66758371 -5.18352056 -1.74680309 -12.07950588 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00166237-02 196726271 tox21-ror-cho-viability-p1 set3 4 0.0473079441 7.1337028359 -0.1337028359 7 3.0654483358 0.5525972539 0.1341097544 3.00894569 1.3094905 -1.00162206 -1.36141903 -0.49566112 -0.1478103 6.66363587 10.48515619 4.00127384 2.39125389 3.91056181 10.35043596 12.92657889 7.27122838 4.19972576 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6968-72-5 71668 170466648 Z Mepiroxol [O-][n+]1cccc(CO)c1 Tox21_112363_1 -NCGC00160679-02 196726273 tox21-ror-cho-viability-p1 set3 4 0.47754557 -5.62285268 2.24823589 2.20648976 -2.34009413 1.66746207 0.80099419 -0.45450327 -6.78092442 -5.14569214 -1.8749048 -2.13637747 0.69655817 -2.08885049 0.3130462 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 96-62-8 14895 170466608 A Dinsed O=S(=O)(NCCNS(=O)(=O)c1cc(ccc1)[N+]([O-])=O)c2cc(ccc2)[N+]([O-])=O Tox21_111982_1 -NCGC00260173-01 196724147 tox21-ror-cho-viability-p1 set3 4 5.5314817823 -5.93393086 4 -1.93393086 4.9549173134 0.3142637143 0.3705709006 -1.19586827 4.70556852 3.63805227 3.99022797 10.62016469 1.58253845 10.59369309 -0.33792153 2.00896698 2.7622173 4.68836889 -2.71783886 -2.86160905 0.52185872 3.58893919 1.195E-9 2.672E-9 5.975E-9 1.336E-8 2.987E-8 6.6799999999E-8 1.494E-7 3.34E-7 7.468E-7 0.0000016699999999 0.0000037339999999 0.00000835 0.00001867 0.00004175 0.000093349999999 169051-76-7 11750474 144209823 A Ac 1,2-Dimethyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide Cc1[n+](CCC)ccn1C.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F Tox21_202625 -NCGC00181330-02 196698374 tox21-ror-cho-viability-p1 set1 -1.1 2.1131682429 -79.760982839 3.2870403379 -76.4739425011 4.9549173134 0.9709593018 4.032E-7 1.45173135 7.24915477 2.85747403 1.97037042 3.96092158 2.83791275 2.55939597 9.8305755 2.01052345 -7.43303925 -18.71550267 -81.60455356 -87.29902112 -71.48263193 -64.79894307 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 804-36-4 13118 170466778 A Nitrovin O=[N+]([O-])c2ccc(C=C/C(C=Cc1ccc(o1)[N+]([O-])=O)=N\NC(=N)N)o2 Tox21_112791_1 -NCGC00164620-02 196698376 tox21-ror-cho-viability-p1 set1 4 0.82218678 0.46488068 0.88238966 -2.09637979 0.33557111 1.6600438 -2.6717929 -2.27809003 -3.28969118 -0.70809509 -3.65850418 1.30272277 -0.57310065 -1.24624154 -3.10794661 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 124858-35-1 4410 170465882 A Nadifloxacin O=C(O)C3=CN2C(C)CCc1c(c(F)cc(c12)C3=O)N4CCC(O)CC4 Tox21_112239_1 -NCGC00091205-03 196698786 tox21-ror-cho-viability-p1 set1 4 0.02167176 1.83702639 0.90636847 0.89500709 -0.3360438 3.0812021 3.04680215 0.9666349 3.31565449 3.85020193 -0.09355626 2.25549416 -0.59569766 2.08288087 2.11742664 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00260097-01 196723724 tox21-ror-cho-viability-p1 set3 4 0.0013967536 14.939468848 -13.439468848 1.5 0.4999999999 0.5249026715 0.157551289 -10.24501356 -1.09319646 -10.36622404 -1.66538798 1.21817222 -2.78417335 1.33743041 1.50490269 -3.22691735 -2.2986348 0.37619292 4.11591863 1.37804435 1.61751934 2.81035657 5.571E-10 1.2459999999E-9 2.785E-9 6.2279999999E-9 1.393E-8 3.114E-8 6.963E-8 1.557E-7 3.482E-7 7.7849999999E-7 0.000001741 0.000003893 0.000008704 0.00001946 0.00004352 218-01-9 9171 144209746 A A Chrysene c1cc4ccccc4c2ccc3ccccc3c12 Tox21_202548 -NCGC00257902-01 196723727 tox21-ror-cho-viability-p1 set3 2.4 30.8560878831 25.557238024 -1.557238024 24 2.4063783767 0.7791737435 0.01195471 -4.05555332 -3.79661886 -6.7759501 3.39019113 0.21815275 -10.46436502 1.95334735 2.36283738 -0.98539937 1.68513197 -6.24939562 3.52884393 2.88792834 16.1430216 22.95332082 1.187E-9 2.6549999999E-9 5.937E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.3189999999E-7 7.421E-7 0.000001659 0.0000037099999999 0.000008297 0.00001855 0.000041479999999 0.00009276 633-65-8 12456 144207546 A A Berberine chloride [Cl-].COc2ccc1cc3c4cc5OCOc5cc4CC[n+]3cc1c2OC Tox21_200348 -NCGC00357084-01 196724127 tox21-ror-cho-viability-p1 set3 4 9.6885416101 14.5526363 -5.5526363 9 0.3 0.581514301 0.1115095653 -7.96053025 -1.95365918 -1.58793584 -7.20539903 -5.64691256 1.0551365 -3.27829852 -0.32869862 1.09263478 -3.12386012 2.70425607 -2.10398814 2.49621957 2.74556344 6.64806233 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 693-54-9 12741 251919662 Ac 2-Decanone CC(=O)CCCCCCCC Tox21_303799 -NCGC00016872-12 196697969 tox21-ror-cho-viability-p1 set1 4 2.38807994 -2.0791795 -2.38331688 -4.04051615 1.8175737 -2.67144458 -3.76207742 2.35484305 2.31092254 -2.12684428 -3.22398352 -3.21307504 1.1994343 1.72112605 -4.12041048 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55142-85-3 5472 170464698 A Ticlopidine hydrochloride Clc3ccccc3CN1CCc2sccc2C1 Tox21_110658_1 -NCGC00018261-06 196697976 tox21-ror-cho-viability-p1 set1 -2.1 26.6032120037 -94.1791861958 -1.114947345 -95.2941335408 4.4494702849 0.9882651904 2.1E-9 -0.77444753 3.40165251 -3.22502686 -2.54257205 -0.43078955 0.63921363 -0.53927576 2.5171484 0.02850258 -5.46989426 1.0644829 -4.51525799 -4.29112085 -24.03214248 -87.74782094 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6724-53-4 5284439 170466435 A Perhexiline O=C(O)\C=C/C(=O)O.C(C(C1CCCCC1)C2CCCCC2)C3CCCCN3 Tox21_111395_1 -NCGC00015857-09 196697988 tox21-ror-cho-viability-p1 set1 4 1.33839926 1.8011452 -1.99953011 1.35240854 -3.42108891 -0.02732223 0.01987342 1.52887458 1.29906591 3.28541196 4.15628693 1.81180169 1.58103651 0.09664378 0.33648617 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3605-01-4 4850 170466242 A Piribedil c1cc(cc2OCOc12)CN3CCN(CC3)c4ncccn4 Tox21_110245_1 -NCGC00024928-23 196697991 tox21-ror-cho-viability-p1 set1 -3 33.4914596268 -90.7454052406 -0.591223349 -91.3366285896 4.9549173134 0.9834068631 1.61E-8 0.05196491 -2.48959694 -0.88317499 0.459508 -1.20188737 5.79238385 0.94583251 -1.01408183 -1.26905022 -6.07094492 0.11360745 -0.93462326 -1.10169925 -7.38212087 -80.11984964 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54965-24-1 2733525 170465425 A Tamoxifen O=C(O)C(O)(CC(=O)O)CC(=O)O.CN(C)CCOc1ccc(cc1)/C(c2ccccc2)=C(/CC)c3ccccc3 Tox21_110938_1 -NCGC00261971-01 196697992 tox21-ror-cho-viability-p1 set1 4 -2.47076184 -0.09620564 0.66734878 0.42615881 0.38730146 1.46995907 0.69104111 2.15369809 -0.37103283 1.36065372 0.97613865 0.03400061 0.64335654 0.91643125 -0.42397063 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 42024-98-6 4019 170466055 A A Mazaticol OC(C(=O)OC1CC2CCC(C)(C)C(C1)N2C)(c3cccs3)c4cccs4 Tox21_113891 -NCGC00166149-02 196723545 tox21-ror-cho-viability-p1 set3 4 13.94314314 6.57905211 5.19207041 10.77332076 -2.66547226 6.23904923 -0.14372381 2.49547543 11.07242782 5.37142379 15.03062294 9.27678574 4.4261076 12.63983793 17.00661549 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 150824-47-8 3034287 170466859 A (E)-Nitenpyram Clc1ccc(CN(CC)C(=C\[N+]([O-])=O)\NC)cn1 Tox21_112342_1 -NCGC00160378-02 196723542 tox21-ror-cho-viability-p1 set3 4 -3.26642868 1.37295747 3.26637875 1.99848635 1.21220073 0.19138921 0 0 5.33430614 -0.01110983 1.93526955 1.37785648 -3.67059707 0.92670157 6.78908318 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 42879-47-0 39328 170466127 A Pranolium chloride [Cl-].CC(C)[N+](C)(C)CC(O)COc2cccc1ccccc12 Tox21_111774_1 -NCGC00015012-09 196723546 tox21-ror-cho-viability-p1 set3 4 1.64517662 13.94479186 -0.79273253 -3.56997519 15.08255693 7.18947803 -3.30537008 4.10380898 1.99201586 0.23597907 0.73266711 3.67162694 3.48849726 7.23545983 5.59888153 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60719-82-6 2081 170466583 A Alaproclate Clc1ccc(CC(C)(C)OC(=O)C(C)N)cc1 Tox21_110066_1 -NCGC00260178-01 196723951 tox21-ror-cho-viability-p1 set3 -3 69.7771103933 -73.5909062805 0.9835406979 -72.6073655826 4.9549173134 0.9193123853 0.0001079568 -4.7776854 4.85631759 6.34922351 -2.93982324 5.95979494 1.65333937 6.28309797 -2.53927228 1.05452693 -2.45654811 -0.76614403 4.68199302 -9.11765957 -3.1926329 -58.81536951 1.197E-9 2.676E-9 5.983E-9 1.338E-8 2.9909999999E-8 6.689E-8 1.496E-7 3.345E-7 7.479E-7 0.0000016719999999 0.0000037389999999 0.000008361 0.000018699999999 0.00004181 0.00009348 404001-52-1 23160059 144209828 A A 1-Dodecyl-3-methylimidazolium trifluoromethanesulfonate FC(F)(F)S([O-])(=O)=O.C[n+]1ccn(CCCCCCCCCCCC)c1 Tox21_202630 -NCGC00258812-01 196721509 tox21-ror-cho-viability-p1 set3 -3 70.2670602469 -48.911261571 -4.128762495 -53.040024066 3.9294729863 0.8638762947 0.0014372543 -5.52120261 -5.11145817 -0.57195959 4.9694249 -0.38966298 -1.54908752 -8.45429694 -6.01378056 -8.39428127 -2.83861136 -1.83816979 -6.61853539 -9.956463 -8.75656026 -41.31820005 1.204E-9 2.693E-9 6.021E-9 1.346E-8 3.011E-8 6.732E-8 1.5049999999E-7 3.366E-7 7.527E-7 0.000001683 0.000003763 0.0000084149999999 0.00001882 0.00004208 0.00009408 72-55-9 3035 144208458 A A p,p'-DDE Clc1ccc(cc1)\C(=C(/Cl)Cl)c2ccc(Cl)cc2 Tox21_201260 -NCGC00259001-01 196721104 tox21-ror-cho-viability-p1 set3 4 -6.24530576 -5.80293421 -4.76982448 -0.28441435 -5.88450428 -6.56814552 -5.63409005 -2.78376778 -4.33451909 -0.80590747 -1.94397836 -0.74384101 -4.55319758 -8.02926175 -6.44379377 1.177E-9 2.631E-9 5.884E-9 1.316E-8 2.942E-8 6.578E-8 1.471E-7 3.289E-7 7.355E-7 0.000001645 0.0000036769999999 0.000008223 0.00001839 0.00004111 0.000091939999999 52479-85-3 40399 144208648 A A Exifone Oc2ccc(C(=O)c1cc(O)c(O)c(O)c1)c(O)c2O Tox21_201450 -NCGC00259085-01 196721504 tox21-ror-cho-viability-p1 set3 4 27.8344740659 12.1680306559 -5.1680306559 7 4.0949729863 0.6862925426 0.044805213 -5.29050349 -6.00596346 -9.72335888 -0.43172046 -7.68606388 -2.22694925 -8.33604326 -5.92423113 -5.54113526 -0.94575469 -2.69512843 -6.78946902 -2.24636613 4.15110305 7.71173122 1.1989999999E-9 2.68E-9 5.9929999999E-9 1.34E-8 2.996E-8 6.7E-8 1.4979999999E-7 3.35E-7 7.491E-7 0.000001675 0.000003745 0.000008375 0.00001873 0.00004188 0.000093639999999 688-84-6 12713 144208733 B Fns 2-Ethylhexyl methacrylate O=C(OCC(CCCC)CC)C(=C)C Tox21_201535 -NCGC00259124-01 196721505 tox21-ror-cho-viability-p1 set3 4 0.0020089871 9.1384718761 -18.67183536 -9.5333634839 2.3331733767 0.589588975 0.1215365968 -16.8098628 -14.05110178 -7.97849886 -6.69446957 -9.84507062 -12.02684885 -7.43477707 -9.2136968 -12.7663705 -8.93699009 -9.59768406 -11.19419201 -9.2249403 -7.62593396 -18.98448845 1.1069999999E-9 2.474E-9 5.533E-9 1.237E-8 2.766E-8 6.186E-8 1.383E-7 3.093E-7 6.916E-7 0.0000015459999999 0.000003458 0.000007732 0.00001729 0.000038659999999 0.00008645 107-30-2 7864 144208773 BC Fns Chloromethyl methyl ether COCCl Tox21_201575 -NCGC00259244-01 196721510 tox21-ror-cho-viability-p1 set3 4 48.9036036319 20.354504064 -2.354504064 18 1.92824246 0.7274114109 0.0271269125 -5.63852749 -5.71208672 -2.84967984 5.6563392 -3.14003173 -3.52795253 -4.05199531 -3.18103937 -2.04375528 -1.55397851 -1.92401667 1.52938111 -0.76769759 5.99238631 13.57749836 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.484E-7 3.317E-7 7.4179999999E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.000041469999999 0.000092719999999 7398-69-8 33286 144208893 B A Dimethyldiallylammonium chloride [Cl-].C=CC[N+](C)(C)CC=C Tox21_201695 -NCGC00091009-05 196721514 tox21-ror-cho-viability-p1 set3 4 54.9067494525 -16.0615793 -1.5 -17.5615793 3.0654483358 0.7752768045 0.0130377893 -4.34888465 -3.10531476 -2.67926642 2.81170375 -0.99111749 -1.1357642 -2.56357298 -2.1367317 -2.76499185 0.85362182 -3.04506289 -2.58221462 -0.90949925 -5.71986362 -14.21798275 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00259971-01 196721517 tox21-ror-cho-viability-p1 set3 4 1.1258785199 -10.7787666121 -3.8165448279 -14.59531144 0.8999999999 0.7128290963 0.032807498 -6.06327415 -2.62683128 -2.34712069 -3.3610299 -4.28597067 -5.47619242 -5.35783496 -6.37260827 -9.77300088 -7.15706947 -12.51092201 -14.57569408 -17.10318436 -6.55197958 -17.5794262 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.794E-8 1.519E-7 3.397E-7 7.596E-7 0.0000016979999999 0.000003798 0.000008492 0.000018989999999 0.00004246 0.00009494 98-86-2 7410 144209620 A A Acetophenone CC(=O)c1ccccc1 Tox21_202422 -NCGC00259938-01 196721919 tox21-ror-cho-viability-p1 set3 4 -5.99596487 -5.28685759 -6.42836615 -0.47733963 -6.0466878 -7.46621403 -7.95744993 -4.66577311 -8.36972467 -4.11204575 -6.68585984 -7.12592114 -6.94660583 -3.3913118 -5.30269225 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.365E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.00004117 0.00009206 75-47-8 6374 144209587 A Fns Iodoform IC(I)I Tox21_202389 -NCGC00259857-01 196706370 tox21-ror-cho-viability-p1 set1 4 -1.15963211 0.2597009 0.85536929 0.07838638 -0.59688552 3.02551719 -1.0602473 -6.77144615 4.46294863 9.94888269 -0.95406388 -9.52633637 -3.04899519 4.52905533 6.59680111 1.188E-9 2.657E-9 5.941E-9 1.3279999999E-8 2.971E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016609999999 0.000003713 0.000008303 0.00001857 0.000041509999999 0.000092829999999 117-39-5 5280343 144209506 A A Quercetin Oc1ccc(cc1O)C=3Oc2cc(O)cc(O)c2C(=O)C=3O Tox21_202308 -NCGC00091183-04 196705141 tox21-ror-cho-viability-p1 set1 4 0.03528771 2.41882601 -0.66497301 2.63091541 2.97551902 1.65892768 -1.64562804 -0.47263919 0.38223487 1.55375697 1.41501234 1.49954982 -0.11251314 0.54511291 1.73267634 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118-79-6 1483 170466870 Ac 2,4,6-Tribromophenol Brc1cc(Br)cc(Br)c1O Tox21_111098_1 -NCGC00016328-08 196705546 tox21-ror-cho-viability-p1 set1 4 -1.49196463 0.151387 1.55627032 -1.03557962 -2.08079969 -3.68021672 -0.76231826 0.64231181 -0.90229471 -3.66790394 -2.34502567 -1.47324778 0.01845119 1.32258023 -2.64035278 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83-07-8 2151 170466661 B Ampyrone O=C2C(N)=C(C)N(C)N2c1ccccc1 Tox21_113352_1 -NCGC00091759-02 196706367 tox21-ror-cho-viability-p1 set1 4 61.130564862 -10.6139156919 2 -8.6139156919 2.0437424601 0.4429563222 0.233985975 7.77654541 1.15394015 0.83776292 0.55182499 2.28360499 2.09588778 0.60970282 0.05250827 0.81009455 7.40386768 1.80975626 1.06511857 0.36059805 -0.59813989 -5.51159641 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00258815-01 196706371 tox21-ror-cho-viability-p1 set1 4 49.2003885463 -11.57733944 0 -11.57733944 2.0478617061 0.658909347 0.0600000567 1.62051968 3.73772188 -3.63214653 0.75655841 1.49345454 0.40983985 0.53511676 -0.10879584 0.25017167 -4.15862016 -0.1744813 0.33045396 -1.58441056 -4.88993653 -9.2311162 1.193E-9 2.667E-9 5.964E-9 1.3339999999E-8 2.982E-8 6.668E-8 1.491E-7 3.3339999999E-7 7.455E-7 0.0000016669999999 0.000003728 0.000008335 0.00001864 0.00004168 0.00009319 80-33-1 6635 144208461 A A Chlorfenson Clc1ccc(cc1)S(=O)(=O)Oc2ccc(Cl)cc2 Tox21_201263 -NCGC00258796-01 196706378 tox21-ror-cho-viability-p1 set1 4 -1.29741007 -4.24067482 -6.36923461 -11.95794608 -0.31962462 0.22710801 0.24466868 0.45254014 1.30347479 -18.77896239 -0.02856364 0.64290155 -1.25389746 0.02367478 5.55207351 1.189E-9 2.6589999999E-9 5.945E-9 1.3289999999E-8 2.9719999999E-8 6.646E-8 1.486E-7 3.323E-7 7.4309999999E-7 0.000001662 0.0000037149999999 0.0000083079999999 0.000018579999999 0.00004154 0.000092879999999 5902-51-2 22188 144208442 A A Terbacil O=C1NC(C)=C(Cl)C(=O)N1C(C)(C)C Tox21_201244 -NCGC00258920-01 196706379 tox21-ror-cho-viability-p1 set1 4 0.1209798757 4.9722777239 -2.4722777239 2.5 3.9294729863 0.3618951773 0.3102451448 -1.01976398 -1.40277486 1.4397925 -0.3747177 -11.64356477 -0.78352455 0.55642179 3.33493352 2.31486092 -0.3072416 3.4008953 1.58920675 1.51807242 1.22671505 6.84831097 1.172E-9 2.6199999999E-9 5.858E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.275E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008187 0.00001831 0.000040929999999 0.00009153 133-90-4 8630 144208566 A A Chloramben Clc1cc(C(=O)O)c(Cl)c(N)c1 Tox21_201368 -NCGC00259738-01 196706384 tox21-ror-cho-viability-p1 set1 4 -11.33496312 -4.92604952 -10.91168619 -11.61957803 -10.60295315 -9.9771349 -6.26925898 -6.62996705 -3.90752881 -6.91765663 -13.92139688 -8.77801815 0.18860047 -8.72018702 -9.24505183 1.2069999999E-9 2.6979999999E-9 6.033E-9 1.349E-8 3.017E-8 6.746E-8 1.5079999999E-7 3.373E-7 7.5419999999E-7 0.0000016859999999 0.0000037709999999 0.000008432 0.00001885 0.000042159999999 0.000094269999999 106-65-0 7820 144209387 A F Dimethyl succinate COC(=O)CCC(=O)OC Tox21_202189 -NCGC00244580-01 196706782 tox21-ror-cho-viability-p1 set1 4 61.130564862 -21.362835272 2.5 -18.862835272 2.6384283767 0.6379813961 0.0716689956 -0.13969309 -0.41947426 0.32807055 4.09996635 5.7681503 5.91746454 0.01914238 -0.82295985 3.85812562 10.63886938 1.1669851 -0.1273863 -0.27135505 -2.28488293 -13.63569606 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00258906-01 196706800 tox21-ror-cho-viability-p1 set1 4 -1.54020297 -1.00980206 -2.61302208 -4.57105962 1.69676515 2.52872579 3.34572742 -2.34949689 6.34593558 -11.82115617 -0.55425417 1.21568016 1.28096181 4.14158555 7.31653511 1.2359999999E-9 2.7629999999E-9 6.178E-9 1.381E-8 3.089E-8 6.907E-8 1.545E-7 3.4539999999E-7 7.723E-7 0.000001727 0.000003861 0.000008634 0.000019309999999 0.00004317 0.00009653 126-98-7 31368 144208552 FNS Methacrylonitrile C=C(C)C#N Tox21_201354 -NCGC00257181-01 196708067 tox21-ror-cho-viability-p1 set1 4 5.86083715 0.53176777 4.73006387 0.1838083 0.09795283 1.32722752 0.03739682 3.98267005 0.01269125 2.84731089 -0.00403113 9.21022202 7.50440429 -0.34443551 5.64036895 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 28804-88-8 11317 144213457 Z Fns Dimethylnaphthalene Cc1c2ccccc2ccc1C Tox21_303140 -NCGC00256975-01 196707244 tox21-ror-cho-viability-p1 set1 4 -3.31309791 1.40789723 -13.82840733 -8.11607075 -1.35859516 -0.23119378 -11.44384075 -8.02428051 -9.72570683 -12.05674908 -8.9766703 -6.13347888 -2.32407097 -6.77177642 -2.68076749 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 192-97-2 9128 144213502 A A Benzo(e)pyrene c3ccc2ccc1cccc4c1c2c3c5ccccc45 Tox21_303185 -NCGC00256477-01 196707246 tox21-ror-cho-viability-p1 set1 4 3.7363971 -2.24593117 3.76109995 2.43488975 4.96902734 -1.03160637 3.48934552 0.58779883 -0.45742998 -1.27884271 5.55574391 -1.03940821 -2.32987018 4.08338882 1.05757513 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 615-53-2 12001 144213189 F D N-Nitroso-N-methylurethane CN(N=O)C(=O)OCC Tox21_302872 -NCGC00257873-01 196730262 tox21-ror-cho-viability-p1 set3 4 -0.28060338 -2.45079495 0.27867699 1.29366863 -6.29702976 -1.53098067 -3.04796546 -6.22989605 -0.56074682 -14.85995685 0 0 -6.88239661 -5.94444922 -4.54026422 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.0000016459999999 0.00000368 0.000008228 0.000018399999999 0.000041139999999 0.000091989999999 4938-72-1 21058 144207517 A A Isobutyl (2,4,5-trichlorophenoxy)acetate Clc1cc(OCC(=O)OCC(C)C)c(Cl)cc1Cl Tox21_200319 -NCGC00258556-01 196729846 tox21-ror-cho-viability-p1 set3 4 1.63120025 -0.3842559 7.81086892 1.91313921 1.37469945 1.19288352 1.3390804 1.33301376 0.93839158 8.04090735 0.03649146 1.39445427 10.47262855 -0.73997243 -0.22767703 1.173E-9 2.622E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.3299999999E-7 0.0000016389999999 0.000003665 0.000008195 0.00001832 0.000040969999999 0.00009162 94-70-2 7203 144208201 A A 2-Ethoxyaniline CCOc1ccccc1N Tox21_201003 -NCGC00258225-01 196730251 tox21-ror-cho-viability-p1 set3 -2.2 34.2015225512 -44.2569032955 -5.146151546 -49.4030548415 2.7202212143 0.7649830224 0.0152828952 -5.3306712 -21.18977507 -4.25776762 -2.30741691 -1.37765171 -22.36311178 -4.37557196 -2.7039363 0 -3.47998049 -3.64059185 0 -16.10547038 -30.1260488 -51.46151546 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003673 0.0000082119999999 0.000018359999999 0.00004106 0.000091819999999 4252-78-2 20250 144207869 D 2,2',4'-Trichloroacetophenone O=C(CCl)c1ccc(Cl)cc1Cl Tox21_200671 -NCGC00258000-01 196730254 tox21-ror-cho-viability-p1 set3 4 0.82250524 0.34053693 1.42578186 -1.60133748 0.13312423 0.20387008 0.99095006 0.10093218 0.39466288 2.02521875 0.44464396 -0.50383674 2.95903706 0.84506658 -2.47255753 1.19E-9 2.6619999999E-9 5.9519999999E-9 1.331E-8 2.976E-8 6.654E-8 1.4879999999E-7 3.3269999999E-7 7.44E-7 0.0000016639999999 0.00000372 0.0000083179999999 0.0000186 0.00004159 0.000093 529-34-0 10724 144207644 A A 1,2,3,4-Tetrahydronaphthalen-1-one O=C2CCCc1ccccc12 Tox21_200446 -NCGC00258534-01 196729910 tox21-ror-cho-viability-p1 set3 4 0.7931264701 -13.2293705959 0.5 -12.7293705959 4.4494702849 0.8103820644 0.0063638936 1.17206673 0.17716652 0.14396268 2.46318388 0.16072408 -0.76002864 -2.1744361 1.7931767 -4.86269342 -13.47865461 -10.79587054 -21.85780883 -14.00931947 -9.09717955 -8.10125054 1.21E-9 2.706E-9 6.051E-9 1.353E-8 3.0259999999E-8 6.765E-8 1.5129999999E-7 3.3829999999E-7 7.564E-7 0.000001691 0.000003782 0.000008457 0.00001891 0.00004228 0.00009455 91-58-7 7056 144208179 A Ac 2-Chloronaphthalene Clc1ccc2ccccc2c1 Tox21_200981 -NCGC00090780-04 196729499 tox21-ror-cho-viability-p1 set3 4 5.4482673282 -14.596090944 4 -10.596090944 0.3 0.6891965476 0.0436555264 2.23357668 4.9667653 3.70037617 -0.11692884 -1.12812852 1.18420972 2.14425049 0.80960747 -6.06827643 -0.51876223 -0.89005013 -1.31246482 -5.31553318 -7.16340912 -6.78827599 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00257684-01 196729502 tox21-ror-cho-viability-p1 set3 4 -0.09883354 1.30598424 1.33730862 0.68467493 -0.27763846 0.58772175 0.74932278 1.68895361 1.12563187 -0.10555292 1.99455426 1.97535411 2.02407612 -1.25628463 1.00486371 1.194E-9 2.67E-9 5.9709999999E-9 1.335E-8 2.985E-8 6.676E-8 1.493E-7 3.338E-7 7.464E-7 0.000001669 0.000003732 0.000008345 0.00001866 0.00004172 0.00009329 593-81-7 10313079 144207328 A A N,N-Dimethylmethanamine hydrochloride Cl.CN(C)C Tox21_200130 -NCGC00015060-14 196729908 tox21-ror-cho-viability-p1 set3 4 0.85694045 -0.02667241 -2.30531908 -2.6734037 -0.1192744 -22.06311745 -15.49763303 -2.24525816 -21.57383515 -18.4686496 -21.18884646 0 -9.19574807 0.34764979 -0.00604693 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00256167-01 196700456 tox21-ror-cho-viability-p1 set1 4 4.16423524 2.317836 -0.29204825 5.16401093 3.87781297 4.89082314 0.61605556 0.63840434 1.94975375 2.1627955 1.37461269 0.03493778 2.52188758 1.06258178 0.43580402 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 39711-79-0 62907 144212653 A A N-Ethyl-4-menthane-3-carboxamide CC(C)C1CCC(C)CC1C(=O)NCC Tox21_302336 -NCGC00253998-01 196699613 tox21-ror-cho-viability-p1 set1 4 0.0343762429 -5.15975756 1 -4.15975756 1.826479391 0.3688043719 0.3037397452 0.22399028 2.8089126 0.01550444 0.14442559 -1.00257378 -3.0083268 -4.64622613 -6.74071167 0.08648896 -10.1331313 -3.08991432 0.62542862 -7.03841291 -0.03578897 -8.27180855 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-62-3 7059 144210639 FNS Ac 6-Methylquinoline Cc1ccc2ncccc2c1 Tox21_300320 -NCGC00254268-01 196699616 tox21-ror-cho-viability-p1 set1 4 0.0019331182 7.5794804799 -7.5794804799 0 3.9294729863 0.4878485416 0.1935787203 -6.7329004 -1.83050945 -0.00624833 -0.26836931 1.37293486 -0.17272383 0.86474158 -4.08605355 0.60488171 0.41187536 -3.20273418 1.58237958 0.02146121 0.29161163 3.95822703 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1303-11-3 91500 144210846 Indium arsenide [As]#[In] Tox21_300528 -NCGC00255042-01 196700045 tox21-ror-cho-viability-p1 set1 -2.1 54.8152787309 -94.9896740191 -2.511618586 -97.5012926051 1.331 0.8987599307 0.0003420088 -0.70923858 -3.67525302 -2.70104752 0.4098894 -4.33049464 -4.18877086 1.25157025 -1.09483827 0.09295259 -2.77298659 -8.36876577 -14.39022594 -29.58690992 -23.32559185 -73.86461561 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 131807-57-3 213032 144211461 A A Famoxadone CC2(OC(=O)N(Nc1ccccc1)C2=O)c4ccc(Oc3ccccc3)cc4 Tox21_301144 -NCGC00255357-01 196700457 tox21-ror-cho-viability-p1 set1 4 1.80649651 2.56445593 -1.73011363 0.62596745 3.68094824 -0.13616628 1.56420192 0.84794896 1.84491692 2.33365161 1.3004103 0.68665251 1.20161354 0.27710825 -0.37715931 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1214-39-7 62389 144211624 A A N-Benzyladenine N2=CN=C3N=CNC(NCc1ccccc1)=C23 Tox21_301307 -NCGC00256310-01 196700463 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -24.7705261399 -2 -26.7705261399 4.4494702849 0.7025813247 0.0371391772 -6.33969061 -2.89429885 -6.47073981 -1.66843315 0.62928652 -4.9405899 -0.92381935 0.17696409 -0.0320933 4.31184953 -0.83440616 -4.20416754 0.29503407 -3.46770318 -18.97543845 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67674-36-6 6364671 144212709 F F (2E,6Z)-1,1-diethoxynona-2,6-diene CCOC(/C=C/CC/C=C\CC)OCC Tox21_302392 -NCGC00091663-03 196700857 tox21-ror-cho-viability-p1 set1 4 0.0015355304 9.762832856 -9.762832856 0 4.9549173134 0.4303393877 0.2633951021 -7.71902738 0.35083003 0.87455866 -2.56720594 3.34470616 2.30410429 0.05408928 1.19806578 -3.50388255 0.40775247 -4.2497216 -0.20674389 1.72705779 -2.85650332 -6.04172699 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00254638-01 196699241 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -20.400948204 1 -19.400948204 4.9549173134 0.5641358201 0.1244753666 -0.91144352 2.43140297 0.43218418 -1.05737222 7.22721843 0.86874238 2.3897262 0.32678996 -0.29324859 2.40562152 1.83306035 2.17691745 -9.18393046 2.13780772 -14.50079017 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 330-55-2 9502 144211049 A A Linuron Clc1ccc(NC(=O)N(C)OC)cc1Cl Tox21_300732 -NCGC00254285-01 196698812 tox21-ror-cho-viability-p1 set1 4 -0.32107275 -0.28412937 -4.02954104 0.75532567 2.54949997 0.6141583 4.58025868 -0.23401224 1.10322087 -0.93778595 1.09658847 -0.34463362 -1.31524987 -0.15088341 4.07171349 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 628-63-7 12348 144210678 FNS Pentyl acetate CC(=O)OCCCCC Tox21_300360 -NCGC00163903-03 196699224 tox21-ror-cho-viability-p1 set1 4 7.2725307747 5.8790166159 -0.3790166159 5.5 4.9549173134 0.4264890889 0.2484585156 3.85686775 0.94140355 -3.73680207 -0.05261306 1.79786183 3.78642808 -2.47970321 -5.31584718 0.57457189 -0.88300061 -1.39539016 3.8762557 6.76435574 1.20207109 8.19467958 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00254611-01 196699233 tox21-ror-cho-viability-p1 set1 4 0.80265062 2.64747397 -0.20393301 1.35720859 2.13062747 2.67878118 5.35013712 2.6311065 1.41632161 -0.16186122 -6.67584118 3.53298568 -0.41322803 2.27653127 2.29963456 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 207569-02-6 51346588 144211020 A A 1,5-Naphthalenedisulfonic acid, disodium salt hydrate [Na+].[Na+].O.[O-]S(=O)(=O)c2cccc1c2cccc1S([O-])(=O)=O Tox21_300703 -NCGC00254088-01 196699632 tox21-ror-cho-viability-p1 set1 4 0.0121971512 3.1468549399 -2.1468549399 1 3.9294729863 0.3518538327 0.3259491366 -0.98936403 0.82805754 -7.20571245 0.67721894 0.5972553 0.94948703 0.70668555 1.20802047 1.17875784 -0.39835207 -0.11064006 0.63910318 0.76728917 1.70190779 2.83691619 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-43-3 7986 144210474 A A Dibutyl decanedioate O=C(CCCCCCCCC(=O)OCCCC)OCCCC Tox21_300154 -NCGC00016308-06 196722727 tox21-ror-cho-viability-p1 set3 4 5.3080386368 -8.3037201119 2.5 -5.8037201119 4.9549173134 0.468081485 0.2256802651 -2.68035307 -0.26734587 4.18147227 -3.36741434 0.84569292 4.05932887 5.67188951 6.48403865 3.4902115 6.58895306 2.15450484 1.25340259 -6.91976676 -4.36515091 3.79432543 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7492-32-2 3775 170465291 A Isopropamide CC(C)[N+](C)(CCC(c1ccccc1)(C(N)=O)c2ccccc2)C(C)C Tox21_110362_1 -NCGC00183862-01 196698212 tox21-ror-cho-viability-p1 set1 4 -3.66570011 -1.8860978 1.06663796 -1.85520177 -2.45829363 -1.60657479 -2.79680686 -1.91703759 -1.61933567 1.45981979 -2.5754168 -2.32832857 -0.04508568 -0.25993938 0.01598883 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 75820-08-5 53359 144206867 A C Tolrestat O=C(O)CN(C)C(=S)c2cccc1c2ccc(OC)c1C(F)(F)F Tox21_113316 -NCGC00018249-05 196698227 tox21-ror-cho-viability-p1 set1 4 -1.25108423 -0.11688746 -1.84739042 -2.77609274 -0.82553732 -5.61780487 -0.90065589 -2.48741983 -1.26945645 -2.57517985 -0.82458087 -2.70214751 0.482772 0.01682783 3.80791026 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 452-35-7 3295 170465083 A Ethoxzolamide NS(=O)(=O)c1nc2ccc(cc2s1)OCC Tox21_110848_1 -NCGC00182990-01 196698618 tox21-ror-cho-viability-p1 set1 4 -0.67952791 1.94909273 0.62481716 0.91111831 0.97650561 0.10665178 -0.41556264 -0.45696728 0.46190404 -0.39363084 -1.94520779 1.80939574 -0.77067789 -1.61512878 -0.45014508 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87760-53-0 91273 144206869 A A Tandospirone O=C4N(CCCCN1CCN(CC1)c2ncccn2)C(=O)[C@@H]5[C@H]3CC[C@H](C3)[C@H]45 Tox21_113318 -NCGC00024485-08 196722315 tox21-ror-cho-viability-p1 set3 4 26.6032120037 15.439745532 1.560254468 17 0.5 0.4623277844 0.2138235643 -2.86645461 2.02023842 2.64282963 3.64286356 3.76121969 1.85789444 3.42032867 0.01697512 0.18088959 5.60252658 8.2385512 3.2812614 10.3124833 1.70350475 14.93466492 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 38090-53-8 5310987 170466883 F (E)-4-amino-2-butenoic acid NC\C=C\C(=O)O Tox21_110902_1 -NCGC00253717-01 196722327 tox21-ror-cho-viability-p1 set3 4 13.3331902297 -21.9813827279 0.5 -21.4813827279 1.271561 0.9158565122 0.0001351552 -0.67735736 1.7439299 -0.30399383 1.31111132 0.97504718 3.10627132 0.84333277 0.32430025 -1.92529331 -2.84358396 -2.99950699 -0.65953612 -9.31572166 -11.54850728 -19.56781894 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3943-89-3 77547 170466695 Ac A Ethyl protocatechuate Oc1ccc(cc1O)C(=O)OCC Tox21_113836 -NCGC00015822-15 196722722 tox21-ror-cho-viability-p1 set3 2.2 11.8832183006 49.6104590165 -0.6626315785 48.947827438 0.8999999999 0.9501683476 0.0000082603 2.08443823 -1.05958139 -1.91066495 -1.04914973 0.82224394 -0.74828736 0.36330693 -0.26387818 -1.99909071 3.63038172 9.3811543 16.0141587 21.1705718 23.11562195 43.27536382 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 91-84-9 4992 170464656 A Pyrilamine COc1ccc(cc1)CN(CCN(C)C)c2ccccn2 Tox21_110230_1 -NCGC00164605-02 196722731 tox21-ror-cho-viability-p1 set3 4 33.4914596268 16.3780533679 -1.3780533679 15 4.9549173134 0.5296433725 0.1531782542 1.63785925 1.90765813 -1.3477331 -3.44358121 1.47549636 -1.20703565 1.43290147 1.40548634 1.06588492 -8.18300231 -0.91763328 -0.88776889 -8.23171114 0.42234406 12.22081406 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 99464-64-9 2176 170466020 C Ampiroxicam O=C(OCC)OC(C)OC=2c1ccccc1S(=O)(=O)N(C)C=2C(=O)Nc3ccccn3 Tox21_112227_1 -NCGC00162179-08 196722734 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -83.2102198381 0.7903854289 -82.4198344092 4.9549173134 0.9284660311 0.0000575547 -0.10172802 0.43259852 0.0881436 0.25152233 0.121389 0.14318041 -1.33276068 -0.41747185 -0.6708069 2.66688262 -2.28484879 -4.46847306 -0.54803291 10.78148422 -76.31466149 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53772-82-0 5281881 170465964 A cis-Flupentixol FC(F)(F)c2cc3C(=C\CCN1CCN(CCO)CC1)/c4ccccc4Sc3cc2 Tox21_112003_1 -NCGC00024379-16 196723134 tox21-ror-cho-viability-p1 set3 -1.2 1.0590929458 -34.518464924 -2.959562325 -37.478027249 4.0949729863 0.8169736631 0.0054422311 5.20718932 -2.15148431 -10.79545352 0.40481771 5.44239293 0 -13.8490619 -18.64595639 6.84225964 -13.15165446 -33.31983444 -36.61591959 -32.65832019 -34.41010489 -47.75336361 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 483-18-1 10219 170465705 A Emetine COc4cc5CCN[C@H](C[C@H]1C[C@H]2c3cc(OC)c(OC)cc3CCN2C[C@@H]1CC)c5cc4OC Tox21_110901_1 -NCGC00259771-01 196709322 tox21-ror-cho-viability-p1 set2 4 -4.92194139 0.67536399 -2.91781845 -6.73090978 -4.59826516 -3.74368515 2.10915828 2.37246773 1.84672563 -4.46023984 -5.15206205 -3.84689282 -1.70443822 -1.44893565 -9.87009615 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.4729999999E-7 3.295E-7 7.367E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.000041179999999 0.00009209 77-40-7 66166 144209420 A A Bisphenol B Oc1ccc(cc1)C(C)(CC)c2ccc(O)cc2 Tox21_202222 -NCGC00091650-03 196708454 tox21-ror-cho-viability-p1 set2 -2.4 61.130564862 -36.512840872 4.5 -32.012840872 3.2974983358 0.9228396841 0.0000859906 0.45220559 -0.17810487 5.62508326 5.65094656 4.35030416 3.02952606 4.29188748 4.69038592 2.72359797 6.2313998 6.38168402 8.10877252 3.26819086 -3.0886746 -24.59403406 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00259580-01 196708462 tox21-ror-cho-viability-p1 set2 4 0.0108707225 8.3151574319 -7.8151574319 0.5 0.7999999999 0.8030317551 0.0077259154 -5.28268196 -8.17929786 -3.63483437 -3.43325227 -2.0804085 -0.33204182 -0.51055282 -1.19285324 -0.09589863 -0.2084241 -0.54116719 -0.75930338 2.62262514 -0.12794463 2.27993427 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 41372-08-1 38852 144209229 A A Methyldopa sesquihydrate O.O.O.Oc1ccc(C[C@](C)(N)C(=O)O)cc1O.O=C(O)[C@@](C)(N)Cc1cc(O)c(O)cc1 Tox21_202031 -NCGC00259319-01 196709720 tox21-ror-cho-viability-p1 set2 4 4.38095673 -0.3920345 1.08255865 -0.34684223 0.2248559 1.45752073 5.01909142 1.4525603 2.19939715 0.87171803 6.98319943 5.41380208 4.29780525 7.93953476 2.79494146 1.1919999999E-9 2.6649999999E-9 5.96E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.332E-7 7.45E-7 0.0000016659999999 0.000003725 0.000008329 0.00001862 0.00004164 0.00009312 513-37-1 10555 144208968 FNS 2,2-Dimethylvinyl chloride C/C(C)=C\Cl Tox21_201770 -NCGC00259695-01 196709323 tox21-ror-cho-viability-p1 set2 4 0.1724645649 5.91314918 0.08685082 6 4.9549173134 0.6064552875 0.0933127649 0.7913274 -0.39317092 -1.12575028 -2.01095765 1.79612602 1.30947241 1.70825258 6.80771841 8.68339751 6.73060839 1.51375472 7.00357409 0.60071029 8.17614425 8.28565513 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.952E-8 6.6E-8 1.476E-7 3.3E-7 7.379E-7 0.0000016499999999 0.00000369 0.0000082499999999 0.000018449999999 0.00004125 0.000092239999999 112-59-4 8199 144209344 A A 2-[2-(Hexyloxy)ethoxy]ethanol OCCOCCOCCCCCC Tox21_202146 -NCGC00258922-01 196709723 tox21-ror-cho-viability-p1 set2 4 2.19105994 1.26137133 2.00809796 1.17637453 1.29396653 2.19908308 1.96776279 3.06807045 0.04480161 1.67192412 1.61008002 -0.03626102 -0.05622398 4.61983745 2.15247929 1.1739999999E-9 2.626E-9 5.871E-9 1.3129999999E-8 2.9349999999E-8 6.564E-8 1.468E-7 3.282E-7 7.339E-7 0.000001641 0.000003669 0.000008205 0.00001835 0.00004102 0.00009173 99-97-8 7471 144208568 A B N,N,4-Trimethylaniline Cc1ccc(cc1)N(C)C Tox21_201370 -NCGC00259811-01 196709722 tox21-ror-cho-viability-p1 set2 4 -0.40279686 0.45246597 0.18332432 0.33576868 1.64452314 2.985782 2.29317918 1.30127662 1.93508496 0.62582109 2.61252607 2.44656798 3.55842164 5.12040054 0.75465656 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 96-24-2 7290 144209460 A Ac 3-Chloro-1,2-propanediol OCC(O)CCl Tox21_202262 -NCGC00259724-01 196709726 tox21-ror-cho-viability-p1 set2 -2.4 68.8687250228 -29.966720824 -2 -31.966720824 3.5722481694 0.9140673134 0.0001506064 -4.19790484 1.80906187 0.05558647 -5.1872336 -0.92605381 -1.30597339 0.16548908 -2.83224382 -2.24749999 -2.84092488 -0.98347973 -3.0662931 -1.56885201 -5.91694014 -24.13893402 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.309E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008272 0.0000185 0.00004136 0.00009248 133-18-6 8615 144209373 A A Phenethyl anthranilate Nc2ccccc2C(=O)OCCc1ccccc1 Tox21_202175 -NCGC00259805-01 196709727 tox21-ror-cho-viability-p1 set2 4 -1.61268802 2.17892604 -0.69959183 3.30510909 4.06493405 1.51254352 0.53679117 -1.56671127 3.83872421 -0.76851772 -0.64529776 0.28218685 2.80888577 1.05454006 -0.53922671 1.103E-9 2.467E-9 5.517E-9 1.234E-8 2.7589999999E-8 6.168E-8 1.3789999999E-7 3.084E-7 6.8969999999E-7 0.000001542 0.000003448 0.000007711 0.000017239999999 0.000038549999999 0.000086209999999 558-37-2 11210 144209454 FNS 3,3-Dimethyl-1-butene C=CC(C)(C)C Tox21_202256 -NCGC00015675-08 196709729 tox21-ror-cho-viability-p1 set2 4 0.23697131 0.67950731 0.12377838 -4.87623431 -3.74816227 -3.53664246 1.48348916 0.58730745 -4.34779955 1.0465127 -2.77832367 -1.53618025 -3.59214478 -4.40877883 -0.81905952 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00259760-01 196709736 tox21-ror-cho-viability-p1 set2 4 -1.71488214 0.68898239 -0.12533919 -2.88655994 1.70505934 -0.48319335 -1.37005433 -0.8655755 -1.47228455 6.96685651 -0.5519577 -1.29450137 7.11318279 2.35482817 0.89070675 1.204E-9 2.6909999999E-9 6.018E-9 1.346E-8 3.009E-8 6.728E-8 1.5049999999E-7 3.3639999999E-7 7.523E-7 0.000001682 0.000003761 0.000008411 0.000018809999999 0.000042049999999 0.000094029999999 2050-92-2 16316 144209409 FC N-pentylpentan-1-amine CCCCCNCCCCC Tox21_202211 -NCGC00258907-01 196709739 tox21-ror-cho-viability-p1 set2 4 -1.12037754 -1.3836974 0.63270975 -0.64942987 2.41259222 1.88408434 2.27947167 2.49926326 2.93808456 2.00614588 0.03845475 1.75501572 2.33489771 -1.20996153 -0.70341237 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 54464-57-2 108242 144208553 A F 1-(2,3,8,8-Tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone CC(=O)C2(C)CC1=C(CCCC1(C)C)CC2C Tox21_201355 -NCGC00259311-01 196709740 tox21-ror-cho-viability-p1 set2 -1.1 5.4205760263 -88.8520974925 -0.637523283 -89.4896207755 1.6258976909 0.9901302677 8E-10 -1.9381314 1.68267672 1.72019461 2.59584714 -2.96953204 -4.04536105 -5.09499578 1.04562024 -1.58572478 -12.40370418 -32.75765405 -52.34043205 -84.28607125 -88.77938569 -85.16277687 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.938E-8 6.568E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.000041049999999 0.0000918 548-62-9 11057 144208960 A A Gentian Violet [Cl-].C/[N+](C)=C1\C=C\C(C=C1)=C(/c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C Tox21_201762 -NCGC00260609-01 196724513 tox21-ror-cho-viability-p1 set3 4 0.0149600855 11.763884692 -10.763884692 1 0.8999999999 0.73113285 0.0258025593 -11.46990391 -9.40614834 -4.6416237 -10.8393698 -5.36830284 -1.85875608 1.11936379 -2.97391077 0.67719628 0.91874232 1.59403921 1.05965821 -3.71211271 -0.07456841 6.05609061 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49505 144210262 M M NTP Mix12 AR1 8-EQC Tox21_203064 -NCGC00260043-01 196724529 tox21-ror-cho-viability-p1 set3 4 -1.32779198 4.11704323 0.41627625 2.72722106 7.85529006 -4.95187431 7.66437662 -4.45917492 2.86693655 2.99854809 3.25090411 -6.65770416 3.01760436 -5.44523909 7.99841574 1.172E-9 2.621E-9 5.862E-9 1.311E-8 2.931E-8 6.554E-8 1.465E-7 3.277E-7 7.327E-7 0.0000016379999999 0.000003664 0.000008192 0.00001832 0.00004096 0.00009159 67-66-3 6212 144209692 FNS Chloroform ClC(Cl)Cl Tox21_202494 -NCGC00260410-01 196724531 tox21-ror-cho-viability-p1 set3 4 34.726127359 14.3827330799 -1.3827330799 13 1.372261 0.5697666741 0.1201533098 -6.39900355 1.37407774 -6.9856109 -2.11216407 2.76050335 -4.08311754 5.09353278 -1.79169049 0.45686542 -1.72191428 -1.63598373 2.45870772 2.7549757 5.6112221 11.64276701 1.19E-9 2.6619999999E-9 5.9519999999E-9 1.331E-8 2.976E-8 6.655E-8 1.4879999999E-7 3.3269999999E-7 7.44E-7 0.0000016639999999 0.00000372 0.0000083179999999 0.0000186 0.00004159 0.000093 693-58-3 12742 144210062 F Ac Nonylbromide CCCCCCCCCBr Tox21_202864 -NCGC00260283-01 196724941 tox21-ror-cho-viability-p1 set3 4 0.0004117835 10.758015908 -7.758015908 3 1.8851180601 0.368647432 0.3052762529 -4.79834659 1.00745801 1.17807313 -0.11575725 4.37400356 8.5628089 2.33887888 3.60671343 -2.98788187 1.29009441 3.71293175 2.63151031 2.42430716 4.9282648 1.89871978 2.955E-10 6.6069999999E-10 1.477E-9 3.303E-9 7.387E-9 1.652E-8 3.6929999999E-8 8.258E-8 1.847E-7 4.1289999999E-7 9.233E-7 0.0000020649999999 0.000004617 0.00001032 0.000023079999999 137-40-6 2723816 144209933 A Sodium propionate [Na+].[O-]C(=O)CC Tox21_202735 -NCGC00260659-01 196724944 tox21-ror-cho-viability-p1 set3 4 -4.14370878 0.71245955 3.15182329 1.93677295 -1.14326692 6.13590038 0.30133142 -1.25769653 -0.82551918 0.45353814 -1.1271469 0.11408034 -1.71333987 -2.84795082 -2.9818658 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49555 144210312 M M NTP Mix25 AR2 2-EQP Tox21_203114 -NCGC00260323-01 196724945 tox21-ror-cho-viability-p1 set3 4 0.0469584765 4.277856184 -1.777856184 2.5 4.9549173134 0.3269997426 0.344921576 -6.48154682 -2.4254291 2.49547453 3.82738478 -1.47273504 -2.75162551 -1.37603409 -4.026703 -1.4991717 6.39410766 0.35782029 2.32838638 2.70486737 1.85435524 0.39312587 6.453E-11 1.443E-10 3.227E-10 7.215E-10 1.613E-9 3.6069999999E-9 8.066E-9 1.8039999999E-8 4.033E-8 9.0179999999E-8 2.0169999999E-7 4.509E-7 0.000001008 0.0000022549999999 0.000005041 1633-05-2 15407 144209974 Carbonic acid, strontium salt (1:1) [Sr+2].[O-]C([O-])=O Tox21_202776 -NCGC00181330-02 196725346 tox21-ror-cho-viability-p1 set3 -1.1 0.421632496 -73.8422309895 0.2636761759 -73.5785548136 3.0654483358 0.9201621272 0.0002031385 0.2834352 1.04202271 -0.51094985 2.79018673 -0.77160253 -0.15688805 -3.01955859 -3.41969075 -27.02987173 -71.67671345 -84.57305151 -82.29607427 -79.76422379 -41.33985975 -25.96529203 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 804-36-4 13118 170466778 A Nitrovin O=[N+]([O-])c2ccc(C=C/C(C=Cc1ccc(o1)[N+]([O-])=O)=N\NC(=N)N)o2 Tox21_112791_1 -NCGC00255765-01 196700506 tox21-ror-cho-viability-p1 set1 -1.2 6.8589621897 -37.4569668741 -3.020469904 -40.4774367781 0.9999999999 0.9617509077 0.0000019104 -4.66184236 1.33371747 -5.8621362 -2.35017571 -5.17752528 -3.7083299 0.14297276 -5.38569909 -11.66937285 -6.57670677 -15.90116403 -24.55057576 -30.74693656 -34.02087593 -38.87098157 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135-65-9 67277 144211781 A A 3-Hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide [O-][N+](=O)c1cccc(c1)NC(=O)c2cc3ccccc3cc2O Tox21_301464 -NCGC00090986-03 196700097 tox21-ror-cho-viability-p1 set1 -2.4 61.5037543138 -27.3660418399 -1 -28.3660418399 3.9899729863 0.8109789258 0.0062875985 -0.24324756 -4.34782794 -0.43203711 -2.53211212 -0.37343405 -1.36667315 -2.81951264 -7.52582634 -0.77584903 0.45078284 0.49674357 5.72577703 0.30420753 -6.20296221 -23.6383682 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00255796-01 196700502 tox21-ror-cho-viability-p1 set1 -1.1 2.1689942904 -82.9609077773 -5.238202695 -88.1991104723 1.21 0.9836739344 1.46E-8 -8.42880921 -7.93457858 -2.26169101 -10.88946693 -3.95473518 -1.91623636 -2.89017828 -19.8620018 -21.62642379 -36.81405038 -64.21397316 -68.14223432 -83.59615243 -91.30342699 -84.31414415 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7774-29-0 181518 144211912 Mercury(II) iodide [Hg+2].[I-].[I-] Tox21_301595 -NCGC00255154-01 196700505 tox21-ror-cho-viability-p1 set1 4 0.2145038 0.77347783 -3.78136052 1.27037112 0.78181278 5.94908192 -9.02128236 -3.55921653 -0.05113982 -1.19268999 2.12567583 -1.17433115 0.50696652 3.16203732 -0.30814861 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1745-81-9 15624 144212373 A A 2-Allylphenol Oc1ccccc1CC=C Tox21_302056 -NCGC00091759-02 196700515 tox21-ror-cho-viability-p1 set1 4 3.89138479 0.28508463 1.31154352 1.84605943 3.76876723 -0.70622275 0.03248912 0.52030464 2.52310922 -1.77857416 2.19854604 0.93423712 4.17925157 -1.3275347 4.38770697 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00255202-01 196700923 tox21-ror-cho-viability-p1 set1 4 61.130564862 -19.691123084 0 -19.691123084 1.21 0.6793869365 0.0483337916 -2.41046538 -0.87443627 1.88203401 2.14531725 -3.00909746 -1.59143282 1.76474306 -1.41963954 3.20550539 1.57007556 -1.5368446 -6.03289008 -3.80720412 -3.56561905 -14.74260257 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26049-71-8 93098 144212060 F Fns 2-Hydrazino-4-(4-aminophenyl) thiazole NNc1nc(cs1)c2ccc(N)cc2 Tox21_301743 -NCGC00255901-01 196700927 tox21-ror-cho-viability-p1 set1 4 0.01566885 2.50235378 2.92170828 -0.24558629 0.37268528 -0.36334682 3.33669318 4.05857457 2.3557479 2.75118808 3.31778513 2.5469272 0.2969719 1.43441608 -1.33071228 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 71-91-0 6285 144212455 Ac Tetraethylammonium bromide [Br-].CC[N+](CC)(CC)CC Tox21_302138 -NCGC00091902-08 196701324 tox21-ror-cho-viability-p1 set1 -2.4 76.9588215421 -24.857976756 -2 -26.857976756 4.9549173134 0.7391059248 0.0230170914 0.48134541 -2.47577805 -6.26388952 -3.54128188 -6.15224507 -1.25695035 1.54308882 -2.7203476 1.52720222 -3.24206687 -5.18034333 -2.0080383 1.19591718 1.39348701 -20.71498063 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00256103-01 196701335 tox21-ror-cho-viability-p1 set1 4 -1.69465117 1.12477471 -1.49373942 2.27243939 -2.06753271 -0.42885216 3.18282493 -4.23192515 0.34741608 -1.37497332 -0.13120718 3.87932307 -3.40871244 4.60639796 0.69298977 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-16-7 7043 144212614 A A 1,2-Dimethoxybenzene COc1ccccc1OC Tox21_302297 -NCGC00016612-05 196726257 tox21-ror-cho-viability-p1 set3 4 -5.5549918 -3.35089001 -1.37240837 -1.85530299 -2.93873024 -1.41016702 -2.41768412 0.73145522 -9.53530987 -6.04839014 1.19544279 -2.63058709 -2.00342525 0.19755716 -5.2977981 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2447-57-6 17134 170464751 A Sulfadoxine O=S(=O)(Nc1ncnc(OC)c1OC)c2ccc(N)cc2 Tox21_110523_1 -NCGC00174046-02 196725845 tox21-ror-cho-viability-p1 set3 4 0.0029081026 -6.221847296 6.5 0.278152704 4.9549173134 0.3923591525 0.2806610086 10.65472671 -2.11669688 11.11063007 1.58504553 -0.89610674 0 1.98785141 -2.28379947 -3.51820608 0.24346134 0.29503181 1.81262423 0.93681259 1.68032744 1.31300432 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 55750-06-6 9983292 170466330 A Imidocarb dipropionate CCC(=O)O.CCC(=O)O.O=C(Nc1cc(ccc1)C2=NCCN2)Nc3cccc(c3)C4=NCCN4 Tox21_112415_1 -NCGC00254618-01 196720353 tox21-ror-cho-viability-p1 set3 4 -8.22431601 -8.83436356 -0.20459798 0.81316892 -0.90556881 0.82717038 -4.71363149 -3.18494244 2.64874718 -5.93229283 -2.3924815 -3.96666982 -5.03157918 3.11260624 2.37133527 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7540-51-4 7793 144211028 A A (S)-(-)-beta-Citronellol C\C(C)=C\CC[C@H](C)CCO Tox21_300711 -NCGC00163724-03 196720340 tox21-ror-cho-viability-p1 set3 4 6.91781401 3.0053202 7.38846005 5.16405399 12.34052611 3.1362484 2.57181018 12.13911588 6.12826074 -5.88534589 6.32557716 3.01336188 13.74698606 9.92703898 -3.94882764 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00254332-01 196720346 tox21-ror-cho-viability-p1 set3 4 24.3365162115 26.560247384 -10.560247384 16 0.3 0.6698659856 0.0530212741 -6.60558376 -12.96687282 -9.24037673 -6.31889648 -8.2068796 -12.45974844 -1.78932956 -3.27629824 -0.8115179 -0.32133791 0.44969844 -3.3897735 -0.15534965 -0.72073596 11.44489529 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-24-2 7642 144210917 A F Bis(2-ethylhexyl) nonanedioate O=C(CCCCCCCC(=O)OCC(CC)CCCC)OCC(CCCC)CC Tox21_300600 -NCGC00255033-01 196720350 tox21-ror-cho-viability-p1 set3 4 21.14982397 0.65387974 16.56207077 11.05208402 1.79782298 10.71025017 4.03644693 2.69882093 12.56595773 8.00620725 5.06871038 11.85170757 4.85709493 -0.41761739 3.45862149 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004107 0.00009184 16672-87-0 27982 144211451 A Ac Ethephon ClCCP(=O)(O)O Tox21_301134 -NCGC00254976-01 196720746 tox21-ror-cho-viability-p1 set3 4 -0.00096064 10.98005752 -10.93491214 -7.15847836 1.47095568 0.67772808 -0.30746961 -1.25635251 0.06910278 0.19788459 0.85163878 0.07108314 0.31430691 1.35165962 2.91124639 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 628-87-5 69413 144211392 A Iminodiacetonitrile N#CCNCC#N Tox21_301075 -NCGC00255047-01 196720766 tox21-ror-cho-viability-p1 set3 4 -5.70038947 11.73497406 -4.71290106 -4.5107823 4.216294 11.55801322 -4.36664419 8.56032252 5.89709722 -5.60893677 9.96717679 1.60097518 5.52938004 1.77041127 -2.66544397 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-09-7 2337 144211466 A A Benzocaine Nc1ccc(cc1)C(=O)OCC Tox21_301149 -NCGC00259982-01 196721165 tox21-ror-cho-viability-p1 set3 4 -6.1261482 -1.94315332 -6.47402921 -1.90621352 -5.13756231 -6.72952991 -3.26320029 -3.27650861 -6.82835721 -0.10845702 -6.45643648 -3.12178181 -2.30686662 -5.27471114 -6.79125635 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-54-1 7338 144209631 A A Isoeugenol Oc1ccc(cc1OC)C=CC Tox21_202433 -NCGC00258788-01 196721558 tox21-ror-cho-viability-p1 set3 -1.2 4.8310934687 -49.2852573849 -1.357273395 -50.6425307799 2.3331733767 0.9765842688 1.178E-7 -3.54831233 -2.78384586 -2.89227528 2.88520545 -0.74243649 -4.34304516 -4.66905283 -1.43110475 -0.62708751 1.62184767 -19.60580427 -40.76825767 -44.54563568 -47.98588708 -55.6875285 1.175E-9 2.626E-9 5.873E-9 1.3129999999E-8 2.936E-8 6.566E-8 1.468E-7 3.2829999999E-7 7.341E-7 0.000001641 0.0000036699999999 0.000008207 0.00001835 0.00004104 0.00009176 533-74-4 10788 144208434 A A Dazomet S=C1SCN(C)CN1C Tox21_201236 -NCGC00259042-01 196721566 tox21-ror-cho-viability-p1 set3 4 0.5459350427 7.6219537199 -4.6219537199 3 4.9549173134 0.4601358242 0.2152180427 -4.43994153 -4.56200869 -10.1016281 -5.79837299 -2.3400981 4.94677626 -4.56339967 -9.50562274 3.38788353 6.27372101 3.35470716 3.73291246 -4.44077837 3.41802431 4.2619209 1.182E-9 2.6429999999E-9 5.91E-9 1.322E-8 2.955E-8 6.608E-8 1.4779999999E-7 3.304E-7 7.388E-7 0.0000016519999999 0.0000036939999999 0.0000082599999999 0.000018469999999 0.000041299999999 0.00009235 24468-13-1 62783 144208689 D Carbonochloridic acid, 2-ethylhexyl ester O=C(Cl)OCC(CCCC)CC Tox21_201491 -NCGC00257180-01 196719106 tox21-ror-cho-viability-p1 set2 4 30.6378586933 -8.369825472 2 -6.369825472 2.5334283767 0.619597759 0.0849155859 0.70441173 -0.45062892 -0.46426335 1.89949861 1.22607257 2.85652349 1.64714535 3.61739417 2.31507343 3.35362468 6.82047082 -0.73346175 0.83040872 -3.9936743 -5.72485456 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69806-40-2 50896 144213430 A A Haloxyfop-methyl O=C(OC)C(C)Oc1ccc(cc1)Oc2ncc(cc2Cl)C(F)(F)F Tox21_303113 -NCGC00256349-01 196719100 tox21-ror-cho-viability-p1 set2 4 -7.12430055 -8.03900703 -2.24966373 -6.05393044 -5.14204277 -4.02828866 -0.13753649 1.26763859 -4.88636199 -3.47796947 -1.43326304 0.6828309 -0.58510281 -1.62122459 0.90323097 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-13-1 7855 144213268 FNS Acrylonitrile C=CC#N Tox21_302951 -NCGC00257282-01 196719101 tox21-ror-cho-viability-p1 set2 4 -0.24120209 -1.03213878 -0.60409402 -1.74976436 -1.46095122 -6.94564109 -0.8548084 -1.13322682 -4.78697386 -0.27236792 -6.64910543 -3.29269504 -3.74520069 0.9021533 -2.17272193 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1632-73-1 15406 144213806 A A Fenchol CC12CCC(C1)C(C)(C)C2O Tox21_303498 -NCGC00256362-01 196719102 tox21-ror-cho-viability-p1 set2 4 -3.55777465 1.76835122 -0.59475486 -3.51156461 -6.51793154 -7.3185672 -1.7799182 1.96333822 -4.6043384 -3.44968911 -2.68626161 -0.74524093 -1.17207691 -3.04555355 -1.57562845 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-29-3 6837 144213171 A A Diphenylacetonitrile N#CC(c1ccccc1)c2ccccc2 Tox21_302854 -NCGC00254850-01 196719526 tox21-ror-cho-viability-p1 set3 4 -6.23211722 -10.864212 -5.5588896 -0.40913337 -8.58499267 -2.62237995 0.87731948 1.31621226 -0.64452013 0.67248678 -6.64169431 -6.10933787 -1.47245894 -6.41737847 0.69957186 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-92-5 62341 144211265 A A (+/-)-alpha-Methylbenzyl acetate CC(=O)OC(C)c1ccccc1 Tox21_300948 -NCGC00254683-01 196698807 tox21-ror-cho-viability-p1 set1 4 2.22196106 -0.37371376 -0.13002652 1.18495544 2.96390747 1.58396662 -1.84473602 -0.96080601 2.08151647 1.58251933 -0.82035783 3.28574454 -0.27425018 0.76984484 -1.57521372 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51338-27-3 39985 144211096 A A Diclofop-methyl Clc2cc(Cl)ccc2Oc1ccc(OC(C)C(=O)OC)cc1 Tox21_300779 -NCGC00160410-02 196698396 tox21-ror-cho-viability-p1 set1 4 0.80538094 0.56939664 1.30970948 -0.487919 3.56338313 -0.27050697 1.74970775 -0.98835874 1.31505419 0.00870328 -3.24057113 -0.91771353 -0.03602644 0.5372479 3.72502864 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 547-91-1 11043 170466511 A Loretin O=S(=O)(O)c1cc(I)c(O)c2ncccc12 Tox21_111795_1 -NCGC00254936-01 196698809 tox21-ror-cho-viability-p1 set1 4 -1.47076807 0.16380258 1.81561985 2.90109903 0.28127718 2.03803586 -0.55947026 0.28776152 2.37999042 -0.93516283 3.00031327 1.21218991 4.13685758 3.54974664 0.42390219 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-45-7 2723650 144211351 A Ac Ethylene thiourea S=C1NCCN1 Tox21_301034 -NCGC00247694-01 196722501 tox21-ror-cho-viability-p1 set3 4 7.8110767192 16.6242124799 -4.6242124799 12 4.9549173134 0.5290205738 0.1527380062 -3.81248899 -6.1150049 -5.61045187 0.74531107 -4.0543341 -7.95139096 -7.20260379 -4.73094657 -11.33749615 15.27970546 -15.1035104 9.13558422 11.40792811 11.6725924 11.9189237 1.315E-9 2.941E-9 6.577E-9 1.471E-8 3.288E-8 7.353E-8 1.644E-7 3.677E-7 8.221E-7 0.000001838 0.0000041109999999 0.000009192 0.00002055 0.00004596 0.00010279999999 117332-94-2 60196322 144206397 A A N-[1-[1-Methyl-2-(2-thienyl)ethyl]-4-piperidyl]-N-phenylpropanamide hydrochloride Cl.CCC(=O)N(c1ccccc1)C2CCN(CC2)C(C)Cc3cccs3 Tox21_112844 -NCGC00090986-03 196722094 tox21-ror-cho-viability-p1 set3 -2.4 34.586102705 -28.2618629959 -5.04805414 -33.3099171359 1.6266150999 0.8925245139 0.0004624737 -8.81313152 -6.78487589 -3.99804578 -0.87337845 -10.39999167 -5.96517526 -2.61335216 -5.05832645 -4.12440072 -6.84483495 -3.27923154 -6.38679467 -13.8525777 -20.55433131 -29.00826428 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00179669-04 196722484 tox21-ror-cho-viability-p1 set3 4 23.7101376556 9.6227941879 -0.6227941879 9 4.9549173134 0.4036065068 0.2704567508 -2.42186893 -1.33611957 -2.18389571 1.56933437 -3.41900242 -2.00285409 -0.75622081 2.14277683 0.71132839 5.41599151 2.77260131 0.9264042 -6.35232849 2.79739988 8.44435084 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68-22-4 6230 170464683 F Norethindrone O=C4CC[C@H]3C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@@]1(O)C#C)=C4 Tox21_111322_1 -NCGC00253734-01 196722493 tox21-ror-cho-viability-p1 set3 4 5.9557173066 10.9963255161 1.0036744839 12 0.7 0.356928454 0.3140501544 2.55280218 -0.84279246 2.25854657 3.65052914 2.86968775 -2.38159793 0.40352931 -2.49693793 9.75328704 0.23352441 1.43439832 12.31816802 1.15823597 12.287582 8.16738312 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 137215-12-4 216385 170466179 A A Odiparcil O[C@H]3[C@H](Oc1ccc2C(C)=CC(=O)Oc2c1)SC[C@@H](O)[C@@H]3O Tox21_113853 -NCGC00167963-03 196722505 tox21-ror-cho-viability-p1 set3 4 0.2984929481 -8.1364850199 0.5 -7.6364850199 4.9549173134 0.7629844269 0.0159813728 0.76608757 0.64562216 5.07419426 0.15585812 -1.03789393 -0.70814545 0.27586462 0.43051394 -5.74059751 -8.76961685 -5.05187476 -2.57843995 -10.94707085 -9.42494266 -7.82262359 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3810-80-8 6432394 170465332 A Diphenoxylate hydrochloride Cl.O=C(OCC)C3(CCN(CCC(C#N)(c1ccccc1)c2ccccc2)CC3)c4ccccc4 Tox21_112593_1 -NCGC00091602-02 196722509 tox21-ror-cho-viability-p1 set3 4 0.047965769 9.86753984 -9.86753984 0 4.9549173134 0.5350075819 0.1641711891 -17.8062832 0.79802842 -8.69063948 -13.43509148 -10.4802593 -0.59045373 0 -0.47299495 1.87244541 0.80712747 1.16131713 2.39244941 -6.20948244 -2.53833742 -6.10958006 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00249920-01 196722901 tox21-ror-cho-viability-p1 set3 4 3.20086147 2.97894813 1.00836532 5.79574736 -1.33054302 -2.71269482 3.38311431 1.82319035 -1.23062236 -3.6509527 2.9026546 -0.1988939 -0.11558702 -2.63245001 -2.53415868 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 912-57-2 101905 170465905 F A Nandrolone cyclohexylpropionate O=C5CC[C@H]4C(CC[C@@H]3[C@@H]4CC[C@@]2(C)[C@H]3CC[C@@H]2OC(=O)CCC1CCCCC1)=C5 Tox21_113696 -NCGC00091080-03 196722908 tox21-ror-cho-viability-p1 set3 4 11.4690312269 -14.233328744 1 -13.233328744 1.8851180601 0.8287079993 0.006082725 1.20337451 0.83400235 0.325693 3.82311718 1.12241041 2.72361106 -0.16382507 2.5668456 -1.85602826 -2.3295165 -0.48478347 -0.9080543 -11.44444062 -10.99275187 2.22445233 1.121E-9 2.506E-9 5.6039999999E-9 1.2529999999E-8 2.802E-8 6.265E-8 1.401E-7 3.133E-7 7.005E-7 0.000001566 0.0000035019999999 0.000007831 0.00001751 0.00003916 0.00008756 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00015323-11 196722918 tox21-ror-cho-viability-p1 set3 4 33.4914596268 14.504190952 -0.504190952 14 4.9549173134 0.437542956 0.2368378789 1.42525367 -3.94228515 -4.89199473 -4.2700292 -4.55080953 -0.9403564 7.41475776 -5.00349246 0.5290526 3.73290983 0.65517612 -2.05188926 2.91635668 0.77080754 11.64094164 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 541-22-0 10921 170465349 F Decamethonium bromide [Br-].[Br-].C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C Tox21_112035_1 -NCGC00021268-04 196722312 tox21-ror-cho-viability-p1 set3 4 -0.5792689 -2.18968894 0.91916655 -0.88430403 -4.74841759 -18.908532 -0.62500911 0.27466909 2.35030994 -1.38173688 0.49340558 -5.0854184 -8.11029615 -4.64075826 -18.99651069 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 630-56-8 169870 170465210 A Hydroxyprogesterone caproate CC(=O)[C@@]3(OC(=O)CCCCC)CC[C@H]2[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_113502_1 -NCGC00259657-01 196721922 tox21-ror-cho-viability-p1 set3 4 -5.48815626 -8.35056593 -5.28194643 -1.98444753 -1.17403039 -7.11693829 -7.006256 -6.67551378 -5.47741633 -1.34194992 -5.56119422 -5.90251471 -5.03021497 -2.78416973 -1.83716195 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.000092909999999 92-52-4 7095 144209306 A A Biphenyl c1cc(ccc1)c2ccccc2 Tox21_202108 -NCGC00263524-01 196722310 tox21-ror-cho-viability-p1 set3 4 33.4914596268 17.801180468 1.198819532 19 4.9549173134 0.6509250214 0.0639291849 0.51214341 2.63118025 -2.6736621 -1.29853062 -3.16765039 5.39685711 1.42757852 4.86900873 0.49277282 5.61392687 1.11005058 0.7259401 5.03436106 1.21197399 16.58046737 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 188627-80-7 448812 170465043 A Eptifibatide NC(=O)[C@@H]3CSSCCC(=O)N[C@@H](CCCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2cnc1ccccc12)C(=O)N4CCC[C@H]4C(=O)N3 Tox21_112503_1 -NCGC00091183-04 196722311 tox21-ror-cho-viability-p1 set3 4 26.6032120037 23.294975648 0.705024352 24 3.9899729863 0.6034739882 0.094444312 -0.61175948 5.85302154 -1.75423609 6.14284967 5.45404774 -0.2078482 3.48066066 4.74855341 -2.95838894 3.82484978 -10.24581304 -2.50230552 -2.58844121 7.76145694 21.34394118 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118-79-6 1483 170466870 Ac 2,4,6-Tribromophenol Brc1cc(Br)cc(Br)c1O Tox21_111098_1 -NCGC00256641-01 196719471 tox21-ror-cho-viability-p1 set2 4 -3.35441968 -0.68706335 -1.80648343 -4.08675363 -4.00408487 -5.10879866 2.90798274 -2.9362558 -5.93718894 3.56668237 -3.43494872 -6.10331948 -10.31533239 0.91428389 -6.5780317 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1124-63-6 70763 144213937 A A 3-Cyclohexylpropan-1-ol OCCCC1CCCCC1 Tox21_303632 -NCGC00256798-01 196719040 tox21-ror-cho-viability-p1 set2 4 -1.56769271 -1.37585243 -1.85034189 2.8827973 -0.97027285 3.90773612 0.98881829 5.41127035 3.928881 3.33229674 5.58757665 -0.21902707 2.03024855 0.82557446 2.9614429 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6290-37-5 61384 144212844 A Ac 2-Phenylethyl hexanoate CCCCCC(=O)OCCc1ccccc1 Tox21_302527 -NCGC00091632-02 196719042 tox21-ror-cho-viability-p1 set2 4 27.3060203028 -5.78255438 0 -5.78255438 4.9549173134 0.3509973074 0.3220465521 -0.77235081 -0.76867652 1.18183321 -1.14304821 0.5180922 0.22128002 -1.54900235 0.27595294 -3.57998819 -0.53677471 -0.62733794 8.76285604 -0.25353249 -5.65212865 -5.16614719 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00257363-01 196719052 tox21-ror-cho-viability-p1 set2 4 1.98389186 2.03888167 1.08370174 3.16727879 3.63200319 5.37710647 1.32503052 2.12448958 0.75195867 3.23551878 3.61769652 0.56405051 0.80618155 4.1835118 2.64998956 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13547-70-1 83572 144213735 C 1-Chloro-3,3-dimethyl-butan-2-one CC(C)(C)C(=O)CCl Tox21_303424 -NCGC00256659-01 196719480 tox21-ror-cho-viability-p1 set2 4 2.46063334 0.53925389 1.72668783 2.52213248 3.20349818 -1.47525413 -0.14548722 -1.41864964 -3.15975517 -3.65473274 -5.27791089 -0.35452594 -2.45984176 1.03214123 1.5182849 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.2869999999E-7 7.351E-7 0.0000016439999999 0.0000036749999999 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 140923-17-7 10958189 144213938 A A Iprovalicarb CC(C)[C@H](NC(=O)OC(C)C)C(=O)NC(C)c1ccc(C)cc1 Tox21_303633 -NCGC00257122-01 196719481 tox21-ror-cho-viability-p1 set2 4 -0.07760584 -0.76627724 -1.22913825 0 2.01813509 1.72714579 3.57357469 4.44053115 3.93513077 5.87440975 4.13480798 1.72063165 4.28111487 0.78876244 -0.20460884 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1067-53-4 14025 144213416 F F Tris(2-methoxyethoxy)vinylsilane COCCO[Si](OCCOC)(C=C)OCCOC Tox21_303099 -NCGC00254974-01 196719493 tox21-ror-cho-viability-p1 set3 4 43.2771256911 -19.683866776 4.5 -15.183866776 0.5 0.6317837031 0.0757026319 2.88825632 2.83416538 8.17059528 1.65835197 11.68471311 3.8519845 -0.82994111 0.30855615 1.94361389 2.67321567 -0.34653941 -1.37705685 -3.12635918 -2.73280001 -9.31988898 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142459-58-3 86429 144211390 A A Flufenacet O=C(COc1nnc(s1)C(F)(F)F)N(c2ccc(F)cc2)C(C)C Tox21_301073 -NCGC00255075-01 196719894 tox21-ror-cho-viability-p1 set3 -1.1 5.4482673282 -108.6539637229 2.8999218009 -105.754041922 1.98874246 0.9858893781 6.2E-9 8.28616361 0.97966991 -1.41936073 0.39686837 -0.09220634 7.16743631 10.45391603 -4.69278216 0.86077515 -1.74135723 -36.25580302 -65.54950784 -104.8462264 -105.54295601 -99.47582094 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79622-59-6 91731 144211494 A A Fluazinam [O-][N+](=O)c2cc(c(Cl)c(c2Nc1ncc(cc1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F Tox21_301177 -NCGC00254825-01 196719900 tox21-ror-cho-viability-p1 set3 4 7.02758702 3.91235986 7.42590533 13.9173805 13.96841676 5.7962371 14.10961148 -2.40984048 12.66241691 16.68347911 16.13893395 7.80083474 12.30218641 3.7475353 9.30738951 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141112-29-0 84098 144211240 A Ac Isoxaflutole O=C(c2cnoc2C1CC1)c3ccc(cc3S(C)(=O)=O)C(F)(F)F Tox21_300923 -NCGC00259638-01 196708490 tox21-ror-cho-viability-p1 set2 4 -5.44958503 -4.27929144 0.43942135 -0.53436451 -0.1888977 -2.65918465 0.77257867 -0.05848408 0.73723753 0.1074212 0.71695273 -0.11742288 2.63805871 0.73839222 0.22877039 1.167E-9 2.61E-9 5.836E-9 1.305E-8 2.918E-8 6.525E-8 1.459E-7 3.262E-7 7.295E-7 0.000001631 0.0000036469999999 0.000008156 0.000018239999999 0.00004078 0.00009118 105-87-3 1549026 144209287 A A Geranyl acetate C\C(C)=C\CCC(\C)=C\COC(C)=O Tox21_202089 -NCGC00256354-01 196707644 tox21-ror-cho-viability-p1 set1 4 0.24886672 -0.55112888 -9.80757391 -7.44865632 0.97463639 -13.32363412 -2.29053216 -8.85173775 -9.0117749 -13.03409006 1.71337452 0.02707248 -0.7575321 2.01072556 -0.5566087 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-63-0 7516 144213335 F Fns Phenylhydrazine NNc1ccccc1 Tox21_303018 -NCGC00256788-01 196708071 tox21-ror-cho-viability-p1 set1 4 0.0003661797 -25.26173389 -20.40045544 -9.96424632 -5.22751415 0.66761984 -6.39266491 -0.44733024 0.05015552 2.04332352 -0.48048447 4.85148048 7.38751115 8.60479501 6.61181196 7.34475063 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7779-78-4 62661 144212974 B A 4-Methyl-1-phenyl-2-pentanol OC(Cc1ccccc1)CC(C)C Tox21_302657 -NCGC00258873-01 196708480 tox21-ror-cho-viability-p1 set2 4 4.98880089 0.75212544 -3.37812961 0.47261466 0.55917896 2.10124025 0.25876289 1.00634747 -0.42411106 -0.21095112 1.77628936 -3.42720879 5.42673124 6.28191903 6.49255843 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.3529999999E-7 0.0000016439999999 0.0000036769999999 0.000008221 0.000018379999999 0.00004111 0.00009192 29385-43-1 122499 144208519 FC Tolyltriazole Cc1cccc2nnnc12 Tox21_201321 -NCGC00259251-01 196708888 tox21-ror-cho-viability-p1 set2 4 0.97759109 1.72298135 1.50903331 -0.40759555 1.80107563 0.73251807 0.70463604 1.56423307 4.55484912 -1.38479912 -0.54055535 0.11503467 1.50821592 -0.18408218 2.69907589 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.000018359999999 0.000041049999999 0.000091779999999 150-13-0 978 144208900 A A 4-Aminobenzoic acid OC(=O)c1ccc(N)cc1 Tox21_201702 -NCGC00259578-01 196708893 tox21-ror-cho-viability-p1 set2 4 1.5628058 0.20763053 -0.47479466 0.74630636 0.52274408 -0.37408554 -1.37780994 1.07304631 1.02634342 -0.14183474 0.15487008 0.73536631 1.57997989 2.42742139 1.60654873 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.968E-8 6.6359999999E-8 1.484E-7 3.318E-7 7.4189999999E-7 0.000001659 0.0000037099999999 0.000008295 0.00001855 0.000041479999999 0.00009274 106-25-2 643820 144209227 A A (2Z)-3,7-Dimethylocta-2,6-dien-1-ol C\C(C)=C\CCC(/C)=C\CO Tox21_202029 -NCGC00259842-01 196708895 tox21-ror-cho-viability-p1 set2 4 -0.17054728 0.17642636 3.24829288 4.73010197 0.50468906 4.39258002 1.08626769 2.09970538 -0.79753775 1.64891841 -0.15319769 2.05058337 2.61657827 4.28563873 3.27352186 1.191E-9 2.664E-9 5.9569999999E-9 1.332E-8 2.979E-8 6.66E-8 1.489E-7 3.33E-7 7.446E-7 0.000001665 0.0000037229999999 0.0000083249999999 0.00001862 0.00004163 0.00009308 7790-98-9 24639 144209491 B Ammonium perchlorate [NH4+].[O-]Cl(=O)(=O)=O Tox21_202293 -NCGC00259103-01 196708902 tox21-ror-cho-viability-p1 set2 -2.1 28.0017037318 -81.6576779116 -1.360657682 -83.0183355936 0.6999999999 0.9587787076 0.0000028961 -7.77889676 0.71389834 -4.51871454 -2.83982194 -1.2104464 -0.1306555 -2.07052345 -0.56071369 -3.03217659 -12.23137175 -25.64272235 -21.44772999 -37.6449372 -44.68415421 -62.89267848 1.2049999999E-9 2.694E-9 6.0229999999E-9 1.347E-8 3.012E-8 6.7339999999E-8 1.506E-7 3.367E-7 7.529E-7 0.0000016839999999 0.000003765 0.000008418 0.00001882 0.00004209 0.00009412 97-74-5 7347 144208752 A A Tetramethylthiuram monosulfide CN(C)C(=S)SC(=S)N(C)C Tox21_201554 -NCGC00259750-01 196708907 tox21-ror-cho-viability-p1 set2 4 2.7105816 1.05166784 -0.30806381 -0.23166064 2.27630988 -3.45420309 -0.44651378 -1.97690579 -5.75875314 1.02963133 2.92376231 -3.0838186 -2.40502851 -2.3382843 -1.13855795 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003668 0.000008201 0.00001834 0.000041009999999 0.00009169 7534-94-3 904857 144209399 A Ac Isobornyl methacrylate C=C(C)C(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C Tox21_202201 -NCGC00259863-01 196709305 tox21-ror-cho-viability-p1 set2 4 2.71350749 0.15512496 5.05533972 6.30274851 -0.08971442 -0.60982368 1.10615514 1.13228326 0.66228209 1.91868174 -6.49584351 1.30891036 3.38999624 3.32855945 0.69515657 1.175E-9 2.626E-9 5.873E-9 1.3129999999E-8 2.936E-8 6.566E-8 1.468E-7 3.2829999999E-7 7.341E-7 0.000001642 0.0000036709999999 0.000008208 0.00001835 0.00004104 0.00009176 85-70-1 6819 144209512 A A Butylphthalyl butylglycolate O=C(OCCCC)COC(=O)c1ccccc1C(=O)OCCCC Tox21_202314 -NCGC00259118-01 196709314 tox21-ror-cho-viability-p1 set2 -2.1 42.6617101382 -77.183221703 -7.169248369 -84.352470072 0.7 0.7236716613 0.028269591 -4.7401127 -0.74987571 -27.60305528 -8.22409099 -5.02681722 1.39875863 -4.89214218 -11.84063887 -11.09709601 -27.19813111 -20.28669362 -28.43136845 -30.39613083 -27.70590557 -70.29372506 1.166E-9 2.608E-9 5.831E-9 1.304E-8 2.9149999999E-8 6.5189999999E-8 1.458E-7 3.26E-7 7.288E-7 0.0000016299999999 0.0000036439999999 0.000008149 0.00001822 0.00004074 0.00009111 137-26-8 5455 144208767 A A Thiram CN(C)C(=S)SSC(=S)N(C)C Tox21_201569 -NCGC00259482-01 196706006 tox21-ror-cho-viability-p1 set1 4 16.0291963376 9.708282556 -6.208282556 3.5 4.4494702849 0.3900155332 0.2816794858 -16.00690213 -5.53011767 1.35373188 -10.3750992 -8.44039298 -4.23108782 -6.09473571 -6.67363354 -3.67715009 -2.43287231 -1.38002317 -13.54999101 1.81733779 0.73143426 5.5525806 1.2229999999E-9 2.7349999999E-9 6.115E-9 1.367E-8 3.058E-8 6.837E-8 1.529E-7 3.4189999999E-7 7.6439999999E-7 0.000001709 0.000003822 0.000008547 0.000019109999999 0.000042729999999 0.000095549999999 66-25-1 6184 144209131 D Hexanal CCCCCC=O Tox21_201933 -NCGC00091009-05 196705194 tox21-ror-cho-viability-p1 set1 4 61.6063861515 -17.287178316 0 -17.287178316 4.9549173134 0.7038502289 0.0367127202 3.09617958 -0.18852751 2.16025444 1.85023649 -0.08232484 -0.48644921 -5.19288276 -0.49700023 3.6387043 1.94608079 -0.18133352 -4.40696914 1.03991292 -0.64538006 -14.40598193 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00258483-01 196730341 tox21-ror-cho-viability-p1 set3 4 42.7270298418 -12.52759144 -1 -13.52759144 0.9999999999 0.7369577197 0.024439144 1.10789882 -2.28637297 -1.02363633 -1.30433932 -1.97889959 -1.33118955 -0.97690206 -3.75826229 0.30609672 -2.54628556 -2.46657532 0 -3.6098899 -5.76759672 -9.6063262 7.954E-10 1.779E-9 3.977E-9 8.8929999999E-9 1.989E-8 4.447E-8 9.943E-8 2.223E-7 4.971E-7 0.000001112 0.000002486 0.000005558 0.00001243 0.000027789999999 0.00006214 27994-11-2 6537499 144208127 FNS Cimicifugoside C[C@@H]4CC2(OC(O)C1(C)OC12)OC5C[C@@]6(C)C7=CC[C@H]9[C@](C)(C)C(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)CC[C@]89C[C@@]78CC[C@]6(C)C45 Tox21_200929 -NCGC00254968-01 196699651 tox21-ror-cho-viability-p1 set1 4 0.0038570779 15.438668344 -16.438668344 -1 1.6258976909 0.9082467656 0.0003972209 -17.03222362 -8.28942105 -7.59555295 -2.57098145 -0.55997388 -0.28931314 -0.40906593 0.44857356 -1.71673273 -1.70224285 -2.43136037 -0.934358 -1.11721072 -2.7292303 -12.39758051 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65733-18-8 5282198 144211383 FC (7S)-Hydroprene C\C(C=C/C[C@@H](C)CCCC(C)C)=C/C(=O)OCC Tox21_301066 -NCGC00090986-03 196699636 tox21-ror-cho-viability-p1 set1 -3 61.5037543138 -44.76234014 1 -43.76234014 2.6384283767 0.9848886847 9.4E-9 0.27325674 2.38180243 2.44912221 1.66023194 0.53132537 -0.33336139 0.26851936 -0.61547694 1.18167634 1.90493111 2.93696325 1.04834512 -2.10604601 -9.93572509 -33.13528345 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00254628-01 196699645 tox21-ror-cho-viability-p1 set1 4 4.1697616371 -7.053613244 -1 -8.053613244 0.8999999999 0.3955395163 0.27788442 0.11630753 0.07707997 -2.52761894 -0.26039627 -2.69147372 -0.22401433 -3.03765125 -1.65482501 -2.27986936 -4.10827774 -1.77096133 -2.55610334 -15.46134437 -2.41127319 -7.42183731 1.144E-9 2.5569999999E-9 5.719E-9 1.2789999999E-8 2.859E-8 6.3939999999E-8 1.4299999999E-7 3.197E-7 7.1479999999E-7 0.000001598 0.0000035739999999 0.0000079919999999 0.00001787 0.00003996 0.000089349999999 102851-06-9 91768 144211039 A A tau-Fluvalinate Clc3cc(ccc3N[C@@H](C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C(C)C)C(F)(F)F Tox21_300722 -NCGC00254134-01 196700053 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -54.2713757964 -0.52904562 -54.8004214164 4.9549173134 0.9956138768 0 0.12094487 -0.61487821 -0.12672195 -1.14354068 0.60758206 0.47017514 -0.60786133 -2.08448464 0.07551822 -0.77430543 0.05146307 -0.28456018 -0.67515266 -3.33161739 -44.68287414 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 72-54-8 6294 144210511 A A p,p'-DDD Clc1ccc(cc1)C(C(Cl)Cl)c2ccc(Cl)cc2 Tox21_300191 -NCGC00254122-01 196700056 tox21-ror-cho-viability-p1 set1 4 1.41964098 1.25201942 4.36835564 3.63585544 0.2821547 0.02198796 4.47060431 4.3437814 4.94969129 -2.43245208 -0.21203961 1.18095751 1.74670485 0.39245259 1.56144288 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 822-06-0 13192 144210481 D Fns 1,6-Diisocyanatohexane O=C=N/CCCCCC\N=C=O Tox21_300161 -NCGC00254066-01 196700058 tox21-ror-cho-viability-p1 set1 4 61.130564862 -17.044369076 1 -16.044369076 3.2474983358 0.739192645 0.0231688341 -2.39795151 0.14848753 0.09721778 0.04419613 3.86037077 -3.74320016 2.54222609 2.60163932 2.65049606 3.34672452 0.02520626 0.30624846 0.10777943 -2.46788086 -12.53697423 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2451-62-9 17142 144210439 A B Triglycidyl isocyanurate O=C4N(CC1CO1)C(=O)N(CC2CO2)C(=O)N4CC3CO3 Tox21_300119 -NCGC00260025-01 196724151 tox21-ror-cho-viability-p1 set3 4 0.0106275657 6.3841449919 -5.3841449919 1 4.9549173134 0.44244315 0.2324674914 -3.95597544 0.62932378 -12.40345416 -6.15688214 1.24927585 -2.19747475 1.72945102 1.4266131 1.95846499 1.17890409 2.88295202 -3.77801202 1.72701485 -0.34686341 5.92695709 5.9159999999E-10 1.3229999999E-9 2.958E-9 6.615E-9 1.4789999999E-8 3.307E-8 7.395E-8 1.6539999999E-7 3.698E-7 8.268E-7 0.0000018489999999 0.000004134 0.000009244 0.00002067 0.000046219999999 16323-43-6 85983 144209674 A A 3,3'-(1,4-Phenylene)bis-2-propenoic acid O=C(O)C=Cc1ccc(C=CC(=O)O)cc1 Tox21_202476 -NCGC00181170-02 196723339 tox21-ror-cho-viability-p1 set3 4 -0.65055105 -1.84098254 -1.70062574 -2.0186552 1.48983448 -2.58406063 -0.66751261 2.28457449 3.8440331 5.18186061 10.26866976 -7.69670765 1.53347052 -0.93875405 13.30641264 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16506-27-7 65628 170465340 A Bendamustine ClCCN(CCCl)c1cc2nc(CCCC(=O)O)n(C)c2cc1 Tox21_112771_1 -NCGC00260137-01 196723746 tox21-ror-cho-viability-p1 set3 -1.2 3.4838058974 -50.157607151 -3.345862962 -53.503470113 1.5094870999 0.8775229976 0.0014504456 -0.05436133 -13.85149035 -13.45585588 -2.7455794 0.39485315 -0.68533655 -2.7629778 2.22914048 3.01698917 -12.04365626 -22.93908478 -23.62976729 -50.44164045 -48.53008398 -24.48994736 6.0959999999E-10 1.363E-9 3.048E-9 6.816E-9 1.524E-8 3.408E-8 7.62E-8 1.704E-7 3.81E-7 8.52E-7 0.000001905 0.00000426 0.000009525 0.0000213 0.00004763 14484-64-1 26710 144209787 Ferbam [Fe+3].S=C([S-])N(C)C.CN(C)C([S-])=S.CN(C)C([S-])=S Tox21_202589 -NCGC00260207-01 196723754 tox21-ror-cho-viability-p1 set3 4 0.0027472718 10.055496908 -5.555496908 4.5 0.9999999999 0.4091274517 0.2655545174 -2.96291409 0.36730117 1.66202035 1.16258517 4.38695803 1.92710762 6.48128389 7.59292183 6.74786502 7.97608653 0.9861937 6.72658387 4.56516745 -1.91842653 4.5488889 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.629E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008287 0.00001853 0.000041429999999 0.00009265 216300-12-8 60196380 144209857 FNS 1-Methyl-3-propylimidazolium hexafluorophosphate C[n+]1ccn(CCC)c1.F[P-](F)(F)(F)(F)F Tox21_202659 -NCGC00015925-12 196697998 tox21-ror-cho-viability-p1 set1 4 1.15998128 -0.19069929 7.28165034 1.39564703 6.16991036 -0.49330815 6.46057381 4.3753613 1.26709177 0.77291294 4.06665708 1.2296212 -0.06310611 1.95083009 2.07954839 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 526-08-9 5335 170465185 Ac Sulfaphenazole Nc1ccc(cc1)S(=O)(=O)Nc3ccnn3c2ccccc2 Tox21_110262_1 -NCGC00016344-07 196698002 tox21-ror-cho-viability-p1 set1 4 0.1132867 0.30221462 0.21601851 3.85432271 3.78965888 5.02654028 3.38747345 0.57507087 3.90138604 0.30513163 5.87003071 -0.08977889 -0.52754687 4.99240993 3.33828175 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 89-57-6 4075 170464840 I 5-Aminosalicylic acid OC(=O)c1cc(N)ccc1O Tox21_110384_1 -NCGC00015389-14 196723143 tox21-ror-cho-viability-p1 set3 4 0.2984929481 -19.4556149679 8 -11.4556149679 1.4163171 0.6597673497 0.0583296184 7.59503855 4.45964489 6.39967401 0.53357082 24.33257972 -0.29164623 11.26183184 -3.08579229 -2.2173441 -6.35752771 -10.05731736 -11.83308763 -15.37967914 -14.50797428 -4.31047242 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2078-54-8 4943 170464994 F Propofol CC(C)c1cccc(C(C)C)c1O Tox21_110134_1 -NCGC00167524-02 196723149 tox21-ror-cho-viability-p1 set3 -2.4 37.5780357627 -25.6369309639 -1 -26.6369309639 4.9549173134 0.7122381998 0.0329312032 -0.05664381 0.49481824 -0.2472246 0.38782772 -1.23778676 -0.76382129 -1.20984148 1.35615487 -12.02824412 -1.81870978 -0.83296698 2.00520362 -2.69783817 1.18286428 -22.19744247 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 78613-35-1 54260 170466078 A Amorolfine hydrochloride C[C@H]2CN(CC(C)Cc1ccc(cc1)C(C)(C)CC)C[C@@H](C)O2 Tox21_112521_1 -NCGC00253759-01 196723152 tox21-ror-cho-viability-p1 set3 4 0.5955717307 -6.5662390439 -1 -7.5662390439 4.9549173134 0.4420873426 0.2496670444 -1.15872777 -4.66095261 -1.05514082 0.42965792 -1.07368741 -3.97058247 1.40107806 -0.6019974 -0.77580822 -6.30002688 -16.72186587 -6.82629972 -1.0709511 -6.62467152 4.53929275 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 787-93-9 13086 170466362 A F Ameltolide O=C(Nc1c(C)cccc1C)c2ccc(N)cc2 Tox21_113872 -NCGC00017280-23 196723553 tox21-ror-cho-viability-p1 set3 4 0.03409663 1.65570251 -0.84355944 -2.57984711 0.88681687 -3.13903231 0.37886606 -0.45064178 -3.79596192 -1.6874256 -1.2740863 -6.44640146 -5.7289107 -3.51012971 7.28173022 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 302-79-4 444795 170465045 B all-trans-Retinoic acid CC=1CCCC(C)(C)C=1/C=CC(\C)=C\C=C\C(\C)=C\C(=O)O Tox21_110812_1 -NCGC00091532-04 196720328 tox21-ror-cho-viability-p1 set3 -2.4 27.6395842712 -24.255358604 -4 -28.255358604 4.9549173134 0.757687271 0.01725581 -9.33499968 -14.74563304 -3.73740412 -3.73054509 -6.15891256 -6.56948468 0.6625579 -1.4156093 -2.37572008 0.67067638 -3.37227032 2.9731433 -3.86942645 -29.79613217 -25.02273677 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00254471-01 196720312 tox21-ror-cho-viability-p1 set3 -1.1 12.1971512362 -122.9056183859 6.6852604791 -116.2203579068 2.4063783767 0.9329052531 0.0000409968 6.87567743 3.83448064 5.78343987 -5.08370403 10.96548894 1.58247076 14.53328638 -0.91332698 1.93165626 7.57899775 8.10256081 0.63503845 -105.95262201 -107.01690415 -100.95870105 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 484-17-3 10229 144210935 C C 9-Phenanthrol Oc2cc3ccccc3c1ccccc12 Tox21_300618 -NCGC00254216-01 196720317 tox21-ror-cho-viability-p1 set3 1.4 0.0544826733 16.623259912 3.376740088 20 1.0999999999 0.7641285656 0.0205640021 6.9322401 1.70562366 11.22034042 -0.51938326 9.30880179 13.15470015 13.41492707 24.73285945 20.35639385 19.58794336 18.54023443 18.15930689 18.02905717 19.05132661 6.55299383 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-05-2 126941 144210589 A B Methotrexate O=C(O)[C@H](CCC(=O)O)NC(=O)c1ccc(cc1)N(C)Cc2nc3c(nc2)nc(N)nc3N Tox21_300269 -NCGC00253991-01 196720322 tox21-ror-cho-viability-p1 set3 -2.4 38.5707788719 -21.512407088 -2 -23.512407088 1.8616924601 0.7360225127 0.0240044577 -6.40430753 -9.62553002 -2.88688865 0.33657821 -4.78401005 -2.73006128 1.46206945 1.43156923 0.08717861 0.19689663 1.8478006 -3.84585894 -8.41997069 -12.16504721 -21.26033924 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47328 53316396 144210544 A A MK-274 [K+].O.FC(F)(F)C(F)(F)COc3ccc(F)cc3c1cccc(c1)c2nc([n-]n2)C(N)=O Tox21_300224 -NCGC00163953-03 196720724 tox21-ror-cho-viability-p1 set3 -3 72.7253077472 -60.5809491489 5 -55.5809491489 4.9549173134 0.7956811641 0.0086762545 13.15849758 10.56765232 7.74020023 -1.15318995 1.95436516 2.37801867 -6.89558034 7.33059319 -0.57707446 12.28864558 -4.36423209 12.57532184 10.42287854 0.4796468 -43.66546107 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00254876-01 196720726 tox21-ror-cho-viability-p1 set3 4 -3.17795625 -7.667271 0.46351922 1.37069581 -1.14626305 -1.57577307 2.10401035 2.17423877 -6.62093483 0.31925847 -1.99771837 -3.51942917 -2.00395982 -2.71919426 -3.71016799 1.1379999999E-9 2.546E-9 5.692E-9 1.2729999999E-8 2.8459999999E-8 6.3639999999E-8 1.423E-7 3.182E-7 7.115E-7 0.0000015909999999 0.0000035579999999 0.000007955 0.000017789999999 0.00003978 0.00008894 122-70-3 31225 144211291 A A 2-Phenylethyl propionate CCC(=O)OCCc1ccccc1 Tox21_300974 -NCGC00164127-03 196709742 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -71.1021133188 1.4085238434 -69.6935894754 4.9549173134 0.9892796997 1.2E-9 0.42304357 0.6370242 0.54031348 5.32667434 1.36877075 0.38664535 3.83108157 -0.40782086 0.3271573 0.93791986 0.1285564 2.88995934 1.28805972 -3.12744202 -56.50284879 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00255170-01 196710139 tox21-ror-cho-viability-p1 set2 4 -6.12484936 -0.3368056 -2.74076178 -0.62711141 0.50235499 -5.1306709 -6.11655662 -6.08454069 0.56368477 1.26518878 -0.9786041 -3.18833137 0.00506346 -3.42690892 0.94161739 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 75-50-3 1146 144212672 Trimethylamine CN(C)C Tox21_302355 -NCGC00257389-01 196707266 tox21-ror-cho-viability-p1 set1 -2.1 54.4826732819 -76.8245008078 -0.243442219 -77.0679430268 2.7867712143 0.9647024 0.0000012167 -0.30364028 0.375462 1.24384115 0.0759869 2.73345484 2.32700636 -1.04824626 -4.05063605 -8.73479863 1.52848225 2.01085531 4.8829502 -5.05643747 -24.81568177 -62.55147199 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_48505 9884915 144213825 A A PharmaGSID_48505 [O-][N+](=O)c1cc2C(=Nc3c(Nc2cc1)nnc3C)c4ccccc4Cl Tox21_303517 -NCGC00259383-01 196706856 tox21-ror-cho-viability-p1 set1 4 4.92054188 1.20465777 4.90504015 0.33195546 4.32039852 4.75586165 -1.0453859 0.25445132 3.57544292 14.52351644 0.40892419 6.32296327 5.643987 -0.51561286 -0.40710231 1.195E-9 2.671E-9 5.973E-9 1.336E-8 2.986E-8 6.678E-8 1.493E-7 3.3389999999E-7 7.466E-7 0.000001669 0.000003733 0.000008347 0.00001867 0.00004174 0.000093329999999 58-14-0 4993 144209032 A A Pyrimethamine CCc1nc(N)nc(N)c1c2ccc(Cl)cc2 Tox21_201834 -NCGC00257168-01 196707252 tox21-ror-cho-viability-p1 set1 4 7.0946757 2.62970335 0.49300153 2.07625216 1.05134289 1.99096165 1.1634039 7.6278903 6.00342299 4.74419281 4.9806482 4.35919924 2.14119798 0.59417708 1.02179114 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-92-6 8497 144213567 A A 3-Nitrobenzoic acid O=[N+]([O-])c1cc(ccc1)C(=O)O Tox21_303250 -NCGC00256314-01 196707256 tox21-ror-cho-viability-p1 set1 4 -0.66933763 -5.4951616 -5.1023303 -0.916201 -1.04514034 -3.37160069 -4.66598767 -0.77583362 0.19802209 0.94574345 2.2956675 -1.30893911 -4.59122297 -4.11964525 -2.05582174 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 123-76-2 11579 144213046 A A 4-Oxopentanoic acid CC(=O)CCC(=O)O Tox21_302729 -NCGC00257149-01 196707668 tox21-ror-cho-viability-p1 set1 4 0.04953106 1.62467388 0.68454013 -1.44675942 0.96504144 1.25053982 1.18801602 4.08789201 5.54235298 -1.42326648 0.78118499 2.32328733 3.14119334 2.49760552 4.91406438 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1703-58-8 15560 144213553 A Ac 1,2,3,4-Butanetetracarboxylic acid OC(=O)CC(C(CC(=O)O)C(=O)O)C(=O)O Tox21_303236 -NCGC00256784-01 196707673 tox21-ror-cho-viability-p1 set1 4 76.9588215421 13.805311172 1.194688828 15 4.9549173134 0.7095056364 0.0348403649 3.18545158 1.97095152 -1.08775931 1.24728146 -0.34063726 2.58852778 1.49142378 4.01466804 -0.34462584 1.41669036 -0.53467087 3.85923267 1.61366383 0.66851656 11.16497721 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 3188-00-9 18522 144212917 F 2-Methyldihydrofuran-3(2H)-one CC1OCCC1=O Tox21_302600 -NCGC00255675-01 196707675 tox21-ror-cho-viability-p1 set1 4 2.41785081 -10.05221819 1.47912549 1.51146217 0.06350043 2.33506904 0.19199598 0.38050085 4.90510933 0.12746636 2.81223374 0.59751276 -1.32921673 3.12695856 0.17050328 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33228-44-3 93162 144212016 A A 4-Pentylaniline Nc1ccc(CCCCC)cc1 Tox21_301699 -NCGC00256957-01 196707677 tox21-ror-cho-viability-p1 set1 4 43.2771256911 -10.643523884 1.5 -9.143523884 3.5117481694 0.5171920264 0.1646851817 2.4817776 -0.40691825 2.00167045 0.13219677 0.40792525 2.02753135 2.19498657 -3.15524546 3.0214764 4.60271703 -4.46932823 4.25447684 4.45945926 -3.79811907 -8.45293657 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 3622-84-2 19241 144213501 A A N-Butylbenzenesulfonamide O=S(=O)(NCCCC)c1ccccc1 Tox21_303184 -NCGC00091426-02 196707685 tox21-ror-cho-viability-p1 set1 4 2.03756361 -10.24840477 -11.6731039 -1.45345111 -1.09144088 2.02978037 -1.46402331 0.4188439 3.76006203 -0.12172851 -12.87792446 2.55538999 3.27057728 -2.09287215 0.13478471 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00256803-01 196708086 tox21-ror-cho-viability-p1 set1 4 1.41899107 3.07232455 5.06124549 2.32384489 0.1086647 1.0601092 9.47481973 -1.72143188 2.68813896 2.27258693 11.10354945 4.30061076 0.24351411 1.76419078 2.04382351 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 607-88-5 69091 144212933 A A Salicylic acid p-tolyl ester Oc2ccccc2C(=O)Oc1ccc(C)cc1 Tox21_302616 -NCGC00257481-01 196708088 tox21-ror-cho-viability-p1 set1 4 34.3762428541 9.1128400759 -4.1128400759 5 1.287561 0.6306966898 0.0776076929 -2.29090521 -5.70678235 -4.89826115 -3.28281662 -3.02127645 -8.42736673 -3.78819395 -1.2389775 -6.62727915 -3.1516643 -3.41733638 -2.47207782 -0.89220375 -0.27151673 4.33552518 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-40-3 8182 144213920 F Fns Dodecane CCCCCCCCCCCC Tox21_303615 -NCGC00257242-01 196719245 tox21-ror-cho-viability-p1 set2 1.2 13.6019669824 50.758681964 -2.839977811 47.918704153 3.5117481694 0.9433061765 0.0000384923 -3.41566949 -1.05945066 0.4517291 -1.21873433 -1.11346673 -9.64207485 -1.24629566 -3.24588803 0.38797924 -0.18654056 -4.85964964 -4.53571826 39.46752526 44.96816533 -27.38183309 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 55-56-1 9552079 144213755 F A Chlorhexidine Clc2ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)cc2 Tox21_303445 -NCGC00257006-01 196719238 tox21-ror-cho-viability-p1 set2 4 2.09100552 -0.98789606 -1.73643522 -4.11078858 -9.26606223 0.8259065 -1.27427696 1.67866288 -6.28742199 -11.86493062 -2.84895848 -1.04438845 -0.81642115 -2.1328717 1.54437515 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 947-04-6 13690 144213396 A A Azacyclotridecan-2-one O=C1CCCCCCCCCCCN1 Tox21_303079 -NCGC00244580-01 196719659 tox21-ror-cho-viability-p1 set3 4 2.7306020303 -6.644632772 6 -0.644632772 4.9549173134 0.4715712604 0.2051818434 6.86164897 6.58989003 8.56925155 7.63748352 3.45920409 0.87220144 10.85806463 0.5410566 4.3023559 11.14795057 -2.62052731 0.99004278 0.45341169 0.89935725 -2.28632625 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00254700-01 196719662 tox21-ror-cho-viability-p1 set3 4 6.58949884 4.44691232 10.90836208 5.72652391 3.46901604 2.08769203 7.48001833 8.98799904 5.26716368 3.97895172 6.22986129 6.52967219 3.6582627 4.35505068 5.36235526 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81335-37-7 54739 144211113 A A Imazaquin CC1(N=C(NC1=O)c2nc3ccccc3cc2C(=O)O)C(C)C Tox21_300796 -NCGC00254085-01 196719663 tox21-ror-cho-viability-p1 set3 4 8.66857848 7.10859023 2.25072165 13.32090598 9.11528125 -4.13731305 0.09375229 -0.49251295 3.47021013 12.10645591 4.74905076 4.3431893 -0.04100823 3.34428768 2.5665944 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-15-2 7127 144210391 A A Methyleugenol COc1cc(ccc1OC)CC=C Tox21_300071 -NCGC00254580-01 196719664 tox21-ror-cho-viability-p1 set3 -1.1 9.6885416101 -74.166796638 -4.474168966 -78.640965604 3.1319983358 0.9683525023 6.567E-7 -10.22733637 -14.34766963 -5.39279878 -2.64854469 -8.70744396 -9.90676738 0.68191946 -1.019371 -0.84051122 0.16475085 -2.10236431 -28.75273854 -76.97865972 -79.0597702 -72.75653152 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 941-69-5 13662 144210989 A Fc 1-Phenyl-1H-pyrrole-2,5-dione O=C2C=CC(=O)N2c1ccccc1 Tox21_300672 -NCGC00016000-13 196719675 tox21-ror-cho-viability-p1 set3 -2.3 12.4829937451 -86.20772624 -4.5841415079 -90.7918677479 0.6 0.9346715488 0.0901252775 -7.69336311 -11.66623506 0.18152529 -3.68875514 -1.31032445 -3.12017477 -6.06885454 -26.57709871 -17.01402656 -29.89275893 -31.75578249 -38.08731971 -50.50133766 -17.25864549 -75.65988979 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00258248-01 196715503 tox21-ror-cho-viability-p1 set2 4 -2.76033018 -4.98726995 -4.40746175 0.00731401 0.58539527 -0.0803176 -0.36671857 0.21819539 -1.94139293 -2.91122565 -0.84801779 0.89370868 -1.52841302 0.87442167 -0.28292281 1.1779999999E-9 2.633E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.00000368 0.00000823 0.000018399999999 0.00004115 0.00009201 923-26-2 13539 144207892 D 2-Hydroxypropyl 2-methylacrylate CC(=C)C(=O)OCC(C)O Tox21_200694 -NCGC00163953-03 196715097 tox21-ror-cho-viability-p1 set2 -2.4 72.7253077472 -36.668029524 -0.5 -37.168029524 4.5044702849 0.9885440087 1.9E-9 -0.47187971 -0.62137751 -1.15246886 0.20780298 -0.03835427 0.30955522 0.38262966 -1.03747451 0.71541802 0.04329645 -0.93615051 0.95008991 -2.03976884 -3.95622139 -29.30669127 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00254001-01 196715101 tox21-ror-cho-viability-p1 set2 4 76.9588215421 13.8967131839 -4.8967131839 9 4.9549173134 0.5373314035 0.1473156133 -5.94254542 -10.33059432 -1.94017214 -4.21467473 -0.56794005 -8.28078129 -5.85543687 -5.7306171 -0.889768 -4.13217922 -6.44152104 -4.97768232 -4.36387098 -6.0378952 5.98614252 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1120-21-4 14257 144210396 FNS Undecane CCCCCCCCCCC Tox21_300076 -NCGC00357185-01 196724308 tox21-ror-cho-viability-p1 set3 4 -6.17095178 0.67043435 -0.8061081 2.19673081 -3.18937299 -6.1788566 -5.1128522 -4.74311836 -5.46723586 -2.38066244 -5.77461341 -13.07965231 -3.92611306 -2.08751673 4.11121278 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 626-39-1 12279 251919928 Ac 1,3,5-Tribromobenzene Brc1cc(Br)cc(Br)c1 Tox21_303951 -NCGC00260218-01 196724316 tox21-ror-cho-viability-p1 set3 4 -0.41696969 -1.14747387 3.42101866 -4.73805017 6.12513668 4.23313071 -1.83398544 1.28931916 -0.31424726 0.07800259 -0.53446826 3.54236393 2.38684472 3.87607486 5.84640833 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.365E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.00004117 0.00009206 NOCAS_49386 60196386 144209868 A Fc 1-Methyl-1-propylpiperidinium hexafluorophosphate CCC[N+]1(C)CCCCC1.F[P-](F)(F)(F)(F)F Tox21_202670 -NCGC00357120-01 196724329 tox21-ror-cho-viability-p1 set3 4 1.31480772 0.44414693 -7.11789803 9.39126947 -5.86475484 -17.64560606 -5.75678936 -4.12948018 -5.27807979 -4.07759335 -2.60236738 -5.88681009 -6.40094774 -6.17544501 6.33900326 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-75-8 8074 251919851 2-Chloroethyl vinyl ether C=COCCCl Tox21_303853 -NCGC00260421-01 196724729 tox21-ror-cho-viability-p1 set3 4 0.868763621 14.898766484 -3.398766484 11.5 0.9999999999 0.7341143559 0.0246221741 5.25903379 -9.00372371 -1.18440494 -9.49897207 -5.82280083 0.74898757 0.12950103 1.69112694 1.06733262 5.8082204 9.42436638 12.46406333 9.3436467 8.74413382 13.20259783 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.6299999999E-8 1.4829999999E-7 3.315E-7 7.4129999999E-7 0.0000016579999999 0.0000037059999999 0.000008288 0.00001853 0.000041439999999 0.00009266 89-02-1 2724588 144210073 A A 2,4-dinitro Benzenesulfonic acid dihydrate O.O.OS(=O)(=O)c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O Tox21_202875 -NCGC00257695-01 196724740 tox21-ror-cho-viability-p1 set3 4 -4.985176 -2.94304997 3.05222168 -3.43567634 -1.20568665 0.36428513 -4.85562183 -11.54451725 -1.87410967 -2.78113061 0.76849937 -8.32317067 2.33737299 -4.38640526 6.83817111 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.9479999999E-8 6.591E-8 1.474E-7 3.296E-7 7.369E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 71-58-9 6279 144207339 A A Medroxyprogesterone acetate CC(=O)[C@@]3(OC(C)=O)CC[C@H]2[C@@H]4C[C@H](C)C1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_200141 -NCGC00021301-06 196725225 tox21-ror-cho-viability-p1 set3 4 -1.92764213 -2.56323634 -3.9357677 -1.78242594 -5.69335543 -2.07527307 -5.32615864 -6.48627415 3.1132616 1.22810796 -6.2077085 -0.05269015 -6.45188422 -5.42956318 -2.77163657 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67-73-2 6215 170464630 A Fluocinolone acetonide OCC(=O)[C@]45OC(C)(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3C[C@H](F)C1=CC(=O)C=C[C@@]12C Tox21_110869_1 -NCGC00244580-01 196724804 tox21-ror-cho-viability-p1 set3 4 0.0013685429 11.109724076 -8.109724076 3 0.6 0.3508146638 0.3382284951 -5.09143673 2.54885873 -1.00922949 -0.26199919 1.73824561 -1.68548624 4.18523951 4.86859267 2.19520161 5.44972811 -0.08791294 7.48516846 0.73528815 1.17523302 -4.59166752 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00260330-01 196724815 tox21-ror-cho-viability-p1 set3 4 0.3131857875 9.9532482199 -4.4532482199 5.5 2.7202212143 0.7197099336 0.0301051416 -5.43435314 -5.23555087 -5.05326359 1.45302266 -1.82591887 -6.21023131 -7.87770685 -3.8315077 -5.99411337 -2.74620957 -2.67723526 1.93615573 7.43308839 1.47036462 6.78596992 6.14E-11 1.373E-10 3.0699999999E-10 6.865E-10 1.5349999999E-9 3.4329999999E-9 7.6759999999E-9 1.716E-8 3.838E-8 8.5819999999E-8 1.919E-7 4.2909999999E-7 9.594E-7 0.000002145 0.0000047969999999 645-05-6 2123 144209982 A A Hexamethylmelamine CN(C)c1nc(nc(n1)N(C)C)N(C)C Tox21_202784 -NCGC00166144-03 196725214 tox21-ror-cho-viability-p1 set3 4 0 0 4.5992084 5.97185214 -19.03820095 7.73184783 -14.80340684 -11.49441388 4.98039256 -14.48192042 8.00978336 -16.09370993 7.57324349 7.79304865 8.33006013 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 502-54-5 3033877 170465212 Ac 2,3-Dihydroxypropyl octanoate OCC(O)COC(=O)CCCCCCC Tox21_112338_1 -NCGC00165846-04 196725632 tox21-ror-cho-viability-p1 set3 4 0.0026603212 -13.934296756 9 -4.934296756 0.3 0.6848329311 0.0559330481 6.35390308 3.00779899 0.29903109 -0.98563269 -0.61442543 -0.73492946 -0.55496226 -0.40443938 -2.08499186 -3.87701771 -0.57030836 -1.18678184 -7.02858063 -5.52428819 0.30634603 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82752-99-6 54911 170465078 A Nefazodone hydrochloride Cl.Clc1cccc(c1)N4CCN(CCCN3N=C(CC)N(CCOc2ccccc2)C3=O)CC4 Tox21_111735_1 -NCGC00023643-15 196725233 tox21-ror-cho-viability-p1 set3 4 0.08706632 -2.56980386 -0.42187131 0.36389983 -0.02992708 -1.97825978 -3.11185896 -3.39739545 -3.65684618 -5.51869852 -3.93358592 -0.83146811 -2.85356494 -4.82779873 -4.2289481 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53-16-7 5870 170465020 A Estrone Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)C(=O)CC[C@@H]12)c4cc3 Tox21_113567_1 -NCGC00274061-01 196725630 tox21-ror-cho-viability-p1 set3 4 0.0149600855 12.5470633961 0.9529366039 13.5 1.9673362061 0.5916712391 0.1029712542 3.01145745 -2.12255283 4.87252457 0 5.22198221 13.68449688 20.45401645 17.4255081 11.77289448 11.66052401 9.92244377 16.31478745 4.54149718 9.6096148 20.7769567 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13647-35-3 656583 170465836 A Trilostane N#CC=2C[C@]4(C)[C@H]5CC[C@]1(C)[C@@H](O)CC[C@H]1[C@@H]5CC[C@@]34O[C@@H]3C=2O Tox21_112454_1 -NCGC00179658-04 196725631 tox21-ror-cho-viability-p1 set3 4 0 0 1.80511157 4.78352754 -12.89594273 6.58986308 -14.85396068 -8.32211548 6.20819102 -16.09010232 5.51257753 -15.33660464 7.85804633 6.89213945 -3.41701278 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 152-72-7 54676537 170465636 A Acenocoumarol [O-][N+](=O)c1ccc(cc1)C(CC(C)=O)C2=C(O)c3ccccc3OC2=O Tox21_110430_1 -NCGC00090885-03 196725634 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -16.776467412 2.5 -14.276467412 4.9549173134 0.3784629127 0.2931583335 7.0111779 8.16385788 2.24580475 -1.25336063 -3.58963986 -2.09979699 -1.14463437 0.52009316 1.30745598 3.19473216 1.08861409 1.1198085 10.47586352 6.39939034 -10.23038951 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00016329-07 196725642 tox21-ror-cho-viability-p1 set3 4 -1.6213093 -2.33063307 -1.4044467 4.05528862 -0.47952898 0.6229715 0.5140762 -3.34328939 -2.08501542 -3.82063997 -1.58817332 -3.39379178 -0.16985712 4.27482849 -3.0014557 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83-12-5 4760 170465130 F Phenindione O=C2c1ccccc1C(=O)C2c3ccccc3 Tox21_110375_1 -NCGC00344533-01 196725646 tox21-ror-cho-viability-p1 set3 4 3.72264786 4.504071 5.21215755 1.16596306 -2.38544624 -1.88361349 0.05376718 -0.52788987 0.65329217 11.10901913 10.32727315 -2.02604692 0.5085463 -3.76950883 5.50649624 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2490-97-3 25561 170465810 A Nalpha-Acetyl-L-glutamine O=C(C)NC(CCC(N)=O)C(=O)O Tox21_113393_1 -NCGC00274065-01 196725649 tox21-ror-cho-viability-p1 set3 4 0.0084126743 -19.050976328 5 -14.050976328 2.7202212143 0.8324073058 0.0037154364 4.81604728 8.06514982 0 0 -11.9777546 -15.52760942 -10.15014378 -8.3586243 -20.45914694 -15.01529057 -13.76429955 -10.54182011 -13.93018736 -18.96816981 -10.70377061 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 638-94-8 5311066 170464832 A Desonide OCC(=O)[C@@]54OC(C)(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_112603_1 -NCGC00253602-01 196726059 tox21-ror-cho-viability-p1 set3 4 4.2562421 10.17908965 1.33997526 -0.16467792 1.38066476 -0.72725552 9.24202702 0.70458124 1.96760402 3.53149682 1.07804606 2.50909285 6.22705805 1.2199971 2.79664707 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 91-79-2 7066 170465520 A A Thenyldiamine CN(C)CCN(Cc1ccsc1)c2ccccn2 Tox21_113737 -NCGC00257594-01 196729890 tox21-ror-cho-viability-p1 set3 4 0.1115878139 11.505512 -14.005512 -2.5 2.4063783767 0.5081060313 0.1710812607 -4.84024891 -14.07961381 -21.67126 -18.93640929 -5.60504661 -20.01632906 -1.13479617 -3.37472756 0 0 -3.03251632 -1.31688115 -8.50325532 -6.36132304 -1.37368508 1.206E-9 2.6979999999E-9 6.032E-9 1.349E-8 3.016E-8 6.744E-8 1.5079999999E-7 3.372E-7 7.54E-7 0.0000016859999999 0.00000377 0.0000084299999999 0.00001885 0.000042149999999 0.00009425 6287-38-3 22710 144207238 A B 3,4-Dichlorobenzaldehyde Clc1ccc(C=O)cc1Cl Tox21_200040 -NCGC00256085-01 196729060 tox21-ror-cho-viability-p1 set3 4 0 0.4562002 3.30849844 -1.06460388 3.1350459 -0.92545283 5.25063619 1.31249348 5.25602622 3.47011642 4.87231954 0.4225831 -4.72124421 0.54102175 4.33492028 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 22047-25-2 30914 144212626 A F Acetylpyrazine CC(=O)c1cnccn1 Tox21_302309 -NCGC00258298-01 196729887 tox21-ror-cho-viability-p1 set3 4 1.21550594 -0.08548599 -6.944392 -7.50723992 1.38060398 -1.25982028 0.79550234 -0.22634341 -0.72725426 1.22683546 0.04496202 0.52135014 0.87843052 -1.82105668 -0.84306128 1.163E-9 2.5999999999E-9 5.8139999999E-9 1.2999999999E-8 2.9069999999E-8 6.5E-8 1.453E-7 3.25E-7 7.267E-7 0.000001625 0.000003634 0.000008125 0.00001817 0.000040619999999 0.00009084 10595-95-6 25418 144207942 D N-Nitroso-N-methylethylamine CCN(C)N=O Tox21_200744 -NCGC00258481-01 196729888 tox21-ror-cho-viability-p1 set3 4 -0.74191982 -3.26138612 -5.15771704 -3.66741043 -0.0758751 -4.307696 1.68876763 -4.56807437 -13.51352103 -21.04695628 -2.40214239 -1.83193177 0.90835685 -4.40821083 0.46529681 1.2359999999E-9 2.764E-9 6.1809999999E-9 1.382E-8 3.09E-8 6.9099999999E-8 1.545E-7 3.4549999999E-7 7.7259999999E-7 0.0000017279999999 0.000003863 0.000008638 0.000019309999999 0.00004319 0.000096569999999 352-93-2 9609 144208125 FNS Diethyl sulfide CCSCC Tox21_200927 -NCGC00258165-01 196729892 tox21-ror-cho-viability-p1 set3 4 0.0049002499 -9.4049852 10 0.5950148 2.3331733767 0.7201846042 0.0379004379 8.68257222 9.37850845 3.43871665 1.63290853 -1.12774484 -0.01055237 5.0616826 1.31077409 1.37388243 -1.30011925 1.72367238 -2.420821 -0.11136506 2.21349217 5.14089107 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.000092909999999 74440-81-6 2734239 144207809 A A 1-Hexylpyridinium bromide [Br-].CCCCCC[n+]1ccccc1 Tox21_200611 -NCGC00166120-02 196697411 tox21-ror-cho-viability-p1 set1 -2.2 23.7101376556 -70.1416654763 2.5723207995 -67.5693446768 1.692447691 0.9709651325 4.033E-7 0.40789533 4.61700067 3.76995529 1.3121219 4.96370831 1.19157245 6.60711077 5.20035201 -0.81550093 -2.45163016 1.32644285 -2.63609367 -10.12243325 -24.81978515 -51.94647324 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 124-03-8 31280 170466067 A Ethylhexadecyldimethylammonium bromide [Br-].C[N+](C)(CCCCCCCCCCCCCCCC)CC Tox21_112326_1 -NCGC00016804-02 196723316 tox21-ror-cho-viability-p1 set3 4 0.026603212 16.691699772 -15.191699772 1.5 4.9549173134 0.6579688923 0.0705701669 -16.18057279 -0.14253195 -16.32178295 -18.89677351 -23.90974981 0 0 -1.20229223 5.65614541 3.38745469 5.27912367 2.99969178 -3.53021222 -2.37711384 -6.72442091 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 30544-47-9 35375 170466266 A Etofenamate FC(F)(F)c1cc(ccc1)Nc2ccccc2C(=O)OCCOCCO Tox21_110618_1 -NCGC00166215-05 196723322 tox21-ror-cho-viability-p1 set3 4 0.0018833632 -15.0284273319 14 -1.0284273319 0.5 0.4750166462 0.2188610439 10.37204355 6.32075442 4.73395579 5.13148581 1.84957985 -2.52681821 3.28354735 2.11636108 4.23584253 2.97190826 -1.25760628 -7.94035611 -4.36589232 3.93890032 9.13117214 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60-12-8 6054 170466787 F 2-Phenylethanol OCCc1ccccc1 Tox21_113544_1 -NCGC00263581-01 196723323 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -35.731077798 2.215960342 -33.515117456 4.9549173134 0.711025946 0.0333069691 -0.15871154 -0.64795375 -2.00799251 -1.77249811 -0.97009688 -1.06833825 1.09209267 -0.60223928 4.56243598 6.44318504 4.66816932 -1.4634432 8.67332178 13.94479585 -31.73599731 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 434-07-1 5281034 170465403 A Oxymetholone O=C3C[C@@H]4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@]1(C)O)[C@@]4(C)C\C3=C\O Tox21_111131_1 -NCGC00022612-11 196697361 tox21-ror-cho-viability-p1 set1 4 0.20659269 3.69854145 2.65681791 2.27940702 5.32486309 2.14909975 2.33273858 -0.09047182 4.35149837 0.55352901 4.00044253 7.11616483 1.0394166 2.48026759 0.21715423 1.1799999999E-10 2.638E-10 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 53994-73-3 51039 170464885 Cc Cefaclor ClC=3CS[C@H]2N(C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C=3C(=O)O Tox21_110880_1 -NCGC00016855-10 196697403 tox21-ror-cho-viability-p1 set1 -2.2 26.6032120037 -67.2122670635 -2.2862638669 -69.4985309304 1.4641 0.9587545625 0.0000029081 -0.90614367 0.21223645 0.03466713 -0.76003873 -1.45400949 -0.1131696 -0.17765097 -2.57161644 -2.9370745 -4.36747614 -8.04447097 -12.98164061 -11.88419765 -27.1604079 -52.65040222 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 43210-67-9 3334 170465647 A Fenbendazole O=C(OC)Nc1nc2cc(ccc2n1)Sc3ccccc3 Tox21_110649_1 -NCGC00091414-07 196697406 tox21-ror-cho-viability-p1 set1 4 -0.34267042 0.07849708 -1.20811148 2.35360646 2.07077605 -0.09981123 1.46896129 4.98800432 4.07219663 1.77560465 -0.06780659 0.73879393 2.30596001 1.34357646 3.31721214 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 65-45-2 5147 170465496 A Salicylamide O=C(N)c1ccccc1O Tox21_111129_1 -NCGC00179649-06 196697413 tox21-ror-cho-viability-p1 set1 4 0.0074978039 13.775408064 -8.775408064 5 0.3 0.7731375663 0.0136303664 -6.47950672 -3.14193464 -2.56636246 0.22892342 1.12263066 -3.2531519 0.29448744 0.58432653 1.92941151 0.27750719 1.72908061 5.39232444 3.8684318 3.78083824 3.99360896 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-24-8 5755 170464732 A Prednisolone OCC(=O)[C@@]4(O)CC[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_111327_1 -NCGC00090704-03 196697449 tox21-ror-cho-viability-p1 set1 4 -2.56266279 -0.02545779 -2.04823246 3.78556075 0.70298441 -0.86050272 -1.64219782 -0.07177341 -3.81987241 -1.28438236 0.02275703 1.05150958 -0.58646003 0.90473688 -0.22086754 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00185743-02 196697460 tox21-ror-cho-viability-p1 set1 -2.1 23.7101376556 -109.9313869078 -2.23348681 -112.1648737178 1.78848746 0.9952939029 0 0.38535359 -2.45706207 -2.39113729 -0.80803408 -3.66000161 -2.6894256 0.33773391 -3.12259306 -6.40945822 -2.76134914 -2.7722443 -6.63225711 -19.80792067 -48.98807883 -86.94951451 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 369-77-7 9719 170465550 A Cloflucarban FC(F)(F)c1cc(ccc1Cl)NC(=O)Nc2ccc(Cl)cc2 Tox21_113070_1 -NCGC00091146-04 196697469 tox21-ror-cho-viability-p1 set1 4 43.2771256911 -21.240769064 0.5 -20.740769064 2.4063783767 0.852015911 0.0021334119 -0.11295576 -5.57782409 0.71173163 -0.67068212 -0.4758203 0.84146564 3.63350361 3.00301325 0.75458282 -0.27806774 0.11727404 -0.46020845 0.10740642 -10.85046603 -17.28397422 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00260547-01 196724610 tox21-ror-cho-viability-p1 set3 4 -2.35343892 5.14528493 3.14838147 6.2637766 -1.70994305 -1.69423607 6.34684998 1.92799738 -8.30526851 0.41256409 0.74050492 0.23490267 -1.74744931 -0.07129425 -0.36586924 6.058E-11 1.3549999999E-10 3.0289999999E-10 6.773E-10 1.514E-9 3.386E-9 7.572E-9 1.693E-8 3.7859999999E-8 8.4659999999E-8 1.8929999999E-7 4.233E-7 9.465E-7 0.000002117 0.0000047329999999 86-88-4 736366 144210200 A A 1-(1-Naphthyl)-2-thiourea NC(=S)Nc2cccc1ccccc12 Tox21_203002 -NCGC00254855-01 196720305 tox21-ror-cho-viability-p1 set3 4 0.1722893406 5.111514248 -5.611514248 -0.5 4.9549173134 0.495983203 0.2006792244 -6.2766642 -8.84292854 -6.66397441 -1.47958491 -6.17747543 -5.37371649 -4.39167147 2.21162591 1.51789453 1.96678628 -5.73020048 -2.03153713 0.57426151 -3.30535081 -4.93273696 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58-89-9 727 144211270 A Lindane Cl[C@H]1[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H]1Cl Tox21_300953 -NCGC00254423-01 196720304 tox21-ror-cho-viability-p1 set3 4 10.8707224818 -32.625672714 10.3125155635 -22.3131571505 0.5 0.6392051039 0.0704808719 0.26337776 3.16256761 13.72835926 25.24261601 9.74931617 12.14414572 6.13975378 -2.03872352 0.72587562 1.70965786 -3.31392268 2.53673197 -7.2155721 -12.81653094 -16.84082108 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25956-17-6 5360805 144210711 A A Allura Red C.I.16035 [Na+].[Na+].Cc3cc(/N=N/c1c2ccc(cc2ccc1O)S([O-])(=O)=O)c(cc3S(=O)([O-])=O)OC Tox21_300393 -NCGC00255096-01 196720303 tox21-ror-cho-viability-p1 set3 4 0.87599961 -3.78267529 10.97998042 -4.62386192 13.6722229 4.9226407 0 9.82293182 -0.90199009 11.58752612 1.58777433 -2.4452027 5.57616779 11.06101095 5.82001517 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-63-2 4348 144211516 B N-Benzylethanolamine OCCNCc1ccccc1 Tox21_301199 -NCGC00016246-09 196717405 tox21-ror-cho-viability-p1 set2 3 29.8492948118 61.0228167923 -4.3713207794 56.6514960129 4.5044702849 0.864513441 0.0014037356 -9.05407097 -3.67649401 -3.01110861 -16.88410589 -1.66331532 -12.3716477 -5.49856612 -8.41100892 1.85674295 -3.49153834 -0.42315202 3.10690897 2.11047418 4.2486153 49.0466027 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55-56-1 9552079 170464748 A Chlorhexidine Clc2ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)cc2 Tox21_110325_1 -NCGC00094572-12 196716985 tox21-ror-cho-viability-p1 set2 4 1.13851361 0.37126203 0.36033364 0.93754439 3.61921926 1.23015744 1.75072609 0.43098355 0.46671355 0.23314997 2.07116142 1.63337081 0.6106294 0.04614632 1.84186871 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33089-61-1 36324 170465703 F Amitraz Cc2ccc(/N=C/N(C)/C=N/c1ccc(C)cc1C)c(C)c2 Tox21_111299_1 -NCGC00091297-05 196716989 tox21-ror-cho-viability-p1 set2 4 1.8891928 -0.69227888 -0.49911292 3.01255676 2.0474947 -1.2989597 2.494009 -1.00848535 1.24632813 1.27296995 0.39472392 2.73472704 -1.11493255 2.28052081 1.40771667 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 542-15-4 60196370 170465650 F Anilinium nitrate O[N+]([O-])=O.[NH3+]c1ccccc1 Tox21_113647_1 -NCGC00253714-01 196717000 tox21-ror-cho-viability-p1 set2 4 4.95331799 -0.59439284 4.15881318 2.42912505 2.12220758 0.45289606 -0.1490184 2.46115232 -0.5084573 -1.54709326 -0.02760788 -0.34626589 4.0935374 4.19787286 0.97044986 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5588-21-6 6154037 170466163 A I Cintriamide COc1c(cc(cc1OC)/C=C/C(N)=O)OC Tox21_113833 -NCGC00018250-06 196717414 tox21-ror-cho-viability-p1 set2 4 29.8492948118 -19.462542252 -0.5 -19.962542252 4.5044702849 0.8956340132 0.0004038672 0.39398686 -0.48318171 -0.86319981 4.22368652 -1.12793697 -1.1422801 0.92179082 0.76562722 0.00387973 -1.2491568 -1.66977391 -1.6838922 -1.70122502 -3.51562676 -17.46878521 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61318-91-0 65495 170465344 A Sulconazole nitrate [O-][N+](=O)O.Clc3ccc(C(SCc1ccc(Cl)cc1)Cn2ccnc2)c(Cl)c3 Tox21_110671_1 -NCGC00261969-01 196717415 tox21-ror-cho-viability-p1 set2 1.1 0.4730794415 86.0196510873 0.605273669 86.6249247563 2.3331733767 0.9889173785 9.759E-7 2.48635398 -0.81848352 1.82698652 -2.61698973 0.97697642 4.10616761 0.2663863 10.18222635 25.82262303 74.10564576 84.92639682 66.31811663 63.65156837 56.51733917 45.47474068 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 146961-77-5 72187522 170465095 F F Alatrofloxacin mesylate CS(=O)(=O)O.C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@]2(C)[C@@H]1CN(C[C@@H]12)c3nc4c(cc3F)C(=O)C(=CN4c5ccc(F)cc5F)C(=O)O Tox21_113889 -NCGC00247730-01 196717822 tox21-ror-cho-viability-p1 set2 4 -1.16545462 -8.08983472 -6.37934136 -0.23874861 0.62943688 -3.94620899 -4.49911014 1.02728532 -6.84591724 -10.51352437 -2.29919207 -4.40266925 -0.08890809 -5.61657642 -9.98119539 1.167E-9 2.61E-9 5.837E-9 1.305E-8 2.918E-8 6.5259999999E-8 1.459E-7 3.2629999999E-7 7.296E-7 0.000001631 0.000003648 0.000008157 0.000018239999999 0.000040789999999 0.0000912 1892-80-4 102710 144206449 A A Fenethylline hydrochloride Cl.CC(Cc1ccccc1)NCCn3cnc2c3C(=O)N(C)C(=O)N2C Tox21_112896 -NCGC00093976-08 196717831 tox21-ror-cho-viability-p1 set2 -2.4 26.6032120037 -29.300643928 1 -28.300643928 2.9522712143 0.8779782814 0.0008587924 -1.84913819 -0.59405518 2.70355886 0.75910521 4.45050439 3.18298661 3.85688584 3.75194449 -0.21327364 -3.66736309 -0.29121895 0.3364953 -3.25900408 -7.1225946 -23.58386994 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57852-57-0 636362 170464627 F Idarubicin hydrochloride Cl.CC(=O)[C@@]4(O)C[C@H](O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1)c5c(O)c3C(=O)c2ccccc2C(=O)c3c(O)c5C4 Tox21_111236_1 -NCGC00259707-01 196705600 tox21-ror-cho-viability-p1 set1 4 -5.64293586 -6.61886544 -6.61369114 -10.03426197 -9.43390729 -9.86431532 -5.14475242 -6.5444918 -3.47459355 -8.90945204 -5.48798033 -3.62196817 -9.90006521 -11.46572799 -4.18403172 1.2399999999E-9 2.772E-9 6.198E-9 1.386E-8 3.099E-8 6.929E-8 1.549E-7 3.4649999999E-7 7.747E-7 0.0000017319999999 0.000003874 0.000008662 0.00001937 0.00004331 0.00009684 57-13-6 1176 144209356 Ac Urea NC(N)=O Tox21_202158 -NCGC00259256-01 196705592 tox21-ror-cho-viability-p1 set1 4 5.84243873 -0.61968752 -1.01566189 -0.86108785 1.90999902 1.28007886 0.41596724 1.47906452 3.15292401 16.43599002 -0.48897431 2.41026413 0.39685222 4.30345705 1.34887376 1.195E-9 2.671E-9 5.973E-9 1.336E-8 2.987E-8 6.678E-8 1.493E-7 3.3389999999E-7 7.467E-7 0.0000016699999999 0.000003733 0.000008348 0.00001867 0.00004174 0.000093329999999 95-94-3 7270 144208905 A Ac 1,2,4,5-Tetrachlorobenzene Clc1cc(Cl)c(Cl)cc1Cl Tox21_201707 -NCGC00258887-01 196706012 tox21-ror-cho-viability-p1 set1 4 -2.26073199 0.36330349 -10.75892763 -2.08353052 -0.71729095 -3.71528638 -2.67928348 2.54372771 -5.20382265 0 -0.61033186 -9.67931803 -1.00195206 -12.71286176 1.10964827 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.96E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 111-27-3 8103 144208533 A A 1-Hexanol CCCCCCO Tox21_201335 -NCGC00259448-01 196706022 tox21-ror-cho-viability-p1 set1 4 0.4871788549 -13.1120221 -9.84599413 -12.1294891 -12.60552447 -10.1941672 -5.16237965 -5.83393366 -8.27960575 -9.60582714 -9.94919151 -0.45757654 -16.02635923 -19.39497103 -9.03086719 -30.62815468 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004132 0.0000924 100-20-9 7488 144209097 D 1,4-Benzenedicarbonyl dichloride O=C(Cl)c1ccc(cc1)C(Cl)=O Tox21_201899 -NCGC00091044-02 196706426 tox21-ror-cho-viability-p1 set1 4 -0.46612365 -2.7849112 -6.00478731 3.3803239 -0.43331498 0.02705096 -0.19214987 -3.53316563 -3.29653308 10.57270852 0.59938863 9.43879452 -1.67332356 -3.4436354 -1.07378874 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00259454-01 196706428 tox21-ror-cho-viability-p1 set1 4 13.9642461407 4.9879920479 -9.9455105839 -4.957518536 4.4494702849 0.3478310885 0.3249430773 -12.14896002 -5.87783349 -10.46816862 -13.43677053 -9.46491749 -8.38224076 -7.28656094 -6.76972059 -8.0401495 -8.72100571 -14.12125882 -13.73440335 -4.18113653 -6.69534789 -3.71459878 1.1999999999E-9 2.6819999999E-9 5.9979999999E-9 1.3409999999E-8 2.999E-8 6.7059999999E-8 1.5E-7 3.353E-7 7.498E-7 0.000001676 0.000003749 0.0000083819999999 0.000018739999999 0.00004191 0.000093719999999 5329-14-6 5987 144209103 A A Sulfamic acid NS(=O)(=O)O Tox21_201905 -NCGC00163843-03 196706839 tox21-ror-cho-viability-p1 set1 4 7.8291205549 8.524905076 -7.524905076 1 3.1319983358 0.3729717276 0.2981953369 0.59472161 -2.40384094 -10.44308742 -16.27075423 -6.03983702 -2.70078731 -5.68002271 -7.06932305 -12.87488347 -13.43495499 -4.45020779 -3.37708023 1.6771582 0.82094486 0.07918196 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00259814-01 196706846 tox21-ror-cho-viability-p1 set1 4 -8.10274316 -1.91901344 -3.03237546 -4.80039712 -5.85401563 -0.51811924 -6.54428407 3.22912717 -3.99295281 -9.2979439 -4.03924232 -3.78802103 -0.93082493 -4.48568176 -0.87492256 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.586E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009204 127-69-5 5344 144209463 A A Sulfisoxazole Cc2c(NS(=O)(=O)c1ccc(N)cc1)onc2C Tox21_202265 -NCGC00091483-03 196706848 tox21-ror-cho-viability-p1 set1 4 0.1219715124 -4.436683088 2.5 -1.936683088 2.5884283767 0.3363531321 0.3358134531 3.0907226 0.15255065 1.39081154 1.60378481 6.00808521 0.65286736 -0.27581812 -0.11388253 -8.28056924 1.52394724 0.26867503 0.70074887 -0.80877792 -6.14482995 -1.33901996 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00258810-01 196706855 tox21-ror-cho-viability-p1 set1 4 10.12754955 -0.29138661 0.31089799 0.97550695 2.1778393 -2.12348107 -0.39122059 1.93948419 10.31234445 0 0.593829 -0.40620101 -0.05958724 0.79507293 0.39234167 1.177E-9 2.6319999999E-9 5.884E-9 1.316E-8 2.942E-8 6.579E-8 1.471E-7 3.29E-7 7.356E-7 0.000001645 0.0000036779999999 0.000008224 0.00001839 0.000041119999999 0.000091939999999 62-23-7 6108 144208456 A A 4-Nitrobenzoic acid O=[N+]([O-])c1ccc(cc1)C(=O)O Tox21_201258 -NCGC00161621-03 196704375 tox21-ror-cho-viability-p1 set1 -2.4 23.7101376556 -25.693166324 -0.5 -26.193166324 3.0654483358 0.9020300333 0.0002923181 -1.20302001 -1.34920598 0.93374879 0.79941018 0.98320499 1.63103268 -0.83863604 2.3317447 -0.05164391 -0.35081854 -5.40307314 -4.3847975 -0.43134668 -10.643809 -23.49430527 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 481-49-2 10206 170465994 B Cepharanthine COc8ccc1cc8Oc7ccc(C[C@H]4c5c(Oc3cc2c(CCN(C)[C@@H]2C1)cc3OC)c6OCOc6cc5CCN4C)cc7 Tox21_111483_1 -NCGC00090952-07 196704366 tox21-ror-cho-viability-p1 set1 4 78.2912055491 -11.598048576 2.5 -9.098048576 4.9549173134 0.5870898063 0.1088506598 4.81790869 1.96530778 4.24590276 3.05208187 2.15112223 4.0761644 -0.65808403 4.11711484 -0.04798715 0.08189505 0.09471569 3.67387533 1.96266431 2.41290146 -5.91504048 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00179244-03 196704368 tox21-ror-cho-viability-p1 set1 4 0.25012278 1.50212589 0.03683424 -1.47803865 -1.64866097 0.05452058 -2.20328662 -8.25078927 -5.55895245 1.06093328 0.96598369 0.2766337 0.44333465 0.70749508 -0.27255019 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 130693-82-2 6918132 170465119 Z Dorzolamide hydrochloride Cl.NS(=O)(=O)c1cc2[C@H](C[C@H](C)S(=O)(=O)c2s1)NCC Tox21_110720_1 -NCGC00094525-09 196713437 tox21-ror-cho-viability-p1 set2 4 11.8832183006 -13.656821716 2 -11.656821716 1.111 0.6666744542 0.0663991295 2.70778423 0.87333692 0.72923154 7.96231647 1.4838013 0.52409686 1.5957617 0.32216764 1.69777908 -0.82540581 1.10459919 -1.13621691 -2.84105428 -8.04735143 -1.02384899 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 330-54-1 3120 170466802 A Diuron Clc1ccc(NC(=O)N(C)C)cc1Cl Tox21_111292_1 -NCGC00261968-01 196713414 tox21-ror-cho-viability-p1 set2 4 -4.72944028 -5.39825526 -2.09403237 -4.11448958 -7.17802042 -5.65166777 -5.82798469 -2.88348636 -2.47119432 -2.44827839 -0.91828248 -0.82738614 -4.66878436 -1.15100976 -2.03665832 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53684-49-4 2465 170465825 A A Bufetolol CC(C)(C)NCC(O)COc2ccccc2OCC1CCCO1 Tox21_113888 -NCGC00090874-04 196713415 tox21-ror-cho-viability-p1 set2 4 77.8989325373 -10.5828369719 1 -9.5828369719 4.5044702849 0.6583416917 0.0617073369 2.96157218 0.40478641 4.64377654 0.71569127 0.39369285 -0.58451874 0.76733668 0.78089044 0.38510195 0.59037909 0.77169142 -0.35560817 -0.48198054 0.38670735 -6.31903081 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00249936-01 196713428 tox21-ror-cho-viability-p1 set2 4 0.72472062 -0.04295798 -2.73587298 4.44509587 0.91740238 0.61418477 0.96570253 0.51515869 0.13534124 -1.30614578 -0.68414947 0.38833081 -0.3443222 1.12425569 0.86648681 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10397-75-8 25229 170465965 F A Iocarmic acid O=C(Nc1c(I)c(c(I)c(c1I)C(=O)O)C(=O)NC)CCCCC(=O)Nc2c(I)c(C(=O)NC)c(I)c(C(=O)O)c2I Tox21_113712 -NCGC00090885-03 196698828 tox21-ror-cho-viability-p1 set1 4 -1.08481481 -1.29547051 1.60522876 0.82016033 0.61092681 -1.47659266 -0.98980707 1.04763038 2.40742243 -1.95016652 -0.27172081 0.32025466 0.68433273 -1.54024351 -2.30772677 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00165993-02 196698014 tox21-ror-cho-viability-p1 set1 4 13.3331902297 -8.871277004 1 -7.871277004 4.4494702849 0.6823956144 0.0577745014 2.0698083 -0.99953105 1.00674376 0.42991784 -2.49399083 0.97629761 -0.00036696 0.01344661 1.8222755 0.4578777 3.9244967 0.99883966 0.68805938 -8.22606417 3.30724078 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98-98-6 1018 170466822 Z Picolinic acid O=C(O)c1ccccn1 Tox21_112282_1 -NCGC00183020-01 196698019 tox21-ror-cho-viability-p1 set1 -3 33.4914596268 -41.7589322224 2.4515578595 -39.3073743629 4.9549173134 0.9489442189 0.0000094502 0.13368864 5.384174 2.75606122 1.33512469 4.91613248 2.84071408 6.48868986 2.46709889 0.49877897 0.8156253 0.21075239 -0.32487971 0.74406765 0.32747485 -34.48015295 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 128420-61-1 130990 144206826 A A Minopafant [Cl-].COc1ccccc1C(=O)N(Cc2cccc[n+]2CC)C(=O)OC[C@@H](COC(=O)N3CCC(CC3)OC(=O)NCCCCCCCCCCCCCCCCCC)OC Tox21_113275 -NCGC00254111-01 196698827 tox21-ror-cho-viability-p1 set1 4 -8.77561858 -8.21828046 -14.84864482 -11.58459024 -6.67454471 -7.2909123 -7.11668228 -5.3600286 -7.27912691 -6.51740037 -8.66359883 -5.36986488 -6.55655859 -6.88297276 -12.34091303 2.831E-10 6.331E-10 1.4159999999E-9 3.166E-9 7.078E-9 1.583E-8 3.5389999999E-8 7.9139999999E-8 1.7699999999E-7 3.957E-7 8.848E-7 0.000001978 0.000004424 0.000009892 0.00002212 NOCAS_47383 60196409 144210576 A A AVE3247 [Na+].Clc1ccc(s1)c6onc(Cn4c5ccc(cc5nc4C(=O)NC2CCN(CC2)C3CC3)C([O-])=O)c6 Tox21_300256 -NCGC00255103-01 196698833 tox21-ror-cho-viability-p1 set1 4 -2.91181564 -2.30548143 -1.12330679 -4.09866364 0.35810925 -2.29713954 1.70396756 -3.44413762 1.1796162 -2.55385439 -5.3488029 -3.07386295 -3.25432844 0.91891361 -2.56256383 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 36001-88-4 100524 144211523 A A Amiprofos-methyl S=P(Oc1ccc(C)cc1[N+]([O-])=O)(NC(C)C)OC Tox21_301206 -NCGC00166249-03 196725019 tox21-ror-cho-viability-p1 set3 4 13.3331902297 -33.642017556 8 -25.642017556 0.6999999999 0.6684331446 0.0535900517 10.93149211 10.66440744 -0.21900512 10.6375237 0.72713915 15.21975555 0 10.64615739 14.00981892 -4.10948957 1.14639631 -3.23628274 -3.83197182 -9.49546847 -18.03501463 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15905-32-5 3259 170465719 A Erythrosin B Ic4c5Oc1c(I)c(O)c(I)cc1C3(OC(=O)c2ccccc23)c5cc(I)c4O Tox21_113464_1 -NCGC00159326-03 196725006 tox21-ror-cho-viability-p1 set3 4 3.96044336 2.44401576 0.30070453 4.67343322 6.16524137 3.46003051 0.06047321 5.72631953 -2.92136209 -0.96448025 6.32044015 6.15912481 7.26705926 6.03628872 -3.3884319 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 859-18-7 64710 170465252 A Lincomycin hydrochloride Cl.O[C@@H]1[C@@H](O)[C@@H](O)[C@H](O[C@@H]1SC)[C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@@H](C)O Tox21_111575_1 -NCGC00018100-08 196725012 tox21-ror-cho-viability-p1 set3 4 26.6032120037 -10.707375508 -1 -11.707375508 3.9294729863 0.469557064 0.2079339334 1.18315579 1.87712451 1.29435194 -2.05758363 -2.36507333 -2.21136911 -1.06811179 -0.00646901 -6.30131135 -7.00063724 0.9207383 -0.43818907 1.6495981 -4.1694674 -10.58947959 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 105628-07-7 163751 170466011 A Fasudil hydrochloride Cl.O=S(=O)(c2cccc1cnccc12)N3CCCNCC3 Tox21_110824_1 -NCGC00015424-11 196725018 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -85.0157774855 11 -74.0157774855 4.9549173134 0.7825409595 0.0111968105 -3.75327772 -2.26703028 0.60127754 12.55486979 0 9.50285231 13.99792357 16.89023105 15.28869643 11.93181591 16.52609177 5.38893449 26.73374549 23.54689034 -65.5238824 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1841-19-6 3396 170466307 A Fluspirilene Fc1ccc(cc1)C(CCCN2CCC4(CC2)C(=O)NCN4c3ccccc3)c5ccc(F)cc5 Tox21_110142_1 -NCGC00015680-18 196725022 tox21-ror-cho-viability-p1 set3 4 0.001333319 9.2635286839 -7.2635286839 2 0.8999999999 0.3821463646 0.3084423472 -6.05294057 1.05657903 -3.8569228 0.00106598 2.07419875 -0.55007361 2.03516312 7.04960193 -1.20209176 4.8700518 2.67313267 1.24180196 -1.40109841 1.19233098 -0.32747005 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 73-31-4 896 170465589 A Melatonin CC(=O)NCCc2cnc1ccc(cc12)OC Tox21_110195_1 -NCGC00159319-04 196725424 tox21-ror-cho-viability-p1 set3 4 -0.2388036 1.98332048 0.46417711 3.49016896 3.19153823 -0.11610115 6.29816799 12.39730235 8.72046019 14.42442888 -0.04602127 2.39257716 7.89797363 4.1557859 3.69995777 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68291-97-4 5734 170465437 A Zonisamide NS(=O)(=O)Cc2noc1ccccc12 Tox21_111569_1 -NCGC00259910-01 196721143 tox21-ror-cho-viability-p1 set3 -2.2 60.8198633448 -47.679581776 -2 -49.679581776 1.8851180601 0.8800248503 0.0007888491 -1.56435207 1.77385969 2.10428044 -8.10483762 -2.77444566 -0.44861577 -3.54585926 -1.77135993 -2.11301516 0.71747094 -4.94351257 -6.07422849 -10.91442816 -11.59010704 -37.6360468 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.569E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.00004106 0.00009181 569-57-3 11289 144209559 A A Chlorotrianisene COc1ccc(cc1)C(\Cl)=C(/c2ccc(OC)cc2)c3ccc(OC)cc3 Tox21_202361 -NCGC00254182-01 196720732 tox21-ror-cho-viability-p1 set3 4 15.3553036427 8.084773232 0.915226768 9 4.9549173134 0.4114424243 0.2616740324 -4.83941795 4.86603366 5.21682942 3.14435929 5.65645543 2.75377836 0.07312063 -4.24944601 0.6471051 -2.79944747 3.85718349 -5.07064436 8.34138289 10.11303993 7.08045929 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-08-1 7422 144210327 AC Ac 3-Nitrotoluene Cc1cc(ccc1)[N+](=O)[O-] Tox21_300007 -NCGC00259115-01 196721131 tox21-ror-cho-viability-p1 set3 4 2.4584215472 15.05774326 -6.55774326 8.5 0.3 0.5313448205 0.1518025937 -5.35517959 -4.73169935 -5.21239098 -2.29145006 -1.1436833 -9.21478605 0.13302711 -1.84631037 4.356624 -2.15204487 3.8769039 -1.6199036 0.25288463 8.82213337 3.75762248 1.19E-9 2.6619999999E-9 5.9519999999E-9 1.331E-8 2.976E-8 6.654E-8 1.4879999999E-7 3.3269999999E-7 7.44E-7 0.0000016639999999 0.00000372 0.0000083179999999 0.0000186 0.00004159 0.000093 120-14-9 8419 144208764 A A Veratraldehyde COc1cc(ccc1OC)C=O Tox21_201566 -NCGC00258930-01 196721140 tox21-ror-cho-viability-p1 set3 4 27.5839434439 8.9231678559 -3.4231678559 5.5 4.9549173134 0.4062240867 0.2669016969 -2.38308241 -1.96222903 -0.06872912 6.25024016 -7.85263988 -7.44332004 -2.00825744 -4.97143376 -6.68198361 -4.74179407 -4.97490429 -2.39286287 -4.65858187 6.22719162 4.02254471 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.65E-8 1.487E-7 3.325E-7 7.4339999999E-7 0.000001662 0.0000037169999999 0.000008312 0.00001859 0.00004156 0.00009293 460-00-4 9993 144208577 AC Ac 1-Bromo-4-fluorobenzene Fc1ccc(Br)cc1 Tox21_201379 -NCGC00259852-01 196721530 tox21-ror-cho-viability-p1 set3 4 0.0273337915 -6.234540212 2 -4.234540212 4.9549173134 0.5077051954 0.1730443991 -3.30935576 2.73398425 2.82305842 5.17697753 -2.62147809 -2.53930366 -4.91631007 -3.80224673 -4.37907203 -0.15481935 -4.44967762 -4.97973719 -5.13630947 -1.65231755 -9.77878351 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3839999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004128 0.00009229 298-00-0 4130 144209501 D Methyl parathion S=P(Oc1ccc(cc1)[N+]([O-])=O)(OC)OC Tox21_202303 -NCGC00256906-01 196718656 tox21-ror-cho-viability-p1 set2 4 -1.47626399 -1.07779761 0.79769628 -1.98282761 -1.73441647 0.52617499 0.34745197 0.05592509 0.6984811 -0.95415169 0.65676147 1.47411888 -1.64640914 -0.52080377 -1.00777839 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5435-64-3 21574 144213018 F 3,5,5-Trimethylhexanal CC(C)(C)CC(C)CC=O Tox21_302701 -NCGC00256715-01 196718639 tox21-ror-cho-viability-p1 set2 4 -2.20346119 -2.26348021 -0.76012536 -2.06543917 -1.86652136 -3.02875275 -4.71931895 0.90306665 -3.75544406 -1.39074202 2.0296497 0.90463406 -5.89580985 -7.34576224 -4.02908328 1.226E-9 2.742E-9 6.131E-9 1.371E-8 3.065E-8 6.854E-8 1.5329999999E-7 3.4269999999E-7 7.663E-7 0.0000017139999999 0.000003832 0.000008568 0.00001916 0.00004284 0.00009579 41395-83-9 38855 144213927 A Bc Propylene glycol dipelargonate CC(COC(=O)CCCCCCCC)OC(=O)CCCCCCCC Tox21_303622 -NCGC00257138-01 196718644 tox21-ror-cho-viability-p1 set2 4 -3.3661336 -0.2868215 -2.61109582 -1.56351881 -0.29664401 -0.65651035 0.12015765 -0.14558804 -1.10411412 3.06131595 0.3389577 3.55619077 2.5042449 3.64143893 5.07535879 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 156-43-4 9076 144213651 A B 4-Ethoxyaniline CCOc1ccc(N)cc1 Tox21_303334 -NCGC00256729-01 196718647 tox21-ror-cho-viability-p1 set2 4 -5.65798785 -0.36412356 -3.74469893 -2.20694597 -7.84392474 -3.68511327 -10.6692061 -1.42717267 -9.75056293 -4.52262221 -1.37600604 0.75357025 -1.7499732 -3.80981828 -15.67266096 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 8008-45-5 144212971 M M Nutmeg oil Tox21_302654 -NCGC00256747-01 196719056 tox21-ror-cho-viability-p1 set2 4 2.40955228 2.6138927 -0.91778511 -1.07024168 0.42630192 -1.80040138 -10.49739249 -0.23522854 -7.05840086 2.15388557 -2.27044646 2.39297717 3.97082992 3.67791408 -1.04600921 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13380-94-4 96509 144212944 A A Corodane O=C1CC2CC1C3CCCC23 Tox21_302627 -NCGC00257507-01 196719080 tox21-ror-cho-viability-p1 set2 4 2.11869938 1.19986698 -0.67371658 1.44864649 4.28794603 2.42435617 2.9753258 5.11211715 2.91671572 2.10032474 1.85629839 2.78509093 -0.2465257 1.96827254 4.11435118 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 54464-57-2 108242 144213792 A I 1-(2,3,8,8-Tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone CC(=O)C2(C)CC1=C(CCCC1(C)C)CC2C Tox21_303483 -NCGC00254911-01 196719501 tox21-ror-cho-viability-p1 set3 4 0.0485577337 12.353085428 -12.353085428 0 0.6999999999 0.7723395049 0.0136135205 -7.75241055 -17.37757119 -8.21855616 -6.16142608 -7.68858113 -8.16156031 -2.74250221 -1.38568527 -1.90488945 -1.31524605 -1.16492101 -1.05053264 0.15050347 0.4756995 0.73334607 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 35575-96-3 71482 144211326 A C Azamethiphos O=P(OC)(OC)SCN1c2ncc(Cl)cc2OC1=O Tox21_301009 -NCGC00094521-05 196719521 tox21-ror-cho-viability-p1 set3 4 0.0030637859 18.458494068 -20.458494068 -2 0.7 0.686217925 0.0544877666 -13.94911116 -15.38207839 -6.24026832 -1.11452052 -8.94939352 -6.75426639 -2.56136411 -3.03681589 -5.64147901 -2.94368644 -1.3603399 -1.24289887 -1.35052599 0.24069279 -18.26556679 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00256638-01 196708092 tox21-ror-cho-viability-p1 set1 -2.2 33.4914596268 -40.0763710508 -4 -44.0763710508 1.8851180601 0.7332174009 0.0249079039 -1.73504571 -6.34032884 -5.60490259 -6.40531611 -9.7625474 -10.68625287 -2.34378064 -6.47552945 -5.34873261 -8.08160784 3.37154821 -3.92663941 -12.3917649 -10.47138126 -33.39119019 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68606-83-7 144213020 M M Cananga oil Tox21_302703 -NCGC00257093-01 196708095 tox21-ror-cho-viability-p1 set1 4 43.2331187906 8.8587847041 0.1412152959 9 1.21 0.4196998331 0.2565339835 2.97371083 0.61162642 1.10359856 0.32685213 0.82759372 0.77098812 -0.29433687 -0.02107504 -5.71565392 0.74312858 -0.62258095 2.57263805 4.98316007 0.57275842 8.18502576 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.000018429999999 0.0000412 0.000092129999999 56-93-9 5963 144213577 A Benzyltrimethylammonium chloride [Cl-].C[N+](C)(C)Cc1ccccc1 Tox21_303260 -NCGC00259673-01 196706053 tox21-ror-cho-viability-p1 set1 4 3.32701357 -4.14624513 -4.04345413 4.60937061 1.62608082 -0.6340149 -0.50136844 0.21335535 7.00569593 0 -8.7557519 -6.46890996 0.34171262 1.33973079 -6.82403082 1.189E-9 2.6589999999E-9 5.946E-9 1.3289999999E-8 2.973E-8 6.647E-8 1.486E-7 3.3239999999E-7 7.4319999999E-7 0.000001662 0.000003716 0.000008309 0.000018579999999 0.000041549999999 0.0000929 112-53-8 8193 144209322 A A 1-Dodecanol CCCCCCCCCCCCO Tox21_202124 -NCGC00015675-08 196706031 tox21-ror-cho-viability-p1 set1 4 -1.80770539 -0.20647216 1.52257447 5.42476111 5.78747409 -2.70148681 -0.06906359 1.20536367 -13.39059749 7.55524694 -0.94893561 -1.78113855 0.74185276 0.52058834 11.61552726 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00259415-01 196706047 tox21-ror-cho-viability-p1 set1 4 -7.39258416 2.76416517 -0.66353605 -3.97313652 -5.58667577 0.07826863 -2.76334723 -0.17226171 -0.40450476 0 2.14477755 -3.73944793 -2.24549259 -1.61554598 -2.77494286 1.166E-9 2.606E-9 5.8279999999E-9 1.303E-8 2.9139999999E-8 6.515E-8 1.457E-7 3.2579999999E-7 7.284E-7 0.000001629 0.0000036419999999 0.000008144 0.00001821 0.000040719999999 0.00009106 101-21-3 2728 144209064 A A Chlorpropham Clc1cc(NC(=O)OC(C)C)ccc1 Tox21_201866 -NCGC00258988-01 196706051 tox21-ror-cho-viability-p1 set1 4 1.84144406 2.03120271 1.1483266 4.70483723 1.09774783 2.29201856 0.00432675 0.83376093 2.05726637 0 2.51782527 -0.98705475 2.37734478 -0.60806322 0.74737851 1.182E-9 2.6429999999E-9 5.91E-9 1.322E-8 2.955E-8 6.608E-8 1.4779999999E-7 3.304E-7 7.388E-7 0.0000016519999999 0.0000036939999999 0.0000082599999999 0.000018469999999 0.000041299999999 0.00009235 25498-49-1 25054 144208635 A A Tripropylene glycol monomethyl ether COC(C)COC(C)COC(C)CO Tox21_201437 -NCGC00163724-03 196706444 tox21-ror-cho-viability-p1 set1 4 1.02994715 -0.54082038 -0.38801246 0.48057094 3.12336377 2.33846338 -0.00806956 5.87124636 5.83400166 6.58632163 2.15175862 1.35479591 0.99696146 1.25265608 -0.2861899 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00259659-01 196706454 tox21-ror-cho-viability-p1 set1 4 0.50111385 -0.97495398 4.19018186 5.57172279 -0.2475835 0.46386334 -7.34189401 -2.01441237 -6.68862645 7.24297777 -0.98441116 -3.47656395 -0.1811963 -3.78813408 1.213417 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.9669999999E-8 6.635E-8 1.484E-7 3.318E-7 7.4179999999E-7 0.000001659 0.000003709 0.000008294 0.00001855 0.000041469999999 0.00009273 57-66-9 4911 144209308 A A Probenecid O=S(=O)(N(CCC)CCC)c1ccc(cc1)C(=O)O Tox21_202110 -NCGC00091011-05 196706458 tox21-ror-cho-viability-p1 set1 4 -1.14614085 -2.0262088 -2.06039975 -0.12408612 6.95445651 -0.11210364 -0.83334304 0.03851651 -0.75515823 13.89306943 -1.8819758 -3.06385363 -6.05842025 -0.19049818 0.301552 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00259836-01 196706465 tox21-ror-cho-viability-p1 set1 4 2.84259804 -4.75536343 -1.16315455 1.08555146 2.77205862 -0.61163317 -7.84094831 2.11293035 2.83591645 -4.48841791 -0.10532514 -1.54257749 2.79075288 1.61333913 -1.30849483 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3839999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004128 0.00009229 614-45-9 11966 144209485 D tert-Butyl perbenzoate CC(C)(C)OOC(=O)c1ccccc1 Tox21_202287 -NCGC00259037-01 196706469 tox21-ror-cho-viability-p1 set1 4 -4.9956129 0.14378947 -4.13573151 -1.72901474 -0.19125116 0.4144403 -5.39224666 -2.43200245 0.54599882 4.19565973 1.090635 -1.53830231 -3.87566823 -0.08345117 -0.69904072 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 43222-48-6 39424 144208684 A A Difenzoquat metilsulfate Cn2[n+](C)c(cc2c1ccccc1)c3ccccc3.[O-]S(=O)(=O)OC Tox21_201486 -NCGC00259079-01 196706871 tox21-ror-cho-viability-p1 set1 -1.1 21.8002774318 -92.8481654077 1.3882543789 -91.4599110288 2.3531167061 0.993247874 1E-10 0.95823184 -1.63628019 2.53692448 0.72308282 1.10900323 0.96484684 2.16418734 6.45087677 5.39345089 0 -4.65517659 -6.60195308 -33.79697485 -74.8949332 -89.66657944 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.962E-8 6.622E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 119-47-1 8398 144208727 A A 2,2'-Methylenebis(4-methyl-6-tert-butylphenol) CC(C)(C)c2cc(C)cc(Cc1cc(C)cc(c1O)C(C)(C)C)c2O Tox21_201529 -NCGC00258447-01 196715914 tox21-ror-cho-viability-p1 set2 -2.4 60.8819825247 -30.6908940319 -0.5 -31.1908940319 4.9549173134 0.8420914577 0.0028508467 5.19241936 -0.85210455 0.51723285 -0.79882058 -0.35750992 -0.51573316 0.93607271 -7.39255098 4.08073379 -5.2556794 0.45434677 -1.82838158 0.04265665 -4.70424358 -27.65907836 1.1759999999E-9 2.63E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.576E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.00000822 0.000018379999999 0.0000411 0.0000919 879-39-0 13428 144208091 Ac 2,3,4,5-Tetrachloronitrobenzene Clc1c(cc(Cl)c(Cl)c1Cl)[N+]([O-])=O Tox21_200893 -NCGC00258255-01 196715497 tox21-ror-cho-viability-p1 set2 4 -1.54596419 -4.83922745 0.07163034 -1.48953974 -0.29556074 0.93059861 0.24059499 0.13126912 -0.89466983 -0.67007605 -1.62979718 0.93457797 2.29329867 0.7732602 1.83587935 1.177E-9 2.6319999999E-9 5.886E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.000003679 0.000008225 0.00001839 0.00004113 0.00009196 3115-68-2 76564 144207899 A A Tetrabutylphosphonium bromide [Br-].CCCC[P+](CCCC)(CCCC)CCCC Tox21_200701 -NCGC00258133-01 196715506 tox21-ror-cho-viability-p1 set2 4 -1.01163724 -0.84198308 2.2542738 1.8682685 4.230582 -5.50576171 1.92350015 2.60299934 2.51154871 1.87766492 1.66957258 -4.49166443 2.30000043 0.24774099 7.11427785 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.00004119 0.000092099999999 53226-35-0 171257 144207777 F 2-Hydroxyethylammonium formate O=CO.NCCO Tox21_200579 -NCGC00258391-01 196715509 tox21-ror-cho-viability-p1 set2 4 27.9180680367 -16.3448553639 3.5 -12.8448553639 1.4780888099 0.7545265654 0.0182814402 -0.40557124 2.82042559 7.20014756 0.47978348 7.75990113 2.70548453 2.97196122 3.25253058 0 6.71580225 4.36120642 0.63674449 -3.1376421 -5.39070348 -11.53737947 1.202E-9 2.688E-9 6.0119999999E-9 1.344E-8 3.006E-8 6.721E-8 1.503E-7 3.361E-7 7.5139999999E-7 0.0000016799999999 0.0000037569999999 0.000008401 0.000018789999999 0.00004201 0.00009393 619-23-8 12078 144208035 D 3-Nitrobenzyl chloride O=[N+]([O-])c1cc(CCl)ccc1 Tox21_200837 -NCGC00258547-01 196715916 tox21-ror-cho-viability-p1 set2 4 6.1130564862 -14.3258291601 -1.7320702799 -16.05789944 1.0999999999 0.9252684599 0.0000733169 -0.27299437 -4.21755794 -2.44782537 -4.12824171 -0.1933919 -3.14075426 -0.81001727 -1.25181966 -2.10303729 -5.71855412 -6.71396168 -10.96104226 -12.50822609 -12.85197918 -16.7149162 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.0000036889999999 0.000008248 0.00001844 0.00004124 0.00009222 6112-76-1 6537489 144208192 A A 6-Mercaptopurine monohydrate O.S=C1NC=NC2N=CNC12 Tox21_200994 -NCGC00090698-04 196715917 tox21-ror-cho-viability-p1 set2 4 -1.11093585 -3.1340237 -2.87452304 -0.80865697 -3.13433508 -1.80989064 -3.51085593 -0.14264459 -1.28635423 -0.38046338 -5.5121416 -1.05023308 -10.06334969 -6.84739939 -7.1930696 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00090750-04 196715920 tox21-ror-cho-viability-p1 set2 4 49.1509036116 -16.3139175279 -1 -17.3139175279 3.0654483358 0.8304975345 0.0039559595 -0.36488874 -1.15423093 -0.26029017 -5.41015583 -0.58382327 0.05602824 0.34280991 0.87068198 -3.8539444 -1.54517767 0.25450375 -0.56126214 0.82294041 -7.28953333 -15.26159794 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00257623-01 196715930 tox21-ror-cho-viability-p1 set2 4 15.2460596497 -10.8265983359 -2 -12.8265983359 0.7999999999 0.430225518 0.2442472114 1.42294244 0.70701444 -5.44605949 -2.84239663 -4.54707462 -4.1032384 -6.6226609 -0.11734763 1.39048417 -1.42795763 -2.26770353 -12.77216528 -7.58978403 -7.06782833 -10.20513487 1.173E-9 2.624E-9 5.867E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.28E-7 7.3329999999E-7 0.0000016399999999 0.000003667 0.0000081989999999 0.00001833 0.000041 0.00009167 114-83-0 8247 144207267 A A 1-Acetyl-2-phenylhydrazine CC(=O)NNc1ccccc1 Tox21_200069 -NCGC00163818-04 196716325 tox21-ror-cho-viability-p1 set2 -2.2 32.674068997 -41.817425644 1 -40.817425644 1.0999999999 0.8901398235 0.0005134485 1.56914234 2.6734774 3.05562731 1.65687831 1.5542189 3.0524879 -1.27410301 1.18927668 0.1394807 -1.1285739 -14.25704808 -2.99193503 -10.35185655 -23.92509612 -34.01452137 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00254520-01 196714697 tox21-ror-cho-viability-p1 set2 -2.2 48.5577336745 -60.9905349728 1.4371611989 -59.5533737739 3.1319983358 0.993660759 1E-10 2.55545652 0.39220664 0.62424205 0.99533509 0.20043024 3.31522606 1.74431745 0.72461112 1.79804239 0.79376622 0.27390337 3.17732609 0.61638584 -22.30933504 -52.31316195 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84852-15-3 338733 144210893 A A 4-Nonylphenol, branched Oc1ccc(CCCCCCC(C)C)cc1 Tox21_300576 -NCGC00254927-01 196714287 tox21-ror-cho-viability-p1 set2 4 0.0385707789 -7.990674508 0 -7.990674508 4.9549173134 0.6729404347 0.0620440438 -1.7639187 0.51723283 0.30455331 0.42901037 -0.22491649 -9.9995304 -13.32556209 -11.39739626 -9.15211539 -2.79573034 -5.93183241 -5.4095893 -8.9445309 -5.90770153 3.213509 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 12771-68-5 25572 144211342 A A Ancymidol OC(C1CC1)(c2cncnc2)c3ccc(OC)cc3 Tox21_301025 -NCGC00254454-01 196714689 tox21-ror-cho-viability-p1 set2 4 3.64281293 -1.10858284 3.43911164 -0.63178529 -0.57468037 -0.39088057 0.13693402 2.46439848 0.32082517 -1.01910935 0.33380268 2.11465182 3.4405402 2.31888475 2.13783302 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 579-66-8 11369 144210651 A Fc 2,6-Diethylaniline CCc1cccc(CC)c1N Tox21_300333 -NCGC00257676-01 196730298 tox21-ror-cho-viability-p1 set3 4 -4.39112874 -1.03923077 0.36906451 0.19958018 1.32816964 0.02720043 0.57508851 0.0518931 0.78846142 -0.66361757 -0.53995429 -0.28462932 3.24120698 1.05766957 -0.3123299 1.194E-9 2.671E-9 5.9709999999E-9 1.335E-8 2.986E-8 6.676E-8 1.493E-7 3.338E-7 7.464E-7 0.000001669 0.000003732 0.000008345 0.00001866 0.000041729999999 0.000093299999999 50-02-2 5743 144207320 A A Dexamethasone OCC(=O)[C@@]4(O)[C@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_200122 -NCGC00258138-01 196730306 tox21-ror-cho-viability-p1 set3 4 2.99752978 2.95123079 -1.30195125 -0.06643156 1.96202862 -0.00030808 0.91802401 0.83467886 0.48217295 -0.5320143 1.45447607 0.17830144 2.44820808 1.0532017 1.432245 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003673 0.0000082119999999 0.000018359999999 0.00004106 0.000091819999999 227617-70-1 11243457 144207782 A A 1-Butyl-2,3-dimethylimidazolium hexafluorophosphate CCCCn1cc[n+](C)c1C.F[P-](F)(F)(F)(F)F Tox21_200584 -NCGC00258242-01 196730312 tox21-ror-cho-viability-p1 set3 4 5.5037202852 -9.508875748 1.5 -8.008875748 0.6999999999 0.6891985278 0.0437803184 -0.22272545 2.23647594 0.07806287 1.98193933 2.78114324 -0.5941331 2.78052191 0.01667816 -1.09680389 -2.0383451 -2.99317731 0 -9.59072979 -4.38288935 -6.62715371 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.65E-8 1.487E-7 3.325E-7 7.4339999999E-7 0.000001662 0.0000037169999999 0.000008312 0.00001859 0.00004156 0.00009293 446-35-5 67967 144207886 A A 2,4-Difluoronitrobenzene Fc1cc(F)ccc1[N+](=O)[O-] Tox21_200688 -NCGC00357150-01 196724579 tox21-ror-cho-viability-p1 set3 4 0.028347013 -31.20852597 -10.19614754 -34.02136093 -33.04337392 -6.01601668 -16.85636097 -2.48529126 -7.56825621 -1.58311597 1.90208958 1.18669363 3.51149213 5.52469244 -2.64101722 10.45480297 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3647-69-6 77210 251919898 Ac 4-(2-Chloroethyl)morpholine hydrochloride (1:1) Cl.ClCCN1CCOCC1 Tox21_303894 -NCGC00164487-02 196724982 tox21-ror-cho-viability-p1 set3 4 2.37287378 2.57087758 0.68753329 -0.8755906 2.63871307 -0.54017145 -1.18812194 -1.98923767 1.74203386 1.23013918 0.6591756 -0.00891596 -2.11947253 4.25713148 -1.67870709 5.899E-12 1.319E-11 2.949E-11 6.595E-11 1.475E-10 3.2969999999E-10 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 81-11-8 6668 170466584 F 4,4'-Diamino-2,2'-stilbenedisulfonic acid OS(=O)(=O)c2cc(N)ccc2C=Cc1ccc(N)cc1S(=O)(=O)O Tox21_112127_1 -NCGC00179424-04 196724991 tox21-ror-cho-viability-p1 set3 4 -0.91685579 2.03611719 -7.08399174 -0.21261574 -5.79208694 -0.03690609 0.34930923 -1.1597766 -7.41180978 -8.57821421 -0.28484414 -4.99735827 -0.56557016 1.12332163 0.00026421 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3759-92-0 92968 170466509 Fc Furaltadone hydrochloride Cl.[O-][N+](=O)c1ccc(o1)/C=N/N2CC(OC2=O)CN3CCOCC3 Tox21_110538_1 -NCGC00015759-05 196724998 tox21-ror-cho-viability-p1 set3 4 47.307944147 -19.541895664 0.5 -19.041895664 0.4 0.4942860414 0.1844391701 2.09230473 -3.45233674 0 0.80591477 4.26480948 -2.65418538 2.13806333 -3.50331122 -7.88974395 -3.00297131 -4.15504473 -3.45891861 -2.21186709 -4.67848393 -14.20157972 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4789-68-8 11957654 170466251 A Octoclothepine maleate O=C(O)/C=C\C(=O)O.CN1CCN(CC1)C2Cc4ccccc4Sc3ccc(Cl)cc23 Tox21_111259_1 -NCGC00274079-01 196725001 tox21-ror-cho-viability-p1 set3 4 0 -7.1930059 -7.373203 -0.86865731 -2.78859838 -2.05941841 2.81858567 -0.14624811 -4.77823405 -3.56291567 -2.15638688 -4.81965471 -1.41898203 -5.21040688 -4.87753963 1.1799999999E-10 2.638E-10 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 1198-77-2 23697816 170465686 F Sodium urate [Na+].O=C1NC(=O)NC=2[N-]C(=O)NC1=2 Tox21_112696_1 -NCGC00016058-07 196725002 tox21-ror-cho-viability-p1 set3 4 0.0021131682 6.217082524 -7.717082524 -1.5 4.9549173134 0.5255242123 0.1585015096 -5.27245529 -10.59756877 -0.30852614 -0.93769632 -3.86741531 1.51366083 -0.27735086 0.38367123 -1.07492683 -2.61894196 -3.86133974 -1.4483828 1.51949929 -2.43409814 -3.40632701 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 40796-97-2 671690 170466114 A MDL 72222 CN3[C@H]1CC[C@@H]3C[C@@H](C1)OC(=O)c2cc(Cl)cc(Cl)c2 Tox21_110293_1 -NCGC00259650-01 196709264 tox21-ror-cho-viability-p1 set2 4 34.271392867 -22.367754224 -1 -23.367754224 1.372261 0.888699681 0.0005514279 0.00134908 0.88937299 -1.52323403 -4.05680365 0.8101132 -2.21884884 0.41144983 -0.78128566 -0.09653157 -6.37696704 -2.80794669 -2.13175652 -8.84339743 -13.09608574 -19.47312852 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.000091989999999 112-00-5 8152 144209299 A A Dodecyltrimethylammonium chloride [Cl-].C[N+](C)(C)CCCCCCCCCCCC Tox21_202101 -NCGC00259914-01 196708840 tox21-ror-cho-viability-p1 set2 -3 68.6593799697 -52.9811019367 2.669265918 -50.3118360187 4.9549173134 0.9727481256 2.815E-7 2.72260095 0.12824375 1.7195393 4.75661562 0.96354157 -0.40643209 2.99817058 5.89100226 4.25669459 3.02573853 1.81809665 2.669565 2.13737635 1.93607722 -40.72367938 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.000041259999999 0.000092249999999 115-29-7 3224 144209563 Endosulfan ClC2=C(Cl)C3(Cl)C1COS(=O)OCC1C2(Cl)C3(Cl)Cl Tox21_202365 -NCGC00259716-01 196708861 tox21-ror-cho-viability-p1 set2 4 -1.08127929 1.78088024 -3.01636377 -1.03151603 -2.55394805 -1.94534748 -2.24375919 -1.9521315 -1.23935639 0.97507935 -0.80277215 -2.64108949 -1.29971252 -1.94698964 -2.68701136 1.203E-9 2.6889999999E-9 6.013E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003758 0.000008404 0.000018789999999 0.00004202 0.000093959999999 28804-88-8 11317 144209365 A Dimethylnaphthalene Cc1c2ccccc2ccc1C Tox21_202167 -NCGC00259624-01 196709255 tox21-ror-cho-viability-p1 set2 4 2.41899711 1.31236561 0.36725115 3.97089991 -1.97146653 -0.42231047 4.49594527 0.12140111 0.75994038 -1.69104521 -1.36982332 -2.32569666 -3.45173738 -0.05834281 4.22903092 1.194E-9 2.6689999999E-9 5.968E-9 1.3339999999E-8 2.9839999999E-8 6.672E-8 1.4919999999E-7 3.3359999999E-7 7.4599999999E-7 0.000001668 0.00000373 0.00000834 0.00001865 0.0000417 0.00009324 532-27-4 10757 144209273 D 2-Chloroacetophenone O=C(CCl)c1ccccc1 Tox21_202075 -NCGC00255898-01 196728810 tox21-ror-cho-viability-p1 set3 -1.1 21.6899429044 -89.9292721004 2.277739906 -87.6515321944 3.6772481694 0.9952109731 0 1.08106975 -1.92721038 2.17301417 3.05876478 2.93047855 -1.24285702 2.1079992 0.98533435 6.4416555 4.08093902 1.57667717 2.04240178 -30.42257889 -79.07460256 -88.00354638 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 587-85-9 11488 144211643 F A Diphenylmercury(II) c1ccccc1[Hg]c2ccccc2 Tox21_301326 -NCGC00091210-02 196724611 tox21-ror-cho-viability-p1 set3 4 30.6378586933 -13.7889315239 -2 -15.7889315239 0.5 0.4112600958 0.2625219309 -5.39196822 -4.19336725 -4.32818464 -4.28956772 -0.12278425 0.53720382 1.56504019 -5.873558 -0.19015879 -8.9780008 -10.57504388 -4.25057886 -6.29840955 -7.38438434 -12.74077627 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00260277-01 196724613 tox21-ror-cho-viability-p1 set3 4 -1.62384496 -1.27359478 4.24204455 -2.06266594 3.66894017 2.05565998 5.40819644 0.62399028 1.26038555 3.85717669 2.04156568 1.33989287 0.41488021 -0.81626714 -2.75125325 1.494E-10 3.34E-10 7.468E-10 1.67E-9 3.734E-9 8.349E-9 1.8669999999E-8 4.175E-8 9.335E-8 2.0869999999E-7 4.6669999999E-7 0.000001044 0.000002334 0.000005218 0.00001167 84776-26-1 144209927 Black cohosh Tox21_202729 -NCGC00356971-01 196724615 tox21-ror-cho-viability-p1 set3 4 0.273060203 -6.882693708 2 -4.882693708 3.5722481694 0.4111784657 0.2785443562 -3.04411371 4.74389429 1.14343216 2.78544653 0.31315184 6.55153756 -0.67496318 -1.42698804 -9.68915935 -2.70028923 -2.36804863 -13.23557809 -1.48892168 -0.15080495 1.18637921 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58654-67-4 42802 251919760 Ac 5-Methyl-2-octanone CC(=O)CCC(C)CCC Tox21_303922 -NCGC00255597-01 196728398 tox21-ror-cho-viability-p1 set3 4 0.05918333 6.32660454 2.9920593 -0.28343059 -0.37435671 -1.39039191 2.34717678 -1.22852591 0.77616428 -5.2585408 3.56299598 4.1385035 -3.48483045 8.63079725 1.38072655 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 118-47-8 67045 144212537 A A Pyrazolone T O=S(=O)(O)c1ccc(cc1)N2N=C(CC2=O)C(=O)O Tox21_302220 -NCGC00255798-01 196728408 tox21-ror-cho-viability-p1 set3 4 0.09498005 -3.09222791 -1.15086754 -0.40573148 2.56332608 1.62505939 4.45999474 1.05230166 2.98413555 0.39515442 3.01442266 -2.39057894 2.80953792 6.64752519 3.06513228 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1559-35-9 15260 144212188 A Ac 2-(2-Ethylhexyloxy)ethanol OCCOCC(CCCC)CC Tox21_301871 -NCGC00255334-01 196728416 tox21-ror-cho-viability-p1 set3 4 3.8570778872 12.8929398599 -1.3929398599 11.5 2.4063783767 0.4498375493 0.2241522173 -1.84163427 -4.69061356 0.94861405 7.04507749 7.86659115 7.64677571 -5.71658303 -10.74411655 -9.62227571 -7.72669279 10.88694212 5.5830201 13.54486969 12.19505057 10.93206454 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1197-01-9 14529 144212452 D A p-Cymen-8-ol Cc1ccc(cc1)C(O)(C)C Tox21_302135 -NCGC00255846-01 196728811 tox21-ror-cho-viability-p1 set3 4 2.71890891 -3.22721827 3.35912376 2.19273375 1.20118567 4.37232465 3.83267532 7.51774918 3.81065852 4.29925109 4.71630111 0.91541361 -0.60172784 3.84559191 0.58206634 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6425-39-4 80900 144211629 A 4,4'-(Oxydiethylene)bis(morpholine) O(CCN1CCOCC1)CCN2CCOCC2 Tox21_301312 -NCGC00255481-01 196728823 tox21-ror-cho-viability-p1 set3 4 -0.22956902 5.25852885 4.21210714 -2.14914358 -1.16965896 -0.0460593 3.60565347 -5.04368296 -0.84515191 -1.2445853 2.29752098 0.45848876 -0.91788233 1.29591432 0.69539705 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-85-2 5995 144212587 A A Testosterone propionate CCC(=O)O[C@H]2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_302270 -NCGC00258475-01 196729246 tox21-ror-cho-viability-p1 set3 -3 66.7800854761 -53.7513965936 -2.414811932 -56.1662085256 4.9549173134 0.8541502788 0.001978656 2.98446176 -3.56325639 -2.81741637 -3.88265062 -5.72367974 -5.12997685 1.20367054 2.86377185 2.86556433 0.75141256 -13.80819387 -0.33241615 -8.51796781 -5.33811634 -46.16365756 1.154E-9 2.5809999999E-9 5.772E-9 1.291E-8 2.886E-8 6.453E-8 1.443E-7 3.227E-7 7.215E-7 0.0000016129999999 0.000003607 0.000008066 0.000018039999999 0.000040329999999 0.00009018 159989-65-8 64142 144208119 A A Nelfinavir mesylate CS(=O)(=O)O.Oc1cccc(c1C)C(=O)N[C@@H](CSc2ccccc2)[C@H](O)CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C Tox21_200921 -NCGC00094521-05 196729644 tox21-ror-cho-viability-p1 set3 4 0.3437624285 -12.3192717959 -1 -13.3192717959 3.0654483358 0.3382373732 0.3305351506 2.64492857 1.90356934 -7.63577951 -4.18757181 -2.10341288 0.86207377 -2.1726464 -0.45226198 -29.01605983 -27.13132353 0 0 -9.46846932 -13.54645204 -18.15600766 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00091146-04 196729647 tox21-ror-cho-viability-p1 set3 4 -0.88342608 -25.01297203 -22.59382224 -30.68900742 -26.93832454 0 -10.61164327 -1.37524276 -2.35435824 -18.18569493 0 -2.36185954 -9.50118566 -13.07355218 -8.98359835 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00091044-02 196718229 tox21-ror-cho-viability-p1 set2 4 1.53881041 -5.68582994 -5.89720011 -4.50681267 0.3075229 -6.56947517 -2.17752201 1.4368172 -5.62485563 1.3236816 -0.6964947 -2.77691243 0.8101348 -0.05796188 -0.26073408 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.165E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00015358-18 196717832 tox21-ror-cho-viability-p1 set2 4 0.003349146 15.92423384 -14.42423384 1.5 0.5 0.8763225797 0.0009284885 -10.3535282 -7.04301738 -8.25749344 -5.48170988 -2.74101753 -1.71059948 -0.26779394 -0.33114157 -2.13206048 -0.61801462 -0.64210555 0.7717104 2.89286644 0.02922791 4.36222528 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3737-09-5 3114 170464947 A Disopyramide CC(C)N(CCC(c1ccccn1)(c2ccccc2)C(N)=O)C(C)C Tox21_110727_1 -NCGC00256860-01 196718248 tox21-ror-cho-viability-p1 set2 4 -1.25596773 0.90703042 -0.69952869 2.80792637 0.45577066 4.61609492 -1.36422711 4.54848723 5.31397394 4.39396629 6.44726902 2.50618807 1.79595773 3.38676314 2.32684464 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1438-94-4 15037 144212921 A A 1-Furfurylpyrrole c2cn(Cc1ccco1)cc2 Tox21_302604 -NCGC00258194-01 196716608 tox21-ror-cho-viability-p1 set2 4 3.8100564592 17.77621572 -7.77621572 10 0.2 0.70747739 0.0354325708 -5.99297418 -7.3135131 -2.39067246 -2.72249649 -0.95218117 -0.59334249 -2.01612026 0.53194272 -1.49071552 0.83520791 -0.59278967 0.40570531 -0.86604293 4.67172837 6.71711094 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 78-88-6 6565 144207838 AC Ac 2,3-Dichloro-1-propene C=C(Cl)CCl Tox21_200640 -NCGC00258101-01 196716175 tox21-ror-cho-viability-p1 set2 4 0.26599966 0.34607486 2.0648512 0.76556156 -0.30623519 0.42329709 0.76044704 -3.89546737 2.51418169 3.29150987 -0.12356934 1.72429339 1.29301797 2.50789234 1.26171315 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 331717-63-6 16211115 144207745 A A 1-Ethyl-3-methylimidazolium thiocyanate N#C[S-].C[n+]1ccn(CC)c1 Tox21_200547 -NCGC00258226-01 196716178 tox21-ror-cho-viability-p1 set2 4 -0.79696381 0.60696228 -1.97117777 -1.49964942 1.29685488 -3.0159659 -2.73324172 -0.89742076 -0.76616549 -1.32926715 -0.06801168 1.35867526 -1.28147056 -3.01428278 -2.73903652 1.136E-9 2.54E-9 5.679E-9 1.27E-8 2.8389999999E-8 6.349E-8 1.4199999999E-7 3.174E-7 7.098E-7 0.0000015869999999 0.000003549 0.000007936 0.000017749999999 0.00003968 0.00008873 575-43-9 11328 144207870 A Ac 1,6-Dimethylnaphthalene Cc2cccc1cc(C)ccc12 Tox21_200672 -NCGC00258706-01 196716585 tox21-ror-cho-viability-p1 set2 4 3.04455555 0.68997051 4.89501873 2.04415522 3.66947463 3.6228283 2.75267886 4.09021695 1.60148402 -0.9739318 1.74951626 4.27064223 -0.62778019 0.91235949 0.30639939 1.175E-9 2.628E-9 5.877E-9 1.314E-8 2.9389999999E-8 6.571E-8 1.469E-7 3.285E-7 7.346E-7 0.000001643 0.000003673 0.0000082129999999 0.00001837 0.00004107 0.00009183 994-05-8 61247 144208352 FC tert-Amyl methyl ether CC(C)(CC)OC Tox21_201154 -NCGC00258339-01 196716609 tox21-ror-cho-viability-p1 set2 4 4.01874678 3.30883682 4.14743898 3.09644617 2.97880781 2.98059241 2.98048578 1.24025774 2.2059353 3.02665567 2.90195808 7.98484428 1.9400745 2.84027704 3.13732354 1.172E-9 2.621E-9 5.8609999999E-9 1.31E-8 2.9299999999E-8 6.552E-8 1.465E-7 3.276E-7 7.326E-7 0.0000016379999999 0.0000036629999999 0.00000819 0.00001831 0.00004095 0.000091569999999 106-20-7 7791 144207983 A Fc 2,2'-Diethylhexylamine CCCCC(CNCC(CC)CCCC)CC Tox21_200785 -NCGC00091426-02 196717008 tox21-ror-cho-viability-p1 set2 4 0.3063785869 3.9826149159 -2.9826149159 1 3.6272481694 0.360703801 0.3119813189 -0.53779154 -0.40623969 -7.00897792 -1.50142431 0.60890993 -11.23551243 -1.64912976 -1.00793439 0.83216557 1.26284442 2.30807523 1.79937676 1.24786825 0.11734384 0.85719412 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00247734-01 196717017 tox21-ror-cho-viability-p1 set2 4 1.12769058 -4.17879659 -6.20590138 -5.97295264 2.3244343 -1.55456984 3.39139624 -0.51617471 -10.65135639 -0.7379583 0.69245155 -1.25951823 3.82275437 1.1023717 1.70120453 1.3019999999E-9 2.911E-9 6.509E-9 1.455E-8 3.255E-8 7.277E-8 1.627E-7 3.6389999999E-7 8.1359999999E-7 0.0000018189999999 0.000004068 0.000009097 0.00002034 0.000045479999999 0.00010169999999 1443-44-3 24194381 144206453 A A alpha-Methylfentanyl hydrochloride Cl.CCC(=O)N(C1CCN(CC1)C(C)Cc2ccccc2)c3ccccc3 Tox21_112900 -NCGC00253707-01 196717019 tox21-ror-cho-viability-p1 set2 4 1.98864533 1.95804041 -0.2584792 2.69535736 7.59870913 3.77348822 4.63343144 5.13399541 2.95502194 3.08527237 1.47189845 -0.13419279 1.25200519 0.96441811 0.74104697 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27469-60-9 152932 170466736 A A 1-(Bis(4-fluorophenyl)methyl)piperazine Fc1ccc(cc1)C(c2ccc(F)cc2)N3CCNCC3 Tox21_113827 -NCGC00249895-01 196717020 tox21-ror-cho-viability-p1 set2 4 0.2984929481 -5.160755792 3 -2.160755792 4.9549173134 0.7515328635 0.0194763696 2.34023011 1.76790048 0.29361634 2.65218022 3.70160553 3.65412307 3.74013989 7.02658815 -1.51114747 -2.96477102 -1.51692993 -3.88396316 -2.47444679 -1.0668987 -2.13847078 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2226-11-1 6436059 170465560 A F Bornelone CC2(C)C(=C\C=C\C(C)=O)/C1CCC2C1 Tox21_113671 -NCGC00178851-03 196717423 tox21-ror-cho-viability-p1 set2 4 0.4730794415 13.972501364 -2.972501364 11 0.2 0.4748754188 0.2034206684 -1.22708447 0.17372038 0.96778434 1.54028558 0.50245709 6.32836037 -0.01410941 4.78754775 5.23393424 5.61373509 5.70804375 -0.42828654 5.82110603 4.90935703 10.69981071 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64953-12-4 441242 170465353 F Moxalactam disodium [Na+].[Na+].O=C3N1C(=C(CO[C@@H]1[C@]3(OC)NC(=O)C(c2ccc(O)cc2)C([O-])=O)CSc4nnnn4C)C([O-])=O Tox21_110793_1 -NCGC00018113-07 196704385 tox21-ror-cho-viability-p1 set1 4 -1.57866352 1.01604702 -0.21463911 -2.2199863 -1.95234213 0.12528076 -1.29529054 0.65833609 -2.00151588 -1.91901444 -0.83744755 -1.40181969 -1.36763797 -2.62435168 -0.63592653 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1716-12-7 5258 170465108 Fc Sodium 4-phenylbutyrate [Na+].[O-]C(=O)CCCc1ccccc1 Tox21_110826_1 -NCGC00091205-03 196704373 tox21-ror-cho-viability-p1 set1 4 1.26261236 1.02505124 1.57835912 1.62659242 1.9522581 0.16994925 -1.78599562 0.41703563 -1.67533932 4.97255901 -2.62650013 -3.62809945 -2.54858097 -2.0802911 -1.26762494 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00262959-01 196704383 tox21-ror-cho-viability-p1 set1 4 3.3491459627 -17.303557744 -1.5 -18.803557744 1.4641 0.9048091414 0.0002527919 -2.9124384 -0.12976101 0.69355922 0.7366266 -3.95876234 -0.29379021 0.04220871 -6.73067973 -3.33990712 -2.65539148 -6.25729216 -10.04448798 -18.58629812 -16.7379109 -18.07641241 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104653-34-1 91771 170465892 F F Difethialone Brc1ccc(cc1)c2ccc(cc2)C4Cc3ccccc3C(C4)C5=C(O)c6ccccc6SC5=O Tox21_113950 -NCGC00024842-05 196704384 tox21-ror-cho-viability-p1 set1 4 -1.31003129 -6.00896787 -0.56685911 1.31949016 0.37146154 -0.03645954 0.72303024 -0.63135913 1.71685766 -0.69811914 0.33506542 -8.78832005 1.25747497 1.03697116 1.65613178 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 533-45-9 10783 170466516 A Clomethiazole ClCCc1scnc1C Tox21_110931_1 -NCGC00014993-12 196704795 tox21-ror-cho-viability-p1 set1 4 -2.13224619 -3.03694277 -1.76990769 -6.96946098 1.33227809 -6.79192203 -0.72327653 -0.63352363 -1.43297024 0.6825714 -3.49833986 -10.50157094 -4.40212369 -2.09350795 0.73322441 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123-99-9 2266 170465358 A Nonanedioic acid O=C(O)CCCCCCCC(=O)O Tox21_110063_1 -NCGC00258792-01 196705613 tox21-ror-cho-viability-p1 set1 4 0.30531156 1.10082016 0.68599742 -3.98895261 1.54233407 -2.1540297 -2.97786131 0.9371939 11.78298951 -5.75649759 -0.36268604 -5.83427711 -2.698403 -3.00754125 -0.08544215 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.000001671 0.0000037379999999 0.000008357 0.00001869 0.00004179 0.00009344 2550-26-7 17355 144208438 A A Benzylacetone CC(=O)CCc1ccccc1 Tox21_201240 -NCGC00259754-01 196705620 tox21-ror-cho-viability-p1 set1 4 -3.25640436 -3.9505203 -5.67328085 -3.96946764 -7.88142339 4.35515176 -1.39722353 -3.90228032 1.65399421 -13.23383455 5.88070957 -3.43683359 1.55433524 -1.6778749 -1.83991539 1.148E-9 2.567E-9 5.7409999999E-9 1.284E-8 2.87E-8 6.418E-8 1.4349999999E-7 3.209E-7 7.176E-7 0.0000016049999999 0.0000035879999999 0.000008023 0.00001794 0.00004011 0.0000897 15972-60-8 2078 144209403 A B Alachlor ClCC(=O)N(COC)c1c(cccc1CC)CC Tox21_202205 -NCGC00259182-01 196705629 tox21-ror-cho-viability-p1 set1 4 -1.4055511 1.08655306 0.80480232 -7.01817036 -6.56284205 5.87434482 -6.7471086 -13.14427244 15.07140032 0 -1.40821271 4.31810988 1.55015102 1.18448453 -0.08533991 1.1699999999E-9 2.6159999999E-9 5.851E-9 1.3079999999E-8 2.925E-8 6.5409999999E-8 1.463E-7 3.271E-7 7.3129999999E-7 0.000001635 0.000003657 0.000008176 0.00001828 0.00004088 0.00009141 83-88-5 493570 144208831 A D Riboflavin OC[C@@H](O)[C@@H](O)[C@@H](O)CN2C3=NC(=O)NC(=O)C3=Nc1cc(C)c(C)cc12 Tox21_201633 -NCGC00259356-01 196705635 tox21-ror-cho-viability-p1 set1 4 1.86346251 -2.38704257 1.1770399 3.68154632 4.43539942 -3.64255382 0.42307402 -2.01889121 4.24753522 4.36406653 0.49201373 -0.53653296 0.39946245 0.72575464 4.39663541 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.968E-8 6.6359999999E-8 1.484E-7 3.318E-7 7.4189999999E-7 0.000001659 0.0000037099999999 0.000008295 0.00001855 0.000041479999999 0.00009274 116-53-0 8314 144209005 A A 2-Methylbutanoic acid CC(CC)C(=O)O Tox21_201807 -NCGC00258819-01 196705636 tox21-ror-cho-viability-p1 set1 4 -17.14441893 -4.25876021 -10.99366555 -15.6787155 -13.34161916 -0.38072674 -5.21818636 -4.83693605 -6.07414479 -6.10107468 -6.87977069 -12.2507181 -22.8191992 -23.91428526 -15.43848992 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 0.000091709999999 20624-25-3 517546 144208465 D Sodium diethyldithiocarbamate trihydrate O.[Na+].O.O.CCN(CC)C([S-])=S Tox21_201267 -NCGC00164077-02 196701076 tox21-ror-cho-viability-p1 set1 4 0.5212754 0.81091785 1.65651163 1.43511912 1.59234706 1.63261769 0.66889795 1.04991503 0.98430845 0.02027824 2.40590605 1.7288455 -0.96040671 -0.38463754 -1.85508894 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00091253-05 196700654 tox21-ror-cho-viability-p1 set1 4 -7.30373288 -1.1073531 0.22763507 -0.77347751 -0.22814392 -2.7153233 0.71856581 0.98490411 -8.32960765 -1.97568154 0.53393382 4.87053282 -5.84096031 0.38026065 -2.23774481 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00255112-01 196700656 tox21-ror-cho-viability-p1 set1 4 61.130564862 7.2613753479 -1.2613753479 6 4.0949729863 0.5005758789 0.1840800305 -0.57138127 -3.98848588 0.35391685 -0.77593506 -1.22738139 -0.44169365 -0.03283936 -5.21781279 -0.22350256 0.04292795 -0.15927686 -0.83959832 -0.78021538 0.03445909 4.80922619 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 815-17-8 13150 144211771 A A 3,3-Dimethyl-2-oxobutyric acid CC(C)(C)C(=O)C(=O)O Tox21_301454 -NCGC00254881-01 196714677 tox21-ror-cho-viability-p1 set2 4 2.63524121 -4.72335289 2.51448232 1.68726751 -0.37399242 0.91024437 -2.79784286 -4.3760051 -2.00358815 -1.27575476 -5.21398782 -3.89453221 0.35134538 -0.58702946 0.7160281 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-12-6 8092 144211296 A A Methyl 2-octynoate O=C(C#CCCCCC)OC Tox21_300979 -NCGC00166245-04 196713846 tox21-ror-cho-viability-p1 set2 -3 33.4914596268 -41.9703619416 -1.5 -43.4703619416 4.9549173134 0.9527027009 0.0000062156 1.26000643 -2.67139575 -2.70923377 -0.28663453 1.6288524 -5.84660233 -2.2260367 0.19443416 -0.75788936 -2.12876028 -2.76407275 -3.69077678 -3.09636889 -3.05520558 -38.13189644 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1811-28-5 9849425 170466523 A Proflavin hemisulfate O=S(=O)(O)O.Nc1cc2nc3cc(N)ccc3cc2cc1.Nc1cc2nc3cc(N)ccc3cc2cc1 Tox21_112371_1 -NCGC00254608-01 196714245 tox21-ror-cho-viability-p1 set2 4 -3.75456748 -7.1663389 -3.0715864 -0.58567774 -2.58396682 -2.23252796 -9.55957698 -1.10332713 -4.3893706 -2.68008945 -0.57635641 -0.29265855 -1.90987051 -2.3796641 -16.63879437 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 5598-13-0 21803 144211017 I F Chlorpyrifos-methyl Clc1cc(Cl)c(Cl)nc1OP(=S)(OC)OC Tox21_300700 -NCGC00254592-01 196714264 tox21-ror-cho-viability-p1 set2 -2.4 61.0684034629 -32.0302508921 -3.0076871159 -35.037938008 1.4641 0.877788481 0.0008665857 -1.25640593 -1.3373759 -4.69683632 -3.77354041 -2.63069517 -1.89529603 -7.22258406 -2.25439827 -3.46723763 -2.09277982 -3.47757369 -8.88780883 -7.46069723 -10.77594352 -25.86494834 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 79983-71-4 66461 144211001 A A Hexaconazole OC(CCCC)(Cn1cncn1)c2ccc(Cl)cc2Cl Tox21_300684 -NCGC00254326-01 196714681 tox21-ror-cho-viability-p1 set2 4 -0.85616656 -1.77955817 1.12469593 -3.67323039 0.45369587 -2.28964648 -3.98314691 -5.57086976 -7.54338129 -3.16325733 -5.75644179 -0.90525026 -2.07484368 -5.37755212 -1.62232072 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25498-49-1 25054 144210688 A A Tripropylene glycol monomethyl ether COC(C)COC(C)COC(C)CO Tox21_300370 -NCGC00254925-01 196714683 tox21-ror-cho-viability-p1 set2 4 12.1971512362 -29.654307364 4.5 -25.154307364 0.2 0.6911357361 0.0423435994 0.50478647 0.63728005 3.38433479 -4.85736618 0.18761808 -6.10967569 -8.95644345 -8.09667281 -5.83292136 -3.28124821 -5.1142073 -6.80368515 -11.51579992 -11.33877667 -17.62858947 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103577-45-3 3883 144211340 D D Lansoprazole FC(F)(F)COc3ccnc(CS(=O)c1nc2ccccc2n1)c3C Tox21_301023 -NCGC00254018-01 196715082 tox21-ror-cho-viability-p1 set2 -2.4 1.3685428777 -23.824017384 -1.5 -25.324017384 1.0999999999 0.9585048105 0.0000030133 0.11429156 -2.6280115 -2.56340658 -0.68175237 -1.8183729 -3.25294713 -4.24360338 -7.92975054 -5.53133892 -16.23958351 -19.74034712 -21.59358144 -28.60334782 -22.67574513 -23.73642711 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-94-8 7031 144210599 A A Michler's ketone CN(C)c1ccc(cc1)C(=O)c2ccc(cc2)N(C)C Tox21_300279 -NCGC00091261-03 196715093 tox21-ror-cho-viability-p1 set2 4 -1.38502139 1.20029508 -1.05633489 1.97865635 3.00266784 -0.9074774 2.30772558 1.91414512 1.19980565 1.32336399 1.81437249 3.21375654 3.7040208 1.34280752 0 1.1699999999E-9 2.6159999999E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.539E-8 1.462E-7 3.269E-7 7.311E-7 0.000001635 0.0000036549999999 0.000008173 0.00001828 0.000040869999999 0.00009138 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00356962-01 196712210 tox21-ror-cho-viability-p1 set2 4 0.4855773367 13.9070144799 -13.4070144799 0.5 0.3 0.3176329346 0.3510776507 -6.39467099 -16.47616196 -12.39702738 -8.56018179 -17.0058454 0 -5.02424864 -1.20851116 -9.28334347 -13.37413516 -5.38466705 -1.34999425 0 -3.4919 -1.67617501 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 29548-30-9 94403 251919812 I Farnesyl acetate CC(=O)OCC=C(C)CCC=C(C)CC\C=C(/C)C Tox21_303761 -NCGC00260571-01 196711799 tox21-ror-cho-viability-p1 set2 4 -0.82704152 -0.48207631 -3.15660513 -5.82020622 -7.08259242 -7.50298539 -11.46321382 -0.6107803 0 -12.64522273 -1.12526495 -3.24200933 0 -11.91806495 0.54490551 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49467 144210224 M M NTP Mix79 CT1 62-EQP Tox21_203026 -NCGC00090827-04 196712194 tox21-ror-cho-viability-p1 set2 2.4 61.5037543138 29.0155127241 0.9844872759 30 3.1924983358 0.900395317 0.000317848 -0.37219872 -2.51292727 0.32087737 0.35100742 -0.95181519 -1.10613847 2.95010942 2.17128852 2.09734989 2.64915372 3.45836502 4.8971975 2.76859265 6.65016388 24.16944827 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00260580-01 196712198 tox21-ror-cho-viability-p1 set2 -2.2 13.3331902297 -50.8392136248 -5.911536468 -56.7507500928 3.9899729863 0.8492133253 0.0035504547 -4.19178238 -3.36226027 -5.34653775 -3.84098889 -2.04165687 -6.75947411 -7.31017257 -13.51816826 -10.5819916 -16.82073238 -11.59377055 0 -11.35712738 -59.11536468 -26.72341273 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49476 144210233 M M NTP Mix40 CT1 3-EQP Tox21_203035 -NCGC00179546-05 196712618 tox21-ror-cho-viability-p1 set2 4 -0.19358262 2.31440368 2.04325506 2.66742501 1.56492241 -4.33320948 -0.25628734 -0.16210474 -2.06075909 -0.01220692 -0.03502487 -2.83811979 0.58104009 0.02663346 4.69714776 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 81732-46-9 54765 170466370 A Bambuterol hydrochloride Cl.O=C(Oc1cc(cc(c1)OC(=O)N(C)C)C(O)CNC(C)(C)C)N(C)C Tox21_110702_1 -NCGC00163507-03 196725442 tox21-ror-cho-viability-p1 set3 1.2 13.3331902297 37.1532030814 -7.679699903 29.4735031784 3.1319983358 0.8829372524 0.0006992593 -6.49009556 0 -6.17371673 -6.42378788 -6.82223208 -5.67757417 -9.31456687 -9.35846764 -14.77447273 -7.62092503 -10.07919418 -3.81729535 -8.77478105 29.59228577 30.722201 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26095-59-0 72092 170466098 A Otilonium bromide [Br-].CC[N+](C)(CC)CCOC(=O)c1ccc(cc1)NC(=O)c2ccccc2OCCCCCCCC Tox21_112059_1 -NCGC00188863-02 196725435 tox21-ror-cho-viability-p1 set3 -2.1 26.6032120037 -71.5649719252 -4.031925636 -75.5968975612 3.5117481694 0.8965331671 0.0003812117 3.28153461 0 -7.56310574 -10.91813294 -1.41840364 -11.61134315 -4.63460643 -8.62084231 2.70163761 -10.86769541 3.57918245 -11.02885192 -0.46028794 -24.51727609 -66.74007391 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 141626-36-0 208898 170465064 A Dronedarone hydrochloride CCCCN(CCCC)CCCOc1ccc(cc1)C(=O)c2c3cc(ccc3oc2CCCC)NS(C)(=O)=O Tox21_113008_1 -NCGC00013683-06 196725440 tox21-ror-cho-viability-p1 set3 4 5.93034346 -1.6434808 5.15683696 -1.47105357 -0.67520539 -0.04144651 -1.99495958 0.57550243 -0.79468111 -1.70101307 -2.85122535 -0.76799344 -3.43965475 -2.40531129 -0.45592289 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 113-59-7 667466 170465069 A Chlorprothixene CN(C)CC\C=C1/c3ccccc3Sc2ccc(Cl)cc12 Tox21_110032_1 -NCGC00164127-03 196725443 tox21-ror-cho-viability-p1 set3 -2.1 61.130564862 -117.8717095576 -4.014086756 -121.8857963136 2.5334283767 0.9594556621 0.0000026402 0 2.80314308 -10.51864293 -11.7402763 -0.3246485 0.79783221 -1.00629899 -10.7766548 -2.02607185 -1.75832411 -10.33739226 -2.81582728 -13.00327286 -34.04647881 -92.33772448 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00090705-15 196725844 tox21-ror-cho-viability-p1 set3 4 0.3757803576 7.07276668 -4.57276668 2.5 4.9549173134 0.3499333266 0.320092893 -9.01071462 -2.77650087 5.04146449 -11.08766335 -7.17221441 5.67633603 -11.3106389 -7.78510853 -0.95815034 5.05288963 4.63657628 -0.14787064 0.78367792 2.68500563 2.60217127 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7481-89-2 24066 170465128 Z 2',3'-Dideoxycytidine NC1=NC(=O)N(C=C1)[C@H]2CC[C@@H](CO)O2 Tox21_113491_1 -NCGC00257736-01 196730482 tox21-ror-cho-viability-p1 set3 -3 67.6838457892 -101.5628777201 -2.1587227999 -103.72160052 4.9549173134 0.9518771828 0.0000068119 -4.67117128 0.43590587 -5.07188379 -5.61537425 -5.0939033 -4.7402874 -5.04542018 0.02160189 -7.56318288 -0.73388025 -1.2637854 -0.53697221 -1.92664008 5.1525609 -86.4346671 1.167E-9 2.6109999999E-9 5.837E-9 1.305E-8 2.919E-8 6.5259999999E-8 1.459E-7 3.2629999999E-7 7.297E-7 0.0000016319999999 0.000003648 0.0000081579999999 0.000018239999999 0.000040789999999 0.000091209999999 56296-78-7 62857 144207380 A A Fluoxetine hydrochloride Cl.FC(F)(F)c2ccc(OC(CCNC)c1ccccc1)cc2 Tox21_200182 -NCGC00257729-01 196730057 tox21-ror-cho-viability-p1 set3 4 4.21504095 0.18896141 0.83128779 1.20777779 2.65254125 2.68754969 0.67163439 2.78571467 1.80203375 4.40526845 4.44711139 4.41592808 0.53496399 0.47519268 0.40446623 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 99-48-9 7438 144207373 I I Carveol CC(=C)C1CC=C(C)C(O)C1 Tox21_200175 -NCGC00258480-01 196730476 tox21-ror-cho-viability-p1 set3 4 1.44968579 -6.93217271 2.9461646 -5.47340588 -6.36330386 -6.15136956 -0.43987608 3.39921148 -4.83631771 -13.08218516 0 0 0.87020518 2.40277966 2.59143001 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.0000016719999999 0.0000037379999999 0.000008358 0.00001869 0.00004179 0.00009344 25168-26-7 61286 144208124 Ac Ac 2,4-D isooctyl ester Clc1cc(Cl)ccc1OCC(=O)OCC(CC)CCCC Tox21_200926 -NCGC00257920-01 196730473 tox21-ror-cho-viability-p1 set3 4 22.2868517452 8.806999256 1.193000744 10 3.9899729863 0.7384999296 0.023559815 0.79894762 0.66781655 -0.37811098 6.80404398 1.90017365 0.87932018 -0.67249938 1.42432956 0.74844913 1.41784043 1.96876244 0.22525861 3.97683092 10.21621143 9.01595494 1.2069999999E-9 2.7E-9 6.037E-9 1.3499999999E-8 3.0179999999E-8 6.75E-8 1.509E-7 3.375E-7 7.546E-7 0.000001687 0.000003773 0.0000084369999999 0.00001887 0.00004218 0.00009433 80-39-7 6637 144207564 A A N-Ethyl-4-methylbenzenesulfonamide Cc1ccc(cc1)S(=O)(=O)NCC Tox21_200366 -NCGC00257742-01 196730497 tox21-ror-cho-viability-p1 set3 -2.2 57.9739284787 -71.3629200398 -3.205486783 -74.5684068228 2.1876167061 0.9584236745 0.0000030399 0.18089589 -6.98682445 -7.5752427 -6.70384122 -0.68006568 0.16290942 -3.90484344 -0.5990216 -5.08310123 -1.22095538 0.56365054 -4.09856305 -11.49922716 -23.03426698 -56.49121729 1.129E-9 2.525E-9 5.646E-9 1.263E-8 2.823E-8 6.313E-8 1.412E-7 3.156E-7 7.058E-7 0.000001578 0.0000035289999999 0.000007891 0.00001764 0.00003945 0.000088219999999 609-19-8 11859 144207386 A A 3,4,5-Trichlorophenol Oc1cc(Cl)c(Cl)c(Cl)c1 Tox21_200188 -NCGC00257521-01 196719933 tox21-ror-cho-viability-p1 set3 4 10.64758051 12.33593266 1.22886461 -3.95149905 7.66874302 6.58308869 6.22481754 12.42174421 6.46831759 -1.14066797 6.26189421 2.28149819 6.5211621 -2.88102203 4.35059127 1.3339999999E-9 2.982E-9 6.668E-9 1.491E-8 3.334E-8 7.455E-8 1.6669999999E-7 3.728E-7 8.3349999999E-7 0.000001864 0.000004168 0.000009319 0.00002084 0.0000466 0.0001042 100-55-0 7510 144211156 AC Ac Nicotinyl alcohol OCc1cccnc1 Tox21_300839 -NCGC00254091-01 196719930 tox21-ror-cho-viability-p1 set3 -1.2 8.0673303429 -35.7660787965 16.4303166675 -19.335762129 2.4729283767 0.9198846868 0.0001040803 13.85796686 6.29290412 17.06681975 18.81388424 21.16072355 14.75961177 24.13135934 19.12887768 13.35700754 16.78122869 10.86754171 -0.38726951 -14.39380707 -21.58990733 -16.06083806 1.115E-9 2.493E-9 5.574E-9 1.246E-8 2.7869999999E-8 6.2319999999E-8 1.394E-7 3.1159999999E-7 6.9679999999E-7 0.000001558 0.000003484 0.00000779 0.00001742 0.00003895 0.000087099999999 NOCAS_47379 60196408 144210575 A A SSR126768 Cl.CCN(Cc1cccnc1)C(=O)c2cccc(Cl)c2[C@@]5(C)c3cc(Cl)ccc3N(Cc4ccc(OC)cc4OC)C5=O Tox21_300255 -NCGC00254070-01 196719932 tox21-ror-cho-viability-p1 set3 -2.2 61.130564862 -67.1996821475 2.5022371845 -64.697444963 2.3031167061 0.9292925592 0.0000541896 6.96604757 -0.02236338 11.0369902 2.13228032 0.60953172 2.0494136 0.68837592 0.41422596 4.74419607 3.10276553 4.83400704 -0.19019136 -8.48750294 -13.14472684 -48.91826611 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 288104-79-0 9849616 144210559 A A Surinabant O=C(NN1CCCCC1)c4nn(c2ccc(Cl)cc2Cl)c(c3ccc(Br)cc3)c4CC Tox21_300239 -NCGC00254357-01 196719935 tox21-ror-cho-viability-p1 set3 4 0.0243365162 9.316711628 -10.316711628 -1 4.9549173134 0.6810961833 0.0473686879 -5.63875407 -8.79122046 -12.26991244 -13.59725969 -3.48918503 -0.63360837 -0.52112342 -5.02209238 -2.00021705 -1.76750951 -4.09018395 -0.39104803 -2.4596035 0.6715454 4.46888569 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 34590-94-8 22833331 144210887 F Dipropylene glycol monomethyl ether COCCCOC(O)CC Tox21_300570 -NCGC00253677-01 196717835 tox21-ror-cho-viability-p1 set2 4 0.1333319023 5.784792432 -4.284792432 1.5 4.9549173134 0.65381793 0.0626397363 -5.32016083 -6.84546279 0.2058082 -5.61387883 -0.37184267 -5.82880466 -7.32066036 0.2411106 2.38888153 2.84015925 2.61143731 0.40477875 -0.23004298 0.80371018 1.99864728 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23680-84-4 90235 170466738 A A 4-Amino-2-chloro-6,7-dimethoxyquinazoline Nc2nc(Cl)nc1cc(OC)c(cc12)OC Tox21_113801 -NCGC00167467-03 196717433 tox21-ror-cho-viability-p1 set2 4 21.1316824289 10.23949302 -7.23949302 3 3.1319983358 0.3386748355 0.3318382838 -11.80979917 -9.53149837 -14.78291085 -7.3902461 -1.71584947 -7.09219596 -6.91365373 -1.69530849 -1.25825685 -10.86214215 -8.37389701 -7.84119762 -7.01289507 -2.20358034 1.90902926 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50700-72-6 39764 170465295 A Vecuronium bromide [Br-].C[N+]1(CCCCC1)[C@H]6C[C@@H]5[C@](C)(CC[C@H]2[C@H]5CC[C@H]3C[C@H](OC(C)=O)[C@H](C[C@]23C)N4CCCCC4)[C@H]6OC(C)=O Tox21_112471_1 -NCGC00091205-03 196717435 tox21-ror-cho-viability-p1 set2 4 0.0016266799 11.883988596 -11.383988596 0.5 0.7 0.603594681 0.0960864741 -8.65332383 -2.73049586 -3.75105935 -1.71959548 -1.71001464 0.17648463 -3.1483457 -0.4175156 -0.42254384 3.44063054 4.83312853 0.07226168 -0.7226933 -0.24140116 -0.7944451 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00016089-06 196717436 tox21-ror-cho-viability-p1 set2 4 2.91888797 3.9494782 -0.47141735 4.06710261 5.74672034 4.33640458 6.00436003 4.84366781 -1.24278563 3.68027738 -0.543379 3.82176574 2.20222402 -1.72610106 3.50539108 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2444-46-4 2998 170466476 A Nonivamide Oc1ccc(cc1OC)CNC(=O)CCCCCCCC Tox21_110302_1 -NCGC00015254-20 196717838 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -21.625896116 1 -20.625896116 4.5044702849 0.9099920459 0.0001920573 0.38336037 0.63687763 1.94915975 3.14402117 2.1601185 3.77600423 -0.51865886 2.72644517 -0.75415294 -0.07119819 -0.30997395 0.12873557 0.01038273 -1.15069936 -16.35491343 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5786-21-0 2818 170464853 A Clozapine CN1CCN(CC1)C2=Nc4cc(Cl)ccc4Nc3ccccc23 Tox21_110113_1 -NCGC00015400-05 196717858 tox21-ror-cho-viability-p1 set2 4 -0.66403089 -0.73493318 0.53289358 5.45924621 3.76963882 6.35591219 5.35331026 6.10811357 2.66105999 4.84916593 6.16793498 1.86210619 0.66161943 -0.40099927 1.75678462 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77671-31-9 53708 170466419 A Enoximone O=C(C=1NC(=O)NC=1C)c2ccc(SC)cc2 Tox21_110137_1 -NCGC00256890-01 196718249 tox21-ror-cho-viability-p1 set2 4 -0.24869266 0.47401969 -2.36126289 -1.20392016 -0.15213598 0.86240731 0.89165604 -1.33087701 0.76896719 0.91266806 -1.41582348 -1.73090656 0.49314435 -1.57623376 -3.05378895 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 541-47-9 10931 144212792 B 3,3-Dimethylacrylic acid C\C(C)=C/C(=O)O Tox21_302475 -NCGC00091044-02 196718671 tox21-ror-cho-viability-p1 set2 4 -3.159682 0.90506332 -2.2969459 -2.18271842 -0.97350035 -8.9568191 -2.25522565 -1.78627928 -0.9814825 -1.29181472 -2.69272196 0.8448212 -4.83817734 -1.17107919 -6.29055179 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.165E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00163771-03 196706873 tox21-ror-cho-viability-p1 set1 4 0.019331182 13.597811012 -13.097811012 0.5 0.7 0.6056189528 0.0931937229 -12.16484251 -8.91942434 -9.16606792 -9.59468975 -0.10609313 -4.63830912 -7.57483189 -2.2629793 6.30295576 0 1.94407393 -5.54120322 3.98655819 -0.24643186 -0.8078317 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00259388-01 196706874 tox21-ror-cho-viability-p1 set1 4 7.01546702 10.34313262 1.44578991 3.90687615 5.7649881 0.01491394 -1.83065986 2.00224574 0.21039967 14.58164617 0.80959526 0.21214398 0.57238 1.21711057 -0.42658232 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.962E-8 6.622E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 50594-66-6 44073 144209037 A Z Acifluorfen Clc2cc(ccc2Oc1cc(C(=O)O)c(cc1)[N+]([O-])=O)C(F)(F)F Tox21_201839 -NCGC00357088-01 196703143 tox21-ror-cho-viability-p1 set1 4 -2.04384575 -2.87860267 -3.30548533 -9.10684188 -4.73059604 0.340333 -3.55017477 1.02800873 -1.54794907 -9.45539598 -0.91612914 -6.54601429 -10.42027438 0.6529114 -0.83135473 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 628-81-9 12355 251919932 Fns 1-Ethoxybutane CCOCCCC Tox21_303804 -NCGC00258491-01 196702318 tox21-ror-cho-viability-p1 set1 4 0.0121351581 -6.622715496 -1.5 -8.122715496 1.6266150999 0.3228507681 0.3473861685 -2.1966511 -2.9167874 1.09436478 -10.29286308 -2.71161593 -7.26534549 -13.01892958 -8.53516886 -2.17173562 -6.55554663 -3.73632396 -12.05837682 -8.13650665 -8.78230497 -10.45779939 1.175E-9 2.628E-9 5.875E-9 1.314E-8 2.938E-8 6.569E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.00004106 0.0000918 89-69-0 6983 144208135 A Ac 2,4,5-Trichloronitrobenzene Clc1cc([N+]([O-])=O)c(Cl)cc1Cl Tox21_200937 -NCGC00257793-01 196702332 tox21-ror-cho-viability-p1 set1 4 1.26381664 -1.49196245 -0.24099483 5.65004209 3.96490571 1.9989545 5.16031082 4.65661917 2.92974152 5.55873078 5.95532734 -0.33642816 4.19127846 1.11226096 0.83522732 1.135E-9 2.539E-9 5.6769999999E-9 1.27E-8 2.8389999999E-8 6.348E-8 1.419E-7 3.174E-7 7.097E-7 0.0000015869999999 0.0000035479999999 0.000007934 0.000017739999999 0.00003967 0.00008871 8065-48-3 24723 144207437 Z Z Demeton CCOP(=O)(OCC)SCCSCC Tox21_200239 -NCGC00258582-01 196702727 tox21-ror-cho-viability-p1 set1 4 8.5647193025 -15.72001888 -1.5 -17.22001888 3.1319983358 0.7275183037 0.0341557986 3.60979876 -1.6099319 -5.33946367 -2.88238856 -3.83787344 -1.05324985 -4.11048089 -7.7314368 5.11446991 -0.34295829 -1.8354676 -8.87554747 -17.2666824 -15.76646657 -3.99327799 1.172E-9 2.621E-9 5.862E-9 1.311E-8 2.931E-8 6.554E-8 1.465E-7 3.277E-7 7.327E-7 0.0000016379999999 0.000003664 0.000008192 0.00001832 0.00004096 0.00009159 123-62-6 31263 144208227 A A Propanoic anhydride CCC(=O)OC(=O)CC Tox21_201029 -NCGC00260078-01 196703151 tox21-ror-cho-viability-p1 set1 4 2.73360021 -2.09025459 -3.88178461 -1.03306835 -8.31430932 -5.53945612 -5.92294735 -1.73575854 4.99512065 -5.96396215 2.51318533 11.39263602 -0.14374987 0.76616957 1.45957081 1.27E-9 2.841E-9 6.3519999999E-9 1.42E-8 3.1759999999E-8 7.102E-8 1.588E-7 3.551E-7 7.94E-7 0.0000017749999999 0.00000397 0.000008877 0.00001985 0.00004439 0.00009925 105-06-6 66041 144209727 A Ac 1,4-Divinylbenzene C=Cc1ccc(C=C)cc1 Tox21_202529 -NCGC00260614-01 196703154 tox21-ror-cho-viability-p1 set1 4 6.62976015 -0.21003284 4.95226613 2.77256374 -5.42624369 2.68624477 1.55999782 5.56289709 5.82290709 0.78459912 1.05332597 -4.8804595 2.28936302 10.24978202 9.13138033 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49510 144210267 M M NTP Mix17 AR1 8-EQC Tox21_203069 -NCGC00260259-01 196703163 tox21-ror-cho-viability-p1 set1 4 0.87391118 -0.20206715 -0.22901993 -4.64362158 -6.32071111 -4.7805064 -0.45324483 -1.23661353 -5.61549994 1.09157626 -0.1630297 -0.61880732 -0.38001717 1.22704338 1.11192562 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.000018429999999 0.0000412 0.000092129999999 NOCAS_49390 60196396 144209909 A A 1-Methyl-1-propylpyrrolidinium trifluoromethanesulfonate C[N+]1(CCC)CCCC1.FC(F)(F)S([O-])(=O)=O Tox21_202711 -NCGC00260644-01 196703558 tox21-ror-cho-viability-p1 set1 4 -0.11973305 -0.39184271 2.3666206 -0.11268427 0.19289985 2.73874992 -3.52369893 -0.18972328 -1.86147995 -3.87125024 0.72201948 5.74681396 2.58801326 -3.52269993 2.72089238 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49540 144210297 M M NTP Mix85 ER AR1 18-EQC Tox21_203099 -NCGC00260299-01 196703560 tox21-ror-cho-viability-p1 set1 4 -0.49294213 -0.29092898 -0.77295758 -3.3220775 -4.30931377 0.37098762 5.17933974 0.61637224 -2.55523809 -3.41517511 -0.70169053 0.04574907 -2.51400053 0.87603871 -5.73170554 1.188E-9 2.657E-9 5.942E-9 1.3289999999E-8 2.971E-8 6.6429999999E-8 1.4849999999E-7 3.3219999999E-7 7.427E-7 0.0000016609999999 0.000003714 0.000008304 0.00001857 0.00004152 0.00009284 5421-46-5 21534 144209949 Ac Ac Ammonium thioglycolate [NH4+].[O-]C(=O)CS Tox21_202751 -NCGC00260105-01 196703571 tox21-ror-cho-viability-p1 set1 4 -3.12459617 2.37559564 0.11684382 0.11501067 -0.46865738 -2.98633272 -1.68059235 -4.01550767 -4.58766098 -0.29768266 -1.56050586 -2.88224544 -5.7729756 2.73795911 -1.44563272 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.00001842 0.0000412 0.00009212 121-60-8 8481 144209754 F C 4-(Acetylamino)benzenesulfonyl chloride O=S(Cl)(=O)c1ccc(NC(C)=O)cc1 Tox21_202556 -NCGC00260333-01 196703982 tox21-ror-cho-viability-p1 set1 4 2.00102541 4.454497 1.81937736 -4.40602962 1.97418129 -0.26424525 -4.33084751 5.40517058 -1.1979535 -17.01994448 2.55469799 1.04356446 1.90289193 4.06709196 1.20344257 1.194E-9 2.6689999999E-9 5.968E-9 1.3339999999E-8 2.9839999999E-8 6.672E-8 1.4919999999E-7 3.3359999999E-7 7.4599999999E-7 0.000001668 0.00000373 0.00000834 0.00001865 0.0000417 0.000093249999999 14698-29-4 4628 144209985 A A Oxolinic acid O=C(O)C2=CN(CC)c1cc3OCOc3cc1C2=O Tox21_202787 -NCGC00091759-02 196715125 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -8.2472172159 1 -7.2472172159 4.9549173134 0.471281326 0.2110814458 0.13200328 -0.109038 0.47845332 1.80738143 0.20698053 2.2105845 -0.00540218 -0.1400163 0.00549008 5.34436756 1.57253311 -1.40663282 2.52714964 0.61501405 -4.78934768 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00091839-03 196714696 tox21-ror-cho-viability-p1 set2 4 43.2771256911 -21.9820273679 0 -21.9820273679 2.0478617061 0.8381319447 0.0032005184 0.68202214 -1.32585614 0.43500209 2.29118064 -6.02578551 -0.45240526 -0.20465399 0.03434443 1.77661773 2.24761235 -2.59116261 2.76311056 -4.67984703 -9.97148615 -18.31835614 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00254941-01 196714700 tox21-ror-cho-viability-p1 set2 4 12.1971512362 -14.138485728 0.5 -13.638485728 0.6 0.5020489567 0.1940952308 0.89725546 -0.20604289 -0.33398732 1.28110929 1.93584385 2.21490158 -7.88532665 1.38744742 -0.39111267 -1.03602375 -9.44090044 0.16117358 -8.87899071 -10.53207144 1.02281028 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-61-0 7710 144211356 A A gamma-Nonanolactone O=C1CCC(CCCCC)O1 Tox21_301039 -NCGC00254709-01 196715113 tox21-ror-cho-viability-p1 set2 -2.1 61.130564862 -83.3442448721 0.9524092829 -82.3918355892 3.6272481694 0.9945882296 0 -0.77534185 2.92271336 1.49689621 0.58161987 2.3033915 1.76793854 0.05484811 0.30559044 -1.23055395 -0.06380268 0.56377794 3.51239536 -0.28108166 -15.38979428 -66.96351181 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2312-35-8 4936 144211122 I I Propargite CC(C)(C)c1ccc(cc1)OC2CCCCC2OS(=O)OCC#C Tox21_300805 -NCGC00258322-01 196715520 tox21-ror-cho-viability-p1 set2 4 -0.55202707 2.0964245 6.06619897 3.44836641 2.50728021 3.05123291 0.78559006 4.18885169 -0.1861043 3.7524389 -7.06819498 3.74896132 0.47528339 1.30439253 0.59201938 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.65E-8 1.487E-7 3.325E-7 7.435E-7 0.000001663 0.000003718 0.000008313 0.00001859 0.00004156 0.000092939999999 304680-36-2 2734243 144207966 A A 1-Methyl-3-octylimidazolium hexafluorophosphate F[P-](F)(F)(F)(F)F.C[n+]1ccn(CCCCCCCC)c1 Tox21_200768 -NCGC00258505-01 196715521 tox21-ror-cho-viability-p1 set2 4 -1.71524574 -0.5263958 1.21009733 -1.01019314 -1.92631145 -3.93856353 -3.77290014 -3.84817665 1.2079418 -2.43237071 -2.06345948 -3.15863104 -0.74408914 -0.74247674 0.4525608 1.1989999999E-9 2.6819999999E-9 5.997E-9 1.3409999999E-8 2.999E-8 6.705E-8 1.4989999999E-7 3.352E-7 7.496E-7 0.000001676 0.000003748 0.000008381 0.000018739999999 0.00004191 0.00009371 1984-58-3 16125 144208150 A Ac 2,5-Dichloroanisole COc1cc(Cl)ccc1Cl Tox21_200952 -NCGC00091088-05 196715535 tox21-ror-cho-viability-p1 set2 4 4.18115602 3.47164283 -0.81694015 1.31402197 3.318661 2.39164816 1.46709928 1.89206267 3.04550138 -0.93522026 1.42713002 0.12082915 1.91745029 -5.57463498 0.52723482 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00257945-01 196715537 tox21-ror-cho-viability-p1 set2 4 -0.86958726 -1.55815832 -2.81339355 -3.3064527 0.4459866 -0.67313866 -0.60669319 -1.70417638 0.38857126 3.28774872 0.51457976 0.16136769 -1.05713986 4.80481309 -1.44313431 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 62476-59-9 44072 144207589 A F Acifluorfen-sodium [Na+].Clc2cc(ccc2Oc1cc(C([O-])=O)c(cc1)[N+]([O-])=O)C(F)(F)F Tox21_200391 -NCGC00258377-01 196715540 tox21-ror-cho-viability-p1 set2 4 60.013278633 -11.208421804 3 -8.208421804 3.2974983358 0.6510369296 0.0649651449 4.82683841 2.82368844 6.95499972 1.34675732 3.11867706 2.29030979 4.10143824 2.66706066 4.08704777 0.24167601 1.38875006 3.69927603 0.37716528 0.97871735 -6.00701817 1.162E-9 2.599E-9 5.811E-9 1.299E-8 2.9059999999E-8 6.4969999999E-8 1.453E-7 3.249E-7 7.264E-7 0.000001624 0.000003632 0.000008122 0.00001816 0.00004061 0.0000908 90-13-1 7003 144208021 A Ac 1-Chloronaphthalene Clc2cccc1ccccc12 Tox21_200823 -NCGC00260029-01 196711392 tox21-ror-cho-viability-p1 set2 4 -2.86381129 0.25915099 -6.5766748 -4.30791027 -6.60020271 -11.72643324 -19.66182781 -1.06423795 0.61912797 -4.0732115 -11.00297855 -12.43210181 -26.05936816 -5.34079365 -21.57302553 1.095E-9 2.4489999999E-9 5.477E-9 1.225E-8 2.739E-8 6.124E-8 1.369E-7 3.062E-7 6.846E-7 0.0000015309999999 0.000003423 0.000007655 0.00001712 0.00003827 0.000085579999999 67-64-1 180 144209678 FC Acetone CC(C)=O Tox21_202480 -NCGC00257546-01 196710983 tox21-ror-cho-viability-p1 set2 2.4 76.9588215421 22.8598889399 -2.8598889399 20 4.9549173134 0.6958900296 0.0401543577 -3.73370488 -4.73342045 -10.29990745 -2.17265577 -2.05289453 -3.11191964 -4.45095387 0.16377021 1.55074179 -2.30501635 -2.743981 -2.38400076 1.90423868 -3.52903715 14.45299541 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1122-58-3 14284 144212501 A N,N-dimethylpyridin-4-amine CN(C)c1ccncc1 Tox21_302184 -NCGC00255747-01 196710992 tox21-ror-cho-viability-p1 set2 4 0.001120594 -21.74002363 -8.32947098 -2.94539588 0.18055539 -3.87397213 1.05567368 -3.15291232 -2.45942386 -3.28740454 -3.17962654 -2.36221339 2.2929492 -2.73030477 -3.1507379 -5.51916641 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 2687-91-4 17595 144212457 A Fc 1-Ethyl-2-pyrrolidinone O=C1CCCN1CC Tox21_302140 -NCGC00357242-01 196711387 tox21-ror-cho-viability-p1 set2 4 -0.33798974 -1.030245 0.32448019 3.99781702 -0.78505954 -0.44046686 3.36652444 3.70390576 4.92629637 0.05628051 3.32093534 5.55884751 0.85256559 -1.10451099 -4.07222643 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 603-36-1 11777 251919914 A Triphenylstibine c1ccccc1[Sb](c2ccccc2)c3ccccc3 Tox21_304035 -NCGC00259388-01 196709668 tox21-ror-cho-viability-p1 set2 4 -0.73719655 -0.20912425 -2.21813727 2.87714634 0.08399891 0.36893511 -0.5683064 -0.72311601 -0.65541728 -1.36544115 -0.52320991 0.00626762 -1.0121911 -0.11786228 0.0996962 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.962E-8 6.622E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 50594-66-6 44073 144209037 A Z Acifluorfen Clc2cc(ccc2Oc1cc(C(=O)O)c(cc1)[N+]([O-])=O)C(F)(F)F Tox21_201839 -NCGC00258786-01 196709271 tox21-ror-cho-viability-p1 set2 4 -0.52634645 -5.0408432 -3.35441671 -2.49894849 -5.13327719 -0.98510563 -4.71291122 -1.6716555 -1.43130114 -3.35312727 0.40573438 -4.05341348 -3.90067021 -4.58519015 -3.93089059 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.000018359999999 0.000041049999999 0.000091779999999 17804-35-2 28780 144208432 A A Benomyl O=C(OC)Nc2nc1ccccc1n2C(=O)NCCCC Tox21_201234 -NCGC00259472-01 196709272 tox21-ror-cho-viability-p1 set2 4 0.0229823814 6.7680177921 -10.760688544 -3.9926707519 4.9549173134 0.5128697399 0.1680514658 -9.43709153 -8.84060003 -11.28057353 -14.38390712 -2.04776728 -1.92275246 -2.49237778 -8.46063149 -2.87322785 -9.43820991 -1.66055896 -2.21593883 -8.53152728 -3.04438325 -2.14892797 1.363E-9 3.048E-9 6.8149999999E-9 1.524E-8 3.408E-8 7.62E-8 1.704E-7 3.81E-7 8.5189999999E-7 0.000001905 0.00000426 0.000009525 0.0000213 0.000047619999999 0.0001065 15708-41-5 27461 144209121 FNS Ethylenediaminetetraacetic acid ferric sodium salt [Fe+3].[Na+].[O-]C(=O)CN(CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O Tox21_201923 -NCGC00259007-01 196709275 tox21-ror-cho-viability-p1 set2 -3 69.5673070586 -82.2740596866 -0.732325745 -83.0063854316 4.9549173134 0.9763352846 1.253E-7 2.76228432 -4.33554488 -3.61202045 4.46104679 -2.07607995 -2.12803269 1.92418398 -0.05806958 -2.84219804 -2.02931933 -0.18911008 0.52940912 -3.35092352 -2.93307207 -67.86221066 1.194E-9 2.6689999999E-9 5.968E-9 1.3339999999E-8 2.9839999999E-8 6.672E-8 1.4919999999E-7 3.3359999999E-7 7.4599999999E-7 0.000001668 0.00000373 0.00000834 0.00001865 0.0000417 0.00009324 3147-75-9 62485 144208654 A Z Octrizole CC(C)(C)CC(C)(C)c1cc(c(O)cc1)n2nc3ccccc3n2 Tox21_201456 -NCGC00259079-01 196709676 tox21-ror-cho-viability-p1 set2 -1.1 27.444923243 -80.3426569051 1.6248926655 -78.7177642396 4.5044702849 0.9889235845 1.5E-9 -0.15309728 1.00359757 0.38115077 0.56883669 0.48201385 1.24924779 2.18034327 7.93021497 -0.46766671 8.36708371 -0.52387977 -0.29616149 -8.63426024 -66.83827758 -79.13506298 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.962E-8 6.622E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 119-47-1 8398 144208727 A A 2,2'-Methylenebis(4-methyl-6-tert-butylphenol) CC(C)(C)c2cc(C)cc(Cc1cc(C)cc(c1O)C(C)(C)C)c2O Tox21_201529 -NCGC00259700-01 196709677 tox21-ror-cho-viability-p1 set2 4 -0.34977232 -0.12610308 -1.15798916 -2.69739395 1.5595983 -0.03876079 -0.86889354 -1.08911537 0.02287147 -1.27206374 -1.17621911 -0.93793215 1.32146191 -0.04483804 0.48975021 1.1609999999E-9 2.5959999999E-9 5.805E-9 1.298E-8 2.9019999999E-8 6.4899999999E-8 1.451E-7 3.245E-7 7.256E-7 0.000001622 0.000003628 0.000008112 0.00001814 0.00004056 0.0000907 759-73-9 12967 144209349 FNS 1-Ethyl-1-nitrosourea NC(=O)N(CC)N=O Tox21_202151 -NCGC00259972-01 196709690 tox21-ror-cho-viability-p1 set2 4 -1.8493726 -2.50158552 -3.06858971 -3.74841946 1.76344987 -4.76266684 -0.12253285 -2.74308709 0.47510521 -4.41892883 -1.89057972 -2.21660226 -2.80007097 -10.5628762 -7.03284986 1.182E-9 2.644E-9 5.9109999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.305E-7 7.3889999999E-7 0.0000016519999999 0.0000036949999999 0.000008261 0.000018469999999 0.00004131 0.000092359999999 55589-62-3 11074431 144209621 A A Acesulfame potassium [K+].CC1=CC(=O)[N-]S(=O)(=O)O1 Tox21_202423 -NCGC00256195-01 196710099 tox21-ror-cho-viability-p1 set2 4 3.57908983 4.10713037 2.01240933 1.34612563 3.12127761 2.09845296 -1.40478342 0.51514549 -0.75871634 2.04813973 -0.01827667 1.82409816 3.62142199 -0.96778924 0.44843267 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6837-24-7 81278 144211784 A A 1-Cyclohexylpyrrolidin-2-one O=C2CCCN2C1CCCCC1 Tox21_301467 -NCGC00259673-01 196708880 tox21-ror-cho-viability-p1 set2 4 8.05190925 2.97576096 3.77278981 2.87307013 0.0597156 4.57818157 8.21631763 6.31486945 4.61428457 3.73548023 6.38960887 5.4743154 7.53433493 6.67003983 5.52081209 1.189E-9 2.6589999999E-9 5.946E-9 1.3289999999E-8 2.973E-8 6.647E-8 1.486E-7 3.3239999999E-7 7.4319999999E-7 0.000001662 0.000003716 0.000008309 0.000018579999999 0.000041549999999 0.0000929 112-53-8 8193 144209322 A A 1-Dodecanol CCCCCCCCCCCCO Tox21_202124 -NCGC00259579-01 196708862 tox21-ror-cho-viability-p1 set2 -1.2 21.5797018461 -57.513378853 -1.078603582 -58.591982435 1.98874246 0.9906433119 6E-10 0.53690311 0.08560464 0.47278236 0.67042926 -4.23899891 -2.86334748 -0.32053883 0.88078807 -3.78869382 0.25352431 -4.27886919 -8.59917151 -24.06437308 -47.08415624 -54.90524775 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003673 0.0000082119999999 0.000018359999999 0.00004106 0.000091819999999 101-20-2 7547 144209228 A A Triclocarban Clc2ccc(NC(=O)Nc1ccc(Cl)cc1)cc2Cl Tox21_202030 -NCGC00259733-01 196708876 tox21-ror-cho-viability-p1 set2 4 -2.42633383 -0.34195212 0.85353289 0 1.07382907 -2.33404822 -0.76125331 -3.24141618 -1.00452282 -4.11355123 -37.48580253 -1.63394053 -3.62646436 -0.68535902 1.04261767 1.1999999999E-9 2.684E-9 6.002E-9 1.3419999999E-8 3.0009999999E-8 6.711E-8 1.501E-7 3.355E-7 7.5029999999E-7 0.0000016779999999 0.0000037519999999 0.0000083889999999 0.00001876 0.000041939999999 0.00009379 79277-27-3 73674 144209382 C C Thifensulfuron-methyl O=S(=O)(NC(=O)Nc1nc(C)nc(OC)n1)c2ccsc2C(=O)OC Tox21_202184 -NCGC00259801-01 196708878 tox21-ror-cho-viability-p1 set2 4 0.55049783 0.41573652 1.35425446 -0.02164988 -1.05230571 1.00222645 -0.69944314 1.37170966 -0.79674553 1.53689731 0.68637316 1.8160936 3.24709692 0.65416392 0.97806178 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 527-60-6 10698 144209450 A A 2,4,6-Trimethylphenol Cc1cc(C)c(O)c(C)c1 Tox21_202252 -NCGC00259339-01 196709298 tox21-ror-cho-viability-p1 set2 4 0.6021733 2.86693862 5.65395054 1.90863609 1.00473209 -0.6647108 4.05146796 -0.0212137 1.31258441 1.62819997 2.88473419 4.27422525 4.62269654 4.07507294 1.56837394 1.167E-9 2.609E-9 5.8339999999E-9 1.305E-8 2.917E-8 6.523E-8 1.459E-7 3.261E-7 7.2929999999E-7 0.000001631 0.000003646 0.000008154 0.00001823 0.00004077 0.000091159999999 112-52-7 8192 144208988 AC Fns 1-Chlorododecane CCCCCCCCCCCCCl Tox21_201790 -NCGC00259965-01 196709284 tox21-ror-cho-viability-p1 set2 4 30.3265518896 -18.98443416 0 -18.98443416 0.8999999999 0.8259734209 0.0044199302 -0.83215975 -0.38990475 0.79731988 1.65868764 0.55537272 0.16459435 0.87697769 -0.43934164 0.88405623 -7.37034408 -0.38042004 -5.98857536 -4.60501983 -10.46877483 -15.8203618 1.1699999999E-9 2.617E-9 5.851E-9 1.3079999999E-8 2.925E-8 6.5409999999E-8 1.463E-7 3.271E-7 7.314E-7 0.000001635 0.000003657 0.000008177 0.00001828 0.00004088 0.00009142 90-94-8 7031 144209614 A A Michler's ketone CN(C)c1ccc(cc1)C(=O)c2ccc(cc2)N(C)C Tox21_202416 -NCGC00259800-01 196709289 tox21-ror-cho-viability-p1 set2 4 1.66608828 0.32826128 0.54143951 1.66672292 -0.92905329 2.373659 0.63771006 1.36958382 -0.58173235 0.32150568 -0.51886465 0.36519537 2.25587999 1.45347746 -0.39377507 1.188E-9 2.657E-9 5.942E-9 1.3289999999E-8 2.971E-8 6.6429999999E-8 1.4849999999E-7 3.3219999999E-7 7.427E-7 0.0000016609999999 0.000003714 0.000008304 0.00001857 0.00004152 0.00009284 111-64-8 8124 144209449 D Caprylyl chloride ClC(=O)CCCCCCC Tox21_202251 -NCGC00258988-01 196709698 tox21-ror-cho-viability-p1 set2 4 1.63599143 0.36774976 2.22541744 0.70122402 1.09180994 1.31270095 2.37892097 0.99982742 0.80444178 -0.23783146 0.77350266 3.94406661 3.49238799 3.77387902 2.87847809 1.182E-9 2.6429999999E-9 5.91E-9 1.322E-8 2.955E-8 6.608E-8 1.4779999999E-7 3.304E-7 7.388E-7 0.0000016519999999 0.0000036939999999 0.0000082599999999 0.000018469999999 0.000041299999999 0.00009235 25498-49-1 25054 144208635 A A Tripropylene glycol monomethyl ether COC(C)COC(C)COC(C)CO Tox21_201437 -NCGC00259105-01 196709706 tox21-ror-cho-viability-p1 set2 4 -0.13671076 0.81260889 0.75451915 -13.19327961 -0.33225968 -1.61379733 -0.09888638 -1.20747632 -1.61247697 -1.31557296 1.08045276 1.1074094 -1.79676905 -0.53825006 -0.89115206 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.593E-8 1.474E-7 3.297E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009214 86-29-3 6837 144208754 A A Diphenylacetonitrile N#CC(c1ccccc1)c2ccccc2 Tox21_201556 -NCGC00259559-01 196709708 tox21-ror-cho-viability-p1 set2 4 1.27867447 1.97040886 1.58145281 3.35081694 2.16108306 -0.68517157 0.22427924 1.80151076 0.47140739 -0.19833508 2.30013758 1.71300217 1.07660215 3.33304777 3.70501255 1.188E-9 2.657E-9 5.941E-9 1.3279999999E-8 2.971E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016609999999 0.000003713 0.000008303 0.00001857 0.000041509999999 0.000092829999999 579-66-8 11369 144209208 A Fc 2,6-Diethylaniline CCc1cccc(CC)c1N Tox21_202010 -NCGC00259643-01 196709718 tox21-ror-cho-viability-p1 set2 4 -2.47299751 -1.80423414 -3.36564081 -2.5085684 2.35684399 -2.77191093 -0.65088985 -1.09611772 -1.05231935 -0.05335719 1.74336585 -1.03862769 2.19126301 2.63886806 2.87577056 1.2169999999E-9 2.7209999999E-9 6.0849999999E-9 1.361E-8 3.0429999999E-8 6.804E-8 1.521E-7 3.402E-7 7.607E-7 0.0000017009999999 0.000003803 0.0000085039999999 0.000019019999999 0.00004252 0.000095079999999 66-27-3 4156 144209292 D Methyl methanesulfonate CS(=O)(=O)OC Tox21_202094 -NCGC00255504-01 196710116 tox21-ror-cho-viability-p1 set2 4 -2.07702924 -10.35259893 -2.57196835 -3.20478556 0.14766751 0.12511013 -5.09267535 -7.9337773 -1.05938107 -5.93118833 -2.5333319 0.81371749 -3.85465262 -4.13919207 -12.66872466 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7718-54-9 24385 144212492 Nickel(II) chloride Cl[Ni]Cl Tox21_302175 -NCGC00091426-02 196710117 tox21-ror-cho-viability-p1 set2 4 -2.78359847 4.30012551 3.87764589 3.42042711 5.97887191 5.99575282 0.37811526 2.49187472 5.30317695 1.34141224 1.42386907 0.93830653 2.02407678 0.13052642 3.38426173 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00255500-01 196710123 tox21-ror-cho-viability-p1 set2 4 -3.38736757 -0.2863029 0.41347423 -1.71561818 0.09559456 0.26907419 -2.89293821 -4.79254347 0.10272345 -2.51992183 -1.9353312 -1.83525491 -6.31536961 -2.30680403 -0.24049558 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-36-9 222464 144212400 A B N-(2,4-Dimethylphenyl)-3-oxobutanamide O=C(Nc1ccc(C)cc1C)CC(C)=O Tox21_302083 -NCGC00255474-01 196710155 tox21-ror-cho-viability-p1 set2 4 -10.58305558 -2.73784118 -2.36340295 -3.77682989 -5.40602084 -3.60664637 -6.05353033 -6.75228901 -3.04178655 -3.05706721 -5.91258731 0.10103603 -0.36290303 -6.16073863 -3.27718343 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60397-77-5 92363 144211759 A A N-(2,4-Dimethylphenyl)formamide O=CNc1ccc(C)cc1C Tox21_301442 -NCGC00256229-01 196710137 tox21-ror-cho-viability-p1 set2 4 2.07808917 0.54201799 3.45689453 2.65896938 1.88057978 2.19598795 0.60365985 3.3580261 -1.14938508 -0.51436406 0.73447408 0.60748682 -1.74941344 1.61749654 0.90811925 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13047-13-7 92238 144212117 A C 4-(Hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one O=C1NN(CC1(C)CO)c2ccccc2 Tox21_301800 -NCGC00016000-13 196710142 tox21-ror-cho-viability-p1 set2 4 0.3135586261 -14.8609184159 5.5 -9.3609184159 0.9999999999 0.918115247 0.0001173685 3.71915369 8.85290986 4.12813847 3.18777576 4.56677668 2.64990553 -0.07867572 0.08627918 -6.16282775 -7.39339538 -8.81210362 -8.60670975 -5.04293669 -11.13409868 -9.92977192 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00255850-01 196710149 tox21-ror-cho-viability-p1 set2 4 -0.17005454 1.22805257 -1.45708931 -0.75738638 -0.6258653 3.64794199 0.22509736 -1.0475872 -1.3682022 0.74648571 1.34085524 2.90788934 0.49315757 3.0207795 -0.52761595 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18854-01-8 29307 144212526 A A Isoxathion S=P(Oc1cc(on1)c2ccccc2)(OCC)OCC Tox21_302209 -NCGC00257256-01 196708072 tox21-ror-cho-viability-p1 set1 4 76.9588215421 12.7795532279 -0.7795532279 12 4.9549173134 0.6470374558 0.0673071806 -2.55075948 2.66302621 1.57123384 -1.46239531 -1.39713695 0.90803339 0.70239252 -2.60034961 -1.15664335 -0.76103841 0.94899761 -3.14962769 -3.04774015 -0.11628749 8.52510838 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-99-4 7360 144213705 A Tetrahydrofurfuryl alcohol OCC1CCCO1 Tox21_303393 -NCGC00257413-01 196708056 tox21-ror-cho-viability-p1 set1 -2.1 27.3060203028 -83.4313227841 0.5309045559 -82.9004182282 2.6384283767 0.9963729415 0 -0.55794614 0.9428201 -1.67143692 2.47729928 2.92583853 1.51959834 0.71952267 -1.19063855 0.01363126 0.02075844 1.20744782 -1.99883091 -21.92369348 -59.42844543 -81.76511591 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27193-86-8 171144 144213676 Z F Dodecylphenol Oc1ccccc1CCCCCCCCCCCC Tox21_303360 -NCGC00091044-02 196708060 tox21-ror-cho-viability-p1 set1 4 -7.91134734 -9.58182231 -2.81414177 1.45914199 2.17135783 1.27083291 -0.06823393 -1.49614342 -7.94686765 -8.42210654 -0.67476748 -11.48466641 -17.54508861 1.44100675 -0.75617165 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00256443-01 196708070 tox21-ror-cho-viability-p1 set1 4 68.5896218971 16.6313625919 -2.1313625919 14.5 4.9549173134 0.4630977483 0.2127104296 7.08346624 -0.69895156 -0.83506486 -5.92350124 0.15467866 -6.67791816 -0.76912682 -2.81650909 -1.45437307 -4.34273066 -3.0004913 1.19293725 -8.44280216 -0.64649194 11.16957482 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 105-55-5 2735009 144213273 A A N,N'-Diethylthiourea CCNC(=S)NCC Tox21_302956 -NCGC00090704-03 196708073 tox21-ror-cho-viability-p1 set1 4 13.6854287769 9.5623244199 -5.0623244199 4.5 4.9549173134 0.3850840295 0.286367298 -0.28158773 -7.551451 -8.09843184 -12.13527035 1.0333154 -8.98244423 0.94591125 1.29537152 -8.29954487 -0.81078226 -11.74777134 -8.16665967 5.10206789 4.71018227 2.41305903 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00189077-01 196725552 tox21-ror-cho-viability-p1 set3 4 0 -11.45137581 -6.48943237 3.17959109 -6.71571587 3.95615875 -6.84577705 1.2860721 -3.46904923 -1.39113754 0.00686013 -6.31082842 -3.44158375 -6.87761183 3.87133432 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77-41-8 6476 144207162 A A Methsuximide CC1(CC(=O)N(C)C1=O)c2ccccc2 Tox21_113613 -NCGC00258264-01 196729652 tox21-ror-cho-viability-p1 set3 4 -0.08097732 -2.84527208 0.78735786 -3.27297295 0.21006677 -0.43094008 0.2372744 -2.64988516 2.56462578 2.89392251 -0.06316949 -0.20132113 0.50863689 -0.56082113 -0.14729732 1.1989999999E-9 2.6809999999E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.701E-8 1.4979999999E-7 3.351E-7 7.492E-7 0.000001675 0.000003746 0.000008377 0.00001873 0.00004188 0.00009365 50-32-8 2336 144207908 F Benzo(a)pyrene c1cc2c3ccc4cccc5ccc(cc2cc1)c3c45 Tox21_200710 -NCGC00258764-01 196729661 tox21-ror-cho-viability-p1 set3 4 -0.3545902 -2.95607319 -2.04809791 -0.81720446 0.31371349 -0.43084951 0.85536956 -1.14952165 0.17495585 -3.67819429 0.797991 -2.52615075 -3.75242762 -5.06769013 -0.55124905 1.171E-9 2.617E-9 5.8529999999E-9 1.3089999999E-8 2.926E-8 6.543E-8 1.463E-7 3.2719999999E-7 7.316E-7 0.0000016359999999 0.000003658 0.0000081789999999 0.00001829 0.0000409 0.00009145 434-22-0 9904 144208410 A A Nandrolone O=C4CC[C@H]3C(CC[C@@H]1[C@@H]3CC[C@]2(C)[C@@H](O)CC[C@@H]12)=C4 Tox21_201212 -NCGC00258108-01 196729664 tox21-ror-cho-viability-p1 set3 4 -6.47328255 -3.57348514 -0.40288411 -5.0164941 -5.85678423 -0.02328734 0.67334487 -5.72756059 -2.94044118 -0.6493364 0.06659647 0.74958957 -2.21096787 -4.6520638 -14.38932688 1.133E-9 2.533E-9 5.6629999999E-9 1.2659999999E-8 2.832E-8 6.332E-8 1.416E-7 3.1659999999E-7 7.0789999999E-7 0.000001583 0.00000354 0.000007915 0.0000177 0.000039569999999 0.000088489999999 79-97-0 6620 144207752 A A 3,3'-Dimethylbisphenol A Cc1cc(ccc1O)C(C)(C)c2ccc(O)c(C)c2 Tox21_200554 -NCGC00260119-01 196724737 tox21-ror-cho-viability-p1 set3 4 0.0247082215 5.6184025279 -4.6184025279 1 4.9549173134 0.4128677996 0.2777557058 -3.46216418 -5.99865017 -1.2343527 -8.01533544 0.08745219 3.19703093 0.25621593 5.3883032 -4.15639901 -2.20383264 6.54064172 2.67761124 1.59071623 -2.31566925 -6.10951688 1.195E-9 2.6729999999E-9 5.976E-9 1.336E-8 2.988E-8 6.682E-8 1.494E-7 3.341E-7 7.4709999999E-7 0.0000016699999999 0.000003735 0.000008352 0.000018679999999 0.000041759999999 0.000093379999999 68391-01-5 8755 144209768 D Quaternary ammonium compounds, benzyl-C12-18-alkyldimethyl, chlorides [Cl-].C[N+](C)(Cc1ccccc1)CCCCCCCCCCCCCC Tox21_202570 -NCGC00159380-05 196725138 tox21-ror-cho-viability-p1 set3 4 0.0943917582 6.3582153559 -0.3582153559 6 4.9549173134 0.4002782487 0.289051609 -1.7507591 3.41457786 -0.49529997 5.14029046 -1.70139391 -3.63184613 -1.74926136 13.92787766 6.3267517 3.35685994 3.81009766 1.44306905 4.25231241 9.83373458 -2.63995435 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-36-0 7187 170464986 F Benzoyl peroxide O=C(OOC(=O)c1ccccc1)c2ccccc2 Tox21_111619_1 -NCGC00015149-16 196725148 tox21-ror-cho-viability-p1 set3 4 0.0421632496 8.3642468961 0.1357531039 8.5 3.9294729863 0.5447426369 0.1560569355 0.68779034 -0.30238673 4.82237448 -2.80353908 0.5734054 0.00200685 14.16677945 11.25826182 8.14650932 15.34580456 5.45028803 5.95478129 5.694884 3.77887292 -0.58694747 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 28395-03-1 2471 170464735 A Bumetanide O=S(N)(=O)c2cc(cc(NCCCC)c2Oc1ccccc1)C(=O)O Tox21_110088_1 -NCGC00025355-12 196725554 tox21-ror-cho-viability-p1 set3 1.4 6.6824247267 22.1888474761 1.8111525239 24 3.1319983358 0.8090115203 0.0092908158 2.27616435 2.26571644 1.5100135 -0.99070623 0.77161359 -0.39056479 1.1401548 9.36227083 0.21751875 8.23374834 0.73748429 1.67284404 20.4668682 22.17564359 15.24579884 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61869-08-7 43815 170465075 A Paroxetine Fc1ccc(cc1)[C@@H]4CCNC[C@H]4COc2ccc3OCOc3c2 Tox21_113123_1 -NCGC00093588-04 196725558 tox21-ror-cho-viability-p1 set3 4 -2.15767852 -1.39539112 2.54175426 5.26518084 4.84955775 2.42549968 7.80978776 3.04314244 0.67106007 1.99681355 5.84903896 2.52149577 2.30937558 -0.6174311 -1.07493186 5.899E-11 1.319E-10 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 60-92-4 6076 170466839 A cAMP Nc4ncnc3c4ncn3[C@@H]2O[C@@H]1COP(=O)(O)O[C@H]1[C@H]2O Tox21_113510_1 -NCGC00016255-10 196725565 tox21-ror-cho-viability-p1 set3 4 2.5152661 0.0138311 3.53340598 2.70532181 5.66414939 -0.52329904 0.08818292 -0.99705294 -0.6665139 -0.33657026 -0.56614155 -0.50997011 -3.24793533 0.69171637 2.89408793 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-96-5 5342 170464677 A Sulfinpyrazone O=C4C(CCS(=O)c1ccccc1)C(=O)N(c2ccccc2)N4c3ccccc3 Tox21_110331_1 -NCGC00025122-02 196725572 tox21-ror-cho-viability-p1 set3 -1.4 0.0105909295 -19.0161992439 -0.516709552 -19.5329087959 4.9549173134 0.6451064141 0.0787608025 -4.15135054 0.94558086 0 0 -17.20381735 -39.22151466 -16.79929868 -16.42478321 -21.53177494 -16.71810101 -20.59380698 -14.03118811 -14.83388931 -13.87653387 16.87500793 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77257-42-2 6433339 170466614 A Stilonium iodide [I-].CC[N+](CCOc1ccc(cc1)/C=C/c2ccccc2)(CC)CC Tox21_111247_1 -NCGC00256515-01 196726388 tox21-ror-cho-viability-p1 set3 4 8.6349217992 -6.0569450279 1 -5.0569450279 4.4494702849 0.6117028983 0.1044313311 1.91603751 0.99884317 1.60123401 -0.32190327 2.17730554 -1.04146368 -0.07625927 1.84950112 2.62213932 1.30520114 1.34830113 -1.33279877 -8.79745419 -1.40048664 2.00844722 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-25-8 4021 144213136 A C 1-Phenyl-3-methyl-5-pyrazolone O=C2CC(C)=NN2c1ccccc1 Tox21_302819 -NCGC00094908-06 196717427 tox21-ror-cho-viability-p1 set2 4 0.54117135 -3.1027002 -0.05495425 -2.7501727 -3.09449334 0.76550874 -0.74457685 1.37805059 -1.48090638 -1.10173746 -2.00321048 -2.19634399 -1.6586138 -2.87271065 -6.41309717 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-47-2 4059 170466586 Ac Mephenesin OCC(O)COc1ccccc1C Tox21_111356_1 -NCGC00247692-01 196717424 tox21-ror-cho-viability-p1 set2 4 0.506820382 -5.9814821 4 -1.9814821 4.9549173134 0.5123062998 0.1685686465 1.53538127 3.20370756 3.06986694 5.28314504 4.7608101 4.53682454 5.82989847 5.4489652 -7.1095985 0.24223653 1.25550642 0.18152366 0.22566493 -8.31790175 0.51031567 1.346E-9 3.01E-9 6.73E-9 1.505E-8 3.365E-8 7.5249999999E-8 1.683E-7 3.7619999999E-7 8.413E-7 0.0000018809999999 0.000004206 0.000009406 0.00002103 0.00004703 0.0001052 60676-84-8 118031 144206395 A A 1-(7-Methoxy-1,3-benzodioxol-5-yl)propan-2-amine hydrochloride Cl.CC(N)Cc1cc2OCOc2c(c1)OC Tox21_112842 -NCGC00164593-02 196717432 tox21-ror-cho-viability-p1 set2 4 0.0943917582 5.525296148 -5.025296148 0.5 1.692447691 0.5415151308 0.1441654663 0.86760949 -9.18774679 -7.09678575 -4.81347715 -6.90249844 -1.08101281 -4.976879 -0.13945354 -0.38110329 0.98365111 -0.06961998 1.31840028 -0.36434526 0.20755021 0.37943295 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 76420-72-9 37888454 170464938 A Enalapril acid OC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N[C@H](CCc1ccccc1)C(=O)O Tox21_113430_1 -NCGC00091468-02 196717456 tox21-ror-cho-viability-p1 set2 4 5.5425928923 4.387759504 -3.387759504 1 4.9549173134 0.401807421 0.2912015497 -2.71989702 -2.40660466 -9.07313292 -2.17580917 -2.08235409 -2.10908892 -1.06114383 -3.42284683 -7.0054328 -1.30859317 -3.47856945 0.81859382 0.13523219 1.62645977 -1.55857834 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00258479-01 196701484 tox21-ror-cho-viability-p1 set1 4 0.0027444923 -13.1648110881 -0.2859875199 -13.450798608 2.7202212143 0.5585516603 0.1291630032 -1.9049896 -4.70017427 -15.32981886 -11.84777668 -11.65724645 -10.27489752 -21.20899884 -14.10921035 -12.07133413 -9.94926713 -12.43796488 -16.17764361 -16.8247491 -12.60079572 -10.14349699 1.185E-9 2.649E-9 5.923E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 103-84-4 904 144208123 A A Acetanilide O=C(C)Nc1ccccc1 Tox21_200925 -NCGC00255830-01 196700661 tox21-ror-cho-viability-p1 set1 -2.4 27.3060203028 -22.6446998799 0.5 -22.1446998799 4.9549173134 0.9791423875 6.09E-8 1.87391435 0.62397094 0.65574641 0.98266206 -0.95151074 0.43447081 1.10418234 3.049017 0.03540801 -0.83683117 1.22212317 -0.93952344 -1.35999707 -19.53026555 -21.7872499 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-45-4 5356010 144212486 A A Dimethylglyoxime C/C(=N\O)C(\C)=N\O Tox21_302169 -NCGC00091351-03 196701080 tox21-ror-cho-viability-p1 set1 4 -4.99784348 -7.03809739 -7.11665732 -5.59410866 -7.25064738 -2.79460455 -4.37624516 -6.62172956 -1.61482894 -3.03655715 -5.52934626 -0.50090931 -1.64460514 -0.4760619 2.5099211 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00258496-01 196701483 tox21-ror-cho-viability-p1 set1 4 6.3250275877 -18.311288252 -1.5 -19.811288252 0.4 0.4769612656 0.2164361189 -0.15344308 -5.32843701 -0.1149776 1.62438213 -6.33824268 -6.43002706 -13.32918721 -7.00431571 1.71591523 -4.44130753 -14.01829707 -9.70841013 -13.98713067 -14.84274021 -1.91554508 1.214E-9 2.7139999999E-9 6.07E-9 1.357E-8 3.035E-8 6.786E-8 1.517E-7 3.393E-7 7.587E-7 0.000001697 0.000003794 0.000008483 0.00001897 0.000042409999999 0.000094839999999 110-88-3 8081 144208140 A Ac 1,3,5-Trioxane C1OCOCO1 Tox21_200942 -NCGC00258531-01 196701489 tox21-ror-cho-viability-p1 set1 4 22.4198633436 9.6293472919 -8.6293472919 1 3.0654483358 0.4078705824 0.265042601 -9.76405908 -2.02495515 -7.88240508 -4.71415399 -15.10778941 -5.74517573 -14.89217838 -10.7912442 -7.12206848 -7.35202731 -13.61178394 -4.94829168 -6.33223732 1.78974754 -0.99185888 1.213E-9 2.7119999999E-9 6.064E-9 1.3559999999E-8 3.0319999999E-8 6.78E-8 1.516E-7 3.39E-7 7.58E-7 0.000001695 0.0000037899999999 0.000008475 0.00001895 0.00004238 0.00009476 91-84-9 4992 144208176 A A Pyrilamine COc1ccc(cc1)CN(CCN(C)C)c2ccccn2 Tox21_200978 -NCGC00090701-06 196701496 tox21-ror-cho-viability-p1 set1 4 2.9836801 5.10850616 0.70947094 3.89898732 -2.36109086 4.58783019 0.80517875 0.08863152 3.12252281 -2.17131643 0.47978112 0.94526032 2.29567624 0.01560867 4.50078582 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00257699-01 196701896 tox21-ror-cho-viability-p1 set1 4 3.49514497 2.31649469 1.45923163 2.22174779 -0.61722947 4.53834862 8.02849715 10.14369794 6.73048194 2.22634722 6.12266243 1.26560035 4.26287261 3.6870607 -0.63978897 1.182E-9 2.644E-9 5.9109999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.305E-7 7.3889999999E-7 0.0000016519999999 0.0000036949999999 0.000008261 0.000018469999999 0.00004131 0.000092359999999 50-99-7 5793 144207343 FNS D-Glucose O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1O Tox21_200145 -NCGC00258028-01 196701905 tox21-ror-cho-viability-p1 set1 4 -4.2208469 3.56144998 0.3053221 1.34146867 3.65457039 0.58025526 10.03308021 1.53912333 3.33614262 3.7929663 4.92541146 2.83826212 9.72441428 0.33283507 1.45588997 1.148E-9 2.568E-9 5.7419999999E-9 1.284E-8 2.8709999999E-8 6.4199999999E-8 1.436E-7 3.21E-7 7.1779999999E-7 0.0000016049999999 0.000003589 0.000008025 0.00001794 0.000040119999999 0.00008972 1603-41-4 15348 144207672 A A 5-Methylpyridin-2-amine Cc1cnc(N)cc1 Tox21_200474 -NCGC00258699-01 196701911 tox21-ror-cho-viability-p1 set1 4 67.1274458943 -22.385690464 1 -21.385690464 4.4494702849 0.7327731244 0.0251953449 3.21621492 0.33075017 0.99440124 5.24989368 0.29503783 2.43373121 3.31708453 2.56499594 1.29781002 -7.48756189 0.32254423 0.71519663 1.31821252 -1.17333375 -16.57140872 1.159E-9 2.592E-9 5.7959999999E-9 1.2959999999E-8 2.898E-8 6.48E-8 1.449E-7 3.24E-7 7.245E-7 0.00000162 0.000003623 0.000008101 0.000018109999999 0.000040499999999 0.00009057 103-16-2 7638 144208345 Ac Ac 4-(Benzyloxyl)phenol Oc2ccc(OCc1ccccc1)cc2 Tox21_201147 -NCGC00255566-01 196700263 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -12.8024255519 0 -12.8024255519 4.9549173134 0.6351843752 0.0742883179 1.16382101 0.95942619 0.07552609 -0.28287919 -0.20766494 2.86467111 -0.8445459 -0.42326719 1.31553925 0.7305819 -5.24817162 0.98919598 -3.85810195 0.24892437 -10.66868796 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2642-71-9 17531 144211738 A A Azinphos-ethyl CCOP(=S)(OCC)SCN1N=Nc2ccccc2C1=O Tox21_301421 -NCGC00254255-01 196699841 tox21-ror-cho-viability-p1 set1 4 -3.81940532 -0.93395983 -1.17890722 -2.62827453 -0.44397204 -2.00363676 -2.17642344 1.32597115 -0.30367103 -1.67484241 -3.48529094 -0.54730781 -0.22513513 -0.2121096 0.83515734 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-55-8 8437 144210840 A A Diethylene glycol dibenzoate O=C(OCCOCCOC(=O)c1ccccc1)c2ccccc2 Tox21_300522 -NCGC00254991-01 196699844 tox21-ror-cho-viability-p1 set1 4 0.00559175 -0.46375752 1.16641952 0.04159276 1.92241191 0.65535427 -1.08032636 2.13414803 3.80490383 0.63560584 0.58612572 -0.92644513 2.03855177 1.17629053 0.8249042 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122836-35-5 86369 144211408 A A Sulfentrazone CS(=O)(=O)Nc1cc(c(Cl)cc1Cl)N2N=C(C)N(C2=O)C(F)F Tox21_301091 -NCGC00090750-04 196713451 tox21-ror-cho-viability-p1 set2 4 -0.32547992 -1.36748932 -1.42228748 0.75740194 3.53646235 2.36122347 1.30138934 2.56308388 0.21024203 -2.76432863 -1.8628086 -0.10989894 -0.63241921 0.19748252 0.50601093 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00091635-09 196713031 tox21-ror-cho-viability-p1 set2 4 0.0008412674 9.2406142359 -8.2406142359 1 2.6384283767 0.5730376677 0.1207900168 -5.61717853 -0.64742219 -1.03823241 1.81663902 1.21495261 -0.86785018 0.87810523 0.651367 0.67272823 0.07212232 -0.00828832 4.14900078 0.69679253 2.66028066 4.45981221 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55-38-9 3346 170466807 A Fenthion Cc1cc(ccc1SC)OP(=S)(OC)OC Tox21_111157_1 -NCGC00015131-05 196713035 tox21-ror-cho-viability-p1 set2 4 3.73079824 6.01980997 3.41065313 4.20989391 -0.43833676 1.49400596 2.17828554 -0.02957974 2.9119052 0.89635863 1.77123133 0.64225898 0.93350521 2.328532 0.86674715 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 36067-72-8 169743 170466333 Z Azepexole hydrochloride Cl.Cl.CCN1CCc2oc(N)nc2CC1 Tox21_111214_1 -NCGC00016547-08 196713044 tox21-ror-cho-viability-p1 set2 4 -3.31822856 -2.85710907 -7.68316738 -0.85489463 -4.04531169 -1.96898597 -1.02694397 -5.02832852 -4.2035764 -3.59373355 1.32683755 -1.6860941 0.2668807 -2.62727192 -12.854611 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 882-09-7 2797 170466427 Ac Clofibric acid Clc1ccc(OC(C)(C)C(=O)O)cc1 Tox21_110486_1 -NCGC00015590-06 196713463 tox21-ror-cho-viability-p1 set2 4 -5.49050641 -1.70344305 2.76642148 0.86385566 -0.50684177 -4.2776844 0.2428593 -1.26117845 -3.61886961 -2.90730381 -0.0492474 -7.84811495 -0.03127304 -5.77582877 -0.99357078 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 105431-72-9 3932 170466342 A Linopirdine O=C4N(c1ccccc1C4(Cc2ccncc2)Cc3ccncc3)c5ccccc5 Tox21_110177_1 -NCGC00254775-01 196714274 tox21-ror-cho-viability-p1 set2 4 -1.69373812 0.26027902 -1.36731876 -0.67231422 -0.80329782 -2.97258195 0.63847607 -0.41749346 2.15118 -0.0039495 0.18934593 0.53057947 -0.03506568 0.30461656 -3.62835637 1.344E-9 3.005E-9 6.719E-9 1.5019999999E-8 3.359E-8 7.512E-8 1.68E-7 3.7559999999E-7 8.398E-7 0.0000018779999999 0.000004199 0.000009389 0.000021 0.00004695 0.00010499999999 149877-41-8 176879 144211188 A A Bifenazate COc1ccc(cc1NNC(=O)OC(C)C)c2ccccc2 Tox21_300871 -NCGC00255005-01 196714272 tox21-ror-cho-viability-p1 set2 4 1.46643934 0.90830252 1.39368201 1.37230563 0.10588989 2.46732654 1.16964743 0.88429936 0.91232671 0.05634505 0.94237912 1.14387761 5.39046731 0.38148987 2.15726004 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3397-62-4 18831 144211422 A A 2-Chloro-4,6-diamino-1,3,5-triazine Nc1nc(N)nc(Cl)n1 Tox21_301105 -NCGC00253941-01 196714276 tox21-ror-cho-viability-p1 set2 4 0.0385707789 -6.1640507 -0.5 -6.6640507 4.0949729863 0.6736677007 0.0516927472 2.58852776 -3.98544242 -0.39988291 -0.22254511 -2.08284219 -5.58090978 -9.48948343 -9.72004225 -7.18885049 -7.81940562 -5.650158 -5.09064463 -3.90820121 -4.89918453 -6.46766054 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1143-38-0 2202 144210610 FNS Anthralin Oc2cccc1Cc3cccc(O)c3C(=O)c12 Tox21_300290 -NCGC00259217-01 196709725 tox21-ror-cho-viability-p1 set2 4 1.79986576 2.23887028 0.23636909 0.72048028 1.17412228 2.17186323 1.4830019 0.59743342 -0.33595284 1.33932706 2.47327368 3.03646079 1.54139237 3.03941155 0.17999001 1.188E-9 2.657E-9 5.942E-9 1.3289999999E-8 2.971E-8 6.6429999999E-8 1.4849999999E-7 3.3219999999E-7 7.427E-7 0.0000016609999999 0.000003714 0.000008304 0.00001857 0.00004152 0.00009284 553-26-4 11107 144208866 A A 4,4'-Bipyridine c1cc(ccn1)c2ccncc2 Tox21_201668 -NCGC00259722-01 196708904 tox21-ror-cho-viability-p1 set2 4 -1.89343263 1.33257853 -1.88485417 -8.87590221 -0.85710098 -2.73825328 -1.68075048 -1.48375418 -1.98826803 -3.51817196 -1.74183726 -3.31409234 -1.33045477 -0.56708835 0.49609094 1.2009999999E-9 2.686E-9 6.007E-9 1.3429999999E-8 3.003E-8 6.716E-8 1.5019999999E-7 3.358E-7 7.509E-7 0.000001679 0.000003754 0.0000083949999999 0.000018769999999 0.00004197 0.00009386 111-71-7 8130 144209371 AC Fns Heptanal CCCCCCC=O Tox21_202173 -NCGC00259954-01 196709309 tox21-ror-cho-viability-p1 set2 4 0.54519603 2.32373614 3.99286397 -0.25122084 1.02363885 -0.43308872 2.07458134 0.73397644 -0.35367983 0.28434644 0.35210448 2.13376626 0.86921191 1.54948358 0.1919553 1.187E-9 2.6549999999E-9 5.937E-9 1.3279999999E-8 2.968E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.421E-7 0.000001659 0.0000037109999999 0.000008297 0.00001855 0.00004149 0.00009276 77-92-9 311 144209603 A A Citric acid OC(=O)CC(O)(CC(O)=O)C(=O)O Tox21_202405 -NCGC00094521-05 196709325 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -42.772907856 1 -41.772907856 4.5044702849 0.9449670423 0.0000142232 2.01646757 -1.76601878 1.01417199 4.89373843 0.34061115 -0.2252818 -0.6990375 2.94217268 -0.8940834 3.91465671 -1.88702511 -1.56400942 2.61009828 -2.87861069 -33.14408988 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00259132-01 196709737 tox21-ror-cho-viability-p1 set2 4 1.94776969 0.68362163 -1.57829154 -3.28336449 -0.22001264 -4.82191254 1.45100988 -5.86571792 -3.78430462 2.47143539 -1.85492377 -5.16606755 -1.96359441 -3.42960248 -1.25202452 1.154E-9 2.5809999999E-9 5.772E-9 1.291E-8 2.886E-8 6.454E-8 1.443E-7 3.227E-7 7.215E-7 0.0000016129999999 0.000003608 0.000008067 0.000018039999999 0.00004034 0.000090189999999 112-07-2 8160 144208781 A A 2-Butoxyethyl acetate O=C(C)OCCOCCCC Tox21_201583 -NCGC00259206-01 196709738 tox21-ror-cho-viability-p1 set2 4 1.97477474 1.91650345 3.50942181 2.17013896 0.94471435 3.02470925 -0.82040559 -0.38587602 0.25996268 3.53533381 -1.31881889 -0.68901535 3.33144752 -1.165977 3.9558568 1.146E-9 2.562E-9 5.7289999999E-9 1.281E-8 2.865E-8 6.405E-8 1.4319999999E-7 3.203E-7 7.1609999999E-7 0.000001601 0.0000035809999999 0.000008007 0.000017899999999 0.00004003 0.00008952 134-20-3 8635 144208855 A A Methyl 2-aminobenzoate Nc1ccccc1C(=O)OC Tox21_201657 -NCGC00091146-04 196726827 tox21-ror-cho-viability-p1 set3 -2.4 38.5707788719 -26.355223432 1 -25.355223432 1.9673362061 0.9606145958 0.0000022652 0.24268205 2.99936189 0.9687761 2.3262655 1.91510002 0.72921523 -0.34543926 0.51536655 -1.67036887 1.53372359 0.33833894 -2.21113945 -2.34483202 -13.70230268 -21.12935286 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00256901-01 196726812 tox21-ror-cho-viability-p1 set3 4 0.92433985 2.72444745 0.32155815 2.78423087 2.84318115 0.58838982 0.49638251 1.8731238 -2.20192314 -0.87245609 1.96891394 5.70115831 4.97179081 6.11512857 1.94801295 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-37-5 6533 144212952 A F Linalyl cinnamate C/C(C)=C\CCC(C)(C=C)OC(=O)C=Cc1ccccc1 Tox21_302635 -NCGC00254462-01 196726822 tox21-ror-cho-viability-p1 set3 4 34.3762428541 -9.223121884 -0.5 -9.723121884 4.9549173134 0.6612115894 0.0585614 0.32161155 1.24396331 -0.81284531 -6.45659762 -2.24834212 0.49525541 0.59666164 1.88426333 -1.75488438 -0.30735397 1.3557482 -0.8647971 -0.51047747 -7.39696014 -9.35260157 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-47-8 8434 144210653 A A Ethylparaben Oc1ccc(cc1)C(=O)OCC Tox21_300335 -NCGC00256884-01 196726826 tox21-ror-cho-viability-p1 set3 4 3.8570778872 6.3327986719 -2.8327986719 3.5 4.9549173134 0.4742628104 0.2028874886 0.14890886 0.85041444 0.0460114 -6.10846188 -5.37852071 -7.36066556 -5.95649838 -0.25245798 -0.62284434 -5.36786072 -0.01896943 8.66804691 0.93263188 2.07961405 2.40833674 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26807-65-8 3702 144213004 A A Indapamide NS(=O)(=O)c1cc(ccc1Cl)C(=O)NN2c3ccccc3CC2C Tox21_302687 -NCGC00257284-01 196727234 tox21-ror-cho-viability-p1 set3 4 0.37683264 1.03374767 -1.4824886 -2.52441612 -18.3687942 -2.34432794 -0.48619397 -14.14285177 -26.89719627 0 -1.52419082 1.38307856 -1.64534771 0.53551322 -1.12770285 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19525-59-8 23672325 144213845 A A Potassium anilinoacetate [K+].[O-]C(=O)CNc1ccccc1 Tox21_303539 -NCGC00256989-01 196727237 tox21-ror-cho-viability-p1 set3 4 0 -22.45309572 -3.9663705 0 -0.50661213 -2.90742161 0 0 0 0 0 -8.55169736 -8.99990205 -2.71201582 -0.25525572 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 98-11-3 7371 144213448 A A Benzenesulfonic acid O=S(O)(=O)c1ccccc1 Tox21_303131 -NCGC00256681-01 196727243 tox21-ror-cho-viability-p1 set3 4 2.67100067 -14.06639337 0.67662104 -9.58016796 0 -19.71199236 0 0 0 0 -11.93185368 -5.44203484 -4.17337789 -7.41235825 2.36017771 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2695-37-6 3571582 144212783 Ac Ac Sodium 4-vinylbenzenesulfonate [Na+].O=S([O-])(=O)c1ccc(C=C)cc1 Tox21_302466 -NCGC00256716-01 196727641 tox21-ror-cho-viability-p1 set3 4 -1.22558039 -0.83023388 1.28218314 -1.64227508 -1.57641868 0.80134753 -0.72234547 -0.97125769 4.59705809 4.4855048 -0.48858716 -1.63344219 -0.20839345 -1.01155144 1.39944487 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4621-04-9 20739 144212771 A A 4-Isopropylcyclohexanol CC(C)C1CCC(O)CC1 Tox21_302454 -NCGC00256391-01 196719096 tox21-ror-cho-viability-p1 set2 4 -7.22642641 -2.01783884 1.49190812 -4.01263501 -5.53568966 -7.7401438 -2.86893262 -3.81059515 -0.87209391 3.97316213 -0.52629556 -1.81909477 -5.67763019 -5.5103206 -2.98548223 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-51-4 802 144213048 A A Indole-3-acetic acid O=C(O)Cc2cnc1ccccc12 Tox21_302731 -NCGC00256789-01 196718680 tox21-ror-cho-viability-p1 set2 4 1.29808748 1.22470425 0.42386513 -1.25022529 2.15141788 2.64708841 2.518019 1.53395685 2.66759106 1.71736689 -0.54384348 3.0420743 1.99918615 2.66239652 -1.23580023 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68917-18-0 144212987 M M Cornmint oil Tox21_302670 -NCGC00256439-01 196719082 tox21-ror-cho-viability-p1 set2 4 0.1535530364 6.5405745799 -4.5405745799 2 4.9549173134 0.4517845264 0.2234513963 0.49732403 -7.85707111 1.5295069 -0.69720836 -10.03381215 -9.42293527 -1.67962348 2.5810632 -0.18995444 0.79912434 2.73619004 3.26125508 1.98620585 5.97559669 -0.29605842 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-00-6 6997 144213202 A A 2-Ethylphenol CCc1ccccc1O Tox21_302885 -NCGC00257320-01 196719089 tox21-ror-cho-viability-p1 set2 4 3.4376242854 9.908690404 -12.016721892 -2.108031488 0.7999999999 0.4085958573 0.281220852 -10.97324614 -17.51393491 -9.33878693 -8.38466626 -10.70790238 -12.61401886 -13.66265537 -10.1413636 -10.77656679 -10.56022864 -1.38999023 -3.24805434 -12.45925858 -0.09002624 -25.17080377 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-06-8 7076 144213835 A A 1,1':3',1''-Terphenyl c1cc(ccc1)c2cccc(c2)c3ccccc3 Tox21_303528 -NCGC00256489-01 196719099 tox21-ror-cho-viability-p1 set2 4 2.36384999 -0.22494339 0.26994703 2.31003234 0.30193179 0.09102799 -0.65025124 5.01801459 -0.19686296 1.63406674 1.98540456 1.96868944 0.00352676 1.73346874 1.51196934 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-94-1 7967 144213067 Ac Cyclohexanone O=C1CCCCC1 Tox21_302750 -NCGC00015754-16 196717878 tox21-ror-cho-viability-p1 set2 4 5.3080386368 -15.573309092 3 -12.573309092 0.7999999999 0.828719143 0.0041223918 1.94884462 2.43999064 0.10150167 0.12253949 2.34815621 4.13808099 7.68410264 4.35225028 0.94924459 -1.87796008 -2.57525023 -4.95708429 -4.65302906 -8.48165063 -11.31109091 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63612-50-0 4493 170465021 A Nilutamide FC(F)(F)c1cc(ccc1[N+]([O-])=O)N2C(=O)C(C)(C)NC2=O Tox21_110213_1 -NCGC00167534-02 196717464 tox21-ror-cho-viability-p1 set2 1.1 2.3710137656 94.7078570541 -2.4042760295 92.3035810246 3.9899729863 0.9979076726 0 -2.06647879 0.19590537 -3.51695216 -6.63864713 -1.03567442 -0.93290108 -2.01489989 -2.67758003 -0.45340308 -1.66303486 21.69120198 86.23942496 92.11934234 90.45799345 91.5848291 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127045-41-4 65957 170465985 A Pazufloxacin NC1(CC1)c4c(F)cc2c3N(C=C(C2=O)C(=O)O)[C@@H](C)COc34 Tox21_112531_1 -NCGC00016925-11 196717860 tox21-ror-cho-viability-p1 set2 4 4.48036078 3.45383528 0.8779075 3.79340568 5.44678873 4.76300801 3.60357037 4.25517844 2.78167633 3.06356782 0.14932534 3.15005956 -0.86954807 0.07986299 0.93617335 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 73590-58-6 4594 170465443 A Omeprazole Cc3c(OC)c(C)cnc3CS(=O)c1nc2cc(ccc2n1)OC Tox21_110686_1 -NCGC00159518-05 196717859 tox21-ror-cho-viability-p1 set2 4 0.25545242 0.55386091 1.5771558 -0.96082067 -2.12342451 -0.48090151 -2.74013297 -0.20945579 -2.53963812 -2.77627913 -2.22868096 -2.00304047 0.25687124 -2.85928399 1.10747848 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 117976-90-6 14720269 170464736 Bc Rabeprazole [Na+].Cc3c(OCCCOC)ccnc3CS(=O)c1[n-]c2ccccc2n1 Tox21_111736_1 -NCGC00178831-03 196717882 tox21-ror-cho-viability-p1 set2 -3 33.4914596268 -60.9715884944 4.5 -56.4715884944 4.9549173134 0.9234455904 0.0000821827 0.12016438 1.96431695 -0.17415817 3.60756416 3.38035768 6.15602225 3.68464564 5.38706763 0.98010776 0.09200829 5.15444057 9.64374615 10.93890866 6.5543854 -49.58133385 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69235-50-3 443101 170465670 I Acriflavine hydrochloride [Cl-].C[n+]1c3cc(N)ccc3cc2ccc(N)cc12.Nc1cc2nc3cc(N)ccc3cc2cc1 Tox21_111337_1 -NCGC00257233-01 196718276 tox21-ror-cho-viability-p1 set2 4 0.23762017 1.88176283 2.08685607 -3.46894198 -2.91711216 -0.41552259 -5.54761245 -0.05179271 -4.282693 1.3959335 -0.34264455 -4.62181972 -5.38923 -4.74756514 -4.97984529 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-80-1 445639 144213641 A Bc Oleic acid O=C(O)CCCCCCC/C=C\CCCCCCCC Tox21_303324 -NCGC00257192-01 196718281 tox21-ror-cho-viability-p1 set2 4 0.22894165 -2.69189895 -1.39681558 1.14116315 0.21991763 -1.11205736 -2.7387786 -1.75240518 -1.90295516 -1.33050671 -2.67628671 1.78523203 0.92445022 0.96356879 1.23298638 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 463-40-1 5280934 144213639 F Fns Linolenic acid O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC Tox21_303322 -NCGC00256449-01 196718283 tox21-ror-cho-viability-p1 set2 4 0.64522401 1.12810114 3.23505634 2.59954302 -2.009483 -3.4609704 0.93527943 -6.5923052 1.00054567 -2.9860915 1.79018145 0.26094413 0.38734644 0.20934276 2.09675224 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-33-9 4781 144213080 A D Phenylbutazone O=C3C(CCCC)C(=O)N(c1ccccc1)N3c2ccccc2 Tox21_302763 -NCGC00260365-01 196703989 tox21-ror-cho-viability-p1 set1 4 -9.2321789 -8.20928011 -6.23694217 -3.07396157 -7.88040936 0.08250426 -11.13417286 -13.79797621 -6.65659285 -16.94698676 -7.22059863 -6.67653823 -4.95651541 -9.63857919 -3.91728502 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.00009229 2892-51-5 17913 144210017 A A 3-Cyclobutene-1,2-dione,3,4-dihydroxy- OC1=C(O)C(=O)C1=O Tox21_202819 -NCGC00260080-01 196703992 tox21-ror-cho-viability-p1 set1 4 0.69187553 3.20006105 -1.1713294 1.70189565 0.52477461 3.2695315 0 1.10544734 2.53716284 1.66243451 -8.24305071 0.50751309 6.09114251 3.45877051 1.45862499 1.159E-9 2.592E-9 5.7959999999E-9 1.2959999999E-8 2.898E-8 6.48E-8 1.449E-7 3.24E-7 7.245E-7 0.00000162 0.000003623 0.000008101 0.000018109999999 0.000040499999999 0.00009057 25703-79-1 13539 144209729 F Fns Poly(2-hydroxypropyl methacrylate) CC(=C)C(=O)OCC(C)O Tox21_202531 -NCGC00258565-01 196701506 tox21-ror-cho-viability-p1 set1 4 -7.8025513 4.05418786 -4.56062907 0.35356697 -6.31189606 2.43667085 -7.68752162 -1.60279192 -1.87928283 -12.94726233 -8.07513187 -1.17039624 -3.53373455 -10.74384003 -1.9724023 1.167E-9 2.608E-9 5.8329999999E-9 1.304E-8 2.9159999999E-8 6.521E-8 1.458E-7 3.26E-7 7.2909999999E-7 0.0000016299999999 0.000003645 0.0000081509999999 0.00001823 0.000040759999999 0.000091129999999 2905-65-9 17946 144208210 A Ac Methyl 3-chlorobenzoate Clc1cc(ccc1)C(=O)OC Tox21_201012 -NCGC00255455-01 196701104 tox21-ror-cho-viability-p1 set1 4 -3.40506713 -0.6238012 -0.19087111 0.1126615 0.89767734 -1.25993238 -8.38371365 0.27439389 -4.96196252 -11.04719305 0.4310815 0.47652364 -7.11581723 1.4331706 5.99378197 1.2279999999E-9 2.746E-9 6.1399999999E-9 1.3729999999E-8 3.07E-8 6.865E-8 1.535E-7 3.4329999999E-7 7.676E-7 0.000001716 0.0000038379999999 0.000008582 0.00001919 0.000042909999999 0.000095939999999 81-82-3 54682651 144212177 F F Coumachlor Clc1ccc(cc1)C(CC(C)=O)C2=C(O)c3ccccc3OC2=O Tox21_301860 -NCGC00256220-01 196701107 tox21-ror-cho-viability-p1 set1 4 0.0216899429 4.289977276 -3.289977276 1 4.9549173134 0.3316646109 0.3404130001 -0.82625077 -2.65550315 -2.88629344 -7.74164773 3.67396482 1.90422789 -5.40976201 1.20182551 1.48084967 2.09553945 0.79624222 4.13465993 -2.27462335 1.75240793 1.49415177 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 621-07-8 69297 144212318 A A N-Benzyl-N-hydroxy-1-phenylmethanamine ON(Cc1ccccc1)Cc2ccccc2 Tox21_302001 -NCGC00260669-01 196701504 tox21-ror-cho-viability-p1 set1 4 1.36423361 4.78352877 0.9953785 11.34922613 0.55604704 1.69412481 1.09290636 5.77402728 6.33562493 1.51350808 2.87223693 1.06290016 4.27673633 1.05844618 5.62975336 1.198E-9 2.679E-9 5.989E-9 1.339E-8 2.995E-8 6.696E-8 1.497E-7 3.3479999999E-7 7.487E-7 0.0000016739999999 0.0000037429999999 0.000008371 0.000018719999999 0.00004185 0.00009359 6338-41-6 80642 144208280 A A 5-(Hydroxymethyl)-2-furoic acid OC(=O)c1ccc(CO)o1 Tox21_201082 -NCGC00258034-01 196701510 tox21-ror-cho-viability-p1 set1 4 2.05445524 2.05515032 2.39715096 5.65587359 -3.5106349 0.38528349 2.98634576 3.91579315 -3.51260011 -0.26893985 1.4354551 2.50900619 0.21749571 0.49264531 0.7349626 1.19E-9 2.661E-9 5.949E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003718 0.000008314 0.00001859 0.00004157 0.000092959999999 27060-75-9 117915 144207678 A A 1-Bromo-4-methoxy-2-methylbenzene Cc1cc(OC)ccc1Br Tox21_200480 -NCGC00258667-01 196701511 tox21-ror-cho-viability-p1 set1 4 2.32296362 -0.62777651 -0.58510885 1.72606059 4.92163675 1.26942951 8.75368182 3.54385282 8.92453023 -0.43824259 3.37158276 1.80351127 6.56904969 1.77320627 -0.09751104 1.1609999999E-9 2.5969999999E-9 5.8069999999E-9 1.298E-8 2.903E-8 6.492E-8 1.4519999999E-7 3.246E-7 7.258E-7 0.000001623 0.000003629 0.000008115 0.000018149999999 0.00004057 0.00009073 NOCAS_24858 2879 144208313 D m,p-Cresol mixture Cc1ccc(O)cc1 Tox21_201115 -NCGC00258698-01 196701513 tox21-ror-cho-viability-p1 set1 4 2.79780157 -0.53620124 0.53975242 -1.38439414 -0.07535891 1.61291866 0.65070631 -1.53440266 -0.62549706 3.46328239 0.39937689 2.91427871 7.07239478 1.25382404 2.55912169 1.1699999999E-9 2.617E-9 5.852E-9 1.3089999999E-8 2.926E-8 6.543E-8 1.463E-7 3.2719999999E-7 7.315E-7 0.0000016359999999 0.000003658 0.0000081789999999 0.00001829 0.000040889999999 0.000091439999999 612-60-2 11927 144208344 A A 7-Methylquinoline Cc1cc2ncccc2cc1 Tox21_201146 -NCGC00257989-01 196701920 tox21-ror-cho-viability-p1 set1 4 2.2079632 1.68252244 3.62534813 -0.15819625 -0.01281041 -0.28697626 8.2097412 3.94123978 -5.71283444 -6.31079402 3.31088086 -1.19746614 2.64726874 -0.15985313 9.20959675 1.149E-9 2.569E-9 5.7449999999E-9 1.285E-8 2.872E-8 6.4229999999E-8 1.436E-7 3.212E-7 7.181E-7 0.000001606 0.000003591 0.0000080289999999 0.00001795 0.00004014 0.00008976 107-39-1 7868 144207633 FNS 2,4,4-Trimethyl-1-pentene C=C(C)CC(C)(C)C Tox21_200435 -NCGC00258324-01 196701930 tox21-ror-cho-viability-p1 set1 4 5.79878838 1.25643678 0.90988535 -1.1038746 -0.80336459 -1.30898369 2.38899424 5.31149689 5.02999348 -1.9379367 1.66905876 0.2774825 2.14621018 -2.47928922 2.67711135 1.109E-9 2.479E-9 5.544E-9 1.2399999999E-8 2.772E-8 6.199E-8 1.3859999999E-7 3.099E-7 6.9299999999E-7 0.00000155 0.000003465 0.000007748 0.00001733 0.00003874 0.000086629999999 129618-40-2 4463 144207968 A A Nevirapine O=C3Nc1c(C)ccnc1N(C2CC2)c4ncccc34 Tox21_200770 -NCGC00258640-01 196701931 tox21-ror-cho-viability-p1 set1 -2.1 13.7411171718 -91.7401773093 1.095046861 -90.6451304483 2.2526478767 0.955812887 0.0000286177 -1.60808335 1.15781168 -0.85605477 5.37897802 4.17618588 1.52520938 -2.78445586 1.78122973 -1.68973888 -0.91385598 1.18182349 -15.17738058 -68.67055337 -21.70662424 13.56682636 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 4074-88-8 19996 144208286 A A Diethylene glycol diacrylate O=C(OCCOCCOC(=O)C=C)C=C Tox21_201088 -NCGC00258474-01 196701932 tox21-ror-cho-viability-p1 set1 4 72.5196513688 12.9182726799 -1.9182726799 11 4.9549173134 0.3700400089 0.3021484461 -5.86210532 -0.06646608 -3.96723427 -3.48741679 1.09597198 4.84043808 -7.4318939 -1.65754793 -3.5481327 2.07938407 -2.47044912 0.11982025 0.37110579 -4.96532304 8.24422832 1.123E-9 2.511E-9 5.615E-9 1.256E-8 2.807E-8 6.278E-8 1.4039999999E-7 3.1389999999E-7 7.0189999999E-7 0.000001569 0.0000035089999999 0.000007847 0.00001755 0.00003924 0.00008773 110-00-9 8029 144208118 FNS Furan c1ccco1 Tox21_200920 -NCGC00357241-01 196712224 tox21-ror-cho-viability-p1 set2 2.4 38.5707788719 29.088649572 0.911350428 30 1.331 0.8478650342 0.0024082926 -0.65795636 -1.74054131 0.81022523 0.09916666 -0.90239645 1.02484403 0.19630486 1.07619695 8.47374664 0.04839276 1.53291202 9.9278054 5.91802272 14.51970044 26.34626702 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15059-52-6 71311204 251919873 Dysprosium(III) chloride hexahydrate O.O.O.O.O.O.Cl[Dy](Cl)Cl Tox21_304034 -NCGC00260420-01 196711394 tox21-ror-cho-viability-p1 set2 4 0.678230652 -10.9461446839 -3.5 -14.4461446839 0.9999999999 0.4103504499 0.2617596067 -0.1689206 0.02349145 -5.97984793 -5.93229101 -8.32469667 -0.61095642 -4.77078084 -10.72950246 -6.19077172 -7.82717146 -15.27287427 -22.45512057 -15.68447357 0.60747026 -20.70504126 1.1689999999E-9 2.614E-9 5.844E-9 1.3069999999E-8 2.922E-8 6.5339999999E-8 1.461E-7 3.267E-7 7.305E-7 0.0000016329999999 0.000003653 0.000008167 0.00001826 0.00004084 0.000091309999999 874-23-7 13400 144210072 A F Cyclohexanone,2-acetyl- O=C1CCCCC1C(=O)C Tox21_202874 -NCGC00260156-01 196711398 tox21-ror-cho-viability-p1 set2 4 -1.02683701 -2.74836461 -46.12939929 -5.56378922 -3.37075322 -18.9958009 -5.76441447 -12.62737484 -2.25957563 0 -41.25422494 0 0 -0.63501992 -0.24217788 1.211E-9 2.709E-9 6.0569999999E-9 1.3539999999E-8 3.028E-8 6.772E-8 1.514E-7 3.386E-7 7.5709999999E-7 0.000001693 0.000003786 0.000008465 0.00001893 0.00004232 0.00009464 89-78-1 16666 144209806 A A dl-Menthol CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O Tox21_202608 -NCGC00260351-01 196711810 tox21-ror-cho-viability-p1 set2 4 77.0370913869 18 3 21 0.7999999999 0.62924714 0.0776962149 1.5792407 1.15121145 5.14413189 1.67655516 4.11773996 3.71795213 2.91639694 9.0463252 3.65968665 5.36616501 0.99006649 4.7052119 5.31120692 8.53027124 16.46084502 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.302E-7 7.3839999999E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.0000923 1450-85-7 1550489 144210003 Z Ac Pyrimidine-2-thiol S=C1N=CC=CN1 Tox21_202805 -NCGC00260199-01 196712225 tox21-ror-cho-viability-p1 set2 2.4 78.9981224269 25.628015436 2.371984564 28 4.4494702849 0.8028149952 0.0075470919 -1.09479212 2.75991099 -0.98077193 4.45628253 -1.35667953 0.54212881 3.68169756 6.41221404 4.75349391 4.43346648 2.62992577 1.54782505 0.95265981 2.50221233 20.76720077 1.206E-9 2.6959999999E-9 6.028E-9 1.348E-8 3.014E-8 6.739E-8 1.507E-7 3.3689999999E-7 7.534E-7 0.000001685 0.0000037669999999 0.000008424 0.00001884 0.000042119999999 0.00009418 374564-83-7 11344909 144209849 A A 1-(2-Hydroxyethyl)-3-methylimidazolium tetrafluoroborate C[n+]1ccn(CCO)c1.F[B-](F)(F)F Tox21_202651 -NCGC00356947-01 196712229 tox21-ror-cho-viability-p1 set2 4 0.0769588215 -9.9630190839 1.5 -8.4630190839 4.9549173134 0.3529244468 0.3324971582 -0.06822808 3.06836708 2.98061657 -0.41409783 2.36270291 -1.78022852 -12.81190911 -11.39920154 2.11711983 1.66797099 -14.45236756 -17.73136886 2.2349783 -18.71918257 -0.27693275 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6440-58-0 22947 251919728 F 1,3-Dimethylol-5,5-dimethylhydantoin CC1(C)C(=O)N(CO)C(=O)N1CO Tox21_303842 -NCGC00260610-01 196712232 tox21-ror-cho-viability-p1 set2 4 0.084126743 -24.517759756 4.5 -20.017759756 0.3 0.3797227002 0.2908520361 2.74712062 -1.46613426 0.53906412 -15.02360418 -0.54332651 -2.58564321 -13.49335792 0.03346007 -3.20018131 -23.04708619 -13.14549908 -17.15931111 -17.06934844 -1.93157323 -24.59813313 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49506 144210263 M M NTP Mix13 AR1 8-EQC Tox21_203065 -NCGC00260149-01 196712242 tox21-ror-cho-viability-p1 set2 4 27.2782538257 -20.176774988 3.5 -16.676774988 4.0949729863 0.7578172719 0.0227142874 1.14577722 4.8529227 0.11198296 1.12448173 -0.14956311 2.700785 3.40511133 7.86789925 4.68440782 8.41215936 5.55449261 1.61787421 -0.0156373 -13.89731249 11.24009969 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008241 0.000018429999999 0.00004121 0.00009214 136-23-2 5284483 144209799 A Zinc dibutyldithiocarbamate [Zn+2].[S-]C(=S)N(CCCC)CCCC.CCCCN(CCCC)C([S-])=S Tox21_202601 -NCGC00013565-03 196712640 tox21-ror-cho-viability-p1 set2 4 1.20807692 3.53992017 2.3262219 3.37555378 -0.64813065 3.31767509 1.3164118 0.34448959 0.9625385 4.62912106 0.0169075 3.05522999 2.61636697 4.67625238 1.03355032 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 328-38-1 439524 170465492 A D-Leucine CC(C)C[C@@H](N)C(=O)O Tox21_112049_1 -NCGC00259214-01 196708918 tox21-ror-cho-viability-p1 set2 4 -0.29926068 1.14822319 0.48655896 1.06766342 2.25674014 -0.83118398 0.00310123 0.83711169 -0.25280917 1.04430825 3.66349158 2.47554252 5.08729121 2.95061009 2.50414785 1.242E-9 2.7759999999E-9 6.208E-9 1.388E-8 3.104E-8 6.941E-8 1.552E-7 3.4699999999E-7 7.76E-7 0.000001735 0.00000388 0.000008676 0.000019399999999 0.00004338 0.000097 51235-04-2 39965 144208863 A A Hexazinone CN(C)C2=NC(=O)N(C1CCCCC1)C(=O)N2C Tox21_201665 -NCGC00259221-01 196708505 tox21-ror-cho-viability-p1 set2 4 -0.36139291 -2.1214014 -3.31232676 -0.64562764 -2.38471318 -1.64574177 -0.23505667 -0.73603047 -2.3211236 -1.27612337 -2.43239466 -1.67710904 -4.23070044 2.22263768 -2.17681356 1.172E-9 2.6199999999E-9 5.859E-9 1.31E-8 2.929E-8 6.55E-8 1.465E-7 3.275E-7 7.324E-7 0.0000016379999999 0.000003662 0.000008188 0.00001831 0.00004094 0.00009154 2530-83-8 17317 144208870 F Trimethoxy[3-(oxiran-2-ylmethoxy)propyl]silane CO[Si](CCCOCC1CO1)(OC)OC Tox21_201672 -NCGC00259887-01 196708517 tox21-ror-cho-viability-p1 set2 4 5.19028045 3.07774535 6.27999833 0.22332085 -0.29303665 2.32451747 3.72879031 1.11279936 5.12547198 0.03781143 2.23224435 6.69012171 4.45829489 3.92332278 0.54937171 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003673 0.0000082119999999 0.000018359999999 0.00004106 0.000091819999999 7287-19-6 4929 144209536 A A Prometryn CSc1nc(NC(C)C)nc(NC(C)C)n1 Tox21_202338 -NCGC00258890-01 196708915 tox21-ror-cho-viability-p1 set2 4 2.23789136 2.13612142 -0.16460339 -1.01836472 -0.40038881 -0.56960147 1.79734505 -1.32540637 1.47427911 1.76826574 1.56523363 5.0643653 2.62892789 2.30209211 3.5887113 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004135 0.00009247 1646-88-4 9570093 144208536 A A Aldoxycarb CC(C)(/C=N/OC(=O)NC)S(C)(=O)=O Tox21_201338 -NCGC00254713-01 196719544 tox21-ror-cho-viability-p1 set3 4 13.6019669824 -19.44697264 12 -7.44697264 0.4 0.6004751451 0.0968351614 10.89829627 11.25629403 8.74536374 19.64734352 8.83442186 9.12019282 3.81439371 4.42064859 9.34046627 9.15976287 2.35673477 6.37502883 4.26575261 -1.68597428 -2.8724772 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 1825-19-0 15766 144211126 Pentachlorothioanisole Clc1c(SC)c(Cl)c(Cl)c(Cl)c1Cl Tox21_300809 -NCGC00254718-01 196719531 tox21-ror-cho-viability-p1 set3 4 0.2945773322 -10 13.5 3.5 0.9999999999 0.5467799986 0.1383959921 10.59091196 5.53093002 13.46891693 20.43774274 17.78362444 8.76230401 12.27852311 6.76550167 2.56906123 6.24839227 7.52495764 4.20132362 4.31371698 0.25107443 3.73691911 1.142E-9 2.5539999999E-9 5.7099999999E-9 1.277E-8 2.8549999999E-8 6.384E-8 1.4269999999E-7 3.1919999999E-7 7.1369999999E-7 0.000001596 0.0000035689999999 0.00000798 0.00001784 0.000039899999999 0.000089219999999 10124-37-5 24963 144211131 Calcium nitrate [Ca+2].[O-][N+]([O-])=O.[O-][N+]([O-])=O Tox21_300814 -NCGC00254500-01 196719534 tox21-ror-cho-viability-p1 set3 4 5.67182288 5.90852282 -0.51112971 0.82578641 2.37840898 -2.19055874 0 12.20131527 0.48767694 -6.44678188 10.01449124 -7.6444423 0.9169694 8.90790067 2.09940182 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 136-60-7 8698 144210828 A Ac Butyl benzoate O=C(OCCCC)c1ccccc1 Tox21_300510 -NCGC00255013-01 196719535 tox21-ror-cho-viability-p1 set3 4 5.7087047 -5.17025012 10.27294877 7.47141694 9.05574146 4.69698129 7.96942412 7.12277447 0.87693169 8.24137696 2.95208275 4.12816337 2.49372077 1.74681747 1.11207449 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_24824 22833489 144211430 FC Chlorinated paraffins:C12, 60% chlorine ClC(CC(Cl)C(Cl)C(Cl)CC)C(Cl)C(C)Cl Tox21_301113 -NCGC00254755-01 196719940 tox21-ror-cho-viability-p1 set3 4 -2.22759837 -3.14518052 12.11596093 2.77209383 2.50980699 -1.45180098 -2.29843003 3.6338428 -2.68347305 -0.20574785 2.84650803 -0.28730757 -1.66644127 1.01419473 -3.68723175 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 188489-07-8 3083546 144211169 A A Flufenpyr-ethyl O=C(OCC)COc1cc(c(F)cc1Cl)N2N=CC(=C(C)C2=O)C(F)(F)F Tox21_300852 -NCGC00254623-01 196719951 tox21-ror-cho-viability-p1 set3 2.4 0.5793249296 28.700155912 -18.700155912 10 0.2 0.8131253053 0.0060078889 -10.85359481 -15.58346326 -7.72360928 -6.08136007 -9.96448414 -10.54776313 -5.88055436 -3.84971843 -2.75301421 -0.93842228 -1.3467852 -1.83660339 -1.55742644 -0.01226421 5.7823808 1.367E-9 3.0569999999E-9 6.836E-9 1.529E-8 3.418E-8 7.6429999999E-8 1.709E-7 3.8219999999E-7 8.5459999999E-7 0.000001911 0.000004273 0.000009554 0.00002136 0.00004777 0.0001068 3260-85-3 76748 144211034 A Fns 4-Chloro-2-methylanisole COc1ccc(Cl)cc1C Tox21_300717 -NCGC00254991-01 196719959 tox21-ror-cho-viability-p1 set3 4 0.1722893406 -5.062014464 5.5 0.437985536 4.9549173134 0.5860053741 0.1085058773 3.80972962 7.67052017 4.68402132 11.31338242 1.9139369 4.95464485 4.23839333 -0.17780029 -0.1560384 0.57014645 -2.55167872 2.78393044 0.84948423 -0.59020194 1.61017891 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122836-35-5 86369 144211408 A A Sulfentrazone CS(=O)(=O)Nc1cc(c(Cl)cc1Cl)N2N=C(C)N(C2=O)C(F)F Tox21_301091 -NCGC00254184-01 196719960 tox21-ror-cho-viability-p1 set3 4 -1.73896 2.6151879 4.9794982 0.02698248 16.7164839 4.13992985 4.0831586 -3.01526306 11.91584621 -1.04995037 -4.11324932 8.19663705 3.11196271 0.46409072 -1.225888 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-40-7 66166 144210518 A A Bisphenol B Oc1ccc(cc1)C(C)(CC)c2ccc(O)cc2 Tox21_300198 -NCGC00257034-01 196719132 tox21-ror-cho-viability-p1 set2 4 3.0637858693 12.240122768 -5.740122768 6.5 0.3 0.5813557469 0.1120501368 -1.23719382 -9.78343564 -3.11471726 -1.05200315 -6.79790288 -3.29788405 -1.14391586 -0.03910843 -1.27919312 0.12153107 1.45238349 0.47662292 0.48778134 1.38430403 5.11286393 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-07-2 8160 144213547 B Ac 2-Butoxyethyl acetate O=C(C)OCCOCCCC Tox21_303230 -NCGC00257145-01 196718716 tox21-ror-cho-viability-p1 set2 4 2.65253852 1.03757528 0.26347231 2.96145341 -0.47186851 6.38855955 3.17050122 1.40035128 6.20903913 4.99238619 8.9745338 3.35772319 2.57904764 1.92204073 1.88116241 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 608-93-5 11855 144213496 A Fc Pentachlorobenzene Clc1cc(Cl)c(Cl)c(Cl)c1Cl Tox21_303179 -NCGC00257441-01 196719123 tox21-ror-cho-viability-p1 set2 4 0.0483376467 15.3193666319 -11.3193666319 4 1.5385888099 0.8824790954 0.0007161737 -8.78156395 -14.01613886 -12.44669772 -8.37417335 -5.98350334 -4.54485951 0.7602903 7.1629123 4.58420522 0.40745608 4.95754423 7.10282241 4.81808495 3.1929216 -0.15467408 1.0679999999E-9 2.3869999999E-9 5.3379999999E-9 1.1939999999E-8 2.6689999999E-8 5.9679999999E-8 1.335E-7 2.9839999999E-7 6.6729999999E-7 0.0000014919999999 0.000003336 0.00000746 0.00001668 0.0000373 0.000083409999999 65505-17-1 47649 144213899 A Fns Methyl 2-methyl-3-furyl disulfide Cc1occc1SSC Tox21_303594 -NCGC00256994-01 196719128 tox21-ror-cho-viability-p1 set2 4 1.6826946 0.92630743 -3.30522717 -0.1346923 -2.72796888 -8.46824831 1.72272793 0.92392391 -1.8333068 -4.08157797 0.72383396 0.26189264 -1.03520541 -3.6041358 -2.74781724 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-51-1 7390 144213518 Cc Fns 4-tert-Butyltoluene Cc1ccc(cc1)C(C)(C)C Tox21_303201 -NCGC00254728-01 196719983 tox21-ror-cho-viability-p1 set3 4 14.04450583 -3.13895201 3.22989018 -5.42240388 13.6664043 -6.33883155 1.84780819 -5.10811042 13.18842282 0.63411088 2.29096946 -4.33233372 -6.24046854 -5.84520712 -10.75987847 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 361377-29-9 11048796 144211141 A A Fluoxastrobin Clc4ccccc4Oc3ncnc(Oc2ccccc2C(=N\OC)/C=1OCCON=1)c3F Tox21_300824 -NCGC00260182-01 196724264 tox21-ror-cho-viability-p1 set3 4 0.0242375538 5.963530252 -3.963530252 2 1.0999999999 0.4512517032 0.2255022498 -5.38627521 -1.49393316 -2.950828 -2.93524589 0.78769173 -0.62348887 -1.37989882 4.82643932 4.6099347 2.55948027 4.25504817 -0.95045382 -2.08657191 -0.49364367 6.0641414 1.1759999999E-9 2.631E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.576E-8 1.471E-7 3.288E-7 7.3529999999E-7 0.0000016439999999 0.000003676 0.00000822 0.000018379999999 0.0000411 0.000091909999999 292140-86-4 50878556 144209832 A 1-Ethyl-2,3-dimethylimidazolium hexafluorophosphate C[n+]1ccn(CC)c1C.F[P-](F)(F)(F)(F)F Tox21_202634 -NCGC00256239-01 196728080 tox21-ror-cho-viability-p1 set3 4 0.1385260678 9.4120362879 -1.4120362879 8 4.9549173134 0.5134940466 0.1665306311 0.41791931 0.94605255 -2.92535474 -1.15108514 -4.51003024 -1.39236254 3.47856545 19.18826322 11.38243604 -1.03258207 6.49927748 12.41562075 7.78284312 4.34489891 4.10793495 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 26842-43-3 92251 144212130 F Fns 2-Amino-2,4-dimethylpentanenitrile CC(C)CC(C)(N)C#N Tox21_301813 -NCGC00255572-01 196728067 tox21-ror-cho-viability-p1 set3 4 -0.24236039 12.66204212 8.19578438 14.17931851 9.62495694 5.48037611 0.37661326 16.70952431 -1.7770682 11.39759421 2.72779003 3.80429801 4.2134792 -1.27631836 3.81005596 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-31-4 2735107 144211644 A Sodium octyl sulfate [Na+].[O-]S(=O)(=O)OCCCCCCCC Tox21_301327 -NCGC00255328-01 196728068 tox21-ror-cho-viability-p1 set3 1.2 2.7306020303 43.2693890479 -1.1209646719 42.148424376 2.4063783767 0.9393587605 0.0000536647 0.4032802 0.08855391 4.18845572 0.29556944 -1.43713996 -11.99641839 4.30518807 -5.34562017 2.57237028 10.24518983 26.10742367 45.75095557 39.29159693 38.61202882 35.81510343 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51-41-2 439260 144212261 F Fns Norepinephrine Oc1ccc(cc1O)[C@@H](O)CN Tox21_301944 -NCGC00090721-03 196708901 tox21-ror-cho-viability-p1 set2 4 5.83620755 3.4584262 6.37275894 6.69903676 3.67427665 0.82652777 6.24838305 4.70821291 2.17046912 6.10676858 4.19984908 7.76107132 7.00274077 6.38843377 6.46299212 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00168342-02 196708476 tox21-ror-cho-viability-p1 set2 4 2.15326331 2.04279485 -0.25461605 -1.33485856 -0.36577007 1.25614996 2.55579055 -0.04355242 -0.05585147 1.13880865 -1.02933707 2.32564035 -3.2809888 3.22748748 -2.64952742 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00259621-01 196708494 tox21-ror-cho-viability-p1 set2 -3 68.4501412252 -80.0639375701 1.2510093649 -78.8129282052 4.5044702849 0.9828795541 1.93E-8 4.93996333 0.42706562 2.55988768 4.44573129 1.36293706 0.08877275 2.95130326 1.27936244 2.76032756 -0.09592979 0.7567089 -4.15851778 -0.29754834 -5.74771089 -62.54994302 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.365E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.00004117 0.00009206 309-00-2 24860538 144209270 A A Aldrin ClC3=C(Cl)[C@]4(Cl)[C@@H]2[C@@H]1CC(C=C1)[C@@H]2C3(Cl)[C@@]4(Cl)Cl Tox21_202072 -NCGC00258920-01 196708497 tox21-ror-cho-viability-p1 set2 4 0.34263916 0.94286038 1.13156145 1.00541635 -0.80965333 -3.57735927 2.04244576 -0.55351547 0.55715534 0.54328992 -4.70410293 0.969274 0.68566922 0.29171047 4.98864769 1.172E-9 2.6199999999E-9 5.858E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.275E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008187 0.00001831 0.000040929999999 0.00009153 133-90-4 8630 144208566 A A Chloramben Clc1cc(C(=O)O)c(Cl)c(N)c1 Tox21_201368 -NCGC00258855-01 196706007 tox21-ror-cho-viability-p1 set1 4 8.6876362104 17.60191898 -11.60191898 6 0.2 0.4486172312 0.2267880512 -9.77440366 -7.76629669 -7.77134104 -7.54429094 -10.50159915 -7.09947658 -5.3962958 -2.90948978 -4.33687472 -7.95315912 2.93183276 -4.76573442 -8.76079173 -1.22426194 3.66000979 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.6299999999E-8 1.4829999999E-7 3.315E-7 7.4129999999E-7 0.0000016579999999 0.0000037059999999 0.000008288 0.00001853 0.000041439999999 0.00009266 2016-57-1 8916 144208501 AC Fc 1-Decanamine CCCCCCCCCCN Tox21_201303 -NCGC00258835-01 196705597 tox21-ror-cho-viability-p1 set1 4 -10.51856547 -4.37928268 -12.92446171 -7.78244733 -10.57452099 -3.12553347 -3.52329103 -8.69062605 -4.08542469 -9.68503459 4.84601007 -9.14088518 -9.5495729 -1.98457126 1.32623095 1.202E-9 2.688E-9 6.0109999999E-9 1.344E-8 3.005E-8 6.7199999999E-8 1.503E-7 3.36E-7 7.5129999999E-7 0.0000016799999999 0.0000037569999999 0.0000084 0.00001878 0.000042 0.00009392 3165-93-3 18487 144208481 A A 4-Chloro-2-methylaniline hydrochloride Cl.Cc1cc(Cl)ccc1N Tox21_201283 -NCGC00259889-01 196705598 tox21-ror-cho-viability-p1 set1 4 0.22409067 3.69025792 1.49993281 -0.32707063 3.18792954 4.3615625 -2.07563479 1.06974544 -2.29390463 7.8543536 4.4181358 1.92596362 0.25168577 2.47207674 -0.65219364 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004128 0.00009231 111-96-6 8150 144209538 A Ac Bis(2-methoxyethyl) ether COCCOCCOC Tox21_202340 -NCGC00259944-01 196705601 tox21-ror-cho-viability-p1 set1 -3 68.4501412252 -89.0207446113 1.6664038299 -87.3543407814 4.5044702849 0.959688397 0.0000025581 4.95617946 1.73057551 8.31170371 9.00711981 3.18772579 -5.62310769 -0.14050657 1.25793816 1.54507512 0.80394765 0.02507852 0.38546295 -3.4320398 -5.90170005 -69.32884189 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 50-55-5 5770 144209593 A A Reserpine COc1cc(cc(OC)c1OC)C(=O)O[C@@H]3C[C@@H]4CN5CCc2c6ccc(OC)cc6nc2[C@H]5C[C@@H]4[C@@H]([C@H]3OC)C(=O)OC Tox21_202395 -NCGC00259230-01 196706011 tox21-ror-cho-viability-p1 set1 4 76.0987307785 -24.34317072 2 -22.34317072 4.5044702849 0.6158081816 0.0860741507 0.76661898 9.36740198 2.14813547 10.21207311 -0.88524853 -0.04652159 2.67208299 2.0926479 2.39365511 2.68085864 -2.49927671 0.22552717 -1.93639365 0.77161759 -15.2859756 1.1689999999E-9 2.614E-9 5.8459999999E-9 1.3069999999E-8 2.9229999999E-8 6.536E-8 1.461E-7 3.268E-7 7.3069999999E-7 0.0000016339999999 0.0000036539999999 0.00000817 0.00001827 0.00004085 0.00009134 82-28-0 6702 144208879 A A 1-Amino-2-methylanthraquinone O=C3c1ccccc1C(=O)c2c3ccc(C)c2N Tox21_201681 -NCGC00259584-01 196706021 tox21-ror-cho-viability-p1 set1 4 -0.36899189 1.02645387 3.19872689 5.47488537 1.20614387 3.89549125 1.54822808 -1.0961988 -12.02976851 12.39094695 -2.02915563 1.72416703 -0.00541104 1.23059906 -0.84356505 1.194E-9 2.67E-9 5.9699999999E-9 1.335E-8 2.985E-8 6.675E-8 1.493E-7 3.337E-7 7.463E-7 0.000001669 0.0000037309999999 0.0000083439999999 0.00001866 0.00004172 0.00009329 101-80-4 7579 144209233 A A 4,4'-Oxydianiline Nc1ccc(cc1)Oc2ccc(N)cc2 Tox21_202035 -NCGC00259880-01 196706429 tox21-ror-cho-viability-p1 set1 4 49.1509036116 -15.471487424 0.5 -14.971487424 3.5117481694 0.352175348 0.3178449053 0.86102011 4.76528034 -7.5561178 0.8564662 0.71482603 1.36664258 -2.3336958 0.21022101 -10.49271655 12.78883983 0.95283201 4.19722182 -0.50465314 -4.93268728 -13.72623952 1.1919999999E-9 2.6649999999E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.662E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004164 0.000093099999999 107534-96-3 86102 144209529 A A Tebuconazole OC(Cn1cncn1)(CCc2ccc(Cl)cc2)C(C)(C)C Tox21_202331 -NCGC00259520-01 196706436 tox21-ror-cho-viability-p1 set1 -1.2 6.2375996278 -33.92830058 1.5 -32.42830058 1.6258976909 0.9486734255 0.0000097069 3.42950676 0.82284452 3.51522181 -0.65276708 6.70100994 -0.6770833 1.3834912 -5.15427713 1.15914299 3.59760195 -11.78117136 -19.16630424 -25.62882204 -32.85691715 -31.99437251 1.1999999999E-9 2.6819999999E-9 5.9979999999E-9 1.3409999999E-8 2.999E-8 6.7059999999E-8 1.5E-7 3.353E-7 7.498E-7 0.000001676 0.000003749 0.0000083819999999 0.000018739999999 0.00004191 0.000093719999999 128-04-1 560256 144209169 F Sodium dimethyldithiocarbamate [Na+].CN(C)C([S-])=S Tox21_201971 -NCGC00256478-01 196726469 tox21-ror-cho-viability-p1 set3 4 -1.10593606 0.83965921 0.33501401 -0.29720354 -0.08815306 -0.99450198 0.25714434 1.56537561 0.0560556 1.01938333 3.11312833 0.43366167 0.92581699 0.97774294 0.58882535 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6959-48-4 23394 144213204 A D 3-(Chloromethyl)pyridine hydrochloride Cl.ClCc1cccnc1 Tox21_302887 -NCGC00256893-01 196726398 tox21-ror-cho-viability-p1 set3 4 0.0034376243 -15.618602164 16 0.381397836 1.21 0.7862716792 0.0144345332 13.14861188 8.92497613 6.20502185 2.68030241 0.86993738 3.17380396 -1.40873377 2.61265819 5.63342098 -1.0746902 -0.49455305 -2.18216847 0.93566633 -1.18275094 6.05992503 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 543-49-7 10976 144212834 A 2-Heptanol CC(O)CCCCC Tox21_302517 -NCGC00256559-01 196726802 tox21-ror-cho-viability-p1 set3 4 1.7228934059 8.587794412 -5.087794412 3.5 2.7867712143 0.5801141727 0.1120422863 0.20405525 -4.31772554 -5.96467834 -7.74859276 -6.27217891 -4.68141385 -8.82316201 -0.08703225 -5.99331084 0.2743735 0.02500085 10.79928284 2.06138744 3.07872448 0.11106129 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 108-99-6 7970 144213318 Fns 3-Methylpyridine Cc1cccnc1 Tox21_303001 -NCGC00256324-01 196726806 tox21-ror-cho-viability-p1 set3 4 -2.91617185 1.64439163 -2.61867878 -1.90360624 0.50068569 2.18807047 2.0012558 -1.90281635 0 0 -3.50909396 -4.33256972 0.5833281 0.11447317 -1.6000009 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-17-3 7284 144213183 F 2-Methylbutanal CC(CC)C=O Tox21_302866 -NCGC00163815-04 196726060 tox21-ror-cho-viability-p1 set3 -3 61.130564862 -65.6191960604 3.3516518994 -62.267544161 3.6272481694 0.8353985979 0.0034195395 -0.10002224 0.48361402 9.26864955 9.52629244 10.84952641 -5.43017481 -6.47512707 -1.83048752 -2.94485084 2.71852991 12.57458871 10.83286562 0.89754951 -8.49545832 -50.3923733 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00344523-01 196726062 tox21-ror-cho-viability-p1 set3 4 -5.57982679 -10.90646648 -1.3589709 -5.09060588 -2.9286386 -4.31311826 2.74055836 0.6539494 -8.94647377 -2.04855625 1.515602 3.87153488 -0.03083599 -6.10763603 -7.33549842 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87-79-6 6904 170465548 Z L-(-)-Sorbose O[C@H](C(=O)CO)[C@H](O)[C@@H](O)CO Tox21_113100_1 -NCGC00256357-01 196726464 tox21-ror-cho-viability-p1 set3 4 2.84294086 -8.10366776 -12.52124869 -10.41260453 0 3.30791522 0 0 0 -13.28874982 -11.31891711 -11.44372135 2.843958 2.23198957 -4.47737966 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-75-5 6947 144213075 A F 2-Nitrophenol O=[N+]([O-])c1ccccc1O Tox21_302758 -NCGC00256540-01 196726474 tox21-ror-cho-viability-p1 set3 4 -3.7706018 -3.54085704 -4.77080753 -7.5412868 -2.33549627 -5.92181376 -4.66059507 0.87804974 -6.06910026 0.45262462 -3.73392039 2.21957717 -4.73784721 -6.76700692 -10.58051563 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 118-79-6 1483 144213289 A A 2,4,6-Tribromophenol Brc1cc(Br)cc(Br)c1O Tox21_302972 -NCGC00257124-01 196726476 tox21-ror-cho-viability-p1 set3 4 0.49161029 3.42067759 -0.5871595 2.51069165 0.50251303 1.36440842 4.08944208 3.5797324 1.38684211 -2.06691428 3.37654287 2.58479689 2.08697789 4.95543195 1.1000012 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-75-2 7455 144213441 A A Methyl 4-methylbenzoate COC(=O)c1ccc(C)cc1 Tox21_303124 -NCGC00256678-01 196726479 tox21-ror-cho-viability-p1 set3 4 3.79905166 -4.81885042 -0.08889779 -14.53519381 -4.23341798 -18.63562378 0 0 -22.44071603 -18.46324386 -20.78114472 2.33156351 4.3074737 3.14301985 -3.71301902 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1118-27-0 240119 144213925 A D Linalyl isovalerate O=C(CC(C)C)OC(C)(CC\C=C(\C)C)C=C Tox21_303620 -NCGC00256497-01 196726886 tox21-ror-cho-viability-p1 set3 4 2.87496213 0.46267988 -1.63113882 1.67937913 1.2575259 2.85318308 -1.34478719 -0.34757078 -1.95461866 1.29353824 1.34714195 0.54113673 2.82255762 0.79714574 0.0692978 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 106-48-9 4684 144213177 A A 4-Chlorophenol Oc1ccc(Cl)cc1 Tox21_302860 -NCGC00090750-04 196726891 tox21-ror-cho-viability-p1 set3 4 0.28772133 -6.49605091 -5.25958997 -5.47632697 -5.57450073 -4.54866084 -3.46194681 0.06943249 -3.79601795 0.60725926 -0.01982914 0.46469646 -5.25187881 -8.48083481 -7.95732325 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00256977-01 196726892 tox21-ror-cho-viability-p1 set3 4 -2.08543376 -1.69409459 -1.69128425 -0.80605358 -1.57979443 -1.27915489 -1.54903094 -14.43609977 -9.07013515 0 -3.47519091 -0.32577539 -0.9306525 0.32060952 -0.99492159 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-26-2 111037 144213559 A F alpha-Terpinyl acetate CC(=O)OC(C)(C)C1CC=C(C)CC1 Tox21_303242 -NCGC00164546-02 196717047 tox21-ror-cho-viability-p1 set2 1.1 7.4978038628 88.2958705413 2.179723813 90.4755943543 4.9549173134 0.9949632121 0 1.4222753 1.59345793 3.3049809 1.88367273 2.80147731 3.99791797 4.74903332 6.54724186 -0.48123228 -0.45252614 1.1349673 1.88844366 64.39779258 91.94674223 90.85523945 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 106560-14-9 65894 170466271 A Fropenem O=C2N1C(=C(S[C@@H]1[C@H]2[C@@H](C)O)[C@H]3CCCO3)C(=O)O Tox21_112175_1 -NCGC00181305-01 196717034 tox21-ror-cho-viability-p1 set2 4 2.74485884 -1.91992199 2.06440276 3.14194824 3.61158302 4.66561478 5.02641384 2.33123235 -1.15187705 0.17390086 -0.99648507 -1.39915318 -0.78953101 -1.5546992 0.8338297 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 18917-95-8 3045402 144206333 F A Magnesium salicylate tetrahydrate O.O.O.O.O=C3O[Mg]2(Oc1ccccc1C(=O)O2)Oc4ccccc34 Tox21_112780 -NCGC00018107-05 196717046 tox21-ror-cho-viability-p1 set2 4 1.26800547 2.43368147 0.43252571 1.905082 5.45057506 7.04872873 5.67590726 1.1194611 2.95340862 3.37053998 2.48607759 1.93240292 3.02321652 -0.88461884 3.75554853 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 147-93-3 5443 170465571 C 2-Thiosalicylic acid OC(=O)c1ccccc1S Tox21_113560_1 -NCGC00015060-14 196700275 tox21-ror-cho-viability-p1 set1 4 24.1880978209 10.6778322119 -1.6778322119 9 2.3531167061 0.673646138 0.0514614965 0.41848924 -2.87015802 -3.57514292 -0.08055243 4.60264885 -5.14819351 -1.46060524 -2.11149376 -3.14617961 -1.87947331 -3.20852508 0.81572489 1.27316895 7.22520859 8.23109711 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00254579-01 196699850 tox21-ror-cho-viability-p1 set1 4 0.968854161 4.9675054879 -0.9675054879 4 2.3331733767 0.4279924032 0.2475629556 0.53209471 -0.03175154 -0.89014487 0.91563989 0.1737042 -6.22292124 1.36820596 -2.27079118 0.49063924 4.04800599 2.47397278 2.89913854 9.72850903 0.62219625 2.73519551 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2303-17-5 5543 144210988 A Ac Tri-allate Cl/C(Cl)=C(\Cl)CSC(=O)N(C(C)C)C(C)C Tox21_300671 -NCGC00255481-01 196700269 tox21-ror-cho-viability-p1 set1 4 -10.44307768 -7.74953455 -3.01178246 -0.78513338 -13.59315014 -12.34525473 -3.4180098 -0.25243943 -7.93629782 -7.89117228 -20.09122816 -4.6455845 -7.14895827 -0.95306953 -21.39342889 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-85-2 5995 144212587 A A Testosterone propionate CCC(=O)O[C@H]2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_302270 -NCGC00255921-01 196700273 tox21-ror-cho-viability-p1 set1 4 2.59429304 2.44390016 -0.13797441 4.6749712 3.69622252 2.95310602 3.83995356 1.53188801 1.00732015 8.00171643 9.17884368 7.10748338 6.37299232 3.95748171 2.79188797 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 621-76-1 69311 144212416 F Fns Tripropyl orthoformate CCCOC(OCCC)OCCC Tox21_302099 -NCGC00255927-01 196700276 tox21-ror-cho-viability-p1 set1 4 25.8440128318 11.02208488 -0.02208488 11 0.8999999999 0.3861029837 0.3049708153 0.92330288 -0.06272614 -4.6017374 0.92387277 0.74083444 0.65317945 -0.22791182 3.3157351 0.31781996 -4.00211207 5.70848437 2.47609332 1.83499905 7.56046129 1.43371007 1.024E-9 2.2899999999E-9 5.12E-9 1.145E-8 2.56E-8 5.7239999999E-8 1.28E-7 2.862E-7 6.4E-7 0.000001431 0.0000032 0.000007155 0.000016 0.00003578 0.000079999999999 31677-93-7 62884 144212161 A A Bupropion hydrochloride Cl.O=C(c1cc(Cl)ccc1)C(C)NC(C)(C)C Tox21_301844 -NCGC00255136-01 196700279 tox21-ror-cho-viability-p1 set1 -2.1 43.2771256911 -78.6266121867 -0.2775430569 -78.9041552436 1.9673362061 0.9815325658 2.99E-8 -0.36517173 -0.24282935 -0.34304683 -3.82423154 -2.2208189 0.75939189 2.64588689 -6.32166851 0.44683681 -0.21854662 3.45410084 -0.64166398 -11.80715103 -38.09626215 -64.32132973 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63675-72-9 4499 144212682 A A Nisoldipine CC=1NC(C)=C(C(C=1C(=O)OCC(C)C)c2ccccc2[N+]([O-])=O)C(=O)OC Tox21_302365 -NCGC00255774-01 196700684 tox21-ror-cho-viability-p1 set1 4 0.685896219 -9.655930212 -2 -11.655930212 0.7 0.3780797579 0.2932751164 -2.41031168 0.42230641 -2.73203058 0.11798373 -15.54660851 -0.43609422 0.49882997 -4.19414319 -10.41666563 -9.26423242 -3.86966385 -14.26758966 -12.75555925 -10.12284727 -9.37477961 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1185-53-1 93573 144212474 A A Tromethamine hydrochloride Cl.OCC(N)(CO)CO Tox21_302157 -NCGC00255155-01 196700694 tox21-ror-cho-viability-p1 set1 4 1.39659552 -0.40106509 -0.71631321 0.02095412 -0.92976573 5.31689894 6.09101457 -1.20401371 0.32028061 -0.47070096 0.42553032 -1.9439201 -0.55244709 -3.00328732 -1.05498851 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1742-14-9 74448 144212085 A A 1,1-Bis(3,4-dimethylphenyl)ethane Cc1ccc(cc1C)C(C)c2ccc(C)c(C)c2 Tox21_301768 -NCGC00091650-03 196701100 tox21-ror-cho-viability-p1 set1 4 -4.24658757 -10.09436406 2.28054296 -1.37557655 -3.79806544 -1.43066406 -1.95313815 -11.7624554 -8.9426877 -5.53087691 -0.71257526 -4.69977785 -5.53824057 -8.80292217 -20.60441852 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00249897-01 196698632 tox21-ror-cho-viability-p1 set1 -1.1 1.1883218301 -92.7117597964 0.6222295829 -92.0895302135 1.01 0.9758011028 1.422E-7 -0.06538792 -0.41004127 -2.13073738 -2.15971949 -1.89408343 -0.64067709 -0.05129368 0.05946697 -31.30901627 -41.60303872 -44.84593008 -73.12402432 -88.7182372 -87.83701281 -86.11523517 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 133-58-4 16682935 170465514 F Nitromersol Cc1ccc(c2[Hg]Oc12)[N+]([O-])=O Tox21_113673 -NCGC00090910-03 196698222 tox21-ror-cho-viability-p1 set1 4 1.49564103 0.10774961 -2.99656632 -0.11781739 1.63408695 1.16261117 1.21835467 1.38881291 -3.93649808 -2.20524231 0.35414122 -2.57119919 0.24573766 -2.91870784 -1.42479642 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00179341-04 196698224 tox21-ror-cho-viability-p1 set1 4 -5.86808376 -0.36658154 -3.85077652 -4.08007545 -0.86130403 -5.88707607 -3.79098039 -4.12365002 -3.82446904 -3.27696383 -3.52403692 0.75171454 -2.35671407 -2.1334562 -1.34740624 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 99614-02-5 4595 170464701 A Ondansetron O=C1C(CCc3c1c2ccccc2n3C)Cn4ccnc4C Tox21_113048_1 -NCGC00255963-01 196710572 tox21-ror-cho-viability-p1 set2 -2.1 21.6899429044 -85.1247436401 2.9898337529 -82.1349098872 0.7999999999 0.989748786 1E-9 4.09450917 7.60112048 0.72435295 3.52332487 0.79712432 1.81546805 0.10629724 -0.27570434 -3.13489273 -5.10051082 -15.6754699 -20.7712549 -33.5964477 -52.76768082 -62.60220446 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4776-06-1 20906 144212741 A A Fluorosalan Oc1c(cc(Br)cc1Br)C(=O)Nc2cc(ccc2)C(F)(F)F Tox21_302424 -NCGC00259078-01 196709741 tox21-ror-cho-viability-p1 set2 -3 69.7771103933 -87.3033721263 0.2712702219 -87.0321019044 4.9549173134 0.9962654852 0 0.07867001 -1.63917367 0.72070816 2.02372484 0.96468903 1.46574582 -1.09648195 -1.04550818 1.17283264 -1.13233789 -0.93323969 0.77071184 0.41793884 -6.5742903 -70.26357294 1.197E-9 2.676E-9 5.9839999999E-9 1.338E-8 2.992E-8 6.69E-8 1.496E-7 3.345E-7 7.48E-7 0.000001673 0.00000374 0.000008363 0.000018699999999 0.000041819999999 0.0000935 84852-15-3 338733 144208726 A A 4-Nonylphenol, branched Oc1ccc(CCCCCCC(C)C)cc1 Tox21_201528 -NCGC00256060-01 196710158 tox21-ror-cho-viability-p1 set2 4 2.7306020303 5.834328284 -6.834328284 -1 4.9549173134 0.4732683858 0.2040679677 -2.96694181 -10.37957801 -11.94527357 -3.71059405 -4.63071769 -7.94869893 -9.88205848 -1.7567137 -8.58486749 -7.97906833 -0.72478591 -2.71895812 0.58886822 -1.46583539 -1.97959158 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16669-59-3 27979 144211720 A A N-(Isobutoxymethyl)acrylamide CC(C)COCNC(=O)C=C Tox21_301403 -NCGC00255106-01 196710560 tox21-ror-cho-viability-p1 set2 4 3.0637858693 11.933728296 -5.933728296 6 0.3 0.5423852972 0.1598241898 -3.79299031 -2.7719729 -5.97794413 -7.44477358 -2.69533271 -4.01072743 -1.9623911 1.65868609 -1.48175789 1.20437535 -4.84771085 0.18334225 2.94121048 3.33361494 -4.97236373 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1772-03-8 2723866 144212319 Z F Galactosamine hydrochloride Cl.O[C@H]1[C@@H](O)[C@@H](CO)OC(O)[C@@H]1N Tox21_302002 -NCGC00256306-01 196710573 tox21-ror-cho-viability-p1 set2 4 1.54473803 1.83341591 6.11489669 3.08106794 -0.20888571 -2.80237034 1.07367982 0.07839457 0.11015675 -0.16161984 0.17866008 -0.29144925 1.59798562 0.26063702 0.39933421 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84962-98-1 4385787 144212106 Fns Sodium 3-(trihydroxysilyl)propyl methylphosphonate [Na+].O[Si](O)(O)CCCOP([O-])(C)=O Tox21_301789 -NCGC00256198-01 196710574 tox21-ror-cho-viability-p1 set2 4 1.33537474 5.18902832 3.60643082 2.67099668 4.90607273 2.85933654 0.54762532 1.48449383 0.22927213 0.23407695 -0.20907601 -0.77685355 -0.76099375 0.23668027 4.43805805 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33007-83-9 118379 144211956 F F 2,2-Bis{[(3-sulfanylpropanoyl)oxy]methyl}butyl 3-sulfanylpropanoate SCCC(=O)OCC(COC(=O)CCS)(COC(=O)CCS)CC Tox21_301639 -NCGC00255915-01 196710973 tox21-ror-cho-viability-p1 set2 4 3.55927851 -3.28401081 -0.20444182 -0.16155809 -3.05724093 -2.28342563 0.00565653 0.30452787 -2.33209329 -2.96978847 -0.8549882 0.40013281 -0.9015224 -0.62701534 -0.95805173 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 589-15-1 68527 144212378 F A 4-Bromobenzyl bromide BrCc1ccc(Br)cc1 Tox21_302061 -NCGC00090721-03 196707679 tox21-ror-cho-viability-p1 set1 4 0.0768023217 5.782408 -6.282408 -0.5 4.9549173134 0.3804160124 0.2917303356 0.15698835 -11.48534 -4.7526596 -8.79166362 -5.4162059 -6.06350499 5.21906188 -3.71549344 -5.62945894 0.05631053 -0.9227182 -3.66662482 2.14246981 0.22172293 2.83561496 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.0000016459999999 0.00000368 0.000008228 0.000018399999999 0.000041139999999 0.000091989999999 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00257022-01 196707270 tox21-ror-cho-viability-p1 set1 4 67.809736833 -29.357589076 -3 -32.357589076 0.8999999999 0.5324082364 0.1502991189 -1.19271309 0.21052504 -1.54196658 -0.58545078 -5.14532799 -8.1272559 -0.61366634 -2.70503928 -4.64455354 -3.23680871 -8.31550853 -13.24474322 -4.318801 -4.21632055 -23.63132423 7.9629999999E-10 1.781E-9 3.982E-9 8.9029999999E-9 1.991E-8 4.452E-8 9.954E-8 2.226E-7 4.9769999999E-7 0.000001113 0.000002489 0.000005565 0.00001244 0.000027819999999 0.00006221 20830-75-5 2724385 144213367 A A Digoxin O=C1C=C(CO1)[C@H]2CC[C@@]8(O)[C@]2(C)[C@H](O)C[C@H]4[C@H]8CC[C@@H]3C[C@H](CC[C@@]34C)O[C@@H]7O[C@H](C)[C@@H](O[C@H]6C[C@H](O)[C@H](O[C@H]5C[C@H](O)[C@H](O)[C@@H](C)O5)[C@@H](C)O6)[C@@H](O)C7 Tox21_303050 -NCGC00256333-01 196707272 tox21-ror-cho-viability-p1 set1 4 -3.89085405 -1.3518613 -4.45039805 -8.14523204 -8.94299502 -11.43685511 -4.86786608 -5.58472766 -5.85683262 -1.19735756 -3.91118179 -3.88061898 -0.72384071 -2.74134732 -12.17851208 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 137-09-7 8715 144213334 Ac Fns 2,4-Diaminophenol dihydrochloride Cl.Cl.Nc1ccc(O)c(N)c1 Tox21_303017 -NCGC00257497-01 196707669 tox21-ror-cho-viability-p1 set1 4 0.43148936 -1.53534991 5.11151941 -0.88565753 -0.21468664 1.99502978 3.02574992 -3.46720643 -0.97010764 4.40359728 2.25488275 1.81975453 -5.51473376 4.97712545 -0.56427725 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 138472-01-2 6437875 144213910 D FR900409 CC(C(=C/C(=N\O)C(=O)N)/CC)[N+]([O-])=O Tox21_303605 -NCGC00256554-01 196727658 tox21-ror-cho-viability-p1 set3 4 1.26923458 3.58293115 0.75583642 3.678484 2.42169248 0.12019122 2.93374485 0.1924306 4.40228686 0.08948945 -0.39812347 0.28445721 -0.95694316 -3.74204224 -2.84367551 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 318-98-9 62882 144213222 A A Propranolol hydrochloride Cl.CC(C)NCC(O)COc2cccc1ccccc12 Tox21_302905 -NCGC00256920-01 196727642 tox21-ror-cho-viability-p1 set3 4 27.2044687 17.49036565 13.62844418 15.46904689 -1.35574617 3.08658498 2.10610549 0.99244555 -0.49688437 4.16276092 -0.44765502 22.82363594 8.93712839 7.21199836 9.38456261 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-29-5 7984 144212938 A Ac Oxacycloheptadecan-2-one O=C1CCCCCCCCCCCCCCCO1 Tox21_302621 -NCGC00256628-01 196727651 tox21-ror-cho-viability-p1 set3 4 -5.4417552 2.45905364 -3.50449611 -1.31943669 -5.66545166 -4.71008852 -24.14009836 -2.48759115 -0.38753976 -2.40330839 -5.43868784 -24.48260206 -2.02840202 -0.97765062 -2.03266555 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17102-64-6 641256 144212865 Fns (2E,4E)-Hexa-2,4-dien-1-ol C\C=C\C=C\CO Tox21_302548 -NCGC00256722-01 196727653 tox21-ror-cho-viability-p1 set3 4 0.73780849 -1.59491041 4.25029901 5.47219306 5.39313358 -0.45811768 5.19965448 4.9658569 0.11405859 4.49530333 -0.8386372 4.73334791 -0.30986482 5.18680835 0.78808618 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 8000-34-8 144212855 M M Clove leaf oil Tox21_302538 -NCGC00257226-01 196727660 tox21-ror-cho-viability-p1 set3 4 1.48576377 3.10202322 0.71541668 1.08478651 0.6099364 2.01859369 -0.35962005 -1.78638589 2.28604806 2.28793213 3.1657336 1.55789262 -1.83788667 0.07140696 2.36269495 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-25-2 6877 144213514 A A Ethyl anthranilate Nc1ccccc1C(=O)OCC Tox21_303197 -NCGC00255323-01 196728058 tox21-ror-cho-viability-p1 set3 4 -0.92686813 -1.46546604 5.59027451 6.43629511 -13.33675825 -4.70238145 1.20609039 4.09838389 4.07970243 -9.43251211 1.2398632 5.76740461 11.41939962 6.09404213 0.34545771 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1896-62-4 637759 144211915 A A Methyl trans-styryl ketone CC(=O)/C=C/c1ccccc1 Tox21_301598 -NCGC00256719-01 196727315 tox21-ror-cho-viability-p1 set3 4 0.90256462 1.65893078 1.67756895 -0.88656696 3.25829275 1.84604734 4.55493078 3.27928561 0.06869939 1.32843739 1.57401581 1.19074643 4.75156054 4.34007638 3.96010446 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 304-20-1 9351 144212813 A A Hydralazine hydrochloride Cl.NNc2nncc1ccccc12 Tox21_302496 -NCGC00256445-01 196726905 tox21-ror-cho-viability-p1 set3 4 -0.10312876 -8.27749024 -0.96385609 -1.24886269 0.23369706 0.37351718 -4.07838991 0.80287209 0.55117697 -0.29333961 1.30814573 -0.06477894 -3.8769093 0.68706112 -0.2493261 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10034-93-2 24842 144213312 Hydrazine sulfate NN.O=S(=O)(O)O Tox21_302995 -NCGC00256562-01 196727301 tox21-ror-cho-viability-p1 set3 4 -4.19987476 0.18794455 -0.94496635 -4.33416513 -6.42401103 -3.18950124 -3.93380514 -0.42370751 -1.11514947 -3.69814185 -0.59404316 -4.26164782 -6.56594201 -4.24575575 -2.14449818 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 512-56-1 10541 144213057 A Ac Trimethyl phosphate O=P(OC)(OC)OC Tox21_302740 -NCGC00257156-01 196727308 tox21-ror-cho-viability-p1 set3 4 -4.23135261 -2.88139881 -2.42721027 0.43363659 -0.72194532 -2.40136987 -0.79387888 -3.7147072 -0.22788428 -2.15951095 -0.85367583 -4.49724834 -2.43444223 -1.62052022 -0.02608983 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 78-82-0 6559 144213359 FNS 2-Methylpropanenitrile CC(C)C#N Tox21_303042 -NCGC00256450-01 196727317 tox21-ror-cho-viability-p1 set3 4 13.6854287769 -6.8767592919 1 -5.8767592919 3.1319983358 0.8125474221 0.0062395163 1.23889834 -0.16211374 0.67116556 0.08499573 0.52736363 1.0632488 0.97180373 -0.21130328 2.21022749 2.07058059 4.8511742 0.38068061 -4.2327879 -5.35934014 -6.14729941 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-84-8 7583 144213094 A Ac Diphenyl oxide c1ccccc1Oc2ccccc2 Tox21_302777 -NCGC00256669-01 196727319 tox21-ror-cho-viability-p1 set3 1.4 0.0015355304 21.02772512 -22.52772512 -1.5 4.9549173134 0.8369786287 0.0033116249 -19.6064376 0 0 0 0 0 -0.03032084 -4.20339286 -2.49684567 0 -0.35615406 -0.65204812 -6.27545749 -2.82935998 -1.93472078 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 13816-33-6 26289 144212897 A F 4-Isopropylbenzonitrile CC(C)c1ccc(C#N)cc1 Tox21_302580 -NCGC00257437-01 196727320 tox21-ror-cho-viability-p1 set3 4 0.968854161 4.552072368 -0.052072368 4.5 1.0999999999 0.5098527937 0.1732579611 0.05308674 1.80289724 -0.1682781 -2.54339364 -0.45656003 3.07415182 -0.7858572 0.98216669 2.82348343 1.5210473 3.41098973 7.64594576 0.8018354 4.08113553 6.02248287 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24800-44-0 22833317 144213841 F Tripropylene glycol OC(OC(C)COC(O)CC)CC Tox21_303535 -NCGC00163919-02 196727322 tox21-ror-cho-viability-p1 set3 4 62.5631710251 -13.38605068 -1 -14.38605068 0.9999999999 0.4412895439 0.2343386395 -0.03022952 1.15514604 -1.02250824 0.14594965 -0.26778706 -6.14576106 -2.17295986 -1.00454105 0.35215572 -1.17472173 -8.32144934 2.0294757 -1.51107989 -7.1573815 -10.3217089 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00257386-01 196718698 tox21-ror-cho-viability-p1 set2 4 -0.92970515 1.89503208 4.57582915 1.99983721 -3.01781605 1.46072474 1.55131027 4.14135443 5.77276758 2.93656281 1.27531244 0.79137668 -1.80340434 -1.76396906 -3.2019795 1.044E-9 2.335E-9 5.22E-9 1.167E-8 2.61E-8 5.8369999999E-8 1.305E-7 2.918E-7 6.5249999999E-7 0.000001459 0.000003263 0.000007296 0.000016309999999 0.000036479999999 0.000081569999999 96-83-3 3735 144213787 A A Iopanoic acid Ic1cc(I)c(N)c(I)c1CC(CC)C(=O)O Tox21_303477 -NCGC00257464-01 196718299 tox21-ror-cho-viability-p1 set2 4 18.4308618821 11.13149734 -1.13149734 10 4.9549173134 0.7828169782 0.0154616653 -2.15957256 -1.95577424 -0.57524306 -2.56322593 2.60492219 -3.44291445 -2.47487776 -0.81852211 -1.74168422 0.58365381 -0.86744014 -1.16259264 -1.21194468 10.65345298 2.21016109 7.726E-10 1.7279999999E-9 3.8629999999E-9 8.638E-9 1.932E-8 4.319E-8 9.658E-8 2.1599999999E-7 4.829E-7 0.00000108 0.0000024149999999 0.0000053989999999 0.00001207 0.000027 0.00006036 520-18-3 5280863 144213678 A A Kaempferol Oc1ccc(cc1)C=3Oc2cc(O)cc(O)c2C(=O)C=3O Tox21_303363 -NCGC00256840-01 196718693 tox21-ror-cho-viability-p1 set2 4 0.0043277126 8.16260712 -3.16260712 5 0.4 0.3411260265 0.3325864045 -1.8021726 2.44758917 0.7043532 3.01623022 3.56182338 0.08814807 1.30031209 6.83263544 4.24779151 1.36760529 7.55968011 9.20655122 2.51378442 2.7494845 4.43713545 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-07-3 8380 144212920 C Ac Octyl decyl phthalate O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC Tox21_302603 -NCGC00257408-01 196718707 tox21-ror-cho-viability-p1 set2 4 1.61913716 0.80602557 0.72085639 0.20661977 1.93691855 5.67520251 1.6851366 6.18986801 0.90607103 2.68954538 3.74704209 3.58563443 1.21163146 3.35368051 0.60295966 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25496-72-4 5319879 144213851 Ac A Glyceryl monooleate OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC Tox21_303545 -NCGC00258408-01 196716656 tox21-ror-cho-viability-p1 set2 4 0.3688436 -2.5316758 3.52485769 2.36067682 3.59745007 -0.12352533 1.60178959 2.17664425 3.27431233 -0.99510787 2.82922605 1.67223129 1.49095248 -0.09090326 -2.32039591 1.1859999999E-9 2.6519999999E-9 5.929E-9 1.326E-8 2.964E-8 6.629E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.0000037059999999 0.000008286 0.00001853 0.000041429999999 0.00009264 76-43-7 6446 144208052 A A Fluoxymestrone C[C@]4(O)CC[C@@H]2[C@]4(C)C[C@H](O)[C@]1(F)[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_200854 -NCGC00090789-02 196716649 tox21-ror-cho-viability-p1 set2 4 2.07175608 -7.25283495 -3.33702322 -3.26261765 -12.26440245 2.90416864 0.91102314 -1.67082818 -2.75133709 0.79987113 -5.38664106 -6.11368829 -7.06151807 0.0409829 -2.26367687 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00258406-01 196716652 tox21-ror-cho-viability-p1 set2 4 0.29595198 3.37866127 0.0671169 1.8667142 2.95021268 -8.41493115 -1.00177457 3.02993521 1.36554312 0.64276552 2.47820327 -24.21138903 0.33379367 0.63141404 -2.43666158 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.00009229 5437-38-7 21575 144208050 A A 3-Methyl-2-nitrobenzoic acid O=[N+]([O-])c1c(C)cccc1C(=O)O Tox21_200852 -NCGC00257733-01 196716655 tox21-ror-cho-viability-p1 set2 4 5.56915494 3.75844946 1.29230736 0.79945107 1.89562368 2.38525349 -1.35142904 -0.58596098 3.91736305 -1.63710802 4.01761565 3.26074251 0.43907183 2.91687367 -0.99065536 1.218E-9 2.723E-9 6.088E-9 1.361E-8 3.044E-8 6.807E-8 1.522E-7 3.403E-7 7.61E-7 0.000001702 0.000003805 0.0000085079999999 0.000019019999999 0.000042539999999 0.00009512 763-69-9 12989 144207377 A A Ethyl 3-ethoxypropionate CCOCCC(=O)OCC Tox21_200179 -NCGC00258187-01 196716660 tox21-ror-cho-viability-p1 set2 4 -0.31493061 -3.40555714 -0.97432842 -3.19660221 1.12548523 -1.38824871 -0.41743008 -0.11153593 -4.37850768 1.20486787 -2.70853379 0.20194331 -2.80475615 1.60004794 2.68576156 1.241E-9 2.7739999999E-9 6.203E-9 1.387E-8 3.101E-8 6.935E-8 1.5509999999E-7 3.4679999999E-7 7.7539999999E-7 0.0000017339999999 0.0000038769999999 0.000008669 0.000019379999999 0.00004334 0.00009692 78-76-2 6554 144207831 AC F 2-Bromobutane BrC(C)CC Tox21_200633 -NCGC00094561-06 196717056 tox21-ror-cho-viability-p1 set2 4 0.3349145963 -6.407173916 5.5 -0.907173916 4.9549173134 0.7412810815 0.0225570975 3.99359153 1.84135199 4.25951542 5.46654979 5.37264261 6.81838095 7.03413263 9.79409494 1.01100975 0.08037714 0.41683481 -2.42264493 -1.65881467 0.3318559 -1.33801394 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26002-80-2 4767 170465585 A Phenothrin C/C(C)=C/C3C(C(=O)OCc2cccc(Oc1ccccc1)c2)C3(C)C Tox21_111297_1 -NCGC00095049-04 196717057 tox21-ror-cho-viability-p1 set2 4 -6.8199134 -1.20083582 -4.10543804 -4.92718221 -0.72224727 -6.39577439 -1.76594927 0.87746154 -0.88040659 0.47496423 -0.89314199 -4.16684655 -0.26525732 -2.63077284 -9.7251455 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53370-90-4 3316 170465990 A Exalamide NC(=O)c1ccccc1OCCCCCC Tox21_111403_1 -NCGC00178238-05 196717060 tox21-ror-cho-viability-p1 set2 4 0.55245078 0.25434018 0.85067506 0.53774204 -1.2983513 1.75845445 0.37946973 0.36781434 1.79595209 5.53869794 5.85573692 1.36120294 5.22210297 1.13204125 5.37463052 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3092-17-9 18340 170464672 A Midodrine hydrochloride Cl.COc1ccc(cc1C(O)CNC(=O)CN)OC Tox21_110529_1 -NCGC00247707-01 196717064 tox21-ror-cho-viability-p1 set2 4 -6.00848399 -6.438505 0.47802332 -2.73377945 -3.46789391 -0.27914146 -5.43973085 -4.81786858 -7.7033608 1.93607017 0.32381025 0.39816042 -4.04721828 0.73157768 2.03150664 1.166E-9 2.608E-9 5.831E-9 1.304E-8 2.9149999999E-8 6.5189999999E-8 1.458E-7 3.26E-7 7.288E-7 0.0000016299999999 0.0000036439999999 0.000008149 0.00001822 0.00004074 0.00009111 6211-15-0 6321225 144206414 Z Z Morphine sulfate pentahydrate O.O.O.O.O.O=S(=O)(O)O.Oc5ccc1C[C@H]2N(C)CC[C@]43c1c5O[C@H]4[C@@H](O)C=C[C@@H]23.Oc1ccc2C[C@H]4N(C)CC[C@@]35[C@@H](Oc1c23)[C@@H](O)C=C[C@@H]45 Tox21_112861 -NCGC00090708-05 196699452 tox21-ror-cho-viability-p1 set1 -1.2 7.6958821542 -40.402113941 -5.628016219 -46.03013016 2.3331733767 0.9599162914 0.0000024794 -5.67473787 -7.68207186 -5.42133289 -7.48394252 -5.76026381 -2.82887296 -1.69496454 -6.77836441 -5.78917212 -9.67526434 -11.44142103 -26.85257988 -41.40416734 -52.63555225 -38.67542879 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00090827-04 196701936 tox21-ror-cho-viability-p1 set1 4 4.354132359 -9.5342230521 -7.5100637599 -17.044286812 0.4 0.3313577414 0.3558317283 -12.8232018 -4.5917198 -6.98357033 -8.74729808 -11.88670536 -5.42489792 -10.6579635 -11.47521289 -5.58143773 -12.11601993 -13.19941668 -15.87023901 -14.02685785 -11.63090668 -2.50758354 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00258461-01 196701940 tox21-ror-cho-viability-p1 set1 4 43.8940033243 10.02534032 -4.52534032 5.5 3.9294729863 0.4203100816 0.2538242463 -6.87085313 -10.4377836 -4.86240528 0.07563659 -0.57185367 -2.44219922 -3.99808473 0.13303263 -4.06446102 -9.1705157 -5.50606129 -7.40751217 -6.47432474 0.04095969 4.94454091 1.194E-9 2.6689999999E-9 5.969E-9 1.335E-8 2.9839999999E-8 6.6729999999E-8 1.4919999999E-7 3.337E-7 7.4609999999E-7 0.000001668 0.0000037309999999 0.000008342 0.00001865 0.00004171 0.00009326 500-64-1 5281565 144208105 A A Kavain O=C2C=C(C[C@H](/C=C/c1ccccc1)O2)OC Tox21_200907 -NCGC00254677-01 196699877 tox21-ror-cho-viability-p1 set1 4 4.77070141 -2.52405059 2.81172859 2.67912157 -0.75735297 1.63298894 -0.21829803 4.85678305 1.21123974 3.09868493 4.19842693 0.31298241 -1.15196553 -1.31702756 3.44478159 1.1689999999E-9 2.6129999999E-9 5.843E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.461E-7 3.2659999999E-7 7.3029999999E-7 0.0000016329999999 0.000003652 0.0000081649999999 0.00001826 0.000040829999999 0.00009129 24307-26-4 62781 144211090 A Mepiquat chloride [Cl-].C[N+]1(C)CCCCC1 Tox21_300773 -NCGC00244579-01 196699457 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -35.218717768 0.5 -34.718717768 4.9549173134 0.9701249502 4.769E-7 -0.39945284 -1.19455092 1.10669298 -1.21030023 0.74387191 0.71632934 0.38955891 -0.26023582 -0.75749958 0.22971121 1.62075424 -0.30062407 0.97982855 1.30474109 -28.51559814 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00255099-01 196699472 tox21-ror-cho-viability-p1 set1 4 46.7580044225 -19.8152623879 -1.5 -21.3152623879 1.0999999999 0.6726883413 0.0517738625 1.04743985 -5.40465735 -0.88227143 -1.56030109 -4.0974631 -2.75823335 0.82877666 -1.72255948 0.34392796 -2.02625734 -5.91748108 0.4935186 -9.25347899 -6.13975157 -16.09605199 9.438E-10 2.11E-9 4.719E-9 1.055E-8 2.3589999999E-8 5.276E-8 1.1799999999E-7 2.6379999999E-7 5.899E-7 0.000001319 0.0000029489999999 0.0000065949999999 0.00001475 0.00003297 0.00007373 1689-84-5 15531 144211519 A A Bromoxynil Brc1cc(cc(Br)c1O)C#N Tox21_301202 -NCGC00254230-01 196699878 tox21-ror-cho-viability-p1 set1 4 -0.60175542 -6.02365564 -1.90601965 -0.39830519 1.37564283 -2.49410265 -1.61524317 -1.51890146 -2.41102946 -2.55812952 -1.04985777 0.27526042 -1.39620206 1.04869495 0.86971609 8.7889999999E-10 1.965E-9 4.394E-9 9.826E-9 2.1969999999E-8 4.913E-8 1.099E-7 2.457E-7 5.493E-7 0.000001228 0.0000027469999999 0.000006141 0.000013729999999 0.00003071 0.00006866 159138-81-5 178019 144210551 A A Cariporide mesylate O=S(C)(=O)c1cc(ccc1C(C)C)C(=O)/N=C(\N)N.CS(=O)(=O)O Tox21_300231 -NCGC00254383-01 196699885 tox21-ror-cho-viability-p1 set1 4 0.10031368 0.91279889 0.49400885 1.20781881 0.19780956 -0.05908027 0.26103227 -0.4266896 0.19514965 0.3074555 -3.97930935 -2.68970439 3.64172452 1.20169995 2.3078043 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112733-06-9 5724 144210777 A A Zenarestat Brc3ccc(CN2C(=O)c1ccc(Cl)cc1N(CC(=O)O)C2=O)c(F)c3 Tox21_300459 -NCGC00254275-01 196699890 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -17.020437296 1.5 -15.520437296 4.9549173134 0.8273809276 0.0042995572 0.72253781 2.11694648 -0.45120342 -1.28660861 0.70791758 3.18706592 0.65262061 -0.92669809 1.57138038 2.04007178 4.55029627 2.76215112 3.25886121 1.16149772 -12.51703108 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 446-72-0 5280961 144210902 A A Genistein Oc1ccc(cc1)C3=COc2cc(O)cc(O)c2C3=O Tox21_300585 -NCGC00254816-01 196699891 tox21-ror-cho-viability-p1 set1 4 92.3947038773 11.9185800279 -1.9185800279 10 3.6772481694 0.5799391138 0.112999234 -1.06493114 -2.46387024 -3.15669317 1.15550196 1.43390025 -7.84881669 -2.71657754 -2.227182 -0.74972437 -4.10379916 -1.83071262 -2.72249029 2.02412447 0.79763407 8.75755538 2.017E-9 4.5099999999E-9 1.008E-8 2.255E-8 5.042E-8 1.1269999999E-7 2.521E-7 5.637E-7 0.00000126 0.000002818 0.0000063019999999 0.000014089999999 0.00003151 0.000070459999999 0.00015759999999 556-61-6 11167 144211229 FNS Methyl isothiocyanate C\N=C=S Tox21_300912 -NCGC00091163-03 196700290 tox21-ror-cho-viability-p1 set1 4 -7.69457964 -13.11420614 -3.53127757 -6.24587481 -4.95688417 -11.83964267 -3.67204058 -10.13512865 -20.16348247 -7.99778443 -14.07830175 -7.98256817 -6.9404017 -16.85127974 -18.50528758 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00255291-01 196700293 tox21-ror-cho-viability-p1 set1 4 2.61543764 0.29047465 1.70860033 2.05274141 1.78264519 0.45464621 2.50508415 7.49735585 -0.47707456 7.18799847 5.71123983 0.36167019 2.7208544 0.27153729 0.06306215 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-03-7 8830 144211831 A A Dibutyl butanedioate O=C(CCC(=O)OCCCC)OCCCC Tox21_301514 -NCGC00259270-01 196708927 tox21-ror-cho-viability-p1 set2 4 2.53208098 3.30922732 4.78835591 3.92916181 3.21790919 0.61364723 0.35222121 2.01484882 -0.65870784 -1.53677692 3.86053261 3.51309118 5.30263988 6.40958997 3.05872446 1.1989999999E-9 2.6809999999E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.701E-8 1.4979999999E-7 3.351E-7 7.492E-7 0.000001675 0.000003746 0.000008377 0.00001873 0.00004188 0.00009365 4792-15-8 62551 144208919 A A Pentaethylene glycol OCCOCCOCCOCCOCCO Tox21_201721 -NCGC00258843-01 196708922 tox21-ror-cho-viability-p1 set2 4 1.83865186 -2.19273046 -4.62380043 -2.05073401 -0.91364394 -1.43908619 -3.03250933 -3.29767657 -0.83535451 -0.56171327 -4.23610977 -4.18721057 -1.34010263 -4.65762874 -6.79510565 1.173E-9 2.6229999999E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.3299999999E-7 0.0000016389999999 0.000003665 0.000008195 0.00001833 0.00004098 0.000091629999999 57-63-6 5991 144208489 A A 17alpha-Ethinylestradiol Oc3cc4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@@]1(O)C#C)c4cc3 Tox21_201291 -NCGC00259185-01 196708924 tox21-ror-cho-viability-p1 set2 4 -0.11520911 0.69492284 -0.36318097 1.48611826 2.25174765 0.67226172 0.60303253 3.06309374 2.76361635 3.33633806 2.60092825 0.69327503 1.95269148 -0.13031806 0.31146952 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004136 0.00009247 99-59-2 7447 144208834 A A 2-Methoxy-5-nitroaniline Nc1cc(ccc1OC)[N+]([O-])=O Tox21_201636 -NCGC00259788-01 196708925 tox21-ror-cho-viability-p1 set2 -3 69.008347349 -94.7045293575 0.537370441 -94.1671589165 4.5044702849 0.954160795 0.0000052139 2.66552956 0.07131727 -3.22002217 -13.34470108 2.15941027 1.55237084 1.46583366 1.2139638 1.28535143 4.89045518 3.70552528 1.02299469 2.76471209 -8.69066242 -74.73584041 1.1859999999E-9 2.653E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001854 0.00004145 0.00009268 789-02-6 13089 144209437 A A o,p'-DDT Clc2ccccc2C(c1ccc(Cl)cc1)C(Cl)(Cl)Cl Tox21_202239 -NCGC00258929-01 196708935 tox21-ror-cho-viability-p1 set2 4 7.20428386 3.83212223 1.59096578 9.18331821 2.83546584 2.38722687 0.89389998 4.69715608 3.23366673 6.94881427 6.67843665 2.96022205 6.07635028 8.05080027 -0.69825739 1.164E-9 2.603E-9 5.8199999999E-9 1.301E-8 2.91E-8 6.507E-8 1.4549999999E-7 3.254E-7 7.275E-7 0.0000016269999999 0.0000036379999999 0.000008134 0.00001819 0.00004067 0.00009094 814-80-2 13144 144208576 A A Calcium lactate [Ca+2].CC(O)C([O-])=O.[O-]C(=O)C(C)O Tox21_201378 -NCGC00258859-01 196708939 tox21-ror-cho-viability-p1 set2 4 -1.88976992 -1.87968193 0.96152943 -2.30691381 -1.75647121 -0.77532124 0.47639878 -0.66869028 0.99641955 -1.96149797 -0.03304786 -0.77031804 -1.37306719 0.89670734 0.71292179 1.193E-9 2.6689999999E-9 5.967E-9 1.3339999999E-8 2.9839999999E-8 6.672E-8 1.4919999999E-7 3.3359999999E-7 7.4589999999E-7 0.000001668 0.00000373 0.00000834 0.00001865 0.0000417 0.00009324 2835-39-4 17816 144208505 AC Fc Allyl isovalerate CC(C)CC(=O)OCC=C Tox21_201307 -NCGC00259713-01 196709333 tox21-ror-cho-viability-p1 set2 4 -2.20059175 -0.61706036 -3.59236405 -4.14057287 2.44636889 -4.24559744 1.84862231 -2.54746847 -2.41137565 -0.53480012 -2.17942038 -2.93989834 -1.72495208 -2.29404045 -0.97841181 1.1999999999E-9 2.683E-9 6E-9 1.3419999999E-8 3E-8 6.708E-8 1.5E-7 3.3539999999E-7 7.5E-7 0.000001677 0.0000037499999999 0.000008385 0.00001875 0.00004193 0.00009375 110-43-0 8051 144209362 AC Fns 2-Heptanone CC(=O)CCCCC Tox21_202164 -NCGC00258998-01 196709331 tox21-ror-cho-viability-p1 set2 4 0.25045767 -2.54729561 3.07758597 -2.37079027 2.58102039 4.19762003 1.99837302 -0.21841793 1.82797953 -1.47697897 2.63609175 3.82721553 5.67074029 3.93096026 2.84052937 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.9479999999E-8 6.591E-8 1.474E-7 3.295E-7 7.369E-7 0.000001648 0.000003684 0.000008239 0.00001842 0.00004119 0.00009211 15879-93-3 7057995 144208645 A A Chloralose OC[C@@H](O)[C@H]1O[C@@H]2O[C@@H](O[C@@H]2[C@H]1O)C(Cl)(Cl)Cl Tox21_201447 -NCGC00259895-01 196709334 tox21-ror-cho-viability-p1 set2 4 6.0951986 3.62823759 0.37674921 -0.08124309 3.77273591 3.02168773 1.71883344 0.69163822 3.93617452 1.91539897 2.35803577 2.18142081 5.99088433 4.85589373 2.62298666 1.491E-9 3.334E-9 7.455E-9 1.667E-8 3.7269999999E-8 8.3349999999E-8 1.864E-7 4.167E-7 9.3179999999E-7 0.000002084 0.000004659 0.00001042 0.0000233 0.00005209 0.0001165 29590-42-9 165746 144209544 D Isooctyl acrylate CC(C)CCCCCOC(=O)C=C Tox21_202346 -NCGC00164077-02 196709374 tox21-ror-cho-viability-p1 set2 4 17.2289340586 9.885295416 0.114704584 10 0.8999999999 0.5226386468 0.1776568359 2.8892697 -4.48774618 -1.63375229 0.10860076 0.22416608 0.50002058 3.80422512 0.27432968 2.66796939 -0.55646281 2.86127904 1.45482039 6.695943 6.84363433 -2.11643789 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00259843-01 196709358 tox21-ror-cho-viability-p1 set2 -2.4 46.4203885942 -32.08714046 2 -30.08714046 1.9673362061 0.9805364005 4.08E-8 0.58805513 1.01712219 3.81870329 1.52913412 1.53640236 3.65513927 2.94529373 2.5251724 3.29910687 0.9889559 1.55301056 2.37753185 -2.92200296 -13.2694944 -23.82261705 1.251E-9 2.796E-9 6.253E-9 1.3979999999E-8 3.126E-8 6.991E-8 1.563E-7 3.4949999999E-7 7.816E-7 0.0000017479999999 0.000003908 0.000008739 0.00001954 0.00004369 0.0000977 2310-17-0 4793 144209492 A A Phosalone CCOP(=S)(OCC)SCN1c2ccc(Cl)cc2OC1=O Tox21_202294 -NCGC00259312-01 196709367 tox21-ror-cho-viability-p1 set2 4 -0.38293872 -3.93293675 -3.79210595 0.33713181 -3.0282631 -2.82188492 0.65570547 -2.22147896 -2.95274761 -3.41184871 -2.39790438 0.20149035 -1.7570561 -8.64075803 -7.09515823 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.000003681 0.00000823 0.000018399999999 0.00004115 0.00009201 933-75-5 13618 144208961 A A 2,3,6-Trichlorophenol Oc1c(Cl)ccc(Cl)c1Cl Tox21_201763 -NCGC00258901-01 196709373 tox21-ror-cho-viability-p1 set2 3 69.4274967035 65.0346399259 -2.0362061919 62.998433734 4.9549173134 0.8176394068 0.0053596986 4.02451173 0.42223675 4.85157348 1.1392983 -3.72546981 -0.04156652 0.03775765 0.37104417 -0.52751691 0.16574834 0.17903598 -1.3073758 -20.80360843 -6.20610831 51.33701119 1.1919999999E-9 2.6649999999E-9 5.96E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.332E-7 7.45E-7 0.0000016659999999 0.000003725 0.000008329 0.00001862 0.000041649999999 0.00009312 13048-33-4 25644 144208547 A A 1,6-Hexanediol diacrylate C=CC(=O)OCCCCCCOC(=O)C=C Tox21_201349 -NCGC00256081-01 196728892 tox21-ror-cho-viability-p1 set3 4 0 0.28795852 -3.91028337 7.23528004 5.12764312 1.09887656 9.41671116 -2.1762392 -3.90129412 7.97023385 -2.61851912 1.89451094 -6.9488459 -2.93576418 -2.26179678 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3386-87-6 76921 144211791 A A 3,3'-(Ethylenedioxy)dipropiononitrile N#CCCOCCOCCC#N Tox21_301474 -NCGC00256007-01 196728074 tox21-ror-cho-viability-p1 set3 4 -2.01752714 3.07722293 4.09826269 2.84390956 17.10188349 2.18335921 5.30329758 8.29627444 5.87119693 0.58679877 3.31582098 3.54018914 0.20378181 -0.63467907 1.45031591 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19819-98-8 88267 144212604 A A 2-Methylphenethyl alcohol OCCc1ccccc1C Tox21_302287 -NCGC00255767-01 196728477 tox21-ror-cho-viability-p1 set3 4 10.8707224818 -13.428928672 -1 -14.428928672 2.7202212143 0.783669145 0.0110510371 -5.92332231 1.3393319 -0.82457576 2.90919569 -0.13630222 -0.92888117 -3.44280202 -4.86078707 -1.59857319 3.83799404 -3.16118322 -4.43878424 -13.30796842 -15.35744056 -12.40623108 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-92-1 7268 144212426 Ac Diethyl oxalate CCOC(=O)C(=O)OCC Tox21_302109 -NCGC00255683-01 196728890 tox21-ror-cho-viability-p1 set3 -1.2 30.6378586933 -47.6996193828 -4.232788413 -51.9324077958 4.0949729863 0.9241203481 0.0000784515 -1.59626078 -3.75164626 -1.51195078 -9.34867191 -0.72911597 1.41375884 -12.96105891 0.80344419 -3.96735564 -9.48168511 -7.07721511 1.04043634 -10.81446358 -41.39293983 -50.91412529 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22978-25-2 644213 144212310 A A 2-Chloro-5-nitro-N-phenylbenzamide O=C(Nc1ccccc1)c2cc(ccc2Cl)[N+]([O-])=O Tox21_301993 -NCGC00256235-01 196728906 tox21-ror-cho-viability-p1 set3 4 10.8707224818 17.318796676 -4.318796676 13 2.7202212143 0.6066640432 0.105916733 -1.89498317 2.68349437 -5.37704337 -1.49209159 2.01659876 -12.34899723 -11.24005564 -2.50264924 -10.0452081 -6.02146558 -1.47999342 -1.20951859 12.76461138 10.84047476 1.19858064 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3698-89-3 77287 144211582 Ac Fns 1-(Methylsulfanyl)dodecane CSCCCCCCCCCCCC Tox21_301265 -NCGC00255300-01 196728912 tox21-ror-cho-viability-p1 set3 4 3.79950805 -3.7325461 6.520407 -0.8496086 7.34401631 9.33884264 -3.66080842 -11.19414447 13.69918574 0.9770785 5.15428035 9.24180162 12.28459308 9.50021348 2.17027325 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 137-42-8 5366415 144212678 Ac Metam-sodium [Na+].[S-]C(=S)NC Tox21_302361 -NCGC00258251-01 196729315 tox21-ror-cho-viability-p1 set3 -1.1 17.299041594 -78.3514241655 1.548220514 -76.8032036515 1.92824246 0.985706921 6.7E-9 1.80640234 0.01197654 0.89229543 -1.18741848 -0.83910457 0.04756267 0.67942583 9.4358872 2.14910318 1.14164501 -2.88475428 -16.11455733 -37.63170653 -69.35628132 -70.08190766 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 258864-54-9 11375816 144207895 A A Trihexyltetradecylphosphonium chloride [Cl-].CCCCCC[P+](CCCCCC)(CCCCCC)CCCCCCCCCCCCCC Tox21_200697 -NCGC00257622-01 196729721 tox21-ror-cho-viability-p1 set3 4 8.6700588009 -8.74394782 0.5 -8.24394782 3.6772481694 0.834704665 0.0035552086 1.75008725 0.71645852 1.1453786 -1.11007431 1.00640354 0.37918088 1.9262176 -1.44770319 -0.97729953 -0.87875386 1.57135449 -4.30546109 -6.01501474 -11.45328985 -6.43397769 1.1839999999E-9 2.647E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.619E-8 1.4799999999E-7 3.309E-7 7.4E-7 0.000001655 0.0000037 0.0000082729999999 0.0000185 0.00004137 0.0000925 102-07-8 7595 144207266 A A Diphenylurea O=C(Nc1ccccc1)Nc2ccccc2 Tox21_200068 -NCGC00257576-01 196729730 tox21-ror-cho-viability-p1 set3 4 -0.78203757 0.02314439 1.12254079 -0.75534191 -3.15064037 -6.4218229 -8.3860585 -9.56195528 -24.48927451 -18.8826228 -13.85290367 -6.16301575 2.7427931 3.16438133 2.04016432 1.183E-9 2.6459999999E-9 5.916E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.395E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 554-84-7 11137 144207220 A A 3-Nitrophenol O=[N+]([O-])c1cccc(O)c1 Tox21_200022 -NCGC00255263-01 196728968 tox21-ror-cho-viability-p1 set3 4 0.418751 5.07945499 -2.13436065 -4.55615433 -1.69503848 1.02355513 0.20165163 -0.16348278 2.71686936 -0.16311643 -2.97851056 -0.004317 -2.79928163 -2.04482348 -0.04845639 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1559-34-8 73791 144211659 A A 3,6,9,12-Tetraoxahexadecan-1-ol OCCOCCOCCOCCOCCCC Tox21_301342 -NCGC00255722-01 196728150 tox21-ror-cho-viability-p1 set3 4 -1.54348297 5.22832067 3.42530434 2.04088928 0.66721154 1.99218699 4.01677847 0.12129912 -0.33480658 0.58199534 2.53364744 0.39409604 0.85030611 -3.61709656 2.09765604 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1907-65-9 61285 144212115 A A N-Butyl-p-toluenesulfonamide Cc1ccc(cc1)S(=O)(=O)NCCCC Tox21_301798 -NCGC00256013-01 196728570 tox21-ror-cho-viability-p1 set3 4 0.36232059 -1.69778269 -0.74883085 0.14800009 -0.32037942 0.5815087 2.53869595 1.45061152 3.54692534 -1.94796317 3.17042978 -0.81634152 -2.52736426 0.80818673 -1.36866001 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3027-21-2 18193 144211560 F F Dimethoxy(methyl)phenylsilane CO[Si](C)(OC)c1ccccc1 Tox21_301243 -NCGC00256207-01 196728574 tox21-ror-cho-viability-p1 set3 1.2 6.8589621897 56.2920171446 0.209496208 56.5015133526 2.9022712143 0.9614511179 0.000005492 5.88210269 -3.39078198 6.13377515 1.27677416 -4.95874251 7.30904479 -5.65875316 -3.18503311 -0.95398578 0.895811 6.41831524 35.70943783 50.5889273 58.97629917 43.14545932 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19750-95-9 12336279 144211729 A C Chlordimeform hydrochloride Cl.Clc1cc(C)c(/N=C/N(C)C)cc1 Tox21_301412 -NCGC00256296-01 196728979 tox21-ror-cho-viability-p1 set3 -2.4 15.3553036427 -23.040313128 -2 -25.040313128 2.3331733767 0.8049326336 0.0071618874 -1.89849313 3.23281813 0.66891303 -1.84819545 -6.81407756 -4.45266402 0.13509762 -4.23681307 -5.53604088 -4.17407588 -0.65935878 1.96543248 -21.86319684 -18.53075653 -26.70026094 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16588-34-4 85505 144211929 Cc A 4-Chloro-3-nitrobenzaldehyde O=[N+]([O-])c1cc(ccc1Cl)C=O Tox21_301612 -NCGC00255439-01 196728972 tox21-ror-cho-viability-p1 set3 4 -2.58202973 3.4165304 4.66525925 0.86607029 -1.81561833 0.92940111 3.43662488 3.37207504 2.67755709 -0.84861984 2.77926085 -3.95315696 1.04094699 -0.14850949 -1.62779969 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7011-83-8 285097 144212629 A A Dihydrojasmone lactone O=C1CCC(C)(CCCCCC)O1 Tox21_302312 -NCGC00164127-03 196728983 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -124.4868865182 -0.5546927763 -125.0415792945 4.9549173134 0.947245066 0.0000112564 3.31131975 4.64607676 7.76893538 -0.86290207 -3.47746745 -6.42604251 -3.69050346 -4.18763764 -8.80720204 3.42633697 -4.26900326 -5.76584748 -4.32526707 4.74794047 -103.16961988 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00255915-01 196728984 tox21-ror-cho-viability-p1 set3 4 61.130564862 -24.4498970119 0 -24.4498970119 2.9022712143 0.7351897203 0.0243182918 -5.15547099 5.01036566 -2.90716418 5.15158736 2.58630697 4.10256646 -2.47658146 -0.41886982 -0.65785282 -2.86571254 -0.29194824 1.1755797 -1.40163186 -5.97112424 -18.70824751 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 589-15-1 68527 144212378 F A 4-Bromobenzyl bromide BrCc1ccc(Br)cc1 Tox21_302061 -NCGC00255119-01 196728985 tox21-ror-cho-viability-p1 set3 4 -2.37974974 4.47955915 4.31740956 -3.42438464 0.68044346 3.34388391 4.20214128 -0.38796726 1.07790494 -0.44263919 4.28653381 -0.70248719 0.39469864 -0.23136295 -1.91905753 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 363-17-7 9690 144212208 A A N-(2-Fluorenyl)-2,2,2-trifluoroacetamide FC(F)(F)C(=O)Nc1ccc2c3ccccc3Cc2c1 Tox21_301891 -NCGC00258370-01 196729388 tox21-ror-cho-viability-p1 set3 4 55.2037439078 17.630244864 -4.130244864 13.5 2.6384283767 0.7876606678 0.0103263564 -4.1744735 -3.80376083 -6.62881112 -6.20120924 -7.19187072 -5.25100319 -1.38374505 -2.34235056 -5.04071132 -1.04096125 -2.92020419 -2.03071767 -1.39333966 0.63543165 10.02072297 1.193E-9 2.667E-9 5.964E-9 1.3339999999E-8 2.982E-8 6.668E-8 1.491E-7 3.3339999999E-7 7.455E-7 0.0000016669999999 0.000003728 0.000008335 0.00001864 0.00004168 0.00009319 15318-45-3 27200 144208014 A A Thiamphenicol O=S(C)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_200816 -NCGC00258282-01 196729402 tox21-ror-cho-viability-p1 set3 -2.4 61.5659893405 -34.9336295999 1 -33.9336295999 2.6384283767 0.9391236872 0.0000245752 0.05641138 0.69896921 0.56948923 2.26839152 0.35636199 0.38813828 0.86839011 3.2401287 4.98744833 -1.21164961 2.46564989 1.73094847 -3.68331199 -6.90618576 -25.361358 1.187E-9 2.653E-9 5.9329999999E-9 1.327E-8 2.9669999999E-8 6.633E-8 1.4829999999E-7 3.317E-7 7.416E-7 0.0000016579999999 0.000003708 0.000008292 0.00001854 0.00004146 0.000092709999999 882-33-7 13436 144207926 A Diphenyl disulfide S(Sc1ccccc1)c2ccccc2 Tox21_200728 -NCGC00258568-01 196729403 tox21-ror-cho-viability-p1 set3 4 -0.64429093 3.96889245 2.08531507 0.78223406 -0.41231259 3.88579678 2.63734573 0.17443903 3.52657128 3.66419331 -0.30065092 5.0846695 7.12759709 1.9513581 1.50746717 1.226E-9 2.742E-9 6.13E-9 1.371E-8 3.065E-8 6.854E-8 1.5329999999E-7 3.4269999999E-7 7.663E-7 0.0000017139999999 0.000003832 0.000008568 0.00001916 0.00004284 0.00009579 111-78-4 82916 144208213 FNS 1,5-Cyclooctadiene C1=CCCC=CCC1 Tox21_201015 -NCGC00257774-01 196730303 tox21-ror-cho-viability-p1 set3 4 13.6854287769 8.995532308 -4.495532308 4.5 0.7999999999 0.6139078368 0.0885383147 -6.01484377 -2.75373717 0.13847797 -5.2114454 -4.8177287 -6.04390665 -6.03196479 -5.59881262 -6.66294359 -0.09639999 -0.92979586 -0.99171715 0.2517261 0.23614144 4.0353238 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 613-93-4 11954 144207418 A A N-Methylbenzamide O=C(NC)c1ccccc1 Tox21_200220 -NCGC00257997-01 196729484 tox21-ror-cho-viability-p1 set3 4 1.2582674783 10.918918352 -7.918918352 3 0.3 0.5650303588 0.1249970111 -9.93243196 -6.44689598 -1.41543384 -6.60328131 -2.46684331 -6.845685 -6.18514683 -2.30796628 -6.34327703 -0.17327211 -1.14390193 0.40566562 -1.40165459 -0.15222139 1.07720077 1.211E-9 2.709E-9 6.056E-9 1.3539999999E-8 3.028E-8 6.771E-8 1.514E-7 3.386E-7 7.5709999999E-7 0.000001693 0.0000037849999999 0.000008464 0.00001893 0.00004232 0.00009463 144-19-4 8946 144207641 A A 2,2,4-Trimethyl-1,3-pentanediol CC(C)(CO)C(O)C(C)C Tox21_200443 -NCGC00258737-01 196729894 tox21-ror-cho-viability-p1 set3 4 4.69976069 2.47660895 0.32872266 3.32313 -0.00645302 0.52251369 -1.68044953 -0.1048628 0.07076666 -1.05230872 -2.94535368 -1.81427488 -1.63933844 1.88409949 4.50788076 1.193E-9 2.667E-9 5.963E-9 1.333E-8 2.982E-8 6.6669999999E-8 1.491E-7 3.3339999999E-7 7.4539999999E-7 0.0000016669999999 0.0000037269999999 0.0000083339999999 0.00001864 0.00004167 0.00009318 107-94-8 7899 144208383 A A 3-Chloropropanoic acid ClCCC(=O)O Tox21_201185 -NCGC00257932-01 196730297 tox21-ror-cho-viability-p1 set3 4 -0.11172619 0.75116277 -0.83806206 1.45376382 1.30553668 -0.92872133 1.15142574 2.03010099 0.86608923 2.13293708 0.47783744 1.82978152 -0.57057376 -0.18601375 -6.34922696 1.167E-9 2.61E-9 5.837E-9 1.305E-8 2.918E-8 6.5259999999E-8 1.459E-7 3.2629999999E-7 7.296E-7 0.000001631 0.000003648 0.000008157 0.000018239999999 0.000040789999999 0.0000912 94-25-7 2482 144207576 A A Butyl 4-aminobenzoate Nc1ccc(cc1)C(=O)OCCCC Tox21_200378 -NCGC00163843-03 196707263 tox21-ror-cho-viability-p1 set1 4 9.47451814 -0.4155711 -0.44749245 0.97893853 -0.55931248 2.24016823 -0.31827453 4.09735464 4.72610587 1.64193106 4.43349907 5.82969842 3.39345633 -0.56295155 1.65405771 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00259286-01 196706840 tox21-ror-cho-viability-p1 set1 4 -0.71774946 2.24061487 1.05795742 -8.09823128 0.63830739 0.27341983 0.20121095 0.21544493 2.60824041 0 -6.97798957 -5.9200156 0.27733709 1.23884474 0.05321697 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-02-8 6998 144208935 A A Salicylaldehyde O=Cc1ccccc1O Tox21_201737 -NCGC00259696-01 196706842 tox21-ror-cho-viability-p1 set1 4 0.00603509 -10.5024450359 8 -2.5024450359 4.9549173134 0.5901737948 0.1046424372 8.61465865 6.74272063 1.81300995 -6.68164425 -2.85789778 0.75164479 -5.31718235 -4.11779777 1.89171065 0 0.23214376 2.27181239 -4.32113003 -3.10048146 -7.50203753 1.2849999999E-9 2.873E-9 6.425E-9 1.437E-8 3.213E-8 7.183E-8 1.606E-7 3.592E-7 8.031E-7 0.000001796 0.000004016 0.0000089789999999 0.000020079999999 0.000044899999999 0.0001004 7789-21-1 24603 144209345 Fluorosulfonic acid FS(=O)(=O)O Tox21_202147 -NCGC00257158-01 196707262 tox21-ror-cho-viability-p1 set1 4 4.2979336 1.49772294 0.50015524 1.48686553 0.209604 2.00902335 0.73064808 0.50706061 1.2529902 1.3199792 -6.22288477 1.56792534 3.80051434 2.01171628 3.70301057 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 326-61-4 9473 144213403 A A Piperonyl acetate CC(=O)OCc1ccc2OCOc2c1 Tox21_303086 -NCGC00018295-05 196705200 tox21-ror-cho-viability-p1 set1 4 0.57405079 0.42460576 6.62509097 0.33012182 0.32661309 -1.67671307 -0.36657333 0.64102288 4.75539102 4.33687364 -4.35422309 0.00761231 -0.13184522 -0.5241918 0.32811182 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 579-56-6 11368 170465968 A Isoxsuprine hydrochloride Cl.Oc1ccc(cc1)C(O)C(C)NC(C)COc2ccccc2 Tox21_110467_1 -NCGC00263967-02 196704789 tox21-ror-cho-viability-p1 set1 4 -0.90521485 -1.79681257 -0.55840461 0.01985602 -2.31116498 0.6498341 -0.22232892 0.86746672 2.54359464 -0.53708966 -2.17805241 5.23960979 -0.57610882 3.01001001 5.6715906 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 121268-17-5 23681107 170465098 F Alendronate [Na+].O.O.O.OC(CCCN)(P(O)([O-])=O)P(=O)(O)O Tox21_111553_1 -NCGC00179250-03 196704790 tox21-ror-cho-viability-p1 set1 -2.4 29.8492948118 -31.055766304 0.5 -30.555766304 2.3531167061 0.870476839 0.0011422015 -4.47803353 6.8960571 3.34465312 0.0799413 0.24994571 -0.54516433 0.2293408 -1.00201362 -0.45780228 2.04944447 0.32737256 0.29060441 -1.39451083 -8.45452084 -22.54647192 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 36167-63-2 37392 170465140 A Halofantrine Cl.CCCCN(CCCC)CCC(O)c2cc1c(Cl)cc(Cl)cc1c3cc(ccc23)C(F)(F)F Tox21_110637_1 -NCGC00015082-09 196705196 tox21-ror-cho-viability-p1 set1 4 8.4126743008 5.945907624 -3.945907624 2 3.1924983358 0.4698967405 0.2086790959 -4.51238867 -0.33011748 -3.57059314 -5.76850537 -6.08565299 -6.63293457 -0.21868917 -0.52288991 -4.09900327 -7.45492302 -4.23506991 -4.02888029 0.04329923 0.100418 3.06429675 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 996-19-0 2734952 170466652 F Pimagedine NC(=N)NN.O=S(=O)(O)O.N=C(N)NN Tox21_111552_1 -NCGC00024379-16 196705201 tox21-ror-cho-viability-p1 set1 -1.2 0.9439175816 -40.4065284551 0.1264728039 -40.2800556512 4.0949729863 0.9648349875 0.0000011909 6.04771399 0.09115496 -0.3814783 0.52716012 -2.80618444 0.01765874 -1.60847532 0.77020289 -2.61163407 -15.17127429 -38.95596335 -47.68755797 -41.74340269 -37.2623345 -32.31319951 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 483-18-1 10219 170465705 A Emetine COc4cc5CCN[C@H](C[C@H]1C[C@H]2c3cc(OC)c(OC)cc3CCN2C[C@@H]1CC)c5cc4OC Tox21_110901_1 -NCGC00253655-01 196705203 tox21-ror-cho-viability-p1 set1 4 0.60693478 4.57700073 0.364234 1.69881536 -1.33971494 3.8671226 1.21782267 1.77612151 0.67068262 0.90598896 4.24218832 0.96928682 0.23343477 -0.47192933 -0.11803575 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21440-97-1 30630 170466282 A A Brofoxine Brc1ccc2NC(=O)OC(C)(C)c2c1 Tox21_113781 -NCGC00249918-01 196705208 tox21-ror-cho-viability-p1 set1 4 -0.39867436 1.5894235 0.20837174 0.73950917 -1.94412411 -11.00066146 -0.79954927 -1.64088969 -1.11124653 6.87107882 0.43584788 -3.33748241 -1.86828199 0.19673878 -1.05005393 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2236-31-9 102232 170465876 F A Estriol tripropionate CCC(=O)Oc3cc4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2C[C@@H](OC(=O)CC)[C@@H]1OC(=O)CC)c4cc3 Tox21_113694 -NCGC00166290-03 196705216 tox21-ror-cho-viability-p1 set1 -2.2 23.7101376556 -41.5154158692 -0.5 -42.0154158692 3.0654483358 0.9413614373 0.0000200172 0.38857105 1.92359775 -0.87408454 2.32762873 2.14786419 -1.00421474 1.00721269 -7.08619482 -2.66911579 -2.54021013 2.5108209 -1.1065393 -0.80054675 -17.59921918 -37.13289081 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3055-99-0 656641 170466791 F Polyoxyethylene (9) lauryl ether CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO Tox21_112394_1 -NCGC00259840-01 196705612 tox21-ror-cho-viability-p1 set1 4 -0.18925864 10.57597792 -0.26404543 1.6558276 7.55049447 2.00258055 1.74586526 4.46892841 1.78192059 13.10802617 -1.57673662 3.17754805 0.94302124 3.50153407 0.59224401 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.552E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.000003662 0.00000819 0.00001831 0.00004095 0.00009156 100-00-5 7474 144209489 A A 1-Chloro-4-nitrobenzene O=[N+]([O-])c1ccc(Cl)cc1 Tox21_202291 -NCGC00257452-01 196726979 tox21-ror-cho-viability-p1 set3 4 3.36358777 2.56219707 0.37239502 2.6352516 0.40859267 3.57860053 -1.88660467 1.19533638 3.95575244 1.85293087 -0.6000794 2.27132679 0.05926544 2.91659952 1.7477378 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-17-1 61056 144213765 A A 2,6,8-Trimethyl-4-nonanol CC(C)CC(C)CC(O)CC(C)C Tox21_303455 -NCGC00257208-01 196726898 tox21-ror-cho-viability-p1 set3 -2.3 27.3060203028 -122.179096167 1.0018145094 -121.1772816576 0.9999999999 0.9749618834 0.5935968919 2.2782521 3.5470511 1.38062577 1.45884387 -2.47059966 4.00900518 0.02411348 -1.13858744 -2.75895022 -2.82041614 -24.74610723 -91.56380399 -40.14663629 48.80432669 -96.17244576 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3524-68-3 19042 144213569 D Pentaerythritol triacrylate O=C(C=C)OCC(COC(=O)C=C)(CO)COC(=O)C=C Tox21_303252 -NCGC00256976-01 196726899 tox21-ror-cho-viability-p1 set3 4 54.4826732819 13.5915142759 -1.5915142759 12 4.5044702849 0.6623541355 0.0576183389 -1.45330162 0.45789482 -0.22263624 -1.12539046 -3.17834727 -0.90080647 -1.56096824 1.4593271 -8.40959523 -0.035671 0 -3.40629889 -2.67123029 1.373198 10.73744544 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 137-32-6 8723 144213517 Ac 2-Methyl-1-butanol CC(CC)CO Tox21_303200 -NCGC00090721-03 196726900 tox21-ror-cho-viability-p1 set3 4 30.5755549657 -13.67928214 -0.5 -14.17928214 1.0999999999 0.7994744033 0.0081829212 -0.89550284 -0.3857055 -1.19078634 0.39076346 0.30365594 0.3335644 -0.09359525 -0.36875926 -3.48692062 -0.20332732 2.09798747 -6.08946842 -6.11440389 -6.41946764 -11.81606845 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.0000016459999999 0.00000368 0.000008228 0.000018399999999 0.000041139999999 0.000091989999999 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00183023-01 196726130 tox21-ror-cho-viability-p1 set3 4 -3.75788606 -4.76850307 -2.32579993 2.52767744 -5.87671409 -6.77043502 -7.4983703 3.45522194 -5.1538953 -4.1499534 2.53971178 -7.01012744 -0.85880923 -1.97957908 -14.41224052 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21721-92-6 71900 144206859 A A Nitrefazole [O-][N+](=O)c1ccc(cc1)n2cc(nc2C)[N+]([O-])=O Tox21_113308 -NCGC00016951-05 196726143 tox21-ror-cho-viability-p1 set3 4 1.5741181 -3.09886509 11.73359079 -2.53157474 -0.88761884 -0.77259439 -0.19755225 0.77906626 -6.45346604 -7.34156019 -1.58130772 -0.99869908 -4.33468016 -2.06414957 -4.20237704 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84370-95-6 6420010 170465853 A Clebopride maleate O=C(O)/C=C\C(=O)O.Clc1cc(c(OC)cc1N)C(=O)NC3CCN(Cc2ccccc2)CC3 Tox21_110706_1 -NCGC00257216-01 196726565 tox21-ror-cho-viability-p1 set3 4 0.0034376243 -10.0253115439 7 -3.0253115439 2.7202212143 0.6912436753 0.0428784932 6.14043452 4.2820631 -1.91546963 -1.10077398 -3.66967824 -1.70138945 -0.3390897 -6.68775962 -2.27011605 -5.01587356 -0.12039482 -5.09619275 -3.08258891 -2.95108214 -0.75672701 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-91-6 7729 144213376 F Fns 4-Nitrosophenol O=Nc1ccc(O)cc1 Tox21_303059 -NCGC00256563-01 196727385 tox21-ror-cho-viability-p1 set3 -2.2 17.2289340586 -53.246910692 7.730077148 -45.516833544 0.5 0.8262676994 0.0043419909 24.14514115 5.58293289 1.94160494 1.9772417 0.17306826 4.63688274 1.1318662 2.32273818 -1.68210855 -9.67674758 -1.53324154 -12.67665742 -18.37327118 -23.27858561 -33.15563033 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-15-3 7005 144213085 A A 1-Naphthol Oc2cccc1ccccc12 Tox21_302768 -NCGC00256986-01 196727386 tox21-ror-cho-viability-p1 set3 4 10.8707224818 -6.7922685719 -0.5 -7.2922685719 3.5117481694 0.5594643014 0.1453846385 -2.05562378 0 0 0 -2.79814022 0 0 0 0 0 0 0 -11.91022381 -3.45561014 2.59996937 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 770-35-4 92839 144213395 A Ac 1-Phenoxy-2-propanol CC(O)COc1ccccc1 Tox21_303078 -NCGC00256553-01 196727400 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -15.313648168 -0.5 -15.813648168 4.9549173134 0.7044781413 0.0365746374 -1.04651858 0.34885968 -0.03887429 -6.79368106 -1.04038755 -1.57337516 1.75914098 -0.82911484 2.46048829 -0.44508579 1.96064491 0.04241117 0.5661824 -1.06942234 -13.17804014 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-51-3 6540 144213208 A A Tris(2-butoxyethyl) phosphate CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC Tox21_302891 -NCGC00255477-01 196727796 tox21-ror-cho-viability-p1 set3 4 -6.58241814 1.22615825 4.41866957 3.27957801 4.50300435 1.3621594 3.8580536 4.93719687 0.08866418 5.06599134 -0.85441478 -0.09496587 -1.2552986 -0.99039172 -4.39825631 1.121E-9 2.506E-9 5.6039999999E-9 1.2529999999E-8 2.802E-8 6.265E-8 1.401E-7 3.133E-7 7.005E-7 0.000001566 0.0000035019999999 0.000007831 0.00001751 0.00003916 0.00008756 15165-79-4 23700091 144211663 A A Potassium 1-naphthaleneacetate [K+].[O-]C(=O)Cc2cccc1ccccc12 Tox21_301346 -NCGC00090704-03 196727802 tox21-ror-cho-viability-p1 set3 4 1.67495586 5.73877939 0.23913304 -0.54193382 5.33932033 5.8593121 2.3195851 2.53210292 2.01896691 1.02865188 2.80517554 3.63247215 2.56204569 0.18969046 2.73674935 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00254794-01 196714579 tox21-ror-cho-viability-p1 set2 4 27.3060203028 9.766561576 -0.766561576 9 1.98874246 0.8874946102 0.0005985669 -2.30546798 -0.32169503 -0.29737278 -1.51475799 -1.79438569 0.44908428 0.24416458 -0.58669348 0.34251617 -0.01702797 -2.02677941 1.49429182 1.53265922 6.70709305 7.98060741 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-75-7 1486 144211207 A A 2,4-Dichlorophenoxyacetic acid Clc1cc(Cl)ccc1OCC(=O)O Tox21_300890 -NCGC00254206-01 196714976 tox21-ror-cho-viability-p1 set2 4 30.6378586933 -11.2541733279 1 -10.2541733279 1.3987170999 0.8861497131 0.0006315373 1.20157653 2.02276035 2.94565461 -1.08249702 0.00796193 2.4387154 1.5174831 0.17792499 0.2058574 1.65680867 0.2115535 0.04430813 -3.50676315 -5.30691579 -8.54514444 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4418-26-2 23675081 144210395 A A Sodium dehydroacetate [Na+].C/C([O-])=C1/C(=O)C=C(C)OC1=O Tox21_300075 -NCGC00254697-01 196714564 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -10.92341126 1 -9.92341126 4.0949729863 0.7609845362 0.0170349575 0.1379766 1.24315074 2.2670689 0.86217432 -0.34565577 2.0627024 1.34289811 0.57620922 3.62914097 2.9117717 -0.637186 -0.43451377 0.2954152 0.03887994 -7.43617605 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13360-45-7 25912 144211110 A A Chlorbromuron Clc1cc(NC(=O)N(C)OC)ccc1Br Tox21_300793 -NCGC00091657-02 196714574 tox21-ror-cho-viability-p1 set2 4 3.4376242854 6.3682210479 -6.3682210479 0 2.7202212143 0.6583121307 0.0602996021 -4.44778533 -5.81940451 -7.86099793 -3.59600744 -6.7707369 -4.83914558 -9.47351754 -3.31259856 -9.04234319 -7.14094933 -2.68724135 0.19410973 -1.2896239 1.54588162 -1.6679405 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00254685-01 196714989 tox21-ror-cho-viability-p1 set2 -2.1 25.3105741622 -81.3667456427 0.6711263879 -80.6956192548 1.5385888099 0.9856148671 7E-9 1.01082982 0.93372887 -0.06269045 1.27680142 0.64431252 1.47046148 2.15569123 1.90467613 0.5248967 0.90429453 -1.01997323 -9.99514024 -11.99456847 -31.73397339 -61.13304489 6.229E-10 1.3929999999E-9 3.1139999999E-9 6.9639999999E-9 1.557E-8 3.482E-8 7.786E-8 1.741E-7 3.8929999999E-7 8.705E-7 0.000001947 0.000004353 0.000009733 0.00002176 0.000048659999999 14233-37-5 61719 144211098 A A 1,4-Bis(N-isopropylamino)anthraquinone CC(C)Nc3ccc(NC(C)C)c2c3C(=O)c1ccccc1C2=O Tox21_300781 -NCGC00257860-01 196715391 tox21-ror-cho-viability-p1 set2 4 -1.16893189 0.43023638 -3.17728562 -5.0541412 0.93744919 0.11558049 -0.96714155 -3.02362625 0.18444136 -1.62069026 -0.39012563 -0.55577296 -5.05628148 1.03800049 1.27211246 1.202E-9 2.688E-9 6.01E-9 1.344E-8 3.005E-8 6.719E-8 1.503E-7 3.36E-7 7.5129999999E-7 0.0000016799999999 0.0000037559999999 0.0000083989999999 0.00001878 0.000042 0.000093909999999 2404-44-6 16993 144207504 AC C 1,2-Epoxydecane CCCCCCCCC1CO1 Tox21_200306 -NCGC00258443-01 196715825 tox21-ror-cho-viability-p1 set2 4 -0.57094703 -1.9674162 2.38553629 -4.03087986 1.01192537 -2.94609781 2.61442314 -0.47851504 -5.11942018 0.01245251 2.52876815 -1.22603548 -3.44269451 1.17327278 1.43000252 1.211E-9 2.707E-9 6.053E-9 1.3539999999E-8 3.027E-8 6.768E-8 1.5129999999E-7 3.3839999999E-7 7.567E-7 0.0000016919999999 0.0000037829999999 0.00000846 0.00001892 0.0000423 0.00009459 97-64-3 7344 144208087 A A Ethyl lactate CC(O)C(=O)OCC Tox21_200889 -NCGC00258348-01 196715826 tox21-ror-cho-viability-p1 set2 4 3.75846028 1.97107035 -0.1238906 2.65437482 -0.52035823 2.07969202 -0.24422352 3.51442248 4.85878919 2.3290615 5.24888896 3.29839866 1.86684048 5.84670457 4.87498355 1.1989999999E-9 2.6809999999E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.701E-8 1.4979999999E-7 3.351E-7 7.492E-7 0.000001675 0.000003746 0.000008377 0.00001873 0.00004188 0.00009365 96-31-1 7293 144207992 A A N,N'-Dimethylurea CNC(=O)NC Tox21_200794 -NCGC00091499-05 196716229 tox21-ror-cho-viability-p1 set2 4 4.3277125691 -8.1323786159 3.5 -4.6323786159 1.6435888099 0.6660766187 0.0665337003 4.53589797 2.40066649 2.02752316 5.09172621 2.57858234 3.71967947 4.66757247 5.62398038 1.21404018 1.92508714 -0.16705803 0.06155687 -9.27698218 -1.39325585 -0.43201751 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00257619-01 196716640 tox21-ror-cho-viability-p1 set2 4 -5.20406734 -0.40719351 -3.15402679 -1.56090116 -5.72365971 -2.7292691 0.99398985 -0.09990187 -0.67735718 0.81984641 -0.75372197 -2.56418294 2.0331811 1.85774183 -4.36114059 1.2049999999E-9 2.694E-9 6.024E-9 1.347E-8 3.012E-8 6.7349999999E-8 1.506E-7 3.367E-7 7.5299999999E-7 0.0000016839999999 0.000003765 0.000008418 0.00001882 0.00004209 0.00009412 999-81-5 13836 144207263 A A Chlormequat chloride [Cl-].C[N+](C)(C)CCCl Tox21_200065 -NCGC00257633-01 196716644 tox21-ror-cho-viability-p1 set2 4 -2.41674914 -0.16679443 -3.41849805 -3.7536174 -0.1663882 -2.20437378 -0.99056905 -2.79606571 -2.4437406 -0.13500752 -1.72230232 -3.00357501 -1.8463107 -2.54759798 -2.48461402 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.61E-8 1.4779999999E-7 3.305E-7 7.3899999999E-7 0.0000016519999999 0.0000036949999999 0.000008262 0.000018469999999 0.00004131 0.00009237 354-58-5 9635 144207277 1,1,1-Trichloro-2,2,2-trifluoroethane ClC(Cl)(Cl)C(F)(F)F Tox21_200079 -NCGC00258599-01 196716646 tox21-ror-cho-viability-p1 set2 4 2.11019269 2.58535938 2.49480591 0.16158271 3.31520563 5.09109495 4.32607174 4.52695428 1.06741506 3.25400904 0.72092332 2.64369402 1.77545002 1.71153882 0.61941006 1.21E-9 2.706E-9 6.051E-9 1.353E-8 3.0249999999E-8 6.765E-8 1.5129999999E-7 3.382E-7 7.563E-7 0.000001691 0.000003782 0.0000084559999999 0.00001891 0.00004228 0.00009454 6262-42-6 80428 144208244 Tetrachlorocyclopropene ClC1=C(Cl)C1(Cl)Cl Tox21_201046 -NCGC00258742-01 196716648 tox21-ror-cho-viability-p1 set2 4 1.64112724 -3.70963592 -3.57851883 -4.09123701 -3.52182497 0.86149227 -0.98392541 0.87960611 1.15336664 1.30822541 0.08300015 -4.24866282 0.89634189 -1.98986221 0.69190499 1.177E-9 2.6319999999E-9 5.8849999999E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.0000036779999999 0.000008225 0.00001839 0.00004113 0.00009196 75-69-4 6389 144208388 Trichlorofluoromethane ClC(Cl)(Cl)F Tox21_201190 -NCGC00016000-13 196698639 tox21-ror-cho-viability-p1 set1 -1.1 0.1763269733 -64.9551956851 -1.775457911 -66.7306535961 4.9549173134 0.9501893153 0.0047881222 0.86570724 -1.98118335 -5.34031707 -1.25043021 -2.39727378 0.84453175 -22.82511922 -72.99489019 -65.41809074 -65.69335532 -58.83351396 -58.47302386 -58.00903097 -23.31704956 -86.88887187 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00164077-02 196698619 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -16.121691876 1 -15.121691876 4.9549173134 0.8145006221 0.0058939013 2.05021039 0.06462644 4.28461615 -0.67781825 1.89050175 0.53361633 1.02716218 0.06363859 -1.25348144 1.02563296 1.65610372 -1.04691043 -1.08284071 1.63515871 -12.18474323 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00253669-01 196698640 tox21-ror-cho-viability-p1 set1 4 0.81446331 1.2753954 1.95186878 0.37362568 1.93263682 -0.27935752 0.91267687 -0.49068302 2.86308288 0.98281616 1.31089602 4.15088745 1.99990507 4.35219098 3.93519317 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 29976-53-2 34767 170466703 F A Ethyl 4-oxo-1-piperidinecarboxylate O=C(OCC)N1CCC(=O)CC1 Tox21_113793 -NCGC00254402-01 196699045 tox21-ror-cho-viability-p1 set1 4 -0.57668978 -1.45699906 -0.55572899 -0.71759148 0.40360583 2.27189688 -0.25758885 2.70279321 0.94589326 3.370879 0.75489825 0.60698339 2.73039253 1.38704478 2.78743947 1.066E-9 2.385E-9 5.3319999999E-9 1.192E-8 2.666E-8 5.962E-8 1.3329999999E-7 2.9809999999E-7 6.665E-7 0.00000149 0.000003333 0.000007452 0.00001666 0.00003726 0.00008332 124378-77-4 60768 144210744 A A Enadoline O=C(Cc2cccc1occc12)N(C)[C@H]3CC[C@]5(C[C@@H]3N4CCCC4)CCCO5 Tox21_300426 -NCGC00254603-01 196699051 tox21-ror-cho-viability-p1 set1 -1.2 0.0968854161 -46.3825338719 3.8535826359 -42.528951236 0.3 0.9181062061 0.00011674 -0.12201447 -8.50334021 -11.93601463 -13.53523141 -19.28454132 -22.03634513 -16.89796661 -23.69066484 -27.00926893 -27.59160468 -27.93816718 -28.08745407 -32.72649963 -39.66780569 -40.02412603 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 83-79-4 6758 144211012 A B Rotenone C=C(C)[C@@H]2Oc3ccc1C(=O)[C@H]4c5cc(OC)c(OC)cc5OC[C@H]4Oc1c3C2 Tox21_300695 -NCGC00254620-01 196699054 tox21-ror-cho-viability-p1 set1 4 -10.1575945 1.53356277 -6.78384031 -11.02377258 -6.3711612 -2.2012166 -1.12359888 -6.9558633 -0.93463489 -0.96076622 0.07875049 2.44206193 -6.98594677 -0.81665286 -9.39169911 1.281E-9 2.863E-9 6.4029999999E-9 1.4319999999E-8 3.2009999999E-8 7.159E-8 1.6009999999E-7 3.579E-7 8.004E-7 0.00000179 0.000004002 0.000008948 0.00002001 0.00004474 0.000099999999999 140-95-4 8827 144211031 CC Dimethylolurea OCNC(=O)NCO Tox21_300714 -NCGC00255076-01 196699055 tox21-ror-cho-viability-p1 set1 4 1.56897451 1.81822359 -1.24027506 -1.53754937 -1.22532132 0.88131613 -2.22066694 -2.021787 -3.82942084 0.53703777 -2.28646422 -2.21190955 -1.63872895 -0.83515065 2.84413474 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-40-5 6808 144211495 A A 1,2,3,6-Tetrahydrophthalimide O=C1NC(=O)C2CC=CCC12 Tox21_301178 -NCGC00254198-01 196699056 tox21-ror-cho-viability-p1 set1 4 -3.89604021 -4.97203179 -1.28928788 -2.14674604 -2.81565957 -1.66578509 -6.34659139 -0.60770686 -1.24427256 -1.71551156 -1.8575621 -1.76189318 -17.69195009 0.34953388 6.02264038 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-87-6 7833 144210631 A I 4-Vinyl-1-cyclohexene dioxide O1CC1C2CC3OC3CC2 Tox21_300311 -NCGC00254252-01 196699450 tox21-ror-cho-viability-p1 set1 4 -5.45051582 -5.77576726 -4.6021543 -7.86481207 -6.27880645 -5.65173212 -1.64893604 -0.39697566 -5.99966554 -6.2874091 -5.79040327 -1.69676053 -3.3671848 -4.21698318 -3.47569083 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-35-3 31253 144210669 FNS Myrcene C/C(C)=C\CCC(=C)C=C Tox21_300351 -NCGC00344566-01 196698246 tox21-ror-cho-viability-p1 set1 -2.1 26.6032120037 -70.3530371588 3.5402294629 -66.8128076959 4.5044702849 0.9800150367 4.73E-8 -0.30740223 7.5103181 6.25343383 2.87866047 1.50673682 2.23162578 1.04659816 5.80762362 0.889148 2.13024721 3.49914581 7.68473766 2.29406553 -13.22972489 -61.51067308 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 170729-80-3 60196364 170464796 F Aprepitant C[C@@H](O[C@H]2OCCN(CC1=NC(=O)N=N1)[C@H]2C3CCC(F)CC3)c4cc(cc(c4)C(F)(F)F)C(F)(F)F Tox21_113595_1 -NCGC00016806-13 196697834 tox21-ror-cho-viability-p1 set1 -2.4 33.4914596268 -27.0933694119 -3 -30.0933694119 0.4 0.7204376165 0.0297095853 0.1120208 -0.45262901 -6.68369837 -5.0076188 -0.16557496 -10.75635224 -7.64602228 -5.22830002 -4.842612 -8.30897189 -8.62876241 -12.21218286 -11.41552126 -12.36859067 -21.74447451 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 31431-39-7 4030 170464914 A Mebendazole O=C(OC)Nc1nc2cc(ccc2n1)C(=O)c3ccccc3 Tox21_110620_1 -NCGC00095152-09 196697837 tox21-ror-cho-viability-p1 set1 4 14.9600854925 -12.3553862119 -1 -13.3553862119 2.1876167061 0.7151704179 0.0319841144 -0.13613568 -1.45260956 -1.97745381 -0.13339126 -2.33212936 -1.39449268 -0.84936765 -0.07326073 -7.50444073 1.83899276 2.38034867 -3.44460412 -4.58679488 -8.70016514 -13.62948851 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 81403-68-1 71764 170465022 A Alfuzosin hydrochloride Cl.O=C(NCCCN(C)c2nc1cc(OC)c(OC)cc1c(N)n2)C3CCCO3 Tox21_110701_1 -NCGC00257428-01 196708084 tox21-ror-cho-viability-p1 set1 4 61.130564862 -16.034487616 1.5 -14.534487616 4.9549173134 0.7206189926 0.0298133169 6.80952969 1.67299729 1.44719564 0.70506204 -0.3932901 1.01543736 5.76996446 4.07134872 -1.27904619 -0.83278732 -0.1432524 1.83537585 1.93510937 -0.34743899 -12.52873968 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1143-72-2 70837 144213688 A A 2,3,4-Trihydroxbenzophenone Oc2ccc(C(=O)c1ccccc1)c(O)c2O Tox21_303374 -NCGC00091278-03 196707682 tox21-ror-cho-viability-p1 set1 4 0.0997029 -0.51572999 2.08132371 -1.06042747 -0.80469266 0.8260584 4.46547682 0.24903583 0.00045234 1.98117438 1.79893296 0.05498404 2.03217855 3.98363051 -2.22265378 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00256686-01 196707686 tox21-ror-cho-viability-p1 set1 4 1.9331181962 -29.7189028041 -3.6340248319 -33.352927636 0.2 0.5544655534 0.1318966694 -13.1389944 -11.10984901 -0.11168736 -19.29749987 -10.15174127 -13.01057252 -14.92414043 -12.51326084 -18.01730796 -23.40647503 -22.49695622 -17.16521684 -19.62546647 -25.71077303 -22.6193225 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3209-13-0 76674 144212868 A B 3-Methoxy-5-methylphenol Oc1cc(C)cc(OC)c1 Tox21_302551 -NCGC00256629-01 196707689 tox21-ror-cho-viability-p1 set1 4 47.9164932974 -22.913443724 0 -22.913443724 1.331 0.909454508 0.0001975991 -0.48596117 -2.8054691 -0.61901564 1.26587017 0.04466774 2.01080974 0.94367167 -1.41990002 0.98783871 0.31200832 -1.63271211 -1.90240799 -6.69454931 -7.49870216 -17.42786977 1.167E-9 2.609E-9 5.8339999999E-9 1.304E-8 2.917E-8 6.522E-8 1.458E-7 3.261E-7 7.2919999999E-7 0.000001631 0.000003646 0.000008153 0.00001823 0.00004077 0.00009115 1244-76-4 71612 144212880 A A Hydroxyzine hydrochloride Cl.Clc1ccc(cc1)C(c2ccccc2)N3CCN(CC3)CCOCCO Tox21_302563 -NCGC00163919-02 196708090 tox21-ror-cho-viability-p1 set1 4 0.3135586261 -6.045808636 -0.5 -6.545808636 3.1319983358 0.447262824 0.2278538194 0.14928713 -4.37395001 4.5459994 -3.98361765 1.04328486 1.03754833 -1.7155458 -1.94452672 -12.95484053 -3.95725245 -6.2100867 -4.41289609 -10.83852092 -1.81961305 -6.33594362 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00090702-02 196708100 tox21-ror-cho-viability-p1 set1 4 -0.36426084 1.05679816 -0.00541542 1.47904757 2.21799017 2.43324537 6.32737436 1.1887349 0.67074876 -0.41032794 1.27106381 7.576911 7.7132995 0.96925786 -1.04357968 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00259150-01 196708502 tox21-ror-cho-viability-p1 set2 4 1.05151224 0.1098717 -1.72541482 -15.49471803 -0.04833069 -0.39837635 0.53901143 -1.22809817 1.44248608 -1.27084344 -0.38233279 -1.74800026 -2.39057648 0.37573888 1.50264581 1.197E-9 2.677E-9 5.986E-9 1.338E-8 2.993E-8 6.6919999999E-8 1.496E-7 3.346E-7 7.482E-7 0.000001673 0.000003741 0.000008366 0.00001871 0.00004183 0.00009353 2893-78-9 517121 144208799 Sodium dichloroisocyanurate [Na+].ClN1C(=O)[N-]C(=O)N(Cl)C1=O Tox21_201601 -NCGC00256327-01 196707694 tox21-ror-cho-viability-p1 set1 4 76.9588215421 12.2363967599 -0.2363967599 12 4.9549173134 0.5389893713 0.1467142111 0.72283954 -1.84456033 3.19830586 -0.20294265 0.57510536 0.16915096 -2.02059371 -3.9469973 -1.242376 -3.24386122 2.06747714 3.36887377 -2.24939393 -0.75211557 8.77429459 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-31-8 8795 144213239 F Ac 1-(2-Aminoethyl)piperazine NCCN1CCNCC1 Tox21_302922 -NCGC00258972-01 196706875 tox21-ror-cho-viability-p1 set1 -2.2 27.2782538257 -50.7054165095 2.904287466 -47.8011290435 1.3437170999 0.9512051384 0.0000073587 -0.4199074 6.64361683 3.56222459 5.24527422 5.78806655 1.55900458 3.33157151 0.69780356 -1.25120951 7.65394601 -3.13020472 -5.48638992 -16.78176416 -25.51049874 -44.26030467 1.179E-9 2.6359999999E-9 5.8929999999E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.294E-7 7.367E-7 0.0000016469999999 0.0000036829999999 0.000008236 0.00001842 0.000041179999999 0.00009208 1689-84-5 15531 144208619 A A Bromoxynil Brc1cc(cc(Br)c1O)C#N Tox21_201421 -NCGC00066947-05 196706882 tox21-ror-cho-viability-p1 set1 4 2.20886311 2.72172459 1.32103564 2.02753625 0.26148271 -3.84175731 1.02211638 1.21684234 -0.68672699 5.04171594 1.09088931 1.36203272 -0.26844249 4.14622017 0.08816445 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00257163-01 196707287 tox21-ror-cho-viability-p1 set1 4 0.2446014 2.2359867 1.62540348 5.48473484 4.46185696 4.97542675 -2.70609421 1.27805808 3.67606183 2.70924795 0.88987862 1.37674628 -0.27576724 4.05658698 2.68664292 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5809-23-4 79878 144213471 A A 2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid O=C(c1ccc(cc1O)N(CC)CC)c2ccccc2C(=O)O Tox21_303154 -NCGC00257510-01 196707708 tox21-ror-cho-viability-p1 set1 4 -5.5369489 1.15076202 0.35085682 0.73814385 -4.84798245 0.00765299 -3.75555394 3.38535346 0.38798342 3.0151317 0.33568169 3.63479618 2.255361 4.20094099 3.90208936 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5407-98-7 79414 144213831 A A Cyclobutyl phenyl ketone O=C(c1ccccc1)C2CCC2 Tox21_303524 -NCGC00255778-01 196728133 tox21-ror-cho-viability-p1 set3 4 0 0.05136022 -0.815602 5.39537414 6.15192636 5.65888591 -1.61006496 -1.88455244 1.04650626 8.24607817 7.6047242 -2.09913481 -0.65789602 1.89053743 1.298263 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 591-31-1 11569 144212453 A A 3-Methoxybenzaldehyde COc1cc(C=O)ccc1 Tox21_302136 -NCGC00257512-01 196727725 tox21-ror-cho-viability-p1 set3 4 5.4482673282 9.1654356239 -6.1654356239 3 4.9549173134 0.3757298087 0.2951386914 -0.84627036 -1.16611413 0.60284329 0.05413967 -8.69629582 -8.34909358 -7.71189907 -12.63786302 -9.69726328 -7.54568477 -12.28614753 12.52634029 -1.04025834 1.43018914 0.92377618 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-83-9 8345 144213855 A A Bis(2-butoxyethyl) phthalate O=C(OCCOCCCC)c1ccccc1C(=O)OCCOCCCC Tox21_303550 -NCGC00256813-01 196727732 tox21-ror-cho-viability-p1 set3 -2.2 43.2771256911 -52.2946909882 -1.106763591 -53.4014545792 1.8851180601 0.9464866058 0.0000121894 -1.26735211 -5.55743907 -1.38182887 -0.66274149 -7.70283178 0.43555898 0.95699831 0.22570383 -0.9330244 1.53404133 2.96047335 -6.1587476 -7.1463746 -26.6652271 -43.10716256 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3068-76-6 76476 144212788 F A N-[3-(Trimethoxysilyl)propyl]aniline CO[Si](OC)(OC)CCCNc1ccccc1 Tox21_302471 -NCGC00256938-01 196727738 tox21-ror-cho-viability-p1 set3 -3 27.3060203028 -34.1061114345 -0.5 -34.6061114345 4.9549173134 0.9441402164 0.0000358773 -0.86680032 -1.95148527 -1.51842196 0.6537486 1.28279808 -1.57384433 -2.21488567 1.31948433 0.83604186 2.70367329 0.41137678 -4.71597118 -2.58189376 -33.92756023 -2.7798706 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 1747-60-0 15630 144213500 A A 2-Amino-6-methoxybenzothiazole COc1ccc2nc(N)sc2c1 Tox21_303183 -NCGC00255607-01 196728134 tox21-ror-cho-viability-p1 set3 4 3.58033096 5.6708444 -3.90596713 4.13768407 9.95133041 5.42883102 4.01244269 1.78334554 -8.65255979 1.28208912 4.17952703 -1.89085481 4.90930851 7.33962937 -3.02062982 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65733-16-6 1711973 144211726 Cc F S-Methoprene CC(C)OC(=O)\C=C(/C)\C=C\C[C@@H](C)CCCC(C)(C)OC Tox21_301409 -NCGC00256099-01 196729054 tox21-ror-cho-viability-p1 set3 4 61.130564862 -9.680388464 1.5 -8.180388464 1.3987170999 0.3296065257 0.3430779609 -2.4711147 -2.64737136 3.0358537 -0.21354919 -0.30152076 -0.50603239 3.88954983 4.32958025 4.18614625 2.8560879 5.158609 0.56536801 -2.2768678 -0.57160372 -5.15032372 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66455-29-6 4292413 144211750 B B N-(Alkyl C10-C16)-N,N-dimethylglycine betaine C[N+](C)(CCCCCCCCCCCC)CC([O-])=O Tox21_301433 -NCGC00255882-01 196728234 tox21-ror-cho-viability-p1 set3 4 27.3060203028 -11.6098829399 1 -10.6098829399 4.9549173134 0.6849582661 0.0557150255 -1.1618881 -3.83272084 1.74738946 3.35819527 2.04279631 -0.16846257 2.36542912 2.10440559 1.91170972 2.797715 -0.14422344 3.07793601 0.13240918 -9.67490245 -0.15281382 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2882-19-1 97780 144211761 F F Ethyl bromophenylacetate O=C(OCC)C(Br)c1ccccc1 Tox21_301444 -NCGC00256148-01 196728650 tox21-ror-cho-viability-p1 set3 4 0.24760492 -3.9677943 5.37809125 1.58969936 -1.40820998 1.22688905 3.87973632 0.67017584 6.47942674 2.47159748 4.24377061 0 0.19801231 2.33584476 4.00981982 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3658-48-8 6327514 144211999 F A Bis(2-ethylhexyl) phosphonate CCCCC(COP(=O)OCC(CC)CCCC)CC Tox21_301682 -NCGC00255637-01 196729044 tox21-ror-cho-viability-p1 set3 4 1.95487876 -6.98962884 -5.19651867 6.70413166 2.46127904 4.7986399 9.94541993 -9.64367803 8.87559385 8.38714531 -8.59379128 7.6792759 10.37760456 9.37281161 4.72220382 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-98-2 7034 144212447 A A 4,4'-Dichlorobenzophenone O=C(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_302130 -NCGC00256181-01 196729056 tox21-ror-cho-viability-p1 set3 4 9.6885416101 -6.5790171079 2 -4.5790171079 2.2526478767 0.4710577618 0.2064689123 -1.6545319 4.77629377 -1.71226403 4.16061633 8.44575859 -0.53968028 2.46199735 2.61048113 1.7236829 2.77760937 -0.96136179 1.32317399 -5.06584759 -4.30935884 -3.48934559 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 947-19-3 70355 144211779 A A (1-Hydroxycyclohexyl)(phenyl)methanone O=C(c1ccccc1)C2(O)CCCCC2 Tox21_301462 -NCGC00256139-01 196729062 tox21-ror-cho-viability-p1 set3 4 4.05741344 3.09457691 -0.66098124 -2.5625678 -2.30569355 3.41329174 4.45424044 1.89506164 1.59981363 2.37079359 6.84316975 -3.15679785 -0.09524121 2.25807309 4.47986822 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 488-10-8 1549018 144212142 A Fc Jasmone CC=1CCC(=O)C=1C\C=C/CC Tox21_301825 -NCGC00255984-01 196729066 tox21-ror-cho-viability-p1 set3 4 38.5707788719 -19.031195556 6.5 -12.531195556 0.4 0.3237373071 0.3450291525 1.39398381 12.92094928 7.68839501 0.92457372 11.21672411 -5.02957383 9.73810383 4.50494823 2.61855799 5.19963075 -4.86071939 -1.09062526 6.99891407 -7.10932963 -5.7640061 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2275-14-1 16773 144212058 F Fns Phenkapton Clc1ccc(Cl)cc1SCSP(=S)(OCC)OCC Tox21_301741 -NCGC00182548-02 196717892 tox21-ror-cho-viability-p1 set2 4 1.88647468 0.67373127 2.62512307 -0.38866978 -0.99702398 -0.00439403 2.37938562 -1.33189507 1.50084489 -1.33069525 0.06426667 -0.81516649 -0.88089892 2.18401079 2.01554334 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63516-07-4 60196342 170465904 I Flutropium bromide [Br-].[Br-].C[N+]2(CCF)[C@H]1C[C@@H](C[C@@H]2CC1)OC(=O)C(O)(c3ccccc3)c4ccccc4 Tox21_113011_1 -NCGC00163919-02 196717077 tox21-ror-cho-viability-p1 set2 4 -1.11528287 -4.30122487 -0.9252299 -2.36089447 -0.06223097 -0.29290524 -0.70706966 -1.91621613 1.31433266 0.04618619 2.7373861 1.54753277 0.46943873 1.69758263 0.43069976 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00015898-15 196717488 tox21-ror-cho-viability-p1 set2 4 0.3757803576 3.477664292 -2.477664292 1 3.9899729863 0.4562799652 0.2236284556 -0.47724284 -3.48430391 -1.17645317 -6.23138691 -0.80544191 -2.30603911 -1.48752061 -2.82703259 -1.53770983 4.80523698 -1.21888033 0.32339633 1.02244976 0.60997637 0.7365397 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61413-54-5 5092 170465962 A Rolipram COc2ccc(cc2OC1CCCC1)C3CC(=O)NC3 Tox21_110672_1 -NCGC00165987-03 196717492 tox21-ror-cho-viability-p1 set2 4 2.80050713 -0.18724196 3.10494923 2.86697839 4.96557033 2.96020091 6.70775763 1.89112214 4.67115531 6.29679028 1.51899005 3.67181302 3.07119215 2.06241783 1.86892986 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122-97-4 31234 170466871 F 3-Phenyl-1-propanol OCCCc1ccccc1 Tox21_113458_1 -NCGC00094721-07 196717088 tox21-ror-cho-viability-p1 set2 4 2.73656586 0.9085472 -0.17949966 0.70602775 0.58051526 0.3748373 -1.05399293 0.92823458 0.83781176 -0.21373349 1.73233248 3.333229 -0.56424795 0.06051639 -1.06668258 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60-56-0 1349907 170464856 A Methimazole S=C1NC=CN1C Tox21_110341_1 -NCGC00257643-01 196716667 tox21-ror-cho-viability-p1 set2 4 -0.30048707 -0.61582907 -5.34002422 -7.66619036 0.62528728 0.10017552 -4.07968609 0.16623696 -0.00608161 -7.3031312 -0.62479939 -8.42733895 0.59251204 4.42816575 0.11932299 1.1919999999E-9 2.6649999999E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004163 0.000093099999999 589-18-4 11505 144207287 A A 4-Methylbenzyl alcohol Cc1ccc(CO)cc1 Tox21_200089 -NCGC00257667-01 196716668 tox21-ror-cho-viability-p1 set2 4 1.65220952 1.8635716 2.82234799 0.46171022 -5.99951229 4.6351771 -0.07668203 1.30694351 -0.44977784 -1.2340453 0.14566228 1.21190038 -0.24326275 1.30129406 2.73619768 1.21E-9 2.7049999999E-9 6.0499999999E-9 1.353E-8 3.0249999999E-8 6.764E-8 1.512E-7 3.382E-7 7.562E-7 0.000001691 0.000003781 0.000008455 0.00001891 0.00004227 0.000094529999999 542-10-9 222536 144207311 A A 1,1-Ethanediol diacetate CC(=O)OC(C)OC(=O)C Tox21_200113 -NCGC00163906-02 196717087 tox21-ror-cho-viability-p1 set2 4 0.21205571 4.67344208 -0.23057054 -2.23040256 1.70765903 3.01501569 3.52821384 0.5100193 0.75005597 1.85630643 1.07091001 -0.20111728 4.77757388 0.10345133 -2.1606857 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00090691-03 196717101 tox21-ror-cho-viability-p1 set2 4 -0.66547108 -1.94861147 -4.44972856 -0.53219202 -2.36088042 -1.86921464 -0.77682826 -0.81431327 1.35845562 -0.27406739 -1.12403921 -1.05377942 -4.95473779 -0.22351088 2.84669121 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69655-05-6 50599 170464863 A 2',3'-Dideoxyinosine O=C3NC=Nc2c3ncn2[C@H]1CC[C@@H](CO)O1 Tox21_111732_1 -NCGC00179685-03 196717496 tox21-ror-cho-viability-p1 set2 4 1.12466837 0.90964056 3.28136659 1.29600799 -4.71652284 1.4464138 -5.46960658 -0.06174912 1.24957605 0.53468182 2.49141468 2.20379991 0.95590892 0.50163551 2.9639021 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 338-98-7 224246 170465628 A Isoflupredone acetate CC(=O)OCC(=O)[C@@]4(O)CC[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_110437_1 -NCGC00247678-01 196717501 tox21-ror-cho-viability-p1 set2 4 11.0838009413 -16.841901628 6 -10.841901628 0.5 0.7562977378 0.0177896084 5.52457655 5.06526611 5.14437429 5.23135492 5.87226507 1.12304734 8.3483329 6.48173949 -0.8086089 -0.50932674 -1.05035896 -2.27207304 0.70359576 -8.20158469 -6.64257775 1.32E-9 2.952E-9 6.601E-9 1.476E-8 3.3E-8 7.38E-8 1.65E-7 3.69E-7 8.2509999999E-7 0.000001845 0.0000041249999999 0.0000092249999999 0.000020629999999 0.000046119999999 0.00010309999999 53757-34-9 3041255 144206380 A A (-)-alpha-Methadol hydrochloride Cl.O[C@@H](CC)C(C[C@H](C)N(C)C)(c1ccccc1)c2ccccc2 Tox21_112827 -NCGC00091284-03 196717926 tox21-ror-cho-viability-p1 set2 4 0.10767744 2.87854108 0.34070877 0.82481455 4.11640209 3.74251272 4.79049404 -0.94198426 2.85069814 0.04826704 3.80183008 -0.43508707 -1.05591734 -0.20259795 0.91753189 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00257371-01 196718744 tox21-ror-cho-viability-p1 set2 4 38.5707788719 14.1469672161 0.8530327839 15 0.7999999999 0.5562105335 0.1482826386 -1.37247268 1.3343753 4.25623759 1.12046289 -1.1184718 1.86701959 4.34830637 1.68873716 0.62448786 0.45310397 1.77867407 5.32390535 2.66158947 11.11367194 1.07731537 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51-24-1 5803 144213850 A Tiratricol O=C(O)Cc2cc(I)c(Oc1cc(I)c(O)cc1)c(I)c2 Tox21_303544 -NCGC00254815-01 196699489 tox21-ror-cho-viability-p1 set1 4 -2.58888454 -1.97380678 -0.21991568 -0.49317852 -2.24967626 2.0628535 -1.92917898 1.31983244 -0.96839767 -1.24126131 1.77991135 -0.50272765 1.04949279 1.02602537 1.65712932 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110488-70-5 86298 144211228 I I Dimethomorph O=C(C=C(c1ccc(Cl)cc1)c2ccc(OC)c(OC)c2)N3CCOCC3 Tox21_300911 -NCGC00257547-01 196700296 tox21-ror-cho-viability-p1 set1 4 7.6958821542 -18.7760064959 1 -17.7760064959 0.7999999999 0.8098458311 0.0064480993 0.25808358 -1.64848884 1.3357326 -1.39019166 0.5801135 4.51578654 5.23014846 -1.7398952 -0.51133605 -4.92708028 -6.25394442 -8.85117948 -13.43845699 -7.52912746 -19.39667208 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7152-80-9 23540 144212508 A A 4-(Dimethylamino)phenylthiocyanate N#CSc1ccc(cc1)N(C)C Tox21_302191 -NCGC00254861-01 196699892 tox21-ror-cho-viability-p1 set1 4 29.8492948118 8.455325276 -0.955325276 7.5 4.9549173134 0.3992727349 0.2761874703 -5.87130827 -1.38045497 1.42018254 0.33085023 1.0159104 0.10365161 -0.50493473 -0.86554931 0.3818974 0.1073563 -0.6857322 0.96646322 -6.62943773 0.57131258 6.3956869 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 116714-46-6 93541 144211276 A A Novaluron Clc1cc(ccc1OC(F)(F)C(F)OC(F)(F)F)NC(=O)NC(=O)c2c(F)cccc2F Tox21_300959 -NCGC00254475-01 196699490 tox21-ror-cho-viability-p1 set1 4 1.21447084 0.56516355 0.74758089 -0.81232636 -1.58624093 0.08853074 -0.29445427 -1.09743645 1.60388867 1.93269175 1.07908147 0.02159735 1.4805324 4.19475895 3.47551342 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 35256-85-0 92299 144210794 A A Butam CC(C)(C)C(=O)N(Cc1ccccc1)C(C)C Tox21_300476 -NCGC00254306-01 196699494 tox21-ror-cho-viability-p1 set1 4 -1.04049466 1.38638905 0.96164986 0.14894076 1.24058114 -5.88110624 1.7564704 -4.75264651 0.00640688 0.77816101 1.69778225 0.99207666 -9.31363979 0.65095943 -0.31189765 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 544-76-3 11006 144210803 FNS Hexadecane CCCCCCCCCCCCCCCC Tox21_300485 -NCGC00164077-02 196699898 tox21-ror-cho-viability-p1 set1 4 6.8589621897 4.541885528 -2.041885528 2.5 4.9549173134 0.3970242399 0.2962943487 -0.24837673 -0.45944974 -1.21539013 -4.13276899 -3.74725064 -4.51199518 -0.40109487 0.81585917 -4.61823794 -0.87484263 -1.61519508 0.86602425 5.60667887 -0.53850217 -0.54761697 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00090986-03 196699902 tox21-ror-cho-viability-p1 set1 -2.2 54.8152787309 -46.0599171596 -2.5 -48.5599171596 1.826479391 0.9067838305 0.0002265302 -0.99763946 0.75958414 -0.47424872 -8.21380488 -0.86410779 -5.78909603 -0.4399047 -6.19200861 -0.30808417 0.87583899 -3.83357869 -8.13396502 -6.7533356 -17.53415176 -36.78781603 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00253983-01 196699903 tox21-ror-cho-viability-p1 set1 -2.4 31.5436220894 -27.376358816 -0.5 -27.876358816 2.3331733767 0.8237626202 0.004634724 0.15614635 2.37426913 1.54675559 -7.79458105 1.92696908 0.73438674 -0.24413762 -1.52226757 1.76450108 -0.30511928 -0.31433331 -8.56707074 -1.54334321 -23.06016242 -23.64696568 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.00001889 0.00004225 0.00009447 95-65-8 7249 144210505 A A 3,4-Dimethylphenol Cc1cc(O)ccc1C Tox21_300185 -NCGC00094521-05 196699904 tox21-ror-cho-viability-p1 set1 4 38.5707788719 -15.036128992 0 -15.036128992 1.331 0.6580503512 0.0598703675 0.2611403 2.18123016 -1.01214996 1.86642625 2.04406934 -1.18957333 -1.48358134 2.09933767 0.04055082 2.24522943 -8.20704412 -0.11096461 -1.5125549 -9.19951325 -11.69677416 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00254537-01 196699908 tox21-ror-cho-viability-p1 set1 4 -5.64894794 -2.93439074 -2.32451976 -0.41446197 -0.26801407 -1.12451996 0.5809987 -3.13018553 1.12840769 -2.47445658 -0.45135412 0.10720892 0.57656443 1.15756746 -1.23493007 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 0.0000010299999999 0.000002304 0.000005152 0.00001152 0.00002576 0.0000576 13292-46-1 5458213 144210868 A B Rifampicin CN1CCN(CC1)/N=C/c3c2NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)C=CO[C@@]5(C)Oc4c(C)c(O)c(c2O)c(c3O)c4C5=O Tox21_300550 -NCGC00090827-04 196700320 tox21-ror-cho-viability-p1 set1 4 -6.36206351 -3.79778214 -2.04630402 -4.33031119 -2.16114687 1.51679219 -2.39095382 3.34817989 -0.1459973 0.38648561 -0.08030695 2.18202741 3.63277763 0.55787024 0.50216014 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00255833-01 196700328 tox21-ror-cho-viability-p1 set1 4 4.09143494 0.4296588 5.42945276 3.08655787 3.33055729 5.87453439 2.84385009 -0.58226795 4.56510108 6.95283964 2.66199077 -0.01850672 2.27044415 -0.80641734 -0.08861523 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55107-14-7 99597 144211681 A Ac Methyl 4,4,4-trimethylacetoacetate CC(C)(C)C(=O)CC(=O)OC Tox21_301364 -NCGC00016000-13 196709775 tox21-ror-cho-viability-p1 set2 -2.1 62.5631710251 -85.5068597758 -7.506394965 -93.0132547408 2.7202212143 0.7704015133 0.013928673 -33.41271638 -21.99783447 -5.21826264 -9.13193825 3.08421121 -4.41321788 -4.89819087 -0.82423862 -5.75041972 -11.63101988 -9.7339727 0.89654537 -11.85398168 -28.6943206 -71.97973844 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00255509-01 196709780 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -10.176461256 -1 -11.176461256 4.9549173134 0.4903367504 0.1907141268 -4.20857208 -0.11133078 1.24529388 -1.8764024 1.71486301 -1.23364465 -4.09052008 -3.73015415 1.7332591 0.39124438 0.02740752 -1.64804548 -1.70582898 -0.0656543 -8.48038438 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-91-7 5359281 144212267 A A N,N'-Disalicylidene-1,2-diaminopropane Oc2ccccc2/C=N/C(C)C/N=C/c1ccccc1O Tox21_301950 -NCGC00255201-01 196709786 tox21-ror-cho-viability-p1 set2 4 -5.82518622 -2.42550892 -0.19114372 0.1058584 0.14035834 -0.00831169 -3.85036836 -3.5624959 0.91079444 0.20279137 0.72430856 -1.71699598 -0.24014205 0.00324192 0.35945426 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13647-35-3 656583 144212723 A A Trilostane N#CC=2C[C@]4(C)[C@H]5CC[C@]1(C)[C@@H](O)CC[C@H]1[C@@H]5CC[C@@]34O[C@@H]3C=2O Tox21_302406 -NCGC00256124-01 196709794 tox21-ror-cho-viability-p1 set2 4 0.0017228934 9.804548612 -8.804548612 1 2.9522712143 0.6619252789 0.0592987681 -6.50379051 -1.28759288 0.64667125 -0.23973316 0.99401745 2.27461583 -0.46921179 0.75833158 0.36586244 0.90529192 0.12865421 0.38439809 0.66808924 0.34649846 5.56568929 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 831-59-4 71577 144211823 A Disodium benzene-1,3-disulfonate [Na+].[Na+].O=S([O-])(=O)c1cccc(c1)S([O-])(=O)=O Tox21_301506 -NCGC00090952-07 196709796 tox21-ror-cho-viability-p1 set2 4 6.56541832 1.99088577 4.8380203 3.11733224 2.43244076 -0.21352321 2.44997188 -1.70675968 -0.65369061 -0.78125927 2.99108397 0.39649275 0.44618598 4.34012133 0.06645231 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00256037-01 196709797 tox21-ror-cho-viability-p1 set2 4 -10.27629985 -6.00773918 -8.96466857 -4.96587638 -6.69796022 -8.4580931 -3.41191266 -3.82901486 0.42967108 -6.56647573 -3.27966576 -7.09465916 -4.90848797 -2.42523737 -4.99317756 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 136-30-1 546717 144212114 Ac Sodium dibutylcarbamodithioate [Na+].[S-]C(=S)N(CCCC)CCCC Tox21_301797 -NCGC00255230-01 196710191 tox21-ror-cho-viability-p1 set2 -2.4 68.5896218971 -26.919691336 1.5 -25.419691336 4.9549173134 0.9112650645 0.0001775655 -2.51589143 1.34247883 -1.51187931 3.51371395 2.56132187 3.43426858 1.44486765 2.78877077 3.11425391 1.75530171 -0.10473819 0.45273008 2.26081942 -0.10942484 -20.34974278 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15233-47-3 85821 144211806 A A N-(1-Methylheptyl)-N'-phenyl-1,4-benzenediamine CC(CCCCCC)Nc1ccc(cc1)Nc2ccccc2 Tox21_301489 -NCGC00357075-01 196711466 tox21-ror-cho-viability-p1 set2 4 -3.56681163 -7.40956674 -6.9500895 -6.08007513 -27.78547679 0 -14.48077538 -11.02622975 0 -29.34210079 -11.0939462 0 0 -15.91422042 -18.25138338 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-25-4 7492 251919650 A 1,4-Dinitrobenzene O=[N+]([O-])c1ccc(cc1)[N+]([O-])=O Tox21_303785 -NCGC00163818-04 196711070 tox21-ror-cho-viability-p1 set2 -2.4 8.2073550576 -27.1931078119 1.5 -25.6931078119 0.8999999999 0.9679954994 7.029E-7 0.55208582 1.76445586 2.43428599 1.45828885 -0.30130133 -0.16596341 2.71795221 1.71920727 -0.35961115 -2.5155835 -11.14254554 -12.83751308 -14.94333637 -19.64258169 -24.74425651 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00260155-01 196711463 tox21-ror-cho-viability-p1 set2 4 -3.15713826 -6.03465048 -4.99495078 -10.51828726 -13.90453139 -12.57886006 -9.60949416 -4.3982063 -24.41864055 -7.89634267 -11.60223373 -0.52571669 0 -11.88967292 0.39724737 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.962E-8 6.622E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 3132-64-7 18430 144209805 F Epibromohydrin BrCC1CO1 Tox21_202607 -NCGC00260038-01 196711465 tox21-ror-cho-viability-p1 set2 4 0.0974768815 -15.030301384 1.5 -13.530301384 0.6999999999 0.5425756645 0.1415056082 -1.04408715 -1.00149017 1.43516436 1.57631196 2.45622502 -16.69898655 -0.13771163 -15.4252625 -8.26577522 -7.36934821 -11.31026241 -17.67034698 -10.8857862 -9.66645731 -19.19191782 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 12083-48-6 82917 144209687 Fns Bis(cyclopentadienyl)vanadium chloride Cl[V](Cl)(C1C=CC=C1)C2C=CC=C2 Tox21_202489 -NCGC00160537-04 196730373 tox21-ror-cho-viability-p1 set3 4 -26.09435201 -7.49448662 0 0 0 -3.99444268 0 -2.8488764 -1.54520981 0 0 -23.45067239 -7.73323982 -8.26063487 -5.19594783 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00258056-01 196729556 tox21-ror-cho-viability-p1 set3 4 -2.5296444 -1.70449858 -0.37801689 -3.69585999 -0.09398369 -2.35679042 -6.71181071 -0.14970683 0.10766216 -0.02353809 -0.03720991 -0.05435357 -2.42190211 1.354192 -0.46459148 1.2069999999E-9 2.6979999999E-9 6.034E-9 1.349E-8 3.017E-8 6.746E-8 1.5079999999E-7 3.373E-7 7.5419999999E-7 0.0000016859999999 0.0000037709999999 0.000008432 0.00001886 0.000042159999999 0.00009428 55-22-1 5922 144207700 A A Isonicotinic acid O=C(O)c1ccncc1 Tox21_200502 -NCGC00258758-01 196729966 tox21-ror-cho-viability-p1 set3 4 2.81936913 4.11595622 2.35862739 1.84917758 2.64944961 2.34150579 1.91536884 0.13386485 -0.29602027 -0.87879932 1.39930455 1.04712846 2.55767526 0.64080883 0.13951039 1.157E-9 2.587E-9 5.786E-9 1.2939999999E-8 2.8929999999E-8 6.4689999999E-8 1.446E-7 3.234E-7 7.2319999999E-7 0.000001617 0.0000036159999999 0.000008086 0.000018079999999 0.00004043 0.0000904 17369-59-4 6259976 144208404 A B 3-Propylidenephthalide CC\C=C1\OC(=O)c2ccccc12 Tox21_201206 -NCGC00257648-01 196729976 tox21-ror-cho-viability-p1 set3 4 0.00204989 5.25641742 5.78212145 0.875049 0.05318507 7.47433112 4.85742072 6.08237642 5.77713964 8.50386211 6.62701551 4.36382943 7.76719777 5.17017549 8.94666322 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.346E-8 3.009E-8 6.728E-8 1.504E-7 3.3639999999E-7 7.522E-7 0.000001682 0.000003761 0.0000084099999999 0.0000188 0.000042049999999 0.00009402 115-19-5 8258 144207292 A A 2-Methyl-3-butyn-2-ol C#CC(C)(C)O Tox21_200094 -NCGC00258629-01 196730376 tox21-ror-cho-viability-p1 set3 -2.1 57.8507107855 -77.4654336898 -1.211966106 -78.6773997958 4.9549173134 0.9900524026 8E-10 -0.85355542 0.22338647 -1.33693488 -1.41834053 -2.01551892 -4.17881507 -1.4376035 -4.61845601 -2.35362103 -0.60249357 2.13759773 1.10579027 -0.06524514 -12.24637532 -69.98206333 1.127E-9 2.52E-9 5.636E-9 1.26E-8 2.8179999999E-8 6.3009999999E-8 1.409E-7 3.15E-7 7.044E-7 0.000001575 0.0000035219999999 0.000007876 0.00001761 0.00003938 0.00008806 472-86-6 6436079 144208274 Bc Cc 13-cis-Retinal CC=1CCCC(C)(C)C=1/C=CC(\C)=C\C=CC(/C)=C\C=O Tox21_201076 -NCGC00257865-01 196730382 tox21-ror-cho-viability-p1 set3 4 0.95805181 1.48675619 -2.07234765 -3.22105863 -10.94904304 -6.82590097 0 0 -2.24283554 0 -14.84034393 -14.49519453 -5.93521837 0.20388237 0.23764256 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.4829999999E-7 3.317E-7 7.417E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.00004146 0.000092709999999 3179-47-3 18510 144207509 B B Decyl methacrylate C=C(C)C(=O)OCCCCCCCCCC Tox21_200311 -NCGC00258335-01 196730387 tox21-ror-cho-viability-p1 set3 4 1.7632697334 -4.547246412 2.5 -2.047246412 4.9549173134 0.3516623355 0.3365072929 0.17223212 2.49339206 1.76142561 -0.36852221 0.15135649 7.44061381 8.38000605 1.0131664 1.21766681 0.88777099 -6.28937201 0.83311735 -3.12654551 -0.394907 0.5429561 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.346E-8 3.009E-8 6.728E-8 1.504E-7 3.3639999999E-7 7.522E-7 0.000001682 0.000003761 0.0000084099999999 0.0000188 0.000042049999999 0.00009402 29911-28-2 24752 144207979 A A 1-(2-Butoxy-1-methylethoxy)propan-2-ol OC(C)COC(C)COCCCC Tox21_200781 -NCGC00090942-03 196730393 tox21-ror-cho-viability-p1 set3 -2.1 48.5577336745 -93.1999249895 1.7340103319 -91.4659146576 3.0654483358 0.9879410714 2.5E-9 0.82892598 0.05547076 -0.17070539 0.52713649 0.71135112 -0.00432016 3.55185421 3.54695571 4.276628 -0.33785438 0.91492891 0.5649393 2.96578789 -37.47003638 -78.38326868 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00178638-02 196704268 tox21-ror-cho-viability-p1 set1 4 23.7101376556 7.964441312 -1.464441312 6.5 4.4494702849 0.4169511792 0.2587599748 -0.19604944 -4.44006743 -3.4111444 1.11158526 -4.97036776 0.41439147 -2.89089686 0.63937834 0.60524841 -2.78394509 -2.5700196 3.61488833 -3.53406331 1.41244683 6.10380956 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 124832-27-5 60772 170465373 D Valaciclovir Cl.CC(C)[C@H](N)C(=O)OCCOCn2cnc1c2N=C(N)NC1=O Tox21_111738_1 -NCGC00260091-01 196703448 tox21-ror-cho-viability-p1 set1 4 0.0191543877 -10.686196688 -1.554267396 -12.240464084 1.21 0.6104933592 0.0898652088 -1.67666716 -5.71361648 -0.04522283 -4.15517663 -10.19626462 -14.18519946 -5.3516548 -7.85242016 -17.28372007 -13.02501847 -14.07819808 -13.08071263 -9.43827249 -10.93198695 -14.61295093 1.171E-9 2.617E-9 5.8529999999E-9 1.3089999999E-8 2.926E-8 6.543E-8 1.463E-7 3.2719999999E-7 7.316E-7 0.0000016359999999 0.000003658 0.0000081789999999 0.00001829 0.0000409 0.00009145 1271-19-8 5284468 144209740 Fns Titanocene dichloride [Cl-].[Cl-].C=2CC([Ti+2]C1=CC=CC1)=CC=2 Tox21_202542 -NCGC00260211-01 196703449 tox21-ror-cho-viability-p1 set1 4 2.03174258 1.22929205 1.47609085 5.25181453 4.19111071 0.04977493 5.22470514 -0.01519381 3.43150718 0.11284137 -0.02678738 1.62066842 5.01595946 1.2629912 1.23029773 1.19E-9 2.661E-9 5.95E-9 1.331E-8 2.975E-8 6.653E-8 1.4879999999E-7 3.326E-7 7.438E-7 0.000001663 0.000003719 0.000008316 0.00001859 0.00004158 0.00009297 886439-34-5 60196382 144209861 FNS 1-Butyl-1-methylpiperidinium tetrafluoroborate F[B-](F)(F)F.C[N+]1(CCCC)CCCCC1 Tox21_202663 -NCGC00260640-01 196703850 tox21-ror-cho-viability-p1 set1 4 -4.6304794 0.34339798 -10.75854128 -0.58885317 0.03496625 0.95378418 -4.93925656 -6.42631592 3.84996403 -5.44237237 1.29492947 -0.67799957 -5.96757048 0.6455181 5.85472236 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49536 144210293 M M NTP Mix116 ER1 10-EQC Tox21_203095 -NCGC00164535-02 196704282 tox21-ror-cho-viability-p1 set1 4 -0.90615856 1.07675713 -0.31013119 -0.06636311 1.19736482 1.07409723 0.75978537 0.36852554 1.20707351 0.89138625 -0.35745679 1.5934531 0.33116644 0.40027526 3.05323191 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1707-14-8 92159 170465166 Z Phenmetrazine hydrochloride Cl.CC2NCCOC2c1ccccc1 Tox21_112166_1 -NCGC00259933-01 196706468 tox21-ror-cho-viability-p1 set1 4 -0.39266453 10.01433799 0.86796216 0.92385031 -0.09810003 0.1997143 2.61948166 0.61478445 3.39885013 0 2.77823595 0.58475004 0.74913035 3.7903613 4.16237387 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.476E-7 3.3009999999E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008253 0.00001846 0.00004127 0.000092279999999 118-52-5 8360 144209582 F 1,3-Dichloro-5,5-dimethylhydantoin O=C1N(Cl)C(=O)N(Cl)C1(C)C Tox21_202384 -NCGC00259798-01 196705623 tox21-ror-cho-viability-p1 set1 4 -3.00318342 2.71183795 -3.81301715 -3.69996715 -9.27431721 0.50868951 -6.64937624 2.75713248 1.72256426 -12.34873688 2.57827624 1.50974218 -2.06013726 6.12060651 0.57861239 1.202E-9 2.688E-9 6.0109999999E-9 1.344E-8 3.006E-8 6.721E-8 1.503E-7 3.36E-7 7.5139999999E-7 0.0000016799999999 0.0000037569999999 0.000008401 0.000018789999999 0.00004201 0.00009393 57-06-7 5971 144209447 D Allyl isothiocyanate C=CC\N=C=S Tox21_202249 -NCGC00259097-01 196705630 tox21-ror-cho-viability-p1 set1 4 0.0436735229 27.542634024 -20.042634024 7.5 0.2 0.6253218299 0.0797069288 -16.70219502 -6.0269531 -9.33652442 -2.87755166 -4.53024554 -8.7285024 -11.50817635 -0.32795777 -1.43510117 0 0.65183649 -2.89726235 -1.19011214 2.34228759 4.61372076 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.9719999999E-8 6.6449999999E-8 1.486E-7 3.3219999999E-7 7.429E-7 0.0000016609999999 0.000003714 0.0000083059999999 0.00001857 0.00004153 0.00009286 556-61-6 11167 144208746 AC D Methyl isothiocyanate C\N=C=S Tox21_201548 -NCGC00163906-02 196706446 tox21-ror-cho-viability-p1 set1 4 -6.98100113 0.93974813 1.85868633 0.14801998 2.09989381 -0.77143421 0.54537825 -0.2226342 -9.261866 13.85877105 0.36415208 7.28277132 6.70361258 5.07188972 0.2430551 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00256879-01 196707325 tox21-ror-cho-viability-p1 set1 4 -1.22112076 3.77671056 0.0334008 1.3711946 3.32270569 0.43542774 -1.51772786 4.68884861 0.5137507 3.71402053 3.94889338 7.34507432 2.3783098 2.8062325 -1.0370516 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 68515-75-3 14306122 144212922 Z F Hexanedioic acid, di-C7-9-branched and linear alkyl esters O=C(OCCCCCCC)CCCCC(=O)OCCCCCCCCC Tox21_302605 -NCGC00163906-02 196706909 tox21-ror-cho-viability-p1 set1 4 1.7228934059 12.633547808 -11.133547808 1.5 0.3 0.4036703306 0.2694776137 -9.83553453 -5.46344284 -13.02355636 -15.11128984 -3.62022795 -7.04936762 -3.81190588 -8.98086494 -0.10007643 -7.98979313 -4.5178226 -5.76971008 -4.56992837 -0.87053764 0.20107257 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00256865-01 196707309 tox21-ror-cho-viability-p1 set1 4 -1.07159931 1.64532454 -0.00135004 2.39604994 -0.40610787 -0.55965675 0.11458438 1.58153029 3.48521277 0.32273521 -0.09172905 4.16322431 1.33103401 1.43029221 2.39528101 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17526-94-2 87146 144212990 F F 3,3'-(4-Methylbenzene-1,3-diyl)bis(1,1-dimethylurea) O=C(Nc1cc(ccc1C)NC(=O)N(C)C)N(C)C Tox21_302673 -NCGC00257324-01 196707315 tox21-ror-cho-viability-p1 set1 4 6.1130564862 7.8177468399 -14.4270482599 -6.60930142 4.9549173134 0.4523954844 0.2226853466 -13.64936383 -14.45196523 -10.87059498 -16.35897874 -6.07028794 -12.66655464 -13.7699695 -13.92651471 -21.60587355 -18.06590127 -17.7707407 -6.14264922 -4.67441785 -10.72904358 -5.97976475 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24851-98-7 102861 144213893 A A Methyl dihydrojasmonate COC(=O)CC1CCC(=O)C1CCCCC Tox21_303588 -NCGC00091483-03 196707327 tox21-ror-cho-viability-p1 set1 4 -1.04739738 1.60577214 -9.84513005 0.74564007 -1.65461639 -5.57271708 0 1.39538015 2.20766335 0.77310889 -15.95583557 0.31916789 1.44183134 -0.43985846 -4.87947798 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00257341-01 196707727 tox21-ror-cho-viability-p1 set1 4 10.8707224818 -22.839692032 -5.0339462919 -27.8736383239 0.4 0.6242468198 0.0802810618 -12.63798933 -6.3988442 -0.86162191 -2.52502281 -6.56610067 -6.56805888 -8.8583248 -11.9270409 -14.82172729 -14.59039548 -15.04071464 -6.69681668 -17.5629955 -24.06136527 -20.28645757 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17696-62-7 87250 144213894 A A Phenylparaben O=C(Oc1ccccc1)c2ccc(O)cc2 Tox21_303589 -NCGC00256884-01 196708135 tox21-ror-cho-viability-p1 set1 4 5.02619456 -0.11512234 -1.19086423 1.21934723 2.4143209 1.55128175 0.03198434 3.01130994 -4.08580221 -1.44089834 3.67020941 3.41968179 2.62230414 5.01195507 3.60982223 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26807-65-8 3702 144213004 A A Indapamide NS(=O)(=O)c1cc(ccc1Cl)C(=O)NN2c3ccccc3CC2C Tox21_302687 -NCGC00090789-02 196708150 tox21-ror-cho-viability-p1 set1 4 2.84063501 -0.3069166 0.58210974 0.62986053 -0.73281114 4.7215454 0.95563041 0.6049737 2.47332431 0.78726417 2.71014003 5.06762683 6.76136934 1.09704121 7.67848254 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00256623-01 196708154 tox21-ror-cho-viability-p1 set1 4 -0.52164174 -5.54514691 1.64114178 -0.1152481 2.43611276 -1.0222596 -5.86642794 1.01365597 0.18415393 2.57576592 2.40380716 0.50085959 3.19006451 0.42416412 -7.58717772 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3352-87-2 18783 144212794 A Ac N,N-Diethyldodecanamide CCN(CC)C(=O)CCCCCCCCCCC Tox21_302477 -NCGC00160496-02 196726208 tox21-ror-cho-viability-p1 set3 4 0.35557236 0.50188826 -2.27722343 -1.28305791 -10.64106018 0.84689053 0.67755786 0.32784626 1.20047386 1.67589516 -0.45402998 -0.23609645 -1.09941585 -0.46698146 -8.7999028 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 537-17-7 10832 170466269 A Amanozine Nc2ncnc(Nc1ccccc1)n2 Tox21_111855_1 -NCGC00255643-01 196727806 tox21-ror-cho-viability-p1 set3 4 19.3311819617 16.1620385719 -2.1620385719 14 3.1319983358 0.5025489515 0.1930120469 -5.05504236 -0.97000433 2.60326819 -2.77983376 -6.99659838 -3.69694401 -9.30169881 -1.79202308 4.43007312 5.31567873 -7.69905149 -0.74403113 5.1092166 12.71079804 4.12744349 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3681-71-8 5363388 144212607 F Fns (3Z)-3-Hexenyl acetate O=C(C)OCC/C=C\CC Tox21_302290 -NCGC00255132-01 196728217 tox21-ror-cho-viability-p1 set3 4 0.0015355304 11.416569972 -10.416569972 1 4.9549173134 0.5010402301 0.1798320265 -8.26380831 2.20077875 -1.44623425 -0.36120898 0.70378875 2.55965544 4.40250335 3.05704357 0.04867115 4.35406083 -2.11101963 -3.1506379 -0.48726869 -0.5049806 1.37540658 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 28434-01-7 162381 144212710 A A Bioresmethrin O=C(OCc2cc(Cc1ccccc1)oc2)[C@@H]3[C@@H](/C=C(\C)C)C3(C)C Tox21_302393 -NCGC00255910-01 196728231 tox21-ror-cho-viability-p1 set3 4 0.0273060203 5.92957886 -4.42957886 1.5 3.1319983358 0.4569899034 0.2195062684 1.15516022 -10.77464905 -4.04017171 -3.17696217 -2.32457551 4.45643701 1.05842058 1.70024769 0.05216048 -2.56265845 0.41973226 1.97046999 0.99145783 2.86144587 2.84396664 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1754-62-7 637520 144211701 A F Methyl (E)-cinnamate O=C(/C=C/c1ccccc1)OC Tox21_301384 -NCGC00015279-08 196725801 tox21-ror-cho-viability-p1 set3 4 0.6682424727 -3.8509739199 2 -1.8509739199 4.9549173134 0.3159939468 0.370664881 -1.71957937 0.01443512 -1.05349555 0.40062863 1.8008596 3.20948436 0.70658784 7.18481612 6.41207426 -1.71656366 -2.54136718 1.34081347 -3.6258116 -3.05592261 3.44220145 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3685-84-5 19379 170465815 A Meclofenoxate hydrochloride Cl.Clc1ccc(OCC(=O)OCCN(C)C)cc1 Tox21_110123_1 -NCGC00016106-13 196725802 tox21-ror-cho-viability-p1 set3 4 0 0 -13.58670914 0 0.81433664 -0.30119081 6.50305272 -12.99097836 3.82781965 -18.8188551 3.11102103 -19.39436778 -4.38353751 -2.50557602 -12.67822555 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 101975-10-4 5723 170466644 A Zardaverine FC(F)Oc1ccc(cc1OC)C=2C=CC(=O)NN=2 Tox21_110307_1 -NCGC00164385-05 196725804 tox21-ror-cho-viability-p1 set3 1.2 4.2163249602 41.5477249759 -2.488138032 39.0595869439 3.9294729863 0.9603686536 0.000006333 -0.72953525 -4.75028824 3.02199322 -0.94856277 -0.11935835 -2.71314276 -0.54420508 -4.96141816 -9.54286412 -6.14509267 -1.25573882 18.54329439 39.72311412 38.14112401 -6.62827926 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 911-45-5 2800 170464951 I Clomifene citrate CCN(CCOc1ccc(cc1)C(c2ccccc2)=C(Cl)c3ccccc3)CC Tox21_113110_1 -NCGC00238452-03 196726224 tox21-ror-cho-viability-p1 set3 4 -1.28142638 -14.69815184 -6.48057275 -7.36647955 -6.59370755 -1.87459856 -4.83078261 -4.09490426 4.02567465 -13.26074773 -10.82210032 -8.62737753 0.54213753 -2.21160533 -9.24397472 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 170364-57-5 176167 170465609 A Enzastaurin Cn2cc(c1ccccc12)C=3C(=O)NC(=O)C=3c7cn(C5CCN(Cc4ncccc4)CC5)c6ccccc67 Tox21_113367_1 -NCGC00257051-01 196726620 tox21-ror-cho-viability-p1 set3 4 -0.85875406 1.25824426 0.79973961 2.38413502 2.79598404 3.23309829 2.15871787 4.30155342 0.35420854 0.73154291 0.16105055 2.01355047 1.61996844 2.00325571 4.42842132 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-62-3 6978 144213506 A A 4-Methyl-2-nitroaniline O=[N+]([O-])c1cc(C)ccc1N Tox21_303189 -NCGC00256799-01 196726625 tox21-ror-cho-viability-p1 set3 4 2.08775541 1.62893553 2.2339821 2.35678885 -1.16947852 0.81545466 1.99236058 1.73898212 0.4020462 1.24652709 1.82641173 0.22862871 1.46271887 0.52850771 2.51550965 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 20665-85-4 539829 144212859 A A Vanillin isobutyrate COc1cc(ccc1OC(=O)C(C)C)C=O Tox21_302542 -NCGC00090874-04 196726636 tox21-ror-cho-viability-p1 set3 4 1.74956719 0.95600344 20.91960489 2.46601514 1.18652727 3.228298 3.63359894 -1.61954834 1.30829891 -2.1131326 0.03186258 10.64608048 1.48307436 -0.19985393 0.32363735 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00256376-01 196727039 tox21-ror-cho-viability-p1 set3 4 0.0432771257 10.0752219319 -10.5752219319 -0.5 4.9549173134 0.4139754776 0.2582687187 -0.41156016 -22.97935161 0 -18.76125836 -9.72986904 0 0 -0.92402937 0 0 -0.12550131 -4.18077287 2.32966308 -2.0484474 0.80193701 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 65-45-2 5147 144213118 A A Salicylamide O=C(N)c1ccccc1O Tox21_302801 -NCGC00254965-01 196714590 tox21-ror-cho-viability-p1 set2 4 0.73718786 0.58904972 4.51767491 1.33633427 3.48785121 5.28355987 3.44314433 1.56383153 6.00119863 8.68074244 4.20063766 5.20793633 7.32302616 0.86803534 -1.17467241 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 5598-15-2 21804 144211380 B D Chlorpyrifos oxon Clc1cc(Cl)c(Cl)nc1OP(=O)(OCC)OCC Tox21_301063 -NCGC00257878-01 196715432 tox21-ror-cho-viability-p1 set2 4 1.0605945742 4.4511704399 -3.4511704399 1 0.9999999999 0.4099149908 0.2665489591 -1.58774746 -0.69502757 -4.39070237 -2.18868458 -8.7093087 -0.79715293 -5.62096925 -0.38122749 -2.07415581 0.11869535 -0.68429395 0.32733258 -0.88233677 2.23719719 1.49789071 1.156E-9 2.585E-9 5.78E-9 1.292E-8 2.8899999999E-8 6.4619999999E-8 1.4449999999E-7 3.231E-7 7.225E-7 0.000001615 0.000003612 0.0000080769999999 0.000018059999999 0.00004039 0.00009031 529-19-1 10721 144207522 B A 2-Tolunitrile N#Cc1ccccc1C Tox21_200324 -NCGC00254912-01 196714607 tox21-ror-cho-viability-p1 set2 4 1.48361483 -0.58459346 -1.79300182 -1.01606224 0.92792512 0.32623111 -2.98654692 -2.86727213 -3.13985686 0.26980186 -1.11654981 -2.59307425 -1.57688615 -1.60018502 0.63851744 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 219714-96-2 11784975 144211327 A A Penoxsulam FC(F)(F)c1cccc(OCC(F)F)c1S(=O)(=O)Nc2nc3c(cnc(OC)n3n2)OC Tox21_301010 -NCGC00257929-01 196715416 tox21-ror-cho-viability-p1 set2 4 -4.65478323 -2.16967409 -6.92145385 -0.96367739 -7.53560499 -2.38031789 -6.01752918 -4.93901035 -1.39401224 -7.56870714 -4.75028774 -0.19460666 -8.04389313 -6.18901184 -17.3874161 1.1679999999E-9 2.6109999999E-9 5.838E-9 1.305E-8 2.919E-8 6.5269999999E-8 1.459E-7 3.2629999999E-7 7.297E-7 0.0000016319999999 0.000003648 0.0000081579999999 0.000018239999999 0.000040789999999 0.000091209999999 92-59-1 7098 144207573 A A N-Ethyl-N-phenyl benzylamine CCN(Cc1ccccc1)c2ccccc2 Tox21_200375 -NCGC00258296-01 196715848 tox21-ror-cho-viability-p1 set2 -2.1 39.9082261048 -78.3968422511 1.8944136479 -76.5024286032 2.2526478767 0.9721779654 3.161E-7 5.14493276 3.4555108 1.47477306 0.3216014 2.19248321 -0.14769845 3.00597914 1.4495651 0.96818697 3.82432251 -0.14770992 -6.62732878 -1.59535958 -43.64663418 -65.91093076 1.214E-9 2.7139999999E-9 6.0679999999E-9 1.357E-8 3.034E-8 6.7839999999E-8 1.517E-7 3.3919999999E-7 7.5849999999E-7 0.000001696 0.0000037919999999 0.00000848 0.00001896 0.000042399999999 0.00009481 83-38-5 6737 144207940 A A 2,6-Dichlorobenzaldehyde O=Cc1c(Cl)cccc1Cl Tox21_200742 -NCGC00258061-01 196715852 tox21-ror-cho-viability-p1 set2 4 -1.71074844 -0.50298218 -0.71282398 -1.71135674 -1.92096292 -1.87891881 0.92303557 -1.83774303 -1.14563215 -1.78229128 -1.93814867 0.31307814 -0.77362953 -2.89969217 0.27015787 1.1989999999E-9 2.6809999999E-9 5.9959999999E-9 1.3409999999E-8 2.998E-8 6.704E-8 1.4989999999E-7 3.352E-7 7.495E-7 0.000001676 0.000003747 0.00000838 0.000018739999999 0.000041899999999 0.000093689999999 81-16-3 6670 144207705 A B 2-Amino-1-naphthalenesulfonic acid O=S(=O)(O)c2c(N)ccc1ccccc12 Tox21_200507 -NCGC00258460-01 196716253 tox21-ror-cho-viability-p1 set2 -1.3 19.2918709672 -76.2226822027 -3.048975682 -79.2716578847 3.9294729863 0.993537965 0.1040830105 -3.73388003 -1.4746687 1.7426885 -4.83074268 -4.43482333 -1.92950094 -6.49910501 -5.22646648 -4.56253992 -3.73576051 -0.24540032 -34.15312277 23.03212208 -75.58990524 -78.74706832 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 55-55-0 5930 144208104 FNS N-Methyl-p-aminophenol sulfate CNc1ccc(O)cc1.O=S(=O)(O)O.CNc1ccc(O)cc1 Tox21_200906 -NCGC00258154-01 196716256 tox21-ror-cho-viability-p1 set2 -1.1 31.2933176752 -84.3329222224 -1.5582881359 -85.8912103583 4.0949729863 0.9953630533 0 -2.29751491 -1.55131016 0.66401293 -1.7434728 -1.35264874 -0.93404431 1.11287057 -0.13264137 -2.13068541 -2.08139514 -0.5251833 -3.42777308 -13.78982904 -66.64583078 -89.47001079 1.2009999999E-9 2.686E-9 6.005E-9 1.3429999999E-8 3.003E-8 6.714E-8 1.501E-7 3.3569999999E-7 7.507E-7 0.000001679 0.000003753 0.000008393 0.000018769999999 0.00004196 0.000093829999999 61546-01-8 2734231 144207798 A A 1-Hexadecyl-3-methylimidazolium chloride [Cl-].C[n+]1ccn(CCCCCCCCCCCCCCCC)c1 Tox21_200600 -NCGC00257811-01 196716261 tox21-ror-cho-viability-p1 set2 4 -0.29435562 -0.41183897 -0.47282801 -0.88480941 1.01630803 0.06353947 -0.95946412 -0.69802206 -0.42296954 0.09674009 -2.31219706 0.54581067 -0.68586268 2.93271518 -0.81059246 1.1699999999E-9 2.6159999999E-9 5.849E-9 1.3079999999E-8 2.925E-8 6.54E-8 1.462E-7 3.27E-7 7.3119999999E-7 0.000001635 0.000003656 0.000008175 0.00001828 0.000040869999999 0.0000914 68-36-0 6233 144207455 A A 1,4-Bis(trichloromethyl)benzene ClC(Cl)(Cl)c1ccc(cc1)C(Cl)(Cl)Cl Tox21_200257 -NCGC00258355-01 196716272 tox21-ror-cho-viability-p1 set2 4 -0.11000777 2.6400325 5.0358931 -0.05620899 3.41738324 -0.64789808 1.94463813 4.29445074 3.96597085 2.94426018 1.60646505 0.05201007 2.23310538 0.75692294 1.36417829 1.2359999999E-9 2.764E-9 6.1809999999E-9 1.382E-8 3.09E-8 6.9099999999E-8 1.545E-7 3.4549999999E-7 7.7259999999E-7 0.0000017279999999 0.000003863 0.000008638 0.000019309999999 0.00004319 0.000096569999999 106-95-6 7841 144207999 D Allyl bromide BrCC=C Tox21_200801 -NCGC00091086-02 196716665 tox21-ror-cho-viability-p1 set2 4 -0.85373789 -1.24505463 -0.60837025 -1.45809327 -0.18340591 -1.34242911 0.00182658 -2.37818623 -0.06651784 0.32028552 -2.67321521 -0.07300957 -1.86010781 -2.41311509 0.3240963 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00163815-04 196716666 tox21-ror-cho-viability-p1 set2 -2.2 58.1036241395 -47.0250791494 -1.023805389 -48.0488845384 2.4729283767 0.969149384 5.704E-7 0.01144009 -1.6234235 -3.84311404 -0.31225857 -2.35545492 -1.8090459 -2.62057902 -2.44982494 2.32223227 1.14669602 1.83031797 -1.94097483 -5.57471515 -15.92524016 -37.91582162 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00184998-02 196698649 tox21-ror-cho-viability-p1 set1 4 0.76536698 5.62685385 2.26824607 1.59536758 5.03223704 -0.4160108 4.60599439 8.05906415 -0.36070718 -0.07642158 0.30638816 0.43160855 0.35590596 2.07537098 0.52194021 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 86197-47-9 55483 170466408 A Dopexamine Oc2ccc(CCNCCCCCCNCCc1ccccc1)cc2O Tox21_113031_1 -NCGC00167537-02 196698242 tox21-ror-cho-viability-p1 set1 4 3.74689885 5.28377214 5.66541201 7.26944758 0.7359952 2.56830168 0.20260102 5.70114749 2.73573522 -0.73260767 2.49349901 5.52811148 1.75981148 4.29712026 0.67116562 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 120011-70-3 5741 170464858 A Donepezil hydrochloride Cl.COc1cc2C(=O)C(Cc2cc1OC)CC4CCN(Cc3ccccc3)CC4 Tox21_112534_1 -NCGC00182550-02 196698248 tox21-ror-cho-viability-p1 set1 4 2.16962138 5.61105986 -0.4561028 2.51587395 3.50857894 3.55996177 0.54024193 1.63052202 1.7709069 0.85345132 3.57082173 -0.26745621 1.04567127 3.24299808 2.35847504 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 616202-92-7 11658860 170466882 A Lorcaserin Clc2cc1c(CCNC[C@@H]1C)cc2 Tox21_113018_1 -NCGC00095042-06 196698250 tox21-ror-cho-viability-p1 set1 4 72.3028958747 10.4746368399 -0.9746368399 9.5 4.9549173134 0.6928163127 0.04267379 -0.56312347 -0.63609373 -2.20687695 -1.85727332 0.39485352 -1.05299445 -0.96581725 -5.3955307 -0.70301399 0.28772104 0.31717586 -2.3568185 0.0722948 -0.8956246 7.49060887 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00016066-14 196698650 tox21-ror-cho-viability-p1 set1 4 -0.32942481 6.37461527 0.60342591 -0.34343632 7.70892112 0.59917269 0.00717067 3.91540966 3.80253558 8.13772738 1.62890803 5.00961615 3.38239448 -0.25600345 -0.44009078 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64887-14-5 167980 170466013 A Urapidil hydrochloride Cl.COc3ccccc3N2CCN(CCCNC1=CC(=O)N(C)C(=O)N1C)CC2 Tox21_111286_1 -NCGC00253967-01 196698665 tox21-ror-cho-viability-p1 set1 -2.2 54.4826732819 -61.5241542472 -0.350764256 -61.8749185032 1.8616924601 0.9602619126 0.0000023646 -1.26788397 0.96332609 0.83939653 0.30497944 -7.27994749 0.58301727 0.41732758 0.07384466 1.6327043 -1.06907604 0.27419035 -0.20751318 -12.52814227 -21.37238635 -46.87493826 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65277-42-1 456201 144210587 A A Ketoconazole CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]4CO[C@@](Cn3cncc3)(O4)c5ccc(Cl)cc5Cl Tox21_300267 -NCGC00254011-01 196699060 tox21-ror-cho-viability-p1 set1 -2.2 61.130564862 -40.01826038 -2 -42.01826038 0.9999999999 0.8127087938 0.0060283628 1.46414748 0.45616262 -1.10161013 0.42998183 -1.03652012 -4.32631502 0.88294289 -4.73414658 -8.85392211 -9.46334973 -5.1440344 -5.1876661 -10.68251656 -13.28276013 -31.68188365 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 127308-82-1 3086618 144210530 A A Zamifenacin c1cc(cc2OCOc12)CCN5CCC[C@@H](OC(c3ccccc3)c4ccccc4)C5 Tox21_300210 -NCGC00254534-01 196699477 tox21-ror-cho-viability-p1 set1 4 -1.80112664 0.04976279 -0.79957187 0.08660414 -3.44064619 -3.54720893 -4.13623628 -1.62158212 -1.09637114 -1.36950337 -3.01897394 -1.76065461 -2.21705658 5.79352151 0.60034782 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 197077-55-7 9867605 144210769 A A UK-333747 [O-][n+]1cccc(c1)c4nnc(COC)n4c2c(Cl)c(Cl)cc3NC(=O)C(=O)Nc23 Tox21_300451 -NCGC00254405-01 196699488 tox21-ror-cho-viability-p1 set1 4 7.04428214 -1.11561773 -2.31149217 -1.56640883 -1.98246626 1.51345273 2.44835518 7.41448703 -0.83206923 2.26594594 -2.0579641 1.36861932 0.98795188 0.60658324 7.15990095 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-55-3 7565 144210830 A A p-Bromodiphenyl ether Brc2ccc(Oc1ccccc1)cc2 Tox21_300512 -NCGC00168464-04 196723165 tox21-ror-cho-viability-p1 set3 4 0.5955717307 -8.8222281919 -1 -9.8222281919 2.3331733767 0.9107253149 0.0003507336 -3.37986617 0.820783 -0.81122015 -1.09820586 -1.76812202 -0.96887024 0.73783121 -1.36540181 -2.43154329 -7.25613724 -9.73430329 -9.35714084 -11.93519016 -8.05909768 6.06677195 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 92953-10-1 175533 170466548 D Clofilium tosylate Clc1ccc(CCCC[N+](CC)(CC)CCCCCCC)cc1.[O-]S(=O)(=O)c1ccc(C)cc1 Tox21_110799_1 -NCGC00183833-01 196722751 tox21-ror-cho-viability-p1 set3 4 -0.93844152 0.16153788 -0.69831684 1.95409391 0.94823304 7.23112182 0.67389563 -1.13954145 -3.01764914 5.49599834 -7.69679377 4.66545229 4.14040846 3.32807648 6.46101701 5.899E-12 1.319E-11 2.949E-11 6.595E-11 1.475E-10 3.2969999999E-10 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 187269-40-5 9811353 144206811 A A Bimosiamose O=C(O)Cc1cccc(c1)c3cc(ccc3O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)CCCCCCc5ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)c(c5)c6cccc(CC(=O)O)c6 Tox21_113260 -NCGC00259409-01 196708533 tox21-ror-cho-viability-p1 set2 4 -0.59860509 3.24561788 -0.46630118 0.92302943 -2.59250962 0.45672225 2.4315653 1.9089 0.68593092 3.4455887 0.08997205 2.59152608 5.03422785 1.30997317 0.05658591 1.167E-9 2.609E-9 5.8339999999E-9 1.305E-8 2.917E-8 6.523E-8 1.459E-7 3.261E-7 7.2929999999E-7 0.000001631 0.000003646 0.000008154 0.00001823 0.00004077 0.000091159999999 621-64-7 12130 144209058 A A N-Nitrosodipropylamine CCCN(CCC)N=O Tox21_201860 -NCGC00256732-01 196707715 tox21-ror-cho-viability-p1 set1 4 -12.70740803 -20.84758976 -17.11693396 -15.80747889 -14.46614417 -14.60216043 -4.97705441 -4.64804091 -16.74350822 -17.99220951 -20.47781349 -2.51753851 -13.54316288 -6.34957157 -4.79176814 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 502-47-6 10402 144213011 A A Citronellic acid O=C(O)CC(C)CC\C=C(/C)C Tox21_302694 -NCGC00256724-01 196708119 tox21-ror-cho-viability-p1 set1 4 -6.65528578 -0.40419883 -3.27660287 -6.07677348 -9.91303092 -10.20391871 -1.77942354 -5.24250487 -2.93294596 0.47148344 -13.09851169 -7.33207158 -7.42408098 -7.91663132 -5.7645757 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 1118-39-4 14235 144212885 F F 2-methyl-6-methylideneoct-7-en-2-yl acetate C=CC(=C)CCCC(C)(C)OC(C)=O Tox21_302568 -NCGC00259792-01 196708528 tox21-ror-cho-viability-p1 set2 4 -0.4165369 -4.19293174 -4.19797487 -6.24960642 -0.53603699 0.05813528 1.51597554 0.85125881 -0.32530209 -0.23914467 -0.05755994 -0.46318987 -2.79244519 -5.26177931 -0.02170519 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.000041429999999 0.000092629999999 72-14-0 5340 144209441 A A Sulfathiazole O=S(=O)(Nc1nccs1)c2ccc(N)cc2 Tox21_202243 -NCGC00259189-01 196708534 tox21-ror-cho-viability-p1 set2 4 -0.32376928 0.75147573 1.45058272 0.36546196 -0.22934001 0.06610193 0.31311897 0.91782708 0.20258465 0.14959215 -1.35157905 -1.30410731 -0.34916995 -0.84421793 1.75604556 1.141E-9 2.5509999999E-9 5.705E-9 1.276E-8 2.852E-8 6.378E-8 1.426E-7 3.189E-7 7.1309999999E-7 0.000001594 0.0000035649999999 0.000007972 0.000017829999999 0.000039859999999 0.00008913 563-47-3 11241 144208838 AC Ac 3-Chloro-2-methylpropene C=C(C)CCl Tox21_201640 -NCGC00259691-01 196708535 tox21-ror-cho-viability-p1 set2 4 0.87727721 -1.62700811 0.78417285 -2.2211021 -1.16188234 -2.43709824 0.92608151 -1.59226288 -2.42081254 -3.20514776 -1.8252204 -2.2060493 1.69268351 -0.32283365 -0.52675485 1.1469999999E-9 2.564E-9 5.734E-9 1.282E-8 2.867E-8 6.411E-8 1.434E-7 3.206E-7 7.168E-7 0.000001603 0.000003584 0.0000080139999999 0.00001792 0.00004007 0.0000896 106-49-0 7813 144209340 A A 4-Methylaniline Cc1ccc(N)cc1 Tox21_202142 -NCGC00258865-01 196708943 tox21-ror-cho-viability-p1 set2 4 0.77636444 -1.51297643 -1.94955599 -3.14868719 -1.0928822 0.85410124 -1.30869183 0.44772974 1.17988414 0.8969168 -0.92932379 -0.09731685 1.74938573 5.00541964 1.88021567 1.197E-9 2.677E-9 5.986E-9 1.338E-8 2.993E-8 6.6919999999E-8 1.496E-7 3.346E-7 7.482E-7 0.000001673 0.000003741 0.000008366 0.00001871 0.00004183 0.00009353 98-87-3 7411 144208511 A D Benzal chloride ClC(Cl)c1ccccc1 Tox21_201313 -NCGC00258941-01 196708965 tox21-ror-cho-viability-p1 set2 -2.2 48.7553235558 -47.7240160246 1.931646083 -45.7923699416 2.4063783767 0.9784837882 7.26E-8 3.5704266 -0.94989265 3.09596015 -0.43104004 0.90260511 2.08542861 3.08354425 2.92350053 3.64558596 2.33449275 0.94789073 -1.74641773 -0.80920967 -17.26041456 -37.72149238 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.96E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 305-03-3 2708 144208588 A Fc Chlorambucil O=C(O)CCCc1ccc(cc1)N(CCCl)CCCl Tox21_201390 -NCGC00163818-04 196709407 tox21-ror-cho-viability-p1 set2 -2.2 18.3739792591 -61.5131661305 1.9815153629 -59.5316507676 0.7999999999 0.9564948977 0.0000039075 5.08511094 2.812238 2.05239464 0.32405868 -0.73361835 -1.50958606 2.99077752 2.94200935 -1.56454031 -12.65927077 -12.65201855 -12.20008792 -32.72078194 -43.26907058 -45.09973543 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00258887-01 196708567 tox21-ror-cho-viability-p1 set2 4 2.36841791 0.1798233 -0.34109515 0.88227331 0.70408271 -0.09019153 2.21992969 1.30173195 3.70838004 1.39929046 1.72528248 0.06679662 1.69766596 4.29467193 1.11419972 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.96E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 111-27-3 8103 144208533 A A 1-Hexanol CCCCCCO Tox21_201335 -NCGC00259982-01 196709390 tox21-ror-cho-viability-p1 set2 4 0.63375906 -2.02303683 -1.47421876 0.03271154 0.28327617 -3.59079641 2.1623129 -1.41971174 -0.06290297 -0.05776612 0.94169746 0.60870573 -1.44382193 -0.01999886 0.35695663 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-54-1 7338 144209631 A A Isoeugenol Oc1ccc(cc1OC)C=CC Tox21_202433 -NCGC00259496-01 196709406 tox21-ror-cho-viability-p1 set2 4 -1.48801321 -1.54106642 -0.33062956 -4.96616276 3.17622072 -0.13897325 -0.86590502 -0.17200907 0.32908201 4.72924318 0.32710237 0.19230449 -0.1107077 0.32784747 -5.35552662 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.346E-7 0.000001643 0.000003673 0.0000082129999999 0.000018359999999 0.00004106 0.000091819999999 82-68-8 6720 144209145 Pentachloronitrobenzene Clc1c(c(Cl)c(Cl)c(Cl)c1Cl)[N+]([O-])=O Tox21_201947 -NCGC00255868-01 196709811 tox21-ror-cho-viability-p1 set2 4 0.44460799 2.03999861 0.31119431 -1.54152638 -0.09815089 0.54571998 -1.05522943 2.50631506 -0.51496432 -1.87113539 2.23693274 3.47955653 4.39823548 1.82979858 -2.2028817 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 926-39-6 70223 144212362 A 2-Aminoethyl hydrogen sulfate O=S(=O)(O)OCCN Tox21_302045 -NCGC00255465-01 196709812 tox21-ror-cho-viability-p1 set2 4 -1.48656826 -2.34626853 0.66719009 -2.22964843 -5.49748104 -3.4306992 0.39369887 -3.88318596 -2.14950233 2.41838582 -3.66583631 -0.10634905 -4.99428041 -3.35603102 -3.00652935 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 41814-78-2 39040 144212736 A A 2,7,8,9-Tricyclazole Cc1cccc2sc3nncn3c12 Tox21_302419 -NCGC00257973-01 196729471 tox21-ror-cho-viability-p1 set3 -2.1 61.6904908231 -110.2188477654 -1.586107347 -111.8049551124 2.3031167061 0.9886443087 1.7E-9 0.46239834 0.51060066 -0.85847582 1.1603499 -0.33996315 -1.14829087 -5.47116157 -0.44122908 0.3730043 -2.9748073 0.18570616 -4.83971898 -12.14366226 -32.28540693 -84.70072357 1.189E-9 2.66E-9 5.9469999999E-9 1.3299999999E-8 2.973E-8 6.649E-8 1.487E-7 3.3239999999E-7 7.4339999999E-7 0.000001662 0.0000037169999999 0.0000083109999999 0.000018579999999 0.00004156 0.00009292 122-19-0 31204 144207617 A A N,N-Dimethyl-N-benzyl-N-octadecylammonium chloride [Cl-].C[N+](C)(Cc1ccccc1)CCCCCCCCCCCCCCCCCC Tox21_200419 -NCGC00258576-01 196729465 tox21-ror-cho-viability-p1 set3 4 43.409191146 -17.1862011079 1.5 -15.6862011079 2.4063783767 0.9110559242 0.0001813836 0.29371403 2.02786453 1.01700475 1.90863238 1.85968774 0.48613679 0.12613123 -1.27324598 3.40963998 0.79096645 1.96053236 2.26145544 1.15628195 -7.81773591 -12.65516759 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.613E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.00001848 0.00004133 0.00009242 66-22-8 1174 144208221 A A Uracil O=C1C=CNC(=O)N1 Tox21_201023 -NCGC00258458-01 196729466 tox21-ror-cho-viability-p1 set3 4 -5.26326736 -0.7506966 0.17181887 3.7233256 0.23198529 -1.07199631 -6.61939414 -2.00815709 -7.31889536 -9.66697173 -5.16639549 -0.8575492 -0.54240963 2.0488063 2.54694085 1.1689999999E-9 2.6129999999E-9 5.844E-9 1.3069999999E-8 2.922E-8 6.5339999999E-8 1.461E-7 3.267E-7 7.305E-7 0.0000016329999999 0.000003652 0.000008167 0.00001826 0.000040829999999 0.000091309999999 2493-84-7 17231 144208102 A A 4-Octyloxybenzoic acid O=C(O)c1ccc(OCCCCCCCC)cc1 Tox21_200904 -NCGC00258379-01 196729469 tox21-ror-cho-viability-p1 set3 4 0.01740639 0.54821745 1.32765842 0.68870702 1.21134938 -0.65297991 0.9008022 0.41352346 0.72250328 4.40968986 0.94512036 0.91573059 -0.69197179 0.10977841 0.76512434 1.2009999999E-9 2.686E-9 6.005E-9 1.3429999999E-8 3.003E-8 6.714E-8 1.501E-7 3.3569999999E-7 7.507E-7 0.000001679 0.000003753 0.000008393 0.000018769999999 0.00004196 0.000093829999999 792188-85-3 53316418 144208023 A A Diethylmethylsulfonium bis(trifluoromethylsulfonyl)imide FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.CC[S+](C)CC Tox21_200825 -NCGC00257563-01 196729474 tox21-ror-cho-viability-p1 set3 4 1.0826517597 -14.029340944 -1 -15.029340944 2.4063783767 0.674997598 0.0604382554 -2.00277796 0.69967571 -0.04351532 -2.18427365 -1.38704715 -1.77881443 -2.39787725 -2.0541046 -0.66826406 -13.27379043 -19.93400488 -24.60778412 -10.03737337 -5.83350728 -8.37684528 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.571E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008214 0.00001837 0.00004107 0.00009184 944-22-9 13676 144207207 A A Fonofos S=P(Sc1ccccc1)(CC)OCC Tox21_200009 -NCGC00255324-01 196727880 tox21-ror-cho-viability-p1 set3 4 0.87172254 7.85030548 -2.32514037 -4.64223861 -12.7450419 -1.48697613 -4.13291574 -0.93781168 -8.67479539 -8.97607406 -10.06776004 3.07542024 6.67238473 1.37040474 -0.82130821 1.286E-9 2.8749999999E-9 6.4289999999E-9 1.438E-8 3.2149999999E-8 7.1879999999E-8 1.607E-7 3.594E-7 8.0369999999E-7 0.000001797 0.0000040179999999 0.000008985 0.00002009 0.00004493 0.00010049999999 4979-32-2 21080 144211575 A Ac N,N-Dicyclohexyl-2-benzothiazolesulfenamide c1cccc2sc(nc12)SN(C3CCCCC3)C4CCCCC4 Tox21_301258 -NCGC00256400-01 196727471 tox21-ror-cho-viability-p1 set3 4 -0.93931615 -0.48958991 -0.77150938 1.26528407 5.75796324 1.51831684 7.71391106 5.77362689 -12.84447029 -18.2366596 -13.02126942 0.27068242 0.64514354 4.9462656 6.90988413 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-04-1 8870 144213186 A C Aniline hydrochloride Cl.Nc1ccccc1 Tox21_302869 -NCGC00256396-01 196727478 tox21-ror-cho-viability-p1 set3 -2.1 21.6899429044 -84.394173701 0.231406413 -84.162767288 1.287561 0.9808894078 3.65E-8 0.70548046 -1.596316 3.67505516 0.52103838 -0.54476064 -1.18367778 4.21696313 -1.01418056 -7.25287626 -0.0107345 -12.10508699 -12.31605961 -40.53827112 -57.40743948 -73.46897274 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-00-7 6 144213119 A A 1-Chloro-2,4-dinitrobenzene O=[N+]([O-])c1cc(ccc1Cl)[N+]([O-])=O Tox21_302802 -NCGC00255178-01 196727878 tox21-ror-cho-viability-p1 set3 4 5.4482673282 -5.550960132 2 -3.550960132 4.9549173134 0.3782387631 0.2946484195 0 -4.56137972 3.03776489 -0.23731754 3.43458288 2.96555348 3.71527393 2.31254836 5.57116604 0.54286681 5.17891523 -7.12580011 1.057218 -4.91323237 -2.92561932 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-80-0 7313 144212186 A Ac 2-(Diisopropylamino)ethanol CC(C)N(CCO)C(C)C Tox21_301869 -NCGC00256061-01 196728306 tox21-ror-cho-viability-p1 set3 4 0.0030637859 7.6329716199 -5.6329716199 2 2.4063783767 0.4119417958 0.263579948 -4.27747635 -3.79630533 3.37097983 2.30279604 -1.77791305 0.51984398 3.57540921 1.8317645 3.50676597 2.18848674 1.75219876 -2.36199622 5.43154915 -0.14147936 5.94690238 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2612-29-5 102293 144211579 A A 2-Ethylpropane-1,3-diol CCC(CO)CO Tox21_301262 -NCGC00255869-01 196728715 tox21-ror-cho-viability-p1 set3 4 -0.67318988 13.0418455 0.83576888 5.24898249 2.00075447 -0.32006795 2.03065166 1.10635723 5.75685827 1.79608203 1.36236518 -0.57867408 -0.99258516 -0.48973263 1.42489477 8.111E-10 1.814E-9 4.055E-9 9.0679999999E-9 2.0279999999E-8 4.5339999999E-8 1.014E-7 2.267E-7 5.069E-7 0.000001133 0.000002535 0.0000056669999999 0.000012669999999 0.00002834 0.00006336 91648-24-7 73854 144211768 F Ac Pentaerythritol allyl ether C=CCOCC(COCC=C)(CO)COCC=C Tox21_301451 -NCGC00255479-01 196728720 tox21-ror-cho-viability-p1 set3 4 10.8707224818 -5.2424950679 1 -4.2424950679 4.9549173134 0.39005212 0.2838286168 -2.87628196 -1.22750359 -3.22033577 -0.69490848 -0.05114443 2.30973814 6.26633659 0.91253161 3.55370659 3.63944624 4.11780135 0.72744215 -5.61874589 -5.42094356 -1.67461263 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 32889-48-8 36274 144212221 A A Procyazine Clc2nc(NC1CC1)nc(NC(C)(C)C#N)n2 Tox21_301904 -NCGC00257090-01 196719163 tox21-ror-cho-viability-p1 set2 -2.2 48.5577336745 -39.680365624 1 -38.680365624 2.1876167061 0.9771372251 1.031E-7 0.13812894 0.8005753 -1.54598081 0.61563 0.80436808 3.48279573 1.7645182 3.09932966 -0.80295822 0.08218526 -0.60803549 1.10549747 -2.86057523 -15.37514285 -30.98363802 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 518-82-1 3220 144213535 A A Emodin Cc3cc2C(=O)c1cc(O)cc(O)c1C(=O)c2c(O)c3 Tox21_303218 -NCGC00256829-01 196718758 tox21-ror-cho-viability-p1 set2 4 -0.7282362 -2.47586988 0.15704575 -1.60333802 -1.24543197 -4.30030359 -0.11554485 -0.61833476 0.45094389 3.30880062 -0.27212235 -0.31258777 -0.65917662 2.45014546 0.63401366 8.3169999999E-10 1.86E-9 4.159E-9 9.299E-9 2.079E-8 4.6489999999E-8 1.0399999999E-7 2.325E-7 5.198E-7 0.0000011619999999 0.000002599 0.000005812 0.000013 0.000029059999999 0.00006498 1191-16-8 14489 144213041 F 3,3-Dimethylallyl acetate CC(=O)OC\C=C(/C)C Tox21_302724 -NCGC00257331-01 196718767 tox21-ror-cho-viability-p1 set2 4 10.8707224818 9.0572621359 -3.0572621359 6 1.111 0.4163269195 0.2570996677 0.83010341 0.01061119 -0.76942022 -0.2220715 -13.38105178 -4.68353715 -7.85366862 -0.0258028 -3.10327082 -1.2851267 -0.87458304 -0.22246898 3.84195454 3.39573375 5.80822308 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15499-27-1 524314 144213746 A Ac 4-Butylchlorobenzene Clc1ccc(CCCC)cc1 Tox21_303435 -NCGC00257114-01 196719166 tox21-ror-cho-viability-p1 set2 4 1.41349755 -0.16080841 0.4908763 1.0588737 1.44321794 2.38222353 1.39272303 5.80585287 2.00301355 1.69836337 0.3631456 5.75337052 2.76223379 4.53213285 0.98742005 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-56-6 7394 144213578 Fns 1-Chloro-4-(trifluoromethyl)benzene FC(F)(F)c1ccc(Cl)cc1 Tox21_303261 -NCGC00247684-01 196717941 tox21-ror-cho-viability-p1 set2 4 0.4432605223 -5.8892454999 -2 -7.8892454999 2.3331733767 0.5635210102 0.12559393 1.86812735 -2.41027336 -7.7167856 -2.19897979 -0.79497346 -2.47276287 0.27406825 -3.27338326 -8.77466026 -11.57437125 -10.58149221 -5.33655784 -6.84607126 -5.46643346 -7.91836578 1.3249999999E-9 2.9619999999E-9 6.6239999999E-9 1.481E-8 3.3119999999E-8 7.406E-8 1.656E-7 3.703E-7 8.28E-7 0.000001852 0.0000041399999999 0.0000092579999999 0.0000207 0.00004629 0.0001035 64-52-8 60977 144206386 A A 1-(2-Phenylethyl)-4-phenyl-4-acetoxypiperidine CC(=O)OC2(CCN(CCc1ccccc1)CC2)c3ccccc3 Tox21_112833 -NCGC00263561-01 196717542 tox21-ror-cho-viability-p1 set2 -2.2 26.6032120037 -50.9571792488 0.9550372529 -50.0021419959 3.6772481694 0.9477032735 0.0000107558 0.10471249 1.70089963 3.11119895 4.78584332 4.2425766 5.86450914 0.50001543 1.26951814 -0.20781218 0.24234319 -3.5055028 -3.31593164 -3.71386894 -11.98187957 -44.58511833 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 360-70-3 9677 170464711 F Nandrolone decanoate CCCCCCCCCC(=O)O[C@H]2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@@H]1[C@H]4CC[C@]23C Tox21_111638_1 -NCGC00178168-04 196717543 tox21-ror-cho-viability-p1 set2 4 -3.13689821 -6.31210244 -5.6183171 -0.7346931 -1.41424284 -6.63272611 -2.91267849 -5.62311308 -1.40417365 -4.8469132 1.43780965 -2.67548179 -3.08646572 -3.4117465 -6.10782383 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 439-14-5 3016 170464626 A Diazepam Clc1ccc2c(c1)C(=NCC(=O)N2C)c3ccccc3 Tox21_113071_1 -NCGC00021152-06 196717937 tox21-ror-cho-viability-p1 set2 4 -0.62337207 2.41861831 0.06943053 2.89092728 3.31814682 4.65343179 4.1313669 6.52675386 3.78993065 0.14046018 0.24680508 -2.95382642 -2.78388313 -0.57578503 -1.05587183 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68-88-2 3658 170464958 A Hydroxyzine Clc1ccc(cc1)C(c2ccccc2)N3CCN(CC3)CCOCCO Tox21_113569_1 -NCGC00159485-06 196717948 tox21-ror-cho-viability-p1 set2 4 -1.91268708 -0.22803436 -0.44616626 0.76014986 -2.45372954 -0.27078987 0.92856112 0.96083582 1.17815769 -4.84289613 -2.44548165 -4.63166731 -3.21152165 -0.62530995 -1.04651973 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 15708-41-5 27461 170464680 A Ethylenediaminetetraacetic acid ferric sodium salt [Fe+3].[Na+].[O-]C(=O)CN(CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O Tox21_112117_1 -NCGC00159450-04 196717949 tox21-ror-cho-viability-p1 set2 2.4 7.4978038628 26.453415908 -6.453415908 20 0.4 0.6986470814 0.0387428966 -5.27227685 -3.8536316 -7.54546111 -10.37784659 -2.30679279 -2.68632783 0.37835505 -1.0707659 -0.8802266 -3.02778412 11.5243926 1.21122806 1.03510625 11.58993228 14.03165097 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-23-5 7183 170465538 A Parethoxycaine CCOc1ccc(cc1)C(=O)OCCN(CC)CC Tox21_111677_1 -NCGC00179312-03 196717951 tox21-ror-cho-viability-p1 set2 4 0.9439175816 5.2489697239 -4.2489697239 1 4.5044702849 0.4589861361 0.2176216374 -1.80123097 -0.24464202 -3.0898269 -5.36303379 -2.81295926 -3.3501487 -6.18636529 -12.70747477 -2.95647865 -2.3045919 1.21303362 2.62231841 -0.27435139 0.8423574 0.86302278 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 742-20-1 2904 170466046 A Cyclopenthiazide NS(=O)(=O)c3cc1c(NC(NS1(=O)=O)CC2CCCC2)cc3Cl Tox21_110481_1 -NCGC00262948-01 196717952 tox21-ror-cho-viability-p1 set2 4 -0.79072749 -1.03105325 -0.21448829 4.22793333 3.78500669 4.67464796 4.88863513 4.32032552 2.39237044 -0.83961738 -0.29331139 5.67572889 1.5785089 0.66831684 2.6151427 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23049-93-6 31635 170466236 A A Enfenamic acid O=C(O)c2ccccc2NCCc1ccccc1 Tox21_113941 -NCGC00253586-01 196717959 tox21-ror-cho-viability-p1 set2 4 -2.19290076 0.87084134 -2.72276378 -1.3937897 0.48330188 2.13385958 -0.1247823 -1.51025039 -3.9853179 -5.08369884 -6.43826167 -6.39638271 -5.0102341 -6.55263509 -5.01480383 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5579-81-7 16683101 170465491 F Ac Isalon O=C(N)NC1N=C(O[Al](O)O)NC1=O Tox21_113724 -NCGC00166088-02 196697858 tox21-ror-cho-viability-p1 set1 4 -0.49263099 4.14241731 -4.94215231 -1.40833453 -0.27293784 0.7767556 0.14572276 -0.16760985 1.40551764 -3.4219195 -5.64427042 -3.46214774 1.00361575 -0.52698454 4.82095833 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2353-33-5 451668 170465126 A Decitabine NC1=NC(=O)N(C=N1)[C@H]2C[C@H](O)[C@@H](CO)O2 Tox21_112311_1 -NCGC00255735-01 196700730 tox21-ror-cho-viability-p1 set1 4 -0.1361065 1.05857887 0.87094213 0.38343371 0.99367047 1.70658599 -0.46414869 1.58634312 1.81000394 -7.9230532 0.82184696 -0.7706371 0.18017689 0.98482816 4.3015213 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2595-54-2 17434 144212322 A A Mecarbam CCOP(=S)(OCC)SCC(=O)N(C)C(=O)OCC Tox21_302005 -NCGC00159349-05 196698270 tox21-ror-cho-viability-p1 set1 4 -3.48424602 -6.61186131 -1.61547587 1.60160824 3.79292307 -4.02036922 0.23779225 -5.83862086 -2.18289076 -3.67174669 3.63081341 -0.12746587 0.90582991 0.58570426 -7.73843648 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 797-63-7 13109 170465033 A Levonorgestrel O=C4CC[C@H]3C(CC[C@@H]2[C@@H]3CC[C@@]1(CC)[C@H]2CC[C@@]1(O)C#C)=C4 Tox21_111593_1 -NCGC00166243-03 196697855 tox21-ror-cho-viability-p1 set1 4 -0.66893371 0.65202024 -2.82786784 -0.60995454 -2.23006295 -0.83918815 -0.83324589 -3.64254381 -1.13302068 -5.13427432 1.80039719 -0.90613898 -2.76718167 -7.93057498 -0.94429873 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2440-22-4 17113 170466144 A 2-(2H-Benzotriazol-2-yl)-4-methylphenol Cc1cc(c(O)cc1)n2nc3ccccc3n2 Tox21_112369_1 -NCGC00024613-06 196698257 tox21-ror-cho-viability-p1 set1 4 1.41956687 3.12260271 4.89681996 -0.12767882 2.21712879 0.61161696 -0.67993199 5.31239931 1.38263056 1.83382027 0.91993801 3.15494451 0.28216442 5.84592227 2.42137178 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51411-04-2 2120 170466470 A Alrestatin O=C(O)CN3C(=O)c2cccc1cccc(c12)C3=O Tox21_110913_1 -NCGC00164556-02 196698273 tox21-ror-cho-viability-p1 set1 4 0.30811124 -1.18927488 0.99087413 -4.34843115 0.23014262 -2.65927157 -0.46385263 -3.55903103 -2.63260176 -1.28517478 -1.08599647 -1.67288035 -2.55423969 -0.70051111 0.80234361 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 13189-98-5 134669 170465764 Z Fudosteine OCCCSC[C@H](N)C(=O)O Tox21_112185_1 -NCGC00263918-03 196698274 tox21-ror-cho-viability-p1 set1 -2.2 26.6032120037 -65.0383764101 -2.113808109 -67.1521845191 1.78848746 0.9852684052 8E-9 -0.88068398 -0.76275216 -1.5871991 -0.84588131 0.26521403 -2.90164357 -4.10991203 -0.37546377 -1.0375488 -4.06873224 -5.71131246 -5.27928957 -11.44797512 -25.80532957 -50.87286706 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_45111 443939 170465451 D Epirubicin hydrochloride Cl.OCC(=O)[C@@]4(O)C[C@H](O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1)c5c(O)c3C(=O)c2c(OC)cccc2C(=O)c3c(O)c5C4 Tox21_110050_1 -NCGC00254072-01 196698675 tox21-ror-cho-viability-p1 set1 4 -1.04551021 4.51113862 1.01208106 -0.39201209 1.34438859 0.33027107 -0.33166685 1.20817096 1.83797859 1.74763199 3.1683122 0.98739795 1.80943082 -1.07170594 2.38970771 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 532-32-1 517055 144210445 A A Sodium benzoate [Na+].[O-]C(=O)c1ccccc1 Tox21_300125 -NCGC00254346-01 196698679 tox21-ror-cho-viability-p1 set1 4 -0.96279558 2.77504593 1.07848101 -3.06966579 3.11579204 -0.81109736 1.02298859 -1.30158924 -1.61084582 0.28443514 0.47376293 1.79552174 0.71182708 0.9438743 -0.10569653 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-25-2 643820 144210860 D (2Z)-3,7-Dimethylocta-2,6-dien-1-ol C\C(C)=C\CCC(/C)=C\CO Tox21_300542 -NCGC00254107-01 196698680 tox21-ror-cho-viability-p1 set1 -1.1 5.3929082803 -97.9032606585 1.6505321669 -96.2527284916 0.7999999999 0.9892226732 1.3E-9 0.50467274 0.03484174 -2.05660477 3.16424527 0.18665728 -3.27237126 -1.39232915 -2.21576168 -16.15269288 -27.93078189 -44.42426055 -49.2465552 -67.44446626 -85.33043306 -85.21874577 1.1699999999E-9 2.6159999999E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.539E-8 1.462E-7 3.269E-7 7.311E-7 0.000001635 0.0000036549999999 0.000008173 0.00001828 0.000040869999999 0.00009138 3811-73-2 19658 144210448 F Sodium (2-pyridylthio)-N-oxide [Na+].[O-][n+]1ccccc1[S-] Tox21_300128 -NCGC00254172-01 196698689 tox21-ror-cho-viability-p1 set1 4 0.0080152644 5.24358478 -5.24358478 0 1.21 0.3402808524 0.3490847383 -3.44600277 -7.28632065 -0.27218665 -3.64936906 0.44139857 -0.88293245 -3.66461131 4.05552594 1.3609739 -0.71520835 2.36828204 0.15378152 -3.63274173 -0.31631888 -5.48435008 1.109E-9 2.4799999999E-9 5.5449999999E-9 1.2399999999E-8 2.772E-8 6.199E-8 1.3859999999E-7 3.1E-7 6.931E-7 0.00000155 0.000003465 0.000007749 0.00001733 0.00003874 0.00008664 181640-09-5 60196402 144210548 A B SR144190 Cl.O=C(N3C[C@](CCN1CCC(NC(=O)N(C)C)(CC1)c2ccccc2)(OCC3)c4ccc(F)c(F)c4)c5ccccc5 Tox21_300228 -NCGC00090789-02 196699086 tox21-ror-cho-viability-p1 set1 4 43.2771256911 10.3360725761 0.6639274239 11 0.8999999999 0.526860408 0.1576132079 0.64328078 0.55859984 4.42742074 0.25603923 -4.03006048 -0.31578359 3.70171557 1.9933666 -0.06801421 3.27408386 0.28186129 1.17445982 4.86752503 5.64219055 7.74607165 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00260459-01 196711888 tox21-ror-cho-viability-p1 set2 -2.4 19.5673271669 -27.385187756 3.5 -23.885187756 4.9549173134 0.7862098227 0.0142964048 5.35998331 -5.98180915 7.66507271 6.75735986 7.51431782 4.93633552 -0.22558413 0.47366724 6.04385429 -1.15818253 3.05106444 6.51894417 -7.63792633 -23.65432313 -7.03240306 1.1919999999E-9 2.6659999999E-9 5.9609999999E-9 1.333E-8 2.98E-8 6.664E-8 1.49E-7 3.332E-7 7.451E-7 0.0000016659999999 0.000003726 0.0000083309999999 0.00001863 0.000041649999999 0.000093139999999 3331-46-2 95717 144210111 A A 9,10-Dihydrobenzo[a]pyren-7(8H)-one O=C5CCCc1c5cc2ccc4cccc3ccc1c2c34 Tox21_202913 -NCGC00260594-01 196711470 tox21-ror-cho-viability-p1 set2 -1.2 1.333319023 -26.391540416 -4.82553802 -31.217078436 2.4063783767 0.7202264432 0.0371554006 -3.38171611 -1.133114 -10.78209872 -5.26226238 -4.63793375 -3.32392553 -5.48502395 -4.21465698 -8.4513596 -8.5171085 -21.60769349 -45.7911262 -34.57326146 -14.35579278 5.78425246 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49490 144210247 M M NTP Mix38 CT1 2-EQP Tox21_203049 -NCGC00260577-01 196711472 tox21-ror-cho-viability-p1 set2 4 -4.54212079 -5.54306553 0 -9.21714188 -8.38747708 -11.12102434 -24.37239946 0 -8.97949612 0 -3.09380675 0 -25.26811096 -15.37117562 -20.45826183 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49473 144210230 M M NTP Mix54 CT1 3-EQP Tox21_203032 -NCGC00260138-01 196711884 tox21-ror-cho-viability-p1 set2 4 76.8023216542 -25.3190051719 -3 -28.3190051719 4.9549173134 0.6018944266 0.0956785226 -5.24422433 -1.51626939 -3.24153768 -10.47287208 0.09630976 0.23923182 -5.25142337 -5.00601235 -0.42042201 -0.83432152 0.02770314 -11.02795796 3.35010754 -3.06764191 -21.93250431 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 1121-92-2 14276 144209788 F F Heptamethyleneimine C1CCCCCCN1 Tox21_202590 -NCGC00260054-01 196711893 tox21-ror-cho-viability-p1 set2 2.4 30.2809291732 22.9294446839 -0.4294446839 22.5 4.5044702849 0.9339494844 0.0000382087 -0.7776476 -0.55754373 0.14164543 -4.10787057 -0.35124169 -0.16403686 -0.99490368 -0.01276744 1.53708076 -0.31314669 -2.85361403 0.74089548 0.77783884 2.90102692 19.60041755 5.97E-10 1.335E-9 2.9849999999E-9 6.675E-9 1.4919999999E-8 3.3369999999E-8 7.462E-8 1.669E-7 3.7309999999E-7 8.343E-7 0.000001866 0.0000041719999999 0.000009328 0.00002086 0.00004664 53-70-3 5889 144209703 F A Dibenz(a,h)anthracene c1c4c5ccccc5ccc4cc3c1ccc2ccccc23 Tox21_202505 -NCGC00259956-01 196711894 tox21-ror-cho-viability-p1 set2 4 -11.94968498 -6.90851331 -6.43499919 -18.98105867 -10.08570799 0 -10.13911281 -13.00853921 0 -4.93000741 -27.63674012 0 0 -0.80979392 -1.16389536 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.551E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.000003662 0.0000081889999999 0.00001831 0.00004095 0.00009156 56-53-1 448537 144209605 A A Diethylstilbestrol Oc1ccc(cc1)C(\CC)=C(/CC)c2ccc(O)cc2 Tox21_202407 -NCGC00260367-01 196712303 tox21-ror-cho-viability-p1 set2 4 -3.78670731 -5.82267224 -3.89899319 -9.46342593 -4.20863879 -4.4432456 0 -18.2871525 -11.36267935 -0.25522152 -41.47757383 -12.7411028 0 -2.83901307 -25.48058004 1.194E-9 2.671E-9 5.972E-9 1.335E-8 2.986E-8 6.677E-8 1.493E-7 3.3389999999E-7 7.465E-7 0.000001669 0.000003733 0.000008347 0.00001866 0.000041729999999 0.00009332 326-06-7 67589 144210019 Z Z 4,4,4-Trifluoro-1-phenyl-1,3-butanedione O=C(CC(=O)C(F)(F)F)c1ccccc1 Tox21_202821 -NCGC00260637-01 196712308 tox21-ror-cho-viability-p1 set2 4 14.9600854925 -29.780980372 -2.5 -32.280980372 0.8999999999 0.5080121459 0.1877283287 0.92577961 -0.37226284 0.06036229 -1.40730336 0.52203672 -1.04399152 -9.08962689 -13.96180789 -9.44866901 1.6069126 -10.69303861 -0.98224172 -12.52282911 -25.23415031 3.04776447 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49533 144210290 M M NTP Mix113 ER1 10-EQC Tox21_203092 -NCGC00259177-01 196706512 tox21-ror-cho-viability-p1 set1 4 0.694274967 5.1723007599 -5.6723007599 -0.5 4.9549173134 0.3622628233 0.3095158185 -3.75764115 -6.40637883 -9.06194787 -13.4769173 2.51427756 -4.38363582 -3.93869163 -7.3426358 -2.23380498 -0.91025613 1.85176003 0.60865318 -1.84488121 -1.69509475 -1.55152224 1.1919999999E-9 2.6649999999E-9 5.959E-9 1.332E-8 2.98E-8 6.662E-8 1.49E-7 3.331E-7 7.449E-7 0.0000016659999999 0.000003724 0.0000083279999999 0.00001862 0.00004164 0.00009311 628-63-7 12348 144208826 AC Pentyl acetate CC(=O)OCCCCC Tox21_201628 -NCGC00090789-02 196706100 tox21-ror-cho-viability-p1 set1 4 21.6899429044 14.8711997799 -5.8711997799 9 0.4 0.6031750201 0.0955205938 -10.30933315 -5.81471894 -0.81173704 -5.22878234 -2.92536472 -0.8588087 -7.04248289 -5.06603139 -4.23583449 0 -1.84319076 0.55152837 1.10630315 0.18962843 5.94245365 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00259473-01 196706105 tox21-ror-cho-viability-p1 set1 4 -7.22352792 1.31525105 -11.17018036 -8.04411321 2.96249569 -0.2958657 4.31220307 -0.4083291 2.25926992 -7.42196117 -11.9999942 -9.85475567 -2.37375168 -1.03869321 -8.27304257 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.2869999999E-7 7.351E-7 0.0000016439999999 0.0000036749999999 0.000008218 0.000018379999999 0.00004109 0.00009188 67-20-9 4509 144209122 A A Nitrofurantoin O=[N+]([O-])c2ccc(/C=N/N1CC(=O)NC1=O)o2 Tox21_201924 -NCGC00259197-01 196706511 tox21-ror-cho-viability-p1 set1 4 -2.87986642 0.46600877 -1.80341695 0.50468921 0.51869223 0.82017578 -3.74989825 -1.94826618 -1.15994885 0 -0.15601248 -1.22315486 4.09516453 0.22363315 -4.63556865 1.16E-9 2.5929999999E-9 5.799E-9 1.297E-8 2.9E-8 6.4839999999E-8 1.45E-7 3.2419999999E-7 7.2489999999E-7 0.000001621 0.000003625 0.000008105 0.00001812 0.00004052 0.00009061 126-86-3 31362 144208846 A A 2,4,7,9-Tetramethyl-5-decyne-4,7-diol CC(O)(C#CC(C)(O)CC(C)C)CC(C)C Tox21_201648 -NCGC00259965-01 196706513 tox21-ror-cho-viability-p1 set1 4 0.52622389 0.14849874 0.56305182 2.47840367 4.72378403 2.88562754 0.90676497 1.54958122 -9.86632682 5.59180383 -8.45483031 0.17574775 0.62000729 -1.009158 -9.27506084 1.1699999999E-9 2.617E-9 5.851E-9 1.3079999999E-8 2.925E-8 6.5409999999E-8 1.463E-7 3.271E-7 7.314E-7 0.000001635 0.000003657 0.000008177 0.00001828 0.00004088 0.00009142 90-94-8 7031 144209614 A A Michler's ketone CN(C)c1ccc(cc1)C(=O)c2ccc(cc2)N(C)C Tox21_202416 -NCGC00025216-03 196705098 tox21-ror-cho-viability-p1 set1 4 0.88773283 1.46913568 -1.89071611 -8.61938991 -5.76469599 0.21933347 0.28706778 4.80927152 0.31929789 -1.5894737 3.93709556 1.26436653 -1.74305542 -0.42885849 -6.11968129 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112192-04-8 219050 170466119 A Roxindole Oc3ccc4ncc(CCCCN1CC=C(CC1)c2ccccc2)c4c3 Tox21_110955_1 -NCGC00090965-04 196704692 tox21-ror-cho-viability-p1 set1 4 4.55711589 2.95839113 1.31376937 0.95207373 -0.10301141 4.62866739 2.25223353 1.22998512 -2.63322217 0.19681943 4.32814293 2.34161109 0.80134034 0.59160975 0.4696405 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00090776-02 196704695 tox21-ror-cho-viability-p1 set1 4 -0.50926995 0.99626843 0.78848987 -0.66772448 1.26928467 -2.24328149 -1.31261308 -0.80756093 0.94935779 0.94977535 1.91297443 -1.0173095 0.9304891 1.6267321 2.7833212 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00160665-02 196704700 tox21-ror-cho-viability-p1 set1 -2.1 26.6032120037 -90.7387592914 2.4598250994 -88.278934192 4.9549173134 0.9894179082 1.2E-9 8.07105285 0.37093444 4.94022479 0.62354276 0.78505318 4.70264259 -0.15699388 1.43784311 2.84771448 3.26854222 -0.47174988 2.40988032 0.31596571 -17.08132601 -82.73244516 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33743-96-3 36303 170466529 B Proroxan O=C(CCN1CCC(C1)c2ccccc2)c3ccc4OCCOc4c3 Tox21_111970_1 -NCGC00090721-03 196705105 tox21-ror-cho-viability-p1 set1 4 1.57631545 0.27520224 -0.15892795 0.38842972 0.2551744 3.61614648 -2.24594372 -0.40695217 3.43110052 1.93854835 0.25266751 0.17441283 2.45691904 1.83262994 -3.6038719 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00090774-05 196705116 tox21-ror-cho-viability-p1 set1 -2.1 5.3080386368 -68.9971883983 1.5446327639 -67.4525556344 1.21 0.9825162421 2.18E-8 1.25120595 0.59002948 2.46840294 -0.16205459 -0.42216359 1.22487389 0.0982795 0.39403123 -1.10032304 0.25160372 -10.69347318 -30.99287011 -46.63032895 -48.57979796 -62.08526942 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55981-09-4 41684 170465090 A Nitazoxanide O=C(Nc1ncc(s1)[N+]([O-])=O)c2ccccc2OC(C)=O Tox21_111018_1 -NCGC00179685-03 196705531 tox21-ror-cho-viability-p1 set1 4 2.75761488 6.27098999 2.73687833 0.78737691 0.07228729 0.26829579 1.44665739 4.15078168 0.06511821 -0.17196416 1.36881184 5.3140116 2.57922496 2.16141188 6.27609984 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 338-98-7 224246 170465628 A Isoflupredone acetate CC(=O)OCC(=O)[C@@]4(O)CC[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_110437_1 -NCGC00090910-03 196705941 tox21-ror-cho-viability-p1 set1 4 0.0050887777 -8.3224330121 9.5 1.1775669879 4.9549173134 0.8320697177 0.0038488484 8.44435564 10.33826967 3.0588412 -1.10202751 3.56144422 -0.63567937 0.01479367 1.68113594 1.286265 3.08410721 0.16087409 0.6844805 0.67960073 1.6762686 1.15298647 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00357019-01 196703049 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -33.40566024 -2 -35.40566024 4.9549173134 0.8832366751 0.0006936214 2.47441433 -5.57588206 -1.29759702 -3.89508101 -3.70132788 -4.04262317 1.77936558 -3.57059215 -3.34291503 0.2098866 -2.88736627 -2.47953816 2.74407411 -4.52553996 -29.0880502 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63134-33-8 14178379 251919990 A BPS-MPE4 Oc1ccccc1S(=O)(=O)c3ccc(OCc2ccccc2)cc3 Tox21_304051 -NCGC00163953-03 196702640 tox21-ror-cho-viability-p1 set1 4 40.8964459334 -32.71513192 -1 -33.71513192 0.6999999999 0.6320822368 0.0750301018 -5.50861412 5.88591208 0.79705849 -5.23471755 -0.49421624 -1.22771355 -10.50839819 -2.09841037 7.40289397 -3.3055685 -9.53585818 -14.93277629 -13.01882077 -10.71266085 -26.4292766 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00091586-02 196702641 tox21-ror-cho-viability-p1 set1 4 0.0163045456 -7.571517904 0 -7.571517904 1.8616924601 0.6473764891 0.0664445488 -2.75456693 2.33177465 0.42421247 -4.46335764 -5.00729452 -5.16388007 -10.47626492 -6.16676658 -5.23583084 -5.8760611 -7.89951296 -9.2069711 -10.41098497 -4.24402928 -10.23231367 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00258016-01 196702645 tox21-ror-cho-viability-p1 set1 4 -2.19912156 -0.46951215 1.06038584 -0.57170919 -3.15903186 -1.34109709 -1.60796702 -1.66181284 -2.75753413 1.1814786 -3.38873213 -1.12103671 1.90870916 -0.3891419 1.9494953 1.182E-9 2.6429999999E-9 5.91E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.304E-7 7.387E-7 0.0000016519999999 0.0000036939999999 0.000008259 0.000018469999999 0.000041299999999 0.00009234 6938-94-9 23368 144207660 B A Diisopropyl adipate CC(C)OC(=O)CCCCC(=O)OC(C)C Tox21_200462 -NCGC00260287-01 196703468 tox21-ror-cho-viability-p1 set1 4 0.5188587274 15.7216368479 -3.7216368479 12 0.2 0.3986234592 0.2750580163 -2.55375701 -3.10136404 -0.10037226 1.55529599 4.45861439 -1.91876705 3.22255637 -1.62251655 3.99459783 -1.66114482 8.39896209 0.15061868 2.56687763 7.56821212 6.90311204 6.371E-11 1.424E-10 3.185E-10 7.122E-10 1.593E-9 3.5609999999E-9 7.963E-9 1.781E-8 3.982E-8 8.903E-8 1.991E-7 4.452E-7 9.9539999999E-7 0.000002226 0.000004977 112-88-9 8217 144209937 Fns 1-Octadecene CCCCCCCCCCCCCCCCC=C Tox21_202739 -NCGC00260070-01 196703461 tox21-ror-cho-viability-p1 set1 -1.1 5.4482673282 -103.8098379455 -3.0819135393 -106.8917514848 1.21 0.97389636 2.195E-7 -11.47633981 0.53444143 0.35770758 2.4462038 2.64454168 -2.44371689 -0.519706 -21.41764682 -16.31109027 -23.60383349 -36.93187789 -68.70943999 -96.36318265 -95.9163832 -100.08590963 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 2437-29-8 2724411 144209719 D Malachite green oxalate C/[N+](C)=C1\C=C/C(C=C1)=C(/c2ccccc2)c3ccc(cc3)N(C)C.[O-]C(=O)C(=O)O.[O-]C(=O)C(=O)O.O=C(O)C(=O)O.CN(C)c1ccc(cc1)C(\c2ccccc2)=C3/C=C/C(C=C3)=[N+](/C)C Tox21_202521 -NCGC00260568-01 196703464 tox21-ror-cho-viability-p1 set1 4 33.4914596268 14.5548743639 -1.5548743639 13 4.9549173134 0.5379895415 0.1463628022 -4.82895152 0.86237597 -2.6150845 0.19652325 -7.12906197 -0.32461384 2.88390802 1.32495872 0.1984519 0.73270867 -5.24289339 -0.05915423 -5.2036815 -1.22305221 10.76714219 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49464 144210221 M M NTP Mix76 CT1 62-EQP Tox21_203023 -NCGC00091483-03 196703469 tox21-ror-cho-viability-p1 set1 4 -5.23090369 1.42687472 -2.40019178 1.36024803 0.420689 -3.14905081 -2.59013321 -0.43651885 1.51991788 -3.51285196 -4.62701333 2.07420006 -0.58976051 -4.06526753 -4.55739291 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00259141-01 196703470 tox21-ror-cho-viability-p1 set1 -1.1 21.3375020771 -94.2306988944 1.543206679 -92.6874922154 4.9549173134 0.9843837691 1.13E-8 0.66335965 -0.4603438 1.05796717 8.68583936 -0.31698055 0.99677144 3.27601299 0.28178267 3.46859248 0.56844006 -8.89019087 7.66678964 -25.33933144 -87.85610701 -94.19460591 1.164E-9 2.602E-9 5.818E-9 1.301E-8 2.909E-8 6.5049999999E-8 1.4549999999E-7 3.252E-7 7.2729999999E-7 0.0000016259999999 0.000003636 0.000008131 0.00001818 0.000040659999999 0.00009091 143-50-0 299 144208790 A F Kepone O=C2C1(Cl)C3(Cl)C5(Cl)C1(Cl)C4(Cl)C2(Cl)C3(Cl)C4(Cl)C5(Cl)Cl Tox21_201592 -NCGC00260086-01 196703479 tox21-ror-cho-viability-p1 set1 4 0.79026468 -1.70193637 0.15299797 0.42241828 -4.11166245 -1.16093416 -3.3295313 -0.07410858 0.13416034 -4.6855369 2.68259445 1.99117471 -3.67330271 -2.52566368 0.2291869 6.1E-10 1.3639999999E-9 3.05E-9 6.8199999999E-9 1.5249999999E-8 3.4099999999E-8 7.625E-8 1.705E-7 3.8119999999E-7 8.525E-7 0.0000019059999999 0.0000042619999999 0.000009531 0.000021309999999 0.00004765 7681-38-1 516919 144209735 Sodium hydrogen sulfate [Na+].[O-]S(=O)(=O)O Tox21_202537 -NCGC00091253-05 196703872 tox21-ror-cho-viability-p1 set1 4 13.15080292 4.01277954 9.36535621 -0.26984884 0.0544813 1.51928184 11.84511973 3.63466529 4.62302722 -0.24285986 0.95999192 4.45024774 1.86293595 8.61751016 7.75131541 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00090827-04 196703881 tox21-ror-cho-viability-p1 set1 4 -0.00724927 -5.95407648 -6.43801423 -0.99732904 -5.66333286 -4.45327343 -5.2448059 0.15481046 -0.32747628 -4.8314591 -6.95155815 -4.41695823 -5.5287253 0.10724973 -5.69986097 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00090760-08 196700176 tox21-ror-cho-viability-p1 set1 -3 68.1713220381 -55.5309475257 1.1603114919 -54.3706360338 4.9549173134 0.9685108118 6.399E-7 2.93487611 -1.31753455 0.95896062 0.90275326 -1.19667438 4.05511045 -1.56413298 -0.08987272 -0.0827192 2.46606838 3.86090902 1.02554631 -1.95401486 0.03724968 -44.34177463 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00255037-01 196699738 tox21-ror-cho-viability-p1 set1 4 0.0015355304 12.406656256 -12.906656256 -0.5 4.9549173134 0.7041268627 0.0457572824 -10.75554688 -0.12126913 0.31247371 0.09946454 -1.15619242 0.28055568 -0.29439943 0.05621119 0.4315662 -2.07946511 -0.27438331 0.23282134 -0.13891231 -6.08204052 -6.31997594 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-21-3 2728 144211456 A A Chlorpropham Clc1cc(NC(=O)OC(C)C)ccc1 Tox21_301139 -NCGC00254313-01 196699740 tox21-ror-cho-viability-p1 set1 4 3.36223104 -0.72566369 -1.54943595 -3.26919288 -0.84755218 -1.20821749 0.01775381 0.53931535 -1.62315316 -1.25867555 4.92936799 0.33097514 -16.64897256 1.04269891 -0.47146814 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 599-79-1 5359476 144210859 A A Sulfasalazine O=S(=O)(Nc1ccccn1)c3ccc(/N=N/c2cc(C(=O)O)c(O)cc2)cc3 Tox21_300541 -NCGC00257183-01 196708158 tox21-ror-cho-viability-p1 set1 -1.2 19.3311819617 -44.26100056 1.0589151444 -43.2020854156 4.9549173134 0.9739887121 2.154E-7 0.80898883 1.85284971 0.79348573 1.02058781 0.7863151 0.18500015 1.31506984 5.22337657 5.0369469 -6.05121222 1.82955974 -0.08721692 -16.64426924 -43.59832054 -42.44290361 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13048-33-4 25644 144213485 A A 1,6-Hexanediol diacrylate C=CC(=O)OCCCCCCOC(=O)C=C Tox21_303168 -NCGC00257378-01 196708157 tox21-ror-cho-viability-p1 set1 4 -0.19557998 -0.70326671 1.39746236 1.52512554 0.30742342 3.13472519 4.191568 0.92754779 2.12017886 3.26206774 0.51291912 -1.73029988 0.89707284 1.08004532 0.74871995 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19248-13-6 87984 144213686 A A N-Ethyl-N-(3-methylphenyl)ethane-1,2-diamine CCN(CCN)c1cc(C)ccc1 Tox21_303371 -NCGC00091011-05 196708551 tox21-ror-cho-viability-p1 set2 2.1 48.5577336745 107.5254365763 -0.5767496325 106.9486869438 2.1210667061 0.9950309615 0 -1.33720828 -3.81699755 -0.70816982 -0.14838847 -1.04427083 0.30634873 0.46266218 0.49594778 -0.82377381 -0.07377894 -0.79428191 4.158691 14.87055433 41.11813736 86.1100539 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00357036-01 196704013 tox21-ror-cho-viability-p1 set1 4 -1.34620142 0.06191177 1.11311215 2.70686995 -1.28275654 -4.12050214 -5.86794666 0.83654904 1.50810371 -0.12991834 2.38941995 -2.39446514 -1.96065257 0.34580003 5.94071655 6.488E-11 1.451E-10 3.244E-10 7.2539999999E-10 1.622E-9 3.627E-9 8.1109999999E-9 1.814E-8 4.055E-8 9.0679999999E-8 2.028E-7 4.534E-7 0.000001014 0.0000022669999999 0.000005069 1719-58-0 519368 251919773 Fns Chloro(dimethyl)vinylsilane C=C[Si](C)(C)Cl Tox21_303724 -NCGC00260409-01 196704007 tox21-ror-cho-viability-p1 set1 4 -1.17242468 -1.53028691 -1.21843653 -1.8954874 -2.06826646 -2.16152534 -1.02414196 -1.33551765 -2.30595561 -1.95299839 -0.48527956 -0.56930308 -0.54404745 0.0235443 -1.93935207 1.175E-9 2.626E-9 5.873E-9 1.3129999999E-8 2.936E-8 6.566E-8 1.468E-7 3.2829999999E-7 7.341E-7 0.000001642 0.0000036709999999 0.000008208 0.00001835 0.00004104 0.00009176 6579-54-0 522183 144210061 F A 2,6-Dichlorobenzenesulfonylchloride O=S(Cl)(=O)c1c(Cl)cccc1Cl Tox21_202863 -NCGC00260207-01 196704010 tox21-ror-cho-viability-p1 set1 4 1.61522364 0.17142341 -1.15238986 0.27874491 2.36744592 1.71742051 1.69534149 7.38062881 -0.57191915 2.18638216 7.06755712 2.8761322 0.76677806 3.36206012 -0.8143851 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.629E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008287 0.00001853 0.000041429999999 0.00009265 216300-12-8 60196380 144209857 FNS 1-Methyl-3-propylimidazolium hexafluorophosphate C[n+]1ccn(CCC)c1.F[P-](F)(F)(F)(F)F Tox21_202659 -NCGC00357146-01 196704011 tox21-ror-cho-viability-p1 set1 -2.1 61.130564862 -106.8871060829 -0.250167334 -107.1372734169 4.9549173134 0.9797781562 5.06E-8 -1.56626971 2.52182102 -0.35555367 1.7561111 -12.09198969 0.21724338 -0.66988713 -1.60174528 2.10018244 0.8672168 0.53871064 1.75140387 1.57545029 -12.9486489 -94.97985232 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-75-8 66645 251919968 F 2,4-Dichlorobenzoyl chloride O=C(Cl)c1ccc(Cl)cc1Cl Tox21_303889 -NCGC00260408-01 196704015 tox21-ror-cho-viability-p1 set1 4 54.4826732819 -11.5530322359 0 -11.5530322359 3.5117481694 0.3830618779 0.2894793483 0.5334948 0.47943194 -3.57934551 0.21850539 -3.70892561 -5.8847785 7.14798547 -0.94472795 1.21180473 -1.06254153 -1.77694755 6.16328498 -0.4465185 -3.3481307 -10.04419353 1.18E-9 2.6389999999E-9 5.9009999999E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.000001649 0.000003688 0.0000082469999999 0.00001844 0.00004124 0.000092209999999 638-45-9 12527 144210060 F F Hexane,1-iodo- CCCCCCI Tox21_202862 -NCGC00260486-01 196704019 tox21-ror-cho-viability-p1 set1 4 -0.70911174 4.500619 5.35383326 7.22888367 5.98018013 0.73831902 -2.24458012 1.15083274 5.51294612 -0.08141339 -0.15379131 -2.92510052 4.62970398 4.80662278 5.76376654 1.224E-9 2.736E-9 6.118E-9 1.3679999999E-8 3.059E-8 6.841E-8 1.5299999999E-7 3.42E-7 7.648E-7 0.00000171 0.0000038239999999 0.000008551 0.00001912 0.000042749999999 0.000095599999999 670-54-2 12635 144210138 F Tetracyanoethylene N#C/C(C#N)=C(/C#N)C#N Tox21_202940 -NCGC00095165-07 196704423 tox21-ror-cho-viability-p1 set1 4 2.1131682429 6.1806682559 -2.1806682559 4 0.9999999999 0.408660575 0.2832469261 -0.5616128 -4.64740048 1.50840547 -6.40055688 0.13508487 -4.70647246 0.34243666 -4.79182181 0.10884982 -0.4119348 0.2386433 3.8711988 -0.19681062 4.90992617 0.31651922 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61422-45-5 2577 170465833 A Carmofur O=C1NC(=O)C(F)=CN1C(=O)NCCCCCC Tox21_111464_1 -NCGC00090858-02 196704425 tox21-ror-cho-viability-p1 set1 4 1.70915734 4.50953698 0.25988541 2.07528034 0.54463573 0.00355812 -0.82488229 -1.74335028 1.1769151 -0.71413888 0.71752452 2.8614437 2.06246674 1.62793761 2.26951521 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00246967-02 196704849 tox21-ror-cho-viability-p1 set1 4 2.25601586 1.55420497 0.96198402 -0.53200962 0.72654835 0.43543738 -0.02145506 3.0359584 -1.52044903 -8.13592065 -3.91525754 1.12308965 0.3056247 0.79718884 0.17786311 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2152-34-3 4723 170465421 A Pemoline NC1=NC(=O)C(O1)c2ccccc2 Tox21_112509_1 -NCGC00090987-03 196704851 tox21-ror-cho-viability-p1 set1 4 0.30656589 4.19857597 0.58745352 -0.36744149 -0.48644157 -0.47686235 1.96180977 5.05543852 -0.10040219 0.60937588 -0.01999158 2.56696796 0.3633641 -0.4188645 0.69112621 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00257382-01 196727456 tox21-ror-cho-viability-p1 set3 4 22.3837347482 -15.1616760239 1.5 -13.6616760239 3.5117481694 0.7865755151 0.0104613583 2.03441 4.02437204 4.74042658 3.94672219 0.7839429 1.18602048 -1.51485537 0.12249803 -0.83143216 4.49291563 0.67641916 -2.33240922 3.49074041 -13.88473002 -12.79361954 9.0839999999E-10 2.0309999999E-9 4.5419999999E-9 1.016E-8 2.271E-8 5.0779999999E-8 1.136E-7 2.539E-7 5.678E-7 0.00000127 0.000002839 0.0000063479999999 0.00001419 0.00003174 0.000070969999999 52806-53-8 91649 144213961 A A Hydroxyflutamide O=C(Nc1cc(c(cc1)[N+]([O-])=O)C(F)(F)F)C(C)(C)O Tox21_303659 -NCGC00256810-01 196727038 tox21-ror-cho-viability-p1 set3 4 -1.11423031 -5.83224596 -0.63320783 -2.00848792 -1.17278055 -2.18145651 -0.70466002 -0.62704165 -1.84313679 -0.5052306 3.1743152 -0.74668186 -0.76543089 0.66047577 3.55892655 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3092-17-9 18340 144213040 A A Midodrine hydrochloride Cl.COc1ccc(cc1C(O)CNC(=O)CN)OC Tox21_302723 -NCGC00256780-01 196727040 tox21-ror-cho-viability-p1 set3 4 -1.00604106 1.77478072 0.97678375 0.13733747 1.86403901 1.91729944 0.2254384 1.25116749 1.08878637 3.39443328 2.71816912 -0.31519791 2.40067069 0.48530303 1.70085894 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19322-27-1 4564493 144212858 Z Bc 4-Hydroxy-5-methyl-3-furanone CC=1OCC(=O)C=1O Tox21_302541 -NCGC00091351-03 196727048 tox21-ror-cho-viability-p1 set3 4 -4.08442338 0.79011206 -0.53281411 -5.65122656 -0.46238426 -0.32004301 1.79282542 1.3523012 1.05774011 1.5880806 0.37810807 0.4426591 1.68151047 0.25658725 1.30694133 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00256094-01 196700946 tox21-ror-cho-viability-p1 set1 4 8.6349217992 -20.3916117679 -2 -22.3916117679 0.3 0.4955054839 0.1826016874 -2.57301941 -1.79572189 -5.26418927 -10.19808744 -4.78453491 -6.50764292 0.39816056 -4.63358507 -15.8851755 -3.47152151 -16.12897719 -7.09658918 -17.82634314 -13.22673115 -16.70241289 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52298-44-9 104143 144211860 A A 4-Amino-2,5-dimethoxy-N-phenylbenzenesulfonamide O=S(=O)(Nc1ccccc1)c2cc(OC)c(N)cc2OC Tox21_301543 -NCGC00255925-01 196700935 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -15.96474726 3 -12.96474726 4.5044702849 0.5453327101 0.1401660632 3.61771931 2.69076422 0.09871436 3.5951381 7.80378997 0.26787542 0.22434279 7.6625253 -0.97754942 5.95726495 6.56275938 -0.60706721 1.36577396 1.53709504 -9.55395605 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 145-39-1 67350 144212255 A A 1-tert-Butyl-3,4,5-trimethyl-2,6-dinitrobenzene O=[N+]([O-])c1c(C)c(C)c(C)c(c1C(C)(C)C)[N+]([O-])=O Tox21_301938 -NCGC00255937-01 196700940 tox21-ror-cho-viability-p1 set1 4 -0.68908571 -6.16667825 2.14130025 0.82442097 0.19259871 0.63205596 0.64762827 1.60240642 -0.27858701 2.3023065 -0.85043055 0.14491224 1.18615894 0.75790224 1.20783851 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3567-62-2 19113 144212209 A A N-(3,4-Dichlorophenyl)-N'-methylurea Clc1ccc(NC(=O)NC)cc1Cl Tox21_301892 -NCGC00255186-01 196700942 tox21-ror-cho-viability-p1 set1 4 0.3063785869 -8.203376744 -1.5 -9.703376744 1.6266150999 0.5191688997 0.1619248095 -0.52514448 -0.90687019 -0.54237771 0.01710483 -5.94442329 -2.83853981 -1.60993554 -3.19097215 -14.93166085 -7.60360865 -6.61666848 -16.41948062 -12.71041867 -3.24692293 -7.22501531 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 29387-86-8 3032854 144211622 F Propylene glycol monobutyl ether CCC(O)OCCCC Tox21_301305 -NCGC00255206-01 196700950 tox21-ror-cho-viability-p1 set1 4 -7.30177845 -4.80450213 -0.61608344 1.95558547 3.80669355 3.77229572 -12.31270856 -6.80850978 0.0045471 -6.33564146 -3.21691063 -12.38588029 -0.38140606 -5.53332375 -17.80565 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-51-3 7094 144212421 A Fns Dicyclohexyl C1CC(CCC1)C2CCCCC2 Tox21_302104 -NCGC00255651-01 196700955 tox21-ror-cho-viability-p1 set1 4 9.14950792 0.19794988 -0.06157407 0.67720136 -1.46910964 1.5468067 0.54336846 0.01840115 1.89891162 8.91585622 -1.20647535 1.72206248 8.18830511 0.3135797 -2.90158952 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 113-52-0 8228 144211734 A A Imipramine hydrochloride Cl.CN(C)CCCN2c3ccccc3CCc1ccccc12 Tox21_301417 -NCGC00255471-01 196701356 tox21-ror-cho-viability-p1 set1 4 3.8570778872 -20.483713652 -1 -21.483713652 0.4 0.5804639576 0.1263388734 0.96800975 -1.42238315 -4.27950153 -5.76236601 -10.41011247 -5.3268034 1.45741301 -6.49016321 -8.99684081 -2.77101739 -13.87762212 -17.90309471 -15.56495692 -12.94025282 -8.10977065 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17040-19-6 28213 144211892 A A Demeton-S-methylsulphon O=S(=O)(CCSP(=O)(OC)OC)CC Tox21_301575 -NCGC00163125-06 196716708 tox21-ror-cho-viability-p1 set2 4 -0.79981876 -0.74976147 1.59182164 4.11354299 5.53679415 3.61669594 6.69488924 2.80728111 -0.13840078 -0.48379218 -1.56252102 5.13324095 3.11141499 1.98755078 0.42513892 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 145-13-1 8955 170465558 F Pregnenolone CC(=O)[C@H]4CC[C@@H]3[C@]4(C)CC[C@H]2[C@H]3CC=C1C[C@@H](O)CC[C@@]12C Tox21_112011_1 -NCGC00164077-02 196716710 tox21-ror-cho-viability-p1 set2 4 0.685896219 8.0593613119 -7.0593613119 1 2.7202212143 0.5678270389 0.1215354998 -1.64662184 -2.04415378 -16.29946776 -10.30772152 -4.36798521 -8.5039736 -6.51049986 -5.93529157 -2.49126752 0.06637062 2.62458573 1.53154986 0.28431014 2.08598092 -0.63321273 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00258721-01 196716280 tox21-ror-cho-viability-p1 set2 -2.4 53.9290828027 -26.9611952119 -1 -27.9611952119 1.8851180601 0.9606885699 0.0000022494 0.37828225 -1.29477995 -0.43419048 -0.31156121 -0.80056823 -0.08117189 -0.67963258 -1.29249262 -1.10832349 -3.17148193 -1.45581441 0.19416863 -6.13401716 -10.03750916 -20.80099601 1.1699999999E-9 2.617E-9 5.851E-9 1.3079999999E-8 2.925E-8 6.5409999999E-8 1.463E-7 3.271E-7 7.314E-7 0.000001635 0.000003657 0.000008177 0.00001828 0.00004088 0.00009142 835-11-0 70038 144208367 A A 2,2'-Dihydroxybenzophenone O=C(c1ccccc1O)c2ccccc2O Tox21_201169 -NCGC00164449-04 196716702 tox21-ror-cho-viability-p1 set2 4 4.8557733675 4.9559285879 -3.9559285879 1 4.9549173134 0.3087323262 0.3760845311 -2.07057751 -7.71150061 -1.77002368 -0.50687399 -1.84110312 -11.62994049 0.95680496 -3.09815901 -5.4465234 -6.84782933 -3.70087557 1.9548716 -0.14775673 1.63684086 -3.47908362 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00016367-08 196717111 tox21-ror-cho-viability-p1 set2 4 0.1333319023 8.5609581679 -7.5609581679 1 1.8079476909 0.5806932604 0.1115740969 -14.21746514 -4.41981554 -0.79917023 -11.03280821 -5.72250515 -11.3961431 -1.6445378 -5.29151285 1.48252403 -0.06503242 0.56539915 0.52222499 0.86606354 0.92217563 1.06224679 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 116-43-8 5315 170465721 A Succinylsulfathiazole O=S(=O)(Nc1nccs1)c2ccc(NC(=O)CCC(=O)O)cc2 Tox21_110400_1 -NCGC00159447-07 196717115 tox21-ror-cho-viability-p1 set2 4 0.03264494 3.40165923 -0.90339621 4.36158717 1.97885157 2.27767628 3.09478534 -1.56314112 -1.53613441 2.18158068 2.02757128 5.38775953 2.9139025 3.42498534 1.57216087 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2439-07-8 142766 170465482 F 8-Quinolinol Salicylic acid (1:1) O=C(O)c1ccccc1O.Oc1cccc2cccnc12 Tox21_110005_1 -NCGC00163298-02 196717122 tox21-ror-cho-viability-p1 set2 4 -0.21958931 0.7344237 0.38693948 1.13431948 -0.04178588 2.12824618 3.81784531 3.95668879 -0.64310123 -2.80176436 -3.41531825 -3.41213671 -3.50032374 -5.2213113 -0.07367883 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6493-06-7 57782 170466143 A (+/-)-Lisofylline CC(O)CCCCN2C(=O)c1n(C)cnc1N(C)C2=O Tox21_112043_1 -NCGC00092300-02 196717127 tox21-ror-cho-viability-p1 set2 4 -3.57059744 0.75082156 -2.27321159 0.24504464 1.16761167 -2.88496521 0.57957938 -3.64832456 1.58182343 -5.74074983 -0.12170782 -3.06576937 -2.37965429 0.92168571 -2.47386674 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 128312-51-6 6436135 170466361 A Cinalukast O=C(O)C(CC)(CC)CC(=O)Nc3cc(/C=C/c1nc(cs1)C2CCC2)ccc3 Tox21_111191_1 -NCGC00183871-04 196717128 tox21-ror-cho-viability-p1 set2 4 0.0007497804 13.5281189839 -12.5281189839 1 4.9549173134 0.8133365696 0.0061232772 -9.60676582 1.31460833 2.04993298 1.09730306 0.81172158 0.58039178 -0.6356 1.17544291 3.20940966 -0.76564806 1.93272879 1.29551871 -0.43233742 1.93657761 -1.48696859 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21312-10-7 65280 170466005 A N-Acetyl sulfamethoxazole Cc2cc(NS(=O)(=O)c1ccc(NC(C)=O)cc1)no2 Tox21_113591_1 -NCGC00091663-03 196717129 tox21-ror-cho-viability-p1 set2 4 19.3311819617 12 3 15 0.8999999999 0.6762608952 0.0607766184 2.20360148 2.84432417 1.05384527 4.45415858 1.85216853 4.33816559 5.27698007 3.12791081 2.67199132 2.55627864 7.91120828 2.46676917 10.06984708 12.29212509 5.33364767 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00091009-07 196717525 tox21-ror-cho-viability-p1 set2 4 -4.03168037 -2.13421684 -3.9890074 -4.25694679 -0.39313314 -2.29534847 0.21229697 1.37185805 -2.14005578 -4.36690389 -2.45859672 -2.2968508 -2.20347111 -0.40157284 -0.06531834 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-18-4 6010 170464631 A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_113162_1 -NCGC00262915-01 196717529 tox21-ror-cho-viability-p1 set2 4 3.41405629 3.03051926 1.81752049 0.33935085 2.25790687 2.04491632 -4.915983 0.42081459 -1.02218661 -1.04205597 -1.49311762 6.46796123 3.37638059 0.07994235 1.87111851 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 65847-85-0 72106 170466184 A A Morniflumate FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)OCCN3CCOCC3 Tox21_113913 -NCGC00166140-02 196723182 tox21-ror-cho-viability-p1 set3 4 0.26603212 -8.588674492 2.5 -6.088674492 4.9549173134 0.6711173237 0.0629913549 -0.1701407 -0.36252979 3.37088609 0.39674389 5.38333716 2.54095355 5.03700845 2.99012584 -5.74547854 -8.36322383 -10.07389541 -8.35220102 -5.40367869 1.36885132 9.71233931 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10049-83-9 82325 170465839 A Pyrithioxin dihydrochloride Cl.Cl.Oc1c(CO)c(cnc1C)CSSCc2cnc(C)c(O)c2CO Tox21_112335_1 -NCGC00015747-09 196722754 tox21-ror-cho-viability-p1 set3 4 0.2371013766 12.060998364 -5.060998364 7 4.9549173134 0.4790688544 0.2139501354 -5.96790299 0.80709628 -7.35149471 2.0983877 -4.37497275 -20.05083197 3.01180274 -5.82123729 10.24046605 8.68987938 13.57412906 4.67718056 2.70477282 2.37086201 -6.88559326 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55985-32-5 4474 170465173 A Nicardipine CC=2NC(C)=C(C(C=2C(=O)OCCN(C)Cc1ccccc1)c3cccc(c3)[N+]([O-])=O)C(=O)OC Tox21_110211_1 -NCGC00163953-03 196722768 tox21-ror-cho-viability-p1 set3 -3 61.130564862 -39.5198377408 -2 -41.5198377408 3.9294729864 0.9124709527 0.2797927474 0.19063726 1.56368095 -0.76514774 -1.38304701 -10.26228873 -23.60067957 -9.92263063 -23.57702174 1.5009578 0.24323953 2.53709738 1.08838251 -1.63174146 -9.307987 -34.86351344 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00095795-06 196723171 tox21-ror-cho-viability-p1 set3 4 -5.61831755 3.43511392 -7.98351995 -2.03030877 -8.37829552 -0.36318956 14.66308641 11.39742754 -14.30248492 11.0804942 -18.19965127 4.62311515 10.99718803 14.02279005 -7.3194909 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72-80-0 6301 170465701 F 5,7-Dichloro-8-hydroxy-2-methylquinoline Oc1c(Cl)cc(Cl)c2ccc(C)nc12 Tox21_113490_1 -NCGC00018271-07 196723576 tox21-ror-cho-viability-p1 set3 4 37.5780357627 19.6040873599 -1.6040873599 18 4.9549173134 0.5859653809 0.107491177 -4.54387787 1.82872909 -3.14303379 -3.9329179 0 -0.86976719 0 0 5.18006475 0.33724783 1.91856981 -3.88942593 -7.1700728 -6.69557767 15.56236301 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 848-53-3 3627 170465786 A Homochlorcyclizine Clc1ccc(cc1)C(c2ccccc2)N3CCCN(C)CC3 Tox21_110855_1 -NCGC00262948-01 196723601 tox21-ror-cho-viability-p1 set3 4 7.05301453 1.41053324 0.13088042 6.40802052 3.99205765 3.32582737 1.8481469 -1.7907793 7.43412889 9.57235322 13.47487383 6.48504452 5.55458278 3.09721213 8.08126535 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23049-93-6 31635 170466236 A A Enfenamic acid O=C(O)c2ccccc2NCCc1ccccc1 Tox21_113941 -NCGC00357099-01 196723996 tox21-ror-cho-viability-p1 set3 4 0.003560911 14.1545938839 -13.6545938839 0.5 1.221561 0.6509557089 0.0639151549 -12.21216157 -8.03717085 -5.24588315 -2.93596006 1.15394397 -4.38148139 2.13453484 1.48595222 2.16446532 0.46423743 2.26227282 0.44067603 -0.03195992 -7.25230087 4.38769336 1.003E-9 2.242E-9 5.014E-9 1.1209999999E-8 2.507E-8 5.6059999999E-8 1.253E-7 2.803E-7 6.267E-7 0.000001401 0.0000031339999999 0.0000070069999999 0.00001567 0.000035039999999 0.00007834 5103-71-9 12303038 251919738 Fns cis-Chlordane ClC2=C(Cl)[C@]3(Cl)[C@H]1C[C@H](Cl)[C@H](Cl)[C@H]1[C@@]2(Cl)C3(Cl)Cl Tox21_303821 -NCGC00260572-01 196724014 tox21-ror-cho-viability-p1 set3 4 0.0016785492 12.532531816 -13.532531816 -1 1.372261 0.5291675879 0.1538107244 -10.86044318 -9.57786129 -2.15246808 -6.2808232 -0.33931068 0.69972604 0.75931886 -1.77600843 0.20788991 0.9994036 -0.77847725 2.16629568 -9.78636585 -1.23114022 0.26164867 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49468 144210225 M M NTP Mix80 CT1 62-EQP Tox21_203027 -NCGC00357146-01 196724015 tox21-ror-cho-viability-p1 set3 4 -4.62724903 -2.20231134 -9.69202712 -0.40391007 -3.14954816 -0.06039838 -2.48838037 -7.05191575 3.5417702 0.15604729 -7.48314801 -1.65640759 0.02189369 -2.53677684 -2.78851786 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-75-8 66645 251919968 F 2,4-Dichlorobenzoyl chloride O=C(Cl)c1ccc(Cl)cc1Cl Tox21_303889 -NCGC00090680-06 196697854 tox21-ror-cho-viability-p1 set1 4 -0.05719026 2.96619296 3.30858332 1.10545041 -0.25204545 0.09071577 1.50099368 8.08031098 2.03859229 2.08380359 5.43572681 3.12435377 2.97394173 1.19658192 1.29349753 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63-25-2 6129 170465695 D Carbaryl CNC(=O)Oc2cccc1ccccc12 Tox21_110994_1 -NCGC00259182-01 196721565 tox21-ror-cho-viability-p1 set3 4 -10.1076438 -10.69555906 1.68732487 -13.17447875 -5.6190709 -18.52654132 -17.69878439 0.2332329 0.31256339 -6.13178824 -0.14086228 -13.95811715 -7.84030333 -5.99863795 -4.12080499 1.1699999999E-9 2.6159999999E-9 5.851E-9 1.3079999999E-8 2.925E-8 6.5409999999E-8 1.463E-7 3.271E-7 7.3129999999E-7 0.000001635 0.000003657 0.000008176 0.00001828 0.00004088 0.00009141 83-88-5 493570 144208831 A D Riboflavin OC[C@@H](O)[C@@H](O)[C@@H](O)CN2C3=NC(=O)NC(=O)C3=Nc1cc(C)c(C)cc12 Tox21_201633 -NCGC00259565-01 196721169 tox21-ror-cho-viability-p1 set3 4 30.4198882708 10.4631506719 -3.4631506719 7 4.9549173134 0.5808109994 0.1118554338 -5.82325725 -3.32699856 5.18100504 -3.57182799 -2.58252456 -4.54907856 -3.35209893 -3.72139727 -4.58066109 -1.92466289 -8.30262556 -3.30365674 -4.00607401 5.1409165 6.90717124 1.173E-9 2.624E-9 5.867E-9 1.312E-8 2.934E-8 6.56E-8 1.4669999999E-7 3.28E-7 7.334E-7 0.0000016399999999 0.000003667 0.0000082 0.00001834 0.000041 0.00009168 1300-72-7 23668192 144209214 A A Sodium xylenesulfonate [Na+].Cc1ccc(cc1C)S(=O)([O-])=O Tox21_202016 -NCGC00255650-01 196710635 tox21-ror-cho-viability-p1 set2 4 68.5896218971 11.304137088 -1.304137088 10 4.5044702849 0.7342512955 0.0254324766 1.50880641 -2.64957989 -0.21405687 0.23604651 -3.17011424 -2.30706232 -1.99729565 -1.87194183 -1.3582774 -2.47971832 0.03909411 0.55032134 -1.10251258 -0.34358311 7.48781932 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5251-93-4 21322 144212200 A A Benzadox O=C(NOCC(=O)O)c1ccccc1 Tox21_301883 -NCGC00256182-01 196709820 tox21-ror-cho-viability-p1 set2 4 48.5577336745 -15.224070492 0.5 -14.724070492 3.1319983358 0.8709788905 0.0011384175 2.8555294 -1.01965336 -1.17054917 -2.30994513 -0.61996095 0.36589598 1.55826247 1.38925835 -0.38473099 1.55058868 1.07566428 1.9191446 0.7010291 -5.35138721 -12.68672541 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-99-5 7212 144211866 A D 2,4-Dichloro-1-(chloromethyl)benzene ClCc1ccc(Cl)cc1Cl Tox21_301549 -NCGC00255490-01 196709823 tox21-ror-cho-viability-p1 set2 4 -0.35674063 -5.07583312 -3.57954487 -1.76368535 -7.03392949 -2.28105482 -0.00015948 -8.36857045 1.053352 -1.94961137 -2.2307289 -0.92469761 -0.06717037 -0.3220225 0.22235732 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2050-46-6 74904 144212412 A D 1,2-Diethoxybenzene CCOc1ccccc1OCC Tox21_302095 -NCGC00168342-02 196710631 tox21-ror-cho-viability-p1 set2 4 -0.53675861 4.12279895 2.25023456 1.6401212 -0.94739282 -0.90346839 -0.00402746 3.40972557 -1.84228205 -1.41096299 -1.68840908 -1.06165107 3.84932968 2.95066718 2.03832432 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00255718-01 196710640 tox21-ror-cho-viability-p1 set2 4 -5.04537801 0.07287623 -1.51528821 -2.26551108 0.23784515 1.79740618 0.286989 1.72276667 0.90179334 0.32590768 0.03217452 0.83906068 2.68429597 2.85021796 4.89144787 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-69-6 7155 144211632 A A 1-(o-Tolyl)biguanide N=C(N)NC(=N)Nc1ccccc1C Tox21_301315 -NCGC00091775-03 196711046 tox21-ror-cho-viability-p1 set2 4 0.4855773367 -5.994090252 3.5 -2.494090252 1.0999999999 0.6092321603 0.1057938732 1.70937845 0.49882882 4.76803799 5.91597993 3.62180977 4.30793598 0.59604085 0.57794314 -0.81858407 2.12098559 -3.4529641 -4.99507521 -0.17674662 -2.64948899 0.44251758 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00091426-02 196711062 tox21-ror-cho-viability-p1 set2 4 -2.29315838 0.14847185 -2.31364441 0.14218678 -0.18918424 0.33395915 0.19976337 1.41313865 0.12001327 1.09132024 -0.22978096 -0.04136969 -0.31442378 0.4533528 1.87538701 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00259792-01 196705678 tox21-ror-cho-viability-p1 set1 4 -11.09176532 2.31889024 -7.2990197 -15.6215644 2.30883599 -1.266234 2.2608116 0.73368601 3.17949155 0 -0.42407752 -0.34544936 -13.39506283 -1.39175813 4.2910347 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.000041429999999 0.000092629999999 72-14-0 5340 144209441 A A Sulfathiazole O=S(=O)(Nc1nccs1)c2ccc(N)cc2 Tox21_202243 -NCGC00091380-04 196705273 tox21-ror-cho-viability-p1 set1 4 30.6378586933 9.6032507239 -3.6032507239 6 0.6 0.4517492329 0.2255414297 -3.24479894 -3.73396106 0.49871277 -5.51981315 -6.33604227 -5.74335585 -3.41127316 -2.56048486 1.20538494 1.30781404 -4.38103538 -2.80049723 0.89738869 1.19943365 3.90204781 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00091253-05 196705666 tox21-ror-cho-viability-p1 set1 4 0.1488803594 15.05860538 -13.55860538 1.5 0.5 0.7858804103 0.0106110289 -14.53370093 -8.25598392 -10.09975508 -14.63217115 -4.32134325 -9.58019978 -3.93630025 -8.16273361 -3.33453403 -1.26137711 -0.61375203 1.71885055 0.70034387 -0.59863712 0.1950203 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00259127-01 196705671 tox21-ror-cho-viability-p1 set1 4 -15.78980014 -12.46113955 -16.88291587 -19.31452847 -6.94857586 -12.04461819 -13.88108188 -16.58393439 -11.71288845 -18.91103833 -3.4410881 -18.4735563 -7.68026466 -4.51103756 -18.28825419 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.626E-8 1.482E-7 3.3129999999E-7 7.408E-7 0.000001656 0.000003704 0.000008282 0.00001852 0.000041409999999 0.000092599999999 2176-62-7 16584 144208776 Pentachloropyridine Clc1c(Cl)c(Cl)nc(Cl)c1Cl Tox21_201578 -NCGC00258848-01 196705686 tox21-ror-cho-viability-p1 set1 -3 69.7071642489 -52.2431838234 -5.2162197 -57.4594035234 4.9549173134 0.8594013641 0.0016702293 -12.03401301 -6.58103723 -9.06574721 -8.69730423 4.17854341 -3.02392004 -7.63152587 -2.064438 -1.16974787 -8.78832904 -11.78386365 -2.9944035 -3.61047448 -6.32461787 -47.98365359 1.196E-9 2.674E-9 5.9789999999E-9 1.337E-8 2.9899999999E-8 6.685E-8 1.4949999999E-7 3.3429999999E-7 7.4739999999E-7 0.000001671 0.000003737 0.000008357 0.00001869 0.000041779999999 0.00009343 72-54-8 6294 144208494 A A p,p'-DDD Clc1ccc(cc1)C(C(Cl)Cl)c2ccc(Cl)cc2 Tox21_201296 -NCGC00255186-01 196729140 tox21-ror-cho-viability-p1 set3 4 2.16423941 -0.47756665 1.23086339 -3.05048435 -1.2417203 1.23347606 -1.56556533 0.12587621 1.3481258 -1.77312904 0.05526901 -6.97946496 -4.56579362 -0.43008141 -0.10074779 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 29387-86-8 3032854 144211622 F Propylene glycol monobutyl ether CCC(O)OCCCC Tox21_301305 -NCGC00255283-01 196729124 tox21-ror-cho-viability-p1 set3 4 0.0432771257 -7.703005628 8 0.296994372 2.7202212143 0.5148199838 0.1659321191 0.24922034 6.4402905 15.43868861 11.13006405 4.27142021 2.69628663 1.38599515 -3.50250469 2.09722639 -1.05220719 -1.13178138 1.05860726 1.2049437 0.50172585 2.64286294 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 496-46-8 62347 144211709 F A Glycoluril O=C1NC2NC(=O)NC2N1 Tox21_301392 -NCGC00255664-01 196729142 tox21-ror-cho-viability-p1 set3 4 5.4482673282 5.62285146 -4.12285146 1.5 4.9549173134 0.3950927662 0.2785184018 -0.82985643 -3.22556718 -3.83634131 -1.81802483 0.55520401 -9.68570955 -2.97269669 -3.21603616 -5.01276545 -7.12859409 -7.44234391 4.52138564 1.77083094 -1.60787182 1.00870634 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27306-78-1 60196421 144212086 A F Silwet L77 C[Si](CCCOCCCCCCCCOC)(O[Si](C)(C)C)O[Si](C)(C)C Tox21_301769 -NCGC00255560-01 196729143 tox21-ror-cho-viability-p1 set3 4 1.7228934059 -2.8850559239 2.5 -0.3850559239 4.9549173134 0.3565247187 0.3368335711 0.73650388 2.63976966 5.50188712 2.8155128 3.00800104 -0.38039397 3.04177935 2.06635436 2.37758906 1.72369027 -4.90421327 0.50652386 0.47513796 1.32043889 0.6581947 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24801-88-5 90613 144212496 D 3-Isocyanatopropyltriethoxysilane CCO[Si](OCC)(OCC)CCC\N=C=O Tox21_302179 -NCGC00257747-01 196729547 tox21-ror-cho-viability-p1 set3 4 69.2877332643 -19.896737028 1 -18.896737028 4.9549173134 0.8095034671 0.0065446027 1.09799353 2.09936661 0.95942815 -0.60224976 2.58337849 0.93296264 3.82184225 1.17129995 -1.64054836 0.06755617 2.75819154 2.73974703 -3.83392089 2.05354847 -15.33061419 1.19E-9 2.6619999999E-9 5.951E-9 1.331E-8 2.976E-8 6.654E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.00000372 0.000008317 0.0000186 0.00004159 0.000092989999999 69669-44-9 23707968 144207391 FC Benzenesulfonic acid, C10-14-alkyl derivs., sodium salts [Na+].O=S([O-])(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_200193 -NCGC00258551-01 196702620 tox21-ror-cho-viability-p1 set1 4 -7.45238488 -1.79498513 -0.06040939 1.99140386 -10.00935555 -2.26221713 -0.89857781 -4.88324804 -2.92332111 -0.98437089 -5.39010911 -0.65410801 -0.94464115 0.84081797 0.37948252 1.16E-9 2.595E-9 5.802E-9 1.297E-8 2.901E-8 6.487E-8 1.45E-7 3.2429999999E-7 7.252E-7 0.000001622 0.0000036259999999 0.000008108 0.000018129999999 0.000040539999999 0.00009065 NOCAS_21988 31370 144208196 A B 1-Chloro-2-propanol, technical grade (~75% 1-chloro-2-propanol; ~25% 2-chloro-1-propanol) CC(O)CCl Tox21_200998 -NCGC00160537-04 196701780 tox21-ror-cho-viability-p1 set1 4 6.8636526 0.92942926 0.10165299 -0.13768351 4.66967119 5.81692753 -6.54990586 -5.94034512 -0.55402923 -0.68403912 3.98998233 0.54495904 0.8349549 -0.42687609 2.97743439 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00163818-04 196701789 tox21-ror-cho-viability-p1 set1 -2.4 2.0615943808 -26.6104980119 2.5 -24.1104980119 1.92824246 0.9317774061 0.0000448884 2.23201074 -0.57461548 0.2777053 3.28023847 3.03670369 2.65110298 5.20052382 1.91217828 -1.38043738 -11.48595868 -12.83066287 -28.42541501 -28.18091696 -22.81257525 -18.82293766 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00258215-01 196702613 tox21-ror-cho-viability-p1 set1 4 0.009649144 -26.1443655721 -2.7970533199 -28.941418892 0.2 0.4641358182 0.2284403007 -11.9142111 -15.00223437 -13.17416604 -16.23106314 -24.93836884 -17.35565624 -18.3627043 -17.66159902 -16.50880622 -21.48489977 -29.92770507 -17.16343848 -29.95118241 -22.95906261 -19.83747051 1.1759999999E-9 2.631E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.576E-8 1.471E-7 3.288E-7 7.3529999999E-7 0.0000016439999999 0.000003676 0.00000822 0.000018379999999 0.0000411 0.000091909999999 85-42-7 85689 144207859 A A Hexahydrophthalic anhydride O=C1OC(=O)C2CCCCC12 Tox21_200661 -NCGC00091011-05 196703012 tox21-ror-cho-viability-p1 set1 4 -1.72074451 -1.37413337 -0.22052095 -1.81885054 -2.01485794 -1.00272105 -1.77879123 0.1041399 -3.30548014 -3.77428883 -2.09042062 4.15637107 -0.09683255 0.10364532 -0.81134787 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00260483-01 196703020 tox21-ror-cho-viability-p1 set1 4 76.8023216542 -12.303846516 1 -11.303846516 4.9549173134 0.6833457819 0.0473938644 0.01966358 0.56720129 -0.74127428 3.34132235 -0.13468485 -0.4886025 1.08492959 0.95721897 -1.1426381 -0.09172088 4.42114413 0.57020352 0.89637501 0.76989634 -7.75320543 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 611-09-6 4669250 144210135 A A 5-Nitroisatin [O-][N+](=O)c1cc2c(cc1)NC(=O)C2=O Tox21_202937 -NCGC00257415-01 196718354 tox21-ror-cho-viability-p1 set2 4 1.37392356 0.79512304 -0.78169945 0.57661873 2.16923456 7.7385374 0.5488754 2.95425613 3.85439074 5.26304948 3.75058508 4.86772957 3.58795191 5.22430913 1.45477891 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 51580-86-0 23667638 144213737 F F Sodium dichloro-s-triazinetrione dihydrate [Na+].O.O.ClN1C([O-])=NC(=O)N(Cl)C1=O Tox21_303426 -NCGC00256605-01 196718355 tox21-ror-cho-viability-p1 set2 4 13.6854287769 -15.7060490079 -0.5 -16.2060490079 2.3331733767 0.9437171409 0.0000377203 -0.51433617 -0.04708696 -2.26890576 -0.33967939 -0.72363046 -2.58369359 -2.22950906 -0.58525986 -0.11395044 1.09622424 -0.56589041 -3.51447468 -12.17300309 -14.75504084 9.37748413 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 127-69-5 5344 144213168 A A Sulfisoxazole Cc2c(NS(=O)(=O)c1ccc(N)cc1)onc2C Tox21_302851 -NCGC00257142-01 196718360 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -10.2565948879 2.5 -7.7565948879 4.5044702849 0.468153323 0.2104493109 -0.20937891 -0.81308821 1.28400127 3.44457336 2.03660069 3.412081 1.14392703 5.62875734 0.86215729 6.00445107 6.37980941 0.69406896 1.03096402 1.53990337 -5.63049574 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 89-57-6 4075 144213442 D Fns 5-Aminosalicylic acid OC(=O)c1cc(N)ccc1O Tox21_303125 -NCGC00256454-01 196718361 tox21-ror-cho-viability-p1 set2 4 0.0786826 -0.27563462 0.40718008 2.62221156 1.0877857 -0.17684665 -0.86785677 0.98046072 0.5886031 -0.76030724 0.66594533 4.73466192 4.20098899 3.50388298 4.32187411 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 108-01-0 7902 144213161 Ac Dimethylaminoethanol CN(C)CCO Tox21_302844 -NCGC00257770-01 196715492 tox21-ror-cho-viability-p1 set2 4 -0.25006109 1.06072395 -1.41017169 -0.49101475 -1.0246114 -0.53330614 -0.04277887 -1.04055737 -0.93014435 -0.5158902 -0.93012175 0.18448333 -1.28476702 3.68198904 -0.15215329 1.162E-9 2.599E-9 5.811E-9 1.299E-8 2.905E-8 6.4969999999E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.000003632 0.000008121 0.00001816 0.0000406 0.00009079 108-18-9 7912 144207414 FNS Diisopropylamine CC(C)NC(C)C Tox21_200216 -NCGC00254024-01 196714647 tox21-ror-cho-viability-p1 set2 4 32.2965172522 -12.864497364 1 -11.864497364 0.5 0.521085975 0.1614714168 -0.06458415 0.64112502 -0.13015273 -0.06249088 1.29986287 0.7625887 2.01665449 1.09650158 0.23051076 -5.91659092 0.68298842 -4.13081385 -8.05053766 -0.16117688 -9.47041447 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 68-26-8 445354 144210607 FNS Retinol CC=1CCCC(C)(C)C=1/C=CC(\C)=C\C=C\C(\C)=C\CO Tox21_300287 -NCGC00090701-06 196715055 tox21-ror-cho-viability-p1 set2 4 -4.70211869 -3.10977736 -9.17393772 -7.55325597 -1.40704027 -4.69903151 -8.11381174 -7.69414408 -5.94864558 -8.53878087 -1.53221475 -7.49476175 -7.36999497 -6.20274705 -6.03600727 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00258214-01 196715491 tox21-ror-cho-viability-p1 set2 4 -0.30857741 -0.74856845 -2.99603709 -2.7418507 -2.80821312 -0.42372785 -2.15256018 -0.57631928 -0.0381868 -1.87099772 0.64930565 0.16031416 -0.16111547 0.65631943 5.43511452 1.2089999999E-9 2.7039999999E-9 6.047E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.0000189 0.00004225 0.00009448 75-57-0 6379 144207858 A Tetramethylammonium chloride [Cl-].C[N+](C)(C)C Tox21_200660 -NCGC00258714-01 196715901 tox21-ror-cho-viability-p1 set2 -2.4 30.3265518896 -23.487854736 1 -22.487854736 2.3031167061 0.9623836218 0.0000017506 2.79297626 3.35151977 0.13198501 0.3074921 1.65603257 -0.78354309 1.08214301 2.04146039 1.85842054 -0.63216687 0.3289528 1.55822317 -5.41609985 -13.17960148 -22.07321228 1.1699999999E-9 2.6159999999E-9 5.85E-9 1.3079999999E-8 2.925E-8 6.54E-8 1.462E-7 3.27E-7 7.3119999999E-7 0.000001635 0.000003656 0.000008176 0.00001828 0.00004088 0.00009141 1562-94-3 15277 144208360 A A 4-Azoxyanisole COc2ccc(\N=[N+](\[O-])c1ccc(OC)cc1)cc2 Tox21_201162 -NCGC00258039-01 196715902 tox21-ror-cho-viability-p1 set2 4 -0.73271633 2.38190891 1.41118455 1.87668 0.28224081 -2.25064795 -0.37250007 3.34278353 2.44277172 -0.2653556 1.30011561 -2.05256371 2.03291612 0.18943101 -4.60920381 1.204E-9 2.692E-9 6.02E-9 1.346E-8 3.01E-8 6.7309999999E-8 1.5049999999E-7 3.365E-7 7.5249999999E-7 0.000001683 0.000003763 0.000008413 0.000018809999999 0.000042069999999 0.00009406 86089-17-0 22833454 144207683 A Tridecylamine, branched and linear CCC(CCCCCCCN)CCC Tox21_200485 -NCGC00257949-01 196715907 tox21-ror-cho-viability-p1 set2 -2.4 69.9170377344 -35.2281228 -1.5 -36.7281228 4.4494702849 0.9339651842 0.0000379259 -1.81439866 -1.58002653 -2.79891964 -1.70822417 -2.00616883 2.01083431 -6.60368868 -2.83502733 0.90398528 -1.45753477 -0.38969158 -0.26801547 -1.21985662 -5.16588962 -29.356769 1.1989999999E-9 2.6819999999E-9 5.997E-9 1.3409999999E-8 2.999E-8 6.705E-8 1.4989999999E-7 3.352E-7 7.496E-7 0.000001676 0.000003748 0.000008381 0.000018739999999 0.00004191 0.00009371 120-62-7 8442 144207593 A A Piperonyl sulfoxide CCCCCCCCS(=O)C(C)Cc1ccc2OCOc2c1 Tox21_200395 -NCGC00258366-01 196716321 tox21-ror-cho-viability-p1 set2 4 4.22028342 2.38580954 0.1510389 2.93247857 4.37306593 3.89128923 0.01247552 1.89376372 4.17001434 4.32614013 2.83949105 3.90652708 3.96102054 4.25116784 1.71775474 1.197E-9 2.676E-9 5.983E-9 1.338E-8 2.992E-8 6.689E-8 1.496E-7 3.345E-7 7.479E-7 0.0000016719999999 0.00000374 0.0000083619999999 0.000018699999999 0.00004181 0.000093489999999 1002-69-3 13848 144208010 BC Fns 1-Chlorodecane CCCCCCCCCCCl Tox21_200812 -NCGC00262960-01 196716724 tox21-ror-cho-viability-p1 set2 4 1.01409459 1.18990678 -0.46267495 2.62941908 -3.2888295 0.89370465 -5.69532436 -0.30023894 4.05438136 3.04876963 2.01418743 2.13664666 0.41732415 0.82976274 -4.59722675 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 76738-96-0 20055397 170466824 A A Resocortol butyrate CCC(=O)[C@@]4(OC(=O)CCC)CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_113951 -NCGC00160622-04 196722366 tox21-ror-cho-viability-p1 set3 4 33.4914596268 20.655363276 2.344636724 23 4.4494702849 0.5485150721 0.136938478 8.49468961 5.57155146 1.66559813 3.57937791 7.01672836 -0.0778525 -0.88725906 -8.46280273 1.90252816 3.66296696 0.68187336 3.06030558 3.26380526 4.55581324 18.81756784 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 119-13-1 92094 144206758 ND D-delta-Tocopherol CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2cc(O)cc(C)c2O1 Tox21_111941_1 -NCGC00255009-01 196699100 tox21-ror-cho-viability-p1 set1 4 0.36852246 4.95815888 0.84111253 2.8095335 1.58929317 1.81153958 6.65204717 -2.20025813 3.14220192 -2.68940704 1.30119101 0.43328448 -2.81534785 -2.42203556 0.84345303 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 149979-41-9 6259842 144211426 A C Tepraloxydim CC/C(=N\OC\C=C\Cl)C=1C(=O)CC(CC=1O)C2CCOCC2 Tox21_301109 -NCGC00016009-19 196723186 tox21-ror-cho-viability-p1 set3 4 0.1883363179 9.7943416279 -1.7943416279 8 4.9549173134 0.5858914665 0.1073763605 2.22261013 -2.90777914 3.41298788 0.45659018 0.38171097 -1.85342341 -13.99528469 1.45752466 11.35759941 6.38158503 8.14544969 6.58557827 5.79025965 10.48140149 7.34051034 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1156-19-0 5503 170465136 A Tolazamide Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2 Tox21_110281_1 -NCGC00091533-10 196722360 tox21-ror-cho-viability-p1 set3 4 0.3349145963 -18.129859604 5 -13.129859604 4.9549173134 0.6673081066 0.0541615441 0.70525271 8.79750576 -3.63153951 13.45455099 3.30470493 11.35081022 -4.76983287 10.32426151 -5.59484588 -13.4618152 -12.86963636 -15.45007966 -1.29384902 -15.08918843 -20.94154967 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-63-6 5991 170464983 A Ethinylestradiol Oc3cc4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@@]1(O)C#C)c4cc3 Tox21_111147_1 -NCGC00027960-03 196722789 tox21-ror-cho-viability-p1 set3 4 0.0211316824 11.2140531199 -6.2140531199 5 0.7 0.3930675744 0.2786721002 -7.30365654 2.49064315 -13.9283776 2.15651086 0 0 0 0 5.82744471 6.35864315 8.77241177 4.08330912 -2.69838942 1.69646736 10.38510309 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21434-91-3 30627 170466225 A Capobenic acid COc1c(cc(cc1OC)C(=O)NCCCCCC(=O)O)OC Tox21_110972_1 -NCGC00015436-11 196723195 tox21-ror-cho-viability-p1 set3 1.2 0.3757803576 23.832515136 -10.832515136 13 3.9899729863 0.7657482698 0.0150921307 -16.11042928 -12.11545059 -1.20049969 -12.56643052 -7.20099815 -12.72543076 -9.87500439 -13.06879342 -0.50326109 18.94950211 19.43210835 -4.36435861 17.16775496 10.73660125 15.4978115 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69-23-8 3372 170465375 A Fluphenazine hydrochloride FC(F)(F)c2cc3N(CCCN1CCN(CCO)CC1)c4ccccc4Sc3cc2 Tox21_110146_1 -NCGC00167521-02 196723203 tox21-ror-cho-viability-p1 set3 4 8.20923896 5.15003728 -4.38454194 6.37270686 3.2169008 2.52532215 4.10691391 5.20876742 0.10892532 4.46486379 9.21147788 8.38615141 0.37439591 1.69343274 13.93673353 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 113712-98-4 636411 170465931 A Tenatoprazole Cc3c(OC)c(C)cnc3CS(=O)c1nc2nc(ccc2n1)OC Tox21_112518_1 -NCGC00167500-02 196723606 tox21-ror-cho-viability-p1 set3 4 0.5955717307 -8.094447604 -1 -9.094447604 1.4641 0.7338750749 0.0318317669 -1.61083861 -4.98025226 -2.46589309 -0.30543974 1.2037775 0.57448894 -1.40984997 -0.38679047 -3.35161147 -9.23900011 -4.72536246 -7.37039302 -10.91203967 -9.34644039 -0.11937556 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54350-48-0 5282375 170465372 F Etretinate Cc1c(C)c(/C=CC(\C)=C\C=C\C(\C)=C\C(=O)OCC)c(C)cc1OC Tox21_112501_1 -NCGC00260496-01 196724029 tox21-ror-cho-viability-p1 set3 4 -4.41966798 1.63738971 2.61420359 1.19094311 5.23152837 0.37769342 5.26408841 7.89555398 -3.00470327 0.56671852 -1.80395997 -0.39858194 -0.59891219 -0.7744481 2.06469233 1.212E-9 2.709E-9 6.0579999999E-9 1.3549999999E-8 3.029E-8 6.773E-8 1.514E-7 3.386E-7 7.5719999999E-7 0.000001693 0.000003786 0.0000084659999999 0.00001893 0.000042329999999 0.00009465 91-19-0 7045 144210148 A A Quinoxaline c1cccc2nccnc12 Tox21_202950 -NCGC00260472-01 196724042 tox21-ror-cho-viability-p1 set3 -1.1 14.0480734543 -97.0700914175 2.0010401222 -95.0690512953 2.7202212143 0.9670818013 8.203E-7 0.52454575 -1.56096633 3.8302417 7.39211206 -3.85476332 -0.98799476 5.84927527 0.08537153 -3.91311396 0.63626829 -0.50551651 0.29665715 -76.33727447 -87.73225222 -92.65989405 1.206E-9 2.697E-9 6.0309999999E-9 1.349E-8 3.016E-8 6.743E-8 1.5079999999E-7 3.371E-7 7.539E-7 0.0000016859999999 0.000003769 0.000008429 0.00001885 0.00004214 0.000094239999999 541-59-3 10935 144210124 Ac Maleimide O=C1C=CC(=O)N1 Tox21_202926 -NCGC00016794-13 196697872 tox21-ror-cho-viability-p1 set1 4 0.9445652 5.47448953 3.66833885 2.19962353 -0.05320821 1.15308165 -0.51848161 3.57006859 -0.45472369 1.17412344 1.82109019 4.8070281 2.17431537 0.41059391 3.47052425 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25812-30-0 3463 170464998 A Gemfibrozil O=C(O)C(C)(C)CCCOc1cc(C)ccc1C Tox21_110613_1 -NCGC00258889-01 196706912 tox21-ror-cho-viability-p1 set1 4 0.0487059136 8.8518932239 -9.3518932239 -0.5 4.9549173134 0.3651906454 0.3052112114 -13.4818009 -1.6014362 -12.66525079 -5.23415688 -14.45991102 2.28881816 2.22843149 -10.22477479 7.5697453 -1.88741417 3.53465215 0.31023104 -9.48024537 -1.12613053 0.85477867 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.613E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.00001848 0.00004133 0.00009242 120-51-4 2345 144208535 A A Benzyl benzoate O=C(OCc1ccccc1)c2ccccc2 Tox21_201337 -NCGC00259954-01 196706516 tox21-ror-cho-viability-p1 set1 4 0.0388455131 -7.721987752 8 0.278012248 0.9999999999 0.4169416058 0.2565509556 5.25596596 10.83348472 6.25434623 8.16142843 0.15979954 5.66647986 3.99102421 -0.44264047 -4.35165646 9.35716963 -2.75979634 -1.60231291 -1.30702528 0.3121745 2.01814993 1.187E-9 2.6549999999E-9 5.937E-9 1.3279999999E-8 2.968E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.421E-7 0.000001659 0.0000037109999999 0.000008297 0.00001855 0.00004149 0.00009276 77-92-9 311 144209603 A A Citric acid OC(=O)CC(O)(CC(O)=O)C(=O)O Tox21_202405 -NCGC00259331-01 196706518 tox21-ror-cho-viability-p1 set1 4 -1.06319431 -1.41930655 -2.4348855 6.1419445 -1.23408643 -2.14276094 0.53174083 -1.83329693 7.66183797 0 0.15414526 -6.26213901 0.57877222 -2.88433083 0.06814052 1.214E-9 2.715E-9 6.0709999999E-9 1.357E-8 3.035E-8 6.787E-8 1.518E-7 3.394E-7 7.588E-7 0.000001697 0.000003794 0.000008484 0.00001897 0.00004242 0.000094849999999 61-82-5 1639 144208980 A A Amitrole Nc1ncnn1 Tox21_201782 -NCGC00259702-01 196706519 tox21-ror-cho-viability-p1 set1 4 13.7550451573 -8.4141271 1.5 -6.9141271 4.9549173134 0.3676920299 0.3034123675 -11.17843925 0.30984284 3.20742031 4.91583906 3.88346341 -0.5850213 -0.77121085 0.36789247 6.31715555 0 5.62090214 3.8358325 -7.02423722 -8.41814018 -4.61968347 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.626E-8 1.482E-7 3.3129999999E-7 7.408E-7 0.000001656 0.000003704 0.000008282 0.00001852 0.000041409999999 0.000092599999999 136-40-3 8691 144209351 A A Phenazopyridine hydrochloride Cl.Nc2nc(N)ccc2/N=N/c1ccccc1 Tox21_202153 -NCGC00256579-01 196707328 tox21-ror-cho-viability-p1 set1 4 -6.85521366 -5.51478883 -2.4671912 -3.02088714 -2.18972938 -2.5841285 -6.30160852 -2.91094829 -2.786383 -1.54456237 -4.97965375 1.74505866 -0.38839385 -4.21499177 2.26715854 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 756-79-6 12958 144213346 A Dimethyl methylphosphonate CP(=O)(OC)OC Tox21_303029 -NCGC00256828-01 196707333 tox21-ror-cho-viability-p1 set1 4 -1.90818225 0.33617193 -1.30542807 -2.41144315 0.05500001 0.02572498 7.00654062 0.87902646 6.2677164 2.97720542 1.17530428 6.09410897 0.67508952 0.98281583 3.50967051 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135-79-5 67285 144213028 A Ac 6-(1-Methylethyl)quinoline CC(C)c1ccc2ncccc2c1 Tox21_302711 -NCGC00256912-01 196707753 tox21-ror-cho-viability-p1 set1 4 -0.12512583 1.98763223 4.32802695 2.87566732 -4.45816517 1.13962001 -0.1308746 -2.50481333 -0.05322233 -8.80721001 0.022646 -2.25983557 0.35882265 4.90192954 4.73732738 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22629-49-8 90818 144212807 A I Tridec-2-enenitrile CCCCCCCCCCC=CC#N Tox21_302490 -NCGC00257511-01 196707769 tox21-ror-cho-viability-p1 set1 4 0.0091912977 -8.3034993479 8 -0.3034993479 3.0654483358 0.6512634449 0.0639750388 5.75617898 8.31678716 8.80571697 1.64847643 -0.60872686 0.80067069 -1.74675762 5.32763212 0.09831011 0.16116042 0.29768993 1.06009829 -2.502282 -3.6168972 -4.41958279 1.026E-9 2.295E-9 5.132E-9 1.148E-8 2.5659999999E-8 5.7379999999E-8 1.283E-7 2.8689999999E-7 6.4149999999E-7 0.000001434 0.0000032069999999 0.0000071719999999 0.00001604 0.00003586 0.000080189999999 10161-33-8 25015 144213956 A A 17beta-Trenbolone O=C3C=C4CC[C@@H]1C(C=C[C@]2(C)[C@@H](O)CC[C@@H]12)=C4CC3 Tox21_303654 -NCGC00259672-01 196708608 tox21-ror-cho-viability-p1 set2 4 4.41266359 0.10330835 0.82922617 -1.40483704 -0.11364413 1.25198949 6.43731774 8.41005658 5.42968712 5.67417189 0.7133715 -1.56589518 4.67157804 6.58322138 0.68755385 1.167E-9 2.609E-9 5.835E-9 1.305E-8 2.917E-8 6.524E-8 1.459E-7 3.262E-7 7.294E-7 0.000001631 0.0000036469999999 0.0000081549999999 0.00001823 0.00004077 0.00009117 828-00-2 13232 144209321 D Dimethoxane O=C(C)OC1CC(C)OC(C)O1 Tox21_202123 -NCGC00257239-01 196708194 tox21-ror-cho-viability-p1 set1 4 -0.25736681 -3.00487785 0.53634232 0.41405789 -2.52851096 -1.88633695 -2.18566407 0.84474985 0.48611494 0.92122396 -7.12433339 -1.30811315 -1.52377077 -4.43843814 -3.80689952 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10081-67-1 82343 144213704 F Ac 4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline CC(C)(c1ccccc1)c2ccc(cc2)Nc3ccc(cc3)C(C)(C)c4ccccc4 Tox21_303392 -NCGC00163771-03 196708211 tox21-ror-cho-viability-p1 set1 4 6.1068403463 11.2693950279 -10.7693950279 0.5 4.9549173134 0.4149353177 0.2573318317 -14.15941952 1.17067407 -9.51785371 -10.58884422 -16.85383014 -11.09420219 -9.68817258 -21.05782919 -11.66649653 0.64162453 -16.05424216 -0.00804723 -0.92054252 -1.08404537 2.53030295 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.593E-8 1.474E-7 3.297E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008241 0.000018429999999 0.00004121 0.00009214 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00259505-01 196708606 tox21-ror-cho-viability-p1 set2 -2.1 27.7230805233 -85.7978201826 0.3524563009 -85.4453638817 1.752947691 0.9774052081 9.59E-8 -0.43587342 1.03121917 1.13302694 1.0853604 2.54941527 -1.54161535 2.7054724 2.49914824 0.65917298 0.03874723 -1.10195907 -19.07313139 -23.24505917 -56.29407573 -83.76996459 1.195E-9 2.672E-9 5.976E-9 1.336E-8 2.988E-8 6.6809999999E-8 1.494E-7 3.341E-7 7.47E-7 0.0000016699999999 0.000003735 0.000008352 0.00001867 0.000041759999999 0.00009337 97-00-7 6 144209154 A A 1-Chloro-2,4-dinitrobenzene O=[N+]([O-])c1cc(ccc1Cl)[N+]([O-])=O Tox21_201956 -NCGC00255636-01 196700573 tox21-ror-cho-viability-p1 set1 4 4.91329739 -0.13721558 -0.37275087 -0.84173284 3.05567158 2.66394454 0.1851149 1.02410803 0.48030156 7.5656124 -4.57927985 0.03311131 -0.32220588 6.5436356 0.04678662 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 565-62-8 5364579 144212674 F 3-Methyl-3-penten-2-one C\C=C(/C)C(C)=O Tox21_302357 -NCGC00255348-01 196700156 tox21-ror-cho-viability-p1 set1 4 68.5896218971 12.8417223519 -1.8417223519 11 4.0949729863 0.5545958046 0.1334780736 -4.54007346 -0.72419841 -0.90032652 0.16148235 -3.8121102 -2.17360321 -4.85707336 -0.93450192 -4.86810196 3.45818976 -2.78917383 -0.40207074 0.05253914 -0.4898756 7.96391984 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76824-35-6 3325 144212144 A A Famotidine N/C(N)=N/c1nc(CSCCC(\N)=N/S(N)(=O)=O)cs1 Tox21_301827 -NCGC00255195-01 196700569 tox21-ror-cho-viability-p1 set1 4 -11.71390813 0.86348195 -1.55711949 1.48732472 -5.28366374 -4.37164806 1.78033563 -4.04796609 -3.79491622 2.24562776 -3.28282672 -0.50622621 -12.6988403 -9.0636054 -0.72223382 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 378-44-9 9782 144211772 A A Betamethasone OCC(=O)[C@@]4(O)[C@@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_301455 -NCGC00256243-01 196700572 tox21-ror-cho-viability-p1 set1 4 30.6378586933 -13.4965143119 1 -12.4965143119 4.0949729863 0.6926788413 0.0416912304 0.93474128 1.22634227 -0.11378502 1.22094264 2.74937681 -1.49488024 -5.82362137 0.03421128 0.49586956 7.97203169 1.58069256 0.8740673 -1.097181 -9.45676804 -12.49709526 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67786-14-5 23668542 144212216 Ac Acid Red 337 [Na+].FC(F)(F)c3ccccc3/N=N/c2c(N)ccc1cc(cc(O)c12)S([O-])(=O)=O Tox21_301899 -NCGC00256075-01 196700582 tox21-ror-cho-viability-p1 set1 4 17.2289340586 -30.609243732 0.5 -30.109243732 0.3 0.5863238735 0.1068754779 0.47605783 0.31979856 -0.01275481 -3.48521423 -10.51293818 0.55276644 -17.07882083 -3.07688725 -4.6023912 -8.46793298 -15.08238926 -8.58807399 -9.10295101 -21.75770311 -21.25394077 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4748-78-1 20861 144212649 A B 4-Ethylbenzaldehyde CCc1ccc(C=O)cc1 Tox21_302332 -NCGC00256228-01 196700588 tox21-ror-cho-viability-p1 set1 4 -0.38598994 0.11322956 0.56258658 1.21395687 2.30776751 4.6989132 0.10003752 -0.16602219 3.51710445 8.63517024 0.04232289 0.95805595 1.75297578 4.68144421 2.59076052 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2896-70-0 520789 144211586 A A (2,2,6,6-Tetramethyl-4-oxopiperidin-1-yl)oxidanyl [O]N(C(C)(C)C1)C(C)(C)CC1=O Tox21_301269 -NCGC00256098-01 196700589 tox21-ror-cho-viability-p1 set1 4 -1.32414088 -0.09550711 -4.42237376 -1.46464799 1.29084834 -1.70243409 -6.43814372 -4.65320494 -10.3533233 -2.08429065 -3.52809674 0.41240879 -3.1691608 -7.8812738 1.144736 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-17-5 67060 144212015 A A 3-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid O=S(=O)(O)c1cccc(c1)N2N=C(C)CC2=O Tox21_301698 -NCGC00255594-01 196700986 tox21-ror-cho-viability-p1 set1 4 2.53038378 2.24688283 -0.43406327 0.7022013 5.31378475 3.99277667 -1.12034103 2.77376077 0.02104621 2.20555663 1.65157148 4.08069862 1.31491502 2.9589888 0.98346113 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120928-09-8 86356 144211540 F Fc Fenazaquin CC(C)(C)c1ccc(cc1)CCOc3ncnc2ccccc23 Tox21_301223 -NCGC00255807-01 196700991 tox21-ror-cho-viability-p1 set1 4 -8.32491276 -2.15874144 -0.10384116 1.00922402 2.66687113 -6.18106209 -0.40107395 -2.39952618 -4.14182942 -0.5778504 0.63426643 -5.10216052 -7.24337017 -7.97700441 -1.69797489 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 132739-31-2 164333 144211662 Z F Di(propylene glycol) tert-butyl ether OCCCOC(C)COC(C)(C)C Tox21_301345 -NCGC00254539-01 196699779 tox21-ror-cho-viability-p1 set1 4 12.1971512362 -16.156039212 -1 -17.156039212 1.24751 0.9398987201 0.0000230652 0.19305506 -2.0928574 -1.03249766 -0.16487638 -1.92172494 -3.71510637 -0.03592104 0.60196188 -0.52641346 -0.47850262 -6.19661087 -7.14860724 -10.30104663 -14.73854515 -15.96336601 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-53-1 448537 144210844 B B Diethylstilbestrol Oc1ccc(cc1)C(\CC)=C(/CC)c2ccc(O)cc2 Tox21_300526 -NCGC00091080-03 196699357 tox21-ror-cho-viability-p1 set1 4 7.2287237327 -12.9112879439 0.5 -12.4112879439 3.9899729863 0.889474056 0.000533546 0.38139514 0.43553761 1.27912123 0.60627827 0.4059554 -0.17293374 0.26460159 -3.56196847 1.93254894 1.49102487 -0.46210197 -7.21479348 -11.72602102 -15.75940662 -8.59711767 1.1199999999E-9 2.5029999999E-9 5.5979999999E-9 1.2519999999E-8 2.799E-8 6.259E-8 1.399E-7 3.129E-7 6.9969999999E-7 0.0000015649999999 0.000003499 0.000007823 0.000017489999999 0.00003912 0.00008747 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00254657-01 196699358 tox21-ror-cho-viability-p1 set1 4 33.2871744079 -12.620621136 1.5 -11.120621136 4.9549173134 0.6857071143 0.0456071336 -0.68847116 0.91803606 2.59179286 -1.66474332 -1.41648521 2.1335566 2.31662103 2.01172389 3.14669415 1.66308416 3.75074246 0.16632501 3.92065765 3.04564334 -9.26718428 5.869E-10 1.312E-9 2.935E-9 6.5619999999E-9 1.467E-8 3.281E-8 7.3359999999E-8 1.64E-7 3.668E-7 8.202E-7 0.000001834 0.000004101 0.0000091709999999 0.00002051 0.000045849999999 41198-08-7 38779 144211069 Ac Ac Profenofos Brc1cc(Cl)c(OP(=O)(OCC)SCCC)cc1 Tox21_300752 -NCGC00255309-01 196700594 tox21-ror-cho-viability-p1 set1 4 30.6378586933 -21.606817732 0.5 -21.106817732 4.9549173134 0.9414390439 0.0000199572 0.04525302 -0.73711101 1.72265573 -2.81807092 -0.7596071 0.21060802 -0.42812338 1.66729422 2.06998799 3.23480104 -0.55438924 2.7950603 0.53033761 -18.54574291 -19.67234811 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1689-83-4 15530 144211647 A A Ioxynil Ic1cc(C#N)cc(I)c1O Tox21_301330 -NCGC00254796-01 196699370 tox21-ror-cho-viability-p1 set1 4 -0.3953933 -1.04970831 -1.70003794 -0.43514108 -1.62132474 -1.19817682 -1.75079553 -2.46621005 -0.7935705 1.32172019 0.20620907 1.2138425 0.72971094 2.91776881 -0.19937918 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 52315-07-8 2912 144211209 I I Cypermethrin Cl/C(Cl)=C/C3C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C Tox21_300892 -NCGC00255887-01 196700196 tox21-ror-cho-viability-p1 set1 4 4.02242308 -1.20727612 4.85024844 -1.6983275 -0.84989709 0.91005818 -0.56735989 6.62378881 2.70691461 2.75296648 0.69169159 2.60652413 2.53777779 9.32665556 -0.66957891 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 29836-26-8 62852 144212479 A A Octyl beta-D-glucopyranoside OC[C@H]1O[C@@H](OCCCCCCCC)[C@H](O)[C@@H](O)[C@@H]1O Tox21_302162 -NCGC00255256-01 196700609 tox21-ror-cho-viability-p1 set1 4 6.32068404 1.59648985 3.5422385 1.31680178 3.42099188 4.48663197 3.03561747 3.1076356 -0.40214584 5.72581616 2.9713722 3.21217322 -1.53950152 -0.02090246 1.58107812 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3817-11-6 19665 144211580 A A Butyl-N-(4-hydroxybutyl)nitrosamine O=NN(CCCC)CCCCO Tox21_301263 -NCGC00255483-01 196700610 tox21-ror-cho-viability-p1 set1 4 3.8570778872 -14.226453224 -2.5 -16.726453224 0.7999999999 0.6872959467 0.0441535976 -6.38759716 -0.95228357 -7.39886081 0 -4.54408475 2.75474913 -2.61927604 -4.20153145 -6.48942463 -11.37126525 -7.35028581 -7.96063395 -14.85027318 -18.93871102 -12.78711333 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19719-28-9 88209 144212249 A A 2,4-Dichlorophenylacetic acid Clc1cc(Cl)ccc1CC(=O)O Tox21_301932 -NCGC00255797-01 196700611 tox21-ror-cho-viability-p1 set1 4 -2.12321556 -0.50084711 -3.66507373 1.93457045 -6.15096737 -6.98837622 -4.60052608 0.33350687 -8.11703934 -0.57240633 1.83038566 -12.89813783 -9.33933152 -2.50565086 -6.20950708 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14611-52-0 26758 144212163 A A Selegiline hydrochloride Cl.C#CCN(C)[C@H](C)Cc1ccccc1 Tox21_301846 -NCGC00090942-03 196701428 tox21-ror-cho-viability-p1 set1 -2.1 61.130564862 -96.598502874 -1.5179296129 -98.1164324869 4.4494702849 0.9927112456 1E-10 -0.47050506 -0.67654903 -2.39860298 -1.08324417 -0.58838746 -0.15529868 -0.06310602 0.45007982 -1.20148798 -0.08325355 -6.91360531 -3.56764353 -2.74357976 -15.33943035 -84.72921631 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00091146-04 196701447 tox21-ror-cho-viability-p1 set1 -2.4 27.3060203028 -31.201738304 -4 -35.201738304 1.4641 0.7616589376 0.016176651 -16.22450956 -1.71688526 0.60525233 -4.2815455 -0.84426532 -1.46421723 -11.46300256 -1.05741413 -0.20476208 -4.78870766 -8.73187752 -5.21038296 -13.93763437 -27.24222566 -29.33478192 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00256032-01 196701449 tox21-ror-cho-viability-p1 set1 4 0.4327712569 4.2355453599 -3.2355453599 1 4.9549173134 0.3203415369 0.3506805943 1.15591304 -4.15703488 -3.5841331 0.97764162 -3.99793897 -11.4462878 -1.16571371 -2.84180758 1.67774457 3.34379239 -1.36626174 0.97531353 -0.54464551 0.87529245 0.85467298 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15362-40-0 27211 144212073 A A 1-(2,6-Dichlorophenyl)-2-indolinone Clc1cccc(Cl)c1N2c3ccccc3CC2=O Tox21_301756 -NCGC00260502-01 196723865 tox21-ror-cho-viability-p1 set3 4 21.5576648745 -18.07663996 2 -16.07663996 0.6 0.6422098439 0.0690746748 -2.16191317 6.39459374 4.56939596 -2.78338349 1.98475545 5.74747478 0.43159097 -2.23073868 -2.39393342 -0.58190681 -4.45021861 -2.98335131 -1.8298254 -11.7305333 -10.94890396 1.1739999999E-9 2.625E-9 5.87E-9 1.3129999999E-8 2.9349999999E-8 6.5629999999E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003669 0.000008203 0.00001834 0.00004102 0.000091709999999 2039-76-1 74867 144210154 A A 3-Acetylphenanthrene CC(=O)c2ccc3ccc1ccccc1c3c2 Tox21_202956 -NCGC00247683-01 196723460 tox21-ror-cho-viability-p1 set3 4 45.5330932062 29.757680632 2.242319368 32 1.826479391 0.6735079372 0.0509050542 13.37439614 4.97222393 -4.04817511 0.95907062 4.04434982 -5.21473386 0.21567239 -4.5255108 8.15916924 1.78246486 6.83836589 0.0693154 12.73831709 14.54289325 29.57054563 1.355E-9 3.03E-9 6.7749999999E-9 1.515E-8 3.387E-8 7.574E-8 1.694E-7 3.7869999999E-7 8.468E-7 0.0000018939999999 0.000004234 0.000009468 0.00002117 0.00004734 0.0001059 4968-48-3 3030770 144206385 A A 1-Methyl-4-phenyl-4-propionoxypiperidine hydrochloride Cl.CN1CCC(OC(=O)CC)(CC1)c2ccccc2 Tox21_112832 -NCGC00090760-08 196723461 tox21-ror-cho-viability-p1 set3 -3 76.4894813809 -40.5332314799 0.8583153209 -39.674916159 4.9549173134 0.5640232037 0.1238606318 -5.4713376 -8.14476835 0 3.44568038 -16.99088712 0 0 0 9.18878376 7.4963571 11.55600068 4.6266198 2.8897675 3.68764807 -31.2776929 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00257046-01 196707659 tox21-ror-cho-viability-p1 set1 4 0.67400645 0.84716067 0.53502768 -0.98741256 0.18183581 -1.14682377 1.70885055 -0.851023 2.18805891 -2.10317411 -0.53522705 0.73989033 4.46477786 2.00795905 0.5699115 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-59-4 8199 144213425 C A 2-[2-(Hexyloxy)ethoxy]ethanol OCCOCCOCCCCCC Tox21_303108 -NCGC00178877-03 196704862 tox21-ror-cho-viability-p1 set1 4 -2.72654458 0.72757561 2.24831195 -2.61461416 -3.5079203 -3.52709028 -2.29040701 -1.20784953 -1.85497836 -2.57038407 -3.11130873 0.70568279 -0.0752322 0 3.30108481 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7246-14-2 23678596 170465152 A Methicillin sodium hydrate [Na+].O.O=C([O-])[C@@H]2N3C(=O)[C@@H](NC(=O)c1c(OC)cccc1OC)[C@H]3SC2(C)C Tox21_111320_1 -NCGC00274070-01 196704857 tox21-ror-cho-viability-p1 set1 4 -6.16839466 -4.93803065 -2.63827028 -5.42660978 -3.89269123 -2.3689366 -6.57527455 -5.41260704 -1.05802825 -0.60544101 -8.02071412 -2.96621697 -3.20498185 0.0495871 -0.63970493 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82834-16-0 107807 170464836 A Perindopril O=C(OCC)[C@H](CCC)N[C@@H](C)C(=O)N1[C@@H](C[C@@H]2CCCC[C@H]12)C(=O)O Tox21_113087_1 -NCGC00178145-03 196705254 tox21-ror-cho-viability-p1 set1 4 0.0006682425 10.43394428 -10.43394428 0 4.9549173134 0.4875059823 0.1938513662 -7.0282869 1.77879456 3.29093874 -2.09330364 -3.46964926 0.37290235 2.31885945 -0.23238534 0.36644744 -1.91453914 -0.07886732 -0.32345905 1.75505392 -1.8132701 1.1081604 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63-56-9 6136 170465519 A Thonzylamine hydrochloride Cl.COc1ccc(cc1)CN(CCN(C)C)c2ncccn2 Tox21_111387_1 -NCGC00164601-02 196705272 tox21-ror-cho-viability-p1 set1 4 0.19174662 -3.10571495 1.08271224 -2.34651648 0.73351328 -3.87545647 -2.10906687 -1.44216814 0.23510957 -3.44939877 -2.16680751 -1.9596059 -1.70647057 -0.23079002 -6.43566041 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 88678-31-3 3936 170466057 A Liranaftate COc1cccc(n1)N(C)C(=S)Oc2cc3CCCCc3cc2 Tox21_112223_1 -NCGC00260089-01 196704043 tox21-ror-cho-viability-p1 set1 4 0.01784036 -0.28352491 -0.94736647 -1.94397227 0.2194962 2.16348254 0.38647495 -10.11260609 1.40485627 -7.8688947 -0.40914812 0.26603869 0.4573729 1.85201316 4.34060858 5.887E-10 1.3159999999E-9 2.943E-9 6.582E-9 1.472E-8 3.291E-8 7.359E-8 1.645E-7 3.679E-7 8.227E-7 0.00000184 0.000004114 0.000009198 0.000020569999999 0.00004599 21850-44-2 62753 144209738 A A Tetrabromobisphenol A-bis(2,3-dibromopropyl ether) Brc1cc(cc(Br)c1OCC(Br)CBr)C(C)(C)c2cc(Br)c(OCC(Br)CBr)c(Br)c2 Tox21_202540 -NCGC00159365-04 196704443 tox21-ror-cho-viability-p1 set1 4 -0.26241831 -3.4528611 -3.81753968 -3.4797573 0.6219165 0.75947649 0.35481856 1.6358913 0.5048674 -2.71143372 -3.3640124 0.80647866 1.76828594 1.9826398 5.73003208 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122-46-3 67406 170466849 F m-Cresyl acetate O=C(C)Oc1cc(C)ccc1 Tox21_111606_1 -NCGC00015578-12 196704448 tox21-ror-cho-viability-p1 set1 4 -2.2121618 -0.67276184 0.6697684 -3.97845323 2.04483333 -3.5966958 -1.44246071 -1.13748354 -3.90687808 -3.47468933 -0.24158565 -1.44591097 1.25063994 -2.96414441 -0.0986744 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 22071-15-4 3825 170465449 A Ketoprofen CC(C(=O)O)c1cccc(c1)C(=O)c2ccccc2 Tox21_110594_1 -NCGC00253716-01 196705281 tox21-ror-cho-viability-p1 set1 4 5.81642078 1.03587552 1.13543572 0.65359383 0.10290719 -3.59978825 1.68766086 2.44522141 1.78815404 1.11363711 1.83511801 0.53966347 0.61146736 0.22427998 0.5051647 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 40187-51-7 198212 170466748 A A 5-Acetylsalicylamide O=C(N)c1cc(ccc1O)C(C)=O Tox21_113835 -NCGC00091586-02 196705295 tox21-ror-cho-viability-p1 set1 4 51.5595002592 -18.11657926 0 -18.11657926 2.5334283767 0.6775355751 0.0492309756 3.84020774 0.54139385 3.8895665 -0.56855312 0.47520384 -0.81895461 0.10823938 -0.17818855 -5.35717657 0.00770971 -5.69362041 1.9513588 -1.62792826 -5.8827313 -14.26381605 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00259477-01 196705702 tox21-ror-cho-viability-p1 set1 4 10.8596684482 17.193135488 -12.193135488 5 0.3 0.3917314315 0.2802096618 -16.41094624 -7.86076589 -8.95598439 -13.35017135 -3.74083389 -7.58014027 -9.84983486 -7.53975016 -5.14961849 -15.29231834 2.863902 -7.36879505 -4.58182081 -1.30249358 1.07199293 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.000001648 0.000003684 0.000008238 0.00001842 0.00004119 0.000092099999999 1465-25-4 15106 144209126 C C N-(1-Naphthyl)ethylenediamine dihydrochloride Cl.Cl.NCCNc2cccc1ccccc12 Tox21_201928 -NCGC00259884-01 196705706 tox21-ror-cho-viability-p1 set1 -2.4 63.437884795 -29.274737588 1 -28.274737588 2.9522712143 0.7805828188 0.0116790174 4.07455269 -4.96880558 1.46527081 2.79174456 1.15081608 0.60930892 -5.58023808 0.48794574 1.77399046 7.59752046 0.59492611 1.59437054 -0.35048755 -5.67209057 -21.47894799 1.2169999999E-9 2.722E-9 6.086E-9 1.361E-8 3.0429999999E-8 6.804E-8 1.521E-7 3.402E-7 7.607E-7 0.0000017009999999 0.0000038039999999 0.000008505 0.000019019999999 0.00004252 0.00009509 51-21-8 3385 144209533 D 5-Fluorouracil FC1=CNC(=O)NC1=O Tox21_202335 -NCGC00091044-02 196705707 tox21-ror-cho-viability-p1 set1 4 1.0554962 -1.12583904 -0.74647388 1.47332313 -1.8397874 5.41687139 -1.93451448 4.60287171 -2.32292109 5.14149803 -2.35136873 0.33301286 0.70936481 2.03155849 -0.96281607 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00090885-03 196705710 tox21-ror-cho-viability-p1 set1 4 -6.13728091 -9.63231571 -8.50750346 -5.36155039 1.42980859 -0.24632785 -0.56061381 -0.08760979 3.75060824 -9.1948176 -7.75836357 1.50782896 -5.49963029 1.45068558 -5.36641951 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00257809-01 196701770 tox21-ror-cho-viability-p1 set1 4 21.381504486 -7.674509308 3 -4.674509308 4.9549173134 0.5022246071 0.1967790592 0.64430647 2.99019488 1.51446712 4.9596041 0.5008024 0.61315704 6.43973118 1.14557118 2.21653115 5.7042897 5.05844484 3.46747412 0.77873887 -4.31209109 9.14959995 1.166E-9 2.608E-9 5.831E-9 1.304E-8 2.9159999999E-8 6.5199999999E-8 1.458E-7 3.26E-7 7.2889999999E-7 0.0000016299999999 0.000003645 0.00000815 0.00001822 0.00004075 0.00009112 64902-72-3 47491 144207453 A A Chlorsulfuron Cc2nc(NC(=O)NS(=O)(=O)c1ccccc1Cl)nc(OC)n2 Tox21_200255 -NCGC00255408-01 196701367 tox21-ror-cho-viability-p1 set1 4 22.7349724831 10.6510234079 -0.1510234079 10.5 3.0654483358 0.5476737702 0.1386483764 -2.62585284 0.47465216 0.5200471 -1.56652803 0.45144879 0.45443882 -1.71001124 -2.04122365 0.11355399 -1.87342459 7.88822138 -0.54315399 -1.90508759 6.97714927 9.05292548 6.901E-10 1.543E-9 3.4509999999E-9 7.716E-9 1.725E-8 3.858E-8 8.6269999999E-8 1.929E-7 4.313E-7 9.645E-7 0.000002157 0.000004822 0.000010779999999 0.000024109999999 0.00005392 80214-83-1 444037 144212152 A A Roxithromycin CN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)\C(=N\OCOCCOC)[C@H](C)C[C@@]2(C)O)[C@@H]3O Tox21_301835 -NCGC00255716-01 196701372 tox21-ror-cho-viability-p1 set1 4 17.2289340586 10.324768788 -0.824768788 9.5 3.9294729863 0.7922320651 0.0131282494 2.72733393 -1.3191554 -0.2482177 -3.60397399 0.1133541 -2.42535086 -2.15377542 0.36080207 0.09041491 -0.41172615 0.13329499 -0.52567455 5.49617019 9.06835591 0.27574558 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1501-27-5 73917 144211755 Z A 5-Methoxy-5-oxopentanoic acid OC(=O)CCCC(=O)OC Tox21_301438 -NCGC00257854-01 196701768 tox21-ror-cho-viability-p1 set1 4 75.6302711964 13.5730711721 1.4269288279 15 4.9549173134 0.4098115021 0.2641526449 4.07390232 2.64012272 2.97876292 2.41205577 -6.72755931 0.17660254 -0.01547522 0.73932072 5.55062995 -0.40432711 3.13306812 -2.08141632 4.34708954 0.85738745 11.03567424 1.163E-9 2.5999999999E-9 5.813E-9 1.2999999999E-8 2.9069999999E-8 6.499E-8 1.453E-7 3.25E-7 7.266E-7 0.000001625 0.0000036329999999 0.000008124 0.00001817 0.000040619999999 0.00009083 1761-71-3 15660 144207498 I A 4,4'-Diaminodicyclohexylmethane NC2CCC(CC1CCC(N)CC1)CC2 Tox21_200300 -NCGC00255498-01 196700150 tox21-ror-cho-viability-p1 set1 4 43.2771256911 -24.9104586 -4 -28.9104586 0.8999999999 0.6563225549 0.060517724 -7.83224953 -0.33046529 -4.85431866 -8.97906026 -4.04043297 -5.46385991 1.05065313 -3.81561352 -2.93781813 -10.91425506 -0.51388735 -9.86618291 -8.68972617 -20.7587155 -18.6552356 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5850-86-2 23682559 144211971 A C.I. Acid Orange 8, monosodium salt [Na+].O=S([O-])(=O)c3cc(C)c(/N=N/c1c2ccccc2ccc1O)cc3 Tox21_301654 -NCGC00254223-01 196699728 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -59.4782003303 -0.1209564539 -59.5991567842 4.9549173134 0.9742986948 2.013E-7 0.53553478 -1.81367527 1.33609642 1.51403617 1.15786284 0.29706926 -2.22008009 -0.10123424 -2.32402521 -0.35263005 -2.55437055 -1.89405175 2.32134487 0.22642892 -48.88821967 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 205-99-2 9153 144210609 A A Benzo(b)fluoranthene c1cccc5c1cc4c2c5cccc2c3ccccc34 Tox21_300289 -NCGC00255886-01 196700134 tox21-ror-cho-viability-p1 set1 4 -0.95643238 0.34627178 1.39858633 5.11417544 -1.99000561 -1.15473813 1.1689644 -0.93496542 1.39730638 -0.13041826 0.98183832 4.47562294 2.65843441 0.79055388 -0.68786271 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2050-60-4 16306 144211706 A A Dibutyl ethanedioate O=C(OCCCC)C(=O)OCCCC Tox21_301389 -NCGC00163735-04 196700137 tox21-ror-cho-viability-p1 set1 -2.4 25.8039129248 -25.0189471 -3.5 -28.5189471 1.0999999999 0.8041574772 0.0072955789 -10.67914746 -3.29101392 -0.80654044 -0.95618931 -2.18568416 -6.03191396 2.05323712 -6.07522491 -4.54338109 -4.65601374 -0.96585305 -12.72376398 -14.28994288 -19.12621202 -23.76578925 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00255757-01 196700554 tox21-ror-cho-viability-p1 set1 4 -5.44774412 -2.37219882 0.46078124 -7.8010545 -3.88458505 -8.01935337 -5.37381872 2.41142414 -7.95842639 -0.27491873 0.43623536 2.37570983 -7.83452064 -11.73399967 -14.20638794 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13171-00-1 61585 144211859 A Ac 1-(6-tert-Butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethanone CC(=O)c2cc(cc1c2CCC1(C)C)C(C)(C)C Tox21_301542 -NCGC00255753-01 196700960 tox21-ror-cho-viability-p1 set1 4 0.8634921799 -9.6043092 1.5 -8.1043092 0.3 0.3070224854 0.3779109598 -0.76012394 1.01628136 1.93861221 -0.25637593 -4.75738198 0.07198851 -6.36654566 -0.25429126 -0.69213107 -0.96568719 -5.49574916 -5.44915322 -11.753591 -0.96148103 0.49834721 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 872-10-6 13382 144212271 A Fns Pentyl sulfide CCCCCSCCCCC Tox21_301954 -NCGC00255264-01 196700962 tox21-ror-cho-viability-p1 set1 -1.2 15.3553036427 -44.4622536585 -4.590781175 -49.0530348335 1.4641 0.762188472 0.0160079585 -26.83170345 -15.90759268 -8.06351648 -6.43641349 -3.7675324 0.79187627 -5.74057827 -1.18873468 -0.00194438 -1.1741794 -8.53233807 -17.48768968 -30.34409746 -39.37393674 -45.11593548 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 728-40-5 69765 144212067 A A 2,6-Di-tert-butyl-4-nitrophenol CC(C)(C)c1cc(cc(c1O)C(C)(C)C)[N+]([O-])=O Tox21_301750 -NCGC00262957-01 196712988 tox21-ror-cho-viability-p1 set2 4 -0.84415067 3.47688777 -0.81741181 0.71152304 4.61918639 4.28668274 -1.75568779 4.57142307 0.9533241 4.40582801 1.94851326 3.04161245 0.77759912 0.01771263 -0.05846043 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 151287-22-8 216265 170466044 D F Tobicillin CC(C)C(=O)OCc4cc(OC(=O)[C@@H]2N3C(=O)[C@@H](NC(=O)Cc1ccccc1)[C@H]3SC2(C)C)ccc4 Tox21_113948 -NCGC00164595-02 196712992 tox21-ror-cho-viability-p1 set2 4 -1.5568183 -0.65118091 -3.30789725 -0.3766505 0.98347714 1.68004265 -1.99251632 -1.28656615 -3.7521661 -2.35805444 0.50741227 -2.4458022 -0.08677884 0.48005651 3.13564947 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83480-29-9 444020 170465993 Z Voglibose O[C@H]1[C@@H](NC(CO)CO)C[C@](O)(CO)[C@@H](O)[C@@H]1O Tox21_112220_1 -NCGC00183847-01 196712983 tox21-ror-cho-viability-p1 set2 4 29.8492948118 12.2458533159 -1.2458533159 11 3.6772481694 0.7605757095 0.0169084597 -1.22862113 -0.88762473 -2.57362681 -4.37154443 -4.22805926 -0.50596954 -0.22013468 -1.99088014 -0.74561184 1.04557374 -0.34604668 -2.36437474 0.09152835 1.30393556 8.76026491 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 86-12-4 27901 144206868 A A Thenalidine CN1CCC(CC1)N(Cc2cccs2)c3ccccc3 Tox21_113317 -NCGC00166247-02 196712984 tox21-ror-cho-viability-p1 set2 -2.1 13.3331902297 -82.211171003 -2.3676084369 -84.5787794399 2.1876167061 0.9907438695 5E-10 -1.25861726 -3.10420689 -4.10974722 -4.35302596 -4.03178149 -4.42001597 -3.43550059 -0.74192692 0.52497707 -0.65270191 0.75571237 -11.85743029 -25.79471066 -60.45442326 -82.920372 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 605-91-4 5709754 170466074 A Carbocyanine [I-].CC[n+]3c4ccccc4ccc3C=CC=C2C=Cc1ccccc1N2CC Tox21_112373_1 -NCGC00017245-10 196713412 tox21-ror-cho-viability-p1 set2 4 2.23761473 -0.64983318 3.10426435 2.21284683 4.25602164 3.31355745 4.10091648 0.30824266 -0.18827049 1.2355172 3.82418218 2.37225514 2.41619083 5.32101653 1.81745695 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 476-66-4 5281855 170466649 A Ellagic acid Oc1c4OC(=O)c2cc(O)c(O)c3OC(=O)c(cc1O)c4c23 Tox21_110805_1 -NCGC00015416-05 196713804 tox21-ror-cho-viability-p1 set2 4 0.88828182 3.03909622 0.24650215 -0.73197056 -1.52818768 -1.3249042 2.2202499 1.71816476 0.88920517 -0.56077833 0.10689112 2.41379886 -0.49775694 1.67603921 -1.63025595 5.899E-12 1.319E-11 2.949E-11 6.595E-11 1.475E-10 3.2969999999E-10 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 67-42-5 6207 170466544 F Egtazic Acid O=C(O)CN(CC(=O)O)CCOCCOCCN(CC(=O)O)CC(=O)O Tox21_110141_1 -NCGC00016064-12 196713805 tox21-ror-cho-viability-p1 set2 -1.1 13.3331902297 -82.3614721254 2.1039777895 -80.2574943359 3.9294729863 0.9787257355 6.78E-8 4.18589344 3.92915982 0.43306241 0.03265262 -0.15203906 0.25722048 -0.62252044 4.31888761 -0.65380951 1.85953664 2.79167433 3.12255501 -4.29482606 -77.68459859 -83.6015566 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50679-08-8 5405 170465598 A Terfenadine CC(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4 Tox21_110295_1 -NCGC00253938-01 196714224 tox21-ror-cho-viability-p1 set2 4 0.020139969 -6.3394973561 -1.4813953399 -7.820892696 2.7202212143 0.4570819017 0.2362934532 -2.59034434 -0.81782945 -1.38931368 -3.88611294 -5.07726648 -11.37983463 -6.93532881 -8.76623045 -12.76741058 -10.83484328 -3.83244033 -2.39570809 -4.76523524 -9.51806553 -2.13039212 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 105-67-9 7771 144210371 A A 2,4-Dimethylphenol Cc1ccc(O)c(C)c1 Tox21_300051 -NCGC00254819-01 196714228 tox21-ror-cho-viability-p1 set2 4 0.047101 -1.06855802 -0.42404411 -1.74948431 2.4928978 2.37484687 -0.25538356 2.6570834 -0.52572099 0.51741573 0.0835467 6.8450996 6.65326466 5.55820419 3.3883967 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1929-82-4 16004 144211233 A A Nitrapyrin ClC(Cl)(Cl)c1cccc(Cl)n1 Tox21_300916 -NCGC00091253-05 196714234 tox21-ror-cho-viability-p1 set2 4 26.4750877669 9.971985752 -0.471985752 9.5 0.8999999999 0.5751236161 0.1172866995 -2.51721994 0.9419082 1.09629691 1.1909781 -0.86751902 -0.23954833 -0.90235306 -2.89332146 0.9643621 0.19162533 1.09605008 -0.06706095 8.09926601 1.53919581 8.3740756 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00254279-01 196714637 tox21-ror-cho-viability-p1 set2 4 -3.30447739 -4.982235 0.20350809 -3.979406 -1.77000107 -7.05187265 -6.08710128 -6.5995144 -1.49285206 -0.84243 1.32870936 1.83536204 -4.65739245 -2.03672883 2.25602248 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6624-73-3 243694 144210842 A A Pentane-1,5-diyl dibenzoate O=C(OCCCCCOC(=O)c1ccccc1)c2ccccc2 Tox21_300524 -NCGC00164127-03 196714645 tox21-ror-cho-viability-p1 set2 -2.1 68.5896218971 -89.6867166231 0.303510874 -89.3832057491 3.6772481694 0.9879785154 2.4E-9 4.25034145 2.56561586 -0.41909852 -0.95557386 0.23320857 2.22905742 0.27713067 -1.55474573 -0.69492068 0.09370661 2.48406917 -1.34226319 -4.06190949 -12.13683215 -67.71454981 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00091643-08 196721957 tox21-ror-cho-viability-p1 set3 -2.2 27.3060203028 -39.2148491839 0 -39.2148491839 0.6 0.7637167621 0.0156319694 2.5904784 3.77511874 -3.19438172 -9.87735677 -4.5818179 2.80032246 1.5428892 0.55843394 1.41946452 -6.98218405 -16.14056909 -15.94959442 -15.47613625 -15.07743878 -31.01237432 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00258786-01 196721555 tox21-ror-cho-viability-p1 set3 4 2.1579701846 -15.634553972 -2 -17.634553972 0.7 0.6656881142 0.0661713921 -7.05994705 3.02395177 -6.52529801 -4.41463724 -5.14863519 -0.47639961 -6.72462644 -7.04356896 -2.14328685 -8.55852692 -12.21318487 -15.94455953 -16.36212831 -13.34662346 -5.30763466 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.000018359999999 0.000041049999999 0.000091779999999 17804-35-2 28780 144208432 A A Benomyl O=C(OC)Nc2nc1ccccc1n2C(=O)NCCCC Tox21_201234 -NCGC00258968-01 196721559 tox21-ror-cho-viability-p1 set3 4 27.5839434439 9.1270247039 -5.1270247039 4 4.9549173134 0.424429488 0.2496550506 -6.1664834 -4.12470028 -2.68053817 5.77873049 -5.75232385 -6.20845541 -5.84532465 -5.43949709 -7.95094419 -8.85585392 -5.90870334 -4.92516914 -4.78462839 3.97700906 2.75725862 1.19E-9 2.6619999999E-9 5.9519999999E-9 1.331E-8 2.976E-8 6.654E-8 1.4879999999E-7 3.3269999999E-7 7.44E-7 0.0000016639999999 0.00000372 0.0000083179999999 0.0000186 0.00004159 0.000093 598-72-1 11729 144208615 A B 2-Bromopropionic acid BrC(C)C(=O)O Tox21_201417 -NCGC00259450-01 196721575 tox21-ror-cho-viability-p1 set3 4 30.7937103556 13.1617175799 -5.1617175799 8 4.0949729863 0.507815122 0.1717678483 -1.93389112 -7.40806602 -3.44812247 -2.60932242 -6.07390475 -9.45135952 -11.38476465 -5.04374202 -10.4867922 4.83929634 -2.7093716 -7.15402632 -3.4706318 4.91048438 7.51356993 1.185E-9 2.651E-9 5.927E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3129999999E-7 7.409E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009261 868-85-9 6327114 144209099 D Dimethyl hydrogen phosphite O=P(OC)OC Tox21_201901 -NCGC00259323-01 196721964 tox21-ror-cho-viability-p1 set3 4 -5.54600349 -7.05946143 -4.5786322 2.30359628 -4.1792919 -3.7899451 -5.30658558 -4.50491852 -4.24166087 -3.87439127 -5.88917916 -5.7731609 -3.57733926 -1.81788218 -7.63962398 1.1999999999E-9 2.683E-9 5.999E-9 1.3409999999E-8 3E-8 6.707E-8 1.5E-7 3.3539999999E-7 7.499E-7 0.000001677 0.000003749 0.000008384 0.00001875 0.00004192 0.00009374 709-98-8 4933 144208972 A A Propanil Clc1ccc(NC(=O)CC)cc1Cl Tox21_201774 -NCGC00258797-01 196721971 tox21-ror-cho-viability-p1 set3 4 8.6173622229 9.1349806559 -3.6349806559 5.5 1.3437170999 0.5356876458 0.1483172711 -1.16600124 0.0625505 -1.54385824 0.34418824 -6.02067546 -2.49319409 -8.86248388 -8.09069354 -2.46007033 -4.20668422 -0.89477303 2.71528448 -0.41169939 6.69071373 4.5871482 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.365E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.00004117 0.00009206 833-66-9 23677963 144208443 A A Potassium 6-hydroxynaphthalene-2-sulfonate [K+].[O-]S(=O)(=O)c1ccc2cc(O)ccc2c1 Tox21_201245 -NCGC00163815-04 196721972 tox21-ror-cho-viability-p1 set3 -2.1 65.1933385464 -79.1311270862 -6.889816243 -86.0209433292 1.0999999999 0.8755801101 0.0009373651 -10.58889015 -5.36371976 -0.33916192 -4.3442818 -8.25710568 -5.85966909 -13.26210711 -8.12302155 -14.41950645 -3.50382819 -12.83738034 -12.17319109 -21.09790435 -26.51529968 -65.16738131 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00259139-01 196721974 tox21-ror-cho-viability-p1 set3 4 19.2132890434 11.923355804 -7.923355804 4 4.9549173134 0.3348945694 0.3501671957 -8.51725655 -7.69639642 -6.98127733 3.38322097 -8.29833962 -12.43005337 -6.17833872 -5.02257193 -12.14467279 -3.43490141 -11.69141761 -15.76946317 -2.21535259 3.5238423 -18.87025303 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 0.000091709999999 623-17-6 12170 144208788 B Fns Furfuryl acetate O=C(C)OCc1ccco1 Tox21_201590 -NCGC00259556-01 196721976 tox21-ror-cho-viability-p1 set3 4 22.2203954864 7.3812183799 -4.3812183799 3 4.0949729863 0.4308905604 0.2441309702 -1.82904083 -5.14075354 -5.53082423 -1.11918067 -7.7457362 -1.61705929 -8.23434865 -5.68649175 -7.63401328 0.64115881 -0.87519464 -7.46252801 -1.4204585 1.07506576 4.18059739 1.204E-9 2.692E-9 6.02E-9 1.346E-8 3.01E-8 6.7309999999E-8 1.5049999999E-7 3.366E-7 7.526E-7 0.000001683 0.000003763 0.000008414 0.000018809999999 0.000042069999999 0.000094069999999 76578-14-8 53518 144209205 A A Quizalofop-ethyl O=C(OCC)C(C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2 Tox21_202007 -NCGC00259631-01 196721200 tox21-ror-cho-viability-p1 set3 -1.2 15.1525256308 -36.5483576175 -4 -40.5483576175 1.0999999999 0.8403524426 0.0029853068 -5.44671568 -1.97266884 -1.46653228 0.11752611 -5.18843608 -8.71709979 -7.03145671 -6.51130083 -5.20625361 -4.51473441 -8.02650432 -9.34201647 -36.03088229 -24.31157637 -37.15784668 1.167E-9 2.61E-9 5.837E-9 1.305E-8 2.918E-8 6.5259999999E-8 1.459E-7 3.2629999999E-7 7.296E-7 0.000001631 0.000003648 0.000008157 0.000018239999999 0.000040789999999 0.0000912 886-50-0 13450 144209280 A A Terbutryn CSc1nc(NCC)nc(NC(C)(C)C)n1 Tox21_202082 -NCGC00254542-01 196720787 tox21-ror-cho-viability-p1 set3 4 13.531608373 -11.4769978039 11 -0.4769978039 4.4494702849 0.3707721412 0.3163341601 9.98681476 5.11194306 6.65691237 15.79393618 9.43135626 10.30244617 10.7745094 16.42451862 1.20804595 19.1697027 15.76070666 10.57771336 2.35039236 -0.39749817 9.19308772 1.062E-9 2.374E-9 5.309E-9 1.187E-8 2.654E-8 5.935E-8 1.327E-7 2.968E-7 6.636E-7 0.000001484 0.000003318 0.000007419 0.00001659 0.0000371 0.00008295 27323-41-7 24180686 144210910 Dodecylbenzene sulfonate triethanolamine(1:1) OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC.OCCN(CCO)CCO Tox21_300593 -NCGC00259911-01 196706089 tox21-ror-cho-viability-p1 set1 4 -0.87117874 2.43836557 5.64669984 0.83100376 -2.12497172 1.18040718 2.14877164 -1.03253197 -17.20591281 4.99274864 4.08517109 2.76058971 2.76314893 2.61556523 2.97913844 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.00004119 0.000092099999999 108-80-5 7956 144209560 A Cyanuric acid Oc1nc(O)nc(O)n1 Tox21_202362 -NCGC00258992-01 196705689 tox21-ror-cho-viability-p1 set1 4 0.0049447938 -7.942001808 8 0.057998192 4.9549173134 0.6326218224 0.0759440998 4.95234369 11.3025277 1.23568207 -0.25882366 -1.13990494 -1.26167569 -1.05044803 1.11359558 -0.33538704 3.53216837 0.76482487 2.11400228 -1.61833484 -0.86935329 2.9668982 1.198E-9 2.679E-9 5.9899999999E-9 1.339E-8 2.995E-8 6.697E-8 1.4979999999E-7 3.3489999999E-7 7.488E-7 0.0000016739999999 0.000003744 0.0000083719999999 0.000018719999999 0.000041859999999 0.000093599999999 2244-16-8 16724 144208639 A A d-Carvone CC1=CC[C@@H](CC1=O)C(C)=C Tox21_201441 -NCGC00259556-01 196706080 tox21-ror-cho-viability-p1 set1 4 7.52626738 3.77736409 1.92883702 5.98376015 1.6455332 5.67975199 2.65741259 1.02703148 -13.77604259 2.99178686 0.08420558 2.33152881 0.41161538 3.65501845 -0.57375233 1.204E-9 2.692E-9 6.02E-9 1.346E-8 3.01E-8 6.7309999999E-8 1.5049999999E-7 3.366E-7 7.526E-7 0.000001683 0.000003763 0.000008414 0.000018809999999 0.000042069999999 0.000094069999999 76578-14-8 53518 144209205 A A Quizalofop-ethyl O=C(OCC)C(C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2 Tox21_202007 -NCGC00259036-01 196706091 tox21-ror-cho-viability-p1 set1 4 -3.14929299 -4.56643704 -2.47989131 -0.38375355 -0.304768 -1.60295835 0.50965073 -4.31404716 0.06706989 2.86785935 -2.88161616 -0.45400156 -5.30701567 0.92739469 -3.20413824 1.182E-9 2.6429999999E-9 5.91E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.304E-7 7.387E-7 0.0000016519999999 0.0000036939999999 0.000008259 0.000018469999999 0.000041299999999 0.00009234 110-98-5 8087 144208683 A I 1,1'-Oxybis-2-propanol CC(O)COCC(C)O Tox21_201485 -NCGC00259782-01 196706092 tox21-ror-cho-viability-p1 set1 4 2.1623787035 14.062277452 -11.062277452 3 0.6 0.526922533 0.1549227522 -6.80152366 -5.05956144 -14.4337937 -18.38523121 -15.0414956 -3.10056114 -12.19815039 -5.08535796 -0.90674399 -8.3855347 -3.85848239 -3.83770164 0.49337585 4.05512416 0.18643788 1.177E-9 2.631E-9 5.884E-9 1.316E-8 2.942E-8 6.578E-8 1.471E-7 3.289E-7 7.354E-7 0.000001645 0.0000036769999999 0.000008223 0.00001839 0.00004111 0.00009193 117-84-0 8346 144209431 A A Dioctyl phthalate O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCC Tox21_202233 -NCGC00258803-01 196706095 tox21-ror-cho-viability-p1 set1 4 77.4286392264 10.5222387239 -0.5222387239 10 4.9549173134 0.3530522821 0.3198577443 4.06179628 -1.13971066 -3.83354291 0.36600355 0.05570937 -1.68512753 -1.81119596 -7.51853227 -0.39943815 0 3.3479059 0.55183716 -0.59155551 -1.11346526 7.07843018 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.000041429999999 0.000092629999999 95-49-8 7238 144208449 A Fns 2-Chlorotoluene Cc1ccccc1Cl Tox21_201251 -NCGC00259476-01 196706099 tox21-ror-cho-viability-p1 set1 4 -11.52912516 -3.26825324 -8.07865994 -13.61475009 -8.77504442 -1.33870221 -0.609995 -3.20544364 -4.55276621 -14.41499269 -11.03116782 2.49507283 2.50326971 -5.24308626 -3.66851883 1.195E-9 2.671E-9 5.973E-9 1.336E-8 2.986E-8 6.678E-8 1.493E-7 3.3389999999E-7 7.466E-7 0.000001669 0.000003733 0.000008347 0.00001866 0.00004174 0.00009332 99-07-0 7421 144209125 A A 3-Dimethylaminophenol CN(C)c1cccc(O)c1 Tox21_201927 -NCGC00256655-01 196707368 tox21-ror-cho-viability-p1 set1 4 1.14071335 -0.03107415 0.61822444 -6.11354 -13.08841746 -5.91967162 1.77606415 1.35777989 1.26709678 -1.86235035 0.00289478 -1.60412705 -8.45492476 0.03302771 -0.14646679 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 162881-26-7 164512 144213007 F Ac (Phenylphosphoryl)bis[(2,4,6-trimethylphenyl)methanone] O=P(C(=O)c1c(C)cc(C)cc1C)(C(=O)c2c(C)cc(C)cc2C)c3ccccc3 Tox21_302690 -NCGC00259961-01 196706945 tox21-ror-cho-viability-p1 set1 4 4.7522592337 -4.270140848 4 -0.270140848 3.9899729863 0.4019449823 0.2733058313 3.26964484 1.9763431 6.6323201 8.44569942 3.18097476 3.31211164 2.34205317 0.75033758 1.92789364 9.47330513 2.46989183 0.16771921 0.12053026 -0.54603181 -0.64178404 1.159E-9 2.592E-9 5.7959999999E-9 1.2959999999E-8 2.898E-8 6.48E-8 1.449E-7 3.24E-7 7.245E-7 0.00000162 0.000003622 0.0000080999999999 0.000018109999999 0.000040499999999 0.00009056 109-02-4 7972 144209610 FC 4-Methylmorpholine CN1CCOCC1 Tox21_202412 -NCGC00258798-01 196706950 tox21-ror-cho-viability-p1 set1 4 4.19145665 -3.28777682 0.0788038 -0.78962054 -1.85010887 -0.55626594 3.57903304 2.56161785 0.48408295 -5.49217 -4.72176555 -4.39707382 -5.96988118 3.38687305 -1.49047762 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.953E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008253 0.000018449999999 0.00004127 0.00009227 73-22-3 6305 144208444 A A l-Tryptophan O=C(O)[C@@H](N)Cc2cnc1ccccc12 Tox21_201246 -NCGC00256396-01 196707358 tox21-ror-cho-viability-p1 set1 -1.2 21.6899429044 -50.6657842269 -10.528628733 -61.1944129599 3.9294729863 0.9640622492 0.0000013459 -5.08229303 -7.91518997 -12.08827847 -11.3914133 -12.13787961 -7.31693716 -6.54939503 -11.36306449 -13.19494655 -13.76360739 -18.13785806 -11.03624728 -26.93434771 -59.381064 -59.16985652 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-00-7 6 144213119 A A 1-Chloro-2,4-dinitrobenzene O=[N+]([O-])c1cc(ccc1Cl)[N+]([O-])=O Tox21_302802 -NCGC00256464-01 196707370 tox21-ror-cho-viability-p1 set1 -3 61.130564862 -49.4910550829 2.3167906449 -47.174264438 2.9522712143 0.8253767516 0.0044444013 7.57431566 5.85253457 6.7194 4.84162106 -0.00671652 -0.86770556 0.19378039 0.25046886 5.61420339 5.64334581 -11.13547829 -0.14242228 1.368402 -9.01019653 -36.08987144 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 305-03-3 2708 144213313 A Fns Chlorambucil O=C(O)CCCc1ccc(cc1)N(CCCl)CCCl Tox21_302996 -NCGC00159417-06 196703021 tox21-ror-cho-viability-p1 set1 -2.1 55.7594848687 -76.7586763493 -1.575290373 -78.3339667223 2.0478617061 0.9489810553 0.0000093876 -2.5499869 -1.64015546 -1.19879543 5.27262591 0.48041456 -2.61794716 -0.83266991 0.72900549 -1.05781595 -0.58951369 -3.15697551 -13.14466393 -10.32065023 -24.46681975 -60.48027782 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00091210-02 196703034 tox21-ror-cho-viability-p1 set1 4 48.5577336745 -16.609995104 -2 -18.609995104 0.8999999999 0.4684847837 0.2076354745 -0.10325202 -4.93523835 -3.46834779 3.05958113 -2.20039229 -6.04823575 -0.55475761 -6.59287506 0.02451069 -7.13384033 -5.23843843 -2.35085816 0.61068983 -14.67499592 -14.65171133 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00357212-01 196703431 tox21-ror-cho-viability-p1 set1 4 0.62534089 7.04985173 8.60981245 -0.05871065 -0.02154012 5.95134177 -0.80363011 0.77356705 0.66826149 7.07693749 5.6582391 -0.88780163 1.17306792 8.47381733 9.63160566 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-72-2 8488 251919857 A N,N,3-Trimethylaniline Cc1cc(ccc1)N(C)C Tox21_303992 -NCGC00260213-01 196703432 tox21-ror-cho-viability-p1 set1 4 4.5086823 8.08563987 5.44838066 4.47821239 6.34948045 4.85109218 5.1664874 -0.68001653 0.35382639 3.96739274 8.28522039 8.54191113 4.40816591 5.76459761 8.25477114 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.386E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 NOCAS_49384 60196383 144209863 A A 1-Butyl-1-methylpiperidinium trifluoromethanesulfonate FC(F)(F)S([O-])(=O)=O.C[N+]1(CCCC)CCCCC1 Tox21_202665 -NCGC00260426-01 196703433 tox21-ror-cho-viability-p1 set1 4 -4.14013456 -3.79518706 -7.95074787 -0.820076 -7.90836169 -5.94547059 3.21273142 -0.12794306 -8.34359023 -5.17671767 -8.78358227 -4.03126366 -12.89995662 -4.34239171 0.33085795 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004124 0.00009223 93-99-2 7169 144210078 F Fns Phenyl benzoate O=C(Oc1ccccc1)c2ccccc2 Tox21_202880 -NCGC00257823-01 196701798 tox21-ror-cho-viability-p1 set1 4 78.2127246844 7.8062931079 -0.3062931079 7.5 4.9549173134 0.3983674366 0.280355649 0.68307841 0.71145115 -0.15347451 -0.08158288 0.31716255 -6.08857759 0.61158804 0.01469773 0.76412933 0.11770373 -2.35290637 1.19667202 -0.4481247 0.07516544 5.18872136 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.0000016719999999 0.0000037379999999 0.000008358 0.00001869 0.00004179 0.00009344 102-08-9 700999 144207467 A A Thiocarbanilide S=C(Nc1ccccc1)Nc2ccccc2 Tox21_200269 -NCGC00255386-01 196701383 tox21-ror-cho-viability-p1 set1 4 0.0243365162 6.39501284 -4.89501284 1.5 4.9549173134 0.5263719347 0.1563739948 -2.13966063 -3.43934616 -8.6625107 -6.01870947 0.10469677 0.08549053 2.89009442 1.95709333 2.34203802 1.77775231 -0.08213999 -1.83528239 -3.46913534 5.6674326 6.80796696 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81-14-1 6669 144211944 A A Musk ketone O=[N+]([O-])c1c(C)c(c(C)c(c1C(C)(C)C)[N+]([O-])=O)C(C)=O Tox21_301627 -NCGC00091086-02 196701390 tox21-ror-cho-viability-p1 set1 4 1.04495618 0.1432902 0.94557101 1.28300914 1.18920516 0.59728394 0.66137969 0.56341404 -0.56177858 0.05899722 1.86709219 1.3427153 1.8737853 2.74869682 0.4378184 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00256056-01 196701393 tox21-ror-cho-viability-p1 set1 4 108.7072248181 -23.8516501 -1.5 -25.3516501 0.7999999999 0.35891832 0.3115971498 0.45112038 -5.02803568 -2.60451332 -1.64834165 -0.32561264 -1.52682967 -1.54005605 -0.08268151 -0.14774322 -0.45240445 -7.84151191 -1.08399481 -15.46137522 2.56933793 -17.79304175 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2628-16-2 75821 144211934 A D 4-Ethenylphenyl acetate O=C(C)Oc1ccc(cc1)C=C Tox21_301617 -NCGC00258367-01 196701813 tox21-ror-cho-viability-p1 set1 4 8.2722501 1.06234296 0.76332627 3.06163301 -5.65118082 1.08270428 1.32053378 4.8134804 2.58639994 -0.85980669 3.73911946 0.48424893 5.96134289 4.26638554 1.72904851 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.000018429999999 0.0000412 0.000092129999999 68915-31-1 24451 144208011 Sodium polyphosphate [Na+].[Na+].[O-]P(=O)(O)OP([O-])(=O)O Tox21_200813 -NCGC00257626-01 196701815 tox21-ror-cho-viability-p1 set1 4 -5.8719448 2.05621776 -6.09097233 -6.24610279 -7.54449249 -7.56546312 -13.66828414 0.61364421 -2.54917005 -4.05278563 -8.17311704 -6.67537887 -8.2614306 -8.74647173 -3.19894165 1.163E-9 2.5999999999E-9 5.8139999999E-9 1.2999999999E-8 2.9069999999E-8 6.5E-8 1.453E-7 3.25E-7 7.267E-7 0.000001625 0.000003634 0.000008125 0.00001817 0.000040619999999 0.00009084 577-59-3 11346 144207270 A A 2-Nitroacetophenone O=[N+]([O-])c1ccccc1C(C)=O Tox21_200072 -NCGC00258759-01 196702209 tox21-ror-cho-viability-p1 set1 4 0.10490139 1.22901234 0 2.45110516 -0.47010185 -5.17001317 2.26155822 -5.44044237 0.27243897 1.37917277 -0.12498852 0.82554492 1.34616746 -0.49281185 3.73253822 1.1679999999E-9 2.6129999999E-9 5.8419999999E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.4599999999E-7 3.2659999999E-7 7.3019999999E-7 0.0000016329999999 0.0000036509999999 0.000008164 0.00001826 0.00004082 0.00009128 79-31-2 6590 144208405 A A 2-Methylpropanoic acid CC(C)C(=O)O Tox21_201207 -NCGC00257665-01 196702210 tox21-ror-cho-viability-p1 set1 4 -7.84515554 -3.62852801 -14.9131887 0.57819648 -7.40650609 0.30612999 -7.20888343 0.18225776 -7.5680427 -6.61267489 -13.16195667 -15.65021963 -11.80146106 -9.94027943 -6.68428982 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.295E-7 7.367E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.000041179999999 0.00009209 143-28-2 5284499 144207309 A A (9Z)-Octadec-9-en-1-ol CCCCCCCC\C=C/CCCCCCCCO Tox21_200111 -NCGC00095179-05 196717143 tox21-ror-cho-viability-p1 set2 4 -3.76446084 -6.10191201 -6.5096849 -5.01828664 0.58807058 -2.32808883 -1.3968494 -0.61580951 -0.49982577 -0.86835126 -2.43904488 -1.77728063 1.6131978 -0.81098958 -3.27309909 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82626-48-0 5732 170465242 A Zolpidem CN(C)C(=O)Cc1c(nc2ccc(C)cn12)c3ccc(C)cc3 Tox21_111471_1 -NCGC00262965-01 196716740 tox21-ror-cho-viability-p1 set2 4 -1.17109477 0.83654576 -0.10917234 0.52163888 -4.42834687 -8.61766389 -6.9200275 -7.7901914 0.09894493 0.82656726 1.73736434 1.15616835 0.99640882 -5.70714469 -12.21816529 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 18174-58-8 28931 170466482 A A Pipoxolan hydrochloride Cl.O=C2OC(CCN1CCCCC1)OC2(c3ccccc3)c4ccccc4 Tox21_113956 -NCGC00163815-04 196717139 tox21-ror-cho-viability-p1 set2 -2.1 54.4826732819 -97.8356799439 0.4393134739 -97.39636647 1.98874246 0.9651886617 0.0000011249 0.8087709 0.24944865 2.18289029 0.72093911 2.82181681 2.18036527 5.68537551 3.24733848 -3.77501762 -0.93294036 -0.41245591 -6.89295985 -15.84800391 -27.13453133 -74.92148975 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00090827-04 196717141 tox21-ror-cho-viability-p1 set2 4 1.70495414 -0.86508498 2.60177437 3.06656412 3.84993781 5.01201057 7.08837304 6.18135422 -0.91664785 0.30768222 4.46465073 -0.77843237 0.81674385 -1.27810369 0.21263426 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00260324-01 196724226 tox21-ror-cho-viability-p1 set3 4 0.0000656976 12.606286332 -10.106286332 2.5 3.9899729863 0.4303740806 0.2451521663 -6.75523861 6.17431264 -0.96804422 0.85105029 -0.87168891 0.0242201 4.91129495 1.10900806 1.7648338 2.48159933 3.50270281 5.30548722 3.93853094 0.47425696 6.99280452 5.816E-11 1.301E-10 2.908E-10 6.503E-10 1.454E-9 3.2509999999E-9 7.27E-9 1.6259999999E-8 3.635E-8 8.128E-8 1.8179999999E-7 4.064E-7 9.088E-7 0.0000020319999999 0.0000045439999999 7783-18-8 6096946 144209975 Ac Ammonium thiosulfate [NH4+].[NH4+].[O-]S([S-])(=O)=O Tox21_202777 -NCGC00260582-01 196724233 tox21-ror-cho-viability-p1 set3 4 0.0009439176 16.863487136 -15.363487136 1.5 1.8579476909 0.6648670753 0.0561709869 -11.13623928 -2.4186672 -2.60119713 -0.26810179 2.86442648 2.30491024 2.78595589 2.91532505 -3.49043982 6.88892815 0.07148247 0.36396201 0.03533583 1.05618915 2.48813771 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49478 144210235 M M NTP Mix42 CT1 3-EQP Tox21_203037 -NCGC00260548-01 196724241 tox21-ror-cho-viability-p1 set3 4 2.9740030892 9.2687565 -0.2687565 9 3.1319983358 0.4100809404 0.26404529 1.77483108 -0.57371002 -6.47396375 -1.89434969 6.10354522 -0.45224864 2.28950133 1.09073595 -3.05625375 1.93239243 -2.15307157 -0.25503352 -0.0953437 0.37334402 9.89392295 5.881E-11 1.3149999999E-10 2.9399999999E-10 6.575E-10 1.4699999999E-9 3.288E-9 7.351E-9 1.644E-8 3.676E-8 8.219E-8 1.838E-7 4.1089999999E-7 9.189E-7 0.000002055 0.000004594 87-82-1 6905 144210201 F Hexabromobenzene Brc1c(Br)c(Br)c(Br)c(Br)c1Br Tox21_203003 -NCGC00182704-02 196697875 tox21-ror-cho-viability-p1 set1 4 -0.92964283 0.43200211 -1.00923958 -5.11829966 0.04259873 0.257081 -0.02097742 -0.00913511 -2.75671707 -2.97204311 -4.45011865 -4.12371159 -0.77190529 4.26498437 -8.68154485 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 187164-19-8 3003141 144206804 A A Luliconazole N#C/C(=C1/SC[C@H](S1)c2ccc(Cl)cc2Cl)n3ccnc3 Tox21_112974_1 -NCGC00015082-09 196722397 tox21-ror-cho-viability-p1 set3 4 29.8492948118 17.01269194 0.98730806 18 4.4494702849 0.6551641967 0.0614779199 -0.21874959 7.78739418 -1.99638652 2.0431492 3.65194112 -2.09390995 3.42202168 -1.64634668 3.16389739 2.5816071 -1.2081468 -1.37475102 1.43602663 3.80110432 15.75158823 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 996-19-0 2734952 170466652 F Pimagedine NC(=N)NN.O=S(=O)(O)O.N=C(N)NN Tox21_111552_1 -NCGC00259581-01 196721994 tox21-ror-cho-viability-p1 set3 4 -6.91318616 -3.97067835 -5.26547608 -0.51937481 -7.20614072 -5.59387537 -5.30690075 -7.28091981 -6.3296333 0.25295661 -6.50579346 -4.18902014 -2.22245262 1.12648285 2.58423027 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004127 0.00009229 77-78-1 6497 144209230 D Dimethyl sulfate O=S(=O)(OC)OC Tox21_202032 -NCGC00259321-01 196722000 tox21-ror-cho-viability-p1 set3 4 27.1117539593 7.22176908 -4.22176908 3 4.9549173134 0.3566875246 0.3152640342 -6.58061205 -2.48883067 -0.58363288 4.16568234 -4.65000783 -7.2681409 -6.97217503 -4.9115564 -5.89107223 -2.8311003 -5.96557545 -6.17256916 -5.63786575 5.08480973 0.37347428 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.0000036659999999 0.000008198 0.00001833 0.00004099 0.000091659999999 85-02-9 6796 144208970 A A Benzo(f)quinoline c2cc1ncccc1c3ccccc23 Tox21_201772 -NCGC00015762-13 196722393 tox21-ror-cho-viability-p1 set3 2.2 2.5918491848 50.4998954939 -14.3440454345 36.1558500594 0.8999999999 0.9438149622 0.0000158601 -13.04189626 -18.30951543 -14.35292861 -12.37330919 -8.46226275 -14.69002537 -16.94368563 -14.10310248 -5.01534406 -11.11703954 0.10894467 10.32254562 20.22969408 17.51149191 34.2379462 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 14698-29-4 4628 170466273 A Oxolinic acid O=C(O)C2=CN(CC)c1cc3OCOc3cc1C2=O Tox21_110216_1 -NCGC00168269-02 196722405 tox21-ror-cho-viability-p1 set3 4 9.2623402018 38.8732631879 -4.8732631879 34 0.3 0.6461893281 0.0662367179 0.13551763 -8.64438599 9.63697148 -1.39426553 -6.01789538 3.07050787 -4.88732391 17.08667858 10.24300765 13.91094848 5.75144946 14.05145482 15.39159755 18.30633749 25.35842762 1.377E-9 3.0799999999E-9 6.887E-9 1.54E-8 3.443E-8 7.699E-8 1.722E-7 3.8499999999E-7 8.608E-7 0.0000019249999999 0.000004304 0.000009624 0.000021519999999 0.000048119999999 0.00010759999999 24973-25-9 62786 144206403 A A 2,5-Dimethoxyamphetamine hydrochloride Cl.COc1ccc(cc1CC(C)N)OC Tox21_112850 -NCGC00167474-04 196722808 tox21-ror-cho-viability-p1 set3 4 0.2371013766 -13.1183175879 6.5 -6.6183175879 4.9549173134 0.3681373835 0.3018321549 8.19961026 -0.19511464 14.39269323 -1.59361616 7.93677957 17.67745751 -7.80505762 15.98681108 -16.40447831 0.29969978 -1.54022836 -1.25312255 1.35823865 -17.59859799 -12.51370871 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 139481-59-7 2541 170466386 A Candesartan O=C(O)c4cccc5nc(OCC)n(Cc1ccc(cc1)c2ccccc2c3nnnn3)c45 Tox21_112478_1 -NCGC00167514-02 196722810 tox21-ror-cho-viability-p1 set3 4 0.0009439176 11.13298076 -1.13298076 10 4.5044702849 0.3350603878 0.3353719553 -0.1108173 7.88692609 10.21746079 5.47251322 17.51381588 7.40176299 5.05262337 6.11039275 11.79038357 14.52668909 11.7932534 12.78505179 12.18047795 4.86498278 9.14054112 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 965-90-2 13765 170465211 F Ethylestrenol C[C@]32CC[C@@H]1[C@H]4CCCC=C4CC[C@H]1[C@@H]3CC[C@@]2(O)CC Tox21_112512_1 -NCGC00091086-02 196722814 tox21-ror-cho-viability-p1 set3 4 43.2771256911 12.0033623519 -0.0033623519 12 3.0654483358 0.4589788421 0.2168335486 -0.77041498 2.75403456 0.12293 2.57849187 1.44044352 -0.32922543 0.28930161 2.22927739 -6.25280196 4.97140012 2.50830965 -5.81632376 -4.39640716 7.68289556 10.41263306 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00015523-13 196723217 tox21-ror-cho-viability-p1 set3 -2.2 18.8336317891 -36.341227108 1.5 -34.841227108 2.4063783767 0.9536731595 0.0000055448 -1.47881225 1.28820167 -1.0628408 -1.23501187 3.8887452 -1.88518469 4.68129384 2.02106825 1.99180231 3.39615999 3.72897344 0.29292594 -4.47775046 -19.10507705 -30.70102259 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123-31-9 785 170464661 F Hydroquinone Oc1ccc(O)cc1 Tox21_110169_1 -NCGC00159325-05 196723221 tox21-ror-cho-viability-p1 set3 4 -1.07849297 -0.95000927 1.06711777 3.84637699 -1.31334175 2.24927448 -8.01442204 -9.22897123 5.30019348 2.3780737 4.99600644 1.97425733 -1.5905321 0.09418301 -7.16843715 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 100643-71-8 124087 170464781 A Desloratadine Clc2cc3CCc4cccnc4\C(=C1\CCNCC1)c3cc2 Tox21_111574_1 -NCGC00015799-06 196723646 tox21-ror-cho-viability-p1 set3 4 0.1496008549 8.1925869919 -2.1925869919 6 4.9549173134 0.5914151623 0.1034663026 -4.97029548 1.63811004 -3.56481106 1.37779859 -7.66048916 3.26452837 -6.56747676 3.64307577 10.77848708 4.61698861 6.96816238 2.22837247 3.46409447 6.11445211 7.89015583 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62-68-0 65341 170466149 A Proadifen hydrochloride Cl.CCN(CC)CCOC(=O)C(CCC)(c1ccccc1)c2ccccc2 Tox21_111260_1 -NCGC00166114-03 196723648 tox21-ror-cho-viability-p1 set3 4 0.81628326 1.00323605 1.94669199 0.80268583 0.49081143 -0.11875662 -0.40165207 1.08315635 -1.8825788 -5.72055747 6.79460241 -0.55713383 -1.14818438 -2.46275581 4.05937794 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17372-87-1 11048 170466832 F Eosin [Na+].[Na+].[O-]C(=O)c4ccccc4C=2c3cc(Br)c([O-])c(Br)c3OC=1C=2C=C(Br)C(=O)C=1Br Tox21_112323_1 -NCGC00091380-04 196708626 tox21-ror-cho-viability-p1 set2 4 -6.66617896 -2.91514544 -3.85015914 -9.99609909 -3.98161289 -5.9667906 0.36388258 -7.09879118 -6.69903774 2.77040022 -7.37670573 -10.42217716 2.58432484 -2.74513028 -3.28577815 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00259324-01 196708612 tox21-ror-cho-viability-p1 set2 -2.4 48.0643456406 -27.51414054 1 -26.51414054 2.8472712143 0.9870998129 3.7E-9 1.04344144 -0.90110607 0.62605563 1.60216848 0.36579338 1.80696915 0.62621738 0.64668018 -0.17822206 1.76279046 1.17118134 0.7389065 -0.60981042 -9.29540392 -22.92845045 1.1699999999E-9 2.6159999999E-9 5.85E-9 1.3079999999E-8 2.925E-8 6.54E-8 1.462E-7 3.27E-7 7.3119999999E-7 0.000001635 0.000003656 0.000008175 0.00001828 0.00004088 0.0000914 103-34-4 7648 144208973 A A 4,4'-Dithiodimorpholine S(SN1CCOCC1)N2CCOCC2 Tox21_201775 -NCGC00258973-01 196708620 tox21-ror-cho-viability-p1 set2 4 4.37101301 -0.08592159 3.90896752 5.467403 2.01031165 0.65635331 3.98608478 1.68386173 2.15690598 0.33938493 -0.83382049 2.66655974 1.99339889 1.68548913 1.21783382 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.9479999999E-8 6.591E-8 1.474E-7 3.296E-7 7.369E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 142-16-5 5365125 144208620 A Ac Bis(2-ethylhexyl) maleate O=C(\C=C/C(=O)OCC(CC)CCCC)OCC(CCCC)CC Tox21_201422 -NCGC00259882-01 196708625 tox21-ror-cho-viability-p1 set2 4 23.3267859215 10.1023307839 -0.1023307839 10 1.92824246 0.8669286011 0.0013247266 3.18976867 0.1069152 -0.3385071 -0.62971476 -1.75194232 -0.51299494 -0.55327594 -0.55234044 -0.84736447 -0.26088733 -0.50792725 2.96301407 3.22176258 9.35479744 8.68978573 1.3799999999E-9 3.085E-9 6.8989999999E-9 1.543E-8 3.45E-8 7.714E-8 1.725E-7 3.8569999999E-7 8.624E-7 0.000001928 0.000004312 0.0000096419999999 0.000021559999999 0.00004821 0.00010779999999 69655-05-6 50599 144209531 A A 2',3'-Dideoxyinosine O=C3NC=Nc2c3ncn2[C@H]1CC[C@@H](CO)O1 Tox21_202333 -NCGC00091284-03 196709031 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -78.5687010554 -1.121189652 -79.6898907074 4.9549173134 0.9814555875 3.07E-8 0.84536747 -1.0835952 0.20585981 -4.2514712 -1.07991412 -3.59237428 -0.83466097 -3.25426199 -3.39731298 0.38136184 -3.50621596 0.98182453 -0.31972634 -1.80727307 -65.23007199 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00259234-01 196709042 tox21-ror-cho-viability-p1 set2 -2.4 69.4274967035 -34.204306292 1 -33.204306292 3.6272481694 0.9481624308 0.0000103121 1.87053136 -1.43516138 0.45254899 2.71477195 0.49196944 3.1386314 -0.05492682 1.10043133 -1.60029729 1.07576301 2.67020387 3.59096784 -0.26052254 -3.5115741 -24.33692191 1.1919999999E-9 2.6649999999E-9 5.959E-9 1.332E-8 2.98E-8 6.662E-8 1.49E-7 3.331E-7 7.449E-7 0.0000016659999999 0.000003724 0.0000083279999999 0.00001862 0.00004164 0.00009311 58-08-2 2519 144208883 F Caffeine O=C2c1n(C)cnc1N(C)C(=O)N2C Tox21_201685 -NCGC00259225-01 196709436 tox21-ror-cho-viability-p1 set2 4 4.94017119 0.07970101 1.66762705 2.68710538 0.66386928 2.22002804 0.59067923 -0.897128 0.80226717 3.47231565 0.97086311 3.74203838 4.17485067 0.72701963 1.92490894 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041219999999 0.00009218 36734-19-7 37517 144208874 A A Iprodione O=C2CN(C(=O)NC(C)C)C(=O)N2c1cc(Cl)cc(Cl)c1 Tox21_201676 -NCGC00259384-01 196709453 tox21-ror-cho-viability-p1 set2 4 -1.91699412 -0.64588436 -0.15446439 -1.91946876 -0.3769997 -0.30070719 -2.10842303 0.55875279 -1.59074747 0.15431412 -2.60296534 1.24280842 0.14954302 -0.10369965 -0.10920928 1.189E-9 2.6589999999E-9 5.946E-9 1.3289999999E-8 2.973E-8 6.647E-8 1.486E-7 3.3239999999E-7 7.4319999999E-7 0.000001662 0.000003716 0.000008309 0.000018579999999 0.000041549999999 0.0000929 206-44-0 9154 144209033 A A Fluoranthene c1cccc4c1c2cccc3cccc4c23 Tox21_201835 -NCGC00259223-01 196705741 tox21-ror-cho-viability-p1 set1 4 28.3646053891 -9.30478704 2.5 -6.80478704 1.21 0.3719165502 0.3189978095 1.85693368 1.0527583 -1.5077604 5.54302281 4.51726142 2.81781318 3.57228315 1.66487142 7.81565326 -0.63106114 0.47242119 1.06787534 0.05781957 -4.0039892 0.00296426 1.218E-9 2.723E-9 6.088E-9 1.361E-8 3.044E-8 6.807E-8 1.522E-7 3.403E-7 7.61E-7 0.000001702 0.000003805 0.0000085079999999 0.000019019999999 0.000042539999999 0.00009512 7773-06-0 24482 144208872 A A Ammonium sulfamate [NH4+].[O-]S(N)(=O)=O Tox21_201674 -NCGC00015081-04 196705310 tox21-ror-cho-viability-p1 set1 4 29.8492948118 -22.3580604279 3 -19.3580604279 1.031 0.6730350627 0.0514675896 5.7144685 0.159821 2.39632802 0.46085364 0.16771855 9.42623074 0.09109573 6.81589585 4.01858317 -0.24459108 2.14645202 -0.86812061 -3.66406473 -2.98335462 -12.79838369 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 75529-73-6 73334 170466525 A Amperozide hydrochloride Cl.Fc1ccc(cc1)C(CCCN2CCN(CC2)C(=O)NCC)c3ccc(F)cc3 Tox21_111208_1 -NCGC00259770-01 196705719 tox21-ror-cho-viability-p1 set1 4 -8.53328882 -4.08141702 -6.79716828 -6.89963155 3.46103309 -4.04159478 -5.11844016 -3.17413602 3.90293881 -9.13187554 -11.61131149 -4.19739211 -2.65415683 -2.53603197 -8.70251038 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.3289999999E-7 7.445E-7 0.000001665 0.0000037219999999 0.000008324 0.00001861 0.00004162 0.00009306 57-68-1 5327 144209419 A A Sulfamethazine O=S(=O)(Nc1nc(C)cc(C)n1)c2ccc(N)cc2 Tox21_202221 -NCGC00090986-03 196705721 tox21-ror-cho-viability-p1 set1 -2.2 61.5037543138 -55.5937903819 -3.196363958 -58.7901543399 3.5117481694 0.8494957442 0.0022847772 -10.26268254 3.63776508 1.3684665 0.03202964 -7.38271411 -3.32993474 -10.90899192 -1.13021442 0.98697749 -0.74557611 1.01278279 -12.6514171 -5.1532453 -13.73003223 -48.3258745 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00260569-01 196723879 tox21-ror-cho-viability-p1 set3 4 -7.54712251 1.28378052 1.67158006 -8.45543643 3.83352023 2.42785864 0.23825332 0.27733202 2.25505554 -1.50420688 -3.57140371 -1.39304813 3.56279324 0.5921856 2.60785969 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49465 144210222 M M NTP Mix77 CT1 62-EQP Tox21_203024 -NCGC00253677-01 196723466 tox21-ror-cho-viability-p1 set3 4 0.29287215 0.2578934 -0.69258726 4.39318227 0.61518584 0.43721806 -0.76740481 0.53956193 3.28720329 5.80041817 1.98352727 -0.81239625 2.11422457 2.9323358 7.66000837 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23680-84-4 90235 170466738 A A 4-Amino-2-chloro-6,7-dimethoxyquinazoline Nc2nc(Cl)nc1cc(OC)c(cc12)OC Tox21_113801 -NCGC00260058-01 196723872 tox21-ror-cho-viability-p1 set3 4 0.0167889066 6.60139962 -4.60139962 2 4.9549173134 0.5831846009 0.110241036 -1.21161111 -5.60185628 -6.75116635 -4.79498138 -2.60307441 3.77558198 3.83147968 -0.60553674 -0.01800808 4.12788651 4.02125909 2.63407414 -3.67943805 0.45777953 6.01636908 5.9E-10 1.319E-9 2.95E-9 6.596E-9 1.4749999999E-8 3.298E-8 7.375E-8 1.6489999999E-7 3.687E-7 8.245E-7 0.000001844 0.000004123 0.0000092179999999 0.000020609999999 0.00004609 3648-20-2 19283 144209707 F Fns Diundecyl phthalate O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC Tox21_202509 -NCGC00260361-01 196723873 tox21-ror-cho-viability-p1 set3 4 0.0019567327 11.789208832 -7.789208832 4 2.6384283767 0.5714603027 0.1201534555 -5.24100736 0.34268266 3.41273808 2.43618801 5.73850744 2.89818258 5.28855412 4.85943233 3.9203035 6.4691469 5.73607328 4.31954911 3.26406348 -2.43760364 2.65961556 1.1919999999E-9 2.6649999999E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.662E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004164 0.000093099999999 2417-72-3 256687 144210013 F A Benzoic acid,4-(bromomethyl)-,methylester BrCc1ccc(cc1)C(=O)OC Tox21_202815 -NCGC00260599-01 196723880 tox21-ror-cho-viability-p1 set3 4 0.0007497804 21.719899848 -20.719899848 1 4.9549173134 0.5541062014 0.1323998565 -15.59991654 -0.04292838 -2.75277419 -7.81942235 2.50667371 0.73106709 3.66368634 4.60220085 0.6106587 4.47768886 2.79859825 -2.44747248 -1.82260855 7.28480341 -2.27541154 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49495 144210252 M M NTP Mix2 AR1 4-EQP Tox21_203054 -NCGC00260644-01 196723883 tox21-ror-cho-viability-p1 set3 4 0.026603212 -6.708211236 3.5 -3.208211236 4.9549173134 0.4671845801 0.2260805685 2.08069758 0.20863285 -0.37998082 3.50516 12.83563842 -5.2367002 -2.3833788 -3.42075245 -5.01433811 -5.59017603 0.30678798 -3.27013247 -2.51597626 -2.45392495 6.91507291 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49540 144210297 M M NTP Mix85 ER AR1 18-EQC Tox21_203099 -NCGC00262958-01 196697716 tox21-ror-cho-viability-p1 set1 4 0.08706661 4.25297142 -0.2718521 0.5769806 6.5351523 6.4044154 4.28018228 4.81147683 0.46098113 1.776113 3.30997403 0.6037015 -0.23875177 3.69837064 0.66932274 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77181-69-2 72187526 170466041 A A Bravavir Br\C=C/C1=CN(C(=O)NC1=O)[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O Tox21_113949 -NCGC00253598-01 196697723 tox21-ror-cho-viability-p1 set1 4 0.24709415 1.92252459 2.30646854 1.22538309 2.03561157 4.61029108 4.79548682 5.60924152 1.97848979 1.3903501 0.36090952 1.3488247 1.96605011 3.75995865 3.10624932 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17784-12-2 5322 170465286 A F Sulfacytine O=C1N=C(C=CN1CC)NS(=O)(=O)c2ccc(N)cc2 Tox21_113734 -NCGC00025345-02 196697727 tox21-ror-cho-viability-p1 set1 4 -1.41319552 -5.34465918 -2.35173339 -0.29870864 2.39868496 -0.98649268 -4.55062771 -3.65157766 -1.27204362 0.08743414 -0.60228476 1.0964095 0 -4.83012462 -2.09203649 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82248-59-7 54840 170465067 A Atomoxetine hydrochloride Cl.Cc2ccccc2O[C@H](CCNC)c1ccccc1 Tox21_110292_1 -NCGC00015570-07 196697730 tox21-ror-cho-viability-p1 set1 4 0.19663383 0.83930455 0.36293383 -0.78946283 -0.43208494 0.49969016 -4.64596931 0.57258205 -5.11546806 -3.9240826 -6.69242017 -1.16995156 -3.82987057 0.87253947 0.72788801 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 81167-16-0 133621 170466588 A Imiloxan CCn3ccnc3CC1COc2ccccc2O1 Tox21_110175_1 -NCGC00090776-02 196723486 tox21-ror-cho-viability-p1 set3 4 67.3360061293 23.5538612041 2.4461387959 26 4.4494702849 0.6419067695 0.0691104029 -3.3459668 4.95464755 -3.37821767 0.10971284 4.71147313 4.68408651 6.78916203 6.86395019 -1.86419833 3.00623776 6.30499195 1.99661835 -2.01370662 4.81522206 20.94199392 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00179274-03 196723062 tox21-ror-cho-viability-p1 set3 4 29.8492948118 -15.270243172 0 -15.270243172 4.0949729863 0.562373744 0.1261213764 -1.35377695 -0.48394548 -0.04269741 -2.09150086 -0.33102062 -0.67651053 -2.91967865 -1.21499649 3.62417542 5.23016911 7.66237762 -1.09157918 -3.91056146 -2.55207985 -13.14186931 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10310-32-4 5284629 170465999 D Tribenoside O[C@@H]2[C@@H](OCc1ccccc1)[C@H](O[C@H]2OCC)C(COCc3ccccc3)OCc4ccccc4 Tox21_110564_1 -NCGC00091205-03 196723070 tox21-ror-cho-viability-p1 set3 4 0.4584606907 -9.3971691 0.5 -8.8971691 1.0641 0.8242888204 0.0067588214 -0.09050439 0.72254613 -1.53433705 0.75325212 -0.69803163 1.88016575 -1.04646897 -2.2739153 -6.52463974 -5.61213186 -5.81172268 -7.98750544 -12.83097425 -6.4805955 2.98514413 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00357223-01 196723903 tox21-ror-cho-viability-p1 set3 4 0.1933118196 19.36152572 -10.86152572 8.5 0.2 0.4881287852 0.1898334472 -9.4679381 -4.44716113 -0.7884601 -5.87332682 -1.13260758 -3.19276883 1.36044193 0.6385083 -0.39452777 -3.86517 3.34729779 4.53293333 -0.44913677 -1.94776795 10.73996614 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 615-13-4 11983 251919919 Bc 1,3-Dihydro-2H-inden-2-one O=C1Cc2ccccc2C1 Tox21_304008 -NCGC00016397-04 196723481 tox21-ror-cho-viability-p1 set3 4 0.26603212 16.192685278 -20.760421982 -4.567736704 1.0999999999 0.3648954327 0.3049089414 -14.58087116 -12.13724588 -10.47607256 -35.3307991 -13.59254642 -41.26736997 -16.50049298 -15.84956029 -5.24086075 -3.40448338 -4.21744928 -11.2263085 -12.2058844 -7.40375117 4.40999707 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 132-69-4 65464 170465576 A Benzydamine hydrochloride Cl.CN(C)CCCOc3nn(Cc1ccccc1)c2ccccc23 Tox21_110420_1 -NCGC00091426-02 196723890 tox21-ror-cho-viability-p1 set3 4 0.35830378 1.20727002 -8.38642526 -14.53779842 3.26849819 -6.44813245 -4.85402808 -4.94964596 2.08584596 1.76217062 0.41944115 -0.04776036 -0.42979006 -0.00486359 1.7304807 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00259932-01 196723906 tox21-ror-cho-viability-p1 set3 4 0.1937050628 4.472137016 -4.972137016 -0.5 4.9549173134 0.3807515055 0.3092247703 -1.71344389 -7.06011418 -7.03241348 -4.48752238 -4.65381186 -3.25087487 -4.79322279 1.67134063 5.722953 -0.71857903 -3.21415813 1.2267329 -4.71870592 -2.97130557 -3.19485706 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.305E-7 7.3889999999E-7 0.0000016519999999 0.0000036949999999 0.000008262 0.000018469999999 0.00004131 0.00009237 2921-88-2 2730 144209581 A B Chlorpyrifos Clc1cc(Cl)c(Cl)nc1OP(=S)(OCC)OCC Tox21_202383 -NCGC00166043-02 196698167 tox21-ror-cho-viability-p1 set1 4 -2.83156216 -5.92026763 -1.58048445 0.1914208 6.60500202 -0.46213257 -5.05460621 0.16661915 2.62087789 0.35622119 -4.69287312 -1.6273033 -4.89057538 0.48246939 5.20842694 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2174-64-3 71648 170466372 Ac Flamenol Oc1cc(O)cc(OC)c1 Tox21_112298_1 -NCGC00093364-02 196698586 tox21-ror-cho-viability-p1 set1 4 0.0006682425 8.56392656 -7.56392656 1 4.9549173134 0.5307215065 0.1566073635 -5.4699388 5.74367465 1.27827923 0.99613767 1.82831809 0.60991118 0.65453193 1.70757652 0.00631642 -0.05016009 -0.00488038 2.31822724 1.05698262 -0.18573569 0.84636278 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56-04-2 667493 170466508 A 6-Methyl-2-thiouracil O=C1C=C(C)NC(=S)N1 Tox21_111088_1 -NCGC00244580-01 196698982 tox21-ror-cho-viability-p1 set1 4 34.3762428541 -14.5590460879 -0.5 -15.0590460879 1.6258976909 0.7656904367 0.0153177397 -0.10428541 -0.11082905 -1.85215332 -2.76409152 -4.89033531 0.77581729 3.75820589 -2.18575048 -0.49822131 -0.00314644 0.45021024 -2.98242244 -5.52900971 -7.05133977 -14.21587174 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00255081-01 196698996 tox21-ror-cho-viability-p1 set1 4 4.28625842 -0.71941257 -0.07054097 3.17088759 -0.57074955 -2.19316053 -0.30411364 0.65528924 0.01769261 0.0706961 0.37532805 0.53759892 -1.63477769 4.7061882 6.58850157 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21282-97-3 88855 144211500 A A 2-[Methacryloyloxy]ethyl acetoacetate O=C(CC(C)=O)OCCOC(=O)C(=C)C Tox21_301183 -NCGC00254248-01 196699004 tox21-ror-cho-viability-p1 set1 4 -1.79465786 -1.879814 -4.53997752 -0.63898224 -0.69010716 -3.13169751 -1.64329656 -2.27322019 0.50701618 0.06959512 -1.3377512 -1.60515447 0.1422537 -4.46879511 -1.04108754 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15310-01-7 27195 144210738 A A Benodanil O=C(Nc1ccccc1)c2ccccc2I Tox21_300420 -NCGC00255806-01 196700281 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -18.435964704 1 -17.435964704 4.9549173134 0.6516296998 0.0635247186 0.55343418 5.26215391 -1.01073437 0.88989071 0.04359258 4.06684742 4.50147183 0.70426631 1.59402378 -0.26156262 -6.65749666 0.07611842 -0.51798006 0.17723006 -14.11330392 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77501-90-7 53672 144211571 A A Fluoroglycofen-ethyl Clc2cc(ccc2Oc1cc(C(=O)OCC(=O)OCC)c(cc1)[N+]([O-])=O)C(F)(F)F Tox21_301254 -NCGC00254995-01 196699854 tox21-ror-cho-viability-p1 set1 4 -1.16002809 -2.07117596 -0.71923544 0.11115097 -3.29041871 2.90547425 2.60234304 0.25037392 -4.61195742 -4.42938087 0.52746053 -6.79720025 -1.57338828 0.88465397 2.08604796 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 706-14-9 12813 144211412 A A gamma-Decanolactone O=C1CCC(CCCCCC)O1 Tox21_301095 -NCGC00254439-01 196699855 tox21-ror-cho-viability-p1 set1 4 1.44999157 2.81380157 -2.86088836 -0.20560379 1.46955893 0.97854889 1.56703879 2.47646589 -0.52821486 0.02894966 3.03520373 -1.22666587 1.5868928 -1.27964638 -0.55859129 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 177785-47-6 462368 144210746 A A PharmaGSID_47261 O=C(O)[C@@H](N2Sc1ccccc1C2=O)[C@@H](C)CC Tox21_300428 -NCGC00259708-01 196706107 tox21-ror-cho-viability-p1 set1 4 -9.59538606 -6.08292989 -11.07230195 -11.59168768 -10.41502121 -5.53715932 -5.29688082 -8.96319035 -4.17004126 -10.22595176 2.20995252 -9.41396283 -16.83152917 -16.22190565 -10.31475855 1.1999999999E-9 2.684E-9 6.002E-9 1.3419999999E-8 3.0009999999E-8 6.71E-8 1.5E-7 3.355E-7 7.5019999999E-7 0.000001677 0.0000037509999999 0.000008387 0.00001875 0.000041939999999 0.000093769999999 610-39-9 11883 144209357 A A 3,4-Dinitrotoluene O=[N+]([O-])c1cc(C)ccc1[N+]([O-])=O Tox21_202159 -NCGC00258897-01 196706113 tox21-ror-cho-viability-p1 set1 4 -1.86130339 -7.06793828 -17.1462583 -5.37209449 -2.28741303 -11.23048291 -5.49876968 -3.03778996 -5.02011017 -1.33551493 -0.12531987 -6.80805495 -3.80656261 3.9053418 -2.27741001 1.159E-9 2.592E-9 5.795E-9 1.2959999999E-8 2.8969999999E-8 6.479E-8 1.449E-7 3.239E-7 7.244E-7 0.00000162 0.000003622 0.000008098 0.000018109999999 0.00004049 0.00009054 1459-93-4 15088 144208543 A A Dimethyl isophthalate COC(=O)c1cccc(c1)C(=O)OC Tox21_201345 -NCGC00090952-07 196706940 tox21-ror-cho-viability-p1 set1 4 -0.20864698 0.89067243 -2.59562442 -3.12502171 -0.6349913 -1.6413777 1.11597323 0.90151628 -0.196214 0 -8.4114166 -4.29476584 -0.32058034 -6.92357211 -4.94497075 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00356985-01 196703232 tox21-ror-cho-viability-p1 set1 4 0.12328729 -4.91103123 4.03925076 -0.12101908 0.82022106 -0.50609534 -0.03599636 0.56939685 -1.46969548 -0.32985393 -0.96392639 0.49439433 1.08514456 2.19193723 -0.05093309 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 67762-27-0 15076 251919695 A Alcohols, C16-18 CCCCCCCCCCCCCCCCCO Tox21_303960 -NCGC00260650-01 196703224 tox21-ror-cho-viability-p1 set1 4 1.57785159 -0.70749882 -1.7470998 1.84039515 -0.12925158 0.44997278 -1.49934993 8.12886262 0.43404922 5.64171504 4.33337174 1.74597431 0.99224395 -0.26598967 -0.90226536 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49546 144210303 M M NTP Mix91 ER AR1 18-EQP Tox21_203105 -NCGC00260423-01 196703228 tox21-ror-cho-viability-p1 set1 4 -1.37565143 3.04943452 1.25129654 4.50370063 1.08506281 1.21259202 1.89826511 0.34135362 2.55470995 -0.503605 1.36205019 0.74679098 -1.16535105 1.73749129 -1.38995256 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.0000082699999999 0.000018489999999 0.00004135 0.000092459999999 92-43-3 7090 144210075 A B 3-Pyrazolidinone,1-phenyl- O=C1CCN(N1)c2ccccc2 Tox21_202877 -NCGC00260462-01 196703231 tox21-ror-cho-viability-p1 set1 4 12.3585788414 -10.3296608159 0 -10.3296608159 0.6999999999 0.7750959378 0.0131834308 0.93008633 -3.18855853 -0.02175346 1.90480116 -2.2503713 1.15994711 -0.8293655 -0.11143834 -1.04414499 -3.28279706 -2.21745107 -3.20394128 -7.97337441 -5.89621789 -8.60805068 1.193E-9 2.667E-9 5.963E-9 1.333E-8 2.981E-8 6.6669999999E-8 1.491E-7 3.3329999999E-7 7.4539999999E-7 0.0000016669999999 0.0000037269999999 0.000008333 0.00001863 0.00004167 0.00009317 3764-01-0 77378 144210114 Z C 2,4,6-Trichloropyrimidine Clc1cc(Cl)nc(Cl)n1 Tox21_202916 -NCGC00260093-01 196703236 tox21-ror-cho-viability-p1 set1 -2.4 48.2616000528 -31.3113761559 0.5 -30.8113761559 2.4729283767 0.952260228 0.0000065625 5.04953719 -2.54994216 -0.13841667 0.33423905 0.2374332 0.90892877 -1.31603232 0.08387603 0.89782831 -0.51068482 0.46121595 0.11860224 -2.34101621 -12.22425973 -25.25948013 1.1739999999E-9 2.626E-9 5.871E-9 1.3129999999E-8 2.936E-8 6.564E-8 1.468E-7 3.282E-7 7.339E-7 0.000001641 0.000003669 0.000008205 0.00001835 0.00004103 0.000091739999999 9002-93-1 5590 144209742 F Ac Triton X-100 CC(C)(C)CC(C)(C)c1ccc(OCCO)cc1 Tox21_202544 -NCGC00357122-01 196703242 tox21-ror-cho-viability-p1 set1 -2.4 30.6378586933 -27.8934166919 1.5 -26.3934166919 4.0949729863 0.9439396448 0.0000157182 3.9329226 5.13826534 -0.72342967 1.69979989 3.71679421 3.23453004 4.02083913 -1.98459161 1.80177277 -2.34127125 1.57469693 0.64140705 -2.04445705 -20.44047768 -26.99451391 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2032-65-7 16248 251919710 A Methiocarb Cc1cc(cc(C)c1SC)OC(=O)NC Tox21_303856 -NCGC00357228-01 196703639 tox21-ror-cho-viability-p1 set1 4 0.7786382 -0.11587683 1.32495153 0.78828276 1.40145723 0.9515163 3.94447451 5.36611298 0.27300987 -1.62289578 3.10925225 -0.19868213 4.54166172 1.24743084 0.30661814 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-67-8 66679 251919970 B N,N-Diethyl-m-toluidine CCN(CC)c1cc(C)ccc1 Tox21_304015 -NCGC00357109-01 196703660 tox21-ror-cho-viability-p1 set1 4 1.333319023 -8.3336827639 2 -6.3336827639 2.3331733767 0.6134590538 0.0880022079 5.95605226 -0.77783738 0.03999839 -0.49517796 7.63145673 -1.6732698 2.77136606 1.8447629 0.08758266 0.65284603 -3.65016763 -9.02806897 -3.05623487 -3.94029792 -8.68106548 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3118-97-6 5809936 251919754 A C.I. Solvent Orange 7 Cc3ccc(/N=N/c1c2ccccc2ccc1O)c(C)c3 Tox21_303836 -NCGC00357126-01 196704052 tox21-ror-cho-viability-p1 set1 4 4.24475305 4.36141528 0.19851151 4.74083347 0.77698636 2.87562321 -1.33288898 1.9622652 -1.97693188 1.03949386 4.56880442 3.96263328 -17.70433253 2.20679816 -5.78835596 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6283-25-6 22691 251919743 A 2-Chloro-5-nitroaniline Nc1cc(ccc1Cl)[N+]([O-])=O Tox21_303861 -NCGC00255212-01 196701381 tox21-ror-cho-viability-p1 set1 4 -5.11334029 -0.42796925 -3.87546411 -0.93692192 -4.25244917 -9.2137615 -7.35067475 0.2429837 -3.27411676 -12.04294438 0.85274001 -13.40860957 0.9568948 -10.12035859 -17.68130441 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 943-41-9 13671 144212573 Bc F N-Nitroso-N-methyl-4-nitroaniline O=NN(C)c1ccc(cc1)[N+]([O-])=O Tox21_302256 -NCGC00255980-01 196700967 tox21-ror-cho-viability-p1 set1 4 27.167235033 -8.09083082 0 -8.09083082 4.9549173134 0.6292136775 0.0781150103 0.05173702 -1.46414197 -6.52781493 0.50016214 0.88671035 -0.7047246 1.45438805 0.21234654 0.96338617 1.74886779 0.4243969 1.13021476 0.67325218 -8.82569235 -6.97602091 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.938E-8 6.568E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.000041049999999 0.0000918 1918-18-9 15969 144211652 A A Swep Clc1ccc(NC(=O)OC)cc1Cl Tox21_301335 -NCGC00255688-01 196700980 tox21-ror-cho-viability-p1 set1 4 0.72523201 -3.33940994 0.20964292 -2.68306187 -1.76975352 -3.46473913 0.03698215 -0.47960862 -1.13802803 -3.1382836 -3.39434642 0.90208687 -6.70784578 -1.8503754 -2.15714518 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25059-80-7 3034351 144212280 A A Benazolin-ethyl O=C(OCC)CN2c1c(cccc1Cl)SC2=O Tox21_301963 -NCGC00255764-01 196700983 tox21-ror-cho-viability-p1 set1 4 -12.20016014 -18.05710322 -2.9558945 0.24070226 -4.92777837 -4.11875279 -6.39241538 -15.55499714 -15.22395669 -2.82230124 -13.63541934 -1.81571965 -16.83311461 -15.05213416 -13.64668222 8.376E-10 1.873E-9 4.188E-9 9.365E-9 2.094E-8 4.682E-8 1.0469999999E-7 2.3409999999E-7 5.2349999999E-7 0.0000011709999999 0.0000026179999999 0.000005853 0.00001309 0.00002926 0.00006544 157810-81-6 5462355 144212732 A A Indinavir sulfate O[C@H](CN1CCN(C[C@H]1C(=O)NC(C)(C)C)Cc2cccnc2)C[C@@H](Cc3ccccc3)C(=O)N[C@H]4c5ccccc5C[C@H]4O.O=S(=O)(O)O Tox21_302415 -NCGC00253754-01 196723408 tox21-ror-cho-viability-p1 set3 4 23.7101376556 14.3487522561 0.1512477439 14.5 1.0999999999 0.6030583622 0.0958604746 0.72766166 -0.521693 0.61453162 0.63522891 -0.29935687 -1.49339895 0.66096957 -0.80506364 2.4087583 1.19427694 3.39213487 1.73210775 -1.54062688 11.75946832 8.05385102 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64486-18-6 5858790 170466689 A C (2Z)-{2-[(Chloroacetyl)amino]-1,3-thiazol-4-yl}(methoxyimino)acetic acid O=C(Nc1nc(cs1)\C(=N\OC)C(=O)O)CCl Tox21_113869 -NCGC00159420-04 196723001 tox21-ror-cho-viability-p1 set3 4 0.1059092946 8.7369854519 -7.2369854519 1.5 0.8999999999 0.3357876043 0.3336075494 -6.61173056 -0.54273108 -21.03082121 -2.36525799 0 -10.49071097 -0.89350615 -3.90461917 0.21745295 0.31600015 1.95995111 1.10365342 -0.40127251 -1.73509358 4.97517042 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 115-33-3 8269 170466798 A Oxyphenisatin acetate CC(=O)Oc1ccc(cc1)C2(c3ccccc3NC2=O)c4ccc(OC(C)=O)cc4 Tox21_111651_1 -NCGC00015754-16 196723398 tox21-ror-cho-viability-p1 set3 4 23.7101376556 -12.189309768 0.5 -11.689309768 2.7202212143 0.4951066851 0.183873966 3.84855052 1.30989483 5.55481645 3.70056599 2.07233175 -1.60889472 -2.96210176 -2.11913368 -5.34549199 3.20089645 2.16597293 -2.65486873 0.96461992 -4.61105909 -10.15775814 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63612-50-0 4493 170465021 A Nilutamide FC(F)(F)c1cc(ccc1[N+]([O-])=O)N2C(=O)C(C)(C)NC2=O Tox21_110213_1 -NCGC00179578-03 196723407 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -43.8057752575 1.6264869485 -42.179288309 4.9549173134 0.8430173642 0.0027682225 0.34433174 0.46355877 -0.29922155 4.68608068 -1.12669404 3.20512641 -0.14251422 6.55784843 0.16767222 1.35669056 -5.87797057 6.62646398 -1.54497155 8.36499902 -39.10526201 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83919-23-7 441336 170464666 A Mometasone furoate ClCC(=O)[C@@]5(OC(=O)c1ccco1)[C@H](C)C[C@@H]3[C@]5(C)C[C@H](O)[C@]2(Cl)[C@@]4(C)C=CC(=O)C=C4CC[C@H]23 Tox21_110705_1 -NCGC00163771-03 196723413 tox21-ror-cho-viability-p1 set3 4 -0.49132953 3.11995585 -1.20375143 6.49755296 -4.57039297 1.98628741 8.76903835 6.14370528 0.63740563 1.01665641 11.21363613 5.26664346 -3.19755149 13.52373374 4.04108836 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00182710-02 196723415 tox21-ror-cho-viability-p1 set3 4 2.6603212004 6.729905464 -0.229905464 6.5 4.9549173134 0.4195571334 0.2544091206 -0.8516973 1.44339833 -0.24411889 -0.4014706 -0.07273848 1.16256885 -1.62554265 0.9273956 -4.77492122 7.79712297 -3.8259867 10.47729868 2.88696565 5.95491158 6.12993515 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 91503-79-6 3395 144206486 ND ND Flurbiprofen axetil Fc2cc(ccc2c1ccccc1)C(C)C(=O)OC(C)OC(C)=O Tox21_113023_1 -NCGC00357036-01 196723817 tox21-ror-cho-viability-p1 set3 4 2.6578655588 12.9163641959 -1.9163641959 11 1.4780888099 0.4056570498 0.2678007307 -2.14461312 -6.84923274 0.8646193 1.83618642 -0.23656363 -2.00484256 2.60493572 -2.58733521 0.30380734 -8.26363683 -4.57684108 -1.53981099 4.14125207 0.74856565 8.42682783 6.488E-11 1.451E-10 3.244E-10 7.2539999999E-10 1.622E-9 3.627E-9 8.1109999999E-9 1.814E-8 4.055E-8 9.0679999999E-8 2.028E-7 4.534E-7 0.000001014 0.0000022669999999 0.000005069 1719-58-0 519368 251919773 Fns Chloro(dimethyl)vinylsilane C=C[Si](C)(C)Cl Tox21_303724 -NCGC00090708-05 196730469 tox21-ror-cho-viability-p1 set3 -1.2 3.8570778872 -34.9887778724 0.59011408 -34.3986637924 2.7202212143 0.966180617 9.566E-7 -2.4147415 -2.45328957 4.84083717 -2.4087031 -0.3772525 2.5649007 2.0895088 0.18395348 1.05483166 -2.69075841 -14.71213875 -32.16781608 -39.25802203 -33.95383904 -29.10221874 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00258759-01 196730448 tox21-ror-cho-viability-p1 set3 4 0.0603853255 -5.450132308 6.5 1.049867692 0.8999999999 0.495318785 0.1853550624 1.3938945 8.85362794 9.771946 4.63519145 5.21646252 3.10310819 2.80839978 1.30730236 -1.20844359 2.21317148 -0.07577185 3.2861215 0.73922738 0.74913731 2.88741695 1.1679999999E-9 2.6129999999E-9 5.8419999999E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.4599999999E-7 3.2659999999E-7 7.3019999999E-7 0.0000016329999999 0.0000036509999999 0.000008164 0.00001826 0.00004082 0.00009128 79-31-2 6590 144208405 A A 2-Methylpropanoic acid CC(C)C(=O)O Tox21_201207 -NCGC00258776-01 196730453 tox21-ror-cho-viability-p1 set3 4 4.58649234 0.3591513 5.60965364 -2.52221002 -1.67884288 3.28309443 4.47504839 -0.59879884 0.86868061 -1.96280707 0.92659067 1.30602561 1.7183392 0.95367844 4.10416083 1.16E-9 2.594E-9 5.7999999999E-9 1.297E-8 2.9E-8 6.485E-8 1.45E-7 3.2419999999E-7 7.2499999999E-7 0.000001621 0.000003625 0.000008106 0.000018129999999 0.00004053 0.000090629999999 108-88-3 1140 144208422 FNS Toluene Cc1ccccc1 Tox21_201224 -NCGC00090986-03 196721579 tox21-ror-cho-viability-p1 set3 -3 69.008347349 -67.2844803672 -2.767347251 -70.0518276182 4.9549173134 0.9771214044 1.032E-7 -6.04375205 -3.01712876 -0.01634813 -3.86941618 -2.50725874 -3.01768042 -2.75004769 0.09265694 -2.48197735 -1.15845678 -3.38775857 -6.42329902 -2.8839192 -3.20473605 -57.58081557 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00254150-01 196720796 tox21-ror-cho-viability-p1 set3 4 5.9897993 8.17470588 11.28385394 -1.06774702 -0.37326168 -0.55495392 -5.12346162 7.94877058 -3.26668453 -4.59168055 9.16292798 -4.70614377 9.60592459 3.7650183 0.70489352 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 461023-63-2 6918686 144210531 A A Aplaviroc hydrochloride Cl.O=C(O)c1ccc(cc1)Oc2ccc(cc2)CN3CCC4(CC3)C(=O)N[C@@H](C(=O)N4CCCC)[C@H](O)C5CCCCC5 Tox21_300211 -NCGC00091532-04 196721190 tox21-ror-cho-viability-p1 set3 -2.2 61.8773215692 -52.0514260438 -4.443959417 -56.4953854608 2.3331733767 0.9388713965 0.0000250303 -8.19515704 -6.22818731 -3.91251571 1.64005973 -4.30305316 -6.74740122 -7.23483359 -6.14224682 -6.19511388 -0.97978907 -3.49214933 -7.13590282 -6.20532893 -18.85967058 -42.79953444 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00259278-01 196721578 tox21-ror-cho-viability-p1 set3 4 -3.48304567 -4.79794818 -3.39963573 -1.74061457 -7.48008797 -8.82965763 -9.58733863 -2.57223089 -7.21695236 -2.43487739 -2.36782682 -7.07865026 -7.48649809 2.11085385 -1.69652817 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.299E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.00001844 0.00004124 0.00009222 84-74-2 3026 144208927 A A Dibutyl phthalate O=C(OCCCC)c1ccccc1C(=O)OCCCC Tox21_201729 -NCGC00259674-01 196721584 tox21-ror-cho-viability-p1 set3 4 -4.82488615 2.10868905 -3.99243941 6.65231007 2.53904283 8.34908798 -3.4530668 -6.0628206 -14.5445164 -2.56632721 -1.82470512 7.89421296 -1.80075009 -2.92521843 -0.07505394 1.182E-9 2.644E-9 5.9109999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.305E-7 7.3889999999E-7 0.0000016519999999 0.0000036949999999 0.000008261 0.000018469999999 0.00004131 0.000092359999999 121-32-4 8467 144209323 A A 3-Ethoxy-4-hydroxybenzaldehyde CCOc1cc(ccc1O)C=O Tox21_202125 -NCGC00259109-01 196721590 tox21-ror-cho-viability-p1 set3 4 -7.8763552 -1.63729294 -8.26831502 2.36381863 -3.49563445 -7.60027657 -6.085236 -3.04853225 -4.20878628 -3.54644534 -2.62047 -4.47280084 -0.01100969 -2.00398048 -0.95966765 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.96E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 1825-21-4 15767 144208758 A Ac Pentachloroanisole Clc1c(OC)c(Cl)c(Cl)c(Cl)c1Cl Tox21_201560 -NCGC00258919-01 196721598 tox21-ror-cho-viability-p1 set3 4 -1.00792018 -5.29962143 -3.66690408 4.81165367 -1.37726952 -2.70357261 -2.38331218 -2.57325217 0.27052199 -1.40179638 -3.10957818 -2.89375838 0.7689033 2.87626015 -0.70951257 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.613E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.00001848 0.00004133 0.00009242 54-85-3 3767 144208565 A A Isoniazid O=C(NN)c1ccncc1 Tox21_201367 -NCGC00258912-01 196721599 tox21-ror-cho-viability-p1 set3 4 1.28066733 6.78198285 -4.88730677 -7.74287546 -0.66224656 -1.40322359 -0.26690296 -0.1847436 -0.19460928 2.89694551 0.84500001 -0.31097014 -2.43946351 3.20214756 -5.16482539 1.171E-9 2.618E-9 5.8529999999E-9 1.3089999999E-8 2.927E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.316E-7 0.0000016359999999 0.000003658 0.00000818 0.00001829 0.0000409 0.00009146 98-94-2 7415 144208558 FNS N,N-Dimethylcyclohexylamine CN(C)C1CCCCC1 Tox21_201360 -NCGC00259586-01 196721988 tox21-ror-cho-viability-p1 set3 4 135.3248060735 -26.5826627519 -2.5 -29.0826627519 0.7999999999 0.422880299 0.2502870696 -7.41502287 -1.4327729 0.41272383 6.52171265 -2.61688984 -5.5581693 -4.8743579 -4.82904189 -3.69301398 -2.60491147 -6.22041253 -6.14953948 -5.57683165 -1.55487422 -20.90221896 1.1689999999E-9 2.614E-9 5.844E-9 1.3069999999E-8 2.922E-8 6.5339999999E-8 1.461E-7 3.267E-7 7.305E-7 0.0000016329999999 0.000003653 0.000008167 0.00001826 0.00004084 0.000091309999999 88-06-2 6914 144209235 A A 2,4,6-Trichlorophenol Clc1cc(Cl)cc(Cl)c1O Tox21_202037 -NCGC00259812-01 196721990 tox21-ror-cho-viability-p1 set3 4 15.4021622344 -14.627793616 2.5 -12.127793616 2.3331733767 0.5336072034 0.1491362157 -7.24539725 -1.01109772 0.78150537 -1.14041868 6.51569395 7.085182 -0.64664876 0.70856966 8.00461461 9.50826482 2.23374247 1.68321654 -10.04197119 -5.34594779 -15.10649468 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004133 0.000092409999999 136-77-6 3610 144209461 A A 4-Hexylresorcinol Oc1cc(O)ccc1CCCCCC Tox21_202263 -NCGC00257476-01 196718284 tox21-ror-cho-viability-p1 set2 4 0.62780406 0.66759064 0.30104207 1.49004634 0.74448758 4.59012683 0.8567806 5.81732501 4.79079358 5.1899059 4.51080387 6.6881425 9.51672498 1.09883473 1.14545144 1.291E-9 2.886E-9 6.453E-9 1.443E-8 3.227E-8 7.215E-8 1.613E-7 3.607E-7 8.0659999999E-7 0.000001804 0.000004033 0.000009019 0.00002017 0.00004509 0.0001008 5743-28-2 54682536 144213842 F Calcium L-ascorbate dihydrate [Ca+2].O.O.OC=1C(=O)O[C@H]([C@@H](O)CO)C=1[O-].OC[C@H](O)[C@H]1OC(=O)C(O)=C1[O-] Tox21_303536 -NCGC00174007-04 196717861 tox21-ror-cho-viability-p1 set2 4 -0.46923458 -1.22650838 0.62010729 -2.01286936 -3.10592765 -1.25443862 -3.09430772 -3.01970087 -1.47826658 1.72191159 0.87442582 -2.03102839 0.2008372 -3.39224865 -0.23404334 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33401-94-4 6434144 170465676 A Pyrantel tartrate O=C(O)[C@H](O)[C@@H](O)C(=O)O.CN2CCCN=C2/C=C/c1cccs1 Tox21_113347_1 -NCGC00024665-10 196717867 tox21-ror-cho-viability-p1 set2 4 29.8492948118 -16.9475969719 -1.78340718 -18.7310041519 1.21 0.9017025641 0.0003038762 -2.9274529 -1.83251577 -1.50564468 -3.29009143 -2.61918063 -1.65740161 -1.6838102 -0.89052936 -0.23617265 -4.22437974 -1.54465798 -3.17071176 -5.17802431 -7.62395268 -13.94250346 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 20229-30-5 4106 170466339 A Metitepine CN1CCN(CC1)C2Cc4ccccc4Sc3ccc(SC)cc23 Tox21_110916_1 -NCGC00257029-01 196707775 tox21-ror-cho-viability-p1 set1 4 -0.65785009 -12.77722539 2.50399688 -17.82918505 -5.62997801 -15.82274798 -7.09236901 -17.52336228 -6.62895359 -5.55441266 -9.73783784 -17.51388496 -11.87525421 3.08727953 -5.31249485 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-84-2 8141 144213465 Fns Nonane CCCCCCCCC Tox21_303148 -NCGC00257294-01 196707375 tox21-ror-cho-viability-p1 set1 4 0.0108707225 -13.0069242079 -1.910560144 -14.9174843519 1.331 0.7999928154 0.0111831012 -3.98544599 -2.00880012 -4.75056179 -13.28819324 -8.29914129 -13.38501346 -16.29549408 -14.35616184 -16.74424856 -17.43123696 -13.03500863 -15.79330282 -13.65146089 -11.93933077 -2.1761715 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25564-22-1 117549 144213758 B Fns 2-Pentyl-2-cyclopenten-1-one O=C1CCC=C1CCCCC Tox21_303448 -NCGC00257375-01 196707781 tox21-ror-cho-viability-p1 set1 4 5.19670181 3.34323777 -0.61528135 1.81319208 2.04221315 0.2913647 -12.2361254 1.18893417 1.77415508 1.72416016 -13.36427058 4.05495347 -0.0636292 4.48930273 6.39037021 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-93-4 7469 144213907 A A 4-Hydroxyacetophenone O=C(C)c1ccc(O)cc1 Tox21_303602 -NCGC00015060-14 196707783 tox21-ror-cho-viability-p1 set1 4 0.28205737 1.34166899 -0.10535453 0.79624669 -1.90009751 1.25350637 3.66176372 2.80197956 1.87367107 1.33453169 2.01755611 7.84968257 0.21013052 0.217248 0.86399902 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00256804-01 196707788 tox21-ror-cho-viability-p1 set1 4 48.5577336745 12.4445105361 1.5554894639 14 0.7 0.5102606971 0.1712783553 3.73643266 2.25485352 -0.96949934 -0.37120636 1.60342847 1.44581317 4.41513147 -1.20375878 4.58572572 1.9158177 0.63247815 8.77246632 5.28406673 3.96878294 10.95436893 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 41519-23-7 5352539 144212947 Ac D (3Z)-Hex-3-en-1-yl 2-methylpropanoate O=C(OCC/C=C\CC)C(C)C Tox21_302630 -NCGC00256989-01 196707790 tox21-ror-cho-viability-p1 set1 4 0.0006858962 -17.924283776 0.936797048 -16.987486728 0.8999999999 0.3723028993 0.3013514558 -9.63600246 -14.35272134 -14.19765562 -15.4448668 -13.17342263 -16.89938188 -20.14555192 -21.26861212 -16.90081371 -15.61766749 -21.65623894 -15.48363101 -18.91117213 -13.74994193 -13.1142414 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 98-11-3 7371 144213448 A A Benzenesulfonic acid O=S(O)(=O)c1ccccc1 Tox21_303131 -NCGC00090910-03 196708192 tox21-ror-cho-viability-p1 set1 4 -3.22055359 4.58137883 1.41481216 0.49624179 1.67410361 2.40341227 0.16686251 1.3256322 0.25923117 0.63228848 4.30678117 7.30235636 -0.15161937 5.85696884 3.49115008 1.227E-9 2.7439999999E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008574 0.00001917 0.000042869999999 0.00009586 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00178069-05 196704485 tox21-ror-cho-viability-p1 set1 4 -0.71246926 -4.43099962 -0.12251247 -0.38324119 -4.61434696 0.52982746 0.50636591 -0.31992324 0.18010356 -2.18398868 -4.0530564 -4.02955895 0.51172401 -3.98326589 -7.784023 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14984-68-0 161104 170465832 A Cloperastine hydrochloride Cl.Clc1ccc(cc1)C(OCCN2CCCCC2)c3ccccc3 Tox21_110575_1 -NCGC00259894-01 196704068 tox21-ror-cho-viability-p1 set1 -2.2 30.4510110097 -44.0132088671 -1.622445597 -45.6356544641 2.4063783767 0.9467788266 0.0000118285 -2.62240436 -2.8965159 1.48361826 0.86476107 0.82531245 -1.08895459 -2.01817252 -8.19636571 -2.44527604 -4.23112652 1.12066777 -8.20512125 -7.44330999 -32.12929045 -44.74083771 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003667 0.000008201 0.00001834 0.000041 0.00009169 123-31-9 785 144209543 A A Hydroquinone Oc1ccc(O)cc1 Tox21_202345 -NCGC00021268-04 196704475 tox21-ror-cho-viability-p1 set1 -2.4 33.4914596268 -31.009714776 3 -28.009714776 4.9549173134 0.8830074375 0.0007006187 5.67382562 -0.06933753 5.08141437 -1.19476622 5.41602805 6.11089581 -0.08738852 5.35470541 0.51886285 4.90044927 1.60823113 1.79581313 1.65334514 0.1883502 -23.34142898 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 630-56-8 169870 170465210 A Hydroxyprogesterone caproate CC(=O)[C@@]3(OC(=O)CCCCC)CC[C@H]2[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_113502_1 -NCGC00253704-01 196704476 tox21-ror-cho-viability-p1 set1 -1.1 13.3331902297 -83.3686464214 -0.97035047 -84.3389968914 2.4063783767 0.9511992647 0.0000073535 -1.83207638 0.87106543 2.01821363 -0.97171876 0.29033272 -0.68323905 -0.2465704 1.13423347 2.00037708 -0.70799949 -13.76016467 -13.63187909 -12.32215379 -71.53441252 -82.68529107 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1458-18-0 73828 170466763 A A Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate Clc1nc(C(=O)OC)c(N)nc1Cl Tox21_113824 -NCGC00164546-02 196704486 tox21-ror-cho-viability-p1 set1 4 0.29242892 -2.82140371 0.82595282 0.30995061 -3.8745519 0.34684089 -2.53409381 0.23378457 -0.46515072 -4.16126982 -0.01319607 2.33330514 0.91056377 0.72657546 2.09338722 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 106560-14-9 65894 170466271 A Fropenem O=C2N1C(=C(S[C@@H]1[C@H]2[C@@H](C)O)[C@H]3CCCO3)C(=O)O Tox21_112175_1 -NCGC00258462-01 196702625 tox21-ror-cho-viability-p1 set1 -2.4 76.7240916596 -30.6247797439 -3.855013284 -34.4797930279 4.9549173134 0.8127518491 0.0060391896 -0.82048673 -4.11945716 -1.9852312 -2.02490661 -6.97523684 -0.71251107 -10.14690595 -1.25424732 -3.8786407 -8.6807216 -4.8613121 -4.73365638 -2.40398224 -3.8426505 -27.06649419 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.354E-7 0.0000016439999999 0.0000036769999999 0.0000082219999999 0.000018379999999 0.00004111 0.00009192 1219-38-1 14642 144208106 A A Octylparaben Oc1ccc(cc1)C(=O)OCCCCCCCC Tox21_200908 -NCGC00257604-01 196702217 tox21-ror-cho-viability-p1 set1 4 0.10837566 -8.64614622 -5.64624062 -14.29238684 3.0654483358 0.479782969 0.2138317356 -7.51714429 -4.28853385 -7.07060916 -5.213206 -5.88158545 -5.22526128 -12.08654115 -17.90476293 -21.4936557 -7.67638921 -16.36180162 -13.45562925 -4.38413675 -18.07929989 -9.0217776 1.177E-9 2.6319999999E-9 5.886E-9 1.316E-8 2.943E-8 6.5809999999E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.000003679 0.000008226 0.00001839 0.00004113 0.000091969999999 683-72-7 12694 144207248 A 2,2-Dichloroacetamide ClC(Cl)C(N)=O Tox21_200050 -NCGC00258187-01 196702218 tox21-ror-cho-viability-p1 set1 4 -3.68055334 -1.83733078 3.75304855 -0.06789767 -4.06894691 2.63267165 -3.26343213 -10.03473803 1.84118718 3.52830169 -2.01373883 6.28099273 -2.06800436 4.95960626 -2.61392882 1.241E-9 2.7739999999E-9 6.203E-9 1.387E-8 3.101E-8 6.935E-8 1.5509999999E-7 3.4679999999E-7 7.7539999999E-7 0.0000017339999999 0.0000038769999999 0.000008669 0.000019379999999 0.00004334 0.00009692 78-76-2 6554 144207831 AC F 2-Bromobutane BrC(C)CC Tox21_200633 -NCGC00244579-01 196702224 tox21-ror-cho-viability-p1 set1 4 27.3060203028 -19.032500908 4 -15.032500908 4.0949729863 0.9044061918 0.0002584354 0.43971026 0.88298167 3.58618922 5.36748092 3.41254092 3.96991624 4.5725122 6.79226639 6.01055327 3.8983666 7.7536499 1.39219755 1.11226006 -12.38135298 -15.02708409 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00024599-04 196698085 tox21-ror-cho-viability-p1 set1 4 1.49231085 0.7558065 -6.58527911 -2.06185312 -0.37456557 -1.96856057 -3.68686704 -2.15797772 -3.21073654 -2.14948406 0.45922212 -3.96990072 -0.85163948 -1.23817283 0.25428511 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1166-34-3 5475158 170466481 A Cinanserin CN(C)CCCSc2ccccc2NC(=O)/C=C/c1ccccc1 Tox21_110911_1 -NCGC00091886-04 196697672 tox21-ror-cho-viability-p1 set1 4 4.97143794 3.60108192 -1.85855324 -0.57530621 0.93183094 0.1344929 -1.12690131 3.21324657 4.47126607 4.25840215 -0.50830403 -1.1568482 3.31260103 7.63167891 3.2546431 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3734-33-6 19518 170464678 F Denatonium benzoate O=C(Nc1c(C)cccc1C)C[N+](Cc2ccccc2)(CC)CC.[O-]C(=O)c1ccccc1 Tox21_110754_1 -NCGC00183011-01 196698072 tox21-ror-cho-viability-p1 set1 4 1.17646262 -0.77002522 -1.94893125 1.29145384 -0.8686716 7.78660059 0.97222651 -2.36565338 -1.87575458 0.20408244 1.3836843 1.32290427 2.50886503 -2.47538383 -2.80808996 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123258-84-4 6918106 144206831 A C Itasetron CN4[C@@H]1CC[C@H]4C[C@H](C1)NC(=O)N2c3ccccc3NC2=O Tox21_113280 -NCGC00164486-04 196698084 tox21-ror-cho-viability-p1 set1 -2.1 29.8492948118 -92.7102751808 -4.500697264 -97.2109724448 3.0654483358 0.9679036128 7.116E-7 1.816842 -5.44534638 -5.26528021 -5.58463097 -2.34252779 -2.8809784 -0.35349068 -2.52481258 -9.10595626 -9.62836974 -8.05283057 -2.35333162 -12.83943673 -25.55527467 -78.19013064 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 579-23-7 11366 170466597 A Cyclovalone Oc1ccc(cc1OC)C=C3CCCC(=Cc2cc(OC)c(O)cc2)C3=O Tox21_112126_1 -NCGC00090702-02 196698086 tox21-ror-cho-viability-p1 set1 4 0.57141776 -2.73091467 -3.15883655 0.31016209 0.84039315 -0.20609972 0.13558508 3.30249847 0.75203541 -5.98494042 0.17633547 -2.18654532 0.5823281 0.76701558 3.57285567 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00254297-01 196698904 tox21-ror-cho-viability-p1 set1 4 12.1971512362 -20.118737512 1.5 -18.618737512 2.2526478767 0.880730811 0.0007681463 0.01707725 1.82306321 1.94875908 2.05138662 0.47438544 -0.42717711 2.98261169 2.928254 3.27301022 -1.41169689 -0.86687892 2.49221503 -18.43228126 -17.5450532 -16.53106453 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 368832-42-2 9888347 144210765 A A CP-728663 CC[C@H]4CC[C@H](NCc1cc3c(cc1OC)[C@H]2C[C@H]2C(=O)N3C)[C@@H](N4)c5ccccc5 Tox21_300447 -NCGC00254607-01 196698908 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -22.23992964 -0.5 -22.73992964 4.9549173134 0.4434879123 0.2305420472 3.58775913 -1.40977239 -1.28068638 0.92226034 -1.05815373 0.58295316 -1.45094691 -0.56365243 -16.12037884 2.48101933 1.16810038 2.62020057 -2.78632728 2.47679094 -17.2832747 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-41-3 7652 144211016 A Ac Benzyl cinnamate O=C(OCc1ccccc1)C=Cc2ccccc2 Tox21_300699 -NCGC00260132-01 196724244 tox21-ror-cho-viability-p1 set3 4 -10.65445191 -1.94730508 -6.90138291 -11.18514172 -6.37240437 0.88544495 -6.04385867 -6.93676837 -9.33636981 -5.53477845 -3.82289942 -1.55319611 -16.3803225 -10.15066874 -4.31550987 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.311E-7 7.405E-7 0.000001656 0.000003702 0.000008279 0.00001851 0.00004139 0.00009256 28300-74-5 16682736 144209781 F Antimony potassium tartrate trihydrate [K+].[K+].O.O.O.[O-]C(=O)C2O[Sb]3OC(C(O[Sb]1OC(=O)C2O1)C([O-])=O)C(=O)O3 Tox21_202583 -NCGC00260348-01 196724654 tox21-ror-cho-viability-p1 set3 1.4 0.0038335552 16.6382838319 -14.6382838319 2 0.5999999999 0.7623972203 0.016174771 -12.19856986 -4.22533248 -5.14574256 -3.93991664 -1.62876103 -1.75720692 2.24917112 -0.03852571 -0.54316975 3.78177875 0.64491209 -0.65807377 1.25954824 0.3546955 6.236917 1.1739999999E-9 2.625E-9 5.87E-9 1.3129999999E-8 2.9349999999E-8 6.5629999999E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003669 0.000008203 0.00001834 0.00004102 0.000091709999999 13706-86-0 26204 144210000 F 5-Methyl-2,3-hexanedione CC(=O)C(=O)CC(C)C Tox21_202802 -NCGC00168342-02 196724664 tox21-ror-cho-viability-p1 set3 4 0.0054150406 -16.09375112 10.5 -5.59375112 0.2 0.3486555559 0.3229676309 1.68971739 7.80800858 2.00500933 -0.06321946 -0.97201597 -0.33658703 -1.02343001 1.0495885 0.51944176 -0.90854093 -2.05410222 1.60057237 -11.7447926 -0.80963145 -2.43751483 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00256925-01 196718703 tox21-ror-cho-viability-p1 set2 4 -2.66619811 -0.46296448 0.57644891 -0.87380109 -2.28613138 0.90764951 1.0657891 -0.78662064 -2.16766888 1.28606087 -0.95871289 0.14628644 1.99295267 -1.48181041 0.77599732 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2469-55-8 17181 144213032 A A 3,3'-(1,1,3,3-Tetramethyldisiloxane-1,3-diyl)dipropan-1-amine C[Si](C)(CCCN)O[Si](C)(C)CCCN Tox21_302715 -NCGC00256352-01 196718704 tox21-ror-cho-viability-p1 set2 4 2.7306020303 5.3866830559 -5.3866830559 0 4.9549173134 0.4048704036 0.2688603031 -2.94935901 -4.82823507 -1.91755238 -7.18827347 -3.17016193 -12.82223588 -2.11529394 -5.17082321 -4.6522751 -10.49396086 0.74650802 -1.73496409 0.82823144 0.09989855 -0.88157976 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 61-82-5 1639 144213308 A Ac Amitrole Nc1ncnn1 Tox21_302991 -NCGC00256565-01 196718700 tox21-ror-cho-viability-p1 set2 -1.3 12.1971512362 -100.3116362171 4.1535916079 -96.1580446092 1.826479391 0.9941120202 0.1263341641 2.40305332 1.42160073 1.67904218 3.66050897 2.67848402 4.79259219 2.94203511 6.35675262 7.89294135 2.1914923 -4.16824732 -28.96271087 17.72599745 -89.03522649 -88.25551252 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-07-6 10793 144213126 F 1,3-Dichloropropanone ClCC(=O)CCl Tox21_302809 -NCGC00257120-01 196718701 tox21-ror-cho-viability-p1 set2 -2.2 54.4826732819 -44.4133052008 1.9440904204 -42.4692147804 3.1924983358 0.9637127137 0.0000014246 2.83998246 0.85284163 0.58240208 2.92546364 0.08630999 5.53545312 0.98933799 5.46642481 1.10407252 0.04817389 4.93248569 -0.49438662 0.74771033 -11.18784734 -35.58273847 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 644-97-3 12573 144213387 F A Phenyl phosphorus dichloride ClP(Cl)c1ccccc1 Tox21_303070 -NCGC00091009-05 196718711 tox21-ror-cho-viability-p1 set2 4 48.9356919594 -9.527631136 1.5 -8.027631136 3.9294729863 0.7141036632 0.0330775865 -1.33093013 3.72768317 -1.00329008 -0.11960909 2.74368284 2.0254621 3.01453402 2.17612299 1.0381728 2.58377289 2.81159397 2.25844004 1.61217572 -0.92254869 -7.10635928 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.00003772 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00256468-01 196718713 tox21-ror-cho-viability-p1 set2 4 3.40179606 2.95021914 2.52732185 5.20300001 1.59483239 2.68394736 2.06567851 2.20980684 5.40732841 1.99520033 10.17336877 -0.20506978 1.12842528 2.9180545 0.2574004 7.4319999999E-10 1.662E-9 3.716E-9 8.31E-9 1.8579999999E-8 4.1549999999E-8 9.291E-8 2.077E-7 4.645E-7 0.000001039 0.000002323 0.000005194 0.000011609999999 0.000025969999999 0.00005807 759-73-9 12967 144213066 F F 1-Ethyl-1-nitrosourea NC(=O)N(CC)N=O Tox21_302749 -NCGC00163735-04 196719107 tox21-ror-cho-viability-p1 set2 4 18.2677713757 -6.3768203759 0.5 -5.8768203759 1.221561 0.5073952908 0.1755780565 -1.30308527 -0.18861874 -0.18933368 -0.42542886 4.46102972 -0.15060759 -0.12011269 -1.59106475 4.82016962 -0.71689197 -1.54649851 -0.47266329 -3.48997954 -3.78858522 -5.31401698 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00256473-01 196719110 tox21-ror-cho-viability-p1 set2 4 -2.01552473 -0.42535587 5.28226962 -0.16043657 1.10773884 4.57283766 -2.23959401 7.37100941 -0.98373019 2.76189249 -3.40696944 3.22219424 1.2794952 -2.72384838 5.66298382 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-79-2 6498 144213134 A 3-Sulfolene O=S1(=O)CC=CC1 Tox21_302817 -NCGC00256857-01 196719121 tox21-ror-cho-viability-p1 set2 4 1.50794936 1.78329482 0.36178072 3.34420668 1.10878827 4.33658275 1.48493366 6.72518531 3.92258654 4.29815353 3.86765331 2.54272171 3.65919185 0.65309947 0.07392446 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13481-87-3 61631 144212876 A F Methyl 3-nonenoate O=C(CC=CCCCCC)OC Tox21_302559 -NCGC00256895-01 196719122 tox21-ror-cho-viability-p1 set2 4 -2.23895063 -3.42979988 -2.48020843 -1.38937228 2.29464755 1.17853854 0.5272292 2.09136503 -0.41765239 2.52959049 1.9491998 0.69384659 -1.4561178 1.4793428 2.73755435 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-12-9 31286 144212863 A A Octanenitrile CCCCCCCC#N Tox21_302546 -NCGC00256623-01 196719125 tox21-ror-cho-viability-p1 set2 4 -3.43487409 -3.0155421 -1.22227539 1.07896178 -4.80968442 -1.29446983 0.71354709 -0.69396309 -0.71706559 0.6309804 0.84848834 1.45233841 -4.70031733 0.72751266 -1.55501413 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3352-87-2 18783 144212794 A Ac N,N-Diethyldodecanamide CCN(CC)C(=O)CCCCCCCCCCC Tox21_302477 -NCGC00091205-03 196719130 tox21-ror-cho-viability-p1 set2 4 -0.86638123 -0.40064551 -2.63737311 0 1.36503458 -11.90744219 -5.16825532 -1.71642207 0.63393443 -2.28712373 -0.65431921 -2.53617564 -5.72488925 -4.71695971 -5.44504542 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00259075-01 196706549 tox21-ror-cho-viability-p1 set1 4 -4.90332104 -0.73584461 0.75021822 0.56814754 0.05015676 0.13704055 -5.32904759 -3.11283166 0.49457919 -1.93814384 -8.94737104 3.1134602 1.30122664 1.39318609 0.78039202 1.1919999999E-9 2.6649999999E-9 5.959E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.331E-7 7.449E-7 0.0000016659999999 0.000003725 0.0000083279999999 0.00001862 0.00004164 0.00009312 624-92-0 12232 144208723 Methyl disulfide CSSC Tox21_201525 -NCGC00259510-01 196706141 tox21-ror-cho-viability-p1 set1 4 -0.69257034 0.6282733 -11.08608233 -2.96120712 4.11068236 -8.51443531 -3.80863308 -4.73055467 -3.55995708 0 -0.05258285 -1.11876484 -10.72092505 2.83080866 -0.59146088 1.165E-9 2.6039999999E-9 5.8229999999E-9 1.302E-8 2.912E-8 6.51E-8 1.456E-7 3.255E-7 7.2789999999E-7 0.000001628 0.000003639 0.0000081379999999 0.0000182 0.00004069 0.00009099 131-17-9 8560 144209159 A A Diallyl phthalate O=C(OCC=C)c1ccccc1C(=O)OCC=C Tox21_201961 -NCGC00259638-01 196706148 tox21-ror-cho-viability-p1 set1 4 0.075942524 4.2168709719 -0.7168709719 3.5 4.9549173134 0.4741550984 0.2054212619 -0.81641471 1.01765149 -0.79173313 -1.43072581 -0.86619729 0.30582271 4.0111528 3.09052852 3.93035481 9.27358311 2.1824443 0.91573143 -0.07779684 3.20884651 3.90587276 1.167E-9 2.61E-9 5.836E-9 1.305E-8 2.918E-8 6.525E-8 1.459E-7 3.262E-7 7.295E-7 0.000001631 0.0000036469999999 0.000008156 0.000018239999999 0.00004078 0.00009118 105-87-3 1549026 144209287 A A Geranyl acetate C\C(C)=C\CCC(\C)=C\COC(C)=O Tox21_202089 -NCGC00259283-01 196706150 tox21-ror-cho-viability-p1 set1 -1.1 27.3060203028 -66.8266379386 2.5718330614 -64.2548048772 4.9549173134 0.9841537441 1.23E-8 4.02764496 4.56285552 -0.51181412 1.55096629 4.45291541 0.91182736 0.07343212 3.49760491 7.67926018 0 0.23731165 -0.44731362 -3.25871294 -60.5722648 -60.88407859 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 1918-16-7 4931 144208932 A B Propachlor CC(C)N(C(=O)CCl)c1ccccc1 Tox21_201734 -NCGC00259273-01 196706553 tox21-ror-cho-viability-p1 set1 4 -1.17412463 3.24842464 1.04539445 10.54274569 2.91173996 5.09605841 1.50785288 1.2133183 8.74821192 0 5.21764918 2.0603809 2.14082959 1.99865774 2.32361476 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.558E-8 1.466E-7 3.279E-7 7.3319999999E-7 0.0000016389999999 0.0000036659999999 0.000008197 0.00001833 0.00004099 0.00009165 192-97-2 9128 144208922 A A Benzo(e)pyrene c3ccc2ccc1cccc4c1c2c3c5ccccc45 Tox21_201724 -NCGC00259993-01 196706560 tox21-ror-cho-viability-p1 set1 4 -2.33850392 -1.3336683 -3.71701867 -0.56924432 1.25715306 -0.38260671 -2.7653485 1.2003499 -18.35013016 -1.98183656 1.68052605 1.3881779 -1.88404586 -4.05722628 -5.37136289 1.218E-9 2.723E-9 6.0889999999E-9 1.3619999999E-8 3.045E-8 6.808E-8 1.522E-7 3.4039999999E-7 7.611E-7 0.000001702 0.000003806 0.00000851 0.00001903 0.00004255 0.00009514 100-02-7 980 144209642 A A 4-Nitrophenol O=[N+]([O-])c1ccc(O)cc1 Tox21_202444 -NCGC00259372-01 196706571 tox21-ror-cho-viability-p1 set1 4 0.81046422 0.75742244 1.26974258 4.75601188 -0.26488651 -0.40459492 0.65797722 0.43202605 2.18071332 8.33431597 0.8192578 -0.07613272 1.40654755 -0.06439011 3.86930625 1.193E-9 2.6679999999E-9 5.9659999999E-9 1.3339999999E-8 2.9829999999E-8 6.671E-8 1.4919999999E-7 3.335E-7 7.458E-7 0.000001668 0.0000037289999999 0.0000083379999999 0.00001865 0.000041689999999 0.00009323 89-78-1 16666 144209021 B B dl-Menthol CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O Tox21_201823 -NCGC00257125-01 196706966 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -39.941874784 2.5 -37.441874784 4.9549173134 0.9248681089 0.0000747502 0.6496838 2.34547114 4.10614734 -0.90125604 2.33056766 6.2822295 1.71341946 -0.51000942 3.42163744 4.82946172 4.32880096 4.97689289 -2.18305987 0.13798687 -29.95156232 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 753-73-1 12955 144213454 A Dimethyltin dichloride C[Sn](C)(Cl)Cl Tox21_303137 -NCGC00256799-01 196707383 tox21-ror-cho-viability-p1 set1 4 2.49050377 -1.78374585 -2.06157404 1.64991274 -1.54226016 0.77898756 1.44810462 -0.43270248 -0.83374367 2.78990999 2.09974235 -1.47102965 2.06907288 -0.80951675 4.64946421 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 20665-85-4 539829 144212859 A A Vanillin isobutyrate COc1cc(ccc1OC(=O)C(C)C)C=O Tox21_302542 -NCGC00258260-01 196702839 tox21-ror-cho-viability-p1 set1 4 -6.1993928 -3.34185525 -8.72628321 -0.97169999 -15.67134368 -11.29926927 -14.26662129 -15.45015881 -8.25493865 -10.39138097 -7.4067555 -6.0434435 -13.7948524 -3.76649343 -11.03352679 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.00001889 0.00004225 0.00009447 591-27-5 11568 144207904 A A 3-Aminophenol Nc1cccc(O)c1 Tox21_200706 -NCGC00258234-01 196701599 tox21-ror-cho-viability-p1 set1 4 -5.74965891 -1.92113216 0.01535925 6.17127997 -7.35652368 6.36256005 -7.18248765 -2.2139587 -1.24885265 -7.91736939 -10.33048958 -6.07577696 -4.48304297 -5.72818238 -1.58957505 1.1989999999E-9 2.68E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.701E-8 1.4979999999E-7 3.351E-7 7.492E-7 0.000001675 0.000003746 0.0000083759999999 0.00001873 0.00004188 0.00009365 5131-66-8 21210 144207878 A A 1-Butoxy-2-propanol CC(O)COCCCC Tox21_200680 -NCGC00258458-01 196702429 tox21-ror-cho-viability-p1 set1 4 -9.26842769 -5.41713088 -6.45028665 -9.51855881 -0.82389363 -1.02008212 -9.47990874 -4.94185481 -4.88456836 -5.89668766 -9.0087279 -16.53686996 -3.57802756 -10.15915413 -8.5998615 1.1689999999E-9 2.6129999999E-9 5.844E-9 1.3069999999E-8 2.922E-8 6.5339999999E-8 1.461E-7 3.267E-7 7.305E-7 0.0000016329999999 0.000003652 0.000008167 0.00001826 0.000040829999999 0.000091309999999 2493-84-7 17231 144208102 A A 4-Octyloxybenzoic acid O=C(O)c1ccc(OCCCCCCCC)cc1 Tox21_200904 -NCGC00258155-01 196702831 tox21-ror-cho-viability-p1 set1 4 35.7441066133 8.3578430199 -0.3578430199 8 4.9549173134 0.6909753688 0.0432180847 -0.82888433 -2.20795958 -2.30305726 1.82879237 1.13006551 0.87992096 -0.03408758 2.07070309 0.68789309 -0.82513755 -1.23374882 0.3297308 -3.63153585 6.89769111 7.16302398 1.219E-9 2.7269999999E-9 6.097E-9 1.3629999999E-8 3.048E-8 6.816E-8 1.524E-7 3.408E-7 7.621E-7 0.000001704 0.0000038109999999 0.000008521 0.00001905 0.0000426 0.00009526 22113-87-7 159924 144207799 A A Methylammonium nitrate CN.[O-][N+](=O)O Tox21_200601 -NCGC00255447-01 196700270 tox21-ror-cho-viability-p1 set1 4 54.4826732819 -22.0544774679 0.5 -21.5544774679 3.9294729863 0.6847282482 0.0453760664 4.35484214 -0.49303151 1.89696517 4.25661437 -0.05705806 -3.58735763 2.88452585 1.93994931 -4.84993869 5.38368455 -2.28395818 -6.21082719 2.19709249 -5.32967083 -18.79539789 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1982-47-4 16115 144212219 A A Chloroxuron Clc2ccc(Oc1ccc(NC(=O)N(C)C)cc1)cc2 Tox21_301902 -NCGC00255694-01 196700672 tox21-ror-cho-viability-p1 set1 -2.2 24.3365162115 -44.84187274 -2 -46.84187274 0.7999999999 0.8917869632 0.0004765554 0.5891992 0.20961738 -5.42870123 -0.13004496 -2.11906635 -5.00688338 -4.75562063 1.83013272 -4.44018957 -10.1849399 -12.91470733 -11.75567636 -17.19621806 -37.7589945 -31.80496742 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 43210-67-9 3334 144212145 A A Fenbendazole O=C(OC)Nc1nc2cc(ccc2n1)Sc3ccccc3 Tox21_301828 -NCGC00255681-01 196700675 tox21-ror-cho-viability-p1 set1 4 0.37576785 0.34931189 0.82059559 0.888323 0.0457844 1.89481721 -0.78636501 -0.41637479 0.12992072 0.12824124 1.68447377 0.58406659 1.11446975 3.63059772 6.63060992 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5333-42-6 21414 144212611 A Fc 2-Octyl-1-dodecanol CCCCCCCCC(CCCCCCCCCC)CO Tox21_302294 -NCGC00256112-01 196700690 tox21-ror-cho-viability-p1 set1 4 3.04453596 -0.61381258 -0.10984365 1.3411739 -5.01283385 3.16286325 -9.81821938 1.85507416 -0.15384654 1.12668013 -3.41615692 -8.86946411 3.59684791 1.39929765 -3.77253155 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2524-64-3 75654 144211982 F A Diphenyl phosphorochloridate ClP(=O)(Oc1ccccc1)Oc2ccccc2 Tox21_301665 -NCGC00255902-01 196700692 tox21-ror-cho-viability-p1 set1 4 1.06925666 2.70754976 3.93426851 3.18638071 -1.6743946 1.05623578 1.93489914 4.27557719 4.82391033 4.13922577 -1.74183973 -0.22436168 2.33189625 -1.50955071 2.53155594 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14970-87-7 84733 144211799 Ac 2,2'-[Ethane-1,2-diylbis(oxy)]diethanethiol SCCOCCOCCS Tox21_301482 -NCGC00257533-01 196701090 tox21-ror-cho-viability-p1 set1 4 0.73684493 -3.55745793 -0.55123279 -2.37656089 -0.11102049 -4.69057002 0.77001834 -5.48953547 0.26333343 -2.3218808 -5.97180347 -0.28638721 1.571963 -0.41929503 2.46602839 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-14-1 757 144211615 A A Glycolic acid O=C(O)CO Tox21_301298 -NCGC00255251-01 196701111 tox21-ror-cho-viability-p1 set1 4 1.02683121 0.44848428 0.51465827 3.7042051 1.91045595 2.09955846 -0.65837898 5.95097442 -0.82619298 0.54670372 -3.3633492 5.88282058 -0.60826958 4.64283532 2.19753673 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6264-66-0 80434 144211848 C D 3,4,4'-Triaminodiphenyl ether Nc1ccc(cc1)Oc2ccc(N)c(N)c2 Tox21_301531 -NCGC00255705-01 196701113 tox21-ror-cho-viability-p1 set1 4 61.130564862 13.9454040839 -1.9454040839 12 3.2974983358 0.5977893007 0.0996647065 1.10700101 -2.5571676 -9.12117007 -2.23852668 -0.89470444 0.4297328 -0.1922983 -3.1993229 -1.10666211 -1.09261187 -1.34915766 -1.31119154 -1.05849013 0.99102113 9.01655727 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 497-76-7 440936 144212745 A A Arbutin Oc1ccc(cc1)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O Tox21_302428 -NCGC00258239-01 196701508 tox21-ror-cho-viability-p1 set1 4 0.0775069885 -7.585871568 -0.5 -8.085871568 4.9549173134 0.5895048912 0.10519771 -0.4756991 3.96173142 -1.97567169 -4.81661509 -0.3809189 -2.13395975 -12.57155964 -5.90055578 -4.72256714 -6.31703019 -9.33913745 -3.50184897 -8.37213346 -8.61002201 -11.6649211 1.187E-9 2.653E-9 5.9329999999E-9 1.327E-8 2.966E-8 6.633E-8 1.4829999999E-7 3.316E-7 7.416E-7 0.0000016579999999 0.000003708 0.000008291 0.00001854 0.00004145 0.0000927 102-16-9 60999 144207883 A A Benzyl phenylacetate O=C(OCc1ccccc1)Cc2ccccc2 Tox21_200685 -NCGC00025179-12 196698643 tox21-ror-cho-viability-p1 set1 4 29.8492948118 -19.9637614959 -2 -21.9637614959 3.5117481694 0.8557723864 0.0019038257 -3.1143277 -1.83536969 0.45240392 -0.5767403 0.58391558 -3.84787213 -3.49762744 -5.99792578 -2.60541365 -1.22627706 -1.93972213 -2.25998832 -0.17769022 -6.97946996 -18.30313458 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84371-65-3 55245 170465151 A Mifepristone CN(C)c1ccc(cc1)[C@H]5C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]4CCC3=CC(=O)CCC3=C45 Tox21_110952_1 -NCGC00249917-01 196698626 tox21-ror-cho-viability-p1 set1 4 29.8492948118 -8.530153328 3 -5.530153328 4.0949729863 0.4221509589 0.2545271189 1.87316062 8.17712939 5.7915572 3.67314426 0.12171988 0.41918795 4.75676186 4.86494563 2.11609346 2.14401223 1.90604559 0.58191813 1.8659472 1.44826319 -4.19179444 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 24166-13-0 2816 170465787 A A Cloxazolam Clc1ccccc1C34OCCN4CC(=O)Nc2ccc(Cl)cc23 Tox21_113693 -NCGC00181129-06 196698635 tox21-ror-cho-viability-p1 set1 -2.4 33.4914596268 -28.044158736 -1 -29.044158736 0.9999999999 0.7375629189 0.0235107136 0.49504088 1.83700987 2.89917079 -2.43775637 -3.16647005 -2.38264668 0.79199252 0.62118391 -6.7246999 -2.02578653 -1.29066323 -5.67838403 -9.25118867 -5.71917731 -20.87013228 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 302962-49-8 3062316 170465390 A Dasatinib Cc4cccc(Cl)c4NC(=O)c3cnc(Nc1nc(C)nc(c1)N2CCN(CCO)CC2)s3 Tox21_112736_1 -NCGC00254912-01 196699453 tox21-ror-cho-viability-p1 set1 4 9.6885416101 -20.5690055 0 -20.5690055 0.8999999999 0.8245744605 0.006650099 0.19436874 -2.65476577 0.89402072 0.96777912 0.45569608 1.41220184 0.46641569 -1.11413084 -1.80297948 -7.11794832 -7.61512382 -2.46579588 -16.36954931 -17.97417125 -1.00253089 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 219714-96-2 11784975 144211327 A A Penoxsulam FC(F)(F)c1cccc(OCC(F)F)c1S(=O)(=O)Nc2nc3c(cnc(OC)n3n2)OC Tox21_301010 -NCGC00015947-08 196698638 tox21-ror-cho-viability-p1 set1 4 -0.93480305 -2.59714692 -6.45975207 -1.11614239 -0.19457079 -6.8065273 -3.91746139 -6.43590402 -3.27662172 -5.06381077 -11.77534991 -5.42946207 -2.85229016 0.50783426 -0.03981816 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 115344-47-3 72124 170466829 A Siguazodan N#CN/C(NC)=N/c1ccc(cc1)C2=NNC(=O)CC2C Tox21_110264_1 -NCGC00091146-04 196699034 tox21-ror-cho-viability-p1 set1 4 27.3060203028 -15.376942408 -1.5 -16.876942408 4.9549173134 0.8444751659 0.0026755666 0.77328534 -0.21042293 -3.27503979 -0.67245904 -4.39626778 -0.9665922 -3.99633831 0.49626541 -0.45748792 -5.5094272 -2.92084201 0.13864467 -0.45738195 -16.98078534 -15.46790139 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00255039-01 196699041 tox21-ror-cho-viability-p1 set1 4 68.5896218971 15.78664502 0.21335498 16 3.6272481694 0.6380109923 0.0721990817 0.46914758 -0.81950021 -2.64037991 -0.64069062 -0.39526303 -2.73887085 -0.31239194 -1.53025368 1.27257289 7.05530366 0.02826995 1.10277387 1.76885786 2.1610591 11.87452728 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119515-38-7 125098 144211458 A A Icaridin CC(OC(=O)N1CCCCC1CCO)CC Tox21_301141 -NCGC00254170-01 196699883 tox21-ror-cho-viability-p1 set1 -3 61.130564862 -55.8284021671 -1.75927218 -57.5876743471 4.4494702849 0.9557020589 0.0000043228 0.48774174 -0.24823172 -5.1290798 -5.08973466 -1.11030958 0.1186469 -1.99997534 -0.35562157 -6.05922582 0.12980684 -5.90231093 0.51657112 2.52630184 -9.37392946 -50.06641996 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139340-56-0 6439420 144210522 A B Darbufelone mesylate O=C2NC(=N)S/C2=C\c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C.CS(=O)(=O)O Tox21_300202 -NCGC00254875-01 196699884 tox21-ror-cho-viability-p1 set1 4 3.33167572 0.91569092 2.30691295 0.29367089 1.0470562 0.28846808 0.81125705 -2.20030376 0.93763768 6.31295291 0.56128859 2.04114993 3.72416784 2.28221924 -0.67371103 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10420-33-4 112039 144211289 A A Dimethyl acetylsuccinate COC(=O)CC(C(=O)OC)C(C)=O Tox21_300972 -NCGC00256078-01 196700287 tox21-ror-cho-viability-p1 set1 4 1.7211414596 -17.837028196 -4 -21.837028196 0.7999999999 0.5466393979 0.1381323462 -13.95159567 -1.12809605 -2.92606864 -15.77922735 0.69076583 -1.41875696 -2.96313134 -3.59343804 -15.55013907 -14.60820706 -16.91640256 -13.45875414 -18.94403207 -21.53085683 -17.68652583 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 1189-08-8 70916 144211924 A A 1,3-Butyleneglycol dimethacrylate O=C(OC(C)CCOC(=O)C(=C)C)C(=C)C Tox21_301607 -NCGC00255440-01 196700294 tox21-ror-cho-viability-p1 set1 4 1.7228934059 4.2707515199 -0.7707515199 3.5 4.9549173134 0.310814187 0.3596539746 -0.51560844 -0.46088185 -4.8089596 -4.349755 3.98468435 0.63446178 0.93515598 -1.06251993 -0.71218809 0.26162518 8.37408051 3.72073882 -0.52920244 -0.77237559 7.10655513 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-63-4 7060 144212343 A Fns Quinaldine Cc1ccc2ccccc2n1 Tox21_302026 -NCGC00356991-01 196723974 tox21-ror-cho-viability-p1 set3 -2.2 54.4826732819 -58.5452500626 0.3239446899 -58.2213053727 2.3031167061 0.9310261631 0.0000475569 -5.20077063 2.65241074 2.47581104 0.62898417 2.21334169 -3.28958755 3.39103033 6.13835206 1.79260075 -1.82813803 -5.42093291 -2.89350592 -5.80415858 -17.21412842 -45.62220104 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1942-71-8 16033 251919882 A 2-(4-tert-Butylphenoxy)cyclohexan-1-ol CC(C)(C)c1ccc(cc1)OC2CCCCC2O Tox21_303920 -NCGC00253765-01 196723567 tox21-ror-cho-viability-p1 set3 2.2 11.8832183006 54.3366230447 -2.8197577319 51.5168653128 2.3531167061 0.9560709226 0.0000041225 -0.36473882 -2.11313459 0.42665087 -0.37694817 -3.77726047 -1.3856381 0.34150432 -0.7620309 -7.34979811 -5.62075516 -4.88994357 -1.54642883 19.02857356 33.69301743 57.60131108 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 92-54-6 7096 170466741 A Ac Phenylpiperazine c1cc(ccc1)N2CCNCC2 Tox21_113878 -NCGC00253727-01 196723569 tox21-ror-cho-viability-p1 set3 4 1.31939554 1.01596582 -1.28468058 -0.46125333 0.68011114 0.3916411 0.60388524 3.59980383 -0.43121885 4.05021034 10.27432978 1.3824734 -0.53160588 0.49744875 3.50398793 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7706-67-4 6445007 170466351 A A Dimecrotic acid COc1cc(ccc1C(/C)=C/C(=O)O)OC Tox21_113846 -NCGC00247681-01 196723571 tox21-ror-cho-viability-p1 set3 4 0.0113923541 13.9006944399 -12.4006944399 1.5 2.2526478767 0.6847995491 0.0550168721 -9.28877326 -12.71994503 -14.5005787 0 0 0 -1.26327659 0 7.1236507 4.99616746 3.9194034 3.9436311 -3.191148 -4.43007713 -10.35408159 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 911-65-9 13493 144206383 B B Etonitazene [O-][N+](=O)c2cc3nc(Cc1ccc(OCC)cc1)n(CCN(CC)CC)c3cc2 Tox21_112830 -NCGC00256238-01 196700339 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -14.0508918999 -1.5 -15.5508918999 4.9549173134 0.6236630886 0.0817363098 0.43075755 -3.52415313 -4.44440757 -0.46224401 -0.17284416 -5.60511363 0.82997584 1.14057802 -3.72570023 -3.47617927 -0.59438065 0.05587993 -0.043594 -1.53030216 -12.12574325 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13360-78-6 23672293 144212078 Ac Sodium bis(2-methylpropyl)phosphinodithioate [Na+].[S-]P(=S)(CC(C)C)CC(C)C Tox21_301761 -NCGC00260031-01 196704055 tox21-ror-cho-viability-p1 set1 -1.2 0.0594481513 -42.1142655959 0.7812554029 -41.333010193 1.372261 0.9390476681 0.0000245849 0.8182497 -1.01345069 2.3729902 0.81259597 -7.34691147 -12.43269377 -21.00613297 -34.39734983 -42.69960174 -37.50123027 -38.94510828 -41.10599901 -36.89238441 -33.60549146 -54.81445577 5.8899999999E-10 1.317E-9 2.945E-9 6.5859999999E-9 1.4729999999E-8 3.293E-8 7.3629999999E-8 1.6459999999E-7 3.6809999999E-7 8.232E-7 0.0000018409999999 0.0000041159999999 0.000009204 0.000020579999999 0.00004602 50-76-0 457193 144209680 A F Actinomycin D CC(C)[C@H]6NC(=O)[C@@H](NC(=O)c1ccc(C)c2OC3=C(C)C(=O)C(N)=C(C3=Nc12)C(=O)N[C@@H]5C(=O)N[C@@H](C(=O)N4CCC[C@H]4C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]5C)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]7CCCN7C6=O Tox21_202482 -NCGC00258756-01 196704057 tox21-ror-cho-viability-p1 set1 4 35.0766004072 -26.100883816 0 -26.100883816 0.6999999999 0.8670045653 0.0012958688 -2.6253844 0.93196397 -3.07726535 1.33255857 2.87815873 1.92927343 0.66557606 -2.04552064 -2.38484143 -1.01087526 -8.97589184 -5.24904869 -7.59795479 -14.63437384 -18.41740318 1.1999999999E-9 2.684E-9 6.001E-9 1.3419999999E-8 3.0009999999E-8 6.71E-8 1.5E-7 3.355E-7 7.5019999999E-7 0.000001677 0.0000037509999999 0.000008387 0.00001875 0.000041939999999 0.000093769999999 52806-53-8 91649 144208402 A A Hydroxyflutamide O=C(Nc1cc(c(cc1)[N+]([O-])=O)C(F)(F)F)C(C)(C)O Tox21_201204 -NCGC00260253-01 196704063 tox21-ror-cho-viability-p1 set1 4 0.905066 0.39458016 5.74558614 1.72597304 1.68927996 0.2004481 8.34946286 3.35768779 2.60650025 3.95185524 4.76607812 0.35519073 -2.02159506 4.69014356 1.04656235 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.6799999999E-8 1.494E-7 3.34E-7 7.468E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004175 0.000093349999999 69227-51-6 112264 144209903 A A 1-Ethyl-1-methylpyrrolidinium bromide [Br-].C[N+]1(CC)CCCC1 Tox21_202705 -NCGC00254940-01 196699524 tox21-ror-cho-viability-p1 set1 -2.2 21.6899429044 -73.439306669 5.176911809 -68.26239486 0.3 0.8834223424 0.0006851459 1.51694641 1.18008582 1.09182385 1.49133934 -10.5058169 -4.80130282 -7.99349626 -17.82820761 -15.35381535 -18.59076507 -19.04132532 -21.71752508 -25.18465103 -29.75201354 -51.7139355 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119168-77-3 86354 144211355 A A Tebufenpyrad Clc2c(C(=O)NCc1ccc(cc1)C(C)(C)C)n(C)nc2CC Tox21_301038 -NCGC00254858-01 196699931 tox21-ror-cho-viability-p1 set1 4 -4.09858117 -4.09320183 -4.87087015 0.86230167 -1.06198094 -0.25322022 0.07656833 0.47698779 -0.27239473 0.48012898 2.83701628 0.1276972 -0.66304413 -1.16740339 1.38199887 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-17-1 7980 144211273 A A Tetraethyleneglycol dimethacrylate O=C(OCCOCCOCCOCCOC(=O)C(=C)C)C(=C)C Tox21_300956 -NCGC00255938-01 196700338 tox21-ror-cho-viability-p1 set1 4 2.46110409 2.63408939 3.79936866 1.33732096 1.93574511 3.06537129 1.22075379 -0.22279888 0.37992532 3.99640876 2.22333087 1.7708844 3.28817321 0.08978146 -5.61053466 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60207-93-4 91673 144211885 A A Etaconazole Clc1ccc(c(Cl)c1)C3(Cn2ncnc2)OCC(CC)O3 Tox21_301568 -NCGC00255152-01 196700342 tox21-ror-cho-viability-p1 set1 -2.4 43.2771256911 -26.7791922039 -1 -27.7791922039 2.2526478767 0.7706947337 0.0139213994 1.81234593 -0.06989166 -3.18927437 1.4702872 2.29185505 0.85110772 -6.78528116 -4.04665544 -4.33849103 0.92739818 -7.43662074 1.50881754 -0.02018327 -16.67720529 -22.73266017 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84371-65-3 55245 144212158 A A Mifepristone CN(C)c1ccc(cc1)[C@H]5C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]4CCC3=CC(=O)CCC3=C45 Tox21_301841 -NCGC00255916-01 196700343 tox21-ror-cho-viability-p1 set1 4 0.54295863 0.04983644 0.26666953 0.10840644 -0.32311746 0.38961342 -6.13604131 0.94108049 -0.04069155 4.7874155 -3.38163572 1.17617604 0.40411768 3.7744621 -0.43147146 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2840-28-0 76092 144212441 A A 3-Amino-4-chlorobenzoic acid Nc1cc(ccc1Cl)C(=O)O Tox21_302124 -NCGC00255492-01 196700346 tox21-ror-cho-viability-p1 set1 4 -10.49410061 -3.03403864 -5.77307696 -4.71007472 0.80981331 -9.229559 -15.04410981 -8.32927747 -9.29367974 -14.49097064 -5.32309067 -12.44980368 -5.26645849 -2.55699041 -5.5748005 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 118-69-4 8368 144212366 Ac Fc 2,6-Dichlorotoluene Clc1cccc(Cl)c1C Tox21_302049 -NCGC00256260-01 196700349 tox21-ror-cho-viability-p1 set1 4 30.6378586933 8.8566240401 0.1433759599 9 2.1876167061 0.7603957522 0.0170075024 0.14095485 -1.66900692 -0.01412308 0.36709296 0.27915548 -2.7971867 2.02194341 3.28380579 -0.96706235 0.97101759 -0.56936871 0.0582226 2.95652839 5.59185596 8.59262513 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16251-77-7 85979 144212640 Ac F 3-Phenylbutyraldehyde CC(CC=O)c1ccccc1 Tox21_302323 -NCGC00164512-02 196697666 tox21-ror-cho-viability-p1 set1 4 -0.89744612 -0.9312967 0.72637508 -0.9358398 1.62983394 0.43042849 -0.29652209 1.47776132 0.35382394 0.09155657 1.5801644 0.31933965 1.7894154 -0.82631896 0.34049265 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 553-17-3 11104 170465684 A Guaiacol carbonate COc2ccccc2OC(=O)Oc1ccccc1OC Tox21_112147_1 -NCGC00090776-02 196723820 tox21-ror-cho-viability-p1 set3 4 -4.72773758 -1.86236886 3.02265952 3.24754439 2.43389563 5.17512079 11.70097229 9.00837264 -1.33336616 -1.03506842 0.41381821 -0.64232816 0.59638454 1.52473998 8.43484637 1.164E-9 2.6039999999E-9 5.822E-9 1.302E-8 2.911E-8 6.509E-8 1.4549999999E-7 3.255E-7 7.2769999999E-7 0.0000016269999999 0.000003639 0.000008136 0.00001819 0.00004068 0.000090969999999 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00274277-01 196697661 tox21-ror-cho-viability-p1 set1 4 -1.08532386 -1.09739333 0.25786919 0.9954324 1.14233215 -1.68162704 0.4509853 2.59248175 1.94448203 -2.68448868 -1.71510565 -0.51961591 -3.62974742 -4.42284511 -4.46287444 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35941-65-2 21772 170466439 A F Butriptyline CN(C)CC(C)CC2c3ccccc3CCc1ccccc12 Tox21_113980 -NCGC00015675-08 196697663 tox21-ror-cho-viability-p1 set1 4 -0.59542706 -0.75827279 -6.64603966 0.60653604 -1.1602749 -4.67725181 0.02361956 -2.90865397 -0.87154646 -3.56754875 0.53774514 0.57351977 -0.71617295 -2.20885726 -0.2624443 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00015727-10 196697667 tox21-ror-cho-viability-p1 set1 4 -0.08585736 0.98207915 6.24006717 0.79495995 0.71753965 -1.07796544 -0.23230237 0.97812673 6.78598876 6.17871835 6.07263661 7.94869927 0.20252359 -0.84848045 -0.98450342 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 32795-47-4 5358907 170466450 A Nomifensine maleate O=C(O)/C=C\C(=O)O.Nc3cccc1c3CN(C)CC1c2ccccc2 Tox21_111258_1 -NCGC00258940-01 196722190 tox21-ror-cho-viability-p1 set3 4 34.5161257776 17.32507812 0.17492188 17.5 3.5117481694 0.7599323369 0.0167233406 0.41447987 0.4124207 2.75366652 7.38195754 -3.1875651 -0.837847 -2.1562464 -2.65409016 -1.7795502 3.59625983 -3.16109211 0.31932581 -0.28494748 11.72101909 17.10334291 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.961E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.000003701 0.000008275 0.0000185 0.00004137 0.000092519999999 101-61-1 7567 144208587 A A 4,4'-Methylenebis(N,N-dimethylaniline) CN(C)c2ccc(Cc1ccc(cc1)N(C)C)cc2 Tox21_201389 -NCGC00259626-01 196722182 tox21-ror-cho-viability-p1 set3 4 27.5839434439 7.574504164 -4.074504164 3.5 4.9549173134 0.4068400792 0.2672531263 -7.97875347 -2.50918417 -0.49051795 3.47628854 -2.66240234 -4.81333788 -5.1298116 -5.76290492 -5.55432483 -3.27705014 -6.46773368 -4.93582089 -5.2771801 4.86441023 1.35041551 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.65E-8 1.487E-7 3.325E-7 7.4339999999E-7 0.000001662 0.0000037169999999 0.000008312 0.00001859 0.00004156 0.00009293 56-81-5 753 144209275 A A Glycerol OCC(O)CO Tox21_202077 -NCGC00259071-01 196722184 tox21-ror-cho-viability-p1 set3 4 1.5074654031 6.1311162479 -2.6311162479 3.5 4.4494702849 0.5157863422 0.1823908409 -2.44661045 1.43510958 -0.67447615 -2.00994334 -0.15241028 -5.51351741 -1.56854198 -6.93974733 -7.60926354 1.38672071 3.18122867 1.5808931 1.67521137 6.45452296 -10.23478112 1.162E-9 2.5969999999E-9 5.808E-9 1.299E-8 2.9039999999E-8 6.493E-8 1.4519999999E-7 3.247E-7 7.2599999999E-7 0.000001623 0.0000036299999999 0.000008117 0.000018149999999 0.000040579999999 0.00009075 117-79-3 8341 144208719 A A 2-Aminoanthraquinone Nc2ccc3C(=O)c1ccccc1C(=O)c3c2 Tox21_201521 -NCGC00259826-01 196722188 tox21-ror-cho-viability-p1 set3 4 0.0250559897 5.450650008 -4.450650008 1 4.9549173134 0.5545457498 0.1332883991 -5.85311712 -2.66227439 -2.11375627 -8.29220834 0.22987043 2.06850923 3.59723136 -1.86984028 -0.56636681 4.42565656 -2.44281924 2.60352775 -0.12024507 3.20271309 0.92353956 1.2089999999E-9 2.7039999999E-9 6.047E-9 1.352E-8 3.024E-8 6.761E-8 1.512E-7 3.381E-7 7.5589999999E-7 0.00000169 0.00000378 0.000008451 0.0000189 0.00004226 0.000094489999999 101-84-8 7583 144209475 A A Diphenyl oxide c1ccccc1Oc2ccccc2 Tox21_202277 -NCGC00253768-01 196722591 tox21-ror-cho-viability-p1 set3 4 0.26603212 5.9806006439 -0.9806006439 5 4.9549173134 0.5325644836 0.1512779091 2.0619219 -3.58222774 -0.10588135 0.20687088 -0.16922689 2.04623201 -3.73383387 -2.70017109 4.70429283 6.95818907 8.69082778 8.16717234 1.10074462 1.77829709 2.50431103 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7036-58-0 65591 170466484 A Ac Propoxate CC(c1ccccc1)n2cncc2C(=O)OCCC Tox21_113881 -NCGC00244579-01 196722609 tox21-ror-cho-viability-p1 set3 1.4 0.968854161 27.105475752 -10.605475752 16.5 3.0654483358 0.956439776 0.0000102604 -3.48036451 -9.80741589 -9.06956833 -13.17855515 -11.48318507 -13.82411702 -13.83789646 -7.56902285 -2.56611851 13.64895081 17.67274035 16.41146024 15.13636486 15.50401604 -1.72116867 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00015162-10 196723006 tox21-ror-cho-viability-p1 set3 4 0.6682424727 17.587929356 -3.587929356 14 0.9999999999 0.5925951157 0.1021177758 7.12513498 2.13004525 -8.27475154 -12.98994113 -9.26295435 -5.84125977 5.95407917 2.20110354 -3.84358453 10.40401428 11.07963864 9.90019313 9.49653465 9.95932643 19.76154352 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 36505-84-7 2477 170464909 A Buspirone O=C4CC1(CCCC1)CC(=O)N4CCCCN2CCN(CC2)c3ncccn3 Tox21_110092_1 -NCGC00080392-05 196723010 tox21-ror-cho-viability-p1 set3 2.2 33.4914596268 41.508429336 3.949026868 45.457456204 0.9999999999 0.6835828246 0.0458000364 2.45096545 7.58836196 9.5138668 6.77005854 13.27959065 6.01266574 -0.04247761 0.41279702 5.38295335 6.91492837 7.4738837 9.02597185 9.6099359 12.23639667 36.2328002 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 732-11-6 12901 170466810 A Phosmet COP(=S)(OC)SCN2C(=O)c1ccccc1C2=O Tox21_110993_1 -NCGC00257681-01 196730113 tox21-ror-cho-viability-p1 set3 4 0.995334 0.59421781 1.6702327 -1.31155603 0.95461664 0.30960564 -1.30775915 0.53933272 1.7404596 -1.5754086 0.83582994 2.76468679 1.81380591 1.91300508 -2.5328773 1.19E-9 2.661E-9 5.95E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003719 0.000008315 0.00001859 0.00004157 0.000092959999999 959-24-0 66245 144207325 A A Sotalol hydrochloride Cl.O=S(C)(=O)Nc1ccc(cc1)C(O)CNC(C)C Tox21_200127 -NCGC00258402-01 196730118 tox21-ror-cho-viability-p1 set3 4 -2.62957314 -2.71322269 -4.06623132 -2.13369548 -0.11766666 -3.06371655 -2.16021538 -2.7631384 -5.71176535 1.10473656 -2.29801085 -2.63603859 -0.43469243 -2.66541627 -3.67003547 1.118E-9 2.5E-9 5.59E-9 1.25E-8 2.795E-8 6.25E-8 1.397E-7 3.1249999999E-7 6.987E-7 0.000001562 0.000003494 0.000007812 0.000017469999999 0.00003906 0.00008734 6138-79-0 5284472 144208046 A A Triprolidine hydrochloride monohydrate Cl.O.Cc1ccc(cc1)C(=C\CN2CCCC2)/c3ccccn3 Tox21_200848 -NCGC00257817-01 196729717 tox21-ror-cho-viability-p1 set3 -1.3 3.4061853295 -120.7185616194 3.5845607994 -117.13400082 0.5 0.9761792684 0.1041900053 3.37080159 -1.35363399 4.80435549 -2.36432851 -2.21814242 -20.30443955 -25.00003233 -28.76524234 -33.88637915 -40.25822688 -50.45962685 -81.91811773 2.0238269 -95.27072387 -97.61166735 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.9279999999E-8 6.5479999999E-8 1.464E-7 3.274E-7 7.3209999999E-7 0.000001637 0.00000366 0.000008185 0.0000183 0.000040929999999 0.00009151 14324-55-1 26633 144207461 A A Zinc diethyldithiocarbamate [Zn+2].S=C([S-])N(CC)CC.CCN(CC)C([S-])=S Tox21_200263 -NCGC00258183-01 196730115 tox21-ror-cho-viability-p1 set3 4 9.8562788186 7.4063138559 -2.4063138559 5 3.9294729863 0.529673346 0.1538066738 0.45443625 -3.88753109 -0.58338869 -2.6058334 0.05609421 -4.08859488 -2.83892589 -2.67696262 -3.5083033 -1.0234254 -3.12035953 -1.91225018 10.48531996 -0.56854952 4.92598006 1.197E-9 2.676E-9 5.9849999999E-9 1.338E-8 2.992E-8 6.691E-8 1.496E-7 3.346E-7 7.481E-7 0.000001673 0.00000374 0.000008364 0.000018699999999 0.000041819999999 0.00009351 2905-62-6 76191 144207827 B F 3,5-Dichlorobenzoyl chloride Clc1cc(cc(Cl)c1)C(Cl)=O Tox21_200629 -NCGC00257781-01 196730130 tox21-ror-cho-viability-p1 set3 4 -1.88459044 -0.30464427 0.59574543 0.49899695 0.18851082 0.64805916 1.28477121 1.46598355 2.56919172 1.46865631 2.45773038 2.34565574 2.7160721 -0.09866933 1.74716441 1.1919999999E-9 2.6649999999E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004163 0.000093099999999 1562-00-1 517063 144207425 A A Sodium 2-hydroxyethanesulfonate [Na+].[O-]S(=O)(=O)CCO Tox21_200227 -NCGC00257794-01 196730134 tox21-ror-cho-viability-p1 set3 -1.1 12.1971512362 -100.9390547645 1.0600087409 -99.8790460236 2.2526478767 0.9710631529 3.951E-7 1.91931442 0.20708939 0.1210901 0.12788156 -0.3177515 -0.145565 -0.75793206 -2.06892963 1.22342687 -0.98347049 -2.20204149 -12.67243023 -84.27808003 -92.48059817 -89.52091763 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.299E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.00001844 0.00004124 0.00009222 506-61-6 10474 144207438 Potassium silver cyanide [Ag+].[K+].[C-]#N.[C-]#N Tox21_200240 -NCGC00091632-02 196730530 tox21-ror-cho-viability-p1 set3 4 30.6378586933 -13.0791293479 0.5 -12.5791293479 1.34431 0.9397517404 0.0000238602 1.4637927 -0.19344334 -1.08172928 0.4356512 1.00741837 0.18893082 1.695581 1.40416351 0.27337734 -0.54461809 -0.73769991 -2.19734275 -2.69884146 -7.11345073 -10.48260779 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00258634-01 196730534 tox21-ror-cho-viability-p1 set3 4 -0.1147325 -3.99828616 0.72168516 -0.04222943 -0.34568079 -0.30350451 -0.11732046 -0.36612002 -2.31708144 -0.09450732 0.39857062 1.7688252 0.80466387 -0.13395087 2.22499797 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 104-93-8 7731 144208279 A Fns 1-Methoxy-4-methylbenzene Cc1ccc(OC)cc1 Tox21_201081 -NCGC00258115-01 196730535 tox21-ror-cho-viability-p1 set3 -3 67.6142539768 -71.1497541913 0.514139442 -70.6356147493 4.9549173134 0.9835605398 1.52E-8 1.81446689 1.05630888 -1.04534849 -0.83978991 -1.42802707 0.11247263 0.54107901 -1.09364903 0.84584146 -1.39816101 1.77768243 0.86339658 1.18435042 0.92599474 -58.04413869 1.166E-9 2.6069999999E-9 5.83E-9 1.304E-8 2.9149999999E-8 6.518E-8 1.457E-7 3.259E-7 7.287E-7 0.0000016299999999 0.0000036439999999 0.0000081479999999 0.00001822 0.00004074 0.00009109 134-09-8 8633 144207759 A A Menthyl anthranilate O=C(OC1CC(C)CCC1C(C)C)c2ccccc2N Tox21_200561 -NCGC00258339-01 196730543 tox21-ror-cho-viability-p1 set3 4 0.0060633569 3.018667152 -2.018667152 1 4.9549173134 0.3247605047 0.3524035799 1.60103554 -6.26555596 -0.46183372 0.07896086 1.60833681 0.73422679 0.98806242 1.49783642 4.00948935 1.76999819 -0.13449988 0.23405161 2.0863648 0.11442579 1.02852632 1.172E-9 2.621E-9 5.8609999999E-9 1.31E-8 2.9299999999E-8 6.552E-8 1.465E-7 3.276E-7 7.326E-7 0.0000016379999999 0.0000036629999999 0.00000819 0.00001831 0.00004095 0.000091569999999 106-20-7 7791 144207983 A Fc 2,2'-Diethylhexylamine CCCCC(CNCC(CC)CCCC)CC Tox21_200785 -NCGC00256768-01 196718289 tox21-ror-cho-viability-p1 set2 4 -1.52356214 -0.07597493 1.52826233 -0.70271726 1.95821044 -0.1136595 3.15697902 4.53001082 0.29934801 0.04288118 -1.37088503 5.30226297 6.07958938 2.52660676 -1.24448608 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15619-48-4 85025 144212945 A A 1-Benzylquinolinium chloride [Cl-].c2cccc3ccc[n+](Cc1ccccc1)c23 Tox21_302628 -NCGC00168342-02 196717868 tox21-ror-cho-viability-p1 set2 4 1.3601966982 -6.3751110959 6 -0.3751110959 3.5117481694 0.5165165609 0.1648222643 7.42994534 0.31152781 0.74084025 7.74764267 10.57427934 2.59088845 9.15622811 7.80180798 8.38334985 0.83348105 -0.19178683 1.19069182 -1.56259258 -0.53883611 -0.17033756 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00257455-01 196718288 tox21-ror-cho-viability-p1 set2 4 1.95575227 2.10124553 1.62408762 3.02653454 0.15452074 8.74674496 1.72312139 8.38349711 4.76750437 2.30731867 6.43289448 4.07810199 5.02731984 2.55204229 1.83393924 9.0249999999E-10 2.018E-9 4.513E-9 1.009E-8 2.2559999999E-8 5.045E-8 1.1279999999E-7 2.523E-7 5.641E-7 0.0000012609999999 0.0000028199999999 0.0000063059999999 0.000014099999999 0.00003153 0.00007051 1405-86-3 14982 144213802 Ac Glycyrrhizin O=C(O)[C@H]7O[C@@H](O[C@@H]6[C@@H](O)[C@H](O)[C@H](O[C@@H]6O[C@H]2CC[C@]3(C)[C@H]4C(=O)C=C1[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]1(C)[C@]4(C)CC[C@H]3C2(C)C)C(=O)O)C(=O)O)[C@H](O)[C@@H](O)[C@@H]7O Tox21_303493 -NCGC00257237-01 196718290 tox21-ror-cho-viability-p1 set2 4 -3.51714017 -1.50472468 -6.89909008 2.32301531 -3.10060032 -7.40824476 1.0354669 -5.55484524 -6.25774322 0.87633962 -1.07312667 -6.84526729 -3.83357168 -7.00539518 -3.83452371 8.788E-10 1.965E-9 4.394E-9 9.826E-9 2.1969999999E-8 4.913E-8 1.099E-7 2.456E-7 5.493E-7 0.000001228 0.000002746 0.000006141 0.000013729999999 0.00003071 0.00006866 78491-02-8 62277 144213680 F F Diazolidinyl urea OCN1C(=O)N(CO)C(=O)C1N(CO)C(=O)NCO Tox21_303365 -NCGC00256440-01 196718293 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -48.0707555432 -0.898677542 -48.9694330852 4.9549173134 0.9024264788 0.0002850119 -5.59682883 1.34237547 -0.62835993 -0.11558399 0.53589068 -0.99729547 -0.9763285 -7.9633615 0.01384433 -6.82635809 1.10355373 3.5348444 -0.75409436 -0.80795292 -40.45193102 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135-88-6 8679 144213217 A A N-Phenyl-2-naphthylamine c1cc3ccccc3cc1Nc2ccccc2 Tox21_302900 -NCGC00257051-01 196718295 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -11.8265879959 1.5 -10.3265879959 4.9549173134 0.6799143485 0.0490881855 0.2436688 1.85622854 2.18510325 1.83352414 0.73506568 -0.67655157 1.29051308 3.37090086 1.24372457 2.14143326 5.86983688 0.57107428 0.92881589 1.8110405 -6.93882333 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-62-3 6978 144213506 A A 4-Methyl-2-nitroaniline O=[N+]([O-])c1cc(C)ccc1N Tox21_303189 -NCGC00256833-01 196718694 tox21-ror-cho-viability-p1 set2 -2.2 54.4826732819 -47.4837619689 2.878983903 -44.6047780659 2.3531167061 0.9562965109 0.0000040166 2.00252803 2.70330079 2.57854308 3.13407483 4.39453323 3.01953788 2.38275202 7.53470038 3.95211111 4.40969465 2.64148055 -2.48557811 -2.54481165 -10.44237984 -34.88562156 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-97-3 66760 144212789 A A 5-Chlorobenzotriazole Clc1cc2nnnc2cc1 Tox21_302472 -NCGC00257112-01 196718699 tox21-ror-cho-viability-p1 set2 4 0.91971704 1.76756801 1.10774428 2.68182602 0.20548944 2.24230307 -1.30912611 3.86593654 1.66575299 2.65121801 3.84969088 6.26235958 1.6771134 4.07722512 -0.53333952 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1563-38-8 15278 144213551 A A 2,3-Dihydro-2,2-dimethyl-7-benzofuranol Oc1cccc2CC(C)(C)Oc12 Tox21_303234 -NCGC00247695-01 196717061 tox21-ror-cho-viability-p1 set2 4 74.4190326907 -13.571215076 3 -10.571215076 4.0949729863 0.5174664816 0.1647467735 2.06697784 1.04768605 1.02498835 4.8346987 6.48239218 5.53301602 5.45118274 7.00904526 0.23075201 0.706961 1.27120744 -0.00104867 0.11716827 1.52526116 -7.14267923 1.2629999999E-9 2.824E-9 6.3139999999E-9 1.412E-8 3.157E-8 7.06E-8 1.579E-7 3.5299999999E-7 7.893E-7 0.0000017649999999 0.000003947 0.000008825 0.00001973 0.00004412 0.00009866 131690-45-4 60196323 144206398 A A cis-N-[1-[2-(2-Thienyl)ethyl]-3-methyl-4-piperidyl]-N-phenylpropanamide hydrochloride Cl.CCC(=O)N(c1ccccc1)C2CCN(CC2C)CCc3cccs3 Tox21_112845 -NCGC00258412-01 196715820 tox21-ror-cho-viability-p1 set2 4 34.1316760177 -11.248650944 1 -10.248650944 4.0949729863 0.8973633591 0.0003765971 0.70863637 0.82468448 2.24579423 -1.54295591 2.05873419 1.60009809 -0.02968666 2.2624132 -0.10544266 0.02205136 -0.34967714 1.94169905 -0.42516723 -6.78134483 -10.20720912 1.173E-9 2.6229999999E-9 5.865E-9 1.311E-8 2.9319999999E-8 6.557E-8 1.466E-7 3.2779999999E-7 7.3309999999E-7 0.0000016389999999 0.000003665 0.0000081959999999 0.00001833 0.00004098 0.00009164 4568-28-9 20701 144208056 F Triethanolamine stearate OCC[NH+](CCO)CCO.[O-]C(=O)CCCCCCCCCCCCCCCCC Tox21_200858 -NCGC00258470-01 196715830 tox21-ror-cho-viability-p1 set2 4 0.0240151347 4.6977679759 -3.6977679759 1 2.2481167061 0.4570644997 0.2211793748 -1.62686503 -2.26569977 -8.49813998 -0.76756289 -1.47990817 0.44695354 0.40732312 5.18877505 -0.59408976 1.6131891 0.21548569 -1.77627453 1.21583186 1.01117967 1.26141789 1.167E-9 2.609E-9 5.8329999999E-9 1.304E-8 2.917E-8 6.522E-8 1.458E-7 3.261E-7 7.2909999999E-7 0.0000016299999999 0.000003646 0.000008152 0.00001823 0.000040759999999 0.00009114 625-69-4 12262 144208114 A I 2,4-Pentanediol CC(O)CC(C)O Tox21_200916 -NCGC00015067-14 196704899 tox21-ror-cho-viability-p1 set1 4 -1.68960042 0.95772812 5.49409039 1.96286915 -1.46705198 0.32030855 -0.32378704 -1.64715964 0.37707949 0.37259749 -1.70621845 -0.64917294 -0.29301314 -0.02325857 2.07863192 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-78-2 2244 170465039 Z Aspirin O=C(C)Oc1ccccc1C(=O)O Tox21_110076_1 -NCGC00263461-01 196704892 tox21-ror-cho-viability-p1 set1 4 -1.9028797 -1.35716558 -0.98980404 -0.73857449 -3.31175874 -0.18499688 0.99271896 -3.24414652 -4.85063536 -6.07923923 -2.74799505 -1.98496716 1.07276419 1.11698743 2.49131457 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16595-80-5 27944 170465293 A Levamisole hydrochloride Cl.N1=C3SCCN3C[C@@H]1c2ccccc2 Tox21_111282_1 -NCGC00166134-02 196704900 tox21-ror-cho-viability-p1 set1 -3 33.4914596268 -97.0027693243 1.031947061 -95.9708222633 4.9549173134 0.9769879265 1.066E-7 -0.24026884 -1.1372697 -5.15645566 1.68559124 2.29585085 -1.29952335 -0.17089351 3.47455875 5.49559758 -0.29407191 0.96824392 2.43015134 0.130167 0.06633549 -84.18493181 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 313-06-4 9403 170464789 A Estradiol cypionate Oc4cc5CC[C@@H]1[C@H](CC[C@]2(C)[C@H](CC[C@@H]12)OC(=O)CCC3CCCC3)c5cc4 Tox21_112331_1 -NCGC00015238-13 196704902 tox21-ror-cho-viability-p1 set1 4 2.31728811 -1.16116791 -0.48944663 -2.23026085 -3.92781723 -1.39272247 -4.19824607 -3.31378864 1.77850244 -0.89451211 -3.35349882 -4.61329117 0.60575691 -4.20276674 -4.19326507 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 95-25-0 2733 170464957 A Chlorzoxazone Clc1cc2NC(=O)Oc2cc1 Tox21_110105_1 -NCGC00262951-01 196704909 tox21-ror-cho-viability-p1 set1 4 16.7854920005 8.30346622 -2.30346622 6 2.3331733767 0.4495452884 0.2271837959 -5.38644509 -1.79399639 -5.50184632 0.46698494 -2.22456219 1.07301093 0.17751815 1.63585264 -4.59745684 -2.42855196 -6.08622185 -0.10430883 -2.17950342 3.72688519 5.06416919 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1609-66-1 259381 170466676 A A Norfentanyl O=C(CC)N(C1CCNCC1)c2ccccc2 Tox21_113943 -NCGC00262965-01 196705302 tox21-ror-cho-viability-p1 set1 4 0.05606333 1.23548967 1.60778027 -3.1072848 1.31883135 -0.08132214 2.94196478 6.82018594 -3.10880163 -4.4559768 2.40593975 5.51496092 0.62060356 2.27043095 -6.73592313 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 18174-58-8 28931 170466482 A A Pipoxolan hydrochloride Cl.O=C2OC(CCN1CCCCC1)OC2(c3ccccc3)c4ccccc4 Tox21_113956 -NCGC00255919-01 196701171 tox21-ror-cho-viability-p1 set1 4 1.73779782 0.07849279 1.95368997 0.39727872 0.91578597 -3.75122664 2.00227103 2.03497888 0.16750883 9.53330178 -0.2630831 1.71718141 5.53293277 1.38882041 4.69655682 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13361-34-7 96359 144212461 A C 2-Ethylhexyl cyanoacetate O=C(CC#N)OCC(CCCC)CC Tox21_302144 -NCGC00255147-01 196700770 tox21-ror-cho-viability-p1 set1 4 0.0085868 -0.26149013 0.02896118 -1.05202045 4.78265005 3.79385668 0.73617379 4.61698803 -3.20970668 2.9903236 0.68404304 4.12470003 0.3959986 -4.98163089 -0.49991227 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2855-19-8 17858 144211977 A 1,2-Epoxydodecane CCCCCCCCCCC1CO1 Tox21_301660 -NCGC00256232-01 196701168 tox21-ror-cho-viability-p1 set1 4 1.00599377 -0.75406268 1.94562263 -0.30613677 0.45458287 1.73771054 0.24469187 1.16395556 1.09578969 2.05375573 0.66333228 0.33127802 -0.62556939 1.50831155 0.68872458 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 824-72-6 69990 144211811 F F Phenylphosphonic dichloride ClP(=O)(Cl)c1ccccc1 Tox21_301494 -NCGC00255661-01 196701169 tox21-ror-cho-viability-p1 set1 4 0.85174814 1.27498046 -0.46529268 0.52218214 0.76152422 -3.8119616 -5.85044898 0.6025747 -0.59871741 1.49115076 0.68472058 0.1293473 2.0778715 0.66942275 1.93999687 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51803-78-2 4495 144212167 A A Nimesulide [O-][N+](=O)c2cc(Oc1ccccc1)c(cc2)NS(C)(=O)=O Tox21_301850 -NCGC00255677-01 196701174 tox21-ror-cho-viability-p1 set1 4 -0.80537073 -0.01866077 0.16938128 -8.07618016 0.51774702 -0.44812799 0.78541242 -0.76582959 1.39514343 2.57735129 1.15491076 1.12032692 0.29524363 -0.43330684 1.39319091 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 35661-60-0 1549133 144211812 A A N-(9-Fluorenylmethoxycarbonyl)-L-leucine O=C(O)[C@H](CC(C)C)NC(=O)OCC3c1ccccc1c2ccccc23 Tox21_301495 -NCGC00256061-01 196701177 tox21-ror-cho-viability-p1 set1 4 27.3060203028 -13.1049559 0.5 -12.6049559 0.6999999999 0.5134313757 0.1854298897 0.24934268 2.1505584 0.44511532 -2.4976951 0.38621481 1.59119957 -0.82801543 -1.20377773 -0.98011583 2.12978297 -3.1072777 -7.44431721 -0.42009955 -8.83746325 -0.24356861 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2612-29-5 102293 144211579 A A 2-Ethylpropane-1,3-diol CCC(CO)CO Tox21_301262 -NCGC00254933-01 196699339 tox21-ror-cho-viability-p1 set1 4 1.23937584 1.97834885 2.47801142 0.73912996 -0.0908273 0.59524433 3.21702214 -0.3060702 -1.21816257 2.35246236 -2.06669752 1.09015356 -0.87882774 0.6882133 -0.50087034 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-85-1 7778 144211348 C 3,7-Dimethyloct-6-en-1-yl formate C\C(C)=C\CCC(C)CCOC=O Tox21_301031 -NCGC00254259-01 196698915 tox21-ror-cho-viability-p1 set1 4 -1.29715059 0.3218532 -2.99697342 1.44687832 0.06326953 -0.00106593 0.17124144 -0.56453058 1.19173916 3.09289531 1.33523473 2.3440995 3.94750535 3.10163676 4.7672323 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6915-15-7 525 144210690 A A Malic acid O=C(O)C(O)CC(=O)O Tox21_300372 -NCGC00254982-01 196698917 tox21-ror-cho-viability-p1 set1 4 1.18238314 2.20319627 -4.44051711 0.76021189 1.03907064 0.01393344 -3.47017081 -0.22493074 -0.99362523 0.52787826 1.15764175 2.74125467 0.19280202 -2.18704758 0.22186362 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-37-3 7749 144211398 FNS Ethyl propionate CCC(=O)OCC Tox21_301081 -NCGC00163927-04 196699321 tox21-ror-cho-viability-p1 set1 4 -3.15453207 -5.022261 -7.95768172 -2.65908183 0.22738809 0.24365785 -2.01578484 0.22428279 -4.06657326 -3.2645651 -0.64927128 -3.26352066 4.13467426 -3.56399498 -1.72746351 1.203E-9 2.6889999999E-9 6.014E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003759 0.000008404 0.000018789999999 0.00004202 0.000093959999999 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00254038-01 196699340 tox21-ror-cho-viability-p1 set1 4 0.15718567 1.43786665 3.04517578 0.13204432 1.08840407 1.63046504 -0.58900789 0.06660881 -1.53152738 -0.47586605 -0.61552974 0.26099324 0.32558282 -1.40721565 2.73677581 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55-98-1 2478 144210637 D Busulfan O=S(C)(=O)OCCCCOS(C)(=O)=O Tox21_300318 -NCGC00262907-01 196697683 tox21-ror-cho-viability-p1 set1 4 -1.49518216 0.07563021 -4.18847443 -9.89097008 -3.35269124 0.36193775 -1.14071925 0.03940679 0.35253633 -3.23603014 -2.10824468 -0.18266945 -1.63821393 -0.46535152 -0.52010471 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 202189-78-4 185460 170466329 A Ac Bilastine O=C(O)C(C)(C)c4ccc(CCN1CCC(CC1)c3nc2ccccc2n3CCOCC)cc4 Tox21_113905 -NCGC00018204-13 196723425 tox21-ror-cho-viability-p1 set3 4 0.43756571 2.61931493 -19.41881946 -14.75641268 -1.75603251 -4.94613147 -4.68844423 -3.14220116 1.52858783 0.32324923 -0.53744629 1.82371442 -0.60764225 1.23443144 0.97798952 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 42971-09-5 443955 170465859 A Vinpocetine O=C(OCC)C1=C[C@@]5(CCCN4CCc3c(n1c2ccccc23)[C@@H]45)CC Tox21_110648_1 -NCGC00260552-01 196723839 tox21-ror-cho-viability-p1 set3 4 0.0016785492 8.7558043519 -6.7558043519 2 4.9549173134 0.4030137644 0.2868376827 -5.2781219 -6.87983696 6.77374461 1.40356438 -5.2283409 7.73948251 1.67227848 4.65182991 -2.65519556 1.33875419 0.70904352 3.53891552 2.66064984 2.03412709 -0.23032232 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49448 144210205 M M NTP Mix60 CT1 62-EQP Tox21_203007 -NCGC00260591-01 196723861 tox21-ror-cho-viability-p1 set3 4 -12.18574924 -7.82050547 -3.5531582 -7.50736057 -4.082058 -7.19266317 -0.7238273 -1.00775428 -1.19176554 -12.4378264 3.97013859 2.00125296 -3.5611735 -7.45390434 5.67111006 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49487 144210244 M M NTP Mix47 CT1 3-EQP Tox21_203046 -NCGC00165907-03 196697684 tox21-ror-cho-viability-p1 set1 -3 29.8492948118 -73.9041778608 0.5443591769 -73.3598186839 4.9549173134 0.9732663716 2.518E-7 0.84922735 3.83989266 3.34605916 -4.31703039 -0.18252593 1.09370956 1.16525076 3.34664836 0.25145419 1.51184285 -0.35936687 3.22859265 -6.8844325 -9.25925891 -65.71651557 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 78-41-1 6536 170466640 A Triparanol Clc3ccc(CC(O)(c1ccc(C)cc1)c2ccc(OCCN(CC)CC)cc2)cc3 Tox21_112268_1 -NCGC00185744-02 196697692 tox21-ror-cho-viability-p1 set1 4 0.0237101377 4.5061141839 -4.5061141839 0 4.9549173134 0.4218742547 0.2711317917 -3.18969156 -3.89430466 -4.82883131 -2.2632198 -7.92176182 1.07868533 2.41221779 1.23342557 -4.95609165 0.97980411 -3.82779367 0.08570029 0.45944056 1.06937552 -4.18666765 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2508-79-4 17276 170466856 A Methyldopate hydrochloride Cl.Oc1ccc(C[C@](C)(N)C(=O)OCC)cc1O Tox21_110525_1 -NCGC00167441-02 196698517 tox21-ror-cho-viability-p1 set1 4 0.7497803863 -4.2729212239 1 -3.2729212239 4.9549173134 0.4904591287 0.2070716602 0.33644524 3.81240601 0.09534939 -2.60429796 4.44959396 -0.10240227 0.12626568 2.22376522 0.90254789 -1.35205233 -3.44910802 -6.89410102 -0.40130396 -3.0028161 -0.3901265 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104632-26-0 119570 170465264 Z Pramipexole hydrochloride CCCN[C@@H]1Cc2sc(N)nc2CC1 Tox21_112445_1 -NCGC00182074-03 196698523 tox21-ror-cho-viability-p1 set1 4 1.90745687 0.64386118 2.92901189 2.07326427 3.49556251 4.83249997 1.05053533 1.37980486 -0.39920199 1.40916858 1.16703509 4.2857894 0.67884756 0.54943115 -1.08958433 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27959-26-8 34081 170465790 A Nicomolol O=C(OCC4(COC(=O)c1cccnc1)CCCC(COC(=O)c2cccnc2)(COC(=O)c3cccnc3)C4O)c5cccnc5 Tox21_113136_1 -NCGC00090987-03 196724391 tox21-ror-cho-viability-p1 set3 4 0.0019331182 13.298171084 -8.798171084 4.5 0.5 0.3381256399 0.3328294575 -5.27220327 0.06575602 1.94768534 -0.51192437 5.65199329 -5.66514257 7.52612795 2.24430641 5.36357653 0.90448863 7.97340618 3.81406799 6.99081051 1.63506676 3.54664711 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00260142-01 196724394 tox21-ror-cho-viability-p1 set3 4 -1.45392871 0.05957994 6.62208074 0.64289237 -1.77493883 2.36161831 0.1869759 -1.37517619 0.8089374 1.18015793 1.3046755 1.10443113 4.34900247 1.32242594 0.85701866 5.811E-10 1.299E-9 2.906E-9 6.497E-9 1.4529999999E-8 3.2489999999E-8 7.264E-8 1.6239999999E-7 3.632E-7 8.122E-7 0.000001816 0.000004061 0.00000908 0.0000203 0.0000454 10101-97-0 5284429 144209792 Nickel(II) sulfate hexahydrate O.O.O.O.[Ni+2].O.O.[O-]S([O-])(=O)=O Tox21_202594 -NCGC00254814-01 196699640 tox21-ror-cho-viability-p1 set1 4 1.29132212 0.05363106 -1.61052963 0.31453247 -0.11252693 -0.4819104 -2.04224088 -0.12868958 -0.47152995 1.05401839 0.75389609 -1.51117063 0.60460844 -0.36421147 -1.14035546 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18181-70-9 28935 144211227 Iodenphos Clc1cc(I)c(Cl)cc1OP(=S)(OC)OC Tox21_300910 -NCGC00254244-01 196699643 tox21-ror-cho-viability-p1 set1 -3 62.8417040508 -91.2764514205 -1.345673919 -92.6221253395 4.9549173134 0.9911271491 4E-10 -3.13510944 1.77251273 0.45729472 -1.26720029 -0.40722048 -0.7481381 -3.27518594 -1.71545052 -2.55757806 -2.8115181 -3.66208149 0.07847028 -0.63048848 -4.86090528 -76.68422646 1.097E-9 2.4529999999E-9 5.486E-9 1.2269999999E-8 2.7429999999E-8 6.133E-8 1.371E-7 3.0669999999E-7 6.857E-7 0.0000015329999999 0.0000034289999999 0.000007667 0.00001714 0.000038329999999 0.000085709999999 NOCAS_47381 11477651 144210790 A A AVE8923 Cl.CCCOc1sc(c(C)c1Br)C(=O)N2CCC(CC2)c3cc(CN)ccc3F Tox21_300472 -NCGC00254610-01 196698821 tox21-ror-cho-viability-p1 set1 4 -0.36095431 -1.16116109 -0.1304489 0.4813421 -3.32581895 1.7282614 -0.82778705 -5.20884305 -5.6852191 -13.08703579 3.82926049 1.78356436 -5.63108666 -4.01547808 -8.12762083 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1014-70-6 13905 144211019 A A Simetryn CSc1nc(NCC)nc(NCC)n1 Tox21_300702 -NCGC00254494-01 196699637 tox21-ror-cho-viability-p1 set1 4 61.130564862 -18.54896814 0.5 -18.04896814 3.2474983358 0.8192859569 0.0052339778 1.67498535 0.23951004 -2.38393209 -0.60025632 -2.01618074 0.25447283 2.39600431 3.07930093 -0.80147503 1.74501534 -0.54895246 4.14612835 -0.87196761 -3.57864881 -14.20747345 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 289716-94-5 9861124 144210762 A A CP-607366 Clc2ccc(Oc1ccc(F)cc1CNC)cc2Cl Tox21_300444 -NCGC00253945-01 196699644 tox21-ror-cho-viability-p1 set1 4 38.5707788719 -13.85500068 0.5 -13.35500068 2.3331733767 0.7640713504 0.0157683803 -1.74047026 -1.25815777 1.32271062 0.51175229 0.58755594 0.07514779 -0.5539229 -1.02198989 6.6408573 -0.5279937 0.43428441 -0.66285807 -0.41271095 -7.4060153 -11.5458339 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 49562-28-9 3339 144210471 A A Fenofibrate O=C(c1ccc(Cl)cc1)c2ccc(OC(C)(C)C(=O)OC(C)C)cc2 Tox21_300151 -NCGC00091643-08 196699649 tox21-ror-cho-viability-p1 set1 4 -1.8493707 0.25988791 0.75241031 -1.81287604 -1.23873672 1.30259342 0.67414932 -1.05624956 -0.7192576 -1.61638485 0.2743641 -0.83368466 -55.88834612 -2.37516543 0.97004131 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00254089-01 196699654 tox21-ror-cho-viability-p1 set1 4 1.66568738 2.74819276 2.96609123 -1.53341105 2.63275433 1.9077231 -2.03887183 -1.5578684 0.40960365 0.39683103 0.72075082 0.35239539 0.79499764 0.90674958 -1.62317985 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 864283-48-7 11472813 144210540 A A GSK232420A NC(=O)CN(CC(F)(F)F)c1cc(c(cc1)C#N)C(F)(F)F Tox21_300220 -NCGC00254967-01 196700055 tox21-ror-cho-viability-p1 set1 4 -1.45123186 1.15613275 0.73480861 1.24930759 1.98949066 2.08374845 1.23208279 -0.25229476 1.29430218 -1.73928659 -0.17976882 -2.4040125 -1.4477604 2.19776996 0.93936086 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24310-41-6 90462 144211382 F F 3-(Chloromethyl)-1,2,3-benzotriazin-4(3H)-one O=C1c2ccccc2N=NN1CCl Tox21_301065 -NCGC00255803-01 196700071 tox21-ror-cho-viability-p1 set1 -2.2 19.3311819617 -60.8961003682 -1.354493101 -62.2505934692 1.0999999999 0.9904298135 6E-10 -3.67467768 -4.3615529 -0.29766951 0.28684373 -2.77175766 0.07708887 1.0823602 -0.88901157 -3.57383038 -3.98177499 -11.01029031 -19.60162787 -29.54489398 -45.19762682 -52.46257081 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81-88-9 6694 144211767 A A Rhodamine B [Cl-].O=C(O)c4ccccc4c1c3ccc(cc3[o+]c2cc(ccc12)N(CC)CC)N(CC)CC Tox21_301450 -NCGC00255675-01 196700464 tox21-ror-cho-viability-p1 set1 4 -0.88124467 0.63581351 -0.36532358 0.30973936 -0.31665905 0.4691162 0.14245968 1.16562969 -0.72851682 -0.36820039 0.44048152 -0.19785271 1.92352679 0.66048798 -6.06803619 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33228-44-3 93162 144212016 A A 4-Pentylaniline Nc1ccc(CCCCC)cc1 Tox21_301699 -NCGC00256296-01 196700466 tox21-ror-cho-viability-p1 set1 4 -4.4494563 -0.30850936 -0.822649 1.53389862 -2.90191672 0.16210663 2.3692068 -3.97467611 2.20497034 -5.65971311 2.20913904 -5.59597545 0.39402099 -4.96553821 -3.73663327 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16588-34-4 85505 144211929 Cc A 4-Chloro-3-nitrobenzaldehyde O=[N+]([O-])c1cc(ccc1Cl)C=O Tox21_301612 -NCGC00255649-01 196700467 tox21-ror-cho-viability-p1 set1 4 22.4642298192 4.6509830559 -1.1509830559 3.5 4.9549173134 0.3158321899 0.3562150128 -2.11971867 2.74958345 3.76763132 -2.72538303 -2.97580964 -1.67162921 -2.35457568 -3.97116778 -0.30181733 -0.11796126 -6.79248588 0.38608801 0.23500944 4.38295548 2.8391963 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 34885-03-5 118193 144211845 A I 4-Methylcyclohexanemethanol CC1CCC(CO)CC1 Tox21_301528 -NCGC00257781-01 196702845 tox21-ror-cho-viability-p1 set1 4 7.48471856 0.70162315 5.13758526 8.03355031 5.27843924 4.7405239 11.01078797 6.15262596 7.5248145 4.05996155 -1.01797826 1.90290987 15.22045556 2.63365803 5.6708039 1.1919999999E-9 2.6649999999E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004163 0.000093099999999 1562-00-1 517063 144207425 A A Sodium 2-hydroxyethanesulfonate [Na+].[O-]S(=O)(=O)CCO Tox21_200227 -NCGC00257923-01 196702840 tox21-ror-cho-viability-p1 set1 4 0.685896219 -11.899035364 -2 -13.899035364 0.9999999999 0.7833084744 0.0111456201 -6.41427449 -2.08106575 -3.34971843 -2.1526444 -4.17660566 2.80056118 -7.41759566 -6.27199329 -5.78173668 -10.87023443 -13.16347727 -13.4052521 -15.33252947 -11.49346524 -13.55181689 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-98-3 6828 144207567 A A N,N'-Diethylcarbanilide CCN(C(=O)N(CC)c1ccccc1)c2ccccc2 Tox21_200369 -NCGC00257723-01 196702844 tox21-ror-cho-viability-p1 set1 -2.1 53.2660228804 -71.8518509126 -0.790639979 -72.6424908916 3.1319983358 0.9779018375 8.45E-8 1.54363897 0.8911335 0.08059088 -4.30040392 1.1736438 -4.73466495 1.81360366 0.5714266 -5.2567899 -1.35455545 0.11444813 -1.96032803 0.10618432 -22.61099589 -61.09279613 1.158E-9 2.5899999999E-9 5.792E-9 1.2949999999E-8 2.896E-8 6.4759999999E-8 1.448E-7 3.238E-7 7.24E-7 0.0000016189999999 0.00000362 0.000008095 0.0000181 0.00004047 0.000090499999999 13014-24-9 25608 144207367 A D 1,2-Dichloro-4-(trichloromethyl)benzene Clc1ccc(cc1Cl)C(Cl)(Cl)Cl Tox21_200169 -NCGC00018221-08 196702851 tox21-ror-cho-viability-p1 set1 4 1.7439398694 -9.892351928 -0.5 -10.392351928 1.8851180601 0.8336107638 0.003632782 -1.31088789 -2.47462204 0.13372275 1.09664404 -0.23426539 -0.74347355 -3.68137503 1.04472806 0.11320154 -6.79148227 -9.0998 -7.45551408 -10.02295237 -8.16028453 -14.07695994 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00357107-01 196703251 tox21-ror-cho-viability-p1 set1 4 5.33440295 -1.39702582 -3.08855834 -3.19675236 5.90867961 -12.72083287 3.22166015 0.78078552 -0.45721023 2.32261758 9.83297143 0.18810208 -1.18722953 -0.72529545 -0.65088614 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-62-6 62322 251919947 Fns Diethoxy(dimethyl)silane C[Si](C)(OCC)OCC Tox21_303834 -NCGC00260516-01 196703261 tox21-ror-cho-viability-p1 set1 4 3.75571253 -0.01971692 7.74100578 6.85584144 -0.01962008 3.65791502 -1.177362 -0.52846243 -0.84484973 4.86545821 4.90494956 -1.23769692 -0.95142376 3.65489195 8.84612022 1.1989999999E-9 2.6819999999E-9 5.9959999999E-9 1.3409999999E-8 2.998E-8 6.704E-8 1.4989999999E-7 3.352E-7 7.495E-7 0.000001676 0.000003748 0.00000838 0.000018739999999 0.000041899999999 0.000093689999999 5470-11-1 443297 144210168 Hydroxylamine hydrochloride Cl.NO Tox21_202970 -NCGC00357082-01 196703264 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -32.276847548 -4 -36.276847548 4.9549173134 0.6104307438 0.0894452151 8.42741335 -0.8595057 -2.05298076 -5.72825351 -0.59978758 -11.00531459 -5.61285332 -8.6020213 -4.13043531 -4.52474882 -0.93497147 -15.30675144 -4.61000226 -4.1251073 -30.23070629 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131-52-2 23663539 251919749 Sodium pentachlorophenate [Na+].Clc1c([O-])c(Cl)c(Cl)c(Cl)c1Cl Tox21_303795 -NCGC00260156-01 196703266 tox21-ror-cho-viability-p1 set1 4 3.4076776 -5.06830725 -2.05691464 -2.52774347 -11.22918632 -1.36262057 -0.44944536 -1.17467714 -2.43491131 -1.43263019 -4.84790722 -4.73474229 0.23072714 2.31154353 -0.8646085 1.211E-9 2.709E-9 6.0569999999E-9 1.3539999999E-8 3.028E-8 6.772E-8 1.514E-7 3.386E-7 7.5709999999E-7 0.000001693 0.000003786 0.000008465 0.00001893 0.00004232 0.00009464 89-78-1 16666 144209806 A A dl-Menthol CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O Tox21_202608 -NCGC00260141-01 196703663 tox21-ror-cho-viability-p1 set1 4 -0.6716245 -0.95350833 -1.88139214 -1.25382133 0.85691465 -2.14339236 0.17647053 -1.04920338 5.64376057 -10.36706567 -1.28006545 0.72754244 -2.74270831 -8.37316258 0.97886974 5.905E-10 1.32E-9 2.952E-9 6.601E-9 1.476E-8 3.3009999999E-8 7.381E-8 1.65E-7 3.69E-7 8.252E-7 0.000001845 0.000004126 0.000009226 0.000020629999999 0.00004613 13927-77-0 4523766 144209791 Fc Nickel dibutyldithiocarbamate S=C(S[Ni]SC(=S)N(CCCC)CCCC)N(CCCC)CCCC Tox21_202593 -NCGC00255466-01 196700360 tox21-ror-cho-viability-p1 set1 -2.4 24.2622881052 -32.603118316 -6.526562908 -39.129681224 0.5 0.6520296957 0.0628351502 -2.10546909 -11.04367727 -7.52740461 -13.49923486 -3.84811864 -6.68632944 -11.25493496 -13.61579763 -20.71961025 -13.28121048 -3.61785189 -17.55585916 -22.86326262 -25.87450201 -30.94140102 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 2327-02-8 16854 144212575 A A 3,4-Dichlorophenylurea Clc1ccc(NC(N)=O)cc1Cl Tox21_302258 -NCGC00254689-01 196699951 tox21-ror-cho-viability-p1 set1 4 0.70414472 0.06503933 0.78487828 -0.77421313 -0.89944878 0.98836101 1.43404659 3.0209402 2.61679762 -0.27690239 1.84888021 0.98038633 2.26027933 1.75262407 -0.34358669 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 66230-04-4 10342051 144211102 A A Esfenvalerate Clc1ccc(cc1)[C@H](C(C)C)C(=O)O[C@H](C#N)c3cccc(Oc2ccccc2)c3 Tox21_300785 -NCGC00254029-01 196699957 tox21-ror-cho-viability-p1 set1 4 7.6958821542 6.458059424 0.041940576 6.5 4.9549173134 0.5618476929 0.1436314954 2.34947897 -0.43847758 -0.36853647 2.44493285 -0.78513184 -0.63996657 0.746829 -2.46504952 1.16517539 2.38371583 -1.56796148 4.30924992 9.88865908 2.80389316 0.00799304 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-11-4 31337 144210615 A A 2-(Hydroxymethyl)-2-nitro-1,3-propanediol O=[N+]([O-])C(CO)(CO)CO Tox21_300295 -NCGC00260060-01 196723980 tox21-ror-cho-viability-p1 set3 4 2.7167235033 19.58912106 -7.58912106 12 0.2 0.5232357013 0.1588316461 -8.82426755 -0.26345983 -1.92918589 -4.72399399 1.2877757 -2.29428311 3.11988082 3.19104305 -3.81138668 -0.64407573 -0.88998234 5.2149588 1.4088397 5.70099829 8.75875358 1.175E-9 2.628E-9 5.877E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.346E-7 0.000001643 0.000003673 0.0000082129999999 0.000018359999999 0.00004107 0.000091819999999 1239-45-8 14710 144209709 A C Ethidium bromide [Br-].CC[n+]3c4cc(N)ccc4c1ccc(N)cc1c3c2ccccc2 Tox21_202511 -NCGC00016324-09 196697815 tox21-ror-cho-viability-p1 set1 4 -1.77263892 0.31288794 -0.01171938 -0.80754573 2.24420923 -0.56994445 -1.72775321 1.53919384 -2.23906136 0.53556471 1.0693916 1.03806734 -0.59336098 0.5289026 -2.08138091 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80-35-3 5330 170466374 A Sulfamethoxypyridazine O=S(=O)(Nc1ccc(OC)nn1)c2ccc(N)cc2 Tox21_110373_1 -NCGC00253750-01 196697820 tox21-ror-cho-viability-p1 set1 4 -0.68638505 1.72194252 2.48446626 2.12419504 -0.39714 3.86789267 2.52237998 7.0980064 1.40850419 1.538724 3.23074028 3.662184 3.30213399 4.68686316 5.73415427 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66304-03-8 68862 170466558 A F Epicainide CCN3CCCC3CNC(=O)C(O)(c1ccccc1)c2ccccc2 Tox21_113865 -NCGC00160547-02 196697825 tox21-ror-cho-viability-p1 set1 4 26.6032120037 -7.65397522 2.5 -5.15397522 3.6772481694 0.4460817404 0.232576793 1.36473374 2.86151043 4.39953578 -0.15667867 5.67492886 3.26446014 1.79381499 0.60676757 0.78553536 1.83691652 1.20741481 6.63307965 0.18120108 0.69616315 -4.29497935 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17692-39-6 71693 170466319 A Fomocaine C(CCN1CCOCC1)c3ccc(COc2ccccc2)cc3 Tox21_111890_1 -NCGC00090730-03 196698230 tox21-ror-cho-viability-p1 set1 4 1.13393051 7.95723306 4.65340476 0.46208999 6.03248469 0.71360017 0.76506149 -0.10637954 0.31363925 1.67266668 -0.16627236 0.47975229 0.77243866 1.97977294 2.1804609 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 464-49-3 159055 170465497 F D-Camphor CC2(C)[C@H]1CC(=O)[C@]2(C)CC1 Tox21_110995_1 -NCGC00094985-05 196698232 tox21-ror-cho-viability-p1 set1 4 -1.4940458 -1.56335836 0.7616606 -1.64865503 1.19187516 1.20309852 -4.23232388 0.62729243 -3.11539144 0.77043335 -5.08487452 -3.01285394 0.99470815 -3.83034755 0.49513243 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 148-01-6 3092 170465727 A Zoalene Cc1c(cc(cc1[N+](=O)[O-])[N+]([O-])=O)C(N)=O Tox21_111374_1 -NCGC00091231-04 196698238 tox21-ror-cho-viability-p1 set1 4 0.83395933 10.76171739 5.78587393 0.78761566 2.87513365 2.36868409 0.2114898 1.67567104 0.28369791 0.26281256 1.49398866 6.89755676 0.28719916 0.58022002 0.70278878 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56-54-2 5953 170465031 A Quinidine COc1cc2c(cc1)nccc2[C@H](O)[C@H]4CC3CCN4C[C@@H]3C=C Tox21_111720_1 -NCGC00013683-06 196698243 tox21-ror-cho-viability-p1 set1 -2.4 29.8492948118 -27.3018780559 -0.5 -27.8018780559 4.9549173134 0.9137733679 0.0001530149 0.53111491 2.30193531 0.17423809 1.61890253 1.56228837 0.77673883 -0.18808328 0.42481124 0.26702367 -5.2679535 -1.57426897 -2.84811573 -2.10189642 -4.08006763 -24.83489838 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 113-59-7 667466 170465069 A Chlorprothixene CN(C)CC\C=C1/c3ccccc3Sc2ccc(Cl)cc12 Tox21_110032_1 -NCGC00015159-11 196698646 tox21-ror-cho-viability-p1 set1 4 1.38813078 -0.0568442 -3.58258219 1.07571321 1.06303613 -1.1301399 -0.70693472 -6.03905187 -2.16798824 -5.0178198 -5.50019337 -2.7544595 0.13862485 -0.80952573 -1.55597258 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63659-18-7 2369 170465448 A Betaxolol hydrochloride CC(C)NCC(O)COc1ccc(cc1)CCOCC2CC2 Tox21_110091_1 -NCGC00258923-01 196721930 tox21-ror-cho-viability-p1 set3 4 34.1316760177 9.5043997759 -1.5043997759 8 4.9549173134 0.5942073057 0.1021726259 -3.67324664 2.02339855 -3.02529032 4.99834831 -0.95769105 -3.75366648 -2.78231649 -2.42874971 -2.49992798 1.43174078 -2.16139237 -1.5328144 -2.50696694 5.73733342 8.16070645 1.173E-9 2.624E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.000003667 0.0000081989999999 0.00001833 0.00004099 0.000091659999999 89-72-5 6984 144208570 A A 2-(Butan-2-yl)phenol Oc1ccccc1C(C)CC Tox21_201372 -NCGC00259820-01 196721533 tox21-ror-cho-viability-p1 set3 4 1.26086299 5.19720554 -0.52418111 12.10455108 1.19903175 1.28296415 -1.33807968 0.76443481 -0.64086671 0.41859062 -0.41142904 -0.58083775 0.19628512 6.52606598 3.43263007 1.155E-9 2.582E-9 5.773E-9 1.291E-8 2.886E-8 6.454E-8 1.443E-7 3.227E-7 7.216E-7 0.000001614 0.000003608 0.000008068 0.000018039999999 0.00004034 0.0000902 6484-52-2 22985 144209469 A Ammonium nitrate [NH4+].[O-][N+]([O-])=O Tox21_202271 -NCGC00259677-01 196721535 tox21-ror-cho-viability-p1 set3 4 68.729149849 -25.618936188 -1.5 -27.118936188 4.9549173134 0.6352851144 0.0731319662 -1.3043885 -8.39865549 2.86979809 3.56588757 0.54150925 -1.8776377 -4.82093657 5.62453733 -3.10800684 2.3470656 -2.97289941 -2.21874416 -9.00326732 -1.39041834 -22.59911349 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.61E-8 1.4779999999E-7 3.305E-7 7.3899999999E-7 0.0000016529999999 0.0000036949999999 0.000008263 0.00001848 0.00004131 0.000092379999999 6807-17-6 81259 144209326 A A 4,4'-(4-Methylpentane-2,2-diyl)diphenol Oc1ccc(cc1)C(C)(CC(C)C)c2ccc(O)cc2 Tox21_202128 -NCGC00259723-01 196721549 tox21-ror-cho-viability-p1 set3 4 27.8066187046 8.11000082 -7.11000082 1 4.9549173134 0.3981247785 0.2749839764 -13.84166735 -3.17164967 -3.39082001 -3.9283992 -5.13380738 -7.74781429 -7.60664978 -8.00565588 -4.92837541 -5.96942713 -10.68785304 -10.57685558 -10.28666594 3.01470796 -1.49632366 1.198E-9 2.679E-9 5.991E-9 1.34E-8 2.995E-8 6.698E-8 1.4979999999E-7 3.3489999999E-7 7.488E-7 0.0000016739999999 0.000003744 0.0000083719999999 0.000018719999999 0.000041859999999 0.000093599999999 127-19-5 31374 144209372 A A N,N-Dimethylacetamide CN(C)C(C)=O Tox21_202174 -NCGC00259563-01 196721951 tox21-ror-cho-viability-p1 set3 4 49.051958674 15.37900274 -2.87900274 12.5 3.0654483358 0.6258952432 0.0795590033 -6.14281134 -4.16620473 0.2365187 5.42986105 -4.03442588 -6.14916895 -4.01780743 -4.51847083 -5.06952795 -1.0228132 -4.43264687 -2.48544647 -3.37443439 3.60517572 10.53384166 1.19E-9 2.661E-9 5.951E-9 1.331E-8 2.975E-8 6.653E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.000003719 0.000008317 0.0000186 0.00004158 0.00009298 79-92-5 6616 144209212 FNS Camphene CC2(C)C(=C)C1CCC2C1 Tox21_202014 -NCGC00259260-01 196721933 tox21-ror-cho-viability-p1 set3 -2.2 17.3165758889 -60.8483824982 -4.112052761 -64.9604352592 0.9999999999 0.9142943122 0.000147271 -5.89210979 -3.67068193 -3.75631739 -0.57291055 -6.10566305 -7.30513809 -6.07010423 -6.07356438 -6.92698629 -7.44391155 -5.56646774 -34.71354837 -39.28820665 -36.44978212 -59.81851156 1.185E-9 2.6499999999E-9 5.9249999999E-9 1.325E-8 2.962E-8 6.6239999999E-8 1.481E-7 3.312E-7 7.406E-7 0.000001656 0.0000037029999999 0.0000082799999999 0.00001852 0.0000414 0.00009258 135-57-9 67271 144208909 A A 2,2'-Dibenzoylaminodiphenyl disulfide O=C(Nc3ccccc3SSc2ccccc2NC(=O)c1ccccc1)c4ccccc4 Tox21_201711 -NCGC00259717-01 196721939 tox21-ror-cho-viability-p1 set3 -2.2 33.9920544223 -57.7916458662 -4.040678964 -61.8323248302 1.4641 0.9318471869 0.0000446053 -8.89109783 -1.79825628 1.16790821 -1.56052657 0.1706788 -4.77275575 -5.09232164 -10.28466729 -2.99197323 -0.88561962 -12.68847023 -13.5770386 -15.85616914 -36.9218125 -54.23888143 1.1689999999E-9 2.615E-9 5.8469999999E-9 1.3069999999E-8 2.9229999999E-8 6.537E-8 1.462E-7 3.268E-7 7.308E-7 0.0000016339999999 0.0000036539999999 0.0000081709999999 0.00001827 0.00004086 0.000091349999999 120-95-6 8455 144209366 A A 2,4-Bis(2-methylbutan-2-yl)phenol Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC Tox21_202168 -NCGC00259529-01 196721941 tox21-ror-cho-viability-p1 set3 4 -1.72086682 4.92713277 0.05027888 -2.60242325 -3.90746319 -2.65080026 -2.8575692 -2.71142315 -2.98328246 1.35158666 -1.589747 2.1595412 1.16807166 -0.04701093 -2.28866937 1.1699999999E-9 2.6159999999E-9 5.849E-9 1.3079999999E-8 2.9239999999E-8 6.539E-8 1.462E-7 3.27E-7 7.311E-7 0.000001635 0.0000036549999999 0.0000081739999999 0.00001828 0.000040869999999 0.000091389999999 134-62-3 4284 144209178 A A DEET Cc1cccc(c1)C(=O)N(CC)CC Tox21_201980 -NCGC00185768-01 196722334 tox21-ror-cho-viability-p1 set3 4 0.46509244 -3.1869185 -2.65015012 0.11777661 -0.0813747 -8.52857246 -5.13897804 -0.51343351 -1.54364564 5.25105572 -1.18568779 -4.11424001 -4.92795006 -4.73823553 -5.27532874 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 91599-74-5 656667 144207147 A A rac Benidipine hydrochloride Cl.[O-][N+](=O)c1cccc(c1)[C@@H]2C(C(=O)OC)=C(C)NC(C)=C2C(=O)O[C@@H]4CCCN(Cc3ccccc3)C4 Tox21_113598 -NCGC00091011-05 196722349 tox21-ror-cho-viability-p1 set3 2.1 34.3762428541 79.4761845 -10.0272213525 69.4489631475 1.6266150999 0.7893872179 0.0098248896 -11.59810813 0.68508011 -17.02340114 -1.00992766 -24.0324371 -27.44061591 -29.9353276 -0.44749301 5.37374267 0.20129941 -1.95127562 0.09043533 7.48916 34.94005703 62.69915085 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00016367-08 196722744 tox21-ror-cho-viability-p1 set3 4 33.4914596268 20.96714924 -9.96714924 11 4.9549173134 0.4254265559 0.2474647315 -12.66046642 -14.50572659 -9.61344927 -14.78712396 -13.27368067 -15.27519694 0 -17.0559577 -0.32441474 -4.37761233 -5.67023631 -11.66370123 -12.4869398 -9.68313566 7.6296399 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 116-43-8 5315 170465721 A Succinylsulfathiazole O=S(=O)(Nc1nccs1)c2ccc(NC(=O)CCC(=O)O)cc2 Tox21_110400_1 -NCGC00254400-01 196720335 tox21-ror-cho-viability-p1 set3 4 6.09539507 -4.91320579 2.02519572 -2.84931288 -2.73680672 5.30609602 0.93851143 4.59250721 4.29642251 0.14253661 1.01310118 2.23058927 8.70508442 0.28803762 5.65915465 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-00-5 8152 144210674 A A Dodecyltrimethylammonium chloride [Cl-].C[N+](C)(C)CCCCCCCCCCCC Tox21_300356 -NCGC00254639-01 196720329 tox21-ror-cho-viability-p1 set3 4 0.0054482673 20.487724744 -23.1367059 -2.648981156 0.4 0.5286272106 0.1700197274 -17.50171343 -19.28058825 -11.62739498 -1.82006921 -10.98131714 -11.50143229 -6.26028136 -6.97655727 -6.83472589 -2.54273894 -0.54081763 -5.00846545 -7.38796587 -7.54407985 -21.26316955 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 741-58-2 12932 144211050 A A Bensulide O=S(=O)(NCCSP(=S)(OC(C)C)OC(C)C)c1ccccc1 Tox21_300733 -NCGC00254849-01 196720330 tox21-ror-cho-viability-p1 set3 4 -7.53939332 -7.02147615 -0.41833355 1.97613432 -0.91888586 -3.63304602 -1.06681023 4.48877165 1.57153325 3.84243691 -5.71280284 -6.28849089 2.81081872 -2.52147138 -7.08036032 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 133855-98-8 3317081 144211264 A A Epoxiconazole Fc1ccc(cc1)C4(Cn2cncn2)OC4c3ccccc3Cl Tox21_300947 -NCGC00254117-01 196720333 tox21-ror-cho-viability-p1 set3 4 1.0870722482 8.6782229519 -1.6782229519 7 3.0654483358 0.492961507 0.1849235106 -5.98185246 -2.28421662 -3.8563805 3.12751105 -3.52328845 0.80419191 0.49709459 -0.61762842 -5.20830702 11.66043422 12.39741454 -0.17356785 11.00114333 3.42070703 4.07171732 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1120-71-4 14264 144210386 B F 1,3-Propane sultone O=S1(=O)CCCO1 Tox21_300066 -NCGC00255167-01 196700769 tox21-ror-cho-viability-p1 set1 -2.2 12.1971512362 -53.4653489218 -1.253008941 -54.7183578628 0.4 0.8773677703 0.0008751458 -0.45266519 0.69800012 -4.19260905 -12.4165378 -6.29633265 -2.43119727 -15.97291314 -6.1512362 -14.03722534 -16.43898053 -24.99387415 -22.25317888 -35.14410386 -27.75644817 -41.83208929 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 485-72-3 5280378 144212165 A A Formononetin COc1ccc(cc1)C3=COc2cc(O)ccc2C3=O Tox21_301848 -NCGC00255197-01 196700753 tox21-ror-cho-viability-p1 set1 4 48.5577336745 -23.02192434 -2.531405228 -25.553329568 0.3 0.6004008285 0.0970545538 -3.14707379 -0.44283769 -9.73497016 -1.29762929 -4.09231914 -6.08955886 -9.61357764 -5.94162372 -4.24526369 -13.05060078 -9.11676665 -8.53783699 -11.34991175 -10.27955088 -19.62777464 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58-72-0 6025 144212742 A F Triphenylethylene C(/c1ccccc1)=C(/c2ccccc2)c3ccccc3 Tox21_302425 -NCGC00256193-01 196700759 tox21-ror-cho-viability-p1 set1 4 -0.71833566 0.9236068 2.88028106 -1.04938431 4.88845538 6.60425901 3.77829155 -2.01337807 2.81958527 2.29463716 6.60429509 5.88634291 1.26855218 1.61888289 2.19753456 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 610-96-8 11895 144212331 A A Methyl 2-chlorobenzoate Clc1ccccc1C(=O)OC Tox21_302014 -NCGC00256308-01 196700761 tox21-ror-cho-viability-p1 set1 4 2.32910269 -3.85732708 0.19725334 -3.72184241 -0.32546002 -2.91699245 -4.23196209 -4.28518327 1.00789442 -2.41070441 -1.5171338 -2.33089027 0.44790941 -0.26285027 -8.06916851 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25354-97-6 32912 144211987 A A 2-Hexyldecanoic acid O=C(O)C(CCCCCCCC)CCCCCC Tox21_301670 -NCGC00249929-01 196697879 tox21-ror-cho-viability-p1 set1 -2.4 23.7101376556 -28.8852524 0 -28.8852524 3.1319983358 0.9684133799 6.545E-7 -2.08258618 0.04031085 -0.91887402 0.59201685 0.7952773 1.363203 0.80613913 -0.56106868 -1.66736642 -0.60232741 -2.64963959 1.01719389 -0.10596056 -10.93746373 -26.154377 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 130726-68-0 5282433 170466035 I A Neticonazole CS\C=C(/c1ccccc1OCCCCC)n2ccnc2 Tox21_113705 -NCGC00164168-02 196697871 tox21-ror-cho-viability-p1 set1 4 0.20792631 -4.66268674 0.32069126 -1.48848921 1.88729283 -1.95989477 1.39685084 -0.43803461 0.34083046 1.23725089 0.81934644 0.11299186 -3.61913022 -1.05911348 -5.82755013 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00042523-03 196697874 tox21-ror-cho-viability-p1 set1 4 0.004216325 11.4881892639 -13.4881892639 -2 0.7 0.3625235938 0.3249766335 -6.54516789 -8.36678477 -16.24015772 -6.25051937 -1.74594074 -4.87970163 -6.54052006 -0.73057128 1.01963808 -0.8593397 -6.69590138 0.58378164 -0.75896864 -6.72408663 -11.23200278 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 102-77-2 7619 170465568 F N-Oxydiethylenebenzothiazole-2-sulfenamide c1cccc2sc(nc12)SN3CCOCC3 Tox21_110976_1 -NCGC00018242-07 196697876 tox21-ror-cho-viability-p1 set1 4 3.99531022 1.96048023 3.85854342 7.26948291 -0.89634481 6.90031576 7.4209612 3.26552737 6.44555084 2.38537432 0.89870633 4.08986828 5.05899013 2.45764005 1.82643471 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 144-80-9 5320 170464944 A Sulfacetamide Nc1ccc(cc1)S(=O)(=O)NC(C)=O Tox21_110846_1 -NCGC00090766-07 196697887 tox21-ror-cho-viability-p1 set1 4 -1.47717134 -1.43166884 -2.18658356 -0.46969639 -1.58235993 0.54809849 -1.91430371 -0.18945721 -5.07244185 0.44134845 0.26020618 -1.98593116 -1.10754997 -1.13445143 -1.09740028 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53-03-2 5865 170464847 A Prednisone OCC(=O)[C@@]3(O)CC[C@H]2[C@@H]4CCC1=CC(=O)C=C[C@]1(C)[C@H]4C(=O)C[C@@]23C Tox21_111014_1 -NCGC00015826-13 196697888 tox21-ror-cho-viability-p1 set1 -3 33.4914596268 -54.8631178712 -0.195077926 -55.0581957972 4.9549173134 0.9550844503 0.0000046669 -1.02868917 0.46762944 0.22906786 -1.14400317 -0.65373842 -0.00126785 -0.84611101 -0.15326786 3.65411628 3.47672664 1.75823883 -5.34653006 -5.81275896 -3.73703305 -48.29666298 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-39-9 4748 170464834 A Perphenazine OCCN1CCN(CC1)CCCN2c4ccccc4Sc3ccc(Cl)cc23 Tox21_110233_1 -NCGC00016934-06 196698282 tox21-ror-cho-viability-p1 set1 4 -5.32525372 0.09185733 -4.40324623 0.34918627 -0.04777522 -1.58484904 -3.55397661 0.34244679 -2.52746028 -4.10079126 -6.81080274 0.06433911 -1.89820689 -4.88026748 4.56494239 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 76963-41-2 4513 170464780 I Nizatidine CN(C)Cc1nc(CSCCNC(=C[N+]([O-])=O)NC)cs1 Tox21_110691_1 -NCGC00181909-01 196698283 tox21-ror-cho-viability-p1 set1 4 -0.68869824 2.07526339 0.11525057 -1.0749205 0.02358437 1.21229909 1.01378093 -0.5061349 0.22274226 0.13072942 1.44466959 1.66966648 0.43220846 0.26179299 0.50262884 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 41653-21-8 3300 144206885 A A Sulcaine O=C(CN1CCCCC1)Nc2ccc(cc2)C(=O)OCC Tox21_113334 -NCGC00160624-04 196723424 tox21-ror-cho-viability-p1 set3 4 1.8833631789 -8.3550944879 -1 -9.3550944879 1.21 0.5764199432 0.1305867006 -3.18733922 0.9412593 -0.49462656 -3.47794347 -2.05488875 2.4519352 -3.31719509 -2.55111876 2.93257846 -5.52769004 -4.39420676 -6.13786059 -11.96257874 -6.49847459 10.38474647 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-06-3 6034 170466827 A Ethopabate CCOc1cc(ccc1C(=O)OC)NC(C)=O Tox21_111943_1 -NCGC00091563-12 196723015 tox21-ror-cho-viability-p1 set3 -1.1 0.1883363179 -92.9169572427 4.3483479174 -88.5686093253 3.9294729863 0.875412642 0.0009422376 2.72037668 16.58462721 -4.2244347 0.95925157 11.58678796 8.18884353 -5.49214987 -30.26813859 -86.46931065 -91.27493544 -90.81464608 -96.34746078 -76.11420345 -43.48222313 -128.36030337 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 137-26-8 5455 170465664 A Thiram CN(C)C(=S)SSC(=S)N(C)C Tox21_111150_1 -NCGC00249050-02 196723026 tox21-ror-cho-viability-p1 set3 4 -1.61971517 3.5369831 2.52694856 1.08986638 10.23632665 -0.27891764 -0.93129477 -0.09982077 8.69954629 5.5492018 14.93579295 1.01366229 12.29688147 7.12909013 1.33614747 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52479-85-3 40399 170466234 B Exifone Oc2ccc(C(=O)c1cc(O)c(O)c(O)c1)c(O)c2O Tox21_113656 -NCGC00249084-02 196723422 tox21-ror-cho-viability-p1 set3 4 -1.54652573 3.79875696 2.21539949 0.23685721 5.94786893 2.79512104 -1.59814645 1.27085237 -3.7963239 -11.95018711 7.07615861 3.72249309 -1.54627255 2.59168173 -0.78360353 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 551-92-8 3090 170466369 A A 1,2-Dimethyl-5-nitroimidazole O=[N+]([O-])c1cnc(C)n1C Tox21_113657 -NCGC00254352-01 196720607 tox21-ror-cho-viability-p1 set3 4 -6.89466096 -1.21191391 -4.42346412 -0.3564893 -5.08696506 -4.30707554 -5.2959771 -2.82726775 -5.50374112 -6.27461837 -1.45368786 -5.54106148 -5.23092242 -3.2088823 2.78027045 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2528-16-7 31736 144210943 A A Monobenzyl phthalate O=C(O)c2ccccc2C(=O)OCc1ccccc1 Tox21_300626 -NCGC00254119-01 196720589 tox21-ror-cho-viability-p1 set3 4 0.685896219 -7.410508436 7.5 0.089491564 2.7202212143 0.5990664573 0.0980614709 12.23597551 3.31517267 7.34549904 6.28536773 12.61142375 3.88546368 8.99032855 5.10328231 5.03282119 -2.83954471 -1.7073146 1.55616756 3.54895 -3.25875703 1.73243845 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-22-5 7047 144210388 A Ac Quinoline c1cccc2cccnc12 Tox21_300068 -NCGC00254486-01 196720590 tox21-ror-cho-viability-p1 set3 4 7.97203459 2.77378678 4.4585446 8.60234682 4.74105029 -1.07790675 8.297596 -4.09280882 17.38423557 2.89581947 1.28374482 13.21523444 -0.84642225 5.3938137 6.13588337 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3147-75-9 62485 144210816 A A Octrizole CC(C)(C)CC(C)(C)c1cc(c(O)cc1)n2nc3ccccc3n2 Tox21_300498 -NCGC00254556-01 196720591 tox21-ror-cho-viability-p1 set3 4 2.1689942904 14.820598872 -10.320598872 4.5 0.3 0.5389729467 0.1453733648 -8.53583877 -12.35049906 -6.98103556 -2.62828958 -8.15709412 -10.64361097 -2.31172474 -6.91989467 -5.65166006 -2.8212587 1.29223528 0.91763556 -5.1861934 -2.58879692 3.81007195 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1081-34-1 65067 144210965 A Ac alpha-Terthiophene c1csc(c1)c2ccc(s2)c3cccs3 Tox21_300648 -NCGC00091163-03 196721009 tox21-ror-cho-viability-p1 set3 4 -5.86509466 -5.17511888 -2.44445806 4.72798776 -2.51235074 -4.22649622 -4.01871902 -4.64003907 -4.0340164 -1.86414216 -3.89277708 -3.89582194 -3.23092674 0.59559788 2.02218374 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00258886-01 196721025 tox21-ror-cho-viability-p1 set3 4 4.3233118791 5.8444820079 -1.8444820079 4 4.9549173134 0.377644717 0.2946126791 -2.02647794 -1.9733107 1.7138302 -2.62789344 1.63805198 1.05859581 -0.92998912 0.5782751 -12.78706834 -2.4356084 -0.27788554 5.46814525 4.57801891 3.19577377 3.32660334 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 79-44-7 6598 144208532 D Dimethylcarbamoyl chloride CN(C)C(Cl)=O Tox21_201334 -NCGC00259047-01 196721405 tox21-ror-cho-viability-p1 set3 4 -4.07025098 -2.98535177 0.91478842 -2.76005953 -1.0829795 -0.59115599 2.13556762 -6.86540673 -5.24627089 -0.5615255 -1.03294099 -4.17183666 -6.02456665 1.03089662 -4.36079436 1.194E-9 2.67E-9 5.9699999999E-9 1.335E-8 2.985E-8 6.675E-8 1.4919999999E-7 3.337E-7 7.4619999999E-7 0.000001669 0.0000037309999999 0.000008343 0.00001866 0.00004172 0.00009328 91-66-7 7061 144208694 A Bc N,N-Diethylaniline CCN(CC)c1ccccc1 Tox21_201496 -NCGC00258870-01 196721413 tox21-ror-cho-viability-p1 set3 4 24.7082215244 9.158870584 -9.329943244 -0.17107266 4.9549173134 0.3385682821 0.331486852 -15.24309587 -1.35744572 -6.83202174 -4.8929335 -10.65064658 -16.94161937 -9.24354489 -10.10494686 -12.59321649 -2.66239857 -7.74640868 -11.3039259 -8.08925541 -0.14256055 -0.87902532 1.195E-9 2.672E-9 5.976E-9 1.336E-8 2.988E-8 6.6809999999E-8 1.494E-7 3.341E-7 7.47E-7 0.0000016699999999 0.000003735 0.000008352 0.00001867 0.000041759999999 0.00009337 99-62-7 7450 144208516 AC Fns 1,3-Diisopropylbenzene CC(C)c1cccc(c1)C(C)C Tox21_201318 -NCGC00259079-01 196721805 tox21-ror-cho-viability-p1 set3 -2.1 24.4603135873 -74.0243432187 -2.617120917 -76.6414641357 1.692447691 0.9813898033 3.13E-8 -5.64279588 -0.90700184 -2.41935457 0.47408722 -5.00863438 -4.7192878 -3.83919028 -4.51300649 -4.29312066 2.1874687 -3.69518581 -17.78245405 -26.80403489 -57.05888188 -68.98374047 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.962E-8 6.622E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 119-47-1 8398 144208727 A A 2,2'-Methylenebis(4-methyl-6-tert-butylphenol) CC(C)(C)c2cc(C)cc(Cc1cc(C)cc(c1O)C(C)(C)C)c2O Tox21_201529 -NCGC00091205-03 196724887 tox21-ror-cho-viability-p1 set3 4 0.0102636564 6.1375447999 -3.6375447999 2.5 4.9549173134 0.576217522 0.1160653465 -4.697954 -4.30938831 -2.37948955 -1.60974787 4.69710631 0.43727116 3.43510817 5.02389132 3.46450295 3.37533238 6.51389037 -1.54503017 -0.59238154 -0.45137122 2.52685546 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00164127-03 196716643 tox21-ror-cho-viability-p1 set2 -2.1 61.130564862 -78.7379810602 2.574778105 -76.1632029552 3.9899729863 0.9921847904 2E-10 4.3823201 3.55766259 2.49438647 -0.11833245 5.12322354 1.7702503 3.25981525 3.79167561 1.28743636 0.47444869 3.64462275 1.5652043 0.09356698 -10.65675456 -63.38121436 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00015762-13 196717065 tox21-ror-cho-viability-p1 set2 1.1 2.5918491848 81.3147366112 -5.751519836 75.5632167752 2.2526478767 0.978270842 7.66E-8 -6.90099052 0.07685099 -11.87626653 0.75807212 -4.76181387 -7.68859813 -10.11734522 -10.69886525 -2.71939785 -2.57964866 6.33118153 19.38262442 64.90568456 72.12080076 71.03020117 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 14698-29-4 4628 170466273 A Oxolinic acid O=C(O)C2=CN(CC)c1cc3OCOc3cc1C2=O Tox21_110216_1 -NCGC00159515-03 196717068 tox21-ror-cho-viability-p1 set2 4 -0.79031359 -0.32365865 -2.36518531 0.74893799 7.3353301 -0.90087893 -1.44646473 -0.59331893 -1.47344386 -2.5202496 -0.38801629 -1.54735553 -1.61008283 1.72280901 1.11951809 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 138729-47-2 969472 170465445 A Eszopiclone CN1CCN(CC1)C(=O)O[C@H]4c2nccnc2C(=O)N4c3ccc(Cl)cn3 Tox21_111733_1 -NCGC00167442-03 196717072 tox21-ror-cho-viability-p1 set2 4 0.421632496 3.887937212 -3.887937212 0 4.9549173134 0.3486455416 0.3244208796 -2.91175679 0.47052191 -5.01887299 0.06469485 -9.07328101 -3.17339267 -2.35429095 -8.17468969 -2.32450143 0.05480823 2.12197346 -0.16351899 -2.34534182 0.70454522 0.11251292 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 106463-17-6 5362376 170464826 A Tamsulosin hydrochloride Cl.O=S(N)(=O)c1cc(ccc1OC)C[C@@H](C)NCCOc2ccccc2OCC Tox21_112446_1 -NCGC00095089-10 196717074 tox21-ror-cho-viability-p1 set2 4 -4.72489491 -4.26860978 -2.4516648 1.0627009 2.05171494 -7.3083829 -3.38542712 -3.22981751 -1.58322336 -3.86818184 -0.5437334 -1.06735594 -3.21811352 0.11963118 0.36494536 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 86386-73-4 3365 170464782 A Fluconazole OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F Tox21_111419_1 -NCGC00253567-01 196717076 tox21-ror-cho-viability-p1 set2 4 0.3349145963 -5.6169879399 3.5 -2.1169879399 4.9549173134 0.469483016 0.2077462706 -0.50368128 -0.66309241 0.38767564 0.83935978 5.37051999 6.67618925 6.33565951 8.62827762 -0.45012486 -3.1340451 -2.13623624 -0.40726094 -1.86241199 -3.84748995 -0.23780042 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 115-44-6 8275 170465408 A A Talbutal O=C1NC(=O)NC(=O)C1(CC=C)C(C)CC Tox21_113715 -NCGC00091009-05 196717474 tox21-ror-cho-viability-p1 set2 4 27.5185618656 -12.1217668039 2 -10.1217668039 1.4163171 0.7427476914 0.0220825246 1.65605359 -0.39503901 1.23237474 0.91541263 4.90176239 4.15200919 3.69017218 4.49402616 -0.74090104 -1.17850843 0.75888633 0.39057092 -0.82159887 -5.73025152 -8.43480567 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00025195-06 196717483 tox21-ror-cho-viability-p1 set2 4 0.18628455 -2.7337147 -3.0285485 -2.968838 0.29376058 -4.17783032 -1.52937662 0.73271586 -2.60845298 -7.749643 -5.14304688 -3.86865925 -1.96975356 -1.86743937 -0.42368542 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 78712-43-3 6438130 170466054 A Ozagrel hydrochloride Cl.O=C(O)/C=C/c2ccc(Cn1ccnc1)cc2 Tox21_110693_1 -NCGC00091502-11 196713769 tox21-ror-cho-viability-p1 set2 4 -3.01071065 -0.09981898 0.38005422 -5.47553482 -3.83167306 -0.12097123 0.93184791 0.31811621 0.5805474 0.10259133 -1.0073417 0.524434 -0.02336161 0.19619526 -0.71001412 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 91-64-5 323 170465665 Z Coumarin O=C1C=Cc2ccccc2O1 Tox21_111141_1 -NCGC00091175-03 196713754 tox21-ror-cho-viability-p1 set2 4 8.7767577 5.52169019 1.48518572 2.652676 0.44770181 4.31735717 0.88868311 0.17699663 2.27942859 0.29116653 0.8591331 2.87547269 1.48712271 1.05148607 5.71652656 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118-92-3 227 170465552 A Anthranilic acid OC(=O)c1ccccc1N Tox21_111095_1 -NCGC00263562-01 196713760 tox21-ror-cho-viability-p1 set2 4 1.36713344 2.77699057 0.49724194 -0.17284084 -1.27181282 0.99798424 0.29604394 0.51615114 0.42247343 1.03342405 -0.14558861 0.95718805 0.106583 -0.62912392 3.66560509 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 28888-44-0 120081 170466734 A 6,7-Dimethoxyquinazoline-2,4(1H,3H)-dione COc1cc2c(cc1OC)NC(=O)NC2=O Tox21_111752_1 -NCGC00164127-03 196713768 tox21-ror-cho-viability-p1 set2 -2.1 68.5896218971 -93.566541738 -1.7587891979 -95.3253309359 3.6272481694 0.988954466 1.5E-9 -2.03470868 -1.08001358 -1.81063184 -3.46188443 -0.01932217 -3.73009257 -0.12616538 0.15254666 0.09147043 0.37173218 -0.8321701 -5.07961993 -6.45043433 -14.6943719 -72.2161598 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00258275-01 196701585 tox21-ror-cho-viability-p1 set1 4 -6.9139061 -7.6967946 -5.39444247 -2.23793379 -7.20841407 6.14422706 -10.78131941 -10.07745182 -0.04927995 3.5901931 -9.49572089 -14.40069 -4.47714222 -6.53162504 0.44825323 1.166E-9 2.6069999999E-9 5.83E-9 1.304E-8 2.9149999999E-8 6.518E-8 1.457E-7 3.259E-7 7.287E-7 0.000001629 0.0000036439999999 0.000008147 0.00001822 0.00004074 0.00009109 207-08-9 9158 144207919 A A Benzo(k)fluoranthene c3c5c1cccc2cccc(c12)c5cc4ccccc34 Tox21_200721 -NCGC00255365-01 196701184 tox21-ror-cho-viability-p1 set1 4 0.6113056486 5.2788456839 -4.2788456839 1 4.9549173134 0.5754472483 0.1168760439 -2.51794173 -5.3844855 -3.02951986 -1.31896507 -1.42386833 -6.89903807 -5.41738846 -6.70407111 -0.059339 0.34563662 2.67900427 -0.69668357 -0.79817598 -0.79420927 4.85431506 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6284-40-8 8567 144212354 A A Meglumine O[C@H]([C@@H](O)CNC)[C@H](O)[C@H](O)CO Tox21_302037 -NCGC00255336-01 196701190 tox21-ror-cho-viability-p1 set1 4 1.95983549 -0.33593015 2.85341812 -0.79203648 0.40367146 2.26769371 0.83788481 5.00367817 3.0378665 3.45438832 2.49978295 0.48976829 1.19612737 7.17302831 2.90070311 9.438E-10 2.11E-9 4.719E-9 1.055E-8 2.3589999999E-8 5.276E-8 1.1799999999E-7 2.6379999999E-7 5.899E-7 0.000001319 0.0000029489999999 0.0000065949999999 0.00001475 0.00003297 0.00007373 6893-02-3 5920 144212260 A A 3,5,3'-Triiodothyronine O=C(O)[C@@H](N)Cc2cc(I)c(Oc1cc(I)c(O)cc1)c(I)c2 Tox21_301943 -NCGC00257882-01 196701582 tox21-ror-cho-viability-p1 set1 4 -0.63683118 -2.15253244 -2.48001189 -1.23100096 -6.11644585 -4.81476492 -7.00595375 -1.38534958 -1.12478269 -9.68009213 -6.87437006 -1.38831136 -7.7990874 -2.6436172 -10.26139011 1.1759999999E-9 2.63E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.576E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.00000822 0.000018379999999 0.0000411 0.0000919 5466-84-2 230976 144207526 A B 4-Nitrophthalic anhydride [O-][N+](=O)c1ccc2C(=O)OC(=O)c2c1 Tox21_200328 -NCGC00258529-01 196701591 tox21-ror-cho-viability-p1 set1 4 -9.61873706 -8.43841436 -5.51657937 -12.45109569 -16.30326248 -7.77112858 -15.4921655 -9.36505298 1.68237321 -16.05666116 -15.99638546 -15.01309285 -16.58607453 -10.18892922 0.11770909 1.0889999999E-9 2.435E-9 5.445E-9 1.2169999999E-8 2.722E-8 6.087E-8 1.3609999999E-7 3.044E-7 6.806E-7 0.000001522 0.000003403 0.0000076089999999 0.00001701 0.000038049999999 0.000085069999999 107-19-7 7859 144208174 A Ac Propargyl alcohol C#CCO Tox21_200976 -NCGC00257895-01 196701593 tox21-ror-cho-viability-p1 set1 4 -11.92636785 -6.63083919 -3.82743352 0.66499255 -14.02057674 -9.22163096 -16.64658138 -13.05741029 -10.55325227 -13.74619668 -13.65044554 -9.46242904 -11.42735845 -12.31143292 -9.51637063 1.173E-9 2.622E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.3299999999E-7 0.0000016389999999 0.000003665 0.000008195 0.00001832 0.000040969999999 0.00009162 611-32-5 11910 144207539 A A 8-Methylquinoline Cc1cccc2cccnc12 Tox21_200341 -NCGC00257876-01 196701595 tox21-ror-cho-viability-p1 set1 4 34.3762428541 -27.132120432 -4 -31.132120432 0.4 0.4489011509 0.2252984251 -13.09234464 -5.52126894 -9.46337302 -3.79830709 -6.81079013 4.34566405 -12.53939452 -10.04938172 -1.16321059 -14.62302093 -13.40933467 -14.52968985 -10.37991853 -19.0376421 -22.61010036 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.0000036889999999 0.000008248 0.00001844 0.00004124 0.00009222 51-44-5 5817 144207520 Ac Ac 3,4-Dichlorobenzoic acid Clc1ccc(cc1Cl)C(=O)O Tox21_200322 -NCGC00253981-01 196699132 tox21-ror-cho-viability-p1 set1 4 76.9588215421 11.02385166 -1.02385166 10 4.9549173134 0.4562015882 0.2211019666 -2.83107504 -1.48152185 0.26829941 -1.61196294 3.70868406 -0.41778588 -1.24207622 1.35651858 -0.44318025 -0.9407676 0.16115986 -3.25209976 0.3095088 -6.68654305 8.00719796 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2416-94-6 17016 144210379 A A 2,3,6-Trimethylphenol Cc1ccc(C)c(O)c1C Tox21_300059 -NCGC00255024-01 196699114 tox21-ror-cho-viability-p1 set1 4 6.04313715 0.05149314 0.77882181 -0.99238844 6.09241015 -1.20407197 0.47447733 0.88997177 3.33078739 0.20988489 0.19241449 3.46320557 4.05105505 4.07249744 0.35985014 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 962-58-3 13754 144211442 A F Diazoxon Cc1cc(OP(=O)(OCC)OCC)nc(n1)C(C)C Tox21_301125 -NCGC00254901-01 196699116 tox21-ror-cho-viability-p1 set1 4 72.8297298982 11.3846990799 -0.3846990799 11 4.9549173134 0.3624360036 0.3103499347 0.58532625 1.25581703 -0.188654 -1.07432066 4.27302538 -6.1539159 -0.10919341 -0.06062971 4.68163779 -3.35477871 -0.91421263 -4.42802778 -2.55145956 0.14910501 7.76092034 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 106-69-4 7823 144211316 D 1,2,6-Hexanetriol OCCCCC(O)CO Tox21_300999 -NCGC00254352-01 196699122 tox21-ror-cho-viability-p1 set1 4 -3.62237505 -0.66078457 -0.74819688 0.23342762 2.76535176 1.40016082 -1.16835326 -1.2736784 1.47087333 0.10317903 2.49913411 -0.38874965 3.5342856 2.39977869 3.52380063 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2528-16-7 31736 144210943 A A Monobenzyl phthalate O=C(O)c2ccccc2C(=O)OCc1ccccc1 Tox21_300626 -NCGC00254941-01 196699533 tox21-ror-cho-viability-p1 set1 4 2.06655051 0.65068041 0.89846857 -0.96163607 -4.43867109 0.92736151 3.92649712 0.75091536 0.13463015 -0.3524611 0.39856916 -0.0123941 0.08907479 -3.55382041 5.79455651 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-61-0 7710 144211356 A A gamma-Nonanolactone O=C1CCC(CCCCC)O1 Tox21_301039 -NCGC00255044-01 196699535 tox21-ror-cho-viability-p1 set1 4 1.88304034 -0.49863452 -3.17896577 1.46660392 -3.88669181 0.44158145 0.24147879 2.35762488 2.72451316 1.75125761 0.04975959 0.00902747 0.1143719 2.34638762 0.22013298 1.1609999999E-9 2.5959999999E-9 5.804E-9 1.298E-8 2.9019999999E-8 6.489E-8 1.451E-7 3.245E-7 7.255E-7 0.000001622 0.000003628 0.000008112 0.00001814 0.00004056 0.000090689999999 134605-64-4 11826859 144211463 A A Butafenacil O=C(OCC=C)C(C)(C)OC(=O)c1cc(ccc1Cl)N2C(=O)C=C(N(C)C2=O)C(F)(F)F Tox21_301146 -NCGC00254467-01 196699347 tox21-ror-cho-viability-p1 set1 -1.1 21.6899429044 -85.0548594996 -3.332853073 -88.3877125726 1.92824246 0.9930485352 1E-10 -5.05674879 -0.42739759 -1.01887848 -7.13133791 -2.13900001 -0.42525302 -0.00851774 -6.85583815 -3.82549658 -5.3022258 -6.13403572 -13.7253555 -39.11605812 -69.58462979 -83.23483559 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2634-33-5 17520 144210807 A A 1,2-Benzisothiazolin-3-one O=C2NSc1ccccc12 Tox21_300489 -NCGC00254068-01 196698937 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -10.9870866799 1.5 -9.4870866799 4.9549173134 0.7344499136 0.0253584961 2.73249601 0.22195871 0.06656961 -0.10338129 0.2767624 4.42371517 0.04013313 1.44991186 0.47577548 1.44560403 2.47084295 -0.0848175 2.20054228 1.27212288 -7.4892389 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-00-6 8456 144210402 A A 2-tert-Butyl-4-methoxyphenol CC(C)(C)c1cc(ccc1O)OC Tox21_300082 -NCGC00253970-01 196698946 tox21-ror-cho-viability-p1 set1 4 10.8707224818 -13.1845460599 0 -13.1845460599 1.4641 0.6872685359 0.0442060351 -1.24275436 0.52095383 8.09395893 -4.84862257 -0.5474584 0.62075468 -5.10899863 0.73174765 -0.46057966 0.42105749 -0.29055129 -7.66268363 -7.38801801 -11.60837246 -13.07045505 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 742693-38-5 9954540 144210554 A C SSR504734 FC(F)(F)c3cccc(C(=O)N[C@H]([C@@H]1CCCCN1)c2ccccc2)c3Cl Tox21_300234 -NCGC00091261-03 196698948 tox21-ror-cho-viability-p1 set1 4 -2.02103132 3.72993136 0.71955683 2.07584263 0.13670812 0.22801743 2.6197432 -0.0753869 1.27456006 0.96280672 3.59876667 0.20986745 3.24600394 -0.0617457 -2.87345843 1.1699999999E-9 2.6159999999E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.539E-8 1.462E-7 3.269E-7 7.311E-7 0.000001635 0.0000036549999999 0.000008173 0.00001828 0.000040869999999 0.00009138 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00091297-05 196722633 tox21-ror-cho-viability-p1 set3 4 0.3738199 -1.81891542 1.68302278 -1.21773834 -2.63721518 0 -2.74821816 0.923217 10.17021973 1.9976757 -3.67797501 1.68677359 -3.75288717 -3.15545253 0.25462049 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 542-15-4 60196370 170465650 F Anilinium nitrate O[N+]([O-])=O.[NH3+]c1ccccc1 Tox21_113647_1 -NCGC00259232-01 196722220 tox21-ror-cho-viability-p1 set3 4 30.70018354 10.6844152239 -2.6844152239 8 4.9549173134 0.4931772997 0.2029719841 -3.11532684 0.08836945 3.76666813 -2.26114561 -2.13763522 -5.37934229 -5.32112771 -4.53610898 -3.56579436 0.79660982 -5.57034602 -3.05791875 -4.20673793 7.70603254 -0.97406724 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.386E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 326-61-4 9473 144208881 A A Piperonyl acetate CC(=O)OCc1ccc2OCOc2c1 Tox21_201683 -NCGC00253726-01 196722624 tox21-ror-cho-viability-p1 set3 2.4 9.4391758155 24.0590527189 2.09878671 26.1578394289 4.9549173134 0.7544595724 0.0181575485 2.71317376 1.14340713 -1.6398495 1.7047747 2.22647975 0.67023654 3.02657306 4.26480353 2.11224312 12.54320132 4.34341097 -8.27492614 15.41955025 19.02741518 32.01205464 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21228-13-7 30530 170466641 A F Dorastine Cc1ccc(cn1)CCn3c4ccc(Cl)cc4c2CN(C)CCc23 Tox21_113845 -NCGC00163886-05 196722629 tox21-ror-cho-viability-p1 set3 4 4.11165563 7.51731126 6.20641936 -1.34216138 6.16612636 7.56198244 0.20681984 -2.8224347 1.29739793 7.01554307 -0.05410818 10.39842033 3.79658717 9.66979441 9.05445358 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 299-84-3 9298 170466415 F Fenchlorphos Clc1cc(OP(=S)(OC)OC)c(Cl)cc1Cl Tox21_113416_1 -NCGC00015444-07 196722634 tox21-ror-cho-viability-p1 set3 4 0.4730794415 12.032716956 -3.032716956 9 4.4494702849 0.6963594931 0.0397790408 -2.43024389 1.17794426 1.92861872 0.74719261 -2.19491674 -4.7259598 -11.27726413 -6.41550808 -0.59330135 12.04502177 12.87509905 9.39547043 4.60378819 10.99161282 4.60796112 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67227-56-9 3341 170465321 A Fenoldopam Oc1ccc(cc1)C3CNCCc2c3cc(O)c(O)c2Cl Tox21_110152_1 -NCGC00167472-03 196722638 tox21-ror-cho-viability-p1 set3 4 -1.36937783 -0.36965477 -0.82394827 -1.87740897 -1.56616657 0.44175699 -1.27606827 -0.27213163 -13.70359256 -2.68975776 -4.11700049 -0.53557542 -4.27912548 -1.21211066 5.85935844 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68302-57-8 2161 170465365 A Amlexanox CC(C)c1cc2C(=O)c3cc(c(N)nc3Oc2cc1)C(=O)O Tox21_112476_1 -NCGC00247693-01 196723042 tox21-ror-cho-viability-p1 set3 4 0.5444144339 14.8108744359 -15.8108744359 -1 4.9549173134 0.7926068081 0.009254244 -15.18833218 -10.38514863 -11.46667689 -11.91353783 -18.21983252 -19.77741386 -20.25906203 -18.31305911 2.35184008 -1.4494379 3.30402713 -0.53259092 -1.30694178 -7.15162403 -1.40080595 1.2979999999E-9 2.902E-9 6.488E-9 1.4509999999E-8 3.244E-8 7.2539999999E-8 1.622E-7 3.627E-7 8.111E-7 0.000001814 0.0000040549999999 0.0000090679999999 0.00002028 0.00004534 0.0001014 1473-95-6 60196321 144206396 A A N-[1-(2-Hydroxy-2-phenylethyl)-4-piperidyl]-N-phenylpropanamide hydrochloride Cl.OC(CN1CCC(CC1)N(c2ccccc2)C(=O)CC)c3ccccc3 Tox21_112843 -NCGC00253719-01 196723049 tox21-ror-cho-viability-p1 set3 4 -3.01721284 -4.69493745 -2.17498498 0.48560852 -1.19017281 -0.58058667 -0.93144958 4.28555088 -4.91613492 -1.50151252 -14.46902733 -10.75948833 -3.85711298 -0.6916145 6.33186105 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53786-28-0 104607 170466670 A A 5-Chloro-1-(4-piperidyl)-1H-benzimidazol-2(3H)-one Clc1cc2NC(=O)N(c2cc1)C3CCNCC3 Tox21_113838 -NCGC00256320-01 196727379 tox21-ror-cho-viability-p1 set3 4 -7.05750435 -4.99434936 -4.37362649 -2.24595656 -6.44625178 -4.26899153 2.31804051 -1.2172711 -14.53419537 -8.20165369 -0.70819539 2.34887122 -3.61199367 -5.19568897 0.54912049 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-56-9 5111791 144213128 A A 4-Nitro-1,2-phenylenediamine Nc1ccc(cc1N)[N+]([O-])=O Tox21_302811 -NCGC00260340-01 196724403 tox21-ror-cho-viability-p1 set3 4 0.0013477071 9.5515348 -5.0515348 4.5 0.8999999999 0.8581514836 0.0017799629 -4.626279 -3.65616345 -2.88924898 -1.61438238 -0.12595823 1.3414973 2.43292569 2.83655246 5.23801922 5.52828348 5.28920116 5.26294213 5.15801502 0.00235878 5.11083729 5.952E-11 1.331E-10 2.976E-10 6.654E-10 1.4879999999E-9 3.3269999999E-9 7.44E-9 1.664E-8 3.7199999999E-8 8.318E-8 1.86E-7 4.1589999999E-7 9.3E-7 0.000002079 0.00000465 124-25-4 31291 144209992 Fns Tetradecanal CCCCCCCCCCCCCC=O Tox21_202794 -NCGC00260656-01 196724406 tox21-ror-cho-viability-p1 set3 4 -3.09828824 0.45120458 0.51462322 -3.86180874 3.27083564 -2.72725738 -1.63215944 -2.71751386 -1.36649425 -1.35073814 -1.30089616 -0.06887345 -0.06214104 0.09373417 -3.18533135 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49552 144210309 M M NTP Mix22 AR2 2-EQP Tox21_203111 -NCGC00260639-01 196724803 tox21-ror-cho-viability-p1 set3 4 -2.11272198 1.98614951 3.24708512 2.37862185 -0.02124442 1.51836474 -8.32702321 4.00773915 2.84141234 0.70683605 -5.74993253 6.10364065 0.34678574 -0.30249452 -0.66530119 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49535 144210292 M M NTP Mix115 ER1 10-EQC Tox21_203094 -NCGC00256527-01 196726560 tox21-ror-cho-viability-p1 set3 4 6.8589621897 5.1783388039 -4.1783388039 1 4.9549173134 0.3511598761 0.3204528206 1.22015579 1.63358235 -7.29386399 -5.2520667 -1.03222226 -1.69511339 -8.89861567 -8.75550011 -5.89571199 -7.58313713 -5.02732509 -0.07681525 0.4212301 1.83903154 1.08791901 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-80-0 2206 144213343 A A Phenazone O=C2C=C(C)N(C)N2c1ccccc1 Tox21_303026 -NCGC00257063-01 196726961 tox21-ror-cho-viability-p1 set3 4 2.95921502 0.53036031 0.65527125 -5.01407859 0.37872599 0.48597336 -0.11073799 3.84487739 3.27165684 1.92322008 3.495994 -0.70250682 -0.63423195 0.79931363 -0.68467316 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 118-56-9 8362 144213399 A Ac 3,3,5-Trimethylcyclohexyl salicylate O=C(OC1CC(C)CC(C)(C)C1)c2ccccc2O Tox21_303082 -NCGC00256812-01 196726980 tox21-ror-cho-viability-p1 set3 4 61.130564862 -27.1230845039 0.5 -26.6230845039 2.09374246 0.7890082065 0.0099779239 1.6911071 -1.01685485 -2.36126156 -2.1977489 -2.38938585 0.43732923 2.1213474 5.58385383 3.04368452 4.13445804 1.31087493 -4.62687631 -2.19546283 -6.5792084 -18.85257042 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21834-92-4 576026 144212775 Z F 5-Methyl-2-phenyl-2-hexenal CC(C)CC=C(C=O)c1ccccc1 Tox21_302458 -NCGC00257413-01 196727383 tox21-ror-cho-viability-p1 set3 -2.1 54.4826732819 -111.6295702224 0.3891348769 -111.2404353455 1.92824246 0.995832266 0 -0.2522333 -1.53904689 0.22914735 0.1726875 -1.00661093 0.9470424 0.57988786 1.19763373 0.10554678 1.10358342 1.83559415 -0.45285048 -14.44919214 -39.49804171 -84.27305708 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27193-86-8 171144 144213676 Z F Dodecylphenol Oc1ccccc1CCCCCCCCCCCC Tox21_303360 -NCGC00256543-01 196727388 tox21-ror-cho-viability-p1 set3 -2.2 30.6378586933 -49.6177037358 -3.470479329 -53.0881830648 1.5094870999 0.9645255158 0.0000012525 -0.06510637 -2.45775959 -6.7936227 -3.65417285 0.54906823 -4.54290782 -4.86710781 -1.86009607 -3.6424792 -3.65437354 -7.75725525 -9.99907889 -19.55160269 -29.087361 -49.15572506 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-23-4 3037 144213330 A A Dichlorophen Oc2ccc(Cl)cc2Cc1cc(Cl)ccc1O Tox21_303013 -NCGC00257117-01 196727389 tox21-ror-cho-viability-p1 set3 4 0.8908932 -5.74073387 -5.35565116 -4.4736051 -1.17448243 1.08163222 -5.77142952 0.81583592 -0.49670182 0.740264 3.51156291 0.24051567 -0.25561877 1.07229127 2.11848278 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-49-9 8119 144213621 F Fns Hexamethyleneimine C1CCCCCN1 Tox21_303304 -NCGC00256503-01 196727401 tox21-ror-cho-viability-p1 set3 4 -0.05931877 0.78741634 -5.83276002 -4.74452848 -6.09492727 -0.767155 -5.51743642 0.9323067 2.15647372 1.03587759 0.87151548 -0.36709202 -0.09024464 1.1543215 3.88258237 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-05-9 7274 144213261 Fns Allyl methacrylate C=C(C)C(=O)OCC=C Tox21_302944 -NCGC00255445-01 196727804 tox21-ror-cho-viability-p1 set3 4 0.6851987566 -8.7947136 1.5 -7.2947136 4.9549173134 0.5586379597 0.1286756151 0 0.28877984 6.70986235 2.88679809 -5.58155814 -5.88705795 8.22631358 6.15747393 -4.06404721 -7.51418476 -6.15972654 -6.89626039 -8.42532401 -5.89037625 -8.578928 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 24650-42-8 90571 144212467 A A 2,2-Dimethoxy-1,2-diphenylethanone COC(OC)(C(=O)c1ccccc1)c2ccccc2 Tox21_302150 -NCGC00256074-01 196727820 tox21-ror-cho-viability-p1 set3 4 -2.28682523 -3.97875839 0.72376842 -0.79989348 -2.05015155 -1.41049354 -1.87053579 -0.65042225 1.76761357 -1.5300372 -0.94945183 -4.43626701 3.79071041 -2.08792507 0.03586914 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7397-62-8 81882 144212245 A A Butyl hydroxyacetate OCC(=O)OCCCC Tox21_301928 -NCGC00257947-01 196702130 tox21-ror-cho-viability-p1 set1 4 0.4332114006 -11.899867852 0 -11.899867852 1.0999999999 0.7730813477 0.0133949289 -2.63094689 -0.68754179 0.0715145 -0.66847822 1.20285239 3.88865748 -6.91878764 -7.07619424 -3.45005561 -11.19364968 -10.71382126 -13.14033096 -9.83441429 -8.70379538 -15.33322321 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004127 0.00009229 83055-99-6 54960 144207591 A A Bensulfuron-methyl O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc2ccccc2C(=O)OC Tox21_200393 -NCGC00090827-04 196701729 tox21-ror-cho-viability-p1 set1 4 77.4286392264 18.1148493199 -0.1148493199 18 4.9549173134 0.5163625124 0.1647596821 4.76383275 4.05940615 -0.41217063 0.07276902 1.03455571 -8.4290411 -2.25393273 -1.55618021 -1.2133027 1.07542022 -0.08357598 0.02255909 3.81023463 -1.75633763 12.78243553 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00257830-01 196701735 tox21-ror-cho-viability-p1 set1 4 13.19977669 8.2414591439 -1.2414591439 7 2.2526478767 0.520144138 0.1617248698 2.07236156 -4.30695042 -4.02489473 -3.31813558 1.46053322 -3.69180315 -3.43178678 5.28658351 -1.14478418 -0.12287205 -5.61788262 1.81501013 4.23667797 5.63702707 7.50288114 1.1449999999E-9 2.56E-9 5.724E-9 1.28E-8 2.8619999999E-8 6.399E-8 1.431E-7 3.2E-7 7.155E-7 0.0000016 0.000003577 0.0000079989999999 0.00001789 0.000039999999999 0.00008943 106-89-8 7835 144207474 AC A Epichlorohydrin ClCC1CO1 Tox21_200276 -NCGC00258522-01 196702129 tox21-ror-cho-viability-p1 set1 4 -4.44747055 -8.74131885 -9.36849527 0.75282952 -9.6137453 1.1240078 -6.69923697 -9.24736952 -6.25297695 -6.77176477 -8.17632122 -8.39208439 -8.46487704 -6.67929274 -1.3322674 1.154E-9 2.5809999999E-9 5.772E-9 1.291E-8 2.886E-8 6.453E-8 1.443E-7 3.227E-7 7.215E-7 0.0000016129999999 0.000003607 0.000008066 0.000018039999999 0.000040329999999 0.00009018 106-38-7 7805 144208167 AC Fns 4-Bromotoluene Cc1ccc(Br)cc1 Tox21_200969 -NCGC00258270-01 196702131 tox21-ror-cho-viability-p1 set1 4 21.7120023439 9.7471662439 -2.2471662439 7.5 4.9549173134 0.584780973 0.1088960226 -2.49077512 -0.09206301 -1.65215005 -0.04343245 0.2125725 0.8611793 -6.00913277 -2.2508277 -6.36019186 -7.70597187 1.8249282 -1.25210103 0.0928574 7.65724125 6.7400562 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.302E-7 7.3839999999E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.0000923 785-30-8 69917 144207914 A A 4,4'-Diaminobenzanilide O=C(Nc1ccc(N)cc1)c2ccc(N)cc2 Tox21_200716 -NCGC00018221-08 196702136 tox21-ror-cho-viability-p1 set1 4 4.44258893 -4.21988251 0.10870397 -1.93733335 2.68163359 -5.41284874 -3.41052503 -5.1629958 -5.2570027 -0.4948771 -0.22590652 0.04499457 -4.85283797 -2.08498832 -9.02682401 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00258137-01 196702153 tox21-ror-cho-viability-p1 set1 4 -0.6687941 1.8938955 1.71910346 2.14266688 1.85946729 7.38243717 5.33241542 1.54873676 3.59787816 -0.62566454 7.06905403 -0.92245369 0.64848484 0.26660749 5.15786083 1.1739999999E-9 2.625E-9 5.87E-9 1.3129999999E-8 2.9349999999E-8 6.5629999999E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003669 0.000008203 0.00001834 0.00004102 0.000091709999999 98892-75-2 2734167 144207781 A A 1-Butyl-2,3-dimethylimidazolium chloride [Cl-].CCCCn1cc[n+](C)c1C Tox21_200583 -NCGC00258533-01 196702545 tox21-ror-cho-viability-p1 set1 4 0.0221982508 -4.839734364 -8.17867504 -13.018409404 4.9549173134 0.4418466855 0.2522669416 -10.45654143 -8.26146251 -8.21945622 -5.9822292 -13.29649133 -9.94885204 -13.34294384 -16.26534117 -9.88494815 -16.03021945 -15.06738831 -10.83171882 -10.06094142 -12.63479712 -1.09981912 1.203E-9 2.6889999999E-9 6.014E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003759 0.000008404 0.000018789999999 0.00004202 0.000093959999999 615-28-1 11990 144208178 D 1,2-Phenylenediamine dihydrochloride Cl.Cl.Nc1ccccc1N Tox21_200980 -NCGC00090965-04 196702544 tox21-ror-cho-viability-p1 set1 4 6.38683981 2.12049851 4.13306563 10.85670503 2.36745065 3.15276089 2.12544113 6.02411986 3.36733129 1.82304674 0.11819288 4.50253956 5.05979114 1.0601374 2.55235449 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00091380-04 196702548 tox21-ror-cho-viability-p1 set1 4 0.82219015 5.02880295 4.13791446 -1.4355917 -0.10154653 6.08477361 2.87455244 0.91865005 4.05793829 -2.10180006 5.25645029 5.06607679 0.04352597 4.00881224 0.30563035 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00258002-01 196702553 tox21-ror-cho-viability-p1 set1 4 -1.52335771 3.94604062 3.55541866 5.71160412 -1.91083566 3.11890809 -11.05511588 0.33341309 1.48561419 0.62643633 -1.44225338 2.40809363 3.69872451 2.77735154 1.72341779 1.195E-9 2.672E-9 5.975E-9 1.336E-8 2.988E-8 6.6809999999E-8 1.494E-7 3.34E-7 7.469E-7 0.0000016699999999 0.000003735 0.000008351 0.00001867 0.00004175 0.00009336 598-98-1 69027 144207646 FNS Methyl pivalate CC(C)(C)C(=O)OC Tox21_200448 -NCGC00163735-04 196702560 tox21-ror-cho-viability-p1 set1 4 51.4855750377 -22.5168381439 -3 -25.5168381439 1.0999999999 0.7341411188 0.0247049496 -3.9332938 1.37444418 -8.36875327 -2.4188984 -2.59230344 -3.81307481 -4.42746944 1.55300558 -3.56333833 -3.696121 -7.53156873 -1.73945001 -11.29600037 -11.49671982 -19.59736512 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00253590-01 196725117 tox21-ror-cho-viability-p1 set3 4 0.95937323 0.26187208 -0.33372431 -1.88328723 2.31321346 -1.86583096 8.99108094 3.4434905 4.48654736 -0.715892 -1.59797013 3.8390191 -1.37343761 1.65545264 2.31099661 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 19504-77-9 5354035 170465957 F Fns Variotin O=C1CCCN1C(=O)/C=C/C=CC(\C)=C\C(O)CCCC Tox21_113727 -NCGC00255513-01 196700374 tox21-ror-cho-viability-p1 set1 4 -2.47396589 -0.51367028 -1.92415356 -2.31060361 -12.66291332 -6.03794624 -1.05030637 -2.3244537 -0.13056768 -3.41585052 -6.2565693 -5.65954621 -1.66323226 -14.73491169 -14.69376561 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55814-41-0 41632 144212748 A A Mepronil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C Tox21_302431 -NCGC00254270-01 196699963 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -56.9366465115 -2.135221346 -59.0718678575 4.0449729863 0.965696051 0.0000010379 0.46443478 -6.3470989 -0.94843557 -0.77099083 -5.88249899 -0.94418665 0.13462805 -4.89927365 -3.29378653 -0.88664262 -3.84583479 -1.90249382 -1.45370829 -8.5393069 -45.88777868 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2687-96-9 62459 144210692 A A 1-Dodecyl-2-pyrrolidinone O=C1CCCN1CCCCCCCCCCCC Tox21_300374 -NCGC00256028-01 196700367 tox21-ror-cho-viability-p1 set1 4 -6.37206635 -4.51084978 -3.17402237 0.27444344 -2.01744003 -4.49305622 1.00049054 -5.94262722 -5.90681665 -6.33326498 -3.38464086 -4.97054656 4.04280975 -6.29987593 1.57328876 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23432-62-4 90098 144212123 F A Methyl [3-(trimethoxysilyl)propyl]carbamate CO[Si](CCCNC(=O)OC)(OC)OC Tox21_301806 -NCGC00257534-01 196700370 tox21-ror-cho-viability-p1 set1 4 27.3060203028 5.268496872 -1.768496872 3.5 4.9549173134 0.396509982 0.2790164871 -0.43128309 0.24555843 -4.27044479 0.11998966 -2.10127823 0.20714542 -0.37132001 -4.29269436 -5.64041406 0.17134591 -4.86993135 -0.21746136 -3.55183046 5.44078685 1.81099399 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-63-7 31264 144211616 Fns Paraldehyde CC1OC(C)OC(C)O1 Tox21_301299 -NCGC00255972-01 196700378 tox21-ror-cho-viability-p1 set1 -1.2 4.3277125691 -29.4083322271 -1 -30.4083322271 4.9549173134 0.8976485122 0.0003614726 -3.13830284 -0.34624284 -3.62941713 1.65044406 -3.46209655 0.50897143 0.79610972 1.49255411 -3.31512271 -4.18764524 -8.25546052 -34.74350231 -31.61824937 -18.21482827 -36.36284607 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13453-07-1 26030 144212433 Gold trichloride Cl[Au](Cl)Cl Tox21_302116 -NCGC00256030-01 196700379 tox21-ror-cho-viability-p1 set1 4 13.6854287769 7.878437652 0.121562348 8 3.1319983358 0.5392217461 0.145471595 4.79794173 -1.46874607 -5.31536471 0.98761158 -1.16053275 6.2343634 -2.19299032 -1.15113525 -0.41077598 0.88041785 -1.78606085 0.83593549 5.99484872 8.92256094 6.80379893 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13708-12-8 61670 144212599 A Fns 5-Methylquinoxaline Cc1cccc2nccnc12 Tox21_302282 -NCGC00255638-01 196700381 tox21-ror-cho-viability-p1 set1 4 1.33545467 1.12012 -0.77056352 0.65331962 -0.61237532 -0.49674566 3.00199452 0.30440931 1.64577776 5.14922653 5.42360594 3.20091091 1.41163439 4.22590183 4.09300217 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52304-36-6 104150 144212089 A A Ethyl 3-(N-butylacetamido)propionate O=C(CCN(CCCC)C(C)=O)OCC Tox21_301772 -NCGC00255224-01 196700382 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -20.1326348399 1 -19.1326348399 4.9549173134 0.7425576037 0.0219368258 -1.34713327 3.16332519 3.14937005 3.56040393 -1.53724887 1.28225457 1.92897802 3.89478761 2.62822228 -5.01614678 -0.55736424 4.14130649 -0.08701007 0.15653286 -15.5271957 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24448-94-0 90509 144211554 A A 5,5-Dimethylbarbituric acid CC1(C)C(=O)NC(=O)NC1=O Tox21_301237 -NCGC00255242-01 196700776 tox21-ror-cho-viability-p1 set1 4 0.20514496 0.12322655 0.05779751 1.3268809 -0.34303543 0.08303027 1.68062381 0.51883795 1.75583089 1.3938076 0.40873689 2.52219581 0.326075 4.24799417 1.1833552 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 3039-83-6 3270262 144211783 Sodium ethenesulfonate [Na+].[O-]S(=O)(=O)C=C Tox21_301466 -NCGC00255025-01 196698743 tox21-ror-cho-viability-p1 set1 4 2.08526168 0.24032651 -2.69080283 0.24013531 -1.55881327 0.26871578 0.65127464 -2.19082779 4.11609388 0.27649204 -1.74935343 -2.3526203 0.23465448 1.09706417 7.24385695 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-86-5 7462 144211443 FNS alpha-Terpinene CC(C)C1=CC=C(C)CC1 Tox21_301126 -NCGC00016255-10 196698330 tox21-ror-cho-viability-p1 set1 4 2.80848946 3.27336975 -0.05818638 0.23996439 1.11576394 2.08225961 1.40262503 1.59520712 1.52142319 1.66980818 0.46300702 0.10520066 2.01932303 2.81190387 -0.83177635 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-96-5 5342 170464677 A Sulfinpyrazone O=C4C(CCS(=O)c1ccccc1)C(=O)N(c2ccccc2)N4c3ccccc3 Tox21_110331_1 -NCGC00254049-01 196698723 tox21-ror-cho-viability-p1 set1 4 0.28364095 0.00236278 2.63135749 1.26102311 1.76918916 1.05638418 1.1593239 2.48945923 2.16508641 2.98948603 2.34474267 0.72077842 0.0496987 3.07981522 2.66802489 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-94-7 31307 144210498 A A Triamcinolone OCC(=O)[C@@]3(O)[C@H](O)C[C@H]2[C@@H]4CCC1=CC(=O)C=C[C@]1(C)[C@@]4(F)[C@@H](O)C[C@@]23C Tox21_300178 -NCGC00255020-01 196698740 tox21-ror-cho-viability-p1 set1 4 0.94387261 0.37102714 -1.89536264 -0.2915695 0.38899291 -0.40641164 1.68297601 -0.97975423 1.90696945 0.713958 0.47942777 1.95864461 7.43478153 1.41928529 6.22266233 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1878-49-5 74651 144211438 Ac Ac (2-Methylphenoxy)acetic acid O=C(O)COc1ccccc1C Tox21_301121 -NCGC00254926-01 196720392 tox21-ror-cho-viability-p1 set3 4 0.0016579723 17.36390442 -20.26413566 -2.90023124 0.5 0.6912511873 0.0521561094 -11.7727565 -15.22011305 -8.12233048 -4.39947353 -8.49315847 -6.80495399 -4.8168089 -4.72056616 -4.79646037 -0.7501927 -3.2845002 -5.10686464 -3.92528703 -5.19224636 -21.15020863 7.7859999999E-10 1.7409999999E-9 3.893E-9 8.705E-9 1.947E-8 4.353E-8 9.733E-8 2.176E-7 4.8659999999E-7 0.000001088 0.000002433 0.0000054409999999 0.000012169999999 0.000027199999999 0.00006083 153233-91-1 153974 144211341 A A Etoxazole CC(C)(C)c1cc(OCC)c(cc1)C2N=C(OC2)c3c(F)cccc3F Tox21_301024 -NCGC00254893-01 196719989 tox21-ror-cho-viability-p1 set3 4 -4.08705006 -5.15227551 2.38945905 -7.89022877 0.17496388 2.32981104 -2.83481708 -6.24784937 3.58586954 2.69460758 -4.45108512 1.789661 1.23674714 -2.64338731 2.36389946 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-12-1 7693 144211308 Ac 4-Chlorophenyl isocyanate Clc1ccc(/N=C=O)cc1 Tox21_300991 -NCGC00254161-01 196720383 tox21-ror-cho-viability-p1 set3 4 4.76983195 4.05359325 -4.04901021 8.12614118 14.55548786 3.47610452 -5.48082518 -6.78322542 10.73902421 10.23675752 -4.43245166 11.39794705 15.06791211 7.06751354 4.88090607 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-29-7 7292 144210482 A I 2-Butanone oxime C/C(CC)=N\O Tox21_300162 -NCGC00254110-01 196720388 tox21-ror-cho-viability-p1 set3 1.1 1.5355303643 54.0662834216 3.524467078 57.5907504996 1.826479391 0.9685492669 0.0000019217 6.40796712 3.51300293 5.43694195 8.74424668 3.06063844 -3.38086679 2.42053822 8.16704057 8.65667576 34.75257524 48.84268851 52.46987865 51.74301931 64.98898869 36.19013973 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 298198-52-4 9797360 144210561 A A SSR180711 Brc1ccc(cc1)OC(=O)N3CCN2CCC3CC2 Tox21_300241 -NCGC00090952-07 196720394 tox21-ror-cho-viability-p1 set3 4 7.06499624 3.21168254 8.44129131 10.4879518 8.62594041 6.58882136 4.00201025 19.93611971 7.41224192 5.9396202 18.89381279 7.61384832 6.41631294 6.25330603 0.76207246 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00255084-01 196720401 tox21-ror-cho-viability-p1 set3 4 0.019331182 12.0621003239 -3.0621003239 9 4.9549173134 0.46279578 0.2121524938 1.78323709 -2.63860585 -3.24029709 -8.80175027 15.75827877 -3.8267755 11.5120582 5.32520053 5.14049646 17.28106699 12.43765363 12.60134632 10.56607412 6.81634586 4.79256921 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-66-4 7881 144211503 A A Phosphoric acid, dibutyl ester CCCCOP(O)(=O)OCCCC Tox21_301186 -NCGC00254360-01 196720798 tox21-ror-cho-viability-p1 set3 4 0.6113056486 8.097949584 -8.715847608 -0.617898024 0.8999999999 0.3469775179 0.3230884458 -2.58487003 -16.01320634 -3.82705706 -15.99398614 -2.75339479 -14.05576514 -3.60840994 -2.02001385 -10.31210309 -1.34200172 -0.51491502 -0.91581814 -1.83386027 -1.17877992 -0.58127373 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-84-0 8346 144210867 A A Dioctyl phthalate O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCC Tox21_300549 -NCGC00256942-01 196718319 tox21-ror-cho-viability-p1 set2 4 2.7306020303 5.6230011799 -4.1230011799 1.5 2.2526478767 0.3109700072 0.358341916 0.78379134 -5.03040329 -3.09500239 2.32473556 -11.76916765 -8.15554234 -8.49778631 -0.20703598 -1.96656331 -4.00918532 -0.20752826 2.95727144 -0.84974814 0.37202385 3.35804475 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-91-8 8083 144213557 Morpholine C1CNCCO1 Tox21_303240 -NCGC00167521-02 196717904 tox21-ror-cho-viability-p1 set2 4 3.4433891 0.33890783 0.9915729 3.22211676 2.03620513 5.90248122 1.82951382 2.15107689 4.18666902 2.77576839 1.07083921 -2.02927916 1.21495375 1.71063096 0.10450165 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 113712-98-4 636411 170465931 A Tenatoprazole Cc3c(OC)c(C)cnc3CS(=O)c1nc2nc(ccc2n1)OC Tox21_112518_1 -NCGC00256532-01 196718301 tox21-ror-cho-viability-p1 set2 4 0.07929823 2.81686318 2.36477304 2.06485637 1.05737083 3.18520858 -0.01604347 6.48759 2.60555197 4.16771658 3.68418113 4.36842809 1.71428547 4.3762003 3.04188126 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 932-83-2 13613 144213137 A A N-Nitrosohexamethyleneimine O=NN1CCCCCC1 Tox21_302820 -NCGC00244580-01 196718310 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -25.06000994 -1.5 -26.56000994 4.9549173134 0.4595987951 0.2151410212 -0.00671583 -2.87701141 -1.51615559 -0.79671375 -20.88876793 1.49918917 -0.18852543 -0.62602866 0.77464859 3.10158027 -1.9029616 1.22455179 3.30809454 -3.7501947 -21.71667495 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00015675-08 196718720 tox21-ror-cho-viability-p1 set2 4 2.7306020303 6.9685942959 -3.9685942959 3 1.4641 0.5413885318 0.1438831329 -3.29706327 0.27605813 -5.19701634 -3.30927732 -8.72382858 -3.3483982 -5.37935153 -1.69211416 -0.51903503 -4.58032035 0.55013152 4.93255573 1.12515653 -0.66144047 5.46674165 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00257283-01 196718737 tox21-ror-cho-viability-p1 set2 4 -2.08490054 -2.98274222 -5.52429192 -8.2470933 -7.31557275 -5.54527863 -3.31952909 -0.95344851 -1.41830086 -3.53351014 -0.43416681 -0.92923517 0.98788197 -1.52308705 -11.29292629 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 797-63-7 13109 144213960 A A Norgestrel O=C4CC[C@H]3C(CC[C@@H]2[C@@H]3CC[C@@]1(CC)[C@H]2CC[C@@]1(O)C#C)=C4 Tox21_303658 -NCGC00256371-01 196718723 tox21-ror-cho-viability-p1 set2 4 -4.99283249 0.50906928 1.12006418 -2.82343238 -0.51749846 -19.25091442 1.15077128 -4.62709587 -1.18681334 -10.07220489 -3.60285604 -3.35887358 -3.84010496 -2.03185321 -2.46970867 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-68-1 5327 144213323 A A Sulfamethazine O=S(=O)(Nc1nc(C)cc(C)n1)c2ccc(N)cc2 Tox21_303006 -NCGC00256818-01 196718728 tox21-ror-cho-viability-p1 set2 4 0.7028071 3.70331294 1.92247364 1.47113939 2.58888864 8.4289922 3.41376978 5.5977166 6.48544193 2.73055763 6.08649706 2.10316508 4.3716015 1.84599737 1.61779666 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61791-12-6 144212860 M M Cremophor EL Tox21_302543 -NCGC00256453-01 196718740 tox21-ror-cho-viability-p1 set2 4 -1.54168016 1.28800313 0.72156414 -3.13568085 -1.22202299 -0.59564908 -0.1295571 1.44484349 1.33834098 0.8239316 -0.63900001 -0.41714919 2.14753071 -0.02734006 1.64162003 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 262-12-4 9216 144213148 A Ac Dibenzo-p-dioxin c1ccc2Oc3ccccc3Oc2c1 Tox21_302831 -NCGC00090776-02 196719149 tox21-ror-cho-viability-p1 set2 4 -0.23375832 1.62733243 -0.34001139 2.06736697 -0.08083623 4.73382365 0.65963232 3.60522859 3.63883853 6.49071017 2.6822646 -0.22607662 -0.08344581 0.03755826 4.14630319 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009079 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00256913-01 196719151 tox21-ror-cho-viability-p1 set2 4 0.71994208 1.74766626 -0.72489429 1.73881212 0.44237953 5.29335985 0.73530884 -0.03021109 0.3471349 5.39532114 7.4700146 -3.5553544 -0.62322875 4.71895691 6.67910887 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 628-97-7 12366 144212822 A Fns Ethyl hexadecanoate O=C(CCCCCCCCCCCCCCC)OCC Tox21_302505 -NCGC00257105-01 196719157 tox21-ror-cho-viability-p1 set2 4 2.1775924 0.72331366 2.27729081 1.99489566 2.21788186 1.89488003 -0.38599357 2.81236657 1.96590323 0.1467614 2.70604982 2.0473511 3.76389156 4.32122287 3.4509276 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4083-64-1 77703 144213453 F F 4-Methylbenzenesulfonyl isocyanate Cc1ccc(cc1)S(=O)(=O)/N=C=O Tox21_303136 -NCGC00253987-01 196719579 tox21-ror-cho-viability-p1 set3 4 0.7609873078 -12.9054263439 -2 -14.9054263439 3.1319983358 0.4746707185 0.2010320429 -4.16319331 -8.00065072 3.19712041 0.63536548 0.141685 -2.45048743 -2.87430802 -4.16586021 -5.94137844 -22.65280175 -5.83104052 -20.9335754 0.7938447 -23.67118862 -18.44776016 1.1689999999E-9 2.6129999999E-9 5.843E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.461E-7 3.2659999999E-7 7.3029999999E-7 0.0000016329999999 0.000003652 0.0000081649999999 0.00001826 0.000040829999999 0.00009129 112-53-8 8193 144210440 A A 1-Dodecanol CCCCCCCCCCCCO Tox21_300120 -NCGC00254960-01 196719613 tox21-ror-cho-viability-p1 set3 -1.1 8.547183621 -91.820247153 -2.247033783 -94.067280936 1.5385888099 0.9601718325 0.0000023898 -0.55722094 -0.484934 -8.11534667 -5.21155771 0.33512473 -5.31489682 0.69329983 -5.56095544 -4.09360311 -0.30895636 -22.03907381 -58.10485834 -56.2585029 -96.777038 -90.27304257 1.1699999999E-9 2.617E-9 5.851E-9 1.3079999999E-8 2.926E-8 6.542E-8 1.463E-7 3.271E-7 7.314E-7 0.0000016359999999 0.000003657 0.000008178 0.00001829 0.000040889999999 0.00009143 6317-18-6 22772 144211375 A Methylene bis(thiocyanate) N#CSCSC#N Tox21_301058 -NCGC00257256-01 196719169 tox21-ror-cho-viability-p1 set2 4 -4.41029652 -1.71798397 -0.61334643 -1.96528118 -3.39842446 -0.81739731 -4.67201928 -0.82453863 -1.07330246 2.20170726 -0.92220345 0.41152251 -2.87313849 -0.70873796 -3.39166521 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-99-4 7360 144213705 A Tetrahydrofurfuryl alcohol OCC1CCCO1 Tox21_303393 -NCGC00256328-01 196719178 tox21-ror-cho-viability-p1 set2 4 0.16465588 0.11138824 1.7177454 -2.79179304 -0.29562611 0.00483975 0.09949446 3.88854454 0.60022664 -5.55517512 -0.14508865 0.20365624 0.48647497 0.54907376 0.00099662 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-88-1 60962 144213253 Z F Phenylhydrazine hydrochloride Cl.NNc1ccccc1 Tox21_302936 -NCGC00254228-01 196719607 tox21-ror-cho-viability-p1 set3 4 18.19593629 17.83861202 20.13993205 25.69848446 16.65112013 20.36552577 0 16.62486155 2.30094414 13.98791843 30.58377443 7.60385488 -16.91625788 -5.12442731 -23.1279907 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 145742-28-5 9821217 144210525 A A CP-122721 FC(F)(F)Oc3cc(CN[C@H]1CCCN[C@H]1c2ccccc2)c(OC)cc3 Tox21_300205 -NCGC00254918-01 196720017 tox21-ror-cho-viability-p1 set3 1.4 0.0038570779 18.870286964 -24.235888084 -5.36560112 0.6 0.7177416572 0.0308949837 -14.25394552 -21.86324007 -11.62949849 -9.18103445 -9.85713609 -10.02308258 -6.78922508 -7.13743876 -6.74379777 -5.17030911 -2.8046676 -5.88418477 -5.33678588 -6.68636838 -8.62658703 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 330-54-1 3120 144211333 A A Diuron Clc1ccc(NC(=O)N(C)C)cc1Cl Tox21_301016 -NCGC00254672-01 196698718 tox21-ror-cho-viability-p1 set1 4 0.3421688 -0.40608686 -4.4779488 0.57401235 1.86712076 0.06503559 4.29586067 1.00952113 5.43955868 1.34203417 0.89239806 2.07397881 3.53265712 0.01649806 0.93982828 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 618-88-2 12069 144211085 A A 5-Nitroisophthalic acid O=[N+]([O-])c1cc(cc(c1)C(=O)O)C(=O)O Tox21_300768 -NCGC00189073-02 196698286 tox21-ror-cho-viability-p1 set1 4 16.7854920005 -11.790520808 -1 -12.790520808 1.0999999999 0.6879975407 0.0443961926 0.48476452 -0.32924252 -4.15554251 0.34389031 -2.17418573 -0.41981165 -0.53054616 -2.69268814 -0.00160921 3.45895174 -3.68536537 -4.80410074 -4.90187136 -6.22449196 -10.65876734 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 606143-52-6 10127622 170466898 A Selumetinib Brc3ccc(Nc1c(F)c2ncn(C)c2cc1C(=O)NOCCO)c(Cl)c3 Tox21_113362_1 -NCGC00016602-04 196698292 tox21-ror-cho-viability-p1 set1 4 -1.50061758 -1.27793609 -5.37713628 -0.60456915 1.00861493 0.01061786 -1.1244525 -1.25066944 4.18379583 1.31996454 1.46872553 0.61300613 -2.5613558 -1.63064307 -4.97806968 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2062-84-2 16363 170466409 B Benperidol Fc1ccc(cc1)C(=O)CCCN2CCC(CC2)N3c4ccccc4NC3=O Tox21_110517_1 -NCGC00254930-01 196698701 tox21-ror-cho-viability-p1 set1 4 -0.1323787 1.00113487 0.46833901 -0.05163984 -2.65386026 0.37546113 -1.35021113 0.09645308 -2.76522378 0.0594012 1.14788465 1.61969617 0.69079702 0.59038814 -0.47821882 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 138261-41-3 86418 144211345 A A Imidacloprid [O-][N+](=O)/N=C2\NCCN2Cc1cnc(Cl)cc1 Tox21_301028 -NCGC00163319-03 196722404 tox21-ror-cho-viability-p1 set3 4 37.5780357627 23.781350224 2.218649776 26 4.9549173134 0.4949626581 0.1829012459 9.84773391 8.60036945 1.3290018 -5.23445852 0.64069299 9.9796868 -3.93204723 3.30409764 -0.12046112 3.95137974 -4.82208171 5.2913776 -0.74675277 2.12649833 21.04212487 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61-19-8 6083 170466132 A Adenosine-5-phosphate O=P(O)(O)OC[C@H]3O[C@@H](n2cnc1c(N)ncnc12)[C@H](O)[C@@H]3O Tox21_112046_1 -NCGC00259404-01 196721980 tox21-ror-cho-viability-p1 set3 4 1.65113028 11.54340032 11.73951975 -0.7288918 14.01772568 13.28684182 9.96216497 11.72571529 12.74439457 7.53238164 9.95773036 12.83073467 8.21003356 5.58082603 3.89735475 1.164E-9 2.602E-9 5.819E-9 1.301E-8 2.91E-8 6.506E-8 1.4549999999E-7 3.253E-7 7.274E-7 0.0000016269999999 0.0000036369999999 0.0000081329999999 0.00001819 0.000040659999999 0.00009093 606-20-2 11813 144209053 A A 2,6-Dinitrotoluene Cc1c(cccc1[N+](=O)[O-])[N+]([O-])=O Tox21_201855 -NCGC00259172-01 196721996 tox21-ror-cho-viability-p1 set3 4 -6.1658724 5.76938612 -0.9567156 6.79472258 0.33987044 -2.94815405 2.36913107 1.86880992 -2.91205322 -5.28409636 -3.50462845 2.88747217 -3.49612825 -1.32874753 0.52944979 1.1999999999E-9 2.684E-9 6.001E-9 1.3419999999E-8 3E-8 6.7089999999E-8 1.5E-7 3.3539999999E-7 7.5009999999E-7 0.000001677 0.0000037499999999 0.0000083859999999 0.00001875 0.00004193 0.00009376 620-17-7 12101 144208821 A A 3-Ethylphenol CCc1cc(O)ccc1 Tox21_201623 -NCGC00015823-17 196722381 tox21-ror-cho-viability-p1 set3 4 0.2984929481 38.3187512559 -14.3187512559 24 0.3 0.6073144136 0.1052039007 -13.59895938 0.6154649 -7.63222404 -9.38676078 -10.10033864 7.60798584 0 6.98118775 -3.31447503 19.14971316 -1.71879161 16.73582108 13.36208539 17.30834219 -0.48684556 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 36322-90-4 54676228 170464817 A Piroxicam OC=2c1ccccc1S(=O)(=O)N(C)C=2C(=O)Nc3ccccn3 Tox21_110231_1 -NCGC00021925-03 196722815 tox21-ror-cho-viability-p1 set3 4 0.1496008549 16.735765992 -6.235765992 10.5 0.3 0.7641122137 0.0157067929 -5.19647166 -3.92379905 0 0 0 0 0 0 4.39292819 5.36906798 7.74914639 5.26621858 2.25913675 5.51522364 11.68602248 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52-21-1 5834 170464632 A Prednisolone acetate CC(=O)OCC(=O)[C@@]4(O)CC[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_111328_1 -NCGC00091643-08 196722816 tox21-ror-cho-viability-p1 set3 4 3.8570778872 -23.2118791079 2.5 -20.7118791079 0.8999999999 0.8384827421 0.0047391505 -0.06011442 0.80590321 0.26180452 6.84943738 -1.01030309 5.07540832 3.94076614 4.0602887 -8.570321 -5.56474431 -5.19111574 -12.93496169 -18.09323259 -17.37343411 -7.36909032 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00164597-02 196723212 tox21-ror-cho-viability-p1 set3 4 0.4730794415 -8.6294077079 -0.5 -9.1294077079 2.4063783767 0.7874661941 0.0141198341 -1.307635 -1.68095034 0.60732706 -1.49370239 0.64222205 1.16482422 -1.53584194 -0.80793148 -0.70105899 -12.19117309 -7.32362263 -6.75925741 -11.8663289 -7.62633166 6.93988244 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98717-15-8 175804 170465120 A Ropivacaine hydrochloride Cl.CCCN2CCCC[C@H]2C(=O)Nc1c(C)cccc1C Tox21_112221_1 -NCGC00016059-13 196723214 tox21-ror-cho-viability-p1 set3 4 0.4730794415 12.7504370999 -5.2504370999 7.5 3.5117481694 0.4747633769 0.2179004131 3.21518333 -1.30564727 1.48342739 -6.7910373 -12.17826618 -0.62195488 -21.87536425 -2.00013724 -3.30051565 8.81622539 10.71481166 5.8411652 5.6303143 5.86063405 -9.63632065 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-52-2 5452 170465080 C Thioridazine CN4CCCCC4CCN1c3ccccc3Sc2ccc(SC)cc12 Tox21_110294_1 -NCGC00259132-01 196721034 tox21-ror-cho-viability-p1 set3 4 29.8295684646 13.799272956 -6.799272956 7 4.9549173134 0.6673018009 0.0544929093 -10.24939413 -3.81185038 -2.05538844 0.51469706 -7.61900134 -7.9385962 -6.10486694 -6.75978728 -9.42659465 -8.36396717 -8.33716466 -8.96718953 -9.62791812 6.75929603 5.46226336 1.154E-9 2.5809999999E-9 5.772E-9 1.291E-8 2.886E-8 6.454E-8 1.443E-7 3.227E-7 7.215E-7 0.0000016129999999 0.000003608 0.000008067 0.000018039999999 0.00004034 0.000090189999999 112-07-2 8160 144208781 A A 2-Butoxyethyl acetate O=C(C)OCCOCCCC Tox21_201583 -NCGC00259469-01 196721810 tox21-ror-cho-viability-p1 set3 4 19.4491948283 9.9252761279 -11.4252761279 -1.5 4.9549173134 0.546614062 0.138986239 -10.95891441 -12.37728177 -11.12463762 -6.63149239 -8.32822684 -17.02106344 -14.120329 -8.84251724 -9.47011746 -7.34252734 -15.34372079 -12.78529461 -7.95425374 1.03239378 -4.17208141 1.1859999999E-9 2.653E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001854 0.00004145 0.00009268 95-93-2 7269 144209118 AC Ac 1,2,4,5-Tetramethylbenzene Cc1cc(C)c(C)cc1C Tox21_201920 -NCGC00259007-01 196721812 tox21-ror-cho-viability-p1 set3 -3 69.5673070586 -85.40348803 -3.424845518 -88.828333548 4.9549173134 0.9873947435 3.2E-9 -6.06940158 -5.98269357 -4.96111283 1.36882538 -1.3032087 -3.53898779 -5.4765547 -3.81215778 -2.90463797 -2.98198816 -4.38919199 -5.15359204 -3.36949041 -7.59460931 -72.8796298 1.194E-9 2.6689999999E-9 5.968E-9 1.3339999999E-8 2.9839999999E-8 6.672E-8 1.4919999999E-7 3.3359999999E-7 7.4599999999E-7 0.000001668 0.00000373 0.00000834 0.00001865 0.0000417 0.00009324 3147-75-9 62485 144208654 A Z Octrizole CC(C)(C)CC(C)(C)c1cc(c(O)cc1)n2nc3ccccc3n2 Tox21_201456 -NCGC00090776-02 196721813 tox21-ror-cho-viability-p1 set3 4 30.077889099 12.88251002 -3.88251002 9 4.9549173134 0.5386514806 0.145189339 -5.33716143 -1.84958073 -0.17016843 6.97258619 -6.70815801 -7.11355194 -3.7691065 -6.03624547 -9.06875835 -4.69082908 -3.20418403 -3.86545155 -5.86879222 8.42532698 7.57340091 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00254905-01 196720213 tox21-ror-cho-viability-p1 set3 4 0.0013685429 11.4183111679 -12.9183111679 -1.5 0.7999999999 0.3659351219 0.3075793175 -7.81044007 -9.09859264 -0.26958263 1.44422115 -6.34299798 -3.12750764 1.06302005 -4.48660516 -2.71917446 -2.53001288 -2.83255439 1.52958124 -0.94621638 0.28337321 -1.14423867 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23103-98-2 31645 144211320 A A Pirimicarb Cc1nc(nc(OC(=O)N(C)C)c1C)N(C)C Tox21_301003 -NCGC00254835-01 196720219 tox21-ror-cho-viability-p1 set3 4 -2.56621459 -8.42629988 -2.83526951 -6.17071037 -5.09827813 -6.87821467 -0.83005325 2.93075193 -3.56474212 -4.10528552 -1.42631354 -1.72384854 -0.43809585 -5.25105626 1.91145463 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-46-9 7504 144211250 D Benzylamine NCc1ccccc1 Tox21_300933 -NCGC00254638-01 196720617 tox21-ror-cho-viability-p1 set3 4 0.0076958822 16.37486072 -19.130373448 -2.755512728 0.5 0.48781259 0.1901451649 -12.11265479 -17.60864454 -9.59917724 -7.30402541 -11.15254781 -9.96725842 -3.70445007 -2.88399354 -0.62959394 -7.09930303 -2.898992 -0.88473436 -6.70744424 -4.30536481 -10.16368097 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 330-55-2 9502 144211049 A A Linuron Clc1ccc(NC(=O)N(C)OC)cc1Cl Tox21_300732 -NCGC00258796-01 196721036 tox21-ror-cho-viability-p1 set3 4 27.5561300424 10.386710568 -3.386710568 7 4.9549173134 0.6276538 0.0785781423 -2.24091226 -3.24444534 -6.34882393 1.16415608 -3.37251453 -8.65559214 -5.1324152 -3.10269823 -2.40760905 -0.62681321 -3.46661544 0.8932676 -3.94771144 7.83901979 5.76999992 1.189E-9 2.6589999999E-9 5.945E-9 1.3289999999E-8 2.9719999999E-8 6.646E-8 1.486E-7 3.323E-7 7.4309999999E-7 0.000001662 0.0000037149999999 0.0000083079999999 0.000018579999999 0.00004154 0.000092879999999 5902-51-2 22188 144208442 A A Terbacil O=C1NC(C)=C(Cl)C(=O)N1C(C)(C)C Tox21_201244 -NCGC00258850-01 196721042 tox21-ror-cho-viability-p1 set3 4 -11.34837011 -7.28518455 -13.94953869 5.10049939 -10.64024379 -10.30698464 -8.19842473 -12.5513021 -12.65052824 -12.69443151 -2.41173685 -15.70028062 -11.39853965 -2.63447623 -1.07601426 1.21E-9 2.707E-9 6.052E-9 1.353E-8 3.0259999999E-8 6.767E-8 1.5129999999E-7 3.3829999999E-7 7.5649999999E-7 0.0000016919999999 0.0000037829999999 0.000008458 0.00001891 0.000042289999999 0.000094569999999 1918-02-1 15965 144208496 A A Picloram Nc1c(Cl)c(nc(Cl)c1Cl)C(=O)O Tox21_201298 -NCGC00258957-01 196721445 tox21-ror-cho-viability-p1 set3 4 -3.43300806 -3.88429934 -2.2675379 1.42606762 -3.11265025 -6.23320857 -5.97019002 -5.24469935 -7.49551084 -1.83816432 -2.52874491 -5.67908933 -3.20382631 -2.16986132 -2.38726278 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.303E-7 7.387E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 149-57-5 8697 144208604 A A 2-Ethylhexanoic acid CCCCC(CC)C(=O)O Tox21_201406 -NCGC00259032-01 196721838 tox21-ror-cho-viability-p1 set3 4 -12.94575318 -4.77651414 -2.67362953 0.38827875 -5.28920449 -3.27770675 -3.45642107 -2.58574258 -4.49712921 -2.19620245 -3.85584725 -5.50352718 -4.72548963 1.71990315 0.27167659 1.229E-9 2.749E-9 6.146E-9 1.374E-8 3.073E-8 6.872E-8 1.537E-7 3.436E-7 7.6829999999E-7 0.000001718 0.000003841 0.000008589 0.00001921 0.00004295 0.00009603 108-93-0 7966 144208679 A Cyclohexanol OC1CCCCC1 Tox21_201481 -NCGC00259956-01 196721846 tox21-ror-cho-viability-p1 set3 -2.2 68.0319836447 -42.1567248295 -4 -46.1567248295 0.9999999999 0.807783451 0.0067343331 -7.85032412 -6.24296691 -5.56010547 1.2459009 -4.04887753 -6.23402875 -6.51592592 -5.13259246 -6.26462426 -3.50178189 -5.89556509 -7.45543071 -15.84268636 -12.03064295 -34.96721578 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.551E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.000003662 0.0000081889999999 0.00001831 0.00004095 0.00009156 56-53-1 448537 144209605 A A Diethylstilbestrol Oc1ccc(cc1)C(\CC)=C(/CC)c2ccc(O)cc2 Tox21_202407 -NCGC00091632-02 196724894 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -14.533350672 2 -12.533350672 4.5044702849 0.3425194964 0.3276836108 -3.60118028 -0.81718805 2.73257532 0.90136332 7.58684876 5.38812998 8.42392249 0.19660672 9.87450904 -5.39635274 1.25379951 1.3997961 0.16963827 0.76362731 -9.61112556 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00260086-01 196724467 tox21-ror-cho-viability-p1 set3 4 -1.93563464 4.91844159 -0.38176377 -2.0885104 6.53716919 -2.881368 5.90585389 -1.22599368 4.21394948 2.92357934 3.62566139 -4.99284169 -0.76237233 -4.11909224 10.842019 6.1E-10 1.3639999999E-9 3.05E-9 6.8199999999E-9 1.5249999999E-8 3.4099999999E-8 7.625E-8 1.705E-7 3.8119999999E-7 8.525E-7 0.0000019059999999 0.0000042619999999 0.000009531 0.000021309999999 0.00004765 7681-38-1 516919 144209735 Sodium hydrogen sulfate [Na+].[O-]S(=O)(=O)O Tox21_202537 -NCGC00356976-01 196724881 tox21-ror-cho-viability-p1 set3 -1.1 8.6349217992 -73.342410715 -3.21914268 -76.561553395 1.9673362061 0.9608133182 0.0000021832 -5.86714327 -3.71684208 2.16724841 -3.24060317 -9.60905883 -4.89751734 4.33041505 -4.34155485 1.85886398 -9.15246836 -22.21766805 -27.50715305 -72.30269142 -72.51476092 -72.86101175 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3006-93-7 18156 251919791 Ac N,N'-1,3-Phenylenedimaleimide O=C3C=CC(=O)N3c1cccc(c1)N2C(=O)C=CC2=O Tox21_303753 -NCGC00260444-01 196724885 tox21-ror-cho-viability-p1 set3 4 -3.34303149 1.26346791 1.74955839 -7.45510262 -5.80773633 -5.50031833 -6.82154679 -2.49188847 -2.73572097 -4.55081117 -1.7209119 -3.6883788 -4.64230953 -3.54004087 -2.5103126 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.613E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.00001848 0.00004133 0.00009242 463-04-7 10026 144210096 F Pentyl nitrite CCCCCON=O Tox21_202898 -NCGC00015095-15 196725297 tox21-ror-cho-viability-p1 set3 4 0.026603212 6.4411177359 -0.9411177359 5.5 4.9549173134 0.5124941398 0.168367152 2.74453575 -1.29917506 -2.02614519 -2.00029602 -2.03426478 3.8033828 5.38050998 6.93777832 2.13724306 6.5653243 4.42384769 0.68934013 1.71823783 9.95036684 11.33871458 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 549-18-8 11065 170464758 A Amitriptyline hydrochloride Cl.CN(C)CC\C=C1\c3ccccc3CCc2ccccc12 Tox21_113122_1 -NCGC00015856-10 196725722 tox21-ror-cho-viability-p1 set3 2.2 7.4978038628 55.4191765225 2.076655875 57.4958323975 1.8851180601 0.9615526341 0.0000054227 0.57310827 5.94317985 -1.97124531 1.27586947 0.67898799 2.90220286 1.90188792 0.66195907 7.51910872 3.96230706 5.98057071 10.40934456 39.35524824 48.60725222 22.36095578 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84-02-6 5281032 170464761 A Prochlorperazine dimaleate O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O.CN1CCN(CC1)CCCN2c4ccccc4Sc3ccc(Cl)cc23 Tox21_113522_1 -NCGC00253606-01 196725728 tox21-ror-cho-viability-p1 set3 4 2.03937356 1.86893154 -0.90648851 3.78182994 1.27591482 6.95428051 5.90043007 4.1898197 7.07876051 9.63067122 6.65597803 -4.06527501 9.68042628 6.45026794 8.64112393 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 31868-18-5 4177 170465840 I F Mexazolam Clc1ccccc1C34OCC(C)N4CC(=O)Nc2ccc(Cl)cc23 Tox21_113740 -NCGC00016278-10 196725731 tox21-ror-cho-viability-p1 set3 4 -0.60946425 2.95226502 4.78841651 8.24187336 -6.8978078 2.62403961 10.14703409 -1.8657058 -0.73517925 -2.20532123 5.52043668 2.43212881 3.51300731 -5.99376259 -6.79955524 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61-68-7 4044 170464813 A Mefenamic acid O=C(O)c2ccccc2Nc1cccc(C)c1C Tox21_110344_1 -NCGC00163930-04 196726134 tox21-ror-cho-viability-p1 set3 4 0.39255028 1.45164741 2.7784786 9.53886192 3.09095708 0.14964617 20.69435472 0 14.53884422 6.77049969 -0.40927342 -0.45574912 3.71015239 0.47327181 3.45380299 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00253681-01 196726139 tox21-ror-cho-viability-p1 set3 4 0.0011883218 -12.050031932 8 -4.050031932 0.5999999999 0.5288483348 0.1714178007 5.71087526 -2.25891424 1.65967543 -1.32493294 0.64402113 -1.3469334 -3.90379034 -3.25590013 -8.37502661 -6.60848957 -3.80284778 -1.33990364 -4.07133522 -2.02110789 0.49657622 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33924-48-0 118574 170466718 Ac A Methyl 5-chloro-o-anisate COc1ccc(Cl)cc1C(=O)OC Tox21_113805 -NCGC00163111-02 196726147 tox21-ror-cho-viability-p1 set3 4 -2.25427473 2.23098343 -3.19305971 10.13249562 14.18704963 0 10.71753456 17.79071328 9.58328355 9.32295604 12.96162657 3.52271484 -2.95658108 7.64692622 7.50398485 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 300-39-0 9305 170466794 A 3,5-Diiodo-L-tyrosine Ic1cc(C[C@H](N)C(=O)O)cc(I)c1O Tox21_113061_1 -NCGC00257972-01 196729555 tox21-ror-cho-viability-p1 set3 4 -0.44054916 -0.24268184 -3.29301697 0.3062973 0.93928509 0.43630734 -0.04338947 0.72414282 0.13722196 -1.17402586 0.51571797 0.99378082 1.49811389 1.62735481 0.49384906 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004107 0.00009184 111-92-2 8148 144207616 FC N-Butyl-1-butanamine CCCCNCCCC Tox21_200418 -NCGC00255173-01 196729130 tox21-ror-cho-viability-p1 set3 4 0 -1.02683871 -3.18286334 -0.97795812 -1.78061751 -1.33764429 -1.41152456 -3.3164749 0.04112487 -1.7319626 -1.69320669 4.33055666 -10.06267711 3.92830684 -6.35089598 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 470-90-6 10107 144211890 A A Chlorfenvinphos Clc1cc(Cl)ccc1C(OP(=O)(OCC)OCC)=CCl Tox21_301573 -NCGC00018242-07 196713775 tox21-ror-cho-viability-p1 set2 4 13.3331902297 -22.6711734879 1.5 -21.1711734879 1.17051 0.7898629521 0.0097953695 4.19026419 1.47843573 -0.12170314 0.99469835 1.79671209 -0.52503955 2.68016982 0.46900358 -0.6384773 1.84563951 0.11804174 0.59094028 -14.24543541 -6.38377313 -19.30931124 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 144-80-9 5320 170464944 A Sulfacetamide Nc1ccc(cc1)S(=O)(=O)NC(C)=O Tox21_110846_1 -NCGC00164502-02 196713770 tox21-ror-cho-viability-p1 set2 2.4 23.7101376556 29.5 2 31.5 2.4063783767 0.9520194774 0.0000067519 2.7127479 3.9722771 4.60801058 2.25861782 0.36576502 0.1748421 3.59172142 0.58738058 2.96867398 0.28156962 2.66932793 3.20522468 2.62310356 15.08334206 26.10331983 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3270-71-1 18637 170466562 D Nifuraldezone O=[N+]([O-])c1ccc(/C=N/NC(=O)C(N)=O)o1 Tox21_112140_1 -NCGC00015680-18 196713771 tox21-ror-cho-viability-p1 set2 4 21.1316824289 14.741240328 -6.741240328 8 0.4 0.6863656437 0.0451789696 -6.28912299 -8.53436694 -4.76022809 -8.00689115 -5.12078133 -5.20822079 -6.24170561 -6.37881215 -4.34872115 -1.66694837 -0.01919 -3.29155281 -1.82325307 -2.87287627 5.33290634 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 73-31-4 896 170465589 A Melatonin CC(=O)NCCc2cnc1ccc(cc12)OC Tox21_110195_1 -NCGC00254621-01 196714171 tox21-ror-cho-viability-p1 set2 4 -12.34165753 -14.11062672 -8.62246524 -13.82264212 -11.86817674 -3.24388583 -11.64391755 -11.70328341 -12.33421024 -12.9560562 -11.56636445 -15.27640127 -14.75236196 -18.88723405 -1.77845929 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 2164-17-2 16562 144211032 A A Fluometuron O=C(Nc1cc(ccc1)C(F)(F)F)N(C)C Tox21_300715 -NCGC00254369-01 196714184 tox21-ror-cho-viability-p1 set2 4 2.96010972 0.06028496 5.6349513 1.21171442 0.80928702 1.0377496 3.5966568 1.01618625 -0.26622747 1.07012976 -0.04575497 5.60081948 6.14050517 0.63899834 2.0756536 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 621-64-7 12130 144210706 A Ac N-Nitrosodipropylamine CCCN(CCC)N=O Tox21_300388 -NCGC00254260-01 196714589 tox21-ror-cho-viability-p1 set2 4 -1.04305121 -6.29977021 -1.1989172 -1.23910813 -0.60829792 -3.05349862 -7.33607505 -1.06254085 1.49463316 -2.94713218 -3.20358051 -5.56189849 -3.83909323 0.80305996 2.0458154 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-45-2 7935 144210808 A A 1,3-Benzenediamine Nc1cccc(N)c1 Tox21_300490 -NCGC00254264-01 196714595 tox21-ror-cho-viability-p1 set2 -3 0.216899429 -38.206900052 -0.5 -38.706900052 4.0949729863 0.9829816999 0.0003829259 0.88971991 -1.56857742 1.21365236 1.04668536 -1.43547664 -3.2617218 -7.22763745 -32.67241671 -0.55087794 -11.63157043 -4.9159784 -8.9944829 -3.40417114 -3.23082162 -3.86219399 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 147-24-0 8980 144210928 A A Diphenhydramine hydrochloride Cl.CN(C)CCOC(c1ccccc1)c2ccccc2 Tox21_300611 -NCGC00254034-01 196714601 tox21-ror-cho-viability-p1 set2 4 -1.21567449 -2.81969496 -1.53489519 -0.33180957 -0.41649696 -0.04669722 -2.3174441 -1.07934393 -3.78042486 -0.63183898 2.03324669 -4.51246526 -7.18802151 -2.43422484 2.37293705 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-78-2 2244 144210466 A Fc Aspirin O=C(C)Oc1ccccc1C(=O)O Tox21_300146 -NCGC00091086-02 196714603 tox21-ror-cho-viability-p1 set2 4 0.71473847 -0.96989593 -1.0478348 -1.08461835 0.25142867 1.30768709 1.48638155 1.10812945 2.19045154 2.15005355 1.50416981 0.96151975 7.5836375 3.63165781 1.92147966 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00254040-01 196714604 tox21-ror-cho-viability-p1 set2 4 -0.41600975 -0.42173839 2.59844119 -0.67470461 1.24999542 3.50866066 1.14560445 1.24792262 -0.78621588 3.17877182 -0.33735248 0.3550204 0.07057136 -0.5638725 -0.41704989 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58-55-9 2153 144210348 A A Theophylline O=C2c1ncnc1N(C)C(=O)N2C Tox21_300028 -NCGC00091088-05 196724301 tox21-ror-cho-viability-p1 set3 4 -4.91481359 0.22837318 2.15179558 -3.9280477 -7.08878414 -7.16619733 3.24519982 -0.68542093 2.26397414 0.01445226 5.24504076 -4.43317881 1.55001557 -1.71375413 5.38880423 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00260538-01 196724287 tox21-ror-cho-viability-p1 set3 2.3 48.1136466187 77.9176372523 -7.6517703997 70.2658668526 3.9899729863 0.6356675655 0.07256829 -6.78223076 -4.07634298 -2.43465909 -3.34925209 3.16803192 3.40287737 -7.82206115 0.29439888 3.69237936 2.5540771 -13.22817016 -20.04635763 -53.12197499 21.0456043 64.97191888 1.171E-9 2.618E-9 5.8529999999E-9 1.3089999999E-8 2.927E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.317E-7 0.0000016359999999 0.000003658 0.0000081809999999 0.00001829 0.0000409 0.00009146 17831-71-9 28803 144210191 A Ac Tetraethylene glycol diacrylate O=C(OCCOCCOCCOCCOC(=O)C=C)C=C Tox21_202993 -NCGC00254048-01 196699536 tox21-ror-cho-viability-p1 set1 4 30.6378586933 -13.020467376 0 -13.020467376 1.2221 0.6447406161 0.06789476 -4.55788088 -0.32033481 2.6293407 1.25374164 -0.95524701 0.33360178 0.10441359 -0.73386761 1.05785063 0.80992908 -0.33739053 -7.25424638 0.00392183 -8.81074741 -10.85038948 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 127-51-5 5372174 144210472 B Ac alpha-Isomethylionone CC1(C)CCC=C(C)C1\C=C(/C)C(C)=O Tox21_300152 -NCGC00254097-01 196699542 tox21-ror-cho-viability-p1 set1 4 2.57312313 2.59974497 3.89573773 -2.1307623 -2.095849 3.28254611 2.56207303 1.27195973 -1.10152411 0.16708356 -1.98061357 -2.22057287 4.98657961 1.17187048 2.88073803 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-27-6 8172 144210626 A Ac Triethylene glycol OCCOCCOCCO Tox21_300306 -NCGC00254675-01 196699544 tox21-ror-cho-viability-p1 set1 -1.2 1.9331181962 -42.5675419533 1.9921716484 -40.5753703049 2.1210667061 0.9698382624 5.004E-7 1.34552429 2.97903152 0.62134203 1.90494749 0.08345359 1.12414765 4.49443928 0.71222593 -0.43279462 -19.17429977 -28.63639116 -39.03990706 -45.66212775 -44.8349915 -32.31988857 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10325-94-7 11402127 144211088 Cadmium dinitrate [O-][N+](=O)O[Cd]O[N+]([O-])=O Tox21_300771 -NCGC00254063-01 196699548 tox21-ror-cho-viability-p1 set1 4 4.6395643 0.40202642 2.46259248 2.20669248 4.98778536 5.62698299 5.97628462 0.69506108 4.70984608 1.60052158 -0.02654152 -0.81917039 2.35418195 3.433432 -0.4182163 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-54-8 54675776 144210470 F F Tetracycline NC(=O)C1=C(O)[C@@H](N(C)C)[C@@H]2C[C@H]4C(=C(O)[C@]2(O)C1=O)C(=O)c3c(O)cccc3[C@@]4(C)O Tox21_300150 -NCGC00254852-01 196699946 tox21-ror-cho-viability-p1 set1 4 -2.39025682 0.0470043 4.04303206 -0.99206259 -0.34323495 0.26780429 0.46419817 0.00422699 -1.16293505 3.29749894 0.03474214 -0.02148301 3.31984001 0.78200254 -2.12447882 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 373-49-9 445638 144211267 A A (Z)-Hexadec-9-enoic acid O=C(O)CCCCCCC/C=C\CCCCCC Tox21_300950 -NCGC00254329-01 196699948 tox21-ror-cho-viability-p1 set1 4 -2.33443453 0.90573392 -3.98869186 2.15472845 -2.99810159 -2.83546521 0.37535245 -8.79243419 -3.46926774 -0.07214241 -4.65581195 -3.34153534 -0.07041531 -4.54575635 0.85966915 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7378-99-6 16224 144210667 FNS N,N-Dimethyloctylamine CN(C)CCCCCCCC Tox21_300349 -NCGC00257529-01 196699949 tox21-ror-cho-viability-p1 set1 -3 27.3060203028 -70.7568900213 -3.347838236 -74.1047282573 4.9549173134 0.9422297107 0.0000422372 -5.28267584 -6.20927009 0.23472971 -3.14858264 0.82205494 -0.02324307 -3.92972694 -5.7834843 0.82668799 0.29763016 -4.76867665 -14.57034155 -9.13838291 -72.65169437 -41.21531552 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-77-3 8010 144211513 A Ac Propanedinitrile N#CCC#N Tox21_301196 -NCGC00167491-04 196697895 tox21-ror-cho-viability-p1 set1 4 0.75161661 -2.19255995 -1.19065682 -2.60026275 -1.42013258 -1.4356056 -3.89053646 -4.22411075 -2.16265549 -1.3022056 -1.55885736 -4.65432237 -2.02286381 -4.7420982 -0.74392075 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 191732-72-6 216326 170465201 A Lenalidomide O=C1NC(=O)CCC1N3Cc2c(cccc2N)C3=O Tox21_112492_1 -NCGC00094937-04 196723640 tox21-ror-cho-viability-p1 set3 4 2.74637803 -3.6045747 3.22462153 0.56244189 0 -29.71467446 0 -6.53121523 6.51395234 1.85239329 7.0119913 2.39926986 -0.31588093 -0.62448193 10.14017364 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53716-49-7 2581 170464799 A Carprofen O=C(O)C(C)c1ccc2c3cc(Cl)ccc3nc2c1 Tox21_111363_1 -NCGC00163815-04 196724062 tox21-ror-cho-viability-p1 set3 -2.1 65.1933385464 -94.5534987802 1.565782233 -92.9877165472 3.2974983358 0.9601762101 0.00000239 -7.09008994 3.89982691 6.24542271 -1.9722406 3.59040027 0.52738228 3.85278732 2.88604435 3.60545047 5.06481437 3.87631826 -1.00219055 -8.11908013 -16.80302528 -73.09675496 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00159559-03 196697893 tox21-ror-cho-viability-p1 set1 4 3.06427414 -0.41597916 -10.25582248 0.00121322 0.79610993 0.55607035 -1.38003886 3.61524485 -0.98955008 2.65231947 2.81829882 2.3399465 -1.30839817 0.9743461 0.81994298 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 107724-20-9 443872 170465283 A Eplerenone O=C(OC)[C@@H]4CC1=CC(=O)CC[C@]1(C)[C@@]65O[C@@H]6C[C@@]3(C)[C@@H](CC[C@]23CCC(=O)O2)[C@H]45 Tox21_111746_1 -NCGC00253673-01 196697896 tox21-ror-cho-viability-p1 set1 4 1.50160317 6.36401631 0.1733778 1.22107254 5.25628356 4.40046529 -0.3630827 -0.03823866 2.13106596 -0.89634496 2.73074329 3.08040347 -0.38492939 -0.3361057 -0.93704398 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1660-95-3 74266 170466767 Fc A Tetraisopropyl methylenediphosphonate O=P(CP(=O)(OC(C)C)OC(C)C)(OC(C)C)OC(C)C Tox21_113797 -NCGC00090905-12 196697911 tox21-ror-cho-viability-p1 set1 4 2.51982031 7.30238927 3.79023296 1.88347009 -0.06495982 2.18295719 0.90067888 3.52759105 1.10727473 0.00011022 2.49183049 1.08729866 0.54208882 8.16276403 4.82468443 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55-98-1 2478 170465232 F Busulfan O=S(C)(=O)OCCCCOS(C)(=O)=O Tox21_111038_1 -NCGC00181130-02 196723457 tox21-ror-cho-viability-p1 set3 4 33.4914596268 14.690892152 0.309107848 15 4.9549173134 0.6328293659 0.0754825929 -0.47015071 0.22776726 -0.8384794 5.09438714 -1.46775819 0.68020344 0.72375195 -0.63264045 -0.60108855 1.82202742 -4.32574346 3.82449576 3.29236925 1.40396178 12.34448753 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 143322-58-1 77993 170465317 A Eletriptan CN4CCC[C@@H]4Cc2cnc3ccc(CCS(=O)(=O)c1ccccc1)cc23 Tox21_112737_1 -NCGC00016423-15 196723054 tox21-ror-cho-viability-p1 set3 -2.1 29.8492948118 -121.1599900079 5.3469846119 -115.813005396 2.3031167061 0.9445801259 0.0000147121 19.34049543 11.50863044 1.56470622 1.58802529 11.37672005 -0.01663031 -0.29064588 -0.4715485 6.1577671 5.92970145 7.44339226 3.04070879 -11.00182725 -27.86486545 -87.59919681 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 303-45-7 3503 170466800 A (-)-Gossypol CC(C)c4c3cc(C)c(c1c(C)cc2c(c1O)c(C=O)c(O)c(O)c2C(C)C)c(O)c3c(C=O)c(O)c4O Tox21_110434_1 -NCGC00262959-01 196723450 tox21-ror-cho-viability-p1 set3 -2.2 2.3710137656 -51.384632156 16 -35.384632156 0.3 0.856798905 0.0018182323 12.86053613 12.8787955 10.17265316 7.91539537 13.17675685 -2.9427997 1.02187747 -2.2707062 -3.71059685 4.8292265 -13.19932471 -9.81676653 -14.09163319 -14.37862502 -26.15386013 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104653-34-1 91771 170465892 F F Difethialone Brc1ccc(cc1)c2ccc(cc2)C4Cc3ccccc3C(C4)C5=C(O)c6ccccc6SC5=O Tox21_113950 -NCGC00262913-01 196723452 tox21-ror-cho-viability-p1 set3 4 2.9849294812 -14.8469581559 2.5 -12.3469581559 4.9549173134 0.6668481029 0.0545109526 3.26334066 3.56466293 2.62427292 4.91094467 -0.14991881 -1.19954321 1.3227964 -1.51906663 2.18333846 5.66580377 6.81573375 -14.41503109 -0.18556323 -15.70606679 -17.37246513 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 28315-93-7 119921 170466697 A A 5-Hydroxy-1-tetralone Oc2cccc1c2CCCC1=O Tox21_113911 -NCGC00016361-12 196722640 tox21-ror-cho-viability-p1 set3 1.4 0.2371013766 24.679938292 -13.679938292 11 2.4729283767 0.7783026562 0.0121170376 -10.99959729 -1.22229087 -11.00928203 -10.03800018 -20.17072196 -23.48328191 -23.48232687 0 0.64559712 11.13690402 13.32162552 11.19984482 15.20247927 11.39957913 4.59693345 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103-90-2 1983 170466797 A Acetaminophen Oc1ccc(NC(C)=O)cc1 Tox21_110397_1 -NCGC00259527-01 196722236 tox21-ror-cho-viability-p1 set3 1.4 0.0732186388 22.936889504 -13.936889504 9 0.3 0.8138265482 0.0059034544 -9.94740792 -6.85690407 -9.48203147 -2.75563495 -2.61514764 -2.47046674 -1.10586289 -0.48260197 0.07889626 5.11881658 0.84273786 8.0586223 -0.50685605 8.43428253 7.55770417 1.2459999999E-9 2.7859999999E-9 6.23E-9 1.393E-8 3.115E-8 6.966E-8 1.5579999999E-7 3.4829999999E-7 7.788E-7 0.000001741 0.000003894 0.000008707 0.000019469999999 0.00004354 0.00009735 3268-49-3 18635 144209176 A A 3-(Methylthio)propanal O=CCCSC Tox21_201978 -NCGC00259333-01 196722240 tox21-ror-cho-viability-p1 set3 4 -6.18348559 -7.39825412 -2.81969158 -9.28277754 -6.77951783 -8.69456866 -4.40372201 -7.3981369 -7.86429826 -4.84895105 -4.2501612 -19.86102368 -3.80110718 -7.86842864 -21.59340424 1.166E-9 2.6069999999E-9 5.83E-9 1.304E-8 2.9149999999E-8 6.518E-8 1.457E-7 3.259E-7 7.287E-7 0.0000016299999999 0.0000036439999999 0.0000081479999999 0.00001822 0.00004074 0.00009109 121-14-2 8461 144208982 A A 2,4-Dinitrotoluene Cc1ccc(cc1[N+](=O)[O-])[N+]([O-])=O Tox21_201784 -NCGC00259643-01 196722250 tox21-ror-cho-viability-p1 set3 4 -3.6757124 -3.39874669 -4.33934312 -1.15976083 0.14485764 -1.31397923 -4.17748789 -5.6030977 -3.29432259 -2.16417996 -4.71177054 -6.01281527 -5.8578846 -1.08737369 -2.10540151 1.2169999999E-9 2.7209999999E-9 6.0849999999E-9 1.361E-8 3.0429999999E-8 6.804E-8 1.521E-7 3.402E-7 7.607E-7 0.0000017009999999 0.000003803 0.0000085039999999 0.000019019999999 0.00004252 0.000095079999999 66-27-3 4156 144209292 D Methyl methanesulfonate CS(=O)(=O)OC Tox21_202094 -NCGC00159417-05 196722641 tox21-ror-cho-viability-p1 set3 4 0.0022475551 46.88590952 47.58938217 47.4012553 42.78485303 39.40011727 15.39524797 0.56847015 3.09164538 6.6289264 11.93000503 17.46189297 -0.27096323 -2.89465844 -7.07175662 -23.25198527 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3380-34-5 5564 170464936 Ac Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_111648_1 -NCGC00016258-06 196722645 tox21-ror-cho-viability-p1 set3 -2.1 26.6032120037 -125.2488217593 0 -125.2488217593 2.5334283767 0.9952432356 0 -1.71233033 -0.50737328 -0.18054318 2.2831626 2.15224145 -1.24310528 3.39801149 1.49514927 -2.17753879 1.69713552 -2.89484304 -3.52153529 -7.35318687 -42.97386289 -100.35963282 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-27-5 4055 170464997 F Menadione O=C2C=C(C)C(=O)c1ccccc12 Tox21_110334_1 -NCGC00164633-02 196722647 tox21-ror-cho-viability-p1 set3 4 18.8336317891 -18.986558328 -1 -19.986558328 0.5 0.732584567 0.0253734371 -1.73073471 -1.78448099 1.82618081 -2.47520744 -3.02489143 -3.63114301 1.37182134 -2.21962311 -4.21688291 -5.1768499 -5.88814702 -7.31992904 -9.89778964 -5.28226405 -15.82213194 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63675-72-9 4499 170465320 A Nisoldipine CC=1NC(C)=C(C(C=1C(=O)OCC(C)C)c2ccccc2[N+]([O-])=O)C(=O)OC Tox21_112251_1 -NCGC00255352-01 196728641 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -45.4774102718 1.1956953059 -44.2817149659 4.9549173134 0.7267621566 0.027161322 2.35791833 -2.68667006 1.70302558 8.51042061 -7.80728883 9.35813774 -7.09237367 4.82547909 -2.61658125 5.31549976 -0.43845839 -6.04808151 10.27158532 0.46495199 -35.81450856 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-18-8 7180 144212647 A A Benzylparaben Oc1ccc(cc1)C(=O)OCc2ccccc2 Tox21_302330 -NCGC00256150-01 196728652 tox21-ror-cho-viability-p1 set3 4 -0.8792875 -1.79495509 -0.21431017 -0.93990335 2.35794174 0.02268143 1.30219052 4.76281451 5.60040369 1.04308252 5.1258539 0.56759724 1.6163394 0.53244884 -0.80027367 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 37526-59-3 2777208 144212010 F A 2-(Trifluoromethoxy)benzenesulfonamide O=S(N)(=O)c1ccccc1OC(F)(F)F Tox21_301693 -NCGC00256265-01 196729048 tox21-ror-cho-viability-p1 set3 4 1.62113372 -2.7393851 -2.57328421 1.14748934 -2.24099778 9.69413029 -2.20651303 -2.85335 -0.34844565 -0.57085169 4.4996918 9.5387078 1.47527965 2.87469371 -4.65294817 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 41424-36-6 5067511 144211989 A A 1,3,5-Tribromo-2-methoxy-4-methylbenzene COc1c(Br)c(C)c(Br)cc1Br Tox21_301672 -NCGC00258700-01 196730390 tox21-ror-cho-viability-p1 set3 4 0.0857348939 9.923796864 -7.923796864 2 0.5 0.5687144977 0.1213532746 -4.95509098 -8.26983072 -5.77595242 -6.71514459 -1.4337447 -7.04833025 0.2749121 1.09515249 -3.88524033 4.74711272 -3.65998433 -0.28357893 2.56119409 0.51002591 4.03283911 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.0000036659999999 0.000008198 0.00001833 0.00004099 0.000091659999999 7177-48-2 23565 144208346 FC Ampicillin trihydrate O.O.O.OC(=O)[C@@H]2N3C(=O)[C@@H](NC(=O)[C@H](N)c1ccccc1)[C@H]3SC2(C)C Tox21_201148 -NCGC00181109-03 196725114 tox21-ror-cho-viability-p1 set3 4 -9.25012967 0 0.8865788 0.07521543 -7.6743753 2.45808412 2.54079632 2.794913 -3.53034924 -1.81674992 0.73352839 -7.2805752 2.11775796 0.01834191 3.5925328 5.899E-11 1.319E-10 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 18507-89-6 29112 170466244 F Decoquinate O=C(OCC)c1cnc2cc(OCC)c(cc2c1O)OCCCCCCCCCC Tox21_112723_1 -NCGC00182999-01 196725110 tox21-ror-cho-viability-p1 set3 4 -7.20180918 -10.86980851 -1.45439766 -0.71459887 -9.11356341 2.6591033 -9.24300047 1.18533999 -2.81460356 4.20867456 2.3994233 -7.11100693 1.71249155 -6.11814519 -7.87310044 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 99665-00-6 20056549 144206879 A B Flomoxef O=C2N1C(=C(CO[C@H]1[C@@]2(OC)NC(=O)CSC(F)F)CSc3nnnn3CCO)C(=O)O Tox21_113328 -NCGC00016789-06 196725111 tox21-ror-cho-viability-p1 set3 2.2 11.8832183006 34.414897452 2.35075412 36.765651572 3.0654483358 0.8365792906 0.0049665148 8.10627135 -1.41360849 6.15846275 0.202402 -3.19915066 0.53453513 6.36331848 5.88565493 -3.4577049 3.35945417 -1.29717244 6.28079029 12.19700253 34.2448233 18.75208218 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25155-18-4 14842 170466819 C Methylbenzethonium chloride [Cl-].CC(C)(C)CC(C)(C)c2ccc(OCCOCC[N+](C)(C)Cc1ccccc1)cc2C Tox21_113530_1 -NCGC00262911-01 196725135 tox21-ror-cho-viability-p1 set3 4 0.99518187 0.36972673 3.47073614 0.50381677 9.57061766 4.58002376 10.52335474 0 3.33249616 18.97450193 2.72045717 6.21536164 4.46069459 2.86919243 5.05455482 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 979-02-2 92855 170466719 F A Dehydropregnenolone acetate CC(=O)C4=CC[C@@H]3[C@]4(C)CC[C@H]2[C@H]3CC=C1C[C@H](CC[C@@]12C)OC(C)=O Tox21_113909 -NCGC00163919-02 196725531 tox21-ror-cho-viability-p1 set3 -2.4 70.1970324498 -32.1286584279 3 -29.1286584279 4.5044702849 0.7991089147 0.0081188999 0.77721568 3.64820496 0.39436093 2.77776069 6.00401477 -2.07228294 6.84501167 8.14183453 7.75733012 4.78662051 3.21414752 1.8892457 -2.98074744 0.75946664 -22.19054869 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00182025-01 196725545 tox21-ror-cho-viability-p1 set3 4 6.50149234 3.2345938 -0.13361947 -1.84761577 0.07590628 -1.55350034 4.16806952 -0.11493133 0.05985656 1.14534248 0.03465235 -0.79534784 0.36596596 5.50915216 4.42203301 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 927-19-5 80278 144206504 Z Z Dipotassium glycerophosphate [K+].[K+].[O-]P([O-])(=O)OCC(O)CO Tox21_112951 -NCGC00183842-01 196725549 tox21-ror-cho-viability-p1 set3 4 1.33304277 4.73961885 0.56070741 -0.33824433 -0.66883185 -1.18001537 1.84298435 3.87370007 5.81886612 5.63813636 6.71081841 1.04317678 0.79991238 5.30681986 5.69156674 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 134865-33-1 3045414 144206838 A A Meluadrine O[C@@H](CNC(C)(C)C)c1ccc(O)cc1Cl Tox21_113287 -NCGC00090789-02 196730587 tox21-ror-cho-viability-p1 set3 4 1.5384498 -1.12096208 -9.27328746 0 -2.89106385 -14.67147795 0 -8.13370255 -11.82624363 0 0 0 -2.27739526 -4.38470061 -9.32187243 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00257525-01 196699567 tox21-ror-cho-viability-p1 set1 4 76.9588215421 14.2102098721 0.7897901279 15 4.9549173134 0.6410052532 0.0705220056 0.79873962 0.85940574 1.56641119 0.20259414 0.17299876 -1.84184156 -1.32588593 0.81074849 1.54119017 0.21727535 0.81958888 -1.1603639 7.30491797 0.1705116 11.62981099 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1071-93-8 66117 144211384 Z Z Hexanedihydrazide NNC(=O)CCCCC(=O)NN Tox21_301067 -NCGC00253923-01 196698744 tox21-ror-cho-viability-p1 set1 4 0.24600432 2.23326809 -4.46771252 -1.89138586 1.48422637 0.76154512 -0.03455059 0.53074062 0.96348975 -2.14073487 -2.84973421 -0.37210084 -2.71901448 0.19413282 0.64216936 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 150-13-0 978 144210407 A A 4-Aminobenzoic acid OC(=O)c1ccc(N)cc1 Tox21_300087 -NCGC00095042-06 196699151 tox21-ror-cho-viability-p1 set1 4 1.78358966 -2.53014492 0.7653723 1.35450177 4.28777663 3.72472621 2.771447 0.5392917 5.95532425 10.41496791 1.70621311 0.16888495 1.45958202 5.28085288 4.75622744 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00254580-01 196699557 tox21-ror-cho-viability-p1 set1 -1.1 15.3553036427 -95.1480357593 0.4946028079 -94.6534329514 3.0654483358 0.9962418234 0 0.6056657 1.38008973 0.95101739 0.07624722 -0.66889905 -1.22250271 1.28019188 -0.4874694 -0.03822004 1.7073911 -0.09977549 -10.32573445 -63.35027513 -93.34658082 -88.79670425 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 941-69-5 13662 144210989 A Fc 1-Phenyl-1H-pyrrole-2,5-dione O=C2C=CC(=O)N2c1ccccc1 Tox21_300672 -NCGC00254742-01 196699573 tox21-ror-cho-viability-p1 set1 -2.4 48.5577336745 -22.751226052 -0.5 -23.251226052 3.1319983358 0.874878372 0.0009710725 0.4574014 0.24070287 -0.28942906 0.4909588 -2.26732489 -5.32631611 -2.92033917 -1.71798147 2.49119272 -1.59738458 0.02977857 1.54777942 1.44460323 -9.84455387 -20.62602171 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-30-9 7430 144211155 A A Dicloran Clc1cc(cc(Cl)c1N)[N+]([O-])=O Tox21_300838 -NCGC00255032-01 196699989 tox21-ror-cho-viability-p1 set1 -2.4 34.3762428541 -27.603215892 0 -27.603215892 0.8999999999 0.9046690469 0.0002547969 0.29955156 -0.38116733 0.22478663 1.83918459 -2.10791246 0.50234767 0.06860173 -1.61892469 -0.3831932 0.15081566 -6.8334957 -6.47526242 -10.77633804 -10.40075336 -23.00267991 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148477-71-8 22833506 144211450 C F Spirodiclofen CC(C)(CC)C(=O)OC2=C(C(=O)OC12CCCCC1)c3cc(Cl)cc(Cl)c3 Tox21_301133 -NCGC00255867-01 196700390 tox21-ror-cho-viability-p1 set1 4 2.09189276 0.434406 3.174261 -1.00642844 4.78946977 -1.30146201 3.77303272 1.19038959 2.98416475 1.18935534 3.62061521 4.69365878 1.47460136 1.59731131 -2.01138863 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90717-03-6 91749 144212189 A A Quinmerac O=C(O)c1c(Cl)ccc2cc(C)cnc12 Tox21_301872 -NCGC00255610-01 196700405 tox21-ror-cho-viability-p1 set1 4 48.5577336745 8.447788088 0.052211912 8.5 2.3331733767 0.5380230641 0.1485850793 -0.37121998 0.1293492 0.58301952 -1.12976967 -0.61258219 -5.37315674 0.99643171 3.09325453 1.29529432 -0.07774218 -0.42813224 1.51984198 -0.75571767 3.97072091 6.91324504 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7579-36-4 82058 144211596 A A Dibenzyl oxalate O=C(OCc1ccccc1)C(=O)OCc2ccccc2 Tox21_301279 -NCGC00254325-01 196698756 tox21-ror-cho-viability-p1 set1 4 -0.65320974 0.1030952 -0.22948863 -0.47446654 1.91295027 -0.11161237 -35.56082843 1.88372445 -7.78360964 -1.40320892 -5.47902678 -5.46491749 -0.11574982 5.12578651 -1.12156716 1.115E-9 2.493E-9 5.574E-9 1.246E-8 2.7869999999E-8 6.2319999999E-8 1.394E-7 3.1159999999E-7 6.9679999999E-7 0.000001558 0.000003484 0.00000779 0.00001742 0.00003895 0.000087099999999 1934-21-0 5359657 144210871 A Ac FD&C Yellow 5 [Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)/N=N/C3=C(NN(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O Tox21_300554 -NCGC00015207-12 196698342 tox21-ror-cho-viability-p1 set1 4 -0.03187562 1.92140133 1.30859126 0.10616909 0.60908435 -4.48373217 -0.21227464 -0.25736248 0.05147088 0.287594 -1.75351742 -3.51308781 -2.28979249 -4.38403055 -5.87647837 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 73963-72-1 2754 170465347 A Cilostazol O=C1CCc2cc(ccc2N1)OCCCCc4nnnn4C3CCCCC3 Tox21_110098_1 -NCGC00090773-04 196698354 tox21-ror-cho-viability-p1 set1 4 -6.25120352 -2.12847159 -3.75935221 -5.48735997 -3.48790854 -4.66428989 -2.71043169 -0.66653082 -6.01381833 -2.31466411 -2.16987968 -4.37633485 -2.3129001 -4.16302529 -8.2100019 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00254688-01 196698753 tox21-ror-cho-viability-p1 set1 4 0.17623828 1.50431506 0.21048694 -0.97205626 1.68111275 0.30334019 -2.46121883 0.5549512 0.04522188 1.78547338 4.21225421 1.33828311 0.68198648 4.22328744 5.18494779 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66215-27-8 47866 144211101 A Cyromazine Nc2nc(N)nc(NC1CC1)n2 Tox21_300784 -NCGC00253939-01 196720851 tox21-ror-cho-viability-p1 set3 -2.4 27.3060203028 -22.352921188 -2 -24.352921188 1.4641 0.7270056005 0.0271573084 -5.10753919 -6.24186879 1.23707145 1.74706569 -1.15070927 1.3453916 -3.26755595 -5.75520351 2.83938392 -4.70730316 -5.56359512 -5.87757634 -4.76300677 -22.79410099 -18.33452443 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-76-3 7456 144210329 A A Methylparaben Oc1ccc(cc1)C(=O)OC Tox21_300009 -NCGC00254302-01 196720025 tox21-ror-cho-viability-p1 set3 -1.2 30.6378586933 -35.1556841174 -2.5 -37.6556841174 4.9549173134 0.928362972 0.0000580833 -7.40927042 -8.92832152 -0.88241928 1.39772752 -2.96573054 -1.13072791 -0.99311858 -5.69729102 -0.31471867 -0.73209234 -1.43300444 -1.8245287 -0.45361828 -35.68631532 -36.91733737 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 136-77-6 3610 144210675 Ac Ac 4-Hexylresorcinol Oc1cc(O)ccc1CCCCCC Tox21_300357 -NCGC00254007-01 196720455 tox21-ror-cho-viability-p1 set3 2.4 3.4376242854 26.5751790439 -14.5751790439 12 0.3 0.8970079182 0.0003756631 -14.22931587 -12.22237621 -10.92394103 -6.55487415 -9.95896789 -8.08145386 -9.87992967 -2.4235838 -3.84151123 -3.03412284 -4.41924955 -0.56455988 1.55556043 3.87530929 7.01857201 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 127-07-1 3657 144210638 A Hydroxyurea NC(=O)NO Tox21_300319 -NCGC00254742-01 196720854 tox21-ror-cho-viability-p1 set3 4 15.3553036427 -10.9316901199 1.5 -9.4316901199 1.6266150999 0.3122063125 0.3559575417 7.59596716 -2.20348821 -5.89445727 -2.76592213 -1.64267003 6.06106716 10.24716855 -2.22835763 -1.51840202 12.28331622 -4.43100012 -0.15340209 -6.32892913 -5.5951778 -9.9430751 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-30-9 7430 144211155 A A Dicloran Clc1cc(cc(Cl)c1N)[N+]([O-])=O Tox21_300838 -NCGC00254670-01 196720862 tox21-ror-cho-viability-p1 set3 4 3.4026950875 14.477050992 -0.477050992 14 1.4641 0.7535550875 0.0184759253 2.14906695 -9.56420916 -1.10235646 4.10564629 -0.8873135 1.92825516 0.84658369 -2.38338967 0.90091025 5.85494103 4.85952673 10.64557037 14.35646331 16.08704228 10.12551885 1.1699999999E-9 2.617E-9 5.851E-9 1.3079999999E-8 2.926E-8 6.542E-8 1.463E-7 3.271E-7 7.314E-7 0.0000016359999999 0.000003657 0.000008178 0.00001829 0.000040889999999 0.00009143 207386-92-3 2723649 144211083 A A 8-Hydroxyquinoline-5-sulfonic acid hydrate (1:x) O.O=S(=O)(O)c1ccc(O)c2ncccc12 Tox21_300766 -NCGC00254461-01 196720870 tox21-ror-cho-viability-p1 set3 4 8.71984903 0.40063234 -0.59869288 6.92739616 1.98741405 9.53170272 -4.87221487 7.38176574 8.54788949 -3.74918723 2.9502186 4.82031146 3.61127395 -0.95539614 0.88220069 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 349495-42-7 9857035 144210748 A A PharmaGSID_47263 Oc1ccc(cc1)C=2CNC(=O)c3c(N=2)c(C)nn3CC Tox21_300430 -NCGC00259609-01 196721253 tox21-ror-cho-viability-p1 set3 4 -7.62508153 -4.25091263 -1.79087494 3.37505616 -7.02692534 -4.78834022 -6.69961395 -8.07931039 -5.6436407 0.79379679 -5.95996883 -4.50459143 -6.37725445 -2.29230619 0.26972833 1.183E-9 2.6459999999E-9 5.916E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.395E-7 0.0000016539999999 0.0000036979999999 0.000008268 0.000018489999999 0.00004134 0.000092439999999 56-55-3 5954 144209258 A F Benz(a)anthracene c1c4ccccc4cc3c1ccc2ccccc23 Tox21_202060 -NCGC00259020-01 196721271 tox21-ror-cho-viability-p1 set3 4 -7.67482042 -6.33845878 -3.89057846 -1.83935506 -4.24611441 -17.48647145 -6.70817636 -7.23783079 -7.42925092 -5.67884955 -10.68903736 -9.56774492 -7.98502703 -6.69331886 -12.68128171 1.198E-9 2.6779999999E-9 5.988E-9 1.339E-8 2.994E-8 6.6949999999E-8 1.497E-7 3.347E-7 7.485E-7 0.0000016739999999 0.000003742 0.000008368 0.00001871 0.00004184 0.000093559999999 60207-90-1 43234 144208667 A A Propiconazole Clc1ccc(c(Cl)c1)C3(Cn2ncnc2)OCC(CCC)O3 Tox21_201469 -NCGC00256509-01 196718784 tox21-ror-cho-viability-p1 set2 4 6.1130564862 -4.732913412 2 -2.732913412 4.9549173134 0.5001559263 0.1816750898 1.6646758 0.13215194 1.67188856 2.69344342 3.29463687 1.90107968 3.00339104 1.08814347 -0.48315676 0.02494859 5.40494761 -4.5224331 -0.90745076 -0.14755433 -5.19409451 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 127-47-9 638034 144213054 F Fns Retinol acetate CC=1CCCC(C)(C)C=1/C=CC(\C)=C\C=C\C(\C)=C\COC(C)=O Tox21_302737 -NCGC00256588-01 196718769 tox21-ror-cho-viability-p1 set2 4 54.4826732819 -18.203368096 2 -16.203368096 2.1876167061 0.8465314464 0.0025404832 0.45755312 0.97219603 2.08528816 0.46196996 1.10768344 5.31119275 0.83524918 4.60039868 1.01521837 0.1176532 4.33518427 1.8986167 -0.11691128 -4.22613775 -11.83614008 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58-33-3 6014 144213195 A B Promethazine hydrochloride Cl.CN(C)C(C)CN1c3ccccc3Sc2ccccc12 Tox21_302878 -NCGC00255675-01 196718779 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -12.31357574 -0.5 -12.81357574 4.9549173134 0.3441582371 0.3271028551 1.961787 2.28110548 -0.42126908 3.80989438 -8.12848654 -7.35844669 -0.96912973 -0.62985557 -0.49274556 1.17896537 1.52329438 -0.01736317 0.71034228 1.97354321 -9.84464645 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33228-44-3 93162 144212016 A A 4-Pentylaniline Nc1ccc(CCCCC)cc1 Tox21_301699 -NCGC00257133-01 196718783 tox21-ror-cho-viability-p1 set2 4 -0.75707194 1.17055855 1.60850855 0.6682745 -0.00965998 1.98091837 1.89905528 5.17281976 2.99975706 1.68655861 5.72084866 3.86407493 4.22130192 5.91251262 1.99211085 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 2893-78-9 517121 144213579 F Sodium dichloroisocyanurate [Na+].ClN1C(=O)[N-]C(=O)N(Cl)C1=O Tox21_303262 -NCGC00257316-01 196718786 tox21-ror-cho-viability-p1 set2 4 0.87892745 -3.8974772 -3.2074278 -2.62493347 -13.29224905 -3.26436939 -2.50963713 0.43025691 -4.2442854 -0.71990159 -3.88368086 -3.45452576 1.60354788 -3.23804909 -2.97675269 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 542-76-7 10963 144213770 A 3-Chloropropionitrile ClCCC#N Tox21_303460 -NCGC00256940-01 196718792 tox21-ror-cho-viability-p1 set2 4 0.2546538 1.4317421 2.37376175 1.2284333 -6.49192573 -2.75120272 1.77160239 0.00863265 -8.26668803 1.12555784 0.50823594 -3.73439443 0.57604945 0.69619645 3.47306058 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-08-8 8326 144213529 Tetrachlorophthalic anhydride O=C1OC(=O)c2c1c(Cl)c(Cl)c(Cl)c2Cl Tox21_303212 -NCGC00256987-01 196719187 tox21-ror-cho-viability-p1 set2 4 0.68534676 -4.41527552 -0.45291105 -1.01657784 -2.49539918 -8.0445592 -5.30126963 -1.38991806 -0.82249966 -1.15346353 0.65768812 1.06232531 -5.860687 -2.91630704 -0.25293738 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-00-0 7361 144213410 Ac Furfuryl alcohol OCc1ccco1 Tox21_303093 -NCGC00256583-01 196719199 tox21-ror-cho-viability-p1 set2 4 0.63194043 0.90277143 -0.33700877 -13.85163531 0.75604407 4.58550297 0.17292163 3.59159901 0.62560716 0.93293643 3.60825076 -5.79432366 -0.52131971 1.2961819 -5.04164875 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-04-7 7418 144213113 A A 3-Methylbenzoic acid Cc1cccc(c1)C(O)=O Tox21_302796 -NCGC00256415-01 196719201 tox21-ror-cho-viability-p1 set2 4 0.0015355304 12.6390805479 -13.1390805479 -0.5 4.9549173134 0.4124344351 0.2613941515 -10.94923379 1.71014384 -0.47371034 -2.43321625 -2.27657235 -1.73313694 1.89324807 -1.37678158 2.3336678 1.06551273 2.06236777 -9.47439262 2.78597396 1.41922521 -2.4753228 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51333-22-3 40000 144213132 A A Budesonide OCC(=O)[C@@]53O[C@@H](O[C@@H]5C[C@H]2[C@@H]4CCC1=CC(=O)C=C[C@]1(C)[C@H]4[C@@H](O)C[C@@]23C)CCC Tox21_302815 -NCGC00256360-01 196719202 tox21-ror-cho-viability-p1 set2 4 -1.72346758 -0.26732843 1.49663246 -13.3901553 -10.0038429 0.89224734 -1.87994617 -1.37821386 -1.77400227 0.55034192 -1.88580349 1.4356378 -4.09645193 -2.76135387 0.89120206 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-17-8 444972 144213143 A A Fumaric acid O=C(O)/C=C/C(=O)O Tox21_302826 -NCGC00164164-02 196719209 tox21-ror-cho-viability-p1 set2 4 -5.64329935 -2.91307489 -4.72953757 -7.43519588 -3.06643366 -15.94126195 -7.87665191 -0.0371893 -8.37801969 -2.79507985 0.78216887 -2.60131854 -4.46758753 -1.22902714 -0.21519982 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00254842-01 196719638 tox21-ror-cho-viability-p1 set3 4 0.0024336516 18.080705824 -22.458814716 -4.378108892 0.3 0.3967628549 0.2927777117 -13.19005239 -17.46567893 -8.27769453 -7.7888089 -16.05342085 -11.94465878 -4.85836105 -8.7447362 -4.65000328 -7.13622491 -1.98175741 -7.78630896 -5.31236068 -10.33243977 -18.13648956 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23184-66-9 31677 144211257 A A Butachlor ClCC(=O)N(COCCCC)c1c(cccc1CC)CC Tox21_300940 -NCGC00185767-01 196717570 tox21-ror-cho-viability-p1 set2 4 1.68160078 -0.17845773 0.78564045 0.95508522 1.1618168 2.08325167 2.34065498 4.50078785 -0.64624099 0.00683011 -0.6703255 -4.54012616 -3.44705837 -3.62628971 -3.96734698 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 24916-51-6 5284620 144207139 D D Spiramycin II CN(C)[C@H]1CC[C@H](O[C@@H]1C)O[C@H]4C=CC=CC[C@@H](C)OC(=O)C[C@@H](OC(C)=O)[C@H](OC)[C@@H](O[C@@H]3O[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](O)[C@H](C)O2)[C@@H]([C@H]3O)N(C)C)[C@@H](CC=O)C[C@H]4C Tox21_113590 -NCGC00160537-04 196717555 tox21-ror-cho-viability-p1 set2 4 0.20759884 -0.88161068 1.95127967 -0.00384398 6.55112201 0.29090375 -0.68393203 0.44591535 -1.15831046 5.50608906 -0.7085845 -0.18161393 0.7412603 -1.89384837 -3.69091548 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00013130-04 196717564 tox21-ror-cho-viability-p1 set2 4 -4.17427178 -8.78663536 -0.12520944 -8.3810805 -0.65486066 -1.57373232 -3.55176769 -2.53043633 0.05360743 1.94151093 -4.4441385 -0.15811493 -5.59448281 -9.94089653 -10.90511487 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5424-37-3 79472 170466399 A Aminoquinuride dihydrochloride Cl.Cl.Nc1cc(C)nc2ccc(cc12)NC(=O)Nc3ccc4nc(C)cc(N)c4c3 Tox21_110013_1 -NCGC00274083-01 196717566 tox21-ror-cho-viability-p1 set2 4 3.81581796 -0.17762271 2.55225346 3.71837341 6.01491093 5.5357923 6.13870672 3.21965634 2.85998533 2.47633512 2.57460763 0.20385299 0.46326129 2.52265075 4.18861208 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 107097-80-3 60182 170465971 A A Loxiglumide Clc1ccc(cc1Cl)C(=O)NC(CCC(=O)O)C(=O)N(CCCCC)CCCOC Tox21_113968 -NCGC00024714-11 196722843 tox21-ror-cho-viability-p1 set3 4 0.0038686678 -15.95515186 -12.47770341 0 0 0 0 0 0 6.40419014 6.40703328 7.8474683 5.74950888 3.34471342 7.14002611 8.81099219 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 486-12-4 5282443 170464931 A Triprolidine Cc1ccc(cc1)C(=C\CN2CCCC2)/c3ccccn3 Tox21_110919_1 -NCGC00181756-01 196723233 tox21-ror-cho-viability-p1 set3 4 13.3331902297 -13.850082652 2.5 -11.350082652 3.5117481694 0.6392295224 0.083368913 5.78027881 -1.88258838 4.20059858 4.87248581 0.33821783 4.37245576 0.05055829 -0.94976305 3.13783664 1.63393812 6.48185968 0.5006763 1.85563533 -11.95840221 16.04873332 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 11042-64-1 5282164 144206489 F D gamma-Oryzanol Oc1ccc(cc1OC)/C=C/C(=O)O[C@H]4CC[C@]63C[C@@]56CC[C@]2(C)[C@H](CC[C@@]2(C)[C@@H]5CC[C@H]3C4(C)C)[C@H](C)CC\C=C(/C)C Tox21_112482_1 -NCGC00160682-02 196723630 tox21-ror-cho-viability-p1 set3 4 0.0084126743 6.2724034239 -0.7724034239 5.5 4.9549173134 0.5062661239 0.1909181755 -1.11282614 1.22450313 -1.89366952 -0.88341324 7.98917924 4.40801838 2.46380292 -0.4526263 9.55390964 8.59743794 8.17201712 4.17645619 3.50429233 6.2012334 -2.6772807 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-14-4 7176 170466550 A Isocaine Nc1ccc(cc1)C(=O)OCC(C)C Tox21_111985_1 -NCGC00018200-12 196723240 tox21-ror-cho-viability-p1 set3 4 0.0118832183 9.382718344 -7.882718344 1.5 4.9549173134 0.5395439228 0.1444219648 -7.51615322 1.67515591 -16.98559862 -8.49895877 0 -1.33526645 0 -0.39192611 4.70575614 0.27959312 3.44172494 2.32066042 1.230139 1.20784135 2.18111732 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77-09-8 4764 170465559 A Phenolphthalein Oc1ccc(cc1)C3(OC(=O)c2ccccc23)c4ccc(O)cc4 Tox21_110838_1 -NCGC00165856-03 196722845 tox21-ror-cho-viability-p1 set3 -3 29.8492948118 -52.4866719259 0.151901874 -52.3347700519 4.5044702849 0.9054166835 0.0002434649 2.12400979 -3.8035298 0.42219969 0.09647283 -1.58352442 -3.28714627 -2.75744361 -6.51584492 6.97391993 3.41085404 7.78533955 -1.66359824 -0.05646662 -8.70844483 -45.69564171 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 96829-58-2 5284600 170464663 A Orlistat O=C(O[C@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)CCCCCCCCCCC)C(CC(C)C)NC=O Tox21_111437_1 -NCGC00263961-02 196722847 tox21-ror-cho-viability-p1 set3 2.4 26.6032120037 30.9172663721 0.5827336279 31.5 4.9549173134 0.9016329338 0.0002975143 -1.55318603 1.83898494 6.91166531 -0.2674252 -0.40263211 -0.7698191 -1.2586697 4.75412487 -2.43105531 -1.89446628 -1.02565662 1.30737855 -0.18310808 7.43697579 29.72414806 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104376-79-6 60196280 170465387 A Ceftriaxone disodium trihydrate [Na+].[Na+].O.O.O.Nc1scc(n1)\C(=N\OC)C(=O)N[C@@H]4C(=O)N3C(=C(CSC2=NC(=O)C([O-])=NN2C)CS[C@@H]34)C([O-])=O Tox21_111386_1 -NCGC00090704-03 196723242 tox21-ror-cho-viability-p1 set3 4 0.5448267328 -3.934989884 3 -0.934989884 4.9549173134 0.3601132657 0.3133072101 -1.94245353 5.3427006 5.78354821 3.26461944 0.89646662 5.15199919 1.20175762 5.78540751 -1.59575365 -1.01077203 1.37617948 1.254792 -5.36249157 1.16320774 -0.79438497 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00247932-02 196723249 tox21-ror-cho-viability-p1 set3 4 1.1883218301 -6.7397172599 3 -3.7397172599 2.1210667061 0.5590770192 0.1290160531 -1.29364375 2.44530223 -0.32198574 7.25051301 5.23078526 3.72189071 6.12726979 4.31823042 -0.51200061 1.73018306 -1.17578571 -6.86643105 0.68795195 -5.22651504 -4.44295042 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127308-98-9 60196362 170466398 A Zamifenacin fumarate O=C(O)/C=C/C(=O)O.c1cc(cc2OCOc12)CCN5CCC[C@H](OC(c3ccccc3)c4ccccc4)C5 Tox21_113572_1 -NCGC00249610-02 196723253 tox21-ror-cho-viability-p1 set3 2.2 5.3080386368 51.832244285 -0.691987003 51.140257282 0.4 0.7790994736 0.0119424802 2.05019506 4.11376981 3.9981835 1.00033746 -0.47757485 0.71581033 2.02076254 6.78823297 27.72691798 21.71872908 20.10683043 17.77772593 22.0572454 25.50049769 45.71139698 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69388-79-0 50491 170466792 A Pivoxil Sulbactam O=S1(=O)C2CC(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)C1(C)C Tox21_113082_1 -NCGC00091088-05 196723256 tox21-ror-cho-viability-p1 set3 4 0.3857077887 6.5319433839 -3.5319433839 3 3.5117481694 0.3620900342 0.3087113929 -2.76105427 -2.66951555 -9.432731 1.0872927 0 0 -13.35995282 0 4.1462273 2.29436711 3.09726129 0.76104125 -2.66693627 2.9167832 9.90954481 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00259421-01 196722232 tox21-ror-cho-viability-p1 set3 4 -6.36800432 -3.0226524 2.30008431 0.99310523 -8.91945177 -4.58349223 -7.83771252 -4.81319284 -6.06330012 2.77730308 1.10687205 -0.67271422 -9.34078854 -3.06615212 -14.35591897 1.167E-9 2.609E-9 5.8339999999E-9 1.304E-8 2.917E-8 6.522E-8 1.458E-7 3.261E-7 7.2919999999E-7 0.000001631 0.000003646 0.000008153 0.00001823 0.000040759999999 0.00009115 126-73-8 31357 144209070 A A Tributyl phosphate CCCCOP(=O)(OCCCC)OCCCC Tox21_201872 -NCGC00259846-01 196722230 tox21-ror-cho-viability-p1 set3 4 -3.61395611 -1.32114728 0.66378941 7.6044388 -1.88250331 -1.43319427 -1.12512263 -5.3792868 -5.11669866 -3.67765223 -3.30677596 -4.05638776 -2.92044472 3.44406859 1.42852978 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.33E-7 7.445E-7 0.000001665 0.0000037229999999 0.000008324 0.00001861 0.00004162 0.00009306 631-64-1 12433 144209495 A A Dibromoacetic acid BrC(Br)C(=O)O Tox21_202297 -NCGC00259773-01 196722228 tox21-ror-cho-viability-p1 set3 4 20.2389773468 -22.896591536 -4 -26.896591536 0.3 0.3249341422 0.3437840963 -10.0976679 -9.22846471 0.6933448 1.51526499 -11.34026064 -12.87109568 -15.25692759 -7.95955194 -12.62592122 -1.36128586 -7.98392637 -16.70658196 -20.05223794 -11.42006717 -21.16382628 1.226E-9 2.742E-9 6.131E-9 1.371E-8 3.066E-8 6.855E-8 1.5329999999E-7 3.4269999999E-7 7.664E-7 0.0000017139999999 0.000003832 0.000008568 0.00001916 0.00004284 0.0000958 91-94-1 7070 144209422 A A 3,3'-Dichlorobenzidine Nc1ccc(cc1Cl)c2ccc(N)c(Cl)c2 Tox21_202224 -NCGC00259880-01 196722231 tox21-ror-cho-viability-p1 set3 4 -5.7704571 -2.663172 -2.58108945 -1.11679383 -7.82447588 -7.86116777 -22.08862323 -6.38387523 -10.23083745 -4.26339711 -5.67658662 -7.06357378 -3.13998923 -4.00473449 -10.84464811 1.1919999999E-9 2.6649999999E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.662E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004164 0.000093099999999 107534-96-3 86102 144209529 A A Tebuconazole OC(Cn1cncn1)(CCc2ccc(Cl)cc2)C(C)(C)C Tox21_202331 -NCGC00015898-15 196723103 tox21-ror-cho-viability-p1 set3 4 0.421632496 17.8385425479 -8.3385425479 9.5 4.9549173134 0.6179996864 0.0841732383 5.30153078 -2.8673429 -12.16397635 -16.45709025 -15.84301101 -8.43221683 0 -16.53211879 -2.87352726 14.09353585 15.6545316 10.41532805 3.10543643 10.06044351 2.10814643 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61413-54-5 5092 170465962 A Rolipram COc2ccc(cc2OC1CCCC1)C3CC(=O)NC3 Tox21_110672_1 -NCGC00015358-18 196723090 tox21-ror-cho-viability-p1 set3 4 0.2113168243 18.9462437719 -8.4462437719 10.5 1.01 0.7942594202 0.0089497869 -9.35643814 0.46030692 -12.87186981 -11.55409096 -10.25675995 -2.67406389 0 -0.15682044 -3.09132216 9.36422479 11.94308592 11.28188294 9.27973018 10.08689126 6.88120999 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3737-09-5 3114 170464947 A Disopyramide CC(C)N(CCC(c1ccccn1)(c2ccccc2)C(N)=O)C(C)C Tox21_110727_1 -NCGC00023193-06 196723091 tox21-ror-cho-viability-p1 set3 4 0.5308038637 9.5277388359 -1.5277388359 8 1.6266150999 0.6271224311 0.0786198722 0 2.55671212 1.45601049 0 -9.60644903 -2.22915144 0 -2.4121475 2.99453045 4.98784107 6.54259163 7.12278679 3.4377721 7.88931425 12.56230313 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 76-25-5 6436 170464660 A Triamcinolone acetonide OCC(=O)[C@@]54OC(C)(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_110885_1 -NCGC00015708-15 196723096 tox21-ror-cho-viability-p1 set3 4 0.2371013766 9.4635261279 -1.9635261279 7.5 4.9549173134 0.5924137468 0.1025209554 2.04161904 0.71336968 -2.14140985 -0.08911413 3.97425071 -7.94930858 -10.80293844 -2.31295945 10.29920439 7.18997772 12.26077442 4.5848628 7.02136017 8.22710136 4.0567585 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10262-69-8 4011 170464778 A Maprotiline hydrochloride CNCCCC24CCC(c1ccccc12)c3ccccc34 Tox21_110200_1 -NCGC00091019-08 196723107 tox21-ror-cho-viability-p1 set3 4 2.85042682 0.79384447 1.3017802 2.84833198 -15.02778704 -20.27073231 -2.26719282 0 3.00576591 3.79543897 4.32329417 2.20176892 -0.97339669 5.00630573 8.31865118 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 378-44-9 9782 170465027 A Dexamethasone OCC(=O)[C@@]4(O)[C@@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_112115_1 -NCGC00095622-04 196723511 tox21-ror-cho-viability-p1 set3 4 0.2984929481 -15.088700784 2.5 -12.588700784 4.9549173134 0.6069735058 0.1055172275 0 1.90095928 13.45792946 -8.16663765 -2.61705885 14.39523965 -3.62308639 4.9862952 -9.17574466 -15.07391732 -13.22154654 -10.23174585 -12.6925049 -11.36760183 0.62693655 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68-94-0 790 170466739 B Hypoxanthine O=C2NC=Nc1ncnc12 Tox21_111511_1 -NCGC00015506-07 196723512 tox21-ror-cho-viability-p1 set3 2.4 13.3331902297 23.71905314 0.28094686 24 0.6 0.7294160291 0.0263262126 2.29255605 -0.22237044 0.10441782 1.37283184 2.32498232 -0.59921095 0.3511859 1.18821197 1.11247347 6.18694869 3.07963627 15.66561481 9.24514003 7.05523303 20.29942601 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118909-22-1 5702293 170466309 A Hydroxytacrine maleate O=C(O)/C=C\C(=O)O.Nc1c3ccccc3nc2CCCC(O)c12 Tox21_110164_1 -NCGC00258407-01 196729560 tox21-ror-cho-viability-p1 set3 4 -0.10864807 2.762812 0.49648568 -0.86736314 1.66344465 1.36261519 0.10694398 0.62282864 -0.77887213 5.22667671 1.12405713 0.93762472 0.18706324 1.11471292 0.45201816 1.1739999999E-9 2.626E-9 5.871E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.282E-7 7.339E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.000091739999999 620-22-4 12104 144208051 A A 3-Methylbenzonitrile N#Cc1cccc(C)c1 Tox21_200853 -NCGC00164077-02 196729144 tox21-ror-cho-viability-p1 set3 4 1.9331181962 15.618341248 -8.118341248 7.5 1.92824246 0.5577380003 0.1445051794 -1.30029438 -2.85867739 -3.6633969 -7.86779666 -7.75953134 -13.36460194 -14.68195104 -11.62054056 -10.01574054 6.21729586 -5.79944185 12.45841297 12.10590998 1.89170617 -3.00097836 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00258112-01 196729543 tox21-ror-cho-viability-p1 set3 4 68.4501412252 -16.049923164 0 -16.049923164 4.9549173134 0.8650373409 0.001411391 -0.08010453 -0.01653316 -0.42999864 -0.60248713 -1.92191966 1.45346402 1.71135899 0.0077721 -0.91003724 -0.640619 -0.48756599 0.18338044 0.12297034 2.59165374 -13.37493597 1.1779999999E-9 2.633E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.00000368 0.00000823 0.000018399999999 0.00004115 0.00009201 14868-03-2 84677 144207756 A A Bis(4-hydroxyphenyl)-2,2-dichloroethylene Oc1ccc(cc1)\C(=C(/Cl)Cl)c2ccc(O)cc2 Tox21_200558 -NCGC00258648-01 196729558 tox21-ror-cho-viability-p1 set3 4 1.6426849 -0.4046928 0.16432783 -7.79845137 0.91270121 -6.4692391 0.45054581 1.54481939 0.23171503 1.28154758 0.23381397 0.86103954 -2.52501214 0.37469197 1.95066624 1.144E-9 2.5579999999E-9 5.72E-9 1.2789999999E-8 2.8599999999E-8 6.395E-8 1.4299999999E-7 3.197E-7 7.1489999999E-7 0.0000015989999999 0.000003575 0.000007993 0.00001787 0.00003997 0.00008937 13360-63-9 25914 144208294 FNS N-Ethyl-N-butylamine CCNCCCC Tox21_201096 -NCGC00258594-01 196729959 tox21-ror-cho-viability-p1 set3 4 0.87964201 2.75730851 3.34326406 2.98630132 7.17007714 3.72305235 0.60773234 3.74875038 3.99461911 -0.77320156 3.85231962 0.99403386 3.13103084 1.97957393 0.96265847 1.162E-9 2.599E-9 5.812E-9 1.2999999999E-8 2.9059999999E-8 6.4979999999E-8 1.453E-7 3.249E-7 7.265E-7 0.000001625 0.0000036329999999 0.0000081229999999 0.00001816 0.00004061 0.000090819999999 63213-29-6 113124 144208239 A A 2,4,5-Triethoxyacetophenone CCOc1cc(OCC)c(cc1OCC)C(C)=O Tox21_201041 -NCGC00257779-01 196729964 tox21-ror-cho-viability-p1 set3 4 6.119273681 4.7976851039 -3.7976851039 1 4.9549173134 0.3148515911 0.3555944963 0.88670652 -7.67664455 -6.12542758 -2.39714014 -6.53373607 -1.75911196 -2.05107353 0.55308998 -8.99807092 0.00309159 -7.20921115 2.00500793 0.42853174 0.4075038 1.33351935 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.476E-7 3.3009999999E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008253 0.00001846 0.00004127 0.000092279999999 112-62-9 5364509 144207423 A Fns Methyl (9Z)-octadec-9-enoate O=C(CCCCCCC/C=C\CCCCCCCC)OC Tox21_200225 -NCGC00168342-02 196729965 tox21-ror-cho-viability-p1 set3 4 -28.49369606 2.03349551 -11.02725308 -18.95403841 0 -4.87220192 0 -24.25928595 -4.4930385 -1.6360919 -3.94880284 -7.9109626 -8.12763895 -11.03638669 -8.56677348 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00258359-01 196729969 tox21-ror-cho-viability-p1 set3 4 0.92083396 1.56886766 1.47018156 -2.49745469 -1.22784864 2.64723033 1.52193759 1.10740629 0.98862343 2.16890795 -1.02457313 -0.72341661 -0.68737752 -2.5175753 0.49461767 1.2049999999E-9 2.694E-9 6.0249999999E-9 1.347E-8 3.012E-8 6.736E-8 1.506E-7 3.368E-7 7.5309999999E-7 0.0000016839999999 0.000003766 0.0000084199999999 0.000018829999999 0.0000421 0.000094139999999 610-15-1 11876 144208003 A A 2-Nitrobenzamide O=[N+]([O-])c1ccccc1C(N)=O Tox21_200805 -NCGC00257588-01 196729971 tox21-ror-cho-viability-p1 set3 4 7.7820517375 17.9581432719 -11.9581432719 6 4.9549173134 0.4278929575 0.2446289766 3.71490478 -6.06965587 4.94294488 -10.69551056 -6.4978625 -19.49333731 -15.91230591 -18.18387466 -18.3888457 -26.63178606 -18.71491865 0 2.48734764 7.01229333 6.78699666 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.976E-8 6.656E-8 1.4879999999E-7 3.3279999999E-7 7.441E-7 0.0000016639999999 0.000003721 0.000008319 0.0000186 0.0000416 0.00009301 16045-92-4 27655 144207232 C Chlorobutanedioic acid O=C(O)CC(Cl)C(=O)O Tox21_200034 -NCGC00257679-01 196730377 tox21-ror-cho-viability-p1 set3 4 1.66220362 -0.45779166 2.88566337 -0.66219932 -0.0157174 1.81274963 0.08153522 2.06685283 0.71691853 2.65928812 2.18253505 0.53054258 0.73681748 0.02178522 0.12067811 1.202E-9 2.688E-9 6.01E-9 1.344E-8 3.005E-8 6.719E-8 1.5019999999E-7 3.36E-7 7.5119999999E-7 0.0000016799999999 0.0000037559999999 0.0000083989999999 0.00001878 0.00004199 0.0000939 823-40-5 13205 144207323 A A 2,6-Toluenediamine Nc1cccc(N)c1C Tox21_200125 -NCGC00257819-01 196730385 tox21-ror-cho-viability-p1 set3 4 0.6865937997 27.6448977118 -26.2397147849 1.4051829269 0.7999999999 0.675068158 0.0500174712 -30.85347167 -12.45993557 -25.61402339 -30.65404064 -28.57813344 -23.92734467 -27.63305861 0 -14.53023798 -9.05557273 -9.39185738 -8.56792388 11.04286979 1.66207541 -2.39631872 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.00000369 0.000008252 0.000018449999999 0.000041259999999 0.00009226 100-19-6 7487 144207463 A A 4-Nitroacetophenone O=[N+]([O-])c1ccc(cc1)C(C)=O Tox21_200265 -NCGC00259532-01 196706762 tox21-ror-cho-viability-p1 set1 4 3.14952518 0.14327176 -0.83967389 1.96402234 3.07011401 5.00441044 -4.99931831 0.15824045 8.99766947 14.36231222 -1.3111886 0.4293306 -0.99886666 1.74336273 1.69978397 1.1699999999E-9 2.6159999999E-9 5.849E-9 1.3079999999E-8 2.925E-8 6.54E-8 1.462E-7 3.27E-7 7.3119999999E-7 0.000001635 0.000003656 0.000008175 0.00001828 0.000040869999999 0.0000914 2461-15-6 17162 144209181 A F 2-Ethylhexyl glycidyl ether CCC(CCCC)COCC1CO1 Tox21_201983 -NCGC00259591-01 196706355 tox21-ror-cho-viability-p1 set1 4 4.93731469 0.77906226 2.88584909 -1.62876492 1.26878729 3.23830217 3.35756481 1.2485652 -20.76670777 3.78309011 1.09449162 0.77857735 -1.08484137 -0.17083464 0.00641312 1.182E-9 2.6429999999E-9 5.9109999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.304E-7 7.3889999999E-7 0.0000016519999999 0.0000036939999999 0.000008261 0.000018469999999 0.000041299999999 0.000092359999999 141-17-3 8836 144209240 A A Bis[2-(2-butoxyethoxy)ethyl] hexandioate CCCCOCCOCCOC(=O)CCCCC(=O)OCCOCCOCCCC Tox21_202042 -NCGC00163724-03 196724701 tox21-ror-cho-viability-p1 set3 4 -6.12205006 2.55511453 -0.64199772 1.36420092 0.68891569 -9.4814728 -4.89307514 1.15808084 -4.67905442 2.28359108 2.97427503 2.06802445 8.30573257 -4.87641002 -6.06508452 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00260198-01 196724288 tox21-ror-cho-viability-p1 set3 4 0.3013415069 -6.6350719239 5 -1.6350719239 4.9549173134 0.4924001091 0.185948168 -2.69831419 7.75000958 4.99694413 4.78026487 6.09604042 8.60422734 6.02368095 0.252728 0.79190819 -8.44589327 2.41804415 -0.57630158 -0.71356109 -0.1860429 -4.39987388 1.281E-9 2.8639999999E-9 6.404E-9 1.4319999999E-8 3.202E-8 7.1599999999E-8 1.6009999999E-7 3.5799999999E-7 8.005E-7 0.00000179 0.000004003 0.0000089499999999 0.00002001 0.00004475 0.0001001 244193-50-8 2734179 144209848 A A 1-Hexyl-3-methylimidazolium tetrafluoroborate F[B-](F)(F)F.C[n+]1ccn(CCCCCC)c1 Tox21_202650 -NCGC00357175-01 196724302 tox21-ror-cho-viability-p1 set3 -2.2 20.4268024262 -66.1531460824 -0.2522025 -66.4053485824 1.9673362061 0.9517274783 0.0000069328 -5.82453023 -2.07361102 1.16619511 1.99649823 3.81832993 6.15433668 -4.23731839 4.38030716 -2.65199302 -3.47779879 -4.8519661 1.81106849 -14.27350785 -36.06151271 -56.36768832 6.312E-10 1.4109999999E-9 3.156E-9 7.056E-9 1.578E-8 3.5279999999E-8 7.889E-8 1.764E-7 3.945E-7 8.821E-7 0.000001972 0.00000441 0.000009862 0.00002205 0.00004931 82-44-0 6709 251919953 F 1-Chloroanthraquinone O=C3c1ccccc1C(=O)c2c3cccc2Cl Tox21_303937 -NCGC00357127-01 196724303 tox21-ror-cho-viability-p1 set3 4 1.89364379 -13.89817273 -1.00213209 -8.33148806 -3.04013028 0.49506225 -6.64728377 2.0617106 -3.85350011 0.8005339 2.92513848 1.36825896 -1.35370126 2.71698636 1.58706107 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-48-5 7937 251919847 Ac 2,6-Dimethylpyridine Cc1cccc(C)n1 Tox21_303862 -NCGC00260298-01 196724704 tox21-ror-cho-viability-p1 set3 4 0.0333144004 5.928276864 -7.928276864 -2 0.7999999999 0.6318993531 0.0770442712 -7.70944624 -6.14726907 -5.82693839 -9.94023072 -5.21537409 -5.25205693 -3.19679685 -3.33822873 -3.73094857 0.49077721 -1.74238809 -4.22452475 -3.71937561 -2.79754584 0.83299296 5.873E-10 1.313E-9 2.9369999999E-9 6.566E-9 1.468E-8 3.283E-8 7.3419999999E-8 1.642E-7 3.6709999999E-7 8.2079999999E-7 0.0000018349999999 0.000004104 0.0000091769999999 0.00002052 0.00004588 5281-04-9 9571018 144209948 Z F D&C Red No. 7 [Ca+2].O=S([O-])(=O)c3cc(C)ccc3/N=N/c1c2ccccc2cc(C([O-])=O)c1O Tox21_202750 -NCGC00260498-01 196724711 tox21-ror-cho-viability-p1 set3 4 0.0017036384 14.5010221079 -10.5010221079 4 3.2974983358 0.447363379 0.227929185 -7.08418509 1.01960804 2.75920457 4.88116873 4.42044864 5.87660799 5.43042534 8.42365972 4.27527783 10.33581718 3.79188133 3.26164276 -3.19232547 -0.23747142 1.08589849 1.1689999999E-9 2.6129999999E-9 5.844E-9 1.3069999999E-8 2.922E-8 6.5339999999E-8 1.461E-7 3.267E-7 7.305E-7 0.0000016329999999 0.000003652 0.000008167 0.00001826 0.000040829999999 0.000091309999999 938-85-2 70315 144210150 F Fns 1-Methylguanine N=C2Nc1ncnc1C(=O)N2C Tox21_202952 -NCGC00260085-01 196724719 tox21-ror-cho-viability-p1 set3 -2.1 27.2504920471 -124.6785186809 -5.310950984 -129.9894696649 0.8999999999 0.9793280469 5.74E-8 -1.70265285 -7.09875972 -7.68703682 -6.48308252 -8.91479102 -5.8714229 -7.63498252 -9.57023323 -2.59123048 -6.95643723 -30.08028116 -40.55969044 -49.72596514 -81.75955668 -99.38032849 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.3169999999E-8 2.944E-8 6.583E-8 1.472E-7 3.291E-7 7.3599999999E-7 0.0000016459999999 0.00000368 0.0000082289999999 0.000018399999999 0.000041139999999 0.000092 7789-12-0 108005 144209734 Sodium dichromate(VI) dihydrate [Na+].[Na+].O.O.[O-][Cr](=O)(=O)O[Cr]([O-])(=O)=O Tox21_202536 -NCGC00249908-01 196725113 tox21-ror-cho-viability-p1 set3 1.2 1.0590929458 73.754201598 -3.095807406 70.658394192 0.4 0.9417856811 0.000019199 2.28711086 -0.49369847 0.40779507 2.09156332 3.48411048 19.56764351 24.00522666 25.56430823 23.18013626 22.87311505 35.67422946 45.08242989 47.86186748 59.53999395 55.10791366 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17243-57-1 21777 170465601 Ac F Mefenorex CC(NCCCCl)Cc1ccccc1 Tox21_113684 -NCGC00256129-01 196728930 tox21-ror-cho-viability-p1 set3 4 1.5604953 -4.95316361 -3.24027121 -2.50996418 3.49906295 0.49625571 -2.54060896 -4.62555912 3.87150937 -0.9992111 2.84739475 1.34503712 1.436875 1.7251776 0.54315391 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2917-73-9 18016 144211587 A A Dibutyl nonanedioate O=C(CCCCCCCC(=O)OCCCC)OCCCC Tox21_301270 -NCGC00255535-01 196728508 tox21-ror-cho-viability-p1 set3 4 0.001554288 24.032691028 -11.532691028 12.5 4.9549173134 0.3645087765 0.3215788553 -7.94390919 19.96920179 16.10893049 17.93319258 5.06200199 9.97683989 5.79287484 23.06427117 22.5595147 3.8062648 14.25969665 6.16365856 10.67536114 5.32020276 0.337207 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 921-20-0 61234 144212194 F F 3-(Hydroxymethyl)pentane-2,4-diol CC(O)C(CO)C(C)O Tox21_301877 -NCGC00256059-01 196728917 tox21-ror-cho-viability-p1 set3 4 -4.69659937 -1.00157857 1.98257872 -0.86261985 2.36146743 2.15341262 2.4883343 2.04264302 2.40861295 2.33996864 5.00462219 -2.87843709 -0.29626112 0.47142694 1.22734044 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 36431-72-8 61953 144212606 D F Theaspirane CC2=CCCC(C)(C)C12CCC(C)O1 Tox21_302289 -NCGC00256108-01 196728922 tox21-ror-cho-viability-p1 set3 -2.4 41.0490694922 -27.013255336 0.5 -26.513255336 1.9673362061 0.8320779771 0.003749087 1.34870398 -0.33498089 -1.96983869 -3.28905627 0.04493764 2.53515347 2.16221988 3.18385173 2.59275866 1.81526156 3.49495548 -10.05979478 -1.37226017 -15.76211948 -25.42771278 1.368E-9 3.059E-9 6.8389999999E-9 1.529E-8 3.42E-8 7.647E-8 1.71E-7 3.823E-7 8.549E-7 0.0000019119999999 0.000004275 0.0000095579999999 0.00002137 0.000047789999999 0.0001069 140-90-9 23690437 144212082 F Sodium O-ethyl carbonodithioate [Na+].[S-]C(=S)OCC Tox21_301765 -NCGC00344545-01 196698308 tox21-ror-cho-viability-p1 set1 4 26.6032120037 10.417701224 -1.417701224 9 1.01 0.4237390736 0.2524940638 -3.66524965 -0.02973312 1.38064361 2.81256532 -0.26093756 -1.77953715 -3.43937018 -5.76475102 -2.55734136 -2.40975808 2.18159088 0.47120829 1.66672025 1.06620698 6.17391427 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5817-39-0 644280 170466876 A 3,3',5'-Triiodo-L-thyronine Ic2cc(Oc1ccc(C[C@H](N)C(=O)O)cc1I)cc(I)c2O Tox21_112797_1 -NCGC00160646-02 196698307 tox21-ror-cho-viability-p1 set1 4 -0.73864709 3.9448911 0.88250519 0.84136966 0.9847784 -3.17889803 0.93529949 -3.4820162 0.42660934 -0.54446808 4.30284101 -0.11907845 -0.21320839 -0.16494906 0.17871184 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 24886-52-0 159977 170466412 A Pipofezine CN1CCN(CC1)c2cc3N(C)c4ccccc4Oc3nn2 Tox21_111953_1 -NCGC00090885-03 196698306 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -14.131297788 -0.5 -14.631297788 0.6 0.6499697828 0.0655511293 0.54170564 0.3775874 -3.55965115 -0.22959701 1.90790811 0.68834423 -1.9811413 -1.81028543 -2.84354786 -1.95598862 -3.47800661 -3.45027255 -3.80878358 -3.00252679 -10.52608149 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00262931-01 196698312 tox21-ror-cho-viability-p1 set1 4 10.5909294584 -13.467967208 2.5 -10.967967208 1.59358881 0.7391778937 0.0230802848 2.127494 2.24051601 3.85518826 2.94286707 -0.14328623 -2.14219896 0.07705713 7.10667051 5.88088428 0.9817328 2.20005782 -1.76196175 -1.93046063 -8.69873871 -9.55663934 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 137975-06-5 119369 170466304 A F Mozavaptan Cc1ccccc1C(=O)Nc2ccc(cc2)C(=O)N4CCCC(c3ccccc34)N(C)C Tox21_113926 -NCGC00161634-06 196698313 tox21-ror-cho-viability-p1 set1 4 0.41693156 -2.3483574 0.44199187 -0.15574222 0.5957027 -2.4382871 -0.48015924 -0.79378413 -1.71800342 -2.95179049 -2.99682438 -2.23940856 -0.67239616 -1.54392221 -0.39484542 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63968-64-9 5458876 170466204 A Artemisinin O=C4O[C@@H]3O[C@@]1(C)CC[C@H]2[C@H](C)CC[C@H](C23OO1)[C@H]4C Tox21_111750_1 -NCGC00183863-01 196698321 tox21-ror-cho-viability-p1 set1 4 1.35959055 -0.30440509 1.4541452 -1.69930856 3.31623558 -5.66606834 0.78927145 -3.11611323 0.89835886 -4.09380622 0.65766232 1.54975224 2.93721699 -4.50988181 -2.60865045 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25803-14-9 33176 144206860 A A Clometacine Clc1ccc(cc1)C(=O)c3c2ccc(cc2n(CC(=O)O)c3C)OC Tox21_113309 -NCGC00260087-01 196724078 tox21-ror-cho-viability-p1 set3 -3 69.8470682301 -113.893410367 -1.281746645 -115.175157012 4.9549173134 0.980868217 3.67E-8 -7.34349424 -0.62972226 -1.892338 -2.63954844 2.35299773 -1.93838529 3.72011595 2.10994294 -4.26334229 -3.8981719 -1.01797456 -4.71712104 -2.87441237 -3.73660907 -94.0973505 1.198E-9 2.6779999999E-9 5.988E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.485E-7 0.0000016739999999 0.000003742 0.000008368 0.00001871 0.00004184 0.000093559999999 11099-03-9 144209736 M M C.I. Solvent Black 5 Tox21_202538 -NCGC00093926-05 196723672 tox21-ror-cho-viability-p1 set3 4 0.1496008549 8.5614109839 -4.0614109839 4.5 4.0949729863 0.3117605504 0.3560893897 -0.73716915 -2.08253416 0.38554666 -0.08447227 0 -25.05117582 0 0 6.37263632 2.1984264 6.89752326 3.20902909 2.48900467 2.72022365 7.80525351 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3094-09-5 18343 170465861 A Doxifluridine FC1=CN(C(=O)NC1=O)[C@@H]2O[C@H](C)[C@@H](O)[C@H]2O Tox21_111231_1 -NCGC00163735-04 196723674 tox21-ror-cho-viability-p1 set3 4 2.4336516212 -10.4864529959 -1 -11.4864529959 4.9549173134 0.7040847428 0.0364209411 -0.11314455 -0.19984164 -5.01750036 -0.7332874 -3.03362778 -3.51631761 0.35696372 0.04783797 -2.82319897 2.52240521 -13.63419314 -5.62888567 -13.91750203 -16.23871083 -8.32504414 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00095179-05 196723679 tox21-ror-cho-viability-p1 set3 4 0.4730794415 14.2291650519 -3.2291650519 11 2.2526478767 0.5733036759 0.1167118965 3.42599638 -0.63811287 3.99147271 -13.41252279 -14.77430421 0 0 0 -2.97223817 12.54279266 12.09742929 11.54929489 7.6799682 6.79960702 13.05007788 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82626-48-0 5732 170465242 A Zolpidem CN(C)C(=O)Cc1c(nc2ccc(C)cn12)c3ccc(C)cc3 Tox21_111471_1 -NCGC00260172-01 196724079 tox21-ror-cho-viability-p1 set3 4 0.0024287027 14.189342556 -14.189342556 0 2.4063783767 0.5546522742 0.1324131621 -11.82445213 -6.85500335 -1.11865295 0.82262836 -1.41974109 -4.21824997 0.09443594 4.49424301 1.8710065 2.21669649 2.84200524 0.16977826 1.2546994 -8.16194472 -1.19418023 1.1779999999E-9 2.634E-9 5.891E-9 1.3169999999E-8 2.945E-8 6.586E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.0000036819999999 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009204 362043-46-7 10044526 144209822 A A 1-Decyl-3-methylimidazolium hexafluorophosphate F[P-](F)(F)(F)(F)F.C[n+]1ccn(CCCCCCCCCC)c1 Tox21_202624 -NCGC00178168-04 196722652 tox21-ror-cho-viability-p1 set3 4 2.9849294812 -9.821343724 -2 -11.821343724 0.8999999999 0.7093595511 0.0430278719 -3.01484059 -4.20659928 -1.23625033 -2.62736629 -3.08442499 0.28803445 -2.15311038 -0.63023946 -3.16363301 -4.17413563 -8.9261625 -4.04014124 -11.10111977 -9.65256889 -0.1077628 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 439-14-5 3016 170464626 A Diazepam Clc1ccc2c(c1)C(=NCC(=O)N2C)c3ccccc3 Tox21_113071_1 -NCGC00163919-02 196722648 tox21-ror-cho-viability-p1 set3 4 1.5715158041 -11.0029025959 -0.5 -11.5029025959 1.0999999999 0.8581978156 0.0027764112 -1.17134231 -1.53387311 0.0452542 0.08454491 -1.52589826 -1.15640183 -0.12752493 -0.08750868 -4.89424656 -8.42689839 -8.09628028 -5.98355969 -13.75241883 -11.15669423 -1.33223134 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00263567-01 196722661 tox21-ror-cho-viability-p1 set3 2.4 3.7578035763 28.2391734959 -1.7391734959 26.5 0.5 0.7803040161 0.0117085543 -0.99584729 -0.4643588 -2.07909299 0.68546623 1.63314832 -1.69590471 0.54468087 -3.53264458 5.71922314 13.10437935 16.32675216 8.9186415 13.57526719 11.58499497 26.24776722 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83881-52-1 55182 170465442 A Cetirizine dihydrochloride Cl.Cl.O=C(O)COCCN1CCN(CC1)C(c2ccc(Cl)cc2)c3ccccc3 Tox21_110704_1 -NCGC00159478-04 196723059 tox21-ror-cho-viability-p1 set3 -2.4 21.1316824289 -51.4591031608 1.952738932 -49.5063642288 3.1319983358 0.9775484841 0.9570105362 -69.03704267 -48.28880158 -45.6405497 -65.63635982 -29.86836997 -53.54411473 -15.72156302 -47.48066586 -3.08720118 0.92273131 -1.70625867 5.01324384 0.82241794 -21.21587907 -45.45936684 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 86-75-9 6855 170465534 A Benzoxiquine O=C(Oc1cccc2cccnc12)c3ccccc3 Tox21_111701_1 -NCGC00254486-01 196699010 tox21-ror-cho-viability-p1 set1 4 -4.70086068 -1.76074562 -1.7925639 -5.90194399 -2.48426726 -2.30908681 -3.9104171 0.42906341 -1.22251219 -0.65236027 -1.55853784 -8.06992414 -3.52138889 -5.02656527 -4.60229938 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3147-75-9 62485 144210816 A A Octrizole CC(C)(C)CC(C)(C)c1cc(c(O)cc1)n2nc3ccccc3n2 Tox21_300498 -NCGC00164385-05 196698597 tox21-ror-cho-viability-p1 set1 -3 29.8492948118 -64.99438485 -1.019042966 -66.013427816 4.9549173134 0.9743467298 1.99E-7 0.06601575 0.56729149 0.08233834 -0.31823065 0.31843502 -0.18187744 0.59590648 -2.25063959 0.05892556 0.21207798 -9.17672935 0.03670245 -2.2685144 -9.02480661 -59.59452318 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 911-45-5 2800 170464951 I Clomifene citrate CCN(CCOc1ccc(cc1)C(c2ccccc2)=C(Cl)c3ccccc3)CC Tox21_113110_1 -NCGC00253608-01 196698614 tox21-ror-cho-viability-p1 set1 4 2.31146625 -0.76751864 0.78133719 -0.21974537 -0.18352791 1.15986431 1.07657479 1.86161415 2.23772509 1.45157975 0.53328175 3.7889276 0.96931092 0.65589486 0.13875203 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2127-01-7 16473 170466039 A A Chlorexolone NS(=O)(=O)c1cc2C(=O)N(Cc2cc1Cl)C3CCCCC3 Tox21_113742 -NCGC00015416-05 196698616 tox21-ror-cho-viability-p1 set1 4 1.84382702 7.97067317 3.61255163 2.85597928 5.78704309 4.42128803 0.05761055 8.09962079 0.37125243 1.93635739 1.75153561 8.0644198 0.44486041 5.76661285 0.05732436 5.899E-12 1.319E-11 2.949E-11 6.595E-11 1.475E-10 3.2969999999E-10 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 67-42-5 6207 170466544 F Egtazic Acid O=C(O)CN(CC(=O)O)CCOCCOCCN(CC(=O)O)CC(=O)O Tox21_110141_1 -NCGC00091380-04 196699013 tox21-ror-cho-viability-p1 set1 4 -3.18555386 -2.78681717 0.72542801 -0.98828923 -2.00136779 -0.93109014 -1.24834169 -1.93875658 -2.78116767 1.54565791 -0.92819142 0.16205668 1.41422625 -0.47940583 1.07419427 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00254836-01 196699018 tox21-ror-cho-viability-p1 set1 4 -5.46236769 -4.90753644 -9.67518001 -7.1995308 -7.726791 -7.02880053 -7.68938184 -7.88138631 -3.76297102 -8.51785881 -4.84795278 -2.39767893 -0.02861464 -2.24839049 -3.05935128 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-74-4 249494 144211251 A A 3,7-Dimethyloctane-1,7-diol OCCC(C)CCCC(C)(C)O Tox21_300934 -NCGC00254873-01 196699027 tox21-ror-cho-viability-p1 set1 4 48.5577336745 -22.418144596 1.5 -20.918144596 3.0654483358 0.9757392845 1.464E-7 0.35276106 0.90576684 2.14810711 -0.71178695 1.54165342 2.21716399 1.61655927 1.55709518 1.1162439 1.44976891 1.32532081 1.09056618 1.62541997 -7.46063008 -17.84845383 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-79-8 5430 144211287 A A Thiabendazole n1c3ccccc3nc1c2cscn2 Tox21_300970 -NCGC00255050-01 196699435 tox21-ror-cho-viability-p1 set1 4 1.21470144 -2.71645075 -0.23167414 -5.72151924 -0.22550587 0.3444818 0.7032338 2.45488656 0.44812415 1.705365 0.81447699 -0.67942449 1.52850738 0.82482717 0.78198821 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-20-0 33 144211469 D Chloroacetaldehyde ClCC=O Tox21_301152 -NCGC00256716-01 196707593 tox21-ror-cho-viability-p1 set1 4 0.0076958822 -9.5157150921 -4.8830361679 -14.39875126 2.3331733767 0.4243423389 0.2659643923 -5.45394078 -4.90253014 -9.52192775 -10.07592412 -19.78901855 -10.06296076 -13.78258193 -12.97499683 -14.16096264 -21.16562605 -15.40754796 -18.83592603 -15.52261734 -5.1354569 -3.75711184 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4621-04-9 20739 144212771 A A 4-Isopropylcyclohexanol CC(C)C1CCC(O)CC1 Tox21_302454 -NCGC00257201-01 196707182 tox21-ror-cho-viability-p1 set1 4 61.130564862 12.0588277039 -0.0588277039 12 4.4494702849 0.4835950304 0.1945884319 1.04452233 1.24616138 0.11122387 -0.63418999 0.34901593 1.59776233 0.86011872 1.86679258 -7.13235642 -6.58918969 1.59391037 2.94519058 -0.46901407 1.80802904 10.43934438 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-37-6 7804 144213473 A Ac 1,4-Dibromobenzene Brc1ccc(Br)cc1 Tox21_303156 -NCGC00257031-01 196707190 tox21-ror-cho-viability-p1 set1 4 -5.17802063 -8.84946545 -6.24601016 1.45652077 -5.15765449 -9.9318182 -3.7322395 -16.91134347 -1.2842864 -17.89016309 -13.33917161 -1.20084689 -4.61222849 -3.57271054 -9.73491335 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-02-9 6796 144213505 A A Benzo(f)quinoline c2cc1ncccc1c3ccccc23 Tox21_303188 -NCGC00256565-01 196707589 tox21-ror-cho-viability-p1 set1 -1.1 5.4482673282 -89.788129515 2.8582615574 -86.9298679576 2.3331733767 0.9966411604 0.0206552834 -0.88175314 3.21315109 3.11650801 3.64840386 3.49488647 2.03121199 1.75174682 1.50333825 3.94942329 -1.00103203 -23.74476743 -55.56732918 -21.39108223 -88.88534556 -83.38346846 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-07-6 10793 144213126 F 1,3-Dichloropropanone ClCC(=O)CCl Tox21_302809 -NCGC00256967-01 196707605 tox21-ror-cho-viability-p1 set1 4 0.0385707789 -18.601356376 -0.341954544 -18.94331092 0.3 0.6355714978 0.0732054295 -1.53496212 -6.52400828 -9.31320719 -12.99342988 -5.39597104 -15.01495141 -9.58876019 -9.64821249 -10.42965909 -14.02507494 -13.37665023 -21.2027591 -18.47293617 -16.07921515 -15.93276175 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 311-45-5 9395 144213364 A A Paraoxon [O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1 Tox21_303047 -NCGC00256694-01 196707606 tox21-ror-cho-viability-p1 set1 4 6.1130564862 7.1472627839 -11.6873175359 -4.540054752 4.9549173134 0.5181604269 0.1631659468 -11.60819189 -3.24144218 -10.07861361 -12.58502563 -15.43916383 -15.98943128 -11.10028273 -10.89097646 -11.07486033 -14.60253452 -14.37864134 -4.10871746 -7.54667306 -3.85765303 -2.53337896 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 41394-05-2 38854 144212982 A A Metamitron O=C1C(=NN=C(C)N1N)c2ccccc2 Tox21_302665 -NCGC00257233-01 196708023 tox21-ror-cho-viability-p1 set1 4 5.4482673282 5.626993508 -3.626993508 2 4.9549173134 0.3576254248 0.3302927029 -6.77249459 -5.81459389 -6.48869384 0.57623619 2.90612331 1.52791113 -6.24534649 -4.60258603 -4.34341972 -6.34804873 -4.99724655 3.25942317 0.52386671 2.54374319 -5.26107818 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-80-1 445639 144213641 A Bc Oleic acid O=C(O)CCCCCCC/C=C\CCCCCCCC Tox21_303324 -NCGC00257090-01 196708025 tox21-ror-cho-viability-p1 set1 -2.4 24.3365162115 -30.2654216599 1 -29.2654216599 4.0949729863 0.9369147811 0.0000296299 1.32930688 2.68679369 1.75081308 0.5559692 -0.42938165 1.06452928 4.41877515 2.61366452 4.7834037 -0.36663557 -6.64525869 0.60352367 -6.96420518 -26.53024249 -28.55451805 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 518-82-1 3220 144213535 A A Emodin Cc3cc2C(=O)c1cc(O)cc(O)c1C(=O)c2c(O)c3 Tox21_303218 -NCGC00256526-01 196708029 tox21-ror-cho-viability-p1 set1 4 1.7228934059 8.346902848 0.653097152 9 0.5 0.4042833263 0.2693705441 -0.96650593 6.6348446 0.75450512 -4.87241904 6.18506818 0.67522493 -0.11963742 4.73195695 3.73410355 7.37997449 3.94751595 8.11791169 6.35043215 4.32955581 9.99223575 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 529-20-4 10722 144213329 Z C 2-Tolualdehyde Cc1ccccc1C=O Tox21_303012 -NCGC00258495-01 196730602 tox21-ror-cho-viability-p1 set3 4 -3.40825876 -0.97865844 -3.06260736 -4.01133731 -1.37264047 -0.8588147 -2.21649972 -4.4465868 1.92828995 -3.91540491 -2.87436141 -0.24424369 -2.53996941 -1.11287052 2.34168507 1.182E-9 2.6419999999E-9 5.909E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.386E-7 0.0000016519999999 0.000003693 0.000008258 0.00001846 0.00004129 0.000092319999999 71888-89-6 591200 144208139 A Ac 1,2-Benzenedicarboxylic acid, di-C6-8-branched alkyl esters, C7-rich CC(C)CCCCOC(=O)c1ccccc1C(=O)OCCCCC(C)C Tox21_200941 -NCGC00254385-01 196699164 tox21-ror-cho-viability-p1 set1 4 -1.16671445 2.59901687 -0.75997088 1.91039759 1.21545522 -0.9998054 1.61274521 -1.08441344 0.92329924 -0.41964695 2.75636947 2.05806201 2.66850599 0.06285882 2.67412845 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-92-2 31276 144210691 FNS 3-Methylbutyl acetate CC(=O)OCCC(C)C Tox21_300373 -NCGC00254964-01 196698759 tox21-ror-cho-viability-p1 set1 4 0.20916087 -0.82287844 -1.25198342 0.9866118 0.07559595 -1.20123087 4.21218523 1.27866318 0.85708846 -1.32747307 -1.08244956 0.12364845 2.7226785 -0.39964257 0.04967094 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10361-91-8 61510 144211379 Ytterbium(III) chloride Cl[Yb](Cl)Cl Tox21_301062 -NCGC00254864-01 196698764 tox21-ror-cho-viability-p1 set1 4 -0.63441558 -1.71038814 -1.01188992 -5.72532717 5.61182802 -0.03573879 -1.51074381 -1.35459896 0.88190725 -0.46869253 -2.23519498 0.70866522 -2.10578622 5.38781592 -1.04110494 1.0029999999E-10 2.2419999999E-10 5.014E-10 1.121E-9 2.507E-9 5.606E-9 1.2529999999E-8 2.8029999999E-8 6.267E-8 1.401E-7 3.134E-7 7.0069999999E-7 0.0000015669999999 0.000003504 0.000007834 107-31-3 7865 144211279 FNS Methyl formate O=COC Tox21_300962 -NCGC00254592-01 196698767 tox21-ror-cho-viability-p1 set1 -2.2 54.4272718766 -42.8271963088 1 -41.8271963088 3.1924983358 0.9811450629 3.39E-8 -0.08527482 4.61157344 1.29284636 0.09878581 -0.732751 1.00938937 1.90471058 -0.01411924 -0.6938402 2.12813707 1.87078822 0.78906814 -0.12217041 -11.46803595 -35.09636084 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 79983-71-4 66461 144211001 A A Hexaconazole OC(CCCC)(Cn1cncn1)c2ccc(Cl)cc2Cl Tox21_300684 -NCGC00254876-01 196699173 tox21-ror-cho-viability-p1 set1 4 -7.48119436 2.46848906 1.98307048 1.80459635 2.61427552 -9.33107499 0.9956072 0.62913788 -0.45640671 0.86798037 -0.3525132 -1.18173607 1.87514867 0.89129269 2.21132647 1.1379999999E-9 2.546E-9 5.692E-9 1.2729999999E-8 2.8459999999E-8 6.3639999999E-8 1.423E-7 3.182E-7 7.115E-7 0.0000015909999999 0.0000035579999999 0.000007955 0.000017789999999 0.00003978 0.00008894 122-70-3 31225 144211291 A A 2-Phenylethyl propionate CCC(=O)OCCc1ccccc1 Tox21_300974 -NCGC00254528-01 196699178 tox21-ror-cho-viability-p1 set1 4 -0.59555767 -1.82435621 -4.57432206 -2.16633097 0.04117406 -2.56493475 -4.26045173 -2.78861453 -2.22987839 -2.82355526 -0.3642123 -0.21439816 1.33830056 -3.16253132 -2.52952554 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27955-94-8 93118 144210720 A A 4,4',4"-Ethane-1,1,1-triyltriphenol CC(c1ccc(O)cc1)(c2ccc(O)cc2)c3ccc(O)cc3 Tox21_300402 -NCGC00254372-01 196699188 tox21-ror-cho-viability-p1 set1 4 2.77710219 -2.24085545 3.6006531 4.28929962 -2.20192509 5.83196812 -1.83546997 -2.06757259 6.03373755 3.97914117 -0.88444465 2.67415526 -2.17429457 4.50483154 3.11286304 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3056-17-5 18283 144210900 A A Stavudine CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@@H](CO)O2 Tox21_300583 -NCGC00254084-01 196699189 tox21-ror-cho-viability-p1 set1 4 0.58395428 0.04490125 0.77894781 0.56657737 7.60639479 0.58161371 1.14512183 2.02333838 5.96949089 4.05386361 1.16047431 1.59821386 5.1868648 2.01836695 3.2338211 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 118-52-5 8360 144210504 D Fns 1,3-Dichloro-5,5-dimethylhydantoin O=C1N(Cl)C(=O)N(Cl)C1(C)C Tox21_300184 -NCGC00254795-01 196699586 tox21-ror-cho-viability-p1 set1 4 61.130564862 12.80367106 -1.80367106 11 4.5044702849 0.6707609376 0.0532312391 -0.20163187 0.23675451 -0.63788793 -6.08639255 -3.2274909 0.25340763 -5.39294849 0.31722976 -1.43904131 -2.97520589 -1.1322941 0.04653187 -2.88218094 -0.04094638 9.29721397 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-37-7 7650 144211208 A Ac Benzyl butyrate CCCC(=O)OCc1ccccc1 Tox21_300891 -NCGC00091586-02 196700879 tox21-ror-cho-viability-p1 set1 4 -5.90133164 -2.82175588 -0.04220097 2.02409877 -0.94457627 -0.48589351 -1.07740095 0.46589245 -4.8721017 -5.62191519 -1.66146728 -0.46628936 -0.76766366 -7.1607897 -10.03014411 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00255967-01 196700858 tox21-ror-cho-viability-p1 set1 4 1.58739818 1.28666403 0.63396234 0.22739244 -0.55452664 0.56556873 0.45721636 1.60760154 2.04693241 2.1895398 3.72391021 -0.04378918 0.38275069 6.465627 1.44230684 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 590-46-5 11545 144212459 A Betaine hydrochloride [Cl-].C[N+](C)(C)CC(=O)O Tox21_302142 -NCGC00255949-01 196700865 tox21-ror-cho-viability-p1 set1 4 1.35795786 1.70944516 2.44022232 0.67724235 6.10888882 0.59109081 0.33755422 4.92716116 -0.05097798 0.78868609 3.08338797 0.05951253 0.56510335 3.49664975 6.50934406 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2654-57-1 98282 144212359 B C 4-Methyl-1-phenylpyrazolidin-3-one O=C1NN(CC1C)c2ccccc2 Tox21_302042 -NCGC00256122-01 196700876 tox21-ror-cho-viability-p1 set1 4 19.3311819617 -7.938416708 -0.5 -8.438416708 4.9549173134 0.4819349245 0.1959917591 -4.76012674 -2.24611983 7.13435199 3.79611865 -4.10889027 0.55050838 1.07496518 -2.56753013 -0.32209902 -0.28678183 -2.00852482 0.34783079 -3.7039839 -7.79940657 -8.69868059 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68928-76-7 60196425 144212107 F Fns Bis[(2-ethyl-2,5-dimethylhexanoyl)oxy](dimethyl)stannane C[Sn](C)(OC(=O)C(C)(CC)CCC(C)C)OC(=O)C(C)(CC)CCC(C)C Tox21_301790 -NCGC00016747-07 196717982 tox21-ror-cho-viability-p1 set2 -2.4 14.9600854925 -32.610165216 -1 -33.610165216 0.6 0.8719675152 0.0010791426 2.30690053 -0.17878258 -3.97202375 -5.23669889 1.77233823 -4.99811555 2.48784421 -2.25841909 -6.23622507 -4.23472116 -8.73033882 -12.18681851 -15.56643242 -15.19792818 -24.67513768 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35898-87-4 3074 170465831 A Dilazep COc1cc(cc(OC)c1OC)C(=O)OCCCN3CCCN(CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)CC3 Tox21_110588_1 -NCGC00015655-09 196717964 tox21-ror-cho-viability-p1 set2 4 -0.3695557 0.6269564 0.28013855 0.20005907 -0.08604919 -3.57597835 1.83397138 -1.26814266 -4.07762024 -2.7651893 -3.10641905 -1.0275372 -0.63159829 -4.87500107 -1.00951471 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5874-97-5 441333 170466142 Z Orciprenaline sulfate Oc1cc(cc(O)c1)C(O)CNC(C)C.O=S(=O)(O)O.CC(C)NCC(O)c1cc(O)cc(O)c1 Tox21_110551_1 -NCGC00161414-03 196717968 tox21-ror-cho-viability-p1 set2 4 -1.80225109 1.37029031 0.76986276 -3.79931657 1.10987167 -4.63285733 -2.24480858 1.97639206 -3.11114789 -3.87056899 -0.43567088 -0.70897862 -0.84779607 -2.38607555 -1.56951555 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 89565-68-4 656665 170466432 A Tropisetron CN4[C@H]1CC[C@@H]4CC(C1)OC(=O)c3cnc2ccccc23 Tox21_110272_1 -NCGC00165862-02 196717978 tox21-ror-cho-viability-p1 set2 4 -0.50403687 -0.65142184 -0.0874851 1.27155464 4.25293322 2.62697425 2.96673665 2.53147201 2.78272822 2.20692375 1.09200981 4.03981962 5.03159873 2.09219366 1.11807365 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 40391-99-9 4674 170464689 F Pamidronic acid OC(CCN)(P(O)(=O)O)P(=O)(O)O Tox21_111664_1 -NCGC00015500-19 196717983 tox21-ror-cho-viability-p1 set2 4 1.14612994 -0.35802501 0.62220033 -7.91262032 -1.17627118 -21.02441415 -5.34004538 -0.07275367 0.22168691 0.46647018 0.85224671 -0.93704667 0.72363587 0.71594119 1.23575107 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52-86-8 3559 170464841 A Haloperidol Fc1ccc(cc1)C(=O)CCCN2CCC(O)(CC2)c3ccc(Cl)cc3 Tox21_110162_1 -NCGC00256767-01 196718383 tox21-ror-cho-viability-p1 set2 -2.1 61.3171122755 -84.113772873 1.806884659 -82.306888214 2.9522712143 0.9922741727 2E-10 3.81987446 0.40881891 1.65771479 1.51847491 3.20122433 2.83975659 1.42419143 -1.41391471 3.46936505 1.68572891 1.10684442 -1.28166803 0.27599084 -18.24702768 -63.11127895 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9569999999E-8 6.613E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003697 0.000008266 0.00001848 0.00004133 0.000092409999999 124-03-8 31280 144212931 A A Ethylhexadecyldimethylammonium bromide [Br-].C[N+](C)(CCCCCCCCCCCCCCCC)CC Tox21_302614 -NCGC00256617-01 196718384 tox21-ror-cho-viability-p1 set2 4 -0.24128825 0.03976449 -3.73271178 0.88984536 -0.40407147 -0.46205893 -2.79792677 -2.24716813 -2.85211962 -1.48193617 -0.17172097 1.69834494 -1.58199107 -1.71367088 0.03622919 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-87-9 7895 144213333 Fns 2-Pentanone CC(=O)CCC Tox21_303016 -NCGC00256608-01 196718391 tox21-ror-cho-viability-p1 set2 -2.4 61.130564862 -28.833043856 0.5 -28.333043856 2.6384283767 0.8672310414 0.0012855415 -0.0518512 -0.74999333 -0.41727711 -0.58565378 -1.44126986 2.52080411 0.30274249 0.83057991 0.44927869 3.73514314 6.45060886 -0.29820012 -3.96377456 -5.72838843 -21.11086988 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 612-83-9 11933 144213211 A A 3,3'-Dichlorobenzidine dihydrochloride Cl.Cl.Nc1ccc(cc1Cl)c2ccc(N)c(Cl)c2 Tox21_302894 -NCGC00016526-07 196725483 tox21-ror-cho-viability-p1 set3 4 33.4914596268 23.4113198279 -3.9113198279 19.5 4.9549173134 0.7593864084 0.0168843492 -2.57206538 -10.75943319 -1.99856979 -2.33312507 -5.53752591 -0.5221988 -5.60625288 -3.86386287 1.20727864 -2.86943607 -4.75663865 -2.87532414 -3.10287883 -4.24726882 15.59445212 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 633-65-8 12456 170465752 A Berberine [Cl-].COc2ccc1cc3c4cc5OCOc5cc4CC[n+]3cc1c2OC Tox21_110474_1 -NCGC00182998-01 196725072 tox21-ror-cho-viability-p1 set3 4 5.48091876 1.65049651 -0.35912959 -0.25702464 6.3807348 0.37389459 2.75852103 -0.35941132 -2.12350301 14.95301983 -0.05264385 1.78526402 -0.01999236 10.6835022 14.15446669 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14008-48-1 26391 144206872 A A Bisoxatin acetate CC(=O)Oc1ccc(cc1)C2(Oc3ccccc3NC2=O)c4ccc(OC(C)=O)cc4 Tox21_113321 -NCGC00015647-18 196725073 tox21-ror-cho-viability-p1 set3 4 33.4914596268 -23.9729178 -2.5 -26.4729178 0.7999999999 0.5738226551 0.1167412819 -1.51024021 -5.5985025 2.56400143 -0.61823972 -0.79148862 -1.90834339 -0.36268308 -6.80308175 -11.68334333 -8.15896978 -0.76948169 -4.58727188 -6.7671174 -11.03034545 -18.7274315 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 31430-18-9 4122 170466087 A Nocodazole O=C(c1cc2nc(NC(=O)OC)nc2cc1)c3cccs3 Tox21_110189_1 -NCGC00179332-03 196725079 tox21-ror-cho-viability-p1 set3 4 -4.52783229 -1.14401558 14.40747492 6.72516996 1.12703428 19.54510398 0 -0.26029894 -3.50341889 -3.96301233 1.43208621 3.21361278 8.79193783 13.69085997 9.1860253 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 65473-14-5 5281098 170464903 A Naftifine hydrochloride Cl.CN(C\C=C\c1ccccc1)Cc3cccc2ccccc23 Tox21_110677_1 -NCGC00165864-04 196725898 tox21-ror-cho-viability-p1 set3 4 -6.83354929 -7.70691549 -1.67237099 -4.96736531 -7.34872708 -4.98486914 2.84888854 -6.78122401 -1.4850422 -0.38211777 0.26687812 -7.80232884 -7.20956669 -6.01398207 -6.09350258 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2448-68-2 11705034 170465949 A Pipamperone dihydrochloride Cl.Cl.Fc1ccc(cc1)C(=O)CCCN2CCC(CC2)(C(N)=O)N3CCCCC3 Tox21_112266_1 -NCGC00018172-09 196725498 tox21-ror-cho-viability-p1 set3 4 0.38712624 0.65529979 3.23509637 6.13620904 5.27637914 0.8961286 13.03341115 -5.63647752 0.67512859 6.82011497 6.03325233 -3.30864345 -6.55482266 8.35742007 -7.00181007 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26807-65-8 3702 170465366 A Indapamide NS(=O)(=O)c1cc(ccc1Cl)C(=O)NN2c3ccccc3CC2C Tox21_110775_1 -NCGC00253735-01 196725890 tox21-ror-cho-viability-p1 set3 4 0.29272009 2.44946902 1.12298845 -1.18346166 2.46829658 -0.47185738 0.34705534 -9.8327972 0.37534531 2.48304869 0.25790214 2.13895272 -1.00163488 4.87048485 2.38156993 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 30709-69-4 65773 170466183 A A Tizoprolic acid CCCc1ncc(s1)C(=O)O Tox21_113854 -NCGC00241104-02 196725897 tox21-ror-cho-viability-p1 set3 4 -6.80964459 -11.68262897 -7.41624841 -6.76279622 -2.38655692 -3.31456814 -5.9491175 -7.10198223 2.81433974 -1.25986792 -0.02909851 -7.13249596 3.11009473 -7.16023747 -2.22636829 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 285983-48-4 156422 170466618 A Doramapimod CC(C)(C)c4cc(NC(=O)Nc3ccc(OCCN1CCOCC1)c2ccccc23)n(n4)c5ccc(C)cc5 Tox21_113386_1 -NCGC00178864-03 196725903 tox21-ror-cho-viability-p1 set3 4 9.4391758155 20.102497452 3.397502548 23.5 0.4 0.3319449945 0.3369904957 6.00644592 8.28645773 -5.50208121 0.17027917 5.50892794 14.99560019 8.73290472 13.44855248 4.968817 0.18908411 3.08286465 18.7161926 15.38496033 17.96677816 13.76465234 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1070-11-7 14051 170465115 Z Ethambutol dihydrochloride Cl.Cl.CC[C@@H](CO)NCCN[C@H](CO)CC Tox21_110494_1 -NCGC00181306-04 196725904 tox21-ror-cho-viability-p1 set3 4 5.58551792 0.80911741 7.50847666 0.62157704 -1.44308563 -1.65352466 -1.22552181 -0.50823864 1.84129263 8.47365353 1.08052593 0.04785631 0.35337681 1.17482922 0.5534263 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 114977-28-5 148124 170464919 I Docetaxel CC(C)(C)OC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]5C[C@@]6(O)[C@@H](OC(=O)c2ccccc2)[C@H]4[C@@](C)([C@@H](O)C[C@H]3OC[C@]34OC(C)=O)C(=O)[C@H](O)C(=C5C)C6(C)C Tox21_112781_1 -NCGC00016372-07 196725911 tox21-ror-cho-viability-p1 set3 4 0.0084126743 20.0085355 -7.5085355 12.5 0.3 0.5302872566 0.1685081987 -1.67971032 -4.59044625 3.16826168 2.60968986 7.5293872 7.9097353 0.09143179 9.28891098 8.83851135 6.47411803 0.86415144 14.89049218 10.34669038 12.34337597 3.87347168 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 121-19-7 5104 170465666 A 4-Hydroxy-3-nitrophenylarsonic acid O=[N+]([O-])c1cc(ccc1O)[As](O)(O)=O Tox21_110402_1 -NCGC00018242-07 196726318 tox21-ror-cho-viability-p1 set3 -2.4 29.8492948118 -31.7088404199 0 -31.7088404199 1.752947691 0.8703428273 0.0011479152 6.91020874 0.87459416 0.27776868 1.3963045 -1.22675349 -0.92315645 -0.13802605 -2.43294112 -0.90051062 -0.8924958 -2.90029045 -0.8977276 -6.04113719 -8.77824409 -23.09070035 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 144-80-9 5320 170464944 A Sulfacetamide Nc1ccc(cc1)S(=O)(=O)NC(C)=O Tox21_110846_1 -NCGC00258719-01 196730001 tox21-ror-cho-viability-p1 set3 4 -4.33932332 -8.0636066 -3.07976402 -5.87486128 -2.0212666 -3.17371997 -0.53569069 -3.09295209 -3.81358107 -0.73448778 0.09412964 -1.86838768 0.54493238 -1.14704979 -4.10324704 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041229999999 0.00009218 495-48-7 10316 144208365 Ac Ac Azoxybenzene [O-]/[N+](=N/c1ccccc1)c2ccccc2 Tox21_201167 -NCGC00258783-01 196729581 tox21-ror-cho-viability-p1 set3 4 1.74411388 0.43418605 -1.46521309 -2.05276017 -0.28290067 1.87554229 0.85880615 -0.24516514 1.03770392 -1.41046675 0.94300013 -2.63242796 1.53059299 1.15076645 -1.8737133 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.952E-8 6.6E-8 1.476E-7 3.3E-7 7.379E-7 0.0000016499999999 0.00000369 0.0000082499999999 0.000018449999999 0.00004125 0.000092239999999 3131-60-0 65114 144208429 A A 6-Azacytidine O=C2N=C(N)C=NN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Tox21_201231 -NCGC00258174-01 196729979 tox21-ror-cho-viability-p1 set3 4 6.9357609116 4.313182296 0.686817704 5 3.9899729863 0.5077287272 0.1750046858 1.05903629 -0.4489292 1.32450336 1.15121633 -1.435243 3.39066614 -0.94784675 2.1709894 1.04435968 -2.34431858 1.00940357 3.16968932 9.16623035 3.27583527 3.25252181 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.3289999999E-7 7.445E-7 0.000001665 0.0000037219999999 0.000008324 0.00001861 0.00004162 0.00009306 367-25-9 9709 144207818 A A 2,4-Difluoroaniline Fc1ccc(N)c(F)c1 Tox21_200620 -NCGC00258275-01 196729980 tox21-ror-cho-viability-p1 set3 4 0.23867134 0.45466056 1.32746776 2.62082792 2.45536184 0.01862433 0.14147347 3.91805697 1.99644285 3.90990275 3.37377167 1.57982032 2.06108417 0.72491146 1.01484046 1.166E-9 2.6069999999E-9 5.83E-9 1.304E-8 2.9149999999E-8 6.518E-8 1.457E-7 3.259E-7 7.287E-7 0.000001629 0.0000036439999999 0.000008147 0.00001822 0.00004074 0.00009109 207-08-9 9158 144207919 A A Benzo(k)fluoranthene c3c5c1cccc2cccc(c12)c5cc4ccccc34 Tox21_200721 -NCGC00258085-01 196729986 tox21-ror-cho-viability-p1 set3 4 3.0312729 -4.93351406 -4.05246003 -2.02166694 -2.52148104 -4.40270957 -0.33081422 -0.11209979 -2.80434315 -0.22442788 -2.56086784 -1.29773412 0.54545109 1.18436622 1.43917786 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.486E-7 3.3239999999E-7 7.4319999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.0000929 505-48-6 10457 144207729 A A Octanedioic acid O=C(O)CCCCCCC(=O)O Tox21_200531 -NCGC00258278-01 196729998 tox21-ror-cho-viability-p1 set3 4 55.2037439078 -8.423083888 2.5 -5.923083888 3.9899729863 0.4666638916 0.2122091343 0.09003828 0.29712519 2.67486102 0.2386461 4.07234305 -0.02241199 1.86709829 3.42174346 8.16246649 2.36711945 2.87471147 2.9804364 4.53049088 0.52335368 -4.93590324 1.193E-9 2.6679999999E-9 5.9659999999E-9 1.3339999999E-8 2.9829999999E-8 6.67E-8 1.491E-7 3.335E-7 7.457E-7 0.000001668 0.0000037289999999 0.0000083379999999 0.00001864 0.000041689999999 0.000093219999999 67-72-1 6214 144207922 Hexachloroethane ClC(Cl)(Cl)C(Cl)(Cl)Cl Tox21_200724 -NCGC00257783-01 196730400 tox21-ror-cho-viability-p1 set3 4 0.46971636 10.41634733 3.38926624 0.67035441 1.16280177 0.13575043 1.56747915 1.45128345 2.78681877 1.48001571 -1.94097874 2.18109853 1.33408909 2.62092202 2.43110706 1.1679999999E-9 2.612E-9 5.8409999999E-9 1.3059999999E-8 2.92E-8 6.53E-8 1.4599999999E-7 3.265E-7 7.3009999999E-7 0.0000016329999999 0.0000036509999999 0.000008163 0.00001825 0.00004081 0.00009126 3054-95-3 62477 144207427 FNS Acrolein diethylacetal C=CC(OCC)OCC Tox21_200229 -NCGC00256959-01 196707372 tox21-ror-cho-viability-p1 set1 4 6.1068403463 -10.938611552 -0.5 -11.438611552 4.9549173134 0.7092761639 0.0342339473 0.37894267 2.4076681 -2.40503156 1.04328246 -8.24738246 -1.60437395 -1.24883953 0.70298806 1.33904982 -0.76377109 1.681109 -10.89897847 -9.99761802 -7.49670482 -14.94884296 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 960-71-4 70400 144213530 F F Triphenylborane c1ccccc1B(c2ccccc2)c3ccccc3 Tox21_303213 -NCGC00258196-01 196729567 tox21-ror-cho-viability-p1 set3 4 2.1822355519 -12.8127813 -1.5 -14.3127813 4.9549173134 0.6329104973 0.074551432 1.82882161 -1.25870925 0.22911144 -3.44951426 -3.36217707 1.72640146 -4.11936562 -3.34238491 -4.36825139 1.39872517 -23.17731775 -20.80820277 -8.51927009 -6.31296926 -14.53706238 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003707 0.0000082899999999 0.00001854 0.00004145 0.00009269 2303-16-4 28700 144207840 A A Diallate ClC=C(Cl)CSC(=O)N(C(C)C)C(C)C Tox21_200642 -NCGC00259463-01 196706958 tox21-ror-cho-viability-p1 set1 4 78.8409383265 23.0333748919 -5.0333748919 18 4.9549173134 0.5435121048 0.1410691052 -0.88349896 -6.38240437 -9.92875511 -8.59809266 -9.36424927 -2.10364582 0.28674976 -1.87605542 -2.10995494 -11.27781241 0.72095135 -7.69927866 -3.37057312 -5.87343673 11.75448577 1.204E-9 2.6909999999E-9 6.018E-9 1.346E-8 3.009E-8 6.729E-8 1.5049999999E-7 3.3639999999E-7 7.523E-7 0.000001682 0.000003761 0.000008411 0.000018809999999 0.000042049999999 0.00009404 97-90-5 7355 144209112 A A Ethylene glycol dimethacrylate O=C(OCCOC(=O)C(=C)C)C(=C)C Tox21_201914 -NCGC00259847-01 196706961 tox21-ror-cho-viability-p1 set1 4 3.33044196 4.41037682 -0.05764486 6.14904424 4.50691045 0.30733218 -1.1630782 -0.88381371 7.50176842 12.07264078 -0.65045125 1.19897025 1.42720706 3.64229409 1.30789272 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.593E-8 1.474E-7 3.297E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009214 94-60-0 7198 144209496 I A Dimethyl hexahydroterephthalate COC(=O)C1CCC(CC1)C(=O)OC Tox21_202298 -NCGC00257416-01 196707355 tox21-ror-cho-viability-p1 set1 4 -2.48445355 3.77156475 1.88563924 4.3699237 0.52713244 2.41114964 3.54418604 0.61019778 2.7458941 3.52435369 -0.16045283 3.03295394 3.79321438 -2.24340161 1.64964372 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-62-3 31218 144213749 A Fns Bis(2-ethylhexyl) decanedioate O=C(CCCCCCCCC(=O)OCC(CC)CCCC)OCC(CCCC)CC Tox21_303439 -NCGC00257141-01 196707366 tox21-ror-cho-viability-p1 set1 4 0.63925733 0.69060635 3.49053387 4.13517064 0.21627156 1.85711097 9.27537905 2.89196598 7.83990729 -3.25154913 4.36030884 5.94572258 -0.04586514 1.86799353 9.78201403 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 97-65-4 811 144213388 Ac A Methylenebutanedioic acid O=C(O)C(=C)CC(=O)O Tox21_303071 -NCGC00163939-02 196705301 tox21-ror-cho-viability-p1 set1 4 -0.16038498 -3.45798277 -0.08394234 -1.75531378 0.34763956 -3.69832979 -0.91077676 -3.83525738 0.02610937 -1.43428743 -5.62427112 -4.32330894 -4.07182568 -1.07031352 -4.95003494 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 28772-56-7 54680085 170465749 A Bromadiolone Brc1ccc(cc1)c2ccc(cc2)C(O)CC(C3=C(O)c4ccccc4OC3=O)c5ccccc5 Tox21_112561_1 -NCGC00093926-05 196704896 tox21-ror-cho-viability-p1 set1 4 -3.07173478 1.30616294 0.38232554 -1.70509345 0.84280736 -0.23505581 -0.13066096 5.63995973 -3.50894493 -0.41674826 3.06371542 0.20439416 0.97813934 0.44956565 4.42182699 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3094-09-5 18343 170465861 A Doxifluridine FC1=CN(C(=O)NC1=O)[C@@H]2O[C@H](C)[C@@H](O)[C@H]2O Tox21_111231_1 -NCGC00160667-03 196704904 tox21-ror-cho-viability-p1 set1 4 18.8336317891 -16.5571379639 1 -15.5571379639 2.4063783767 0.6076125576 0.1063983042 1.10560909 0.52557122 4.9631419 -1.71529806 0.29690571 1.72925124 1.22699968 0.21280195 0.28754581 1.38028563 0.23946888 -0.29307617 4.4218555 -11.29761497 2.37342677 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-19-9 7181 170466284 A Sulfaethidole O=S(=O)(Nc1nnc(CC)s1)c2ccc(N)cc2 Tox21_111971_1 -NCGC00016479-11 196704907 tox21-ror-cho-viability-p1 set1 4 -0.95323027 -1.27429424 -1.84929367 -1.09271676 0.5834139 -0.33582609 -0.82781347 -0.51908597 0.56682366 -3.75697633 0.79288282 1.46156113 -0.16467967 0.47456263 5.50418641 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 519-37-9 1892 170466156 A Etofylline O=C2c1n(cnc1N(C)C(=O)N2C)CCO Tox21_110447_1 -NCGC00091019-08 196705311 tox21-ror-cho-viability-p1 set1 4 -1.72854939 1.03082192 6.93007761 -3.61486898 7.93500132 -0.00072872 7.42300371 8.4027092 1.71711294 8.65565627 1.71671534 8.73872302 2.48798501 7.44688587 10.36830356 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 378-44-9 9782 170465027 A Dexamethasone OCC(=O)[C@@]4(O)[C@@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_112115_1 -NCGC00094719-08 196705317 tox21-ror-cho-viability-p1 set1 4 0.0188336318 16.202890292 -13.202890292 3 0.2 0.7298433722 0.0266515616 -9.33574191 -8.91271673 -5.69242305 -2.70124299 -5.39619697 -3.79209118 -4.94304689 -5.1879189 -1.15450302 -3.59397213 -4.03416291 1.61403348 -1.00326391 0.03304501 0.86736938 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 100-97-0 4101 170465468 Z Methenamine C1N3CN2CN(CN1C2)C3 Tox21_113455_1 -NCGC00167465-02 196705321 tox21-ror-cho-viability-p1 set1 4 23.7101376556 -21.899957324 1 -20.899957324 3.5117481694 0.8909086462 0.0004996762 -0.14227218 -0.96801305 0.60108233 0.46292469 1.01639168 0.12662752 3.24771424 0.61734808 3.13262504 -0.30310799 0.43145422 1.81810057 6.01645424 -8.03065386 -19.08329777 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112965-21-6 5288783 170464710 F Calcipotriene C=C1C(/C[C@@H](O)C[C@@H]1O)=C\C=C2/CCC[C@]3(C)[C@H](CC[C@@H]23)[C@H](C)/C=C/[C@@H](O)C4CC4 Tox21_112469_1 -NCGC00259515-01 196705722 tox21-ror-cho-viability-p1 set1 4 0.233102 9.95304295 0.9104709 5.94902142 -1.51923346 1.61265382 2.39822012 1.69514757 0.60313686 8.10199012 -0.11215967 5.09845976 1.33751332 0.08192843 -0.33812453 1.195E-9 2.6729999999E-9 5.9769999999E-9 1.337E-8 2.989E-8 6.683E-8 1.494E-7 3.341E-7 7.4719999999E-7 0.000001671 0.000003736 0.0000083539999999 0.000018679999999 0.00004177 0.0000934 108-99-6 7970 144209164 Fns 3-Methylpyridine Cc1cccnc1 Tox21_201966 -NCGC00016855-10 196726377 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -48.317527893 2.5928264605 -45.7247014325 4.9549173134 0.8819517296 0.0007287615 -4.26191529 -1.93546618 -3.74855644 -0.58586363 3.57683655 4.81262602 1.0623463 7.62531188 8.03357498 4.06735671 2.36432469 5.02810957 1.58710872 3.37543361 -40.10989581 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 43210-67-9 3334 170465647 A Fenbendazole O=C(OC)Nc1nc2cc(ccc2n1)Sc3ccccc3 Tox21_110649_1 -NCGC00015243-10 196726378 tox21-ror-cho-viability-p1 set3 4 4.03084044 2.92349034 -6.81273994 -7.72888633 2.81907847 9.70867836 3.05176808 6.84392491 2.09736206 5.10061728 5.06467504 2.51421384 -1.27284562 -3.77980555 15.16687659 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1163-36-6 5309446 170465924 A Clemizole hydrochloride Cl.Clc1ccc(cc1)Cn3c4ccccc4nc3CN2CCCC2 Tox21_110108_1 -NCGC00256579-01 196726776 tox21-ror-cho-viability-p1 set3 4 23.48251465 10.46608215 1.14570215 5.28593402 0.19854823 2.64070071 -0.62894206 -1.30337515 0.59125997 -1.26857172 -10.25186021 18.9632994 6.91531686 13.52754093 6.38090089 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 756-79-6 12958 144213346 A Dimethyl methylphosphonate CP(=O)(OC)OC Tox21_303029 -NCGC00091775-03 196724367 tox21-ror-cho-viability-p1 set3 4 61.130564862 -28.89120594 3.5 -25.39120594 1.713743691 0.6328766679 0.0746452812 -4.99166339 -0.6166681 3.3549712 1.13405493 7.89385676 4.60746069 4.85153974 10.42817086 4.47255284 8.49008299 3.92001431 -3.42727991 -1.5210227 -2.54183546 -17.82600495 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00260247-01 196724376 tox21-ror-cho-viability-p1 set3 4 -4.2438148 3.54938016 6.46456524 2.37468219 -2.04225178 2.55975541 -4.99522463 -9.68696627 1.60476481 -4.56545128 -4.24736994 2.07595621 1.35488668 0.96914887 1.3901168 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.593E-8 1.474E-7 3.297E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009214 7324-00-7 21917397 144209897 A A 1-Hexylpyridinium iodide [I-].CCCCCC[n+]1ccccc1 Tox21_202699 -NCGC00260196-01 196724377 tox21-ror-cho-viability-p1 set3 -2.1 24.3860225971 -106.9738517339 -1.5342294651 -108.508081199 1.8079476909 0.9879352088 2.5E-9 -2.73983702 0.52294309 -8.46633724 0.86382774 -9.38308598 -0.7659923 -1.81157424 -1.02096404 0.29983127 1.25023138 -0.78605155 -16.67534223 -42.87181357 -76.59214146 -101.03173296 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.305E-7 7.3889999999E-7 0.0000016519999999 0.0000036949999999 0.000008262 0.000018469999999 0.00004131 0.00009237 404001-50-9 60196375 144209846 A A 1-Hexadecyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C[n+]1ccn(CCCCCCCCCCCCCCCC)c1 Tox21_202648 -NCGC00244580-01 196711262 tox21-ror-cho-viability-p1 set2 4 61.130564862 -17.01806798 4 -13.01806798 3.6272481694 0.6389980649 0.0712317604 1.58794195 0.54444701 0.06614569 8.58564614 2.25520683 3.98666973 6.61117558 9.33635311 6.08051658 5.26883235 2.37141948 1.95991036 2.99565695 0.79392499 -10.01505665 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00260547-01 196712062 tox21-ror-cho-viability-p1 set2 4 6.59197534 4.8760108 3.20246035 5.15057441 3.82878773 9.62199362 9.24311466 12.61292308 8.21307817 8.49197666 8.77194799 7.71644205 7.94736962 7.09649207 -0.2953645 6.058E-11 1.3549999999E-10 3.0289999999E-10 6.773E-10 1.514E-9 3.386E-9 7.572E-9 1.693E-8 3.7859999999E-8 8.4659999999E-8 1.8929999999E-7 4.233E-7 9.465E-7 0.000002117 0.0000047329999999 86-88-4 736366 144210200 A A 1-(1-Naphthyl)-2-thiourea NC(=S)Nc2cccc1ccccc12 Tox21_203002 -NCGC00260440-01 196712068 tox21-ror-cho-viability-p1 set2 2.4 68.938530308 18.750828936 1.249171064 20 3.9899729863 0.8969872123 0.0003812038 -0.01278758 1.86511743 3.76658096 1.0285213 -0.62569078 1.41905187 -0.0773914 3.17732778 0.3402935 0.98502828 -0.34249004 2.21116865 0.59134473 3.38148232 15.48903285 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.962E-8 6.622E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 480-22-8 10187 144210092 F F 1,8,9-Trihydroxyanthracene Oc2c3c(cc1cccc(O)c12)cccc3O Tox21_202894 -NCGC00260032-01 196711275 tox21-ror-cho-viability-p1 set2 4 -0.46696207 -2.0755497 -3.46077706 -8.40599192 -5.52099376 -9.31356064 -18.53101375 0 0 -17.27821106 -3.18348744 -11.63861617 -3.90837207 -2.22765426 -17.24373431 6.02E-10 1.346E-9 3.01E-9 6.731E-9 1.505E-8 3.365E-8 7.5249999999E-8 1.683E-7 3.763E-7 8.413E-7 0.0000018809999999 0.000004207 0.000009406 0.00002103 0.00004703 25316-40-9 443939 144209681 A A Adriamycin hydrochloride Cl.OCC(=O)[C@@]4(O)C[C@H](O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1)c5c(O)c3C(=O)c2c(OC)cccc2C(=O)c3c(O)c5C4 Tox21_202483 -NCGC00357172-01 196711264 tox21-ror-cho-viability-p1 set2 2.4 61.130564862 25.176874712 0.823125288 26 2.5334283767 0.8976643714 0.0003652204 -1.67731908 -1.81406226 -1.29927552 0.0249634 -0.61280358 3.35569883 1.53560999 2.25234378 0.84636128 3.55789966 1.68856037 1.79627507 2.88210594 7.09437989 19.49932766 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_52866 40463 251919739 Fns cis-Permethrin in cyclohexane Cl/C(Cl)=C/[C@H]3[C@@H](C(=O)OCc2cccc(Oc1ccccc1)c2)C3(C)C Tox21_303933 -NCGC00163953-03 196711274 tox21-ror-cho-viability-p1 set2 -1.2 2.2997761602 -23.6683847116 -1.010003872 -24.6783885836 1.34431 0.7437034399 0.0275477579 -0.63158843 -0.00833656 -0.58649288 -1.10527304 -0.55117602 -0.35270829 -0.38234519 -3.9918292 -12.73202311 -4.98741696 -12.70948112 -26.40878868 -34.14093879 -12.51572951 -13.30579671 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.000019359999999 0.00004328 0.000096779999999 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00357041-01 196711279 tox21-ror-cho-viability-p1 set2 4 38.5707788719 -23.454842688 -3 -26.454842688 1.826479391 0.5815614319 0.1104693386 -1.30677515 -0.14099587 -5.94971326 -5.87783048 -7.87822123 0.71566724 -11.12482838 0.17126713 1.53805355 -0.98520176 -0.24731722 -13.76307191 0 -19.52910508 -22.04570224 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2680-03-7 17587 251919893 A N,N-Dimethylacrylamide CN(C)C(=O)C=C Tox21_303732 -NCGC00357025-01 196711676 tox21-ror-cho-viability-p1 set2 -2.2 61.130564862 -47.3988544736 -4.214274258 -51.6131287316 3.5117481694 0.7971633416 0.0084257429 -5.6184785 -3.36605251 -0.85849555 -4.78892986 -2.46458566 -1.80663022 -0.86107556 -14.57727026 -2.90648274 -8.82116191 -15.70932856 0 0.01158445 -15.02594367 -42.13115813 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16484-77-8 185588 251919712 A Mecoprop-P Clc1cc(C)c(O[C@H](C)C(=O)O)cc1 Tox21_303709 -NCGC00260109-01 196711686 tox21-ror-cho-viability-p1 set2 2.4 61.25491928 32.224702592 1.775297408 34 1.21 0.810713848 0.0063202091 0.21280096 1.2341526 2.31942321 0.07420055 -0.06825593 0.35473305 -0.18725216 1.38684093 6.83994985 9.07289945 2.56578157 4.00382089 4.23554417 11.41864812 26.25561619 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.61E-8 1.4779999999E-7 3.305E-7 7.3899999999E-7 0.0000016519999999 0.0000036949999999 0.000008262 0.000018469999999 0.00004131 0.00009237 825-90-1 4379756 144209758 A A Monosodium 4-phenolsulfonate [Na+].Oc1ccc(cc1)S(=O)([O-])=O Tox21_202560 -NCGC00357189-01 196711690 tox21-ror-cho-viability-p1 set2 4 1.33551252 -0.5217144 4.45711157 2.48721548 2.01911085 5.07218432 2.48066177 6.04807732 4.50929161 4.79908217 5.87831693 2.30660935 5.31679809 -0.57594784 1.09591889 5.917E-7 0.0000013229999999 0.000002959 0.0000066159999999 0.000014789999999 0.000033079999999 0.00007397 0.0001654 0.0003698 0.00082699999999 0.001849 0.004135 0.0092459999 0.0206699999 0.04623 68424-85-1 8755 251919696 A Quaternary ammonium compounds, benzyl-C12-16-alkyldimethyl, chlorides [Cl-].C[N+](C)(Cc1ccccc1)CCCCCCCCCCCCCC Tox21_303955 -NCGC00090962-05 196712091 tox21-ror-cho-viability-p1 set2 4 8.6349217992 -14.236656788 -3 -17.236656788 4.9549173134 0.6005125108 0.1106284402 -0.33996579 0.39263172 -4.80883236 -0.37922822 -5.20436593 -0.32287718 -5.53309852 -6.10231393 -4.25612812 -5.89170399 1.75171176 -9.65813686 -25.19721399 -8.6454139 -4.81042747 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00357237-01 196712104 tox21-ror-cho-viability-p1 set2 4 86.3492179916 16.36196464 -0.36196464 16 0.5 0.4475222433 0.2282096081 0.27804016 0.32981955 -0.92030977 0.33482037 -2.8016372 -0.14247252 0.25628203 3.29351109 -0.36206278 8.08621681 -0.6401304 4.41338639 4.51618971 0.6735851 12.16462605 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 213464-77-8 11091168 251919723 F Orthosulfamuron O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Nc2ccccc2C(=O)N(C)C Tox21_304028 -NCGC00256398-01 196708198 tox21-ror-cho-viability-p1 set1 4 0.0006113056 -15.1283309119 0.099775444 -15.0285554679 0.5 0.3098837867 0.3608112815 -8.33583932 -11.00187183 -10.63855866 -13.64178541 -9.77008777 -19.19046289 -13.78118953 -8.25018713 -12.86897759 -16.06895183 -19.05349459 -16.97172717 -14.94594886 -11.63156821 -15.30630354 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-52-0 7195 144213145 A A 6-Nitrobenzimidazole [O-][N+](=O)c1cc2ncnc2cc1 Tox21_302828 -NCGC00257328-01 196708200 tox21-ror-cho-viability-p1 set1 4 -9.77834169 -13.99649285 -15.63220188 -10.29086925 -6.82795314 -10.15566954 -9.14528706 -2.13506799 -18.88310615 -12.23648901 -17.72046895 -9.20869009 -10.64048685 -16.9045296 -12.34523519 9.733E-10 2.176E-9 4.8659999999E-9 1.088E-8 2.433E-8 5.4409999999E-8 1.2169999999E-7 2.72E-7 6.083E-7 0.00000136 0.0000030409999999 0.000006801 0.00001521 0.000034 0.00007604 7328-97-4 62630 144213708 D 2,2',2'',2'''-[Ethane-1,1,2,2-tetrayltetrakis(4,1-phenyleneoxymethylene)]tetraoxirane c2cc(OCC1CO1)ccc2C(c4ccc(OCC3CO3)cc4)C(c6ccc(OCC5CO5)cc6)c8ccc(OCC7CO7)cc8 Tox21_303396 -NCGC00256941-01 196708190 tox21-ror-cho-viability-p1 set1 4 -9.44300276 -4.87942125 -6.73496881 -0.79325921 -5.39770178 -0.7889246 -0.3837541 -8.2509844 -1.03055167 -6.44226596 -10.72304652 -5.24250991 -6.82969112 -5.40007928 -0.91925507 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 598-72-1 11729 144213543 Ac 2-Bromopropionic acid BrC(C)C(=O)O Tox21_303226 -NCGC00091632-02 196708195 tox21-ror-cho-viability-p1 set1 4 -3.5522524 -6.31592583 -5.50392117 -3.85554683 -3.22734094 -3.30282214 -4.50953793 -0.082821 -5.86174917 0.80280532 0.06131686 0.18823462 -3.91447257 -0.41087759 -2.42043027 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00163774-04 196708205 tox21-ror-cho-viability-p1 set1 4 7.103813211 7.4914987599 -13.3878819199 -5.89638316 4.9549173134 0.6468015091 0.066693368 -11.32836049 -14.28379487 -12.66073322 -11.3542696 -10.03423151 -13.92316767 -14.93845827 -15.65856513 -9.70359151 -18.2399016 -14.32436125 -7.5288923 -5.60275753 -8.37670912 -4.0803193 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00259634-01 196708613 tox21-ror-cho-viability-p1 set2 4 0.0137411172 -3.6491741199 2.5 -1.1491741199 4.9549173134 0.3754119173 0.6027361762 -0.06845093 0.46779524 6.65497109 0.78424474 -1.20362145 -3.4576451 0 -0.63489856 -3.08134493 0.10465384 -0.15864555 -0.58054628 -31.02606763 0.09397228 2.23897549 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004136 0.00009247 142-84-7 8902 144209283 FNS Dipropylamine CCCNCCC Tox21_202085 -NCGC00259373-01 196708614 tox21-ror-cho-viability-p1 set2 4 -2.04253319 -0.15363183 -5.10838777 0.66448342 0.40396208 0.40043969 -0.48437962 -0.95882593 0.42388718 -0.38972873 0.09551177 0.15832654 -2.29412926 -1.66447643 0.58339907 1.188E-9 2.657E-9 5.941E-9 1.3289999999E-8 2.971E-8 6.6429999999E-8 1.4849999999E-7 3.321E-7 7.427E-7 0.0000016609999999 0.000003713 0.000008303 0.00001857 0.00004152 0.000092829999999 15299-99-7 27189 144209022 A A Napropamide CCN(CC)C(=O)C(C)Oc2cccc1ccccc12 Tox21_201824 -NCGC00259076-01 196708617 tox21-ror-cho-viability-p1 set2 4 2.31507907 -0.66144403 -2.72432994 -1.36107571 1.27531515 0.9159018 1.11559455 -1.05265417 -1.13004045 1.64135325 -1.46428301 -1.5069584 0.2058638 1.94229953 2.40534401 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 79-06-1 6579 144208724 A A Acrylamide C=CC(N)=O Tox21_201526 -NCGC00259431-01 196708618 tox21-ror-cho-viability-p1 set2 4 -1.1050246 -6.89174022 -0.68084126 1.61590173 3.17785021 -5.14126886 -0.15816728 -7.2550595 3.42259126 -6.38085461 -6.2461409 -6.99562296 -2.44644905 -4.47845271 -6.00097667 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 7705-08-0 166033 144209080 Ferric chloride [Fe+3].[Cl-].[Cl-].[Cl-] Tox21_201882 -NCGC00259361-01 196709024 tox21-ror-cho-viability-p1 set2 4 4.37587468 0.58112638 -3.06514876 4.10264002 0.26816041 -2.57549256 0 -0.28646309 -1.5336191 1.69077467 2.77648024 2.00556527 -10.88503956 4.99679135 4.79391329 1.144E-9 2.5569999999E-9 5.7179999999E-9 1.278E-8 2.859E-8 6.392E-8 1.429E-7 3.196E-7 7.147E-7 0.000001598 0.000003573 0.00000799 0.00001787 0.00003995 0.00008934 57-55-6 1030 144209010 A A 1,2-Propylene glycol CC(O)CO Tox21_201812 -NCGC00258898-01 196709441 tox21-ror-cho-viability-p1 set2 4 6.79958044 1.5708758 0.37933209 0.26292053 3.73625753 2.98193772 4.05714909 2.08950566 2.50547676 4.47605598 1.42570568 2.92819506 -1.03972973 5.05800348 1.77134965 1.1469999999E-9 2.566E-9 5.7369999999E-9 1.2829999999E-8 2.868E-8 6.414E-8 1.434E-7 3.2069999999E-7 7.1709999999E-7 0.000001603 0.000003585 0.000008017 0.00001793 0.00004009 0.00008964 110-12-3 8034 144208544 A Fc 5-Methyl-2-hexanone CC(C)CCC(C)=O Tox21_201346 -NCGC00259605-01 196709443 tox21-ror-cho-viability-p1 set2 4 0.70073846 0.79521021 1.28948805 0.10674945 1.4260926 0.19853321 0.88851726 0.91326595 2.42990553 1.17200713 -1.01590108 2.31157441 2.39116096 4.73263401 3.04362313 1.15E-9 2.573E-9 5.752E-9 1.2859999999E-8 2.876E-8 6.431E-8 1.438E-7 3.2159999999E-7 7.1899999999E-7 0.000001608 0.000003595 0.0000080389999999 0.00001798 0.0000402 0.000089879999999 108-38-3 7929 144209254 FC m-Xylene Cc1cccc(C)c1 Tox21_202056 -NCGC00259115-01 196709454 tox21-ror-cho-viability-p1 set2 4 0.17172758 -0.55945055 -1.48187609 -2.95294055 -4.32842697 -1.65274665 -5.11555841 -3.84617124 -3.43681941 -4.82455781 -0.61545837 -1.27012417 -1.60590118 0.12300751 -1.36262052 1.19E-9 2.6619999999E-9 5.9519999999E-9 1.331E-8 2.976E-8 6.654E-8 1.4879999999E-7 3.3269999999E-7 7.44E-7 0.0000016639999999 0.00000372 0.0000083179999999 0.0000186 0.00004159 0.000093 120-14-9 8419 144208764 A A Veratraldehyde COc1cc(ccc1OC)C=O Tox21_201566 -NCGC00256350-01 196727617 tox21-ror-cho-viability-p1 set3 4 -1.94452473 1.85510075 -3.65652089 -0.38778183 -4.24123339 -1.06071906 0.50447841 -5.18738188 -5.82672835 -3.08380055 0 -4.16766321 -3.58227328 2.2815439 -2.98402822 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 20917-49-1 30360 144213279 A Ac Nitrosoheptamethyleneimine O=NN1CCCCCCC1 Tox21_302962 -NCGC00091830-04 196727194 tox21-ror-cho-viability-p1 set3 4 2.1689942904 -5.111499412 -0.5 -5.611499412 4.9549173134 0.3319096817 0.3387376315 -1.2973813 0.58123323 1.00651596 -3.38185312 0.32911512 0.56734242 -0.83019626 -0.95111184 -3.26535198 0.7547778 -14.67624951 -1.5391948 -1.58376016 -2.96462435 -8.66292235 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00256664-01 196727216 tox21-ror-cho-viability-p1 set3 4 -18.61478699 -21.50342739 0 -21.0676525 -8.15185238 -5.35562011 -3.32677794 -2.93528923 -3.05735384 -0.2754092 0 -15.35970198 -4.61829583 -6.89954153 -3.37484112 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 344-04-7 9578 144212824 Bromopentafluorobenzene Fc1c(F)c(F)c(F)c(Br)c1F Tox21_302507 -NCGC00256390-01 196727611 tox21-ror-cho-viability-p1 set3 4 1.2197151236 3.8927336279 -3.8927336279 0 3.5117481694 0.4015755872 0.2742566036 -4.04727817 -3.59724547 -3.49784154 -4.59356377 -1.7656636 -2.32894661 -1.59487237 -9.49394469 -4.37711652 0 0 -1.46625772 -1.70135876 -2.0310555 3.90923068 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-05-9 5271566 144213337 A A Diethyl maleate O=C(\C=C/C(=O)OCC)OCC Tox21_303020 -NCGC00256809-01 196727618 tox21-ror-cho-viability-p1 set3 4 1.43644547 -0.70405125 2.0971999 -0.55219073 2.1323399 -0.2544989 -0.38206462 0.36882578 0.42267082 -1.0672682 2.60783082 -0.69623684 0.44179473 0.51621524 1.24676246 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.052E-8 6.825E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 4312-99-6 61346 144213027 Fns 1-Octen-3-one C=CC(=O)CCCCC Tox21_302710 -NCGC00091284-03 196727632 tox21-ror-cho-viability-p1 set3 4 61.130564862 -21.50874624 1 -20.50874624 2.6384283767 0.88928654 0.0005403874 -0.40341626 4.09255357 2.71957652 0.87158696 1.70414728 1.4944967 0.36984003 3.45277732 0.75489035 0.12678439 -2.08542633 1.78390354 -0.88528135 -4.33364226 -15.4239552 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00255731-01 196728036 tox21-ror-cho-viability-p1 set3 4 0.0015355304 9.790283016 -10.290283016 -0.5 4.9549173134 0.6415770423 0.0839451809 -8.15856918 -0.91699946 -1.09570507 -1.14535874 -0.16119924 0.54931967 3.13945684 -2.2872602 -0.28775965 -1.8020354 0.50640798 -2.4893637 -2.20071488 -1.37069749 -5.89934739 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14663-23-1 32731 144212314 A A Dantrolene sodium [Na+].[O-][N+](=O)c1ccc(cc1)c3ccc(/C=N/N2CC(=O)[N-]C2=O)o3 Tox21_301997 -NCGC00255776-01 196728046 tox21-ror-cho-viability-p1 set3 -1.1 15.3553036427 -83.3341242761 1.878294342 -81.4558299341 2.4063783767 0.9803783897 4.25E-8 0 -0.00235806 -3.38659779 8.25410481 -0.16910106 -1.97992857 -2.24113842 -1.70554679 8.47433441 6.08137273 4.10215365 -11.81576332 -52.70991004 -74.71410215 -77.74272217 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5137-55-3 21218 144212515 D Methyltrioctylammonium chloride [Cl-].CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC Tox21_302198 -NCGC00091261-03 196728049 tox21-ror-cho-viability-p1 set3 4 42.8373931429 -15.636285852 4.5 -11.136285852 3.0654483358 0.3265787667 0.3422208812 3.98128509 -7.168809 -0.6304256 4.20189118 7.92619796 11.73539085 6.82069297 6.81687581 -7.11720705 11.14762193 7.90018496 4.166564 5.55574182 -3.60969238 -9.28023821 1.1699999999E-9 2.6159999999E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.539E-8 1.462E-7 3.269E-7 7.311E-7 0.000001635 0.0000036549999999 0.000008173 0.00001828 0.000040869999999 0.00009138 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00255138-01 196728054 tox21-ror-cho-viability-p1 set3 4 0.0015355304 11.430601408 -10.930601408 0.5 4.9549173134 0.534029676 0.1508831539 -8.69216784 1.39064786 3.85753696 1.22010673 1.6231109 1.4247636 3.28388307 -1.9943974 -0.080254 -3.04543077 1.63511625 -0.75546342 -3.93676844 1.99383358 1.06198128 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5766-67-6 21984 144212182 A A (Ethylenedinitrilo)tetraacetonitrile N#CCN(CCN(CC#N)CC#N)CC#N Tox21_301865 -NCGC00255362-01 196728452 tox21-ror-cho-viability-p1 set3 4 -1.1182318 -0.17471483 5.01722884 0.75059379 -1.54475585 1.93329991 6.29307731 -3.20519048 -0.44991556 -2.08124874 4.33347313 14.55559625 2.00520146 2.46064513 6.5330441 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-89-8 892 144212352 A A myo-Inositol O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O Tox21_302035 -NCGC00178520-03 196725209 tox21-ror-cho-viability-p1 set3 -2.4 33.4914596268 -22.748234892 -2.5 -25.248234892 4.9549173134 0.7048076114 0.0361208546 -5.14863705 -4.45555159 4.03313323 0.24757356 0 0.03758562 -3.91500623 -6.24454858 -5.3672274 -7.88935697 -4.23662048 -2.6568376 -1.36375174 -2.7442817 -21.45686241 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 611-75-6 5702220 170465803 A Bromhexine hydrochloride Cl.CN(Cc1cc(Br)cc(Br)c1N)C2CCCCC2 Tox21_111385_1 -NCGC00164127-03 196712896 tox21-ror-cho-viability-p1 set2 -2.1 61.130564862 -95.3078593084 -2.885891006 -98.1937503144 2.8472712143 0.9763172589 1.258E-7 -6.36069268 -5.69153382 -0.8026875 0.18577321 -5.66691576 -4.91045432 -6.38004341 -1.15711269 -5.40485725 -1.02040298 3.33334164 -0.32466435 -8.55186555 -25.94010351 -75.52556842 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00249927-01 196712481 tox21-ror-cho-viability-p1 set2 -3 29.8492948118 -37.174802324 -1.5 -38.674802324 2.8472712143 0.9751590965 1.664E-7 -0.27032266 0.24604884 -1.77588553 -2.83190924 -1.81106596 -1.98385705 -0.76153914 -0.39649263 -0.38405219 -0.32353802 -0.66848765 -3.71465956 -4.55123538 -9.82033267 -30.56233527 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 154-82-5 71622 170466023 A A Simetride O=C(COc1ccc(CCC)cc1OC)N2CCN(CC2)C(=O)COc3ccc(CCC)cc3OC Tox21_113703 -NCGC00167453-02 196712502 tox21-ror-cho-viability-p1 set2 4 0.5955717307 -10.2035838159 0.5 -9.7035838159 3.9294729863 0.9459029826 0.0000309558 1.07521921 2.35991251 0.22980894 -0.8927201 -0.30653506 1.92905075 -0.99102976 -1.47433988 0.08988212 -7.73402993 -9.65151704 -8.88578557 -9.3457778 -10.16965318 -0.60226673 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 30299-08-2 2787 170465771 A Clinofibrate O=C(O)C(C)(CC)Oc1ccc(cc1)C2(CCCCC2)c3ccc(OC(C)(CC)C(=O)O)cc3 Tox21_112457_1 -NCGC00274058-01 196712898 tox21-ror-cho-viability-p1 set2 4 0.001333319 11.97157794 -9.47157794 2.5 0.3 0.5322784966 0.1531610253 -4.76694633 -6.22631495 0.57211481 -0.35508479 0.10679241 -5.41249815 0.39821038 0.91584689 1.30239109 -0.01645933 0.9182263 1.26246544 1.13948893 0.9415842 4.11350249 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 465-65-6 5284596 170465008 A Naloxone O=C1CC[C@@]5(O)[C@H]2Cc4ccc(O)c3O[C@@H]1[C@]5(CCN2CC=C)c34 Tox21_112006_1 -NCGC00091009-05 196712900 tox21-ror-cho-viability-p1 set2 4 -2.75072302 -2.58745013 -2.06370774 -2.56960374 -2.95833221 2.33466035 4.0722881 0.78304732 1.23604645 0.95420574 -2.43528491 -0.91673844 -0.41458085 -1.53492896 -0.84785233 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00164492-02 196712902 tox21-ror-cho-viability-p1 set2 4 0.94161478 1.42650255 0.28579165 -0.78244454 3.76544775 -1.58603603 4.13194361 4.64717904 4.18888923 0.35589551 0.49070801 2.30185392 3.21147835 2.86469982 0.47106205 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 515-64-0 5343 170465986 A Sulfisomidine Cc2cc(NS(=O)(=O)c1ccc(N)cc1)nc(C)n2 Tox21_112130_1 -NCGC00262958-01 196712909 tox21-ror-cho-viability-p1 set2 4 4.62143412 8.15774619 7.36422252 2.97609811 4.05496386 2.24617005 1.85433668 2.25779649 2.89677969 0.51149372 2.75223538 0.39837382 1.47567409 -1.78232113 3.52020115 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77181-69-2 72187526 170466041 A A Bravavir Br\C=C/C1=CN(C(=O)NC1=O)[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O Tox21_113949 -NCGC00253691-01 196712917 tox21-ror-cho-viability-p1 set2 4 1.9815165 0.00107539 0.49676978 -4.00189428 2.52017354 -1.33329962 -3.93707966 1.97867218 1.93274561 1.94929914 0.58730416 -5.80166069 -4.52835107 -4.04831828 0.92198233 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 114-91-0 66991 170466612 A Ac Metyridine COCCc1ccccn1 Tox21_113813 -NCGC00164510-02 196712918 tox21-ror-cho-viability-p1 set2 4 1.19841055 -0.85520379 -2.24799274 -1.91321923 0.0466248 -2.17356104 -1.12168019 1.01095538 0.76138362 0.45804903 1.43998572 -2.36286915 0.32785163 0.6569398 0.08543544 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6961-46-2 1550874 170466602 Fc Idrocilamide OCCNC(=O)/C=C/c1ccccc1 Tox21_112145_1 -NCGC00166240-02 196712929 tox21-ror-cho-viability-p1 set2 4 0.2460706 -0.76311302 -0.62070029 -0.37424147 1.14677558 0.0562524 0.79805177 -1.16355415 0.25192647 0.42071446 -0.92907656 0.73475536 0.09558105 1.5926368 0.34310728 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 140-87-4 8820 170466231 Z Cyacetacide N#CCC(=O)NN Tox21_112366_1 -NCGC00181337-03 196712516 tox21-ror-cho-viability-p1 set2 4 1.333319023 -10.54759516 4.5 -6.04759516 2.1210667061 0.8492329124 0.0023266474 4.91914916 4.85330929 4.01294742 1.00361438 5.3113511 6.52417637 6.5593835 2.67042971 5.78142592 -0.80704089 0 -7.9563293 -6.72239276 -6.92970591 -3.60706391 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1777-82-8 15684 170465574 F 2,4-Dichlorobenzyl alcohol OCc1ccc(Cl)cc1Cl Tox21_112796_1 -NCGC00253731-01 196712526 tox21-ror-cho-viability-p1 set2 4 0.0023710138 -6.702823148 5.5 -1.202823148 4.9549173134 0.3682597725 0.3208739889 0.01486248 10.69226164 -0.4877897 -2.6801007 -0.16161292 1.43281983 1.72612776 -2.78345416 -1.71240965 -1.49032663 -3.74933067 -3.91901929 1.86732266 0.5710209 1.68466134 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 30319-05-2 96350 170466758 F Fns 3-Bromo-2-methylthiophene Cc1sccc1Br Tox21_113850 -NCGC00186028-02 196712527 tox21-ror-cho-viability-p1 set2 4 4.52293556 5.21472632 5.32060433 4.6065975 0.67612741 3.26496733 4.67333855 -0.52348076 3.58063984 3.58407951 3.79312284 0.6525302 3.91868073 0.33708017 3.29776593 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33996-58-6 59708 170464988 A Levetiracetam O=C1CCCN1C(CC)C(N)=O Tox21_112273_1 -NCGC00259218-01 196709427 tox21-ror-cho-viability-p1 set2 4 0.09614978 2.26733033 -0.3297016 0.03936445 3.0647017 -0.93383054 -1.0595585 0.03376147 -0.61333227 -0.11461496 1.9927629 -1.68335834 2.35157802 -0.40358641 -1.5312495 1.152E-9 2.575E-9 5.759E-9 1.288E-8 2.879E-8 6.439E-8 1.44E-7 3.219E-7 7.199E-7 0.00000161 0.000003599 0.000008048 0.000018 0.00004024 0.00008998 100-54-9 79 144208867 A F 3-Pyridinecarbonitrile N#Cc1cccnc1 Tox21_201669 -NCGC00259514-01 196709017 tox21-ror-cho-viability-p1 set2 4 23.8670456457 -18.580392692 -1 -19.580392692 4.0949729863 0.95020608 0.0000082874 -0.3081738 0.51890678 -0.3265833 0.07253344 -2.00755073 1.05022798 -3.53755992 0.46013657 -1.81913522 -3.23255126 -2.21648401 -0.06216822 -6.14887276 -16.81110112 -20.06699391 1.1609999999E-9 2.595E-9 5.803E-9 1.298E-8 2.9019999999E-8 6.488E-8 1.451E-7 3.244E-7 7.254E-7 0.000001622 0.0000036269999999 0.0000081099999999 0.000018129999999 0.000040549999999 0.00009067 86-50-0 2268 144209163 C C Azinphos-methyl COP(=S)(OC)SCN1N=Nc2ccccc2C1=O Tox21_201965 -NCGC00259111-01 196709413 tox21-ror-cho-viability-p1 set2 4 1.23090888 -4.09293794 0.41625684 -8.12981707 -2.71275338 0.30868145 0.46426143 0.42966315 -0.95012195 0.99465601 -3.30076848 0.06639402 -3.89803967 -1.94343451 -1.27640602 1.216E-9 2.719E-9 6.079E-9 1.359E-8 3.0389999999E-8 6.796E-8 1.5199999999E-7 3.3979999999E-7 7.599E-7 0.000001699 0.000003799 0.0000084949999999 0.000018999999999 0.000042479999999 0.00009498 22781-23-3 2314 144208760 A A Bendiocarb CNC(=O)Oc1cccc2OC(C)(C)Oc12 Tox21_201562 -NCGC00259393-01 196709417 tox21-ror-cho-viability-p1 set2 4 -0.27164565 -4.37287671 -8.56350805 -1.90728615 0.30352001 0.16690854 0.11876404 -1.28536987 0.23146746 0.56660721 -1.73075782 -1.24819413 -0.39221426 1.40108519 0.07184653 1.242E-9 2.7759999999E-9 6.208E-9 1.388E-8 3.104E-8 6.94E-8 1.552E-7 3.4699999999E-7 7.76E-7 0.000001735 0.00000388 0.000008676 0.000019399999999 0.00004338 0.000097 625-55-8 12257 144209042 D Isopropyl formate CC(C)OC=O Tox21_201844 -NCGC00255905-01 196710248 tox21-ror-cho-viability-p1 set2 4 1.55856046 3.00251782 2.50067764 2.92471241 0.46780424 -1.38961364 2.50700622 3.14645108 -1.09800422 -1.27405586 3.47404373 0.21383402 -1.33419859 1.39819786 -0.9608482 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-89-6 2735045 144211528 Fns Potassium ethyl xanthate [K+].[S-]C(=S)OCC Tox21_301211 -NCGC00255770-01 196710250 tox21-ror-cho-viability-p1 set2 -1.1 5.4482673282 -70.665053949 -5.603321643 -76.268375592 1.8851180601 0.9899693794 8E-10 -5.74970594 -8.37192988 -1.36147607 -4.22425747 -3.24905823 -3.92622617 -6.14891032 -8.27778621 -9.88818341 -10.74728606 -29.44581255 -52.07851481 -76.05697966 -75.60376931 -71.31894993 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13676-54-5 83648 144212381 A A Bismaleimide O=C1C=CC(=O)N1c2ccc(cc2)Cc3ccc(cc3)N4C(=O)C=CC4=O Tox21_302064 -NCGC00256027-01 196710656 tox21-ror-cho-viability-p1 set2 4 -6.03324189 -4.69686608 -8.62719653 -6.25367505 -7.51234554 -0.73710098 0.8769136 -2.75124541 -5.05290199 -1.96367917 -1.16334526 -4.46664715 -1.06530977 -3.74224671 -2.75253795 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2457-01-4 102821 144211942 A Barium bis(2-ethylhexanoate) [Ba+2].[O-]C(=O)C(CC)CCCC.CCC(CCCC)C([O-])=O Tox21_301625 -NCGC00255498-01 196709868 tox21-ror-cho-viability-p1 set2 -2.4 34.3762428541 -36.0558651599 -4.111895524 -40.1677606839 0.4 0.5368020065 0.1462520626 -18.13855954 -0.09324627 -4.90737405 -1.81717041 -3.92685303 -13.93094519 -13.62918342 -14.6243369 -2.09472183 -13.56667664 -13.45052322 -13.16477199 -16.94246276 -22.87711474 -30.13980057 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5850-86-2 23682559 144211971 A C.I. Acid Orange 8, monosodium salt [Na+].O=S([O-])(=O)c3cc(C)c(/N=N/c1c2ccccc2ccc1O)cc3 Tox21_301654 -NCGC00090942-03 196709459 tox21-ror-cho-viability-p1 set2 -2.1 54.4826732819 -96.2335061432 1.350702128 -94.8828040152 3.5722481694 0.9946792107 0 4.38479386 1.41927353 0.83380548 -1.58447189 -0.20778884 0.70036841 3.89859478 1.93096634 0.82803261 3.47954561 -0.24794773 2.29142389 -0.01326182 -24.48940553 -82.10818486 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00255434-01 196709855 tox21-ror-cho-viability-p1 set2 4 -3.2583535 -1.22254097 -0.70991511 -2.15974977 -0.01657738 -1.42894662 -1.85944044 0.74700351 -1.19410725 1.87009403 3.15097522 0.61416707 2.00203162 0.93062262 -3.5645996 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2760-98-7 72700 144211777 A C 1,3-Benzenedicarboxylic acid, dihydrazide O=C(NN)c1cccc(c1)C(=O)NN Tox21_301460 -NCGC00255124-01 196709856 tox21-ror-cho-viability-p1 set2 4 0.0017228934 9.836744024 -9.336744024 0.5 4.0949729863 0.591587054 0.1054954601 -7.78062002 -0.79282736 -1.82340323 -0.59743168 1.03798396 2.42452179 1.55281175 -3.41058646 0.71830287 -2.15931691 -0.40316823 1.56847673 2.20584676 0.77195784 2.57992458 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14028-44-5 2170 144212669 A A Amoxapine Clc1ccc2Oc4ccccc4N=C(c2c1)N3CCNCC3 Tox21_302352 -NCGC00255284-01 196710274 tox21-ror-cho-viability-p1 set2 4 4.20342483 3.4534541 0.10385975 1.00933046 0.77266311 4.43335267 -0.70336624 0.953566 1.31645885 -0.53079696 1.41428423 -0.46396087 0.50475712 1.8041031 1.74707978 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84-72-0 6785 144211805 A A Ethyl phthalyl ethyl glycolate O=C(OCC)c1ccccc1C(=O)OCC(=O)OCC Tox21_301488 -NCGC00255204-01 196728879 tox21-ror-cho-viability-p1 set3 -2.4 16.7854920005 -22.159937132 -2.5 -24.659937132 1.4787409999 0.8353500239 0.0034497472 -0.91383206 -2.85437781 2.53759425 -2.7418442 -5.5931846 -4.85994686 -2.29667643 -3.6193563 -2.09023893 -5.46431853 1.69101544 -7.2638308 -9.28097363 -14.56943568 -20.54994761 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26264-06-2 24180685 144212705 F Calcium dodecylbenzene sulfonate [Ca+2].O=S([O-])(=O)c1ccc(cc1)C(CC)CCCCCCCCC.CCC(CCCCCCCCC)c1ccc(cc1)S([O-])(=O)=O Tox21_302388 -NCGC00256163-01 196728455 tox21-ror-cho-viability-p1 set3 4 2.3705449 7.05740089 -1.50159683 3.63760771 -0.90462676 0.67489584 1.96619489 0.96700461 1.07606733 0.19478983 -0.68448776 -0.0406558 -1.55265011 4.77335961 2.49193158 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 659-70-1 12613 144211937 Ac Fns 3-Methylbutyl 3-methylbutanoate CC(C)CCOC(=O)CC(C)C Tox21_301620 -NCGC00090776-02 196728456 tox21-ror-cho-viability-p1 set3 4 67.3360061293 9.5794052679 -0.5794052679 9 4.9549173134 0.5221996463 0.16208217 1.95744386 -1.76147713 0.14048447 2.17605333 0.75273781 -0.03848035 -3.26278922 0.68165997 0.71757735 -4.64950439 -0.08131538 -2.40555213 -2.4584276 0.36477456 7.13950923 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00255892-01 196728877 tox21-ror-cho-viability-p1 set3 -2.4 27.3060203028 -33.7443592279 4 -29.7443592279 1.5385888099 0.87626835 0.0009147597 -0.2680118 11.2327208 9.0006676 2.43914233 2.94580309 3.39591341 0.3871872 -0.86860295 7.47403581 6.17649256 -0.26399848 -0.70247002 -6.49154167 -17.03866183 -26.45363269 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66246-88-6 91693 144211635 A A Penconazole Clc2ccc(C(CCC)Cn1cncn1)c(Cl)c2 Tox21_301318 -NCGC00254477-01 196719944 tox21-ror-cho-viability-p1 set3 4 4.94419845 5.43241623 -4.92100463 -2.0584919 5.62573814 1.97960552 -4.78257796 0.80200565 -3.67514037 -3.46638303 -1.91157056 0.0829714 6.25239404 -4.3703792 2.60204928 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 501027-49-2 10134976 144210785 A A PD-0333941 O=C(O)CCn4ccc3c4cccc3OCCc1nc(oc1C)c2ccccc2 Tox21_300467 -NCGC00254334-01 196719948 tox21-ror-cho-viability-p1 set3 4 0.216899429 17.156978924 -14.656978924 2.5 0.3 0.7420322156 0.022139625 -12.12394718 -13.88081577 -6.41314797 -9.86724701 -5.99614782 -10.78326851 -4.47426481 -5.98306692 -6.46534395 -4.16042286 -0.22480365 -0.06738299 -5.26909395 -0.3824511 1.98569494 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2432-87-3 75516 144210841 A Fns Dioctyl succinate CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC Tox21_300523 -NCGC00253926-01 196719546 tox21-ror-cho-viability-p1 set3 4 0.0385707789 19.869155088 -18.869155088 1 0.3 0.5748278689 0.1159346883 -12.10476213 -19.05762924 -5.01823828 -9.42486619 -12.08073128 -11.03958029 -1.42913529 -11.49826235 -3.29829824 -2.23231793 -0.96289489 -2.33166263 -5.1947201 -2.73755607 1.50525023 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-24-1 637566 144210456 A A Geraniol C\C(C)=C\CCC(\C)=C\CO Tox21_300136 -NCGC00254153-01 196719942 tox21-ror-cho-viability-p1 set3 -3 54.6319326104 -42.8354799809 5.6913841945 -37.1440957864 4.9549173134 0.8400164119 0.0030163677 11.01446505 10.63712185 13.45042423 2.53430205 7.00343083 2.9986374 3.22604712 3.97303159 -1.41423028 6.26058762 6.41030281 0.82562982 3.58934104 4.34099707 -30.37725966 9.762E-10 2.183E-9 4.881E-9 1.091E-8 2.441E-8 5.457E-8 1.2199999999E-7 2.7289999999E-7 6.101E-7 0.000001364 0.000003051 0.000006822 0.00001525 0.00003411 0.000076269999999 NOCAS_47387 60196411 144210578 A A SAR102779 O=C2CO[C@](CN2c1ccccc1)(CCN3CCC(NC(C)=O)(CC3)c4cccc(F)c4)c5ccc(Cl)c(Cl)c5.O=C(O)CCC(=O)O Tox21_300258 -NCGC00254063-01 196719961 tox21-ror-cho-viability-p1 set3 4 0.0243365162 7.1246755319 -6.6246755319 0.5 4.9549173134 0.7335283203 0.0251409281 -6.7246365 -7.03415585 -2.35202114 -10.93722961 -0.38488009 -0.88326813 2.52794339 0.45193916 -1.73996544 0.08118886 1.314098 0.8896973 1.5228318 0.33148532 1.93240804 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-54-8 54675776 144210470 F F Tetracycline NC(=O)C1=C(O)[C@@H](N(C)C)[C@@H]2C[C@H]4C(=C(O)[C@]2(O)C1=O)C(=O)c3c(O)cccc3[C@@]4(C)O Tox21_300150 -NCGC00254527-01 196720360 tox21-ror-cho-viability-p1 set3 4 15.3553036427 -14.657228732 13 -1.657228732 3.2474983358 0.7093072066 0.0341484114 9.75838047 5.861251 11.90164984 10.4342998 11.25047942 13.1301379 12.88021593 13.13965382 16.71522481 18.70921824 19.45047392 10.233601 4.25633418 -1.48503948 -1.79769061 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 754-91-6 69785 144210730 A A PFOSA FC(F)(C(F)(F)S(N)(=O)=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300412 -NCGC00254872-01 196720361 tox21-ror-cho-viability-p1 set3 4 0.0015355304 14.315115356 -15.315115356 -1 0.4 0.4192230435 0.2552923482 -6.40808708 -12.76259613 -3.64047928 -0.34990293 -9.21572428 -5.88617029 -0.79821482 -1.42779314 -1.02470286 -2.29797538 -2.78829784 1.18497201 -3.32776455 -2.57886309 0.74440987 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18031-40-8 2724159 144211286 I (S)-4-Isopropenyl-1-cyclohexene-1-carboxaldehyde CC(=C)[C@@H]1CC=C(C=O)CC1 Tox21_300969 -NCGC00253923-01 196720371 tox21-ror-cho-viability-p1 set3 4 0.2433651621 16.3304678399 -16.1686282719 0.161839568 0.5 0.8546930659 0.0019602022 -13.15040526 -20.14052356 -9.79885273 -11.84364215 -15.33932026 -9.82950363 -8.41588883 -6.97200523 -5.95486455 -4.57187407 -3.08970997 -1.99196789 -2.09034372 -1.7302841 -0.28180036 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 150-13-0 978 144210407 A A 4-Aminobenzoic acid OC(=O)c1ccc(N)cc1 Tox21_300087 -NCGC00257524-01 196720772 tox21-ror-cho-viability-p1 set3 4 0.0061130565 13.0889446759 -15.7460712159 -2.65712654 0.8999999999 0.7485057857 0.020178866 -11.27645808 -14.78839268 -9.10475046 -3.2651531 -8.80862118 -3.68091654 -2.38052352 -2.94123603 -1.49310031 -4.65907233 -0.54760545 -4.80175139 -1.47668175 -2.9727415 -3.22479471 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2113-61-3 5284341 144211290 A B 4-Biphenylamine hydrochloride Cl.Nc1ccc(cc1)c2ccccc2 Tox21_300973 -NCGC00090702-02 196720776 tox21-ror-cho-viability-p1 set3 4 6.1270559 12.50030166 14.86856647 1.22027928 13.70502207 -1.72484067 2.85414882 5.7496784 4.64343547 10.20273106 14.61069562 5.94848156 2.54100889 0.72087306 -1.21681182 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00090698-04 196720788 tox21-ror-cho-viability-p1 set3 4 0.0024336516 19.0432355519 -21.5610763399 -2.517840788 0.6 0.5947981092 0.1012027263 -13.73445413 -16.30089695 -5.45714275 -2.55369257 -10.28862788 -8.37717387 -2.24984173 -3.6369483 -4.61617636 -0.43153399 -0.59386668 -2.6699493 -5.90183759 -5.03363505 -1.24230728 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00258434-01 196715607 tox21-ror-cho-viability-p1 set2 4 1.06928985 0.42999262 -0.81178246 -3.76708282 -2.10848214 -4.06889675 -4.35477049 -4.89753382 -1.90654856 -6.8010431 -2.07444586 -5.81197758 -2.31215331 1.14425691 -4.4542859 1.133E-9 2.533E-9 5.6639999999E-9 1.2659999999E-8 2.832E-8 6.332E-8 1.416E-7 3.1659999999E-7 7.0799999999E-7 0.000001583 0.00000354 0.000007915 0.0000177 0.00003958 0.0000885 504-29-0 10439 144208078 A A 2-Aminopyridine Nc1ccccn1 Tox21_200880 -NCGC00091586-02 196715614 tox21-ror-cho-viability-p1 set2 4 57.8507107855 -16.0295992719 0.5 -15.5295992719 1.01 0.6475273013 0.0664337898 3.54326312 -0.1521539 0.49739081 -1.18848955 0.90610329 2.75627697 -1.24698532 -0.03941949 0.20192494 -3.07286476 -0.23302945 0.23188368 -6.31517659 -1.77571687 -11.27466606 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00254367-01 196715189 tox21-ror-cho-viability-p1 set2 4 75.084345771 14.236006528 0.763993472 15 4.9549173134 0.9138549178 0.0001574238 1.53182496 0.68009142 0.29983087 0.27464285 -0.82105021 0.945033 -1.03000544 0.64521478 0.70476101 0.38975312 1.50040024 1.6336489 1.22053491 0.097856 11.63830666 1.156E-9 2.585E-9 5.781E-9 1.293E-8 2.8899999999E-8 6.463E-8 1.4449999999E-7 3.231E-7 7.226E-7 0.000001616 0.000003613 0.000008079 0.000018059999999 0.00004039 0.000090319999999 2058-46-0 54680782 144210918 A C Oxytetracycline hydrochloride Cl.NC(=O)C=3C(=O)[C@@]4(O)C(O)=C2C(=O)c1c(O)cccc1[C@@](C)(O)[C@H]2[C@H](O)[C@H]4[C@@H](C=3O)N(C)C Tox21_300601 -NCGC00258228-01 196715612 tox21-ror-cho-viability-p1 set2 4 -2.82695744 -1.46830525 -1.60603425 0.22259935 0.15994272 -2.24664302 -1.4351779 0.96707482 -1.89176128 1.35232111 -5.03162609 1.69110375 1.80491709 -1.81225175 -0.40679599 1.1469999999E-9 2.566E-9 5.7369999999E-9 1.2829999999E-8 2.868E-8 6.414E-8 1.434E-7 3.2069999999E-7 7.1709999999E-7 0.000001603 0.000003585 0.000008017 0.00001793 0.00004009 0.00008964 79-29-8 6589 144207872 FNS 2,3-Dimethylbutane CC(C)C(C)C Tox21_200674 -NCGC00257747-01 196715616 tox21-ror-cho-viability-p1 set2 -2.4 30.9496935865 -28.907383016 3 -25.907383016 3.1319983358 0.9539223082 0.0000053857 4.56571423 2.26240829 1.80193907 4.38628244 4.72008509 3.37329047 2.68958189 3.87106245 5.09115508 1.88534351 -1.36413486 -0.19968303 0.49519273 -19.97760718 -24.92281918 1.19E-9 2.6619999999E-9 5.951E-9 1.331E-8 2.976E-8 6.654E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.00000372 0.000008317 0.0000186 0.00004159 0.000092989999999 69669-44-9 23707968 144207391 FC Benzenesulfonic acid, C10-14-alkyl derivs., sodium salts [Na+].O=S([O-])(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_200193 -NCGC00257823-01 196715617 tox21-ror-cho-viability-p1 set2 4 -0.0132798 1.81917236 1.39290145 0.75459835 0.49482769 1.05639183 1.14367752 2.47042209 3.26466544 3.68628578 1.07910355 7.82772641 1.94602982 1.66020572 0.66771261 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.0000016719999999 0.0000037379999999 0.000008358 0.00001869 0.00004179 0.00009344 102-08-9 700999 144207467 A A Thiocarbanilide S=C(Nc1ccccc1)Nc2ccccc2 Tox21_200269 -NCGC00258712-01 196716024 tox21-ror-cho-viability-p1 set2 4 6.49704347 7.59632479 0.32515153 -0.43635854 5.99145154 7.46499111 0.84950591 3.93197835 3.97799583 2.86125381 5.26858756 5.23927169 -0.37303329 -0.3950814 0.58302333 1.171E-9 2.618E-9 5.8529999999E-9 1.3089999999E-8 2.927E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.316E-7 0.0000016359999999 0.000003658 0.00000818 0.00001829 0.0000409 0.00009146 51481-61-9 2756 144208358 A A Cimetidine N#C\N=C(/NC)NCCSCc1ncnc1C Tox21_201160 -NCGC00258207-01 196716028 tox21-ror-cho-viability-p1 set2 4 -1.41283032 -6.84189592 -3.33504285 -3.59163686 -5.4704401 1.57326827 -3.79340389 -7.14872914 -0.0903772 -5.62756532 0.13586635 6.63830574 -2.61811447 -3.32678744 2.01579908 1.194E-9 2.6689999999E-9 5.968E-9 1.3339999999E-8 2.9839999999E-8 6.672E-8 1.4919999999E-7 3.3359999999E-7 7.4599999999E-7 0.000001668 0.00000373 0.00000834 0.00001865 0.0000417 0.00009324 17026-81-2 28207 144207851 A A 3-Amino-4-ethoxyacetanilide CCOc1ccc(cc1N)NC(C)=O Tox21_200653 -NCGC00257662-01 196716030 tox21-ror-cho-viability-p1 set2 4 4.13646106 -0.87952626 1.18339954 0.84927384 1.59110026 1.4049845 -7.74320106 2.25579457 1.25319181 0.544626 -0.99406429 -2.42554507 1.20272965 0.81839885 1.22807404 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 80-56-8 6654 144207306 FNS alpha-Pinene CC2(C)C1CC=C(C)C2C1 Tox21_200108 -NCGC00258498-01 196716032 tox21-ror-cho-viability-p1 set2 4 -6.15462859 -1.42873116 -1.12500548 1.17855538 2.63034889 -1.54742905 -1.6054782 -1.85755248 2.00369229 -2.10915064 0.82279501 1.95153464 2.73760229 -0.39131394 2.00490892 1.148E-9 2.566E-9 5.739E-9 1.2829999999E-8 2.8689999999E-8 6.4159999999E-8 1.4349999999E-7 3.2079999999E-7 7.173E-7 0.000001604 0.000003587 0.00000802 0.00001793 0.0000401 0.00008967 82854-37-3 5281771 144208143 A A Echinacoside Oc1ccc(cc1O)/C=C/C(=O)O[C@@H]5[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@H]5O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O Tox21_200945 -NCGC00090701-06 196716034 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -12.5717398959 2 -10.5717398959 4.9549173134 0.7161348155 0.031948062 2.21954567 2.27673151 1.1336343 0.35571448 0.35001832 6.54752386 0.31092455 3.24562033 1.3897068 3.66350837 1.68685866 3.83089243 0.3357523 1.43543106 -8.39311658 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00258016-01 196716434 tox21-ror-cho-viability-p1 set2 4 -0.83941958 -0.95373736 -0.96488417 0.68341771 -1.03683368 -0.91803983 -1.29518545 -0.04852802 -0.25796567 0.16729219 0.05235621 -1.27029198 1.09163895 1.08370408 -0.97627243 1.182E-9 2.6429999999E-9 5.91E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.304E-7 7.387E-7 0.0000016519999999 0.0000036939999999 0.000008259 0.000018469999999 0.000041299999999 0.00009234 6938-94-9 23368 144207660 B A Diisopropyl adipate CC(C)OC(=O)CCCCC(=O)OC(C)C Tox21_200462 -NCGC00164168-02 196724383 tox21-ror-cho-viability-p1 set3 4 1.6186602137 -6.0838358639 0 -6.0838358639 3.9899729863 0.4186980973 0.2552607623 -4.71515292 -0.89745541 -0.80622708 -3.5638526 3.58439514 1.54876379 6.87830378 -3.57573706 -0.14905352 -3.39811017 -6.75009989 -6.55790619 -3.11274956 -2.95062348 -10.06986322 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.000096319999999 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00260153-01 196724407 tox21-ror-cho-viability-p1 set3 4 0.1960673108 14.5160300919 -5.5160300919 9 0.2 0.5434597879 0.1426645398 -3.76335841 1.63037816 -2.4330836 0.51091706 0.72224453 0.52661187 1.14289522 1.49621034 5.75913985 2.79608054 1.78485183 6.50615357 5.93103759 -0.00053498 8.81783833 1.194E-9 2.671E-9 5.9709999999E-9 1.335E-8 2.986E-8 6.676E-8 1.493E-7 3.338E-7 7.464E-7 0.000001669 0.000003732 0.000008345 0.00001866 0.000041729999999 0.000093299999999 367522-96-1 12195864 144209803 A A 1-Butyl-1-methylpyrrolidinium trifluoromethanesulfonate CCCC[N+]1(C)CCCC1.FC(F)(F)S([O-])(=O)=O Tox21_202605 -NCGC00357157-01 196724798 tox21-ror-cho-viability-p1 set3 4 4.8557733675 -10.154644636 3 -7.154644636 4.9549173134 0.4588309453 0.2331901456 -3.48475482 8.51593465 1.16427659 4.84923224 -0.79548457 4.74784757 6.45995251 1.19855247 3.07203074 0.13529504 4.25233935 -16.37887053 -5.17114699 -1.1652059 -1.62074446 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 687-47-8 92831 251919772 A (L)-(-)-Ethyl lactate C[C@H](O)C(=O)OCC Tox21_303905 -NCGC00356980-01 196724817 tox21-ror-cho-viability-p1 set3 4 0.0054482673 10.469333476 -8.469333476 2 1.8616924601 0.5515489917 0.1507531915 -7.89111123 -6.82472175 -2.4400165 0.37833811 -0.70278308 4.97849161 4.72892131 2.92832799 -3.98787269 2.58621449 -1.47183468 3.07800347 -2.23818985 7.23562001 -2.25694484 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 20120-33-6 29959 251919748 F Dimethyl N-methylolphosphonopropionamide O=P(CCC(=O)NCO)(OC)OC Tox21_303831 -NCGC00274068-01 196725217 tox21-ror-cho-viability-p1 set3 4 5.3080386368 -9.3464724 -2 -11.3464724 1.9673362061 0.7232542018 0.028824663 -2.59376975 0.32565696 -8.10954651 -2.81066964 -1.81539444 -0.19281083 -0.90340147 -0.31116265 -0.21593361 -3.02897936 -1.34092999 -4.00598373 -11.538727 -11.30598126 -9.87757042 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84625-61-6 55283 170464949 A Itraconazole CC(CC)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]6CO[C@@](Cn5ncnc5)(O6)c7ccc(Cl)cc7Cl Tox21_110854_1 -NCGC00091380-04 196725218 tox21-ror-cho-viability-p1 set3 4 -4.76246046 -7.79555367 9.3133548 -0.46598477 3.17373459 -0.65918955 0.09651461 -3.90498885 -7.10720759 -7.22497404 0.06577792 -1.76258018 -4.85360326 -2.08390935 -1.12471398 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00159369-04 196725224 tox21-ror-cho-viability-p1 set3 4 -1.44925202 -9.72222819 -4.02302641 -5.06115527 -0.61202748 -9.33595033 3.29207391 -8.89518689 1.5569234 3.49272036 -8.82310188 -7.972652 3.23598625 4.70319988 2.56485819 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112-92-5 8221 170465526 F 1-Octadecanol CCCCCCCCCCCCCCCCCCO Tox21_111610_1 -NCGC00254043-01 196699065 tox21-ror-cho-viability-p1 set1 4 2.26542357 -1.31588561 0.12693385 0.04155289 -1.2876215 1.85840994 -1.79979154 -1.36265938 -1.02150777 -10.15634694 2.5425052 1.98948324 2.2338643 2.98237897 1.61572135 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-69-4 444305 144210475 A A L-Tartaric acid O=C(O)[C@H](O)[C@@H](O)C(O)=O Tox21_300155 -NCGC00159474-03 196698233 tox21-ror-cho-viability-p1 set1 4 0.20943725 2.07491073 4.08522501 2.85560047 5.48234452 0.44815677 1.9877143 4.56926822 0.56579997 1.59289512 0.69056306 5.42424692 2.01246312 3.25650023 4.94518635 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53-34-9 5876 170465086 F Fluprednisolone OCC(=O)[C@@]4(O)CC[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3C[C@H](F)C1=CC(=O)C=C[C@@]12C Tox21_111698_1 -NCGC00271596-03 196698249 tox21-ror-cho-viability-p1 set1 4 -3.58648444 0.47402755 -1.27091321 -0.17459564 -5.10742559 -8.57485926 0.9758961 -1.34536428 -3.07497381 3.77410862 0.80064203 -2.43737921 -0.57621774 0.28852109 -0.30222267 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 107868-30-4 60198 170464628 A Exemestane O=C3C=C4C(=C)C[C@@H]1[C@H](CC[C@]2(C)C(=O)CC[C@@H]12)[C@@]4(C)C=C3 Tox21_111499_1 -NCGC00254341-01 196699064 tox21-ror-cho-viability-p1 set1 4 30.6378586933 -8.9731327759 0 -8.9731327759 4.9549173134 0.5714783626 0.1193798837 0.56598658 -1.02534224 1.12649678 2.16314805 2.19819081 1.21342971 1.05919102 -7.81267402 2.15228979 -2.05690862 0.63569614 1.28140961 1.18999807 -8.25699306 -8.31094398 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 215297-27-1 9959619 144210771 A A UK-343664 O=S(=O)(c4cc(C3=Nc2c(CC)n(Cc1ccccn1)nc2C(=O)N3)c(OCCC)cc4)N5CCN(CC)CC5 Tox21_300453 -NCGC00254569-01 196699066 tox21-ror-cho-viability-p1 set1 4 -1.25168639 -1.13673573 -4.63087518 -1.07392546 -0.96438255 0.39404245 1.10339045 4.23937817 5.29702256 0.29741782 0.50871525 -0.2467269 -0.91721248 1.27074238 0.08080008 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1918-00-9 3030 144210978 A A Dicamba COc1c(c(Cl)ccc1Cl)C(=O)O Tox21_300661 -NCGC00254627-01 196699071 tox21-ror-cho-viability-p1 set1 4 0.0610062526 3.756959944 -3.256959944 0.5 4.9549173134 0.3160918503 0.3706419086 -0.62861364 -0.50259748 -8.54746662 -2.19640588 -4.68456284 -0.74278481 0.4425334 -1.79409898 0.12226173 0.31633063 2.06699898 4.41609852 2.31441063 -4.29834481 -4.09861021 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 1698-60-8 15546 144211038 A A Chloridazon O=C2C(Cl)=C(N)C=NN2c1ccccc1 Tox21_300721 -NCGC00254800-01 196699079 tox21-ror-cho-viability-p1 set1 -2.4 76.9588215421 -32.076809804 -1.5 -33.576809804 4.9549173134 0.8122227238 0.0061075507 -0.28390358 -6.83770518 0.27968573 -6.01879424 0.41911576 -1.45749053 -0.40807021 -4.68164799 -4.6619219 -0.14884564 -2.09434371 -1.55754377 3.08861526 1.80072569 -26.31400817 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 54593-83-8 91655 144211213 A Fns Chlorethoxyfos CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl Tox21_300896 -NCGC00254348-01 196699082 tox21-ror-cho-viability-p1 set1 4 -5.21931776 -0.15585687 -6.23153133 -7.10957748 0.45891649 0.51926687 -0.40956928 -5.40332328 -0.79760719 -10.58838755 -8.535308 -7.27480338 -9.62394678 -1.24642991 1.46973298 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527680-56-4 9932000 144210767 A A PHA-00568487 O=C(N[C@H]2CN1CCC2CC1)c3ccc4OCCOc4c3 Tox21_300449 -NCGC00254499-01 196699084 tox21-ror-cho-viability-p1 set1 4 2.97693982 0.81597267 -1.00758147 -0.06494061 0.94085848 -0.23164615 -2.79462217 0.0288776 2.24789238 -0.1354239 0.95909293 3.15433421 5.38521756 3.05577685 3.52104079 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 290352-28-2 9819350 144210784 A Ac CP-634384 O=C(O)C(=O)Nc3cc(C)c(Oc2ccc(O)c1CCCc12)c(C)c3 Tox21_300466 -NCGC00254653-01 196699501 tox21-ror-cho-viability-p1 set1 4 -2.83630609 4.46872964 1.73499962 1.25015903 0.28432943 -2.21472196 5.16872546 -2.46161499 -0.32854628 0.37836349 3.59979118 0.79214545 3.32720289 0.07335461 7.19541432 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 122-34-9 5216 144211065 A A Simazine Clc1nc(NCC)nc(NCC)n1 Tox21_300748 -NCGC00257520-01 196699901 tox21-ror-cho-viability-p1 set1 4 34.3762428541 9.6044748559 -0.6044748559 9 4.9549173134 0.7415132352 0.0225850799 -2.30466676 0.75429356 0.06848999 -0.80997506 -5.08706238 0.10751939 -0.10975895 0.0821222 2.81947899 0.00035492 -0.92391384 0.10404531 -0.57802577 6.59368851 8.54985184 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-85-6 66854 144211073 F Benzyltrimethylammonium hydroxide [OH-].C[N+](C)(C)Cc1ccccc1 Tox21_300756 -NCGC00254548-01 196698690 tox21-ror-cho-viability-p1 set1 4 -0.52540371 -3.39785452 -2.50559367 -1.41070993 0.60286669 -1.2859105 -0.66659147 -0.94180721 -1.43722184 0.78928237 -3.72010982 -3.50746387 0.35579489 0.85574675 -0.45464707 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 307-24-4 67542 144210712 PFHxA FC(F)(C(F)(F)C(=O)O)C(F)(F)C(F)(F)C(F)(F)F Tox21_300394 -NCGC00254526-01 196698676 tox21-ror-cho-viability-p1 set1 4 43.2771256911 13.5395657599 -2.5395657599 11 0.7 0.5696134464 0.121005963 1.27832592 -3.88836351 -3.78007586 -2.31312943 -5.8663048 -4.26135011 0.96735866 -1.52670929 -1.55263101 0.05313911 -0.59782067 -1.41836246 5.6909813 0.10896434 8.29561003 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-95-3 7416 144210826 A Ac Nitrobenzene [O-][N+](=O)c1ccccc1 Tox21_300508 -NCGC00090704-03 196723405 tox21-ror-cho-viability-p1 set3 4 0.0485577337 -13.931836684 9 -4.931836684 4.9549173134 0.8739070906 0.0010043555 7.41053789 10.7150759 11.3346566 5.01473383 11.01057358 -3.50227218 -0.86289654 -3.9877448 -3.76561132 -7.7578953 -6.14310796 -3.46243845 -7.06824609 -8.27653057 -2.12518133 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00263537-01 196723409 tox21-ror-cho-viability-p1 set3 4 4.95879135 1.65651177 1.00574049 5.06746691 2.53607376 0.01945973 3.83237717 -1.75803676 5.88874501 8.23807372 7.36630887 1.3813415 2.69456296 4.71819276 -3.17965915 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15663-27-1 2767 170464726 F Cisplatin Cl[Pt](Cl)(N)N Tox21_111011_1 -NCGC00094532-06 196723815 tox21-ror-cho-viability-p1 set3 4 -1.507103 2.27630552 -0.42766479 3.96862435 2.61992428 7.08966793 4.95802213 -1.94238445 4.677657 7.25279834 0.23158702 5.40517217 6.29953109 3.94960512 3.54590528 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00356969-01 196723819 tox21-ror-cho-viability-p1 set3 4 43.2771256911 14.1377034999 -3.1377034999 11 1.0999999999 0.3318235581 0.3378140093 -3.37482247 -6.0540945 3.90537329 -7.03810721 3.0130147 -13.44808625 -0.92290298 1.86498569 -4.76611972 -6.20044756 -2.73153695 0.18190966 2.2350205 2.03079903 7.43278253 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-93-5 8864 251919657 Ac 1,3-Diethylbenzene CCc1cccc(CC)c1 Tox21_303896 -NCGC00357063-01 196723822 tox21-ror-cho-viability-p1 set3 4 -6.06261734 0.73563912 1.87654107 -4.08922404 -0.7636221 -0.23115196 -2.96504003 -3.03715554 3.69209326 1.30921768 -2.56856756 -2.63551205 -5.80936705 -5.95202043 5.62617941 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51200-87-4 62010 251919705 Fns 4,4-Dimethyloxazolidine CC1(C)COCN1 Tox21_303770 -NCGC00260619-01 196723827 tox21-ror-cho-viability-p1 set3 4 0.0298492948 5.551515832 -5.051515832 0.5 4.4494702849 0.5722184559 0.1191468458 -6.24644831 -3.03070672 -7.54292986 -1.97613549 -5.59948459 -1.63816408 1.22715871 -0.32635276 2.83590827 4.2451062 -3.68299149 2.39293651 -1.53818777 2.44164786 -1.3147667 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49515 144210272 M M NTP Mix117 ER1 5-EQP Tox21_203074 -NCGC00091449-10 196697657 tox21-ror-cho-viability-p1 set1 4 0.26828411 2.67646648 5.99983232 0.56415298 1.64162875 1.85792636 0.41582584 3.72398456 0.96730116 0.63285285 0.28089466 2.97710509 1.13198642 4.03094296 1.32836411 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97-53-0 3314 170465464 F Eugenol Oc1ccc(cc1OC)CC=C Tox21_111134_1 -NCGC00167510-02 196722613 tox21-ror-cho-viability-p1 set3 4 1.6785492 -17.529047708 8 -9.529047708 3.0654483358 0.6304089601 0.0760431394 -4.54018399 12.43791869 10.46381182 14.80197885 -4.02925763 13.73679195 7.41095247 9.34437206 8.01751014 15.1433154 -6.12489287 -9.92536053 -10.44087309 -9.33815756 -6.23030074 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 148016-81-3 73303 170465085 F Doripenem O[C@H](C)[C@H]3C(=O)N2C(=C(S[C@H]1C[C@@H](CNS(N)(=O)=O)NC1)[C@H](C)[C@@H]23)C(=O)O Tox21_112508_1 -NCGC00090686-07 196722604 tox21-ror-cho-viability-p1 set3 4 1.7228934059 -18.799145308 12 -6.799145308 1.372261 0.6895083535 0.0428833849 0 16.9962881 9.93421826 20.9389058 4.23949797 19.11172125 10.86156034 14.5004413 5.58522233 1.74559109 -2.30445027 -3.10017613 -3.72687208 -5.56219748 -11.08262109 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00016410-13 196722607 tox21-ror-cho-viability-p1 set3 4 0.26603212 23.492293352 -9.992293352 13.5 1.55794881 0.7133679453 0.0323146392 -12.37587294 7.05999444 -10.49829328 -14.7711467 -16.25558931 -20.41024446 0 0 -1.90605437 15.71662816 11.55261042 10.16855469 11.02702139 16.85757349 12.9478931 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 148-79-8 5430 170464939 A Thiabendazole n1c3ccccc3nc1c2cscn2 Tox21_110427_1 -NCGC00178815-03 196722611 tox21-ror-cho-viability-p1 set3 4 4.29047172 -0.37890616 2.4292434 -0.77335011 8.0982762 3.1375413 2.76437954 -1.74210153 3.01794719 12.75038594 13.69937317 5.69285028 0.68952582 6.47552878 6.57562143 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64490-92-2 23677829 170465216 F Tolmetin sodium dihydrate [Na+].O.O.O=C([O-])Cc2ccc(C(=O)c1ccc(C)cc1)n2C Tox21_110792_1 -NCGC00016936-04 196723007 tox21-ror-cho-viability-p1 set3 1.2 4.7307944147 41.894260045 -0.993545184 40.900714861 0.6 0.9232608004 0.0000832748 -0.33529432 0.60056883 -3.32795432 -0.81984428 0.32222766 1.91017788 -0.08796323 -0.55445001 11.50431209 13.70107773 15.7882145 14.25844421 17.81999466 31.404118 36.00079429 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 78110-38-0 54117 170465110 A Aztreonam Nc1nc(cs1)/C(=N\OC(C)(C)C(=O)O)C(=O)N[C@@H]2C(=O)N([C@H]2C)S(=O)(=O)O Tox21_110692_1 -NCGC00024357-07 196723018 tox21-ror-cho-viability-p1 set3 4 -15.45585361 2.83221476 -0.01674154 1.52031501 1.92636298 -14.48247362 3.14831286 -26.74796619 5.46241757 0.64183731 3.40735336 1.48626613 2.04557071 1.58760265 8.05675366 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 114-49-8 6603108 170464830 A Scopolamine hydrobromide Br.OC[C@H](c1ccccc1)C(=O)O[C@H]2C[C@@H]3N(C)[C@H](C2)[C@H]4O[C@@H]34 Tox21_110035_1 -NCGC00257318-01 196726481 tox21-ror-cho-viability-p1 set3 4 0.0685896219 -5.331015296 1 -4.331015296 4.4494702849 0.3393389631 0.3316375841 -0.53082402 2.88659973 1.32905632 2.21822123 -2.59943775 0.08208055 -10.27584608 -7.35430142 -4.01957596 -5.32877693 0 1.10111593 -1.91837393 -1.36864437 -9.80049234 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 133-18-6 8615 144213808 A A Phenethyl anthranilate Nc2ccccc2C(=O)OCCc1ccccc1 Tox21_303500 -NCGC00090773-04 196725524 tox21-ror-cho-viability-p1 set3 4 3.12065328 2.60764228 -2.35805057 -0.5185058 -0.35012755 1.21307051 7.40955592 8.22917487 2.0687356 3.30653621 0.03561195 -0.41088167 1.7717433 -1.06932444 -4.48008447 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00262929-01 196725929 tox21-ror-cho-viability-p1 set3 4 11.8832183006 -17.568325552 6 -11.568325552 2.8472712143 0.5684155265 0.1206316991 -1.13519608 2.89077756 -1.55430491 2.33341699 2.30736411 8.59048772 3.89944849 11.49828658 12.57736622 15.65974877 8.58142632 2.79542183 1.07803733 -9.05777525 -11.30693796 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 211915-06-9 9578572 170466107 A F BIBR-1048 O=C(OCCCCCC)\N=C(\N)c1ccc(cc1)NCc3nc2cc(ccc2n3C)C(=O)N(CCC(=O)OCC)c4ccccn4 Tox21_113924 -NCGC00016868-12 196726334 tox21-ror-cho-viability-p1 set3 4 -2.3515319 -12.88903432 -3.99103466 -1.25462736 -3.8551216 -5.37370023 2.78225549 1.84741541 0.01542704 -5.99655781 -1.82583759 -3.8798879 -0.64314069 0.59511061 -4.72726543 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53164-05-9 1981 170466043 A Acemetacin Clc1ccc(cc1)C(=O)n3c2ccc(cc2c(CC(=O)OCC(=O)O)c3C)OC Tox21_113473_1 -NCGC00256881-01 196726465 tox21-ror-cho-viability-p1 set3 4 3.4376242854 4.4967939239 -0.4967939239 4 3.9899729863 0.4918198617 0.1889023823 -0.84758495 0.90012589 -2.49732827 -1.07939269 0.82862802 0.48756475 -1.62342763 0.37094908 -1.73415096 -0.35750331 1.01326513 9.83666962 2.49110391 1.39298948 2.47244471 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 37526-88-8 250096 144212965 A F Benzyl tiglate C\C=C(/C)C(=O)OCc1ccccc1 Tox21_302648 -NCGC00257148-01 196726478 tox21-ror-cho-viability-p1 set3 4 -2.15603096 4.1199286 2.50528702 1.08005172 0.45402901 3.79516283 -2.18999558 -0.3148395 0.6980908 -2.06644759 5.39611451 4.99798219 4.05322857 4.69248723 0.00655714 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-15-9 7078 144213538 A D N-(2-Methoxyphenyl)-3-oxobutanamide COc1ccccc1NC(=O)CC(C)=O Tox21_303221 -NCGC00257384-01 196726480 tox21-ror-cho-viability-p1 set3 4 -0.01830963 3.93197305 0.51776523 2.40326329 0.23412022 0.47059202 3.88659029 1.19151562 -1.2842321 2.48626325 3.35351477 3.54366046 3.08001944 0.39708042 -3.00785051 2.2209999999E-9 4.966E-9 1.11E-8 2.483E-8 5.552E-8 1.242E-7 2.776E-7 6.208E-7 0.0000013879999999 0.000003104 0.00000694 0.00001552 0.0000347 0.000077599999999 0.0001735 68609-97-2 17163 144213762 B Ac C12-14-Alkyl glycidyl ether CCCCCCCCCCCCOCC1CO1 Tox21_303452 -NCGC00257404-01 196726485 tox21-ror-cho-viability-p1 set3 4 2.64406833 2.14594761 -1.60167091 -1.36267981 0.34810808 1.23206937 -1.10958039 2.6447612 3.35158087 0.92805611 1.44607053 0.43017025 1.32959231 -0.54401185 0.62001616 5.427E-10 1.213E-9 2.713E-9 6.067E-9 1.357E-8 3.034E-8 6.7829999999E-8 1.517E-7 3.3919999999E-7 7.5839999999E-7 0.000001696 0.0000037919999999 0.000008479 0.00001896 0.000042399999999 1883-78-9 61282 144213800 Z A Furfuryl isopropyl sulfide CC(C)SCc1ccco1 Tox21_303491 -NCGC00256794-01 196726880 tox21-ror-cho-viability-p1 set3 4 -3.67467247 2.23108333 -2.16080669 -4.34431755 -4.89501201 -2.74002667 1.57365787 0.56050376 1.94913575 3.03434835 3.36028485 -2.84590408 -4.06344208 -4.59904237 0.41723155 1.103E-9 2.466E-9 5.515E-9 1.233E-8 2.758E-8 6.166E-8 1.3789999999E-7 3.083E-7 6.894E-7 0.000001542 0.0000034469999999 0.000007708 0.000017239999999 0.00003854 0.00008618 25339-09-7 91410 144213943 Fns Isocetyl stearate CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC(C)C Tox21_303638 -NCGC00256654-01 196726904 tox21-ror-cho-viability-p1 set3 4 2.36606914 -4.86161202 -1.96388682 -2.40612355 -0.81474782 -4.17051233 2.50950233 -28.38694253 0.76775994 0 -1.22276901 -2.62326607 -4.59162538 -5.93317641 -2.96777738 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 306-07-0 9373 144212995 A A Pargyline hydrochloride Cl.CN(Cc1ccccc1)CC#C Tox21_302678 -NCGC00256587-01 196727299 tox21-ror-cho-viability-p1 set3 4 34.3762428541 -22.250432464 -1 -23.250432464 0.7999999999 0.6447354357 0.0673696934 3.98464177 0.47499805 -0.39908642 1.29855231 -8.96158368 -0.20638627 -7.55321256 -0.04651618 1.12498864 -6.04919563 -0.32523662 -9.67412595 -7.48820508 -13.64250516 -16.45869372 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 304-28-9 9352 144213181 A A 2,7-Acetylaminofluorene CC(=O)Nc1ccc2c3ccc(cc3Cc2c1)NC(C)=O Tox21_302864 -NCGC00256886-01 196727307 tox21-ror-cho-viability-p1 set3 4 48.5577336745 -22.185263852 -3 -25.185263852 2.7202212143 0.5970914074 0.0990733852 -0.40648864 1.02232636 -0.6435043 -3.41914592 -1.38961128 -9.82443243 -1.69066452 -2.80527322 -10.82106949 -10.67897349 -2.48922073 -1.38542967 2.20497974 -13.44396478 -21.82105321 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 130-80-3 657220 144213030 A A Diethylstilbestrol dipropionate O=C(Oc1ccc(cc1)C(\CC)=C(/CC)c2ccc(OC(=O)CC)cc2)CC Tox21_302713 -NCGC00357036-01 196712323 tox21-ror-cho-viability-p1 set2 -2.4 4.2124330305 -33.7788930241 -3.8355130479 -37.614406072 2.2526478767 0.7668297894 0.0148951725 -4.60730988 -2.69359517 -5.67894979 -4.24097465 -2.41814764 -2.36292754 -8.00560159 -10.11416425 -2.91184313 -4.26415254 -5.41554415 -2.57180245 -2.98155443 -3.78758154 -28.01200506 6.488E-11 1.451E-10 3.244E-10 7.2539999999E-10 1.622E-9 3.627E-9 8.1109999999E-9 1.814E-8 4.055E-8 9.0679999999E-8 2.028E-7 4.534E-7 0.000001014 0.0000022669999999 0.000005069 1719-58-0 519368 251919773 Fns Chloro(dimethyl)vinylsilane C=C[Si](C)(C)Cl Tox21_303724 -NCGC00015542-07 196713133 tox21-ror-cho-viability-p1 set2 4 0.59402758 2.80674764 0.46689505 0.62106287 -0.05986581 0.97141988 0.54780039 1.17474642 1.10566354 0.5780253 1.52045184 1.28559579 -0.08671555 -0.17698182 1.90048036 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50847-11-5 3671 170466049 A Ibudilast CC(C)C(=O)c1c2ccccn2nc1C(C)C Tox21_113503_1 -NCGC00160541-02 196713134 tox21-ror-cho-viability-p1 set2 4 -0.6990559 -0.35523536 -5.20052853 -6.71115784 -3.69084146 -2.47068468 -1.99805122 -2.52564194 -0.92319446 -1.260787 -2.27421834 -3.06005858 -3.99046234 -0.18105715 0.90427082 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 109543-76-2 71321 170466072 A Romazarit O=C(O)C(C)(C)OCc1oc(nc1C)c2ccc(Cl)cc2 Tox21_111884_1 -NCGC00015149-16 196713137 tox21-ror-cho-viability-p1 set2 4 -0.57145807 -1.18390812 -0.288706 -4.50084493 0.04175246 -0.69289386 -0.68632951 1.07076175 -0.31305817 -0.80453543 0.56149609 1.20899459 1.41280852 -0.77626832 2.17165237 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 28395-03-1 2471 170464735 A Bumetanide O=S(N)(=O)c2cc(cc(NCCCC)c2Oc1ccccc1)C(=O)O Tox21_110088_1 -NCGC00260421-01 196711910 tox21-ror-cho-viability-p1 set2 4 -17.29054963 1.55315512 -1.9205138 -14.29219972 -1.04725079 1.20859744 -8.94841987 -15.19249564 -32.29357579 -14.10514096 -11.23206326 -8.00710824 -8.57243497 -11.43543691 -1.43538962 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.6299999999E-8 1.4829999999E-7 3.315E-7 7.4129999999E-7 0.0000016579999999 0.0000037059999999 0.000008288 0.00001853 0.000041439999999 0.00009266 89-02-1 2724588 144210073 A A 2,4-dinitro Benzenesulfonic acid dihydrate O.O.OS(=O)(=O)c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O Tox21_202875 -NCGC00260238-01 196711919 tox21-ror-cho-viability-p1 set2 2.4 43.8498924484 25.481063632 2.518936368 28 1.0999999999 0.8881666416 0.000563877 2.50495124 2.11416073 0.63718712 1.75771788 -0.40088636 2.85112911 0.73081017 5.98225424 2.12467681 5.30971071 5.33056946 7.33848613 5.99626758 14.04927372 23.30376201 1.193E-9 2.667E-9 5.9649999999E-9 1.3339999999E-8 2.982E-8 6.669E-8 1.491E-7 3.3339999999E-7 7.456E-7 0.0000016669999999 0.000003728 0.000008336 0.00001864 0.00004168 0.0000932 343952-33-0 11492406 144209888 A A 1-Butyl-4-methylpyridinium tetrafluoroborate Cc1cc[n+](CCCC)cc1.F[B-](F)(F)F Tox21_202690 -NCGC00259573-01 196711930 tox21-ror-cho-viability-p1 set2 -3 68.7989315376 -91.1029947156 -6.131701706 -97.2346964216 4.9549173134 0.8597916396 0.2201072044 -6.23559453 -7.06420493 -10.59215192 -9.07319542 -6.64101842 -4.72660551 -17.82498574 -22.09925528 -6.37001289 0 0 0 10.9720199 55.80328075 -80.34499716 1.183E-9 2.6459999999E-9 5.916E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3069999999E-7 7.395E-7 0.0000016539999999 0.0000036979999999 0.000008268 0.000018489999999 0.00004134 0.000092439999999 3524-68-3 19042 144209222 D Pentaerythritol triacrylate O=C(C=C)OCC(COC(=O)C=C)(CO)COC(=O)C=C Tox21_202024 -NCGC00090698-04 196712324 tox21-ror-cho-viability-p1 set2 4 76.9588215421 12.0885145721 0.9114854279 13 4.9549173134 0.8287549286 0.0042731393 0.66078902 -0.43267759 1.00047982 1.51222756 1.2937509 2.67724702 0.42257423 1.37588915 0.09203486 0.11426781 3.35955608 0.70567154 -0.49042881 1.3385482 9.86531056 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00091759-02 196712332 tox21-ror-cho-viability-p1 set2 4 -0.42009164 -0.26242276 0.32921076 -0.18772106 0.61818697 4.15313493 4.13236553 7.78182039 6.09649464 -0.51872414 4.1590743 4.78553081 -9.70678799 4.17491745 -7.7030727 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00357104-01 196712341 tox21-ror-cho-viability-p1 set2 4 0.87510614 -2.9591783 -5.95160749 -2.87698367 -3.01909277 -7.1507885 -0.82005113 -14.14991951 -0.30833254 -9.67167474 -6.15626712 -13.77213708 -11.17244225 -4.39994556 2.85386267 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-16-3 7128 251919973 F 4-Prop-1-enylveratrole COc1cc(ccc1OC)C=CC Tox21_303830 -NCGC00260676-01 196712346 tox21-ror-cho-viability-p1 set2 4 -3.59947428 -5.12185081 -4.26887327 -3.7475644 -6.17649201 -0.84470527 -2.91204841 -0.59337168 0.91382431 -0.75243429 -1.85716188 -0.83620885 0.79520851 2.22515236 -5.84207264 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004136 0.00009247 78-30-8 6527 144210181 A A Tri-o-cresyl phosphate Cc3ccccc3OP(=O)(Oc1ccccc1C)Oc2ccccc2C Tox21_202983 -NCGC00023939-11 196712744 tox21-ror-cho-viability-p1 set2 4 -0.90373058 -0.0856169 -0.97949961 -1.53931074 0.41259083 -0.42348025 2.47296885 0.03177814 0.13016841 0.92657654 1.36035793 2.01484336 2.60847844 0.75124345 1.11123665 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53-06-5 222786 170466316 A Cortisone OCC(=O)[C@@]3(O)CC[C@H]2[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4C(=O)C[C@@]23C Tox21_111539_1 -NCGC00090686-11 196712747 tox21-ror-cho-viability-p1 set2 4 -1.35947736 4.2457845 -0.72003268 4.05382821 -2.28788706 -1.68134709 4.10108741 4.83551531 3.2351179 0.09536827 4.05941081 4.63833487 1.09141187 -0.61271603 1.97733441 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-87-0 5447130 170464946 A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_110997_1 -NCGC00091380-04 196702599 tox21-ror-cho-viability-p1 set1 4 0.0038570779 -11.786685532 2 -9.786685532 3.9294729863 0.6101603839 0.090210598 1.57386569 0.57820256 -9.49090878 -9.62040852 -10.45836926 -4.35205382 -12.35339465 -9.82222227 -8.39690085 -3.43512213 -11.40353186 -11.3686757 -15.23890461 -11.60481043 -7.48339843 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00164520-02 196726220 tox21-ror-cho-viability-p1 set3 4 1.5354031 1.13179521 6.12475098 4.72139112 0 14.01409204 11.40218967 8.78462557 2.04331991 12.79389913 8.7338709 5.10251767 7.27617425 0.09169541 1.74842614 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 72-19-5 6288 170465476 Z L-Threonine O=C(O)[C@@H](N)[C@@H](C)O Tox21_112154_1 -NCGC00015801-12 196726225 tox21-ror-cho-viability-p1 set3 4 0.6682424727 4.771903692 -2.271903692 2.5 2.3331733767 0.5207733948 0.1626228662 -0.9599652 -0.22126747 -2.06560076 -1.23871308 -7.72658641 1.0871272 -1.50811362 -5.35206089 -0.46082195 0.66899386 1.66049495 2.00199412 4.40410946 2.06848603 2.28123853 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6493-05-6 4740 170465384 A Pentoxifylline CC(=O)CCCCN2C(=O)c1n(C)cnc1N(C)C2=O Tox21_110223_1 -NCGC00258555-01 196702189 tox21-ror-cho-viability-p1 set1 4 0.0216899429 -10.4554231439 -2.729377428 -13.1848005719 4.9549173134 0.6499867957 0.0642983303 -5.11733792 -2.13810841 -3.37877125 -1.02448119 -11.71436981 -11.25648368 -8.57486255 -16.03218428 -5.92021955 -18.48733381 -14.17958524 -11.66410096 -11.05648716 -17.04582864 -15.73494494 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.299E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.00001844 0.00004124 0.00009222 97-72-3 7346 144208200 A A Isobutyric anhydride CC(C)C(=O)OC(=O)C(C)C Tox21_201002 -NCGC00258105-01 196702193 tox21-ror-cho-viability-p1 set1 4 34.7961750105 -11.827478956 2 -9.827478956 0.7999999999 0.3939201195 0.2788897561 -0.2200365 -2.76221087 0.91408082 8.06616297 0.91788042 10.83799906 0.15077363 1.2526562 -1.73068569 1.80425561 -0.73105506 -0.20853166 -1.17284149 -5.31036476 -6.52289913 1.1919999999E-9 2.6649999999E-9 5.96E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.332E-7 7.45E-7 0.0000016659999999 0.000003725 0.000008329 0.00001862 0.00004164 0.00009312 6521-29-5 23019 144207749 A A Pentylparaben Oc1ccc(cc1)C(=O)OCCCCC Tox21_200551 -NCGC00258770-01 196702196 tox21-ror-cho-viability-p1 set1 4 4.00764769 1.40933261 -1.78276699 2.7667629 0.51788135 2.51046729 -4.30382829 2.73298993 4.78766016 3.53111058 -2.6626842 6.17082396 6.27989604 0.13219337 3.63526342 1.187E-9 2.6549999999E-9 5.936E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.3189999999E-7 7.42E-7 0.000001659 0.0000037099999999 0.0000082959999999 0.00001855 0.000041479999999 0.00009276 431-03-8 650 144208416 D 2,3-Butanedione CC(=O)C(C)=O Tox21_201218 -NCGC00258365-01 196702596 tox21-ror-cho-viability-p1 set1 4 3.35259242 4.17838733 0.48872448 2.97771715 -1.75173258 -2.17253171 7.30727338 3.44322899 4.93573083 6.8591068 1.44861192 -1.42833637 0.18356544 1.2091987 1.95693782 1.203E-9 2.69E-9 6.015E-9 1.345E-8 3.007E-8 6.7239999999E-8 1.504E-7 3.362E-7 7.5179999999E-7 0.0000016809999999 0.000003759 0.000008406 0.0000188 0.00004203 0.00009398 109-79-5 8012 144208009 FC F 1-Butanethiol CCCCS Tox21_200811 -NCGC00258188-01 196702600 tox21-ror-cho-viability-p1 set1 4 0.0395534578 -4.6730070239 1 -3.6730070239 1.111 0.3371182505 0.336269735 1.12977549 -0.96503431 2.88484147 -0.82332438 -3.70787688 2.15528494 -4.04812537 -4.72189944 -3.44372597 -2.85497909 -4.64153944 -7.64417252 -4.59273245 0.24232336 -0.25430403 1.2049999999E-9 2.695E-9 6.026E-9 1.347E-8 3.013E-8 6.737E-8 1.506E-7 3.368E-7 7.5319999999E-7 0.0000016839999999 0.000003766 0.000008421 0.000018829999999 0.000042109999999 0.00009415 100-52-7 240 144207832 A Benzaldehyde O=Cc1ccccc1 Tox21_200634 -NCGC00257997-01 196702601 tox21-ror-cho-viability-p1 set1 -2.2 50.0925305592 -39.8811978519 -1 -40.8811978519 3.0654483358 0.8849159588 0.000644714 -0.25570999 0.590888 0.01114054 -0.7943459 -0.48172465 0.83196148 -0.99436069 -11.50415119 -4.83864693 -0.18190367 0.41292847 0.62428528 1.34369988 -18.13994566 -35.1372711 1.211E-9 2.709E-9 6.056E-9 1.3539999999E-8 3.028E-8 6.771E-8 1.514E-7 3.386E-7 7.5709999999E-7 0.000001693 0.0000037849999999 0.000008464 0.00001893 0.00004232 0.00009463 144-19-4 8946 144207641 A A 2,2,4-Trimethyl-1,3-pentanediol CC(C)(CO)C(O)C(C)C Tox21_200443 -NCGC00258262-01 196702608 tox21-ror-cho-viability-p1 set1 4 0.59431322 -1.19274468 -6.7868948 -1.62559736 -1.95882169 -1.20340507 2.29892132 -6.71908133 -3.30080654 -3.65712155 -9.02739811 1.64792783 -4.35101038 -7.34690182 -7.48054933 1.188E-9 2.656E-9 5.9389999999E-9 1.3279999999E-8 2.9699999999E-8 6.64E-8 1.4849999999E-7 3.32E-7 7.4239999999E-7 0.0000016599999999 0.000003712 0.0000083 0.00001856 0.0000415 0.000092799999999 403842-84-2 16212746 144207906 A A 1-Methyl-3-octylimidazolium trifluoromethanesulfonate FC(F)(F)S([O-])(=O)=O.C[n+]1ccn(CCCCCCCC)c1 Tox21_200708 -NCGC00258114-01 196702615 tox21-ror-cho-viability-p1 set1 4 51.7242416717 -26.275001468 2.5 -23.775001468 1.752947691 0.8158210789 0.0056373795 2.00841333 1.14739811 1.5676607 9.10650102 -0.87069585 1.30598579 1.25560458 2.58497846 6.20471429 1.09751842 -0.9021327 1.61020349 -0.7586462 -7.30281544 -16.47916789 1.1299999999E-9 2.5259999999E-9 5.649E-9 1.263E-8 2.8249999999E-8 6.3159999999E-8 1.412E-7 3.158E-7 7.0609999999E-7 0.0000015789999999 0.000003531 0.000007895 0.00001765 0.00003947 0.00008827 85-19-8 6799 144207758 A A (5-Chloro-2-hydroxyphenyl)phenylmethanone Oc2ccc(Cl)cc2C(=O)c1ccccc1 Tox21_200560 -NCGC00163903-03 196703016 tox21-ror-cho-viability-p1 set1 4 -0.65618875 -9.55883879 -0.43834056 -4.3754134 -4.78586411 -16.33942062 -10.33123793 -4.89478645 1.84922035 -7.07680797 -11.18935007 -9.74399362 3.22759821 -7.51425895 -0.21615918 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00015748-17 196704251 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -24.3679601479 0.5 -23.8679601479 4.9549173134 0.8291869242 0.0040620885 6.33595175 0.55469876 -5.71156643 0.420619 -0.29304879 1.77836375 0.42673429 1.06457338 0.66746067 0.54399128 1.41849087 0.27117665 -1.19624826 -0.75742879 -19.88996679 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21829-25-4 4485 170465006 B Nifedipine CC=1NC(C)=C(C(C=1C(=O)OC)c2ccccc2[N+]([O-])=O)C(=O)OC Tox21_110212_1 -NCGC00260171-01 196703827 tox21-ror-cho-viability-p1 set1 -2.4 9.6786896923 -26.5889795119 -0.5 -27.0889795119 0.6999999999 0.8897102798 0.000524618 -4.6558026 1.22691426 0.55047885 2.54682254 0.50170725 -1.54639712 -6.44170149 -0.40412621 -6.91453052 -6.79879886 -6.4503305 -12.21238276 -21.10527157 -17.47387029 -22.99081626 1.179E-9 2.6359999999E-9 5.8929999999E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.294E-7 7.367E-7 0.0000016469999999 0.0000036829999999 0.000008236 0.00001842 0.000041179999999 0.00009208 171058-18-7 2734225 144209821 A A 1-Decyl-3-methylimidazolium chloride [Cl-].C[n+]1ccn(CCCCCCCCCC)c1 Tox21_202623 -NCGC00356961-01 196703835 tox21-ror-cho-viability-p1 set1 4 -3.1604616 -5.54047938 4.36314635 -8.28060186 -1.10603258 -10.13453914 3.42820982 2.63192936 -14.79057531 -7.74837527 3.6893294 -5.89517092 -14.2000312 -0.56646413 -6.62513928 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-56-0 7661 251919819 A 3-Phenylprop-2-en-1-yl propanoate CCC(=O)OCC=Cc1ccccc1 Tox21_303749 -NCGC00260329-01 196703836 tox21-ror-cho-viability-p1 set1 -1.2 0.3377461713 -27.60484008 0.5 -27.10484008 0.9999999999 0.935768683 0.0000325936 -0.50030124 -1.12667609 0.20932064 1.77020459 0.43711786 1.05366774 -5.66664586 -0.07990316 -13.42247797 -13.04192135 -20.65840901 -25.2625949 -24.41663453 -20.92780659 -31.7540334 3.035E-10 6.786E-10 1.5169999999E-9 3.393E-9 7.587E-9 1.697E-8 3.794E-8 8.483E-8 1.897E-7 4.2409999999E-7 9.484E-7 0.000002121 0.000004742 0.000010599999999 0.000023709999999 971-15-3 70414 144209981 F Bis(1-piperidinylthioxomethyl)hexasulfide S=C(SSSSSSC(=S)N1CCCCC1)N2CCCCC2 Tox21_202783 -NCGC00080392-05 196704255 tox21-ror-cho-viability-p1 set1 4 1.42010762 -10.42644811 -6.03732534 0.81321402 2.49718572 -3.73632368 0.1783195 -2.67442938 -0.90444731 -4.01705244 0.20192485 0.48419461 0.2152545 -3.50352862 -0.04605079 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 732-11-6 12901 170466810 A Phosmet COP(=S)(OC)SCN2C(=O)c1ccccc1C2=O Tox21_110993_1 -NCGC00015300-10 196704256 tox21-ror-cho-viability-p1 set1 -2.1 29.8492948118 -105.9377007158 -0.841041876 -106.7787425918 3.2974983358 0.9884852308 1.9E-9 0.89761129 -0.96467644 -1.82696471 -1.8499441 -3.04428666 2.01985032 0.69456931 -6.0674021 0.17771943 1.6380551 1.58679896 -5.2454572 -4.69410009 -24.8962168 -86.39056844 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67469-78-7 104920 170466088 A Vanoxeamine Cl.Cl.Fc1ccc(cc1)C(OCCN2CCN(CC2)CCCc3ccccc3)c4ccc(F)cc4 Tox21_110125_1 -NCGC00015608-11 196704257 tox21-ror-cho-viability-p1 set1 4 0.26589638 -3.02592544 0.6989593 0.76272682 -0.88451405 0.28430586 0.50729349 -0.96785779 -1.0247494 -1.19504423 0.46381049 0.42735088 0.44199998 -4.3761063 -4.18608235 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53179-11-6 3955 170464852 A Loperamide hydrochloride CN(C)C(=O)C(CCN1CCC(O)(CC1)c2ccc(Cl)cc2)(c3ccccc3)c4ccccc4 Tox21_110180_1 -NCGC00163735-04 196704652 tox21-ror-cho-viability-p1 set1 4 4.36480165 0.07646458 4.37318022 0.8900856 0.17056612 11.53219143 3.0132311 1.15888982 -0.42884918 0.14320887 6.6407556 8.71107541 0.86827232 -1.58579514 -0.21350988 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00253656-01 196704662 tox21-ror-cho-viability-p1 set1 4 0.00650051 2.56835491 1.36042246 1.32953789 4.06724602 2.5099345 0.21353955 2.29495189 -0.88475503 -3.9046238 -5.20891874 3.17333054 1.25684563 5.28073418 4.42092187 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 302-97-6 99472 170466735 A A Etienic acid O=C(O)[C@H]3CC[C@H]2[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_113782 -NCGC00249911-01 196704664 tox21-ror-cho-viability-p1 set1 4 0.06375186 2.34631817 4.05460613 0.07369774 2.68552728 0.51691908 1.45571438 1.27018159 -2.80410978 0.03036129 0.46589228 1.57633994 0.06374262 -0.04151876 0 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 467-85-6 10090 170465674 A Normethadone CCC(=O)C(CCN(C)C)(c1ccccc1)c2ccccc2 Tox21_113687 -NCGC00263878-02 196704671 tox21-ror-cho-viability-p1 set1 4 1.15709435 0.19451023 0.0341558 -1.10764164 -1.0309834 -0.42472616 0.87465482 -1.34039123 1.25476345 -0.24923919 -0.17488998 0.82293542 0.94570884 -0.7770829 -2.01047409 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71125-38-7 54677470 170464857 A Meloxicam Cc3cnc(NC(=O)C2=C(O)c1ccccc1S(=O)(=O)N2C)s3 Tox21_111734_1 -NCGC00090756-12 196705066 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -13.107335476 1 -12.107335476 4.9549173134 0.740405598 0.0229386964 0.97706017 0.85848923 2.01617531 -0.89366853 1.46094838 -0.69878281 0.62758987 5.86966611 -0.80191966 0.45117332 2.49606848 0.53283456 1.71511472 1.51891341 -10.08944623 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127-47-9 638034 170465512 F Retinol acetate CC=1CCCC(C)(C)C=1/C=CC(\C)=C\C=C\C(\C)=C\COC(C)=O Tox21_113549_1 -NCGC00095054-05 196705073 tox21-ror-cho-viability-p1 set1 4 -3.46009064 0.82265686 -3.9421984 -1.01980001 0.13233442 -0.04436199 -0.22402352 0.19229954 -0.09856668 2.09312415 -5.40608322 -3.85828667 0.6131374 -0.42303584 2.36144375 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 102-29-4 5055 170465513 Fc Resorcinol monoacetate O=C(C)Oc1cccc(O)c1 Tox21_111406_1 -NCGC00257975-01 196715575 tox21-ror-cho-viability-p1 set2 4 1.97624062 -0.41697172 -0.21394633 0.94293794 -2.41730446 0.09005471 -2.28078866 -3.26911517 -2.46658546 -2.08333168 -1.47496365 2.17768322 0.05869445 0.50741104 0.29468814 1.187E-9 2.654E-9 5.9329999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.4829999999E-7 3.317E-7 7.417E-7 0.0000016579999999 0.000003708 0.000008292 0.00001854 0.00004146 0.000092709999999 29964-84-9 34763 144207619 B Fns Isodecyl methacrylate C=C(C)C(=O)OCCCCCCCC(C)C Tox21_200421 -NCGC00254407-01 196715161 tox21-ror-cho-viability-p1 set2 -2.4 68.5896218971 -29.707106056 2 -27.707106056 4.9549173134 0.9203081012 0.0001019551 2.16854278 0.18330261 -0.16421431 2.31731763 1.45716143 2.83144689 2.48452988 1.81296081 0.06264581 -0.20080979 1.91120573 5.24032336 4.34393592 3.50253219 -22.67258838 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 158081-99-3 9867257 144210786 A F CP-105696 O=C(O)C1(CCCC1)c2ccc5c(c2)OC[C@H](Cc3ccc(cc3)c4ccccc4)[C@H]5O Tox21_300468 -NCGC00254094-01 196715162 tox21-ror-cho-viability-p1 set2 4 0.86048828 -0.1170309 -0.14949956 -0.53100243 0.71755149 0.8063074 2.96385968 -0.43823709 0.16074572 1.96716939 1.63813724 4.22189056 6.96839054 2.80577441 2.37105612 5.191E-10 1.1609999999E-9 2.595E-9 5.803E-9 1.298E-8 2.9019999999E-8 6.488E-8 1.451E-7 3.244E-7 7.254E-7 0.000001622 0.0000036269999999 0.000008111 0.00001814 0.000040549999999 54-85-3 3767 144210513 A A Isoniazid O=C(NN)c1ccncc1 Tox21_300193 -NCGC00255053-01 196715179 tox21-ror-cho-viability-p1 set2 4 0.26400566 0.10746694 0.46855718 0.3566435 0.5456273 0.5234896 0.47299146 1.07048805 1.47027995 2.17655806 0.69674067 1.1232486 4.32137841 -0.0107841 3.23612577 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 28249-77-6 34192 144211472 A A Thiobencarb Clc1ccc(CSC(=O)N(CC)CC)cc1 Tox21_301155 -NCGC00257752-01 196715990 tox21-ror-cho-viability-p1 set2 4 1.6748382 10.42133899 -1.23671348 2.77468327 0.96038896 9.87899036 1.90267859 2.89754396 2.58690919 0.86863911 11.06523539 9.51392463 2.15255269 1.1958437 2.36112682 1.194E-9 2.6689999999E-9 5.968E-9 1.3339999999E-8 2.9839999999E-8 6.672E-8 1.4919999999E-7 3.3359999999E-7 7.4599999999E-7 0.000001668 0.00000373 0.00000834 0.00001865 0.0000417 0.00009324 619-67-0 12089 144207396 FC 4-Hydrazinobenzoic acid NNc1ccc(cc1)C(=O)O Tox21_200198 -NCGC00257648-01 196715993 tox21-ror-cho-viability-p1 set2 4 4.345069 -1.89764832 1.93503315 2.25073011 -1.6505865 -0.34473934 -2.66103956 4.85743519 -0.19108699 4.11862326 -12.79143853 -1.54084013 1.05553928 0.82232822 3.95447788 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.346E-8 3.009E-8 6.728E-8 1.504E-7 3.3639999999E-7 7.522E-7 0.000001682 0.000003761 0.0000084099999999 0.0000188 0.000042049999999 0.00009402 115-19-5 8258 144207292 A A 2-Methyl-3-butyn-2-ol C#CC(C)(C)O Tox21_200094 -NCGC00257682-01 196716003 tox21-ror-cho-viability-p1 set2 -3 79.4458592809 -55.9138448807 1.9535242815 -53.9603205992 4.9549173134 0.9874598628 3.1E-9 4.74745331 2.60245511 3.26254697 0.33575501 3.82858809 0.40309451 2.97892773 1.06462908 2.76186536 0.10691939 2.10430705 0.81526619 0.54199517 -3.5951356 -46.18206106 1.4679999999E-9 3.283E-9 7.341E-9 1.642E-8 3.6709999999E-8 8.2079999999E-8 1.835E-7 4.1039999999E-7 9.1769999999E-7 0.000002052 0.000004588 0.00001026 0.00002294 0.000051299999999 0.0001147 9004-98-2 5364713 144207326 AC A Polyoxyethylene (20) oleylether OCCOCCCCCCCC/C=C\CCCCCCCC Tox21_200128 -NCGC00258216-01 196716405 tox21-ror-cho-viability-p1 set2 4 -2.67983588 -5.04769169 -2.30084895 0.4506163 -2.87241334 -1.32917954 0.18564483 -3.63592466 1.87634656 -3.09030161 0.15328093 -2.78142384 -5.11907824 -1.70310934 -7.9590079 1.155E-9 2.582E-9 5.7739999999E-9 1.291E-8 2.887E-8 6.456E-8 1.444E-7 3.2279999999E-7 7.2179999999E-7 0.000001614 0.0000036089999999 0.00000807 0.000018049999999 0.00004035 0.00009023 144-79-6 67349 144207860 A A Chloro(methyl)diphenylsilane C[Si](Cl)(c1ccccc1)c2ccccc2 Tox21_200662 -NCGC00258277-01 196716426 tox21-ror-cho-viability-p1 set2 4 0.66735917 -1.08270536 0.61367823 2.2204062 -0.84929334 -0.69493228 1.1117859 0.23353053 2.18716065 1.30445172 -2.91927288 -2.64774346 2.98806266 2.95993735 1.87980532 1.2319999999E-9 2.755E-9 6.161E-9 1.378E-8 3.08E-8 6.8879999999E-8 1.54E-7 3.444E-7 7.7009999999E-7 0.000001722 0.000003851 0.0000086099999999 0.00001925 0.000043049999999 0.00009626 592-41-6 11597 144207921 FNS 1-Hexene C=CCCCC Tox21_200723 -NCGC00257907-01 196716454 tox21-ror-cho-viability-p1 set2 4 -4.72956392 -2.12385793 -1.22923459 -0.00488775 3.46306885 -0.40513233 -4.93773546 1.77987402 -5.0933685 -6.64383416 -1.26795072 -4.06022725 -5.68385538 -1.10398015 2.47740144 1.171E-9 2.618E-9 5.8529999999E-9 1.3089999999E-8 2.927E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.317E-7 0.0000016359999999 0.000003658 0.0000081809999999 0.00001829 0.0000409 0.00009146 723-46-6 5329 144207551 A A Sulfamethoxazole Cc2cc(NS(=O)(=O)c1ccc(N)cc1)no2 Tox21_200353 -NCGC00257999-01 196715605 tox21-ror-cho-viability-p1 set2 4 1.14610036 1.26060058 3.13297869 3.23889035 3.82064361 0.71303618 3.98124843 -0.22347291 -0.66247398 1.02220801 0.06895875 3.37354366 4.05433862 0.75467003 1.11669798 1.188E-9 2.657E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016599999999 0.000003713 0.000008302 0.00001856 0.000041509999999 0.00009282 502-44-3 10401 144207643 D 2-Oxepanone O=C1CCCCCO1 Tox21_200445 -NCGC00258364-01 196716017 tox21-ror-cho-viability-p1 set2 4 2.66992388 -0.53539431 0.6497105 -0.40696351 1.06061991 1.7591684 0.28545465 -1.13959081 2.91315609 2.58007338 3.24175302 2.66348276 2.52927081 0.90702163 2.21694933 1.226E-9 2.742E-9 6.132E-9 1.371E-8 3.066E-8 6.8559999999E-8 1.5329999999E-7 3.4279999999E-7 7.6649999999E-7 0.0000017139999999 0.000003833 0.00000857 0.00001916 0.00004285 0.000095819999999 97-63-2 7343 144208008 FC Ethyl methacrylate C=C(C)C(=O)OCC Tox21_200810 -NCGC00091775-03 196716026 tox21-ror-cho-viability-p1 set2 4 12.1971512362 -23.320250136 -1.5 -24.820250136 1.8851180601 0.6460457732 0.0663251409 -3.20893627 -13.29836541 1.18480135 -14.46147296 -0.42806327 4.17343721 1.19290136 1.84380733 -1.14171787 0.83971894 -0.00872604 -3.07751629 -25.68354178 -20.97140842 -22.14056636 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00255958-01 196727812 tox21-ror-cho-viability-p1 set3 4 2.18108059 -1.81071276 -1.42530037 7.06757237 5.52050489 -1.10456368 10.36385152 -7.35517133 1.35899602 -0.74691794 7.65729477 14.91572211 7.49123494 -1.72962746 -0.28121084 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 629-03-8 12368 144212376 F A 1,6-Dibromohexane BrCCCCCCBr Tox21_302059 -NCGC00257386-01 196727392 tox21-ror-cho-viability-p1 set3 4 1.01933762 1.43400819 0.63207318 0.4123899 1.83426425 -1.43684071 0.0395871 1.17369051 2.31003181 1.04357372 2.83532368 -1.42953593 -0.28616875 -1.26984801 -2.52816202 1.044E-9 2.335E-9 5.22E-9 1.167E-8 2.61E-8 5.8369999999E-8 1.305E-7 2.918E-7 6.5249999999E-7 0.000001459 0.000003263 0.000007296 0.000016309999999 0.000036479999999 0.000081569999999 96-83-3 3735 144213787 A A Iopanoic acid Ic1cc(I)c(N)c(I)c1CC(CC)C(=O)O Tox21_303477 -NCGC00090952-07 196727798 tox21-ror-cho-viability-p1 set3 4 6.29719934 -0.59788522 -3.02829226 5.67437327 8.22424907 -0.52066534 -1.92635034 9.28238466 0.51172772 6.33154886 2.53048021 5.36418168 -3.28206339 7.65793982 5.46835038 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00255276-01 196727805 tox21-ror-cho-viability-p1 set3 4 1.9313389 -2.98922257 5.34820348 11.44169732 8.59126409 0.0017576 -1.23272808 -0.03211 0.20297287 3.13098684 0.51514195 2.27538087 1.4145164 3.7407947 0.99816484 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33509-43-2 676486 144212312 A A 4-Amino-6-tert-butyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one O=C1N(N)C(=S)NN=C1C(C)(C)C Tox21_301995 -NCGC00256051-01 196727817 tox21-ror-cho-viability-p1 set3 4 -1.46765604 2.36531132 2.50277357 -1.36008463 2.53346326 1.40746752 -1.88981997 0.04145254 0.78724048 1.37885772 -1.38275132 -1.46768342 -3.98054097 -2.89495396 1.44401906 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-26-7 8880 144212041 Ac A N-(2-Hydroxyethyl)acetamide CC(=O)NCCO Tox21_301724 -NCGC00255403-01 196710416 tox21-ror-cho-viability-p1 set2 4 54.4826732819 9.1324610479 -2.1324610479 7 4.5044702849 0.5836406105 0.1115270342 -0.90207666 -1.9273763 -2.23773162 -7.19371754 -1.84193032 -1.03191766 -0.26656381 -0.85777278 -0.11086723 -3.12460021 -3.44877615 -0.80760229 -0.74347522 -0.3225112 6.17629887 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65405-77-8 5371102 144212009 A F (3Z)-Hex-3-en-1-yl salicylate Oc1ccccc1C(=O)OCC/C=C\CC Tox21_301692 -NCGC00257544-01 196709997 tox21-ror-cho-viability-p1 set2 4 21.6899429044 -21.893296548 2.5 -19.393296548 1.8579476909 0.9532215175 0.000005874 1.96682453 4.54739187 4.32860405 3.85554554 2.79641845 4.04366681 1.83395833 0.26795858 -0.17813474 0.00669547 1.79662122 0.10284277 -6.78985473 -13.97683218 -18.24441379 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7553-56-2 807 144211611 Iodine II Tox21_301294 -NCGC00256188-01 196710400 tox21-ror-cho-viability-p1 set2 4 4.22138644 0.40877021 -0.3596452 -1.22129609 -1.22314963 -0.71488627 -1.1646238 3.66211703 0.88550882 0.38805693 2.45346027 2.52852876 -1.73569767 -1.40638011 2.87794488 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 764-99-8 12998 144211581 F Bc {2-[2-(Ethenyloxy)ethoxy]ethoxy}ethene C=COCCOCCOC=C Tox21_301264 -NCGC00256042-01 196710412 tox21-ror-cho-viability-p1 set2 4 -1.83708522 -0.28688614 -0.17393826 -0.67761711 -2.68716143 -1.50891247 -2.0089461 1.36165198 0.04597492 1.32164922 0.56564412 -1.32181324 -1.64326589 1.53842098 0.47209225 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 623-03-0 12163 144211794 A A 4-Chlorobenzonitrile N#Cc1ccc(Cl)cc1 Tox21_301477 -NCGC00255698-01 196710815 tox21-ror-cho-viability-p1 set2 4 -0.86681929 -0.56547995 2.40014369 -3.36746052 0.21887175 -0.54675309 -0.28756118 -0.37591949 -0.79084547 -1.96427757 2.54527826 -0.16169294 4.91935482 -2.52242131 -0.54538497 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67375-30-8 3086172 144212324 A alpha-Cypermethrin Cl/C(Cl)=C/[C@@H]3[C@H](C(=O)O[C@@H](C#N)c2cccc(Oc1ccccc1)c2)C3(C)C Tox21_302007 -NCGC00256241-01 196710829 tox21-ror-cho-viability-p1 set2 4 3.11106241 -0.2139309 0.96155972 0.50374265 0.16785557 2.07934751 -0.42016786 0.21445351 0.89107864 -0.10476198 1.04964167 0.11706022 -0.26705098 1.50134266 0.56727574 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-69-6 5371002 144212623 D F alpha-Irone CC1CC=C(C)C(/C=C/C(C)=O)C1(C)C Tox21_302306 -NCGC00260246-01 196711230 tox21-ror-cho-viability-p1 set2 4 3.41823902 0.47422522 1.56245876 3.92789893 2.29036576 0.64204142 5.28155729 5.5038158 7.29567925 5.48881475 5.35034528 5.11656089 6.32617706 7.60061561 3.7952685 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.00009229 350-48-1 12077313 144209896 A A 1-Ethylpyridinium tetrafluoroborate F[B-](F)(F)F.CC[n+]1ccccc1 Tox21_202698 -NCGC00259200-01 196708772 tox21-ror-cho-viability-p1 set2 4 -0.42477962 -2.89280952 -0.9864081 -3.9563603 -1.4091038 -0.69448918 -0.94298739 -0.50749256 -0.2612214 -3.01140173 0.05797101 -0.66541321 0.02542913 3.40856735 3.75286515 1.187E-9 2.6549999999E-9 5.937E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 25360-10-5 520196 144208849 FNS tert-Nonanethiol CC(C)(S)CCCCCC Tox21_201651 -NCGC00259247-01 196708764 tox21-ror-cho-viability-p1 set2 4 -0.76920536 1.95643385 2.81665737 3.48403072 1.79472729 0.3551131 -0.441427 1.22603745 -0.00211782 0.66550682 0.7478693 1.67905174 2.73556128 8.44442548 2.46675486 1.1609999999E-9 2.595E-9 5.804E-9 1.298E-8 2.9019999999E-8 6.489E-8 1.451E-7 3.244E-7 7.255E-7 0.000001622 0.0000036269999999 0.000008111 0.00001814 0.000040549999999 0.00009068 4083-64-1 77703 144208896 D 4-Methylbenzenesulfonyl isocyanate Cc1ccc(cc1)S(=O)(=O)/N=C=O Tox21_201698 -NCGC00091351-03 196708766 tox21-ror-cho-viability-p1 set2 4 4.28797434 0.64287555 3.50121729 0.99551896 -0.99006162 0.47830772 -0.29346857 -0.74890229 3.89278578 3.39172473 0.47174373 -0.39485 -1.95547361 0.15885924 0.88406623 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00259992-01 196708768 tox21-ror-cho-viability-p1 set2 4 -6.04829251 -6.13864022 0.81949965 -5.53056174 -6.49870662 0.34909138 2.85800588 -2.25211963 3.10148135 -2.51953104 0.82933454 -5.23518674 0.52212392 0.08558014 1.79461455 1.1689999999E-9 2.614E-9 5.845E-9 1.3069999999E-8 2.9229999999E-8 6.535E-8 1.461E-7 3.268E-7 7.3069999999E-7 0.0000016339999999 0.000003653 0.000008169 0.00001827 0.00004084 0.00009133 119-90-4 8411 144209641 A A 3,3'-Dimethoxybenzidine Nc1ccc(cc1OC)c2ccc(N)c(OC)c2 Tox21_202443 -NCGC00259222-01 196708777 tox21-ror-cho-viability-p1 set2 4 0.80393811 0.8271391 3.94415517 0.58734336 3.26151752 2.93505763 3.94854113 5.61815758 -0.56421006 2.18735235 0.9969403 6.40989754 5.94366616 3.56244704 0.10010442 1.166E-9 2.608E-9 5.832E-9 1.304E-8 2.9159999999E-8 6.521E-8 1.458E-7 3.26E-7 7.2899999999E-7 0.0000016299999999 0.000003645 0.0000081509999999 0.00001823 0.00004075 0.000091129999999 50-24-8 5755 144208871 A A Prednisolone OCC(=O)[C@@]4(O)CC[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_201673 -NCGC00259249-01 196708779 tox21-ror-cho-viability-p1 set2 4 -1.94977073 4.01775167 -0.35465722 -0.05041516 -1.63586482 -0.25405496 -1.58608978 -2.17253058 3.77220046 -0.27008352 3.14871507 1.2186566 3.46186398 2.1788466 0.63940721 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004127 0.00009229 81-90-3 66494 144208898 A A Phenolphthalin Oc1ccc(cc1)C(c2ccccc2C(=O)O)c3ccc(O)cc3 Tox21_201700 -NCGC00258318-01 196702632 tox21-ror-cho-viability-p1 set1 4 0.0015355304 13.123374304 -11.623374304 1.5 4.9549173134 0.4448065296 0.2308392202 -8.85281192 1.84877466 -0.50701391 2.89033527 0.46534542 0.54703908 2.74136292 3.4294683 -0.83161234 0.08148276 -5.90001115 2.94613497 0.69718526 1.40373456 7.66152445 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 623-91-6 638144 144207962 A A Diethyl (2E)-but-2-enedioate O=C(/C=C/C(=O)OCC)OCC Tox21_200764 -NCGC00258659-01 196702622 tox21-ror-cho-viability-p1 set1 4 1.43284923 0.49143104 3.00825437 4.01191976 1.00197744 -0.00829451 12.61865804 0.04372024 5.92758127 2.33074119 -0.31314404 1.09199371 2.25139688 0.87561574 1.45852709 1.1779999999E-9 2.633E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.00000368 0.00000823 0.000018399999999 0.00004115 0.00009201 71-41-0 6276 144208305 A A 1-Pentanol CCCCCO Tox21_201107 -NCGC00257890-01 196702628 tox21-ror-cho-viability-p1 set1 4 -6.98697283 -5.75382045 -8.00570874 -4.91442415 -11.93985782 -9.98363666 -15.7038724 -8.14149847 -2.54613265 -9.75722274 -14.01423387 -11.54321564 -15.67387687 -8.1015913 -1.93999812 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.96E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 594-71-8 11673 144207534 AC C 2-Chloro-2-nitropropane CC(C)(Cl)[N+]([O-])=O Tox21_200336 -NCGC00257801-01 196702630 tox21-ror-cho-viability-p1 set1 4 2.18662197 -0.09221109 2.56918782 8.24680387 0.9963594 0.9775562 7.44479502 7.89163272 -1.77858555 1.8576609 0.3158909 3.40855262 -0.16775979 2.19168051 5.65280354 1.204E-9 2.693E-9 6.0219999999E-9 1.347E-8 3.011E-8 6.733E-8 1.506E-7 3.367E-7 7.528E-7 0.000001683 0.0000037639999999 0.000008416 0.00001882 0.00004208 0.000094099999999 80226-00-2 115089 144207445 A A (-)-Enterodiol Oc2cc(C[C@@H](CO)[C@@H](Cc1cccc(O)c1)CO)ccc2 Tox21_200247 -NCGC00258397-01 196702634 tox21-ror-cho-viability-p1 set1 4 0.0032281 2.28001994 -1.27324751 -1.54982391 4.39281973 3.95537543 0.85414325 2.34408146 5.9756823 -1.03567364 2.38153432 1.89134284 1.25016432 0.98087936 3.69144407 1.197E-9 2.677E-9 5.986E-9 1.338E-8 2.993E-8 6.6919999999E-8 1.496E-7 3.346E-7 7.482E-7 0.000001673 0.000003741 0.000008366 0.00001871 0.00004183 0.00009353 112-15-2 8165 144208041 A A 2-(2-Ethoxyethoxy)ethyl acetate CCOCCOCCOC(C)=O Tox21_200843 -NCGC00164449-04 196703060 tox21-ror-cho-viability-p1 set1 4 -0.45859781 0.75997032 0.80341639 -0.1306347 -0.69403107 -2.32326546 0.82809013 -3.13657929 -11.12303606 -7.97806828 0.05423725 -3.00718176 0.18358741 0.08896298 -0.0473513 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00260281-01 196703062 tox21-ror-cho-viability-p1 set1 4 -1.89943033 -3.04537386 -2.86010929 -6.93721688 -3.6154676 -12.07871446 -12.09033372 0.16160976 3.42679439 -6.89442225 -8.63541327 -4.84689891 -12.70762912 -9.62674179 -15.1991993 6.211E-11 1.3889999999E-10 3.106E-10 6.9439999999E-10 1.553E-9 3.4719999999E-9 7.764E-9 1.736E-8 3.882E-8 8.68E-8 1.941E-7 4.34E-7 9.705E-7 0.00000217 0.000004853 544-92-3 2724144 144209931 Copper cyanide [Cu+].[C-]#N Tox21_202733 -NCGC00256373-01 196719311 tox21-ror-cho-viability-p1 set2 4 -4.44141061 -2.96932688 2.59562109 -4.47216211 0.37825128 -1.26938982 -1.76264056 -1.12393944 -1.40644988 -0.28627269 -1.01661855 -2.60774915 -1.15123539 2.0258987 -5.20864954 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-57-7 6849 144213076 A A 1-Nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 Tox21_302759 -NCGC00256734-01 196718872 tox21-ror-cho-viability-p1 set2 4 4.8557733675 9.470357988 -6.470357988 3 4.9549173134 0.5398026844 0.1442041789 -4.57805786 -3.1668629 -14.14196499 1.6125912 -9.13929167 -11.15053078 -7.57210373 -4.36323931 -3.81027573 -7.96473847 -5.12260626 5.1279009 0.7015406 0.38308973 5.03233223 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 17351-75-6 3437285 144213037 F Ac 1,4-Bis[(ethenyloxy)methyl]cyclohexane C=COCC1CCC(COC=C)CC1 Tox21_302720 -NCGC00256665-01 196719298 tox21-ror-cho-viability-p1 set2 4 1.26721654 -0.65901479 0.10528884 -1.79430753 -4.44993656 -3.72812155 -1.55429324 -0.22897439 -2.76501056 -1.945781 -0.81196863 0.7315946 -5.38434796 -0.35406957 -0.40163026 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3057-08-7 76464 144212837 F F 5,5-Dimethyl-2-phenoxy-1,3,2-dioxaphosphinane CC2(C)COP(Oc1ccccc1)OC2 Tox21_302520 -NCGC00256536-01 196719304 tox21-ror-cho-viability-p1 set2 4 1.9786893 -0.14270174 -1.505275 2.87213069 2.74615427 5.90797164 2.27336065 3.73247542 4.54659944 5.87883037 6.3727422 6.68560864 3.34184383 5.22155238 4.66975711 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5949999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 57-06-7 5971 144213207 Fns Allyl isothiocyanate C=CC\N=C=S Tox21_302890 -NCGC00090965-04 196719714 tox21-ror-cho-viability-p1 set3 4 15.3553036427 -9.5043574399 1 -8.5043574399 2.4063783767 0.4423697564 0.2320918197 2.74751249 0.7709545 2.60506156 1.72624642 -2.7381726 2.11592004 -8.07778662 -1.374568 4.33890951 5.11623521 2.73970214 2.62733832 -8.99298254 -2.76857177 -11.2536312 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00254109-01 196719718 tox21-ror-cho-viability-p1 set3 4 10.8265175966 -20.433939356 11 -9.433939356 0.4 0.5239937032 0.1574059802 12.5543998 1.03253992 15.60180264 15.87043905 4.86186924 8.96154484 14.39865056 0.1500493 4.45769834 2.04506162 5.55936737 1.39276065 1.05746854 -0.69870705 -5.36161613 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004107 0.00009184 851916-42-2 60196412 144210583 A A MK-812 CO[C@@H]4COCC[C@@H]4[NH2+][C@H]1C[C@](CC1)(C(=O)N2Cc3cc(cnc3CC2)C(F)(F)F)C(C)C.[O-]C(=O)CCC(=O)O Tox21_300263 -NCGC00021141-05 196697504 tox21-ror-cho-viability-p1 set1 4 0.53762391 4.89602728 4.68081852 0.90097391 2.89875593 3.74279162 0.01959144 -3.35039608 0.41348232 0.70058194 2.34078983 5.09328415 4.29567609 1.34990679 3.85251761 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1176-08-5 298107 170465477 A Phenyltoloxamine citrate O=C(O)C(O)(CC(=O)O)CC(=O)O.CN(C)CCOc2ccccc2Cc1ccccc1 Tox21_110862_1 -NCGC00095129-06 196697487 tox21-ror-cho-viability-p1 set1 4 1.58205059 2.58248812 0.35289934 3.45762399 4.99111881 2.60776322 3.96416154 0.67089219 3.41657564 3.18352844 4.81713878 10.80671358 -0.05235225 0.66311109 0.87777179 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 181695-72-7 119607 170465163 A Valdecoxib NS(=O)(=O)c1ccc(cc1)c3c(C)onc3c2ccccc2 Tox21_111438_1 -NCGC00018256-06 196697501 tox21-ror-cho-viability-p1 set1 4 -6.39950184 -0.4715171 -0.95504949 0.22082246 -0.38067919 0.15392431 0.09063301 -3.09360817 -9.32309804 -2.89865886 -0.51989669 -7.38927638 -1.10541271 -0.83778999 -0.4463258 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-10-2 5748 170465282 A Oxyphenonium bromide [Br-].OC(C(=O)OCC[N+](C)(CC)CC)(c1ccccc1)C2CCCCC2 Tox21_110851_1 -NCGC00016278-10 196697500 tox21-ror-cho-viability-p1 set1 4 -0.34853444 1.03814282 0.05352313 0.37503956 -0.57983349 -3.68864312 -1.13384869 5.78129875 0.49212718 0.73246698 0.57357718 5.83151104 -0.09108497 -0.57548105 -0.61222388 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61-68-7 4044 170464813 A Mefenamic acid O=C(O)c2ccccc2Nc1cccc(C)c1C Tox21_110344_1 -NCGC00163724-03 196697507 tox21-ror-cho-viability-p1 set1 -2.4 61.130564862 -27.7496575359 0.5 -27.2496575359 4.5044702849 0.9128083144 0.0001620598 0.29802817 3.07744891 -1.42191273 -1.35663959 -2.86200023 0.15459618 0.43120008 -0.01379151 4.08932362 -1.5139812 3.1719613 0.53082094 -0.67114549 -3.22676488 -23.54138128 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00319018-01 196725901 tox21-ror-cho-viability-p1 set3 4 2.04449211 -0.81603808 2.43559859 0.61185886 -1.65062642 -1.08845408 -0.1365155 -1.12162398 -0.19290303 -0.11691958 0.8931134 -0.6296306 -3.57839758 0.01070293 0.28880548 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 105613-48-7 9552071 170465570 Z F Exametazime C/C(=N\O)[C@@H](C)NCC(C)(C)CN[C@H](C)C(\C)=N\O Tox21_113984 -NCGC00015705-07 196725485 tox21-ror-cho-viability-p1 set3 2.4 33.4914596268 23.2028207479 -1.2028207479 22 4.9549173134 0.8557457126 0.0018971772 -2.79183485 0.23556064 -0.23729162 2.13392515 -1.26452287 1.04335507 -1.13894953 -1.76726869 -0.75734652 1.17732177 -3.60671774 -2.34080713 -3.14938294 -3.91901729 18.93071616 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 19982-08-2 4054 170464999 A Memantine hydrochloride CC13CC2(C)CC(N)(C1)CC(C2)C3 Tox21_110199_1 -NCGC00253680-01 196725488 tox21-ror-cho-viability-p1 set3 2.2 12.9900172293 46.4213405271 2.237200434 48.6585409611 3.1319983358 0.8734929735 0.0010163668 3.53514398 0.40430618 -0.24582683 0.22042528 -0.27873241 3.13191769 6.88104186 9.70210202 8.10890704 6.12881776 8.91302959 -1.5627462 3.48852269 16.63696746 42.31229506 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 22252-43-3 33498 170466755 Z F 7-Aminodeacetoxycephalosporanic acid CC=1CS[C@@H]2[C@H](N)C(=O)N2C=1C(=O)O Tox21_113804 -NCGC00015060-18 196725493 tox21-ror-cho-viability-p1 set3 2.2 23.7101376556 38.452433884 1.047566116 39.5 1.5094870999 0.8466564506 0.0024927643 0.23398374 -1.22286955 -3.71036157 8.28806479 -0.35460786 0.71192137 5.46756613 -2.39787506 4.36550449 -3.53310801 2.14328228 3.32783696 10.86134442 14.22037778 31.10777413 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 446-86-6 2265 170464989 A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_110074_1 -NCGC00016023-18 196725909 tox21-ror-cho-viability-p1 set3 4 0.0211316824 8.223964956 -0.223964956 8 4.9549173134 0.4555693933 0.2194115873 -0.46596903 -0.07860806 1.30970905 -0.60330413 0.76487864 8.06153261 6.14312075 7.64016581 15.84877503 12.51477906 7.14282516 1.0159875 6.96387793 0.2538265 14.84920039 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83-67-0 5429 170465487 A Theobromine Cn1cnc2c1C(=O)NC(=O)N2C Tox21_110284_1 -NCGC00181776-02 196726312 tox21-ror-cho-viability-p1 set3 -1.2 0.026603212 -46.8439077529 1.6069438169 -45.236963936 4.9549173134 0.9427378735 0.0000175615 3.44761956 -0.70027774 1.94524859 0.98699058 -1.11843713 -33.45059078 -51.60514822 -44.63652209 -49.30819505 -38.51931306 -40.2344053 -43.89584225 -54.4135041 -32.88708093 -51.33842959 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-37-1 7188 170465709 F Dicyclopentamethylenethiuram disulfide S=C(SSC(=S)N1CCCCC1)N2CCCCC2 Tox21_113156_1 -NCGC00091044-02 196726327 tox21-ror-cho-viability-p1 set3 4 0.0051889071 -7.0417327519 5.5 -1.5417327519 4.9549173134 0.6616345566 0.058551112 3.54996742 7.50205341 0.87340521 -2.85187149 -4.20144396 0.94931214 -2.1888506 -1.65099064 -4.10507736 -3.86003605 -0.75193551 -0.61273605 0.79942333 0.19656486 -2.04566552 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00256423-01 196726733 tox21-ror-cho-viability-p1 set3 4 -0.47586358 -4.36774289 -3.85725999 -1.08601819 0.22127018 -0.06682573 0.74249813 4.80498631 1.18051035 1.25158095 -3.24862715 0.40391326 5.43021599 1.35999967 0.52216164 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.00001889 0.00004225 0.00009447 141-90-2 1269845 144213272 A A Thiouracil O=C1C=CNC(=S)N1 Tox21_302955 -NCGC00257658-01 196715727 tox21-ror-cho-viability-p1 set2 -1.1 28.1706053361 -85.8251112544 -4.389319232 -90.2144304864 2.4063783767 0.9324450871 0.0000425239 -25.86986407 -7.67651046 -4.22616447 -3.36947659 -1.23432948 -0.48371559 -4.99103586 3.46286042 0.38614687 -0.2763882 -4.36447457 -16.62306855 -26.08644498 -74.01705748 -85.4303319 1.3329999999E-9 2.981E-9 6.667E-9 1.491E-8 3.3329999999E-8 7.4539999999E-8 1.6669999999E-7 3.7269999999E-7 8.333E-7 0.000001863 0.0000041669999999 0.0000093169999999 0.00002083 0.00004658 0.0001042 20562-02-1 6537493 144207302 A A alpha-Solanine O[C@@H]9[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]9O[C@H]8[C@@H](O)[C@@H](CO)O[C@@H](OC6CC[C@@]3(C)C(=CC[C@H]2[C@@H]4C[C@@H]1N5C[C@@H](C)CC[C@@H]5[C@@H](C)[C@@H]1[C@@]4(C)CC[C@@H]23)C6)[C@@H]8O[C@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O Tox21_200104 -NCGC00258692-01 196715738 tox21-ror-cho-viability-p1 set2 4 3.60393821 2.55158405 0.36312841 1.62976185 1.28585233 5.64292298 3.06710683 1.21942664 5.98553423 -0.30498913 2.6347146 2.90370611 1.94960188 5.42416834 1.61877339 1.241E-9 2.775E-9 6.2049999999E-9 1.387E-8 3.1019999999E-8 6.9369999999E-8 1.5509999999E-7 3.4689999999E-7 7.7559999999E-7 0.0000017339999999 0.000003878 0.0000086709999999 0.00001939 0.00004336 0.00009695 142-28-9 8881 144208338 AC Fc 1,3-Dichloropropane ClCCCCl Tox21_201140 -NCGC00015727-10 196712853 tox21-ror-cho-viability-p1 set2 4 -4.39119101 -2.69819683 0.54747634 -1.31896995 -1.84737573 -1.69027489 -2.8971622 -1.42798836 -1.48652111 0.0999194 -0.01791905 0.06836806 0.42137678 -0.38007446 -1.17029268 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 32795-47-4 5358907 170466450 A Nomifensine maleate O=C(O)/C=C\C(=O)O.Nc3cccc1c3CN(C)CC1c2ccccc2 Tox21_111258_1 -NCGC00183011-01 196712841 tox21-ror-cho-viability-p1 set2 4 3.54421645 2.87324915 3.80809609 3.4472483 5.36297392 3.35880713 0.67205732 0.42276123 3.5850338 0.03539247 3.44656856 0.19545019 -0.64462299 1.14414077 0.23048608 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123258-84-4 6918106 144206831 A C Itasetron CN4[C@@H]1CC[C@H]4C[C@H](C1)NC(=O)N2c3ccccc3NC2=O Tox21_113280 -NCGC00091449-10 196712845 tox21-ror-cho-viability-p1 set2 4 -1.24512301 0.06559019 0.16538053 1.42341906 -0.02466952 0.02951555 0.23930494 -0.86673565 1.51341536 -0.70925841 0.64541923 1.32452925 -0.67524583 -0.28082257 0.03623853 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97-53-0 3314 170465464 F Eugenol Oc1ccc(cc1OC)CC=C Tox21_111134_1 -NCGC00179580-04 196712848 tox21-ror-cho-viability-p1 set2 4 5.26179868 1.0509732 1.43095431 2.65433158 2.37823353 3.105504 -0.59543451 1.19397312 0.34957256 0.67343741 -1.20950259 0.68617933 0.99478486 1.06672789 0.19420505 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-85-5 171548 170464763 A Biotin O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1 Tox21_113050_1 -NCGC00015054-12 196712858 tox21-ror-cho-viability-p1 set2 4 0.0211316824 -8.935670568 7.5 -1.435670568 0.5999999999 0.8361125477 0.0034570474 5.13948364 9.10066935 4.14987196 4.18988343 3.08325333 2.72593506 2.9971703 -0.68693946 0.33086318 -1.63011481 -1.39103696 0.10908537 -0.54062864 -2.44639214 -0.26625645 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 321-64-2 1935 170465420 C Tacrine hydrochloride Nc1c3ccccc3nc2CCCCc12 Tox21_110073_1 -NCGC00015877-11 196712863 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -12.010868384 0.5 -11.510868384 4.9549173134 0.8986149091 0.0003617595 -0.4069878 -1.12525562 -1.01714475 1.04579473 0.09234239 0.12495021 0.07362496 0.75394113 -0.51940696 0.94748501 1.13348528 1.0115381 1.21619714 0.54783441 -9.59239032 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87051-43-2 5074 170466554 A Ritanserin Fc1ccc(cc1)/C(c2ccc(F)cc2)=C3/CCN(CC3)CCC4=C(C)N=C5SC=CN5C4=O Tox21_110251_1 -NCGC00090827-04 196713271 tox21-ror-cho-viability-p1 set2 4 -0.9656388 0.65962163 0.43527164 0.12214244 0.42852765 -0.3044744 -3.03470199 -3.44465098 -2.01734681 -7.29898863 0.2286755 0.3244966 -0.6799768 -2.26061972 -2.39643212 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00319019-01 196713282 tox21-ror-cho-viability-p1 set2 -1.1 0.2113168243 -67.9282812892 -1.056064316 -68.9843456052 3.0654483358 0.9910319839 4E-10 -0.45129789 -0.05228527 -3.33991929 -0.14261485 -1.54767935 -0.42442876 -3.96193612 -24.49292329 -58.72057969 -70.97622144 -70.18276498 -74.98550519 -69.24543001 -68.14092019 -60.01824016 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 108852-90-0 11969781 170465590 B F Nemorubicin COC1CN(CCO1)C6CC(OC5C[C@@](O)(Cc4c5c(O)c3C(=O)c2c(OC)cccc2C(=O)c3c4O)C(=O)CO)OC(C)C6O Tox21_113985 -NCGC00159491-04 196725715 tox21-ror-cho-viability-p1 set3 4 0.0007497804 17.342228348 -18.842228348 -1.5 0.9999999999 0.4760177254 0.2009940275 -14.03519029 -7.44502051 -1.57687468 -2.42364983 -4.79779583 -4.22200766 1.74859357 2.09374098 -7.19088719 -6.81561193 -3.4658607 2.90492796 -2.08432732 -1.08844582 2.48807952 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1501-84-4 15165 170465164 A Rimantadine Cl.CC(N)C12CC3CC(C1)CC(C2)C3 Tox21_111712_1 -NCGC00162052-05 196725716 tox21-ror-cho-viability-p1 set3 4 2.26692855 -3.6191687 5.24631181 1.06811669 2.58840342 3.09734354 4.99666223 5.87647324 3.53056414 -2.97337579 -0.37524095 4.28964167 0.33002384 6.93799198 -3.55791338 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60414-06-4 43261 170466567 I Amiprilose hydrochloride Cl.CN(C)CCCO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1C(O)CO Tox21_111382_1 -NCGC00167426-03 196726221 tox21-ror-cho-viability-p1 set3 1.2 0.9439175816 47.043002223 3.6729164379 50.7159186609 1.331 0.9435246045 0.0000162995 -0.48955841 2.40958646 -0.27949674 5.49117332 7.08563676 9.79055372 15.05898116 0 7.57206808 27.70531501 39.52197939 46.28445641 43.08949679 50.8616783 51.90657629 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 125-86-0 517304 170465518 A Caramiphen edisylate O=S(=O)(O)CCS(=O)(=O)O.CCN(CC)CCOC(=O)C1(CCCC1)c2ccccc2.CCN(CCOC(=O)C1(CCCC1)c2ccccc2)CC Tox21_112430_1 -NCGC00090965-04 196725394 tox21-ror-cho-viability-p1 set3 4 0.1368542878 -8.851201512 5 -3.851201512 1.8579476909 0.6671042701 0.0547224639 4.29651088 -0.17930253 9.06954555 6.35540761 4.04500661 2.84592129 0.07468928 -1.00963213 -4.18874417 -8.62600126 -4.11835906 -0.44574432 -6.46221296 0.07241424 -2.55445178 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00015237-07 196725792 tox21-ror-cho-viability-p1 set3 4 0.0133331902 6.750208228 -0.250208228 6.5 1.111 0.4223425742 0.2522132323 0.58320797 -1.04184019 -0.18376628 5.13812988 1.65297243 4.22972529 3.67063436 8.18264133 13.92712504 7.84432052 1.58618879 3.60904051 7.21086632 4.32675831 6.10693142 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-83-2 5831 170464972 Z Carbachol [Cl-].C[N+](C)(C)CCOC(=O)N Tox21_112029_1 -NCGC00167447-02 196726210 tox21-ror-cho-viability-p1 set3 4 0.0118832183 -18.5003995239 -0.5 -19.0003995239 4.9549173134 0.7722705103 0.013517178 -4.6323926 1.90748386 0 0 -15.28649849 -18.89315742 -16.57255715 -10.16946188 -20.95133944 -17.87290521 -17.32245039 -15.53395164 -23.82366778 -29.58366627 -16.18510688 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-58-5 4963 170465884 A Prosultiamine Nc1nc(C)ncc1CN(C=O)C(C)=C(CCO)SSCCC Tox21_112451_1 -NCGC00256317-01 196726638 tox21-ror-cho-viability-p1 set3 4 -2.94178323 -0.35502259 1.75514565 -3.65510761 -0.49357738 -4.28446796 -0.8993343 -4.2470877 -23.40289583 -3.17459466 -0.69866192 -4.89206982 -4.97619435 -4.7803338 -24.72140571 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 607-57-8 11831 144213087 A A 2-Nitrofluorene [O-][N+](=O)c1ccc2c3ccccc3Cc2c1 Tox21_302770 -NCGC00256431-01 196727056 tox21-ror-cho-viability-p1 set3 4 -0.28603657 -1.6077508 -0.06800637 -0.91469907 4.01598352 -0.72176232 5.55766631 6.04342014 4.12371701 6.47315401 0.25019276 -3.60284815 0.26287494 0.2123254 0.04071917 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 538-23-8 10850 144213079 A Tricaprylin O=C(CCCCCCC)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC Tox21_302762 -NCGC00256077-01 196727874 tox21-ror-cho-viability-p1 set3 4 0.0243365162 -5.2965383919 4 -1.2965383919 4.9549173134 0.3698983185 0.3029266864 -1.44747541 0.55119421 6.96299461 9.2891126 -0.92135317 -3.58044866 -0.13409027 -2.49216091 -1.73672629 -3.41449421 -1.11461237 3.30200936 -0.36106047 -2.97146159 0.14480493 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5344-27-4 72921 144211938 A A 2-(Pyridin-4-yl)ethanol OCCc1ccncc1 Tox21_301621 -NCGC00256122-01 196727886 tox21-ror-cho-viability-p1 set3 4 2.65302165 1.23559742 -1.70079365 -3.02816594 -1.56482747 0.90304983 -0.96092632 -5.04174278 3.0539274 -0.17476367 4.83583724 0.35002048 0.29484089 0.65849104 -4.60826701 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68928-76-7 60196425 144212107 F Fns Bis[(2-ethyl-2,5-dimethylhexanoyl)oxy](dimethyl)stannane C[Sn](C)(OC(=O)C(C)(CC)CCC(C)C)OC(=O)C(C)(CC)CCC(C)C Tox21_301790 -NCGC00256131-01 196727888 tox21-ror-cho-viability-p1 set3 4 0.30816785 5.96297813 9.05331967 4.83350508 -0.47983816 5.95675916 0.35331766 7.64276634 1.3703606 -0.11465479 3.61516089 6.00949402 4.76567801 -2.62017968 0.18620356 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 692-86-4 12729 144212022 A Ac Ethyl undec-10-enoate O=C(CCCCCCCCC=C)OCC Tox21_301705 -NCGC00255342-01 196727889 tox21-ror-cho-viability-p1 set3 4 5.4482673282 12.78649902 -3.78649902 9 1.8616924601 0.5625459995 0.1253585059 -0.54755772 -2.12856921 -4.1262563 0.80708228 -1.00451417 -12.65029144 0.55495448 -13.15541585 -2.17751358 -0.15165405 0.30168765 1.78143678 13.22428667 8.86317705 5.82601094 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 72-33-3 6291 144212154 A A Mestranol COc3cc4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@@]1(O)C#C)c4cc3 Tox21_301837 -NCGC00167574-03 196722437 tox21-ror-cho-viability-p1 set3 4 0.2113168243 -5.590167608 -1 -6.590167608 4.9549173134 0.5870199561 0.1223691136 0.71849329 -4.81067142 -0.93494335 -0.74814553 -0.93006894 -0.92355189 -0.61371707 -0.15435559 -11.74180634 -5.84098597 -3.68650503 -8.40480549 -6.27764705 -3.99279301 3.96983755 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 90494-79-4 128918 170465603 A Xaliproden hydrochloride Cl.FC(F)(F)c1cccc(c1)C4=CCN(CCc2cc3ccccc3cc2)CC4 Tox21_112567_1 -NCGC00258939-01 196722034 tox21-ror-cho-viability-p1 set3 4 38.6100067189 14.6474168679 -2.6474168679 12 2.7202212143 0.7412491863 0.0224241353 -4.06980508 3.20486612 -0.02309377 -5.12284739 -2.81092614 -3.60440013 -3.80701962 -3.91634148 -0.55717344 -1.47701283 -4.09667232 -3.53972314 -3.83030238 6.14283368 10.36153059 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.953E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008253 0.000018449999999 0.00004127 0.00009227 81-20-9 6672 144208586 A A 1,3-Dimethyl-2-nitrobenzene Cc1cccc(C)c1[N+](=O)[O-] Tox21_201388 -NCGC00258800-01 196722050 tox21-ror-cho-viability-p1 set3 4 76.4113045955 -17.051644248 -1 -18.051644248 4.9549173134 0.6538937417 0.0623771736 -0.14483427 -4.67302939 1.94570992 1.86176288 -2.97001601 -4.47940921 1.8800187 1.08477307 -4.67665565 -1.99357133 -1.12264373 1.05617045 -1.9947892 0.32310817 -14.20970354 1.173E-9 2.6229999999E-9 5.865E-9 1.311E-8 2.9319999999E-8 6.557E-8 1.466E-7 3.2779999999E-7 7.3309999999E-7 0.0000016389999999 0.000003665 0.0000081959999999 0.00001833 0.00004098 0.00009164 137-09-7 8715 144208446 D 2,4-Diaminophenol dihydrochloride Cl.Cl.Nc1ccc(O)c(N)c1 Tox21_201248 -NCGC00015784-14 196722435 tox21-ror-cho-viability-p1 set3 4 33.4914596268 8.6587328481 0.3412671519 9 4.9549173134 0.3990522194 0.2770319759 2.3606121 -3.08036068 2.51847641 -0.6462973 1.53152258 -0.32857698 1.62427481 -0.06554768 3.77503662 2.98542821 1.34678985 -0.30491172 -4.29894404 1.12351581 7.48172096 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 75444-65-4 4847 170466281 A Pirenperone Fc1ccc(cc1)C(=O)C4CCN(CCC3=C(C)N=C2C=CC=CN2C3=O)CC4 Tox21_110220_1 -NCGC00015874-05 196722438 tox21-ror-cho-viability-p1 set3 1.2 0.3757803576 21.443225696 -11.443225696 10 3.9294729863 0.7265965839 0.0272118669 -6.40801055 -10.69058607 -8.97288351 -9.35800451 -16.20268808 -13.26340071 -10.34317904 -13.36303703 -3.88631365 20.45437559 -3.8622946 18.92330057 15.4017912 9.28096886 1.60839086 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6151-30-0 2725002 170466085 A Quinacrine Cl.Cl.O.O.CCN(CC)CCCC(C)Nc1c3cc(OC)ccc3nc2cc(Cl)ccc12 Tox21_110762_1 -NCGC00016098-11 196722448 tox21-ror-cho-viability-p1 set3 4 2.3710137656 16.0227194 -6.0227194 10 4.9549173134 0.424951548 0.2474542733 -3.50211355 -5.42998538 8.98434822 0.18372597 -10.29725001 -12.9355995 -8.9049251 -8.7443996 -5.59762148 -9.10293448 -6.59969781 19.33038369 22.69566596 -6.24187015 4.8295331 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7361-61-7 5707 170466147 A Xylazine Cc2cccc(C)c2NC1=NCCCS1 Tox21_110303_1 -NCGC00091835-10 196722450 tox21-ror-cho-viability-p1 set3 -2.1 29.8492948118 -73.4759686809 0.9374897889 -72.538478892 4.0949729863 0.8885518056 0.0005499673 0.13326809 -1.98742782 0.68607145 2.51084895 -5.66849913 -0.4108492 -7.30969831 0.33925359 6.29437586 -0.84426383 13.9263697 9.50691844 -7.67601513 -12.68485284 -61.69873241 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55-86-7 5935 170465017 Z Chlormethine Cl.ClCCN(C)CCCl Tox21_111170_1 -NCGC00178395-04 196723708 tox21-ror-cho-viability-p1 set3 4 0.3757803576 -6.642740696 -1 -7.642740696 3.1319983358 0.5812218598 0.1265146275 -2.26268852 -4.45316656 -1.74834728 -2.61175257 0.19540911 1.31701774 0.81860525 -1.07931379 -3.49625851 -9.97919868 -3.94980374 -5.27231866 -13.86895058 -6.22560456 3.50773212 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 129-77-1 8520 170465927 A Piperidolate hydrochloride Cl.CCN3CCCC(OC(=O)C(c1ccccc1)c2ccccc2)C3 Tox21_110415_1 -NCGC00091400-02 196723302 tox21-ror-cho-viability-p1 set3 4 0.1395216 0.06099418 2.82701805 4.77464377 3.25255337 1.87473789 0.06122182 3.88335301 1.23932845 -4.56161985 10.18684295 -0.80364078 2.33393404 8.00131827 10.23578307 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 109-57-9 1549517 170465680 A Allylthiourea NC(=S)NCC=C Tox21_111128_1 -NCGC00016504-09 196723304 tox21-ror-cho-viability-p1 set3 1.4 0.1333319023 20.2577919519 -10.7577919519 9.5 4.9549173134 0.9428685835 0.0000173931 -10.72298992 -10.91449343 -9.10580677 -12.29815996 -9.1952291 -11.24225773 -11.5479879 4.91956603 13.22784099 15.28729728 9.86371636 9.9414066 5.85706339 7.1744159 6.24874992 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 548-73-2 3168 170464722 A Droperidol Fc1ccc(cc1)C(=O)CCCN2CC=C(CC2)N3c4ccccc4NC3=O Tox21_110461_1 -NCGC00178480-03 196723314 tox21-ror-cho-viability-p1 set3 4 0.0530803864 -5.4042431239 0.5 -4.9042431239 3.9294729863 0.5715732618 0.1350765155 2.67885681 0.30073885 -3.44779399 -0.77422016 1.63712254 2.06695039 -5.55244845 -5.40559174 -1.29323599 -4.06511618 -3.82245574 -4.88371944 -9.08686927 -4.06604378 8.36211252 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-94-3 16051918 170464882 A (+)-Tubocurarine chloride hydrochloride [Cl-].Cl.Oc7ccc1cc7Oc5cc6[C@H](Cc4ccc(Oc2c3[C@@H](C1)[N+](C)(C)CCc3cc(OC)c2O)cc4)N(C)CCc6cc5OC Tox21_112039_1 -NCGC00166397-04 196723710 tox21-ror-cho-viability-p1 set3 -2.4 33.4914596268 -29.021831136 0 -29.021831136 4.9549173134 0.7106412427 0.0335394979 -1.19916289 -4.0210139 -3.74424894 -1.27311806 -0.52091366 -5.81159762 -3.63828167 0.84606872 -0.03804012 1.83839926 7.71529681 8.19333692 -1.667288 -0.91582614 -24.18485928 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26786-32-3 33611 170465926 D Lofepramine hydrochloride Cl.Clc1ccc(cc1)C(=O)CN(C)CCCN3c4ccccc4CCc2ccccc23 Tox21_112414_1 -NCGC00163843-03 196719463 tox21-ror-cho-viability-p1 set2 4 0.32645087 1.72691153 2.23120282 2.80584389 1.59782042 4.92544586 -0.60514267 6.69121112 7.57114969 4.6585358 3.03841648 5.31910392 2.70180552 0.29201546 -0.02211414 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00257110-01 196719425 tox21-ror-cho-viability-p1 set2 4 -1.88893929 -1.9394237 2.02331017 2.10121651 2.30346923 1.42550038 0.28582749 2.55320613 1.41375843 -0.95160534 2.70968058 2.4779964 0.83323788 1.51347887 2.68088101 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 554-00-7 11123 144213523 A Ac 2,4-Dichloroaniline Clc1cc(Cl)c(N)cc1 Tox21_303206 -NCGC00256813-01 196719426 tox21-ror-cho-viability-p1 set2 -2.4 68.5896218971 -33.281487608 2 -31.281487608 4.0949729863 0.9333719467 0.0000398208 1.68644116 0.99461904 0.25300299 1.59936964 1.63946739 2.91755471 1.30097448 5.34313783 2.20238152 1.73478756 6.18470726 -0.83087161 0.83132082 -1.62865715 -23.56790634 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3068-76-6 76476 144212788 F A N-[3-(Trimethoxysilyl)propyl]aniline CO[Si](OC)(OC)CCCNc1ccccc1 Tox21_302471 -NCGC00090987-03 196719434 tox21-ror-cho-viability-p1 set2 4 54.4826732819 -22.192834632 -0.5 -22.692834632 2.1210667061 0.9727852341 2.838E-7 -1.10483794 0.6481014 -0.60582286 -1.84614762 0.02129189 0.50912997 -0.49782896 -1.18018626 -1.41246902 -0.49561142 0.12100021 -0.95709079 -3.57146185 -7.74028116 -17.24402886 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00257244-01 196719003 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -20.790804908 -1 -21.790804908 4.9549173134 0.7426529812 0.0218907363 -3.7560723 -3.87779678 -2.61526661 -1.39097513 -2.24163538 -3.26103819 -0.99419588 0.02953495 7.0515428 0.44172447 -0.56735004 -0.3627201 0.02876952 -1.56376489 -18.15900409 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18979-55-0 29354 144213781 A A 4-(Hexyloxy)phenol Oc1ccc(OCCCCCC)cc1 Tox21_303471 -NCGC00256719-01 196719023 tox21-ror-cho-viability-p1 set2 4 3.75327196 0.14964024 4.01436604 -0.18902532 -0.19114992 -1.15051325 -0.26150602 0.86848807 -0.34392007 2.90926466 3.3671575 -0.71482581 0.27416369 3.66611082 4.16800754 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 304-20-1 9351 144212813 A A Hydralazine hydrochloride Cl.NNc2nncc1ccccc12 Tox21_302496 -NCGC00256388-01 196719452 tox21-ror-cho-viability-p1 set2 4 0.44958965 -5.03619818 -2.69133993 -1.65554937 -6.44755237 -6.95940117 1.66954396 -0.2925743 -6.73757827 -0.26027957 -0.66435286 -1.28674423 -2.0671309 -7.75988922 0.45118604 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.0000189 0.00004225 0.00009448 620-17-7 12101 144213309 A A 3-Ethylphenol CCc1cc(O)ccc1 Tox21_302992 -NCGC00256491-01 196719464 tox21-ror-cho-viability-p1 set2 4 0.66625808 1.8871715 2.38837473 3.51012958 -1.52577154 4.0882546 0.37013645 -0.78591025 5.66014071 2.8699691 6.92043443 -0.36822096 -0.02162151 0.61756321 0.55016989 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 111-71-7 8130 144213096 F Heptanal CCCCCCC=O Tox21_302779 -NCGC00256775-01 196719467 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -24.054265236 1 -23.054265236 4.0449729863 0.8937220357 0.0004408323 1.34449896 0.89338057 1.52333807 1.34958268 0.87233292 5.54883081 0.68839703 3.31474576 0.66906193 -0.27281677 -1.10340201 -1.25699467 0.16970196 -1.46170977 -17.54522103 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 3790-78-1 5320128 144212773 Cc F cis-Nerolidol C/C(C)=C\CCC(/C)=C\CCC(C)(O)C=C Tox21_302456 -NCGC00091759-02 196719861 tox21-ror-cho-viability-p1 set3 4 1.39891619 -5.1631957 7.09708453 12.83939544 8.83248079 9.8034245 -4.90074273 -6.00672911 7.16323256 11.91310512 9.50034191 7.42658959 9.99694882 2.0497423 -3.46712038 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00254568-01 196719868 tox21-ror-cho-viability-p1 set3 4 -5.48317849 -12.13146499 -0.59923451 1.51943076 -2.65738024 0.32537168 1.20284583 -7.26625681 2.78061295 -5.32450471 -4.69176692 -4.403699 3.16600091 -4.4988813 2.89355928 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 83-42-1 6740 144210977 A Ac 1-Chloro-2-methyl-3-nitrobenzene Cc1c(cccc1Cl)[N+]([O-])=O Tox21_300660 -NCGC00254608-01 196719877 tox21-ror-cho-viability-p1 set3 4 -4.93378707 -11.0297468 -1.42180572 3.85131921 -1.52402384 -1.17767991 0.46806795 -5.96379059 -7.03491374 -9.42174703 -6.00596185 -0.07958325 1.63278149 -18.90638049 -15.48306897 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 5598-13-0 21803 144211017 I F Chlorpyrifos-methyl Clc1cc(Cl)c(Cl)nc1OP(=S)(OC)OC Tox21_300700 -NCGC00254746-01 196719880 tox21-ror-cho-viability-p1 set3 4 14.0502724 -3.67184605 9.24585643 9.61313147 -6.98078687 2.68932483 11.82251942 13.27955635 12.6175542 9.95656654 7.54840823 8.84602441 9.1640942 6.41447627 7.85480158 1.7139999999E-9 3.8329999999E-9 8.571E-9 1.9159999999E-8 4.2849999999E-8 9.582E-8 2.1429999999E-7 4.791E-7 0.000001071 0.0000023959999999 0.000005357 0.00001198 0.00002678 0.00005989 0.0001339 10326-41-7 61503 144211160 D D-Lactic acid O=C(O)[C@@H](C)O Tox21_300843 -NCGC00255116-01 196728894 tox21-ror-cho-viability-p1 set3 4 -5.28646296 1.00905986 -0.70349206 -1.04002216 2.93089566 0.04828281 2.07420959 -1.18772508 2.52706384 2.68440973 -1.21082428 -3.29945797 -0.91790169 0.32665524 0.6267153 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 NOCAS_47796 712 144212755 FNS Formalin C=O Tox21_302438 -NCGC00090773-04 196728908 tox21-ror-cho-viability-p1 set3 4 1.03413221 13.57646082 -1.50707114 1.53228771 7.86028571 -6.52569385 11.97622612 17.11915612 13.77840525 4.8575476 -1.77088782 7.39782507 5.80764339 6.65262957 2.75368119 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00256257-01 196728487 tox21-ror-cho-viability-p1 set3 4 -7.01739753 -4.60588336 -3.7262645 -0.57891143 -0.581484 -6.47142702 -1.38987491 3.75010899 0.55855128 1.3000299 -3.21474026 0.35454497 -5.15378466 -1.0226817 -5.45700491 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7328-17-8 81766 144211935 A A 2-(2-Ethoxyethoxy)ethyl prop-2-enoate CCOCCOCCOC(=O)C=C Tox21_301618 -NCGC00256245-01 196728903 tox21-ror-cho-viability-p1 set3 4 1.050365 -3.73821327 -3.26573648 6.94411181 3.96305629 -5.35085003 -0.87493466 -3.93028714 -5.79900075 -2.28397399 -3.25582403 -2.82243947 -0.07866623 -3.37315593 6.7426166 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7492-70-8 24114 144212101 A A 1-Butoxy-1-oxopropan-2-yl butanoate O=C(CCC)OC(C)C(=O)OCCCC Tox21_301784 -NCGC00258279-01 196729303 tox21-ror-cho-viability-p1 set3 -1.1 8.5559507124 -97.0589974806 1.4078609479 -95.6511365327 1.01 0.9852881368 8E-9 0.15953046 1.87419542 -1.54989074 -1.64507014 2.0857968 0.0217801 2.35552336 2.15732452 -1.6805975 -14.64420322 -34.25750767 -44.27747638 -58.3234701 -87.30673133 -88.56586716 1.171E-9 2.618E-9 5.8529999999E-9 1.3089999999E-8 2.927E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.316E-7 0.0000016359999999 0.000003658 0.00000818 0.00001829 0.0000409 0.00009146 81-55-0 3378440 144207923 A B 1,8-Dihydroxy-4,5-dinitroanthraquinone [O-][N+](=O)c3ccc(O)c2c3C(=O)c1c(ccc(O)c1C2=O)[N+]([O-])=O Tox21_200725 -NCGC00258305-01 196729324 tox21-ror-cho-viability-p1 set3 4 -0.95227707 2.56300939 1.51193428 -0.87736202 1.56107873 1.38315847 2.02581802 1.32029173 3.09810202 8.54736319 -0.43070773 2.04633683 2.04488796 2.58064196 2.61583216 1.2049999999E-9 2.695E-9 6.0249999999E-9 1.347E-8 3.013E-8 6.736E-8 1.506E-7 3.368E-7 7.5309999999E-7 0.0000016839999999 0.000003766 0.0000084199999999 0.000018829999999 0.0000421 0.000094139999999 88-16-4 6921 144207949 AC F 2-Chlorobenzotrifluoride FC(F)(F)c1ccccc1Cl Tox21_200751 -NCGC00257838-01 196729327 tox21-ror-cho-viability-p1 set3 4 -2.26785471 -0.58858109 -3.79830882 -3.09904048 -4.49602878 -6.56566696 -1.88048676 0.99929408 -2.45056064 -1.08128828 0.57055895 -9.24669928 -0.26510527 -2.06898341 0.63277322 1.278E-9 2.858E-9 6.391E-9 1.429E-8 3.195E-8 7.145E-8 1.598E-7 3.573E-7 7.989E-7 0.000001786 0.000003994 0.0000089309999999 0.000019969999999 0.000044659999999 0.00009986 111-91-1 8147 144207482 D Bis(2-chloroethoxy)methane ClCCOCOCCCl Tox21_200284 -NCGC00258075-01 196729328 tox21-ror-cho-viability-p1 set3 4 1.04367671 2.89284133 1.27829405 0.81535682 1.29162591 -1.32195294 2.53514594 0.38440038 0.99745163 2.83637797 1.04347557 1.50826291 0.74462014 0.43725437 -1.7138181 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004124 0.00009223 719-22-2 12867 144207719 D 2,6-Bis-(1,1-dimethylethyl)-2,5-cyclohexadiene-1,4-dione CC(C)(C)C1=CC(=O)C=C(C1=O)C(C)(C)C Tox21_200521 -NCGC00258210-01 196729723 tox21-ror-cho-viability-p1 set3 4 -3.6266534 0 1.35558166 -0.2801513 -11.18037913 -0.57650189 -20.57502624 1.46801564 -12.4193133 -9.28042069 -4.61060964 0 -7.98805933 -2.92334508 1.02187361 1.2249999999E-9 2.739E-9 6.124E-9 1.369E-8 3.062E-8 6.8459999999E-8 1.531E-7 3.423E-7 7.6549999999E-7 0.0000017119999999 0.000003827 0.000008558 0.00001914 0.000042789999999 0.00009568 629-14-1 12375 144207854 FC Ethylene glycol diethyl ether CCOCCOCC Tox21_200656 -NCGC00258428-01 196729728 tox21-ror-cho-viability-p1 set3 4 -3.36602657 -0.6014211 -1.81444712 4.86759878 -3.0894818 -2.29975375 2.4802124 2.34165706 -3.66204685 4.56219859 2.99524618 3.50351456 0.88009254 0.95106044 5.9356391 1.214E-9 2.7139999999E-9 6.0679999999E-9 1.357E-8 3.034E-8 6.7839999999E-8 1.517E-7 3.3919999999E-7 7.5849999999E-7 0.000001696 0.0000037919999999 0.00000848 0.00001896 0.000042399999999 0.00009481 75-66-1 6387 144208072 C 2-Methyl-2-propanethiol CC(C)(C)S Tox21_200874 -NCGC00258199-01 196729731 tox21-ror-cho-viability-p1 set3 4 49.051958674 10.3026300679 -1.3026300679 9 2.1876167061 0.5807006479 0.1130381555 -4.41885839 -4.39225432 0.60846419 2.0875829 -2.09323641 -3.10915316 -2.22694023 -3.41466543 1.8931423 -0.02699616 0.20793228 -2.01963242 -0.10017064 2.99113045 7.12680941 1.19E-9 2.661E-9 5.949E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003718 0.000008314 0.00001859 0.00004157 0.000092959999999 141-97-9 8868 144207843 A A Ethyl acetoacetate CC(=O)CC(=O)OCC Tox21_200645 -NCGC00090721-03 196729733 tox21-ror-cho-viability-p1 set3 4 0.73160142 1.15696412 2.51952249 2.81115537 0.46226347 -0.56568746 1.11953319 -3.55216151 3.41618616 3.59541695 4.35438018 0.1424472 -1.78517054 -3.31530676 -2.08271344 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00258473-01 196730137 tox21-ror-cho-viability-p1 set3 4 0.47081253 -4.64507006 -2.43336488 0.62886022 -2.20960223 0.5956326 0.99981405 -1.12309675 0.60111787 -10.44927514 0 -0.02274221 -5.86015961 3.09649812 2.91979583 1.206E-9 2.697E-9 6.032E-9 1.349E-8 3.016E-8 6.744E-8 1.5079999999E-7 3.372E-7 7.54E-7 0.0000016859999999 0.00000377 0.000008429 0.00001885 0.000042149999999 0.000094239999999 617-84-5 12051 144208117 A A Diethylformamide CCN(CC)C=O Tox21_200919 -NCGC00256033-01 196700393 tox21-ror-cho-viability-p1 set1 4 24.2622881052 4.4978625759 -0.4978625759 4 4.9549173134 0.341172094 0.3331048289 0.61195414 -0.40281361 -3.82187001 0.35742023 2.66092608 -2.09237574 0.6336043 0.296557 0.69563262 0.69951275 -6.66488548 0.69526704 0.03736078 5.01400396 3.24827811 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 2212-32-0 75171 144212038 A Ac 2-{[2-(Dimethylamino)ethyl](methyl)amino}ethanol CN(C)CCN(C)CCO Tox21_301721 -NCGC00255273-01 196700395 tox21-ror-cho-viability-p1 set1 4 -0.59126046 1.31942351 1.55058923 1.61552246 5.9949943 -0.92983835 2.1256341 -1.74020628 2.1125317 -1.1370331 -0.27097695 2.43626628 3.54168541 0.59645731 1.79892606 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60599-38-4 43371 144211552 A A N-Nitrosobis(2-oxopropyl)amine O=C(C)CN(CC(=O)C)N=O Tox21_301235 -NCGC00256195-01 196700398 tox21-ror-cho-viability-p1 set1 4 0.05706005 1.06749736 -0.24881588 -0.78054562 -4.35504391 0.07188547 0.31713329 -2.05970678 -0.16809231 -4.15856207 -3.93758995 3.33539391 -2.5002958 0.09184187 0.67258976 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6837-24-7 81278 144211784 A A 1-Cyclohexylpyrrolidin-2-one O=C2CCCN2C1CCCCC1 Tox21_301467 -NCGC00255119-01 196700807 tox21-ror-cho-viability-p1 set1 4 -3.48530411 -1.06849074 -4.57431297 -1.31957404 0.84699347 -0.70237029 -4.48388976 0.20256436 -1.31940439 -1.51392664 0.64639847 -1.32914925 -2.19341582 -0.93848782 -2.94295169 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 363-17-7 9690 144212208 A A N-(2-Fluorenyl)-2,2,2-trifluoroacetamide FC(F)(F)C(=O)Nc1ccc2c3ccccc3Cc2c1 Tox21_301891 -NCGC00256233-01 196700812 tox21-ror-cho-viability-p1 set1 4 0.0086349218 5.6389452039 -4.6389452039 1 1.4641 0.5205309233 0.1638138482 -5.85656846 -0.35933 -6.36578767 1.38911279 -0.26777258 0.34410193 1.6753022 -0.37858263 1.37294668 -0.21604579 1.76090762 0.74098529 -0.52802903 3.78011914 1.16354528 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16691-43-3 2723869 144211926 F 5-Amino-1,2-dihydro-3H-1,2,4-triazole-3-thione S=C1N=C(N)NN1 Tox21_301609 -NCGC00255890-01 196700813 tox21-ror-cho-viability-p1 set1 4 6.47041731 0.53096234 2.33541975 4.68798161 4.98841756 5.83847197 0.2736591 -0.03184349 0.1803509 0.03320575 -0.34626609 1.40752453 -3.7768417 7.51514197 2.49154601 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7789-41-5 24608 144212176 Calcium bromide Br[Ca]Br Tox21_301859 -NCGC00255536-01 196700818 tox21-ror-cho-viability-p1 set1 4 2.70979591 0.38115557 2.03170417 2.64101645 5.4044606 2.66063113 0.11388696 -1.43287684 0.32417788 5.40979797 -2.24503013 3.84264794 0.68972844 8.53940154 6.4188456 9.615E-10 2.15E-9 4.807E-9 1.0749999999E-8 2.404E-8 5.3749999999E-8 1.202E-7 2.6869999999E-7 6.0089999999E-7 0.000001344 0.0000030049999999 0.000006719 0.000015019999999 0.00003359 0.00007512 2870-32-8 17880 144211796 Bc C.I. Direct Yellow 12 [Na+].[Na+].O=S([O-])(=O)c3cc(ccc3C=Cc2ccc(/N=N/c1ccc(OCC)cc1)cc2S([O-])(=O)=O)/N=N/c4ccc(OCC)cc4 Tox21_301479 -NCGC00255932-01 196700825 tox21-ror-cho-viability-p1 set1 4 0.0121971512 4.328446948 -4.328446948 0 4.9549173134 0.4007165388 0.2923097306 -0.72620485 -6.52370579 -5.22453078 -1.61501243 1.0207239 -0.00153793 4.67691707 0.56374624 0.29591167 -1.3190221 -4.15874321 -0.92104525 -0.10509988 0.35368468 -6.12551144 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-00-2 6621 144211983 A A 4-Chlorophenyl phenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccccc2 Tox21_301666 -NCGC00255191-01 196701223 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -17.041263292 -0.5 -17.541263292 4.9549173134 0.3756003322 0.2956233532 -10.14826051 -1.45135466 1.28123071 3.71447062 4.20517295 3.31999746 -6.76606853 2.12087596 -0.43879015 -7.51300831 1.66661059 1.04387916 -3.47650121 3.20343684 -14.61771941 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2495-37-6 17236 144212029 A A Benzyl methacrylate C=C(C)C(=O)OCc1ccccc1 Tox21_301712 -NCGC00255401-01 196701224 tox21-ror-cho-viability-p1 set1 4 0.17869596 -3.24304267 -7.18549907 -4.36867596 -3.33922221 0.69347171 -3.45132352 -3.09985065 5.40303349 -1.40177087 -1.16959534 0.93110656 -2.72330541 -3.89099526 -0.48387909 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 61-68-7 4044 144212300 A A Mefenamic acid O=C(O)c2ccccc2Nc1cccc(C)c1C Tox21_301983 -NCGC00258148-01 196701640 tox21-ror-cho-viability-p1 set1 -2.1 34.6561032477 -78.8115358901 -3.2098462039 -82.021382094 1.9673362061 0.9704276428 4.472E-7 -1.26131175 -3.5669571 0.55681478 -2.78780027 -1.24820964 1.68534234 -2.51912888 -0.68442556 -3.69470418 -7.57192497 -11.25146704 -11.94110038 -19.09741721 -49.48418297 -80.4131197 1.188E-9 2.6549999999E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 404001-48-5 53316407 144207792 A A 1-Dodecyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C[n+]1ccn(CCCCCCCCCCCC)c1 Tox21_200594 -NCGC00016229-14 196698154 tox21-ror-cho-viability-p1 set1 4 0.41087641 1.73145303 3.53972845 1.37201743 4.13494509 2.88662695 2.36986084 -0.13846241 0.3089811 -1.12650639 1.35874014 1.13231668 -4.43540259 0.11602909 1.08308945 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-52-5 657298 170464965 A Propylthiouracil S=C1NC(CCC)=CC(=O)N1 Tox21_110882_1 -NCGC00015437-17 196697742 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -13.999965632 0.5 -13.499965632 4.9549173134 0.453920987 0.2217222439 -5.73697058 -1.82969895 2.69620912 -2.98881291 -1.97157401 0.18444828 -1.92695197 7.11250056 1.99354216 2.00506215 3.09261834 3.19210986 -2.75188752 0.48482789 -11.24997136 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 49562-28-9 3339 170464718 A Fenofibrate O=C(c1ccc(Cl)cc1)c2ccc(OC(C)(C)C(=O)OC(C)C)cc2 Tox21_110147_1 -NCGC00016408-09 196697743 tox21-ror-cho-viability-p1 set1 4 -0.75392961 1.69173273 4.12112431 3.05908653 1.29004344 0.86952914 0.19463216 1.3620644 1.26160866 0.11285947 2.86245324 2.65556251 2.3085118 0.1562262 2.16896652 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 144-83-2 5336 170464707 A Sulfapyridine O=S(=O)(Nc1ccccn1)c2ccc(N)cc2 Tox21_110426_1 -NCGC00182076-03 196697750 tox21-ror-cho-viability-p1 set1 4 -1.57714227 2.33471112 -1.0532639 2.14070145 0.11183109 1.09122043 -0.64697872 2.79585348 -1.25252198 2.64374727 1.59744663 1.3103755 -0.18056849 1.13215048 0.26502836 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 346-18-9 4870 170465068 A Polythiazide NS(=O)(=O)c2cc1c(NC(CSCC(F)(F)F)N(C)S1(=O)=O)cc2Cl Tox21_113137_1 -NCGC00090764-04 196698156 tox21-ror-cho-viability-p1 set1 4 -0.8378597 -5.59704887 -5.09247878 -2.19826961 -1.70179312 -0.80180403 -1.49879914 1.84062236 1.05171535 0.21891063 0.00072918 -1.91740142 2.2249573 0.46680585 -1.50867065 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21245-02-3 30541 170465499 A 2-Ethylhexyl 4-(dimethylamino)benzoate CN(C)c1ccc(cc1)C(=O)OCC(CC)CCCC Tox21_111013_1 -NCGC00253683-01 196698162 tox21-ror-cho-viability-p1 set1 4 -4.36295466 -0.03260199 1.78744864 2.56544885 -4.0499397 -0.95701138 -1.34713862 4.78995526 -7.72934765 2.23482303 3.27672626 3.22668807 2.11055148 2.0836527 3.40829888 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 78834-75-0 3018793 170466713 F A Ethyl 7-chloro-2-oxoheptanoate O=C(CCCCCCl)C(=O)OCC Tox21_113807 -NCGC00091839-03 196698163 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -39.861758148 -1 -40.861758148 3.6272481694 0.9228922035 0.0000856755 -2.53986841 -1.7789857 1.48877874 -0.66740533 -5.85209109 -2.51009343 0.39520543 0.92660295 -1.22807793 1.79564601 0.39730413 -1.43256658 -5.41360226 -5.6889307 -30.71813179 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00021575-05 196698166 tox21-ror-cho-viability-p1 set1 4 1.05265802 5.11579018 4.30661002 0.75345375 7.54699399 3.51818545 2.89425114 4.3799051 1.55237782 -0.41551484 9.87435268 3.83080065 7.79604537 6.65026914 -0.09041883 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 426-13-1 9878 170464629 A Fluorometholone CC(=O)[C@@]4(O)CC[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3C[C@H](C)C1=CC(=O)C=C[C@@]12C Tox21_110440_1 -NCGC00094754-05 196698170 tox21-ror-cho-viability-p1 set1 4 0.96402577 -2.06401833 1.42715886 0.97702888 -1.94797223 1.08148187 -1.40674168 1.3359687 0.30450453 1.33287971 1.89308162 5.787675 -0.29648031 6.18983498 0.76875619 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63-98-9 4753 170465322 A Phenacemide O=C(Cc1ccccc1)NC(N)=O Tox21_111325_1 -NCGC00179308-04 196698567 tox21-ror-cho-viability-p1 set1 4 29.8492948118 -19.542782256 2 -17.542782256 3.2974983358 0.8189275745 0.0052694257 3.84928378 6.02075127 0.85657872 4.71335258 1.63077949 2.43871419 2.16490455 1.50144655 0.85342198 0.03924696 1.83636357 0.65402763 -2.35329535 -1.59791958 -13.78565188 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80474-14-2 54580 170464975 A Fluticasone propionate O=C(SCF)[C@@]4(OC(=O)CC)[C@H](C)C[C@H]3C2C[C@H](F)C1=CC(=O)C=C[C@]1(C)[C@@]2(F)[C@@H](O)C[C@@]34C Tox21_110698_1 -NCGC00090721-03 196698983 tox21-ror-cho-viability-p1 set1 4 2.73475171 4.39482673 -0.79223804 1.48971214 -0.62525484 1.32379555 2.64918503 0.44171975 0.40213802 3.60409499 -0.96663391 2.66556135 5.02811897 1.90958961 -0.09997931 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00091044-02 196699400 tox21-ror-cho-viability-p1 set1 4 0.17328515 0.69462011 1.50926705 1.60482901 0.13466057 -1.90050238 0.74021381 1.88494383 -0.55542213 1.63201476 2.07745409 0.20644068 0.66780641 0.60877917 0.29783436 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00253998-01 196720648 tox21-ror-cho-viability-p1 set3 4 68.5896218971 21.8043783599 -3.3043783599 18.5 4.0949729863 0.6247536482 0.0801138152 -8.4172534 -13.1703153 -2.28168189 -4.95774946 -0.7855966 -2.58826834 -1.74648212 -3.69885993 -0.97650685 0.00270786 -2.12837993 -1.50455206 -1.31375408 -1.26640854 13.59803031 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-62-3 7059 144210639 FNS Ac 6-Methylquinoline Cc1ccc2ncccc2c1 Tox21_300320 -NCGC00260027-01 196724515 tox21-ror-cho-viability-p1 set3 4 -0.30792027 3.29720111 7.21196187 4.29197464 6.61228354 7.16940124 3.90407094 5.05145564 4.82085038 2.98073626 1.1983419 0.3584341 4.33737271 -0.31124724 8.60641776 1.212E-9 2.71E-9 6.059E-9 1.3549999999E-8 3.03E-8 6.775E-8 1.515E-7 3.387E-7 7.5739999999E-7 0.0000016939999999 0.000003787 0.000008468 0.00001894 0.00004234 0.00009468 619-66-9 12088 144209676 A A 4-Carboxybenzaldehyde OC(=O)c1ccc(C=O)cc1 Tox21_202478 -NCGC00260296-01 196724512 tox21-ror-cho-viability-p1 set3 4 0.0450981025 6.5837740559 -4.0837740559 2.5 1.752947691 0.6055717386 0.0938824311 -6.96040236 -2.0502864 0.42872942 -5.32702915 -7.98647838 -2.91016298 0.44323186 -1.71971475 3.20751405 3.86114271 0.75808556 -0.17170909 2.15855307 1.55747337 5.24969609 2.8959999999E-10 6.4749999999E-10 1.448E-9 3.237E-9 7.2389999999E-9 1.6189999999E-8 3.62E-8 8.094E-8 1.81E-7 4.0469999999E-7 9.049E-7 0.000002023 0.000004524 0.000010119999999 0.00002262 629-73-2 12395 144209946 Fns 1-Hexadecene CCCCCCCCCCCCCCC=C Tox21_202748 -NCGC00260592-01 196724930 tox21-ror-cho-viability-p1 set3 4 -9.36881177 0.43160448 -0.76548231 -12.16824162 0.03286353 0.03238676 -0.08013713 -0.27728682 -3.04629886 -0.58321147 -5.19139968 -0.90426492 3.44168258 1.33052875 0.23087235 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49488 144210245 M M NTP Mix48 CT1 3-EQP Tox21_203047 -NCGC00260217-01 196724516 tox21-ror-cho-viability-p1 set3 4 15.4177870495 13.274893484 -4.274893484 9 0.5 0.4880935599 0.189939205 1.83621032 -0.37427411 -9.39574457 -8.33572862 -3.21251947 -9.1083406 -1.30801768 -1.13029688 0.33307378 -1.20728746 1.82752338 0.59410802 0.16556089 3.42895044 7.08979583 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004135 0.00009247 88840-42-0 60196385 144209867 A A 1-Methyl-1-propylpiperidinium bromide [Br-].CCC[N+]1(C)CCCCC1 Tox21_202669 -NCGC00260550-01 196724519 tox21-ror-cho-viability-p1 set3 4 0.001333319 13.5096169999 -14.5096169999 -1 1.0999999999 0.5932280101 0.1028073878 -12.0913475 -6.50444558 -4.23532595 -2.80600588 -2.60035568 -3.72440451 -3.17705082 0.77669115 -0.07508624 -2.77795937 1.49368237 -2.91031908 -6.35900561 3.02428362 2.24082353 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49446 144210203 M M NTP Mix58 CT1 62-EQP Tox21_203005 -NCGC00255324-01 196709880 tox21-ror-cho-viability-p1 set2 4 7.14753464 4.4044134 0.06193408 4.17310404 3.56522386 3.28734078 1.96188397 -0.38546248 -0.84454761 1.28637719 1.53681839 0.18869471 0.41547066 0.326362 1.56007004 1.286E-9 2.8749999999E-9 6.4289999999E-9 1.438E-8 3.2149999999E-8 7.1879999999E-8 1.607E-7 3.594E-7 8.0369999999E-7 0.000001797 0.0000040179999999 0.000008985 0.00002009 0.00004493 0.00010049999999 4979-32-2 21080 144211575 A Ac N,N-Dicyclohexyl-2-benzothiazolesulfenamide c1cccc2sc(nc12)SN(C3CCCCC3)C4CCCCC4 Tox21_301258 -NCGC00259160-01 196709471 tox21-ror-cho-viability-p1 set2 4 -0.13333365 -0.06347774 0.93479056 -1.93717273 -3.48131065 -1.07425864 -3.38612787 -1.50128128 -1.37621473 0.83478931 -2.85253366 -2.8087036 -3.26648473 -0.58826643 -3.14277082 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 122-39-4 11487 144208809 A A Diphenylamine c1ccccc1Nc2ccccc2 Tox21_201611 -NCGC00255117-01 196709894 tox21-ror-cho-viability-p1 set2 4 -2.68584449 -4.89226565 -0.80500072 -0.29815757 1.73339073 -0.72996206 -1.58172376 0.92977501 0.57318611 -1.9660818 -0.06599196 -1.04421222 -0.49167157 2.45455454 0.75618933 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7647-10-1 24290 144211683 Palladium(II) chloride Cl[Pd]Cl Tox21_301366 -NCGC00255794-01 196710292 tox21-ror-cho-viability-p1 set2 4 -6.4760138 -0.51174696 -0.97091956 -1.53802321 -2.98438996 -3.76303341 -1.76101812 -6.77455362 0.75104006 -2.9846937 -3.5485069 0.02394328 -1.98669575 -2.64874325 -1.94275339 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 143-24-8 8925 144212464 A A 2,5,8,11,14-Pentaoxapentadecane COCCOCCOCCOCCOC Tox21_302147 -NCGC00255636-01 196710300 tox21-ror-cho-viability-p1 set2 4 4.43991269 1.46936527 1.59069355 4.44022307 -0.08657983 0.14762412 1.86145506 0.06876876 1.53068986 2.3885722 0.99636341 2.46848949 0.51548019 1.52113009 0.04785684 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 565-62-8 5364579 144212674 F 3-Methyl-3-penten-2-one C\C=C(/C)C(C)=O Tox21_302357 -NCGC00255290-01 196710305 tox21-ror-cho-viability-p1 set2 4 4.39246556 -3.0586425 -0.26779068 0.47790416 -4.50662126 0.0134743 0.5916407 1.04955967 -0.18061127 1.01445103 0.57744515 0.51116036 0.8213601 0.8608466 0.3783301 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-11-5 6518 144212064 F Fns Pentaerythritol tetranitrate O=[N+]([O-])OCC(CO[N+](=O)[O-])(CO[N+]([O-])=O)CO[N+]([O-])=O Tox21_301747 -NCGC00255541-01 196710310 tox21-ror-cho-viability-p1 set2 4 -0.00630706 -0.31844581 -1.3370177 1.44832132 0.89985906 5.34952834 -1.23643899 3.50607075 0.02189029 2.57212925 -0.44637606 0.08849589 -1.08591713 1.68389201 3.05239778 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2627-95-4 75819 144212043 Fns 1,3-Divinyl-1,1,3,3-tetramethyl disiloxane C[Si](C)(O[Si](C)(C)C=C)C=C Tox21_301726 -NCGC00255270-01 196710315 tox21-ror-cho-viability-p1 set2 4 3.71662455 -1.36861982 -0.80099026 1.08403842 -0.06090389 -0.70657942 1.27738329 1.45916019 1.50176908 0.9195126 0.58688963 -0.24228923 0.53861376 0.77342426 2.96137134 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 6145-73-9 22522 144212738 A B Tris(2-chloropropyl) phosphate ClC(C)COP(=O)(OCC(Cl)C)OCC(C)Cl Tox21_302421 -NCGC00255757-01 196710712 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -14.095321972 -1.5 -15.595321972 3.9899729863 0.5365024573 0.1480872404 -2.5128101 -2.13042921 1.24019523 -0.97928227 0.59114539 -1.33911539 -9.17822849 -0.81340533 -1.27285053 2.05676713 -1.03108329 -3.67288199 -0.56531321 -2.73819794 -12.16276831 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13171-00-1 61585 144211859 A Ac 1-(6-tert-Butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethanone CC(=O)c2cc(cc1c2CCC1(C)C)C(C)(C)C Tox21_301542 -NCGC00163903-03 196707415 tox21-ror-cho-viability-p1 set1 4 1.50426256 4.04995616 -0.87729621 3.88498745 1.41224832 -2.37745598 -0.64778089 2.22678145 3.13740619 -2.27970416 -0.19875038 4.72447978 4.25143119 0.07799604 5.17687326 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00257096-01 196707013 tox21-ror-cho-viability-p1 set1 4 -2.82903069 -0.57381038 -0.29524566 -0.08395535 2.32717532 0.80921769 10.20965153 -0.85763729 5.50656203 0.91026123 0.71707982 11.075421 5.75861887 -3.42309405 10.88717261 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-41-4 8183 144213620 F Fns 1-Dodecene CCCCCCCCCCC=C Tox21_303303 -NCGC00091775-03 196707015 tox21-ror-cho-viability-p1 set1 -1.2 6.1130564862 -27.256830404 -0.5 -27.756830404 4.9549173134 0.9388449547 0.0000250652 -4.1961016 0.34009224 -1.87714867 0.6420875 -4.11304825 0.13397142 -0.12695561 -0.16744358 0.11034626 -0.60819134 0.3249699 -24.54820103 -34.72981156 -25.38437511 -22.41230888 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00257055-01 196707409 tox21-ror-cho-viability-p1 set1 4 -7.42189885 0.75953992 -7.95034607 -6.19892343 -6.10749427 -10.27678054 1.71854424 1.46476395 -7.41922466 -14.11098146 -1.29896559 -8.63097195 -0.47477025 1.5843949 -0.07000667 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 760-67-8 79103 144213575 F F 2-Ethylhexanoyl chloride CCCCC(CC)C(Cl)=O Tox21_303258 -NCGC00090721-03 196707242 tox21-ror-cho-viability-p1 set1 4 68.4501412252 -22.677725896 3.5 -19.177725896 3.2974983358 0.7969330508 0.0085570862 4.11056352 0.42442588 3.01604061 -0.34993331 2.28994547 1.79545428 7.03188363 6.70995663 6.33279306 3.57691766 1.86209354 2.44813993 2.79660771 0 -13.06477158 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.0000016459999999 0.00000368 0.000008228 0.000018399999999 0.000041139999999 0.000091989999999 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00258822-01 196706832 tox21-ror-cho-viability-p1 set1 4 26.9454243393 12.766238504 -8.766238504 4 0.7999999999 0.3206298199 0.3484639302 -0.48541246 -4.42004338 -12.98353976 -7.00635979 -13.35640138 -8.69476717 -9.90062607 -16.47186542 -7.48349267 -5.98357177 -2.68449368 -1.2744609 -9.91494795 -1.32864799 2.44916995 1.167E-9 2.6109999999E-9 5.837E-9 1.305E-8 2.919E-8 6.5259999999E-8 1.459E-7 3.2629999999E-7 7.297E-7 0.0000016319999999 0.000003648 0.0000081579999999 0.000018239999999 0.000040789999999 0.000091209999999 111-21-7 8098 144208468 A A Triethylene glycol diacetate O=C(C)OCCOCCOCCOC(C)=O Tox21_201270 -NCGC00257312-01 196707231 tox21-ror-cho-viability-p1 set1 4 0.0385707789 -7.156420812 -5.946969392 -13.103390204 0.8999999999 0.419744364 0.2712977622 -4.53914116 -8.02199376 -8.66372 -6.01790623 -9.13036807 -12.60425141 -8.54777565 -11.27486472 -12.40403908 -18.00282517 -15.66609327 -14.97500369 -13.58526394 -4.91392116 -9.80614196 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 460081-99-6 10160166 144213721 B B PharmaGSID_48510 O=C(O)c1cc(ccc1)N(Cc2cccnc2)c3ccc(OC(F)F)c(OC(F)F)c3 Tox21_303410 -NCGC00256642-01 196707234 tox21-ror-cho-viability-p1 set1 4 -2.95549761 -12.62889882 0.98192615 -0.11731937 -5.03033154 -10.16581769 0.6857242 -3.01502161 -0.1572057 1.43419066 -2.14926618 1.52037609 0.71401447 -0.36069085 -4.52939677 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16728-49-7 85576 144212767 A D 3-(Octyloxy)propanenitrile CCCCCCCCOCCC#N Tox21_302450 -NCGC00091278-03 196707248 tox21-ror-cho-viability-p1 set1 4 0.0043277126 11.501126328 -8.001126328 3.5 0.4 0.4897048557 0.2070418297 -4.94886512 1.2476364 -5.83427194 -0.49566174 0.74550662 2.57119315 -0.49763039 -1.87377666 3.78161788 4.93476826 2.77183781 5.02210693 1.69943731 1.59818039 -1.66465852 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00257500-01 196707641 tox21-ror-cho-viability-p1 set1 -2.1 60.8819825247 -73.5500917329 -0.7066658309 -74.2567575638 4.5044702849 0.9769457074 1.078E-7 -0.90459588 -0.31479298 -2.69143522 2.43970802 1.92523404 2.39502813 2.57716818 -0.22651522 -2.83090101 -0.3544421 -5.5828419 -3.00456941 -4.70522085 -10.6031443 -64.48949013 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.315E-8 2.94E-8 6.573E-8 1.4699999999E-7 3.2869999999E-7 7.3489999999E-7 0.000001643 0.0000036749999999 0.000008217 0.00001837 0.00004108 0.00009187 24169-02-6 68589 144213703 A A Econazole nitrate [O-][N+](=O)O.Clc3ccc(C(OCc1ccc(Cl)cc1)Cn2ccnc2)c(Cl)c3 Tox21_303391 -NCGC00163930-04 196707649 tox21-ror-cho-viability-p1 set1 4 4.50274302 -0.33915698 4.13148706 0.69761391 0.59389071 -5.36956956 6.33823111 -5.74613808 0.68879698 -5.13394979 -3.58216792 1.42413639 1.30992331 -0.43745066 9.61483955 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.000001648 0.000003684 0.000008238 0.00001842 0.00004119 0.000092099999999 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00257344-01 196707660 tox21-ror-cho-viability-p1 set1 4 -2.50744423 -9.53877166 0.30991741 -1.40715964 -1.78363755 0.6412155 -0.96347288 -0.38178348 1.15459407 -2.43524482 -2.9456683 -1.1420259 -3.08777762 -0.4135425 0.00297548 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 288-32-4 795 144213662 A A Imidazole c1cncn1 Tox21_303345 -NCGC00256552-01 196708059 tox21-ror-cho-viability-p1 set1 4 1.37238211 2.73145045 1.33290968 2.11116468 1.14797423 3.62771205 1.87286144 -0.93668341 -4.8497869 5.02974623 0.80756081 -2.14669654 1.6015469 0.23939494 0.47146672 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 150-76-5 9015 144213193 A A 4-Methoxyphenol Oc1ccc(OC)cc1 Tox21_302876 -NCGC00274071-01 196705174 tox21-ror-cho-viability-p1 set1 4 -1.71004666 -3.44733177 -3.69129039 -1.23082108 -3.03159862 -1.01167673 -1.64565343 0.57577872 -1.08009713 -0.13662393 -5.01866895 0.23590313 1.16416929 0.31314219 -1.61728067 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 130-95-0 8549 170465032 A Quinine COc1cc2c(cc1)nccc2[C@@H](O)[C@@H]4CC3CCN4C[C@@H]3C=C Tox21_112389_1 -NCGC00015335-17 196704770 tox21-ror-cho-viability-p1 set1 4 14.9600854925 9.0885508799 -1.0885508799 8 1.4487170999 0.7086634822 0.0352702263 -3.8237924 -0.66934399 0.79393097 0.93142895 -3.58614911 -0.12811718 -1.23291354 -0.23817731 -1.70722638 -0.60572856 -2.88779547 -0.29835219 3.56309107 3.06732937 7.10540953 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-73-1 3100 170466857 A Diphenhydramine hydrochloride CN(C)CCOC(c1ccccc1)c2ccccc2 Tox21_110127_1 -NCGC00164491-02 196704773 tox21-ror-cho-viability-p1 set1 4 18.8336317891 7.891033944 -1.891033944 6 3.9294729863 0.5172874164 0.1658744254 -2.67060544 -3.36058006 -3.17846082 0.55138796 -1.53239426 0.30931552 -3.37455905 -1.2884218 0.13219023 2.17015078 -4.46798571 -1.36693741 -5.32586162 3.32979777 5.41201218 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59160-29-1 42963 170466325 D Lidofenin O=C(Nc1c(C)cccc1C)CN(CC(=O)O)CC(=O)O Tox21_112129_1 -NCGC00257132-01 196727204 tox21-ror-cho-viability-p1 set3 -2.4 48.5577336745 -23.869772488 0.5 -23.369772488 3.0654483358 0.9735084749 2.417E-7 -0.92972841 0.23559402 1.5492886 0.85118901 -0.38120946 -0.44987061 0.70840355 -1.20970651 1.42235905 1.88723121 -0.13097667 1.18047679 -0.02901602 -8.89986243 -20.30814374 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 136-35-6 8689 144213566 F F Diazoaminobenzene N(=N/Nc1ccccc1)\c2ccccc2 Tox21_303249 -NCGC00263455-01 196726375 tox21-ror-cho-viability-p1 set3 4 1.4003812 -2.4996148 -3.17834893 -1.7775749 -5.80641703 -7.91010411 1.27764225 0.94802788 -5.16323727 -3.70079093 -1.89250982 -6.0154185 -0.99144588 -5.59428871 -5.60704085 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118499-70-0 6917941 170466448 A Ipidacrine hydrochloride hydrate Cl.O.Nc1c3CCCc3nc2CCCCc12 Tox21_112577_1 -NCGC00257234-01 196726788 tox21-ror-cho-viability-p1 set3 4 7.6958821542 10.7151989279 -3.7151989279 7 4.9549173134 0.4889788986 0.1883799338 6.65809421 0.35161125 -0.54530621 -0.84657694 1.20177371 -6.76935375 -9.44642739 -8.33522711 -6.54097501 -6.81646308 -10.17933244 2.68271823 5.405418 6.06993943 9.81748207 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-17-5 8462 144213656 A Ac 1-Chloro-2-nitro-4-(trifluoromethyl)benzene O=[N+]([O-])c1cc(ccc1Cl)C(F)(F)F Tox21_303339 -NCGC00257143-01 196726797 tox21-ror-cho-viability-p1 set3 4 -1.03973772 1.35467149 2.71576832 -1.31530438 2.55378261 2.25447459 0.19776465 1.08093173 2.55929548 0.16607844 3.62936249 1.31255322 1.99803664 -1.19449544 -1.22370099 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 35367-38-5 37123 144213455 A A Diflubenzuron Clc2ccc(NC(=O)NC(=O)c1c(F)cccc1F)cc2 Tox21_303138 -NCGC00257129-01 196727206 tox21-ror-cho-viability-p1 set3 4 0.8901404 0.76366859 -1.06126249 1.30305035 -0.98318196 0.39293088 2.53164606 2.51604973 -0.31390599 0.48914879 3.91598063 3.68648818 -0.64228464 4.37140118 0.24619882 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-92-1 23662383 144213524 Ac Sodium ethasulfate [Na+].O=S([O-])(=O)OCC(CCCC)CC Tox21_303207 -NCGC00257289-01 196727208 tox21-ror-cho-viability-p1 set3 4 0 0 0 -13.99811453 0 0 0 -0.23742892 0 0 -0.72533257 -13.81376295 -5.98316375 -0.60255099 2.4379118 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-39-1 8469 144213682 B Bc Ethyl 3-phenylglycidate CCOC(=O)C2OC2c1ccccc1 Tox21_303367 -NCGC00257455-01 196727215 tox21-ror-cho-viability-p1 set3 4 2.37049221 1.32645915 0.01321458 -2.53738238 2.27131941 3.20869409 0.35083331 -2.58028467 1.33420718 3.00439431 4.4609556 3.41548053 3.38117915 0.59602256 -0.64260626 9.0249999999E-10 2.018E-9 4.513E-9 1.009E-8 2.2559999999E-8 5.045E-8 1.1279999999E-7 2.523E-7 5.641E-7 0.0000012609999999 0.0000028199999999 0.0000063059999999 0.000014099999999 0.00003153 0.00007051 1405-86-3 14982 144213802 Ac Glycyrrhizin O=C(O)[C@H]7O[C@@H](O[C@@H]6[C@@H](O)[C@H](O)[C@H](O[C@@H]6O[C@H]2CC[C@]3(C)[C@H]4C(=O)C=C1[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]1(C)[C@]4(C)CC[C@H]3C2(C)C)C(=O)O)C(=O)O)[C@H](O)[C@@H](O)[C@@H]7O Tox21_303493 -NCGC00256769-01 196727218 tox21-ror-cho-viability-p1 set3 4 -0.69419712 0.44906305 0.66993347 -1.62154761 1.10326042 1.1119257 -0.20931086 0.18552065 0.67561971 2.22966206 1.78524198 1.08036395 1.17026425 -0.32224098 1.08688693 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-31-2 8175 144212973 F F Decanal CCCCCCCCCC=O Tox21_302656 -NCGC00090874-04 196725781 tox21-ror-cho-viability-p1 set3 4 -10.14155162 0 -3.49143296 -10.25315282 1.69278601 1.14586769 5.06654994 2.65006055 -3.37663423 -9.49832007 1.06430389 2.55726909 -0.44950296 -5.15589307 -4.81276782 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00177995-02 196725369 tox21-ror-cho-viability-p1 set3 1.1 1.2990017229 66.3128973805 -3.7801416999 62.5327556806 4.9549173134 0.9789114979 6.45E-8 -1.47715453 -8.56678475 -3.67689598 -3.29479122 -0.85853662 -5.71760122 -7.50361368 -8.32655598 2.02283675 3.88195108 3.11714852 61.04811646 57.21282886 59.14019096 67.34968677 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 91296-87-6 56207 170466185 A Sarafloxacin hydrochloride Cl.Fc1ccc(cc1)N2C=C(C(=O)O)C(=O)c3cc(F)c(cc23)N4CCNCC4 Tox21_111462_1 -NCGC00179372-03 196725762 tox21-ror-cho-viability-p1 set3 4 9.4391758155 16.2486522119 -0.7486522119 15.5 4.9549173134 0.794629106 0.0089100432 -6.04054351 0.33418836 -0.84334671 5.10919004 3.95964515 -2.85858945 -3.48203768 1.23202607 -2.67791291 1.11741561 -3.69065262 -2.75336866 7.08048446 16.52247098 14.39183449 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 536-93-6 102428 170466524 A Eucatropine hydrochloride Cl.CC2CC(OC(=O)C(O)c1ccccc1)CC(C)(C)N2C Tox21_113348_1 -NCGC00016374-05 196725768 tox21-ror-cho-viability-p1 set3 4 0.0053080386 10.3404707361 0.1595292639 10.5 1.8851180601 0.3390763382 0.3459051694 1.33260073 -0.26755476 2.71852628 6.65657544 9.62898287 6.82694564 17.88416541 14.61776234 -0.70039228 20.33487357 3.61643971 10.48971176 11.0599565 7.60034238 4.38580597 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 121-59-5 8480 170466507 A Carbarsone O=C(N)Nc1ccc(cc1)[As](O)(O)=O Tox21_110404_1 -NCGC00091225-06 196723082 tox21-ror-cho-viability-p1 set3 4 0.0118832183 -14.700520356 10 -4.700520356 4.0949729863 0.657314328 0.0710668608 3.05046829 5.49814605 21.85444755 7.79298688 -0.60108465 -2.89925834 2.48904389 -3.03865054 -4.97263913 -7.25043363 -6.7040279 -6.06464838 -6.16299549 -5.04531752 11.66557127 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80-13-7 3552 170466384 F Halazone O=S(=O)(N(Cl)Cl)c1ccc(cc1)C(=O)O Tox21_111104_1 -NCGC00253627-01 196722669 tox21-ror-cho-viability-p1 set3 4 2.14005824 0.62214064 0.40179658 1.11421415 1.45564879 3.13976293 2.23393143 -1.00131166 6.03503778 6.32198269 -5.39311203 4.76037218 6.97088195 7.44330393 3.97206158 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 153168-05-9 1684 170466405 A A Pleconaril Cc1cc(on1)CCCOc2c(C)cc(cc2C)c3nc(on3)C(F)(F)F Tox21_113756 -NCGC00015288-09 196722688 tox21-ror-cho-viability-p1 set3 2.4 26.6032120037 27.1651019 2.8348981 30 0.8999999999 0.693799012 0.0409901033 0.88445239 3.8173561 -0.2646724 2.63749025 5.34239683 -0.97091825 -0.28709627 1.5968285 9.62517372 7.03943082 10.80712716 4.06503303 7.35285806 11.12340267 24.89728833 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2259-96-3 2910 170465274 A Cyclothiazide NS(=O)(=O)c4cc1c(NC(NS1(=O)=O)C3CC2C=CC3C2)cc4Cl Tox21_110124_1 -NCGC00161414-03 196722691 tox21-ror-cho-viability-p1 set3 4 0.8412674301 -9.71684032 -1.79716144 -11.51400176 0.8999999999 0.9042332275 0.0004891809 -2.84324303 -1.29757173 -0.6643012 -0.75048725 -2.75689838 -3.32510202 -3.7436143 -4.72944975 -2.58934344 -7.09428991 -8.3240046 -10.20367949 -11.6783348 -9.60471335 -3.03633837 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 89565-68-4 656665 170466432 A Tropisetron CN4[C@H]1CC[C@@H]4CC(C1)OC(=O)c3cnc2ccccc23 Tox21_110272_1 -NCGC00090874-04 196723502 tox21-ror-cho-viability-p1 set3 4 0.0021954902 -23.501155988 24 0.498844012 0.4 0.390831166 0.297136714 17.5764346 10.81453971 2.73352682 3.83620072 19.10153694 3.9470297 1.76302238 1.31417732 0.27419952 6.39983754 8.37225965 -4.16762999 -0.06855761 1.10088192 10.78598737 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00260156-01 196723919 tox21-ror-cho-viability-p1 set3 4 -0.73453064 -1.29799194 4.23297186 2.57087321 1.17908388 2.13771728 4.89974836 1.19227294 -0.6675122 5.96250474 2.59353729 -4.2603722 0.54876718 -1.41849698 5.12056774 1.211E-9 2.709E-9 6.0569999999E-9 1.3539999999E-8 3.028E-8 6.772E-8 1.514E-7 3.386E-7 7.5709999999E-7 0.000001693 0.000003786 0.000008465 0.00001893 0.00004232 0.00009464 89-78-1 16666 144209806 A A dl-Menthol CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O Tox21_202608 -NCGC00260064-01 196723929 tox21-ror-cho-viability-p1 set3 4 -3.23392833 -1.84606105 4.22020519 3.00640052 5.74674879 1.31386603 -2.6010814 5.16356063 -5.32808552 2.72445867 3.89748279 3.46037142 3.61049627 -4.21850061 -6.57091947 1.189E-9 2.6589999999E-9 5.945E-9 1.3289999999E-8 2.973E-8 6.647E-8 1.486E-7 3.323E-7 7.4319999999E-7 0.000001662 0.000003716 0.000008309 0.000018579999999 0.00004154 0.00009289 149-91-7 370 144209713 A A Gallic acid Oc1cc(cc(O)c1O)C(=O)O Tox21_202515 -NCGC00260486-01 196723930 tox21-ror-cho-viability-p1 set3 4 0.6387599841 -7.3677057679 2 -5.3677057679 0.7999999999 0.4123715912 0.2611023009 -3.92285035 -0.9051655 5.16197122 6.22231243 3.6134744 2.60721359 -3.75203961 -2.72716757 0.15717961 -4.38175683 -2.09524724 -3.38465539 -7.7415967 0.01999506 -9.47308814 1.224E-9 2.736E-9 6.118E-9 1.3679999999E-8 3.059E-8 6.841E-8 1.5299999999E-7 3.42E-7 7.648E-7 0.00000171 0.0000038239999999 0.000008551 0.00001912 0.000042749999999 0.000095599999999 670-54-2 12635 144210138 F Tetracyanoethylene N#C/C(C#N)=C(/C#N)C#N Tox21_202940 -NCGC00091278-03 196723933 tox21-ror-cho-viability-p1 set3 4 0.3437624285 9.73235444 -4.73235444 5 1.331 0.8090999112 0.0093483201 -8.9436287 -4.3853931 -4.5650507 -1.44672499 -3.98159347 -4.67096893 -1.23534727 -1.47747909 3.46663591 2.69033913 6.8975633 6.60045621 4.51014481 1.38499167 -4.33675484 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00254148-01 196720679 tox21-ror-cho-viability-p1 set3 4 54.4826732819 -21.080358464 7.5 -13.580358464 1.8616924601 0.4036379961 0.2683281558 0.01835368 3.94516715 16.68927715 -0.00467743 4.31436904 15.57547285 15.90101658 2.99076971 6.52201927 7.82730151 7.63009277 8.11747715 3.39146967 0.9310507 -8.40029872 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-67-6 7714 144210383 A A 5-Heptyldihydro-2(3H)-furanone O=C1CCC(CCCCCCC)O1 Tox21_300063 -NCGC00255003-01 196720256 tox21-ror-cho-viability-p1 set3 4 2.41198644 -1.24062248 6.38966043 5.79304897 0.1958975 3.84345513 2.90675841 -3.39415737 6.11898235 3.73369407 -0.31815576 4.1726742 -1.17727334 1.23496354 3.59723208 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1634-78-2 15415 144211420 Ac Fc Malaoxon COP(=O)(OC)SC(CC(=O)OCC)C(=O)OCC Tox21_301103 -NCGC00254923-01 196720265 tox21-ror-cho-viability-p1 set3 2.4 0.0272782538 29.1819018359 -20.6819018359 8.5 0.2 0.7069537835 0.0352134237 -11.24426852 -14.31825153 -3.61153311 -4.59341037 -6.47076831 -4.11655615 -0.98872346 -4.97068607 -0.74784704 -0.33527422 -3.43730387 1.05093259 -0.22210602 1.15043533 9.44979486 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 1912-24-9 2256 144211338 A A Atrazine Clc1nc(NCC)nc(NC(C)C)n1 Tox21_301021 -NCGC00257201-01 196727495 tox21-ror-cho-viability-p1 set3 4 8.7479318 0.83505795 -2.73006088 3.5101977 -0.15567125 0.12347227 1.53642544 -3.62574754 -0.57798947 3.23515929 4.31706251 1.93820546 1.73371833 2.78499502 3.5914108 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-37-6 7804 144213473 A Ac 1,4-Dibromobenzene Brc1ccc(Br)cc1 Tox21_303156 -NCGC00256457-01 196727491 tox21-ror-cho-viability-p1 set3 4 0.6185404 1.39636242 -1.13922566 1.64095062 0.11361383 1.6555315 0.82740049 1.76517417 1.87795912 0.34887091 0.59420896 1.41401218 1.35359747 2.80840373 1.90193821 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1330-78-5 6529 144213203 A A Tricresyl phosphate Cc1ccc(cc1)OP(=O)(Oc2ccc(C)cc2)Oc3ccc(C)cc3 Tox21_302886 -NCGC00256601-01 196727494 tox21-ror-cho-viability-p1 set3 4 0.0034376243 -12.0598440759 9 -3.0598440759 1.826479391 0.6213765438 0.0828799814 7.22732938 6.24444782 -3.41171355 -0.32718663 0.27251979 -0.61769746 -4.35369465 -6.71653673 -4.68696949 -4.609914 -5.62945234 -3.60222033 -0.5743144 0.19063037 -0.36352946 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25812-30-0 3463 144213101 A A Gemfibrozil O=C(O)C(C)(C)CCCOc1cc(C)ccc1C Tox21_302784 -NCGC00256671-01 196727496 tox21-ror-cho-viability-p1 set3 4 -2.24891278 -3.61788121 -10.7008112 -0.26061746 0 0 -0.19523704 -0.29984244 -0.78407962 -0.93056607 -0.66623346 -3.95969281 -2.60510539 -2.82657588 -1.62428509 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 108-29-2 7921 144212941 A 4-Pentanolide O=C1CCC(C)O1 Tox21_302624 -NCGC00255996-01 196727917 tox21-ror-cho-viability-p1 set3 4 34.3762428541 34.7688630919 -2.7688630919 32 0.4 0.5672839364 0.1367115161 2.23765391 -6.05738591 -3.48903795 -3.35579935 0.57821785 -1.52926721 -1.43906633 4.82865714 8.53655199 5.637147 11.33978287 2.9058771 2.32981761 24.80234212 0.76529975 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5138-18-1 21220 144211916 A Ac Sulfosuccinic acid OC(=O)CC(C(=O)O)S(=O)(=O)O Tox21_301599 -NCGC00255190-01 196728317 tox21-ror-cho-viability-p1 set3 4 -2.50042773 -3.83104315 -1.97448207 -1.08040217 -0.59296718 -1.3154136 -0.17313131 -0.02773354 1.51669147 0.31778616 -3.96449547 -7.83356231 -3.94884884 -2.35012569 -5.11535724 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 64628-44-0 47445 144212191 A A Triflumuron O=C(NC(=O)Nc1ccc(OC(F)(F)F)cc1)c2ccccc2Cl Tox21_301874 -NCGC00260023-01 196712183 tox21-ror-cho-viability-p1 set2 4 0.0378227854 6.623331948 0.376668052 7 3.0654483358 0.4228341314 0.2676683376 1.04437518 -1.76944329 0.26893507 1.87109084 1.28291569 1.41201264 8.2889766 11.52488408 8.99967023 12.77551278 6.37316472 8.47797585 0.43198948 -0.92302538 0.09124864 5.931E-10 1.3259999999E-9 2.966E-9 6.6309999999E-9 1.483E-8 3.316E-8 7.414E-8 1.658E-7 3.7069999999E-7 8.2889999999E-7 0.0000018529999999 0.000004144 0.000009267 0.000020719999999 0.00004634 129-15-7 31426 144209672 A Ac 2-Methyl-1-nitroanthraquinone [O-][N+](=O)c3c(C)ccc2C(=O)c1ccccc1C(=O)c23 Tox21_202474 -NCGC00091278-03 196711355 tox21-ror-cho-viability-p1 set2 -1.2 5.4482673282 -27.6845994452 -1.6297672519 -29.3143666971 2.4729283767 0.7781543391 0.0121515731 -1.13867011 -1.31627332 0.1672719 -1.551264 -1.13759513 0.26251882 -6.45203767 -1.78342863 0.38181778 -6.8307164 -11.2914082 -15.41399459 -45.91585474 -19.46132028 -25.79415602 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00258539-01 196712167 tox21-ror-cho-viability-p1 set2 4 -7.86073476 -2.43223534 -5.23181803 -15.47932602 -3.21303064 -1.36016677 -6.23467924 -1.40541961 -1.39503297 0.08424104 -18.8441421 -0.06840807 -13.0723764 -8.08829226 -6.13724855 1.19E-9 2.661E-9 5.95E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003719 0.000008315 0.00001859 0.00004158 0.00009297 117-10-2 2950 144208184 A A Danthron Oc3cccc2C(=O)c1cccc(O)c1C(=O)c23 Tox21_200986 -NCGC00260554-01 196712182 tox21-ror-cho-viability-p1 set2 -2.4 2.3710137656 -35.1409138322 -4 -39.1409138322 0.5 0.3955813773 0.291953256 -6.06583762 -13.84935109 0 -14.40966395 -9.24896269 -13.80527304 0 -14.46398909 -7.04253329 0 -35.97384704 -38.20707447 -24.43530683 -21.8243349 11.63364206 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49450 144210207 M M NTP Mix62 CT1 62-EQP Tox21_203009 -NCGC00091278-03 196712187 tox21-ror-cho-viability-p1 set2 -2.4 5.4482673282 -19.0535151759 -2 -21.0535151759 3.5117481694 0.7354258607 0.030791669 1.50507948 0.60190714 -0.19927034 -2.37875457 0.04590374 0.57770886 -11.6011055 -0.3270483 -8.20526228 1.55708607 -6.90913279 -15.74754041 -27.54459598 -15.25990977 1.54373615 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00254995-01 196715050 tox21-ror-cho-viability-p1 set2 4 -0.1410581 1.02796046 1.93178263 -1.31722635 -0.19008161 0.01200538 1.93577925 -0.19689645 0.96126615 2.90066321 0.36653968 4.14429656 4.37704944 1.44668533 2.69392871 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 706-14-9 12813 144211412 A A gamma-Decanolactone O=C1CCC(CCCCCC)O1 Tox21_301095 -NCGC00255019-01 196715037 tox21-ror-cho-viability-p1 set2 4 0.1559718 -2.25946883 0.10207502 0.2707001 0.66856279 0.78219963 1.36090492 0.04983839 -2.65507595 -0.60867963 0.67248222 4.96275679 1.26067585 2.03542929 -3.57583197 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33629-47-9 36565 144211437 A A Butralin [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1NC(C)CC)C(C)(C)C Tox21_301120 -NCGC00257886-01 196715441 tox21-ror-cho-viability-p1 set2 4 0.50212223 -4.25456834 -4.09871086 -1.24686195 -0.84837832 1.06174906 1.57827446 -4.4664311 -0.28510278 -6.77772146 0.03758168 0.17737956 2.4025746 -5.76811986 2.60601068 1.126E-9 2.5189999999E-9 5.6319999999E-9 1.259E-8 2.816E-8 6.297E-8 1.408E-7 3.149E-7 7.04E-7 0.000001574 0.0000035199999999 0.000007871 0.0000176 0.000039359999999 0.000088 57-53-4 4064 144207530 A A Meprobamate O=C(N)OCC(C)(COC(=O)N)CCC Tox21_200332 -NCGC00091657-02 196715447 tox21-ror-cho-viability-p1 set2 4 0.1933118196 7.355539572 1.144460428 8.5 0.8999999999 0.3863514809 0.2856123583 1.889851 3.19752407 1.88836107 -2.37961631 3.14279571 2.88909719 1.78107104 3.32756647 12.36457957 10.82873784 11.32880286 1.95531087 0.09300445 11.6589655 12.81577334 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00091759-02 196715449 tox21-ror-cho-viability-p1 set2 4 30.6378586933 -10.936858264 1.5 -9.436858264 2.6384283767 0.8005728332 0.0080117595 2.97137684 -2.51890554 0.93751346 3.30255451 0.46996611 2.35365342 0.51542291 3.6105311 1.43864504 1.77709728 1.25337126 3.05171774 -2.26809271 -4.95787714 -9.53071522 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00257937-01 196715456 tox21-ror-cho-viability-p1 set2 4 -3.90970842 -6.4003463 -4.69902427 -1.8984787 -0.40806007 2.31140794 -1.95456995 0.97639302 0.81174267 -2.54643737 0.85251687 0.09550105 1.08357512 2.94623755 1.39656728 1.158E-9 2.5899999999E-9 5.792E-9 1.2949999999E-8 2.896E-8 6.4759999999E-8 1.448E-7 3.238E-7 7.241E-7 0.0000016189999999 0.00000362 0.000008095 0.0000181 0.000040479999999 0.00009051 96-47-9 7301 144207581 FNS 2-Methyltetrahydrofuran CC1CCCO1 Tox21_200383 -NCGC00258634-01 196715463 tox21-ror-cho-viability-p1 set2 4 1.44664616 4.3241496 3.04358247 2.51957224 2.00629261 0.24698822 0.52071455 0.07930571 2.99285777 2.27911855 2.00406991 4.30949014 -0.60549088 2.0745836 1.73556329 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 104-93-8 7731 144208279 A Fns 1-Methoxy-4-methylbenzene Cc1ccc(OC)cc1 Tox21_201081 -NCGC00095122-05 196712558 tox21-ror-cho-viability-p1 set2 4 -0.88221592 4.54914541 2.53391727 -1.79373894 -1.12042445 2.57181127 1.03165746 3.25260867 1.47553893 1.10250059 2.4309731 -0.03376809 2.17994957 -0.44146574 0.94359841 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 138402-11-6 3749 170464670 A Irbesartan CCCCC5=NC1(CCCC1)C(=O)N5Cc2ccc(cc2)c3ccccc3c4nnnn4 Tox21_111433_1 -NCGC00356938-01 196712149 tox21-ror-cho-viability-p1 set2 4 0.1722893406 -4.3648116479 0 -4.3648116479 4.9549173134 0.3677784419 0.3052348704 -0.50579916 0.5919246 -2.62133849 0.19717925 -0.09228779 0.35277837 -0.13402373 -11.13734304 -2.09430675 -1.36040113 -3.6940158 0.4375612 -4.86791874 -8.05099421 -6.37521857 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 619-50-1 12083 251919661 A Methyl p-nitrobenzoate O=[N+]([O-])c1ccc(cc1)C(=O)OC Tox21_303702 -NCGC00260535-01 196712153 tox21-ror-cho-viability-p1 set2 4 -2.67365774 -2.0596171 -5.29294483 -7.49599396 -9.91872993 -8.43121452 -30.94318327 -3.68856632 -6.50764206 -14.11835089 -35.12393296 -15.7851592 0 -12.02516361 -7.64178597 1.1919999999E-9 2.6659999999E-9 5.9609999999E-9 1.333E-8 2.98E-8 6.664E-8 1.49E-7 3.332E-7 7.451E-7 0.0000016659999999 0.000003725 0.00000833 0.00001863 0.000041649999999 0.00009313 90-05-1 460 144210188 A A 2-Methoxyphenol Oc1ccccc1OC Tox21_202990 -NCGC00260391-01 196712159 tox21-ror-cho-viability-p1 set2 -3 16.6400224199 -31.823595612 0 -31.823595612 4.9549173134 0.8411655704 0.0029236832 0.61776276 -0.39335693 0.20945422 -0.03097539 -0.1465019 2.02225454 -0.0934256 -0.13309886 -1.59716257 -9.14726203 -0.23484735 1.45142007 1.28758547 3.94269823 -31.51966301 2.992E-10 6.6909999999E-10 1.4959999999E-9 3.346E-9 7.481E-9 1.6729999999E-8 3.74E-8 8.364E-8 1.87E-7 4.1819999999E-7 9.351E-7 0.000002091 0.000004676 0.000010449999999 0.000023379999999 544-77-4 11007 144210043 Fc 1-iodohexadecane CCCCCCCCCCCCCCCCI Tox21_202845 -NCGC00344544-01 196712562 tox21-ror-cho-viability-p1 set2 4 -1.83560811 -1.18606749 -2.55774898 -1.39916068 -0.07176933 -1.65345736 1.6965451 -0.19543762 -2.8208955 -2.8693554 -0.36219722 0.231 -2.62100499 -4.22759156 -3.40083886 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 81409-90-7 54746 170464667 A Cabergoline CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@@H]2c3cccc4ncc(C[C@H]2N(C1)CC=C)c34 Tox21_112589_1 -NCGC00091839-03 196712569 tox21-ror-cho-viability-p1 set2 -3 61.130564862 -38.351834796 0.5 -37.851834796 4.0949729863 0.9931099835 1E-10 -1.29617868 0.81791275 0.01001191 0.55824368 0.42208178 0.18599103 1.15512442 0.10622059 1.57524564 1.25976629 0.81661989 1.14804181 0.71963263 -5.51947485 -31.95986233 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00018257-08 196698116 tox21-ror-cho-viability-p1 set1 4 -3.59770069 -0.0728195 -0.17467088 -1.99373134 -6.61855691 -2.80236612 -0.3042666 -0.86522351 1.626091 0.95455115 -1.13573465 -0.71164108 -0.56721603 1.83031643 1.05255206 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 532-03-6 4107 170464808 A Methocarbamol NC(=O)OCC(O)COc1ccccc1OC Tox21_110454_1 -NCGC00274064-01 196698105 tox21-ror-cho-viability-p1 set1 4 1.49250028 1.33312657 -0.49610814 -0.3114182 1.03574713 0.28549502 -0.58036523 0.11141337 -0.63715528 0.58067242 -0.87440355 -6.89135824 -0.58354312 -6.90327594 1.35941687 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33755-46-3 63047 170465191 I Betamethasone valerate OCC(=O)[C@@]4(OC(=O)CCCC)[C@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_111565_1 -NCGC00015610-17 196698111 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -10.9490315639 0 -10.9490315639 4.9549173134 0.3859774414 0.2872692938 -1.4442822 6.98826011 -1.09902209 -5.97982219 2.36829093 3.43035467 2.53264514 -0.77546507 -2.51693089 -0.26874792 -2.41164113 -0.09488659 -0.54883013 -0.64857155 -9.12419297 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 75706-12-6 3899 170464823 A Leflunomide Cc2oncc2C(=O)Nc1ccc(cc1)C(F)(F)F Tox21_110182_1 -NCGC00090827-04 196698115 tox21-ror-cho-viability-p1 set1 4 0.1376897549 4.74429516 -2.24429516 2.5 4.9549173134 0.4247918249 0.2502452274 4.37227378 -2.96202607 -1.74010401 -2.68788626 -3.55192515 -6.4535793 0.70909916 4.419934 5.0318825 -0.05279314 -0.60812206 -0.07304567 4.03444266 4.4310471 3.84489005 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00160537-04 196698120 tox21-ror-cho-viability-p1 set1 4 -3.86857768 -4.27995422 -0.22160797 -4.95428169 1.06970373 -1.69262489 -4.90549352 -2.20120061 0.81595458 -4.09336532 -2.86583483 -4.29291136 -0.11355029 -4.42227218 -4.22032253 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00178575-05 196698518 tox21-ror-cho-viability-p1 set1 4 -0.19017923 0.60721825 0.02974747 0.1206583 -2.76998704 -0.09332745 -0.58916669 -0.82577445 3.15895774 2.54993399 6.7285387 2.54764363 -0.99904352 -0.55181901 3.57767505 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26155-31-7 60196268 170465696 A Morantel tartrate Cc2ccsc2\C=C\C1=NCCCN1C.O=C(O)[C@H](O)[C@H](O)C(=O)O Tox21_110773_1 -NCGC00244580-01 196698520 tox21-ror-cho-viability-p1 set1 4 19.3311819617 -10.615896856 5 -5.615896856 4.0449729863 0.7363722128 0.0240649879 1.96197376 8.02175486 6.94874389 3.65657786 7.6906238 7.23202843 2.7609029 7.60615607 5.40357035 2.96505186 0.8222037 5.33980645 -0.26163731 -5.03282017 -5.51324738 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00254527-01 196698958 tox21-ror-cho-viability-p1 set1 4 0.7695882154 13.6697300159 -9.6697300159 4 0.3 0.5962289644 0.1148980843 -6.76638666 -8.48077302 -8.93841412 -3.09671217 -10.14144168 -5.08426569 -0.83576671 -3.7314504 -1.14933033 -4.12500457 -5.55828001 2.04316666 0.48207625 1.76114 -23.68615774 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 754-91-6 69785 144210730 A A PFOSA FC(F)(C(F)(F)S(N)(=O)=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300412 -NCGC00014702-15 196698560 tox21-ror-cho-viability-p1 set1 4 -1.90491783 0.41418845 -0.1954181 -4.61749537 -1.97906079 2.74215216 -1.05021424 -0.42207972 0.49032954 -0.81751839 0.29608763 -1.38014419 -0.47255152 -0.45976841 5.00648161 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50892-23-4 5694 170466397 A Pirinixic acid Cc2cccc(Nc1cc(Cl)nc(SCC(=O)O)n1)c2C Tox21_110058_1 -NCGC00013841-09 196698562 tox21-ror-cho-viability-p1 set1 4 0.50971417 -0.14074109 -5.81613827 -3.32423339 -0.37222208 0.59685101 -0.43399663 0.22665456 -0.29719543 -2.21386391 7.08997644 6.25244532 -1.39566373 -3.58293759 -6.27452614 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6202-23-9 22576 170464953 A Cyclobenzaprine hydrochloride Cl.CN(C)CC\C=C2/c3ccccc3C=Cc1ccccc12 Tox21_110040_1 -NCGC00018234-07 196698565 tox21-ror-cho-viability-p1 set1 4 -1.26386459 1.43993906 4.7524797 1.37766318 4.29548132 2.27559412 -0.03321606 6.21148441 0.91498255 3.05831361 0.81853765 5.38676884 1.10770129 0.86500011 1.62106317 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-67-0 5324 170465708 A Sulfaguanidine Nc1ccc(cc1)S(=O)(=O)NC(=N)N Tox21_110329_1 -NCGC00254600-01 196698962 tox21-ror-cho-viability-p1 set1 4 -1.05948269 -5.19071979 -3.93852287 -2.4877885 0.59441792 -2.56264568 -4.47601963 -18.56740778 -4.275072 -5.50517177 -7.6883207 -2.26321633 -10.06544089 -2.7761093 0.48730742 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14979-39-6 26989 144211009 I 4-Methyl-3-heptanol CC(CCC)C(O)CC Tox21_300692 -NCGC00254853-01 196698969 tox21-ror-cho-viability-p1 set1 4 -2.5044992 5.73317661 -1.10097442 4.93419184 1.08146303 1.46430736 -1.87806958 1.27430774 7.37752052 -1.68276983 -0.67895157 -1.10357887 8.41879612 5.9073503 8.31513534 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1067-25-0 61254 144211268 FC Trimethoxypropylsilane CO[Si](CCC)(OC)OC Tox21_300951 -NCGC00263577-01 196725186 tox21-ror-cho-viability-p1 set3 4 -0.23011767 -0.86328835 3.97686194 2.92418675 9.16429402 4.32375538 16.79154141 12.24390545 3.64054071 17.93256228 1.4568303 8.77973722 8.82205446 -0.02452429 4.01020026 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68767-14-6 3965 170465808 A Loxoprofen O=C(O)C(C)c2ccc(CC1CCCC1=O)cc2 Tox21_110178_1 -NCGC00018249-05 196725176 tox21-ror-cho-viability-p1 set3 4 -4.80903029 -9.48181326 -10.56822521 -2.78531531 0.70878238 -2.86392361 -3.20935833 -2.62200178 -4.66769882 -5.22441589 -7.44386512 -4.94159821 -5.80304292 -1.95833608 -7.2396257 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 452-35-7 3295 170465083 A Ethoxzolamide NS(=O)(=O)c1nc2ccc(cc2s1)OCC Tox21_110848_1 -NCGC00018241-07 196725177 tox21-ror-cho-viability-p1 set3 4 0.0023710138 7.7707995119 -4.7707995119 3 4.0949729863 0.4404535636 0.2347846022 -5.22566626 -3.52735265 0.67227599 4.24063491 3.00628148 9.76507811 -3.56331133 1.31538302 1.52413795 6.07086814 0.22214821 6.33594543 3.90515294 1.6640643 3.28993223 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3440-28-6 71651 170466040 A Betamipron O=C(NCCC(=O)O)c1ccccc1 Tox21_110845_1 -NCGC00091650-03 196725184 tox21-ror-cho-viability-p1 set3 4 0.0136854288 7.535338556 -3.535338556 4 4.9549173134 0.6339659779 0.0871766762 -5.86278213 -0.94320412 -3.80728867 -0.18813258 6.9893857 5.75128992 6.56716555 5.83372709 1.0284293 1.24376625 2.18476189 7.84856316 2.78538772 0.84736056 -7.73164679 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00016497-09 196726002 tox21-ror-cho-viability-p1 set3 4 0.1147805 0.58124388 -2.79146223 -2.45921965 1.80018762 -1.36086592 14.21962924 4.08387403 7.09390592 11.05008166 10.44343157 -2.41533915 -1.6644041 -3.93950538 -2.92357978 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 536-33-4 2761171 170465169 A Ethionamide CCc1cc(ccn1)C(N)=S Tox21_110458_1 -NCGC00164358-03 196725265 tox21-ror-cho-viability-p1 set3 4 0.0211316824 10.3867353639 -3.3867353639 7 1.55794881 0.6750014519 0.0607215153 0 -5.32227947 -4.61316051 -2.40522025 2.68153165 2.46346782 4.39014025 7.69909232 9.08120724 7.65413542 3.8052503 8.91439274 11.38933924 -0.23282707 0.21303954 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-10-3 985 170465588 A Hexadecanoic acid O=C(O)CCCCCCCCCCCCCCC Tox21_112105_1 -NCGC00261977-01 196725240 tox21-ror-cho-viability-p1 set3 1.4 0.0421632496 15.423960364 -0.423960364 15 1.111 0.7660203876 0.0150793836 0.92250881 0.63283492 -0.48545559 -0.76996697 3.46811551 9.87439253 9.02342057 4.30181162 20.31817511 18.2608094 18.08115644 12.49298878 13.54058536 11.52106921 14.22872821 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6506-37-2 23009 170466578 A F Nimorazole [O-][N+](=O)c2cncn2CCN1CCOCC1 Tox21_113897 -NCGC00095122-05 196725255 tox21-ror-cho-viability-p1 set3 4 1.9614446 3.94796402 -0.34214144 3.02181797 -0.81237104 2.4829911 -0.98101143 3.896332 4.08009933 -2.0751297 4.00730705 2.31429712 -0.85525456 1.42048742 0.27810417 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 138402-11-6 3749 170464670 A Irbesartan CCCCC5=NC1(CCCC1)C(=O)N5Cc2ccc(cc2)c3ccccc3c4nnnn4 Tox21_111433_1 -NCGC00024196-05 196725261 tox21-ror-cho-viability-p1 set3 4 1.8643506 3.88197299 0.80938874 0.56756024 -2.04302204 0.37985335 14.10892615 10.8380619 4.10066049 7.27219695 8.49598248 2.24643239 3.49636264 -0.15384872 0.92737241 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 595-33-5 11683 170465406 A Megestrol acetate CC(=O)[C@@]3(OC(C)=O)CC[C@H]2[C@@H]4C=C(C)C1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_110469_1 -NCGC00181749-01 196725676 tox21-ror-cho-viability-p1 set3 4 0.0006682425 17.152674332 -18.652674332 -1.5 4.9549173134 0.602123101 0.096216892 -13.87722861 0 -2.33145301 1.52653608 0.92676869 -1.42285322 2.17826677 -2.69455548 -3.09252545 -5.84239335 -1.9045856 -5.48456176 -0.89379279 2.20268333 -3.78307603 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 75498-96-3 60196336 144206473 D D Cefminox sodium [Na+].[O-]C(=O)[C@H](N)CSCC(=O)N[C@]3(OC)C(=O)N2C(=C(CSc1nnnn1C)CS[C@@H]23)C(=O)O Tox21_112920 -NCGC00164510-02 196726072 tox21-ror-cho-viability-p1 set3 1.2 0.0133331902 34.083797558 3.515289795 37.599087353 4.9549173134 0.8910637909 0.0008600823 11.3925027 2.38454853 0 0 26.63843871 39.89071151 37.20625161 40.44657922 29.42621308 28.46347368 34.94301658 44.78828482 34.87797914 44.84710205 8.19975226 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6961-46-2 1550874 170466602 Fc Idrocilamide OCCNC(=O)/C=C/c1ccccc1 Tox21_112145_1 -NCGC00356974-01 196711281 tox21-ror-cho-viability-p1 set2 4 1.5355303643 32.159348316 -4.659348316 27.5 0.2 0.5298778585 0.1522341163 -0.06819043 -0.54945693 1.68306095 4.28396718 13.3606281 3.32630752 11.6014099 13.06509837 13.17724296 4.09805725 13.07153744 12.87592537 4.43053448 19.09595408 24.36017879 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 464-48-2 444294 251919659 A (1S)-(-)-Camphor CC2(C)[C@@H]1CC(=O)[C@@]2(C)CC1 Tox21_303988 -NCGC00255141-01 196710467 tox21-ror-cho-viability-p1 set2 4 0.5448267328 6.1361149599 -6.1361149599 0 4.9549173134 0.6167796908 0.0861180815 -6.34106265 -3.66840143 -9.2800958 -3.7941657 -7.01348726 -6.55850268 -5.26497911 -7.26695725 -0.32592596 1.32232608 -0.41946672 -6.12711502 -1.10289744 1.62201013 2.96506581 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-56-9 67123 144212213 A A Triethylene glycol dibenzoate O=C(OCCOCCOCCOC(=O)c1ccccc1)c2ccccc2 Tox21_301896 -NCGC00255667-01 196710471 tox21-ror-cho-viability-p1 set2 4 68.5896218971 12.0260526 -0.5260526 11.5 4.9549173134 0.5747662443 0.117387604 -0.21910728 6.47537815 -1.08753648 -0.43688324 -0.51555495 -1.21545533 -1.148877 -2.19624617 0.88595623 -2.5217105 -2.42950332 -1.94483848 -1.76427493 0.14778914 9.15923022 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 827-21-4 23677979 144212083 A A Sodium m-xylene-4-sulfonate [Na+].Cc1cc(C)ccc1S(=O)([O-])=O Tox21_301766 -NCGC00090987-03 196710872 tox21-ror-cho-viability-p1 set2 4 -14.82261774 -1.63989335 -8.84422679 -8.88141136 -2.79475009 -2.28079462 -16.40991426 -11.78465285 -14.9809147 -1.9403961 -11.43696992 -12.23476332 -14.28533304 -15.30590977 -0.73069563 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00260130-01 196711284 tox21-ror-cho-viability-p1 set2 4 -0.34865438 1.18834242 -1.02190832 0.59611638 1.10820744 2.1450052 2.67216559 3.89416247 -0.64083368 3.00616515 0.5749024 -0.48041966 1.50833994 0.97950976 1.72127452 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.971E-8 6.6439999999E-8 1.486E-7 3.3219999999E-7 7.429E-7 0.0000016609999999 0.000003714 0.000008305 0.00001857 0.00004153 0.00009286 16872-11-0 28118 144209779 Borate(1-), tetrafluoro-, hydrogen [H+].F[B-](F)(F)F Tox21_202581 -NCGC00260074-01 196711296 tox21-ror-cho-viability-p1 set2 4 -14.18840848 -18.41002679 -7.7604009 -17.0532124 -13.29711186 0 0 -8.34546741 -45.76321794 0 0.53585179 -1.99579354 0 -10.52294642 -25.03399634 5.83E-10 1.304E-9 2.915E-9 6.518E-9 1.4569999999E-8 3.259E-8 7.287E-8 1.6289999999E-7 3.644E-7 8.1469999999E-7 0.0000018219999999 0.0000040739999999 0.000009109 0.00002037 0.000045539999999 7220-79-3 104827 144209723 Ac Bc Methylene Blue trihydrate [Cl-].O.O.O.CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C Tox21_202525 -NCGC00260407-01 196711702 tox21-ror-cho-viability-p1 set2 4 -1.55667543 -4.30304344 0.35667442 -0.03156286 -1.099627 -0.34731676 -9.30289453 -13.81616989 0 -28.42107051 1.27115143 13.77185762 1.35995515 0.67281316 4.46545985 5.885E-10 1.3159999999E-9 2.943E-9 6.58E-9 1.471E-8 3.29E-8 7.3559999999E-8 1.645E-7 3.678E-7 8.225E-7 0.0000018389999999 0.000004112 0.000009195 0.000020559999999 0.00004598 629-72-1 12394 144210059 F Fns 1-Bromopentadecane BrCCCCCCCCCCCCCCC Tox21_202861 -NCGC00259885-01 196709236 tox21-ror-cho-viability-p1 set2 -3 69.7071642489 -66.5480501133 1.235018319 -65.3130317943 4.0449729863 0.9844864002 1.09E-8 5.4412762 1.00252383 3.09165149 1.54092297 0.73518844 0.14218787 4.31340809 0.31443669 -0.32985485 0.09387113 0.42378224 1.77805833 -0.04745958 -6.13117026 -49.85835742 1.196E-9 2.674E-9 5.9789999999E-9 1.337E-8 2.989E-8 6.684E-8 1.4949999999E-7 3.3419999999E-7 7.4729999999E-7 0.000001671 0.000003737 0.000008355 0.000018679999999 0.000041779999999 0.000093409999999 55285-14-8 41384 144209534 A D Carbosulfan CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12 Tox21_202336 -NCGC00258937-01 196709228 tox21-ror-cho-viability-p1 set2 4 0.25934188 0.072386 5.02325618 2.3277309 1.44035224 1.35400098 0.13061645 0.13818364 -0.30740699 -0.41940894 1.45835751 0.98037259 -0.7004284 0.40577938 0.48732345 1.1859999999E-9 2.651E-9 5.929E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008286 0.00001853 0.000041429999999 0.00009264 2016-88-8 16230 144208584 A A Amiloride hydrochloride Cl.Clc1nc(C(=O)NC(=N)N)c(N)nc1N Tox21_201386 -NCGC00259407-01 196709231 tox21-ror-cho-viability-p1 set2 4 5.1476383 -0.95911094 3.64343718 1.34756131 1.02789674 -0.24397129 0.98313389 0.10933135 1.7098321 2.64023464 -0.53390841 1.44410807 2.70160696 4.23265483 1.60026056 1.149E-9 2.569E-9 5.743E-9 1.284E-8 2.872E-8 6.421E-8 1.436E-7 3.211E-7 7.1789999999E-7 0.0000016049999999 0.0000035899999999 0.000008027 0.00001795 0.00004013 0.000089739999999 26472-00-4 3437714 144209056 FNS Methylcyclopentadiene dimer CC=2CC3C1C=C(C)C(C1)C3C=2 Tox21_201858 -NCGC00259411-01 196709235 tox21-ror-cho-viability-p1 set2 4 5.69548018 1.18882117 -1.12421731 2.59757207 2.02367234 3.51280032 0.18114204 0.05934648 0.98049341 2.59704325 0.19942675 -0.76087438 2.77084031 5.37466508 1.45951586 1.1859999999E-9 2.651E-9 5.929E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008286 0.00001853 0.000041429999999 0.00009264 615-54-3 12002 144209060 A Ac 1,2,4-Tribromobenzene Brc1cc(Br)c(Br)cc1 Tox21_201862 -NCGC00091759-02 196709661 tox21-ror-cho-viability-p1 set2 4 -3.37572793 0.05505802 -0.3871455 1.17696687 0.86370171 0.5258508 0.69416964 -1.1575957 1.53334621 -0.69111424 -2.73653687 0.08047966 1.23612416 -2.9123861 0.73521986 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00258956-01 196709663 tox21-ror-cho-viability-p1 set2 4 1.96933031 2.21673895 4.02650569 2.31306949 0.1435842 0.75679084 3.70715486 -0.5416487 1.30998879 2.65244956 0.41944143 4.01330677 3.8666499 4.01271633 -0.50148429 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.000008236 0.00001842 0.000041179999999 0.00009208 102-01-2 7592 144208603 A B Acetoacetanilide O=C(Nc1ccccc1)CC(C)=O Tox21_201405 -NCGC00258809-01 196705729 tox21-ror-cho-viability-p1 set1 4 0.0017228934 13.138412848 -12.138412848 1 2.9522712143 0.6101103347 0.0910482164 -8.86534404 -2.09618051 0.87022363 -1.70908219 -3.05791927 1.18807136 1.72779762 4.50310551 5.67828142 0 0.15501436 2.24699285 0.20643297 1.45410116 2.42577756 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 123-92-2 31276 144208455 FNS 3-Methylbutyl acetate CC(=O)OCCC(C)C Tox21_201257 -NCGC00258880-01 196705726 tox21-ror-cho-viability-p1 set1 4 0.0009521287 21.2231113639 -19.7231113639 1.5 0.2 0.3752728581 0.2966343126 -14.76925947 -1.3776328 -5.0292117 -9.72575303 -2.37433791 -8.02744927 -5.84310055 -1.40855943 -4.82244902 0 -1.65550952 -0.09685112 -6.54083211 3.99774551 -1.63511197 1.163E-9 2.5999999999E-9 5.813E-9 1.2999999999E-8 2.9069999999E-8 6.499E-8 1.453E-7 3.25E-7 7.266E-7 0.000001625 0.0000036329999999 0.000008124 0.00001817 0.000040619999999 0.00009083 1498-51-7 15158 144208526 A F Ethyl dichlorophosphate ClP(Cl)(=O)OCC Tox21_201328 -NCGC00258974-01 196705734 tox21-ror-cho-viability-p1 set1 4 75.084345771 -13.220260588 2 -11.220260588 4.9549173134 0.4140712626 0.2601470576 2.21779827 3.98312935 -1.00946931 1.59084471 5.60726637 -0.23438901 0.14067662 -0.44721964 0.8873821 10.57730158 1.44708209 0.41789408 -0.07063071 2.14118355 -7.68355049 1.156E-9 2.585E-9 5.78E-9 1.293E-8 2.8899999999E-8 6.463E-8 1.4449999999E-7 3.231E-7 7.225E-7 0.000001616 0.000003613 0.000008078 0.000018059999999 0.00004039 0.000090319999999 127-47-9 638034 144208621 C Fns Retinol acetate CC=1CCCC(C)(C)C=1/C=CC(\C)=C\C=C\C(\C)=C\COC(C)=O Tox21_201423 -NCGC00259137-01 196705737 tox21-ror-cho-viability-p1 set1 -2.1 49.051958674 -82.2644320424 -7.706510438 -89.9709424804 2.2526478767 0.9696785275 5.156E-7 -10.13752039 -5.42451439 -12.99970801 -9.90639267 -6.37029048 -9.05140056 -6.85293081 -11.47443842 -5.76013234 -9.03922623 -2.20509323 -2.07679031 -15.63911137 -41.87837395 -74.22041097 1.19E-9 2.661E-9 5.95E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003719 0.000008315 0.00001859 0.00004158 0.00009297 63-92-3 5284441 144208786 B Fns Phenoxybenzamine hydrochloride Cl.CC(COc1ccccc1)N(Cc2ccccc2)CCCl Tox21_201588 -NCGC00260394-01 196703664 tox21-ror-cho-viability-p1 set1 4 -3.97501578 0.58305203 -0.81209872 0.34710406 0.37142557 -0.38828874 -0.54466082 -0.46407656 -1.59985959 1.15476485 -1.41374785 -1.39487334 0.86307251 -1.02519114 1.07445708 1.227E-9 2.743E-9 6.133E-9 1.371E-8 3.066E-8 6.857E-8 1.5329999999E-7 3.4279999999E-7 7.6659999999E-7 0.0000017139999999 0.000003833 0.000008571 0.00001916 0.00004285 0.000095819999999 562-49-2 11229 144210046 Fns Pentane,3,3-dimethyl- CC(C)(CC)CC Tox21_202848 -NCGC00258412-01 196702853 tox21-ror-cho-viability-p1 set1 4 3.41331621 0.59560036 -0.09379443 6.7999413 1.6283887 1.09182181 1.65221154 0.84689455 1.24962479 3.34091078 2.83643432 0.62903029 3.19165763 1.9717264 5.73598973 1.173E-9 2.6229999999E-9 5.865E-9 1.311E-8 2.9319999999E-8 6.557E-8 1.466E-7 3.2779999999E-7 7.3309999999E-7 0.0000016389999999 0.000003665 0.0000081959999999 0.00001833 0.00004098 0.00009164 4568-28-9 20701 144208056 F Triethanolamine stearate OCC[NH+](CCO)CCO.[O-]C(=O)CCCCCCCCCCCCCCCCC Tox21_200858 -NCGC00260277-01 196703254 tox21-ror-cho-viability-p1 set1 4 -4.15486872 1.22547717 -2.95337593 -0.13563355 2.65916584 -11.51031594 0.28772339 -3.27092555 2.04831662 -2.86786226 -1.05721041 1.93083983 -7.55940193 -10.55434171 -0.43083555 1.494E-10 3.34E-10 7.468E-10 1.67E-9 3.734E-9 8.349E-9 1.8669999999E-8 4.175E-8 9.335E-8 2.0869999999E-7 4.6669999999E-7 0.000001044 0.000002334 0.000005218 0.00001167 84776-26-1 144209927 Black cohosh Tox21_202729 -NCGC00260065-01 196703262 tox21-ror-cho-viability-p1 set1 4 -4.67095908 2.06324604 -5.42523658 -7.28245361 0.55733306 0.00061707 1.8833053 1.81402154 0.49456003 -6.52419693 -6.54374312 -7.81258312 0.09038538 3.47529618 2.12477237 5.932E-10 1.3259999999E-9 2.966E-9 6.6319999999E-9 1.483E-8 3.316E-8 7.4149999999E-8 1.658E-7 3.708E-7 8.2909999999E-7 0.000001854 0.0000041449999999 0.000009269 0.00002073 0.00004635 90045-36-6 144209714 ND Ginkgo biloba extract Tox21_202516 -NCGC00260290-01 196703665 tox21-ror-cho-viability-p1 set1 4 -3.45412842 -0.95057123 -2.78814046 -1.13918341 -4.26387536 1.24374766 1.66201436 1.29033953 1.77173583 -1.21418148 -2.15158739 0.71380913 -4.14228478 0.91170873 -2.62347045 2.84E-10 6.351E-10 1.42E-9 3.175E-9 7.1E-9 1.5879999999E-8 3.5499999999E-8 7.939E-8 1.775E-7 3.9689999999E-7 8.8759999999E-7 0.000001985 0.000004438 0.000009923 0.00002219 136-51-6 61082 144209940 A Calcium 2-ethylhexanoate [Ca+2].[O-]C(=O)C(CC)CCCC.CCC(CCCC)C([O-])=O Tox21_202742 -NCGC00357256-01 196703666 tox21-ror-cho-viability-p1 set1 4 -1.88127409 -0.8005775 1.06910318 -1.47304749 -1.76327509 -1.71839784 -1.33943068 -0.11936332 0.92110382 -1.15147077 -10.24065496 -1.87324321 0.52135429 2.23034109 0.88617334 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 626-48-2 12283 251919929 A 6-Methyluracil O=C1C=C(C)NC(=O)N1 Tox21_304049 -NCGC00260266-01 196704080 tox21-ror-cho-viability-p1 set1 4 -7.19190373 -13.94905023 -5.98610936 -5.73611176 -8.01865988 -7.7588347 1.16164037 -8.19927804 -7.03505925 -14.82541165 -12.62700986 -10.62700632 -7.75584555 -11.40399642 -10.36071753 1.281E-9 2.865E-9 6.406E-9 1.4319999999E-8 3.203E-8 7.162E-8 1.602E-7 3.5809999999E-7 8.0079999999E-7 0.0000017909999999 0.0000040039999999 0.0000089529999999 0.000020019999999 0.00004476 0.0001001 111-24-0 8100 144209916 F Bc Pentane,1,5-dibromo- BrCCCCCBr Tox21_202718 -NCGC00357053-01 196704085 tox21-ror-cho-viability-p1 set1 4 -1.82762465 7.46803488 -11.70781615 0.21001954 -0.7266429 -4.61641156 -14.73476492 -1.50849669 0.26859557 -8.40066863 -9.52314063 -6.08142226 -5.04770716 -1.3732957 -0.9854103 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 6379-73-3 80790 251919813 A Carvacryl methyl ether Cc1ccc(cc1OC)C(C)C Tox21_303748 -NCGC00253769-01 196704494 tox21-ror-cho-viability-p1 set1 4 -4.47144431 0.70089944 -4.08420032 0.26893463 -5.8207787 1.90149036 -0.17571788 -0.38678437 0.79356939 1.34071899 0.63914837 0.24236649 0.24457904 1.13150353 -0.38109463 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4945-47-5 72075 170466303 A Fc Bamipine CN1CCC(CC1)N(Cc2ccccc2)c3ccccc3 Tox21_113882 -NCGC00018213-06 196704496 tox21-ror-cho-viability-p1 set1 4 -6.41122106 -2.7909509 -3.97796605 1.8227105 -2.64994363 0.4725571 -1.72908021 0.00810914 -6.72641931 -1.56352619 -8.28343447 -4.56284546 -5.49856591 -1.72569227 1.15188405 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5870-29-1 22162 170464720 A Cyclopentolate hydrochloride Cl.OC1(CCCC1)C(C(=O)OCCN(C)C)c2ccccc2 Tox21_110550_1 -NCGC00357017-01 196724381 tox21-ror-cho-viability-p1 set3 -2.1 48.5577336745 -153.8467934866 0.6141053149 -153.2326881717 1.55794881 0.9678617011 7.164E-7 -5.01994594 3.50748794 -1.46008725 -2.81375905 4.91924912 2.94252951 5.61704825 5.67068978 2.22108936 -8.67358535 0.30290515 -9.35928597 -36.06323252 -53.45972138 -117.15037322 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24038-68-4 13059052 251919989 A BisOPP-A Oc2ccc(cc2c1ccccc1)C(C)(C)c3ccc(O)c(c3)c4ccccc4 Tox21_303963 -NCGC00357077-01 196724784 tox21-ror-cho-viability-p1 set3 4 0.0015355304 11.134939848 -11.634939848 -0.5 4.9549173134 0.3872745231 0.2862545381 -9.27911654 -0.25063434 -1.78251459 -2.44181547 0.0804704 -2.34314415 0.65297067 1.50114519 -4.55704806 0.30863397 -6.08626947 2.27248968 -1.85017871 4.0092401 4.16385819 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1885-38-7 1550846 251919789 A (2E)-3-Phenylprop-2-enenitrile N#C\C=C\c1ccccc1 Tox21_303789 -NCGC00091468-02 196724789 tox21-ror-cho-viability-p1 set3 4 0.1392236388 3.815454896 -4.315454896 -0.5 3.9294729863 0.4074949132 0.2680543689 -4.14862856 -3.51315056 -3.85413312 -5.84851721 -2.88773701 -6.34391991 -2.02657054 -0.26650241 0.02069108 0.14448658 -0.71657573 1.60084338 0.88412444 2.39990836 -7.76287908 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00258677-01 196730260 tox21-ror-cho-viability-p1 set3 4 0.1235857884 4.0109406639 -3.0109406639 1 2.3331733767 0.4433859472 0.2341368376 -0.01057136 -4.91731541 -4.62596419 0.46189022 -7.50911722 -0.9617181 -0.45655309 -0.28253173 0.1470031 3.97264102 1.6657346 1.6481159 -1.00065408 0.53972464 0.32348297 1.193E-9 2.6679999999E-9 5.9659999999E-9 1.3339999999E-8 2.9829999999E-8 6.671E-8 1.4919999999E-7 3.335E-7 7.458E-7 0.000001668 0.0000037289999999 0.0000083379999999 0.00001865 0.000041689999999 0.00009323 77-85-0 6502 144208323 A A 2-(Hydroxymethyl)-2-methyl-1,3-propanediol CC(CO)(CO)CO Tox21_201125 -NCGC00257581-01 196730264 tox21-ror-cho-viability-p1 set3 4 0.340618533 -14.5611974879 -1.5 -16.0611974879 2.3331733767 0.4256442744 0.2636586969 -2.25731988 -0.55331902 -0.27935273 -1.41904487 -1.70751689 -0.76854598 -8.64496578 0.01226134 -22.34208664 -27.79818632 -29.63433124 -6.32566866 -7.53928884 -3.79686604 -7.86185835 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.5479999999E-8 1.464E-7 3.274E-7 7.3209999999E-7 0.000001637 0.0000036609999999 0.000008185 0.0000183 0.000040929999999 0.000091519999999 78-95-5 6571 144207225 CC 1-Chloropropan-2-one CC(=O)CCl Tox21_200027 -NCGC00091146-04 196711712 tox21-ror-cho-viability-p1 set2 -3 13.6854287769 -70.3034461906 1.002830371 -69.3006158196 2.4063783767 0.9291383103 0.0002414144 1.70713064 2.47122976 0.21838793 0.43297676 2.27368671 1.76758734 2.23386394 1.16964052 1.12277626 -7.61722651 0.30719289 -6.63003121 -52.50046653 -8.74158408 -15.71475912 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00015957-06 196712509 tox21-ror-cho-viability-p1 set2 2.2 26.6032120037 41.0651752559 -1.5651752559 39.5 2.9022712143 0.9666912758 8.805E-7 -0.70612018 0.58464561 -2.69315705 1.20618182 0.89726365 -4.22097938 -3.21524117 -2.12935444 -2.76578747 -2.85484519 -1.45926011 1.1654074 -0.25688928 12.16484107 32.55003939 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104076-39-3 11957725 170466873 A Zolantidine dimaleate O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O.c1cccc2sc(nc12)NCCCOc4cc(CN3CCCCC3)ccc4 Tox21_111285_1 -NCGC00260491-01 196712119 tox21-ror-cho-viability-p1 set2 4 0.71546704 1.08192592 -0.61751841 1.97027994 1.14203042 1.22266806 2.28355694 7.9659052 2.66013553 6.43491122 2.74684661 1.45632703 4.27229209 6.80640253 -1.32232306 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.365E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.00004117 0.00009206 77-53-2 65575 144210143 A A (+)-Cedrol C[C@@H]3CC[C@@H]1[C@]23C[C@H](C1(C)C)[C@](C)(O)CC2 Tox21_202945 -NCGC00357163-01 196711714 tox21-ror-cho-viability-p1 set2 2.4 61.130564862 24.3510766401 0.6489233599 25 4.4494702849 0.9434996286 0.0000165261 2.4056244 -0.47611924 0.43030585 3.62584872 -1.1258972 -1.01474641 0.34189241 1.0149936 0.14770673 1.17061211 1.26024864 -0.86649264 -0.68804159 4.39063489 21.44336863 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-37-1 66133 251919648 A Benzyltriethylammonium chloride [Cl-].CC[N+](CC)(Cc1ccccc1)CC Tox21_303914 -NCGC00260568-01 196711715 tox21-ror-cho-viability-p1 set2 -3 14.9600854925 -43.130636702 -4.688112685 -47.818749387 2.2526478767 0.6165316033 0.0984251126 -6.12759492 -4.80587375 -9.03052563 -6.32195468 -7.12862679 -11.38160881 -14.85091343 0 0 0 -5.80288775 -14.76550513 0 -46.88112685 4.36262244 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49464 144210221 M M NTP Mix76 CT1 62-EQP Tox21_203023 -NCGC00260519-01 196712128 tox21-ror-cho-viability-p1 set2 4 2.13012564 1.1916753 5.34308875 1.65750861 2.20312254 2.51889439 5.17003114 8.23594805 6.29886627 5.51727784 3.73226697 3.02585068 9.41291591 10.63033698 -0.61827868 1.198E-9 2.6779999999E-9 5.988E-9 1.339E-8 2.994E-8 6.6949999999E-8 1.497E-7 3.347E-7 7.485E-7 0.0000016739999999 0.000003742 0.000008368 0.00001871 0.00004184 0.000093559999999 1455-77-2 15078 144210171 F Guanazole Nc1nnc(N)n1 Tox21_202973 -NCGC00356966-01 196712129 tox21-ror-cho-viability-p1 set2 4 0.0043277126 40.642070558 -45.059686923 -4.417616365 3.9294729863 0.7060322626 0.0538104347 -86.29052662 -44.17616365 -8.45533915 -5.26693 -1.22899401 -2.74298783 -13.05114714 -10.47208147 -20.35101866 -4.17263465 -8.19903257 0 -5.67447692 -7.82091834 12.86400809 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135-98-8 8680 251919668 Ac sec-Butylbenzene CCC(C)c1ccccc1 Tox21_303828 -NCGC00260241-01 196712136 tox21-ror-cho-viability-p1 set2 4 77.9773608735 19 2 21 0.7 0.5894687942 0.1056474683 3.71890941 3.31896616 2.12537783 4.298065 3.91534702 0.75585774 6.02142617 5.01319656 1.78284105 2.83679909 1.20553415 4.60254702 7.59988084 5.27486242 16.77710758 1.193E-9 2.6679999999E-9 5.967E-9 1.3339999999E-8 2.9829999999E-8 6.671E-8 1.4919999999E-7 3.3359999999E-7 7.458E-7 0.000001668 0.0000037289999999 0.000008339 0.00001865 0.000041689999999 0.00009323 203389-28-0 2734180 144209891 FNS 1-Butylpyridinium tetrafluoroborate F[B-](F)(F)F.CCCC[n+]1ccccc1 Tox21_202693 -NCGC00142580-05 196712539 tox21-ror-cho-viability-p1 set2 4 -1.24895342 1.87254226 0.55449134 4.7634074 5.22505411 1.06449422 1.81522572 0.34954834 1.03674836 -0.75983494 -1.64701918 -0.58168376 -0.27018321 1.65002958 5.66529339 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66-72-8 1050 170466865 Z Pyridoxal Oc1c(C=O)c(cnc1C)CO Tox21_111561_1 -NCGC00181909-01 196712540 tox21-ror-cho-viability-p1 set2 4 -1.46071928 0.39244365 3.07917584 1.96657236 2.1894295 0.03869877 -0.22836123 1.34520263 1.92019553 0.16768653 2.27657417 2.40836988 2.2074508 0.2498825 2.82279101 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 41653-21-8 3300 144206885 A A Sulcaine O=C(CN1CCCCC1)Nc2ccc(cc2)C(=O)OCC Tox21_113334 -NCGC00184998-02 196712959 tox21-ror-cho-viability-p1 set2 4 8.4126743008 -25.3642349679 7.5 -17.8642349679 0.4 0.8577392452 0.0017756251 6.2817379 10.00649042 6.27315611 6.12506302 5.1394746 4.36001709 3.34049959 0.60523099 0.12709183 0.74305427 0.00871602 0.00890183 -1.20133118 -11.24381249 -11.55352914 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 86197-47-9 55483 170466408 A Dopexamine Oc2ccc(CCNCCCCCCNCCc1ccccc1)cc2O Tox21_113031_1 -NCGC00015889-11 196712961 tox21-ror-cho-viability-p1 set2 4 -0.58112168 -0.80024486 -2.51228738 -1.15117993 -3.60679046 -0.75218232 -0.72067314 -2.06756545 -0.55127658 -2.25678787 -2.61912731 -1.28796091 -0.04310246 -0.99286275 -5.94625436 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82640-04-8 54900 170465341 A Raloxifene hydrochloride Cl.Oc1ccc(cc1)c3sc2cc(O)ccc2c3C(=O)c5ccc(OCCN4CCCCC4)cc5 Tox21_110255_1 -NCGC00259005-01 196706561 tox21-ror-cho-viability-p1 set1 4 2.19528433 9.68050333 -1.08612358 0.02292588 4.83779864 1.37594018 3.15334211 2.43322194 -0.97224617 3.36799835 2.7344365 1.75369874 1.47842939 3.18907466 0.5185787 1.1989999999E-9 2.6809999999E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.701E-8 1.4979999999E-7 3.351E-7 7.492E-7 0.000001675 0.000003746 0.000008377 0.00001873 0.00004188 0.00009365 79-77-6 638014 144208652 A Cc beta-Ionone CC=1CCCC(C)(C)C=1/C=C/C(C)=O Tox21_201454 -NCGC00091080-03 196706132 tox21-ror-cho-viability-p1 set1 4 2.7306020303 -17.90290112 1 -16.90290112 1.2221 0.7656475033 0.0151546135 -0.15818842 -0.6796669 -2.39753706 -1.21172202 -1.3393208 9.71337665 7.02286929 1.23746179 -8.57871068 -5.39363589 -4.9676603 -16.23881052 -17.0024176 -14.99947855 -15.71291471 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00259446-01 196706157 tox21-ror-cho-viability-p1 set1 4 -0.77227109 -1.70672586 -3.60151272 -12.45144875 2.22052353 -9.20107169 -2.4680288 -5.62622538 -2.26996535 -0.78288409 -2.66039597 1.45102231 2.25817408 -0.78176195 -5.12841258 1.1839999999E-9 2.647E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.618E-8 1.4799999999E-7 3.309E-7 7.399E-7 0.000001655 0.0000037 0.0000082729999999 0.0000185 0.00004136 0.000092489999999 2783-94-0 5359810 144209095 A A FD&C Yellow 6 [Na+].[Na+].O=S([O-])(=O)c3ccc(/N=N/c1c2ccc(cc2ccc1O)S([O-])(=O)=O)cc3 Tox21_201897 -NCGC00259494-01 196706556 tox21-ror-cho-viability-p1 set1 4 3.0575554966 13.638213736 -8.638213736 5 0.4 0.4815093145 0.1955097269 -11.68246355 -1.53325113 -10.85016175 -14.28184478 -4.98558918 2.10151906 -4.31708364 -7.08001578 -4.47591969 -2.75249346 -5.87914638 0.27837522 1.43635058 2.63567668 3.30812085 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.3169999999E-8 2.9459999999E-8 6.587E-8 1.4729999999E-7 3.2929999999E-7 7.364E-7 0.0000016469999999 0.0000036819999999 0.000008234 0.000018409999999 0.00004117 0.00009206 99-55-8 7444 144209143 A A 2-Methyl-5-nitroaniline Cc1ccc(cc1N)[N+]([O-])=O Tox21_201945 -NCGC00090750-04 196706572 tox21-ror-cho-viability-p1 set1 4 69.4274967035 -11.583086752 -1 -12.583086752 1.0999999999 0.5421561895 0.1447948368 -2.95841639 -1.5460363 -0.39820829 1.78966958 -0.92620629 1.52538415 -3.75430786 -2.18373968 1.19204473 0 -4.17835732 -3.25979354 -0.49551323 -4.85140822 -8.81923896 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00256627-01 196706979 tox21-ror-cho-viability-p1 set1 4 30.6378586933 11.1812507799 -0.6812507799 10.5 4.9549173134 0.7534332251 0.0186995438 -1.35429492 -5.98437565 1.44231089 -2.29973535 2.78104048 0.3976052 -1.41385659 0.06446166 -2.19502811 1.25692334 -0.10537298 -2.17073113 -0.42006444 8.55603139 10.19921777 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-86-7 7531 144212850 A A 2-Methyl-1-phenylpropan-2-ol OC(C)(C)Cc1ccccc1 Tox21_302533 -NCGC00256991-01 196706980 tox21-ror-cho-viability-p1 set1 4 -9.69123521 -8.88014077 -10.43756624 -18.47716667 -12.38032623 -13.29568644 -8.71175241 -11.93739106 -15.42692772 -17.01477023 -11.85684698 -12.2279201 -12.62280138 -13.04404741 -7.40306879 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-16-4 7006 144213477 A A 1,2,3-Benzotriazin-4(1H)-one O=C2N=NNc1ccccc12 Tox21_303160 -NCGC00256735-01 196707381 tox21-ror-cho-viability-p1 set1 4 1.5355303643 -19.7348779 -1 -20.7348779 0.2 0.4371214209 0.2371783274 -12.71116709 0.94017075 -2.88769974 -9.71807342 -3.16471413 -8.1147614 -5.60111965 -14.15783864 -10.82874218 -12.02667717 -12.4943683 -12.77185485 -9.30606831 -15.61239825 -14.87529218 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 6533-00-2 16051930 144213928 A A dl-Norgestrel O=C4CC[C@H]3C(CC[C@@H]2[C@@H]3CC[C@@]1(CC)[C@H]2CCC1(O)C#C)=C4 Tox21_303623 -NCGC00257230-01 196707396 tox21-ror-cho-viability-p1 set1 4 54.4826732819 9.15724032 -0.65724032 8.5 4.9549173134 0.4338216164 0.242491805 2.58327463 0.43169462 1.2583595 -4.36554375 -0.63202417 -0.29375386 3.27124293 0.36552939 -0.73161027 -5.1310336 0.67738601 0.78636588 -3.96541837 1.21805529 7.65053804 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 999-97-3 13838 144213598 Fns Hexamethyldisilazane C[Si](C)(C)N[Si](C)(C)C Tox21_303281 -NCGC00256930-01 196707399 tox21-ror-cho-viability-p1 set1 -2.2 54.4826732819 -57.0514916479 -2.1838490109 -59.2353406588 2.2526478767 0.9517450238 0.0000069278 0.25320503 -1.16218819 -2.81346744 -1.97415778 -0.5909234 -1.68051717 -2.32389141 -2.33174066 0.44808052 -2.75705736 -10.0943629 -0.85682992 -10.23623353 -19.64410042 -46.39040959 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-30-2 7013 144213392 A A N-Phenyl-1-naphthylamine c1ccc3ccccc3c1Nc2ccccc2 Tox21_303075 -NCGC00257291-01 196707400 tox21-ror-cho-viability-p1 set1 4 -10.62925452 -11.60677237 -4.94833595 0.41365845 -12.60348532 -14.73844772 -12.76238555 -12.66591476 -15.6814034 -14.13365108 -15.20088811 -14.61577118 -12.09170998 -4.00631531 -8.64911662 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.397E-7 7.5949999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004246 0.00009494 138-86-3 22311 144213720 A Fns Limonene CC1=CCC(CC1)C(C)=C Tox21_303409 -NCGC00256787-01 196707403 tox21-ror-cho-viability-p1 set1 4 2.55963983 0.41862718 1.36762234 0.80716455 0.51005549 -1.27891201 0.0686999 1.0592043 1.86899358 0.27228066 -1.26922247 1.29939431 -1.47107889 -1.31047544 -2.18819854 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55066-56-3 62092 144212960 A F 4-Methylphenyl 3-methylbutanoate O=C(Oc1ccc(C)cc1)CC(C)C Tox21_302643 -NCGC00015452-20 196725211 tox21-ror-cho-viability-p1 set3 4 0.0053080386 16.8425211241 0.6574788759 17.5 3.9294729863 0.5600612664 0.1425505203 0.53846299 3.39822147 -0.28543427 12.80862326 21.82082624 18.32752362 13.03003742 27.20669159 14.70017751 15.08425991 20.83810883 25.16126366 15.53431921 2.26456274 -2.63203843 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13311-84-7 3397 170464921 A Flutamide O=C(Nc1cc(c(cc1)[N+]([O-])=O)C(F)(F)F)C(C)C Tox21_110154_1 -NCGC00260347-01 196724795 tox21-ror-cho-viability-p1 set3 -2.1 54.2611240406 -112.2902460191 0.6798536439 -111.6103923752 3.1924983358 0.9897616627 1E-9 -2.87360307 1.93572112 1.25485511 -2.22942652 -2.61912515 -3.42880855 2.89663225 3.75084643 4.25332183 0.43387586 3.41846354 -1.56783816 -1.33955027 -31.74763018 -93.94814173 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004107 0.00009184 130-61-0 66062 144209999 A A Thioridazine hydrochloride Cl.CN4CCCCC4CCN1c3ccccc3Sc2ccc(SC)cc12 Tox21_202801 -NCGC00091284-03 196725188 tox21-ror-cho-viability-p1 set3 4 0 0 0.40152343 4.33216611 3.16282029 5.2460502 -12.45558408 -11.85247656 -1.48324442 1.25352801 1.36493803 5.19905545 -1.84197392 -0.57790851 -1.09701953 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00091278-03 196725207 tox21-ror-cho-viability-p1 set3 4 0.0485577337 -6.8022267679 5.5 -1.3022267679 4.9549173134 0.6852432861 0.045557516 6.4151171 0.62688001 5.70148978 5.96783038 7.6398027 -1.28097093 -0.53486802 -0.74326228 0.4522508 -4.50005595 -1.36785646 -1.19773349 0.17433558 0 -5.25185564 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00023064-05 196725617 tox21-ror-cho-viability-p1 set3 4 -0.16648105 -8.85116928 -5.52777006 2.68765418 -7.60822568 -4.96754113 -6.40846557 -7.92958859 1.1693044 1.44985308 -6.02283495 -6.03409096 4.23079804 2.27680136 -0.12616463 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 520-85-4 10631 170466063 A Medroxyprogesterone CC(=O)[C@@]3(O)CC[C@H]2[C@@H]4C[C@H](C)C1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_113401_1 -NCGC00181002-04 196726030 tox21-ror-cho-viability-p1 set3 -2.1 29.8492948118 -101.9973557784 -2.738070756 -104.7354265344 3.2474983358 0.9700243984 4.83E-7 0.45428376 1.14396439 -7.03830206 -6.85586648 -6.78768079 -1.65609085 1.40505092 -1.59547456 0.90245467 2.22995428 -0.0918167 -6.63435696 -11.57625365 -24.55591695 -85.15075328 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 364782-34-3 156418 170465336 A Cinacalcet hydrochloride Cl.FC(F)(F)c3cccc(CCCN[C@H](C)c2cccc1ccccc12)c3 Tox21_112654_1 -NCGC00015864-07 196726031 tox21-ror-cho-viability-p1 set3 2.2 23.7101376556 50.0024043496 1.058611081 51.0610154306 2.7202212143 0.9517301615 0.0000069394 -1.54843019 -0.35706398 -1.42456938 2.14884804 0.28437985 0.4776412 -1.44657548 3.292126 -1.59435532 8.49154912 2.91168751 -0.73325306 3.41984424 22.57955465 43.68727003 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-05-8 5795 170464937 A Procaine hydrochloride Cl.Nc1ccc(cc1)C(=O)OCCN(CC)CC Tox21_110248_1 -NCGC00016324-09 196726041 tox21-ror-cho-viability-p1 set3 4 8.4126743008 -24.220229388 8 -16.220229388 1.92824246 0.6831231639 0.0459917128 3.28112808 2.63625454 5.05791644 3.08988108 11.3416498 13.89485194 7.31864146 0 16.04726243 18.85159005 7.08212747 2.8123522 -7.38115009 -8.09113212 -17.68352449 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80-35-3 5330 170466374 A Sulfamethoxypyridazine O=S(=O)(Nc1ccc(OC)nn1)c2ccc(N)cc2 Tox21_110373_1 -NCGC00090698-06 196726042 tox21-ror-cho-viability-p1 set3 4 1.09209764 1.60440714 3.14329402 0.46697948 -0.03519541 1.54697492 -6.38190903 -5.08834908 5.7368668 -0.56659419 1.83774482 0 -0.1065286 1.6618497 0.13741775 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 102-06-7 7594 170465656 A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_110998_1 -NCGC00091210-02 196726440 tox21-ror-cho-viability-p1 set3 4 0.8634921799 -7.2514980199 1 -6.2514980199 3.9899729863 0.547680768 0.1379947977 2.5768705 0.56477609 -1.31142462 2.14661274 1.21964188 1.97870302 0.4968506 0 0 -11.75183886 -13.12624835 -5.56187022 -2.18446454 -1.61864546 -3.26074832 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00257463-01 196726448 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -23.760825732 -2.104897268 -25.865723 2.4063783767 0.8552423852 0.0019334568 -0.08741439 -1.43194678 -1.34508292 -0.66444345 -3.7727135 -2.61284759 -4.9008394 -5.63784541 -0.55077666 -1.25913152 -0.78619259 -4.98548693 -4.15426795 -6.46704137 -19.8881025 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1478-61-1 73864 144213946 A A Bisphenol AF Oc1ccc(cc1)C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F Tox21_303641 -NCGC00182992-01 196713346 tox21-ror-cho-viability-p1 set2 4 -4.68476815 -4.45803358 -3.88498469 -4.90904047 -3.17450819 -2.2875808 -0.24910611 -0.15837773 -0.96538767 -3.09589435 -3.52443922 1.49638947 0.19918502 1.11499326 -2.36133328 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 110958-19-5 198695 144206891 A A Fasoracetam O=C([C@H]1CCC(=O)N1)N2CCCCC2 Tox21_113340 -NCGC00015735-11 196712937 tox21-ror-cho-viability-p1 set2 -1.1 1.1577365042 -77.4540888724 1.556338044 -75.8977508284 1.752947691 0.9959834717 0 3.14240583 -1.1079439 0.35232619 2.47152244 0.65464681 2.1016966 1.83149386 0.62428943 -0.43263879 -10.53942773 -30.68025598 -53.69735239 -73.45774278 -76.29421373 -71.28598167 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 50-65-7 4477 170465184 Bc Niclosamide Clc2cc(ccc2NC(=O)c1cc(Cl)ccc1O)[N+]([O-])=O Tox21_110209_1 -NCGC00091602-02 196712941 tox21-ror-cho-viability-p1 set2 4 60.3853254505 -10.883935996 1 -9.883935996 3.9899729863 0.7666659627 0.0154003231 2.5486451 -0.28689376 1.65949216 -0.62651871 -1.41435672 2.47329695 -0.89068283 0.2359785 1.90897359 1.8047353 2.80419387 0.67117121 1.65313637 -1.13894671 -8.23661333 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00162218-05 196713344 tox21-ror-cho-viability-p1 set2 4 -1.05813017 -1.73601114 3.07665564 -0.2735796 2.27500163 2.05537162 1.65018808 3.12506722 4.77732037 1.46323774 -0.22044489 1.19746475 1.14314829 4.83201451 -0.11674278 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15622-65-8 9883259 170465047 A Molindone hydrochloride Cl.O=C1C(CCc2nc(C)c(CC)c12)CN3CCOCC3 Tox21_110579_1 -NCGC00159437-03 196713350 tox21-ror-cho-viability-p1 set2 1.2 11.8832183006 62.994235795 -3.88300068 59.111235115 1.8616924601 0.9863009556 5.3E-9 -2.99394702 -4.94714641 -6.6088792 -7.39034565 -5.5754007 -2.01727945 -3.30733418 -6.51724994 -2.98127594 -0.37288497 0.55502006 4.9750751 17.78364823 44.99884744 52.90137235 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1215-83-4 92876 170466051 A Clobutinol hydrochloride Cl.Clc1ccc(CC(C)(O)C(C)CN(C)C)cc1 Tox21_111667_1 -NCGC00263577-01 196713355 tox21-ror-cho-viability-p1 set2 4 26.6032120037 11.4193815 -2.4193815 9 0.5 0.5692601503 0.1223330726 -1.50505325 -0.89755525 -3.79963049 -3.71733435 -5.76615125 0.75032714 -0.9264846 0.04768741 -2.93755178 0.73005745 -0.04695042 -0.68906189 2.77518764 0.35416992 6.54909077 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68767-14-6 3965 170465808 A Loxoprofen O=C(O)C(C)c2ccc(CC1CCCC1=O)cc2 Tox21_110178_1 -NCGC00025341-06 196713359 tox21-ror-cho-viability-p1 set2 4 -2.27665471 -0.74221838 -1.75642665 -0.98450197 -3.61300436 -0.4805508 -0.5552334 -3.11672041 -0.01275488 -1.16414822 -2.58315996 -4.27430792 -3.4353674 -5.66845524 -2.45667633 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 75695-93-1 3784 170465070 A Isradipine O=C(OC)C3=C(C)NC(C)=C(C(=O)OC(C)C)C3c1cccc2nonc12 Tox21_110690_1 -NCGC00018139-07 196713766 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -14.330636804 0.5 -13.830636804 4.9549173134 0.7867125161 0.0105941162 1.5436175 0.76000862 0.53985658 3.38149569 -1.41187105 0.72757479 1.26654387 -1.38221469 3.24471966 -1.21904547 0.82598895 -1.52639582 -1.03413422 0.66244293 -11.52553067 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35212-22-7 3747 170466811 A Ipriflavone CC(C)Oc1ccc2c(c1)OC=C(C2=O)c3ccccc3 Tox21_111532_1 -NCGC00344584-01 196713372 tox21-ror-cho-viability-p1 set2 4 0.22823121 -0.61787313 -2.04338736 -5.69206386 -4.51432035 -3.13553656 -5.9211258 -3.67824103 -3.32421152 -1.05339691 -4.38532275 -2.51271681 -1.04564871 -5.75096869 -5.66533007 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52-53-9 2520 170464904 A Verapamil COc1cc(ccc1OC)C(C#N)(CCCN(C)CCc2ccc(OC)c(OC)c2)C(C)C Tox21_110300_1 -NCGC00183854-01 196713361 tox21-ror-cho-viability-p1 set2 4 0.27950209 -0.53209056 -4.04180937 -2.78462196 -1.57468141 -3.16101757 -3.66794907 -3.54239545 0.10178392 -2.5820591 -2.13409407 -6.51286788 0.80618107 -2.32289407 0.60181108 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33765-68-3 443947 144206842 A A Oxendolone CC[C@H]2C[C@H]3[C@@H]4CCC1=CC(=O)CC[C@@H]1[C@H]4CC[C@]3(C)[C@H]2O Tox21_113291 -NCGC00249916-01 196713366 tox21-ror-cho-viability-p1 set2 4 0.81425494 -2.01351238 0.07310515 -2.4473952 -1.37040926 -1.62251115 0.69994511 -0.76974957 -1.16288184 0.22663865 1.13516803 -1.40636882 0.21969328 -1.27242009 -0.42095604 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 119-48-2 3091 170465773 A A Dimorpholamine O=C(N(CCCC)CCN(CCCC)C(=O)N1CCOCC1)N2CCOCC2 Tox21_113692 -NCGC00255464-01 196710693 tox21-ror-cho-viability-p1 set2 4 -4.02462845 -1.63401985 -7.56419372 -6.54658029 -5.32494433 -6.57745532 -3.94831865 -1.55360596 -0.71271794 1.3033458 -0.17791302 0.77814478 -5.18678067 1.4804505 -5.20800996 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 8000-41-7 17100 144212615 A B Terpineol CC1=CCC(CC1)C(O)(C)C Tox21_302298 -NCGC00255608-01 196710275 tox21-ror-cho-viability-p1 set2 4 -0.40250406 2.52647214 -0.22694919 0.29443798 -0.53401328 -0.41063475 -0.00218353 1.32415304 -0.43913533 -0.71282276 1.47433805 -0.12234325 -1.31142616 -0.48966148 1.26086752 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67564-91-4 93365 144211888 A Fc (2R,6S)-Fenpropimorph C[C@H]2CN(CC(C)Cc1ccc(cc1)C(C)(C)C)C[C@@H](C)O2 Tox21_301571 -NCGC00255877-01 196710288 tox21-ror-cho-viability-p1 set2 4 0.68115609 1.6130903 0.03693661 1.72080154 2.69928366 2.89539684 0.85164111 1.39054241 -0.45636722 0.20390178 -1.28650456 2.26985957 2.78472844 0.63511782 6.31735212 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2031-67-6 16241 144211627 Fns Triethoxymethylsilane CCO[Si](C)(OCC)OCC Tox21_301310 -NCGC00255917-01 196710290 tox21-ror-cho-viability-p1 set2 4 3.24015294 1.36270992 -1.12640202 0.18994368 0.86479755 1.02588611 0.94570112 -1.17763718 1.4802168 1.93192256 -0.88719564 1.69352494 0.56459013 -0.31167744 4.80844508 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 130-14-3 23661867 144211839 A A Sodium 1-naphthalenesulfonate [Na+].[O-]S(=O)(=O)c2cccc1ccccc12 Tox21_301522 -NCGC00256302-01 196711101 tox21-ror-cho-viability-p1 set2 4 48.5577336745 11.383918124 0.616081876 12 1.0999999999 0.6615681631 0.0588352809 4.13498365 -1.56993177 4.15176164 0.73157969 0.06544562 -0.1232551 -0.580518 -0.27019236 -0.41252714 -0.4070951 2.82895569 2.1105043 3.9358471 4.97769572 8.91451803 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 32329-20-7 2763760 144211558 A A 3-Methyl-3,4-dihydro-2H-1,4-benzoxazine CC1Nc2ccccc2OC1 Tox21_301241 -NCGC00255496-01 196711110 tox21-ror-cho-viability-p1 set2 4 -4.02621332 -1.20232884 -2.1535173 1.39837993 -1.5874373 -1.97995635 -1.81838777 -4.97863506 -2.83896632 -2.94193371 -3.05508823 -2.88866256 -2.29433517 0.68320285 0.6643164 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.938E-8 6.568E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.000041049999999 0.0000918 6988-21-2 23421 144212737 A Fc Dioxacarb CNC(=O)Oc1ccccc1C2OCCO2 Tox21_302420 -NCGC00255283-01 196711113 tox21-ror-cho-viability-p1 set2 4 2.5970451 3.74261909 2.89538572 0.34014838 1.55328318 3.60836786 -0.44408597 -1.00672513 0.93486675 2.93463165 0.91177887 0.61229067 0.58760585 0.60136141 6.70116239 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 496-46-8 62347 144211709 F A Glycoluril O=C1NC2NC(=O)NC2N1 Tox21_301392 -NCGC00255993-01 196711117 tox21-ror-cho-viability-p1 set2 2.4 64.4610438082 24.413766336 -0.413766336 24 4.9549173134 0.8470811784 0.0024833607 -4.09480528 -1.77019858 -1.07761636 2.93252634 -0.05754221 -1.17910491 -0.55197761 0.75400223 0.83590021 0.45845632 1.59634749 0.00601661 1.89787158 -2.83475697 17.9248715 1.018E-9 2.277E-9 5.091E-9 1.1379999999E-8 2.545E-8 5.691E-8 1.2729999999E-7 2.846E-7 6.363E-7 0.000001423 0.0000031819999999 0.0000071139999999 0.00001591 0.00003557 0.00007954 51-05-8 5795 144212431 A A Procaine hydrochloride Cl.Nc1ccc(cc1)C(=O)OCCN(CC)CC Tox21_302114 -NCGC00257438-01 196708219 tox21-ror-cho-viability-p1 set1 -2.4 27.3060203028 -21.534522412 0 -21.534522412 2.09374246 0.9231498932 0.0000844098 -3.71083052 2.64738192 0.64559599 -0.46339318 0.77407797 1.09755118 -0.03075317 -2.55647447 1.45224802 0.87008677 0.8058428 0.38165658 -8.91202819 -13.41388137 -20.86210201 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52479-85-3 40399 144213864 A A Exifone Oc2ccc(C(=O)c1cc(O)c(O)c(O)c1)c(O)c2O Tox21_303559 -NCGC00257468-01 196707797 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -18.119584952 1.5 -16.619584952 4.9549173134 0.716464248 0.0314026103 5.11971413 4.020757 -1.93242526 0.64403163 4.48978937 1.9808151 0.73203124 2.02548004 4.4474665 4.51350178 -1.70302987 -0.1208172 -1.95497409 0.38678218 -13.43298746 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 151506-44-4 132932 144213727 A A FR140423 CS(=O)c1ccc(cc1)c3cc(nn3c2ccc(OC)cc2)C(F)F Tox21_303416 -NCGC00257277-01 196707798 tox21-ror-cho-viability-p1 set1 4 -12.40231631 -8.78935099 -10.6936255 -13.98075969 -10.32212094 -12.63438567 -11.00143635 -17.58709047 -19.25236351 -19.01135597 -15.34364204 -10.91829398 -10.51352246 -11.66736446 -13.57432059 8.8929999999E-10 1.988E-9 4.446E-9 9.9419999999E-9 2.2229999999E-8 4.9709999999E-8 1.1119999999E-7 2.486E-7 5.5579999999E-7 0.000001243 0.000002779 0.000006214 0.000013889999999 0.00003107 0.00006947 272451-65-7 11193251 144213743 A A Flubendiamide O=C(Nc1ccc(cc1C)C(F)(C(F)(F)F)C(F)(F)F)c2cccc(I)c2C(=O)NC(C)(C)CS(C)(=O)=O Tox21_303432 -NCGC00255481-01 196707802 tox21-ror-cho-viability-p1 set1 4 -2.50068755 -5.15586062 -5.85508852 0.62057704 -5.31156436 0.7223223 -14.06022754 -10.50094305 -6.12765571 0.71620641 -8.87932504 -11.52993752 -5.81836418 -3.8241899 -13.01627505 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-85-2 5995 144212587 A A Testosterone propionate CCC(=O)O[C@H]2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_302270 -NCGC00257764-01 196729714 tox21-ror-cho-viability-p1 set3 4 1.39817759 1.631355 2.64060945 -0.90024552 2.10507257 3.25424655 0.08317426 3.08058939 3.65770643 0.85728281 2.22827438 -1.85575372 0.19872014 2.26550905 1.20609532 1.152E-9 2.576E-9 5.76E-9 1.288E-8 2.8799999999E-8 6.44E-8 1.44E-7 3.22E-7 7.2E-7 0.00000161 0.0000036 0.0000080489999999 0.000018 0.000040249999999 0.000089999999999 110-67-8 61032 144207408 A A 3-Methoxypropionitrile N#CCCOC Tox21_200210 -NCGC00258392-01 196729286 tox21-ror-cho-viability-p1 set3 4 0.75315226 1.97020475 0.55264569 0.63001244 1.52548974 2.32430159 0.34404276 0.99055086 1.21181594 4.18038735 0.60832138 1.11508291 1.2477896 0.0611213 0.33636068 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_31209 6410 144208036 A A tert-Butyl hydroperoxide (70% Solution in Water) CC(C)(C)OO Tox21_200838 -NCGC00257782-01 196729297 tox21-ror-cho-viability-p1 set3 4 2.6599557 6.10599592 3.13437279 -2.23398568 -2.78010098 -0.18551683 1.59923023 1.48011985 -2.23830833 0.91108588 1.07561397 0.36996375 -0.03416901 2.86890672 -0.38778967 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 99-93-4 7469 144207426 A A 4-Hydroxyacetophenone O=C(C)c1ccc(O)cc1 Tox21_200228 -NCGC00257604-01 196729705 tox21-ror-cho-viability-p1 set3 4 3.23351108 -6.10108119 -1.42625732 2.52050441 1.7533903 -6.70741378 -0.91080829 2.89559908 -5.00334393 -0.66655514 0 -2.68445585 -0.46251155 -2.3347153 -3.81589764 1.177E-9 2.6319999999E-9 5.886E-9 1.316E-8 2.943E-8 6.5809999999E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.000003679 0.000008226 0.00001839 0.00004113 0.000091969999999 683-72-7 12694 144207248 A 2,2-Dichloroacetamide ClC(Cl)C(N)=O Tox21_200050 -NCGC00257842-01 196729715 tox21-ror-cho-viability-p1 set3 1.4 0.7318584435 23.638287868 -23.638287868 0 4.9549173134 0.9374897118 0.0000281869 -22.06133272 -24.50272236 -24.79545546 -16.24937918 -27.25676088 -24.8021962 -22.85773639 -27.61523989 -3.95309219 0 0 0 2.90631704 -0.62514317 -4.08941857 1.5089999999E-9 3.373E-9 7.543E-9 1.6869999999E-8 3.771E-8 8.433E-8 1.8859999999E-7 4.217E-7 9.4289999999E-7 0.000002108 0.000004714 0.000010539999999 0.00002357 0.000052709999999 0.0001179 120-66-1 8443 144207486 A A N-Acetyl-o-toluidine O=C(C)Nc1ccccc1C Tox21_200288 -NCGC00258396-01 196730116 tox21-ror-cho-viability-p1 set3 4 3.5908842 -0.24637836 -1.18637974 3.28225171 1.98227315 4.61557056 2.97732311 1.53741679 -2.0176058 -1.28311968 1.55974299 3.76188214 0.45872478 1.30063608 -1.60692105 1.187E-9 2.6549999999E-9 5.936E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.3189999999E-7 7.42E-7 0.000001659 0.0000037099999999 0.0000082959999999 0.00001855 0.000041479999999 0.00009276 178631-04-4 12184591 144208040 A A 1-Methyl-3-octylimidazolium bis(trifluoromethylsulfonyl)imide FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C[n+]1ccn(CCCCCCCC)c1 Tox21_200842 -NCGC00258307-01 196730117 tox21-ror-cho-viability-p1 set3 4 0.38791061 0.68512249 -1.47820315 -1.40521845 0.97954343 1.37128441 0.86856897 2.60712839 0.82377531 0.07294532 -0.07719712 -1.06706676 1.44046371 -1.15787118 0.07027973 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004124 0.00009223 105-30-6 7745 144207951 A A 2-Methyl-1-pentanol CC(CCC)CO Tox21_200753 -NCGC00258500-01 196730121 tox21-ror-cho-viability-p1 set3 4 -22.26992058 0 -23.04502449 -1.87275808 0 -1.94262536 -2.81251822 0 0 0 -1.48391872 0 -10.67388512 -6.68379047 -0.28146962 1.1469999999E-9 2.5649999999E-9 5.735E-9 1.282E-8 2.868E-8 6.412E-8 1.434E-7 3.206E-7 7.169E-7 0.000001603 0.000003585 0.000008015 0.00001792 0.000040079999999 0.000089609999999 104-85-8 7724 144208145 A A 4-Methylbenzonitrile N#Cc1ccc(C)cc1 Tox21_200947 -NCGC00257123-01 196726871 tox21-ror-cho-viability-p1 set3 2.4 54.4826732819 21 2 23 1.9673362061 0.8898036999 0.0005282087 4.36265769 3.18712893 1.32819781 2.69336465 4.02390317 3.93162935 0.26535637 2.70041893 1.85626344 0.42282551 0.16240864 2.6813896 1.81426356 11.0873718 17.73771229 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66-71-7 1318 144213428 A A 1,10-Phenanthroline c1ccnc3c1ccc2cccnc23 Tox21_303111 -NCGC00257396-01 196726458 tox21-ror-cho-viability-p1 set3 4 -1.97779564 -3.25649966 0.53928494 -1.89318513 1.06241834 1.90485911 2.77485089 1.01975024 1.52613 3.85239155 4.2649878 -4.51669593 2.77463617 0 -2.99775249 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.0000189 0.00004225 0.00009448 108-68-9 7948 144213687 A A 3,5-Dimethylphenol Cc1cc(O)cc(C)c1 Tox21_303372 -NCGC00256629-01 196726861 tox21-ror-cho-viability-p1 set3 4 -3.35381735 -2.65412792 -3.15751953 -0.76174642 -3.02361108 -0.8194902 -25.38180777 -9.11686726 0 -2.80096579 -0.02271106 -2.87235794 -2.37505158 -4.46475608 -12.74070457 1.167E-9 2.609E-9 5.8339999999E-9 1.304E-8 2.917E-8 6.522E-8 1.458E-7 3.261E-7 7.2919999999E-7 0.000001631 0.000003646 0.000008153 0.00001823 0.00004077 0.00009115 1244-76-4 71612 144212880 A A Hydroxyzine hydrochloride Cl.Clc1ccc(cc1)C(c2ccccc2)N3CCN(CC3)CCOCCO Tox21_302563 -NCGC00256512-01 196726864 tox21-ror-cho-viability-p1 set3 -1.1 8.6349217992 -81.3894501633 0.4404596779 -80.9489904854 2.7867712143 0.9936182859 1E-10 -0.3615941 -0.22783205 -0.26155944 1.2489106 -0.30957693 -4.86745533 2.88768841 1.03291245 3.78266745 0.74166755 -10.57854214 -34.76747962 -74.6543408 -81.81273577 -77.91642496 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-47-4 6478 144213097 Hexachlorocyclopentadiene ClC=1C(Cl)=C(Cl)C(Cl)(Cl)C=1Cl Tox21_302780 -NCGC00256749-01 196726873 tox21-ror-cho-viability-p1 set3 4 -0.13243251 -0.05686939 3.12140098 2.12739963 3.66156491 -0.28569679 7.56236824 6.8456356 7.53322725 3.00344921 2.41795628 2.88031508 -3.15975802 3.31715711 -2.22542092 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 0.000091709999999 112226-61-6 114994 144212972 A A Halofenozide O=C(NN(C(=O)c1ccccc1)C(C)(C)C)c2ccc(Cl)cc2 Tox21_302655 -NCGC00256500-01 196726876 tox21-ror-cho-viability-p1 set3 4 3.77772518 1.55889246 2.72401399 3.61989747 2.44246524 3.47111825 3.61946495 0.32729771 -1.74570603 0.47270462 -0.56664015 0.33720515 0.42817576 1.25162363 -1.90325373 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-32-4 8467 144213220 A A 3-Ethoxy-4-hydroxybenzaldehyde CCOc1cc(ccc1O)C=O Tox21_302903 -NCGC00164168-02 196716208 tox21-ror-cho-viability-p1 set2 4 0.39120838 -2.48006833 -1.50590178 -2.55334968 0.85129391 -0.31006537 -2.48598047 0.60270436 -1.32067862 -2.22280223 -0.30532709 0.97730237 -2.17711993 -1.13642828 -7.53610713 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00257622-01 196715789 tox21-ror-cho-viability-p1 set2 4 -4.42142626 -0.94613094 0.12126743 1.46781817 -5.420255 2.26647032 0.63342565 -0.81395611 0.15736184 -1.49868666 -3.06359325 -4.76169394 1.84961495 -2.22718583 -7.09452107 1.1839999999E-9 2.647E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.619E-8 1.4799999999E-7 3.309E-7 7.4E-7 0.000001655 0.0000037 0.0000082729999999 0.0000185 0.00004137 0.0000925 102-07-8 7595 144207266 A A Diphenylurea O=C(Nc1ccccc1)Nc2ccccc2 Tox21_200068 -NCGC00258733-01 196715794 tox21-ror-cho-viability-p1 set2 4 12.1227658336 -10.683396264 2.5 -8.183396264 3.9899729863 0.7968137296 0.0085815282 3.74361838 4.67256374 1.10218767 0.57753148 5.43296678 2.37217257 -0.55623211 1.9665676 6.42668431 1.86127292 0.62907313 1.72361477 -7.06980863 -10.15283022 -5.49630203 1.1739999999E-9 2.625E-9 5.87E-9 1.3129999999E-8 2.9349999999E-8 6.5629999999E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003669 0.000008203 0.00001834 0.00004102 0.000091709999999 2645-07-0 17549 144208379 A A 4-Nitrohippuric acid O=[N+]([O-])c1ccc(cc1)C(=O)NCC(=O)O Tox21_201181 -NCGC00015675-08 196715801 tox21-ror-cho-viability-p1 set2 4 -0.265567 -0.36129732 0.83941282 -0.25264222 -0.21665554 -1.76961875 -0.6653418 -0.29599624 -0.31549967 -2.34919099 -0.23931342 -0.82993263 -0.10703824 -1.0234107 0.3810422 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00257646-01 196716209 tox21-ror-cho-viability-p1 set2 4 64.5654748181 -16.0272397799 0.5 -15.5272397799 3.2474983358 0.8382607252 0.0032343526 2.1024978 -3.28466925 0.60938351 0.23984874 0.68402073 2.00422235 0.90526794 3.59543938 -0.50917205 0.22260617 0.49457515 0.6767888 0.00748683 -2.77140018 -12.10603315 1.235E-9 2.762E-9 6.176E-9 1.381E-8 3.088E-8 6.905E-8 1.544E-7 3.453E-7 7.721E-7 0.0000017259999999 0.0000038599999999 0.000008632 0.000019299999999 0.000043159999999 0.00009651 961-11-5 13745 144207290 A A Tetrachlorovinphos Clc1cc(C(=CCl)OP(=O)(OC)OC)c(Cl)cc1Cl Tox21_200092 -NCGC00257794-01 196716212 tox21-ror-cho-viability-p1 set2 -1.1 13.6854287769 -92.040396875 -0.351864683 -92.392261558 3.0654483358 0.9662951165 9.372E-7 -2.46184283 -3.95603877 -2.86587426 -0.95912802 -0.30623211 -2.50432176 -0.31669689 -0.16080315 0.66383943 -0.4700207 -0.75998723 1.0259749 -80.5249148 -87.1549894 -87.49267193 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.299E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.00001844 0.00004124 0.00009222 506-61-6 10474 144207438 Potassium silver cyanide [Ag+].[K+].[C-]#N.[C-]#N Tox21_200240 -NCGC00258198-01 196716213 tox21-ror-cho-viability-p1 set2 4 13.7550451573 7.4707016959 -2.9707016959 4.5 3.5117481694 0.520978036 0.1614081625 -6.07858351 -1.4533144 -0.17552311 -9.55891808 -0.71568528 0.00631925 -0.28792374 -4.2353863 -0.44558641 -2.99179428 -4.56935575 -1.61602659 2.66375638 4.84131692 3.91345387 1.185E-9 2.6499999999E-9 5.9249999999E-9 1.325E-8 2.9629999999E-8 6.625E-8 1.481E-7 3.312E-7 7.406E-7 0.000001656 0.0000037029999999 0.000008281 0.00001852 0.0000414 0.00009258 79-04-9 6577 144207842 D Chloroacetyl chloride ClCC(Cl)=O Tox21_200644 -NCGC00257766-01 196716611 tox21-ror-cho-viability-p1 set2 4 27.9459419698 -9.328716696 1.5 -7.828716696 4.5044702849 0.7680335427 0.0201424443 1.43387299 3.50879655 2.0552238 1.14687631 0.94063981 4.0240422 0.88123102 0.21178182 2.08667343 -0.4531641 0.88107833 2.51368768 0.12142817 -6.52393058 3.2064187 1.203E-9 2.69E-9 6.015E-9 1.345E-8 3.0079999999E-8 6.725E-8 1.504E-7 3.3629999999E-7 7.519E-7 0.0000016809999999 0.0000037599999999 0.000008407 0.0000188 0.00004203 0.000093989999999 88917-22-0 3035467 144207410 FNS Dipropyleneglycol methyl ether acetate O=C(C)OC(CC)OCCCOC Tox21_200212 -NCGC00258444-01 196716615 tox21-ror-cho-viability-p1 set2 -3 67.4055501551 -38.321996364 -1.5 -39.821996364 4.9549173134 0.9138050705 0.0001522448 -4.12199704 1.80670619 -4.19791803 -0.4939882 -2.49269959 -1.54106514 0.5884023 -3.56034961 -3.02604654 -0.02467394 -3.01729483 -1.02083985 -2.86363496 1.99101516 -33.18499697 1.163E-9 2.602E-9 5.817E-9 1.301E-8 2.909E-8 6.5039999999E-8 1.454E-7 3.252E-7 7.2719999999E-7 0.0000016259999999 0.000003636 0.00000813 0.00001818 0.00004065 0.000090889999999 793-24-8 13101 144208088 A B N-(1,3-Dimethylbutyl)-N'-phenyl-p-phenylenediamine CC(C)CC(C)Nc1ccc(cc1)Nc2ccccc2 Tox21_200890 -NCGC00257802-01 196716628 tox21-ror-cho-viability-p1 set2 4 -2.44893192 0.68981453 -2.42214735 -0.75042215 1.00370479 -0.00869017 -4.04984464 -0.71796038 -1.15693859 -1.23729281 0.52327265 -0.38509259 -0.643778 -1.18399409 1.14998273 1.164E-9 2.603E-9 5.821E-9 1.302E-8 2.911E-8 6.508E-8 1.4549999999E-7 3.254E-7 7.276E-7 0.0000016269999999 0.0000036379999999 0.000008135 0.00001819 0.00004068 0.00009095 109-66-0 8003 144207446 FC Pentane CCCCC Tox21_200248 -NCGC00258305-01 196716632 tox21-ror-cho-viability-p1 set2 4 3.89235494 3.19037875 4.355416 5.34066771 5.14407092 6.31928995 0.89374483 3.22422511 5.31193467 -0.85870019 0.30934788 -3.07587988 1.95310814 1.1790733 0.24098359 1.2049999999E-9 2.695E-9 6.0249999999E-9 1.347E-8 3.013E-8 6.736E-8 1.506E-7 3.368E-7 7.5309999999E-7 0.0000016839999999 0.000003766 0.0000084199999999 0.000018829999999 0.0000421 0.000094139999999 88-16-4 6921 144207949 AC F 2-Chlorobenzotrifluoride FC(F)(F)c1ccccc1Cl Tox21_200751 -NCGC00258168-01 196716636 tox21-ror-cho-viability-p1 set2 4 -0.66408903 -2.00415283 -5.0673579 0.24614981 -2.46279936 1.60743478 -0.05046421 -2.5762849 -1.04716144 -0.7008366 -0.67877113 1.73710242 -0.07571952 -2.9656491 0.4712775 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.3529999999E-7 0.0000016439999999 0.0000036769999999 0.000008221 0.000018379999999 0.00004111 0.00009192 330671-29-9 53316409 144207812 A A 1-Butyl-1-methylpyrrolidinium hexafluorophosphate CCCC[N+]1(C)CCCC1.F[P-](F)(F)(F)(F)F Tox21_200614 -NCGC00024599-04 196713729 tox21-ror-cho-viability-p1 set2 4 0.35711853 0.19442217 0.63945593 -2.84911923 0.65706181 0.12526645 -0.12457926 -1.17072623 -1.11503199 0.80102835 -0.30789681 0.38876346 -1.27503574 -0.50113883 5.26879894 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1166-34-3 5475158 170466481 A Cinanserin CN(C)CCCSc2ccccc2NC(=O)/C=C/c1ccccc1 Tox21_110911_1 -NCGC00160439-02 196712728 tox21-ror-cho-viability-p1 set2 4 13.3331902297 16.500239604 -1.500239604 15 1.34431 0.8900913592 0.0005212851 0.56356357 -1.00027316 -2.74179039 -5.00019967 -2.3018419 -2.04553234 1.16568518 -2.07971989 -1.76970603 0.00851236 1.328963 1.20681502 3.43851978 8.60365865 13.39686827 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2210-77-7 24361 170466449 A Pyrrocaine O=C(Nc1c(C)cccc1C)CN2CCCC2 Tox21_111811_1 -NCGC00166000-04 196712729 tox21-ror-cho-viability-p1 set2 4 -6.10510346 -3.72980267 -5.274772 -6.66789336 -6.3508824 -5.13283583 -4.33915303 -3.95244636 -3.62492747 -4.66626376 -7.1429437 -1.6556977 -2.1555667 0.97027678 -0.26555049 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66108-95-0 3730 170464962 A Iohexol OCC(O)CNC(=O)c1c(I)c(N(CC(O)CO)C(C)=O)c(I)c(c1I)C(=O)NCC(O)CO Tox21_112286_1 -NCGC00015647-18 196712714 tox21-ror-cho-viability-p1 set2 -1.2 0.2371013766 -46.6375156919 6.5 -40.1375156919 1.0999999999 0.9269948016 0.0000640489 2.2334207 9.71089282 8.01760354 9.09554136 2.83424257 -1.19212286 -2.64087599 -16.5042485 -17.24767157 -23.82906144 -51.81946188 -37.7242853 -37.55294228 -38.46304252 -34.46172676 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 31430-18-9 4122 170466087 A Nocodazole O=C(c1cc2nc(NC(=O)OC)nc2cc1)c3cccs3 Tox21_110189_1 -NCGC00249917-01 196712725 tox21-ror-cho-viability-p1 set2 4 0.18930016 3.70185826 -0.82183244 1.03897016 1.18212962 1.42083116 -0.96845164 -0.51823398 2.46753305 3.75476059 -1.87993042 2.17014466 2.74250199 3.55777304 -0.98207539 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 24166-13-0 2816 170465787 A A Cloxazolam Clc1ccccc1C34OCCN4CC(=O)Nc2ccc(Cl)cc23 Tox21_113693 -NCGC00015675-11 196712731 tox21-ror-cho-viability-p1 set2 4 4.81710662 4.88672884 7.3145662 2.12665824 4.85793453 1.65392497 2.85237368 0.85063276 1.94148387 0.33089414 2.64012642 -1.83921736 -0.08917142 -0.24551038 2.25945049 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 78415-72-2 4197 170465221 A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_112113_1 -NCGC00015387-06 196712736 tox21-ror-cho-viability-p1 set2 4 1.41962691 -1.33322964 -1.29573711 -2.26697561 -3.02880698 -3.01694458 -2.34885891 -0.9349671 -3.40747725 0.7966848 1.68291237 -0.16392966 -0.69885267 -2.47920895 -3.24426469 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56-06-4 2944 170466674 Z 2,4-Diamino-6-hydroxypyrimidine NC1=CC(=O)N=C(N)N1 Tox21_113576_1 -NCGC00182047-03 196713132 tox21-ror-cho-viability-p1 set2 4 29.8492948118 17.185706744 -1.685706744 15.5 4.0949729863 0.7427687752 0.021936967 -2.51313294 -4.04426562 -2.62186292 -3.00034408 1.19561546 -2.22629185 -1.53100888 2.05297722 1.01778791 -3.45462854 -1.72797884 -5.15475562 2.42903691 1.2314947 13.06814083 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21679-14-1 657237 170464764 F Fludarabine phosphate Nc3nc(F)nc2c3ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O Tox21_113419_1 -NCGC00160645-02 196713136 tox21-ror-cho-viability-p1 set2 4 0.40179225 -1.12184541 -0.2159099 -1.04627587 6.32735353 7.11544646 0.83295851 -0.03440804 -1.34932956 -0.72556823 1.41089815 0.51053201 1.38046939 6.9290662 8.86266547 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 18109-81-4 28891 170466404 A Butamirate citrate CCC(C(=O)OCCOCCN(CC)CC)c1ccccc1.O=C(O)C(O)(CC(=O)O)CC(=O)O Tox21_111952_1 -NCGC00160517-03 196713139 tox21-ror-cho-viability-p1 set2 4 1.13435241 1.73627045 -0.7453418 1.95009133 -1.16921889 1.96357852 -1.04136494 -0.38763197 2.17305772 1.88691897 0.37151106 -0.19391793 2.6247364 0.81425008 3.75181316 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5355-16-8 21453 170466394 A Diaveridine Nc2nc(N)ncc2Cc1ccc(OC)c(OC)c1 Tox21_111866_1 -NCGC00164168-02 196713140 tox21-ror-cho-viability-p1 set2 4 -5.64752696 -3.98688769 -1.37374422 -1.42048728 -3.80168949 -4.79373099 -2.99943417 -1.08603173 -0.39169389 -2.24592774 -3.26381463 -0.1183423 -1.57889845 -3.94999877 -7.21747669 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00091830-04 196713147 tox21-ror-cho-viability-p1 set2 4 0.00118641 -0.16824091 1.1862785 0.98960178 1.79987872 -0.38327987 1.12139727 0.56703015 -0.75089462 0.22072533 1.83013073 0.11734008 -0.20611993 -0.56332518 0.66158282 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00181915-01 196713549 tox21-ror-cho-viability-p1 set2 4 1.333319023 -14.275636924 7.5 -6.775636924 0.3 0.6899398027 0.043285658 8.56086619 7.76049676 1.80803845 5.94533371 2.52724438 3.56049555 1.00111903 5.10487992 4.04039059 1.75470938 -1.10005998 -2.92520346 -1.8883726 0.72243483 -4.81303077 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118635-52-2 164072 144206887 B C Mepranoprofen arbamel CN(C)C(=O)COC(=O)C(C)c1cc2Cc3ccc(C)nc3Oc2cc1 Tox21_113336 -NCGC00015191-13 196725237 tox21-ror-cho-viability-p1 set3 4 0.1059092946 -3.416701616 1 -2.416701616 4.9549173134 0.3666770477 0.3249145549 0.11899958 -1.14351052 6.88078807 0.68329786 -1.19947429 -0.16976473 0.59715785 -2.25199655 -4.26000188 -4.93058468 -2.0226704 -1.45443779 0.05277105 -1.78413764 1.45013972 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80-77-3 2717 170465161 A Chlormezanone O=C1CCS(=O)(=O)C(N1C)c2ccc(Cl)cc2 Tox21_110093_1 -NCGC00015156-15 196725239 tox21-ror-cho-viability-p1 set3 4 0 -8.9785048 3.8868304 -9.98063341 -6.3847719 -7.49628673 -8.67934343 1.78666909 0.77984217 4.45786067 3.62341578 -7.09054874 -8.40168402 0.4338435 -8.40244208 5.899E-12 1.319E-11 2.949E-11 6.595E-11 1.475E-10 3.2969999999E-10 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 1134-47-0 2284 170465099 A Baclofen Clc1ccc(cc1)C(CN)CC(=O)O Tox21_110090_1 -NCGC00024016-03 196725227 tox21-ror-cho-viability-p1 set3 2.4 37.5780357627 27.763199472 2.236800528 30 4.9549173134 0.8617033973 0.0015562154 1.74091912 1.33320143 -0.18558944 2.51406168 1.99797109 1.44687818 1.59794084 3.50417495 5.81566866 6.7517207 2.08589555 3.21594796 -1.88599956 0.57275831 24.8377512 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57524-89-7 5282494 170464775 A Hydrocortisone valerate OCC(=O)[C@@]4(OC(=O)CCCC)CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_110853_1 -NCGC00015007-14 196725235 tox21-ror-cho-viability-p1 set3 4 0.16913013 -1.78764662 -0.497366 -0.24415239 0.73343371 2.1556433 0.01590494 2.03422497 3.049118 -0.60208985 -0.55068005 3.19475032 0.03917439 -1.16666918 2.54212067 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56715-13-0 180559 170464744 A R-(+)-Atenolol CC(C)NC[C@@H](O)COc1ccc(cc1)CC(N)=O Tox21_111211_1 -NCGC00016274-10 196725641 tox21-ror-cho-viability-p1 set3 2.4 18.8336317891 32.984505776 3.015494224 36 0.7999999999 0.6869958916 0.0441203895 -1.44246469 -0.02968584 -2.07042148 2.88518538 2.21848773 5.96878019 7.59577569 10.90361512 3.49296887 13.84380739 1.98629755 6.04361261 19.6191736 14.00584352 29.78901968 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60-80-0 2206 170465510 A Phenazone O=C2C=C(C)N(C)N2c1ccccc1 Tox21_110342_1 -NCGC00185743-02 196725643 tox21-ror-cho-viability-p1 set3 -2.1 21.1316824289 -72.647641349 -2.455106701 -75.10274805 3.0654483358 0.9101858382 0.0001870417 0.74740272 -13.81859547 -4.38509949 -10.24574464 -1.99515763 -2.94769847 -8.39289767 -8.81795092 3.30870382 1.31284543 5.15504576 3.66085637 -0.21292541 -38.33323134 -69.39602125 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 369-77-7 9719 170465550 A Cloflucarban FC(F)(F)c1cc(ccc1Cl)NC(=O)Nc2ccc(Cl)cc2 Tox21_113070_1 -NCGC00091261-03 196725645 tox21-ror-cho-viability-p1 set3 -2.4 48.5577336745 -34.57967854 1.5 -33.07967854 2.4063783767 0.923245146 0.0000836198 -1.10082714 1.55036367 4.13179039 0.72905915 -1.76050947 -0.64675472 6.16973504 0.10642912 2.27950654 4.22663973 -1.07936851 3.11488516 -1.30352936 -12.79793519 -26.73306545 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00183856-01 196725655 tox21-ror-cho-viability-p1 set3 4 33.4914596268 -26.287438116 0 -26.287438116 4.5044702849 0.5361227735 0.1468915459 0 0 1.46863377 3.62748756 4.26286757 4.28753084 5.01636991 -10.83762137 1.87798704 -11.87252515 2.33267006 5.31948184 -4.28966145 -2.6841436 -21.90619843 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2020-25-9 4783 144206805 A A Phenyl 11-iodo-10-undecynoate O=C(Oc1ccccc1)CCCCCCCCC#CI Tox21_113254 -NCGC00274066-01 196726047 tox21-ror-cho-viability-p1 set3 4 0.0084126743 8.944641328 0.055358672 9 4.9549173134 0.3311600592 0.3532529298 3.64551995 -0.78630446 -0.94837552 0.37994481 17.19363308 14.17949965 10.21929759 0 12.0519199 12.1716698 13.67614511 6.20895593 5.24917836 -1.62053444 -2.04679245 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 518048-05-0 54671008 170466888 A Raltegravir Cc1nnc(o1)C(=O)NC(C)(C)C3=NC(C(=O)NCc2ccc(F)cc2)=C(O)C(=O)N3C Tox21_113019_1 -NCGC00096014-03 196726048 tox21-ror-cho-viability-p1 set3 4 6.6824247267 18.7772416561 1.2227583439 20 0.8999999999 0.4791326892 0.1970862446 -9.39770138 -3.41790851 6.35483145 10.12454091 11.01539693 -3.9009152 1.24497396 4.12882346 -2.12891609 4.1452003 0.70257761 12.05651989 11.08265942 19.10796235 13.86252163 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 552-94-3 5161 170465545 A Salsalate O=C(Oc1ccccc1C(=O)O)c2ccccc2O Tox21_111548_1 -NCGC00179673-03 196726051 tox21-ror-cho-viability-p1 set3 4 4.18282981 -0.57090214 4.47857505 3.72013113 -4.86261912 -1.0465274 -2.8408585 -2.30942779 -1.71580302 -2.24718478 -4.89902979 -2.31613004 -3.6801602 0.01769701 1.72089887 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54-42-2 5905 170465014 Ac Idoxuridine IC1=CN(C(=O)NC1=O)[C@H]2C[C@H](O)[C@@H](CO)O2 Tox21_110324_1 -NCGC00253593-01 196726061 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -53.0667614389 -4.095301987 -57.1620634259 4.9549173134 0.9255015411 0.000071334 -3.49468668 -13.08563594 -5.11820506 -3.4931392 -2.59109858 -3.41423751 -2.98660237 -0.33514024 -7.72840909 -3.47998704 0.81085897 -4.49276137 -3.81473627 -4.63485938 -50.1421609 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 30392-40-6 35330 170465239 B F Bitolterol O=C(Oc2cc(ccc2OC(=O)c1ccc(C)cc1)C(O)CNC(C)(C)C)c3ccc(C)cc3 Tox21_113730 -NCGC00254008-01 196698692 tox21-ror-cho-viability-p1 set1 4 21.6899429044 -12.204704676 0.5 -11.704704676 4.9549173134 0.3329516447 0.3520503737 -2.52437906 -0.04186995 3.71341347 4.55393076 0.42074504 0.47465053 -0.19022393 -0.07642646 6.01380097 -12.67058723 2.5836417 4.90120492 -3.50152796 -10.95412251 -0.2479125 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-82-9 7622 144210340 FNS Tributylamine CCCCN(CCCC)CCCC Tox21_300020 -NCGC00254663-01 196698681 tox21-ror-cho-viability-p1 set1 4 1.10839184 0.8058144 -1.1723935 -0.52452343 1.68797559 1.33717849 1.87617611 2.2266753 0.85552649 0.76831232 -6.36698671 0.38980611 -5.86433753 0.42977558 0.36045874 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-18-7 14871 144211076 A A 1-Monolaurin OCC(O)COC(=O)CCCCCCCCCCC Tox21_300759 -NCGC00254763-01 196698687 tox21-ror-cho-viability-p1 set1 4 -1.02240522 0.58544588 0.08762264 -0.09321266 -0.45038574 0.31885411 2.01092788 -0.5810969 -0.23692474 0.2744805 1.76888302 1.70132952 -0.61411739 3.0137712 0.34976385 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 52-68-6 5853 144211177 A A Trichlorfon OC(C(Cl)(Cl)Cl)P(=O)(OC)OC Tox21_300860 -NCGC00254879-01 196698691 tox21-ror-cho-viability-p1 set1 4 -3.31108785 -5.01489016 -2.77103217 0.57573429 1.71075162 -1.46231388 -0.13375695 0.36341459 -3.95495292 0.17030115 -0.16446921 1.35167101 -0.33613286 1.08660278 -0.13427933 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18479-57-7 86751 144211294 A A 2,6-Dimethyloctan-2-ol CC(C)(O)CCCC(C)CC Tox21_300977 -NCGC00091086-02 196699091 tox21-ror-cho-viability-p1 set1 4 0.3063785869 5.005177076 -3.505177076 1.5 4.9549173134 0.3502451858 0.3370814952 -8.43545342 0.16507199 -0.31591003 1.24511827 -8.75431423 0.47421566 -8.44056522 0.40673081 1.69647693 0.22981421 0.38039375 1.83549524 1.74965872 2.82875666 -2.056607 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00254710-01 196699099 tox21-ror-cho-viability-p1 set1 4 3.77211132 -1.19994259 -0.74387328 1.03685048 -2.15315234 -2.66896855 4.43936728 -0.44314558 5.49976601 -0.6118245 3.87858234 5.01805791 9.41306842 -2.01569085 -1.99568913 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 6923-22-4 5371562 144211123 A B Monocrotophos O=P(OC)(OC)OC(\C)=C\C(=O)NC Tox21_300806 -NCGC00254588-01 196699108 tox21-ror-cho-viability-p1 set1 4 -3.1358761 3.0810956 -4.28844734 -2.79910994 -4.82430761 -0.47140794 0.87678504 -2.47125955 3.83315518 0.47201928 3.29873907 -0.81547008 2.31004229 4.9467169 -4.41276275 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.00000369 0.000008252 0.000018449999999 0.000041259999999 0.00009226 57966-95-7 5364079 144210997 A C Cymoxanil N#C/C(=N\OC)C(=O)NC(=O)NCC Tox21_300680 -NCGC00254493-01 196699111 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -91.6320559212 -0.254326628 -91.8863825492 4.9549173134 0.9918350445 3E-10 1.23631857 -2.92221841 -1.3241517 0.4950239 -1.98908919 0.83023823 -2.41459183 2.63343886 -1.58548874 -2.7308892 -0.08188243 -0.14479982 1.55462149 -5.54648477 -74.90982742 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 291305-06-1 9908126 144210776 A A UK-373911 NS(=O)(=O)c1ccc2c(c1)[C@H](CC[C@H]2c3ccc(Cl)c(Cl)c3)NC Tox21_300458 -NCGC00254175-01 196699504 tox21-ror-cho-viability-p1 set1 4 -3.32526573 -2.70599008 -0.45249584 -3.35096769 -4.25478569 1.34269523 -1.60315146 -1.84241039 -2.33288589 -5.08478281 -3.46138142 -0.21421224 -2.54189906 -3.38523561 -6.62008765 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-52-4 7095 144210487 A Ac Biphenyl c1cc(ccc1)c2ccccc2 Tox21_300167 -NCGC00255004-01 196699510 tox21-ror-cho-viability-p1 set1 4 -3.32492984 0.25519872 -0.14002327 -3.78890037 -0.48468818 0.1567067 1.90333876 2.04338405 0.25410205 1.4070289 0.98240694 0.04699782 1.67319412 0.46395454 2.70520326 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 11099-07-3 24699 144211421 A F Glyceryl stearates OCC(O)COC(=O)CCCCCCCCCCCCCCCCC Tox21_301104 -NCGC00254470-01 196699513 tox21-ror-cho-viability-p1 set1 4 27.3060203028 11.154562432 -3.154562432 8 0.3 0.3836722684 0.2904047408 -4.02520254 -0.55928676 0.06896399 -7.21213536 -3.17360508 1.01205729 3.03522902 -3.09436241 1.30650461 -0.49902269 -0.74788992 -0.82951234 4.4057132 0.56998099 5.81958255 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 335-76-2 9555 144210925 PFDA FC(F)(C(F)(F)C(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300608 -NCGC00015099-11 196722367 tox21-ror-cho-viability-p1 set3 4 0.3757803576 15.586095036 -7.086095036 8.5 2.7202212143 0.6544742496 0.0613807033 -3.95451603 -12.83477038 -8.85578912 -14.14427613 0 0 -14.23841253 0 -3.26990678 11.88195384 10.17222169 7.02819502 1.19221883 6.52259154 15.3348006 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13655-52-2 2119 170465812 A Alprenolol CC(C)NCC(O)COc1ccccc1CC=C Tox21_110084_1 -NCGC00259614-01 196721958 tox21-ror-cho-viability-p1 set3 4 -7.46483571 -2.6635687 -2.51588494 2.09381847 -3.45994664 -6.14517144 -5.0509776 -5.29929148 -6.50312674 -3.78164782 -6.10306811 -4.78504494 -4.9166172 0.37693913 1.93025749 1.166E-9 2.608E-9 5.832E-9 1.304E-8 2.9159999999E-8 6.521E-8 1.458E-7 3.26E-7 7.2899999999E-7 0.0000016299999999 0.000003645 0.0000081509999999 0.00001823 0.00004075 0.000091129999999 110-27-0 8042 144209263 A F Isopropyl tetradecanoic acid CC(C)OC(=O)CCCCCCCCCCCCC Tox21_202065 -NCGC00013095-10 196723430 tox21-ror-cho-viability-p1 set3 4 0.2984929481 -5.0217809159 3 -2.0217809159 4.9549173134 0.325958764 0.3592523687 0.2355366 -4.27132339 8.84852953 4.8161247 8.0190905 -1.07994363 4.68655391 4.42714224 -1.22229486 0.68556656 -3.69218465 -1.29417201 -6.68481743 0.79581012 8.96024708 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 106-24-1 637566 170465692 F Geraniol C\C(C)=C\CCC(\C)=C\CO Tox21_110010_1 -NCGC00014993-12 196723436 tox21-ror-cho-viability-p1 set3 4 1.8833631789 -7.992094028 0.5 -7.492094028 4.4494702849 0.5102544648 0.186667229 4.23372994 -4.26984175 4.16698266 -3.03787368 -2.77793321 4.23619935 -1.85225655 2.64511449 -2.63437855 5.73971406 -4.31102622 -8.74341169 -7.646 -5.41313397 5.96428122 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123-99-9 2266 170465358 A Nonanedioic acid O=C(O)CCCCCCCC(=O)O Tox21_110063_1 -NCGC00016991-05 196723441 tox21-ror-cho-viability-p1 set3 4 21.1316824289 14.8176061879 -1.3176061879 13.5 3.5117481694 0.6162024776 0.0859521908 0.95677618 0.31229344 3.19320491 -3.54068069 1.10618268 -1.11041521 -6.12475739 -4.27277376 1.39356335 1.160938 -1.46324987 -4.34214165 -6.93133849 7.98153329 12.04234928 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5875-06-9 517321 170465400 A Proparacaine Cl.CCN(CC)CCOC(=O)c1ccc(OCCC)c(N)c1 Tox21_113547_1 -NCGC00015619-13 196723443 tox21-ror-cho-viability-p1 set3 4 4.2163249602 9.379438056 -0.879438056 8.5 1.752947691 0.6351235626 0.0865442677 -2.57077288 1.30349343 2.04164232 -5.31619838 2.02620447 -1.56240203 -3.55243948 -3.04485896 2.59448327 -1.92202236 1.13301984 4.00396849 6.08077231 8.0784588 -1.99256834 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79794-75-5 3957 170464867 A Loratadine Clc3cc4CCc1cccnc1C(=C2/CCN(CC2)C(=O)OCC)\c4cc3 Tox21_110185_1 -NCGC00181795-02 196723445 tox21-ror-cho-viability-p1 set3 4 5.95596723 1.25305 -0.04994057 4.51437436 2.40330689 4.26015659 5.14515514 7.1840172 0.63755635 -2.77279277 6.57054477 0.57570867 -3.62119965 5.29173819 0.62071222 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 220991-20-8 151166 170465597 A Lumiracoxib Clc2cccc(F)c2Nc1ccc(C)cc1CC(=O)O Tox21_113566_1 -NCGC00259908-01 196721018 tox21-ror-cho-viability-p1 set3 4 42.7934611113 15.1500099319 -3.6500099319 11.5 3.0654483358 0.6611999241 0.058016922 -7.20834161 0.2637806 -1.61005537 3.46414335 -4.12588319 -5.91095549 -5.09798085 -4.07393913 -2.71830939 -2.94657014 -5.37790039 -4.00432301 -5.73058367 4.36655828 9.9849225 1.1689999999E-9 2.6129999999E-9 5.843E-9 1.3069999999E-8 2.9209999999E-8 6.5329999999E-8 1.461E-7 3.2659999999E-7 7.304E-7 0.0000016329999999 0.000003652 0.000008166 0.00001826 0.000040829999999 0.00009129 92-87-5 7111 144209557 A A Benzidine Nc1ccc(cc1)c2ccc(N)cc2 Tox21_202359 -NCGC00090708-05 196720612 tox21-ror-cho-viability-p1 set3 -1.2 7.6958821542 -31.4487696522 -6.196516399 -37.6452860512 2.7202212143 0.8836357562 0.0006793721 -12.57401654 -12.50063284 -7.84384437 -1.73686282 -12.68205799 -8.55075047 -3.32432806 -2.29439631 -4.24846754 -5.88476793 -9.88963781 -21.12057712 -37.7016797 -42.85967297 -30.31986356 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00259912-01 196721004 tox21-ror-cho-viability-p1 set3 4 -5.93403705 -1.52137385 4.91997181 -10.41643992 -0.7064221 -2.39256532 -5.89073839 -2.83206094 -5.70504988 0.04985149 -3.98628806 -2.19471509 -2.08557461 -9.75734121 -7.30090534 1.208E-9 2.702E-9 6.041E-9 1.3509999999E-8 3.021E-8 6.754E-8 1.51E-7 3.3769999999E-7 7.552E-7 0.000001689 0.0000037759999999 0.0000084429999999 0.00001888 0.00004222 0.0000944 79-43-6 6597 144209561 A A Dichloroacetic acid ClC(Cl)C(=O)O Tox21_202363 -NCGC00258873-01 196721012 tox21-ror-cho-viability-p1 set3 2.4 30.5444110439 27.259687472 -1.259687472 26 0.7999999999 0.7465679291 0.0205447569 2.56041822 -9.79973956 -2.55906631 -4.55245108 -1.65646857 2.92739985 0.61862282 3.6202631 2.16096752 -3.51957329 5.0881604 7.14441349 4.99581007 16.16511705 18.84039046 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.3529999999E-7 0.0000016439999999 0.0000036769999999 0.000008221 0.000018379999999 0.00004111 0.00009192 29385-43-1 122499 144208519 FC Tolyltriazole Cc1cccc2nnnc12 Tox21_201321 -NCGC00259377-01 196721414 tox21-ror-cho-viability-p1 set3 4 -9.81144248 -5.5853385 -5.48006596 -7.1511868 -4.41327492 -8.44793234 -3.6373352 -5.73616369 -5.28357263 -5.05632822 -7.97671073 -6.13394356 -6.31188902 -3.59756462 -7.26616965 1.182E-9 2.6429999999E-9 5.9109999999E-9 1.322E-8 2.955E-8 6.608E-8 1.4779999999E-7 3.304E-7 7.388E-7 0.0000016519999999 0.0000036939999999 0.0000082599999999 0.000018469999999 0.000041299999999 0.00009235 583-39-1 707035 144209026 A A 2-Mercaptobenzimidazole S=C1Nc2ccccc2N1 Tox21_201828 -NCGC00259579-01 196721419 tox21-ror-cho-viability-p1 set3 -2.2 30.4821390594 -44.2183658681 -3.352905063 -47.5712709311 3.1319983358 0.9382530204 0.0000263762 -5.70021245 -2.58531937 1.75262213 3.97564341 -1.50075531 -8.42236222 -6.61994708 -6.21892807 -4.45144117 -2.98191414 -6.25170699 -0.73988057 -12.65711131 -33.27056733 -49.55340722 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003673 0.0000082119999999 0.000018359999999 0.00004106 0.000091819999999 101-20-2 7547 144209228 A A Triclocarban Clc2ccc(NC(=O)Nc1ccc(Cl)cc1)cc2Cl Tox21_202030 -NCGC00259359-01 196721420 tox21-ror-cho-viability-p1 set3 4 -6.12207376 -5.46585417 -2.50307987 0.57747475 -6.312298 -4.96480124 -5.26296163 -4.44236585 -4.05480979 -2.08794853 -3.40721605 -4.62780678 -4.35649184 -2.04787784 -0.72629476 1.2089999999E-9 2.702E-9 6.0429999999E-9 1.3509999999E-8 3.021E-8 6.7559999999E-8 1.511E-7 3.3779999999E-7 7.5529999999E-7 0.000001689 0.000003777 0.000008445 0.00001888 0.00004222 0.00009441 92-48-8 7092 144209008 A A 6-Methyl coumarin Cc1ccc2OC(=O)C=Cc2c1 Tox21_201810 -NCGC00091902-08 196728554 tox21-ror-cho-viability-p1 set3 4 34.3762428541 -13.338180736 3.5 -9.838180736 1.2221 0.6094751626 0.0909637046 0 2.00475207 0.3879903 2.58570269 5.43266384 3.41623624 5.57174435 5.23563458 4.74590214 7.39589695 2.78767813 -0.25925446 -3.74728391 0.75329872 -9.03181728 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00091632-02 196727321 tox21-ror-cho-viability-p1 set3 4 5.41986371 4.42440164 -2.39468566 2.91503562 0.2481383 -2.14324207 -0.33412174 -0.1590581 0.21841415 -1.55875374 -0.08430401 6.44845923 2.57006802 2.93178829 2.05364497 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00256955-01 196727719 tox21-ror-cho-viability-p1 set3 4 -4.36138077 1.70378628 1.20280973 1.45098227 -1.7066783 -12.31816672 -24.95475771 0 0 -1.21605288 -0.51678948 -4.44136248 1.29668137 -3.88521971 -0.64524607 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1498-51-7 15158 144213476 F A Ethyl dichlorophosphate ClP(Cl)(=O)OCC Tox21_303159 -NCGC00164127-03 196727727 tox21-ror-cho-viability-p1 set3 -2.2 54.4826732819 -54.4725009682 -5.143318251 -59.6158192192 2.4063783767 0.675776553 0.049642524 -0.19600899 -2.53812098 -1.98472432 -2.28267991 -2.41226732 -0.19953885 3.61816795 -18.75747376 -17.8626239 -22.25719078 0 3.17824796 -5.56933975 -24.27305225 -47.81501456 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00257506-01 196727737 tox21-ror-cho-viability-p1 set3 4 0.0172289341 -6.1509159359 5 -1.1509159359 4.9549173134 0.6303933388 0.0773781948 6.98306292 5.00331959 2.428812 5.55375738 -3.42116317 -3.83519962 -3.87576328 -0.83606521 0.30977102 -1.04016232 -1.85938202 0.46072301 -0.06673714 2.62027851 0.553791 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-70-6 8129 144213780 B A 1-Heptanol CCCCCCCO Tox21_303470 -NCGC00255942-01 196728148 tox21-ror-cho-viability-p1 set3 4 6.1130564862 17.1771185 -4.1771185 13 4.9549173134 0.6974150045 0.0481885779 1.05558342 -7.43499147 -8.19665161 -0.91560392 -7.75185032 -6.56769777 -3.17823272 -4.10375502 -8.37568107 6.85736191 -8.89759875 12.90112124 12.34162962 11.5663178 0.75277316 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 39196-18-4 38235 144212168 A A Thiofanox O=C(O\N=C(\CSC)C(C)(C)C)NC Tox21_301851 -NCGC00255908-01 196728550 tox21-ror-cho-viability-p1 set3 4 2.56162623 17.11779688 9.09590276 5.06429953 4.3756917 -0.76134649 3.39990621 11.22533542 14.8292093 4.68452117 1.63496238 2.67355897 5.20471923 2.70189887 1.00517584 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 383-63-1 9794 144211626 Fns Ethyl trifluoroacetate FC(F)(F)C(=O)OCC Tox21_301309 -NCGC00164164-02 196728967 tox21-ror-cho-viability-p1 set3 4 3.2550801 -4.66719084 0.59648553 -2.21505314 2.42419162 3.05734808 9.10541275 -8.63596471 5.88559646 10.99168664 -1.69393674 -2.99771763 -1.01430147 -4.52775313 2.32728497 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00091210-02 196728969 tox21-ror-cho-viability-p1 set3 4 5.4482673282 -6.8711825279 1.5 -5.3711825279 4.9549173134 0.7446917647 0.0215012336 1.04604136 1.96213947 -0.97185495 -0.99534489 -0.27748554 0.5597287 4.06874072 2.36234501 0.62526721 1.84075354 3.31705099 -6.86371628 -3.72173887 -6.97598544 -4.48910088 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00255466-01 196728971 tox21-ror-cho-viability-p1 set3 4 13.6436872452 -13.883718516 3 -10.883718516 0.4 0.5893858756 0.1054323142 0 3.27984488 4.79840759 6.29213494 -0.15217917 0.2639099 -3.67600713 5.74585356 -0.01159141 -2.38924689 -3.96926618 -2.8897537 -1.90329465 -4.80424052 -9.06976543 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 2327-02-8 16854 144212575 A A 3,4-Dichlorophenylurea Clc1ccc(NC(N)=O)cc1Cl Tox21_302258 -NCGC00255562-01 196728978 tox21-ror-cho-viability-p1 set3 4 1.06132642 3.01869849 -0.07510119 6.48042489 6.54149645 1.09068785 0.88828556 1.34548556 0.43213608 2.20425441 3.1926212 1.60380779 0.93241338 1.7904543 2.24095883 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22204-53-1 156391 144212270 A A Naproxen O=C(O)[C@@H](C)c1ccc2cc(ccc2c1)OC Tox21_301953 -NCGC00256246-01 196728986 tox21-ror-cho-viability-p1 set3 4 0.22169246 -1.18344724 5.05026898 -6.13881674 1.85877264 10.49386147 -6.7226095 5.90435746 -10.74976521 7.8890644 -9.13888376 11.62232878 8.52745723 7.68847506 3.6812072 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67024-46-8 106701 144211549 A Fns Propan-2-yl 2-ethylhexanoate CC(C)OC(=O)C(CCCC)CC Tox21_301232 -NCGC00256013-01 196701133 tox21-ror-cho-viability-p1 set1 4 -2.33806061 -3.3961234 -2.44527547 -1.84711931 -2.41222784 -1.2866349 -2.92224882 -2.86986531 -4.31151009 -0.93695441 0.95113238 -1.34864404 0.44571315 -0.23950163 -0.29638202 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3027-21-2 18193 144211560 F F Dimethoxy(methyl)phenylsilane CO[Si](C)(OC)c1ccccc1 Tox21_301243 -NCGC00274078-01 196712749 tox21-ror-cho-viability-p1 set2 4 1.40978125 -0.73576015 0.47193395 -1.72780249 -0.66324548 0.58518395 1.16060818 1.42850477 1.4490463 -0.8254428 0.5933188 1.12534403 -0.30283721 2.32024647 -0.79341346 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127-31-1 31378 170464959 F Fludrocortisone OCC(=O)[C@@]4(O)CC[C@@H]2[C@]4(C)C[C@H](O)[C@]1(F)[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_113344_1 -NCGC00164541-03 196712760 tox21-ror-cho-viability-p1 set2 4 37.5780357627 -13.4336272719 -2 -15.4336272719 4.9549173134 0.7902768588 0.0099388015 -2.05601644 -1.7518611 -4.23220148 -3.6380719 -0.44188067 -2.5957668 -3.26203309 -2.02506636 -1.25616323 -2.01748411 -1.67880364 -0.14293203 0.05055573 0.15331646 -12.86135606 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 547-44-4 11033 170466277 A Sulfacarbamide Nc1ccc(cc1)S(=O)(=O)NC(N)=O Tox21_112170_1 -NCGC00257644-01 196701534 tox21-ror-cho-viability-p1 set1 4 -11.13854488 -11.58739579 -12.99001137 -6.92543343 -12.20593204 -11.74756921 -16.95364216 -11.6735739 -6.92827307 -10.38068007 -12.07129055 -15.86436145 -14.76585916 -11.39820002 -16.31682698 1.175E-9 2.628E-9 5.877E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.346E-7 0.000001643 0.000003673 0.0000082129999999 0.000018359999999 0.00004107 0.000091819999999 645-09-0 12576 144207288 A A 3-Nitrobenzamide O=[N+]([O-])c1cc(ccc1)C(N)=O Tox21_200090 -NCGC00255475-01 196701134 tox21-ror-cho-viability-p1 set1 4 0.685896219 -9.7434241359 -2 -11.7434241359 3.1319983358 0.5569337887 0.1299325409 0.76572651 -3.13502626 1.58688614 -14.11712111 1.78466981 -1.33493704 2.29953395 -3.59359123 -7.28025215 -12.93233095 -10.52640442 -11.45191368 -14.78618678 -6.01654359 -13.83741142 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 557-34-6 11192 144212333 A Zinc acetate [Zn+2].[O-]C(C)=O.[O-]C(C)=O Tox21_302016 -NCGC00257893-01 196701533 tox21-ror-cho-viability-p1 set1 4 24.4850856083 -27.5862982919 -4.438336184 -32.0246344759 0.3 0.6677709807 0.0541976066 -2.03194682 -8.63626478 -11.85389473 -6.2397497 -9.71569887 -5.22792205 -14.95694914 -8.30209551 -9.43823539 -12.95797668 -14.48013108 -16.10214452 -18.13522522 -13.73587876 -25.02052873 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003707 0.0000082899999999 0.00001854 0.00004145 0.00009269 608-71-9 11852 144207537 A A Pentabromophenol Brc1c(O)c(Br)c(Br)c(Br)c1Br Tox21_200339 -NCGC00258320-01 196701535 tox21-ror-cho-viability-p1 set1 4 -2.78133126 0.06918192 -2.15804208 -2.42202896 -4.84999328 -2.05294982 0.34193726 1.32904814 1.84962821 -2.92378715 -3.2088394 -1.28904166 -0.02559905 -1.97040708 3.74726475 1.2069999999E-9 2.699E-9 6.0359999999E-9 1.3499999999E-8 3.0179999999E-8 6.7479999999E-8 1.509E-7 3.3739999999E-7 7.5449999999E-7 0.000001687 0.0000037719999999 0.000008435 0.00001886 0.00004218 0.00009431 1477-55-0 15133 144207964 D 1,3-Benzenedimethanamine NCc1cccc(CN)c1 Tox21_200766 -NCGC00257993-01 196701540 tox21-ror-cho-viability-p1 set1 4 -10.41129124 3.09710675 8.01563484 -2.24438739 4.44780568 -5.48672544 3.47251972 -7.17409533 3.82008622 -8.47196371 4.0489871 -2.09268904 2.62441205 0.32668379 5.52269456 1.1919999999E-9 2.6659999999E-9 5.962E-9 1.333E-8 2.981E-8 6.6659999999E-8 1.491E-7 3.3329999999E-7 7.4529999999E-7 0.0000016659999999 0.000003726 0.000008332 0.00001863 0.00004166 0.00009316 115-27-5 8265 144207637 A A Chlorendic anhydride ClC2=C(Cl)C3(Cl)C1C(C(=O)OC1=O)C2(Cl)C3(Cl)Cl Tox21_200439 -NCGC00258414-01 196701547 tox21-ror-cho-viability-p1 set1 4 3.50509851 -2.74487708 0.85969916 1.70885748 -0.52263926 -0.64089547 4.77119548 4.27353715 6.47593207 3.05669245 2.35026431 0.08081996 3.21197264 1.81268889 1.31916078 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.314E-8 2.9369999999E-8 6.568E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.000003672 0.00000821 0.000018359999999 0.000041049999999 0.00009179 1975-78-6 74791 144208058 A Ac Decanenitrile CCCCCCCCCC#N Tox21_200860 -NCGC00257792-01 196701552 tox21-ror-cho-viability-p1 set1 4 -0.95879806 0.18029165 1.37037284 6.10767394 2.47503627 4.60067566 2.40829613 2.0247613 4.32388564 -0.55713179 0.18594613 1.96364012 6.16244785 -0.66786854 3.32426135 1.1999999999E-9 2.683E-9 5.999E-9 1.3409999999E-8 2.999E-8 6.707E-8 1.5E-7 3.353E-7 7.498E-7 0.000001677 0.000003749 0.000008383 0.00001875 0.00004192 0.00009373 91-68-9 7062 144207436 A A 3-Diethylaminophenol Oc1cccc(c1)N(CC)CC Tox21_200238 -NCGC00258334-01 196701553 tox21-ror-cho-viability-p1 set1 4 0.0842460216 3.980710244 -0.980710244 3 4.9549173134 0.4097310478 0.2827800991 -0.45960114 0.58955129 -0.70691214 1.37505809 -5.40059187 -1.03690926 4.82148174 1.50239636 0.25752498 3.28738151 1.24446255 3.1702582 8.03277093 1.41902483 0.17313525 1.156E-9 2.585E-9 5.78E-9 1.293E-8 2.8899999999E-8 6.463E-8 1.4449999999E-7 3.231E-7 7.225E-7 0.000001616 0.000003613 0.000008078 0.000018059999999 0.00004039 0.000090319999999 681-84-5 12682 144207978 D Tetramethyl orthosilicate CO[Si](OC)(OC)OC Tox21_200780 -NCGC00258614-01 196701554 tox21-ror-cho-viability-p1 set1 4 3.35247579 1.46690428 2.82480497 -0.42296279 -0.98022087 2.08870579 -0.72032728 1.44047188 4.22740106 4.53909873 0.13210802 0.27160427 5.52870467 1.87150719 0.64040379 1.188E-9 2.656E-9 5.9389999999E-9 1.3279999999E-8 2.9699999999E-8 6.64E-8 1.4849999999E-7 3.32E-7 7.4239999999E-7 0.0000016599999999 0.000003712 0.0000083 0.00001856 0.0000415 0.000092799999999 174899-82-2 11731903 144208259 Fc 1-Ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide C[n+]1ccn(CC)c1.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F Tox21_201061 -NCGC00257978-01 196701955 tox21-ror-cho-viability-p1 set1 -2.4 3.441120471 -24.477158 1.5 -22.977158 0.5 0.7812161413 0.0115189186 -0.13071561 2.20211826 0.64498562 2.84620138 -0.92335932 -8.20547074 3.3231984 -5.91805547 -6.19598965 -12.34606174 -7.31313027 -9.55705363 -18.17624089 -23.730965 -14.55653795 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004127 0.00009229 71-48-7 6277 144207622 Fns Cobalt(II) acetate [Co+2].[O-]C(C)=O.[O-]C(C)=O Tox21_200424 -NCGC00254612-01 196698896 tox21-ror-cho-viability-p1 set1 -2.4 21.6899429044 -27.103132 -0.5 -27.603132 4.9549173134 0.8830165747 0.0006980151 1.4548487 -0.94115635 0.93983368 0.72496062 0.80440812 1.31288131 -1.29822254 2.05225095 -11.7568352 0.20079787 0.70609481 1.91263464 -7.80881029 -29.25261 -25.62392858 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 136-32-3 23662264 144211021 A A 2,4,5-Trichlorophenol sodium salt [Na+].[O-]c1cc(Cl)c(Cl)cc1Cl Tox21_300704 -NCGC00091426-02 196703018 tox21-ror-cho-viability-p1 set1 4 54.4826732819 -21.3038939 0 -21.3038939 3.5722481694 0.9133445202 0.0001577854 0.52198851 -2.52792635 0.07659815 2.80064069 0.83627099 -3.44239121 -0.71692365 0.46971239 1.33570388 -0.64733005 1.17294744 0.68264948 0.39440469 -5.87587684 -18.58657825 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00357183-01 196703036 tox21-ror-cho-viability-p1 set1 4 0.73556287 2.69198305 6.77733855 1.55937184 1.66170899 1.62866119 3.30829355 2.71585567 -1.24131437 0.2631917 4.47661794 -2.33193085 0.15605108 0.1427486 -2.78333127 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76-83-5 6456 251919944 A Trityl chloride ClC(c1ccccc1)(c2ccccc2)c3ccccc3 Tox21_303949 -NCGC00254750-01 196699297 tox21-ror-cho-viability-p1 set1 4 5.13944867 0.69934712 -1.49710653 -3.70699113 0.30891284 0.31924703 -0.37312815 6.27935057 -0.4347266 2.88966296 0.28447957 2.20522158 2.36336647 -0.37763357 0.666787 1.485E-9 3.3199999999E-9 7.423E-9 1.66E-8 3.712E-8 8.3E-8 1.8559999999E-7 4.1499999999E-7 9.2789999999E-7 0.000002075 0.00000464 0.000010369999999 0.000023199999999 0.000051869999999 0.000116 104-54-1 308 144211164 A 3-Phenyl-2-propen-1-ol OCC=Cc1ccccc1 Tox21_300847 -NCGC00254545-01 196698899 tox21-ror-cho-viability-p1 set1 4 68.5896218971 16.742639588 -1.242639588 15.5 4.9549173134 0.8266681467 0.0043840908 -3.53553299 0.37856857 -1.80094043 -1.91897199 0.69478562 0.78682354 -0.92113923 -0.0568113 -3.5156663 1.06174345 -0.70927004 0.35260932 -2.95848888 -1.06315156 12.59624606 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-27-4 7795 144210702 FC Isopentyl butyrate CC(C)CCOC(=O)CCC Tox21_300384 -NCGC00254343-01 196698902 tox21-ror-cho-viability-p1 set1 4 0.64913202 2.76082275 0.39997163 0.78778542 -0.16890128 2.97639767 1.41328838 2.28793795 -0.12946015 0.02785093 -0.13377317 2.55180646 -4.1788252 0.5800312 5.30854542 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-35-1 5426 144210897 A A Thalidomide O=C1NC(=O)CCC1N3C(=O)c2ccccc2C3=O Tox21_300580 -NCGC00254954-01 196699300 tox21-ror-cho-viability-p1 set1 4 2.69021683 2.85728188 3.84228033 0.30491667 1.63561525 3.14223403 3.82852199 7.72930648 1.40614806 2.40298109 3.67701398 1.89335561 -1.37723204 1.31266445 0.14982132 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 74051-80-2 52923 144211369 A D Sethoxydim CCC\C(=N\OCC)C1=C(O)CC(CC(C)SCC)CC1=O Tox21_301052 -NCGC00254532-01 196699314 tox21-ror-cho-viability-p1 set1 4 1.01112184 1.99077391 -5.67901346 1.4652014 0.10676776 -4.50710704 1.06256645 0.9769488 -0.16906548 -5.28544334 -3.47586608 1.89195355 -4.71258652 -3.01976493 -1.225699 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-65-1 7668 144210884 AC Fns Propylbenzene CCCc1ccccc1 Tox21_300567 -NCGC00163843-03 196699714 tox21-ror-cho-viability-p1 set1 4 39.2385527265 -20.755328904 2 -18.755328904 0.3 0.3933368801 0.2955025069 2.19662765 1.6160552 -0.11687674 -0.56027139 0.01417316 0.68880587 -0.67708935 -8.33113544 2.23341102 -8.85808771 -5.98112792 -1.26135228 -0.71491684 -14.79610742 -0.84809023 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00164164-02 196699727 tox21-ror-cho-viability-p1 set1 4 -1.21013593 -0.31532253 -3.8209293 -0.19832232 1.55568558 0.83332208 1.95629642 -3.50105923 0.33999008 -0.32319135 0.84647906 0.45237064 -0.25004134 -1.16601503 4.72441486 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00255295-01 196700128 tox21-ror-cho-viability-p1 set1 4 6.04077944 2.32413862 3.75037444 2.99904548 5.30138486 7.2299099 3.17250798 7.95189206 0.03231916 7.4835327 4.28616464 6.99050821 3.15182501 7.64918503 3.60035904 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 339-43-5 9564 144212134 A A Carbutamide Nc1ccc(cc1)S(=O)(=O)NC(=O)NCCCC Tox21_301817 -NCGC00255995-01 196700142 tox21-ror-cho-viability-p1 set1 4 54.4826732819 -16.504382372 -2 -18.504382372 0.6 0.53344983 0.1505492524 -6.12780677 -3.91627457 -1.47770536 0.76299288 -0.86065031 0.01749817 -7.94354098 -5.46293611 -2.29621344 -5.41133262 -2.61608319 -6.57445761 -6.02237303 -7.24475424 -14.58698531 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1119-94-4 14249 144212401 A A Dodecyltrimethylammonium bromide [Br-].C[N+](C)(C)CCCCCCCCCCCC Tox21_302084 -NCGC00255660-01 196700145 tox21-ror-cho-viability-p1 set1 4 -1.86761486 -0.77544628 -0.64489069 1.07010774 -0.68600989 0.32575984 1.20725745 0.38982714 2.12225225 0.78082082 1.23077225 0.25280896 1.83491252 1.43034223 -0.70111025 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5437-45-6 62576 144212409 F B Benzyl bromoacetate BrCC(=O)OCc1ccccc1 Tox21_302092 -NCGC00024504-09 196725860 tox21-ror-cho-viability-p1 set3 4 3.38040739 5.168612 2.88635762 -1.46170984 3.45833199 -0.5662115 6.71001833 7.08950288 10.96375723 7.53268912 -6.82411801 9.36116366 9.38576672 11.46732717 13.02361832 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 487-79-6 10255 170465818 A Kainic acid CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O Tox21_110905_1 -NCGC00091775-03 196725441 tox21-ror-cho-viability-p1 set3 -1.1 24.3365162115 -70.469465936 1.868534847 -68.600931089 4.0949729863 0.9369696566 0.0000294075 -0.27857082 0.60093433 8.57334122 11.87591563 -5.65418883 -1.65660986 -4.6233787 6.15419655 14.29986427 -1.52179541 -6.32655407 -0.01844092 -14.31567793 -61.2141769 -68.32943879 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00015675-08 196725841 tox21-ror-cho-viability-p1 set3 4 -11.91155908 -3.01350032 -7.58279118 5.94298353 -6.72121088 5.81085274 -6.14120949 -8.73045585 2.63104652 1.51684295 -10.26269278 -11.42176336 2.25911232 -10.75173697 -0.50389573 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00016511-08 196725856 tox21-ror-cho-viability-p1 set3 4 0.53404602 0.67581174 -3.66242717 -4.21545479 -6.60150258 -5.82777091 1.98853109 -1.3506096 -1.60802366 -1.32878777 0.82124935 -4.6201477 -0.82487018 0.9947796 -7.23147273 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 569-57-3 11289 170465394 F Chlorotrianisene COc1ccc(cc1)C(\Cl)=C(/c2ccc(OC)cc2)c3ccc(OC)cc3 Tox21_110466_1 -NCGC00165791-04 196725863 tox21-ror-cho-viability-p1 set3 4 1.93131709 1.77554008 7.01598219 -2.39571627 -0.9835446 14.95004738 -2.62132909 8.91659832 6.48134448 7.57658576 0.90153505 0.7823019 0.05418404 5.3738877 3.41352072 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 108929-04-0 157313 170465284 A Epinastine hydrochloride Cl.NC2=NCC3c4ccccc4Cc1ccccc1N23 Tox21_112263_1 -NCGC00164561-02 196726259 tox21-ror-cho-viability-p1 set3 4 -6.16199136 0 1.33094287 1.25384125 1.59035458 -0.96443965 -0.44233306 -0.40289778 -7.40484308 -6.20565914 -6.60532476 1.80694539 -3.43253029 -0.82869734 0.81160076 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 139110-80-8 60855 170464662 Z Zanamivir O[C@@H]([C@@H]1OC(=C[C@H](NC(=N)N)[C@H]1NC(C)=O)C(=O)O)[C@H](O)CO Tox21_112190_1 -NCGC00094906-06 196726270 tox21-ror-cho-viability-p1 set3 4 0.0007497804 19.811998056 -18.811998056 1 4.9549173134 0.5488501916 0.1368537225 -14.00999838 -0.03577445 -1.17948304 -1.72517453 -1.07816847 -1.69772022 3.21773689 -0.36774532 -0.54384202 -2.81766107 2.08252943 2.79813808 1.33081016 -0.27706775 11.79544358 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23327-57-3 155290 170465579 A Nefopam hydrochloride Cl.CN1Cc3ccccc3C(OCC1)c2ccccc2 Tox21_110606_1 -NCGC00249896-01 196726276 tox21-ror-cho-viability-p1 set3 4 0.0237101377 -10.0152161999 3.5 -6.5152161999 4.9549173134 0.7430030881 0.0217455572 2.81092448 0.21444512 6.47908912 3.95262187 4.41073456 -5.75404198 -2.02544088 -6.04220146 -6.40093449 -8.384098 -7.56385609 0.06850163 -9.17275462 -8.42976588 -9.5960135 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 90-86-8 5370611 170465535 A A Cinnamedrine OC(C(C)N(C)C/C=C/c1ccccc1)c2ccccc2 Tox21_113672 -NCGC00024599-04 196726279 tox21-ror-cho-viability-p1 set3 4 9.04571937 9.85078097 3.11442093 4.59409023 12.04634662 9.59820066 3.95644541 -1.99242689 -5.89531871 -2.23032997 3.6860526 8.3730733 5.0074395 9.52708338 12.50130224 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1166-34-3 5475158 170466481 A Cinanserin CN(C)CCCSc2ccccc2NC(=O)/C=C/c1ccccc1 Tox21_110911_1 -NCGC00256568-01 196726681 tox21-ror-cho-viability-p1 set3 4 0.0017228934 -13.5092349479 13.5 -0.0092349479 4.0949729863 0.6401631676 0.0709645241 10.95539087 2.15294013 0.58986877 3.02694392 1.99103649 0.21571588 -0.38087025 -0.21875971 -2.81753481 2.12279303 0.11875246 -3.45588531 1.73887561 0.0093977 -5.00769579 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-46-9 7142 144213166 A A N,N'-Di-2-naphthyl-p-phenylenediamine c1cc5ccccc5cc1Nc2ccc(cc2)Nc3cc4ccccc4cc3 Tox21_302849 -NCGC00256806-01 196726688 tox21-ror-cho-viability-p1 set3 4 -0.40688001 2.06293964 1.72330834 1.4964182 -2.66125194 1.36431332 2.64007048 1.05922796 0.1349297 -0.73762925 1.49052407 0.43788395 0.87886174 -0.01925368 1.89934842 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55418-52-5 62098 144212975 A A Piperonyl acetone CC(=O)CCc1ccc2OCOc2c1 Tox21_302658 -NCGC00256420-01 196726690 tox21-ror-cho-viability-p1 set3 4 -4.38132197 0.58022869 -1.265594 0.24280652 0.63507445 0.71441036 3.52358915 4.16252181 3.96362291 4.74651742 5.03138016 0.93304498 3.08963686 -0.79610548 3.8516921 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.0000037229999999 0.000008326 0.00001862 0.00004163 0.00009309 110-93-0 9862 144213216 Fc 6-Methyl-5-hepten-2-one C/C(C)=C\CCC(C)=O Tox21_302899 -NCGC00256612-01 196727088 tox21-ror-cho-viability-p1 set3 4 1.20690898 0.30191447 5.88312461 2.19948212 -3.43773808 0.55443803 0.42150807 0.38868504 -1.95860784 -0.07840691 -2.32756338 2.4594886 -2.78147087 5.63272032 -3.06017013 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 118-55-8 8361 144213266 A A Phenyl salicylate Oc2ccccc2C(=O)Oc1ccccc1 Tox21_302949 -NCGC00091483-03 196716863 tox21-ror-cho-viability-p1 set2 -2.2 54.4826732819 -48.1455592901 -4.168683597 -52.3142428871 2.4063783767 0.9583470954 0.0000030766 -5.28913623 -7.27855329 -4.6818445 -3.90092228 -4.2750689 -6.37587385 -1.58428664 -7.6672083 -1.73290744 -5.88587185 -0.88928241 -2.63852155 -5.3844017 -20.46437798 -41.90472946 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00183029-02 196716847 tox21-ror-cho-viability-p1 set2 4 0.026603212 5.1297594399 -4.1297594399 1 4.9549173134 0.5799690248 0.1134316366 -0.31375544 0.099564 -6.8330213 -7.1914662 -6.52763909 0.25548899 1.00264068 0.43481504 0.64709365 3.06044854 1.93881593 0.44921862 0.27680755 0.52285675 1.0862034 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 30751-05-4 5597 170465889 A Troxipide O=C(NC1CCCNC1)c2cc(OC)c(OC)c(OC)c2 Tox21_113383_1 -NCGC00179578-03 196716856 tox21-ror-cho-viability-p1 set2 -2.1 26.6032120037 -69.4991176378 2.244753232 -67.2543644058 3.9899729863 0.9937514344 1E-10 1.2455491 4.58559853 1.61686075 -0.42565501 4.13757565 1.39232551 2.24285587 2.28222276 0.49235956 2.22768262 2.5220496 1.35462976 1.99114422 -15.2225897 -60.51933683 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83919-23-7 441336 170464666 A Mometasone furoate ClCC(=O)[C@@]5(OC(=O)c1ccco1)[C@H](C)C[C@@H]3[C@]5(C)C[C@H](O)[C@]2(Cl)[C@@]4(C)C=CC(=O)C=C4CC[C@H]23 Tox21_110705_1 -NCGC00090721-03 196716860 tox21-ror-cho-viability-p1 set2 1.4 0.0968854161 24.1904490081 -26.983717864 -2.7932688559 0.6 0.8476764519 0.0024180781 -30.40309822 -18.56346252 -25.04727408 -21.1259038 -15.48396165 -16.52578699 -19.73767577 -12.5882469 -1.91105738 -5.71443342 -3.01766367 -6.85279145 -3.87134492 -4.08335449 -4.56041948 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00091400-02 196716867 tox21-ror-cho-viability-p1 set2 4 -1.22138013 -2.7000422 0.01259717 1.23038311 0.12522804 3.55282041 8.98140767 3.13251115 1.99220994 4.42232673 1.84242024 0.22400105 1.9022604 -2.25031945 0.07312468 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 109-57-9 1549517 170465680 A Allylthiourea NC(=S)NCC=C Tox21_111128_1 -NCGC00253753-01 196716870 tox21-ror-cho-viability-p1 set2 4 4.17445848 1.56526466 4.63558448 -1.94976703 0.75691098 -0.77273258 -0.36562044 3.39601842 0.93192475 2.068242 0.25258162 2.00879766 2.67003284 3.92012686 2.48201119 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53786-46-2 104610 170466709 A A Ethyl 4-(5-chloro-2,3-dihydro-2-oxo-1h-benzimidazol-2-yl)piperidine-1-carboxylate Clc2cc3NC(=O)N(C1CCN(CC1)C(=O)OCC)c3cc2 Tox21_113868 -NCGC00249899-01 196717263 tox21-ror-cho-viability-p1 set2 4 5.49000217 3.97056875 -5.59649037 2.03320753 7.27816918 4.28668887 5.91284926 2.58061876 3.17376489 4.07382518 4.37917618 3.41267455 1.61998112 3.64821875 2.50424286 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104-28-9 7696 170465555 Ac A Cinoxate COc1ccc(C=CC(=O)OCCOCC)cc1 Tox21_113675 -NCGC00015060-14 196717277 tox21-ror-cho-viability-p1 set2 4 60.7577547203 19.62957004 0.37042996 20 4.9549173134 0.6539520868 0.0619758389 2.35268261 0.04119514 -0.33571792 1.28042828 0.63953508 4.60501608 4.58624496 2.83454176 2.46562483 -0.14022355 -3.24645718 -5.64834399 -6.7746417 2.71356613 17.80938032 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00178869-03 196713557 tox21-ror-cho-viability-p1 set2 4 -3.37135811 0.5784963 -1.17274296 -3.10707648 0.82728879 -2.10484522 -0.43163936 -0.55639083 -0.93064104 0.33375719 1.95210017 1.15637387 1.09123803 0.02175146 6.22759258 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-61-7 60961 170465447 A Adenosine Nc3ncnc2c3ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Tox21_110891_1 -NCGC00018261-06 196713141 tox21-ror-cho-viability-p1 set2 -3 33.4914596268 -60.1856571761 0.636533751 -59.5491234251 4.9549173134 0.9705888843 4.341E-7 2.26004249 1.77510132 1.70702059 -0.9360878 -2.23355386 0.49150166 6.39858931 -1.38206922 0.27198572 0.65727338 -0.09855921 -2.17034545 0.79253862 -1.57632659 -52.23607318 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6724-53-4 5284439 170466435 A Perhexiline O=C(O)\C=C/C(=O)O.C(C(C1CCCCC1)C2CCCCC2)C3CCCCN3 Tox21_111395_1 -NCGC00022391-05 196713548 tox21-ror-cho-viability-p1 set2 -2.2 11.8832183006 -36.571121796 -3.5 -40.071121796 1.21 0.8930955178 0.0004491211 -6.7531359 -6.44983965 2.36351671 -6.25727193 -4.48620245 1.56525577 0.45742967 -9.77099565 -4.22512326 -8.18122172 -5.00425031 -10.44727651 -19.27077923 -29.61728531 -32.97593483 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2169-64-4 16574 170466075 A 6-Azaribine CC(=O)OC[C@H]2O[C@@H](N1N=CC(=O)NC1=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O Tox21_110878_1 -NCGC00249110-03 196713554 tox21-ror-cho-viability-p1 set2 4 6.00052908 2.39079982 3.84143608 5.20331928 3.42320154 3.39902596 3.57136294 2.69004623 3.39683454 0.98189339 2.71130995 1.17246511 -3.43916014 0.97255892 0.11536464 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56038-13-2 71485 170466823 A A Sucralose O[C@H]1[C@H](O[C@H](CO)[C@H](Cl)[C@@H]1O)O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O Tox21_113658 -NCGC00163815-04 196728224 tox21-ror-cho-viability-p1 set3 -2.1 58.1036241395 -98.5616268426 -0.646217567 -99.2078444096 2.2481167061 0.9784773078 7.25E-8 0.92560217 4.41077839 -2.08815029 -0.8764862 -1.43811105 -1.71788088 0.65371934 -1.67294395 1.43956936 -0.98689909 1.15378534 -8.95756403 -12.03113463 -29.69911898 -77.05139728 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00255226-01 196728211 tox21-ror-cho-viability-p1 set3 4 30.6378586933 -28.19186874 2 -26.19186874 0.6999999999 0.7620744245 0.0161044557 0.08727984 -2.73839123 10.84983606 3.82177524 -1.52949047 -0.24141148 1.47197901 2.8168154 -0.68999354 -3.53391754 0.74108843 -10.2229369 -8.25554322 -11.80402641 -18.49322395 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25311-71-1 32872 144212536 A A Isofenphos S=P(Oc1ccccc1C(=O)OC(C)C)(NC(C)C)OCC Tox21_302219 -NCGC00256107-01 196728213 tox21-ror-cho-viability-p1 set3 4 -0.27664875 -4.40540295 -1.21012811 -4.12054099 -0.22220001 2.81318517 0.05740814 -0.84577068 3.07501083 -3.93786572 -4.55299542 -4.20829476 2.01273403 0.90482922 3.33164262 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4130-08-9 77780 144211600 F Fns Ethenylsilanetriyl triacetate O=C(C)O[Si](OC(C)=O)(OC(=O)C)C=C Tox21_301283 -NCGC00255998-01 196728219 tox21-ror-cho-viability-p1 set3 4 28.2807897757 20.2876343039 -2.2876343039 18 2.09374246 0.5179656516 0.1794020694 3.60852297 -1.15483776 -2.59625272 -6.46109212 3.51078874 -5.76331902 1.8529056 -0.46460592 -8.15636192 -7.79408508 0.28875482 0.32841992 3.50508904 12.19763393 1.51551392 1.2149999999E-9 2.716E-9 6.073E-9 1.358E-8 3.036E-8 6.789E-8 1.518E-7 3.395E-7 7.591E-7 0.000001697 0.0000037949999999 0.000008487 0.00001898 0.00004243 0.000094879999999 1515-72-6 73812 144212278 A A 2-Butyl-1H-isoindole-1,3(2H)-dione O=C2c1ccccc1C(=O)N2CCCC Tox21_301961 -NCGC00255459-01 196728226 tox21-ror-cho-viability-p1 set3 4 4.3277125691 -5.6602309199 1.5 -4.1602309199 4.9549173134 0.3754175355 0.3139891891 -2.98453387 1.03494751 -0.15456548 0.87706133 -2.1528998 -0.7798363 3.19045879 8.15922403 0.59458943 5.36580967 -0.04958641 -5.9668591 -3.8259201 -2.55112232 2.66015221 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5394-36-5 82162 144212304 A A 5-Ethyl-5-methylhydantoin O=C1NC(=O)NC1(C)CC Tox21_301987 -NCGC00256060-01 196728232 tox21-ror-cho-viability-p1 set3 4 -2.65483584 2.53289988 2.1630584 -1.53956875 0.9210814 1.88195938 4.54235795 -0.12847615 3.33525804 -0.26658251 3.25681581 -2.43674768 -3.58600794 0.7999671 -0.32060402 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16669-59-3 27979 144211720 A A N-(Isobutoxymethyl)acrylamide CC(C)COCNC(=O)C=C Tox21_301403 -NCGC00255666-01 196728638 tox21-ror-cho-viability-p1 set3 4 34.3762428541 23.7111301639 -7.7111301639 16 0.9999999999 0.4507276422 0.2233679237 -0.07759781 -5.72111774 -5.77339367 -5.28576568 -14.00486952 1.00542874 -20.59260847 -11.89723575 -9.70617679 -3.7330921 -9.91368287 5.72976443 -3.02540209 3.42467204 10.85670549 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6359-98-4 22842 144212581 Ac C.I. Acid Yellow 17, disodium salt [Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)/N=N/C2C(=O)N(N=C2C)c3cc(Cl)c(cc3Cl)S([O-])(=O)=O Tox21_302264 -NCGC00244580-01 196726633 tox21-ror-cho-viability-p1 set3 4 54.4826732819 -28.404241776 0.5 -27.904241776 1.692447691 0.7882815662 0.0101009195 6.85158061 -0.64724222 -1.52401689 -0.16317722 0.57341014 -1.77802421 0.35178881 6.72829679 0.8033622 1.90635369 -5.5268207 -1.52543567 -1.91816516 -10.88452853 -19.92020148 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00160435-03 196726227 tox21-ror-cho-viability-p1 set3 4 0.0749780386 14.8113662759 -3.8113662759 11 1.0999999999 0.513044563 0.1666171163 -3.01969194 -3.07473489 -4.10998902 0 -4.8558057 -3.67170026 17.10511581 -7.34280523 13.83360017 9.73497186 16.6890407 6.12711556 11.95021706 7.54398066 12.70525036 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71653-63-9 68909 170466262 A Riodipine CC=1NC(C)=C(C(C=1C(=O)OC)c2ccccc2OC(F)F)C(=O)OC Tox21_111809_1 -NCGC00257484-01 196726623 tox21-ror-cho-viability-p1 set3 4 0.0034376243 -12.3582004479 12 -0.3582004479 1.0999999999 0.863831976 0.0014792075 9.76170098 6.79140829 2.64809805 2.30446318 3.44964653 -0.8739794 -1.02423096 -1.96516704 2.01187833 -0.88402286 -0.38412055 -1.13505774 -0.46001036 -0.63387663 -0.37036124 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7681-76-7 5094 144213715 A A Ronidazole Cn1c(cnc1COC(N)=O)[N+]([O-])=O Tox21_303404 -NCGC00257198-01 196726627 tox21-ror-cho-viability-p1 set3 4 7.30449067 7.53781937 4.78721071 2.12527401 0.37230255 0.5293023 3.90588268 2.97224026 -1.96336654 -2.13729985 5.87685515 2.75870038 3.71654407 0.6405912 2.03850207 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 111-40-0 8111 144213431 F Diethylenetriamine NCCNCCN Tox21_303114 -NCGC00256942-01 196726641 tox21-ror-cho-viability-p1 set3 4 -2.05952719 -3.73872033 -3.19166617 1.364289 -1.11577923 -2.02544428 -1.28935431 -0.55029068 -0.45184695 -2.94134144 0.79427061 -1.88722291 -3.72586438 -0.19533228 -2.18495001 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-91-8 8083 144213557 Morpholine C1CNCCO1 Tox21_303240 -NCGC00259976-01 196709189 tox21-ror-cho-viability-p1 set2 -2.4 49.5470150129 -29.341723736 -1 -30.341723736 2.4063783767 0.9281822889 0.0000591594 0.3764801 1.86634174 0.26994754 -0.12859482 -0.28010038 -5.61547852 -0.65775775 0.13189089 -2.79649883 -3.39684243 0.34792618 0.32174871 -3.59949149 -12.49229135 -25.28476978 1.1999999999E-9 2.684E-9 6.001E-9 1.3419999999E-8 3E-8 6.7089999999E-8 1.5E-7 3.355E-7 7.5009999999E-7 0.000001677 0.0000037509999999 0.000008387 0.00001875 0.00004193 0.00009376 91-64-5 323 144209625 A A Coumarin O=C1C=Cc2ccccc2O1 Tox21_202427 -NCGC00259305-01 196709175 tox21-ror-cho-viability-p1 set2 4 2.25008633 0.05235641 1.47536376 0.98091421 2.37730554 -0.20587459 -0.68182374 -0.54375656 0.39351432 4.02026726 1.76508443 2.41289829 3.90738155 2.9584742 2.77951255 1.206E-9 2.697E-9 6.0299999999E-9 1.348E-8 3.0149999999E-8 6.7419999999E-8 1.5079999999E-7 3.371E-7 7.538E-7 0.000001685 0.000003769 0.0000084269999999 0.00001884 0.00004214 0.000094219999999 3689-24-5 19395 144208954 B F Sulfotepp CCOP(=S)(OCC)OP(=S)(OCC)OCC Tox21_201756 -NCGC00258856-01 196709176 tox21-ror-cho-viability-p1 set2 4 -0.52451509 0.85514421 -0.77162901 -13.90189661 -0.25920071 0.21252608 -1.13732605 1.42295614 -0.37350231 -0.90418155 -0.80506584 1.44596329 0.59415324 2.85071043 1.81649351 1.191E-9 2.663E-9 5.954E-9 1.331E-8 2.977E-8 6.657E-8 1.489E-7 3.3279999999E-7 7.4429999999E-7 0.0000016639999999 0.000003721 0.0000083209999999 0.00001861 0.000041609999999 0.00009303 2437-25-4 17092 144208502 A A Dodecanenitrile CCCCCCCCCCCC#N Tox21_201304 -NCGC00259058-01 196709188 tox21-ror-cho-viability-p1 set2 4 3.6065828 5.26936215 6.63937305 6.64727709 2.62877412 1.5461178 6.58394344 5.19373878 5.5800088 7.50380976 3.98208233 6.81967762 -7.43867717 5.04909087 1.96000286 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1156-19-0 5503 144208705 A A Tolazamide Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2 Tox21_201507 -NCGC00258799-01 196709197 tox21-ror-cho-viability-p1 set2 4 -0.77050308 -2.72230256 -0.77705288 -2.02945675 -2.27128054 -2.90908834 1.22125958 -0.26032337 0.41513355 -0.8468793 -0.9737368 -1.02028377 -0.61173775 -1.00337126 0.91354745 1.193E-9 2.6679999999E-9 5.9649999999E-9 1.3339999999E-8 2.982E-8 6.669E-8 1.491E-7 3.335E-7 7.456E-7 0.0000016669999999 0.000003728 0.000008336 0.00001864 0.00004168 0.0000932 111-70-6 8129 144208445 A A 1-Heptanol CCCCCCCO Tox21_201247 -NCGC00259128-01 196709198 tox21-ror-cho-viability-p1 set2 4 -3.12136364 -7.55803557 -10.44366783 -17.35363348 -0.1626838 -4.94652385 -5.11744823 -6.8841228 -4.94774158 -5.74805891 -8.18330879 -5.53279983 -0.70004375 -9.22029226 -22.73288303 1.19E-9 2.66E-9 5.949E-9 1.3299999999E-8 2.975E-8 6.6509999999E-8 1.487E-7 3.326E-7 7.436E-7 0.000001663 0.000003718 0.000008314 0.00001859 0.00004157 0.00009295 92-06-8 7076 144208777 A A 1,1':3',1''-Terphenyl c1cc(ccc1)c2cccc(c2)c3ccccc3 Tox21_201579 -NCGC00259442-01 196709602 tox21-ror-cho-viability-p1 set2 4 -0.09973384 -2.82950864 -2.75661422 1.40860687 -1.34779385 -0.10867401 -2.24016097 -1.66421897 -0.40890798 -1.04015458 -0.3144712 -1.2016387 -2.55804814 1.41530571 1.57667153 1.1469999999E-9 2.564E-9 5.734E-9 1.282E-8 2.867E-8 6.411E-8 1.434E-7 3.206E-7 7.168E-7 0.000001603 0.000003584 0.0000080139999999 0.00001792 0.00004007 0.0000896 584-13-4 11432 144209091 A A 4-Amino-1,2,4-triazole Nn1cnnc1 Tox21_201893 -NCGC00091163-03 196710009 tox21-ror-cho-viability-p1 set2 4 -4.72121185 -3.05963185 -5.88282619 0.72174128 -2.97113952 -3.81862253 -7.50932954 -7.33199152 -2.19422757 -1.2872782 -1.18997392 -2.18974788 1.51254212 -0.6611941 -0.32655221 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00259397-01 196705883 tox21-ror-cho-viability-p1 set1 4 0.1540216223 -4.6878310239 -0.5 -5.1878310239 4.9549173134 0.3509316557 0.3363318575 0.90639212 -0.12730167 -1.7329139 -1.62522426 -0.30282167 1.4296059 -2.70844842 -6.05928827 -15.57319252 -0.26136863 -4.15750708 -4.02736007 -3.36506808 -3.41293431 0.80537141 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 55-98-1 2478 144209046 A F Busulfan O=S(C)(=O)OCCCCOS(C)(=O)=O Tox21_201848 -NCGC00179380-04 196705460 tox21-ror-cho-viability-p1 set1 4 0.02547206 -0.83487457 -4.09094791 -4.59565595 0.40299347 -5.0383167 -6.14120583 -5.07390703 -1.27185528 -3.07032522 -2.41576176 -0.44447237 -5.23324672 -1.09774023 -2.86208077 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7414-83-7 23894 170464730 F Etidronate disodium [Na+].[Na+].CC(O)(P(O)([O-])=O)P([O-])(=O)O Tox21_111596_1 -NCGC00090721-03 196705874 tox21-ror-cho-viability-p1 set1 4 0.60473222 1.48488523 -2.00045252 4.6426418 0.10764315 1.64252158 3.51798451 1.70977992 -12.18467051 3.41802692 -1.82721944 2.00168732 2.33379876 1.7579804 7.08384673 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00259146-01 196705879 tox21-ror-cho-viability-p1 set1 -2.1 27.1949826514 -88.7764792741 -7.167326551 -95.9438058251 1.5094870999 0.9597553198 0.0000025333 -11.89688798 -0.68291203 -11.80057907 -10.50932907 -5.26555364 -1.21434194 -8.62608481 -9.3492002 -1.54618169 -15.83824193 -2.06833557 -24.47680915 -37.33907171 -64.9455667 -84.16123318 1.1759999999E-9 2.63E-9 5.8799999999E-9 1.315E-8 2.94E-8 6.574E-8 1.4699999999E-7 3.2869999999E-7 7.35E-7 0.0000016439999999 0.0000036749999999 0.000008218 0.000018379999999 0.00004109 0.00009188 989-38-8 235227 144208795 A A Rhodamine 6G Cl.O=C(OCC)c4ccccc4C=1c3cc(C)c(cc3OC2=C\C(=N\CC)C(C)=CC=12)NCC Tox21_201597 -NCGC00259587-01 196706291 tox21-ror-cho-viability-p1 set1 4 6.01164718 9.37091675 3.35827401 5.54092025 3.0374792 1.60894599 2.89357229 7.95822518 -1.57554487 11.45408508 2.92834577 0.00957978 -0.69321743 2.14906131 1.21721258 1.27E-9 2.839E-9 6.348E-9 1.42E-8 3.174E-8 7.098E-8 1.587E-7 3.549E-7 7.9349999999E-7 0.0000017739999999 0.000003968 0.0000088719999999 0.00001984 0.000044359999999 0.000099189999999 107-21-1 174 144209236 A Ac Ethylene glycol OCCO Tox21_202038 -NCGC00254097-01 196719720 tox21-ror-cho-viability-p1 set3 4 7.29898185 -1.7181952 11.84558575 7.99479363 5.85649424 2.65009619 11.01341654 4.73089525 2.97554058 0.41433623 -0.79084157 11.66864894 3.85042024 6.94659251 0.45344936 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-27-6 8172 144210626 A Ac Triethylene glycol OCCOCCOCCO Tox21_300306 -NCGC00253983-01 196720124 tox21-ror-cho-viability-p1 set3 -2.4 28.1132827793 -20.923507624 -1.5 -22.423507624 4.9549173134 0.7613063569 0.0162935528 -4.6647476 -10.52860483 2.43010482 -5.85412847 0.72182269 -1.01582314 -5.76925877 2.00712084 1.16736932 2.90484794 -1.16909349 2.92688192 -4.26168787 -20.70105594 -21.60292302 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.00001889 0.00004225 0.00009447 95-65-8 7249 144210505 A A 3,4-Dimethylphenol Cc1cc(O)ccc1C Tox21_300185 -NCGC00254084-01 196720123 tox21-ror-cho-viability-p1 set3 4 7.49857242 -0.90999838 10.06507976 1.11801272 11.81552015 4.49507329 -1.97610056 -1.33544602 1.42455671 1.86201138 5.24743682 1.2053009 -0.26292378 -0.35647554 0.99889773 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 118-52-5 8360 144210504 D Fns 1,3-Dichloro-5,5-dimethylhydantoin O=C1N(Cl)C(=O)N(Cl)C1(C)C Tox21_300184 -NCGC00255036-01 196720127 tox21-ror-cho-viability-p1 set3 4 8.14380694 6.57287898 8.00991069 7.34542545 4.03491155 -1.21587399 7.62764922 -3.02393828 2.54700234 15.38507634 20.49947691 2.38278635 7.50957843 6.72301255 1.36722697 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-54-0 61018 144211455 A 3,5-Dimethyl-1-hexyn-3-ol CC(C)CC(C)(O)C#C Tox21_301138 -NCGC00254207-01 196720128 tox21-ror-cho-viability-p1 set3 4 15.3553036427 19.229129884 0.770870116 20 0.5 0.3256353446 0.3582188072 -4.30295041 0.41221189 5.10248217 8.32488313 -6.44094157 1.00653698 2.54930346 6.75907013 14.27022647 -2.28100606 -1.84556108 13.32816988 14.91046214 11.42929869 6.36526558 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-76-1 5541 144210431 A A Triacetin O=C(C)OC(COC(C)=O)COC(=O)C Tox21_300111 -NCGC00253917-01 196720135 tox21-ror-cho-viability-p1 set3 4 0.0048557734 10.5560574279 -11.5560574279 -1 4.9549173134 0.61914811 0.0841430751 -7.39313498 -15.46338119 -3.17251491 0.76058221 -4.40354443 -3.91658023 -1.81456252 1.30068407 -0.84316331 0.96382391 -0.72070625 -6.00403383 2.53994083 0.17556383 -1.51320467 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 62-23-7 6108 144210451 A A 4-Nitrobenzoic acid O=[N+]([O-])c1ccc(cc1)C(=O)O Tox21_300131 -NCGC00253674-01 196718064 tox21-ror-cho-viability-p1 set2 1.1 0.5308038637 88.2268171866 -3.7275691565 84.4992480301 3.5117481694 0.9790160324 6.26E-8 -5.49940819 -8.0392929 -0.39461015 -8.12407922 1.77405818 -5.94368448 1.09777351 1.88968081 9.59817534 74.04058632 90.80097728 91.44940263 89.11291142 73.5946734 73.92082151 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 86393-33-1 483180 170466716 A A Fluoroquinolonic acid O=C(O)C2=CN(c1cc(Cl)c(F)cc1C2=O)C3CC3 Tox21_113798 -NCGC00163930-04 196717639 tox21-ror-cho-viability-p1 set2 4 -1.36509625 -0.82415299 0.28346074 0.35913483 2.94355614 4.83709852 5.76230955 5.80440597 0.94271425 4.09950146 4.47399819 2.51176888 3.28270227 0.85881719 3.83048325 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00164483-03 196718044 tox21-ror-cho-viability-p1 set2 4 0.46267139 0.63937198 0.66759846 0.73716632 0.47680051 0.57311844 -0.39835512 -1.07018603 -1.36726102 -0.12009146 0.2979996 -2.71061546 -0.43484813 0.3944701 0.91033036 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 31386-24-0 178144 170466488 A Amindocate CN(C)CCOC(=O)c1cc2c(cc1)n(CCN(C)C)c(C)c2C Tox21_112125_1 -NCGC00167569-01 196718056 tox21-ror-cho-viability-p1 set2 4 -2.31979828 -2.86820242 0.47397422 0.54511591 -1.30881958 1.23073759 1.1168516 -2.13132348 -1.50575683 -2.74400997 -2.55263034 1.52240351 -0.63306828 -1.09450451 -2.38175637 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3735-85-1 3045407 144206117 A A Mefeserpine COc1ccc(cc1)OCC(=O)O[C@@H]3C[C@@H]4CN5CCc2c6ccc(OC)cc6nc2[C@H]5C[C@@H]4[C@@H]([C@H]3OC)C(=O)OC Tox21_112564 -NCGC00256950-01 196718470 tox21-ror-cho-viability-p1 set2 4 1.3773142 -1.14457629 -0.94181801 1.424273 0.69426866 -3.86276468 1.35249817 -0.98021356 -1.90698357 -2.01854616 -0.72888398 -1.65550465 2.17465891 -0.34046806 -3.72005744 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-96-8 8777 144213393 F Ac Dodecyl sulfate triethanolamine OCCN(CCO)CCO.OS(=O)(=O)OCCCCCCCCCCCC Tox21_303076 -NCGC00256441-01 196727165 tox21-ror-cho-viability-p1 set3 4 0.0086349218 14.062482884 -12.062482884 2 0.5999999999 0.7460028075 0.0209320576 -10.05206907 -7.95292683 -2.25974108 -5.37789497 -3.75165656 -2.62658349 0.13310116 0.47119026 3.32815845 1.47482821 3.82349713 -1.72940817 -1.13412196 5.15576783 0.28023193 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-66-9 4911 144213245 A A Probenecid O=S(=O)(N(CCC)CCC)c1ccc(cc1)C(=O)O Tox21_302928 -NCGC00256480-01 196726739 tox21-ror-cho-viability-p1 set3 4 0.0013685429 -17.730937848 18 0.269062152 1.0999999999 0.4667280747 0.2095946261 13.28658803 2.74248176 3.38338687 0.48205198 2.49080821 2.45706308 0.27452562 -9.77578154 -0.64710192 0.19251501 0.21729774 4.63793769 1.56836595 0.01158577 2.3854093 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 20265-96-7 5284363 144213232 A A 4-Chloroaniline hydrochloride Cl.Nc1ccc(Cl)cc1 Tox21_302915 -NCGC00091650-03 196726749 tox21-ror-cho-viability-p1 set3 4 0.0153553036 11.5140034719 -11.5140034719 0 4.9549173134 0.3493693977 0.320100224 -1.1440082 -3.48721066 -30.01166956 -7.77555341 0 0 -3.77212452 -4.882975 -0.00018253 0 0 0.39362833 9.20713441 -0.4560177 0.75316415 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00257209-01 196727142 tox21-ror-cho-viability-p1 set3 4 4.8557733675 10.45650174 -4.45650174 6 4.9549173134 0.5021251056 0.17656773 2.11948608 2.14269264 -1.86250653 -8.71375145 -6.73199996 -6.9039742 -7.10923019 -6.70880824 -6.82177055 -1.48125579 -6.89763933 15.34139471 2.20559495 2.32147535 4.7645696 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2044-64-6 16278 144213582 A A N,N-Dimethylacetoacetamide CC(=O)CC(=O)N(C)C Tox21_303265 -NCGC00182988-01 196725156 tox21-ror-cho-viability-p1 set3 4 3.42419003 2.34658724 -1.4794989 -0.74138518 2.07699861 0.49322374 3.91671565 8.25373968 5.77910457 -0.3113563 6.67977556 2.05458607 6.89747354 5.98999413 -1.17324779 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123548-56-1 129991 144206850 A A Acreozast Clc1c(cc(cc1NC(=O)COC(C)=O)C#N)NC(=O)COC(C)=O Tox21_113299 -NCGC00260458-01 196724733 tox21-ror-cho-viability-p1 set3 4 3.76796818 6.87074324 0.16480029 -10.03911147 2.11712745 1.20774908 -2.32359302 0.64524247 -0.13211658 2.92100575 8.74126124 0.78755758 -0.36063685 -1.50894597 0.68224157 1.2009999999E-9 2.6849999999E-9 6.0029999999E-9 1.3419999999E-8 3.0009999999E-8 6.711E-8 1.501E-7 3.356E-7 7.5029999999E-7 0.0000016779999999 0.0000037519999999 0.0000083889999999 0.00001876 0.00004195 0.00009379 321-60-8 67579 144210110 A A 2-Fluorobiphenyl Fc2ccccc2c1ccccc1 Tox21_202912 -NCGC00015772-12 196725140 tox21-ror-cho-viability-p1 set3 1.2 0.7497803863 55.1687436385 -0.2415780929 54.9271655456 1.5094870999 0.980825394 3.72E-8 1.32404839 -0.61097624 0.00822084 -0.04226206 -0.79798335 0.00728948 3.28019794 -0.99835993 19.89185693 25.68762868 41.82636362 53.17976858 59.43710184 54.10881456 49.54980443 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82419-36-1 4583 170465035 A Ofloxacin CN1CCN(CC1)c4c(F)cc2c3N(C=C(C2=O)C(=O)O)C(C)COc34 Tox21_110703_1 -NCGC00179546-05 196725144 tox21-ror-cho-viability-p1 set3 4 0 0 -5.5309905 -1.68183766 -7.29866399 -2.29188698 -0.03561133 -6.37543219 -9.0344677 -8.04811985 -8.30582057 1.52945993 -5.76196159 0.5656336 -1.58496042 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 81732-46-9 54765 170466370 A Bambuterol hydrochloride Cl.O=C(Oc1cc(cc(c1)OC(=O)N(C)C)C(O)CNC(C)(C)C)N(C)C Tox21_110702_1 -NCGC00178575-05 196725158 tox21-ror-cho-viability-p1 set3 4 0.04278308 -6.7731181 -1.65923295 -2.98392479 -0.22607592 0.4442692 -2.98490961 -0.60733058 1.93416682 -2.20278454 0.50887542 0.94271554 0.847564 1.34122423 -0.91852671 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26155-31-7 60196268 170465696 A Morantel tartrate Cc2ccsc2\C=C\C1=NCCCN1C.O=C(O)[C@H](O)[C@H](O)C(=O)O Tox21_110773_1 -NCGC00178404-03 196725160 tox21-ror-cho-viability-p1 set3 4 0.0595571731 -4.649063188 3 -1.649063188 4.9549173134 0.4938474904 0.2035662576 4.71057599 0.54207113 0.43949073 -0.58776905 5.00046076 7.8874007 -1.21962276 -1.5066753 -3.04088599 -1.77943556 -1.06011195 -0.60860144 -0.1419464 -1.6743893 5.11858857 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 124-94-7 31307 170465188 A Triamcinolone OCC(=O)[C@@]3(O)[C@H](O)C[C@H]2[C@@H]4CCC1=CC(=O)C=C[C@]1(C)[C@@]4(F)[C@@H](O)C[C@@]23C Tox21_111332_1 -NCGC00166238-02 196725161 tox21-ror-cho-viability-p1 set3 4 -3.26203576 -5.57522002 -4.47132352 -5.15407278 -2.62127559 1.87840439 -5.71748996 -5.58498362 2.6053701 -0.69045085 -2.90772641 1.78091041 -0.12511773 0.28773887 -2.40129381 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 22994-85-0 31593 170466539 A Benznidazole O=C(Cn1ccnc1[N+]([O-])=O)NCc2ccccc2 Tox21_112364_1 -NCGC00094381-06 196725555 tox21-ror-cho-viability-p1 set3 4 1.23077677 1.01331258 4.38040379 5.14114263 -1.96366645 -2.18051362 6.06621641 0.02310412 1.70653688 1.74082915 1.40100834 -1.92602793 -2.46459061 -3.37902811 -3.09007037 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 204005-46-9 123015 170466396 A Semaxanib Cc3cc(C)nc3C=C1c2ccccc2NC1=O Tox21_111271_1 -NCGC00023212-14 196713704 tox21-ror-cho-viability-p1 set2 4 2.53410311 -1.08053368 0.74403024 -1.04372144 -0.41019902 1.94928215 1.52638447 -0.52462748 0.36468245 2.65422233 2.59951175 0.04689985 -0.28029558 3.67557044 -1.62340903 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3056-17-5 18283 170464820 A Stavudine CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@@H](CO)O2 Tox21_110886_1 -NCGC00018258-10 196713674 tox21-ror-cho-viability-p1 set2 -2.1 29.8492948118 -109.7459244183 -4.4549001789 -114.2008245972 2.2481167061 0.9900617755 8E-10 -0.27574778 -4.5365695 -5.96921045 -6.20035944 -5.05820717 -2.71939372 -4.15351041 -4.6245702 -1.8790508 -5.60714252 -5.45248204 -8.95210745 -14.62637493 -34.8275606 -86.51577621 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 24169-02-6 68589 170465422 A Econazole nitrate [O-][N+](=O)O.Clc3ccc(C(OCc1ccc(Cl)cc1)Cn2ccnc2)c(Cl)c3 Tox21_110852_1 -NCGC00024427-05 196713694 tox21-ror-cho-viability-p1 set2 4 -3.94064187 -3.27406766 -3.85240094 -1.63553137 -3.74381216 -1.21052364 -1.55727563 -0.70472302 0.03993374 -0.13648278 -0.45632666 -0.46527457 2.06987394 1.48043482 3.03700929 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16590-41-3 5360515 170465207 A Naltrexone hydrochloride O=C1CC[C@@]6(O)[C@H]3Cc5ccc(O)c4O[C@@H]1[C@]6(CCN3CC2CC2)c45 Tox21_112007_1 -NCGC00183851-01 196713697 tox21-ror-cho-viability-p1 set2 4 3.28225301 1.29027318 0.52869365 0.2176556 -3.22246608 -5.5022652 -0.01358559 -1.59403205 -4.03548468 -4.808763 2.27895093 1.61374054 0.90637204 1.42771789 -5.88868371 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 3979-76-8 60196350 144206836 Z Fns Mebanazine NNC(C)c1ccccc1.O=S(=O)(O)O Tox21_113285 -NCGC00183837-01 196713302 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -10.492532504 0.5 -9.992532504 4.9549173134 0.5201490852 0.1631757654 1.55164194 -0.22133749 -4.55234953 -1.05005375 1.17489726 4.07609494 1.64290207 0.41681233 1.49361441 2.15182501 -0.67223115 1.09358816 -3.22206901 0.55608911 -8.32711042 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103377-41-9 60810 144206839 A A Monatepil Fc1ccc(cc1)N2CCN(CC2)CCCC(=O)NC3c5ccccc5SCc4ccccc34 Tox21_113288 -NCGC00262943-01 196713305 tox21-ror-cho-viability-p1 set2 4 -0.79756308 -0.10394003 0.14894848 -4.43172976 -3.16578533 0.52623672 -1.12019645 -3.36428473 -0.47139372 -0.48203912 0.36446309 0.75769238 -0.33998617 0.85162242 3.79549404 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5634-42-4 21853 170466061 A I Tocanfil CC1(CCC(C(=O)O)C1(C)C)C(=O)OC(C)c2ccc(C)cc2.OCCNCCO Tox21_113936 -NCGC00159522-05 196713702 tox21-ror-cho-viability-p1 set2 4 -4.96199574 -0.92104797 -0.40267031 -0.05474357 0.89514704 -0.1204594 0.32827043 0.38119761 0.32873368 0.21860188 1.14969474 2.99126295 3.39547224 2.42747075 0.44370047 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15686-71-2 27447 170464982 C Cephalexin CC=3CS[C@H]2N(C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C=3C(=O)O Tox21_111740_1 -NCGC00091253-05 196713708 tox21-ror-cho-viability-p1 set2 4 2.58898611 3.29110888 -0.77883083 -0.45105008 -1.25025984 0.38390679 -0.47251301 -0.77590009 0.23671205 -0.17922781 -1.92960213 3.02967175 3.11279921 -1.25428458 1.36191298 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00249886-01 196713709 tox21-ror-cho-viability-p1 set2 4 -1.40385229 1.27431039 0.99390906 -1.15031601 -2.53064068 0.6776794 -0.95674638 1.68229063 2.05130504 0.32622074 0.62976582 0.30481421 -0.50980922 -2.38548949 7.24878038 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7681-14-3 93055 170465430 A A Prednisolone tebutate CC(C)(C)CC(=O)OCC(=O)[C@@]4(O)CC[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_113662 -NCGC00159455-09 196713717 tox21-ror-cho-viability-p1 set2 -2.4 26.6032120037 -34.4417664079 -0.5 -34.9417664079 1.372261 0.9457117745 0.0000132481 -0.83649273 -1.32076496 -0.23022188 0.15948462 0.36626994 0.50792939 0.0665792 -0.50421107 0.58480085 -0.40176831 -0.92134236 -7.36278399 -6.21865692 -11.59549226 -25.78480534 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 184475-35-2 123631 170464828 A Gefitinib Fc1ccc(cc1Cl)Nc2ncnc3cc(OC)c(cc23)OCCCN4CCOCC4 Tox21_111683_1 -NCGC00253954-01 196714120 tox21-ror-cho-viability-p1 set2 4 -8.92688395 -0.5660973 -4.19924767 -5.8058675 -3.64512631 1.32908734 -1.5803735 -2.3639728 -3.71416812 -3.44658885 -3.49277086 -4.22968803 1.16425784 -2.87665422 3.071209 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-01-1 7362 144210490 AC Ac Furfural O=Cc1ccco1 Tox21_300170 -NCGC00013679-06 196705103 tox21-ror-cho-viability-p1 set1 -2.2 26.6032120037 -45.7074169972 -0.5 -46.2074169972 2.5334283767 0.9891261459 1.4E-9 0.41567192 -1.74996144 0.26848704 0.23854752 0.93451764 -2.0774684 -1.00445807 0.35537285 -0.58227072 -0.78596428 0.6202234 -0.32885161 -5.30301736 -15.26519276 -37.27834621 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97-24-5 7329 170466421 A Fenticlor Oc2ccc(Cl)cc2Sc1cc(Cl)ccc1O Tox21_110031_1 -NCGC00255453-01 196727893 tox21-ror-cho-viability-p1 set3 4 13.6854287769 -10.659046088 2.5 -8.159046088 3.9899729863 0.43758402 0.2535180211 0 7.2435687 0.54103148 7.76829469 -1.18984344 -1.46699468 1.94045446 9.06102787 -0.82173883 -2.39419308 7.58599811 3.62825712 -7.06121214 -7.21587174 2.00658422 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5930-28-9 80037 144211957 A A 4-Amino-2,6-dichlorophenol Clc1cc(N)cc(Cl)c1O Tox21_301640 -NCGC00256003-01 196727894 tox21-ror-cho-viability-p1 set3 -1.1 4.3277125691 -113.2851097134 2.4577809693 -110.8273287441 1.713743691 0.9877304747 2.8E-9 -1.91045396 3.57860211 3.03057139 -1.53436348 2.4222217 -1.44477938 3.64425733 1.09239287 5.98258355 -14.03801121 -51.63539404 -82.42834418 -90.28910161 -116.90646492 -112.48051266 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 731-27-1 12898 144211541 A B Tolylfluanid CN(C)S(=O)(=O)N(SC(Cl)(Cl)F)c1ccc(C)cc1 Tox21_301224 -NCGC00013414-04 196705526 tox21-ror-cho-viability-p1 set1 4 -1.30835981 0.98336216 -0.67452891 -4.05730876 -3.31576236 -2.99992858 -3.58112192 -0.46795563 -8.22125927 1.64225854 -2.67467644 -6.89497424 -2.00708989 1.3936781 0.61855277 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23249-97-0 65708 170466381 A Procodazole O=C(O)CCc1nc2ccccc2n1 Tox21_110025_1 -NCGC00091080-03 196705112 tox21-ror-cho-viability-p1 set1 4 14.4386548602 -16.275132776 0.5 -15.775132776 1.8851180601 0.9626929132 0.0000016781 0.02949383 0.02787341 0.52034412 -0.64294882 1.49747396 2.2232143 0.94931695 0.28939008 1.50056421 -0.66137126 -1.14390856 -1.41182522 -11.12520866 -12.80258232 -15.64594398 1.121E-9 2.506E-9 5.6039999999E-9 1.2529999999E-8 2.802E-8 6.265E-8 1.401E-7 3.133E-7 7.005E-7 0.000001566 0.0000035019999999 0.000007831 0.00001751 0.00003916 0.00008756 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00091088-05 196705113 tox21-ror-cho-viability-p1 set1 4 0.84550437 -1.57658292 1.20737751 -1.42081475 -2.20213592 0.77477652 -3.97469702 -1.29314339 -5.99869117 -1.32470133 -1.70116062 -4.36157544 -1.48383211 0.91230908 -2.31673646 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00163150-07 196705529 tox21-ror-cho-viability-p1 set1 4 2.23006439 3.04421145 1.3704241 4.33712259 2.65455263 6.89208221 4.47588902 8.87066949 3.98315242 7.78936244 6.03343227 6.01411663 0.72881097 4.22459946 5.53726138 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 37148-27-9 2783 170465955 A Clenbuterol Clc1cc(cc(Cl)c1N)C(O)CNC(C)(C)C Tox21_112016_1 -NCGC00259056-01 196705932 tox21-ror-cho-viability-p1 set1 4 -0.73503981 -1.59325027 0.74550259 0.10633612 -0.39573146 0.86891735 -3.70651193 0.87207663 7.06709999 -8.76979581 -4.70927071 1.71464229 5.81831505 1.96512886 1.04389157 1.162E-9 2.598E-9 5.8089999999E-9 1.299E-8 2.9039999999E-8 6.494E-8 1.4519999999E-7 3.247E-7 7.2609999999E-7 0.000001624 0.0000036299999999 0.000008118 0.000018149999999 0.00004059 0.00009076 106-87-6 7833 144208703 A F 4-Vinyl-1-cyclohexene dioxide O1CC1C2CC3OC3CC2 Tox21_201505 -NCGC00259917-01 196705938 tox21-ror-cho-viability-p1 set1 4 5.11909947 -0.52098486 3.12784507 1.90456433 -0.35068175 0.43721748 -2.07474068 3.52339746 -21.0341004 7.68414678 2.78508189 1.13108343 0.40462354 0.98301938 -12.54973935 1.187E-9 2.6549999999E-9 5.936E-9 1.327E-8 2.968E-8 6.6359999999E-8 1.484E-7 3.318E-7 7.42E-7 0.000001659 0.0000037099999999 0.0000082959999999 0.00001855 0.000041479999999 0.000092749999999 39515-51-0 38284 144209566 A A 3-Phenoxybenzaldehyde O=Cc2cc(Oc1ccccc1)ccc2 Tox21_202368 -NCGC00259050-01 196705944 tox21-ror-cho-viability-p1 set1 4 2.03891758 2.82720212 0.61256794 0.26276035 -2.27143667 -5.36244515 0.87651883 -2.63336862 5.20548988 14.97104833 -0.09568282 0.78345268 1.15560255 6.8942737 5.04079272 1.1919999999E-9 2.6649999999E-9 5.959E-9 1.332E-8 2.979E-8 6.662E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.0000016659999999 0.000003724 0.0000083279999999 0.00001862 0.00004164 0.00009311 1122-62-9 14286 144208697 A Ac 2-Acetylpyridine CC(=O)c1ccccn1 Tox21_201499 -NCGC00259740-01 196705946 tox21-ror-cho-viability-p1 set1 4 0.0209640942 15.8880421 -16.3880421 -0.5 0.3 0.3271494112 0.3419675353 -13.65670175 -6.82640666 -12.35588484 -12.55393293 -2.5702288 -6.57442529 -7.95512785 -6.94285388 -3.28943627 -9.27044039 5.18732998 -11.5545929 5.23670338 -6.56908236 0.16360526 1.1469999999E-9 2.564E-9 5.733E-9 1.282E-8 2.867E-8 6.41E-8 1.433E-7 3.205E-7 7.1659999999E-7 0.000001602 0.000003583 0.000008012 0.00001792 0.00004006 0.000089579999999 98-01-1 7362 144209389 AC Ac Furfural O=Cc1ccco1 Tox21_202191 -NCGC00258978-01 196706361 tox21-ror-cho-viability-p1 set1 4 -2.03226366 5.06080788 -1.57372889 2.62227183 1.63624863 -1.74789003 2.84507067 3.42800106 -11.15735983 1.99730682 -0.39090698 2.78583919 2.30831427 0.35548427 -0.18577394 1.154E-9 2.579E-9 5.7679999999E-9 1.29E-8 2.884E-8 6.4479999999E-8 1.4419999999E-7 3.224E-7 7.21E-7 0.000001612 0.000003605 0.000008061 0.00001802 0.0000403 0.00009012 106-93-4 7839 144208625 AC F 1,2-Dibromoethane BrCCBr Tox21_201427 -NCGC00259140-01 196706758 tox21-ror-cho-viability-p1 set1 4 0.0240398311 11.2770904119 -10.7770904119 0.5 0.3 0.3200782934 0.3651777647 -9.81424201 -3.12129891 -6.96370366 -6.42731776 -5.86971777 -1.86112424 -5.23139787 -7.48688762 4.22505589 -7.83916663 3.17569033 -2.41784142 0.16961267 -1.83495422 -2.87706044 1.1679999999E-9 2.6129999999E-9 5.8419999999E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.4599999999E-7 3.2659999999E-7 7.3019999999E-7 0.0000016329999999 0.0000036509999999 0.000008164 0.00001826 0.00004082 0.00009128 99-04-7 7418 144208789 A A 3-Methylbenzoic acid Cc1cccc(c1)C(O)=O Tox21_201591 -NCGC00260253-01 196723731 tox21-ror-cho-viability-p1 set3 4 0.0781342569 -4.7652712559 4 -0.7652712559 4.9549173134 0.312138709 0.3725307085 -2.42870846 4.76886333 2.43416486 6.82139377 8.24940921 2.81168767 -6.47105938 0.98643014 -4.4193361 2.76634578 3.77856913 -0.4452399 -0.5438383 -1.99926473 3.1953541 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.6799999999E-8 1.494E-7 3.34E-7 7.468E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004175 0.000093349999999 69227-51-6 112264 144209903 A A 1-Ethyl-1-methylpyrrolidinium bromide [Br-].C[N+]1(CC)CCCC1 Tox21_202705 -NCGC00260275-01 196723722 tox21-ror-cho-viability-p1 set3 4 -5.08286311 3.41116593 1.37547464 -0.62357759 1.27886046 0.36367425 3.84695026 0.98956956 -2.36006417 0.47367473 -3.3009006 3.04450049 3.09924041 -3.82872174 -5.95550219 1.288E-9 2.879E-9 6.4379999999E-9 1.4399999999E-8 3.219E-8 7.198E-8 1.61E-7 3.599E-7 8.0479999999E-7 0.0000017989999999 0.000004024 0.0000089969999999 0.00002012 0.00004499 0.00010059999999 100-65-2 7518 144209925 F F N-Phenylhydroxylamine ONc1ccccc1 Tox21_202727 -NCGC00357060-01 196723726 tox21-ror-cho-viability-p1 set3 4 0.0007497804 16.3394567719 -15.8394567719 0.5 4.9549173134 0.3311911065 0.3383642948 -11.94954731 0.61281251 5.84930467 -0.72178829 -0.10359732 0.28100728 -6.70744943 -1.95284119 -7.09388702 5.65524954 1.25850482 -6.51810339 6.14442356 5.12806145 1.87448481 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10022-28-3 61431 251919816 F 1,1-Dimethoxyoctane COC(CCCCCCC)OC Tox21_303766 -NCGC00357113-01 196723729 tox21-ror-cho-viability-p1 set3 4 7.6958821542 -9.936338232 10 0.063661768 4.9549173134 0.5084237 0.1711459665 1.44033749 3.10638539 6.30011126 10.93581093 11.73570636 9.69876656 10.31214225 16.23270755 11.1929183 13.62901591 16.40252664 2.95747097 2.03761181 -0.68039726 -0.78028186 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-53-8 7146 251919974 F Hydratropaldehyde CC(C=O)c1ccccc1 Tox21_303843 -NCGC00260447-01 196724124 tox21-ror-cho-viability-p1 set3 -2.2 48.607118608 -61.2498633337 0.4577133369 -60.7921499968 2.1876167061 0.9384582516 0.0000259097 -3.44709788 2.40973327 4.04412068 1.06920199 -5.73540636 1.9552183 3.31711304 -3.87610891 -2.19914417 6.71669239 -2.91769478 3.12236541 -6.82349594 -24.3792573 -48.70617424 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.00000369 0.000008252 0.000018449999999 0.000041259999999 0.00009226 605-32-3 11796 144210099 A A 2-Hydroxyanthraquinone Oc2ccc3C(=O)c1ccccc1C(=O)c3c2 Tox21_202901 -NCGC00357106-01 196724129 tox21-ror-cho-viability-p1 set3 4 -10.63384912 1.58269014 -2.12254434 2.29837682 -3.08764366 -2.02862824 -8.22504253 -4.29759918 -0.97434138 -20.20760059 0.76556294 7.28320197 1.8973218 2.08752536 0.34843154 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3277-26-7 6327482 251919896 Fns 1,1,3,3-Tetramethyldisiloxane C[SiH](C)O[SiH](C)C Tox21_303833 -NCGC00357074-01 196724132 tox21-ror-cho-viability-p1 set3 4 -8.38852851 1.66022706 2.80690293 -1.76145564 -9.99724749 4.59494424 -1.12704619 -3.13288386 -1.53148522 -3.16886867 2.74851817 -5.47835527 -6.47568857 3.61808203 0.36604543 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4385-05-1 78091 251919806 Ac N,N-Dimethyl-2-(morpholin-4-yl)ethanamine CN(C)CCN1CCOCC1 Tox21_303783 -NCGC00259885-01 196722096 tox21-ror-cho-viability-p1 set3 -3 69.7071642489 -77.3941155707 -2.0067551019 -79.4008706726 4.9549173134 0.9916600215 3E-10 -2.91371515 -3.62851451 -2.386156 -0.46055947 -2.10875447 -4.5947661 -4.52093862 -0.75967089 -1.4444267 0.06686001 -2.54759374 -1.56014575 -2.52227993 -5.49725005 -65.00069101 1.196E-9 2.674E-9 5.9789999999E-9 1.337E-8 2.989E-8 6.684E-8 1.4949999999E-7 3.3419999999E-7 7.4729999999E-7 0.000001671 0.000003737 0.000008355 0.000018679999999 0.000041779999999 0.000093409999999 55285-14-8 41384 144209534 A D Carbosulfan CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12 Tox21_202336 -NCGC00259753-01 196722091 tox21-ror-cho-viability-p1 set3 4 21.7120023439 12.7838023039 -11.2838023039 1.5 4.9549173134 0.5955595623 0.1003890039 -11.7561387 -15.23650192 -9.94077885 -2.25953484 -11.78745188 -14.19754168 -14.88821248 -7.5362207 -14.45663428 -7.19301013 -9.28214681 -14.35540495 -6.70218914 1.17379237 1.0276166 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3839999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004128 0.00009229 30560-19-1 1982 144209402 A A Acephate O=C(C)NP(=O)(OC)SC Tox21_202204 -NCGC00259082-01 196722093 tox21-ror-cho-viability-p1 set3 4 26.3646215228 8.571719324 -9.071719324 -0.5 4.9549173134 0.470970803 0.2062379332 -9.89226456 -11.78603586 -3.03696417 -9.08576496 -10.81155199 -12.97643277 -6.15729601 -6.2111156 -11.56122596 -9.34285675 -6.75987433 -7.77002105 -10.50615885 1.64761444 -3.34899787 1.146E-9 2.563E-9 5.73E-9 1.281E-8 2.865E-8 6.407E-8 1.433E-7 3.203E-7 7.163E-7 0.000001602 0.0000035809999999 0.0000080079999999 0.00001791 0.000040039999999 0.000089529999999 77-79-2 6498 144208730 A A 3-Sulfolene O=S1(=O)CC=CC1 Tox21_201532 -NCGC00258863-01 196722095 tox21-ror-cho-viability-p1 set3 4 -10.47053112 3.42947701 -3.10153881 4.53789786 -0.89176471 -8.91990696 -5.31968617 -7.6109556 -9.71207361 1.36245714 -4.27299614 -4.25382563 -2.21267954 1.57839132 5.45963162 1.154E-9 2.5799999999E-9 5.7689999999E-9 1.29E-8 2.885E-8 6.45E-8 1.4419999999E-7 3.225E-7 7.211E-7 0.0000016129999999 0.000003606 0.000008063 0.00001803 0.00004031 0.00009014 120-82-1 13 144208509 A Ac 1,2,4-Trichlorobenzene Clc1cc(Cl)c(Cl)cc1 Tox21_201311 -NCGC00259676-01 196722097 tox21-ror-cho-viability-p1 set3 4 -3.09329535 9.67717214 10.06418041 5.66242868 7.11856198 0.87182295 7.07073934 6.48373098 -7.85863542 8.67897373 4.77386976 -1.33942585 -0.50715153 8.33847228 1.8807716 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009203 50-81-7 54670067 144209325 A A L-Ascorbic acid OC=1C(=O)O[C@H]([C@@H](O)CO)C=1O Tox21_202127 -NCGC00163903-03 196722495 tox21-ror-cho-viability-p1 set3 4 6.10240657 8.97181428 4.17795712 8.03273763 0.88828185 3.410378 -1.66787731 2.3369112 -3.30638691 4.1699834 11.6270497 7.03310942 5.34709894 9.54345686 15.5936918 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00091088-05 196719884 tox21-ror-cho-viability-p1 set3 4 -4.45688759 -5.6549724 0.67438505 1.50930479 -1.58902847 -1.20774032 -4.77809473 2.39498055 -1.0438444 -2.51159115 -4.16423741 -2.1810209 -4.40497302 -0.37504398 -1.05526506 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00254506-01 196720288 tox21-ror-cho-viability-p1 set3 4 6.1130564862 11.3783798521 1.6216201479 13 4.9549173134 0.443432589 0.2474221867 5.58825687 7.86165507 -6.55201561 3.38463802 -0.66396825 -6.98198321 1.30004718 6.63638142 9.94139474 -3.43146521 0.89228051 12.57991933 14.2052669 10.45145033 4.12467325 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-27-2 7603 144210831 A A N-Ethyl-3-methylaniline CCNc1cc(C)ccc1 Tox21_300513 -NCGC00254715-01 196720296 tox21-ror-cho-viability-p1 set3 4 61.130564862 -29.729982272 2.5 -27.229982272 2.09374246 0.8950862933 0.0004119078 4.82163511 1.90935553 -1.10244241 1.63298325 3.74835244 2.36232087 4.17265322 2.57245276 1.44920079 2.42978114 0.50631151 4.19070047 -3.65536834 -4.54940039 -19.35831856 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2310-17-0 4793 144211128 A A Phosalone CCOP(=S)(OCC)SCN1c2ccc(Cl)cc2OC1=O Tox21_300811 -NCGC00090858-02 196716974 tox21-ror-cho-viability-p1 set2 4 -0.09766858 2.89958187 1.06115097 2.55787864 2.52102105 -1.02789996 1.45143841 0.12588217 2.30815694 0.85169544 0.91259153 2.83702426 2.000712 0.35864389 -1.54891074 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00090874-04 196716536 tox21-ror-cho-viability-p1 set2 4 69.4274967035 -19.4961987399 0.5 -18.9961987399 4.9549173134 0.8826406861 0.0007196481 2.92780583 -0.31982481 -1.52565671 0.36040926 -1.11350406 -0.02361783 1.51107096 1.66868825 -1.46168808 -0.3702153 2.69316313 1.38985261 0.07370488 1.23224794 -15.41349895 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00257602-01 196716541 tox21-ror-cho-viability-p1 set2 4 1.54593248 1.431762 -3.0688257 0.87245174 1.35175939 -0.58735759 1.8750862 1.97505519 -3.93799276 -3.51595868 -3.6354496 0.26045148 1.6157338 -3.54461556 1.68476356 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.9409999999E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.0000411 0.00009189 103-03-7 61002 144207246 A A Phenicarbazide NC(=O)NNc1ccccc1 Tox21_200048 -NCGC00015703-06 196716952 tox21-ror-cho-viability-p1 set2 4 13.3331902297 18.345889668 -9.345889668 9 0.4 0.5596341296 0.1281212627 -10.07323284 -10.28824139 -8.57606344 -9.64600909 -5.39047561 -8.05568051 -5.34966627 -8.66458589 -0.65756515 -9.81135049 1.7096238 -5.11056904 -6.37536377 0.31863155 6.56568753 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60-40-2 4032 170465225 A Mecamylamine CNC2(C)C1CCC(C1)C2(C)C Tox21_110198_1 -NCGC00015686-11 196717367 tox21-ror-cho-viability-p1 set2 4 1.1883218301 6.863164864 -6.863164864 0 4.9549173134 0.646824452 0.0666922592 -2.84016099 -8.51957287 -7.26113378 -9.88597072 -7.53300121 -8.05130297 -0.57859699 -8.31237168 -7.58634607 -6.88890715 0.15055931 -1.5351004 0.10617057 -0.25473942 0.33359676 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16662-46-7 119442 170465991 A Gallopamil hydrochloride Cl.COc1c(cc(cc1OC)C(C#N)(CCCN(C)CCc2ccc(OC)c(OC)c2)C(C)C)OC Tox21_110196_1 -NCGC00095239-05 196717368 tox21-ror-cho-viability-p1 set2 4 1.18580336 1.45942645 0.55094367 3.86495976 4.82689777 4.88259038 5.04310498 3.43345554 4.19775903 6.25416033 3.5782299 1.91222152 1.47022403 -3.3436998 2.77494857 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 621-23-8 69301 170465963 Ac 1,3,5-Trimethoxybenzene COc1cc(cc(OC)c1)OC Tox21_111489_1 -NCGC00253715-01 196717376 tox21-ror-cho-viability-p1 set2 4 0.0029849295 12.457107328 -8.957107328 3.5 0.3 0.5411182112 0.1448411893 -5.16535343 -0.15751328 -7.04758944 -0.13083792 0.7176486 -4.09894521 2.15096419 -0.23795695 1.85583466 1.24060504 3.90323027 0.31745961 1.64197722 2.06574844 4.73782262 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67914-60-7 712441 170466664 A A 4-(4-Acetylpiperazin-4-yl)phenol O=C(C)N1CCN(CC1)c2ccc(O)cc2 Tox21_113834 -NCGC00161419-05 196717384 tox21-ror-cho-viability-p1 set2 -2.4 11.8832183006 -33.199139812 -3 -36.199139812 1.4641 0.7829869972 0.0151321013 -1.007344 -3.28509908 1.57968929 -7.28714302 -0.17597136 -5.02847803 -0.07716823 -0.18437431 -11.99915849 -3.11130254 -1.48018154 -11.01103462 -14.57462331 -26.83261651 -16.81100905 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_47817 45006154 170465176 C Trimetrexate Cl.Cl.Cl.COc1cc(cc(OC)c1OC)NCc2ccc3nc(N)nc(N)c3c2C Tox21_111995_1 -NCGC00015704-09 196717787 tox21-ror-cho-viability-p1 set2 4 33.4914596268 16.069905688 0.930094312 17 4.9549173134 0.8385207334 0.0032050153 0.81777486 0.13714301 0.36635984 1.83983968 2.75667813 0.5601865 1.11661093 2.68373524 -2.55825474 3.41131338 0.11699968 0.91385004 0.09297721 0.11493765 14.506591 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 135-23-9 8667 170465531 A Methapyrilene hydrochloride Cl.CN(C)CCN(Cc1cccs1)c2ccccn2 Tox21_111256_1 -NCGC00065934-05 196725648 tox21-ror-cho-viability-p1 set3 4 -1.74814891 2.88098352 5.05236238 14.70750077 0 11.7736428 21.11114483 0 23.10536329 14.05187774 9.15751956 28.79204951 8.42108612 10.22318549 2.32207148 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 28721-07-5 34312 170464811 A Oxcarbazepine NC(=O)N3c1ccccc1C(=O)Cc2ccccc23 Tox21_110983_1 -NCGC00257860-01 196730141 tox21-ror-cho-viability-p1 set3 4 -0.4733521 0.08108799 -0.88295102 0.90213987 0.02089173 -1.74139277 -1.2637244 -3.61405643 -3.1206508 0 -27.43628556 -2.62123466 -2.66136877 -1.67416856 0.25068214 1.202E-9 2.688E-9 6.01E-9 1.344E-8 3.005E-8 6.719E-8 1.503E-7 3.36E-7 7.5129999999E-7 0.0000016799999999 0.0000037559999999 0.0000083989999999 0.00001878 0.000042 0.000093909999999 2404-44-6 16993 144207504 AC C 1,2-Epoxydecane CCCCCCCCC1CO1 Tox21_200306 -NCGC00179511-03 196726049 tox21-ror-cho-viability-p1 set3 4 5.59295837 1.87502691 -1.47537118 0.86979543 -0.14900796 2.64952278 6.65447588 10.05640934 13.78993508 11.10212789 -2.94159296 4.3074651 6.01712932 8.95323724 1.27539519 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 81110-73-8 60561 170466653 A Racecadotril CC(=O)SC[C@@H](Cc1ccccc1)C(=O)NCC(=O)OCc2ccccc2 Tox21_110700_1 -NCGC00016627-04 196725635 tox21-ror-cho-viability-p1 set3 -2.4 33.4914596268 -34.282505508 0.5 -33.782505508 4.9549173134 0.95124698 0.0000073563 4.91622873 0.78064644 -1.57765361 -0.29775078 -0.60439941 -0.66359051 1.41491304 -0.04788784 -0.22531205 -0.08027924 -1.28184378 -0.28917097 -0.04157023 0.06231342 -29.81875459 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3416-26-0 3926 170466621 A Lidoflazine Cc4cccc(C)c4NC(=O)CN3CCN(CCCC(c1ccc(F)cc1)c2ccc(F)cc2)CC3 Tox21_110533_1 -NCGC00262958-01 196725653 tox21-ror-cho-viability-p1 set3 4 0.47424348 -4.20183784 2.05698734 -1.81619623 2.38540144 -2.81616243 -5.09288541 -1.37713528 -5.18359889 0.6088373 0.96087761 -5.13678838 -0.11548663 -2.00158656 -5.1493571 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77181-69-2 72187526 170466041 A A Bravavir Br\C=C/C1=CN(C(=O)NC1=O)[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O Tox21_113949 -NCGC00261979-01 196726056 tox21-ror-cho-viability-p1 set3 4 0.2113168243 11.5 1 12.5 4.9549173134 0.6824955321 0.0562416212 0.94145743 0.22928633 0 0 0 2.3232654 3.65957883 2.22300458 14.4992932 15.01903918 14.24148828 20.61093151 8.90884468 2.54621904 -14.27251997 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1222-57-7 14652 170466528 A A Zolimidine CS(=O)(=O)c1ccc(cc1)c2cn3ccccc3n2 Tox21_113899 -NCGC00016327-11 196726065 tox21-ror-cho-viability-p1 set3 4 3.05622506 3.39821699 1.03198865 8.00118805 2.89673725 1.35879222 7.03692911 1.57384849 -0.00324034 2.89563447 4.14364691 10.82665764 2.3403679 0.58985574 0.75558431 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82-02-0 3828 170466493 A Khellin COc3c1c(OC(C)=CC1=O)c(OC)c2occc23 Tox21_110374_1 -NCGC00182081-04 196726066 tox21-ror-cho-viability-p1 set3 4 -8.64381635 -1.77982741 8.23274816 -1.799603 -2.14004778 -1.28674796 -4.59121629 -1.61137522 -7.30872203 -12.39954218 -2.49680846 -1.23461532 -5.53657806 -4.70599013 -11.74026957 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26615-21-4 5736 170465934 A Zotepine CN(C)CCOC1=Cc3ccccc3Sc2ccc(Cl)cc12 Tox21_113135_1 -NCGC00256848-01 196726467 tox21-ror-cho-viability-p1 set3 4 -4.01323678 -1.83303075 -2.78462826 -0.46871366 -5.09678051 -0.50142982 -2.75001684 -5.58405206 -3.21876394 -1.47944485 -0.7967971 -5.2606543 -2.14645384 -0.02896145 -7.79280597 1.172E-9 2.6199999999E-9 5.858E-9 1.31E-8 2.929E-8 6.55E-8 1.465E-7 3.275E-7 7.323E-7 0.000001637 0.0000036609999999 0.000008187 0.00001831 0.000040929999999 0.00009153 6149-03-7 23670838 144213933 A Sodium 4-octylbenzenesulfonate [Na+].O=S([O-])(=O)c1ccc(CCCCCCCC)cc1 Tox21_303628 -NCGC00090986-03 196726471 tox21-ror-cho-viability-p1 set3 4 69.008347349 -13.204693456 -1 -14.204693456 0.8999999999 0.5882947227 0.1073489867 -1.34850457 1.39054715 -0.55310884 0 -2.87600976 -4.19105705 0 0 -2.71204917 0 -5.82826004 -2.99514276 -1.02614412 -6.02066058 -10.17057788 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.000041429999999 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00256952-01 196726473 tox21-ror-cho-viability-p1 set3 4 -3.76330095 0.26711689 1.47590684 -26.85855397 -3.30436739 -1.01039782 -21.80722372 -17.2509957 0 0 0 -5.02544696 -1.98588779 2.55246619 0 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1122-62-9 14286 144213421 A F 2-Acetylpyridine CC(=O)c1ccccn1 Tox21_303104 -NCGC00257079-01 196726884 tox21-ror-cho-viability-p1 set3 4 0.50922935 -1.06776774 -0.3348993 -0.78487649 -0.53012428 2.11566853 0.64374425 0.86373296 2.10598812 1.40672276 1.21373733 1.65562472 -1.06265117 -0.43576803 0.38739741 1.106E-9 2.4729999999E-9 5.53E-9 1.236E-8 2.765E-8 6.182E-8 1.3819999999E-7 3.091E-7 6.912E-7 0.0000015459999999 0.0000034559999999 0.000007728 0.00001728 0.000038639999999 0.0000864 2016-88-8 16230 144213385 A A Amiloride hydrochloride Cl.Clc1nc(C(=O)NC(=N)N)c(N)nc1N Tox21_303068 -NCGC00256637-01 196726902 tox21-ror-cho-viability-p1 set3 -3 62.2235341678 -53.4462311 -1.316632724 -54.762863824 4.9549173134 0.9149538521 0.179648101 -1.25734569 -4.12346006 -4.04246958 1.08427235 0.75144852 -1.73713308 0.20347319 -4.10222518 -0.50450382 -9.37345276 0 0.56747892 40.95559056 2.11394072 -46.05238652 1.088E-9 2.4329999999E-9 5.44E-9 1.216E-8 2.72E-8 6.082E-8 1.36E-7 3.041E-7 6.8E-7 0.000001521 0.0000033999999999 0.0000076029999999 0.000017 0.00003801 0.000084999999999 3697-42-5 9571016 144213006 Z A Chlorhexidine dihydrochloride Cl.Cl.Clc2ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)cc2 Tox21_302689 -NCGC00015466-11 196698339 tox21-ror-cho-viability-p1 set1 4 2.11012284 2.77217039 2.15563044 1.39999881 0.00377449 2.53244891 2.06639932 4.71162199 0.83637776 2.05373751 3.22831357 5.59925178 2.04074699 1.94359787 6.23403059 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60142-96-3 3446 170464715 A Gabapentin NCC1(CC(=O)O)CCCCC1 Tox21_110157_1 -NCGC00183854-01 196698340 tox21-ror-cho-viability-p1 set1 4 1.11970117 -2.00280532 -1.16594801 -0.25369405 -2.50940006 -0.24448939 -0.46292354 -4.79782818 -2.77910428 0.57028701 -1.7199755 -2.08321964 0.36555092 -0.06432814 -5.25632024 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33765-68-3 443947 144206842 A A Oxendolone CC[C@H]2C[C@H]3[C@@H]4CCC1=CC(=O)CC[C@@H]1[C@H]4CC[C@]3(C)[C@H]2O Tox21_113291 -NCGC00181774-02 196697941 tox21-ror-cho-viability-p1 set1 4 16.7854920005 -13.68926944 2.5 -11.18926944 2.2526478767 0.6804385607 0.0477977879 -1.7192103 8.25890803 5.88458431 1.30124329 2.68586511 -0.05951336 3.37376681 -0.09193713 3.38945973 -0.05041437 1.89454224 2.50416592 0.51075829 -6.94546875 -9.3243912 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 491-59-8 10288 170465659 F Chrysarobin Oc2c3c(cc1cccc(O)c12)cc(C)cc3O Tox21_113041_1 -NCGC00090708-05 196698332 tox21-ror-cho-viability-p1 set1 -2.1 30.6378586933 -88.8423168465 1.7869449069 -87.0553719396 1.0999999999 0.9229080965 0.0000851378 1.37485662 2.88923212 0.30643203 0.14997631 3.65427599 1.11649071 0.94364708 2.40315075 1.81002336 1.11053275 -6.39245318 -18.83464816 -34.77338002 -31.6169973 -80.60682587 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00094381-06 196698349 tox21-ror-cho-viability-p1 set1 4 -0.02407256 -1.15928679 0.20819244 1.83465355 -1.32111116 -0.96612016 -0.39553741 2.80141945 2.3639527 2.15643662 -0.87094372 0.26182996 0.12045425 0.3840454 -2.45125653 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 204005-46-9 123015 170466396 A Semaxanib Cc3cc(C)nc3C=C1c2ccccc2NC1=O Tox21_111271_1 -NCGC00253680-01 196698351 tox21-ror-cho-viability-p1 set1 4 0.07450665 9.9333484 2.58620733 2.17116558 1.00950163 4.3636404 5.27606903 6.14471272 1.946907 1.8300356 1.21205366 3.26110983 0.161844 0.57507186 0.10208825 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 22252-43-3 33498 170466755 Z F 7-Aminodeacetoxycephalosporanic acid CC=1CS[C@@H]2[C@H](N)C(=O)N2C=1C(=O)O Tox21_113804 -NCGC00254003-01 196698761 tox21-ror-cho-viability-p1 set1 4 -1.25893837 -0.19085196 0.18891861 -1.59972612 0.18063008 1.70684941 3.96580826 -1.37130147 4.98114066 -2.07837638 3.06596014 3.6512342 -14.90755233 0.33852337 3.23077549 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-90-0 8146 144210400 A A 2-(2-Ethoxyethoxy)ethanol OCCOCCOCC Tox21_300080 -NCGC00254422-01 196699166 tox21-ror-cho-viability-p1 set1 4 2.43385159 0.68420182 2.29183728 2.07286392 1.41169768 0.82498553 -1.0781993 0.77828527 1.91547666 0.58155517 0.70265764 0.01865259 1.23302591 0.53700227 4.28919366 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-57-8 7245 144210658 AC Ac 2-Chlorophenol Oc1ccccc1Cl Tox21_300340 -NCGC00254774-01 196699167 tox21-ror-cho-viability-p1 set1 4 -4.46695013 -0.45486767 -0.48893925 -1.2762823 -0.39413126 -1.84743974 -2.2367764 -5.49598342 0.95153259 -3.21120968 -1.45962092 0.53282543 -0.5954302 1.50970976 -6.36287232 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18480-53-0 49837 144211187 Ac 3,4-Dichloro-5-isothiazolecarboxylic acid OC(=O)c1snc(Cl)c1Cl Tox21_300870 -NCGC00254141-01 196699171 tox21-ror-cho-viability-p1 set1 4 2.23474882 0.18505176 -1.05455768 2.18855068 -0.84428205 2.76650647 1.9418861 -1.1632745 -0.72286628 3.35215661 0.1287677 0.75833145 -1.58643397 -0.99001108 -0.19780037 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-30-1 8174 144210398 A A 1-Decanol CCCCCCCCCCO Tox21_300078 -NCGC00254998-01 196699183 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -13.393276288 -1 -14.393276288 4.4494702849 0.5074188848 0.1738931966 -2.72758815 -1.44662068 0.98350004 -3.4313397 1.97354187 -1.23433468 3.01203058 0.0222231 -2.25177738 0.53762435 -6.63779969 -2.53261103 0.20409414 -1.78110459 -10.32773024 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-22-0 643684 144211415 A A (9Z,12R)-12-Hydroxyoctadec-9-enoic acid CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)O Tox21_301098 -NCGC00254288-01 196699584 tox21-ror-cho-viability-p1 set1 -3 61.130564862 -39.145298004 -1 -40.145298004 2.0478617061 0.8835463894 0.0006841673 -3.58329349 -0.75889723 1.1070946 -0.08047972 1.03949041 0.28239942 0.05956052 0.30506939 -0.42368922 -5.21840712 -4.72675014 -0.20445515 -9.91778231 -9.23041159 -30.12108167 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-60-8 6937 144210804 A A 2-tert-Butyl-5-methylphenol CC(C)(C)c1ccc(C)cc1O Tox21_300486 -NCGC00255089-01 196699591 tox21-ror-cho-viability-p1 set1 4 1.99479111 -6.08593613 3.12285446 -4.68073821 1.80522528 -3.21433969 2.77353093 1.25545379 0.04619792 0.38630836 -6.94661882 1.76268503 3.27121556 -1.50808024 -3.23926665 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 210880-92-5 213027 144211508 A A Clothianidin Clc1ncc(CN/C(=N/[N+]([O-])=O)NC)s1 Tox21_301191 -NCGC00254757-01 196720644 tox21-ror-cho-viability-p1 set3 -2.4 10.8707224818 -23.0116343 1.5 -21.5116343 2.7202212143 0.8810958569 0.001277642 3.25397218 0.54583534 5.55962249 -0.86987835 -0.47803525 -1.13044136 3.24079062 7.86245469 -0.66333959 -0.7949372 1.15771961 -4.91688057 -20.00969525 -19.21890168 2.77786168 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63-25-2 6129 144211171 A A Carbaryl CNC(=O)Oc2cccc1ccccc12 Tox21_300854 -NCGC00254575-01 196720231 tox21-ror-cho-viability-p1 set3 4 0.0129808555 19.7759239199 -18.7759239199 1 0.4 0.8050669825 0.0071995945 -11.23383111 -16.4799366 -9.1170138 -4.82936312 -6.09859367 -5.8653751 -7.92030194 -1.13184804 -3.33707337 0.35003164 -1.99857776 -1.99202632 0.31965783 1.08721046 0.57102069 1.368E-9 3.059E-9 6.8389999999E-9 1.529E-8 3.42E-8 7.647E-8 1.71E-7 3.823E-7 8.549E-7 0.0000019119999999 0.000004275 0.0000095579999999 0.00002137 0.000047789999999 0.0001069 1824-81-3 15765 144210984 A Ac 6-Methylpyridin-2-amine Cc1cccc(N)n1 Tox21_300667 -NCGC00254346-01 196720233 tox21-ror-cho-viability-p1 set3 4 1.3685428777 10.91791152 -8.91791152 2 0.4999999999 0.5990487313 0.1126585349 -9.86568632 -10.3482596 -8.59434672 -0.71983923 -7.73486226 -8.99400911 -6.49382702 -7.40128892 -3.06802117 -0.64636291 -5.42395326 -1.16063111 0.17175069 0.7042786 -3.4460302 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-25-2 643820 144210860 D (2Z)-3,7-Dimethylocta-2,6-dien-1-ol C\C(C)=C\CCC(/C)=C\CO Tox21_300542 -NCGC00254337-01 196720652 tox21-ror-cho-viability-p1 set3 -2.2 61.130564862 -65.6140662952 -4.852552556 -70.4666188512 2.3331733767 0.9317947241 0.000044807 -0.3364541 -5.46699706 -11.90727631 -9.82657852 -4.23705688 -4.60616065 -8.8968095 -4.11257204 -3.48190063 -3.70034055 -0.50459113 0.1417234 -11.25536957 -24.01159381 -53.38380216 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-97-6 6001 144210818 A A 7,12-Dimethylbenz(a)anthracene Cc2c1c4ccccc4ccc1c(C)c3ccccc23 Tox21_300500 -NCGC00258966-01 196721051 tox21-ror-cho-viability-p1 set3 4 30.3887708356 9.41297102 -3.91297102 5.5 4.9549173134 0.618328992 0.085186504 -6.19675847 -2.18400663 -0.32064116 -2.91408843 -4.05333153 -2.73220296 -6.0161766 -7.42747585 -5.33879404 1.09237057 -4.71133942 -2.55760593 -3.98348393 4.37089356 4.76383327 1.172E-9 2.621E-9 5.8609999999E-9 1.311E-8 2.931E-8 6.553E-8 1.465E-7 3.276E-7 7.326E-7 0.0000016379999999 0.0000036629999999 0.000008191 0.00001832 0.00004096 0.00009158 124-13-0 454 144208613 B D Octanal CCCCCCCC=O Tox21_201415 -NCGC00259772-01 196721065 tox21-ror-cho-viability-p1 set3 4 -15.65594594 -11.94767345 -2.46005963 -1.5599435 -12.75178138 -8.77829481 -11.04889009 -13.0021797 -8.26862607 -5.53039208 -8.95685956 -9.53800945 -5.94752912 -4.03169192 -4.85303633 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 89-87-2 6991 144209421 A A 1,3-Dimethyl-4-nitrobenzene Cc1cc(C)ccc1[N+](=O)[O-] Tox21_202223 -NCGC00259516-01 196721070 tox21-ror-cho-viability-p1 set3 4 -8.42533251 0.50666902 0.33329859 -9.23249364 -8.66834758 -15.05774525 -0.6412753 -5.57718042 -0.43799964 -1.18383764 -1.75057375 -0.45698602 -13.87005377 -13.06379792 -8.76465142 1.1859999999E-9 2.651E-9 5.928E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3139999999E-7 7.409E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009262 112-80-1 445639 144209165 A A Oleic acid O=C(O)CCCCCCC/C=C\CCCCCCCC Tox21_201967 -NCGC00258830-01 196721073 tox21-ror-cho-viability-p1 set3 4 -6.53628478 -7.23852687 -10.69427298 0.48816254 -3.83143888 -6.18710864 -2.14575247 -4.85428652 -6.2344779 -0.83653785 -8.56149388 -7.97181115 -4.85418557 -4.1977259 -9.14190891 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041229999999 0.00009218 549-18-8 11065 144208476 A A Amitriptyline hydrochloride Cl.CN(C)CC\C=C1\c3ccccc3CCc2ccccc12 Tox21_201278 -NCGC00259825-01 196721075 tox21-ror-cho-viability-p1 set3 4 -1.4211412 2.66007946 -6.83153279 -7.88901403 -2.66345073 -1.70189465 -0.8502681 1.19294897 -1.3893236 -1.59730139 -2.65475997 -1.15992446 -0.95405187 -6.33383004 0.56877595 1.1919999999E-9 2.6649999999E-9 5.959E-9 1.332E-8 2.98E-8 6.662E-8 1.49E-7 3.331E-7 7.449E-7 0.0000016659999999 0.000003724 0.0000083279999999 0.00001862 0.00004164 0.00009311 94-28-0 7185 144209474 A A Triethylene glycol bis(2-ethylhexanoate) O=C(OCCOCCOCCOC(=O)C(CC)CCCC)C(CC)CCCC Tox21_202276 -NCGC00259520-01 196721452 tox21-ror-cho-viability-p1 set3 -2.4 17.5799443231 -24.0761800239 -3 -27.0761800239 1.4641 0.8578668104 0.0017610138 -11.06236767 -1.77388436 2.83306712 -7.07648307 -1.92072108 -2.65924084 -1.11322955 -2.05792816 -3.36033871 -2.4790529 -2.70633387 -9.62343888 -16.60127211 -21.11245255 -25.48015002 1.1999999999E-9 2.6819999999E-9 5.9979999999E-9 1.3409999999E-8 2.999E-8 6.7059999999E-8 1.5E-7 3.353E-7 7.498E-7 0.000001676 0.000003749 0.0000083819999999 0.000018739999999 0.00004191 0.000093719999999 128-04-1 560256 144209169 F Sodium dimethyldithiocarbamate [Na+].CN(C)C([S-])=S Tox21_201971 -NCGC00259059-01 196721456 tox21-ror-cho-viability-p1 set3 4 -7.27350425 0.25834482 -0.75902359 -1.24625748 -0.77483131 -7.05461047 -1.42229442 -8.09650236 -7.74379826 -10.18050842 -4.63488805 -2.05573799 -3.78598247 3.83721243 -0.32466511 1.216E-9 2.719E-9 6.079E-9 1.359E-8 3.0389999999E-8 6.796E-8 1.5199999999E-7 3.3979999999E-7 7.599E-7 0.000001699 0.000003799 0.0000084949999999 0.000018999999999 0.000042479999999 0.00009498 614-00-6 11957 144208706 AC D Nitrosomethylaniline O=NN(C)c1ccccc1 Tox21_201508 -NCGC00254887-01 196720276 tox21-ror-cho-viability-p1 set3 4 -1.678187 -4.0884712 2.51697796 2.83562015 2.07252675 0.44107853 3.31970072 -26.1178871 -8.41244321 1.32510001 4.24049722 3.53192335 -9.23688269 -19.57685744 -10.35914526 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 544-40-1 11002 144211302 AC Fns Dibutyl sulfide CCCCSCCCC Tox21_300985 -NCGC00260545-01 196724521 tox21-ror-cho-viability-p1 set3 -2.4 24.4850856083 -26.2069294439 -1 -27.2069294439 4.9549173134 0.8431217051 0.0027620887 -8.50868134 3.87500405 -6.70172022 -2.57568948 2.87144928 -4.8434632 3.44362002 1.57799881 -0.29600981 1.82541372 0.59278197 -0.68735525 -6.37385932 -29.33910787 -23.71486949 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003708 0.000008291 0.00001854 0.00004145 0.00009269 538-75-0 10868 144210198 A F Dicyclohexylcarbodiimide N(=C=N\C1CCCCC1)\C2CCCCC2 Tox21_203000 -NCGC00260355-01 196724934 tox21-ror-cho-viability-p1 set3 -2.2 17.053873378 -42.19485854 1 -41.19485854 1.4163171 0.8821881631 0.0012237092 -5.64759662 -1.14929193 -0.84441368 -0.60697037 4.71877934 2.20724091 4.46648819 -1.04608248 3.15004606 6.90580628 -7.46696527 -12.07195799 -18.69797709 -32.24571545 11.33157207 1.1699999999E-9 2.6159999999E-9 5.851E-9 1.3079999999E-8 2.925E-8 6.5409999999E-8 1.463E-7 3.271E-7 7.3129999999E-7 0.000001635 0.000003657 0.000008176 0.00001828 0.00004088 0.00009141 1634-02-2 15412 144210007 F F Tetrabutylthiuram disulfide S=C(SSC(=S)N(CCCC)CCCC)N(CCCC)CCCC Tox21_202809 -NCGC00258583-01 196724936 tox21-ror-cho-viability-p1 set3 -2.1 44.9548699881 -83.7484076417 1.4849122569 -82.2634953848 2.3331733767 0.9606414309 0.0000022382 -3.09811161 -0.92108855 3.47973497 -5.17640163 -0.45026112 3.38109565 7.52701729 2.7576429 -0.50379682 4.77720801 0.37866146 -0.79008822 -0.76051413 -43.44579202 -67.62386014 1.218E-9 2.723E-9 6.0889999999E-9 1.3619999999E-8 3.045E-8 6.808E-8 1.522E-7 3.4039999999E-7 7.611E-7 0.000001702 0.000003806 0.00000851 0.00001903 0.00004255 0.00009514 123-30-8 403 144208228 C 4-Aminophenol Nc1ccc(O)cc1 Tox21_201030 -NCGC00260286-01 196724939 tox21-ror-cho-viability-p1 set3 4 -3.63653916 -3.98115305 -1.53446168 -4.26396449 6.149041 -6.11177951 7.30331737 4.60620408 6.16699366 -0.13723126 -4.37241873 2.12271299 1.10642819 -2.9887955 2.2380894 2.973E-10 6.648E-10 1.4859999999E-9 3.324E-9 7.432E-9 1.662E-8 3.7159999999E-8 8.3099999999E-8 1.8579999999E-7 4.155E-7 9.29E-7 0.0000020769999999 0.0000046449999999 0.00001039 0.00002323 112-75-4 8211 144209936 Fns N,N-Dimethyltetradecylamine CN(C)CCCCCCCCCCCCCC Tox21_202738 -NCGC00357256-01 196724952 tox21-ror-cho-viability-p1 set3 4 0.0017228934 10.71797784 -9.21797784 1.5 4.9549173134 0.5197009393 0.1796227557 -7.6816482 0.26455216 1.98290433 -2.73713107 1.23051929 0.41968063 0.46136766 2.8494518 2.43820269 2.93392726 5.37626791 -3.62769535 2.75023161 3.60152112 -13.01216346 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 626-48-2 12283 251919929 A 6-Methyluracil O=C1C=C(C)NC(=O)N1 Tox21_304049 -NCGC00179536-02 196725356 tox21-ror-cho-viability-p1 set3 1.2 0.084126743 44.0128551016 -4.010749732 40.0021053696 0.4 0.7342839839 0.0398671776 1.56136244 2.12850433 2.12598786 8.5000967 2.13765793 22.78885394 23.59763418 30.51935917 15.2355587 15.82361485 27.15784125 41.66885976 35.06713245 31.1703874 24.58296069 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13292-46-1 5458213 170464760 A Rifampicin CN1CCN(CC1)/N=C/c3c2NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)C=CO[C@@]5(C)Oc4c(C)c(O)c(c2O)c(c3O)c4C5=O Tox21_111329_1 -NCGC00183022-01 196725360 tox21-ror-cho-viability-p1 set3 4 -0.97289173 1.25719305 3.74515792 13.16052823 17.46152255 1.33281061 -2.93442005 0.21705076 2.18525213 17.19229421 -4.11585022 9.95239946 8.10783024 7.37430516 0.94602735 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 31188-99-5 35751 144206862 A A 4'-Piperidinylcarbonylmethoxyacetophenone O=C(COc1ccc(cc1)C(C)=O)N2CCCCC2 Tox21_113311 -NCGC00166310-02 196725363 tox21-ror-cho-viability-p1 set3 1.1 0.7304823503 62.2214036028 -1.4698559699 60.7515476329 2.7202212143 0.9752358777 1.624E-7 0.36563714 -1.12432853 0.68477859 -0.38912915 -1.33916663 -1.81857309 -0.77477167 -1.87838941 1.05183978 -1.85909366 41.72440269 64.78385346 55.93222341 54.50398943 65.27949737 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 115550-35-1 60651 170465732 A Marbofloxacin CN1CCN(CC1)c4c(F)cc2c3N(C=C(C2=O)C(=O)O)N(C)COc34 Tox21_112406_1 -NCGC00256317-01 196707428 tox21-ror-cho-viability-p1 set1 4 -1.74578118 -2.35965987 -1.85136691 -1.42972644 -0.68659478 -0.49406048 -1.84762064 -2.88391716 0.57803412 -2.54149957 -0.98527741 -5.54231398 0.37665018 0.17789131 -1.19049096 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 607-57-8 11831 144213087 A A 2-Nitrofluorene [O-][N+](=O)c1ccc2c3ccccc3Cc2c1 Tox21_302770 -NCGC00256403-01 196707422 tox21-ror-cho-viability-p1 set1 4 -15.35614 -5.67014527 -3.27443578 -14.01464976 -8.81857924 -12.59098509 -16.76336595 -18.51607615 -17.08571759 -17.43567105 -5.33484583 -4.21095729 -11.0226827 -1.07929556 -6.97287419 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 97-59-6 204 144213229 Ac A Allantoin O=C1NC(=O)NC1NC(=O)N Tox21_302912 -NCGC00256635-01 196707423 tox21-ror-cho-viability-p1 set1 4 0.0611305649 3.975739968 -4.975739968 -1 1.331 0.4785725187 0.2020047084 -4.61723599 -2.2303768 -6.2079648 -8.31311664 -2.32713075 -3.36899393 -0.3384506 -3.3060779 0.13974409 -2.79002986 2.20575639 0.16126826 -1.38232237 -1.75667936 -2.02050091 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25152-85-6 5367706 144212980 A F (3Z)-Hex-3-en-1-yl benzoate O=C(OCC/C=C\CC)c1ccccc1 Tox21_302663 -NCGC00257308-01 196707431 tox21-ror-cho-viability-p1 set1 4 -15.43886111 -11.20089492 -12.21630266 -7.24479445 -21.4225314 -6.5389298 -7.95356607 -13.3100933 -19.03880119 -14.38761951 -10.4781869 -15.64178856 -6.84479407 -12.91111148 -9.34569736 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 40649-36-3 142482 144213660 A A 4-Propylcyclohexanone CCCC1CCC(=O)CC1 Tox21_303343 -NCGC00163843-03 196707823 tox21-ror-cho-viability-p1 set1 4 -0.27582467 2.3934971 -1.94835239 2.96324974 3.85018243 -0.09343903 -0.45869416 5.47965132 2.46512546 -2.12852133 -1.66880751 4.17628508 2.44948012 0.53480716 3.28197043 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00256986-01 196707826 tox21-ror-cho-viability-p1 set1 4 -8.82984621 -9.86950461 -13.76603034 -16.27143909 -11.09237958 -11.84628848 -11.12884433 -8.76410511 -15.79805089 -14.11330407 -18.0364132 -7.05156277 -14.77876882 -9.58562526 -8.22549872 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 770-35-4 92839 144213395 A Ac 1-Phenoxy-2-propanol CC(O)COc1ccccc1 Tox21_303078 -NCGC00256576-01 196707827 tox21-ror-cho-viability-p1 set1 4 -0.51523615 -0.3584718 -0.73427801 -4.15436602 0.19337278 1.58249982 1.04174322 -0.1999999 0.14077857 -0.95794903 0.31799204 1.06106851 1.15445259 0.80170007 2.13493619 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-42-9 24685 144213290 A A Propham CC(C)OC(=O)Nc1ccccc1 Tox21_302973 -NCGC00256773-01 196707844 tox21-ror-cho-viability-p1 set1 4 76.9588215421 10.8723115319 -3.8723115319 7 4.9549173134 0.3580734644 0.3144172288 -5.32187095 -5.93595511 -6.96626498 -2.44320244 -3.57587289 -5.52752503 -1.43248816 -2.34925255 -4.90117568 3.05860304 -9.06025961 -0.60615919 -3.43235557 -5.40829283 4.73772806 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2785-87-7 17739 144213039 A F 2-Methoxy-4-propylphenol Oc1ccc(cc1OC)CCC Tox21_302722 -NCGC00256550-01 196707846 tox21-ror-cho-viability-p1 set1 4 -2.38421652 5.58320631 5.29096055 2.76584379 4.92339061 0.27104872 -0.7829513 1.30827858 -1.92164155 3.25888486 2.83360213 4.99774906 -2.49465493 0.92265221 2.42276317 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13171-21-6 25750 144213165 A Ac Phosphamidon COP(=O)(OC)OC(C)=C(Cl)C(=O)N(CC)CC Tox21_302848 -NCGC00256595-01 196707019 tox21-ror-cho-viability-p1 set1 4 0.0024336516 9.4568403399 -3.9568403399 5.5 3.9294729863 0.3609000629 0.3111599347 -3.29736695 0.86530994 7.07234984 5.28229987 -0.01122023 0.31482472 5.93443684 6.2001005 11.15429725 5.22153544 5.57965678 -0.23001552 5.53094738 7.89151098 8.82805269 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3068-88-0 18303 144213305 F beta-Butyrolactone O=C1CC(C)O1 Tox21_302988 -NCGC00259307-01 196706602 tox21-ror-cho-viability-p1 set1 4 6.24847342 9.07576177 0.75451119 5.34116521 -0.17779298 -1.53710972 -0.25403745 0.53695858 -13.09113268 5.55906488 2.37084813 0.08802396 0.31197426 3.07561294 -0.26199616 1.1759999999E-9 2.63E-9 5.8799999999E-9 1.315E-8 2.94E-8 6.574E-8 1.4699999999E-7 3.2869999999E-7 7.35E-7 0.0000016439999999 0.0000036749999999 0.000008218 0.000018379999999 0.00004109 0.00009188 112-55-0 8195 144208956 AC F 1-Dodecanethiol CCCCCCCCCCCCS Tox21_201758 -NCGC00259890-01 196706623 tox21-ror-cho-viability-p1 set1 4 21.8223555187 -11.317364108 3 -8.317364108 4.0949729863 0.3828494092 0.3055981474 3.55033336 2.86625252 0.41123614 6.6494378 -1.22398546 -1.11378117 4.45115958 -1.9907267 7.31744475 12.10902524 0.91196678 2.22124865 -0.82418498 -7.76447009 -0.74560701 1.1859999999E-9 2.653E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001854 0.00004145 0.00009268 99-30-9 7430 144209539 A A Dicloran Clc1cc(cc(Cl)c1N)[N+]([O-])=O Tox21_202341 -NCGC00257042-01 196707016 tox21-ror-cho-viability-p1 set1 4 76.9588215421 12.138185216 -0.138185216 12 4.9549173134 0.4198088578 0.2549746555 0.54135904 0.17443264 0.32035416 0.67699452 0.89324194 -3.70685259 0.4080644 5.45648667 0.34421441 -5.94848768 3.68137994 -2.98827699 -0.16955572 -1.77447496 9.1086419 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1120-36-1 14260 144213368 F Fns 1-Tetradecene CCCCCCCCCCCCC=C Tox21_303051 -NCGC00022001-13 196705191 tox21-ror-cho-viability-p1 set1 4 0.0334914596 -16.07510742 3 -13.07510742 3.0654483358 0.6906465591 0.0423667803 0.4703472 1.3334158 5.7592473 4.6375199 -0.13075348 -3.8038249 -14.35438532 -8.73451642 -10.95011072 -11.95285003 -12.45485678 -7.99970704 -28.39592285 -12.85782405 -8.05087364 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 518-28-5 10607 170464788 A Podofilox COc1cc(cc(OC)c1OC)[C@H]3[C@H]2C(=O)OC[C@@H]2[C@@H](O)c4cc5OCOc5cc34 Tox21_110874_1 -NCGC00167500-02 196704779 tox21-ror-cho-viability-p1 set1 4 -1.60221719 -1.54370674 0.47389533 0.06832236 1.1249423 0.86697474 0.31886167 -0.4982777 0.41406644 2.14594582 -1.72889826 0.92916957 -2.04233659 0.99322218 -3.0200367 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54350-48-0 5282375 170465372 F Etretinate Cc1c(C)c(/C=CC(\C)=C\C=C\C(\C)=C\C(=O)OCC)c(C)cc1OC Tox21_112501_1 -NCGC00181130-02 196705180 tox21-ror-cho-viability-p1 set1 4 2.6190358 4.42334694 6.52852599 1.10451459 0.73336421 8.96033756 1.10624146 6.04730244 0.53619882 0.57221205 9.35807004 6.09014144 3.21973524 0.77100705 4.73898934 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 143322-58-1 77993 170465317 A Eletriptan CN4CCC[C@@H]4Cc2cnc3ccc(CCS(=O)(=O)c1ccccc1)cc23 Tox21_112737_1 -NCGC00253715-01 196705190 tox21-ror-cho-viability-p1 set1 4 1.60348659 2.48410823 -1.05738128 -0.82816135 0.39288147 2.65199145 0.89390572 1.71096365 -0.5291269 0.84895961 2.22834604 -0.48569128 1.18506329 1.1129878 0.94489569 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67914-60-7 712441 170466664 A A 4-(4-Acetylpiperazin-4-yl)phenol O=C(C)N1CCN(CC1)c2ccc(O)cc2 Tox21_113834 -NCGC00258875-01 196705604 tox21-ror-cho-viability-p1 set1 4 -5.36059398 -4.00771262 -4.48544043 -6.08769826 2.75280238 -5.40771092 1.90709819 -3.6992516 4.58612864 0 -5.61401612 -14.73620567 0.54416001 0.30871019 -0.72527406 1.2169999999E-9 2.722E-9 6.087E-9 1.361E-8 3.0429999999E-8 6.8049999999E-8 1.522E-7 3.403E-7 7.608E-7 0.0000017009999999 0.0000038039999999 0.000008507 0.000019019999999 0.00004253 0.000095109999999 280-57-9 9237 144208521 1,4-Diazabicyclo[2.2.2]octane C1CN2CCN1CC2 Tox21_201323 -NCGC00090698-04 196706013 tox21-ror-cho-viability-p1 set1 4 5.30184834 6.48489085 6.46849617 -1.07219132 4.56460026 3.55930965 4.63111497 0.71023629 0.50299768 11.4644476 4.68360149 5.31698464 4.01602423 3.33720604 3.20708831 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00258980-01 196706015 tox21-ror-cho-viability-p1 set1 -2.2 24.7826750068 -66.6119377589 1.8932809949 -64.718656764 1.24751 0.9315599096 0.0000455851 3.5891222 6.95216613 0.98449313 2.79847372 1.95588474 4.6047369 0.09595835 0.55536545 -13.49681656 5.97438381 0.52025514 -15.89109531 -24.69310673 -40.50879437 -55.18221397 1.198E-9 2.6779999999E-9 5.988E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.485E-7 0.0000016739999999 0.000003742 0.000008368 0.00001871 0.00004184 0.000093559999999 97-23-4 3037 144208627 A A Dichlorophen Oc2ccc(Cl)cc2Cc1cc(Cl)ccc1O Tox21_201429 -NCGC00259339-01 196706434 tox21-ror-cho-viability-p1 set1 4 1.63097374 3.14313957 0.54333988 0.24523133 1.60034328 2.7743125 0.12329172 1.35105102 -0.96131481 20.36788845 2.58978173 2.00049545 0.85748178 -0.22043284 5.58227594 1.167E-9 2.609E-9 5.8339999999E-9 1.305E-8 2.917E-8 6.523E-8 1.459E-7 3.261E-7 7.2929999999E-7 0.000001631 0.000003646 0.000008154 0.00001823 0.00004077 0.000091159999999 112-52-7 8192 144208988 AC Fns 1-Chlorododecane CCCCCCCCCCCCCl Tox21_201790 -NCGC00259157-01 196706438 tox21-ror-cho-viability-p1 set1 4 -12.57441791 5.01009763 -7.27666618 -11.32664872 -6.70171919 0.65723104 -5.64063027 -6.73977348 -3.27143638 0 5.08337936 -8.44756897 -2.72840534 0.72917881 2.77603291 1.22E-9 2.729E-9 6.102E-9 1.3639999999E-8 3.051E-8 6.822E-8 1.525E-7 3.411E-7 7.627E-7 0.000001705 0.000003813 0.0000085269999999 0.00001907 0.00004264 0.00009534 108-59-8 7943 144208806 B Ac Dimethyl malonate O=C(OC)CC(=O)OC Tox21_201608 -NCGC00259654-01 196706442 tox21-ror-cho-viability-p1 set1 4 4.25121958 -6.94045728 2.93704659 -4.78732688 7.51933507 3.99006696 -1.00743337 3.23611808 -6.15940427 6.17746588 2.9170924 0.76594591 2.29815576 0.79436045 0.6434332 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.977E-8 6.656E-8 1.4879999999E-7 3.3279999999E-7 7.4419999999E-7 0.0000016639999999 0.000003721 0.00000832 0.0000186 0.0000416 0.000093019999999 112-25-4 8170 144209303 A A 2-(Hexyloxy)ethanol OCCOCCCCCC Tox21_202105 -NCGC00258563-01 196702722 tox21-ror-cho-viability-p1 set1 2.4 78.0558023358 30.886460948 -2.886460948 28 4.9549173134 0.6836535587 0.0458051049 -4.52717013 -6.59135996 -8.45171554 0.97013082 -8.90985777 -1.13839437 -1.49831226 1.47843291 1.85678028 -9.07205079 2.28262125 1.0810129 -4.46474628 -5.84501664 21.48874203 1.194E-9 2.67E-9 5.9699999999E-9 1.335E-8 2.985E-8 6.6739999999E-8 1.4919999999E-7 3.337E-7 7.4619999999E-7 0.000001669 0.0000037309999999 0.000008343 0.00001866 0.00004171 0.00009328 4342-03-4 5281007 144208208 A A Dacarbazine CN(C)/N=N/c1ncnc1C(N)=O Tox21_201010 -NCGC00258585-01 196702715 tox21-ror-cho-viability-p1 set1 4 -8.08080521 -3.36700927 1.15314897 -4.5398984 -0.29863628 0.69416423 -9.64379541 1.62224411 0.43640351 -12.56352242 -1.98604077 -3.05601489 -3.17371656 -9.27543264 -5.64169918 1.152E-9 2.575E-9 5.759E-9 1.288E-8 2.879E-8 6.439E-8 1.44E-7 3.219E-7 7.199E-7 0.00000161 0.000003599 0.000008048 0.000018 0.00004024 0.00008998 4350-09-8 439280 144208230 A D L-5-Hydroxytryptophan O=C(O)[C@@H](N)Cc2cnc1ccc(O)cc12 Tox21_201032 -NCGC00258197-01 196702719 tox21-ror-cho-viability-p1 set1 4 1.64427748 0.73948443 1.12265641 -7.33494429 -6.19053573 -0.77807253 -0.26533029 -7.49736833 -5.59347135 -0.3616866 -0.80528215 -7.57285007 -5.13885335 1.80154549 4.22467761 1.204E-9 2.692E-9 6.02E-9 1.346E-8 3.01E-8 6.73E-8 1.5049999999E-7 3.365E-7 7.5239999999E-7 0.000001683 0.0000037619999999 0.000008413 0.000018809999999 0.00004206 0.00009406 124-63-0 31297 144207841 Methanesulfonyl chloride CS(Cl)(=O)=O Tox21_200643 -NCGC00258380-01 196702721 tox21-ror-cho-viability-p1 set1 4 4.8888223 2.24901429 3.81725959 0.86321422 4.90573017 0.72916118 5.55510949 1.6099993 6.27489026 1.13237374 5.69193371 3.72758305 2.09463659 0.57205597 -0.72294941 1.198E-9 2.679E-9 5.991E-9 1.34E-8 2.996E-8 6.698E-8 1.4979999999E-7 3.3489999999E-7 7.4889999999E-7 0.000001675 0.000003745 0.000008373 0.000018719999999 0.000041859999999 0.000093609999999 79-41-4 4093 144208024 A A Methacrylic acid C=C(C)C(=O)O Tox21_200826 -NCGC00182057-03 196726188 tox21-ror-cho-viability-p1 set3 2.4 33.4914596268 34.8201942119 -2.8201942119 32 4.9549173134 0.9312492021 0.0000469334 -2.36162858 -4.67969832 -0.67394944 -2.51478471 -1.61812759 0.05984424 -2.37332499 -2.07795309 -6.51682851 -3.24568723 -0.17523176 -1.28698615 -5.37766045 -2.90190727 26.63149438 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 90038-01-0 56031 170465639 A Detomidine hydrochloride Cl.Cc2cccc(Cc1cncn1)c2C Tox21_113020_1 -NCGC00164077-02 196725782 tox21-ror-cho-viability-p1 set3 -2.4 61.130564862 -36.0024953159 3 -33.0024953159 4.9549173134 0.7473772646 0.0202577192 0.65856571 3.85735038 5.31649339 10.09314857 10.2970525 -4.41022638 -3.73952474 0.7483945 2.16594225 7.41748163 4.3860745 -5.1833849 5.17029203 -1.8004513 -28.75207943 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00094985-05 196726176 tox21-ror-cho-viability-p1 set3 -1.2 0.0047307944 -29.897655388 14 -15.897655388 0.6999999999 0.8310249624 0.0038501426 5.79505972 10.39356354 0 0 -10.73241532 -13.02673864 -9.09355521 -10.85592082 -14.39363852 -13.64607671 -16.61787535 -7.56613348 -21.58137949 -15.99003066 -20.06920048 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 148-01-6 3092 170465727 A Zoalene Cc1c(cc(cc1[N+](=O)[O-])[N+]([O-])=O)C(N)=O Tox21_111374_1 -NCGC00090789-02 196726183 tox21-ror-cho-viability-p1 set3 4 0.0086349218 12.5 0.5 13 4.5044702849 0.4755013325 0.2005034363 0.12020454 0.5914406 2.35949772 10.78665974 21.23784813 9.59999693 0 17.52157 13.99886552 14.87583192 20.88814801 10.29273446 9.57120028 18.20593833 9.92523685 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00068236-07 196726193 tox21-ror-cho-viability-p1 set3 1.1 1.1883218301 65.402508786 -2.8320952585 62.5704135275 3.9294729863 0.9909230777 5E-10 -7.19539859 -5.31943896 0.86367425 1.41538162 -2.93658222 0.88554094 -4.1463919 -3.89757718 -3.12449104 8.92210381 51.89283681 66.75694042 58.24952122 61.87905922 64.25645325 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112811-59-3 5379 170465592 A Gatifloxacin CC1CN(CCN1)c2c(F)cc3c(c2OC)N(C=C(C3=O)C(=O)O)C4CC4 Tox21_110984_1 -NCGC00095124-08 196726199 tox21-ror-cho-viability-p1 set3 4 26.6032120037 16.041352756 0.458647244 16.5 3.9899729863 0.7454165859 0.0210934594 0.74784509 6.21390727 4.85564891 0.48102659 -0.32674586 -0.42252633 0 -0.03024438 -0.75665566 0.34945438 -2.53446063 -1.31876165 -0.29882132 4.41798889 15.00336532 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122320-73-4 77999 170465417 A Rosiglitazone CN(CCOc2ccc(CC1SC(=O)NC1=O)cc2)c3ccccn3 Tox21_111434_1 -NCGC00160547-02 196726200 tox21-ror-cho-viability-p1 set3 1.2 0.7497803863 51.3461270842 -1.7239803854 49.6221466988 2.5334283767 0.9882172662 1.06E-8 -2.71388912 0.96777379 -0.8170514 -2.01192375 -2.49409116 -1.22449576 -2.76779217 0.91719177 2.63215919 28.61913518 41.72319509 49.45201048 55.28480346 45.89689096 39.66662064 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17692-39-6 71693 170466319 A Fomocaine C(CCN1CCOCC1)c3ccc(COc2ccccc2)cc3 Tox21_111890_1 -NCGC00257192-01 196726600 tox21-ror-cho-viability-p1 set3 4 0.21379819 2.0362621 -0.56633282 0.45886434 -8.70827703 -6.61924788 -5.80945377 -5.9327871 -1.15259092 -1.98157924 0.30677029 3.78683283 -0.80231314 -0.06622533 0.52927118 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 463-40-1 5280934 144213639 F Fns Linolenic acid O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC Tox21_303322 -NCGC00256925-01 196727010 tox21-ror-cho-viability-p1 set3 3 68.5896218971 40.216585192 1.783414808 42 3.9899729863 0.7872907552 0.0102637704 -0.82350241 8.88206985 2.04094238 0.13515883 3.65122659 2.88858994 -3.05866686 -0.92933073 1.33484766 -5.18048766 -0.1350586 10.56592589 5.99857189 6.61004416 32.8036073 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2469-55-8 17181 144213032 A A 3,3'-(1,1,3,3-Tetramethyldisiloxane-1,3-diyl)dipropan-1-amine C[Si](C)(CCCN)O[Si](C)(C)CCCN Tox21_302715 -NCGC00256768-01 196726612 tox21-ror-cho-viability-p1 set3 4 0.086349218 4.0941300559 -1.5941300559 2.5 4.9549173134 0.5170024801 0.167180621 1.16196469 -1.15793287 -0.99525987 -0.69696881 -5.49510838 -1.00591084 3.4210943 1.89158518 0.73736603 1.72988177 5.03154547 0.68755557 1.28500739 1.69559827 4.70935927 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15619-48-4 85025 144212945 A A 1-Benzylquinolinium chloride [Cl-].c2cccc3ccc[n+](Cc1ccccc1)c23 Tox21_302628 -NCGC00256552-01 196726615 tox21-ror-cho-viability-p1 set3 4 -1.93608926 2.84217458 0.65131633 -1.55150803 -3.15358859 1.39845531 0.99883051 -0.46343712 2.69093308 0.07431659 0.66833439 0.09255353 1.26373192 -2.14933468 -1.95864968 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 150-76-5 9015 144213193 A A 4-Methoxyphenol Oc1ccc(OC)cc1 Tox21_302876 -NCGC00257017-01 196726616 tox21-ror-cho-viability-p1 set3 4 2.4336516212 18.31167954 -12.31167954 6 2.9022712143 0.6202616721 0.0826747964 -19.83572085 -10.40041233 -1.67685523 -3.9897759 -4.24349454 -10.02047227 -20.37362816 -22.75973295 -17.33977236 -4.66107953 0 7.04770111 6.90796579 0.40376971 9.57114889 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14371-10-9 637511 144213588 D (2E)-3-Phenylprop-2-enal O=C\C=C\c1ccccc1 Tox21_303271 -NCGC00260013-01 196721097 tox21-ror-cho-viability-p1 set3 4 -17.2566163 -6.94945014 -4.78922229 -0.55127241 -4.61050147 -6.8794039 -6.63854348 -4.82619 -5.85105933 -6.09154384 -7.0879092 -19.90202391 -10.40658043 -9.28711443 -22.39301623 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6239999999E-8 1.481E-7 3.312E-7 7.405E-7 0.000001656 0.0000037029999999 0.000008279 0.00001851 0.0000414 0.000092569999999 3160-37-0 18480 144209662 A A Piperonal acetone CC(=O)C=Cc1ccc2OCOc2c1 Tox21_202464 -NCGC00254752-01 196720677 tox21-ror-cho-viability-p1 set3 4 -3.44059211 -2.12934677 9.57930824 -4.81709621 11.04966718 1.26855001 -3.19224259 5.8222294 9.0217196 -3.51507995 0.07140299 7.00859695 1.46919021 0.59728619 4.02691379 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123343-16-8 23682187 144211166 A A Pyrithiobac-sodium [Na+].[O-]C(=O)c2c(Sc1nc(cc(OC)n1)OC)cccc2Cl Tox21_300849 -NCGC00254323-01 196720681 tox21-ror-cho-viability-p1 set3 1.4 0.0038570779 22.620665952 -23.120665952 -0.5 0.4 0.8064573279 0.0069867097 -14.25782635 -17.60055496 -7.2477607 -6.30602845 -5.42882913 -6.62616226 -7.1500947 -5.8823894 -3.73071478 -1.68913089 -2.05942161 -1.8441176 -3.00556402 -0.09904122 0.81211846 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-49-2 8189 144210827 A Triethylene glycol dimethyl ether COCCOCCOCCOC Tox21_300509 -NCGC00254931-01 196720688 tox21-ror-cho-viability-p1 set3 4 0.00482616 18.293683932 -18.890954576 -0.597270644 0.2 0.4574810008 0.2187044663 -14.07579548 -9.42673678 -8.6875613 -4.3815682 -9.14403481 -7.46685472 -4.84542384 -11.72347086 -7.08021383 -0.41793235 -6.51074571 -7.1781796 -0.66361505 -0.08105887 -4.5414425 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 122008-85-9 180089 144211346 A A Cyhalofop-butyl O=C(OCCCC)[C@@H](C)Oc1ccc(cc1)Oc2ccc(cc2F)C#N Tox21_301029 -NCGC00259229-01 196721099 tox21-ror-cho-viability-p1 set3 4 -4.76143181 0.12348805 5.87977255 10.10471059 -2.46475395 -4.59711193 -4.09574139 -1.69569981 -4.75397747 -2.66417373 -4.39032943 -1.82336245 -2.36112408 8.47431043 5.73824947 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 142-09-6 8872 144208878 A Fc Hexyl methacrylate O=C(OCCCCCC)C(=C)C Tox21_201680 -NCGC00258868-01 196721498 tox21-ror-cho-viability-p1 set3 4 -10.2292091 -9.28938965 -3.84151178 -7.31948765 -6.97977736 -10.18917709 -5.32091041 -5.17284918 -9.24825176 -5.54223527 -8.58298041 -4.52734776 -1.47115403 -2.82573838 -4.17446973 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.586E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009204 693-98-1 12749 144208514 A Fns 2-Methylimidazole Cc1nccn1 Tox21_201316 -NCGC00259224-01 196721894 tox21-ror-cho-viability-p1 set3 -1.1 0.1743939869 -84.2443589447 -3.248513136 -87.4928720807 4.4494702849 0.9751366275 1.661E-7 -3.06572574 -3.34746629 -3.28216372 -2.63246566 -7.55112601 -2.93425079 -28.75821313 -84.99880248 -87.44043046 -83.10582722 -70.10038244 -81.73363499 -93.39274427 -98.5280091 -96.06025663 1.1919999999E-9 2.6659999999E-9 5.962E-9 1.333E-8 2.981E-8 6.6659999999E-8 1.491E-7 3.3329999999E-7 7.4529999999E-7 0.0000016669999999 0.000003726 0.000008333 0.00001863 0.00004166 0.00009316 683-18-1 12688 144208873 A Ac Dibutyltin dichloride CCCC[Sn](Cl)(Cl)CCCC Tox21_201675 -NCGC00259251-01 196722278 tox21-ror-cho-viability-p1 set3 4 24.2128237097 9.3315815799 -2.8315815799 6.5 4.9549173134 0.3789594382 0.2927576493 -4.69931203 0.39633023 0.52610118 8.74885121 -4.84340706 -5.51736915 -5.69298465 -5.08120337 -5.47169266 -0.6528366 -5.28987353 -2.62365753 -3.15617987 9.07518017 4.03942607 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.000018359999999 0.000041049999999 0.000091779999999 150-13-0 978 144208900 A A 4-Aminobenzoic acid OC(=O)c1ccc(N)cc1 Tox21_201702 -NCGC00259804-01 196722277 tox21-ror-cho-viability-p1 set3 1.4 0.0055092707 18.87358098 -18.87358098 0 1.92824246 0.8638113268 0.0014474734 -16.90245726 -16.97798415 -7.03475518 -5.55957344 1.64997338 -0.74572803 1.44594653 0.05606734 -0.41282695 -0.14389181 -1.21352263 -0.09460632 1.02298724 -4.86477258 5.59790026 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.33E-7 7.446E-7 0.000001665 0.0000037229999999 0.000008324 0.00001861 0.00004162 0.000093069999999 126-00-1 67174 144209453 A A Diphenolic acid Oc1ccc(cc1)C(C)(CCC(=O)O)c2ccc(O)cc2 Tox21_202255 -NCGC00260418-01 196711538 tox21-ror-cho-viability-p1 set2 4 0.8652487328 -14.90571474 -1 -15.90571474 1.331 0.5838316708 0.1233339902 -0.88746193 0 -0.0735369 0.02913032 -1.28813194 -0.80765624 -5.35933816 -7.8106124 0.30280505 -19.46553998 -5.5847644 -27.42142895 -12.51037777 -12.57639007 -5.32832788 1.182E-9 2.6429999999E-9 5.91E-9 1.322E-8 2.955E-8 6.608E-8 1.4779999999E-7 3.304E-7 7.388E-7 0.0000016519999999 0.0000036939999999 0.0000082599999999 0.000018469999999 0.000041299999999 0.00009235 797-63-7 13109 144210070 A A Norgestrel O=C4CC[C@H]3C(CC[C@@H]2[C@@H]3CC[C@@]1(CC)[C@H]2CC[C@@]1(O)C#C)=C4 Tox21_202872 -NCGC00260320-01 196711519 tox21-ror-cho-viability-p1 set2 2.4 2.6825247276 26.4242531401 1.5757468599 28 2.7202212143 0.9357763409 0.0000327615 2.02340064 2.03226431 -0.43227071 0.83492497 -0.77021095 3.48621953 0.12559579 3.23626208 1.75277489 3.37405984 0.60911962 1.84482074 3.34312005 8.12372687 26.57675941 5.94E-11 1.328E-10 2.97E-10 6.641E-10 1.485E-9 3.321E-9 7.4249999999E-9 1.66E-8 3.712E-8 8.301E-8 1.8559999999E-7 4.151E-7 9.281E-7 0.000002075 0.000004641 15721-78-5 85069 144209971 A 4,4'-bis(1,1,3,3-Tetramethylbutyl)diphenylamine CC(C)(C)CC(C)(C)c1ccc(cc1)Nc2ccc(cc2)C(C)(C)CC(C)(C)C Tox21_202773 -NCGC00259046-01 196711520 tox21-ror-cho-viability-p1 set2 -3 69.0781761974 -81.8803950295 2.7933968625 -79.086998167 4.9549173134 0.9530870691 0.0000059249 -2.63221261 6.10518012 5.08907906 1.75020021 6.06902623 -1.68708315 1.18617742 -0.90439444 -0.43252105 1.44180682 2.50159419 9.7773023 2.13204608 3.58956148 -64.35476045 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.4829999999E-7 3.317E-7 7.417E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.00004146 0.000092709999999 50-29-3 3036 144208693 A A p,p'-DDT Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl Tox21_201495 -NCGC00091645-07 196712590 tox21-ror-cho-viability-p1 set2 4 -2.19109034 -4.00678924 -4.22877502 -4.9117206 -0.76640106 -1.96510004 0.56740524 0 -0.13208462 -0.03657724 0.03849432 1.39049562 0.71497824 0.72902659 0.66288452 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 121-33-5 1183 170466786 A 4-Hydroxy-3-methoxybenzaldehyde Oc1ccc(cc1OC)C=O Tox21_113534_1 -NCGC00181912-01 196712584 tox21-ror-cho-viability-p1 set2 4 -2.07149209 -2.65866284 -2.5119892 -4.75174694 -0.9030253 -0.11837003 -1.23884152 -2.93839614 -0.3635145 0.57748747 -0.5590586 0.42870195 -1.6001389 -0.76458322 0.26945875 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127985-21-1 10251042 144206800 A A Iomazenil O=C(OCC)c3ncn2c3CN(C)C(=O)c1c(I)cccc12 Tox21_113249 -NCGC00018221-10 196712600 tox21-ror-cho-viability-p1 set2 4 1.84802259 -1.4012049 0.55190347 -1.3922305 -1.88856012 -0.59872225 -1.32244457 0.67270651 3.32598973 1.52763911 2.40397307 -0.29020419 2.25835783 -1.62896343 0.51919606 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 132-60-5 8593 170466318 A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_110841_1 -NCGC00319022-01 196712999 tox21-ror-cho-viability-p1 set2 4 -2.36630522 -2.46590861 -4.65741155 -3.87534892 -0.08179015 -2.79673289 0.18976374 -1.91028324 1.20425859 -0.03028321 1.51869493 0.52284011 1.47527868 0.08278451 4.85648519 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 137-86-0 3034020 170465976 Ac F Octotiamine Nc1nc(C)ncc1CN(C=O)C(\C)=C(/CCO)SSCCC(CCCCC(=O)OC)SC(C)=O Tox21_113988 -NCGC00261980-01 196713008 tox21-ror-cho-viability-p1 set2 4 -1.31233035 -6.90713455 -7.09664768 -2.78101932 -6.44506482 -3.12064354 -7.42276684 -7.11057725 2.1483472 -7.22954991 -6.95921234 -5.23779354 -2.32073863 -4.68669066 -0.13152849 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 502-59-0 10406 170466280 Ac Fns Octamylamine CC(C)CCNC(C)CCCC(C)C Tox21_113900 -NCGC00167558-02 196713009 tox21-ror-cho-viability-p1 set2 1.1 5.9557173066 95.9367322544 0.8836623709 96.8203946253 2.4063783767 0.9828621893 1.94E-8 -0.90742461 1.93545676 -0.78342923 0.10360055 0.35833347 -0.05492488 -0.36997164 7.26420233 5.56315856 0.61946982 6.72286629 16.88017762 80.06776973 94.36685636 91.59817519 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79660-72-3 3357 170466056 A Fleroxacin CN1CCN(CC1)c2c(F)c3c(cc2F)C(=O)C(=CN3CCF)C(=O)O Tox21_112553_1 -NCGC00023064-05 196713011 tox21-ror-cho-viability-p1 set2 4 0.2113168243 -6.405447016 2 -4.405447016 1.78848746 0.6925958543 0.0421965064 5.03916538 0.43545746 1.10562192 1.17052704 0.67629943 3.06943176 -0.54653364 0.12305573 -2.32463656 -5.03940657 -5.05743867 -5.32389373 0.67587102 -5.1814332 -5.75453918 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 520-85-4 10631 170466063 A Medroxyprogesterone CC(=O)[C@@]3(O)CC[C@H]2[C@@H]4C[C@H](C)C1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_113401_1 -NCGC00259009-01 196709712 tox21-ror-cho-viability-p1 set2 4 3.67923787 -4.8149881 0.71744568 5.9559583 1.41883097 0.73129411 2.20120713 3.11479102 -0.20852978 3.47967913 -0.13307156 4.88368179 2.77619446 3.62178955 0.52825872 1.1989999999E-9 2.6809999999E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.7019999999E-8 1.4989999999E-7 3.351E-7 7.493E-7 0.000001675 0.000003746 0.000008377 0.00001873 0.00004189 0.00009366 103-33-3 2272 144208656 I Azobenzene N(=N/c1ccccc1)\c2ccccc2 Tox21_201458 -NCGC00259421-01 196709701 tox21-ror-cho-viability-p1 set2 4 60.3232910561 -10.0900229839 0.5 -9.5900229839 3.9899729863 0.3531611712 0.3188582607 0.88041202 0.49123296 -0.70818523 -5.38477511 -0.36276872 0.45804517 -1.37528582 0.234855 6.9613625 -0.72919697 0.54871006 7.47837767 1.2503416 -1.26652101 -7.99168582 1.167E-9 2.609E-9 5.8339999999E-9 1.304E-8 2.917E-8 6.522E-8 1.458E-7 3.261E-7 7.2919999999E-7 0.000001631 0.000003646 0.000008153 0.00001823 0.000040759999999 0.00009115 126-73-8 31357 144209070 A A Tributyl phosphate CCCCOP(=O)(OCCCC)OCCCC Tox21_201872 -NCGC00258909-01 196709703 tox21-ror-cho-viability-p1 set2 -3 68.8687250228 -49.3407091657 0.7245691099 -48.6161400558 4.9549173134 0.9709950795 4.017E-7 -0.16734045 2.22656505 0.94610893 -1.86569148 1.62554167 -1.8316048 -1.32733284 2.97959457 1.00817953 1.74384888 1.85831682 -1.2268757 -0.0458733 0.45050344 -39.77471433 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.96E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 33089-61-1 36324 144208555 A B Amitraz Cc2ccc(/N=C/N(C)/C=N/c1ccc(C)cc1C)c(C)c2 Tox21_201357 -NCGC00259530-01 196709710 tox21-ror-cho-viability-p1 set2 -3 68.3804186691 -95.1751813473 0.5831197119 -94.5920616354 4.5044702849 0.9938521929 0 -0.00780769 0.26734719 1.70293316 4.09573809 0.30716241 0.44268137 -0.80187939 0.00985226 1.61248784 0.94975735 -3.31264636 0.59957013 0.4503212 -8.26395152 -75.07306479 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.0000016459999999 0.00000368 0.000008228 0.000018399999999 0.000041139999999 0.000091989999999 79-94-7 6618 144209179 A A 3,3',5,5'-Tetrabromobisphenol A Brc1cc(cc(Br)c1O)C(C)(C)c2cc(Br)c(O)c(Br)c2 Tox21_201981 -NCGC00259697-01 196709714 tox21-ror-cho-viability-p1 set2 4 75.5522415161 -11.522902684 0.5 -11.022902684 4.0449729863 0.485536749 0.1943290215 -1.40438544 -0.67453863 1.28728034 -1.87633768 1.76962851 0.76851696 -0.65341398 4.9149776 1.59732382 0.4666266 -1.10210435 5.49210633 -1.65989024 -0.26292124 -7.51908557 1.162E-9 2.599E-9 5.812E-9 1.2999999999E-8 2.9059999999E-8 6.4979999999E-8 1.453E-7 3.249E-7 7.265E-7 0.000001624 0.000003632 0.000008122 0.00001816 0.00004061 0.000090809999999 13547-70-1 83572 144209346 D 1-Chloro-3,3-dimethyl-butan-2-one CC(C)(C)C(=O)CCl Tox21_202148 -NCGC00094918-07 196713808 tox21-ror-cho-viability-p1 set2 4 -0.50089289 -0.18429659 0.40969193 -0.57263113 -0.34478462 -0.62976259 -0.54533427 0.55381053 0.78786277 -0.13509186 0.25138286 1.00635984 -0.13214787 1.05332414 1.79815044 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 81-07-2 5143 170465766 A Saccharin O=C2NS(=O)(=O)c1ccccc12 Tox21_111358_1 -NCGC00095933-04 196712973 tox21-ror-cho-viability-p1 set2 4 11.8832183006 -15.8259151641 -0.2269752839 -16.052890448 0.2 0.5645315257 0.1255821 -1.71009696 -1.43914607 -2.39861936 -3.8374022 -4.90100002 -4.983744 -2.00317386 -2.40625544 -7.90122896 -10.10017886 -3.00311234 -6.38658223 -8.73879536 -6.44154182 -11.71074204 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 133-11-9 8609 170465273 A Phenyl 4-aminosalicylate Oc2cc(N)ccc2C(=O)Oc1ccccc1 Tox21_111538_1 -NCGC00015237-07 196712991 tox21-ror-cho-viability-p1 set2 4 -0.44808165 0.07190014 -0.00712014 -0.41841381 -0.2122619 1.30114871 -0.0703267 0.89726131 -3.85225827 0.46492742 -0.67872341 0.62244291 -0.42310067 4.54793535 5.08307473 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-83-2 5831 170464972 Z Carbachol [Cl-].C[N+](C)(C)CCOC(=O)N Tox21_112029_1 -NCGC00091483-03 196713390 tox21-ror-cho-viability-p1 set2 -2.2 54.4826732819 -45.6355390375 2.4606971945 -43.174841843 1.98874246 0.9307686177 0.0000485707 8.20585925 4.60155656 0.96943866 1.60904588 -0.79020754 5.27097333 6.4315122 1.35330841 0.72131572 0.81208849 0.82799901 -2.00835767 -1.35195738 -14.38199915 -32.58019686 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00016329-07 196713810 tox21-ror-cho-viability-p1 set2 4 2.15300678 -2.03705206 4.30556272 0.59909484 -0.38555267 0.04456078 4.88894166 -0.92822526 0.42330091 -0.32486342 1.48681534 1.52280238 -1.93110385 -2.32427576 -0.10991943 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83-12-5 4760 170465130 F Phenindione O=C2c1ccccc1C(=O)C2c3ccccc3 Tox21_110375_1 -NCGC00164077-02 196713814 tox21-ror-cho-viability-p1 set2 4 0.56589889 3.58670245 3.99140989 4.07711324 -0.94484864 1.57152428 2.00065841 4.16530623 -1.47457323 2.61958037 1.32378703 -1.19399476 3.70102318 -0.43839866 1.86746332 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00163774-04 196713815 tox21-ror-cho-viability-p1 set2 4 -4.24182726 -1.53815874 -3.79930899 -3.84873583 -3.97864624 -0.07186444 -1.63086059 -2.37599947 -1.60594357 -2.4269631 -3.61902931 -3.78181247 -4.13482749 -3.78042172 -6.02187754 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00090789-02 196713819 tox21-ror-cho-viability-p1 set2 4 0.00488602 0.69826664 -0.19622853 4.44757386 2.78869682 2.15294325 2.23413533 1.71023094 -0.90539901 -0.27371607 -1.11243937 -3.14269786 -1.88636204 1.491252 0.55284815 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00164329-03 196725866 tox21-ror-cho-viability-p1 set3 4 33.4914596268 -33.560811128 0.5 -33.060811128 4.9549173134 0.7787291562 0.3972191603 1.76316175 3.63486503 1.382988 -1.1021297 1.83563324 -0.66831379 -11.21119038 -2.68290004 2.77782038 -1.07884891 1.98792088 4.79820455 4.04266622 35.11842918 -27.55067594 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112-90-3 5356789 170466579 A (Z)-9-Octadecenylamine CCCCCCCC\C=C/CCCCCCCCN Tox21_112099_1 -NCGC00178714-04 196725462 tox21-ror-cho-viability-p1 set3 4 0.66094489 5.86932199 -0.59126973 2.00132718 3.64062485 1.92820558 2.32250128 1.08663514 0 1.29615376 1.1790911 -1.76218844 0.01872946 4.10757971 -0.03814021 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97240-79-4 5284627 170464746 A Topiramate NS(=O)(=O)OC[C@]23OC[C@H]1OC(C)(C)O[C@H]1[C@@H]3OC(C)(C)O2 Tox21_111472_1 -NCGC00015603-08 196725466 tox21-ror-cho-viability-p1 set3 1.1 5.3080386368 63.8858232618 0.1393742734 64.0251975352 1.6266150999 0.8558168361 0.0018733854 -1.30645086 -5.45872927 1.01323637 0.8593844 2.8696862 -1.18514776 0.42222993 -0.29445628 1.08799378 1.70284233 30.03449464 3.54557887 60.74428278 58.72427551 56.42960124 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98079-52-8 68624 170465262 A Lomefloxacin hydrochloride Cl.O=C(O)C2=CN(CC)c1c(F)c(c(F)cc1C2=O)N3CC(C)NCC3 Tox21_110716_1 -NCGC00167446-02 196725467 tox21-ror-cho-viability-p1 set3 4 26.6032120037 -20.566923184 -0.5 -21.066923184 4.9549173134 0.425088648 0.2476225884 0 -4.54261717 5.93917263 3.0218553 -7.15447634 6.18799584 -12.22573436 -11.7664016 1.56899774 3.18024225 1.96282986 4.98159986 3.64193913 -4.77119533 -20.05576932 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 135-07-9 4121 170465243 A Methyclothiazide NS(=O)(=O)c2cc1c(NC(CCl)N(C)S1(=O)=O)cc2Cl Tox21_112450_1 -NCGC00254086-01 196699389 tox21-ror-cho-viability-p1 set1 4 0.56089413 3.69691054 1.19554482 1.36893963 0.51031826 -0.38946529 5.07606053 4.28977159 -1.22318629 2.21782954 0.61075011 0.92589405 3.25798496 1.44331891 1.398832 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1300-72-7 23668192 144210392 Ac Ac Sodium xylenesulfonate [Na+].Cc1ccc(cc1C)S(=O)([O-])=O Tox21_300072 -NCGC00254283-01 196698974 tox21-ror-cho-viability-p1 set1 4 1.14599607 2.22403677 0.0678618 2.60238363 -1.37918472 -0.20548012 1.41391461 1.09927214 0.45515129 1.98144781 -0.17387025 -0.99187693 -0.92548584 0.15003988 3.36969374 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-18-5 15600 144210654 FNS Decane CCCCCCCCCC Tox21_300336 -NCGC00254310-01 196698976 tox21-ror-cho-viability-p1 set1 4 -2.41968644 -0.97565837 -0.23368234 -0.81269036 0.21421495 -5.00307731 -2.40165632 -9.00134934 -4.15590813 -3.21132496 1.10643225 1.03352984 -1.16559443 -2.19790204 -10.23729896 8.8889999999E-10 1.988E-9 4.445E-9 9.938E-9 2.222E-8 4.969E-8 1.111E-7 2.485E-7 5.5559999999E-7 0.000001242 0.000002778 0.0000062119999999 0.000013889999999 0.00003106 0.00006945 126-14-7 31340 144210704 A A Sucrose octaacetate CC(=O)O[C@H]1[C@H](O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)O[C@]2(COC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O Tox21_300386 -NCGC00163724-03 196699383 tox21-ror-cho-viability-p1 set1 4 0.13356681 0.10131603 0.54446152 4.09074946 -2.43815941 -0.71266724 -0.67498685 -0.50591433 -1.25300475 0.13687946 0.38695869 2.96218552 0.39057132 0.49251895 -4.21958031 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00254391-01 196699811 tox21-ror-cho-viability-p1 set1 -3 23.4119088339 -36.9123650333 0 -36.9123650333 1.287561 0.6975871836 0.039099534 2.26647543 1.5406511 0.37459547 -0.12172669 0.25715455 -1.92532466 -1.41917348 -8.74069971 2.52753736 -1.54773943 1.29842194 -1.2202083 -28.0892428 -9.48967993 -36.18859317 1.038E-9 2.321E-9 5.191E-9 1.161E-8 2.595E-8 5.803E-8 1.2979999999E-7 2.902E-7 6.488E-7 0.000001451 0.000003244 0.0000072539999999 0.000016219999999 0.00003627 0.00008111 NOCAS_47349 53316398 144210789 A A AVE8488 Cl.O.Fc1ccc(cc1)[C@H]5CN(C)CCN5Cc2cc(co2)c3ccc4nc(O)oc4c3 Tox21_300471 -NCGC00255000-01 196699813 tox21-ror-cho-viability-p1 set1 4 -0.97048716 -4.79275145 -0.66457505 -6.2650385 -6.45246603 -3.25164842 -5.99421818 -0.77968378 -0.56742477 -1.35455751 -5.4767064 -3.96185997 -4.87989105 -0.45674149 -6.31112868 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 161050-58-4 105010 144211417 A A Methoxyfenozide Cc1c(cccc1OC)C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C Tox21_301100 -NCGC00024715-05 196698161 tox21-ror-cho-viability-p1 set1 4 6.23529768 1.63174615 -0.53209836 -1.46277094 8.06784987 -1.84028135 -0.08473844 -0.84011413 1.46613305 -0.48517662 6.40746535 1.92252155 -0.20804434 0.87834695 0.05288778 5.899E-11 1.319E-10 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 74-79-3 6322 170465748 F L-Arginine N[C@@H](CCCNC(=N)N)C(=O)O Tox21_113046_1 -NCGC00263546-01 196697736 tox21-ror-cho-viability-p1 set1 4 -4.09626297 4.18513901 3.55562268 0.44193278 1.06868742 -1.73554109 1.41809796 4.27605631 0.21239277 0.31050545 -4.22754807 3.31571191 1.19854285 3.91111609 0.24892762 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82586-52-5 54889 170465131 B Moexipril hydrochloride Cl.O=C(OCC)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2Cc3cc(OC)c(OC)cc3C[C@H]2C(=O)O Tox21_112590_1 -NCGC00166308-02 196697746 tox21-ror-cho-viability-p1 set1 4 0.77533924 1.15221671 -2.88595783 -0.88745859 -1.83123045 0.79561264 -2.06272968 -0.39672925 -2.00354374 -0.60523911 -0.38727395 -3.06302245 0.79753267 0.61200867 -0.04707925 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 91296-86-5 56205 170465623 A Difloxacin hydrochloride Cl.CN1CCN(CC1)c2cc3N(C=C(C(=O)O)C(=O)c3cc2F)c4ccc(F)cc4 Tox21_112405_1 -NCGC00182072-03 196697755 tox21-ror-cho-viability-p1 set1 4 0.9439175816 3.853466484 -2.853466484 1 4.9549173134 0.3360220851 0.3375186756 -0.00701629 -2.98091984 -0.32078182 -2.60310274 -2.5149789 0.21154497 -4.17431608 -3.15029984 -9.46122207 -1.41449986 1.87610421 -1.14233188 0.25030342 0.13407525 2.75672513 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 70-07-5 6257 170466491 A Mephenoxalone COc2ccccc2OCC1CNC(=O)O1 Tox21_113149_1 -NCGC00253681-01 196698164 tox21-ror-cho-viability-p1 set1 4 -0.01423376 4.99665898 0.62214105 1.72057717 0.50321229 1.05521876 1.09441944 -0.26411408 -0.70661692 0.98388022 -0.55601339 1.37212176 2.41015543 1.16819553 2.09361052 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33924-48-0 118574 170466718 Ac A Methyl 5-chloro-o-anisate COc1ccc(Cl)cc1C(=O)OC Tox21_113805 -NCGC00016395-06 196698169 tox21-ror-cho-viability-p1 set1 4 -1.81582179 -4.19854112 3.76370574 1.64643217 -1.75374018 0.07014137 2.11961698 3.98951717 -1.30705662 0.10587525 -2.77737277 1.1090922 -1.10822069 -1.80145817 2.61983843 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 132-18-3 66063 170464816 A Diphenylpyraline hydrochloride Cl.CN3CCC(OC(c1ccccc1)c2ccccc2)CC3 Tox21_110419_1 -NCGC00016637-10 196698174 tox21-ror-cho-viability-p1 set1 4 -4.25166726 -1.50148473 -2.42121158 -0.32799639 -1.16778542 -2.65731871 -3.83261444 -2.1589645 1.0214953 -1.60044261 -1.2335917 -0.31652516 -0.47907469 -0.31136826 -2.86727789 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3736-81-0 19529 170466783 A Diloxanide furoate ClC(Cl)C(=O)N(C)c1ccc(cc1)OC(=O)c2ccco2 Tox21_113492_1 -NCGC00256404-01 196726498 tox21-ror-cho-viability-p1 set3 4 0.84340314 2.13311939 -2.57063938 -0.69000168 2.38413606 -1.77155404 2.39223754 -0.53591814 -0.80272173 -3.43601156 0 -0.27582488 -0.18676295 2.5500708 2.4472761 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 73-31-4 896 144213243 A A Melatonin CC(=O)NCCc2cnc1ccc(cc12)OC Tox21_302926 -NCGC00095150-08 196726081 tox21-ror-cho-viability-p1 set3 4 33.4914596268 15.21980034 -1.21980034 14 4.9549173134 0.6905967492 0.042929696 4.15804136 0.06084824 -0.89280817 -3.78001147 -0.10720248 -0.89003388 -0.21341536 -4.17163612 -0.58809813 -1.84438987 -0.79107463 0.40868171 -5.18316695 0.05394218 11.69413582 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 144701-48-4 65999 170464873 A Telmisartan O=C(O)c1ccccc1c2ccc(cc2)Cn3c4cc(cc(C)c4nc3CCC)c6nc5ccccc5n6C Tox21_111452_1 -NCGC00159551-02 196726087 tox21-ror-cho-viability-p1 set3 4 11.8832183006 -20.9880667799 -2 -22.9880667799 4.9549173134 0.6736249384 0.0508643767 -1.61924393 -3.73884669 -7.73734 -6.733141 -8.50808132 4.71967703 3.58725792 -10.70122669 0.3988042 -1.92818831 3.89203427 4.57590411 -7.28849548 -21.73179745 -22.49005565 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103420-77-5 443375 170466556 A Devazepide O=C(N[C@H]2N=C(c1ccccc1N(C)C2=O)c3ccccc3)c4cc5ccccc5n4 Tox21_111744_1 -NCGC00257340-01 196726492 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -108.1537678674 4.422116289 -103.7316515784 4.9549173134 0.9776549524 9E-8 -1.75035181 0.34299411 5.14285937 3.04182291 3.22333049 2.0136995 7.07183542 5.91257645 7.22299814 4.84058833 3.60284839 4.0876962 1.82977315 5.00698834 -84.33467608 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107071-66-9 129491 144213881 A A Ro 23-7637 O=C(CCCCCCCCc1cccnc1)N4CCC(\C=C(/c2ccccc2)c3ccccc3)CC4 Tox21_303576 -NCGC00256773-01 196726504 tox21-ror-cho-viability-p1 set3 4 1.20667087 -3.79032612 1.11009584 -1.15852031 1.33954834 2.24512477 1.68047046 3.53497197 3.72082929 5.19385747 5.24307613 2.28415161 4.18071416 4.65792638 5.69426824 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2785-87-7 17739 144213039 A F 2-Methoxy-4-propylphenol Oc1ccc(cc1OC)CCC Tox21_302722 -NCGC00255219-01 196729077 tox21-ror-cho-viability-p1 set3 -3 62.4149152869 -118.0125861648 15.0978681183 -102.9147180465 4.9549173134 0.5265592877 0.1545588903 0.77238316 0.32455137 0.01266101 2.32151615 -1.2796161 2.1260518 -1.3061188 -0.49939081 0.02678113 13.49818998 56.79520476 57.20997093 54.56267438 24.98542595 -80.0433756 9.9099999999E-10 2.2159999999E-9 4.955E-9 1.1079999999E-8 2.477E-8 5.5399999999E-8 1.239E-7 2.77E-7 6.194E-7 0.0000013849999999 0.0000030969999999 0.000006925 0.00001548 0.00003462 0.00007742 50-41-9 60974 144212192 A I Clomiphene citrate (1:1) O=C(O)C(O)(CC(=O)O)CC(=O)O.CCN(CCOc1ccc(cc1)C(c2ccccc2)=C(Cl)c3ccccc3)CC Tox21_301875 -NCGC00256262-01 196728676 tox21-ror-cho-viability-p1 set3 4 6.1130564862 14.816329636 -2.816329636 12 4.9549173134 0.5140276226 0.1823027496 1.39578692 -7.78289245 -1.28731981 9.18177584 -4.21363304 7.00935604 -4.93526192 -10.26360803 -3.42074179 -9.61469532 -7.31928344 11.56696782 12.23239205 10.30846049 3.99981384 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-19-5 67329 144211619 A A Bis(2-butoxyethyl) decanedioate O=C(OCCOCCCC)CCCCCCCCC(=O)OCCOCCCC Tox21_301302 -NCGC00255783-01 196729073 tox21-ror-cho-viability-p1 set3 4 0 2.30645144 -1.07562931 2.98888664 5.3145515 -1.54495062 4.33809841 1.41513662 5.25973592 3.66663494 -2.27894951 2.97963541 -1.7840146 0.20946346 2.68247329 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.00009175 35948-25-5 6328250 144211820 D F 6H-Dibenzo[c,e][1,2]oxaphosphinine 6-oxide O=P2Oc3ccccc3c1ccccc12 Tox21_301503 -NCGC00255278-01 196729076 tox21-ror-cho-viability-p1 set3 4 3.40501239 -2.35122633 -5.84976497 7.09261621 2.58296853 1.04371549 11.64369982 3.03335732 -4.44421764 1.32642223 4.60002309 3.5734691 9.0551773 4.48592678 3.26349534 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76-39-1 6442 144212228 A A 2-Methyl-2-nitro-1-propanol [O-][N+](=O)C(C)(C)CO Tox21_301911 -NCGC00256212-01 196729082 tox21-ror-cho-viability-p1 set3 4 3.17193019 -2.40057399 -2.94589696 -8.37884889 -2.08967799 -4.22758611 -10.98156019 15.38201216 -1.69380599 -8.38727462 15.83016141 -8.20085606 -7.69386233 5.10691627 4.79999552 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 998-40-3 13831 144211917 F B Tributylphosphine CCCCP(CCCC)CCCC Tox21_301600 -NCGC00091663-03 196729485 tox21-ror-cho-viability-p1 set3 4 30.6378586933 -8.917429244 -1 -9.917429244 4.9549173134 0.6057139031 0.0939503381 0.34617023 -1.24340761 0.51413196 -0.97597622 -1.42540424 0.36931703 -2.01256054 -0.19036547 -0.94458137 -0.39635653 -7.64322933 0 2.59774417 -9.51452437 -8.88301486 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00257687-01 196729493 tox21-ror-cho-viability-p1 set3 4 -0.38493665 0.63821388 1.06469751 0.42236489 -0.20300704 2.16758635 -0.53034879 0.71079298 2.36063295 0.90271704 2.07009037 0.60882203 -1.61203159 -0.02747595 0.47643626 1.194E-9 2.67E-9 5.9709999999E-9 1.335E-8 2.986E-8 6.676E-8 1.493E-7 3.338E-7 7.464E-7 0.000001669 0.000003732 0.000008345 0.00001866 0.00004172 0.000093299999999 628-36-4 12342 144207331 1,2-Diformylhydrazine O=CNNC=O Tox21_200133 -NCGC00255510-01 196710477 tox21-ror-cho-viability-p1 set2 4 -7.5177125 1.31707696 1.4801993 -3.79348975 -0.03139438 -6.94178489 0.29783672 -4.09409288 0.75678271 -4.49985156 1.27465605 -0.70108625 0.27849509 0.12550843 4.47846696 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 142-87-0 23665771 144212399 Ac Sodium decyl sulfate [Na+].[O-]S(=O)(=O)OCCCCCCCCCC Tox21_302082 -NCGC00256280-01 196710061 tox21-ror-cho-viability-p1 set2 4 4.00843736 -0.63523776 -0.0265933 -0.61555226 -2.78633982 -2.45353763 -2.72160756 -0.90665394 -3.85284349 -0.34193176 0.17854111 2.17334358 3.22311383 4.02070926 6.08337322 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5117-12-4 98723 144211975 A A 1-(Morpholin-4-yl)prop-2-en-1-one O=C(C=C)N1CCOCC1 Tox21_301658 -NCGC00255233-01 196710474 tox21-ror-cho-viability-p1 set2 4 0.62802144 -0.43500614 -4.72127819 -0.50272538 -1.08974527 1.09158424 0.53990539 0.54237195 0.98294158 0.20087348 -0.55835137 -0.46037279 1.60944018 0.21653384 2.54721342 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 155141-29-0 5281055 144212684 A A Rosiglitazone maleate O=C(O)/C=C\C(=O)O.CN(CCOc2ccc(CC1SC(=O)NC1=O)cc2)c3ccccn3 Tox21_302367 -NCGC00255767-01 196710485 tox21-ror-cho-viability-p1 set2 4 -5.81066387 -3.34487358 -0.11119681 -2.67191674 0.39007679 -0.49704216 -2.18637513 -0.07531528 -0.65654629 -1.61913177 -0.77237463 2.43630342 -0.6537436 1.31551525 -2.08325611 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-92-1 7268 144212426 Ac Diethyl oxalate CCOC(=O)C(=O)OCC Tox21_302109 -NCGC00255316-01 196710487 tox21-ror-cho-viability-p1 set2 4 0.0013685429 -9.606580764 11 1.393419236 4.9549173134 0.5878427155 0.109341636 8.24781183 1.09099198 -0.67665195 1.20351527 2.4675238 3.48820142 -0.48831725 1.05760467 2.96887666 -0.23635969 1.86593479 1.92282704 0.92174105 -1.75548397 2.99979558 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24526-64-5 4528 144212072 A A Nomifensine Nc3cccc1c3CN(C)CC1c2ccccc2 Tox21_301755 -NCGC00255463-01 196710498 tox21-ror-cho-viability-p1 set2 4 2.3754722013 10.957417528 -7.957417528 3 0.4999999999 0.7488575318 0.0202121645 -7.06701165 -10.79784794 -8.40236077 -5.18665474 -5.18582162 -9.42924277 -5.40791074 -4.72351269 -5.27687152 -6.52653823 -4.65768143 -0.66316588 -2.17409329 1.25808231 0.08802201 3.657E-10 8.178E-10 1.8289999999E-9 4.0889999999E-9 9.143E-9 2.044E-8 4.571E-8 1.0219999999E-7 2.286E-7 5.111E-7 0.000001143 0.0000025559999999 0.000005714 0.00001278 0.00002857 15707-24-1 27458 144212137 A F 2,3-Diethylpyrazine CCc1nccnc1CC Tox21_301820 -NCGC00255454-01 196710891 tox21-ror-cho-viability-p1 set2 4 -1.50043214 -5.96358906 -0.61235799 -0.98383116 -1.58144101 0.46283871 -3.80127321 0.24874942 -2.93123532 -0.99431413 0.68131783 0.21809418 -2.11659835 -5.0283294 -5.45028905 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24017-47-8 32184 144211895 A A Triazophos CCOP(=S)(OCC)Oc1ncn(n1)c2ccccc2 Tox21_301578 -NCGC00357236-01 196724635 tox21-ror-cho-viability-p1 set3 4 0.0216899429 5.954768648 -3.954768648 2 4.9549173134 0.5263758597 0.1570936235 -5.37834172 -1.02343867 -3.09037002 -5.79564054 2.90230229 1.66496209 0.59484379 6.33879363 1.83558033 0.95614884 6.05301567 0.36772066 -0.82089586 1.51156186 -1.2557569 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 551-93-9 11086 251919909 A 2'-Aminoacetophenone O=C(C)c1ccccc1N Tox21_304027 -NCGC00260329-01 196724204 tox21-ror-cho-viability-p1 set3 -1.2 0.1692740692 -40.7759700344 1.8938388024 -38.882131232 3.5117481694 0.9640216357 0.000001354 1.29912988 5.59126426 3.94585467 -0.5143127 -4.66168167 7.45433725 0.65861518 -0.99702961 -24.46542626 -34.83340294 -40.81493594 -33.04666022 -44.6688867 -41.61078831 -34.60679749 3.035E-10 6.786E-10 1.5169999999E-9 3.393E-9 7.587E-9 1.697E-8 3.794E-8 8.483E-8 1.897E-7 4.2409999999E-7 9.484E-7 0.000002121 0.000004742 0.000010599999999 0.000023709999999 971-15-3 70414 144209981 F Bis(1-piperidinylthioxomethyl)hexasulfide S=C(SSSSSSC(=S)N1CCCCC1)N2CCCCC2 Tox21_202783 -NCGC00357232-01 196724217 tox21-ror-cho-viability-p1 set3 4 0.0172289341 9.6230564319 -6.1230564319 3.5 3.6772481694 0.749621121 0.0197639387 -7.18588036 -6.89471821 -3.7100988 -3.82324165 1.89018498 5.85295268 3.12752924 7.95492509 4.17413984 -1.12645582 5.52393412 2.03090888 2.5382173 -0.16277509 4.70926599 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 623-33-6 2723640 251919926 A Ethyl glycinate hydrochloride Cl.NCC(=O)OCC Tox21_304019 -NCGC00260418-01 196724618 tox21-ror-cho-viability-p1 set3 4 5.72656566 2.30236133 6.9864517 5.89407983 9.20991857 6.75373219 5.13609653 0.61799626 -1.87904883 -2.15207531 1.56859098 4.67145244 7.86256191 7.75980211 -1.28667571 1.182E-9 2.6429999999E-9 5.91E-9 1.322E-8 2.955E-8 6.608E-8 1.4779999999E-7 3.304E-7 7.388E-7 0.0000016519999999 0.0000036939999999 0.0000082599999999 0.000018469999999 0.000041299999999 0.00009235 797-63-7 13109 144210070 A A Norgestrel O=C4CC[C@H]3C(CC[C@@H]2[C@@H]3CC[C@@]1(CC)[C@H]2CC[C@@]1(O)C#C)=C4 Tox21_202872 -NCGC00164499-03 196725056 tox21-ror-cho-viability-p1 set3 4 -7.85847983 0 1.02265664 2.37506874 2.14523349 -2.27360764 -3.33603871 -2.93893759 -7.06593146 0.88804204 1.96906954 1.47475282 -4.14423732 2.08350599 1.44299092 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 43119-47-7 27990 170465780 F DL-alpha Tocopheryl nicotinate CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc3c(O1)c(C)c(C)c(OC(=O)c2cccnc2)c3C Tox21_112137_1 -NCGC00018098-07 196725057 tox21-ror-cho-viability-p1 set3 4 0.1059092946 -6.18513598 1.5 -4.68513598 1.6604358099 0.5152035152 0.1661490191 1.31142927 -1.77310733 9.08899469 -1.61415831 1.13201263 -0.1575296 -1.21783535 -0.59899735 -5.70591479 -8.07094665 -3.19573667 -1.91308187 -4.50422104 -3.8318204 -6.63908827 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83-73-8 3728 170465640 Ac Iodoquinol Oc1c(I)cc(I)c2cccnc12 Tox21_110823_1 -NCGC00160402-02 196704913 tox21-ror-cho-viability-p1 set1 4 -2.48235474 0.21203815 -1.41594511 -2.83628452 -0.37798416 -0.08289568 0.04775903 0.28517362 -0.54895061 -2.95444881 -1.60158752 0.06998874 2.72843119 -5.19789568 1.46030753 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 577-91-3 11350 170466600 A Iodoalphionic acid Ic2cc(CC(c1ccccc1)C(=O)O)cc(I)c2O Tox21_111790_1 -NCGC00164077-02 196704503 tox21-ror-cho-viability-p1 set1 4 -0.03828879 -0.22043776 -2.79168916 0.8883585 0.31804139 1.45575136 -2.93280993 -2.36436358 1.3406648 -0.15630933 -3.41501698 0.93122805 0.78204235 0.28677232 -2.66941183 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00015385-18 196704514 tox21-ror-cho-viability-p1 set1 4 6.6824247267 -15.094159272 -1.5 -16.594159272 1.0999999999 0.8826027869 0.0007173358 -1.7499427 -0.98631764 -3.49581744 0.42237762 -0.61690456 1.23146083 -2.3104958 -2.57899364 -2.58300165 -5.17388057 -0.48875066 -7.72353388 -11.70725476 -12.28808992 -15.07846606 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-32-2 3108 170464694 A Dipyridamole OCCN(CCO)c2nc1c(nc(nc1c(n2)N3CCCCC3)N(CCO)CCO)N4CCCCC4 Tox21_110133_1 -NCGC00164547-06 196704517 tox21-ror-cho-viability-p1 set1 4 2.15738918 0.13721976 -0.20605869 -1.76665931 -6.39764618 0.55180918 1.92165368 -0.41640102 -0.1728115 -0.05176196 -1.99842636 -18.58426367 -0.43734377 -0.4720454 0.41051749 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 107753-78-6 5717 170464673 A Zafirlukast Cc1ccccc1S(=O)(=O)NC(=O)c5ccc(Cc3cn(C)c2ccc(cc23)NC(=O)OC4CCCC4)c(OC)c5 Tox21_112176_1 -NCGC00163903-03 196701631 tox21-ror-cho-viability-p1 set1 4 -8.06527922 -0.38748167 -0.34231271 -5.61105739 -16.475093 -8.63732509 -2.14689979 -5.51924952 -1.05794729 -13.28592752 -9.57806438 -12.70361295 -10.2016185 -13.24087129 -5.01560424 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00255517-01 196701199 tox21-ror-cho-viability-p1 set1 4 0.1087072248 -3.9507797599 1 -2.9507797599 4.9549173134 0.4272913799 0.2488006219 -0.5420567 0.70791264 -1.89764672 5.64714906 2.09182583 0.43825159 -2.09017277 -4.90015023 -1.66567396 -3.82645275 -3.91583847 -1.28478388 -0.31582595 -0.61696954 -7.8756498 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63133-82-4 113033 144212313 A F 2-Chloro-4,6-dimethylaniline Cc1cc(C)cc(Cl)c1N Tox21_301996 -NCGC00258619-01 196701614 tox21-ror-cho-viability-p1 set1 4 3.04327822 -2.08715953 3.96494157 9.52209906 0.16286314 4.4265695 7.47928164 5.02740551 10.22771224 2.3793353 1.2609169 1.50061788 0.18622347 2.43712672 6.25696367 1.167E-9 2.61E-9 5.836E-9 1.305E-8 2.918E-8 6.524E-8 1.459E-7 3.262E-7 7.294E-7 0.000001631 0.0000036469999999 0.0000081549999999 0.000018239999999 0.00004078 0.00009118 112-24-3 5565 144208264 Triethylenetetramine NCCNCCNCCN Tox21_201066 -NCGC00258166-01 196701625 tox21-ror-cho-viability-p1 set1 4 1.55219242 -0.02831581 2.34020479 7.98364436 1.37308577 -1.67755674 3.4837409 -2.57040957 5.67398365 1.14637546 1.87104995 6.11639709 -0.12481527 -4.36704931 6.12974722 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003707 0.0000082899999999 0.00001854 0.00004145 0.00009268 6220-15-1 2734172 144207810 A A 1-Hexylpyridinium chloride [Cl-].CCCCCC[n+]1ccccc1 Tox21_200612 -NCGC00258255-01 196702038 tox21-ror-cho-viability-p1 set1 4 -13.38611401 -6.52172259 -7.71523993 -7.00938241 -11.84448169 -4.27472268 -17.33850892 -8.22376806 -2.24199546 -9.20451217 -10.49085063 -8.80052346 -12.46634713 -3.56091281 -8.43763066 1.177E-9 2.6319999999E-9 5.886E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.000003679 0.000008225 0.00001839 0.00004113 0.00009196 3115-68-2 76564 144207899 A A Tetrabutylphosphonium bromide [Br-].CCCC[P+](CCCC)(CCCC)CCCC Tox21_200701 -NCGC00257685-01 196702039 tox21-ror-cho-viability-p1 set1 4 0.91477284 -1.51079338 -1.66357309 5.66370121 2.04821921 8.61736512 -2.66016586 0.41250684 7.51623313 0.34147574 -6.48258488 -5.19120555 -0.02769201 0.07806605 2.71494678 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 22591-21-5 31432 144207329 A A 1,1-Dichloro-3,3-dimethylbutan-2-one CC(C)(C)C(=O)C(Cl)Cl Tox21_200131 -NCGC00257651-01 196702047 tox21-ror-cho-viability-p1 set1 4 0.0860858467 -18.759745092 5 -13.759745092 0.2 0.4935152679 0.2021833465 3.37537187 -2.1415989 -2.53573151 -4.21946195 -5.94450067 -6.94342638 -7.26193913 0.40293649 -6.246199 -6.56373462 -8.33549537 -2.94836699 -10.42384887 -13.13312091 4.3421626 1.177E-9 2.6319999999E-9 5.8849999999E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.0000036779999999 0.000008225 0.00001839 0.00004113 0.00009196 6881-94-3 81313 144207295 A A 2-(2-Propoxyethoxy)ethanol CCCOCCOCCO Tox21_200097 -NCGC00257844-01 196702442 tox21-ror-cho-viability-p1 set1 -2.1 68.3804186691 -78.9152305741 -1.0051713719 -79.920401946 3.6772481694 0.9615820578 0.0000019567 -5.14910038 4.50595467 -0.92602171 -0.43312342 0.0334644 -0.46567749 -0.18349233 -4.28692683 -1.8846381 2.92192085 1.09656239 -7.21734083 -4.95632994 -10.78061798 -60.54575905 1.177E-9 2.6319999999E-9 5.884E-9 1.316E-8 2.942E-8 6.579E-8 1.471E-7 3.29E-7 7.356E-7 0.000001645 0.0000036779999999 0.000008224 0.00001839 0.000041119999999 0.000091939999999 12789-03-6 5993 144207488 FC Technical chlordane ClC2=C(Cl)C3(Cl)C1CC(Cl)C(Cl)C1C2(Cl)C3(Cl)Cl Tox21_200290 -NCGC00258452-01 196702448 tox21-ror-cho-viability-p1 set1 4 13.3798200134 -13.962491728 -0.5 -14.462491728 2.2526478767 0.7316114105 0.0255647642 -4.8845195 0.47810953 -4.08542866 6.09003995 0.28959428 1.94137828 0.18642777 -3.24302642 -4.11691327 1.12936555 1.80249667 -4.13537832 -10.09746844 -15.80207644 -11.72167961 1.158E-9 2.589E-9 5.789E-9 1.2939999999E-8 2.894E-8 6.472E-8 1.447E-7 3.2359999999E-7 7.2359999999E-7 0.000001618 0.000003618 0.0000080899999999 0.000018089999999 0.00004045 0.00009045 109-57-9 1549517 144208096 A D Allylthiourea NC(=S)NCC=C Tox21_200898 -NCGC00258150-01 196729904 tox21-ror-cho-viability-p1 set3 -2.2 68.5896218971 -69.8662057746 -4.820694671 -74.6869004456 3.9899729863 0.9734436318 2.426E-7 -3.61028217 -2.37256923 -4.99129953 -5.5091738 -7.07020992 -1.74577583 -8.68099821 -4.20628656 -5.7661075 -0.43018383 -2.96562303 -8.05213829 -6.49169543 -12.6178221 -58.47492458 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 219947-93-0 10250129 144207794 A A 1-Dodecyl-3-methylimidazolium hexafluorophosphate F[P-](F)(F)(F)(F)F.C[n+]1ccn(CCCCCCCCCCCC)c1 Tox21_200596 -NCGC00091532-04 196729488 tox21-ror-cho-viability-p1 set3 -2.2 49.1509036116 -48.0832895367 1 -47.0832895367 1.55794881 0.960330176 0.000002345 0.48828153 0.44883991 3.90623781 0.00783001 -0.55114727 2.56508402 1.28404767 0.49965679 3.20959598 -1.49553333 0.47701787 0.22602534 -12.06051077 -16.79262208 -35.66915874 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00257821-01 196729487 tox21-ror-cho-viability-p1 set3 4 -2.26047209 -1.51723065 -1.4040496 -10.59174752 -8.90527283 -2.42976766 -11.79291592 -10.45665113 -23.18147446 0 0 0 -1.68653023 1.432777 -1.35865798 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.000018359999999 0.000041049999999 0.000091779999999 100-75-4 7526 144207465 A F N-Nitrosopiperidine O=NN1CCCCC1 Tox21_200267 -NCGC00257874-01 196729903 tox21-ror-cho-viability-p1 set3 4 0.89827357 -2.21696449 -3.77767876 -3.04968991 -1.70274244 -0.29835495 -9.07663027 -2.40036419 -1.58827045 0 0 -0.74787603 0.44584144 -3.71368708 -2.80338996 1.162E-9 2.598E-9 5.808E-9 1.299E-8 2.9039999999E-8 6.494E-8 1.4519999999E-7 3.247E-7 7.2599999999E-7 0.000001623 0.0000036299999999 0.000008117 0.000018149999999 0.00004059 0.00009076 50-30-6 5758 144207518 Z Z 2,6-Dichlorobenzoic acid OC(=O)c1c(Cl)cccc1Cl Tox21_200320 -NCGC00257671-01 196729906 tox21-ror-cho-viability-p1 set3 4 67.8230651971 -14.380713108 1 -13.380713108 4.9549173134 0.6409339842 0.0704431854 0.09999827 0.53929288 0.59055898 0.04920969 -4.754616 -0.94678451 0.15210541 0.72135209 5.20670486 2.39723388 3.53570756 1.18168893 0.67479895 1.43118908 -10.73392759 1.1689999999E-9 2.615E-9 5.8469999999E-9 1.3069999999E-8 2.9229999999E-8 6.537E-8 1.462E-7 3.268E-7 7.308E-7 0.0000016339999999 0.0000036539999999 0.0000081709999999 0.00001827 0.00004086 0.000091349999999 2198-59-6 75146 144207315 A D N-Phenyl-1,4-benzenediamine hydrochloride Cl.Nc2ccc(Nc1ccccc1)cc2 Tox21_200117 -NCGC00258479-01 196729911 tox21-ror-cho-viability-p1 set3 4 3.43797243 -6.07748834 0.5064114 1.16713443 1.57232643 0.64542141 0.47231497 3.32330979 -7.63580709 -9.83735064 -1.3452102 -2.08640782 -2.94438102 0.34534536 2.64530615 1.185E-9 2.649E-9 5.923E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 103-84-4 904 144208123 A A Acetanilide O=C(C)Nc1ccccc1 Tox21_200925 -NCGC00258148-01 196729917 tox21-ror-cho-viability-p1 set3 -2.1 48.9530469877 -120.4679244399 2.510035053 -117.9578893869 1.692447691 0.9806545342 3.92E-8 4.14723292 9.71777685 4.94425022 4.46653947 3.89492469 -0.43430361 3.35070733 1.59452579 0.67897816 -1.64835071 -5.52412731 -4.28554059 -18.63775518 -43.39561129 -90.18187262 1.188E-9 2.6549999999E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 404001-48-5 53316407 144207792 A A 1-Dodecyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C[n+]1ccn(CCCCCCCCCCCC)c1 Tox21_200594 -NCGC00258558-01 196729918 tox21-ror-cho-viability-p1 set3 -1.1 19.2132890434 -79.8741864341 2.7782724799 -77.0959139542 4.4494702849 0.9928167678 1E-10 3.37802882 2.19042892 2.21387003 0.29059238 4.19111746 -0.11921219 4.40156086 2.39358828 8.47322237 0.09341112 4.71350419 1.64738982 -35.88146638 -75.96132803 -74.53425882 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.00009175 116-31-4 638015 144208203 A A Retinal CC=1CCCC(C)(C)C=1/C=CC(\C)=C\C=C\C(\C)=C\C=O Tox21_201005 -NCGC00257975-01 196729923 tox21-ror-cho-viability-p1 set3 4 -0.22254064 0.90000124 -0.89057834 0.96987131 0.97583676 -0.58960666 0.64926327 0 2.87213305 0.89733539 -0.21483955 0.9966917 3.01798192 0.50170735 0.140945 1.187E-9 2.654E-9 5.9329999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.4829999999E-7 3.317E-7 7.417E-7 0.0000016579999999 0.000003708 0.000008292 0.00001854 0.00004146 0.000092709999999 29964-84-9 34763 144207619 B Fns Isodecyl methacrylate C=C(C)C(=O)OCCCCCCCC(C)C Tox21_200421 -NCGC00258577-01 196729925 tox21-ror-cho-viability-p1 set3 4 0.46891611 -2.37536571 -2.47317361 -2.15936262 0 -7.62055863 2.13477459 1.04643035 -2.18096026 1.45376078 -1.77908601 -0.35213247 0.26548036 -0.1521669 0.17737141 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.9409999999E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.0000411 0.00009189 370865-89-7 11159638 144208222 A A 1-Ethyl-3-methylimidazolium dicyanamide C[n+]1ccn(CC)c1.N#C\N=C=[N-] Tox21_201024 -NCGC00255701-01 196710908 tox21-ror-cho-viability-p1 set2 -2.4 54.4826732819 -29.281144212 -0.5 -29.781144212 2.7867712143 0.8710991527 0.0011159331 0.87089281 5.09406253 0.62523382 3.35069291 0.11129714 -1.33932463 -1.94636581 -2.78527311 -3.03667866 -2.32619598 -4.64892224 -1.01549829 -1.03237375 -9.70868761 -24.40095351 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 882-09-7 2797 144211997 A A Clofibric acid Clc1ccc(OC(C)(C)C(=O)O)cc1 Tox21_301680 -NCGC00260208-01 196711310 tox21-ror-cho-viability-p1 set2 -3 67.8230651971 -103.2923249199 5.5730908815 -97.7192340384 4.9549173134 0.9709792863 4.018E-7 3.258872 2.87529944 4.41061723 9.79275853 -0.20141383 6.95664854 8.90101801 9.64833607 9.73075888 8.21295504 4.64123353 -0.0681288 -0.83308508 -0.03867532 -78.74542384 1.1689999999E-9 2.615E-9 5.8469999999E-9 1.3069999999E-8 2.9239999999E-8 6.537E-8 1.462E-7 3.269E-7 7.309E-7 0.0000016339999999 0.0000036539999999 0.0000081709999999 0.00001827 0.00004086 0.000091359999999 171058-21-2 2734229 144209858 A A 1-Methyl-3-tetradecylimidazolium chloride [Cl-].C[n+]1ccn(CCCCCCCCCCCCCC)c1 Tox21_202660 -NCGC00255468-01 196710899 tox21-ror-cho-viability-p1 set2 4 -3.72799551 -5.9418033 -1.74801314 -0.22970705 -10.06437428 -8.16318723 -4.38807108 -5.78111824 -0.40567846 -2.00620747 -9.92669867 -3.07535486 1.50476514 -1.40945479 0.21932985 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-00-9 1066 144212368 A A 2,3-Pyridinedicarboxylic acid OC(=O)c1ncccc1C(=O)O Tox21_302051 -NCGC00256117-01 196710906 tox21-ror-cho-viability-p1 set2 4 -3.88533604 0.33417399 -0.21790153 -0.02587949 -0.05568856 0.34100106 0.06819561 -4.17604105 -0.41102844 -5.32976987 -9.57321609 -3.95215713 -8.82179612 -6.61905895 -0.13401384 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 312693-54-2 60196419 144211730 B Fns Monosodium 8-amino-1-naphthol-3,6-disulfonate monohydrate [Na+].O.[O-]S(=O)(=O)c2cc1cc(cc(O)c1c(N)c2)S(=O)(=O)O Tox21_301413 -NCGC00260638-01 196711315 tox21-ror-cho-viability-p1 set2 4 0.0298492948 -9.0206514359 -0.5 -9.5206514359 3.0654483358 0.4980405088 0.1803679087 -1.09448572 0.83080064 -2.19516238 -0.73324039 -1.02407053 -5.92804558 -8.13892017 -11.43220295 -13.47736169 -0.59261265 -11.25666956 -14.14940064 -16.26720953 -0.8575678 -10.34182282 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49534 144210291 M M NTP Mix114 ER1 10-EQC Tox21_203093 -NCGC00357144-01 196711727 tox21-ror-cho-viability-p1 set2 4 6.44510535 -3.06394921 5.99775463 -3.23797459 -2.11110684 -2.8635093 -0.53257245 3.96950741 -1.71926854 5.15901456 0.77264317 -3.53468338 1.24791028 2.06070808 -1.08123713 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-02-2 7363 251919978 F 2-Furylmethanethiol SCc1ccco1 Tox21_303886 -NCGC00357212-01 196711734 tox21-ror-cho-viability-p1 set2 4 6.8589621897 17.5 1.5 19 0.3 0.8772584893 0.0008968635 2.99979312 4.40591674 0.95039498 3.31621471 4.84350027 4.57109627 7.49297587 7.44094146 7.55714211 7.85509995 7.59860985 8.07589893 12.13248809 14.51205212 13.77114357 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-72-2 8488 251919857 A N,N,3-Trimethylaniline Cc1cc(ccc1)N(C)C Tox21_303992 -NCGC00357067-01 196711742 tox21-ror-cho-viability-p1 set2 4 -14.11908955 -20.77413807 -8.98870017 -6.35688159 -6.7839941 -9.19201752 -9.85726376 -19.2469673 0 0 0.18215846 -18.61284879 0 -16.10287068 -17.0446721 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 873-32-5 13391 251919961 A 2-Chlorobenzonitrile N#Cc1ccccc1Cl Tox21_303775 -NCGC00357016-01 196711745 tox21-ror-cho-viability-p1 set2 -2.1 48.5577336745 -86.834504379 -2.9208558069 -89.7553601859 2.3331733767 0.9573598905 0.0000034946 -0.91373 -10.72127612 -2.20896333 -0.9153961 0.15146702 -0.76111113 -2.34290109 -5.55592828 -0.32430377 -4.95476966 -13.51072593 0 -7.67198604 -38.17961756 -74.05709105 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-16-3 8166 251919787 F Dodecanoyl chloride ClC(=O)CCCCCCCCCCC Tox21_303812 -NCGC00260242-01 196711746 tox21-ror-cho-viability-p1 set2 4 3.62376462 0.66912597 0.55074532 3.21506658 5.00180752 3.13907802 4.91508529 9.6057306 9.17494639 3.36076477 5.65079532 5.30866757 7.84102681 9.32193158 5.10782051 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.000003681 0.00000823 0.000018399999999 0.00004115 0.00009201 390423-43-5 2734248 144209892 A A 1-Butylpyridinium trifluoromethanesulfonate FC(F)(F)S([O-])(=O)=O.CCCC[n+]1ccccc1 Tox21_202694 -NCGC00260470-01 196712142 tox21-ror-cho-viability-p1 set2 3 69.9170377344 108.2879725113 0.6050574409 108.8930299522 4.9549173134 0.9692608166 5.57E-7 -2.20002703 1.68336285 4.46238094 -0.24512469 1.13879185 3.2973791 2.56469323 6.37744378 2.65770398 -3.42663701 -0.98435127 0.10355059 3.44758561 -2.67998335 89.40314446 1.1989999999E-9 2.6809999999E-9 5.995E-9 1.3409999999E-8 2.998E-8 6.703E-8 1.4989999999E-7 3.351E-7 7.494E-7 0.000001676 0.000003747 0.000008378 0.00001873 0.00004189 0.00009367 533-75-5 10789 144210122 Ac Ac Tropolone OC1=CC=CC=CC1=O Tox21_202924 -NCGC00091886-04 196712557 tox21-ror-cho-viability-p1 set2 4 -0.32766784 -0.53231487 -0.99841646 -1.06700457 -1.03369841 -0.46386861 -0.49236158 0.47951647 0.15796971 -1.4217368 -1.74558128 -2.54829802 1.46694328 0.06396412 6.02625664 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3734-33-6 19518 170464678 F Denatonium benzoate O=C(Nc1c(C)cccc1C)C[N+](Cc2ccccc2)(CC)CC.[O-]C(=O)c1ccccc1 Tox21_110754_1 -NCGC00249908-01 196712561 tox21-ror-cho-viability-p1 set2 4 18.8336317891 18.114394664 0.885605336 19 2.2526478767 0.9014164012 0.00030345 0.92333791 0.21618277 1.14970448 -0.72843395 2.24666419 -0.30360303 0.13147581 3.09902437 -0.92866222 1.80619682 2.74408277 0.53633053 1.1584609 13.40654331 15.98210513 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17243-57-1 21777 170465601 Ac F Mefenorex CC(NCCCCl)Cc1ccccc1 Tox21_113684 -NCGC00015754-16 196705335 tox21-ror-cho-viability-p1 set1 4 21.1316824289 -17.71062998 -2 -19.71062998 0.8999999999 0.5147630326 0.1658026182 0.87514728 -4.15094994 1.00011416 -0.84234136 -0.67241819 -3.64787112 -10.49301374 -0.08489212 -5.40373018 0.33480582 -7.94154465 0.39836238 -11.07530507 -8.95108645 -15.59219165 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63612-50-0 4493 170465021 A Nilutamide FC(F)(F)c1cc(ccc1[N+]([O-])=O)N2C(=O)C(C)(C)NC2=O Tox21_110213_1 -NCGC00253630-01 196705343 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -19.52214552 1 -18.52214552 4.9549173134 0.907262883 0.0002236536 0.74925639 1.26440375 -1.50561161 1.94860611 0.70130519 0.69160093 1.25727829 3.2057018 -1.55515591 1.34424815 2.17995101 0.73375825 -0.60454883 1.21210161 -16.2684546 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 494-19-9 10308 170466725 A A 10,11-Dihydro-5H-dibenz[b,f]azepine c1cc2Nc3ccccc3CCc2cc1 Tox21_113758 -NCGC00253734-01 196704922 tox21-ror-cho-viability-p1 set1 4 2.04334662 0.8794649 2.09468149 1.31803806 1.763037 2.63850141 3.12369067 -0.1803336 1.72010914 1.3108434 1.00283371 -1.50295366 0.51574248 -0.61756446 2.4887194 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 137215-12-4 216385 170466179 A A Odiparcil O[C@H]3[C@H](Oc1ccc2C(C)=CC(=O)Oc2c1)SC[C@@H](O)[C@@H]3O Tox21_113853 -NCGC00016991-05 196704924 tox21-ror-cho-viability-p1 set1 4 23.7101376556 7.1763555279 -1.1763555279 6 2.3531167061 0.3527236819 0.3224430829 0.28660861 0.96029096 -6.39696294 0.25698821 -0.46250675 -0.88060452 -1.62664615 0.47975395 -5.50349208 -0.07015885 0.43532522 0.71899364 -0.03001373 1.57599598 4.77638863 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5875-06-9 517321 170465400 A Proparacaine Cl.CCN(CC)CCOC(=O)c1ccc(OCCC)c(N)c1 Tox21_113547_1 -NCGC00024246-15 196705349 tox21-ror-cho-viability-p1 set1 -2.1 14.9600854925 -86.0333576089 -4.525022173 -90.5583797819 1.8851180601 0.9604115681 0.0000023114 0.34150129 0.16997099 -6.70605834 1.10238541 1.39987008 -5.84127175 -4.77277765 -11.17315462 -0.47883326 -10.17853049 -13.30820611 -17.01744648 -23.04122339 -62.31263774 -83.85035165 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 20830-81-3 30323 170465048 A Daunorubicin CC(=O)[C@@]4(O)C[C@H](O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1)c5c(O)c3C(=O)c2c(OC)cccc2C(=O)c3c(O)c5C4 Tox21_110896_1 -NCGC00091426-02 196705743 tox21-ror-cho-viability-p1 set1 4 27.3060203028 -11.3088205319 1 -10.3088205319 4.9549173134 0.6718755239 0.0632554882 2.95900475 3.44171904 0.93203594 -1.38300071 1.304329 1.33124391 2.20468994 4.94358599 1.48530445 -2.59514904 1.43859544 -1.29191115 -0.11545775 -9.42401711 -2.38619134 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00090776-02 196705744 tox21-ror-cho-viability-p1 set1 4 33.7479466355 19.219833812 -9.219833812 10 1.031 0.6511189619 0.0636299432 -9.63801597 -3.23164866 -8.26421266 -15.59986151 -11.0291131 -6.40771745 -8.20742027 -11.85286802 -9.55651289 -9.84866892 -1.99248987 -9.40960302 -0.74989478 -0.89179404 6.63878191 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00258923-01 196705751 tox21-ror-cho-viability-p1 set1 4 68.1016469048 -15.128605696 2 -13.128605696 4.9549173134 0.5484237434 0.1375862954 1.43266171 2.29125862 -0.67621864 -1.28745566 9.11435835 2.04331327 1.20954707 -0.47052046 8.45132444 2.28540079 0.02075231 1.06545226 2.42426536 1.5753814 -10.52383808 1.173E-9 2.624E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.000003667 0.0000081989999999 0.00001833 0.00004099 0.000091659999999 89-72-5 6984 144208570 A A 2-(Butan-2-yl)phenol Oc1ccccc1C(C)CC Tox21_201372 -NCGC00090701-06 196705758 tox21-ror-cho-viability-p1 set1 4 0.18860389 4.26083623 3.84644124 0.27604297 0.75591688 0.98940321 1.10416835 4.60180999 0.57836682 -5.8125843 -5.86321722 3.48569702 -0.09117159 2.71148993 -0.42212687 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00258813-01 196705760 tox21-ror-cho-viability-p1 set1 4 -5.11466958 -6.23652819 1.43718977 -0.21017328 -4.56807828 -4.42920267 2.0861382 -2.30719385 3.13251728 -3.1888353 0.0962208 -1.08503462 1.02584007 0.62913518 0.23691737 1.2009999999E-9 2.6849999999E-9 6.005E-9 1.3429999999E-8 3.002E-8 6.714E-8 1.501E-7 3.3569999999E-7 7.506E-7 0.0000016779999999 0.000003753 0.0000083919999999 0.00001876 0.00004196 0.000093819999999 61-76-7 5284443 144208459 A A Phenylephrine hydrochloride Cl.O[C@@H](CNC)c1cc(O)ccc1 Tox21_201261 -NCGC00258997-01 196705765 tox21-ror-cho-viability-p1 set1 4 0.20096713 1.06444423 -1.35650129 0.91668488 -1.73830012 0.65959556 -1.38260495 0.95741519 0.72095398 9.65942742 -0.29249172 -3.8576901 0.07852054 -1.32545875 0.61988977 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.00009231 919-30-2 13521 144208644 FNS 3-Aminopropyltriethoxysilane CCO[Si](OCC)(OCC)CCCN Tox21_201446 -NCGC00015060-14 196705766 tox21-ror-cho-viability-p1 set1 4 0.34973885 -1.35668893 2.34334122 -0.28489724 -1.56433878 -0.73491187 -6.78187042 -1.03192918 0.14709515 14.0335508 -0.1483934 0.45515341 -0.11928617 1.50778256 6.99834834 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00357142-01 196724439 tox21-ror-cho-viability-p1 set3 4 -2.34480092 4.44944525 2.14871176 1.95124839 -4.70862304 -4.2761277 1.06226961 1.94564025 -5.46851133 -1.5956662 -0.31617484 -2.52865727 -2.85342286 -1.32110771 0.24384474 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-91-2 6993580 251919965 A Diethyl L-tartrate O[C@H]([C@@H](O)C(=O)OCC)C(=O)OCC Tox21_303884 -NCGC00260431-01 196724455 tox21-ror-cho-viability-p1 set3 4 70.4071507237 -25.9409848759 4 -21.9409848759 3.2974983358 0.7521317134 0.0189351304 -1.87292539 1.18144679 2.26829065 6.03040741 5.31873821 2.14697726 5.45516393 7.56151365 4.85872752 6.76688237 5.97750412 7.58284763 -0.70622176 -0.09217593 -14.95082073 1.206E-9 2.697E-9 6.0299999999E-9 1.348E-8 3.0149999999E-8 6.7419999999E-8 1.5079999999E-7 3.371E-7 7.538E-7 0.000001685 0.000003769 0.0000084269999999 0.00001884 0.00004214 0.000094219999999 1504-74-1 641298 144210083 A A 2-Methoxycinnamaldehyde COc1ccccc1/C=C/C=O Tox21_202885 -NCGC00258202-01 196730339 tox21-ror-cho-viability-p1 set3 4 -5.76787085 -5.29795134 2.07429926 -5.55616146 2.91752563 0.50577805 -5.84544575 -5.44250805 -2.58694379 -5.58283213 -1.43414869 0 -2.13500634 2.48544989 -2.39748041 1.188E-9 2.657E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.641E-8 1.4849999999E-7 3.321E-7 7.425E-7 0.0000016599999999 0.000003713 0.000008302 0.00001856 0.000041509999999 0.00009282 331-39-5 2518 144207846 A A Caffeic acid Oc1ccc(C=CC(=O)O)cc1O Tox21_200648 -NCGC00185770-01 196713777 tox21-ror-cho-viability-p1 set2 4 -2.6450093 -0.00013489 -1.95667995 -2.74806685 -3.72016004 1.4458038 -3.10889884 -3.79204244 -3.3938616 0.40923506 1.09267023 -1.81245435 -3.90238702 0.11516824 -5.21126745 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 74135-10-7 60196368 144207173 Sucrose octasulfate, sodium salt [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)O[C@H]1[C@H](O[C@H](COS([O-])=O)[C@@H](OS([O-])=O)[C@@H]1OS([O-])=O)O[C@]2(COS([O-])=O)O[C@H](COS([O-])=O)[C@@H](OS([O-])=O)[C@@H]2OS([O-])=O Tox21_113624 -NCGC00091532-04 196713371 tox21-ror-cho-viability-p1 set2 -2.1 27.6395842712 -69.4476369179 2.4926818109 -66.954955107 1.98874246 0.9923256995 2E-10 1.2851773 3.27057194 4.03001908 4.50425093 4.28172914 2.92232248 0.97084475 1.82569679 0.31206167 0.38724059 1.40089985 -4.74486794 -20.17105102 -44.44414978 -65.64211285 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00179392-03 196713377 tox21-ror-cho-viability-p1 set2 4 -0.74723775 1.16983079 2.24759411 -0.32414691 2.80261521 -0.43850947 1.91023361 0.25865778 -0.14837792 -1.19443097 2.35740676 2.80271786 -1.09958876 0.57908282 -0.01707113 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4419-39-0 20469 170464981 F Beclomethasone OCC(=O)[C@@]4(O)[C@@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(Cl)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_112116_1 -NCGC00167429-04 196713380 tox21-ror-cho-viability-p1 set2 4 9.4391758155 12.4864753799 -0.4864753799 12 4.9549173134 0.9312342211 0.0001020724 0.26175277 -0.37872983 1.47644337 -1.65539615 -0.94237659 0.70516897 -0.78840903 -1.26341177 -0.60753644 0.67026609 -1.3836382 -1.2808842 5.48699575 11.44533965 1.31379319 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 85622-93-1 5394 170464968 A Temozolomide NC(=O)c1ncn2C(=O)N(C)N=Nc12 Tox21_112433_1 -NCGC00253766-01 196713779 tox21-ror-cho-viability-p1 set2 4 0.93979356 1.42784844 2.81317253 2.87126365 2.51438142 3.2364735 -0.65725787 -0.90502864 -1.43719168 0.46793483 2.90800637 2.2957648 0.79500712 3.00903656 0.98959742 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 774-40-3 13050 170466686 F A Ethyl mandelate OC(C(=O)OCC)c1ccccc1 Tox21_113879 -NCGC00016391-13 196713780 tox21-ror-cho-viability-p1 set2 4 0.118832183 -12.57114636 7 -5.57114636 0.5 0.4714216277 0.2046145324 4.29294817 8.70169318 5.45317663 6.57590999 0.70345195 -0.15373705 2.02446827 -2.23921085 3.96916883 2.88565344 -1.21305582 -11.7259553 -10.59443568 -4.99622837 2.73846097 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 130-26-7 2788 170465019 A Clioquinol Oc1c(I)cc(Cl)c2cccnc12 Tox21_110416_1 -NCGC00181770-02 196713784 tox21-ror-cho-viability-p1 set2 2.1 4.1078041289 81.1287822596 -0.696077098 80.4327051616 1.98874246 0.9930502898 6E-10 -0.80762972 -0.91988092 -3.61749641 -4.20966563 2.01421155 1.54652529 -0.68750305 -0.08260938 0.77967217 1.87957966 3.54584707 14.82927501 45.68484416 68.67990121 37.14256497 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 223652-90-2 157690 170465937 C Garenoxacin mesylate hydrate O.CS(=O)(=O)O.C[C@H]1NCc2cc(ccc12)c3ccc4c(c3OC(F)F)N(C=C(C4=O)C(=O)O)C5CC5 Tox21_112995_1 -NCGC00096077-06 196713787 tox21-ror-cho-viability-p1 set2 4 0.38256382 -1.80516096 -3.44119579 -5.18316317 -4.29921994 -1.35733465 -3.14935527 -1.40673195 -6.15786823 -0.85836618 -2.28648931 -0.56898272 -1.095406 -2.29035799 -0.10290322 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 132539-06-1 4585 170465009 A Olanzapine CN1CCN(CC1)C2=Nc4ccccc4Nc3sc(C)cc23 Tox21_111556_1 -NCGC00015442-15 196712580 tox21-ror-cho-viability-p1 set2 3 33.4914596268 51.2521828399 -7.5956074659 43.656575374 4.9549173134 0.642743003 0.0682508628 0.43115049 -0.67970849 -0.44631094 1.11464 -0.58240492 -0.80881908 -1.08325361 -6.33939506 -10.62156313 -16.2377598 -22.07207387 -22.67686053 -15.0807829 -3.83522446 35.78964015 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-21-8 3385 170464762 Z Fluorouracil FC1=CNC(=O)NC1=O Tox21_110150_1 -NCGC00024025-05 196712566 tox21-ror-cho-viability-p1 set2 4 0.48443542 2.03219531 0.58669703 0.28193656 0.7518977 -0.09963778 1.02338278 0.16702282 0.35009043 1.7345344 1.04267654 0.10950084 2.22972225 1.70849827 2.47425335 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 81-23-2 6674 170465502 A Dehydrocholic acid O=C(O)CC[C@@H](C)[C@H]4CC[C@@H]3[C@]4(C)C(=O)C[C@H]2[C@H]3C(=O)C[C@@H]1CC(=O)CC[C@@]12C Tox21_111519_1 -NCGC00018193-11 196712570 tox21-ror-cho-viability-p1 set2 4 29.8492948118 10.8984629439 -0.8984629439 10 4.5044702849 0.7560781711 0.0182695542 -2.10687239 0.25882701 -2.34410963 0.0681889 0.49066136 -3.24871912 0.92061905 -1.0048837 0.8676683 -0.29959456 -3.13666066 -1.62952112 0.48998383 0.73106701 8.64409735 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54739-18-3 5324346 170464809 A Fluvoxamine FC(F)(F)c1ccc(cc1)C(\CCCCOC)=N\OCCN Tox21_110837_1 -NCGC00091632-02 196712572 tox21-ror-cho-viability-p1 set2 4 -5.20972691 -5.20569989 -5.93222341 -1.9668358 -4.85124299 -7.23405483 -5.89009946 -2.09697677 -2.34732813 -2.05658767 -0.24560815 -2.03948175 -4.82544734 -9.50259904 -7.28214356 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00163771-03 196708629 tox21-ror-cho-viability-p1 set2 4 5.82028835 -0.59108492 1.65594966 0.23521336 -0.69390883 2.36165375 -0.44359924 0.93829843 0.07538564 5.39293652 -0.05393789 1.84344442 3.1999594 6.90797843 1.12985228 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00256573-01 196708225 tox21-ror-cho-viability-p1 set1 -2.2 21.6899429044 -69.0057937335 1.7691484109 -67.2366453226 0.7999999999 0.9597327599 0.0000025427 1.77235021 1.75499968 -0.13778766 2.28090754 1.83185677 -1.78183546 1.34940975 -1.67802165 2.35879738 -2.41362857 -12.95349054 -27.39400423 -28.74023153 -34.36213419 -54.94971851 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-18-7 2406 144213236 A A Bithionol Oc2c(Sc1cc(Cl)cc(Cl)c1O)cc(Cl)cc2Cl Tox21_302919 -NCGC00256545-01 196708232 tox21-ror-cho-viability-p1 set1 4 1.45214542 2.00470069 -0.84136097 -1.29855352 -0.84922515 5.71036774 3.08427606 2.19092353 1.48858491 2.19458672 -4.48952602 7.98007665 -2.45696183 7.17007965 8.90289555 1.041E-9 2.327E-9 5.203E-9 1.1629999999E-8 2.6009999999E-8 5.817E-8 1.3009999999E-7 2.908E-7 6.5029999999E-7 0.000001454 0.0000032519999999 0.0000072709999999 0.00001626 0.00003636 0.00008129 11013-97-1 5284419 144213056 D Methyl hesperidin COc1ccc(cc1OC)[C@@H]2CC(=O)c3c(O)cc(cc3O2)O[C@@H]5O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]5O Tox21_302739 -NCGC00256496-01 196708233 tox21-ror-cho-viability-p1 set1 4 2.34846802 2.02538665 3.74065861 0.18143077 4.83191375 -1.92607552 2.96239446 4.65535082 0.89005965 1.37887259 1.06655353 -2.24826451 2.40898744 4.517111 7.55030736 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 61-76-7 5284443 144213163 A A Phenylephrine hydrochloride Cl.O[C@@H](CNC)c1cc(O)ccc1 Tox21_302846 -NCGC00258963-01 196708647 tox21-ror-cho-viability-p1 set2 4 3.59680119 3.8150791 3.07620344 0.47418196 4.17975753 3.78888403 1.57838251 1.7193721 1.10571424 2.11155945 5.84311419 4.72718698 5.65441324 2.66646408 1.19206727 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 80-54-6 228987 144208610 A A 3-(4-tert-Butylphenyl)-2-methylpropanal CC(C)(C)c1ccc(CC(C)C=O)cc1 Tox21_201412 -NCGC00259207-01 196709047 tox21-ror-cho-viability-p1 set2 4 2.13069213 0.91290005 3.36252588 3.54813696 2.11550908 0.95525965 -0.20279449 0.49355696 -0.32337115 -0.65663821 0.14264312 1.78456006 3.06181502 3.28101435 -0.0216713 1.1689999999E-9 2.614E-9 5.845E-9 1.3069999999E-8 2.9229999999E-8 6.535E-8 1.461E-7 3.268E-7 7.3069999999E-7 0.0000016339999999 0.000003653 0.000008169 0.00001827 0.00004084 0.00009133 78-70-6 6549 144208856 A A Linalool CC(O)(C=C)CC\C=C(\C)C Tox21_201658 -NCGC00258965-01 196709048 tox21-ror-cho-viability-p1 set2 4 7.71673724 -0.54597768 0.56105418 0.79327173 1.15521223 0.26367243 0.0904266 3.04584747 3.2012346 0.86993762 4.42809823 0.88757809 2.97180528 2.71529171 0.91062495 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.6299999999E-8 1.4829999999E-7 3.315E-7 7.4129999999E-7 0.0000016579999999 0.000003707 0.000008288 0.00001853 0.000041439999999 0.00009266 834-12-8 13263 144208612 A A Ametryn CSc1nc(NCC)nc(NC(C)C)n1 Tox21_201414 -NCGC00259717-01 196709053 tox21-ror-cho-viability-p1 set2 -2.1 53.8737756516 -76.3350802579 -1.1566986349 -77.4917788928 3.1319983358 0.9886365808 1.8E-9 -4.46406537 0.54445068 -3.21851979 -1.97405793 -2.33542711 -2.52336576 0.09509524 1.42169931 -1.163494 0.37622936 -0.76552268 -1.42334659 -0.03794393 -25.05494135 -65.14528704 1.1689999999E-9 2.615E-9 5.8469999999E-9 1.3069999999E-8 2.9229999999E-8 6.537E-8 1.462E-7 3.268E-7 7.308E-7 0.0000016339999999 0.0000036539999999 0.0000081709999999 0.00001827 0.00004086 0.000091349999999 120-95-6 8455 144209366 A A 2,4-Bis(2-methylbutan-2-yl)phenol Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC Tox21_202168 -NCGC00259436-01 196706177 tox21-ror-cho-viability-p1 set1 4 2.4708221524 8.779629504 -9.779629504 -1 4.9549173134 0.485953706 0.1912415855 -16.06635792 -1.82174218 -8.59632115 -14.05627171 -14.5700706 -6.21530494 -9.75477665 -5.9030091 -7.92669575 -13.28915476 3.62363781 -0.35567671 -6.87196402 0.04230096 -0.57984055 1.195E-9 2.672E-9 5.975E-9 1.336E-8 2.988E-8 6.6809999999E-8 1.494E-7 3.34E-7 7.469E-7 0.0000016699999999 0.000003735 0.000008351 0.00001867 0.00004175 0.00009336 57-11-4 5281 144209085 A Ac Octadecanoic acid O=C(O)CCCCCCCCCCCCCCCCC Tox21_201887 -NCGC00259389-01 196706162 tox21-ror-cho-viability-p1 set1 4 0.33040284 5.91089985 -0.08568955 7.05709496 3.79099073 -1.6546667 1.16152287 1.3086066 -3.0463135 11.35029036 -0.19534757 4.14352807 1.23003169 3.90226807 6.06424371 1.1779999999E-9 2.635E-9 5.891E-9 1.3169999999E-8 2.945E-8 6.586E-8 1.4729999999E-7 3.2929999999E-7 7.364E-7 0.0000016469999999 0.0000036819999999 0.000008233 0.000018409999999 0.000041159999999 0.000092049999999 41317-15-1 162461 144209038 F 4-Methoxy-2-methyl-N-phenylaniline COc2cc(C)c(Nc1ccccc1)cc2 Tox21_201840 -NCGC00258806-01 196706171 tox21-ror-cho-viability-p1 set1 4 -4.56306125 -5.13460362 -2.81535209 -2.82599175 -2.1455886 -2.01487434 -2.21083178 -16.58758415 5.4309026 -1.38709686 -3.55977451 0.0886037 1.27869975 1.39748934 2.89079395 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 115-96-8 8295 144208452 A A Tris(2-chloroethyl) phosphate ClCCOP(=O)(OCCCl)OCCCl Tox21_201254 -NCGC00259380-01 196706174 tox21-ror-cho-viability-p1 set1 4 -0.38655705 6.60944685 0.19641655 1.17251659 -0.73403494 0.54270437 1.5864374 -0.39089109 0.75001094 11.07728098 1.58330977 8.70361518 -0.60523247 0.89537063 -0.4975651 1.173E-9 2.622E-9 5.863E-9 1.311E-8 2.931E-8 6.5549999999E-8 1.466E-7 3.277E-7 7.328E-7 0.0000016389999999 0.000003664 0.000008193 0.00001832 0.000040969999999 0.000091599999999 526-75-0 10687 144209029 A A 2,3-Dimethylphenol Cc1cccc(O)c1C Tox21_201831 -NCGC00256790-01 196727290 tox21-ror-cho-viability-p1 set3 4 -6.41849136 -5.62585279 -6.67723545 -3.86265354 -3.39244639 -2.33139498 -4.08353764 -0.46061867 1.77654461 -3.32812056 0.19460535 0.00009155 0.9030321 1.63840559 0.32506805 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 622-62-8 12150 144213001 C A 4-Ethoxyphenol CCOc1ccc(O)cc1 Tox21_302684 -NCGC00257303-01 196726878 tox21-ror-cho-viability-p1 set3 4 -2.64136856 2.07176335 0.99474963 -2.77968804 -8.02685681 -10.59840936 -14.69239705 -3.413263 -3.99240495 -1.67493717 -1.62319924 0.68554606 -3.32041878 2.11930278 -4.79921621 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6119-47-7 2723885 144213870 A A Quinine hydrochloride dihydrate Cl.O.O.COc1cc2c(cc1)nccc2[C@@H](O)[C@@H]4CC3CCN4C[C@@H]3C=C Tox21_303565 -NCGC00257265-01 196727274 tox21-ror-cho-viability-p1 set3 4 0.87146357 2.37369949 -0.08816896 -1.2834106 -0.81301398 -0.76565554 -1.7701712 0.75885703 -21.90714111 0 0 -4.92599543 -0.89411722 -5.19410639 -1.32640815 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25550-98-5 16212880 144213833 F F Diisodecylphenyl phosphite CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1 Tox21_303526 -NCGC00256899-01 196727276 tox21-ror-cho-viability-p1 set3 4 0.25668148 3.78617657 -1.02085539 3.37806529 -2.15803365 -2.28505338 -0.08657609 1.95606171 -1.55582989 3.94889459 0.39652875 3.39362263 -1.66240659 1.31905581 3.09538096 5.338E-10 1.194E-9 2.6689999999E-9 5.968E-9 1.335E-8 2.9839999999E-8 6.6729999999E-8 1.4919999999E-7 3.3359999999E-7 7.4599999999E-7 0.000001668 0.00000373 0.0000083409999999 0.00001865 0.0000417 77337-73-6 155434 144212923 Ac Acamprosate calcium [Ca+2].O=C(C)NCCCS(=O)(=O)[O-].CC(=O)NCCCS([O-])(=O)=O Tox21_302606 -NCGC00256662-01 196727294 tox21-ror-cho-viability-p1 set3 -2.4 38.5707788719 -41.8151846938 -4.266855581 -46.0820402748 1.4787409999 0.5448240781 0.139338546 -15.50880082 -7.13275156 -25.90889836 -13.35234806 0 0 0 0 0 0 -0.05778362 -22.16122613 -10.4001474 -23.22037133 -42.66855581 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 6911-51-9 23347 144212795 Bc Fns 2-Thienyl disulfide s1cccc1SSc2cccs2 Tox21_302478 -NCGC00090698-04 196727296 tox21-ror-cho-viability-p1 set3 4 -1.30605248 1.49442932 -0.96452794 -0.61554785 2.70181008 0.91103972 0.02965441 0.6980685 1.49156432 1.62389169 2.0235702 2.28730351 -1.08018028 0.11415947 2.67063699 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00257266-01 196727691 tox21-ror-cho-viability-p1 set3 4 -0.12771197 -2.48118732 -1.01155966 2.32745706 -4.5216331 -3.82114498 -3.42678634 -19.77711118 0 -3.51862829 -3.19097332 -2.37931288 -1.163592 -1.00350682 -1.9138041 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67-47-0 237332 144213856 A A 5-(Hydroxymethyl)-2-furfural O=Cc1ccc(CO)o1 Tox21_303551 -NCGC00160566-02 196725272 tox21-ror-cho-viability-p1 set3 4 13.3331902297 -26.266129004 1 -25.266129004 2.2526478767 0.6614590629 0.068545639 4.55875569 0.3961903 9.33862794 6.37135124 -0.38420346 0.12945774 -0.36239522 -1.26910892 -4.18762226 -4.28473585 -0.12584031 -3.9936891 -1.60914024 -22.72177417 3.74825614 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15599-52-7 65620 170466473 A Broquinaldol Oc1c(Br)cc(Br)c2ccc(C)nc12 Tox21_111904_1 -NCGC00090708-05 196724850 tox21-ror-cho-viability-p1 set3 -2.4 19.3311819617 -25.065172152 -2.5 -27.565172152 2.4063783767 0.9220615022 0.0001825958 -3.71741511 -1.09509126 -4.19933582 -4.41165505 0.56193808 -4.71235071 -2.01481197 -2.64512277 -2.65144673 0.41274592 -3.13914687 -2.67065122 -16.12080524 -23.38764346 -7.693292 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00260635-01 196724851 tox21-ror-cho-viability-p1 set3 4 2.48421728 -11.29307304 1.18525587 -4.3041082 -0.78098964 -8.07249034 0.16615859 0.44388949 0.37350066 1.42079086 -5.04539237 0.10284016 -2.00648824 -0.98365115 0.01973981 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49531 144210288 M M NTP Mix111 ER1 10-EQC Tox21_203090 -NCGC00260316-01 196724865 tox21-ror-cho-viability-p1 set3 4 -6.24963165 2.6513601 -1.44146075 5.30578448 0.2983631 -3.09231699 1.78664521 5.52033004 -2.75770923 2.20562667 3.61908345 0.25522011 -6.56903926 -3.61635995 10.44927009 3.145E-10 7.031E-10 1.572E-9 3.516E-9 7.861E-9 1.758E-8 3.9309999999E-8 8.7889999999E-8 1.965E-7 4.395E-7 9.827E-7 0.000002197 0.000004913 0.00001099 0.00002457 840-65-3 61225 144209967 A A Dimethyl 2,6-naphthalenedicarboxylate O=C(OC)c1ccc2cc(ccc2c1)C(=O)OC Tox21_202769 -NCGC00159479-05 196725283 tox21-ror-cho-viability-p1 set3 4 4.87870776 -2.20730584 3.47359064 4.52709529 1.08195023 5.66588373 7.03766121 4.64352481 3.52137208 6.50569435 3.6900784 7.05412658 1.21267236 7.16967288 4.69930915 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 93-60-7 7151 170465506 A Methyl nicotinate COC(=O)c1cccnc1 Tox21_111702_1 -NCGC00015860-06 196725287 tox21-ror-cho-viability-p1 set3 2.2 26.6032120037 68.8101268836 2.934643564 71.7447704476 0.9999999999 0.8307362703 0.0038705988 2.60578372 -2.47956663 0.74870675 -2.13084527 -7.13779703 3.03778054 16.2162471 6.13099808 7.61921175 10.19507735 11.67503412 11.08285791 12.42958054 29.51135178 54.39330597 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1786-81-8 92163 170464697 A Prilocaine hydrochloride Cl.O=C(Nc1ccccc1C)C(C)NCCC Tox21_110513_1 -NCGC00025179-12 196713327 tox21-ror-cho-viability-p1 set2 4 0.0011883218 -15.138102608 16 0.861897392 0.9999999999 0.588379457 0.1062606227 11.87732085 10.13021065 0.27466277 1.38528092 9.27500818 1.21100491 1.86180986 1.51499849 2.79266376 1.09365247 1.57178934 -0.30587381 -0.88686891 0.43411408 -0.94841884 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84371-65-3 55245 170465151 A Mifepristone CN(C)c1ccc(cc1)[C@H]5C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]4CCC3=CC(=O)CCC3=C45 Tox21_110952_1 -NCGC00249883-01 196713312 tox21-ror-cho-viability-p1 set2 4 3.25855032 2.79166081 3.27635745 2.89349431 -1.53379974 2.70724388 1.73958958 3.54959622 4.12395869 -0.26330634 2.79197469 3.42469669 -0.37259146 1.94022303 -1.36652422 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 76-47-1 84088 170465314 A A Hydrocortamate CCN(CC)CC(=O)OCC(=O)[C@@]4(O)CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_113659 -NCGC00253681-01 196713332 tox21-ror-cho-viability-p1 set2 4 0.16785492 -5.1278176319 5 -0.1278176319 1.9673362061 0.604846073 0.0950843604 6.84118718 5.15731137 4.42050839 3.53148221 4.39478233 5.55161375 5.87306311 1.37448811 0.99982878 0.87231095 0.56094159 -5.52318136 3.42212963 -0.19426712 1.12174259 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33924-48-0 118574 170466718 Ac A Methyl 5-chloro-o-anisate COc1ccc(Cl)cc1C(=O)OC Tox21_113805 -NCGC00015438-07 196713731 tox21-ror-cho-viability-p1 set2 4 0.93507254 3.47890358 -0.9257541 -0.31309329 1.72994155 -2.33373618 4.90796931 -1.60663523 2.98214397 -1.58939779 4.60501416 0.73499139 2.91039089 -0.61844037 3.98629917 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5053-08-7 68626 170466219 A Fenspiride hydrochloride Cl.O=C3NCC1(CCN(CC1)CCc2ccccc2)O3 Tox21_111230_1 -NCGC00015279-08 196713736 tox21-ror-cho-viability-p1 set2 4 -4.55930228 1.56452644 0.01835649 2.22763584 0.06003957 -0.03191276 0.48578512 0.56452933 1.22718798 -0.42062528 1.34754093 -0.08500504 1.5285706 4.05637031 3.34887974 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3685-84-5 19379 170465815 A Meclofenoxate hydrochloride Cl.Clc1ccc(OCC(=O)OCCN(C)C)cc1 Tox21_110123_1 -NCGC00183845-01 196713737 tox21-ror-cho-viability-p1 set2 4 1.80320222 -2.07742285 2.20796516 -3.0114609 0.32386222 1.40452044 2.35413428 2.00882877 -4.48427595 1.76414971 0.13303919 -2.36162996 1.07315186 -0.89463657 -1.38826624 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 103922-33-4 5282450 144206830 A A Pibutidine NC=3C(=O)C(=O)C=3NC\C=C/COc2cc(CN1CCCCC1)ccn2 Tox21_113279 -NCGC00165864-04 196713738 tox21-ror-cho-viability-p1 set2 4 -0.01613517 1.44417196 0.04907369 -0.9808996 -1.20676995 1.62790369 -0.70784281 -1.98906719 1.73760532 -2.73114537 0.13127276 -3.17882898 0.04487772 1.0683732 -0.59646896 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2448-68-2 11705034 170465949 A Pipamperone dihydrochloride Cl.Cl.Fc1ccc(cc1)C(=O)CCCN2CCC(CC2)(C(N)=O)N3CCCCC3 Tox21_112266_1 -NCGC00015605-09 196713740 tox21-ror-cho-viability-p1 set2 4 29.8492948118 10.9656605399 -1.4656605399 9.5 4.5044702849 0.340825704 0.3302341739 -0.94517093 1.63806563 1.3628344 0.55261844 -0.76493448 0.37078779 0.11099366 -0.56724729 -12.88805045 -0.85002875 -1.78818121 -1.40537921 -2.13261499 0.23765176 8.04400558 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84057-84-1 3878 170465024 A Lamotrigine Clc1cccc(c1Cl)c2nnc(N)nc2N Tox21_110179_1 -NCGC00016570-06 196713748 tox21-ror-cho-viability-p1 set2 4 -1.60032788 -2.74475609 -3.16252602 -1.72534033 -0.36580638 -9.21763025 -5.16462967 -0.34439855 -8.245498 1.91128275 0.44011318 -3.37919094 -4.99240674 -1.52356563 0.38239877 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1212-72-2 71611 170465271 A Mephentermine hemisulfate O=S(=O)(O)O.CC(C)(NC)Cc1ccccc1.CC(C)(NC)Cc1ccccc1 Tox21_110501_1 -NCGC00013841-09 196713750 tox21-ror-cho-viability-p1 set2 4 0.1539898 1.48327262 -1.3661444 -1.87524958 1.24224393 -10.66551891 0.73829536 -3.70848381 -4.14090876 1.37088162 -4.77224647 -2.57972944 -9.67306782 0.00034161 -1.04901635 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6202-23-9 22576 170464953 A Cyclobenzaprine hydrochloride Cl.CN(C)CC\C=C2/c3ccccc3C=Cc1ccccc12 Tox21_110040_1 -NCGC00254853-01 196714143 tox21-ror-cho-viability-p1 set2 4 17.2289340586 7.1810291799 -5.1810291799 2 4.9549173134 0.3720483094 0.3000677734 -9.56954394 -1.90656456 -8.03709146 -3.93117603 -2.58364995 -5.55325573 -6.2344048 -2.0983422 -1.6397332 -2.90321311 -3.28765565 -13.90085765 0.03925239 0.49296309 3.13044417 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1067-25-0 61254 144211268 FC Trimethoxypropylsilane CO[Si](CCC)(OC)OC Tox21_300951 -NCGC00254486-01 196714187 tox21-ror-cho-viability-p1 set2 4 0.24498508 -0.12227546 -1.51248467 -0.78727963 0.68999174 -0.57156907 -1.41136866 -0.92756616 0.63498136 -1.34238645 -0.03255185 -0.18117902 1.21812428 -0.63923867 0.46732729 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3147-75-9 62485 144210816 A A Octrizole CC(C)(C)CC(C)(C)c1cc(c(O)cc1)n2nc3ccccc3n2 Tox21_300498 -NCGC00255823-01 196710670 tox21-ror-cho-viability-p1 set2 4 0.76480031 -0.23161041 0.97332684 -0.33336078 -0.57366818 0.15466663 0.50051087 -0.00045829 0.9191406 0.05859895 2.18829869 1.81644434 0.10666033 2.35739976 -4.36051197 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 137-03-1 8710 144212240 A Ac 2-Heptylcyclopentanone O=C1CCCC1CCCCCCC Tox21_301923 -NCGC00256288-01 196710673 tox21-ror-cho-viability-p1 set2 4 1.20013272 5.14193749 3.1309718 3.18575395 5.46738592 3.79508051 -0.30421185 0.17105514 0.62080185 1.21832209 0.92264949 -0.14471224 1.17205494 1.70574851 -0.31409804 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 539-88-8 10883 144212609 A A Ethyl levulinate O=C(C)CCC(=O)OCC Tox21_302292 -NCGC00257540-01 196710659 tox21-ror-cho-viability-p1 set2 4 3.11147369 3.24653517 1.75918974 2.17001619 3.24335161 3.49790797 -1.054663 -1.09949426 0.59972169 1.0011047 1.15965653 1.92203227 1.74999822 1.40387046 5.77293268 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-96-6 4 144212021 A Ac 1-Amino-2-propanol CC(O)CN Tox21_301704 -NCGC00255381-01 196710661 tox21-ror-cho-viability-p1 set2 4 3.56604394 3.51077787 3.11633991 0.47304472 -0.36907147 5.13245554 0.32676854 2.43125272 3.93686067 7.72805381 3.19527322 5.12281105 8.20341285 5.85205705 4.25244388 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 147-94-4 6253 144212288 A A Cytarabine NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O Tox21_301971 -NCGC00255967-01 196710674 tox21-ror-cho-viability-p1 set2 4 3.31153981 4.70454185 3.0752992 4.72174734 4.92226633 4.13807642 -0.18418621 1.2657725 -1.29720277 2.95681856 0.18444072 0.13356858 0.12098307 2.42421726 8.41906261 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 590-46-5 11545 144212459 A Betaine hydrochloride [Cl-].C[N+](C)(C)CC(=O)O Tox21_302142 -NCGC00255683-01 196710676 tox21-ror-cho-viability-p1 set2 -2.4 21.6899429044 -28.7826050719 1.5 -27.2826050719 1.6258976909 0.973569311 2.369E-7 3.78876774 2.36351485 -0.31565012 2.47878787 2.7050993 -1.19710839 0.50482185 1.58924607 0.24378737 2.24075071 -1.96080742 -2.44641159 -11.173912 -19.54051542 -24.81883756 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22978-25-2 644213 144212310 A A 2-Chloro-5-nitro-N-phenylbenzamide O=C(Nc1ccccc1)c2cc(ccc2Cl)[N+]([O-])=O Tox21_301993 -NCGC00255924-01 196711078 tox21-ror-cho-viability-p1 set2 4 6.85418919 3.38016937 -0.91704446 2.49353497 -0.30826655 0.73526353 2.63655506 2.63870245 2.34348977 -0.4079304 0.18102331 2.34121484 0.93493787 -0.4880458 4.72134843 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004107 0.00009184 134-81-6 8651 144212348 A A 1,2-Diphenylethanedione O=C(C(=O)c1ccccc1)c2ccccc2 Tox21_302031 -NCGC00255724-01 196711083 tox21-ror-cho-viability-p1 set2 4 0.46291936 -1.99581072 -3.45555213 -0.54407575 1.26652561 -0.54942313 -3.05335971 -3.17626238 -0.51754438 -2.60775392 -0.93976619 -3.6017235 -1.5205062 0.65226606 -2.33197749 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2110-18-1 459494 144212090 A A 2-(3-Phenylpropyl)pyridine C(CCc1ccccn1)c2ccccc2 Tox21_301773 -NCGC00255281-01 196711084 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -8.794441512 1.5 -7.294441512 4.9549173134 0.6027613922 0.0992603178 2.56033724 5.42602479 0.92520552 1.69648348 1.34188801 0.55389208 1.38351443 0.59170757 1.39563836 1.33912473 -0.30203472 1.19062896 0.04401801 1.61064781 -4.82870126 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 132-66-1 8594 144212596 A D Naptalam O=C(O)c1ccccc1C(=O)Nc3cccc2ccccc23 Tox21_302279 -NCGC00255299-01 196711085 tox21-ror-cho-viability-p1 set2 4 2.41275021 4.10796694 2.31628375 -1.91442175 2.02566212 1.88899563 3.06677767 -1.75391224 0.18826498 2.06893902 3.60844819 -1.57846626 -1.18749575 1.54562627 2.71850614 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26002-80-2 4767 144211887 A A Phenothrin C/C(C)=C/C3C(C(=O)OCc2cccc(Oc1ccccc1)c2)C3(C)C Tox21_301570 -NCGC00256303-01 196711086 tox21-ror-cho-viability-p1 set2 4 3.24149065 0.33681759 3.44676271 2.35932495 0.00938096 -1.7947596 1.09943188 0.85150318 -0.2653767 2.30065684 1.044652 1.56287156 1.20575301 0.9756265 -0.18298579 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 41532-84-7 170530 144212276 A A 1,1,2-Trimethyl-1H-benzo[e]indole CC3(C)c2c(ccc1ccccc12)N=C3C Tox21_301959 -NCGC00256216-01 196711087 tox21-ror-cho-viability-p1 set2 4 2.46919453 3.33587846 2.47202236 5.23005824 0.15926999 1.1189962 1.52718243 -0.07045328 0.07546639 -0.56749755 1.58068414 -0.16921642 0.71008638 1.14575544 4.00112561 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 46728-75-0 23688987 144211620 A A Lithium 3-carboxy-5-sulfobenzoate [Li+].OS(=O)(=O)c1cc(cc(c1)C([O-])=O)C(=O)O Tox21_301303 -NCGC00163774-04 196711491 tox21-ror-cho-viability-p1 set2 -2.4 22.4642298192 -25.1520990201 -1.8583014359 -27.010400456 0.5 0.7278423437 0.0268765133 -2.70550169 -4.63068389 -2.8980669 -3.34257919 -0.29858453 -1.28084749 -4.13894939 -3.20447207 -5.64800506 -10.37922315 -4.98639273 -19.82384903 -10.39983186 -11.69247845 -22.09200038 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00260106-01 196724234 tox21-ror-cho-viability-p1 set3 4 -7.73004552 1.38947067 -2.03150726 -0.0840722 0.52697973 -2.12965704 4.21001555 5.55877641 1.9581944 5.53446419 6.06365463 -2.30156923 -3.95848443 -4.53731485 3.69813303 1.185E-9 2.6499999999E-9 5.9249999999E-9 1.325E-8 2.962E-8 6.6239999999E-8 1.481E-7 3.312E-7 7.406E-7 0.000001656 0.0000037029999999 0.0000082799999999 0.00001852 0.0000414 0.00009258 142-72-3 8896 144209755 F Magnesium acetate [Mg+2].[O-]C(C)=O.[O-]C(C)=O Tox21_202557 -NCGC00260300-01 196724240 tox21-ror-cho-viability-p1 set3 4 -3.8673153 -7.18112744 -4.06396337 -4.72716877 -6.55097927 0.87610887 1.69359454 3.31742015 -8.24724338 -6.26945946 -0.24240601 -4.58094358 -9.18498713 -3.45288587 3.29951098 3.028E-10 6.7699999999E-10 1.514E-9 3.3849999999E-9 7.569E-9 1.693E-8 3.785E-8 8.463E-8 1.892E-7 4.2309999999E-7 9.462E-7 0.000002116 0.0000047309999999 0.00001058 0.00002365 6419-19-8 16698 144209951 F Aminotrimethylene phosphonic acid OP(=O)(O)CN(CP(=O)(O)O)CP(=O)(O)O Tox21_202753 -NCGC00357104-01 196724248 tox21-ror-cho-viability-p1 set3 4 -1.07984383 -8.414142 4.62324452 -6.28855205 -0.79953119 2.56551104 2.64800646 -8.38876258 -5.76624688 -1.13380412 -3.46385094 -1.08896222 4.81466379 2.38737066 -3.86378766 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-16-3 7128 251919973 F 4-Prop-1-enylveratrole COc1cc(ccc1OC)C=CC Tox21_303830 -NCGC00162288-07 196722379 tox21-ror-cho-viability-p1 set3 4 -8.94015575 2.6913102 -9.59854284 1.46342588 -6.03600542 0.01965228 -5.19001355 17.41366121 -0.53199137 -14.10438166 9.23589959 11.00383985 -13.11736508 -11.40880571 -10.38533883 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 99-66-1 3121 170465446 Z Valproic acid sodium salt CCCC(CCC)C(=O)O Tox21_111091_1 -NCGC00259327-01 196721959 tox21-ror-cho-viability-p1 set3 4 -6.41967947 -4.15861742 -2.51645982 -3.85842962 -2.68425142 -5.36490116 -5.16197864 -3.68441927 -3.98919513 0.67736338 -3.85874185 -2.06658794 -4.73290888 -0.7538158 -2.89060677 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.962E-8 6.622E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 111-20-6 5192 144208976 A A Decanedioic acid O=C(O)CCCCCCCCC(=O)O Tox21_201778 -NCGC00259856-01 196721965 tox21-ror-cho-viability-p1 set3 -2.1 27.5561300424 -103.2923117835 0.6684315939 -102.6238801896 0.5999999999 0.9476735737 0.0000107686 -3.42746479 -2.96709274 3.85090999 5.57032028 -2.1114237 -3.85106767 -4.8322857 -7.16091771 -11.89936266 -5.74024405 -29.14210346 -40.7927382 -37.7782286 -52.19228821 -77.74536378 1.189E-9 2.6589999999E-9 5.945E-9 1.3289999999E-8 2.9719999999E-8 6.646E-8 1.486E-7 3.323E-7 7.4309999999E-7 0.000001662 0.0000037149999999 0.0000083079999999 0.000018579999999 0.00004154 0.000092879999999 7778-50-9 24502 144209505 Potassium dichromate [K+].[K+].[O-][Cr](=O)(=O)O[Cr]([O-])(=O)=O Tox21_202307 -NCGC00247721-01 196722375 tox21-ror-cho-viability-p1 set3 4 13.435299547 12.241767692 0.758232308 13 0.4 0.4958634282 0.20085014 -3.53480641 0.054161 3.28902852 5.83660834 5.21100621 0.42824256 -0.5263662 2.87799911 2.94557531 3.24651826 6.69305293 7.84445443 4.63939201 9.90850289 1.48352299 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 509-60-4 5359421 144206439 A A Dihydromorphine Oc1ccc2C[C@H]4N(C)CC[C@@]35[C@@H](Oc1c23)[C@@H](O)CC[C@@H]45 Tox21_112886 -NCGC00250401-02 196722771 tox21-ror-cho-viability-p1 set3 -1.1 0.3349145963 -71.9933984897 0.5931832489 -71.4002152408 3.9294729863 0.9744442993 1.944E-7 -2.72087655 -0.45200398 2.43139219 2.69540747 2.17238918 1.52036018 0.03367295 -3.87268927 -41.39098036 -75.82965693 -74.37993154 -74.62480019 -76.37276004 -71.40362995 -52.76035656 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 131740-09-5 9910986 170466414 A Flavopiridol Cl.CN4CC[C@H](c3c(O)cc(O)c1c3OC(=CC1=O)c2ccccc2Cl)[C@H](O)C4 Tox21_113396_1 -NCGC00247355-02 196722774 tox21-ror-cho-viability-p1 set3 1.2 1.0859668448 28.902277892 -11.402277892 17.5 1.8851180601 0.9453443891 0.0000136657 -9.26934102 -11.33836979 -11.71567979 -10.75584857 -13.66856491 -7.01177217 -10.80417839 -11.50672748 -7.59663447 14.55207128 16.2979383 12.41249286 16.68260526 15.34580304 20.45582336 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 60561-17-3 65494 144206432 A A Sufentanil citrate O=C(O)C(O)(CC(=O)O)CC(=O)O.CCC(=O)N(c1ccccc1)C2(COC)CCN(CC2)CCc3cccs3 Tox21_112879 -NCGC00164573-02 196722782 tox21-ror-cho-viability-p1 set3 4 1.4960085492 -6.8062407959 -1 -7.8062407959 1.6604358099 0.5959194065 0.1154211454 -1.53859392 -0.99451499 -2.07757619 0.83139223 1.24533338 -2.73364165 -0.46930706 -1.60705746 0.96390058 -6.88866083 -0.65683225 -9.42186733 -9.20169682 -5.69817549 10.45371216 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17617-23-1 3393 170465018 A Flurazepam Fc3ccccc3C2=NCC(=O)N(CCN(CC)CC)c1ccc(Cl)cc12 Tox21_112201_1 -NCGC00253702-01 196722783 tox21-ror-cho-viability-p1 set3 4 16.7854920005 -12.539884232 0.5 -12.039884232 1.6266150999 0.4415145088 0.2330441572 0.05288706 1.5749753 0.40200133 1.15255824 0.4159261 -0.13994301 -1.09237294 0.69798796 2.42452709 8.7784855 -8.24394626 -2.57127133 1.60994015 -10.03323686 -8.78877701 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 92-39-7 7088 170466693 A F 2-Chlorophenothiazine Clc1cc2Nc3ccccc3Sc2cc1 Tox21_113822 -NCGC00262946-01 196722788 tox21-ror-cho-viability-p1 set3 4 10.5909294584 -8.3380901839 0 -8.3380901839 1.752947691 0.608290252 0.0926798009 -2.062742 -1.59549886 -0.24083571 -2.43999874 -0.15298838 -1.93254159 -0.42213967 2.55165533 0.00345431 5.11512771 -0.07520464 -2.910503 -2.8464829 -6.2383208 -7.78174182 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 73590-85-9 155794 170466189 A F Omeprazole sulfide Cc3c(OC)c(C)cnc3CSc1nc2cc(ccc2n1)OC Tox21_113939 -NCGC00259423-01 196721186 tox21-ror-cho-viability-p1 set3 4 17.5272176827 7.0761161079 -1.5761161079 5.5 4.9549173134 0.4316634292 0.2431599054 -4.73706962 0.33100264 0.71949693 1.35306903 -0.46220024 -5.40024653 -1.71423658 -0.53723511 3.5412951 -6.22281256 -1.02944514 -6.31343009 2.91844777 2.96680902 7.7473991 1.197E-9 2.676E-9 5.983E-9 1.338E-8 2.9909999999E-8 6.689E-8 1.496E-7 3.345E-7 7.479E-7 0.0000016719999999 0.0000037389999999 0.000008361 0.000018699999999 0.00004181 0.00009348 84-66-2 6781 144209072 A A Diethyl phthalate O=C(OCC)c1ccccc1C(=O)OCC Tox21_201874 -NCGC00090910-03 196720791 tox21-ror-cho-viability-p1 set3 4 -3.84683724 -7.38819559 -0.68464428 3.88509736 -0.06144712 -0.74834152 -5.04233044 -3.03399902 -4.15266796 -4.34339369 -3.12169594 -7.3133806 -3.19124057 -5.24639667 -6.57913152 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00259974-01 196722216 tox21-ror-cho-viability-p1 set3 4 31.5436220894 7.0268583719 -4.0268583719 3 4.0949729863 0.3891379264 0.2850020535 -7.10571531 -5.29628345 -1.91599159 3.91893876 -3.99874783 -6.30240409 -6.15808362 -4.20408048 -2.98582301 -1.69938235 -4.68255776 -5.39198375 -2.46867404 1.19500202 3.07120897 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.00001889 0.00004225 0.00009447 119-61-9 3102 144209623 A A Benzophenone O=C(c1ccccc1)c2ccccc2 Tox21_202425 -NCGC00259058-01 196722207 tox21-ror-cho-viability-p1 set3 4 -5.6816865 -5.11189859 -1.82784827 9.28884486 -0.81433155 -8.68081244 -2.98229663 -7.30682275 -1.10424888 -6.01693104 0.81792197 -5.03203811 0.61766733 3.62293479 2.35912377 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1156-19-0 5503 144208705 A A Tolazamide Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2 Tox21_201507 -NCGC00259209-01 196722214 tox21-ror-cho-viability-p1 set3 4 27.1394921295 -10.6108432319 0.5 -10.1108432319 4.9549173134 0.4051888246 0.2854327825 1.57616404 3.62642017 5.49118663 -5.56370239 -2.08769619 -2.55704688 -3.23476951 -0.59798395 0.48209303 2.52068937 3.27393025 1.99190894 -1.1191878 -8.84236936 0.96054611 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003668 0.000008201 0.00001834 0.000041009999999 0.00009169 2451-62-9 17142 144208858 A B Triglycidyl isocyanurate O=C4N(CC1CO1)C(=O)N(CC2CO2)C(=O)N4CC3CO3 Tox21_201660 -NCGC00258980-01 196722223 tox21-ror-cho-viability-p1 set3 -2.1 31.1995393382 -86.7238473012 -3.577825434 -90.3016727352 1.372261 0.9463982672 0.0000122776 -3.87372185 -4.92137834 -2.40679637 7.1655944 -5.65894933 -7.155167 -6.32933191 -6.95593163 -6.32557853 -5.50173797 -6.10773094 -19.13409139 -34.12257465 -43.93235854 -83.61265994 1.198E-9 2.6779999999E-9 5.988E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.485E-7 0.0000016739999999 0.000003742 0.000008368 0.00001871 0.00004184 0.000093559999999 97-23-4 3037 144208627 A A Dichlorophen Oc2ccc(Cl)cc2Cc1cc(Cl)ccc1O Tox21_201429 -NCGC00259200-01 196722225 tox21-ror-cho-viability-p1 set3 4 19.4688752718 13.294742732 -4.294742732 9 0.4 0.5271731329 0.1557868303 -2.46965524 -1.13177907 -10.66228561 -7.68508396 -0.25791907 -0.2641845 -1.7138421 -1.36002738 0.04378604 -0.56233109 -1.83415378 -0.19337155 0.85222711 4.03755777 6.36607458 1.187E-9 2.6549999999E-9 5.937E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 25360-10-5 520196 144208849 FNS tert-Nonanethiol CC(C)(S)CCCCCC Tox21_201651 -NCGC00015251-13 196716848 tox21-ror-cho-viability-p1 set2 4 2.01472363 -1.82828625 4.34823863 1.52659806 4.02978848 5.10946817 4.2654395 4.3123467 3.47297768 0.72735599 1.05915593 -1.56609198 0.23352281 0.82476823 1.78727984 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23593-75-1 2812 170464807 F Clotrimazole Clc1ccccc1C(c2ccccc2)(c3ccccc3)n4ccnc4 Tox21_110111_1 -NCGC00257965-01 196716437 tox21-ror-cho-viability-p1 set2 4 -4.45194094 0.73194226 -1.74468055 0.69914484 -1.39834969 1.24510664 -0.50998377 0.72167945 1.04825159 -1.07904578 -4.81666623 3.42702187 2.32344262 -0.31101768 1.09170077 1.202E-9 2.687E-9 6.008E-9 1.3429999999E-8 3.0039999999E-8 6.7169999999E-8 1.5019999999E-7 3.359E-7 7.51E-7 0.000001679 0.0000037549999999 0.000008396 0.00001878 0.000041979999999 0.000093879999999 54-21-7 16760658 144207609 A A Sodium salicylate [Na+].O=C([O-])c1ccccc1O Tox21_200411 -NCGC00258229-01 196716439 tox21-ror-cho-viability-p1 set2 -2.4 33.8525283528 -27.728894832 -2.5 -30.228894832 0.7 0.8166193046 0.0055200841 -1.90721612 -9.97904672 -1.91449903 -1.31958579 0.73840814 -2.28910651 -2.9294088 -1.05849818 -0.63099367 -8.26943304 -7.86400263 -13.22807723 -10.8941597 -16.40741294 -21.85741236 1.165E-9 2.6039999999E-9 5.8229999999E-9 1.302E-8 2.911E-8 6.51E-8 1.456E-7 3.255E-7 7.2779999999E-7 0.0000016269999999 0.000003639 0.000008137 0.0000182 0.00004069 0.00009098 95-77-2 7258 144207873 A A 3,4-Dichlorophenol Oc1cc(Cl)c(Cl)cc1 Tox21_200675 -NCGC00257883-01 196716443 tox21-ror-cho-viability-p1 set2 4 -0.22010282 -3.04969717 -4.07107427 -4.5708116 -12.05494732 -0.60459825 0.43281295 1.32650831 -1.07947418 0.35528532 -0.5771659 0.06732984 -1.6756163 -6.28765699 -7.55864112 1.1699999999E-9 2.6159999999E-9 5.849E-9 1.3079999999E-8 2.9239999999E-8 6.539E-8 1.462E-7 3.27E-7 7.311E-7 0.000001635 0.0000036549999999 0.0000081739999999 0.00001828 0.000040869999999 0.000091389999999 551-06-4 11080 144207527 D alpha-Naphylisothiocyanate S=C=N\c2cccc1ccccc12 Tox21_200329 -NCGC00021466-05 196716869 tox21-ror-cho-viability-p1 set2 4 -1.13147015 -0.76324584 -0.93825999 0.24044933 -4.94060835 -1.90297173 -2.07923799 -0.60697154 -3.45085779 -3.30320898 1.51425518 0.84544863 -3.60809534 -4.91037703 -5.22976807 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 434-03-7 5284557 170466182 A Ethisterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@@]1(O)C#C)=C4 Tox21_111604_1 -NCGC00163735-04 196717266 tox21-ror-cho-viability-p1 set2 4 34.3762428541 -14.835133536 5 -9.835133536 0.7999999999 0.4732498249 0.2033615207 0.31016269 -0.27954426 4.93022838 6.67353251 7.14145082 6.13520077 11.82696881 10.19465707 0.9045267 0.46957982 1.86635193 0.12856129 0.15882391 -0.08694281 -7.36261128 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00253740-01 196717681 tox21-ror-cho-viability-p1 set2 4 0.15671162 -0.17993642 -8.17752841 3.27773557 -7.0211368 -0.08450468 -9.1374585 -0.87587992 2.35356618 2.4302609 1.77071246 0.78346065 -0.79569131 1.73701268 -0.19904408 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 175481-36-4 219078 170466190 A A Lacosamide CC(=O)N[C@H](COC)C(=O)NCc1ccccc1 Tox21_113857 -NCGC00258178-01 196729389 tox21-ror-cho-viability-p1 set3 -2.4 55.8151099252 -28.819695944 -1 -29.819695944 2.4063783767 0.9431982809 0.00001696 1.75861042 -2.30285995 -0.88941794 -2.05895505 -0.38318808 0.98771192 -3.21173453 1.67208647 -3.14496885 -0.66803323 -1.43695585 -1.91571345 -2.50783839 -10.87781352 -23.59974662 1.204E-9 2.692E-9 6.02E-9 1.346E-8 3.01E-8 6.7309999999E-8 1.5049999999E-7 3.366E-7 7.526E-7 0.000001683 0.000003763 0.000008414 0.000018809999999 0.000042069999999 0.000094069999999 933-78-8 13619 144207822 A A 2,3,5-Trichlorophenol Oc1cc(Cl)cc(Cl)c1Cl Tox21_200624 -NCGC00258177-01 196729396 tox21-ror-cho-viability-p1 set3 4 12.1599490569 15.524569336 -3.024569336 12.5 3.0654483358 0.8565390466 0.0029053816 -3.94464404 -3.33666277 -5.85380778 0.03824546 -5.4289598 -1.19814497 -2.95316162 -0.1566628 -3.33338321 -1.34465745 -5.53384901 -1.28604861 10.91138708 11.18531145 3.85030316 1.177E-9 2.6319999999E-9 5.886E-9 1.316E-8 2.943E-8 6.5809999999E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.000003679 0.000008226 0.00001839 0.00004113 0.000091969999999 78-44-4 2576 144207821 A A Carisoprodol O=C(NC(C)C)OCC(C)(COC(=O)N)CCC Tox21_200623 -NCGC00258337-01 196729397 tox21-ror-cho-viability-p1 set3 4 1.19491151 1.56704501 2.24310712 1.13735905 -0.54769612 0.66842125 1.97208603 -8.28095618 -1.24360655 3.83216171 0.5672674 2.25198669 -1.13978956 1.78816732 1.29764866 1.1379999999E-9 2.545E-9 5.6909999999E-9 1.2729999999E-8 2.8449999999E-8 6.363E-8 1.423E-7 3.1809999999E-7 7.114E-7 0.0000015909999999 0.0000035569999999 0.000007953 0.00001778 0.00003977 0.00008892 120-93-4 8453 144207981 A A Ethylene urea O=C1NCCN1 Tox21_200783 -NCGC00258587-01 196730227 tox21-ror-cho-viability-p1 set3 4 0.1660846 0.69987918 -0.5635943 -4.33382867 -0.27867203 0.6539033 -1.13314382 0.06841677 0.40771382 0.78972209 -0.12525568 -0.06553045 0.76988739 1.60050146 1.19126389 1.1299999999E-9 2.528E-9 5.652E-9 1.264E-8 2.826E-8 6.319E-8 1.413E-7 3.1599999999E-7 7.065E-7 0.00000158 0.000003533 0.000007899 0.00001766 0.00003949 0.00008831 541-41-3 10928 144208232 FNS Ethyl chloroformate ClC(=O)OCC Tox21_201034 -NCGC00257801-01 196729805 tox21-ror-cho-viability-p1 set3 4 2.88275652 0.14517361 6.4075697 5.43677469 1.41050267 5.55965772 -1.28981532 1.1826109 0.07551805 1.51181902 -7.34599935 0.00302792 0.13130836 2.60796573 1.40952119 1.204E-9 2.693E-9 6.0219999999E-9 1.347E-8 3.011E-8 6.733E-8 1.506E-7 3.367E-7 7.528E-7 0.000001683 0.0000037639999999 0.000008416 0.00001882 0.00004208 0.000094099999999 80226-00-2 115089 144207445 A A (-)-Enterodiol Oc2cc(C[C@@H](CO)[C@@H](Cc1cccc(O)c1)CO)ccc2 Tox21_200247 -NCGC00257887-01 196729816 tox21-ror-cho-viability-p1 set3 4 -7.24164504 -4.65031018 3.64832822 -17.64179753 0.06943768 -9.90404849 -17.47088475 -13.40850058 -11.22143119 -14.49925283 -10.22667798 0 -6.72332586 -7.27942899 -3.05384167 1.156E-9 2.585E-9 5.779E-9 1.292E-8 2.8899999999E-8 6.461E-8 1.4449999999E-7 3.231E-7 7.224E-7 0.000001615 0.000003612 0.0000080769999999 0.000018059999999 0.00004038 0.0000903 578-46-1 11356 144207531 A A 5-Methyl-2-nitroaniline O=[N+]([O-])c1ccc(C)cc1N Tox21_200333 -NCGC00164077-02 196730222 tox21-ror-cho-viability-p1 set3 4 -0.31537898 -0.21155365 0.32234555 0.79072807 -1.435243 -5.75871612 -6.74217129 -6.04164348 -2.04134372 -0.52120216 -8.53212812 -2.09266824 1.04557865 1.25386851 -8.09097158 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00254993-01 196699915 tox21-ror-cho-viability-p1 set1 -2.4 4.8557733675 -23.268712016 1 -22.268712016 1.4163171 0.9038510749 0.0002648858 0.12941776 -0.8239707 -1.2941462 1.95758344 -0.32642782 0.40723471 -0.57683813 4.17636074 3.08684667 -0.18757834 -15.13007123 -10.20651276 -18.68113116 -23.97392668 -21.39971846 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 161326-34-7 10403199 144211410 B B Fenamidone CSC2=N[C@](C)(C(=O)N2Nc1ccccc1)c3ccccc3 Tox21_301093 -NCGC00257722-01 196701971 tox21-ror-cho-viability-p1 set1 4 1.45677612 0.32862608 -0.01774994 3.85453847 2.95597766 -0.14255083 3.5638842 -0.52377288 3.78459816 -3.91206857 -0.54294453 1.47549274 -5.58793712 0.16206355 5.58522237 7.952E-10 1.778E-9 3.976E-9 8.891E-9 1.9879999999E-8 4.445E-8 9.94E-8 2.223E-7 4.97E-7 0.000001111 0.000002485 0.000005557 0.00001242 0.000027779999999 0.00006212 76150-91-9 5382 144207366 AC A 1,4-Bis[2-(3,5-dichloropyridyloxy)]benzene Clc3cc(Cl)cnc3Oc1ccc(cc1)Oc2ncc(Cl)cc2Cl Tox21_200168 -NCGC00257746-01 196702365 tox21-ror-cho-viability-p1 set1 4 4.32212456 -2.17978771 -1.21838598 -1.87612345 -2.05014824 5.85711564 -0.71990924 0.49754023 6.765251 0.12027634 -0.11504806 -0.7345788 2.82257436 4.1083972 -1.60332763 1.2319999999E-9 2.754E-9 6.159E-9 1.3769999999E-8 3.079E-8 6.886E-8 1.54E-7 3.443E-7 7.698E-7 0.000001721 0.000003849 0.0000086069999999 0.00001925 0.000043039999999 0.00009623 507-20-0 10486 144207390 FNS t-Butylchloride CC(C)(C)Cl Tox21_200192 -NCGC00256107-01 196700333 tox21-ror-cho-viability-p1 set1 4 -4.10925029 0.8513111 -0.02492663 -0.56511525 -0.31704379 -5.40674683 0.02578853 2.63743966 -4.95448575 -0.093976 0.23781889 -8.48084548 0.84716718 0.63767399 1.42439544 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4130-08-9 77780 144211600 F Fns Ethenylsilanetriyl triacetate O=C(C)O[Si](OC(C)=O)(OC(=O)C)C=C Tox21_301283 -NCGC00090910-03 196700321 tox21-ror-cho-viability-p1 set1 4 -8.97954049 6.51996098 -0.74548436 0.28378015 -3.77662946 -2.01552401 -4.26523981 -4.13697949 -5.42566892 -0.27681131 0.5007162 -3.64700303 -2.07517348 -10.51172948 -11.21606789 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00256034-01 196700331 tox21-ror-cho-viability-p1 set1 4 0.0019331182 11.392613004 -10.892613004 0.5 4.0949729863 0.6135466239 0.0888563808 -9.49384417 -1.79472419 -2.1359455 0.49614562 -2.23590907 0.04652524 2.84376872 2.15819882 1.36778852 -2.35962952 0.15825696 -0.32574272 -2.30434189 4.60745326 0.77388915 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18835-02-4 87820 144211542 A B Ethyl 3-acetyl-4-oxopentanoate O=C(C)C(CC(=O)OCC)C(C)=O Tox21_301225 -NCGC00255537-01 196700724 tox21-ror-cho-viability-p1 set1 4 0.79241042 -4.86102589 1.83926726 -0.40319536 0.34797608 0.07446837 0.35340129 2.82546113 2.28623224 -3.06347101 -2.96718888 -7.02859651 0.25758349 1.16698299 0.1459093 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-27-7 8385 144212516 A A 2,4-Dinitroanisole COc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O Tox21_302199 -NCGC00255510-01 196700735 tox21-ror-cho-viability-p1 set1 4 108.265175966 -19.8508933719 -3 -22.8508933719 0.4 0.3370022749 0.3329288673 -4.22206847 -6.28368108 0.77927335 -9.44384924 4.50015645 -4.55242553 -6.68033838 0.56445588 -5.64390496 -8.82160904 -13.53441955 -8.17890107 -4.64317294 -7.91222415 -15.70907781 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 142-87-0 23665771 144212399 Ac Sodium decyl sulfate [Na+].[O-]S(=O)(=O)OCCCCCCCCCC Tox21_302082 -NCGC00255591-01 196700749 tox21-ror-cho-viability-p1 set1 -2.2 22.8837257962 -43.2394964296 -1.211745757 -44.4512421866 1.6258976909 0.968115823 6.864E-7 -0.50762181 -0.26893353 2.24794688 -4.64959599 -0.30550932 0.25492248 0.42966772 -5.14696733 -1.24585409 -0.15935626 -7.29287732 -7.89991751 -16.06984945 -32.6371838 -39.86951069 1.121E-9 2.506E-9 5.6039999999E-9 1.2529999999E-8 2.802E-8 6.265E-8 1.401E-7 3.133E-7 7.005E-7 0.000001566 0.0000035019999999 0.000007831 0.00001751 0.00003916 0.00008756 6625-46-3 5483526 144212088 Ac C.I. Acid Violet 12, disodium salt [Na+].[Na+].[O-]S(=O)(=O)c3cc2cc(c(/N=N/c1ccccc1OC)c(O)c2c(c3)NC(C)=O)S([O-])(=O)=O Tox21_301771 -NCGC00255350-01 196701144 tox21-ror-cho-viability-p1 set1 4 4.55127969 0.0846985 0.32730644 0.87704324 -4.2926626 2.55644013 0.15710645 0.21914604 1.34635408 0.58835043 -8.72660451 0.16859375 2.46397443 0.514466 3.27482954 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2782-57-2 16726 144212712 Troclosene ClN1C(=O)NC(=O)N(Cl)C1=O Tox21_302395 -NCGC00091839-03 196701156 tox21-ror-cho-viability-p1 set1 4 27.3060203028 -18.22400554 1 -17.22400554 4.9549173134 0.8824392911 0.0007185216 0.3558895 -0.65825829 0.45110723 0.60131246 1.1878669 0.28885077 0.9594448 -3.99584995 0.13650162 6.19400699 3.97575543 0.07253982 -0.97732212 -15.81698736 -16.85333795 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00091632-02 196701158 tox21-ror-cho-viability-p1 set1 4 -2.97055479 -2.38208438 1.08137955 0.79454923 0.43749662 -2.51146705 0.83100711 -3.66742933 -2.0626631 3.08020802 -0.21154003 -2.4633393 -1.34148063 0.3350333 -0.36925403 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00091426-02 196700543 tox21-ror-cho-viability-p1 set1 4 -9.37924444 -6.5096889 -3.28688161 0.86454296 -2.06033048 -0.50039402 -4.14151881 -4.21765204 -3.60480079 -2.13130256 6.63663025 -4.03234011 -3.29491107 -2.7954472 1.33903493 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00257549-01 196700148 tox21-ror-cho-viability-p1 set1 4 0.0172289341 -12.909628544 0 -12.909628544 3.1319983358 0.8200356932 0.0050979579 0.44264338 -2.41638472 1.28945991 -4.08852559 -10.1272501 -14.28886355 -9.95345249 -10.55155935 -8.02632407 -17.84135712 -12.08375002 -14.4296552 -16.20218583 -14.70087656 -13.22016974 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3878-55-5 77487 144212505 B A Monomethyl succinate O=C(O)CCC(=O)OC Tox21_302188 -NCGC00016323-09 196697678 tox21-ror-cho-viability-p1 set1 4 0.421632496 -4.1510159159 -0.5 -4.6510159159 3.1319983358 0.4333444446 0.2602879921 0.89688461 -0.41782177 -2.0266133 -1.75025094 0.74974949 0.22396562 -2.57707728 -0.41305675 -0.14782453 -9.70917993 -5.75228932 -4.63184503 -5.30893178 0.16592124 3.4317275 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80-32-0 6634 170466574 A Sulfachloropyridazine O=S(=O)(Nc1ccc(Cl)nn1)c2ccc(N)cc2 Tox21_110372_1 -NCGC00179580-04 196697660 tox21-ror-cho-viability-p1 set1 4 1.43286259 6.78969653 1.83142469 3.85277363 5.77929177 1.66222473 0.23414672 3.47741714 1.7675369 1.14960107 0.28767817 0.47710896 2.29966112 5.49945135 0.08134415 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-85-5 171548 170464763 A Biotin O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1 Tox21_113050_1 -NCGC00023643-15 196697668 tox21-ror-cho-viability-p1 set1 4 0.01970227 6.28302731 -0.25919545 1.52681858 1.84626513 0.7148413 2.82726108 4.02066467 -1.05142596 0.19754393 0.97333736 -1.1672635 2.57606083 2.7321211 1.6714558 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53-16-7 5870 170465020 A Estrone Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)C(=O)CC[C@@H]12)c4cc3 Tox21_113567_1 -NCGC00142624-05 196697671 tox21-ror-cho-viability-p1 set1 4 0.91487133 -0.09577436 -4.07454594 0.15124262 1.35318339 -1.44419972 -2.72543295 -2.31775034 -0.38148162 -0.02397237 -4.64501039 0.28502383 -0.6728823 -1.61219656 1.11536223 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4618-18-2 11333 170464861 Z Lactulose O[C@H]2[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H](CO)O[C@]2(O)CO Tox21_111318_1 -NCGC00016850-15 196698082 tox21-ror-cho-viability-p1 set1 4 0.67887143 -0.2058457 3.00325791 0.49516739 7.38210545 1.4409231 3.78575717 -2.11826972 0.60097439 2.27708568 3.41555805 -0.4497603 0.4515793 2.35333207 -0.18051347 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 41859-67-0 39042 170465743 A Bezafibrate O=C(NCCc1ccc(OC(C)(C)C(=O)O)cc1)c2ccc(Cl)cc2 Tox21_110645_1 -NCGC00164077-02 196698087 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -24.01781016 1 -23.01781016 4.9549173134 0.8813439485 0.0007554265 -0.01490536 3.45724047 0.91464755 0.26821915 -0.08552519 0.06959099 0.21457388 -0.23356627 2.00068489 -2.72446923 4.00699102 1.92862719 0.58628168 1.69615724 -17.5148418 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00188863-02 196698499 tox21-ror-cho-viability-p1 set1 -2.1 26.6032120037 -112.2641947978 -2.003476289 -114.2676710868 1.98874246 0.979129817 6.07E-8 3.1387839 -6.03844827 -8.43752003 -3.46707221 2.72933694 -2.8719745 1.23620603 -3.16398218 3.4683454 -4.50782583 -4.24406934 -2.52553284 -14.81118579 -43.88221041 -86.56641749 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 141626-36-0 208898 170465064 A Dronedarone hydrochloride CCCCN(CCCC)CCCOc1ccc(cc1)C(=O)c2c3cc(ccc3oc2CCCC)NS(C)(=O)=O Tox21_113008_1 -NCGC00249919-01 196698501 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -15.182487676 1 -14.182487676 4.9549173134 0.8702778957 0.0011741296 2.44001311 -0.44260454 -0.00570499 1.71956682 0.00943929 -1.07733825 2.39593234 0.63956283 1.36138997 -1.04702846 1.46547897 2.03870996 1.23552979 1.55896383 -11.81873973 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7642-64-0 111318 170465918 A A Nandrolone furylpropionate O=C4C=C5CC[C@@H]2[C@H](CC[C@]3(C)[C@@H](OC(=O)CCc1ccco1)CC[C@@H]23)[C@H]5CC4 Tox21_113695 -NCGC00183276-01 196698502 tox21-ror-cho-viability-p1 set1 4 0.69202578 1.17503946 -0.13373093 1.26351183 6.08131936 4.38436686 1.99833134 -0.2354535 2.73569562 1.87259918 3.23733884 4.90882484 5.47745528 2.03543634 0.63596799 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 72590-77-3 636398 144206491 F F Hydrocortisone buteprate CCC(=O)OCC(=O)[C@@]4(OC(=O)CCC)CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_112938 -NCGC00254938-01 196698911 tox21-ror-cho-viability-p1 set1 4 0.0244850856 4.29025842 -2.79025842 1.5 4.9549173134 0.3579468632 0.3160588743 -1.58071978 -0.06993699 0.13097937 -9.82521535 1.50099707 0.76756514 2.49220647 -1.22133468 1.25268848 0.36576306 1.36258123 1.67406278 2.41214352 2.24136538 1.29923267 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 110-99-6 8088 144211353 A A Diglycolic acid O=C(O)COCC(=O)O Tox21_301036 -NCGC00091423-08 196726351 tox21-ror-cho-viability-p1 set3 4 -1.31922406 -5.38878171 0.35730226 0.55977146 -1.33646809 -2.02649059 -1.05042829 -1.69291799 -3.25331287 -8.78604612 -0.07068007 -0.82734508 -0.34900881 0.8688153 -1.36484107 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 621-42-1 12124 170466279 A 3-Acetamidophenol Oc1cccc(NC(C)=O)c1 Tox21_111130_1 -NCGC00257011-01 196726750 tox21-ror-cho-viability-p1 set3 4 27.3060203028 -25.0161140119 -2.5 -27.5161140119 4.9549173134 0.5835387176 0.1235595291 -0.4132613 -1.89348337 -0.03916447 -0.58797849 0.54232312 -16.85372606 -13.09396318 0 -1.3381468 -0.59077864 0 0.37342622 -0.92256261 -27.93009501 0.56888241 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 4553-62-2 20686 144213491 A A 2-Methylpentanedinitrile CC(CCC#N)C#N Tox21_303174 -NCGC00016507-05 196726336 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -73.4760222713 1.044674631 -72.4313476403 4.9549173134 0.9649155904 0.000001176 6.01698383 0.79781161 5.67264954 -0.20507599 2.45417503 0.14284688 -0.35978412 -3.38395786 -0.34215438 5.02740139 -0.21917263 -0.70660843 -4.65669916 -4.49783105 -63.53626986 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 553-08-2 11102 170465335 A Thonzonium bromide [Br-].COc1ccc(cc1)CN(CC[N+](C)(C)CCCCCCCCCCCCCCCC)c2ncccn2 Tox21_110463_1 -NCGC00090986-03 196726338 tox21-ror-cho-viability-p1 set3 -2.4 54.8152787309 -32.267465136 -1 -33.267465136 2.7202212143 0.9726195552 2.906E-7 0.45626744 -2.33977236 -0.70800389 2.46723538 -1.9214663 -0.33853616 -0.5796019 -1.82532288 -1.29750479 -1.28801272 -2.04229316 -1.28251921 -2.86613809 -11.41037394 -26.88955428 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00257043-01 196726755 tox21-ror-cho-viability-p1 set3 4 -0.24903939 -1.28675096 3.68481705 0.10439874 3.00898692 3.92127963 3.08253053 1.49375472 4.689725 4.26793875 0.01419362 -0.01205534 4.22248365 3.70051511 5.06681965 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-08-9 8783 144213383 F F Tris(2-chloroethyl) phosphite ClCCOP(OCCCl)OCCCl Tox21_303066 -NCGC00256647-01 196726756 tox21-ror-cho-viability-p1 set3 -2.4 68.5896218971 -65.6749361816 -5.394160858 -71.0690970396 0.8999999999 0.5202634766 0.1600669338 -1.50079643 -0.3687508 0.10138355 -20.54836141 -12.31584296 -0.77141255 -27.30432578 -25.81740169 0 -2.01652219 0 -18.8772678 -17.34336323 -24.58520777 -53.84022503 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 5174-32-3 21619272 144212881 F A 2-Acetoxy-5-nitrobenzyl chloride O=C(C)Oc1ccc(cc1CCl)[N+]([O-])=O Tox21_302564 -NCGC00256720-01 196726758 tox21-ror-cho-viability-p1 set3 4 3.38340517 1.96139697 0.25480706 0.25512398 1.21120473 0.17941822 5.62794883 1.55195101 0.54077144 4.96413466 5.17015474 0.38100337 0.97102554 1.47103251 0.58647214 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1111-78-0 517232 144212826 Ammonium carbamate [NH4+].[O-]C(N)=O Tox21_302509 -NCGC00257159-01 196726760 tox21-ror-cho-viability-p1 set3 -2.4 21.6899429044 -25.479886036 0.5 -24.979886036 2.3531167061 0.9775867229 3.294E-7 0.28510821 0.099672 -1.00253801 1.29026964 0.32864759 -0.41069329 2.59522415 -0.44936163 1.02468086 1.43519369 0.01936057 -2.18244468 -9.6212884 -20.39990503 -0.35695867 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 144-80-9 5320 144213417 A A Sulfacetamide Nc1ccc(cc1)S(=O)(=O)NC(C)=O Tox21_303100 -NCGC00256950-01 196726762 tox21-ror-cho-viability-p1 set3 4 -3.02470016 -0.75663317 -0.07376945 -19.53694877 -8.2642981 -26.37572227 -0.73290476 0 -1.84524607 0 0 -16.89457135 -8.09803283 -0.59712758 -3.57774723 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-96-8 8777 144213393 F Ac Dodecyl sulfate triethanolamine OCCN(CCO)CCO.OS(=O)(=O)OCCCCCCCCCCCC Tox21_303076 -NCGC00257228-01 196726771 tox21-ror-cho-viability-p1 set3 4 1.95799071 -3.60720747 6.01585734 -0.64732319 0.46547169 3.20250605 5.64377347 -2.52499273 2.66282955 1.97294721 2.78884973 -0.63369781 -2.36539496 7.0738928 4.62271342 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2078-54-8 4943 144213542 Z Z Propofol CC(C)c1cccc(C(C)C)c1O Tox21_303225 -NCGC00018221-08 196727177 tox21-ror-cho-viability-p1 set3 4 -1.09072578 2.41458615 -1.72465817 -9.13761914 -1.28504858 -2.01831472 0.8783051 -0.98651352 -0.42520693 0.84211038 -0.62572449 1.03094345 -0.77329813 -1.14297874 -2.79335315 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.331E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00257401-01 196727584 tox21-ror-cho-viability-p1 set3 -2.1 60.261267288 -117.9241680542 1.622973947 -116.3011941072 2.9522712143 0.9961989619 0 1.81008852 1.1314894 0.34336075 0.54357535 4.03168483 2.79930087 3.74543607 3.57009289 2.48761958 0.24103628 1.95312401 0.41382888 -4.10167578 -24.86395675 -89.7385757 1.166E-9 2.608E-9 5.832E-9 1.304E-8 2.9159999999E-8 6.5199999999E-8 1.458E-7 3.26E-7 7.2889999999E-7 0.0000016299999999 0.000003645 0.00000815 0.00001822 0.00004075 0.00009112 140-72-7 8816 144213748 A A Cetylpyridinium bromide [Br-].CCCCCCCCCCCCCCCC[n+]1ccccc1 Tox21_303438 -NCGC00257486-01 196727594 tox21-ror-cho-viability-p1 set3 4 8.85982824 2.28670345 -23.47538897 -1.49850301 5.70094776 3.67473702 4.23164702 5.63073531 2.7984941 -1.15197154 -2.80181559 3.1751905 4.54277991 1.68703268 0.1385051 2.536E-10 5.672E-10 1.268E-9 2.8359999999E-9 6.341E-9 1.4179999999E-8 3.171E-8 7.09E-8 1.585E-7 3.5449999999E-7 7.9269999999E-7 0.000001772 0.000003963 0.000008862 0.00001982 7785-70-8 82227 144213740 F (+)-alpha-Pinene CC2(C)[C@@H]1CC=C(C)[C@H]2C1 Tox21_303429 -NCGC00164077-02 196714382 tox21-ror-cho-viability-p1 set2 4 -1.57018977 -2.7660606 -0.7710859 -0.96844475 -1.19735681 -0.6614654 -0.426531 0.15536126 -0.9227761 0.53905104 0.16321949 -0.80844364 5.81078728 5.81802146 -5.36270038 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00025004-04 196713559 tox21-ror-cho-viability-p1 set2 -2.4 33.4914596268 -25.387302144 0 -25.387302144 4.9549173134 0.7341955323 0.0246325602 3.06200941 3.31923537 3.0979312 -3.38926046 1.62103572 2.06023878 1.88942194 -6.13346191 3.70795404 -4.3241903 -5.00091738 -1.39777207 0.55011767 -1.52531287 -21.15608512 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 162408-66-4 4302960 170466893 A GR 103691 CC(=O)c1ccc(cc1)c2ccc(cc2)C(=O)NCCCCN3CCN(CC3)c4ccccc4OC Tox21_110943_1 -NCGC00254583-01 196713960 tox21-ror-cho-viability-p1 set2 4 0.62016285 -1.77143414 -2.77431985 -1.00418278 1.57085997 -6.05335687 -3.68830828 -12.24777631 -0.63717739 -5.76871321 -6.62881953 -2.42134425 -2.41559755 -3.14930103 2.36067923 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-48-4 60995 144210992 A A (2,2-Dimethoxyethyl)benzene COC(OC)Cc1ccccc1 Tox21_300675 -NCGC00254971-01 196713968 tox21-ror-cho-viability-p1 set2 4 -0.97264187 -0.06393015 0.97865527 1.33496113 0.36902558 1.26819222 1.30989449 -0.60676239 1.78573217 0.32325567 0.95129648 2.34621522 4.75023588 2.69339168 2.53178596 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-52-1 8056 144211387 1,4-Dibromobutane BrCCCCBr Tox21_301070 -NCGC00159417-06 196714397 tox21-ror-cho-viability-p1 set2 -2.1 27.9459419698 -91.9678702721 0.724805562 -91.2430647101 1.8579476909 0.9719558235 3.306E-7 -1.84009017 -2.3296648 1.19992194 -0.88358516 -0.53965753 1.70667525 2.54946645 -1.89972802 -2.29879385 3.29795937 2.87149994 -0.76100499 -36.60988539 -54.32389686 -89.45398501 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00257519-01 196714805 tox21-ror-cho-viability-p1 set2 4 2.18514211 2.49337715 0.93913014 1.65340698 -1.10020076 -8.58425094 -9.24884336 -10.54472915 6.06227028 0.46390495 1.47188618 7.21504791 1.71445418 1.1364969 1.07466171 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-31-7 5759 144211064 A A 2,3,6-Trichlorobenzoic acid Clc1c(C(=O)O)c(Cl)ccc1Cl Tox21_300747 -NCGC00254333-01 196714810 tox21-ror-cho-viability-p1 set2 4 7.6958821542 6.7787766279 -4.7787766279 2 1.78848746 0.4356714442 0.239334334 -1.74966258 -5.32728092 -3.04721051 -1.05030471 -4.08766559 -4.04477968 -8.93650585 -13.56564719 -2.97030041 -4.81626735 -2.94963352 -1.65736984 1.28524844 0.57293713 2.53142755 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24602-86-6 32518 144210908 F Tridemorph CC1CN(CCCCCCCCCCCCC)CC(C)O1 Tox21_300591 -NCGC00254968-01 196714811 tox21-ror-cho-viability-p1 set2 4 3.023E-7 -35.76349619 -22.68225303 -2.91079457 0.52254828 1.66254358 4.432722 0.39641246 1.75133602 5.15881988 4.32654365 3.32543976 2.68071212 -0.00383131 -0.10913566 -16.31356918 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65733-18-8 5282198 144211383 FC (7S)-Hydroprene C\C(C=C/C[C@@H](C)CCCC(C)C)=C/C(=O)OCC Tox21_301066 -NCGC00254028-01 196715207 tox21-ror-cho-viability-p1 set2 4 0.086349218 -10.131939672 0 -10.131939672 1.692447691 0.7386363747 0.0296851133 -0.73041994 0.39342923 -0.12365623 0.42117982 -0.4095976 -6.60657714 -2.64465681 -14.69328306 -7.18380811 -14.00957857 -8.50904197 -10.16158109 -11.6591306 -6.64331308 -3.37597433 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-02-0 7540 144210322 F Triphenyl phosphite O(P(Oc1ccccc1)Oc2ccccc2)c3ccccc3 Tox21_300002 -NCGC00167445-02 196713165 tox21-ror-cho-viability-p1 set2 4 -4.06085814 -1.9501097 -5.24338609 -1.14206729 -2.8539373 -2.67229205 -1.36018691 -2.73821913 -1.22296771 0.26318498 1.20467753 0.70678551 1.53431255 -1.68896657 0.30983003 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 10402-53-6 73356 170465851 A Eprazinone dihydrochloride Cl.Cl.O=C(c1ccccc1)C(C)CN3CCN(CC(OCC)c2ccccc2)CC3 Tox21_112449_1 -NCGC00016612-05 196713154 tox21-ror-cho-viability-p1 set2 4 0.0188336318 -4.1352504959 -1 -5.1352504959 4.9549173134 0.5044101235 0.1779910653 -2.19421371 -2.63440184 -1.28915295 2.96747962 -2.04726601 -6.21221457 -3.51798842 -5.28343759 -3.02383637 -5.13579024 -8.44604208 -7.44372864 -4.42031887 -3.28861831 -3.27070892 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2447-57-6 17134 170464751 A Sulfadoxine O=S(=O)(Nc1ncnc(OC)c1OC)c2ccc(N)cc2 Tox21_110523_1 -NCGC00024928-23 196713159 tox21-ror-cho-viability-p1 set2 -2.4 29.8492948118 -25.9001524959 -1 -26.9001524959 4.0449729863 0.9319340846 0.0000447004 1.09359847 -4.28036851 -2.92127732 -3.25279931 -0.11231469 -0.2114223 -0.33755503 -0.00720469 0.78664466 -0.04928886 -0.29644584 -0.42409689 -2.82839607 -5.52780367 -23.25012708 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54965-24-1 2733525 170465425 A Tamoxifen O=C(O)C(O)(CC(=O)O)CC(=O)O.CN(C)CCOc1ccc(cc1)/C(c2ccccc2)=C(/CC)c3ccccc3 Tox21_110938_1 -NCGC00256345-01 196727058 tox21-ror-cho-viability-p1 set3 4 -1.56771703 -2.37628687 1.67575149 6.74129195 0.35439047 0.94413541 -0.55702774 -1.09973224 0.9276379 -3.09825154 -11.33415873 0.31073138 0.37671867 0.47813605 -1.97765583 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 62-44-2 4754 144213212 A A Phenacetin CCOc1ccc(cc1)NC(C)=O Tox21_302895 -NCGC00257487-01 196727042 tox21-ror-cho-viability-p1 set3 4 0.8653765803 -6.8080821719 4 -2.8080821719 0.4 0.3251837134 0.3465775952 2.30682505 -1.02341449 11.42283583 2.5656823 2.86020413 1.12196224 -0.75834865 1.90849736 0.25216746 2.14829334 -0.63254439 0.61132968 -2.22049973 -3.17340181 -0.65577307 1.074E-9 2.401E-9 5.368E-9 1.2E-8 2.6839999999E-8 6.0009999999E-8 1.342E-7 3.0009999999E-7 6.71E-7 0.0000015 0.0000033549999999 0.0000075019999999 0.00001677 0.00003751 0.00008387 15708-41-5 27461 144213753 A A Ethylenediaminetetraacetic acid ferric sodium salt [Fe+3].[Na+].[O-]C(=O)CN(CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O Tox21_303443 -NCGC00257259-01 196727053 tox21-ror-cho-viability-p1 set3 4 -1.39167775 -3.403157 -3.51057358 -0.66994214 -2.47069159 -0.81788772 0 -5.19270336 -2.02110323 -5.46755525 0 0.05621801 -3.22343222 -1.33514586 0.9336072 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 611-70-1 69144 144213742 A A Isopropyl phenyl ketone O=C(C(C)C)c1ccccc1 Tox21_303431 -NCGC00163919-02 196727057 tox21-ror-cho-viability-p1 set3 4 -5.88999749 -4.18666802 -2.96410992 -3.84705823 -2.68957338 -0.97602663 -2.60158253 -2.70046332 -9.50526879 -20.89462012 -0.15647236 2.09142424 -8.64866569 -3.44166998 2.4509983 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00256463-01 196727457 tox21-ror-cho-viability-p1 set3 4 -0.40634271 0.33365935 2.54676314 2.56194246 -0.74858944 -0.2628014 0.43955928 0.32224114 -0.84901789 0.03778693 3.26484203 1.76567991 -0.38385968 0.50172835 -1.50157205 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 505-52-2 10458 144213299 A A Tridecanedioic acid O=C(O)CCCCCCCCCCCC(=O)O Tox21_302982 -NCGC00090942-03 196727458 tox21-ror-cho-viability-p1 set3 -2.1 68.5896218971 -89.2059385886 -3.7452095649 -92.9511481535 3.6272481694 0.900178558 0.0003187885 -2.87034863 -5.9884059 0.08985461 -4.39527238 -1.1730307 -0.31813868 -1.56550959 -22.63757123 -5.69791397 0 -2.30626512 2.03455917 -6.25055828 -14.74117997 -70.41753648 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00091163-03 196727460 tox21-ror-cho-viability-p1 set3 4 2.38552444 -0.87991238 1.25097742 0.93732045 0.94963106 -0.75665245 -0.08562059 -0.92889196 1.12402948 -0.34524407 3.099769 0.08686175 -0.5558932 0.25404616 -0.02041194 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00257355-01 196727474 tox21-ror-cho-viability-p1 set3 4 -0.97523989 0.22736705 2.45964493 0.05910799 -0.92689581 1.64576965 -0.48953825 0.10890251 2.7966771 6.27149192 5.04807835 2.32262026 6.13801041 4.77285493 1.27294156 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1671-75-6 74282 144213849 A F Heptanophenone O=C(CCCCCC)c1ccccc1 Tox21_303543 -NCGC00260068-01 196703442 tox21-ror-cho-viability-p1 set1 4 0.7805568 -4.28029924 -0.11265595 0.22321371 1.01457342 0.62905272 -0.16358894 1.51918207 2.64709574 -9.27364136 1.5455892 6.12111621 -7.97463586 0.0012274 0.96724495 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003707 0.0000082899999999 0.00001854 0.00004145 0.00009268 80-13-7 3552 144209717 F Halazone O=S(=O)(N(Cl)Cl)c1ccc(cc1)C(=O)O Tox21_202519 -NCGC00260615-01 196703428 tox21-ror-cho-viability-p1 set1 4 11.8832183006 -11.134846016 2 -9.134846016 4.9549173134 0.4700446454 0.2236089652 2.02689942 -2.58522835 6.7108311 0.53714689 -0.05335065 0.82730706 -0.81707308 0.86674893 5.17288526 -3.41555648 3.918697 7.83193884 0.57153233 -10.11237168 -2.35519912 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49511 144210268 M M NTP Mix18 AR1 8-EQC Tox21_203070 -NCGC00260178-01 196703439 tox21-ror-cho-viability-p1 set1 -2.2 55.4259289229 -64.0929882622 -5.752992395 -69.8459806572 0.7 0.8083907881 0.0066268791 -2.54572527 -0.41966384 -3.89904916 -10.44076248 -9.26400685 -17.92222979 -5.25120546 -8.65039494 -15.87815735 -11.6155446 -17.82976813 -15.1889852 -25.12353724 -26.05755774 -52.91362171 1.197E-9 2.676E-9 5.983E-9 1.338E-8 2.9909999999E-8 6.689E-8 1.496E-7 3.345E-7 7.479E-7 0.0000016719999999 0.0000037389999999 0.000008361 0.000018699999999 0.00004181 0.00009348 404001-52-1 23160059 144209828 A A 1-Dodecyl-3-methylimidazolium trifluoromethanesulfonate FC(F)(F)S([O-])(=O)=O.C[n+]1ccn(CCCCCCCCCCCC)c1 Tox21_202630 -NCGC00260294-01 196703441 tox21-ror-cho-viability-p1 set1 4 1.4076905 2.03258452 1.36499036 -0.29971263 -1.62366889 0.629171 -1.43386811 3.13612203 -1.1687366 0.04199053 -1.29444205 2.07721976 1.22977798 0.9647643 1.26910923 6.648E-11 1.486E-10 3.324E-10 7.4319999999E-10 1.662E-9 3.716E-9 8.31E-9 1.8579999999E-8 4.1549999999E-8 9.291E-8 2.077E-7 4.645E-7 0.000001039 0.000002323 0.000005194 563-72-4 33005 144209944 Ethanedioic acid, calcium salt (1:1) [Ca+2].[O-]C(=O)C([O-])=O Tox21_202746 -NCGC00091468-02 196703444 tox21-ror-cho-viability-p1 set1 4 0.73021309 7.38878429 7.39685394 -0.27997393 7.36908077 0.55057716 9.76157124 7.04068666 5.88956698 5.14884071 0.07382612 2.1377927 6.59983411 0.73201425 4.07305059 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00258909-01 196706305 tox21-ror-cho-viability-p1 set1 -2.2 68.8687250228 -62.928945985 -2.046762649 -64.975708634 3.9899729863 0.8306411627 0.00388147 -0.37630204 -9.91998195 1.35637684 -14.92995292 2.4384374 0.78090498 0.07457851 1.32904051 5.48602904 -11.28952675 -0.33331062 -1.07161187 0.08221632 -10.40001644 -49.98159745 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.96E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 33089-61-1 36324 144208555 A B Amitraz Cc2ccc(/N=C/N(C)/C=N/c1ccc(C)cc1C)c(C)c2 Tox21_201357 -NCGC00259776-01 196706300 tox21-ror-cho-viability-p1 set1 4 3.4691112361 9.030429036 -8.030429036 1 2.9522712143 0.562198927 0.1259887486 0.15044718 -9.60837795 -11.83557537 -9.65174206 -10.59672894 -4.26045526 -11.88810724 -3.84080373 -12.52535753 -5.04358884 -3.53650619 1.18356469 -0.83451776 0.11357955 2.49444493 1.189E-9 2.6589999999E-9 5.945E-9 1.3289999999E-8 2.9719999999E-8 6.646E-8 1.486E-7 3.323E-7 7.4309999999E-7 0.000001662 0.0000037149999999 0.0000083079999999 0.000018579999999 0.00004154 0.000092879999999 116-06-3 2086 144209425 A A Aldicarb CC(C)(\C=N\OC(=O)NC)SC Tox21_202227 -NCGC00259439-01 196706309 tox21-ror-cho-viability-p1 set1 4 -5.06286203 -5.34711571 -10.2510306 -10.87718877 -10.62000958 -8.54570883 2.93494847 -8.06886662 -5.23838072 -11.58517477 -10.99068222 -0.76918617 -3.67788792 -5.75851383 -4.32276674 1.204E-9 2.693E-9 6.021E-9 1.346E-8 3.011E-8 6.732E-8 1.5049999999E-7 3.366E-7 7.527E-7 0.000001683 0.000003763 0.0000084149999999 0.00001882 0.00004208 0.00009408 96-23-1 7289 144209088 A A 1,3-Dichloro-2-propanol ClCC(O)CCl Tox21_201890 -NCGC00259925-01 196706712 tox21-ror-cho-viability-p1 set1 4 -3.98106236 0.49659505 0.94593879 2.9031603 0.2645929 -0.67178235 -5.73493432 1.01163452 -2.3036826 -0.40089236 -5.7681716 -4.05178227 -2.46805944 -3.89496478 0.50435249 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.3169999999E-8 2.9459999999E-8 6.587E-8 1.4729999999E-7 3.294E-7 7.365E-7 0.0000016469999999 0.0000036819999999 0.000008234 0.000018409999999 0.00004117 0.00009206 61445-50-9 12472902 144209574 A A 2,3',4,4'-Tetrahydroxybenzophenone Oc1ccc(cc1O)C(=O)c2ccc(O)cc2O Tox21_202376 -NCGC00259020-01 196706714 tox21-ror-cho-viability-p1 set1 4 3.85356902 0.65720272 0 3.04175923 1.73019817 1.48587165 0.89864826 -5.8305057 1.01157213 11.44806111 0.0343132 -1.73157935 0.9672439 0.95860296 -3.82737378 1.198E-9 2.6779999999E-9 5.988E-9 1.339E-8 2.994E-8 6.6949999999E-8 1.497E-7 3.347E-7 7.485E-7 0.0000016739999999 0.000003742 0.000008368 0.00001871 0.00004184 0.000093559999999 60207-90-1 43234 144208667 A A Propiconazole Clc1ccc(c(Cl)c1)C3(Cn2ncnc2)OCC(CCC)O3 Tox21_201469 -NCGC00259730-01 196706715 tox21-ror-cho-viability-p1 set1 4 -10.31644959 -5.12675377 -11.05417327 -15.24284795 -12.82577892 -7.03552628 -5.27903629 -7.18473454 -10.61878016 -8.38708357 5.9368581 -10.1118968 -5.82810543 -3.61806991 -13.8375844 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.386E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 108-68-9 7948 144209379 A A 3,5-Dimethylphenol Cc1cc(O)cc(C)c1 Tox21_202181 -NCGC00259350-01 196706722 tox21-ror-cho-viability-p1 set1 4 27.5561300424 -17.8476487919 4 -13.8476487919 1.3987170999 0.6220097682 0.08183096 3.03685359 8.55895517 2.6836621 -0.7588554 5.89104502 2.57684692 1.46304652 1.65201157 1.67890405 14.26327237 3.87136064 -1.00083853 -4.00822585 -4.95145071 -12.37304066 1.189E-9 2.66E-9 5.9469999999E-9 1.3299999999E-8 2.973E-8 6.649E-8 1.487E-7 3.3239999999E-7 7.4339999999E-7 0.000001662 0.0000037169999999 0.0000083109999999 0.000018579999999 0.00004156 0.00009292 1724-39-6 15595 144208999 A A Cyclododecanol OC1CCCCCCCCCCC1 Tox21_201801 -NCGC00259913-01 196706723 tox21-ror-cho-viability-p1 set1 4 -1.9927067 0.48773505 1.78503349 4.18818213 0.78491814 1.78678558 -1.17430246 -0.48169179 -3.06928873 4.6595609 3.33040016 -0.77263325 -0.00257585 0.39535505 0.69623602 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.476E-7 3.3009999999E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008253 0.00001846 0.00004127 0.000092279999999 104-15-4 6101 144209562 A A 4-Methylbenzenesulfonic acid Cc1ccc(cc1)S(O)(=O)=O Tox21_202364 -NCGC00259346-01 196705905 tox21-ror-cho-viability-p1 set1 4 0.96113598 0.78729962 4.96365643 1.81299866 1.86706747 -0.30336612 2.69400434 0.2836221 1.47723996 14.77142724 -0.32905008 0.98889608 1.44674842 1.5240562 -0.00909385 1.193E-9 2.667E-9 5.963E-9 1.333E-8 2.982E-8 6.6669999999E-8 1.491E-7 3.3339999999E-7 7.4539999999E-7 0.0000016669999999 0.0000037269999999 0.0000083339999999 0.00001864 0.00004167 0.00009318 69806-40-2 50896 144208995 A A Haloxyfop-methyl O=C(OC)C(C)Oc1ccc(cc1)Oc2ncc(cc2Cl)C(F)(F)F Tox21_201797 -NCGC00178220-05 196705495 tox21-ror-cho-viability-p1 set1 4 1.01956443 0.71762061 -0.08051018 0.17290822 1.44470461 0.61993782 1.26018188 -5.70322972 0.84867824 0.74919184 0.60403622 0.18112293 0.84105651 -0.84505982 -0.88555475 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68-89-3 522325 170465672 C Dipyrone [Na+].[O-]S(=O)(=O)CN(C)C=2C(=O)N(c1ccccc1)N(C)C=2C Tox21_110759_1 -NCGC00165973-02 196705498 tox21-ror-cho-viability-p1 set1 4 33.4914596268 8.8391663921 0.1608336079 9 4.9549173134 0.4515741665 0.2263396293 0.31055786 2.13109737 -1.99978507 -4.03263866 -2.8495559 2.61076288 0.16898557 1.18649228 1.34433227 3.36842712 -2.3294533 1.89485036 -1.40886304 1.06170727 7.59943247 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 96-27-5 7291 170466830 F 1-Thioglycerol OCC(O)CS Tox21_112276_1 -NCGC00253637-01 196705503 tox21-ror-cho-viability-p1 set1 4 0.0021131682 8.660611156 -5.660611156 3 4.9549173134 0.5710875329 0.1197397704 -0.92154015 -10.13384263 4.68613602 2.14230621 0.97743759 3.96167543 0.45085993 2.05778331 5.21911097 4.6310902 2.1391335 3.98878867 2.11080188 5.44696121 3.45980875 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 114772-53-1 145512 170466769 F A 4'-Methylbiphenyl-2-carbonitrile Cc1ccc(cc1)c2ccccc2C#N Tox21_113764 -NCGC00259002-01 196705913 tox21-ror-cho-viability-p1 set1 4 -0.53487659 7.84676659 1.61839241 5.08915607 5.88857917 0.27890159 3.3693726 -0.63516156 6.11486986 20.21634169 0.54655444 0.48768718 -0.00007598 0.21815746 -6.13947864 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.952E-8 6.6E-8 1.476E-7 3.3E-7 7.379E-7 0.0000016499999999 0.00000369 0.0000082499999999 0.000018449999999 0.00004125 0.000092239999999 34014-18-1 5383 144208649 A A Tebuthiuron CC(C)(C)c1nnc(s1)N(C)C(=O)NC Tox21_201451 -NCGC00257496-01 196718881 tox21-ror-cho-viability-p1 set2 4 -0.72887127 -0.20337343 -0.56163641 0.24328179 0.15869919 4.53507855 0.39335983 4.83180761 4.05266361 -0.27242768 0.43900675 0.11916969 5.47798853 2.62783638 4.87571917 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 115-77-5 8285 144213878 A A Pentaerythritol OCC(CO)(CO)CO Tox21_303573 -NCGC00256869-01 196718472 tox21-ror-cho-viability-p1 set2 4 -1.88894528 -1.8031295 -1.31185811 -1.14439044 0.48822701 -0.01538505 5.18327007 1.14021666 -1.04653801 2.02668356 -0.76270119 -1.50603359 0.25179067 -1.20293449 -1.01359208 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-46-2 7193 144212778 A F Isopentyl benzoate CC(C)CCOC(=O)c1ccccc1 Tox21_302461 -NCGC00256450-01 196718474 tox21-ror-cho-viability-p1 set2 4 -0.15734219 -0.28955336 2.00058117 3.04706368 3.22992089 -2.64082498 -3.69039015 -3.2822242 0.34907867 -0.55758718 -2.43804583 -6.47789199 0.09762453 -4.00257354 -6.26432365 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-84-8 7583 144213094 A Ac Diphenyl oxide c1ccccc1Oc2ccccc2 Tox21_302777 -NCGC00257143-01 196718481 tox21-ror-cho-viability-p1 set2 4 -0.41681078 1.27427747 0.1588934 1.79644421 0.4905133 5.21866201 2.32287792 10.48483512 4.23703616 6.47194731 5.96430457 -0.48230866 1.42476011 1.61106278 1.64441906 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 35367-38-5 37123 144213455 A A Diflubenzuron Clc2ccc(NC(=O)NC(=O)c1c(F)cccc1F)cc2 Tox21_303138 -NCGC00163927-04 196718889 tox21-ror-cho-viability-p1 set2 4 -0.57941984 -0.83529847 -4.68151987 2.85451324 2.86967287 -5.29153451 -1.50670473 -3.79877591 -5.30141167 -5.89294865 4.4189642 -3.51484616 -1.7801786 -3.0323821 -1.24754826 1.203E-9 2.6889999999E-9 6.014E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003759 0.000008404 0.000018789999999 0.00004202 0.000093959999999 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00256442-01 196718897 tox21-ror-cho-viability-p1 set2 4 1.63937975 0.58625974 1.2887456 -1.85482152 2.01626961 -2.08465734 -11.75582569 -5.68725206 3.07135814 1.78788811 -6.38551917 0.89275475 -1.26017143 -1.00744306 -10.40602498 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 427-51-0 9880 144213258 A A Cyproterone acetate CC(=O)[C@@]4(OC(C)=O)CC[C@H]3[C@@H]5C=C(Cl)C2=CC(=O)[C@@H]1C[C@@H]1[C@]2(C)[C@H]5CC[C@@]34C Tox21_302941 -NCGC00164631-05 196717672 tox21-ror-cho-viability-p1 set2 -2.4 33.4914596268 -25.755541156 -3.83834148 -29.593882636 3.9899729863 0.8064760181 0.006964244 -3.97792734 -9.12980084 -7.54408359 -6.76026315 -0.6986179 -5.34554006 -0.80821856 -2.25468936 -2.05566186 -1.50148612 -5.72481941 -3.84562964 -2.62337568 -7.30517044 -23.82823553 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 341031-54-7 60196290 170465289 A Sunitinib malate O=C(O)C(O)CC(=O)O.CCN(CC)CCNC(=O)C1C(C)=C(N=C1C)/C=C2/c3cc(F)ccc3NC2=O Tox21_112249_1 -NCGC00091602-02 196716428 tox21-ror-cho-viability-p1 set2 4 12.0484564248 -7.2942703159 -0.5 -7.7942703159 1.8851180601 0.396394573 0.2767221998 0.89303541 -0.0832356 0.97319656 1.69516971 0.0689615 1.00289464 1.33624955 -10.66189193 -0.90582101 0.3304298 1.16658684 -0.71702156 -9.3878468 -4.99071046 -7.55989663 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00247711-01 196716823 tox21-ror-cho-viability-p1 set2 4 -2.07077984 -2.46367074 2.24029537 -2.5775419 -3.07518884 -8.31613365 -0.71045481 1.96260177 -4.41213988 -2.72712418 0.75747542 0.8523294 -1.16103783 0.90021065 -3.68633209 1.1609999999E-9 2.5969999999E-9 5.8069999999E-9 1.299E-8 2.9039999999E-8 6.493E-8 1.4519999999E-7 3.246E-7 7.259E-7 0.000001623 0.000003629 0.000008116 0.000018149999999 0.000040579999999 0.000090739999999 57-43-2 2164 144206419 A A Amobarbital O=C1NC(=O)NC(=O)C1(CCC(C)C)CC Tox21_112866 -NCGC00015833-15 196717664 tox21-ror-cho-viability-p1 set2 4 -0.16468329 -0.89056216 0.2851523 1.98867887 2.19572415 2.88883533 3.65120427 5.05535924 0.860275 2.67292636 3.42238019 1.46529029 1.99526542 0.27673959 1.8575908 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98-96-4 1046 170464703 F Pyrazinamide NC(=O)c1cnccn1 Tox21_110237_1 -NCGC00015080-08 196717673 tox21-ror-cho-viability-p1 set2 4 -1.2257465 0.22848346 -1.86489104 -0.09731956 0.2055982 -5.57622503 -1.88067954 -5.80265253 -2.70712715 -0.3965503 -0.46845328 0.16386757 -1.92915235 -0.23359983 0.98520575 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52-88-0 657381 170465893 D Methylatropine nitrate C[N+]2(C)[C@H]1C[C@@H](C[C@@H]2CC1)OC(=O)C(CO)c3ccccc3.[O-][N+]([O-])=O Tox21_110735_1 -NCGC00016328-08 196718077 tox21-ror-cho-viability-p1 set2 4 0.421632496 29.083303812 -17.083303812 12 0.2 0.5968466808 0.0992916455 -13.44819869 -6.99108872 -8.33307822 -10.83571867 -0.16647822 -16.73608651 -2.76599128 -1.29597929 -0.38294834 -0.76539617 -1.86032359 -2.05093377 0.64739529 1.7268517 7.7405121 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83-07-8 2151 170466661 B Ampyrone O=C2C(N)=C(C)N(C)N2c1ccccc1 Tox21_113352_1 -NCGC00164633-02 196718080 tox21-ror-cho-viability-p1 set2 4 26.6032120037 -18.355744668 -0.5 -18.855744668 1.6258976909 0.6577192605 0.0599989101 1.97014876 -1.96762236 -2.10146945 -5.64135147 -0.35115088 -5.01097292 3.81783825 0.005202 2.25605691 1.19968914 1.44594602 0.85435684 -5.8437931 -6.49722287 -14.04645389 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63675-72-9 4499 170465320 A Nisoldipine CC=1NC(C)=C(C(C=1C(=O)OCC(C)C)c2ccccc2[N+]([O-])=O)C(=O)OC Tox21_112251_1 -NCGC00091586-02 196726384 tox21-ror-cho-viability-p1 set3 4 -2.2025987 -3.52092966 -3.12617035 -7.65330195 2.23721384 -1.45248017 0.3500715 -6.13615752 -3.92600287 -14.87793984 0 -3.4036361 -4.30382795 -4.30770082 -2.71201148 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.042E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00016698-06 196725977 tox21-ror-cho-viability-p1 set3 4 0.0943917582 5.3433438639 -5.8433438639 -0.5 4.9549173134 0.5030632765 0.1939973342 -2.53424899 -11.11945322 -3.12086624 -5.639852 -5.50914568 -5.09242924 -6.11571034 2.87029043 -4.23554877 -0.57250423 3.23878855 -0.2814666 -2.37722798 -0.46326964 -7.04242605 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13187-06-9 5702167 170466169 A Pimethixene maleate O=C(O)/C=C\C(=O)O.CN1CC\C(CC1)=C2/c4ccccc4Sc3ccccc23 Tox21_111354_1 -NCGC00344562-01 196725984 tox21-ror-cho-viability-p1 set3 4 1.50512624 3.88811857 0.02824896 1.80474267 3.88394954 1.69139254 7.75435925 3.31291441 11.69910027 7.61170553 4.51937032 6.67632078 -2.24687504 9.25765346 12.99906024 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57470-78-7 42373 170465958 A Celiprolol hydrochloride Cl.CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(c1)C(C)=O Tox21_112722_1 -NCGC00094811-06 196725990 tox21-ror-cho-viability-p1 set3 4 3.54078526 2.24097766 6.85431543 6.79598346 4.15635576 1.15264383 0.65650026 6.3048877 6.27867609 6.98967003 1.12648989 3.14971442 4.68196094 1.36929682 3.6393677 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64092-48-4 16220118 170466073 A Sodium zomepirac [Na+].Cc2cc(CC([O-])=O)n(C)c2C(=O)c1ccc(Cl)cc1 Tox21_111006_1 -NCGC00256870-01 196726389 tox21-ror-cho-viability-p1 set3 4 2.60599402 0.92145756 -5.09567867 0.12342425 -0.99808755 -4.4080218 -0.61826211 0.31392965 0.27809893 -5.99351806 1.48340222 -5.78928919 -4.01051212 -6.15328087 0.15216866 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 28069-72-9 5362833 144212791 A A trans-2,cis-6-Nonadien-1-ol CC\C=C/CC\C=C\CO Tox21_302474 -NCGC00357030-01 196724386 tox21-ror-cho-viability-p1 set3 4 5.92056683 1.8189915 6.25369188 -4.37178021 7.39166041 2.37075079 -4.11922319 4.08403386 -3.083325 0.00542049 2.08919793 0.19935853 0.66398969 2.45810077 7.15559221 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2235-43-0 16697 251919702 Fns [Nitrilotris(methylene)]tris-phosphonic acid pentasodium salt [Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)(O)CN(CP(=O)([O-])[O-])CP([O-])([O-])=O Tox21_303716 -NCGC00357161-01 196711661 tox21-ror-cho-viability-p1 set2 2.4 76.9588215421 29 3 32 0.8999999999 0.743066937 0.0217149391 4.21012965 2.4514389 0.00187066 2.09531163 2.59693775 3.03203113 5.31138449 7.88702846 4.9744637 4.59658039 7.14348294 1.29087543 5.10342644 11.70882533 23.65263724 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-97-7 8027 251919652 A Pyrrole c1cccn1 Tox21_303910 -NCGC00254349-01 196714121 tox21-ror-cho-viability-p1 set2 4 1.2197151236 -7.464479404 0.5 -6.964479404 0.6 0.474221903 0.2209939893 0.07384438 0.84743588 0.21980087 1.2005502 -0.19992499 -1.76966951 -1.98324237 -1.47608669 -2.65966097 -2.75959276 -3.01398795 -4.3045049 -12.88706617 -1.16647265 -0.10103616 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-30-6 6838 144210891 A B N-Nitrosodiphenylamine O=NN(c1ccccc1)c2ccccc2 Tox21_300574 -NCGC00255055-01 196714132 tox21-ror-cho-viability-p1 set2 4 0.31403633 0.02688162 -0.91521198 -1.27523669 4.01145006 1.63889673 0.03468607 0.2181643 0.99244476 2.98869089 0.10049927 2.66387007 0.02623268 2.72857499 1.6311707 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1072-71-5 2723630 144211474 2,5-Dimercapto-1,3,4-thiadiazole Sc1nnc(S)s1 Tox21_301157 -NCGC00091902-08 196714549 tox21-ror-cho-viability-p1 set2 4 0.26911666 0.01904762 0.80614439 0.08551082 1.04747401 2.31092208 2.42772298 0.15419577 1.34953816 3.10599317 1.88427205 1.21114568 0.8704145 2.30813637 3.35846568 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00357059-01 196711241 tox21-ror-cho-viability-p1 set2 4 -7.63912849 -3.80650265 -14.66428773 -55.10766463 -8.28666302 -4.39772766 -28.79639916 -14.44510815 0 0 -13.02638202 -38.68423652 -5.86344085 -17.82329697 -18.21701238 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1885-14-9 15891 251919790 F Phenyl carbonochloridate O=C(Cl)Oc1ccccc1 Tox21_303763 -NCGC00159417-06 196711646 tox21-ror-cho-viability-p1 set2 -2.1 55.7594848687 -88.5848228681 2.007292827 -86.5775300411 1.59358881 0.9339441841 0.0000377717 -0.37925303 1.81127311 4.33803382 3.94075128 3.70303587 0.35360919 0.11866421 3.09427418 3.1961879 1.11387894 2.52886259 -0.47354511 -21.81958901 -20.66698703 -65.58903791 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00357063-01 196711655 tox21-ror-cho-viability-p1 set2 -1.4 27.3060203028 -49.2681531832 -5.072625346 -54.3407785292 4.9549173134 0.9133770209 0.0679827149 -7.83180746 -8.68185319 -5.59205282 -8.32836711 -8.68598151 0 -3.73753789 -6.95342726 -42.63523102 -11.56912912 -1.62398337 0 0 -55.72625346 -49.76680877 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51200-87-4 62010 251919705 Fns 4,4-Dimethyloxazolidine CC1(C)COCN1 Tox21_303770 -NCGC00260371-01 196712071 tox21-ror-cho-viability-p1 set2 4 -2.08345874 -27.39678433 -12.16533593 -7.58052656 -5.17168855 -5.76598521 -7.65977883 -12.95703284 -15.75777322 -33.29541057 -9.10291803 0 -3.16279316 -3.42026605 -17.18952679 2.954E-10 6.6049999999E-10 1.477E-9 3.303E-9 7.385E-9 1.651E-8 3.6929999999E-8 8.257E-8 1.8459999999E-7 4.128E-7 9.231E-7 0.000002064 0.0000046159999999 0.00001032 0.000023079999999 3508-00-7 19022 144210023 Fns Heptadecane,1-bromo- BrCCCCCCCCCCCCCCCCC Tox21_202825 -NCGC00090789-02 196712074 tox21-ror-cho-viability-p1 set2 2.4 61.130564862 34.2631337239 -0.2631337239 34 2.3531167061 0.9544372939 0.0000050801 -1.44898402 0.91057058 0.13215863 -1.43370611 -0.73900026 -1.88594477 0.61576394 -1.00060182 0.13215054 0.3572858 -0.49621384 0.4207027 5.47660238 7.07363912 25.34083762 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00263447-01 196712479 tox21-ror-cho-viability-p1 set2 4 8.4126743008 -8.8123489239 -0.5 -9.3123489239 3.5117481694 0.4834951442 0.2121152864 2.39785583 1.42471529 1.6915296 1.30162928 -4.5939556 -3.89394131 -4.97036685 2.54628395 -0.69532543 -3.13308213 1.81974133 -1.14074883 -5.67189684 -9.01029077 -1.96490584 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 481-06-1 221071 170465728 A alpha-Santonin O=C1C=C[C@]2(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3C2=C1C Tox21_110445_1 -NCGC00177986-02 196712480 tox21-ror-cho-viability-p1 set2 1.1 3.2629448023 75.2361065484 -1.4125209314 73.823585617 4.9549173134 0.9911481357 4E-10 0.16146572 -1.10095222 0.32607899 -6.89341294 -0.03709321 1.43523863 -0.396969 -5.8364157 0.21610365 -0.78991273 1.59407709 1.97447311 64.18553933 70.43503427 75.91509513 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 70458-95-6 119525 170466290 Ac Pefloxacin CN1CCN(CC1)c2cc3N(CC)C=C(C(=O)O)C(=O)c3cc2F.CS(=O)(=O)O Tox21_111458_1 -NCGC00018215-06 196712483 tox21-ror-cho-viability-p1 set2 4 0.0133331902 -10.4964937359 9.5 -0.9964937359 4.9549173134 0.9261024377 0.0000692756 10.87187787 7.78669779 8.88301313 10.35390428 2.21850169 -0.93045432 -0.45182414 0.06122619 0.07003567 -4.16374478 -1.41661931 -0.65201063 -1.59617017 -1.63144146 1.02807189 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 34381-68-5 441307 170465309 A Acebutolol hydrochloride Cl.CC(C)NCC(O)COc1ccc(cc1C(C)=O)NC(=O)CCC Tox21_110633_1 -NCGC00094619-06 196712490 tox21-ror-cho-viability-p1 set2 4 0.49186364 -1.41946394 -2.5848633 -1.74614903 -0.01397483 0.03601608 -2.32424422 -3.06127609 -0.12887057 1.6860807 2.08323134 1.21085081 -2.16340985 2.94857476 6.30618963 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 982-57-0 656833 170465429 D Chloramphenicol sodium succinate [Na+].O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](COC(=O)CCC([O-])=O)NC(=O)C(Cl)Cl Tox21_113484_1 -NCGC00357093-01 196703892 tox21-ror-cho-viability-p1 set1 -2.4 27.3060203028 -34.948255616 0.5 -34.448255616 0.8999999999 0.8681305507 0.0012390266 -0.1796817 -0.2289575 0.88513639 -0.12475979 -0.38405133 0.54205281 1.37634358 1.96743984 -0.79866692 -5.95498676 2.31080355 -16.43602614 -9.94938973 -18.85816193 -27.45687968 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2682-20-4 39800 251919715 A 2-Methyl-3(2H)-isothiazolone O=C1C=CSN1C Tox21_303814 -NCGC00259634-01 196706761 tox21-ror-cho-viability-p1 set1 4 0.0034516126 -14 15 1 0.3 0.4540705692 0.2221431391 7.57391514 13.27914863 5.75310083 5.60107429 6.97054473 4.07379482 1.25926176 0.73743335 7.32827171 8.5282787 0.40463636 1.04575625 3.8554823 0.54001155 0.22913433 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004136 0.00009247 142-84-7 8902 144209283 FNS Dipropylamine CCCNCCC Tox21_202085 -NCGC00259322-01 196706763 tox21-ror-cho-viability-p1 set1 4 8.00285266 -0.94846636 2.02707382 3.80848901 8.34707907 -0.36728586 -0.65650059 1.68793885 3.35864617 0 1.91559728 -0.08750714 2.24405778 -1.04987211 0.15464937 1.2009999999E-9 2.6849999999E-9 6.0039999999E-9 1.3419999999E-8 3.002E-8 6.712E-8 1.501E-7 3.356E-7 7.505E-7 0.0000016779999999 0.0000037519999999 0.00000839 0.00001876 0.00004195 0.00009381 116-16-5 8303 144208971 Hexachloroacetone ClC(Cl)(Cl)C(=O)C(Cl)(Cl)Cl Tox21_201773 -NCGC00259866-01 196706769 tox21-ror-cho-viability-p1 set1 4 3.28485268 4.65155517 1.87143457 7.1403969 -1.34611741 0.59694363 0.87845623 3.95982713 -20.05313234 -0.43276272 -1.77120945 1.45689044 -12.64692126 1.14725224 -0.08263806 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-80-9 289 144209515 A A Catechol Oc1ccccc1O Tox21_202317 -NCGC00164168-02 196703455 tox21-ror-cho-viability-p1 set1 4 -4.9539992 -4.69847347 -6.72880584 -2.36943965 1.05345242 -2.67882076 -2.83924168 -0.90736041 0.44674914 -6.58824745 -2.49424589 -3.08320712 1.69571053 -2.98782708 -9.22289081 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00260588-01 196703462 tox21-ror-cho-viability-p1 set1 4 -1.62411 -2.81971598 -5.90280782 2.6191257 -8.01754892 0.37563023 2.42899173 -1.78900947 1.39849065 -4.16109541 1.10918418 -4.08770546 -3.32375152 -0.30591285 0.01063954 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49484 144210241 M M NTP Mix37 CT1 2-EQP Tox21_203043 -NCGC00357159-01 196703890 tox21-ror-cho-viability-p1 set1 4 5.29015668 0.0409259 2.92169397 5.61307458 -0.67598658 3.26972041 -2.06096665 -1.54956029 -1.95858189 -0.22025978 2.31783594 1.66098504 1.23678349 3.10369963 5.15817486 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6117-91-5 20024 251919917 A But-2-en-1-ol CC=CCO Tox21_303907 -NCGC00357235-01 196703895 tox21-ror-cho-viability-p1 set1 4 -4.79888211 -2.87784246 0.66253642 2.9243323 1.43926302 -4.17833522 -5.39157054 -2.30860775 -0.81135223 0.4769199 2.11250279 -7.99562273 -0.58218182 1.41510854 0.99682732 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-26-4 7644 251919828 A Methyl cinnamate O=C(C=Cc1ccccc1)OC Tox21_304025 -NCGC00016315-06 196704291 tox21-ror-cho-viability-p1 set1 4 -0.82499309 -0.71006037 -2.21736495 -3.65609673 0.09717923 -2.53656666 -1.37763897 -2.86690159 -0.5316034 -1.41251317 -0.53927716 -2.90695502 1.23670037 1.48266976 2.15197867 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77-04-3 4994 170466442 A Pyrithyldione CCC1(CC)C(=O)C=CNC1=O Tox21_110368_1 -NCGC00163157-05 196704294 tox21-ror-cho-viability-p1 set1 -3 29.8492948118 -58.8956725185 1.5365631585 -57.35910936 4.5044702849 0.9363983255 0.0000309012 1.54728848 1.45388139 -2.84323685 5.1326177 0.39582411 0.73544409 1.12928565 3.47093632 3.74896369 -0.01931174 8.96947903 0.52875342 -6.92689848 -6.68046954 -50.2992578 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5588-33-0 4078 170465272 A Mesoridazine CS(=O)c2cc3N(CCC1CCCCN1C)c4ccccc4Sc3cc2 Tox21_110052_1 -NCGC00181301-01 196704715 tox21-ror-cho-viability-p1 set1 4 0.13237493 2.29163534 6.310081 1.24010515 2.78826809 0.09493578 0.13416962 -1.81482018 4.22584966 0.62266386 -1.74054401 1.82202054 -0.09789501 -1.21402831 -2.20113838 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77-90-7 6505 144206330 A A Acetyl tributyl citrate CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC Tox21_112777 -NCGC00160449-04 196704720 tox21-ror-cho-viability-p1 set1 4 -6.74712293 -4.81323368 2.2723954 -4.29962218 0.67750719 -0.72231676 -4.71710952 -3.94586202 1.2279408 0.19366966 -4.10892004 -0.49790292 -2.53715376 -5.31168598 1.36474001 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17969-20-9 28858 170466565 A Fenclozic acid O=C(O)Cc1csc(n1)c2ccc(Cl)cc2 Tox21_111819_1 -NCGC00092362-02 196705123 tox21-ror-cho-viability-p1 set1 4 37.5780357627 -10.9117077599 0.5 -10.4117077599 4.9549173134 0.629988049 0.0784235968 0.0251446 2.09982108 0.69998499 0.43444695 2.81434533 0.97119914 -2.85038085 3.49872989 2.34414568 0.27113409 -1.12540918 -0.67335588 -0.8048513 1.11656576 -7.8430898 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112108-01-7 107930 170466462 A Ecopipam Oc3cc4[C@@H]1[C@H](CCc2ccccc12)N(C)CCc4cc3Cl Tox21_111197_1 -NCGC00159374-03 196705541 tox21-ror-cho-viability-p1 set1 4 1.65323074 0.90910702 -0.33193774 2.2117991 1.44139841 2.31909675 0.13206112 1.32631317 0.33352966 0.64674282 -5.61729727 0.38639577 1.17658161 7.02043064 0.82520002 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 302-17-0 2707 170465484 F Chloral hydrate ClC(Cl)(Cl)C(O)O Tox21_111614_1 -NCGC00015691-06 196723340 tox21-ror-cho-viability-p1 set3 4 26.6032120037 31.465797936 2.534202064 34 0.3 0.4743770621 0.2015559693 5.51747377 4.17243724 9.1495289 9.28842141 4.93647779 -2.47149828 9.51921212 0.09067916 8.72671656 16.10841653 18.02757932 16.96356249 11.39507695 9.55992796 25.39252425 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 156-57-0 9082 170466795 F Cysteamine hydrochloride Cl.NCCS Tox21_111245_1 -NCGC00091519-09 196722502 tox21-ror-cho-viability-p1 set3 4 0.2984929481 -11.442252952 2.5 -8.942252952 2.8472712143 0.4946736686 0.1998203385 -6.99012451 4.09705394 -0.80038341 -0.34641869 -1.37166602 12.87629873 11.34565626 -3.91647397 -2.37771923 -12.45187746 -8.56204521 -10.60097952 -6.91408975 -6.53704386 5.16155886 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 106-44-5 2879 170465495 F p-Cresol Cc1ccc(O)cc1 Tox21_113445_1 -NCGC00015204-09 196723319 tox21-ror-cho-viability-p1 set3 4 0.084126743 -41.2053778919 20 -21.2053778919 0.3 0.6050453389 0.0930602474 14.17099227 14.44949657 12.26323407 -1.20764792 11.26416818 -4.54004267 -5.49616656 9.81265431 -9.96547135 -14.980313 -14.54410888 7.41870685 -11.42435377 -14.55521357 -23.08781491 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 154-93-8 2578 170464880 A Carmustine O=C(NCCCl)N(CCCl)N=O Tox21_110097_1 -NCGC00164506-02 196723341 tox21-ror-cho-viability-p1 set3 -1.1 9.4391758155 -80.125940745 3.524178019 -76.601762726 2.5334283767 0.9766031307 1.172E-7 4.29613404 0.75267371 -0.7498619 1.48651632 1.72136899 2.25543794 -0.86374472 -1.02228724 6.1885743 10.71851117 10.40870508 -5.24529543 -36.63597581 -62.11478152 -78.79792845 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5541-67-3 71208 170466440 A Tiliquinol Oc1ccc(C)c2cccnc12 Tox21_112142_1 -NCGC00090701-06 196723738 tox21-ror-cho-viability-p1 set3 4 -5.67266614 -3.4779877 0.64394147 0.55957823 1.2704164 5.62279448 9.40025857 -3.59659999 7.03087345 2.96434171 6.98569659 -9.24523302 -0.77321867 -0.58388359 -4.69578157 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00260578-01 196723750 tox21-ror-cho-viability-p1 set3 4 -12.96883572 -9.36165234 -9.18908739 -12.64199072 -4.71336702 -9.44599131 -10.3016502 -8.46758471 -2.29879517 -3.41374412 -9.17933024 -10.40626074 -11.31515103 -0.77774836 -1.98451468 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49474 144210231 M M NTP Mix55 CT1 3-EQP Tox21_203033 -NCGC00260482-01 196723755 tox21-ror-cho-viability-p1 set3 4 -3.59632379 4.01472608 1.7611731 0.52242504 4.37324623 5.96495353 7.97071041 6.74631083 11.90501225 8.02620451 9.75402893 -4.37030149 -2.39033851 1.78054807 10.1697292 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.331E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 609-15-4 11858 144210134 F I Ethyl 2-chloroacetoacetate O=C(C)C(Cl)C(=O)OCC Tox21_202936 -NCGC00015897-08 196697540 tox21-ror-cho-viability-p1 set1 4 2.99923968 4.40278806 1.75304898 -2.04464064 1.27474161 -0.61645582 -3.26156626 -1.60210234 -2.24446109 -0.21258906 -3.55090963 -3.43413814 -1.36635865 0.45722094 -0.03839527 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 95635-55-5 56959 170465435 A Ranolazine OC(CN1CCN(CC1)CC(=O)Nc2c(C)cccc2C)COc3ccccc3OC Tox21_110258_1 -NCGC00183012-01 196697515 tox21-ror-cho-viability-p1 set1 4 -1.11012669 2.16199665 0.32810432 -0.40053331 0.43706481 2.20455994 1.83043772 -0.89994904 0.22140422 0.9930005 -1.04613027 1.86501262 0.66131669 4.47849276 0.24573484 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1766-91-2 4726 144206843 A A Penflutizide FC(F)(F)c1cc2NC(NS(=O)(=O)c2cc1S(N)(=O)=O)CCCCC Tox21_113292 -NCGC00253622-01 196697518 tox21-ror-cho-viability-p1 set1 4 1.13902231 -0.16687334 1.48816488 -3.73726718 -3.80731382 -2.87415238 -0.85992011 12.9044442 -3.06449029 -1.81144388 -1.55630899 1.55670715 -4.52346726 -1.70118158 0.12264899 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56718-70-8 92515 170466737 F A 2,3-Epoxypropyl 4-(2-methoxyethyl)phenyl ether COCCc2ccc(OCC1CO1)cc2 Tox21_113752 -NCGC00261976-01 196697533 tox21-ror-cho-viability-p1 set1 4 -0.74685705 0.88366785 -1.01449916 1.92221218 -1.08551048 0.36098212 0.31782876 1.12172741 -1.70296826 0.92720681 6.1786273 0.29403248 1.33977397 1.29902293 7.42636102 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 120081-14-3 65938 170466626 I Fns Goralatide OC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(C)=O Tox21_113896 -NCGC00274073-01 196697551 tox21-ror-cho-viability-p1 set1 4 -0.36763581 2.82593377 1.08907866 -0.23769347 0.5867869 0.47556891 -4.65742231 0.81111296 0.26449332 0.54847122 2.10763573 1.3300888 1.68080639 0.01492565 0.19485935 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1188-38-1 121396 170466164 A N-Carbamyl-L-glutamic acid O=C(N)N[C@@H](CCC(=O)O)C(=O)O Tox21_112544_1 -NCGC00015619-13 196717798 tox21-ror-cho-viability-p1 set2 4 0.4730794415 11.07169572 -6.57169572 4.5 1.55794881 0.6107584327 0.1030680404 -0.01315065 -0.31394932 -14.2264131 -5.91280518 -11.51183848 -6.53156963 -6.17338802 -3.39716182 -3.22753272 2.13080964 2.05601788 6.88068011 1.45359495 5.75448111 -15.58705743 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79794-75-5 3957 170464867 A Loratadine Clc3cc4CCc1cccnc1C(=C2/CCN(CC2)C(=O)OCC)\c4cc3 Tox21_110185_1 -NCGC00256782-01 196718198 tox21-ror-cho-viability-p1 set2 4 0.0611305649 11.398454832 -3.898454832 7.5 0.2 0.3704996215 0.320758102 -1.99871236 -0.84604317 4.46563292 2.51909212 -1.28887555 0.8381298 1.52194619 7.00345548 2.24981318 2.91786676 4.08433358 1.76250342 3.06908266 8.14316688 -0.95557022 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 13851-11-1 107217 144212888 A Ac Fenchyl acetate CC(=O)OC2C(C)(C)C1CCC2(C)C1 Tox21_302571 -NCGC00256330-01 196718197 tox21-ror-cho-viability-p1 set2 4 0.4327712569 6.759728444 -4.759728444 2 4.9549173134 0.59707774 0.0996279588 -4.87362996 0.00134532 -5.18951623 -4.8820359 -1.95812638 -8.96644037 -8.11629262 -3.92360115 3.6796565 -2.72606448 2.84401619 5.3005625 0.07037911 0.08716619 5.22266923 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10030-73-6 5282745 144213293 A A (E)-Hexadec-9-enoic acid O=C(O)CCCCCCC\C=C\CCCCCC Tox21_302976 -NCGC00258643-01 196716148 tox21-ror-cho-viability-p1 set2 4 4.01216436 0.26989767 1.26109334 2.97298516 2.69200715 5.00497903 0.23589065 3.44051606 1.47421517 3.81979793 -0.4511631 -1.05187285 -1.1124134 3.07552253 2.74309911 1.2009999999E-9 2.687E-9 6.007E-9 1.3429999999E-8 3.0039999999E-8 6.7169999999E-8 1.5019999999E-7 3.358E-7 7.509E-7 0.000001679 0.0000037549999999 0.000008396 0.000018769999999 0.000041979999999 0.00009387 99-94-5 7470 144208289 A A 4-Methylbenzoic acid Cc1ccc(cc1)C(O)=O Tox21_201091 -NCGC00257978-01 196715742 tox21-ror-cho-viability-p1 set2 4 1.9350842458 -11.845439012 1 -10.845439012 4.9549173134 0.888718746 0.0005507564 4.78213394 -1.67015243 -0.99299766 1.56101124 0.86456472 1.44830832 0.42517827 -0.38547101 0.61689921 -2.20545074 -12.12082643 -8.56151647 -10.91944554 -8.59191756 -14.45453251 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004127 0.00009229 71-48-7 6277 144207622 Fns Cobalt(II) acetate [Co+2].[O-]C(C)=O.[O-]C(C)=O Tox21_200424 -NCGC00257669-01 196715743 tox21-ror-cho-viability-p1 set2 4 3.22924663 3.73139394 0.24405803 -0.1196424 5.98350894 -0.54932734 0.32882886 -0.40156479 0.08669336 -0.89398844 0.13821673 -1.6250478 0.04950951 3.80982331 3.84416973 1.167E-9 2.6109999999E-9 5.837E-9 1.305E-8 2.919E-8 6.5259999999E-8 1.459E-7 3.2629999999E-7 7.297E-7 0.0000016319999999 0.000003648 0.0000081579999999 0.000018239999999 0.000040789999999 0.000091209999999 6742-54-7 23194 144207313 AC Fns 1-Phenylundecane CCCCCCCCCCCc1ccccc1 Tox21_200115 -NCGC00257668-01 196716144 tox21-ror-cho-viability-p1 set2 4 1.6202032 0.977896 -0.08554986 1.9835622 3.15166433 4.47563851 1.06052076 -0.11037458 3.44297973 -1.66853551 0.16900695 0.49735192 -3.59581496 0.22017288 -0.13306799 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.679E-8 1.493E-7 3.3389999999E-7 7.467E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004174 0.00009334 14433-76-2 26690 144207312 A A N,N-Dimethyldecanamide CN(C)C(=O)CCCCCCCCC Tox21_200114 -NCGC00258247-01 196716153 tox21-ror-cho-viability-p1 set2 4 58.097189829 11.6013226599 -1.6013226599 10 3.6772481694 0.5226926441 0.160401209 -2.73779657 -1.48197457 -4.90049779 -7.58443555 -0.07686453 0.38853212 1.05535402 -1.20745058 -0.99541349 -1.54122856 -0.23482116 -1.57298089 2.24588489 0.4940227 7.94322033 1.131E-9 2.528E-9 5.6529999999E-9 1.264E-8 2.8269999999E-8 6.321E-8 1.413E-7 3.1599999999E-7 7.0669999999E-7 0.00000158 0.000003533 0.000007901 0.00001767 0.0000395 0.000088329999999 76180-96-6 53462 144207891 A A 2-Amino-3-methyl-3H-imidazo[4,5-f]quinoline Nc3nc2c(ccc1ncccc12)n3C Tox21_200693 -NCGC00258033-01 196716158 tox21-ror-cho-viability-p1 set2 4 5.05201398 2.21179563 1.87252682 2.16650862 2.9377508 4.65979773 1.04469501 0.6389068 3.20850652 1.88218354 0.52578549 1.13384854 1.46165397 2.4549999 2.42449324 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.3529999999E-7 0.0000016439999999 0.0000036769999999 0.000008221 0.000018379999999 0.00004111 0.00009192 7529-22-8 82029 144207677 A 4-Methylmorpholine 4-oxide [O-][N+]1(C)CCOCC1 Tox21_200479 -NCGC00163774-04 196716561 tox21-ror-cho-viability-p1 set2 4 1.04462774 2.80099753 1.75903443 1.7703268 2.39575824 2.5733808 0.25986545 3.14367666 3.79318349 -9.71689105 1.4867918 -0.91644559 1.2636954 -0.53782226 0.77468658 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00257913-01 196716576 tox21-ror-cho-viability-p1 set2 4 79.9423196808 15.046588892 -2.046588892 13 4.9549173134 0.7380726262 0.0237134456 -1.48595911 -3.12309915 -3.75821073 -4.62215741 0.03614959 -2.01965198 -3.44410466 -2.49796634 -4.04796175 -0.5079121 -1.9714268 -0.51644063 1.64749747 -2.64401312 9.18178037 1.218E-9 2.723E-9 6.0889999999E-9 1.361E-8 3.044E-8 6.807E-8 1.522E-7 3.4039999999E-7 7.611E-7 0.000001702 0.000003805 0.000008509 0.00001903 0.00004255 0.000095129999999 762-75-4 61207 144207557 FC tert-Butyl formate CC(C)(C)OC=O Tox21_200359 -NCGC00166260-03 196716979 tox21-ror-cho-viability-p1 set2 4 -0.44858356 0.33486895 0.76762936 -1.24040445 5.45552981 4.09408546 -0.42616121 -1.34744699 -0.58002132 0.38408758 1.08561297 0.88733609 -0.78340039 -0.77891894 5.88130949 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3896-11-5 62531 170466547 F Bumetrizole CC(C)(C)c1cc(C)cc(c1O)n2nc3ccc(Cl)cc3n2 Tox21_112379_1 -NCGC00016011-14 196716981 tox21-ror-cho-viability-p1 set2 4 0.52668136 2.38762425 1.69483926 1.79005966 3.55110732 4.82897281 0.95575142 2.66620426 2.98821428 2.14688862 5.27461207 0.30167871 4.60635465 0.37452063 0.34960834 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-67-2 5610 170466815 Z Tyramine Oc1ccc(CCN)cc1 Tox21_110282_1 -NCGC00015496-08 196725725 tox21-ror-cho-viability-p1 set3 4 3.92067614 1.78402029 -1.0337602 0.61088275 -3.05280169 -0.18244881 8.02372927 6.40184259 12.90462698 6.84266752 3.47856498 3.74430824 2.87137764 -1.91246616 6.97542202 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60-26-4 3604 170465837 F N,N,N,N',N',N'-Hexamethylhexane-1,6-diaminium C[N+](C)(C)CCCCCC[N+](C)(C)C Tox21_112036_1 -NCGC00256850-01 196726903 tox21-ror-cho-viability-p1 set3 4 -0.02134282 1.2748652 1.46081729 0.09417017 -1.66273941 -0.86758951 -4.50952284 -0.03792177 -2.59991035 -3.51973433 -0.11682418 -2.46258354 -5.25412078 0.37388331 -2.49808832 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 16587-71-6 27941 144212777 A A 4-(tert-Pentyl)-cyclohexanone CCC(C)(C)C1CCC(=O)CC1 Tox21_302460 -NCGC00253750-01 196726145 tox21-ror-cho-viability-p1 set3 4 3.61117676 2.82767596 2.21802072 -1.76665511 3.31923745 5.38923464 6.42237139 6.07441457 7.40925448 1.62502556 2.67604493 3.20043175 6.36984771 7.84765744 3.30111625 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66304-03-8 68862 170466558 A F Epicainide CCN3CCCC3CNC(=O)C(O)(c1ccccc1)c2ccccc2 Tox21_113865 -NCGC00274279-01 196725719 tox21-ror-cho-viability-p1 set3 4 1.87914574 0.20849021 1.36335246 -5.85072074 -1.18798102 -0.822865 0.47400611 -0.49707842 4.3552525 0.52920864 1.00882737 0.10725801 -6.86481512 1.34868055 1.88517881 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 89371-44-8 129109 170466100 A F Imidaprilat OC(=O)C2CN(C)C(=O)N2C(=O)C(C)NC(CCc1ccccc1)C(=O)O Tox21_113982 -NCGC00094916-06 196726125 tox21-ror-cho-viability-p1 set3 4 0.0066824247 -5.1137178639 4.5 -0.6137178639 4.4494702849 0.3540279368 0.3184124732 1.59068551 -0.77226474 12.74214781 1.32517238 1.17169523 -2.05349452 0.01506774 -1.18322661 -1.96193029 -2.17809822 -0.46945109 -0.87051345 -0.78788224 -0.26722799 0.47959116 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 40828-46-4 5359 170465412 A Suprofen O=C(c1ccc(cc1)C(C)C(=O)O)c2cccs2 Tox21_110643_1 -NCGC00256979-01 196726541 tox21-ror-cho-viability-p1 set3 4 0.5448267328 -7.003578764 -2 -9.003578764 4.9549173134 0.5668071769 0.1228678773 -5.16578229 -1.8119615 -1.61044803 -6.71226358 -2.15240739 -2.79226959 -1.51035254 0.5893406 -9.15989702 -11.9152244 -12.91964897 -7.82949332 -3.38117618 -7.34641852 -9.67045171 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-70-6 7104 144213600 A A 3-Hydroxy-2-naphthoic acid O=C(O)c1cc2ccccc2cc1O Tox21_303283 -NCGC00163953-03 196726550 tox21-ror-cho-viability-p1 set3 -3 72.7253077472 -73.6821830862 1.9395061449 -71.7426769413 4.9549173134 0.9902821095 7E-10 -1.60823832 1.39626816 0.40548201 0.34812164 3.87441921 2.46681748 2.66690681 2.19769502 3.04775931 0.44311588 3.44252034 2.07373133 3.79216464 -3.18054175 -57.33545789 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.000019359999999 0.00004328 0.000096779999999 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00091044-02 196726555 tox21-ror-cho-viability-p1 set3 4 -0.66304026 0.30972466 -1.90509447 0.64295778 -4.45706591 -19.08147677 -22.11286544 -5.02710289 -0.87422674 0 -1.7413274 -0.14657672 -5.28051437 -5.59245471 -8.9836113 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.165E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00257357-01 196726563 tox21-ror-cho-viability-p1 set3 4 1.3708374085 -8.589997428 1.5 -7.089997428 4.9549173134 0.6951414051 0.0405787583 -0.69164328 -0.69985268 0.97398629 0.47059892 6.18208936 -1.04777553 7.22038729 -0.5866639 -1.11491817 0.91670052 -9.65833119 -5.42093203 -6.24957785 -6.9756735 -7.19526642 7.314E-10 1.636E-9 3.657E-9 8.1779999999E-9 1.829E-8 4.089E-8 9.1429999999E-8 2.0439999999E-7 4.571E-7 0.000001022 0.000002286 0.000005111 0.000011429999999 0.00002556 0.00005714 129453-61-8 104741 144213958 F F Fulvestrant FC(F)(F)C(F)(F)CCCS(=O)CCCCCCCCC[C@@H]2Cc1cc(O)ccc1[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@H]23 Tox21_303656 -NCGC00257391-01 196726962 tox21-ror-cho-viability-p1 set3 4 54.4826732819 -12.8933921279 1 -11.8933921279 2.8472712143 0.5964573856 0.1006027006 -0.64147256 -2.96589646 1.73624501 -1.1736259 -1.49810999 -0.41709097 1.36021422 2.08260719 4.94873062 3.8111128 5.40337394 0.02543457 0.84475959 -3.01098262 -9.49449344 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2440-22-4 17113 144213883 A A 2-(2H-Benzotriazol-2-yl)-4-methylphenol Cc1cc(c(O)cc1)n2nc3ccccc3n2 Tox21_303578 -NCGC00256505-01 196726964 tox21-ror-cho-viability-p1 set3 4 0.1087072248 6.625240796 -6.125240796 0.5 3.9294729863 0.6134806691 0.1016752753 -0.90075314 -8.38754334 -2.27700694 -8.85436733 -7.91523158 -8.65284797 1.08612323 2.41968044 1.70018725 -0.36128661 1.22416812 -2.17968879 -1.23058179 1.81683004 -12.69791705 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-51-4 4650 144213287 F Ac 1,4-Benzoquinone O=C1C=CC(=O)C=C1 Tox21_302970 -NCGC00257181-01 196726966 tox21-ror-cho-viability-p1 set3 4 5.99584438 -0.8376738 -0.40810032 1.93199894 1.79534644 2.64651784 -2.10557425 4.11264741 -1.20245364 -0.50723894 0.136121 3.68699158 -2.07590156 3.14962648 -0.73850181 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 28804-88-8 11317 144213457 Z Fns Dimethylnaphthalene Cc1c2ccccc2ccc1C Tox21_303140 -NCGC00257087-01 196726969 tox21-ror-cho-viability-p1 set3 4 -0.99664701 0.56702108 2.75372642 1.73058516 1.37662335 1.30879216 3.15311938 0.54737736 3.01965579 2.28533187 2.19880264 -0.18219693 2.96649943 7.78846325 2.9385964 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-67-1 6547 144213494 F 2,2'-Azobis(2-methylpropanenitrile) N#CC(C)(C)/N=N/C(C)(C)C#N Tox21_303177 -NCGC00163906-02 196723270 tox21-ror-cho-viability-p1 set3 4 6.1130564862 -5.012845924 -0.5 -5.512845924 2.3331733767 0.4067639514 0.2864127216 -2.59181753 -1.41225783 -0.57208805 -0.61723759 -1.61779919 0.99332443 -1.43884833 2.28089547 -3.1389943 4.89671098 -4.19610582 -3.02341476 -4.66342934 -5.84403827 1.68226025 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00167744-02 196723273 tox21-ror-cho-viability-p1 set3 4 -1.13490972 0.67523281 1.14953399 0.58480975 -2.56523765 0.22272579 -3.29430934 -0.4688618 -6.53894169 -3.57360224 -2.04910872 -0.5416455 -6.66124211 -1.82677258 5.31435659 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3575-80-2 15387 170466288 A Methylperone Fc1ccc(cc1)C(=O)CCCN2CCC(C)CC2 Tox21_112583_1 -NCGC00166200-02 196722860 tox21-ror-cho-viability-p1 set3 2.4 26.6032120037 35.497554416 0.002445584 35.5 1.78848746 0.7788192265 0.0120346539 0.25664322 -0.19897155 6.80659638 -0.35320258 4.85331684 1.90749168 -2.96634721 -2.926292 -9.16462868 -3.48311674 0.5642066 4.20106263 6.59006871 10.21713042 27.36540064 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 116-52-9 8313 170466125 F Dichloralurea ClC(Cl)(Cl)C(O)NC(=O)NC(O)C(Cl)(Cl)Cl Tox21_112344_1 -NCGC00015116-13 196722871 tox21-ror-cho-viability-p1 set3 4 0.26603212 8.6786249199 -2.6786249199 6 4.9549173134 0.4712501516 0.2046910092 6.31599148 3.6205621 -8.23432911 -4.01497133 -8.8988541 2.38392077 -5.39945538 -7.00842353 6.90789919 7.64880712 6.06173302 3.11240853 2.89513752 6.56328756 6.54028999 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72432-10-1 2196 170465854 A Aniracetam O=C2CCCN2C(=O)c1ccc(OC)cc1 Tox21_110086_1 -NCGC00164127-07 196723277 tox21-ror-cho-viability-p1 set3 4 7.4978038628 -13.293832068 5 -8.293832068 4.9549173134 0.5155973893 0.1814358377 2.07176922 2.09090683 9.28728942 -0.99631458 1.31645529 1.39727901 5.41870821 2.43873329 13.20375773 7.26192252 4.91435101 9.55054649 -6.02479428 -7.32819339 3.47809647 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 140-66-9 8814 170465157 Z 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_112084_1 -NCGC00183096-01 196723282 tox21-ror-cho-viability-p1 set3 2.4 26.6032120037 30.5101613361 0.9898386639 31.5 4.4494702849 0.8840646725 0.0006695986 4.2949052 1.09957884 1.13777978 1.32681893 4.04496051 4.38321659 0.47617291 -0.56684132 -1.0146005 -3.30748459 3.18335046 0.00526709 -5.00846778 9.02630312 29.18271074 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 147816-23-7 6918126 144206464 I I Cefcapene pivoxil hydrochloride Cl.Nc1scc(n1)\C(=C\CC)C(=O)N[C@@H]3C(=O)N2C(=C(COC(N)=O)CS[C@@H]23)C(=O)OCOC(=O)C(C)(C)C Tox21_112911 -NCGC00095043-07 196723684 tox21-ror-cho-viability-p1 set3 4 0.2371013766 -11.2464144959 4.5 -6.7464144959 4.9549173134 0.6344202639 0.0736755132 9.99729803 2.36894955 5.23571154 -3.45322983 12.70287682 2.4592547 -1.14196192 5.20886482 -7.01817924 -5.95327795 -7.54695179 -4.89823437 -10.62201208 -6.13796982 -3.26969811 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 319-89-1 5424 170466433 Bc Tetroquinone OC=1C(=O)C(O)=C(O)C(=O)C=1O Tox21_111400_1 -NCGC00016000-13 196724101 tox21-ror-cho-viability-p1 set3 -1.2 0.5575948487 -22.5448485272 4 -18.5448485272 4.5044702849 0.8044051533 0.0072312406 -2.05805663 3.33525115 6.63276862 4.55826984 5.10335586 6.01693266 4.22095237 2.4777098 -13.30440589 -17.85392306 -14.01645129 -12.29994215 -15.17755397 -15.46020934 -35.67401292 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00260245-01 196724102 tox21-ror-cho-viability-p1 set3 4 0.1223437234 -7.00691808 6.5 -0.50691808 4.9549173134 0.4202898054 0.2530231118 -3.06336877 6.97625619 7.39006461 7.6368871 11.24616372 7.69286551 0.96730324 -4.42588487 3.09106537 -4.5890984 5.00331667 -0.29657813 -3.98168767 -1.11765407 2.75511143 1.183E-9 2.644E-9 5.913E-9 1.322E-8 2.9569999999E-8 6.611E-8 1.4779999999E-7 3.306E-7 7.3909999999E-7 0.0000016529999999 0.000003696 0.0000082639999999 0.00001848 0.00004132 0.00009239 872-90-2 12038941 144209895 A A 1-Ethylpyridinium iodide [I-].CC[n+]1ccccc1 Tox21_202697 -NCGC00253757-01 196697945 tox21-ror-cho-viability-p1 set1 4 -1.25068718 0.51779674 -3.08741388 -1.52218593 -0.88247934 -2.10966005 -1.67101729 -3.92580732 0.8690789 -6.22536234 -4.5747287 -1.80745154 -2.28711922 0.5205573 -1.13026255 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 124-28-7 15365 170466566 Fc Fns N,N-Dimethyl-1-octadecanamine CN(C)CCCCCCCCCCCCCCCCCC Tox21_113870 -NCGC00095196-06 196698365 tox21-ror-cho-viability-p1 set1 4 0.09076691 0.07972549 2.21793163 0.27026503 1.79290296 1.82207327 -5.67319689 4.30428888 2.49522544 1.34770597 4.56568568 5.50302332 1.06910993 5.0974781 0.76737332 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27591-97-5 5475 170466150 A Tilorone CCN(CC)CCOc2ccc3c1ccc(cc1C(=O)c3c2)OCCN(CC)CC Tox21_111484_1 -NCGC00090942-03 196720685 tox21-ror-cho-viability-p1 set3 -2.1 48.5577336745 -92.9281952962 -2.978247951 -95.9064432472 2.4063783767 0.9688342966 6.023E-7 -6.66815098 -1.63713725 -4.99278458 -7.12063384 -2.54314133 -1.48042912 -6.57012886 -5.24904018 -0.09686155 -2.61930407 -2.12341193 -2.5697334 -0.35474427 -44.29446303 -78.71700246 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00254266-01 196719856 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -64.7309291908 -3.772403174 -68.5033323648 4.9549173134 0.9101214864 0.0001878832 -11.47039035 -13.99197226 -3.27064493 -0.77906047 -4.46093699 -6.46889519 0.97535526 -0.05347651 -0.21046008 0.52070517 -3.61625073 -4.09496444 -2.31236633 -6.12779804 -56.74867648 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-74-9 60196414 144210903 F Chlordane ClC2=C(Cl)C3(Cl)[C@H]1CC(Cl)[C@H](Cl)[C@H]1[C@@]2(Cl)[C@]3(Cl)Cl Tox21_300586 -NCGC00254589-01 196720268 tox21-ror-cho-viability-p1 set3 -3 15.3553036427 -69.4313536086 -3.035252841 -72.4666064496 3.1319983358 0.8564235001 0.0045485584 0 -16.24808428 -6.37602274 -1.45908708 -4.98268737 -2.82462406 -2.53537373 -1.10539469 0.09364073 -3.25901603 0.45358413 -1.92259143 -54.89894428 6.98228013 10.89957275 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25606-41-1 15575641 144210998 A A Propamocarb hydrochloride Cl.O=C(NCCCN(C)C)OCCC Tox21_300681 -NCGC00254056-01 196720269 tox21-ror-cho-viability-p1 set3 4 35.814492114 13.765916768 -4.765916768 9 0.5 0.509542372 0.1712743443 -7.12995704 -4.70780616 -3.09027529 -0.89689803 -0.81377784 -8.55493064 -7.41118075 -5.4131619 0.83666979 0.53858231 -3.43209501 -0.31407188 0.24106438 0.2603502 6.17277964 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 121-69-7 949 144210356 AC F N,N-Dimethylaniline CN(C)c1ccccc1 Tox21_300036 -NCGC00254525-01 196720691 tox21-ror-cho-viability-p1 set3 4 -0.19645464 1.17960561 1.20920947 3.46640628 13.39832219 0.02813348 1.20579209 -6.98016812 -7.12646149 0.24470123 -5.23179122 18.01154195 -4.84754027 12.50380863 5.44690204 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2385-85-5 16945 144210909 Mirex ClC53C1(Cl)C4(Cl)C2(Cl)C1(Cl)C(Cl)(Cl)C5(Cl)C2(Cl)C3(Cl)C4(Cl)Cl Tox21_300592 -NCGC00259165-01 196721082 tox21-ror-cho-viability-p1 set3 4 -4.35670115 6.29877874 -6.19309202 -1.94341248 0.24614147 1.9189538 -1.04150536 1.06932318 0.76705309 -1.71947151 0.49867603 5.72932617 -3.07031526 6.06188444 6.6109222 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.759E-8 1.511E-7 3.38E-7 7.557E-7 0.00000169 0.0000037789999999 0.000008449 0.00001889 0.00004225 0.00009447 111-46-6 8117 144208814 A F Diethylene glycol OCCOCCO Tox21_201616 -NCGC00259878-01 196721085 tox21-ror-cho-viability-p1 set3 4 27.4727179077 11.99530376 -4.99530376 7 4.9549173134 0.8163365838 0.0056043997 -5.08532464 -4.02518448 -0.61749164 -3.52477713 -5.9501232 -8.3294198 -6.29322104 -6.42943324 -7.20897899 -3.95057008 -5.3043088 -4.65860473 -4.17949528 7.70449829 5.36989189 1.1859999999E-9 2.651E-9 5.929E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008286 0.00001853 0.000041429999999 0.00009264 98-51-1 7390 144209527 AC Ac 4-tert-Butyltoluene Cc1ccc(cc1)C(C)(C)C Tox21_202329 -NCGC00163903-03 196721090 tox21-ror-cho-viability-p1 set3 4 -11.05996461 -5.44005843 -9.43529585 -1.81151781 -5.95746209 -7.23856447 -10.23575021 -5.86852871 -5.46062769 -2.42102785 -5.51227058 -6.2889123 -6.0874505 -5.74584058 -2.8813926 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00259697-01 196721488 tox21-ror-cho-viability-p1 set3 4 -8.33719614 -7.32904203 -4.07592657 -1.04893234 -5.86070053 -8.68361152 -2.47083427 -8.05839008 -13.1703451 2.6332993 -6.74822321 -9.58363378 -4.02593547 -4.95332184 -0.58031236 1.162E-9 2.599E-9 5.812E-9 1.2999999999E-8 2.9059999999E-8 6.4979999999E-8 1.453E-7 3.249E-7 7.265E-7 0.000001624 0.000003632 0.000008122 0.00001816 0.00004061 0.000090809999999 13547-70-1 83572 144209346 D 1-Chloro-3,3-dimethyl-butan-2-one CC(C)(C)C(=O)CCl Tox21_202148 -NCGC00163818-04 196721880 tox21-ror-cho-viability-p1 set3 4 7.3148128947 -16.74016162 -3.750587888 -20.490749508 0.5 0.6478114649 0.0656575477 -6.23578084 -6.16871265 -4.51925542 -1.5647169 -4.57246937 -6.50984585 -8.05225174 -7.67316034 -7.29723944 -1.45882324 -14.07829335 -17.33993895 -13.97608594 -11.65152254 -18.32562459 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00259757-01 196721890 tox21-ror-cho-viability-p1 set3 4 30.980905983 12.376972096 -10.376972096 2 4.9549173134 0.4645035762 0.2109875231 -15.68835825 -9.63034745 -7.4398291 -4.40865351 -7.73754795 -14.63111258 -7.89464228 -16.98081008 -15.01345757 -2.17964003 -7.36233669 -14.4816277 -11.24020242 -0.2055385 2.47724127 1.191E-9 2.663E-9 5.955E-9 1.332E-8 2.977E-8 6.6579999999E-8 1.489E-7 3.3289999999E-7 7.4429999999E-7 0.0000016639999999 0.0000037219999999 0.000008322 0.00001861 0.000041609999999 0.00009304 112-70-9 8207 144209406 A A 1-Tridecanol CCCCCCCCCCCCCO Tox21_202208 -NCGC00259881-01 196721508 tox21-ror-cho-viability-p1 set3 4 -5.05326453 -0.37774172 0.6953356 6.09606722 -6.69009557 -7.78353463 -7.23118855 -6.44863353 -6.58715261 -2.83812989 -4.55389837 -3.36508004 -2.62393462 2.30771797 4.27374709 1.193E-9 2.6679999999E-9 5.967E-9 1.3339999999E-8 2.9829999999E-8 6.671E-8 1.4919999999E-7 3.3359999999E-7 7.458E-7 0.000001668 0.0000037289999999 0.000008339 0.00001865 0.000041689999999 0.00009323 4065-45-6 19988 144209530 A A Sulisobenzone OS(=O)(=O)c1cc(c(O)cc1OC)C(=O)c2ccccc2 Tox21_202332 -NCGC00257964-01 196730560 tox21-ror-cho-viability-p1 set3 4 1.15681827 1.14202578 -0.3191905 2.50709455 0.13174033 0.52304744 -4.46106986 0.22431029 2.44488646 5.43392022 3.10104758 0.56162823 1.5461449 2.21678974 -0.22914803 1.21E-9 2.7049999999E-9 6.048E-9 1.352E-8 3.024E-8 6.7619999999E-8 1.512E-7 3.381E-7 7.561E-7 0.000001691 0.00000378 0.0000084529999999 0.0000189 0.00004226 0.00009451 74-95-3 3024 144207608 FC Dibromomethane BrCBr Tox21_200410 -NCGC00258028-01 196730155 tox21-ror-cho-viability-p1 set3 4 -0.98658614 3.6198232 1.75726641 0.56319916 2.08779753 0.96030327 2.05718214 -1.80241989 -0.24297439 -0.64770327 1.89107965 4.23652203 -0.07692373 1.12087985 -2.04910357 1.148E-9 2.568E-9 5.7419999999E-9 1.284E-8 2.8709999999E-8 6.4199999999E-8 1.436E-7 3.21E-7 7.1779999999E-7 0.0000016049999999 0.000003589 0.000008025 0.00001794 0.000040119999999 0.00008972 1603-41-4 15348 144207672 A A 5-Methylpyridin-2-amine Cc1cnc(N)cc1 Tox21_200474 -NCGC00257762-01 196730158 tox21-ror-cho-viability-p1 set3 4 1.43171516 -0.85500432 -0.07924016 0.37149711 -0.2679875 0.88695516 -1.36135234 -6.48360027 0.88518564 0.35869504 1.03379773 0.54074782 -0.28878202 0.61254052 0.88935123 1.162E-9 2.598E-9 5.8089999999E-9 1.299E-8 2.905E-8 6.495E-8 1.4519999999E-7 3.247E-7 7.2619999999E-7 0.000001624 0.0000036309999999 0.000008119 0.000018149999999 0.00004059 0.000090769999999 54143-56-5 41022 144207406 A A Flecainide acetate CC(=O)O.FC(F)(F)COc2cc(C(=O)NCC1CCCCN1)c(OCC(F)(F)F)cc2 Tox21_200208 -NCGC00257753-01 196730559 tox21-ror-cho-viability-p1 set3 4 0.92662018 0.31675935 -1.01751439 -5.32238853 0.97208625 0.0601494 0.32908261 0.23107343 0.5155298 0.67685418 0.17713909 -1.19192945 -1.01555771 2.24092072 -1.70554455 1.152E-9 2.576E-9 5.7609999999E-9 1.288E-8 2.8809999999E-8 6.4409999999E-8 1.44E-7 3.221E-7 7.2009999999E-7 0.00000161 0.000003601 0.000008051 0.000018 0.00004026 0.00009002 4640-01-1 627458 144207397 A A Methyl triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1OC Tox21_200199 -NCGC00258683-01 196730563 tox21-ror-cho-viability-p1 set3 4 1.62053957 0.05569859 1.15989798 1.69367768 3.42131102 3.32278616 1.70000677 1.02136533 5.5855355 5.17466998 1.93347826 0.4444565 2.02964863 -1.42023071 -1.00567223 1.2049999999E-9 2.695E-9 6.0249999999E-9 1.347E-8 3.013E-8 6.737E-8 1.506E-7 3.368E-7 7.5319999999E-7 0.0000016839999999 0.000003766 0.000008421 0.000018829999999 0.0000421 0.00009415 51-66-1 5827 144208329 A A N-(4-Methoxyphenyl)acetamide COc1ccc(NC(C)=O)cc1 Tox21_201131 -NCGC00256544-01 196707445 tox21-ror-cho-viability-p1 set1 4 0.0000067765 -38.34655991 -24.67827412 -13.27286015 -7.8153913 -3.8573553 -6.98082579 -2.32404657 -3.26248137 -0.95747739 1.12977833 1.2695172 -2.98647318 -2.95924562 -1.18465171 2.69877856 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 142-46-1 2724564 144213344 A 2,5-Dithiobiurea NC(=S)NNC(N)=S Tox21_303027 -NCGC00257032-01 196707020 tox21-ror-cho-viability-p1 set1 -2.2 68.5896218971 -42.563219818 -3.5 -46.063219818 3.5117481694 0.9057429243 0.0002398617 -2.57816085 -0.77052553 -1.39638039 -1.05900409 -7.92373952 -6.40477197 -7.81807079 -4.16692172 -0.97561488 -5.35466592 -3.09798051 1.00941791 -2.61698642 -10.08425324 -34.89637865 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-72-4 7573 144213519 A C N-Isopropyl-N'-phenyl-p-phenylenediamine CC(C)Nc1ccc(cc1)Nc2ccccc2 Tox21_303202 -NCGC00256418-01 196707024 tox21-ror-cho-viability-p1 set1 -2.1 34.3762428541 -76.048416489 -14.948775051 -90.99719154 1.331 0.9395561347 0.0000235052 -7.03697796 -17.19352485 -9.78431409 -16.39025249 -12.46526139 -24.10158555 -14.7201467 -13.06366866 -22.88016016 -12.57236806 -17.24671301 -29.66979632 -36.84921519 -54.02582929 -77.08099295 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-56-9 2771871 144213174 F F (2Z)-2,3-Dichloro-4-oxobut-2-enoic acid O=CC(\Cl)=C(\Cl)C(=O)O Tox21_302857 -NCGC00256378-01 196707038 tox21-ror-cho-viability-p1 set1 4 -12.78915679 -15.28938321 -14.02546228 -15.30386912 -15.24847373 -17.28080128 -18.5153347 -17.84118255 -16.71485185 -17.56561956 -17.21695569 -18.10973265 -14.82672875 -18.22636958 -16.82595439 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1917-15-3 74710 144213144 A A 5-Methyl-2-furancarboxylic acid O=C(O)c1ccc(C)o1 Tox21_302827 -NCGC00256527-01 196707446 tox21-ror-cho-viability-p1 set1 4 68.5896218971 18.27446576 -2.27446576 16 4.9549173134 0.7969944787 0.0085788132 -1.30091477 -1.65605118 -2.75320602 -2.57324026 -2.61957355 -7.3120548 -0.70571414 -1.64867433 -3.21966839 -0.48019371 -0.54789662 -1.11647359 0.63413818 -2.64631749 12.56854004 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-80-0 2206 144213343 A A Phenazone O=C2C=C(C)N(C)N2c1ccccc1 Tox21_303026 -NCGC00256592-01 196707447 tox21-ror-cho-viability-p1 set1 4 -0.74960038 -0.51935418 -0.26887088 -1.07419718 0.31976155 0.52241338 1.25468588 -0.93068126 0.38089262 1.45477782 1.26727557 7.1498933 1.43187416 1.12445431 6.33057305 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-85-3 8142 144213265 F Fns 1-Chlorooctane CCCCCCCCCl Tox21_302948 -NCGC00257373-01 196707451 tox21-ror-cho-viability-p1 set1 4 0.0019331182 13.539468644 -12.039468644 1.5 4.9549173134 0.7326277942 0.0255041929 -10.86622387 -0.73282452 2.36431055 2.26440383 3.58465453 3.78698721 -1.39689444 3.42547564 3.01897616 0.66126175 -2.39616593 -1.22318605 2.1263737 0.86161338 0.25105406 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 626-43-7 12281 144213874 A A 3,5-Dichloroaniline Nc1cc(Cl)cc(Cl)c1 Tox21_303569 -NCGC00256792-01 196707860 tox21-ror-cho-viability-p1 set1 4 0.66975452 2.86234183 -2.80586873 -7.62063701 1.48689369 0.84572805 -3.30134668 -5.72210573 -3.12033223 0.47109377 0.34966495 1.30225514 5.12138926 0.87479425 0.66322468 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 28588-74-1 34286 144213026 Fns 2-Methyl-3-furanthiol Cc1occc1S Tox21_302709 -NCGC00090760-08 196707863 tox21-ror-cho-viability-p1 set1 -3 60.7577547203 -54.325360331 4 -50.325360331 3.5722481694 0.9432012812 0.000016841 8.24208844 -0.45615792 0.75368664 5.9205757 3.2905752 8.65499599 4.70946397 -0.77093708 7.18718845 4.70607132 2.63587372 2.95433456 3.80756953 -7.23540037 -39.96912364 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00258579-01 196701657 tox21-ror-cho-viability-p1 set1 4 1.42636287 -7.04160457 1.4460378 2.96884394 -12.05141001 -2.69837353 -11.27249326 -7.80463803 2.33417175 -4.85195962 -3.39604106 2.9448438 -3.941637 -11.31840477 -9.19074036 1.219E-9 2.725E-9 6.093E-9 1.3619999999E-8 3.046E-8 6.8119999999E-8 1.5229999999E-7 3.406E-7 7.616E-7 0.000001703 0.000003808 0.000008515 0.000019039999999 0.000042579999999 0.0000952 109-99-9 8028 144208224 FNS Tetrahydrofuran C1CCCO1 Tox21_201026 -NCGC00258507-01 196701648 tox21-ror-cho-viability-p1 set1 4 53.100471956 10.004543288 -7.504543288 2.5 4.9549173134 0.3421370806 0.3288325294 -3.90911414 -4.05984963 -6.82096128 -0.92419777 -11.09475752 -7.85844863 -12.32492798 -14.17045274 -3.97091883 -10.18189683 -7.85909269 -8.07559088 -8.01476843 -5.61455353 1.98386596 1.155E-9 2.583E-9 5.7769999999E-9 1.292E-8 2.8879999999E-8 6.459E-8 1.444E-7 3.229E-7 7.2209999999E-7 0.000001615 0.000003611 0.000008073 0.000018049999999 0.000040369999999 0.00009026 98-08-8 7368 144208152 FNS Benzotrifluoride FC(F)(F)c1ccccc1 Tox21_200954 -NCGC00258715-01 196701651 tox21-ror-cho-viability-p1 set1 4 1.27211587 0.17742485 4.50931497 15.2536424 1.67779894 5.71508838 5.63290389 6.17482931 1.05668247 1.37043989 7.19372242 0.80374958 3.21025927 4.24462068 10.94436526 1.188E-9 2.6549999999E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.639E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001856 0.00004149 0.00009278 620-92-8 12111 144208361 A A Bis(4-hydroxyphenyl)methane Oc2ccc(Cc1ccc(O)cc1)cc2 Tox21_201163 -NCGC00258340-01 196701653 tox21-ror-cho-viability-p1 set1 4 1.26881352 3.50283991 1.1480892 4.07037759 0.2368023 4.06100149 -1.52645045 -1.44392902 4.59777019 -0.75690116 1.29756228 1.73390489 1.84955941 -0.49258602 2.11817456 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004135 0.00009247 13114-72-2 25711 144207984 A A N'-Methyl-N,N-diphenylurea O=C(NC)N(c1ccccc1)c2ccccc2 Tox21_200786 -NCGC00259622-01 196703555 tox21-ror-cho-viability-p1 set1 -3 69.4973960317 -55.5952923839 1.4769561334 -54.1183362505 4.9549173134 0.9591040477 0.0000027762 0.49213346 1.43507009 -4.09475895 1.64413867 0.29401603 0.22197472 0.2866127 0.10873623 2.88916373 1.39828119 6.71616602 0.3500286 4.67676157 -2.00644716 -43.74471131 1.193E-9 2.667E-9 5.9649999999E-9 1.3339999999E-8 2.982E-8 6.669E-8 1.491E-7 3.3339999999E-7 7.456E-7 0.0000016669999999 0.000003728 0.000008336 0.00001864 0.00004168 0.0000932 90-30-2 7013 144209271 A A N-Phenyl-1-naphthylamine c1ccc3ccccc3c1Nc2ccccc2 Tox21_202073 -NCGC00090750-04 196703122 tox21-ror-cho-viability-p1 set1 4 24.6338054114 -17.131209516 4 -13.131209516 0.4 0.6869737864 0.044578629 5.24603125 5.83108141 -1.46872637 5.27342417 3.57073886 3.2809458 -1.9965443 0.25178833 -0.98941319 0.27960125 -0.82108258 0.12041175 -1.49810322 -6.9627199 -9.27600793 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00091351-03 196703542 tox21-ror-cho-viability-p1 set1 4 1.27825636 -2.05323277 1.62704608 -2.98777045 -0.12193398 1.6713741 0.1838271 -1.7872093 -1.34762012 -2.89567613 -0.89426904 0.49449513 -3.0719933 1.014254 -1.77243276 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00258388-01 196703554 tox21-ror-cho-viability-p1 set1 4 6.09128516 -0.62621819 5.54830191 -4.17857004 -11.70626498 -1.51843642 -0.87781892 -2.01399601 0.1572344 -11.69969183 -0.10114858 -2.1749298 -0.50985882 -1.95145364 -7.68269294 1.173E-9 2.622E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.3299999999E-7 0.0000016389999999 0.000003665 0.000008195 0.00001832 0.000040969999999 0.00009162 142-83-6 637564 144208032 FNS (2E,4E)-2,4-Hexadienal C\C=C\C=C\C=O Tox21_200834 -NCGC00260193-01 196703962 tox21-ror-cho-viability-p1 set1 4 -1.41908694 3.52637434 -0.75556721 -1.07853338 -20.23187193 -3.2179733 -1.24435503 -2.36301215 7.68660209 0.14968751 -8.05113316 8.44714145 0.1640495 3.69340358 3.15070861 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.000092909999999 328090-25-1 10636633 144209843 Ac 1-Ethyl-3-methylimidazolium tosylate C[n+]1ccn(CC)c1.[O-]S(=O)(=O)c1ccc(C)cc1 Tox21_202645 -NCGC00357034-01 196703973 tox21-ror-cho-viability-p1 set1 4 -6.10796442 -8.24794731 -4.23061229 -3.7988736 -4.35860325 -6.75241506 -1.09707805 -0.0369214 -0.71931944 -12.65738592 -5.78205705 0.63838529 -8.47662215 -0.80130205 3.40183798 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 1939-36-2 80296 251919701 A Trimethylenediaminetetraacetic acid O=C(O)CN(CCCN(CC(=O)O)CC(=O)O)CC(=O)O Tox21_303722 -NCGC00178815-03 196704388 tox21-ror-cho-viability-p1 set1 4 1.07084129 1.0978371 3.52670439 0.12187445 -0.27907958 -2.01594024 1.66652434 0.07995292 1.26280886 -0.12340748 1.11514272 1.22248071 0.21048593 0.92324885 1.17874681 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64490-92-2 23677829 170465216 F Tolmetin sodium dihydrate [Na+].O.O.O=C([O-])Cc2ccc(C(=O)c1ccc(C)cc1)n2C Tox21_110792_1 -NCGC00091146-04 196704784 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -15.123831272 0.5 -14.623831272 4.0449729863 0.7280357089 0.0272151416 -1.63534409 -1.83602161 0.68870383 1.6778765 1.18218499 6.20888197 0.58705275 -0.14264073 0.74313547 0.69663054 1.1654173 -0.65215279 -0.15599941 -1.06724484 -10.93652606 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00159459-04 196704788 tox21-ror-cho-viability-p1 set1 -1.2 1.333319023 -50.0402602296 -1.366202691 -51.4064629206 1.4780888099 0.9849632667 9.1E-9 -3.29412475 -1.06212726 -5.90906505 0.2722915 0.32235738 -0.11298757 -5.45855895 -0.16355759 -5.32738234 -20.97318165 -30.43890054 -42.01980843 -49.55188152 -53.33966953 -48.42162869 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 128794-94-5 5281078 170464859 A Mycophenolate mofetil Oc3c1C(=O)OCc1c(C)c(OC)c3C\C=C(/C)CCC(=O)OCCN2CCOCC2 Tox21_111686_1 -NCGC00254373-01 196699819 tox21-ror-cho-viability-p1 set1 4 76.8805649772 -11.4338412519 2 -9.4338412519 4.9549173134 0.5718186285 0.1209231151 1.33692474 0.09020047 0.76486402 3.10029648 4.12229558 0.76638639 0.76492233 4.52682217 -0.72039346 -0.78399649 1.61227626 1.57408754 3.85837755 3.24732996 -6.19486771 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 72-20-8 12358480 144210930 A A Endrin ClC1=C(Cl)[C@@]5(Cl)C(Cl)(Cl)[C@]1(Cl)[C@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@H]45 Tox21_300613 -NCGC00253941-01 196699411 tox21-ror-cho-viability-p1 set1 4 -6.0013556 1.95951165 -0.68972046 -3.52500698 -2.90458392 -0.59772911 -1.24362614 2.38735225 -0.10211103 -0.02050837 4.45171551 -4.09424966 0.85983485 0.51115313 -1.10870552 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1143-38-0 2202 144210610 FNS Anthralin Oc2cccc1Cc3cccc(O)c3C(=O)c12 Tox21_300290 -NCGC00254783-01 196699421 tox21-ror-cho-viability-p1 set1 4 61.130564862 9.3354888959 -0.3354888959 9 0.5 0.3302933318 0.3430902295 0.86644007 0.20189326 1.93882628 -4.02957408 -3.19382708 3.00454739 1.8555894 -2.58340307 2.80420208 1.40104484 0.57274931 0.88240087 5.99133973 0.73423909 6.25229837 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123312-89-0 9576037 144211196 A A Pymetrozine CC=2CN(/N=C/c1cccnc1)C(=O)NN=2 Tox21_300879 -NCGC00256913-01 196727441 tox21-ror-cho-viability-p1 set3 4 2.11487078 4.36740519 -2.06631651 3.25653496 -2.01023914 1.76236074 2.43511885 2.5679156 1.77937093 -0.49829017 1.26345471 0.33835224 1.32449229 3.38680848 2.83425645 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 628-97-7 12366 144212822 A Fns Ethyl hexadecanoate O=C(CCCCCCCCCCCCCCC)OCC Tox21_302505 -NCGC00257204-01 196727017 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -12.696644252 1 -11.696644252 4.9549173134 0.7647844541 0.0158387528 -0.94432102 2.40454791 2.77793849 0.50126623 0.81470186 2.19904537 -0.9601369 0.29501333 1.24001104 2.80188382 -0.37500324 1.18391397 -0.79928634 2.26344393 -8.91387021 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1724-39-6 15595 144213513 A A Cyclododecanol OC1CCCCCCCCCCC1 Tox21_303196 -NCGC00256847-01 196727443 tox21-ror-cho-viability-p1 set3 4 -5.11080957 -3.83033723 -5.58127749 -4.87102473 -6.20826813 -6.86864942 -7.64774107 -3.13759826 -5.36340773 -2.30147261 -3.4636735 -0.41702726 0.59695787 -0.606076 -4.34925857 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 32780-64-6 71412 144213042 A A Labetalol hydrochloride Cl.O=C(N)c1cc(ccc1O)C(O)CNC(C)CCc2ccccc2 Tox21_302725 -NCGC00257474-01 196727445 tox21-ror-cho-viability-p1 set3 4 5.03820845 2.20018556 1.12200725 1.50413462 2.6453558 2.39572162 3.51450839 1.22811871 -2.09599147 -2.18386175 -1.62964224 -1.26833941 5.11318261 3.57997006 1.89196674 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 107-18-6 7858 144213815 AC Ac Allyl alcohol C=CCO Tox21_303507 -NCGC00257114-01 196727451 tox21-ror-cho-viability-p1 set3 4 0.0005631643 -36.92387272 -67.47242329 -72.07638913 -30.83996419 -26.58722151 -3.96774859 0.56973009 3.22562452 0.77998946 2.67340989 -0.20507273 -0.20823011 2.33234243 1.62794486 2.96345236 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-56-6 7394 144213578 Fns 1-Chloro-4-(trifluoromethyl)benzene FC(F)(F)c1ccc(Cl)cc1 Tox21_303261 -NCGC00256220-01 196727848 tox21-ror-cho-viability-p1 set3 4 -2.84608416 4.44670743 -1.64335025 -5.22806018 -0.43278289 -3.15858424 -0.80390264 -0.29639406 -3.13498866 -0.97661172 -3.94030505 0.76206251 -0.83929782 -1.65301921 -5.88456205 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 621-07-8 69297 144212318 A A N-Benzyl-N-hydroxy-1-phenylmethanamine ON(Cc1ccccc1)Cc2ccccc2 Tox21_302001 -NCGC00257543-01 196727849 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -99.4413898407 1.1970033639 -98.2443864768 4.9549173134 0.9357622443 0.0000325478 0.95373348 -2.86302106 -3.65142734 -6.99491788 -2.55124115 6.4278599 -0.44726238 4.53775373 -8.1589838 6.55399893 7.67727868 -0.99220285 6.12439076 1.77014796 -80.35268768 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-03-5 31239 144211613 A A Cetylpyridinium chloride [Cl-].CCCCCCCCCCCCCCCC[n+]1ccccc1 Tox21_301296 -NCGC00255981-01 196727851 tox21-ror-cho-viability-p1 set3 4 27.3060203028 13.832171692 -3.832171692 10 4.9549173134 0.5484972247 0.153184249 -0.7960658 -4.98033072 -7.68330514 -0.06705552 -9.44347641 -6.88036729 -7.08660863 -1.36321945 0.26498995 -2.0423297 -1.16368099 -1.4226143 -3.52394367 9.82865406 0.72129537 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 705-86-2 12810 144212195 A F 6-Pentyltetrahydro-2H-pyran-2-one O=C1CCCC(CCCCC)O1 Tox21_301878 -NCGC00090858-02 196727859 tox21-ror-cho-viability-p1 set3 4 3.17292479 -3.35252373 4.72839903 1.78026459 5.51533471 8.92259976 -1.99598624 -2.88575294 -10.06897937 -8.68466586 -8.56074605 -6.380802 -6.03517988 13.92774637 -1.09546129 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00256111-01 196728273 tox21-ror-cho-viability-p1 set3 -1.1 1.3685428777 -82.3265367961 -0.313904678 -82.6404414741 2.7202212143 0.9917570724 3E-10 3.79585841 4.15485829 3.22571888 -2.94638734 -1.6305192 0.47620823 -6.16845412 -8.27414598 -10.66797042 -49.55271538 -81.84221449 -82.09920361 -83.98418849 -82.55590124 -79.25973287 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13331-52-7 16683072 144212112 F A (Acryloyloxy)(tributyl)stannane CCCC[Sn](CCCC)(OC(=O)C=C)CCCC Tox21_301795 -NCGC00255188-01 196728265 tox21-ror-cho-viability-p1 set3 4 27.3060203028 11.5711963839 -1.5711963839 10 4.9549173134 0.7172413103 0.0393070276 -2.66745156 0.15382656 -0.86308155 -1.28113973 -2.21206925 1.72432235 -1.95004144 -4.05643717 0.30073748 -1.45441217 0.30456932 -5.05933032 -0.50301524 9.38061431 0.18520245 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 134308-13-7 4659569 144212731 A A Tolcapone Oc1cc(cc([N+]([O-])=O)c1O)C(=O)c2ccc(C)cc2 Tox21_302414 -NCGC00255370-01 196728267 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -32.765113356 -0.5 -33.265113356 4.9549173134 0.6634558763 0.0563640212 3.1767235 -5.80811861 1.41955797 2.05005978 -6.81608285 -7.09326226 3.81416202 2.73536629 5.5536528 -8.58026005 3.49251503 -1.0344208 -1.84800374 1.666315 -26.05426113 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 75706-12-6 3899 144212190 A A Leflunomide Cc2oncc2C(=O)Nc1ccc(cc1)C(F)(F)F Tox21_301873 -NCGC00095042-06 196711938 tox21-ror-cho-viability-p1 set2 4 81.1251834709 15.991951736 0.008048264 16 4.9549173134 0.5977223681 0.0992750366 2.43317895 3.83515847 -0.92275589 2.55656077 0.56091515 2.51364033 -3.7565511 -4.05433156 2.66083739 -1.40234394 -1.47779179 -1.01081469 0 -4.15995978 13.09391538 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00091650-03 196711526 tox21-ror-cho-viability-p1 set2 4 34.3762428541 20.138870928 -6.138870928 14 1.6258976909 0.6937333416 0.0410591913 -4.10953254 -8.51442297 -9.43012555 -9.86670657 -10.40829881 -10.53239244 0 -3.3001911 -6.13229618 0 -3.920996 -6.38107527 -0.71033192 4.53558405 11.28113978 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00260273-01 196711934 tox21-ror-cho-viability-p1 set2 4 0.8748179215 -11.410825608 -0.5 -11.910825608 4.9549173134 0.5791997264 0.1271319709 1.61339533 -0.347555 -0.62212942 -0.12859409 -0.16806176 -2.29890598 -3.76239195 0 -2.98524033 -25.75902134 -12.93323548 -7.0787801 -11.0289573 -5.02886759 0 1.313E-9 2.9359999999E-9 6.5649999999E-9 1.468E-8 3.283E-8 7.34E-8 1.641E-7 3.67E-7 8.2059999999E-7 0.0000018349999999 0.0000041029999999 0.000009175 0.00002052 0.00004588 0.00010259999999 120-29-6 449293 144209923 A A Tropine CN2[C@H]1CC[C@@H]2C[C@H](O)C1 Tox21_202725 -NCGC00260490-01 196711937 tox21-ror-cho-viability-p1 set2 2.4 48.5577336745 24.117616276 1.882383724 26 0.9999999999 0.8904381335 0.0005115163 -1.76468023 2.63291933 -0.56022331 0.13365865 1.70655311 4.31308463 2.19850707 2.65211843 4.07214642 3.62491121 4.19594801 6.50612057 5.93209613 14.02945534 18.39555075 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 75-55-8 6377 144210142 Fns Propyleneimine CC1CN1 Tox21_202944 -NCGC00260532-01 196712353 tox21-ror-cho-viability-p1 set2 4 -4.80693699 -4.44303496 -9.24527009 -16.4724889 -6.36801018 0 -8.17977636 -33.21117588 -7.13506537 -23.91623306 -30.70617519 0 -16.95252434 -0.15204506 -21.44664275 1.18E-9 2.6389999999E-9 5.9009999999E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.299E-7 7.376E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.0000922 525-82-6 10680 144210185 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_202987 -NCGC00260509-01 196712363 tox21-ror-cho-viability-p1 set2 4 -1.32819323 -0.61436397 -3.44248062 -0.45227472 -5.6461165 -0.89852592 -1.30098666 -1.8620889 -5.98574369 0.33971414 -4.25149365 -0.45477529 -0.66938523 -7.58115255 2.58076878 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 1210-12-4 14586 144210161 A A 9-Cyanoanthracene N#Cc2c3ccccc3cc1ccccc12 Tox21_202963 -NCGC00260661-01 196712366 tox21-ror-cho-viability-p1 set2 -3 13.3331902297 -34.3909362359 1.5 -32.8909362359 2.2526478767 0.7810019304 0.0156318559 1.27724955 0.98807136 2.56477384 2.42913801 2.55564505 1.89921551 2.98465255 1.54129944 3.04761152 -1.37578293 -0.05316832 -9.47031366 -0.03189051 -32.40911353 0.2931408 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49557 144210314 M M NTP Mix27 AR2 2-EQP Tox21_203116 -NCGC00357077-01 196712372 tox21-ror-cho-viability-p1 set2 4 -7.25592122 -4.97958345 -5.38324521 -1.86419707 -2.93790901 -11.35652206 -5.03598035 -11.80350042 -12.49612019 -2.62967394 -8.97631013 -3.48837447 -4.73518159 -1.81782526 0.33699108 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1885-38-7 1550846 251919789 A (2E)-3-Phenylprop-2-enenitrile N#C\C=C\c1ccccc1 Tox21_303789 -NCGC00255914-01 196711139 tox21-ror-cho-viability-p1 set2 4 -1.13034315 0.3715747 -0.49482624 -0.22846587 2.04649258 -0.4815551 -2.77474525 -1.77444026 -2.20593308 -2.22564763 -0.76707833 -1.08693226 0.33837979 0.0156567 3.47817382 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-01-6 3092 144211637 A A Zoalene Cc1c(cc(cc1[N+](=O)[O-])[N+]([O-])=O)C(N)=O Tox21_301320 -NCGC00255480-01 196710723 tox21-ror-cho-viability-p1 set2 4 -4.08496907 -4.49728685 -0.34712304 -2.06235712 -0.46306448 -2.18998028 -2.15190199 -2.29604728 -1.81872821 0.72430367 -0.75483176 1.16260917 -3.27828348 -0.19299952 -1.15466593 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2996-92-1 18137 144211628 F F Trimethoxyphenylsilane CO[Si](OC)(OC)c1ccccc1 Tox21_301311 -NCGC00255377-01 196710725 tox21-ror-cho-viability-p1 set2 4 1.32348115 -2.49287764 0.76954558 -0.76160498 -0.0002239 -0.50388772 0.00504285 -3.52098588 -0.09979045 0.25768815 0.16093833 -2.36655646 1.03065169 0.29059302 2.70356848 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58-85-5 171548 144212478 A A Biotin O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1 Tox21_302161 -NCGC00164077-02 196711127 tox21-ror-cho-viability-p1 set2 4 8.9715265 6.94369684 3.55215489 3.26878323 1.82082087 1.2940461 0.39449239 0.63746471 -0.16605299 1.88825928 1.3289417 -0.08897879 0.79249783 0.69202357 4.00925817 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00256313-01 196711145 tox21-ror-cho-viability-p1 set2 4 76.9588215421 11.423913376 -0.423913376 11 4.9549173134 0.6966958404 0.0409549501 -2.26131963 -0.12465338 0.62038244 -2.02316952 -0.35022558 -0.09115361 1.10987294 -2.43659448 1.29735473 -1.77173257 -0.37156327 -0.82713682 2.40029911 -1.14728509 7.87409014 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 695-34-1 1533 144211914 C A 4-Methylpyridin-2-amine Cc1ccnc(N)c1 Tox21_301597 -NCGC00255771-01 196710131 tox21-ror-cho-viability-p1 set2 -2.4 61.130564862 -37.41040608 -2.5 -39.91040608 2.2526478767 0.9101853648 0.0001880297 -3.07673262 1.07244326 -2.92119899 -5.36095807 -5.15587555 -1.31150783 -5.39651961 -5.50307783 -2.15232133 -0.56881428 -1.33986863 0.61495403 -7.75285164 -13.10987948 -29.9253384 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2934-05-6 18048 144211689 Ac Ac 2,4-Diisopropylphenol CC(C)c1cc(ccc1O)C(C)C Tox21_301372 -NCGC00256150-01 196710120 tox21-ror-cho-viability-p1 set2 4 -1.10973631 2.64597326 0.06011126 -1.43501921 0.58921766 1.80221394 -2.14007803 -2.36838576 5.10049023 -1.84593091 4.32276862 2.73069525 1.55512518 3.85226919 4.72244417 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 37526-59-3 2777208 144212010 F A 2-(Trifluoromethoxy)benzenesulfonamide O=S(N)(=O)c1ccccc1OC(F)(F)F Tox21_301693 -NCGC00255251-01 196710126 tox21-ror-cho-viability-p1 set2 4 3.3162951 -0.67680045 -1.63667827 -0.52050757 -2.12281171 -0.31596698 1.34228427 1.38391503 -1.21692972 -0.37436089 1.23933487 0.91680626 2.11770988 3.54750798 5.61169293 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6264-66-0 80434 144211848 C D 3,4,4'-Triaminodiphenyl ether Nc1ccc(cc1)Oc2ccc(N)c(N)c2 Tox21_301531 -NCGC00255933-01 196710128 tox21-ror-cho-viability-p1 set2 4 0.6985332 0.11856458 -1.82029039 -0.77365832 3.99905768 -0.17964014 0.2986762 -0.14054812 -1.65526516 -0.40230645 -0.66553342 -0.44397869 -0.42365109 -0.90214081 4.06174341 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17781-31-6 28768 144211576 A A Parinol OC(c1ccc(Cl)cc1)(c2cccnc2)c3ccc(Cl)cc3 Tox21_301259 -NCGC00255813-01 196710528 tox21-ror-cho-viability-p1 set2 4 -3.6070076 -0.16827684 -0.17012479 -0.52111703 0.09555865 2.36437749 -1.54469674 -4.82856245 2.2889486 -1.99980668 -3.05638953 -0.56101553 0.09805272 -3.76230998 -0.77638226 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15676-16-1 5355 144212522 F A (RS)-(+/-)-sulpiride CCN2CCCC2CNC(=O)c1cc(ccc1OC)S(N)(=O)=O Tox21_302205 -NCGC00255913-01 196710535 tox21-ror-cho-viability-p1 set2 4 0.1231692 5.53821287 2.22096202 1.00489245 0.91599632 2.42505405 0.56814952 0.98968969 -0.13176182 2.21282626 0.29210623 0.16455252 -0.2864767 1.3484025 2.40781825 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1792-17-2 74523 144211670 A A N,N'-Dibutylurea CCCCNC(=O)NCCCC Tox21_301353 -NCGC00256137-01 196710548 tox21-ror-cho-viability-p1 set2 4 -0.46828911 3.99858957 3.90756258 0.61754106 1.91340668 3.82236306 0.30831354 0.7560691 1.72594498 1.76896411 -0.45379996 0.46104198 1.81964842 -0.15357379 4.16326776 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 765-12-8 3033992 144212025 A Ac 3,6,9,12-Tetraoxatetradeca-1,13-diene C=COCCOCCOCCOC=C Tox21_301708 -NCGC00259347-01 196708473 tox21-ror-cho-viability-p1 set2 4 31.0433465046 -17.076170908 -0.5 -17.576170908 2.4063783767 0.8979289552 0.0003603652 -0.26113042 -3.5638967 0.55664043 0.11692298 -0.17149273 -0.28409454 2.45805497 0.61938654 -2.83728216 -0.09039882 1.11241869 -4.02279876 -2.79257208 -12.28287766 -17.14680909 1.193E-9 2.667E-9 5.963E-9 1.333E-8 2.981E-8 6.6669999999E-8 1.491E-7 3.3329999999E-7 7.4539999999E-7 0.0000016669999999 0.0000037269999999 0.000008333 0.00001863 0.00004167 0.00009317 126-72-7 31356 144208996 A A Tris(2,3-dibromopropyl) phosphate BrCC(Br)COP(=O)(OCC(Br)CBr)OCC(Br)CBr Tox21_201798 -NCGC00256946-01 196708080 tox21-ror-cho-viability-p1 set1 4 -4.32908126 4.21291874 -7.54525925 -0.99945826 -2.17231829 -5.11578799 -5.20525031 -4.39162145 -6.12082085 -9.83937044 -0.06649133 -1.46445672 -1.95161959 1.28339476 -3.10232393 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.00001889 0.00004225 0.00009447 141-32-2 8846 144213613 Fns Butyl acrylate C=CC(=O)OCCCC Tox21_303296 -NCGC00256328-01 196708081 tox21-ror-cho-viability-p1 set1 4 -4.26464015 -10.74370451 -3.34715916 -3.98259174 -3.72936906 -8.74046179 -3.78608624 -1.38180397 1.30924561 -2.1135571 -5.85927838 -4.32023219 -4.6480895 -4.87998628 -9.88409675 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-88-1 60962 144213253 Z F Phenylhydrazine hydrochloride Cl.NNc1ccccc1 Tox21_302936 -NCGC00259443-01 196708475 tox21-ror-cho-viability-p1 set2 -2.2 68.0319836447 -65.7603891576 -1.874262714 -67.6346518716 3.6272481694 0.9710550753 3.965E-7 -4.93100366 2.50425451 0.33050572 0.02369266 -3.12618969 -3.36316157 -4.23736446 -4.09086179 -0.58827503 -2.61881773 -4.49780996 0.47789737 -3.61310517 -11.25736651 -51.23837263 1.172E-9 2.6199999999E-9 5.859E-9 1.31E-8 2.9299999999E-8 6.551E-8 1.465E-7 3.275E-7 7.324E-7 0.0000016379999999 0.000003662 0.000008188 0.00001831 0.00004094 0.000091549999999 25152-84-5 5283349 144209092 A A (E,E)-2,4-Decadienal CCCCC\C=C\C=C\C=O Tox21_201894 -NCGC00259854-01 196708479 tox21-ror-cho-viability-p1 set2 4 2.98577361 -0.49983157 -0.80407797 3.17357055 1.74747952 0.98213108 2.29908046 2.06843774 2.24765887 1.12914709 1.54933754 2.36367193 0.03057081 1.86272025 2.85763601 1.1759999999E-9 2.631E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.288E-7 7.3529999999E-7 0.0000016439999999 0.000003676 0.000008221 0.000018379999999 0.0000411 0.000091909999999 95-48-7 335 144209503 A A o-Cresol Cc1ccccc1O Tox21_202305 -NCGC00259768-01 196708486 tox21-ror-cho-viability-p1 set2 4 34.1316760177 25.7673162583 -4.1942339734 21.5730822849 1.111 0.4379748075 0.2352357366 -1.94619268 -1.20542003 -0.86890592 -8.99712716 0.65979481 -0.6082589 -27.21795958 0.46759998 0.61653105 -0.56457978 -1.63323967 -1.35324622 5.28119127 8.66360654 16.35898137 1.173E-9 2.624E-9 5.867E-9 1.312E-8 2.934E-8 6.56E-8 1.4669999999E-7 3.28E-7 7.334E-7 0.0000016399999999 0.000003667 0.0000082 0.00001834 0.000041 0.00009168 77-09-8 4764 144209417 F Phenolphthalein Oc1ccc(cc1)C3(OC(=O)c2ccccc23)c4ccc(O)cc4 Tox21_202219 -NCGC00015159-11 196726284 tox21-ror-cho-viability-p1 set3 4 -0.55678099 -3.73150243 -1.48358437 3.22134778 -6.09029703 -7.28667392 1.61092162 -1.20174985 -2.49510407 -4.52860392 1.79139286 2.9892781 -0.65240953 -6.10726838 -5.44201218 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63659-18-7 2369 170465448 A Betaxolol hydrochloride CC(C)NCC(O)COc1ccc(cc1)CCOCC2CC2 Tox21_110091_1 -NCGC00167496-03 196725879 tox21-ror-cho-viability-p1 set3 -3 29.8492948118 -72.5867685134 3.4187631374 -69.168005376 4.9549173134 0.913791393 0.0001517638 2.5515242 2.27333669 5.46029992 6.63805015 8.19237616 -7.31858863 -1.78151262 10.05644996 -0.02445414 -4.65730904 7.46989517 3.63856073 10.23473277 -6.73878999 -61.39000448 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61-73-4 6099 170465461 A Methylene blue [Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C Tox21_112497_1 -NCGC00247910-02 196725884 tox21-ror-cho-viability-p1 set3 4 8.3859487 7.45613469 -6.931139 -3.84633878 3.80488472 -4.60149168 16.03573413 -6.21628473 21.33351301 20.32723551 20.55197408 -0.80614552 -2.11134446 1.99412441 3.20030908 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 109-43-3 7986 170466780 Ac A Dibutyl decanedioate O=C(CCCCCCCCC(=O)OCCCC)OCCCC Tox21_113651 -NCGC00178213-05 196726283 tox21-ror-cho-viability-p1 set3 4 0.0005955717 12.404471672 -13.904471672 -1.5 0.7999999999 0.3430184989 0.3448694748 -9.92039306 -5.96033559 0.55951604 -1.71975663 -7.77240074 -4.20723386 -1.16015356 0.68715568 -6.13564321 0.54257465 -0.82839745 1.33344109 -3.57235285 -0.69493028 -4.3164702 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3200-06-4 312915 170465616 A Nafronyl oxalate O=C(O)C(=O)O.CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC3CCCO3 Tox21_110724_1 -NCGC00183849-01 196726292 tox21-ror-cho-viability-p1 set3 4 -4.34034321 -1.76928145 2.11998276 9.7242534 0.96925093 -2.57691597 2.75193503 1.44715677 -2.95063316 9.49448846 -0.08624427 16.04122972 -4.67250885 13.72821653 5.93578944 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 76568-02-0 4474062 144206866 A A Flosequinan CS(=O)C2=CN(C)c1cc(F)ccc1C2=O Tox21_113315 -NCGC00091635-09 196726293 tox21-ror-cho-viability-p1 set3 4 3.46787763 -3.53351511 1.6936833 5.96066322 5.6308534 -0.13936635 4.52700128 4.70308117 4.98509433 3.47794442 4.38734232 2.94705246 1.86333786 1.26140926 -1.73166573 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55-38-9 3346 170466807 A Fenthion Cc1cc(ccc1SC)OP(=S)(OC)OC Tox21_111157_1 -NCGC00016622-08 196726297 tox21-ror-cho-viability-p1 set3 4 18.8336317891 31.290706408 2.709293592 34 0.4 0.4074242945 0.281168121 3.22706124 0.52511072 3.36000261 12.62422059 -2.74225534 8.16739526 6.94370374 9.64052214 5.49319965 12.93636601 17.21602384 1.6646301 9.97170283 28.19561151 8.60053245 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3105-97-3 3634 170466535 A Hycanthone CCN(CC)CCNc1ccc(CO)c2Sc3ccccc3C(=O)c12 Tox21_110531_1 -NCGC00263562-01 196726303 tox21-ror-cho-viability-p1 set3 4 4.43283017 1.38905087 1.40902455 7.13901879 3.249047 9.67695971 10.0029223 2.57432018 -1.81285661 8.50501706 -4.78276022 15.2105357 6.86007216 -3.34972765 0.31438469 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 28888-44-0 120081 170466734 A 6,7-Dimethoxyquinazoline-2,4(1H,3H)-dione COc1cc2c(cc1OC)NC(=O)NC2=O Tox21_111752_1 -NCGC00091205-03 196728038 tox21-ror-cho-viability-p1 set3 4 51.4401355585 -9.830431088 0 -9.830431088 4.9549173134 0.3923917817 0.282115061 0.41127168 -5.27185973 0.7306214 -0.5008118 -1.63620578 -0.54717004 -0.21769922 2.96036394 4.48585218 2.15778195 2.98948189 -3.90152839 0.7212859 0.49008142 -7.77535924 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00257170-01 196727633 tox21-ror-cho-viability-p1 set3 -2.1 61.130564862 -100.2116327941 -2.148259673 -102.3598924671 2.5334283767 0.9514790266 0.0000071281 3.55843577 -0.20031563 -2.5708593 -4.49067695 -2.2179116 -4.45027875 0.63552884 -2.34794652 1.67683527 -3.47487742 -3.40890959 -3.53715327 -19.3843991 -22.61876389 -77.92416096 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 95-32-9 7231 144213595 B Fc 2-(Morpholin-4-yldithio)-1,3-benzothiazole c1cccc2sc(nc12)SSN3CCOCC3 Tox21_303278 -NCGC00255739-01 196728035 tox21-ror-cho-viability-p1 set3 4 1.18667259 0.37413187 0.85493882 1.3161468 1.574314 4.51220591 5.02117037 2.91758517 0.18993885 1.39243104 2.80279276 -0.78605156 2.12739559 -3.87365505 1.91295851 1.213E-9 2.713E-9 6.067E-9 1.357E-8 3.033E-8 6.7829999999E-8 1.517E-7 3.391E-7 7.5829999999E-7 0.000001696 0.0000037919999999 0.000008479 0.00001896 0.00004239 0.00009479 1323-19-9 60196428 144212588 F Sodium triisopropyl naphthalene sulfonate [Na+].CC(C)c1cc2c(cc1)c(cc(C(C)C)c2S([O-])(=O)=O)C(C)C Tox21_302271 -NCGC00255304-01 196728037 tox21-ror-cho-viability-p1 set3 4 0.0968854161 12.4382336279 -7.4382336279 5 2.7202212143 0.3573416351 0.3281610311 2.9007838 -10.09602087 -12.61615986 -12.49269147 2.82663851 -16.61519469 11.83574417 3.10339883 9.07358258 14.96282084 9.23892528 3.33889188 -4.59883549 -4.67138346 -7.22963248 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14816-18-3 9570290 144211897 A B Phoxim CCOP(=S)(O\N=C(/C#N)c1ccccc1)OCC Tox21_301580 -NCGC00164329-03 196698570 tox21-ror-cho-viability-p1 set1 -3 33.4914596268 -60.4429634036 2.654154665 -57.7888087386 4.9549173134 0.9777063735 8.89E-8 0.0716782 6.22496921 3.25845667 2.34303016 1.92559968 4.08963053 3.39762766 2.75529619 3.74705757 0.94732281 -0.25675626 4.83210387 0.64307257 -0.00291758 -50.69193749 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112-90-3 5356789 170466579 A (Z)-9-Octadecenylamine CCCCCCCC\C=C/CCCCCCCCN Tox21_112099_1 -NCGC00018139-07 196698569 tox21-ror-cho-viability-p1 set1 4 29.8492948118 -12.069710556 4 -8.069710556 2.09374246 0.5350411193 0.1500107679 1.68250933 5.62936134 8.43295976 5.85484309 -0.46789296 2.93765895 5.62396648 5.37039981 2.27272974 2.42891423 1.8748536 4.65128966 2.01656796 0.69166872 -5.05809213 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35212-22-7 3747 170466811 A Ipriflavone CC(C)Oc1ccc2c(c1)OC=C(C2=O)c3ccccc3 Tox21_111532_1 -NCGC00090702-02 196698571 tox21-ror-cho-viability-p1 set1 4 -1.85003322 -1.74639857 -0.02060936 -2.84393223 -0.28412972 -4.1436048 0.2565534 -2.02286793 -2.68744208 -1.24340675 -1.42836053 -0.62223639 -0.33572149 -3.12246654 2.54659383 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00179310-03 196698573 tox21-ror-cho-viability-p1 set1 4 -5.41929266 -0.42162118 0.72499228 1.16704125 -0.8585131 -3.99984794 -1.35570146 1.44031998 -1.02037074 -2.51929767 -1.8819187 -2.63397634 -6.8512831 -1.11787214 2.3164055 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5575-21-3 21743 170466431 Z Cefalonium NC(=O)c4cc[n+](CC=2CS[C@@H]3[C@H](NC(=O)Cc1cccs1)C(=O)N3C=2C([O-])=O)cc4 Tox21_110548_1 -NCGC00015856-10 196698583 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -14.980992284 2 -12.980992284 4.9549173134 0.6250452804 0.080347214 -1.51826565 4.78438545 0.84884151 2.79283371 4.25787889 0.99018036 1.80092098 8.52972414 -0.27293107 0.32802559 -1.08677813 3.07875831 2.93570549 2.2451295 -10.81749357 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84-02-6 5281032 170464761 A Prochlorperazine dimaleate O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O.CN1CCN(CC1)CCCN2c4ccccc4Sc3ccc(Cl)cc23 Tox21_113522_1 -NCGC00254624-01 196699002 tox21-ror-cho-viability-p1 set1 4 38.5707788719 -12.4748550119 -2 -14.4748550119 0.7999999999 0.4323991375 0.2425106416 1.41460871 -3.28655949 -7.6946558 0.16027493 -3.2220309 0.69342215 -1.37524061 -0.01854806 -8.82573362 0.45046547 -2.85381872 -7.081518 -4.7891217 -8.38114934 -10.39571251 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 29232-93-7 34526 144211035 B C Pirimiphos-methyl CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1 Tox21_300718 -NCGC00095156-06 196697775 tox21-ror-cho-viability-p1 set1 4 1.34456251 -2.52842952 1.08918227 -2.71263787 -2.56668003 2.00089213 -3.40852844 0.26620208 -5.34392401 2.03879367 -0.43833232 0.09022496 0.5704978 -0.81003416 0.81023608 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6804-07-5 5353472 170466261 A Carbadox O=C(OC)N\N=C\c2c[n+]([O-])c1ccccc1[n+]2[O-] Tox21_111456_1 -NCGC00090750-04 196697761 tox21-ror-cho-viability-p1 set1 4 1.28201524 -5.11001802 -3.0239276 -2.03218998 2.33920006 -1.54388493 -0.87164654 -3.48065272 1.87625702 2.17686935 -3.93355809 1.02020745 -5.42090185 -0.98036216 -2.07976369 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00015889-11 196697771 tox21-ror-cho-viability-p1 set1 4 -7.09926629 1.35855349 -2.82904963 -0.21088915 -1.42737835 -4.5834907 0.83019904 -0.83718351 -1.38711833 -2.80883724 2.85070815 0.81468081 -6.41381986 -3.32862269 -8.06751341 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82640-04-8 54900 170465341 A Raloxifene hydrochloride Cl.Oc1ccc(cc1)c3sc2cc(O)ccc2c3C(=O)c5ccc(OCCN4CCCCC4)cc5 Tox21_110255_1 -NCGC00319022-01 196697774 tox21-ror-cho-viability-p1 set1 4 -4.89958949 3.20563915 1.91969381 1.80162911 2.02972266 1.57979614 0.27456717 1.13565425 -1.97082688 0.23880786 0.28684103 1.13776377 -1.66297388 -0.14648112 4.31705274 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 137-86-0 3034020 170465976 Ac F Octotiamine Nc1nc(C)ncc1CN(C=O)C(\C)=C(/CCO)SSCCC(CCCCC(=O)OC)SC(C)=O Tox21_113988 -NCGC00244579-01 196697782 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -46.9985854617 -3.3752976649 -50.3738831266 4.9549173134 0.9649004398 0.0000011819 -5.72587168 -1.56996063 -3.11424778 -6.14550686 -5.88115778 -1.03592276 -4.130472 -1.03771595 -1.77064812 -2.13401475 -0.65330934 -4.88942682 -4.27114691 -5.98955305 -41.56657391 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00178060-03 196698187 tox21-ror-cho-viability-p1 set1 4 1.4960085492 5.818767872 -5.318767872 0.5 2.7202212143 0.5222916854 0.1605468128 -3.07245742 -3.12342852 -7.99627711 -5.97162521 -2.58983287 -1.86306648 -9.43230656 -2.1435001 -9.40696489 -5.05557674 -1.11291039 -0.07656547 1.70860758 0.29351716 -0.00342453 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3644-61-9 92965 170465769 A Tolperisone hydrochloride Cl.CC(CN1CCCCC1)C(=O)c2ccc(C)cc2 Tox21_111360_1 -NCGC00257601-01 196729509 tox21-ror-cho-viability-p1 set3 4 -3.32565777 -2.83418094 -4.31550185 -0.0532335 1.39871584 -22.05750992 -3.2563035 -5.19032255 -17.26573494 2.46148875 0 0 -5.61306976 -5.08378327 0.20378699 1.244E-9 2.782E-9 6.22E-9 1.391E-8 3.11E-8 6.954E-8 1.5549999999E-7 3.4769999999E-7 7.775E-7 0.000001738 0.000003887 0.0000086919999999 0.00001944 0.00004346 0.00009718 2163-42-0 75103 144207245 A A 2-Methylpropane-1,3-diol CC(CO)CO Tox21_200047 -NCGC00258445-01 196729503 tox21-ror-cho-viability-p1 set3 4 13.6715125731 18.0015922119 -2.0015922119 16 1.4641 0.8833834472 0.0006911826 -0.49079948 -3.22381687 -4.16799351 -2.48328273 -3.31117352 -0.26989798 -3.15523335 -3.08019471 0.60739943 -0.31813443 1.01542659 -0.02441506 13.2784545 10.21416717 15.21144813 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 590-86-3 11552 144208089 F 3-Methylbutanal CC(C)CC=O Tox21_200891 -NCGC00258606-01 196729504 tox21-ror-cho-viability-p1 set3 4 0.57604044 0.71536555 -0.88751738 0.72538712 0.40799823 -8.53786723 2.16719719 1.79621973 1.87076614 0.26170746 0.98873429 0.64015713 0.52148538 1.50516276 3.24919955 1.134E-9 2.5349999999E-9 5.669E-9 1.268E-8 2.835E-8 6.338E-8 1.4169999999E-7 3.169E-7 7.086E-7 0.0000015849999999 0.000003543 0.000007923 0.00001772 0.000039609999999 0.00008858 105-39-5 7751 144208251 D Ethyl chloroacetate ClCC(=O)OCC Tox21_201053 -NCGC00257978-01 196729508 tox21-ror-cho-viability-p1 set3 4 34.4112047096 -14.7789065319 0.5 -14.2789065319 0.4 0.5248975969 0.1577276042 1.69877593 0.31052695 -1.18910852 1.06134286 1.21284768 -0.94370507 -6.35898746 0.0541881 0.31956615 -6.86755646 -1.12217097 0.01629295 -10.23242211 -7.82583467 -7.90585434 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004127 0.00009229 71-48-7 6277 144207622 Fns Cobalt(II) acetate [Co+2].[O-]C(C)=O.[O-]C(C)=O Tox21_200424 -NCGC00091775-03 196729913 tox21-ror-cho-viability-p1 set3 4 30.6378586933 -13.8969907679 -0.5 -14.3969907679 3.5117481694 0.7805965615 0.0117353474 0.55918232 0.68339528 -1.7369922 -8.08803967 2.0314733 -0.65578974 -0.59399316 1.37862707 -0.52208956 0.99527948 0.27117736 -1.50662549 -1.92244088 -10.6723468 -15.33082564 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00255553-01 196728333 tox21-ror-cho-viability-p1 set3 4 3.0637858693 -7.36592078 6.5 -0.86592078 4.9549173134 0.3363205458 0.3332432914 -0.03203565 11.8377341 12.17269563 0.27731446 1.5225615 5.32542304 5.94840894 1.30564118 17.47355099 8.05724003 0.98068898 -1.97160065 0.6313696 -1.12612289 -1.38058308 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2444-46-4 2998 144211535 A A Nonivamide Oc1ccc(cc1OC)CNC(=O)CCCCCCCC Tox21_301218 -NCGC00255799-01 196728319 tox21-ror-cho-viability-p1 set3 -1.2 6.8589621897 -54.1354168808 -0.4529538349 -54.5883707157 4.4494702849 0.9801451725 4.55E-8 -3.19589356 -1.42662692 -0.80349892 -3.44200466 0.26421478 3.51656596 6.10956706 -0.03621751 0.8172065 -5.04207873 -3.7332569 -39.07752963 -58.41997129 -54.34187851 -49.15301419 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 493-52-7 10303 144211653 A A Methyl red CN(C)c2ccc(/N=N/c1ccccc1C(=O)O)cc2 Tox21_301336 -NCGC00255496-01 196728330 tox21-ror-cho-viability-p1 set3 4 0.23167352 0.45338359 -1.40750609 -1.26389094 1.02490618 1.17761285 6.74085449 1.74885954 1.72735633 2.23459735 2.57118696 -3.15335874 -1.59737052 0.72111872 2.25178567 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.938E-8 6.568E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.000041049999999 0.0000918 6988-21-2 23421 144212737 A Fc Dioxacarb CNC(=O)Oc1ccccc1C2OCCO2 Tox21_302420 -NCGC00255341-01 196728331 tox21-ror-cho-viability-p1 set3 4 -1.16075564 24.84734158 13.91395149 14.69723742 5.77013238 6.40653229 9.42588127 7.77251325 13.7402137 2.44167202 10.49348186 9.95059832 6.31416737 4.97830652 1.64676321 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 542-92-7 7612 144212451 FNS 1,3-Cyclopentadiene C1=CC=CC1 Tox21_302134 -NCGC00256298-01 196728734 tox21-ror-cho-viability-p1 set3 1.4 0.5448267328 28.112129648 2.387870352 30.5 0.4 0.7691179017 0.0190074423 8.62953889 6.20806852 9.57826859 -3.01010804 14.17758817 8.00378623 16.59160296 16.6511938 14.52526938 16.65236149 22.79615647 23.21953498 26.32254097 25.95352311 7.95608265 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15706-73-7 61812 144212627 F Fns Butyl 2-methylbutyrate O=C(OCCCC)C(C)CC Tox21_302310 -NCGC00255701-01 196728740 tox21-ror-cho-viability-p1 set3 4 0.20337102 -5.01364529 -1.6236147 -1.93801964 -0.58066436 -6.59500529 14.73379997 2.27786264 5.30595603 -4.2449529 14.5200859 10.35768168 5.46771952 -5.20074377 1.62602473 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 882-09-7 2797 144211997 A A Clofibric acid Clc1ccc(OC(C)(C)C(=O)O)cc1 Tox21_301680 -NCGC00255849-01 196728745 tox21-ror-cho-viability-p1 set3 4 -0.80155679 1.976529 -0.61004444 -0.36695471 3.34647115 4.23682642 4.2193349 0.85134505 4.86484493 1.90127728 3.07539268 0.98336683 -0.73815931 -1.61550419 1.62917154 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-82-7 61053 144211868 A A N-(4-Ethoxyphenyl)-3-oxobutanamide CCOc1ccc(cc1)NC(=O)CC(C)=O Tox21_301551 -NCGC00163724-03 196728754 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -13.7342203639 -1 -14.7342203639 4.9549173134 0.4124825213 0.2609745306 -11.17499419 0.8104205 0.16575859 -1.46209917 1.51533184 -0.51312046 2.73899 2.4874262 0.35074809 -0.60244154 0.03104134 -4.58908935 -4.07704496 -1.64666338 -12.27851697 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00025179-12 196725875 tox21-ror-cho-viability-p1 set3 4 33.4914596268 -20.916239128 -0.5 -21.416239128 4.9549173134 0.6825379381 0.0465440859 0 0 0.82399565 0.5559838 -7.20653547 2.48039867 1.48994971 3.42161228 -4.8393598 3.28722418 -4.08355115 1.20487327 -2.94611735 -2.06413604 -17.84686594 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84371-65-3 55245 170465151 A Mifepristone CN(C)c1ccc(cc1)[C@H]5C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]4CCC3=CC(=O)CCC3=C45 Tox21_110952_1 -NCGC00182707-03 196725448 tox21-ror-cho-viability-p1 set3 2.4 33.4914596268 32.006055464 -2.006055464 30 4.9549173134 0.7753438115 0.0128176518 -10.00504622 0 3.05445359 -4.26479825 -0.95596089 2.58620359 -2.00149109 2.20085648 -2.37022052 -1.85187865 3.00913231 -3.04235813 -5.98487996 -3.51444117 25.92688589 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104054-27-5 71310 170466187 A Atipamezole CCC1(Cc2ccccc2C1)c3cncn3 Tox21_113005_1 -NCGC00015519-11 196725455 tox21-ror-cho-viability-p1 set3 4 0.003349146 -15.8374604399 9.5 -6.3374604399 1.6258976909 0.8149766845 0.0057506138 8.13037659 8.47265447 0 0 -7.21542815 -5.66524219 -5.98456885 -5.83467875 -11.9478837 -7.14353481 -8.67442959 -2.63518622 -6.79032944 -3.04699703 -4.79822685 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-61-6 681 170464942 Z Dopamine hydrochloride Oc1ccc(CCN)cc1O Tox21_110167_1 -NCGC00181341-02 196725465 tox21-ror-cho-viability-p1 set3 4 -0.48443381 -4.93533201 -4.09385135 -3.08661409 4.68609636 1.81806332 2.95897673 -15.59859997 -2.77621611 2.32303395 -1.16553215 -1.69885896 3.72423395 3.37428013 7.88344255 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87233-62-3 5282485 170465197 A Emedastine difumarate CN1CCCN(CC1)c3nc2ccccc2n3CCOCC.O=C(O)\C=C\C(=O)O.O=C(O)\C=C\C(=O)O Tox21_112800_1 -NCGC00162218-05 196725877 tox21-ror-cho-viability-p1 set3 4 4.86177933 4.5622702 4.39815197 -0.14196905 0.65551046 -1.21183245 -0.37165364 -0.40731806 -0.47905741 -2.62769053 -0.60843713 -0.93867184 -4.14497943 -3.53909419 -4.03080535 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15622-65-8 9883259 170465047 A Molindone hydrochloride Cl.O=C1C(CCc2nc(C)c(CC)c12)CN3CCOCC3 Tox21_110579_1 -NCGC00016309-06 196726281 tox21-ror-cho-viability-p1 set3 -2.2 7.4978038628 -38.437240592 7.1327092845 -31.3045313075 2.0478617061 0.8659042652 0.0013375593 -0.22655369 0.47674795 3.2185582 8.59378355 3.50340344 8.29388431 7.57815297 10.86816721 10.36440832 17.28981853 6.35647096 -1.409674 -20.02288872 -18.87540726 -35.36436716 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72-14-0 5340 170465454 A Sulfathiazole O=S(=O)(Nc1nccs1)c2ccc(N)cc2 Tox21_110363_1 -NCGC00258760-01 196702450 tox21-ror-cho-viability-p1 set1 4 -0.05023384 0.39636662 -0.12453017 0.54048811 0.50369713 -0.36768918 0.88634756 2.57427712 5.19721869 0.23835197 0.55188925 -0.08466313 4.99171046 4.9384031 8.82257714 1.216E-9 2.719E-9 6.08E-9 1.36E-8 3.04E-8 6.7979999999E-8 1.5199999999E-7 3.3989999999E-7 7.5999999999E-7 0.000001699 0.0000037999999999 0.000008497 0.000018999999999 0.00004249 0.000094999999999 5407-04-5 94308 144208406 A A Dimethylaminopropyl chloride hydrochloride Cl.ClCCCN(C)C Tox21_201208 -NCGC00257667-01 196702452 tox21-ror-cho-viability-p1 set1 4 -11.79075579 -0.66537433 -10.48729011 -0.254569 -3.63195211 -9.32970556 2.14708252 -4.41558424 -15.36059282 -3.67463921 -10.35758355 -4.44623023 -15.62225577 -10.7392015 -3.3499162 1.21E-9 2.7049999999E-9 6.0499999999E-9 1.353E-8 3.0249999999E-8 6.764E-8 1.512E-7 3.382E-7 7.562E-7 0.000001691 0.000003781 0.000008455 0.00001891 0.00004227 0.000094529999999 542-10-9 222536 144207311 A A 1,1-Ethanediol diacetate CC(=O)OC(C)OC(=O)C Tox21_200113 -NCGC00258665-01 196702456 tox21-ror-cho-viability-p1 set1 4 3.46991944 0.82327575 4.17773153 2.27969788 4.87378349 2.463387 7.41199121 2.41189653 7.69304137 1.74180681 1.71327471 2.36766143 10.3578748 -1.48357224 2.85455414 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.386E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 106-42-3 7809 144208311 FNS para-Xylene Cc1ccc(C)cc1 Tox21_201113 -NCGC00258590-01 196702457 tox21-ror-cho-viability-p1 set1 4 8.38725493 2.03530717 2.42844676 -3.80045186 3.0440368 0.66690215 1.5881632 2.6752615 7.58975061 1.08083737 -0.1224821 -5.36292545 5.06438088 6.44626166 8.99643318 1.1699999999E-9 2.617E-9 5.852E-9 1.3079999999E-8 2.926E-8 6.542E-8 1.463E-7 3.271E-7 7.315E-7 0.0000016359999999 0.000003657 0.000008178 0.00001829 0.000040889999999 0.00009143 142-96-1 8909 144208235 FNS Butyl ether CCCCOCCCC Tox21_201037 -NCGC00159417-06 196701636 tox21-ror-cho-viability-p1 set1 -2.2 39.4746922522 -60.973690588 -5.7320167249 -66.7057073129 0.9999999999 0.879778212 0.0007952663 -7.13713071 -13.85292812 -0.3981027 -6.71588944 -13.66276847 -3.61213887 -7.62550142 -11.74204166 -2.31810736 -16.18208537 -13.69523447 -15.03729683 -22.41847471 -36.19394437 -52.94103755 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00256137-01 196700809 tox21-ror-cho-viability-p1 set1 4 -0.44015581 -0.87579952 1.46023711 -3.29842171 4.54960208 0.09571154 -0.84745667 0.43915351 -7.1275926 3.33125393 3.51293749 3.76230683 -0.87153143 1.90076303 2.11295008 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 765-12-8 3033992 144212025 A Ac 3,6,9,12-Tetraoxatetradeca-1,13-diene C=COCCOCCOCCOC=C Tox21_301708 -NCGC00255894-01 196700815 tox21-ror-cho-viability-p1 set1 4 -1.80286154 -1.51224399 -0.2112929 -1.1155833 -0.22721669 -3.09438807 -3.07978578 -1.37746874 -2.06097776 -0.18497646 -1.45010705 -1.46580627 -0.37760306 2.4767673 4.9711603 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 954-21-2 70381 144212311 A A N-methyl-alpha-phenylbenzeneacetamide O=C(NC)C(c1ccccc1)c2ccccc2 Tox21_301994 -NCGC00255129-01 196701240 tox21-ror-cho-viability-p1 set1 4 -0.58643453 -4.30204999 -3.54924722 -1.14377065 -0.52097603 -2.38544544 -2.23886274 -6.59650417 -3.93102115 1.92186008 2.39992541 0.46709074 1.86294242 -1.20274278 -3.31179804 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 32687-77-7 64865 144211555 A C 3-[3,5-DI(tert-butyl)-4-hydroxyphenyl]propanohydrazide CC(C)(C)c1cc(cc(c1O)C(C)(C)C)CCC(=O)NN Tox21_301238 -NCGC00258713-01 196701641 tox21-ror-cho-viability-p1 set1 4 4.27055437 -1.20929163 2.5947693 6.32553594 -1.70848107 -1.05004031 -0.63626841 3.88788218 6.99109494 -0.89747673 3.88305592 2.05106058 1.06072993 1.21568207 6.21418215 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 7727-54-0 62648 144208359 Diammonium peroxydisulfate [NH4+].[NH4+].O=S(=O)([O-])OOS([O-])(=O)=O Tox21_201161 -NCGC00257962-01 196701650 tox21-ror-cho-viability-p1 set1 4 -4.18160925 -0.62996098 -2.99944547 0.72124385 -2.22734672 -4.6960792 -7.81705868 -5.45362236 -1.68822752 -1.5537948 -8.06576236 -6.40109913 -8.23503721 -4.09947924 -3.05975706 1.164E-9 2.603E-9 5.8199999999E-9 1.301E-8 2.91E-8 6.507E-8 1.4549999999E-7 3.254E-7 7.275E-7 0.0000016269999999 0.0000036379999999 0.000008134 0.00001819 0.00004067 0.00009094 598-77-6 11733 144207606 A A 1,1,2-Trichloropropane CC(Cl)C(Cl)Cl Tox21_200408 -NCGC00258120-01 196702052 tox21-ror-cho-viability-p1 set1 4 0.52990906 -0.49763437 1.73665908 3.85378117 0.64188928 1.92599121 0.33069595 2.28120279 6.40406094 1.30534676 0.38764986 -0.20948722 2.27121741 1.37590185 -0.68145622 1.26E-9 2.817E-9 6.299E-9 1.4089999999E-8 3.15E-8 7.043E-8 1.575E-7 3.521E-7 7.874E-7 0.0000017609999999 0.000003937 0.0000088039999999 0.00001969 0.00004402 0.00009843 76-12-0 6427 144207764 1,2-Difluoro-1,1,2,2-tetrachloroethane ClC(Cl)(F)C(Cl)(Cl)F Tox21_200566 -NCGC00258560-01 196702053 tox21-ror-cho-viability-p1 set1 4 -4.65740898 -14.79480605 0.82492037 -2.24316617 -11.75858628 -10.68171786 -12.46659175 -14.47643243 1.72464899 -7.3194497 -6.5704572 -3.62707465 -12.73047159 -11.24749205 -0.16732969 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.65E-8 1.487E-7 3.325E-7 7.435E-7 0.000001663 0.000003718 0.000008313 0.00001859 0.00004156 0.000092939999999 1074-82-4 3356745 144208205 D Potassium 1,3-dioxo-1,3-dihydroisoindol-2-ide [K+].O=C1[N-]C(=O)c2ccccc12 Tox21_201007 -NCGC00257742-01 196702057 tox21-ror-cho-viability-p1 set1 -2.2 46.0503282685 -58.8563247135 3.9952121665 -54.861112547 1.4163171 0.9403999292 0.0000218198 7.27192017 3.03548485 1.79494408 4.74740175 -3.57478728 5.12436877 7.95201909 8.55280927 5.05995995 3.87064496 -0.46232272 -2.36430478 -8.63993497 -19.62995563 -41.5429474 1.129E-9 2.525E-9 5.646E-9 1.263E-8 2.823E-8 6.313E-8 1.412E-7 3.156E-7 7.058E-7 0.000001578 0.0000035289999999 0.000007891 0.00001764 0.00003945 0.000088219999999 609-19-8 11859 144207386 A A 3,4,5-Trichlorophenol Oc1cc(Cl)c(Cl)c(Cl)c1 Tox21_200188 -NCGC00256922-01 196719258 tox21-ror-cho-viability-p1 set2 4 -1.67317974 -2.32864159 -0.5004398 -1.28675492 0.08562579 2.92672427 2.07413814 2.9180064 3.48461708 -0.13447058 -2.231272 1.54141479 0.11738776 1.60020868 2.32658541 9.615E-10 2.15E-9 4.807E-9 1.0749999999E-8 2.404E-8 5.3749999999E-8 1.202E-7 2.6869999999E-7 6.0089999999E-7 0.000001344 0.0000030049999999 0.000006718 0.000015019999999 0.00003359 0.00007512 36631-30-8 169794 144212967 Fns Triisodecyl trimellitate CC(C)CCCCCCCOC(=O)c1cc(C(=O)OCCCCCCCC(C)C)c(cc1)C(=O)OCCCCCCCC(C)C Tox21_302650 -NCGC00257697-01 196730320 tox21-ror-cho-viability-p1 set3 4 -1.23698572 0.89991195 -0.04460619 0.5745416 1.89904913 1.12885373 1.02135163 1.98666005 -0.9771245 1.1344772 -1.17212733 0.8153066 -1.73572243 -1.35780823 -2.10411344 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.626E-8 1.482E-7 3.3129999999E-7 7.408E-7 0.000001656 0.000003704 0.000008282 0.00001852 0.000041409999999 0.000092589999999 98-09-9 7369 144207341 A Benzenesulfonyl chloride O=S(=O)(Cl)c1ccccc1 Tox21_200143 -NCGC00258167-01 196730332 tox21-ror-cho-viability-p1 set3 4 5.6855746 -0.50442476 16.86370526 4.33874816 5.82822703 4.34568929 2.33599598 -1.75605486 2.766571 -0.38270706 0.93230314 -1.83016488 0.53417392 6.70961901 0.96742874 1.18E-9 2.6389999999E-9 5.9009999999E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.299E-7 7.376E-7 0.000001649 0.000003688 0.0000082469999999 0.00001844 0.000041229999999 0.0000922 797789-00-5 2734177 144207811 A A 1-Hexylpyridinium hexafluorophosphate F[P-](F)(F)(F)(F)F.CCCCCC[n+]1ccccc1 Tox21_200613 -NCGC00254152-01 196719673 tox21-ror-cho-viability-p1 set3 4 17.15597254 -4.10926134 -7.4099937 8.36239325 -2.81731598 15.29308654 13.93911019 10.49239831 16.50803145 -2.94073071 8.90867377 13.42179213 5.83952955 3.204266 0.81533851 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47362 53316380 144210563 F SSR150106 O=C(OCC)[C@@]2(Oc1ccccc1[C@@H]2N)c3ccccc3 Tox21_300243 -NCGC00253948-01 196719656 tox21-ror-cho-viability-p1 set3 -2.2 21.7323636741 -53.3343725488 -5.898013242 -59.2323857908 1.826479391 0.8949925545 0.0004106675 -9.46140227 -16.34440344 -4.90817985 -4.29315613 -9.58578456 -6.77191563 -5.37730854 -2.19436033 -1.49596343 -3.00987419 -5.17977135 -3.51507969 -18.73529661 -28.02338327 -47.52453469 5.4859999999E-10 1.227E-9 2.743E-9 6.133E-9 1.371E-8 3.0669999999E-8 6.857E-8 1.5329999999E-7 3.429E-7 7.667E-7 0.0000017139999999 0.000003833 0.000008571 0.00001917 0.00004286 NOCAS_47325 18173271 144210534 A A SB413217A Cl.Fc1ccc(cc1)/C=C/C(=O)NC2CCC(CC2)CCN3CCc4ccc(cc4CC3)c5nc(C)on5 Tox21_300214 -NCGC00254520-01 196719661 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -74.6333753955 5.5 -69.1333753955 4.9549173134 0.9063858842 0.0002308955 16.06929266 11.72505184 11.41558759 6.50912833 7.77641595 1.32752566 5.31302549 4.99279401 5.76047802 0.28550297 6.715023 -0.76835755 -3.36705909 0.30459219 -55.06392861 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84852-15-3 338733 144210893 A A 4-Nonylphenol, branched Oc1ccc(CCCCCCC(C)C)cc1 Tox21_300576 -NCGC00254538-01 196720070 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -134.5076521597 10.2811013041 -124.2265508556 4.9549173134 0.9387239466 0.0000252788 11.60856297 3.56888981 10.90850371 3.65581853 9.00355734 3.01001505 0 20.72292034 18.82689288 21.46381171 4.97321891 16.99526783 4.75392727 8.29114504 -99.49032128 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23593-75-1 2812 144210733 A F Clotrimazole Clc1ccccc1C(c2ccccc2)(c3ccccc3)n4ccnc4 Tox21_300415 -NCGC00254903-01 196720071 tox21-ror-cho-viability-p1 set3 4 0.3054441104 12.502920344 -10.002920344 2.5 0.5999999999 0.5913032742 0.103466413 -2.58803734 -14.50490676 -15.00243362 -2.52707063 -9.44417711 -7.39036858 -3.38255526 -3.97269977 0.42006238 -1.67862506 -0.1017407 -0.17452957 -0.90407836 0.09737708 6.4875365 1.177E-9 2.631E-9 5.884E-9 1.316E-8 2.942E-8 6.578E-8 1.471E-7 3.289E-7 7.355E-7 0.000001645 0.0000036769999999 0.000008223 0.00001839 0.00004111 0.000091939999999 81334-34-1 54738 144211318 A A Imazapyr CC1(N=C(NC1=O)c2ncccc2C(=O)O)C(C)C Tox21_301001 -NCGC00254394-01 196720075 tox21-ror-cho-viability-p1 set3 4 3.68068553 12.92563424 -3.12941717 4.70551035 2.73588698 2.3426236 0.3026328 -0.61682605 0.43889189 2.9773768 4.23196056 3.49878259 -0.08228935 0.74513734 3.23271014 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 553-26-4 11107 144210894 A A 4,4'-Bipyridine c1cc(ccn1)c2ccncc2 Tox21_300577 -NCGC00255051-01 196720089 tox21-ror-cho-viability-p1 set3 4 0.0136854288 -8.0311962721 9 0.9688037279 1.826479391 0.6671621852 0.0550598806 7.89422368 8.33660638 8.90845483 5.24259137 1.10482436 0.30879223 4.5150663 -2.94266356 3.54677842 -1.39527478 -0.0987248 4.92887944 1.22666487 0.52522011 -0.60606181 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7786-34-7 5355863 144211470 F Mevinphos O=P(OC)(OC)OC(/C)=C/C(=O)OC Tox21_301153 -NCGC00254980-01 196720490 tox21-ror-cho-viability-p1 set3 4 0.0019331182 -7.57631616 7 -0.57631616 4.9549173134 0.5409635047 0.1465767769 6.52677436 0.76391303 -3.00637131 1.8124656 1.47608805 -0.13394126 2.31226527 -1.18061916 -0.68075021 -1.21308053 -1.02737168 -1.78376206 0.57115902 -2.49772811 -3.8135968 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4682-36-4 83823 144211396 A A Orphenadrine dihydrogen citrate O=C(O)C(O)(CC(=O)O)CC(=O)O.CN(C)CCOC(c1ccccc1)c2ccccc2C Tox21_301079 -NCGC00090698-04 196720500 tox21-ror-cho-viability-p1 set3 4 6.1130564862 -13.127765856 12 -1.127765856 4.5044702849 0.5120002649 0.1676145026 12.86508562 3.57431472 17.38028866 8.58946317 13.57559185 19.99384433 2.26690604 10.21685665 9.31894056 23.62981342 10.15792579 2.0097237 -3.43980488 -0.19304018 0.42294469 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00090965-04 196726699 tox21-ror-cho-viability-p1 set3 4 0.0034376243 20.190431348 -23.190431348 -3 3.9899729863 0.5688998424 0.1353153175 -22.65869279 -20.21620525 0 0 -4.93386429 -0.86567846 -0.97351833 -2.06816615 -0.4858904 -0.87883612 0 0 -20.28040042 -8.72663302 -11.28263258 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00256980-01 196726706 tox21-ror-cho-viability-p1 set3 4 -0.97935176 -1.77031928 -0.15000004 -2.70623814 -0.03207122 -2.18807364 -1.21829865 -3.46787594 -0.47139616 -2.67168091 0 -0.45162946 -1.18732079 -1.0041396 0.05715415 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-30-7 31344 144213615 A A 2,2-Dimethylpropane-1,3-diol CC(C)(CO)CO Tox21_303298 -NCGC00179408-03 196726290 tox21-ror-cho-viability-p1 set3 4 3.72797007 5.46816972 5.51251608 2.95602231 6.49843468 -0.3864311 2.35803848 13.32105258 4.47072664 4.28901722 0.11839662 1.43674707 1.2086342 6.44719466 8.45700612 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 92339-11-2 3724 170464924 F Iodixanol OCC(O)CNC(=O)c1c(I)c(c(I)c(C(=O)NCC(O)CO)c1I)N(CC(O)CN(C(C)=O)c2c(I)c(c(I)c(c2I)C(=O)NCC(O)CO)C(=O)NCC(O)CO)C(C)=O Tox21_110711_1 -NCGC00159486-06 196726296 tox21-ror-cho-viability-p1 set3 4 4.13671271 -0.03311178 3.0146339 1.5124112 2.18762829 -0.07488254 0.79523954 -0.59751798 1.74485828 1.35192803 1.1667236 -1.78789995 1.44774011 -0.60124196 1.29922746 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 495-69-2 464 170464791 A Hippuric acid O=C(NCC(=O)O)c1ccccc1 Tox21_111710_1 -NCGC00244580-01 196726710 tox21-ror-cho-viability-p1 set3 -2.1 48.5577336745 -94.4744523773 0.727388721 -93.7470636563 1.713743691 0.9951047071 0 -0.23128763 -0.55163853 -0.38517596 0.66964851 1.23956627 0.68264961 1.52720938 0.58730018 1.66082437 1.70561002 -1.1269195 -1.77334395 -18.34261541 -38.92583585 -71.02050277 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00256752-01 196726712 tox21-ror-cho-viability-p1 set3 4 0.06734004 0.17261698 1.07213311 -1.72300967 0.10205868 -1.76425027 3.06240154 3.1253076 1.18070889 0.00856648 7.19132197 0.67063792 0.34893915 0.01240173 3.61034756 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 459-80-3 9989 144213025 F Geranic acid O=C(O)C=C(C)CC\C=C(/C)C Tox21_302708 -NCGC00256988-01 196726717 tox21-ror-cho-viability-p1 set3 4 -3.6399329 -4.47348589 -6.01826304 -9.06358626 0 -2.64540929 -2.22696868 -5.30680098 -5.29554937 -0.0595699 0 -3.68966468 -14.31875251 -7.34190045 -4.21662922 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 78-40-0 6535 144213423 B A Triethyl phosphate CCOP(=O)(OCC)OCC Tox21_303106 -NCGC00256755-01 196726720 tox21-ror-cho-viability-p1 set3 4 0.1526368 -0.84179567 -0.97282883 -0.09890895 0.31064358 1.21681768 3.07829936 1.93095066 4.72255812 5.31923452 0.91711668 -3.33937812 0.02722191 0.84703959 4.54216332 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 15763-76-5 23679813 144213942 A Cc sodium 4-isopropylbenzenesulfonate [Na+].O=S([O-])(=O)c1ccc(cc1)C(C)C Tox21_303637 -NCGC00257428-01 196727117 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -22.1511154279 -0.5 -22.6511154279 2.3531167061 0.6267040825 0.0789743067 -0.77966458 0.03869394 1.09475645 -4.98985747 -5.3269553 -0.53917069 0.11628908 0.27937064 2.74847802 1.23004845 4.50943256 -7.09215097 -0.65109328 -5.18419365 -15.54259619 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1143-72-2 70837 144213688 A A 2,3,4-Trihydroxbenzophenone Oc2ccc(C(=O)c1ccccc1)c(O)c2O Tox21_303374 -NCGC00091088-05 196727116 tox21-ror-cho-viability-p1 set3 4 0.0024336516 -7.6600381721 8 0.3399618279 1.4163171 0.517971518 0.1668387254 6.99339785 1.36435583 5.33789591 -0.22678325 -0.22229503 0.04693969 -3.05003181 -0.56847608 1.70645095 -0.81131019 0.50657658 -0.15701126 0.14862236 2.21250383 1.51935982 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00256380-01 196727123 tox21-ror-cho-viability-p1 set3 4 6.1130564862 -14.9283303319 -3.5 -18.4283303319 0.7999999999 0.6907314004 0.0424885778 1.08853008 -5.90466415 -3.74062784 -5.81287472 -6.03751068 -2.60971793 0 -6.86322442 -6.26870379 -6.05185312 -4.52783927 -19.52360861 -11.69794037 -14.37846882 -17.45643991 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4548-53-2 5463878 144213172 Ac FD&C Red 4 [Na+].[Na+].Cc1cc(C)c(cc1S(=O)([O-])=O)/N=N/c3cc(c2ccccc2c3O)S([O-])(=O)=O Tox21_302855 -NCGC00257470-01 196727125 tox21-ror-cho-viability-p1 set3 4 0.0002956397 -13.274433368 14 0.725566632 2.7202212143 0.8287869207 0.0042467166 10.25606087 2.85831791 -0.64536114 1.49536863 -0.25250398 1.17435927 0.67774468 0.70370738 3.94883402 -0.08351107 0.90609493 0.45239272 1.06289933 1.27980845 -0.10474967 2.2419999999E-10 5.012E-10 1.121E-9 2.506E-9 5.6039999999E-9 1.2529999999E-8 2.802E-8 6.265E-8 1.401E-7 3.133E-7 7.005E-7 0.000001566 0.0000035019999999 0.0000078319999999 0.00001751 2497-21-4 17244 144213752 Fns 4-Hexen-3-one CCC(=O)C=CC Tox21_303442 -NCGC00260452-01 196724702 tox21-ror-cho-viability-p1 set3 4 0.043497272 6.019816472 -4.519816472 1.5 4.9549173134 0.3605270815 0.3265764222 0.08851941 2.68584313 -9.82937709 -10.84984706 -5.23302299 3.06869997 -2.21863332 2.68766885 2.38857465 -4.16908508 3.14634682 3.35416651 1.77649979 3.22770117 -7.65592062 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6239999999E-8 1.481E-7 3.312E-7 7.405E-7 0.000001656 0.0000037029999999 0.000008279 0.00001851 0.0000414 0.000092569999999 2510-55-6 17279 144210104 A A 9-Cyanophenanthrene N#Cc2cc3ccccc3c1ccccc12 Tox21_202906 -NCGC00163724-03 196702864 tox21-ror-cho-viability-p1 set1 4 0.685896219 -5.409759908 -1.5 -6.909759908 1.331 0.3931884431 0.2800887427 -4.78116185 -3.09913053 4.04929858 2.61292836 -5.28337558 -2.89000316 -2.21972368 -3.20240694 -0.02791983 -10.34146659 -8.9422979 -5.1696604 -7.93962035 -4.33553228 -6.47827527 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00015060-14 196702881 tox21-ror-cho-viability-p1 set1 4 -5.64945367 -9.58579586 -11.05793632 1.88439671 -10.93903493 -6.28757866 -10.39158314 -11.31024142 -7.21039284 -6.86088533 -10.52960171 -10.18119404 -6.89805576 -6.06443286 -4.01261816 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00258455-01 196702459 tox21-ror-cho-viability-p1 set1 4 -8.47421239 -0.89615654 -3.52150328 -0.20147089 -1.29670991 -2.1682639 -0.65824366 0.05148698 8.85063888 -0.28825193 -0.79130352 9.34470971 -2.38566605 -3.24577294 -8.86745824 1.1379999999E-9 2.544E-9 5.689E-9 1.2719999999E-8 2.844E-8 6.36E-8 1.422E-7 3.18E-7 7.111E-7 0.00000159 0.000003555 0.00000795 0.00001778 0.00003975 0.000088879999999 495-85-2 5281567 144208099 A A Methysticin O=C3C=C(C[C@H](/C=C/c1ccc2OCOc2c1)O3)OC Tox21_200901 -NCGC00258230-01 196702869 tox21-ror-cho-viability-p1 set1 4 13.8107805854 -17.148739844 -2 -19.148739844 0.3 0.421652495 0.2524040661 -6.62613507 -7.1630105 -2.16505864 -3.22841033 -7.66575003 0.16919904 -12.85919775 -4.43012435 -4.76144798 -8.22495295 -5.59714493 -9.4554105 -9.92731788 -13.17439831 -15.12394987 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.9719999999E-8 6.6449999999E-8 1.486E-7 3.3219999999E-7 7.429E-7 0.0000016609999999 0.000003714 0.0000083059999999 0.00001857 0.00004153 0.00009286 319-84-6 727 144207874 A A alpha-1,2,3,4,5,6-Hexachlorocyclohexane Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@H]1Cl Tox21_200676 -NCGC00260095-01 196703276 tox21-ror-cho-viability-p1 set1 -2.1 60.5714923824 -99.526096036 -1.671053568 -101.197149604 4.9549173134 0.980662437 3.91E-8 0.11418015 -0.7497957 -0.38984917 -0.64602167 0.63843453 0.01270855 -0.1482779 -4.14843899 1.99675057 0.25115959 -0.19507662 -9.52607491 -8.12780021 -14.74931173 -89.71378511 1.171E-9 2.618E-9 5.854E-9 1.3089999999E-8 2.927E-8 6.545E-8 1.463E-7 3.2719999999E-7 7.317E-7 0.0000016359999999 0.0000036589999999 0.0000081809999999 0.00001829 0.0000409 0.000091469999999 67-97-0 5280795 144209744 Cc Fns Vitamin D3 C=C3CC[C@H](O)C\C3=C\C=C1/CCC[C@]2(C)[C@H](CC[C@@H]12)[C@H](C)CCCC(C)C Tox21_202546 -NCGC00260057-01 196703280 tox21-ror-cho-viability-p1 set1 4 21.8002774318 -17.35146082 1.5 -15.85146082 1.59358881 0.8213053526 0.0049500994 4.43450834 -3.10347512 0.70477648 -2.84483598 0.83444929 3.56355571 2.9680243 3.3260115 -0.10483918 0.20012766 4.16788859 -2.97276005 -6.17177829 -10.60256104 -14.87621735 1.185E-9 2.649E-9 5.923E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 992-59-6 13816 144209706 F F C.I. Direct Red 2 [Na+].[Na+].[O-]S(=O)(=O)c5cc(/N=N/c1ccc(cc1C)c4ccc(/N=N/c2cc(c3ccccc3c2N)S([O-])(=O)=O)c(C)c4)c(N)c6ccccc56 Tox21_202508 -NCGC00260143-01 196703293 tox21-ror-cho-viability-p1 set1 4 1.37567509 -0.32303002 -0.14623303 4.3507484 1.10812376 -1.63253319 8.22999935 4.85550956 1.69219941 0.23358638 0.68160577 7.0209842 2.41372106 1.22929109 6.7523782 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041229999999 0.00009218 7631-99-4 24268 144209793 Sodium nitrate [Na+].[O-][N+]([O-])=O Tox21_202595 -NCGC00260035-01 196703699 tox21-ror-cho-viability-p1 set1 -2.4 67.1274458943 -24.802985304 -1 -25.802985304 4.4494702849 0.790558943 0.0096864214 -1.61682873 -1.68762976 1.47239184 -0.78656136 -0.87954788 1.84810446 0.05237209 -1.15439586 -1.10749591 0.34058199 -1.74182177 -9.63105132 -1.20860222 -3.39571589 -20.66915442 1.159E-9 2.592E-9 5.795E-9 1.2959999999E-8 2.898E-8 6.479E-8 1.449E-7 3.24E-7 7.244E-7 0.00000162 0.000003622 0.000008099 0.000018109999999 0.00004049 0.000090549999999 532-82-1 10771 144209684 A C C.I. Basic Oange 2 Cl.Nc2ccc(\N=N/c1ccccc1)c(N)c2 Tox21_202486 -NCGC00356965-01 196703712 tox21-ror-cho-viability-p1 set1 4 -6.62541315 -3.84943852 -9.8915842 1.64197326 -3.93673699 -17.62675752 -7.37047704 -11.97931605 -0.45878274 -8.92573916 -7.56164625 -15.67430767 -8.78969077 -8.48956341 -17.20813624 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2481-94-9 17204 251919768 A C.I. Solvent Yellow 56 CCN(CC)c1ccc(cc1)/N=N/c2ccccc2 Tox21_303805 -NCGC00357134-01 196704117 tox21-ror-cho-viability-p1 set1 4 11.8832183006 -13.8254716 0.5 -13.3254716 1.2221 0.586188634 0.1075375406 -3.84447114 1.08116819 5.99924304 -0.23096091 3.79484022 0.37954215 -4.30631983 -4.43466761 5.00094972 1.5817269 -0.74517663 -2.98631353 -6.49122904 -6.65666841 -11.937893 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 144171-61-9 9936739 251919757 A (+-)-Indoxacarb FC(F)(F)Oc1ccc(cc1)N(C(=O)OC)C(=O)N2N=C3c4ccc(Cl)cc4CC3(OC2)C(=O)OC Tox21_303872 -NCGC00357015-01 196704126 tox21-ror-cho-viability-p1 set1 4 -5.53531962 -7.67244727 -2.04856111 -17.86730377 -13.4070781 -6.63616818 -15.12904246 -8.34355237 -1.6833976 -9.07582194 -4.13143399 -10.81242525 -11.86754386 -6.11852101 -7.41717956 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 35141-30-1 118771 251919793 Fns N-(2-Aminoethyl)-N'-[3-(trimethoxysilyl)propyl]ethane-1,2-diamine CO[Si](CCCNCCNCCN)(OC)OC Tox21_303768 -NCGC00257853-01 196730340 tox21-ror-cho-viability-p1 set3 4 15.3553036427 14.7471044519 -1.2471044519 13.5 2.3331733767 0.9207373371 0.000099574 -0.37589108 -1.96264322 -2.17383863 -1.52195 -2.10354398 0.24370451 0.30995655 -1.26506842 -1.69235752 0.1719027 -2.28925371 0.21880854 9.39252593 8.91148706 15.39798663 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1684-40-8 2723754 144207497 A A 1,2,3,4-Tetrahydro-9-acridinamine hydrochloride Cl.Nc1c3ccccc3nc2CCCCc12 Tox21_200299 -NCGC00258845-01 196721322 tox21-ror-cho-viability-p1 set3 4 -10.69778663 -4.06876094 -0.24440094 8.13321927 -4.6042673 0.03576191 -6.38700867 -6.05306829 -0.87031624 -0.19131539 -9.27196994 5.26915725 -4.75989468 2.48425162 0.5872019 1.197E-9 2.677E-9 5.987E-9 1.339E-8 2.993E-8 6.693E-8 1.497E-7 3.347E-7 7.4829999999E-7 0.000001673 0.000003742 0.000008366 0.00001871 0.00004183 0.00009354 59-50-7 1732 144208491 A A 4-Chloro-3-methylphenol Oc1ccc(Cl)c(C)c1 Tox21_201293 -NCGC00259366-01 196720904 tox21-ror-cho-viability-p1 set3 4 -7.42696845 -0.22005334 -2.18193977 -6.36912471 -5.3038527 -3.08188048 -2.31442791 -0.7168074 -6.20546704 -4.22883465 -9.04711293 -9.18870519 -0.7337599 -7.1954321 -6.18483257 1.167E-9 2.609E-9 5.835E-9 1.305E-8 2.917E-8 6.524E-8 1.459E-7 3.262E-7 7.294E-7 0.000001631 0.0000036469999999 0.0000081549999999 0.00001823 0.00004077 0.00009117 2303-17-5 5543 144209015 A A Tri-allate Cl/C(Cl)=C(\Cl)CSC(=O)N(C(C)C)C(C)C Tox21_201817 -NCGC00090702-02 196713389 tox21-ror-cho-viability-p1 set2 4 -1.06095834 -1.29376826 -1.94002693 -0.01854189 -0.05400121 -1.99056292 1.08698352 -2.54734595 -0.81456295 -3.60187804 -2.96059708 -4.25548654 -7.17029724 -2.69473414 0.26292128 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00091044-02 196712975 tox21-ror-cho-viability-p1 set2 4 0.09304225 -1.80012313 -2.71435777 -1.38075757 -0.45624328 -1.15907293 -0.62723023 -1.87412016 0.15071443 -1.41645218 -3.29340011 -2.27267538 0.89081671 -1.46217903 -0.67859977 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00166218-02 196712982 tox21-ror-cho-viability-p1 set2 -2.4 16.7854920005 -32.627604196 -3.20790344 -35.835507636 0.8999999999 0.9204562132 0.0001007359 -2.40528757 -5.55407836 -1.0065862 -4.10580143 -1.87573856 -2.50742448 -5.68395714 -2.06020646 -5.58992905 -6.6226362 -8.44363531 -13.0706729 -11.77765426 -18.10172977 -29.86292303 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 587-90-6 9509 170465744 B 4,4'-Dinitrodiphenylurea O=C(Nc1ccc(cc1)[N+]([O-])=O)Nc2ccc(cc2)[N+]([O-])=O Tox21_112354_1 -NCGC00253667-01 196712986 tox21-ror-cho-viability-p1 set2 4 2.78664503 4.71491964 2.34344823 -1.89522103 -1.03859037 1.45973778 -0.16194807 4.66356257 0.02854677 -0.74770966 3.36436436 -0.42912364 2.14154979 0.92808342 2.25003761 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3721-95-7 19494 170466665 Z A Cyclobutanecarboxylic acid O=C(O)C1CCC1 Tox21_113791 -NCGC00159559-03 196713406 tox21-ror-cho-viability-p1 set2 4 2.09175399 3.88423202 0.12498929 5.82321918 3.0223535 1.66070239 3.34143088 0.67070636 3.93623301 0.10371851 0.6973973 2.4140963 0.34185792 0.79282079 0.8862503 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 107724-20-9 443872 170465283 A Eplerenone O=C(OC)[C@@H]4CC1=CC(=O)CC[C@]1(C)[C@@]65O[C@@H]6C[C@@]3(C)[C@@H](CC[C@]23CCC(=O)O2)[C@H]45 Tox21_111746_1 -NCGC00090701-06 196713408 tox21-ror-cho-viability-p1 set2 4 4.11903301 -7.34416222 -7.18887976 -6.78256314 -2.5447568 -2.8198322 1.78482119 3.34585954 -5.03562421 -5.14118846 2.31554218 0.85979268 -3.42885864 1.72633394 1.33003021 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00015264-13 196713411 tox21-ror-cho-viability-p1 set2 4 -5.20417257 -4.71309105 -3.70124984 -3.83672171 -1.85041446 -1.69303386 -4.32731421 -4.92312927 -1.82058057 -0.27121343 -1.60247575 -4.20773683 -1.96286366 -1.50837916 -5.90075211 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 303-49-1 2801 170464702 A Clomipramine hydrochloride CN(C)CCCN2c3ccccc3CCc1ccc(Cl)cc12 Tox21_110117_1 -NCGC00167537-02 196713820 tox21-ror-cho-viability-p1 set2 4 5.7973676 2.41206449 4.1591568 4.14184268 1.55055084 4.51639339 2.63967802 1.74381995 4.55262048 -0.2049189 0.72251723 1.7757028 0.17577774 0.24406302 1.8970197 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 120011-70-3 5741 170464858 A Donepezil hydrochloride Cl.COc1cc2C(=O)C(Cc2cc1OC)CC4CCN(Cc3ccccc3)CC4 Tox21_112534_1 -NCGC00161670-06 196713826 tox21-ror-cho-viability-p1 set2 4 -0.30223245 6.86643703 0.13626836 -0.73064495 0.12208398 0.14210375 0.92361747 0.31634844 1.49222605 -0.41796071 -4.27248264 0.14310868 -6.1481701 1.3197368 -0.60669821 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26305-03-3 5478883 170466543 A Pepstatin OC(=O)C[C@H](O)[C@@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)CC(C)C Tox21_111747_1 -NCGC00257098-01 196727553 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -17.1529581 -1.5 -18.6529581 4.9549173134 0.8594509392 0.0017013205 -1.70823469 -4.75647411 -2.69785035 -4.61783042 0.09979765 -0.84993467 -0.58988469 -1.83765801 -0.62595698 -0.12628236 -1.28930058 -1.27444714 -1.98570861 -2.1372643 -15.54413175 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 500-66-3 10377 144213649 A A Olivetol Oc1cc(CCCCC)cc(O)c1 Tox21_303332 -NCGC00256937-01 196727139 tox21-ror-cho-viability-p1 set3 4 0.0968854161 -6.429375292 -1 -7.429375292 1.21 0.5007619192 0.1958857017 -1.42062571 -1.00628681 0.7119796 -5.56789461 -0.37104743 -2.19942295 -3.02397981 -10.39234884 -9.77953083 -4.80602802 -2.58974041 -10.77447941 -5.38478671 -9.5383743 -2.1766389 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-27-0 8042 144213488 A Fns Isopropyl tetradecanoic acid CC(C)OC(=O)CCCCCCCCCCCCC Tox21_303171 -NCGC00256717-01 196727532 tox21-ror-cho-viability-p1 set3 4 0.0027886223 9.374442756 -5.874442756 3.5 1.0999999999 0.4445487438 0.2321517376 -4.06203563 -1.15077513 2.50011611 -0.49956367 2.2410495 3.62724869 3.50799427 6.76044352 7.60407246 3.85763672 0.6477063 0.20395065 2.21843918 0.35681175 7.03082516 1.0909999999E-9 2.44E-9 5.4559999999E-9 1.22E-8 2.7279999999E-8 6.0999999999E-8 1.3639999999E-7 3.05E-7 6.82E-7 0.0000015249999999 0.00000341 0.000007625 0.00001705 0.00003813 0.00008525 151-73-5 65478 144212784 A F Betamethasone 21-phosphate disodium [Na+].[Na+].[O-]P([O-])(=O)OCC(=O)[C@@]4(O)[C@@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_302467 -NCGC00257498-01 196707411 tox21-ror-cho-viability-p1 set1 4 -4.78189629 1.0773393 -4.1874003 -3.82725698 -0.99606133 -2.19389827 -1.41541572 1.2683934 -1.13559211 -4.17692667 -2.10803078 -3.00277671 -2.20827425 -0.94381827 -1.64997328 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 588941-45-1 59086459 144213669 A A PharmaGSID_48506 O=C(Nc1cnccn1)[C@H](CC2CCCC2)c3ccc(c(Cl)c3)S(C)(=O)=O Tox21_303352 -NCGC00259341-01 196706574 tox21-ror-cho-viability-p1 set1 4 17.1238618846 -23.782616064 3.5 -20.282616064 1.21 0.7803852031 0.0116981318 -0.17924319 6.44331251 4.51205792 6.14638759 3.03964152 1.07123381 0.01269731 -1.096893 3.74430055 12.22275039 -1.77210936 -6.22719838 -9.66934484 -10.61636152 -19.81884672 1.1739999999E-9 2.626E-9 5.871E-9 1.3129999999E-8 2.9349999999E-8 6.564E-8 1.468E-7 3.282E-7 7.339E-7 0.000001641 0.000003669 0.000008205 0.00001835 0.00004102 0.00009173 57-83-0 5994 144208990 A A Progesterone CC(=O)[C@H]2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_201792 -NCGC00259829-01 196706588 tox21-ror-cho-viability-p1 set1 4 27.0840205159 -11.0967146639 1 -10.0967146639 4.9549173134 0.4305573977 0.2430548179 3.2246442 -5.83496226 3.97890409 -10.49726222 4.08003496 0.85088648 5.00969925 3.32581935 0.25328829 5.59399436 0.89283124 0.21298255 -0.4464361 -8.78942665 -10.09101777 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.552E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.000003662 0.00000819 0.00001831 0.00004095 0.00009156 27138-31-4 101560 144209478 A A Di(propylene glycol) dibenzoate CC(OC(=O)c1ccccc1)COCC(C)OC(=O)c2ccccc2 Tox21_202280 -NCGC00256982-01 196706996 tox21-ror-cho-viability-p1 set1 4 6.1130564862 10.5468100999 -11.0468100999 -0.5 4.9549173134 0.4150842148 0.2572759472 0.52151033 -9.47120571 -14.54897423 -10.35023394 -11.65628571 -9.44815563 -3.91890344 -10.04505705 -11.45004338 -23.37234175 -17.64559397 0.65399611 -2.64572431 -0.21945345 -0.11868168 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 97-86-9 7352 144213644 Fns Isobutyl methacrylate CC(=C)C(=O)OCC(C)C Tox21_303327 -NCGC00257357-01 196707418 tox21-ror-cho-viability-p1 set1 4 0.0040321278 -20.0777639159 6 -14.0777639159 0.4 0.559781617 0.1277393882 2.04845522 -3.48116432 -8.50174707 -2.87400059 -4.16019593 -14.61192933 -6.13398247 -10.38900714 -4.81026332 -12.20772216 -16.25344628 -20.48146993 -11.18968023 -11.9400805 -12.64040842 7.579E-10 1.6949999999E-9 3.789E-9 8.473E-9 1.895E-8 4.2369999999E-8 9.4729999999E-8 2.1179999999E-7 4.737E-7 0.000001059 0.0000023679999999 0.000005296 0.00001184 0.00002648 0.00005921 129453-61-8 104741 144213958 F F Fulvestrant FC(F)(F)C(F)(F)CCCS(=O)CCCCCCCCC[C@@H]2Cc1cc(O)ccc1[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@H]23 Tox21_303656 -NCGC00257088-01 196707426 tox21-ror-cho-viability-p1 set1 4 5.77912892 1.79694053 1.86648645 2.49583068 3.37307925 -4.94422861 -3.15983133 -3.04361115 3.96413351 6.90134331 2.89053655 6.74253455 2.16804243 4.71147134 -3.37621824 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-19-0 7913 144213508 F A Imidodicarbonic diamide NC(=O)NC(N)=O Tox21_303191 -NCGC00257340-01 196707831 tox21-ror-cho-viability-p1 set1 -2.1 68.5896218971 -76.5066064082 -9.712405147 -86.2190115552 4.9549173134 0.9243304594 0.0000773082 -4.27391149 -8.60292238 -11.71803631 -15.08950934 -12.12311816 -13.12029535 -10.28895912 -14.36688107 -14.93171312 -15.20510816 -4.66233459 -2.97708111 -2.73862145 -12.2602226 -71.99921552 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107071-66-9 129491 144213881 A A Ro 23-7637 O=C(CCCCCCCCc1cccnc1)N4CCC(\C=C(/c2ccccc2)c3ccccc3)CC4 Tox21_303576 -NCGC00091632-02 196707835 tox21-ror-cho-viability-p1 set1 4 -11.36468256 -4.60266323 -14.31578075 -11.02648863 -8.16989725 -14.28889375 -3.33635008 -14.25219489 -19.31545418 -11.85233709 -16.14596171 -7.70110474 -9.09240494 -17.78697564 -13.63666842 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00167781-06 196704954 tox21-ror-cho-viability-p1 set1 4 -3.22070939 -0.94704739 0.28872494 -1.4290808 0.33482969 0.52617656 -1.39134918 -0.5849638 -1.15877972 0.50983387 5.17744772 -1.16182622 1.27584326 -1.05207509 4.49145569 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 200707-85-3 60196365 170465029 A Cetirizine amide dihydrochloride Cl.Cl.NC(=O)COCCN1CCN(CC1)C(c2ccc(Cl)cc2)c3ccccc3 Tox21_113602_1 -NCGC00015523-13 196704526 tox21-ror-cho-viability-p1 set1 -3 33.4914596268 -47.242675566 2.118184671 -45.124490895 4.9549173134 0.9420169444 0.0000188342 0.23816875 0.95348724 0.19403522 3.30191692 0.45810434 1.95373908 -0.08524058 8.04771806 2.15563926 -0.96727399 5.97458613 2.07377795 1.5264056 1.98442256 -39.58858852 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123-31-9 785 170464661 F Hydroquinone Oc1ccc(O)cc1 Tox21_110169_1 -NCGC00016879-06 196704936 tox21-ror-cho-viability-p1 set1 4 0.74511012 -0.97739848 -2.01223407 2.6843253 -0.23993358 -1.57381303 -3.83048937 -3.46117793 -1.89902916 2.18060799 2.68282554 -0.04664352 3.28654874 4.83600593 3.36679848 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56211-40-6 41781 170465279 A Torsemide O=S(=O)(NC(=O)NC(C)C)c2cnccc2Nc1cc(C)ccc1 Tox21_110662_1 -NCGC00091645-07 196726112 tox21-ror-cho-viability-p1 set3 4 6.6824247267 -7.0562144 4.5 -2.5562144 4.9549173134 0.4194558667 0.2721146358 1.42800173 1.20297434 7.11972916 6.04013952 -1.31942743 5.17903001 2.59591278 8.55991067 6.36556139 4.59531794 5.79559389 7.68320695 -2.963512 -1.72355802 2.73409312 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 121-33-5 1183 170466786 A 4-Hydroxy-3-methoxybenzaldehyde Oc1ccc(cc1OC)C=O Tox21_113534_1 -NCGC00162385-04 196725696 tox21-ror-cho-viability-p1 set3 4 2.23638889 0.09784353 0.85610387 0.76923189 2.05828802 0.27966866 2.44221287 -0.34145056 -0.385495 1.14547042 -0.77033642 0.68712809 -0.9431011 0.18574073 0.03508699 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 119615-63-3 115227 170465898 Z Olprinone Cl.N#CC3=CC(c1ccc2nccn2c1)=C(C)NC3=O Tox21_111287_1 -NCGC00018258-10 196725700 tox21-ror-cho-viability-p1 set3 4 0.0059557173 10 1 11 4.9549173134 0.4358913129 0.2546401231 1.37970132 1.31383468 0.95526021 7.0981888 15.43147209 11.38781781 14.45672752 1.04534912 5.49337018 9.58834087 15.73795964 5.71202573 12.89251618 19.97660407 -7.92424386 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 24169-02-6 68589 170465422 A Econazole nitrate [O-][N+](=O)O.Clc3ccc(C(OCc1ccc(Cl)cc1)Cn2ccnc2)c(Cl)c3 Tox21_110852_1 -NCGC00024868-09 196725705 tox21-ror-cho-viability-p1 set3 4 4.36514511 2.19372854 0.79098417 -0.47987873 2.21581464 2.04900592 11.47288131 5.45532069 -0.3519969 16.4952414 2.54075424 -1.78210677 2.86423194 4.66268245 9.43340719 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104344-23-2 5281064 170464815 A Bisoprolol fumarate O=C(O)/C=C/C(=O)O.CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.CC(C)NCC(O)COc1ccc(cc1)COCCOC(C)C Tox21_111262_1 -NCGC00159458-05 196726114 tox21-ror-cho-viability-p1 set3 -2.2 21.1316824289 -48.4165302781 -3.007615723 -51.4241460011 2.2526478767 0.9083519297 0.000207576 -0.25286285 -10.07820416 1.04217733 -2.27674613 0.2032392 -1.24264228 -0.50832876 -5.08696246 -10.41338599 -5.53483966 -3.91839625 1.57301632 -9.46144094 -27.95283278 -43.50314091 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 134523-03-8 60822 170465113 A Atorvastatin calcium [Ca+2].O[C@H](CCn1c(c(c(c1C(C)C)C(=O)Nc2ccccc2)c3ccccc3)c4ccc(F)cc4)C[C@@H](O)CC([O-])=O.[O-]C(=O)C[C@H](O)C[C@H](O)CCn4c(c1ccc(F)cc1)c(c2ccccc2)c(C(=O)Nc3ccccc3)c4C(C)C Tox21_111685_1 -NCGC00015110-09 196726116 tox21-ror-cho-viability-p1 set3 4 0 0 2.23493204 -1.77809414 -3.31753862 -5.00807026 -5.57870863 -2.84644734 -4.91303551 -1.81017434 -1.87335378 0.94809191 -3.97498272 1.98629605 -5.84911093 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 125-84-8 2145 170465259 A Aminoglutethimide CCC1(CCC(=O)NC1=O)c2ccc(N)cc2 Tox21_110406_1 -NCGC00260045-01 196724518 tox21-ror-cho-viability-p1 set3 4 0.1521487099 6.6826329359 -4.6826329359 2 3.9899729863 0.7305670529 0.0262539393 -3.8470171 -4.12082637 -6.22481389 -6.81886078 -1.16316283 -4.51168893 -1.37832378 2.59368102 1.2990066 3.44073076 1.72310646 2.31479603 -1.74175773 0.1357615 4.96731586 1.171E-9 2.618E-9 5.8529999999E-9 1.3089999999E-8 2.927E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.317E-7 0.0000016359999999 0.000003658 0.0000081809999999 0.00001829 0.0000409 0.00009146 NOCAS_24824 5284361 144209694 F F Chlorinated paraffins:C12, 60% chlorine ClC(CC(Cl)C(Cl)CCC(Cl)CC)C(Cl)C(Cl)CCl Tox21_202496 -NCGC00357023-01 196724528 tox21-ror-cho-viability-p1 set3 4 11.77779402 2.61601049 2.34096865 8.60872773 8.42783849 13.03041645 11.33757427 14.29432771 11.68153104 8.48991109 13.94160067 12.7761945 8.80113042 7.73477915 12.4930926 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 16356-11-9 61832 251919817 Fns 1,3,5-Undecatriene C=CC=CC=CCCCCC Tox21_303704 -NCGC00257523-01 196714588 tox21-ror-cho-viability-p1 set2 4 -2.96085513 1.78644723 1.03368965 -3.11774227 -3.27601133 1.40645711 1.90398315 -2.40377852 -3.23132008 -1.00387196 -1.64326497 -0.67189251 -0.07738553 -0.30265378 1.63245919 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25168-05-2 7931 144211239 FNS Chlorotoluene Cc1cc(Cl)ccc1 Tox21_300922 -NCGC00091146-04 196713772 tox21-ror-cho-viability-p1 set2 4 21.6899429044 -12.498456196 0.5 -11.998456196 4.9549173134 0.8841704221 0.0006733967 1.83662108 0.87707532 2.68071303 0.19894145 1.48940684 1.05407052 1.30120533 0.32199567 1.43725685 0.42140324 -1.98708511 -1.4636212 -3.51149923 -14.58204683 -9.27201834 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00254979-01 196714170 tox21-ror-cho-viability-p1 set2 4 0.24618871 0.8644844 3.82351286 1.71985588 -0.9690366 -0.64177185 2.11036034 1.14097299 0.65705317 0.3014941 3.80221615 5.44311885 4.41240915 -0.09563322 0.86457661 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 141-66-2 5371560 144211395 A A Dicrotophos O=P(OC)(OC)OC(\C)=C\C(=O)N(C)C Tox21_301078 -NCGC00254293-01 196714173 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -51.887806694 -3.778341717 -55.666148411 4.9549173134 0.9539838028 0.0000053374 -4.81246956 -2.96716996 -1.99467562 -3.08382096 -2.17990862 -6.93301018 -4.71192389 -2.93040501 -7.05208862 -7.75553624 -3.68912471 1.61980732 -2.13842168 -6.09723343 -46.16360985 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55285-14-8 41384 144210791 A Fc Carbosulfan CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12 Tox21_300473 -NCGC00090987-03 196715012 tox21-ror-cho-viability-p1 set2 4 1.44468486 0.7305041 1.66939348 -0.30132004 0.30015684 1.92783643 2.02738666 0.73746156 0.87803668 1.79961042 0.4600753 6.72660832 5.86249909 0.25377534 -3.63466773 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00090704-03 196715021 tox21-ror-cho-viability-p1 set2 4 61.130564862 18.3511932601 0.6488067399 19 1.21 0.8141754905 0.0059182871 0.49166248 0.35628559 0.52248141 -0.07191916 -0.08676898 0.38878299 -0.29266105 0.61979686 0.07773802 1.45318577 0.55081656 4.83281428 5.18514745 3.1326617 14.95798343 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00258436-01 196715434 tox21-ror-cho-viability-p1 set2 4 54.6489338392 9.0020328879 -3.0020328879 6 4.4494702849 0.4804291956 0.1987036494 -4.49924818 -0.25630189 -1.38130471 -0.24620488 -6.66836074 -4.6148396 -0.70435949 1.22948018 -5.73627268 -4.84228152 -2.887516 -4.81747332 -3.76366802 -0.72580909 5.36179678 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.397E-7 0.0000016539999999 0.0000036979999999 0.0000082699999999 0.000018489999999 0.00004135 0.000092459999999 2107-76-8 5354284 144208080 A A 5,7-Dihydroxy-4-methylcoumarin Oc2cc(O)cc1OC(=O)C=C(C)c12 Tox21_200882 -NCGC00163919-02 196715840 tox21-ror-cho-viability-p1 set2 4 31.355862613 -10.0208625 0.5 -9.5208625 4.5044702849 0.8984010588 0.0003587212 -0.81168947 0.83207699 -0.25004816 2.46333608 -0.62227534 2.80085009 -0.33906125 2.11770095 0.65709109 0.52253867 0.66481079 0.51670757 -0.09687287 -7.12985672 -9.60071875 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00258397-01 196715846 tox21-ror-cho-viability-p1 set2 4 1.81338797 0.26847184 1.74264164 0.12007489 0.76553838 3.80771518 0.38763311 0.01852085 4.67594607 0.24759476 1.28683453 1.68732282 -0.10907863 -4.12294851 0.63115677 1.197E-9 2.677E-9 5.986E-9 1.338E-8 2.993E-8 6.6919999999E-8 1.496E-7 3.346E-7 7.482E-7 0.000001673 0.000003741 0.000008366 0.00001871 0.00004183 0.00009353 112-15-2 8165 144208041 A A 2-(2-Ethoxyethoxy)ethyl acetate CCOCCOCCOC(C)=O Tox21_200843 -NCGC00258059-01 196715851 tox21-ror-cho-viability-p1 set2 4 -1.45582137 -0.81661809 1.12110401 1.79010915 -0.38172093 -0.09129089 -0.81446215 0.96799451 0.70073704 0.12377365 -0.54893633 0.12621003 1.51270113 2.13238285 1.02635636 1.198E-9 2.6779999999E-9 5.989E-9 1.339E-8 2.994E-8 6.6949999999E-8 1.497E-7 3.3479999999E-7 7.486E-7 0.0000016739999999 0.0000037429999999 0.0000083689999999 0.00001871 0.00004185 0.000093569999999 98-85-1 7409 144207703 A A alpha-Methylbenzyl alcohol CC(O)c1ccccc1 Tox21_200505 -NCGC00258075-01 196715853 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -12.7387569919 1.5 -11.2387569919 4.9549173134 0.7243230529 0.0287161313 2.60876025 3.81985842 1.44643136 -1.23618762 -0.17732603 3.80654591 0.19196369 0.81646257 3.34924401 2.56857027 3.65750072 2.30434352 -0.97213871 0.72472228 -8.94896416 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004124 0.00009223 719-22-2 12867 144207719 D 2,6-Bis-(1,1-dimethylethyl)-2,5-cyclohexadiene-1,4-dione CC(C)(C)C1=CC(=O)C=C(C1=O)C(C)(C)C Tox21_200521 -NCGC00254033-01 196714612 tox21-ror-cho-viability-p1 set2 4 0.71580842 0.41994354 1.80695502 0.06009253 1.6810048 0.51970442 -3.90167979 -3.38936988 -0.80031831 0.60400156 2.46584671 0.21161439 -2.64797255 -3.19383824 1.15897789 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 862243-29-6 24798733 144210572 A A AVE9423 O=C(O)c1ccccc1N4C=C(C(=O)c3cc(Nc2c(F)cc(F)cc2Cl)c(Cl)cc34)C(=O)O Tox21_300252 -NCGC00260434-01 196711525 tox21-ror-cho-viability-p1 set2 4 0.68950622 -1.44839517 3.49614891 -1.47127615 -1.07122532 -1.86192564 -2.11247568 -2.15588743 0.51884307 -0.12186703 3.46350607 1.45781939 -0.78625628 -3.05293535 -0.88526404 1.194E-9 2.6689999999E-9 5.969E-9 1.335E-8 2.985E-8 6.6739999999E-8 1.4919999999E-7 3.337E-7 7.4609999999E-7 0.000001668 0.0000037309999999 0.000008342 0.00001865 0.00004171 0.000093269999999 26444-49-5 6528 144210086 C C Cresyl diphenyl phosphate O=P(Oc1ccccc1)(Oc2ccc(C)cc2)Oc3ccccc3 Tox21_202888 -NCGC00260272-01 196711529 tox21-ror-cho-viability-p1 set2 -2.1 30.501495367 -104.1524333334 -3.709215847 -107.8616491804 0.6 0.7826075627 0.0111807244 -1.58022097 -3.41190624 -11.72600828 -7.03786799 -5.67497411 -7.25278449 0 -22.56806212 -0.3392915 0 -52.34300365 -51.43913877 -33.01072944 -53.77007496 -82.09215847 1.2939999999E-9 2.8939999999E-9 6.4699999999E-9 1.447E-8 3.2349999999E-8 7.234E-8 1.6179999999E-7 3.617E-7 8.0879999999E-7 0.000001809 0.000004044 0.000009043 0.00002022 0.000045209999999 0.00010109999999 1166-52-5 14425 144209922 A A Dodecyl gallate Oc1cc(cc(O)c1O)C(=O)OCCCCCCCCCCCC Tox21_202724 -NCGC00090721-03 196711120 tox21-ror-cho-viability-p1 set2 4 4.29827256 4.25600687 2.6781068 1.91227942 2.94860598 2.34621049 0.62938574 -0.05604185 -0.10323101 0.57233641 0.49558868 0.64932717 0.2909049 3.15061511 5.94091753 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00255728-01 196711122 tox21-ror-cho-viability-p1 set2 4 0.0015355304 14.911129616 -15.911129616 -1 4.9549173134 0.607909475 0.0921519956 -13.25927468 -0.06884675 -8.39778553 0.50043715 -2.73661624 -0.6057725 -1.31248258 0.75863653 2.27905469 1.34977582 -1.69710483 -0.58848607 -0.14800788 -2.92382922 -1.33286008 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21799-87-1 23672329 144212413 A A Potassium 2,5-dihydroxybenzenesulfonate [K+].Oc1ccc(O)cc1S(=O)([O-])=O Tox21_302096 -NCGC00260493-01 196711530 tox21-ror-cho-viability-p1 set2 -2.4 48.5083571201 -30.7347662519 5 -25.7347662519 2.5334283767 0.9612077328 0.0000020778 3.94632246 3.65331806 4.91216267 5.16205536 6.33247077 4.12583201 6.88924019 7.09249492 7.93864848 2.51129591 4.29945496 4.6479796 3.01075967 -7.44985581 -20.61230521 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.000001648 0.000003684 0.000008238 0.00001842 0.00004119 0.000092099999999 82-86-0 6724 144210145 A A Acenaphthenequinone O=C3c2cccc1cccc(c12)C3=O Tox21_202947 -NCGC00260378-01 196711939 tox21-ror-cho-viability-p1 set2 4 -4.02806946 -2.54225709 -3.84025734 -2.5920096 -4.12955154 1.06616561 -5.61297406 2.71688406 -4.12748018 0 -0.82435125 -4.01560849 0 -4.69341717 -0.17690708 1.19E-9 2.6619999999E-9 5.9519999999E-9 1.331E-8 2.976E-8 6.655E-8 1.4879999999E-7 3.3269999999E-7 7.44E-7 0.0000016639999999 0.00000372 0.000008319 0.0000186 0.00004159 0.000093 41372-20-7 107882 144210030 A A Apomorphine hydrochloride hydrate Cl.Cl.O.Oc3ccc4C[C@@H]1c2c(cccc2CCN1C)c4c3O.Oc3ccc2C[C@@H]1c4c(CCN1C)cccc4c2c3O Tox21_202832 -NCGC00260629-01 196711948 tox21-ror-cho-viability-p1 set2 4 11.8832183006 10.175470244 -0.175470244 10 3.5117481694 0.8259870613 0.0044743377 -1.53422337 2.73345 -0.6671296 1.28574626 -1.15666899 -1.81289187 -1.5382407 0.74357337 3.09082041 -1.05521574 0.06447178 0.26898695 2.8250107 9.12025603 9.35404715 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49525 144210282 M M NTP Mix105 ER1 10-EQC Tox21_203084 -NCGC00260375-01 196711951 tox21-ror-cho-viability-p1 set2 4 19.3311819617 14.4072475959 -15.8075197559 -1.40027216 4.9549173134 0.3106053353 0.356937939 -3.34622653 -19.93463552 -17.98130124 -7.1439889 -6.11535831 -20.58642103 -14.96756286 -11.24396196 -14.54952032 -30.67293313 -15.61402829 -29.31774718 -9.55010546 -2.65909236 -0.7502268 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.000003688 0.000008248 0.00001844 0.00004124 0.000092209999999 3789-59-1 6993773 144210027 A Fc (S)-(-)-1-Amino-1-phenylpropane N[C@@H](CC)c1ccccc1 Tox21_202829 -NCGC00260079-01 196712350 tox21-ror-cho-viability-p1 set2 -3 69.0781761974 -74.4201966587 -3.958637643 -78.3788343017 4.9549173134 0.9267823385 0.0000650709 -0.72495918 -0.09377822 -2.97763923 -5.8959641 -5.29718473 -1.67113049 -16.13814979 -7.98094886 -1.31206103 -7.22710998 -0.74577903 0 -6.45600731 -5.6365824 -64.58637643 1.187E-9 2.653E-9 5.9329999999E-9 1.327E-8 2.966E-8 6.633E-8 1.4829999999E-7 3.317E-7 7.416E-7 0.0000016579999999 0.000003708 0.000008291 0.00001854 0.00004146 0.0000927 10026-13-8 24819 144209728 Phosphorus pentachloride ClP(Cl)(Cl)(Cl)Cl Tox21_202530 -NCGC00357020-01 196712357 tox21-ror-cho-viability-p1 set2 4 -0.42850036 0.00189277 -7.2368676 -5.02970452 -17.32407937 -4.25124929 -2.41950969 -8.25482138 -6.2122531 -10.96594264 -5.61063715 -2.50082669 -15.28622676 5.32177569 -11.85722125 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2859-67-8 17861 251919664 A 3-(3-Pyridyl)-1-propanol OCCCc1cccnc1 Tox21_303737 -NCGC00015471-08 196712782 tox21-ror-cho-viability-p1 set2 4 26.6032120037 12.353366928 -2.353366928 10 1.59358881 0.7212254668 0.0300057832 -2.92361918 -3.98421001 -1.7876218 -2.1657975 -4.47444883 -0.59331441 -1.67815449 -5.29447244 -4.09256856 -0.28631226 0.66509379 -1.34104988 -1.06637838 2.27799147 6.80594803 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82410-32-0 3454 170464961 A Ganciclovir OCC(CO)OCn2cnc1c2N=C(N)NC1=O Tox21_110160_1 -NCGC00092384-03 196713180 tox21-ror-cho-viability-p1 set2 4 2.72777778 3.93358409 -0.43685722 4.11932691 2.36916922 1.76902757 -1.14500805 1.79413642 1.50527806 -0.6469734 -0.18462924 1.76731387 1.05729422 -1.32799325 0.82031521 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57653-26-6 162834 170466272 A Fenobam O=C2N=C(NC(=O)Nc1cccc(Cl)c1)N(C)C2 Tox21_112624_1 -NCGC00258144-01 196730129 tox21-ror-cho-viability-p1 set3 -2.2 30.9496935865 -56.4379869639 1.3191107349 -55.118876229 1.9673362061 0.9016668053 0.0002957309 4.29086395 0.27239999 9.57967135 7.94509629 4.83110818 1.73554102 1.97506798 -0.61397036 -3.3262777 -2.60566899 -9.4938822 -6.97016448 -4.38842682 -36.64175228 -54.03811395 1.19E-9 2.661E-9 5.95E-9 1.331E-8 2.975E-8 6.653E-8 1.4879999999E-7 3.326E-7 7.438E-7 0.000001663 0.000003719 0.000008316 0.00001859 0.00004158 0.00009297 433337-23-6 12040509 144207788 A A 1-Decyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C[n+]1ccn(CCCCCCCCCC)c1 Tox21_200590 -NCGC00257813-01 196730533 tox21-ror-cho-viability-p1 set3 -2.4 0.0244107821 -24.643058552 26 1.356941448 0.7 0.7214886407 0.0291583904 26.08870279 20.53289052 17.51874839 11.12956806 17.2927233 12.81327442 10.68164204 -3.83030358 10.8434928 -3.86921546 -0.91832308 -3.69439196 3.47572566 5.57067161 6.75089142 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004133 0.000092409999999 2402-79-1 16990 144207457 AC B 2,3,5,6-Tetrachloropyridine Clc1cc(Cl)c(Cl)nc1Cl Tox21_200259 -NCGC00258313-01 196730537 tox21-ror-cho-viability-p1 set3 4 -0.67646271 0.68567051 0.8578721 -0.49589994 0.27623293 -0.11525815 0.16389175 -0.63625779 4.6370178 2.41809718 3.22837726 0.70772659 -1.19755694 -1.37207059 0.32382182 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.299E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.00001844 0.00004124 0.00009222 86-00-0 6829 144207957 A A 2-Nitro-1,1'-biphenyl O=[N+]([O-])c2ccccc2c1ccccc1 Tox21_200759 -NCGC00255759-01 196728115 tox21-ror-cho-viability-p1 set3 -1.1 4.3277125691 -73.1201862464 2.1001873579 -71.0199988885 1.331 0.9095909715 0.0001933317 0 -1.66473035 3.52321819 4.04826361 0.78124734 0.98919766 1.44576146 0.03700736 -0.3680343 -13.46983954 -26.18845866 -65.34448789 -53.18653099 -45.51952974 -83.94798923 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 513-92-8 10568 144211945 Tetraiodoethene I/C(I)=C(/I)I Tox21_301628 -NCGC00256684-01 196727711 tox21-ror-cho-viability-p1 set3 4 -5.65203917 -4.9753411 -25.34969064 0 -14.52548772 0 -3.63871153 0 0 0 0 -14.65131052 -8.95727424 -0.83040897 -6.29478354 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1331-81-3 7738 144212838 A D Methoxybenzyl alcohol COc1ccc(CO)cc1 Tox21_302521 -NCGC00258813-01 196721580 tox21-ror-cho-viability-p1 set3 4 22.1539723275 13.6938751799 -7.1938751799 6.5 2.1876167061 0.5861724892 0.1073659533 -12.66156265 -3.83356907 -11.89296579 0.77650221 -4.37563408 -6.48420844 -4.76503491 -8.88705376 -10.30713592 -5.49295903 -9.90675383 -3.58645137 -2.72757584 4.43972797 5.36568503 1.2009999999E-9 2.6849999999E-9 6.005E-9 1.3429999999E-8 3.002E-8 6.714E-8 1.501E-7 3.3569999999E-7 7.506E-7 0.0000016779999999 0.000003753 0.0000083919999999 0.00001876 0.00004196 0.000093819999999 61-76-7 5284443 144208459 A A Phenylephrine hydrochloride Cl.O[C@@H](CNC)c1cc(O)ccc1 Tox21_201261 -NCGC00259125-01 196721184 tox21-ror-cho-viability-p1 set3 4 19.4885590262 7.826930796 -9.654727192 -1.827796396 4.9549173134 0.3790110664 0.293218561 -13.72366859 -11.0066394 -6.35958015 -4.72511118 -10.41931024 -7.64482717 -10.69503138 -8.78917713 -10.12546214 -4.56614879 -8.58391973 -18.46227266 -5.92934076 -0.68983033 -3.25174472 1.188E-9 2.656E-9 5.9389999999E-9 1.3279999999E-8 2.969E-8 6.64E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.000003712 0.0000083 0.00001856 0.0000415 0.00009279 512-56-1 10541 144208774 B Ac Trimethyl phosphate O=P(OC)(OC)OC Tox21_201576 -NCGC00091663-03 196721185 tox21-ror-cho-viability-p1 set3 4 -18.88357516 -10.06502761 -3.41798939 -4.53255846 -5.84037912 -11.32276257 -10.95554843 -16.02460243 -12.92380606 -2.45916454 -13.78362549 -14.27767178 -10.10259132 -7.02583649 -1.25588199 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00259783-01 196721189 tox21-ror-cho-viability-p1 set3 4 55.8151099252 21.061370508 -9.061370508 12 2.6384283767 0.3800360997 0.2908361233 -16.30114209 -10.65935271 -7.53197813 -0.76913295 4.40034422 -15.61671384 -1.83785174 -14.52514321 -12.93922874 -9.0548594 -11.67425079 -13.38098853 -7.06319215 -2.44448398 7.78705313 1.204E-9 2.692E-9 6.019E-9 1.346E-8 3.009E-8 6.729E-8 1.5049999999E-7 3.365E-7 7.5239999999E-7 0.000001682 0.0000037619999999 0.000008412 0.000018809999999 0.00004206 0.00009405 556-82-1 11173 144209432 B A 3-Methyl-2-buten-1-ol C/C(C)=C\CO Tox21_202234 -NCGC00090910-03 196721586 tox21-ror-cho-viability-p1 set3 4 -6.92209011 -6.01144496 -2.28511571 -1.10595168 -1.68558191 -13.9924687 -9.17583825 -5.76737842 -5.21601247 2.38462098 -4.56059918 -5.55114513 -8.68909111 0.73102549 1.41092804 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00259368-01 196721593 tox21-ror-cho-viability-p1 set3 4 -6.00574333 -5.67826553 -3.39773129 -3.34084296 -4.51716206 -5.6837021 -3.6328838 -7.55279849 -6.27669546 -3.91750462 -5.76751874 -2.51385611 -6.54323421 -1.52992721 0.78912527 1.189E-9 2.66E-9 5.9469999999E-9 1.3299999999E-8 2.9739999999E-8 6.649E-8 1.487E-7 3.325E-7 7.4339999999E-7 0.000001662 0.0000037169999999 0.000008312 0.00001859 0.00004156 0.00009293 479500-35-1 11769095 144209017 A A 1-Butyl-1-methylpyrrolidinium chloride [Cl-].CCCC[N+]1(C)CCCC1 Tox21_201819 -NCGC00259222-01 196721981 tox21-ror-cho-viability-p1 set3 4 -0.65281537 -6.50525427 2.39022944 6.43329028 -0.83798397 -2.77231364 -3.10911664 -2.47171238 -0.15530501 2.2004703 -3.58278926 -2.33673167 3.14757203 3.93864456 2.97723488 1.166E-9 2.608E-9 5.832E-9 1.304E-8 2.9159999999E-8 6.521E-8 1.458E-7 3.26E-7 7.2899999999E-7 0.0000016299999999 0.000003645 0.0000081509999999 0.00001823 0.00004075 0.000091129999999 50-24-8 5755 144208871 A A Prednisolone OCC(=O)[C@@]4(O)CC[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_201673 -NCGC00259167-01 196721989 tox21-ror-cho-viability-p1 set3 4 12.0237035672 22.0529257639 -8.0529257639 14 0.9999999999 0.7514119126 0.0190693122 -15.46077147 -9.44309027 -6.20601979 -2.61221361 -7.43324808 -9.56030327 -1.82770321 -14.27443936 -2.6473372 -8.9397097 -0.01455507 0.987262 2.37049424 9.59977298 12.97076342 1.166E-9 2.606E-9 5.8279999999E-9 1.303E-8 2.9139999999E-8 6.515E-8 1.457E-7 3.2579999999E-7 7.284E-7 0.000001629 0.0000036419999999 0.000008144 0.00001821 0.000040719999999 0.00009106 551-92-8 3090 144208816 A A 1,2-Dimethyl-5-nitroimidazole O=[N+]([O-])c1cnc(C)n1C Tox21_201618 -NCGC00253699-01 196722382 tox21-ror-cho-viability-p1 set3 4 0.99228023 0.98748588 2.6461332 -0.54848087 0.23246932 3.25283276 -0.37773666 -1.74635865 -1.08799755 13.9288675 7.73712319 -2.10285147 -0.81269116 2.26705893 2.8143773 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 43076-61-5 2723694 170466732 A A 4'-Tert-butyl-4-chlorobutyrophenone CC(C)(C)c1ccc(cc1)C(=O)CCCCl Tox21_113820 -NCGC00164569-02 196722391 tox21-ror-cho-viability-p1 set3 4 47.307944147 19.830632476 1.169367524 21 0.5 0.3940312184 0.2781821007 0.91494938 5.29079635 -0.64208029 0.5405237 0.41342822 2.14277969 1.02197144 -0.69219373 2.67370129 5.45225478 4.48944002 14.16533005 -0.31228656 3.35995287 16.59965523 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 154361-50-9 60953 170464779 A Capecitabine O=C(OCCCCC)NC1=NC(=O)N(C=C1F)[C@@H]2O[C@H](C)[C@@H](O)[C@H]2O Tox21_112198_1 -NCGC00016646-05 196717043 tox21-ror-cho-viability-p1 set2 4 0.51471988 0.68033376 1.6169372 -0.69505911 3.28459472 -2.47633163 -6.30923914 -0.42288298 -1.28454873 -4.96429427 -4.98233864 -4.37556853 -1.62950299 -2.90350757 -3.02398392 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4093-35-0 2446 170466299 A Bromopride Nc1cc(OC)c(cc1Br)C(=O)NCCN(CC)CC Tox21_110543_1 -NCGC00253759-01 196717039 tox21-ror-cho-viability-p1 set2 4 0.0011883218 13.758112036 -11.258112036 2.5 0.4 0.4785526985 0.1995973017 -4.13731332 -8.13176003 0.92201114 -5.32026069 3.9971636 -1.83661283 -3.23926182 -0.54671724 3.0774472 3.40083172 1.86630134 1.63152875 3.55911137 0.42440595 2.51099554 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 787-93-9 13086 170466362 A F Ameltolide O=C(Nc1c(C)cccc1C)c2ccc(N)cc2 Tox21_113872 -NCGC00015713-13 196717041 tox21-ror-cho-viability-p1 set2 4 0.0029849295 8.3928129399 -8.3928129399 0 2.9022712143 0.5970175199 0.1002824295 -7.29048201 -8.66067745 -3.68506153 -1.41254059 -0.52836244 0.7332342 0.01717183 -0.00744978 -1.07691361 -0.40222543 -6.27616587 -0.53932171 0.18087417 5.19281539 1.15559397 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 39562-70-4 4507 170465897 A Nitrendipine CC=1NC(C)=C(C(C=1C(=O)OCC)c2cccc(c2)[N+]([O-])=O)C(=O)OC Tox21_110201_1 -NCGC00256531-01 196718108 tox21-ror-cho-viability-p1 set2 4 1.98658059 1.89351143 0.19622986 3.76074563 2.9861639 9.98798303 5.05182351 10.01174841 6.90681151 4.88074547 6.25899739 4.39265921 7.28973365 6.05713957 0.43389013 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 693-98-1 12749 144213125 A A 2-Methylimidazole Cc1nccn1 Tox21_302808 -NCGC00015774-06 196717689 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -30.101192912 -3.5 -33.601192912 4.9549173134 0.6587390025 0.0589977403 -5.41147404 -12.72857121 -12.10354321 -1.57595886 -1.72527612 -8.96127568 -1.78442476 -7.5364737 0.04942708 0.93861846 0.27552447 0.37641715 -1.31684954 -0.75586826 -29.66766076 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60607-34-3 4615 170466059 A Oxatomide O=C5Nc1ccccc1N5CCCN2CCN(CC2)C(c3ccccc3)c4ccccc4 Tox21_110219_1 -NCGC00257385-01 196718093 tox21-ror-cho-viability-p1 set2 4 4.25229519 2.20625294 2.79225764 3.0384699 3.3575793 2.95957107 1.03415071 -0.78455604 2.98525315 0.82341328 1.41637474 2.16571132 2.46403465 4.22727977 -0.46462084 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 37764-25-3 37829 144213773 A A Dichlormid ClC(Cl)C(=O)N(CC=C)CC=C Tox21_303463 -NCGC00256893-01 196718098 tox21-ror-cho-viability-p1 set2 4 -1.27152324 0.4566567 0.22128315 0.13353603 4.91447462 4.73326502 3.60526291 2.21816436 0.10284023 2.69652479 0.23552496 -2.46950656 0.2602972 0.69421975 4.45519722 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 543-49-7 10976 144212834 A 2-Heptanol CC(O)CCCCC Tox21_302517 -NCGC00257057-01 196718111 tox21-ror-cho-viability-p1 set2 4 6.1130564862 4.2134737919 -0.2134737919 4 4.9549173134 0.3662618302 0.3252199501 -0.22047487 1.26250064 0.00691857 2.5780419 -4.76122816 -0.00124264 -0.67695794 -0.65333472 1.64804393 0.91907794 -4.28640492 5.68830552 2.17849433 3.73663038 1.58022774 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-77-0 7954 144213603 F 2,4,6-Trichloro-s-triazine Clc1nc(Cl)nc(Cl)n1 Tox21_303286 -NCGC00256929-01 196718515 tox21-ror-cho-viability-p1 set2 4 0.78335361 2.34704475 0.26818713 6.95906533 -0.72744338 6.65857003 5.13047803 7.86889447 7.28471849 5.5651363 14.39275602 -4.90444617 3.06375524 -0.69316303 0.14836881 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-42-9 8050 144213377 A Fc Methyl decanoate O=C(CCCCCCCCC)OC Tox21_303060 -NCGC00178703-05 196713558 tox21-ror-cho-viability-p1 set2 4 1.68582338 3.76059083 1.01386038 -7.75841071 0.69903342 1.63461036 2.64239726 -5.06184174 3.74001545 -3.33813273 2.45426403 -3.81808556 -5.22508333 -5.4590005 -2.8151088 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 546-48-5 60196260 170465036 A Pempidine d-tartaric acid CC1(C)CCCC(C)(C)N1C.O=C(O)[C@@H](O)[C@H](O)C(=O)O Tox21_110313_1 -NCGC00159421-03 196713550 tox21-ror-cho-viability-p1 set2 4 0.42658975 -0.30717807 -0.08215726 0.02530762 -3.32624809 1.07863112 -4.0879695 -0.51593712 -0.74352783 0.65026012 -3.13029778 2.57925425 0.23527942 4.29779178 -0.00835494 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 484-23-1 10230 170466387 Z Dihydralazine NNc2nnc(NN)c1ccccc12 Tox21_111653_1 -NCGC00182059-03 196713553 tox21-ror-cho-viability-p1 set2 4 -3.79900989 1.30552059 -0.35461037 -3.22336058 1.92789946 -4.31666963 2.10712531 1.94715155 -0.10059068 -1.766652 -2.18312281 -3.34349777 1.85388012 0.07244086 4.14709826 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 144060-53-7 134018 170465220 A Febuxostat CC(C)COc1ccc(cc1C#N)c2nc(C)c(s2)C(=O)O Tox21_113004_1 -NCGC00182986-01 196713556 tox21-ror-cho-viability-p1 set2 4 0.0473079441 4.780508436 -4.780508436 0 3.9294729863 0.4704983524 0.2080157138 -5.93660567 -2.39714248 -2.5556062 -5.3713598 -4.25466224 -7.73375703 3.38594729 1.25070964 -0.69890958 1.11013226 1.20410763 -4.2789969 -1.14094566 -2.05853427 0.16910242 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13402-08-9 1999 144206817 A A Acetylpheneturide CCC(C(=O)NC(=O)NC(C)=O)c1ccccc1 Tox21_113266 -NCGC00015834-19 196713564 tox21-ror-cho-viability-p1 set2 4 -2.90855496 -2.21945174 -2.47579777 -3.23104025 -4.07675384 -3.896198 -1.49284705 -1.38194304 -3.05088247 1.47570307 1.67863517 -1.17881594 0.13434175 -1.0279427 1.20512743 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 125-33-7 4909 170464846 A Primidone CCC1(C(=O)NCNC1=O)c2ccccc2 Tox21_110238_1 -NCGC00016013-06 196713568 tox21-ror-cho-viability-p1 set2 4 2.49271128 0.52384089 1.25063781 3.1539421 0.5131886 -1.86968913 -1.19469726 1.15505925 3.45812371 2.39920693 3.40533659 -1.31920621 3.45712141 1.82984447 -0.19161038 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 521-78-8 5282318 170465260 A Trimipramine maleate O=C(O)/C=C\C(=O)O.CN(C)CC(C)CN2c3ccccc3CCc1ccccc12 Tox21_110449_1 -NCGC00254005-01 196713965 tox21-ror-cho-viability-p1 set2 4 0.3063785869 -6.9264162399 -2.674560824 -9.6009770639 0.8999999999 0.3843950677 0.3047033054 -3.10344659 -0.62641101 -4.09608187 -7.95370815 -3.03898642 -0.56213402 -3.82509893 -7.04003188 -4.11710256 -15.50081422 -8.93374952 -12.20993241 -4.40169594 -7.48247911 2.1690459 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 576-26-1 11335 144210477 A A 2,6-Dimethylphenol Cc1cccc(C)c1O Tox21_300157 -NCGC00260386-01 196724411 tox21-ror-cho-viability-p1 set3 4 0.0309184864 7.70271788 -5.20271788 2.5 3.6772481694 0.463610914 0.2290623041 -3.11097642 -2.63617617 -9.7522649 -5.76297733 -0.7170269 0.29140957 1.20155671 11.06585112 -6.04181676 2.4828232 5.60150899 4.53730785 0.90818926 3.03660085 -5.0205276 1.189E-9 2.658E-9 5.9439999999E-9 1.3289999999E-8 2.9719999999E-8 6.646E-8 1.486E-7 3.323E-7 7.4299999999E-7 0.0000016609999999 0.0000037149999999 0.000008307 0.000018579999999 0.00004154 0.000092879999999 51934-41-9 142891 144210038 A A Benzoicacid,4-iodo-,ethylester Ic1ccc(cc1)C(=O)OCC Tox21_202840 -NCGC00260588-01 196724417 tox21-ror-cho-viability-p1 set3 4 0.0014960085 17.11757222 -14.11757222 3 0.5 0.6751724498 0.0505219701 -10.09797685 -4.13411005 -3.37050079 -3.58565333 -1.19926881 2.535622 0.22701419 0.96797323 -1.30412963 -0.39406221 8.34956249 4.25678104 0.68467331 0.53417929 5.17735576 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49484 144210241 M M NTP Mix37 CT1 2-EQP Tox21_203043 -NCGC00357033-01 196724431 tox21-ror-cho-viability-p1 set3 4 48.5577336745 8.60174516 -5.10174516 3.5 4.0949729863 0.4715613505 0.2068505878 -7.95782981 -5.09953609 -4.03543423 -7.90673167 -3.1236155 -3.76100143 -7.34040031 -5.29799082 -0.56844837 -8.0014543 -7.59563133 -1.54719487 -3.95186427 -2.38245733 3.14621782 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-34-2 8108 251919853 Fns Butyl vinyl ether C=COCCCC Tox21_303721 -NCGC00255057-01 196699517 tox21-ror-cho-viability-p1 set1 4 54.4272718766 13.7251751999 -2.7251751999 11 2.3531167061 0.4215528227 0.2522583477 -1.3664047 -1.58565786 -0.04943539 -3.99381787 -13.937646 -1.92969478 -1.25413255 1.15703369 -4.81699551 -2.16326988 -1.96964981 -2.5311721 0.66754714 1.11089005 8.1885235 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 107-43-7 247 144211476 A Betaine C[N+](C)(C)CC([O-])=O Tox21_301159 -NCGC00090987-03 196701163 tox21-ror-cho-viability-p1 set1 -2.4 13.6854287769 -24.1571653279 -3.5 -27.6571653279 0.6 0.7752038571 0.0128635696 -9.49959665 -1.68439825 -0.42868943 -5.20509397 0.59466886 -8.77449653 -1.30534209 -4.85856364 -9.86121109 -9.3662979 -13.54191693 -9.09056396 -16.02795567 -23.46430444 -20.32624827 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00258594-01 196701581 tox21-ror-cho-viability-p1 set1 4 0.0075552242 5.9514261399 -2.4514261399 3.5 4.9549173134 0.5163525634 0.1663169046 -2.87618845 -1.63582351 -2.04223283 4.34195186 4.05927651 7.96365617 4.33899134 6.64599918 1.47657266 -0.7754992 2.99008237 2.40160215 0.28404669 2.79261483 3.97530082 1.162E-9 2.599E-9 5.812E-9 1.2999999999E-8 2.9059999999E-8 6.4979999999E-8 1.453E-7 3.249E-7 7.265E-7 0.000001625 0.0000036329999999 0.0000081229999999 0.00001816 0.00004061 0.000090819999999 63213-29-6 113124 144208239 A A 2,4,5-Triethoxyacetophenone CCOc1cc(OCC)c(cc1OCC)C(C)=O Tox21_201041 -NCGC00253956-01 196699933 tox21-ror-cho-viability-p1 set1 4 1.05868531 2.55450471 3.10333969 4.22763127 -1.88523628 2.86914306 3.55462861 2.75230055 -0.20517152 1.2696205 -2.10506498 2.95681429 0.53633827 -2.22157872 2.00478441 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-80-4 7579 144210453 A A 4,4'-Oxydianiline Nc1ccc(cc1)Oc2ccc(N)cc2 Tox21_300133 -NCGC00254504-01 196699521 tox21-ror-cho-viability-p1 set1 4 -1.3428346 0.12722258 -0.301431 -3.70856627 -1.02844476 0.53585511 -0.09237459 -0.79875012 1.59648156 0.03996224 -0.06114474 0.19216065 1.72367338 0.85309159 -1.39445721 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-62-1 8892 144210724 A A Hexanoic acid CCCCCC(=O)O Tox21_300406 -NCGC00253976-01 196699525 tox21-ror-cho-viability-p1 set1 4 -0.58767915 5.70584888 0.72210005 -0.36069773 -1.49518508 -1.07692352 -0.07818447 1.78137515 0.81757578 0.18593283 1.16754744 1.64576483 -14.25857425 2.3061047 1.88085976 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-61-1 7567 144210450 A A 4,4'-Methylenebis(N,N-dimethylaniline) CN(C)c2ccc(Cc1ccc(cc1)N(C)C)cc2 Tox21_300130 -NCGC00091261-03 196700348 tox21-ror-cho-viability-p1 set1 4 1.13419001 -1.00622018 -0.51884823 0.79621097 3.59739247 3.1392276 -0.55601882 0.73755644 -0.67333527 -0.3752468 -0.63954755 -0.37196713 0.37348579 1.2217917 -1.75629493 1.1699999999E-9 2.6159999999E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.539E-8 1.462E-7 3.269E-7 7.311E-7 0.000001635 0.0000036549999999 0.000008173 0.00001828 0.000040869999999 0.00009138 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00256157-01 196700353 tox21-ror-cho-viability-p1 set1 4 2.58743985 -0.4184724 -0.15976808 0.83679085 0.25778961 0.81285803 0.23715302 1.20029308 0.94610343 3.04327821 2.73511475 -0.21040024 0.15964301 6.75238927 4.93324903 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52126-51-9 23695324 144211804 A Fc Sodium 5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate [Na+].O=S(=O)(O)c1ccc(cc1)N2N=C(CC2=O)C([O-])=O Tox21_301487 -NCGC00255127-01 196700756 tox21-ror-cho-viability-p1 set1 4 6.8589621897 7.798531272 -3.798531272 4 1.2221 0.6369118698 0.0730002512 -5.63031654 -3.78486231 -6.20384929 0.28636652 -0.78851499 -4.87181934 -5.94031926 -2.65959193 -6.49877606 -2.87296913 1.45777782 -0.31379638 0.6262159 5.14907965 3.00418387 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69-53-4 6249 144211733 D Ampicillin OC(=O)[C@@H]2N3C(=O)[C@@H](NC(=O)[C@H](N)c1ccccc1)[C@H]3SC2(C)C Tox21_301416 -NCGC00255281-01 196700762 tox21-ror-cho-viability-p1 set1 4 0.07389116 1.31975575 1.04168881 0.57381368 1.73043725 1.28428416 -1.0163768 0.84896272 0.14002605 1.88173366 0.93006541 0.40598131 -2.46362963 -0.16802678 -0.33813505 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 132-66-1 8594 144212596 A D Naptalam O=C(O)c1ccccc1C(=O)Nc3cccc2ccccc23 Tox21_302279 -NCGC00164077-02 196700765 tox21-ror-cho-viability-p1 set1 4 0.81070217 0.47706187 2.93687273 1.63491983 2.28179336 1.18284351 0.14828456 1.13669306 1.0332062 0.71171906 -3.43007755 -3.20907422 2.0756126 0.50502367 -5.9702311 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00091499-05 196701166 tox21-ror-cho-viability-p1 set1 4 0.11464819 -3.83501486 -3.49931343 -2.54245607 -3.32052083 0.69093038 1.08515628 -3.202587 -1.82162997 -1.69292796 -2.66771679 -0.21122825 -2.49498667 -1.02524361 -0.5125079 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00260322-01 196723841 tox21-ror-cho-viability-p1 set3 4 2.8214010823 14.1345142399 -2.1345142399 12 1.78848746 0.3826276058 0.2891687837 -6.8327367 2.10546729 -5.89528442 -0.60785524 5.67927632 -3.22937878 1.5921611 -5.75385398 -4.82851044 -8.8620952 -2.81834392 3.61284489 -1.09210646 2.70078177 9.46486043 6.819E-11 1.525E-10 3.409E-10 7.624E-10 1.7049999999E-9 3.812E-9 8.524E-9 1.906E-8 4.2619999999E-8 9.5299999999E-8 2.131E-7 4.7649999999E-7 0.000001065 0.000002382 0.000005327 590-29-4 2735122 144209973 Formic acid, potassium salt [K+].[O-]C=O Tox21_202775 -NCGC00254799-01 196698914 tox21-ror-cho-viability-p1 set1 4 54.4826732819 10.410299952 -1.410299952 9 1.98874246 0.6364614464 0.0741944989 -0.45189654 -0.79277353 -0.18839914 0.17066543 -2.04248279 0.68579928 -0.66857054 -6.17524996 -2.46310064 -0.45042173 -3.14656494 -0.72552954 0.09644362 2.29339236 6.61845252 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1777-82-8 15684 144211212 A A 2,4-Dichlorobenzyl alcohol OCc1ccc(Cl)cc1Cl Tox21_300895 -NCGC00253995-01 196698919 tox21-ror-cho-viability-p1 set1 4 -0.35638467 5.21096476 -1.18274605 -1.11049189 -2.61277016 -0.27526597 -3.8264051 -21.65804325 -12.12636821 -0.2275707 0.58171744 -1.85943423 -5.08329539 -8.90532877 0.46794603 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-00-5 7474 144210353 A Ac 1-Chloro-4-nitrobenzene O=[N+]([O-])c1ccc(Cl)cc1 Tox21_300033 -NCGC00357112-01 196723850 tox21-ror-cho-viability-p1 set3 4 0.0086349218 8.957438556 -9.457438556 -0.5 4.9549173134 0.6596782832 0.0589687822 -8.68042599 -9.96453213 -8.3319667 -1.18714544 1.42232627 -4.06308729 -1.70305244 -3.97875593 -1.89616272 -3.2422905 2.0991494 4.04184982 -0.5080043 -0.22800017 4.44025135 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5655-61-8 93009 251919910 Ac (-)Bronyl acetate CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C Tox21_303841 -NCGC00357111-01 196723844 tox21-ror-cho-viability-p1 set3 4 0.019331182 9.5974254639 -9.5974254639 0 4.9549173134 0.7764457801 0.0170106679 -10.91452122 -10.70694492 -5.61319676 -9.93102953 0.10173999 0.18514081 -1.77000868 -0.45647816 -3.05518855 1.02240098 -0.60913985 5.95369255 -0.34246655 0.43408589 -5.60491143 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6174-86-3 5355079 251919981 A 3-chloro-7-hydroxy-4-methyl-2-benzopyrone Oc1ccc2c(c1)OC(=O)C(Cl)=C2C Tox21_303840 -NCGC00356968-01 196723848 tox21-ror-cho-viability-p1 set3 4 -3.72739922 2.36613988 -11.14225863 -11.65518224 -1.11133407 -9.41046532 -6.88350756 -5.53202202 0.96885779 1.91267164 2.02851192 -10.84410628 -8.25909202 1.54172071 4.64880731 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3648-21-3 19284 251919698 A Diheptyl phthalate O=C(OCCCCCCC)c1ccccc1C(=O)OCCCCCCC Tox21_303892 -NCGC00015759-05 196697690 tox21-ror-cho-viability-p1 set1 -2.4 26.6032120037 -33.076757016 0.5 -32.576757016 1.8079476909 0.8872390149 0.0005857103 8.0700918 -1.92331168 -0.34486151 0.26049896 -0.57043435 -0.93193042 0.32770455 0.12135965 1.00549312 -0.82047047 -0.09876629 -3.53687252 -2.27498639 -11.93036844 -23.81396418 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4789-68-8 11957654 170466251 A Octoclothepine maleate O=C(O)/C=C\C(=O)O.CN1CCN(CC1)C2Cc4ccccc4Sc3ccc(Cl)cc23 Tox21_111259_1 -NCGC00167547-02 196697697 tox21-ror-cho-viability-p1 set1 4 -1.33945675 -2.7513384 -1.69305213 -5.73036469 -4.55874856 0.98326595 -1.55132888 -4.8461749 -4.66534226 -3.04141201 -3.45395699 -1.12098377 1.66696845 -0.03766897 -6.56398628 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 666-99-9 12629 170465652 F Agaric acid O=C(O)C(CCCCCCCCCCCCCCCC)C(O)(CC(=O)O)C(=O)O Tox21_112543_1 -NCGC00253607-01 196697703 tox21-ror-cho-viability-p1 set1 4 1.49247703 -2.33757452 1.12002849 -0.1308405 0.60259364 0.98876246 0.00485368 1.94107051 -1.0706925 -1.11059999 -0.33190133 2.40294496 1.81047796 0.50815142 1.95376618 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 116308-55-5 122073 170465844 A A Watanidipine [O-][N+](=O)c1cccc(c1)C2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OCCc3ccc(cc3)N4CCN(CC4)C(c5ccccc5)c6ccccc6 Tox21_113741 -NCGC00179496-04 196698113 tox21-ror-cho-viability-p1 set1 4 -0.03606612 -1.67960482 0.22454165 0.22333619 0.39978143 0.40261922 2.73045302 1.7517353 2.21921665 0.43817188 3.75587622 0.09323718 1.24298477 -1.34561052 -6.16830848 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 965-52-6 13764 170466382 A Nifuroxazide O=[N+]([O-])c2ccc(\C=N/NC(=O)c1ccc(O)cc1)o2 Tox21_110491_1 -NCGC00016636-05 196698118 tox21-ror-cho-viability-p1 set1 4 26.6032120037 8.5362287439 -1.5362287439 7 4.5044702849 0.7431177459 0.0225589615 -1.46913072 -0.36690725 -3.78019062 -2.77980505 -0.17322499 -0.37302309 -2.22071939 0.25200467 -3.16014121 -1.49767451 -2.13768636 -0.00039559 -0.72276614 0.47185759 6.44864745 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3717-88-2 441345 170466285 A Flavoxate hydrochloride Cl.O=C(OCCN1CCCCC1)c4cccc2c4OC(=C(C)C2=O)c3ccccc3 Tox21_110537_1 -NCGC00164561-02 196698121 tox21-ror-cho-viability-p1 set1 4 6.6824247267 11.7823434 -4.7823434 7 0.4 0.4870359788 0.1915379895 -3.24122014 -2.24463298 -9.8186195 -0.68571744 -6.04417678 -5.77523567 -2.12810623 -0.33388762 0.12155783 -0.13176572 -3.94736425 2.64978595 -2.67119006 3.37356257 5.34724662 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 139110-80-8 60855 170464662 Z Zanamivir O[C@@H]([C@@H]1OC(=C[C@H](NC(=N)N)[C@H]1NC(C)=O)C(=O)O)[C@H](O)CO Tox21_112190_1 -NCGC00319019-01 196698123 tox21-ror-cho-viability-p1 set1 -1.1 0.1333319023 -82.4587138391 -0.568839715 -83.0275535541 2.4063783767 0.9969122537 0 -2.74121005 -0.83840571 -2.95664929 0.26910337 -2.4891612 -1.45634075 -12.35732653 -54.80663382 -75.96127282 -79.94475245 -80.89133148 -85.33555046 -84.62088585 -85.41929378 -81.06797903 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 108852-90-0 11969781 170465590 B F Nemorubicin COC1CN(CCO1)C6CC(OC5C[C@@](O)(Cc4c5c(O)c3C(=O)c2c(OC)cccc2C(=O)c3c4O)C(=O)CO)OC(C)C6O Tox21_113985 -NCGC00182550-02 196725662 tox21-ror-cho-viability-p1 set3 1.2 10.5909294584 48.293833452 2.1484463555 50.4422798075 3.5117481694 0.9549736412 0.0000047257 4.91368181 -1.44917672 4.52538455 -0.57146773 -0.54997464 -0.15358733 5.79997654 -2.70780102 7.57686034 8.41310649 0.48017517 4.11187186 17.54500724 49.33604739 48.54972798 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 616202-92-7 11658860 170466882 A Lorcaserin Clc2cc1c(CCNC[C@@H]1C)cc2 Tox21_113018_1 -NCGC00164449-04 196725667 tox21-ror-cho-viability-p1 set3 4 -14.34412383 0 3.48967084 2.47855504 -6.20750607 -11.64765418 -11.47736088 -12.80523972 -13.52834711 -13.2862358 -10.87873125 -7.6525622 2.54976156 -0.88797266 1.05708064 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00016809-07 196725251 tox21-ror-cho-viability-p1 set3 4 0.0007497804 16.868704568 -16.368704568 0.5 4.9549173134 0.5713038983 0.119225059 -12.39058714 0 2.20582571 3.89676302 -5.80142187 2.3046863 1.46493596 2.46916745 -3.47994117 0.86006037 2.85535711 2.59024122 -2.35888773 0.10527284 -3.44033857 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 29560-58-5 34632 170465141 A Moricizine hydrochloride Cl.O=C(OCC)Nc1cc2N(c3ccccc3Sc2cc1)C(=O)CCN4CCOCC4 Tox21_110622_1 -NCGC00015882-15 196725263 tox21-ror-cho-viability-p1 set3 -2.4 18.8336317891 -32.1297387759 4 -28.1297387759 2.3331733767 0.864852911 0.0013910007 0.28027814 3.98703781 0.37531426 -0.6975225 5.27572731 4.46817465 10.55726813 3.92024334 2.65801359 7.6699805 4.91979744 -0.27814575 3.26233307 -16.90337149 -23.44144898 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1744-22-5 5070 170464928 A Riluzole FC(F)(F)Oc1ccc2nc(N)sc2c1 Tox21_110252_1 -NCGC00159343-05 196725669 tox21-ror-cho-viability-p1 set3 4 -3.56308728 3.39855523 -0.12131316 -4.51042638 -5.19915399 -3.570849 -5.46232915 -3.20749805 -0.05539871 -11.71467253 -3.00808936 -3.94920055 -4.15505255 -0.44965365 -0.17748512 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 36282-47-0 33741 170464654 A Tramadol hydrochloride O[C@@]1(CCCC[C@@H]1CN(C)C)c2cc(OC)ccc2 Tox21_111588_1 -NCGC00015570-07 196726073 tox21-ror-cho-viability-p1 set3 2.2 14.9600854925 53.2078059831 1.963074882 55.1708808651 0.5 0.8881768697 0.0005597743 0.48142235 2.36688172 7.60055699 -1.81110473 9.01355386 3.01723333 0.84062585 10.69320733 13.88665919 8.7121341 13.48997572 19.98119235 27.40543324 25.09092678 41.82488969 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 81167-16-0 133621 170466588 A Imiloxan CCn3ccnc3CC1COc2ccccc2O1 Tox21_110175_1 -NCGC00090686-11 196726084 tox21-ror-cho-viability-p1 set3 4 -0.12892401 3.507136 -0.75767213 1.29607468 6.01166977 0.69728691 10.25286182 -0.69674671 4.61649842 9.16686906 5.8324966 -1.01082537 2.40037036 2.12199037 1.66520123 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-87-0 5447130 170464946 A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_110997_1 -NCGC00162149-07 196726085 tox21-ror-cho-viability-p1 set3 4 0.003349146 17.51846116 -9.51846116 8 0.5 0.6567019549 0.071823277 -6.2653843 -2.08287161 -1.42398576 5.81821202 -2.66169285 6.71725158 5.0827027 3.45438285 7.60577355 2.38954196 5.46824779 8.25270001 12.19378105 7.02121325 0.64686739 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64-73-3 54686764 170465205 I Demeclocycline hydrochloride Cl.NC(=O)C=2C(=O)[C@@]3(O)C(O)=C4C(=O)c1c(c(Cl)ccc1O)[C@@H](O)[C@H]4C[C@H]3[C@@H](C=2O)N(C)C Tox21_110354_1 -NCGC00016542-06 196726086 tox21-ror-cho-viability-p1 set3 4 0.96535646 0.58871397 0.46512106 11.96534094 11.20638717 -5.75206387 1.85398587 5.10478076 -5.26509418 -7.81539676 0.42895097 11.28475003 8.28888526 14.13171091 5.32448489 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 829-74-3 164739 170464794 Z Levonordefrin Oc1ccc(cc1O)[C@@H](O)[C@H](C)N Tox21_112051_1 -NCGC00181915-01 196726097 tox21-ror-cho-viability-p1 set3 4 0.0011883218 -12.962510036 11 -1.962510036 0.6 0.545327998 0.1409594896 7.88764462 -0.5049717 6.92457166 0.83449033 -0.98599691 -0.21364805 -2.45643503 -0.61179749 -0.66350223 -1.353695 0.67302671 -0.70075783 -0.55183967 -5.38542503 -4.5249563 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118635-52-2 164072 144206887 B C Mepranoprofen arbamel CN(C)C(=O)COC(=O)C(C)c1cc2Cc3ccc(C)nc3Oc2cc1 Tox21_113336 -NCGC00257175-01 196726488 tox21-ror-cho-viability-p1 set3 4 -2.7095574 -5.30763725 -2.20955277 0.68943222 -1.77013935 -2.79690062 -2.2552012 0.43824738 -1.45174427 -3.67221983 -1.65010644 -5.03263974 -3.88334597 -2.8018396 -0.1795775 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 629-50-5 12388 144213360 F Fns Tridecane CCCCCCCCCCCCC Tox21_303043 -NCGC00166072-02 196713569 tox21-ror-cho-viability-p1 set2 4 0.21835484 1.38811728 1.89457528 0.90560305 -1.19924241 -0.48239982 0.34871604 -0.67456342 -6.94709008 -4.66513958 0.51356374 -2.92386262 -3.05423961 -5.0262015 1.83552874 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 608-66-2 11850 170465564 Z D-Galactitol O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)CO Tox21_111643_1 -NCGC00015255-08 196713164 tox21-ror-cho-viability-p1 set2 4 -1.64809859 -0.11568932 -6.70717322 -1.12253556 1.32223212 -1.06838644 -1.08081376 2.30222695 0.02191242 1.51966706 -0.59055856 3.05438387 2.90164165 2.09874621 2.14056094 5.899E-12 1.319E-11 2.949E-11 6.595E-11 1.475E-10 3.2969999999E-10 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 7424-00-2 4652 170466310 A Fenclonine Clc1ccc(CC(N)C(=O)O)cc1 Tox21_110114_1 -NCGC00016344-07 196713167 tox21-ror-cho-viability-p1 set2 4 -1.4964816 -1.10902455 -6.3849223 -0.73593876 2.11360447 1.06017402 0.3431003 0.01409986 1.16005963 0.50502551 -0.36437387 0.86887896 0.50109599 0.22522321 0.32233191 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 89-57-6 4075 170464840 I 5-Aminosalicylic acid OC(=O)c1cc(N)ccc1O Tox21_110384_1 -NCGC00249924-01 196713171 tox21-ror-cho-viability-p1 set2 4 -0.79623969 -2.5682146 -2.63149914 0.04481477 -5.42617753 -1.27604471 -0.0502257 -1.24182348 -1.63484018 -0.04173795 -0.04037153 -0.02461621 -0.44543797 1.30216618 1.3691761 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64622-45-3 3673 170465895 A A Ibuprofen piconol CC(C)Cc1ccc(cc1)C(C)C(=O)OCc2ccccn2 Tox21_113700 -NCGC00091205-03 196713580 tox21-ror-cho-viability-p1 set2 4 -1.12314957 -1.80608914 -0.22810181 -3.29280113 -1.12698697 -3.06732917 -0.14810743 -1.04338304 1.24934489 -1.51808009 0.3124281 0.27573881 0.07389926 -1.17674584 -0.00596734 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00263460-01 196713582 tox21-ror-cho-viability-p1 set2 4 0.99956056 -0.10879992 -1.29563731 -2.81040594 0.18624229 0.72862723 -1.42241215 -1.4070563 -0.53840922 1.32266665 -0.48476736 -0.78585106 0.32880672 1.29523678 1.15623816 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 137-88-2 8732 170465675 Z Amprolium hydrochloride [Cl-].Cl.CCCc1nc(N)c(cn1)C[n+]2ccccc2C Tox21_110740_1 -NCGC00160537-04 196713583 tox21-ror-cho-viability-p1 set2 4 1.2197151236 -4.3197881359 -0.5 -4.8197881359 2.7202212143 0.4081714482 0.2666711735 0.7402179 4.05216062 -2.65861481 -2.30915299 -1.41526691 -3.40165065 1.07878847 0.86383139 -0.95786334 -3.8927063 -3.55780903 -8.18315678 0.26735684 -8.18049254 -4.35383182 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00091125-07 196713587 tox21-ror-cho-viability-p1 set2 4 -6.7197633 -6.02786352 -0.87592707 1.15453343 -5.58631094 -6.95198203 -0.87591942 -7.18729133 -4.35984605 -0.93826446 0.14054436 -0.61750358 0.41545297 -0.79889293 -1.09219642 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 149-91-7 370 170465633 Ac Gallic acid Oc1cc(cc(O)c1O)C(=O)O Tox21_111089_1 -NCGC00254294-01 196713986 tox21-ror-cho-viability-p1 set2 4 -6.60246441 -3.20738415 0.55984222 0.64528748 -5.78670867 -7.13729305 -6.77439797 -5.68133294 -3.64088732 1.93169578 -4.13471993 -2.99733553 1.18340387 1.18861903 -5.50170146 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-26-8 7184 144210650 A A Butylparaben Oc1ccc(cc1)C(=O)OCCCC Tox21_300332 -NCGC00254781-01 196713991 tox21-ror-cho-viability-p1 set2 4 0.0013685429 10.642544576 -7.642544576 3 0.4 0.6856526627 0.0469872003 -4.70212048 0.56537457 -0.25509984 0.68414233 0.12002623 0.94064293 0.56719542 1.23466587 1.28120686 2.31749998 2.479542 5.38084018 2.54593213 2.19341153 3.06476852 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1823-59-2 74574 144211194 A A 5,5'-Oxybis(2-benzofuran-1,3-dione) O=C1OC(=O)c2ccc(cc12)Oc3ccc4C(=O)OC(=O)c4c3 Tox21_300877 -NCGC00257681-01 196702387 tox21-ror-cho-viability-p1 set1 4 4.11599594 -1.32558363 1.94413373 4.99761011 5.12454104 -1.92427421 3.88672202 3.21104027 -5.16627759 8.40660926 -4.5485824 -4.48536137 0.63801848 2.07151398 0.52606967 1.19E-9 2.661E-9 5.95E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003719 0.000008315 0.00001859 0.00004157 0.000092959999999 959-24-0 66245 144207325 A A Sotalol hydrochloride Cl.O=S(C)(=O)Nc1ccc(cc1)C(O)CNC(C)C Tox21_200127 -NCGC00258112-01 196702369 tox21-ror-cho-viability-p1 set1 4 0.4318911934 -4.7779835401 5 0.2220164599 2.3331733767 0.4516478804 0.225002167 8.60746437 0.99660474 1.5585159 4.18169074 2.16488217 8.33078624 8.74392592 2.59567753 -0.18463541 2.99682441 -0.00064339 -1.48165295 0.94341958 -1.17677441 0 1.1779999999E-9 2.633E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.00000368 0.00000823 0.000018399999999 0.00004115 0.00009201 14868-03-2 84677 144207756 A A Bis(4-hydroxyphenyl)-2,2-dichloroethylene Oc1ccc(cc1)\C(=C(/Cl)Cl)c2ccc(O)cc2 Tox21_200558 -NCGC00258370-01 196702372 tox21-ror-cho-viability-p1 set1 4 6.59901172 5.02176285 -1.40892359 5.04012332 -0.00031882 8.73529041 -4.05389983 3.19128302 8.38571417 0.58728434 0.93901324 0.0203411 3.92085611 6.98127919 4.71990278 1.193E-9 2.667E-9 5.964E-9 1.3339999999E-8 2.982E-8 6.668E-8 1.491E-7 3.3339999999E-7 7.455E-7 0.0000016669999999 0.000003728 0.000008335 0.00001864 0.00004168 0.00009319 15318-45-3 27200 144208014 A A Thiamphenicol O=S(C)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_200816 -NCGC00258408-01 196703445 tox21-ror-cho-viability-p1 set1 4 -4.54171626 -0.32581615 -5.78542137 6.83987672 -14.43883223 -14.72446338 -11.34341044 -1.19114535 -6.50654463 -13.46299655 -7.87601018 0.36028184 -9.3659813 -6.61150523 -4.12937707 1.1859999999E-9 2.6519999999E-9 5.929E-9 1.326E-8 2.964E-8 6.629E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.0000037059999999 0.000008286 0.00001853 0.000041429999999 0.00009264 76-43-7 6446 144208052 A A Fluoxymestrone C[C@]4(O)CC[C@@H]2[C@]4(C)C[C@H](O)[C@]1(F)[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_200854 -NCGC00357130-01 196703446 tox21-ror-cho-viability-p1 set1 4 0.91474554 5.04910235 -1.45702304 0.17635975 2.44223058 2.10655112 6.45219558 -1.22086792 3.36155064 2.15355136 2.32860908 -0.98555374 8.08884558 6.19646621 1.96781667 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-72-3 7716 251919841 A Decylbenzene CCCCCCCCCCc1ccccc1 Tox21_303866 -NCGC00357121-01 196703447 tox21-ror-cho-viability-p1 set1 4 0.3235208 -0.26446277 -0.71716876 -2.12329796 0.07709198 2.47422365 8.24239488 -0.18040103 6.70041505 1.18228354 0.94412421 -5.64562116 0.06100898 0.38702504 -6.28653376 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 767-00-0 13019 251919943 A 4-Hydroxybenzonitrile N#Cc1ccc(O)cc1 Tox21_303855 -NCGC00260537-01 196703851 tox21-ror-cho-viability-p1 set1 4 -3.75013525 -1.20261391 0.20967478 1.37949562 1.60399924 -1.51552405 -2.39868066 -4.4215728 -4.44685022 -3.11372326 -1.48138196 -8.74585245 0.1175182 -0.38108652 -3.34114335 1.1689999999E-9 2.6129999999E-9 5.843E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.461E-7 3.2659999999E-7 7.3029999999E-7 0.0000016329999999 0.000003652 0.0000081649999999 0.00001826 0.000040829999999 0.00009129 80-05-7 6623 144210190 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_202992 -NCGC00260672-01 196703856 tox21-ror-cho-viability-p1 set1 4 30.5755549657 -12.334425772 0.5 -11.834425772 4.9549173134 0.6978020466 0.0485530209 -0.56340719 0.61105563 -0.27963957 -0.9461372 -1.32357906 0.21302151 4.3977607 -0.89066645 -0.4921617 -1.21128037 -0.26209533 0.10502221 4.22163956 -13.19535481 -5.84006711 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.3169999999E-8 2.9459999999E-8 6.587E-8 1.4729999999E-7 3.294E-7 7.365E-7 0.0000016469999999 0.0000036819999999 0.000008234 0.000018409999999 0.00004117 0.00009206 1330-78-5 6529 144208744 A A Tricresyl phosphate Cc1ccc(cc1)OP(=O)(Oc2ccc(C)cc2)Oc3ccc(C)cc3 Tox21_201546 -NCGC00357084-01 196703857 tox21-ror-cho-viability-p1 set1 4 68.5896218971 13.2781987559 -3.2781987559 10 4.0949729863 0.3766601041 0.2955802124 -0.82540467 -5.87256685 -3.19864236 -9.81516563 -0.50878627 -2.04006232 -8.79401764 0.73522337 -0.10394402 -4.98976372 -6.89097998 1.10642585 -0.48680807 -2.09390799 7.0554668 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 693-54-9 12741 251919662 Ac 2-Decanone CC(=O)CCCCCCCC Tox21_303799 -NCGC00260295-01 196703866 tox21-ror-cho-viability-p1 set1 4 1.91772798 3.03676446 -1.18569648 3.27445479 1.03596817 -0.13917484 -0.51712007 0.61252257 -0.52277106 0.59232894 2.05469242 0.57871503 0.17723814 -1.19665798 0.72961345 5.905E-11 1.32E-10 2.952E-10 6.601E-10 1.476E-9 3.301E-9 7.381E-9 1.65E-8 3.69E-8 8.2519999999E-8 1.845E-7 4.126E-7 9.226E-7 0.000002063 0.000004613 582-25-2 23661960 144209945 Fns Potassium benzoate [K+].[O-]C(=O)c1ccccc1 Tox21_202747 -NCGC00263542-01 196704261 tox21-ror-cho-viability-p1 set1 -2.4 29.8492948118 -29.428116672 0.5 -28.928116672 4.0949729863 0.9136413381 0.0001541551 1.45038222 -4.2137022 -0.43883796 -2.82531247 0.00438901 1.89962011 0.73240764 4.55010758 0.97430287 0.55036769 0.73222694 1.83544109 0.24599258 -5.0097248 -24.52343056 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 120210-48-2 54704052 170466575 F Tenidap O=C(c1c(O)n(C(N)=O)c2ccc(Cl)cc12)c3cccs3 Tox21_111757_1 -NCGC00090760-08 196700971 tox21-ror-cho-viability-p1 set1 4 96.2945518454 -27.577696196 -3.5 -31.077696196 0.7999999999 0.5531125361 0.1331360703 0.89403925 -3.12342224 -7.64487926 -1.64448646 2.06946281 -6.42109061 -2.85911155 -8.41033812 -2.93842099 -9.4137505 -2.21483667 -7.70510839 -10.43858501 -5.67597783 -22.56474683 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00255437-01 196700546 tox21-ror-cho-viability-p1 set1 4 -3.88000517 -4.40641986 -5.0916096 -2.94110075 -0.23393803 -4.70046047 0.89248101 -5.69273604 -0.84120894 -2.96730214 -2.83499964 1.82927786 -4.35797819 0.40236753 1.20955426 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3613-30-7 19223 144212272 F F 7-Methoxy-3,7-dimethyloctanal COC(C)(C)CCCC(C)CC=O Tox21_301955 -NCGC00255400-01 196700555 tox21-ror-cho-viability-p1 set1 4 -0.13404374 -0.79259073 -7.56856988 -0.14151623 -3.35697038 0.05392698 1.65430731 -3.75725446 0.05213761 -0.15195231 -3.13566921 -3.8127256 1.10342371 1.12532135 3.00536688 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13893-53-3 94355 144212513 F 2-Amino-2,3-dimethylbutanenitrile CC(C)C(C)(N)C#N Tox21_302196 -NCGC00255419-01 196700559 tox21-ror-cho-viability-p1 set1 4 54.4826732819 11.4653019759 -2.9653019759 8.5 2.6384283767 0.6051020558 0.0948069458 -1.20260268 -3.8844803 -7.47108498 -1.19353827 -2.11479968 -0.44436758 -3.77877986 -5.17296625 -5.12551356 -3.62129275 0.3827215 -1.94725692 -1.47122269 0.42285915 6.44793964 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2156-56-1 517326 144211711 Ac Sodium dichloroacetate [Na+].ClC(Cl)C([O-])=O Tox21_301394 -NCGC00091278-03 196700976 tox21-ror-cho-viability-p1 set1 4 -0.586174 0.28514798 -2.57568078 2.12805008 1.85654039 0.65373578 -0.05250513 -1.03093238 0.78158963 1.56698403 -1.29946838 0.74862111 0.07784788 1.75983109 3.21594726 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00258811-01 196706339 tox21-ror-cho-viability-p1 set1 4 0.07633182 3.97813555 2.59274292 -3.45530193 4.15703595 0.08668539 -2.42318992 5.69874359 4.11135263 -1.63231943 -5.56438959 2.43684813 3.45497222 5.28311064 1.35907004 1.202E-9 2.687E-9 6.008E-9 1.3429999999E-8 3.0039999999E-8 6.7169999999E-8 1.5019999999E-7 3.359E-7 7.51E-7 0.000001679 0.0000037549999999 0.000008396 0.00001878 0.000041979999999 0.000093879999999 68-12-2 6228 144208457 A Fc N,N-Dimethylformamide CN(C)C=O Tox21_201259 -NCGC00259725-01 196706317 tox21-ror-cho-viability-p1 set1 4 12.2095561706 27.010606308 -17.010606308 10 0.4999999999 0.6312438658 0.0755705649 -10.37142852 -15.93366341 -25.00883859 -22.28584809 -11.02700612 -4.24028353 -20.11786414 -15.2345652 -14.77358446 -6.73850546 -7.02070128 -3.37825568 -1.58664926 -3.50924443 5.84649294 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004127 0.00009229 132-98-9 23676814 144209374 A B Penicillin VK [K+].O=C([O-])[C@@H]2N3C(=O)[C@@H](NC(=O)COc1ccccc1)[C@H]3SC2(C)C Tox21_202176 -NCGC00259293-01 196706322 tox21-ror-cho-viability-p1 set1 4 2.04301845 4.2982012 4.3910214 3.38990907 1.33504608 -0.94948554 3.81282166 1.19500127 0.14386875 6.35519412 -0.99494246 0.91758159 3.33773761 -0.13717283 -0.56543541 1.194E-9 2.67E-9 5.9699999999E-9 1.335E-8 2.985E-8 6.6739999999E-8 1.4919999999E-7 3.337E-7 7.4619999999E-7 0.000001669 0.0000037309999999 0.000008343 0.00001866 0.00004171 0.00009328 1646-87-3 9568700 144208942 A A Aldicarb sulfoxide CC(C)(\C=N\OC(=O)NC)S(C)=O Tox21_201744 -NCGC00258845-01 196706331 tox21-ror-cho-viability-p1 set1 4 -11.7439247 -9.07150345 -13.93433393 -11.58468576 -11.84717987 -4.97789832 -9.02995591 -14.54918141 -8.73137974 -12.17107515 -0.21274596 -4.23463593 -15.84520751 -18.84136713 -26.09650033 1.197E-9 2.677E-9 5.987E-9 1.339E-8 2.993E-8 6.693E-8 1.497E-7 3.347E-7 7.4829999999E-7 0.000001673 0.000003742 0.000008366 0.00001871 0.00004183 0.00009354 59-50-7 1732 144208491 A A 4-Chloro-3-methylphenol Oc1ccc(Cl)c(C)c1 Tox21_201293 -NCGC00259188-01 196706730 tox21-ror-cho-viability-p1 set1 4 -4.47404007 -2.79920783 -7.06222289 -20.82021274 -1.39859062 -9.34837956 -3.03072223 -4.75071441 -4.86409914 -1.35984341 1.89234683 3.59635325 -9.65506427 0.22901905 3.33028158 1.1469999999E-9 2.564E-9 5.733E-9 1.282E-8 2.866E-8 6.4089999999E-8 1.433E-7 3.205E-7 7.1659999999E-7 0.000001602 0.000003583 0.000008012 0.00001791 0.00004006 0.000089569999999 108-95-2 996 144208837 A A Phenol Oc1ccccc1 Tox21_201639 -NCGC00259558-01 196706732 tox21-ror-cho-viability-p1 set1 -1.1 13.6019669824 -118.7493129266 4.0949454252 -114.6543675014 0.8999999999 0.9733038965 2.496E-7 10.50314885 9.76401699 2.764427 5.19003539 1.33179267 0.2759517 -0.68338748 0.55338637 -16.64359648 -11.98859924 -16.12269823 -37.42498742 -63.90793264 -91.87048678 -91.1399525 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.00009175 81741-28-8 9889168 144209207 A A Tributyltetradecylphosphonium chloride [Cl-].CCCC[P+](CCCC)(CCCC)CCCCCCCCCCCCCC Tox21_202009 -NCGC00258882-01 196706734 tox21-ror-cho-viability-p1 set1 4 0.4771947508 6.781565828 -4.781565828 2 4.9549173134 0.4646414459 0.2113556362 0.53565165 -5.39945982 -10.23463819 -8.85754912 -0.72336548 -6.41484405 -1.05389722 -5.65432945 3.17922646 0 4.27708598 -4.0840649 4.95044226 0.03431283 4.14473436 1.163E-9 2.5999999999E-9 5.813E-9 1.2999999999E-8 2.9069999999E-8 6.5E-8 1.453E-7 3.25E-7 7.267E-7 0.000001625 0.0000036329999999 0.000008124 0.00001817 0.000040619999999 0.00009083 121-73-3 8489 144208528 BC 1-Chloro-3-nitrobenzene O=[N+]([O-])c1cc(Cl)ccc1 Tox21_201330 -NCGC00259978-01 196706735 tox21-ror-cho-viability-p1 set1 4 -1.03414719 -2.26383116 2.48442594 -1.03560457 0.98707371 2.57591319 -1.35748245 0.27252359 -0.98626994 8.82482292 0.34809917 -1.08847832 3.65248955 1.10094999 6.30925827 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.0000036889999999 0.000008248 0.00001844 0.00004124 0.00009222 84-69-5 6782 144209627 A A Diisobutyl phthalate CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C Tox21_202429 -NCGC00256947-01 196727519 tox21-ror-cho-viability-p1 set3 4 -0.77887852 -4.43829652 -4.65606908 -5.70665019 -3.73830037 -5.26278975 -0.95289224 0.54311522 -2.7717659 -5.81109316 2.79439121 2.94352097 -4.67990683 -1.93678212 -4.68578179 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 123-09-1 31243 144213628 A F 4-Chlorophenyl methyl sulfide CSc1ccc(Cl)cc1 Tox21_303311 -NCGC00256929-01 196727096 tox21-ror-cho-viability-p1 set3 4 0.0015355304 -12.496497368 13 0.503502632 4.9549173134 0.792849064 0.0095051041 10.55006543 0.9627553 0.07190562 1.45292414 1.38886322 -0.22839807 0.79425979 -1.24708114 3.77371697 2.65561062 -0.38083329 -0.78798907 0.05293499 0.73861838 -0.01544812 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-42-9 8050 144213377 A Fc Methyl decanoate O=C(CCCCCCCCC)OC Tox21_303060 -NCGC00257335-01 196727107 tox21-ror-cho-viability-p1 set3 4 8.97426797 2.25563483 -0.44879377 3.50650393 5.64040872 2.93680272 5.06239371 5.48552422 0.64128969 5.1298792 -4.10362471 3.71442445 0.25112841 0.2946696 3.21173708 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2467-03-0 75576 144213822 A A 2-(4-Hydroxybenzyl)phenol Oc2ccccc2Cc1ccc(O)cc1 Tox21_303514 -NCGC00256828-01 196727516 tox21-ror-cho-viability-p1 set3 4 1.34104114 -0.19641344 -4.60378226 0.21012194 0.01706894 -5.75698649 -5.27706529 -0.7879318 1.04943024 1.55239102 0.9995383 0.53306761 1.01528429 0.65589999 3.12171091 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135-79-5 67285 144213028 A Ac 6-(1-Methylethyl)quinoline CC(C)c1ccc2ncccc2c1 Tox21_302711 -NCGC00255593-01 196727947 tox21-ror-cho-viability-p1 set3 4 3.46072746 11.224187 -2.57353567 -2.57929746 -3.20647048 7.4613041 -2.13496259 -8.14880072 7.40325865 3.59680023 11.20860342 4.45792258 -4.18052993 0.20522639 -7.8620675 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6515-38-4 23017 144211873 A A 3,5,6-Trichloro-2-pyridinol Clc1cc(Cl)c(Cl)nc1O Tox21_301556 -NCGC00256436-01 196719341 tox21-ror-cho-viability-p1 set2 4 0.4112286 0.65602516 0.2902229 0 -8.62339498 -6.32414493 -0.47619464 0.52732408 -0.47474186 0.1149065 0 3.27573841 1.30065265 -0.49675048 0.4752203 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58-15-1 6009 144213147 A A 4-Dimethylaminoantipyrine CN(C)C=2C(=O)N(c1ccccc1)N(C)C=2C Tox21_302830 -NCGC00256430-01 196718086 tox21-ror-cho-viability-p1 set2 4 -1.92361969 -2.65401897 -1.36642727 -0.25940434 -0.82076987 -0.78797945 -1.85006941 -1.13287745 6.8459153 0.00274171 2.14456079 -2.7150947 -5.56233485 -0.06965301 -2.72932656 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 614-00-6 11957 144213064 A Fc Nitrosomethylaniline O=NN(C)c1ccccc1 Tox21_302747 -NCGC00256472-01 196718090 tox21-ror-cho-viability-p1 set2 4 0.27910086 0.70307272 3.56843257 0 3.87626945 2.58761155 2.92758397 3.95604794 6.18863811 3.17579572 -0.39738741 2.54793361 1.44961001 -0.19984556 -1.61281328 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 134-32-7 8640 144213122 A C 1-Naphthylamine Nc2cccc1ccccc12 Tox21_302805 -NCGC00256764-01 196718920 tox21-ror-cho-viability-p1 set2 4 -0.43924034 0.53899552 -1.97775097 0.72600341 -1.47239167 5.47522349 3.62763021 0.52985489 -0.6015292 -0.41536659 3.56263145 3.37136603 2.60549677 1.57148805 -1.06202412 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27593-23-3 33960 144212887 A A 6-Pentyl-2H-pyran-2-one O=C1C=CC=C(CCCCC)O1 Tox21_302570 -NCGC00257048-01 196719343 tox21-ror-cho-viability-p1 set2 -3 2.2785775169 -88.5036958984 -2.537326142 -91.0410220404 4.9549173134 0.964025688 0.0000910098 1.07601879 -0.92816045 -6.12791446 0.44051258 -7.38572998 -4.1531557 -4.19536205 0.80355611 -10.19612833 -5.50672378 -84.29724263 0.80065226 1.6996823 3.40029618 2.95463183 1.117E-9 2.498E-9 5.5859999999E-9 1.2489999999E-8 2.793E-8 6.246E-8 1.397E-7 3.123E-7 6.983E-7 0.000001561 0.000003491 0.000007807 0.00001746 0.00003904 0.00008729 124-68-5 11807 144213466 A A 2-Amino-2-methylpropan-1-ol CC(C)(N)CO Tox21_303149 -NCGC00256520-01 196719363 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -19.723399624 2 -17.723399624 4.9549173134 0.6094598463 0.0907984395 -0.4491926 -0.81567204 -1.31919997 0.68785633 1.10604136 1.96136348 -0.3128511 4.33491914 2.24913047 0.12809568 8.19265966 7.56654763 0.86330743 1.40213842 -11.85283302 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-63-0 5284421 144213234 F F Methyl linoleate O=C(CCCCCCC/C=C\C/C=C\CCCCC)OC Tox21_302917 -NCGC00016446-11 196717686 tox21-ror-cho-viability-p1 set2 4 0.26603212 7.681889236 -8.748737168 -1.066847932 4.9549173134 0.7872615497 0.0103834598 -7.57787249 -5.94672475 -8.98861185 -9.3330066 -8.68154814 -7.68359677 -7.70036419 -14.37394764 -0.05570661 -1.13181391 -0.4430467 -2.32811356 -1.53762472 -0.57328277 -0.32326527 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 443-48-1 4173 170464948 A Metronidazole Cc1ncc([N+]([O-])=O)n1CCO Tox21_110441_1 -NCGC00274076-01 196717280 tox21-ror-cho-viability-p1 set2 4 0.85449757 1.9158377 2.38801214 5.06254863 8.58662138 6.96821143 7.93008351 9.39648068 2.53301913 2.15277385 5.32462332 2.64792984 2.70411038 1.73094144 1.01760005 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122-40-7 31209 170466842 F Pentylcinnamaldehyde O=CC(CCCCC)=Cc1ccccc1 Tox21_112352_1 -NCGC00025212-08 196717284 tox21-ror-cho-viability-p1 set2 -1.1 3.7578035763 -59.2054144778 -2.1002679989 -61.3056824767 3.5117481694 0.9398242253 0.0000229399 -8.18506452 -7.12254723 -2.51032998 -0.55608496 -0.10654027 0.41149428 1.41342741 -1.22569175 -1.42574434 -2.18508372 -4.8993203 -35.31437952 -68.9381533 -69.58925258 -44.67578919 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56-25-7 6708701 170465704 F Cantharidin O=C2OC(=O)[C@]3(C)C1CCC(O1)[C@]23C Tox21_110326_1 -NCGC00181916-01 196717684 tox21-ror-cho-viability-p1 set2 4 2.3399159 2.90788418 1.67489477 1.47156295 1.30827444 -0.00976323 -3.62652192 2.23708062 2.28822304 -1.07608239 -0.44764265 1.8273746 3.52465065 0.54501334 -1.85990806 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 963-14-4 13755 144206640 A A Sulfaethoxypyridazine O=S(=O)(Nc1ccc(OCC)nn1)c2ccc(N)cc2 Tox21_113089 -NCGC00160436-02 196717700 tox21-ror-cho-viability-p1 set2 4 -9.57988946 -8.61745628 -6.44058472 -11.98148064 -8.4991546 -8.48573124 -12.32430056 -10.31178138 -5.05463576 -10.88371468 -6.93521609 -12.89205455 -8.05352908 -10.62494221 -8.13005624 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5467-78-7 21640 170466193 A Fenamol Nc2nnnn2c1ccccc1 Tox21_113085_1 -NCGC00256686-01 196718095 tox21-ror-cho-viability-p1 set2 -3 61.130564862 -47.1336950629 -0.0570909259 -47.1907859888 3.2474983358 0.9440894624 0.0000154811 2.17229993 0.9767967 -2.58112763 2.18658463 -0.28407493 -3.1573492 1.81477609 1.30176364 2.92637442 -1.29069197 1.08111352 -0.2305483 -6.56298725 -8.24767077 -37.64453484 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3209-13-0 76674 144212868 A B 3-Methoxy-5-methylphenol Oc1cc(C)cc(OC)c1 Tox21_302551 -NCGC00260262-01 196724405 tox21-ror-cho-viability-p1 set3 4 0.0943046287 6.6675836599 -2.6675836599 4 1.6258976909 0.5420852812 0.1428923456 -6.38965305 -1.62858037 1.14903833 -3.68514953 -3.86281464 -0.91751497 0.05129422 3.17180487 0.80132733 4.69215271 10.9964087 0.80808086 0.61633744 2.6484452 6.55627904 6.488E-10 1.451E-9 3.244E-9 7.254E-9 1.622E-8 3.6269999999E-8 8.11E-8 1.813E-7 4.055E-7 9.0669999999E-7 0.000002027 0.0000045339999999 0.00001014 0.00002267 0.00005069 10022-31-8 24798 144209912 Barium nitrate [Ba+2].[O-][N+]([O-])=O.[O-][N+]([O-])=O Tox21_202714 -NCGC00260080-01 196724389 tox21-ror-cho-viability-p1 set3 4 -8.80690655 -4.98921756 -4.90882412 -5.02797568 -3.70994729 -4.8584625 -5.12262768 -1.18042896 -0.07873844 -0.1513121 1.02984688 0.84505431 -1.11904115 -1.12624886 1.12102398 1.159E-9 2.592E-9 5.7959999999E-9 1.2959999999E-8 2.898E-8 6.48E-8 1.449E-7 3.24E-7 7.245E-7 0.00000162 0.000003623 0.000008101 0.000018109999999 0.000040499999999 0.00009057 25703-79-1 13539 144209729 F Fns Poly(2-hydroxypropyl methacrylate) CC(=C)C(=O)OCC(C)O Tox21_202531 -NCGC00260405-01 196724399 tox21-ror-cho-viability-p1 set3 4 0.0201597642 5.852391796 -2.352391796 3.5 4.9549173134 0.4823644552 0.1961504955 -6.54365983 0.38900255 0.0750974 -3.62628337 5.44668754 2.88905644 1.36667194 4.0673031 1.54779146 2.86866779 6.01210114 2.41382023 -1.15024022 2.88922717 7.4190878 1.222E-9 2.733E-9 6.1119999999E-9 1.367E-8 3.056E-8 6.8339999999E-8 1.528E-7 3.417E-7 7.64E-7 0.0000017079999999 0.00000382 0.0000085419999999 0.0000191 0.000042709999999 0.000095499999999 623-39-2 92822 144210057 A A 1-O-Methylglycerol OCC(O)COC Tox21_202859 -NCGC00260265-01 196724800 tox21-ror-cho-viability-p1 set3 4 0.0027134075 14.6128684159 -16.1128684159 -1.5 0.7999999999 0.623147793 0.0818615127 -11.76072368 -9.70943156 -1.45113994 -5.70620505 -4.97737227 -6.4054377 -1.64776985 0.9094887 0.51422102 -2.61047196 -0.14877625 -4.08065057 -3.00884773 -2.14609494 0.63807393 1.2919999999E-9 2.888E-9 6.458E-9 1.4439999999E-8 3.229E-8 7.221E-8 1.615E-7 3.6099999999E-7 8.073E-7 0.0000018049999999 0.0000040359999999 0.000009026 0.00002018 0.00004513 0.0001009 110-53-2 8057 144209915 Fns 1-Bromopentane BrCCCCC Tox21_202717 -NCGC00257690-01 196729460 tox21-ror-cho-viability-p1 set3 4 48.2616000528 5.6409496799 -0.6409496799 5 3.9294729863 0.3471660514 0.3283301219 0.65596323 0.39182052 -5.33045434 -5.9507914 0.07951786 -0.65861941 -0.19905566 0.55308998 -0.82732398 0.82483362 1.01574258 -0.118755 -1.34095256 1.26568552 4.79464641 1.1739999999E-9 2.625E-9 5.87E-9 1.3129999999E-8 2.9349999999E-8 6.5629999999E-8 1.468E-7 3.282E-7 7.338E-7 0.000001641 0.000003669 0.000008204 0.00001834 0.00004102 0.00009172 104-88-1 7726 144207334 A A 4-Chlorobenzaldehyde O=Cc1ccc(Cl)cc1 Tox21_200136 -NCGC00255748-01 196728645 tox21-ror-cho-viability-p1 set3 4 7.6958821542 -6.099228204 2 -4.099228204 4.9549173134 0.5414127325 0.1445947515 0 1.55308241 -0.25728671 2.55503745 -0.91824629 2.59705105 5.84975965 0.06770801 4.71957744 -0.57022742 4.63796032 -1.85526179 -5.08269017 -1.3749842 -4.99177533 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1323-38-2 6433266 144212279 F A Glyceryl monoricinoleate OCC(O)COC(=O)CCCCCCC/C=C\C[C@H](O)CCCCCC Tox21_301962 -NCGC00255214-01 196729053 tox21-ror-cho-viability-p1 set3 -2.4 48.5577336745 -26.846550416 0.5 -26.346550416 3.9294729863 0.735710717 0.0240615342 -1.73997362 5.00515197 -3.30808189 8.09678471 0.41569167 -0.98111178 -1.03198899 6.4650609 -1.5351111 -5.26746944 -4.39733235 -2.34054931 3.27105638 -8.61334487 -24.45545868 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-04-6 79688 144211795 A A 2-Chloro-4-phenylphenol Clc2cc(O)ccc2c1ccccc1 Tox21_301478 -NCGC00255358-01 196729058 tox21-ror-cho-viability-p1 set3 4 6.1130564862 14.2058057839 -5.7058057839 8.5 4.9549173134 0.6507141913 0.0636691965 3.37862348 0.87022594 -4.39605396 -7.53520477 -10.78499766 -3.59416314 -13.92150482 -7.68908549 -6.49928881 -3.19624307 -6.25314702 6.14913375 12.35224211 7.97703053 4.52207497 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 42588-37-4 6434236 144212325 A F Kinoprene C\C(=C/C(=O)OCC#C)\C=C\CC(C)CCCC(C)C Tox21_302008 -NCGC00258054-01 196729470 tox21-ror-cho-viability-p1 set3 4 1.76994779 -2.04826775 -2.09580278 -1.66876344 -0.219253 -5.70328945 -0.51365614 -0.01752863 -6.88649006 1.13397328 -5.88067899 -1.68589021 -3.40563766 -1.74870376 0.43481436 1.19E-9 2.6619999999E-9 5.951E-9 1.331E-8 2.976E-8 6.654E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.00000372 0.000008317 0.0000186 0.00004159 0.000092989999999 24589-77-3 90547 144207698 FC 4-Hydrazinobenzoic acid hydrochloride Cl.NNc1ccc(cc1)C(=O)O Tox21_200500 -NCGC00258711-01 196729479 tox21-ror-cho-viability-p1 set3 -1.1 8.6876362104 -78.8547280504 1.2610786204 -77.59364943 3.0654483358 0.9933630074 1E-10 1.73208403 -0.16815026 -0.39318099 -0.70866301 0.10964867 -1.49989531 1.32258212 1.25370968 0.27227585 7.37690034 -4.92060557 -31.86647788 -74.09414503 -74.7653213 -77.40152725 1.1859999999E-9 2.6519999999E-9 5.929E-9 1.326E-8 2.9649999999E-8 6.629E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008286 0.00001853 0.000041429999999 0.00009265 23541-50-6 62770 144208357 A A Daunomycin hydrochloride Cl.CC(=O)[C@@]4(O)C[C@H](O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1)c5c(O)c3C(=O)c2c(OC)cccc2C(=O)c3c(O)c5C4 Tox21_201159 -NCGC00163903-03 196729482 tox21-ror-cho-viability-p1 set3 4 -0.36789681 -0.43001459 0.53107309 0.43643156 0.18148495 0.58996464 0.73007831 0.15924032 1.58452133 2.03482747 2.96508665 2.57820066 2.85594 2.38701061 -1.49132327 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00015802-18 196712893 tox21-ror-cho-viability-p1 set2 -2.4 29.8492948118 -32.3652508999 0 -32.3652508999 2.9522712143 0.8991211135 0.0003380759 3.30432659 3.88487711 -2.09710878 -0.56406587 2.18009789 2.28834055 -0.07332656 -2.37599488 0.59900544 -0.77887577 -0.06698745 -3.51314351 -4.17218261 -7.23948046 -25.30437575 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2062-78-4 16362 170464864 A Pimozide Fc1ccc(cc1)C(CCCN2CCC(CC2)N3c4ccccc4NC3=O)c5ccc(F)cc5 Tox21_110224_1 -NCGC00186464-03 196712491 tox21-ror-cho-viability-p1 set2 4 0.16785492 -5.2047612001 5.5 0.2952387999 3.1319983358 0.4586404987 0.2347699673 2.3597841 11.17842809 2.21782352 3.35885628 2.75401778 9.19113778 9.51065401 1.58709069 0.21067791 0.57188862 2.8803652 0.81684732 -1.00803459 -1.837301 2.86376826 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 173399-03-6 23625795 170465199 A Aliskiren hemifumarate Cl.NC(=O)C(C)(C)CNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc1cc(OCCCOC)c(cc1)OC)C(C)C)C(C)C Tox21_113592_1 -NCGC00182707-03 196712899 tox21-ror-cho-viability-p1 set2 4 0.08315036 -0.9022334 -0.96974771 1.65021345 0.02182382 1.55005055 -0.50324921 -0.44522628 -0.75898467 0.300678 0.35796917 0.3965593 2.1694915 2.193024 1.32989065 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104054-27-5 71310 170466187 A Atipamezole CCC1(Cc2ccccc2C1)c3cncn3 Tox21_113005_1 -NCGC00255965-01 196710443 tox21-ror-cho-viability-p1 set2 4 1.30200394 2.39930712 4.48955175 3.43937411 2.87677482 2.01898647 -0.23862683 1.4104017 -0.05339492 0.82404327 1.61351713 0.61613088 0.68926302 2.33818921 0.0264202 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 83881-52-1 55182 144212578 A A Cetirizine dihydrochloride Cl.Cl.O=C(O)COCCN1CCN(CC1)C(c2ccc(Cl)cc2)c3ccccc3 Tox21_302261 -NCGC00255854-01 196710015 tox21-ror-cho-viability-p1 set2 4 -4.26590502 2.12682325 0.39572865 2.04032587 -0.42433268 2.96778531 0.85662973 1.10457352 0.83075194 1.46492374 0.53597784 1.31880448 -0.19748445 -0.73066279 -1.07823098 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3249-53-4 41331 144212295 A A 4-Ethoxy-4-oxobut-2-enoic acid OC(=O)C=CC(=O)OCC Tox21_301978 -NCGC00256112-01 196710430 tox21-ror-cho-viability-p1 set2 4 -6.30815903 -0.56225068 -0.76938134 -0.71845304 -0.5745061 0.90009 -1.36649202 -8.34109594 1.45103777 2.13034614 -6.41846824 0.49340279 -1.91917084 0.47811614 1.00735404 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2524-64-3 75654 144211982 F A Diphenyl phosphorochloridate ClP(=O)(Oc1ccccc1)Oc2ccccc2 Tox21_301665 -NCGC00255745-01 196710442 tox21-ror-cho-viability-p1 set2 4 0.0243365162 7.341593996 -7.341593996 0 3.1924983358 0.4459461165 0.245948719 -0.20967262 -7.99248333 -14.45132833 -4.90969028 -3.21727099 -0.2256686 2.41970395 -4.51921586 0.60625656 -0.10769346 1.49616407 -4.50828617 2.72273043 1.75248867 -4.67086848 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-05-4 6961 144212347 A Ac Pyromellitic acid OC(=O)c1cc(c(cc1C(=O)O)C(=O)O)C(=O)O Tox21_302030 -NCGC00255617-01 196710846 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -13.437587244 0.5 -12.937587244 4.9549173134 0.5969434642 0.1005067362 6.03420821 -0.41519271 -1.68877522 1.61899839 0.152549 -1.23464349 -1.04473009 -1.69799237 -1.6900469 -0.46383468 2.18525648 -0.02671517 1.69622928 2.57259335 -9.94798937 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 82560-54-1 54886 144211899 A B Benfuracarb CC(C)N(CCC(=O)OCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12 Tox21_301582 -NCGC00255462-01 196710851 tox21-ror-cho-viability-p1 set2 4 -3.77961207 2.45180459 -4.98672062 -0.78375333 -4.14477805 -2.48676646 -3.37476724 0.35199347 -4.65728542 -0.59616802 -1.22966276 0.97814626 0.97181408 -0.37372982 -3.57389495 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 71868-10-5 92387 144211981 A A 2-Methyl-4'-(methylthio)-2-morpholinopropiophenone CC(C)(N1CCOCC1)C(=O)c2ccc(SC)cc2 Tox21_301664 -NCGC00255696-01 196710855 tox21-ror-cho-viability-p1 set2 -2.1 48.5577336745 -83.6404894279 -0.460774522 -84.1012639499 1.6604358099 0.9917988207 3E-10 0.89466647 -0.26817829 -0.61302193 0.50026185 -0.48848623 -1.3611982 -1.20774093 -0.60405311 -0.5307849 -2.59658999 -0.13751784 -2.56116139 -18.59389941 -34.4566301 -63.71307875 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68959-20-6 62253 144212696 A Ac Disiquonium chloride [Cl-].CO[Si](CCC[N+](C)(CCCCCCCCCC)CCCCCCCCCC)(OC)OC Tox21_302379 -NCGC00255142-01 196710857 tox21-ror-cho-viability-p1 set2 4 -2.10527194 -3.66824835 -4.98541457 -4.14875319 -5.29909834 -5.82786033 -0.65834887 -2.08669656 -1.69373848 0.66341717 1.66615891 0.25487986 2.07640056 0.50948829 -1.44987074 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15520-10-2 85862 144211863 Ac F 2-Methylpentanediamine CC(CCCN)CN Tox21_301546 -NCGC00357047-01 196711267 tox21-ror-cho-viability-p1 set2 4 5.4482673282 6.846459684 -8.846459684 -2 4.9549173134 0.3360813051 0.3496071637 -4.13652406 -5.05299962 -7.70454144 -7.10938103 -16.95538307 -9.05602141 -14.25658389 -7.74017459 -3.09354623 -9.51244249 -10.77249028 0 0 -5.52763451 -14.35864834 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13963-57-0 91759529 251919866 A Aluminum trisacetoacetate C\C(=[O+]\[Al](\[O+]=C(\C)[CH-]C(C)=O)\[O+]=C(\C)[CH-]C(C)=O)[CH-]C(C)=O Tox21_303741 -NCGC00254636-01 196720544 tox21-ror-cho-viability-p1 set3 1.4 0.0076958822 20.669689784 -22.197661044 -1.52797126 0.4 0.6903575197 0.042718827 -15.18623905 -18.49805087 -7.81759217 -7.96261351 -11.89769117 -10.10182319 -0.575878 -9.66948792 -5.61293578 -4.93079309 -2.58646389 -0.43997605 -2.21164648 -0.664839 -4.21144904 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 333-41-5 3017 144211047 A D Diazinon Cc1cc(OP(=S)(OCC)OCC)nc(n1)C(C)C Tox21_300730 -NCGC00015563-13 196705542 tox21-ror-cho-viability-p1 set1 4 -0.32636555 -4.50396201 0.10311352 -0.59855387 0.17870858 3.31926028 -1.59478626 -3.31663731 0.40322876 0.2510635 0.56388796 3.54740863 0.42640727 0.16719385 0.27498983 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-49-7 3696 170464777 A Imipramine CN(C)CCCN2c3ccccc3CCc1ccccc12 Tox21_110174_1 -NCGC00160525-02 196705544 tox21-ror-cho-viability-p1 set1 4 -1.81510394 -0.75761495 2.55914045 -0.28243427 -3.2159984 1.45718312 -4.82413843 -0.1065539 0.06801581 1.5279174 2.13241054 -0.81551299 -0.54025386 -2.70430412 -1.39326363 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 151319-34-5 5719 170465168 A Zaleplon CC(=O)N(CC)c1cccc(c1)c2ccnc3c(cnn23)C#N Tox21_111872_1 -NCGC00178395-04 196705553 tox21-ror-cho-viability-p1 set1 4 -0.00115861 -0.6273336 0.01063221 1.23469438 -2.60295336 -0.74400245 -1.97616374 0.69754904 -2.70359387 -2.2714353 0.85455963 -0.98630614 1.19890958 -2.38180401 1.81534406 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 129-77-1 8520 170465927 A Piperidolate hydrochloride Cl.CCN3CCCC(OC(=O)C(c1ccccc1)c2ccccc2)C3 Tox21_110415_1 -NCGC00254467-01 196720137 tox21-ror-cho-viability-p1 set3 -2.1 21.6899429044 -107.7480051993 3.2101749505 -104.5378302488 0.9999999999 0.9745150133 1.914E-7 7.67077707 1.60139689 -1.28105809 8.75463269 11.62755554 0.66416607 -4.32716613 -1.18494664 -1.00669334 -8.14694473 -7.33698599 -22.8562732 -52.06967322 -64.70898521 -84.16894545 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2634-33-5 17520 144210807 A A 1,2-Benzisothiazolin-3-one O=C2NSc1ccccc12 Tox21_300489 -NCGC00254517-01 196720540 tox21-ror-cho-viability-p1 set3 4 1.52419703 2.45239005 6.05832205 13.23687138 -0.72209124 7.64039092 -1.56751604 0.4753561 -0.51431906 -1.81635104 6.28473689 11.31996064 15.36992905 10.01171554 2.67369534 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-65-0 7820 144210668 A Ac Dimethyl succinate COC(=O)CCC(=O)OC Tox21_300350 -NCGC00254133-01 196720539 tox21-ror-cho-viability-p1 set3 4 6.53760937 4.42419192 4.82596026 -3.14285914 12.68950402 11.14888126 -1.76769646 10.34091985 5.54203992 11.5043086 4.82916923 1.13782515 -0.86904192 0.69903988 5.29595986 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-07-7 7367 144210501 BC Ac Benzotrichloride ClC(Cl)(Cl)c1ccccc1 Tox21_300181 -NCGC00259595-01 196720962 tox21-ror-cho-viability-p1 set3 -2.1 68.6593799697 -104.6659552712 -5.322265047 -109.9882203182 4.4494702849 0.9595430775 0.0000026091 -5.23167031 -1.58834181 -1.20277318 5.51274591 -5.71182582 -7.26017547 -5.80081321 -6.94106979 -7.15543653 -4.30964286 -5.77110696 -12.24455282 -13.23586903 -14.77448679 -87.70990456 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.953E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.000001651 0.0000036909999999 0.000008253 0.000018449999999 0.000041259999999 0.00009227 2312-35-8 4936 144209244 A A Propargite CC(C)(C)c1ccc(cc1)OC2CCCCC2OS(=O)OCC#C Tox21_202046 -NCGC00258981-01 196720963 tox21-ror-cho-viability-p1 set3 4 43.8940033243 22.9935090839 -4.4935090839 18.5 3.0654483358 0.9032396814 0.0002750062 -5.72647017 -1.89662147 -2.85814 -0.43005547 -5.02401404 -6.01342207 -5.15743257 -5.72292734 -5.09787736 -3.74304911 -6.66125757 -4.48052439 -6.1970439 7.64453062 15.69318291 1.194E-9 2.6689999999E-9 5.969E-9 1.335E-8 2.985E-8 6.6739999999E-8 1.4919999999E-7 3.337E-7 7.4609999999E-7 0.000001668 0.0000037309999999 0.000008342 0.00001865 0.00004171 0.000093269999999 818-61-1 13165 144208628 A A 2-Hydroxyethyl acrylate C=CC(=O)OCCO Tox21_201430 -NCGC00259293-01 196720967 tox21-ror-cho-viability-p1 set3 4 31.0745746132 11.6675102839 -3.1675102839 8.5 4.9549173134 0.6144770769 0.0872650147 -6.80625857 -1.7543446 0.4599861 5.09079439 -3.58437446 -3.86234257 -4.29735565 -4.64293031 -5.70034407 -0.67759843 -3.88674819 -5.05136293 -3.24036369 6.73785287 8.29084985 1.194E-9 2.67E-9 5.9699999999E-9 1.335E-8 2.985E-8 6.6739999999E-8 1.4919999999E-7 3.337E-7 7.4619999999E-7 0.000001669 0.0000037309999999 0.000008343 0.00001866 0.00004171 0.00009328 1646-87-3 9568700 144208942 A A Aldicarb sulfoxide CC(C)(\C=N\OC(=O)NC)S(C)=O Tox21_201744 -NCGC00258836-01 196720970 tox21-ror-cho-viability-p1 set3 4 3.9120571641 7.6629454079 -11.9915489559 -4.328603548 1.9673362061 0.5394681059 0.1450052829 -13.92694494 -7.38064306 -14.40655658 -7.76416788 -11.90448103 -11.91076485 -14.03173047 -11.8876517 -17.90962413 -6.92755646 -10.71511122 -2.77383629 -7.41133569 -4.40356795 -3.40230147 1.194E-9 2.6689999999E-9 5.969E-9 1.335E-8 2.985E-8 6.6739999999E-8 1.4919999999E-7 3.337E-7 7.4609999999E-7 0.000001668 0.0000037309999999 0.000008342 0.00001865 0.00004171 0.000093269999999 110-65-6 8066 144208482 B B 2-Butyne-1,4-diol OCC#CCO Tox21_201284 -NCGC00259168-01 196720974 tox21-ror-cho-viability-p1 set3 4 3.36449579 -5.48606469 4.07904171 -1.61232419 0.26608362 0.57165687 1.77008679 3.57221 0.39507878 0.75821686 1.4733494 3.47302616 -5.21267074 3.33912252 3.78953094 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 21725-46-2 30773 144208817 A A Cyanazine Clc1nc(NCC)nc(NC(C)(C)C#N)n1 Tox21_201619 -NCGC00259618-01 196721358 tox21-ror-cho-viability-p1 set3 4 -6.64529151 -2.21064823 -0.56692089 3.68015683 -2.72514089 -5.19042167 -4.93313883 -4.0764125 -4.52161469 -2.30456029 -7.69344592 -4.18578464 -2.88301421 -3.87049792 -1.51226762 1.172E-9 2.622E-9 5.862E-9 1.311E-8 2.931E-8 6.554E-8 1.466E-7 3.277E-7 7.328E-7 0.0000016379999999 0.000003664 0.000008192 0.00001832 0.00004096 0.00009159 58-89-9 727 144209267 A Ac Lindane Cl[C@H]1[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H]1Cl Tox21_202069 -NCGC00024762-04 196697578 tox21-ror-cho-viability-p1 set1 4 5.3132141 4.19152423 -3.34237268 -1.7454555 -0.41220697 4.12205348 2.86882903 -3.19492435 0.79902495 1.07623098 0.17045208 -1.73080672 -2.16635724 -2.5745515 -4.02236917 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98774-23-3 108092 170466289 A Tesmilifene hydrochloride CCN(CCOc1ccc(cc1)Cc2ccccc2)CC Tox21_110924_1 -NCGC00274078-01 196697556 tox21-ror-cho-viability-p1 set1 4 -0.15092636 5.97536596 -2.27135337 0.33284933 2.05055514 -4.55242289 0.57414772 3.51394423 0.20950289 -2.79718964 0.67121078 -0.04755701 1.82033967 0.36299994 -0.43668712 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127-31-1 31378 170464959 F Fludrocortisone OCC(=O)[C@@]4(O)CC[C@@H]2[C@]4(C)C[C@H](O)[C@]1(F)[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_113344_1 -NCGC00018215-06 196697567 tox21-ror-cho-viability-p1 set1 4 1.88081169 -0.26791954 -9.19024059 -1.27363476 -1.16911666 2.17820123 -0.56935104 0.91056216 -0.41223298 -7.2380981 -1.5004536 -1.59705747 1.33431943 -2.41567674 2.04974176 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 34381-68-5 441307 170465309 A Acebutolol hydrochloride Cl.CC(C)NCC(O)COc1ccc(cc1C(C)=O)NC(=O)CCC Tox21_110633_1 -NCGC00181002-04 196697571 tox21-ror-cho-viability-p1 set1 -2.1 29.8492948118 -110.7899012039 0.0638388059 -110.726062398 2.9522712143 0.9964032748 0 0.46525036 1.48378464 0.34586568 -2.99978533 -0.68540342 0.20726125 0.40703899 -0.05107356 1.04465512 -0.45924494 1.33771831 0.48726318 -6.43380301 -27.67109909 -87.8778273 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 364782-34-3 156418 170465336 A Cinacalcet hydrochloride Cl.FC(F)(F)c3cccc(CCCN[C@H](C)c2cccc1ccccc12)c3 Tox21_112654_1 -NCGC00344532-01 196697600 tox21-ror-cho-viability-p1 set1 4 2.10925349 3.970735 -0.19914802 0.44859094 5.71889897 3.15271371 -0.16554762 3.89406649 0.9499091 1.69710125 0.27742546 7.90063102 -0.12996533 0.95847205 4.95451144 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 526-99-8 3037582 170464883 Z Mucic acid O[C@@H]([C@H](O)[C@H](O)[C@@H](O)C(=O)O)C(=O)O Tox21_113190_1 -NCGC00016386-06 196697606 tox21-ror-cho-viability-p1 set1 4 0.53907183 0.89515045 -0.1378699 1.22994726 4.67531764 -0.34056852 -0.33789148 6.00222139 2.410387 0.51789615 3.08486258 1.74301612 -0.1778339 -0.79448073 0.50365883 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127-79-7 5325 170464738 A Sulfamerazine O=S(=O)(Nc1nc(C)ccn1)c2ccc(N)cc2 Tox21_110411_1 -NCGC00253767-01 196697619 tox21-ror-cho-viability-p1 set1 4 0.46910265 2.05619115 0.33891321 -3.1236219 -4.62462315 0.54596368 0.00991339 1.58271677 0.09007452 -0.18138658 0.08522671 4.67049483 -1.57251632 0.98956747 1.67341638 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 163252-36-6 72327 170466517 A A Clevudine CC1=CN(C(=O)NC1=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F Tox21_113880 -NCGC00255760-01 196727988 tox21-ror-cho-viability-p1 set3 4 0.0015355304 10.528102736 -8.028102736 2.5 4.9549173134 0.4508088793 0.2263358077 -5.85675228 1.72991198 1.94051327 2.48820189 1.18044413 4.27225515 5.4260388 1.35211982 4.85987958 5.34163712 5.55453724 1.20847933 -2.44873316 -1.27553647 1.77960268 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63284-71-9 91683 144211568 A A Nuarimol OC(c1ccccc1Cl)(c2cncnc2)c3ccc(F)cc3 Tox21_301251 -NCGC00257089-01 196727572 tox21-ror-cho-viability-p1 set3 -1.1 2.9843222846 -118.0191425139 4.8114351469 -113.207707367 0.5 0.9354197735 0.0000334673 0.03115814 0.28662727 -0.72356779 0.03246525 1.17434455 -0.32793747 1.13349152 -27.15298366 -38.33974003 -41.15380793 -38.95366725 -63.36554507 -52.46948558 -90.71130398 -90.237587 5.898E-10 1.319E-9 2.9489999999E-9 6.5939999999E-9 1.4739999999E-8 3.297E-8 7.3719999999E-8 1.6489999999E-7 3.6859999999E-7 8.243E-7 0.000001843 0.000004121 0.000009216 0.000020609999999 0.00004608 13463-41-7 26041 144213522 A Zinc pyrithione [O-][n+]2ccccc2S[Zn]Sc1cccc[n+]1[O-] Tox21_303205 -NCGC00256779-01 196727580 tox21-ror-cho-viability-p1 set3 4 0.0022816133 11.333981976 -5.833981976 5.5 0.2 0.3466304462 0.327671289 -3.19498498 2.47443244 -0.52379379 2.71623279 -0.45557741 0.40829084 3.76294936 0.52627863 4.21010294 6.71558466 0.40372222 0.87049115 3.1679295 2.76891368 7.58735167 9.2299999999E-10 2.064E-9 4.615E-9 1.0319999999E-8 2.308E-8 5.16E-8 1.154E-7 2.58E-7 5.7689999999E-7 0.00000129 0.000002884 0.00000645 0.00001442 0.00003225 0.00007211 911217-00-0 60196433 144212843 A A Ammonium glycyrrhizinate trihydrate [NH4+].O.O.O.O=C(O)[C@@]6(C)CC[C@]7(C)CC[C@]5(C)C(=CC(=O)[C@H]4[C@@]5(C)CC[C@@H]3[C@]4(C)CC[C@H](O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C([O-])=O)[C@@]3(C)C)[C@@H]7C6 Tox21_302526 -NCGC00257116-01 196727581 tox21-ror-cho-viability-p1 set3 4 -4.13229324 -6.50233711 -3.4964707 -6.71503187 -0.41239439 -6.06825116 -5.45797674 -0.14212122 -3.84989493 0.99965929 1.44631334 1.22247782 0.18632606 1.57358441 1.59444281 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2778-42-9 17719 144213606 F F 1,3-Bis(2-isocyanatopropan-2-yl)benzene CC(C)(\N=C=O)c1cccc(c1)C(C)(C)/N=C=O Tox21_303289 -NCGC00255556-01 196727989 tox21-ror-cho-viability-p1 set3 4 -2.28696346 0.25243449 3.02793908 2.95619243 3.12176384 -0.61188585 4.55891419 0.45377614 1.107722 1.73389754 -0.52041194 0.6686515 0.0081467 -3.11031048 2.45167592 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 129-06-6 16204922 144211862 A A Sodium warfarin [Na+].CC(=O)CC(C1=C([O-])c2ccccc2OC1=O)c3ccccc3 Tox21_301545 -NCGC00095160-03 196717406 tox21-ror-cho-viability-p1 set2 4 0.2984929481 4.6561942319 -3.1561942319 1.5 0.7999999999 0.3916605514 0.2835466031 0.37968048 -2.6545128 -8.88016186 -5.59098851 0.8608492 -1.42808594 -0.72337369 -2.97775004 -1.18744059 0.11741287 1.93246566 0.04807054 1.32364165 2.44322803 0.46086262 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 22839-47-0 134601 170466109 A Aspartame O=C(O)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC Tox21_111080_1 -NCGC00015646-05 196716996 tox21-ror-cho-viability-p1 set2 4 0.09618937 -0.58238461 0.14768256 -0.05681675 -0.2017269 1.74380877 0.78582642 -0.17440397 -0.27413954 -1.05684764 -3.48746941 -0.22420873 -1.46958012 4.50393219 0.78075706 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56010-88-9 11957593 170465026 A Fomepizole Cl.Cc1cnnc1 Tox21_111241_1 -NCGC00091225-06 196716997 tox21-ror-cho-viability-p1 set2 4 0.90940228 1.33884253 -0.65201795 -0.95800661 -2.19587551 0.30193586 -0.0052338 1.50685338 -2.30733854 -1.77563064 0.89368088 0.66374934 -1.27805333 -2.35806694 -2.52272454 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80-13-7 3552 170466384 F Halazone O=S(=O)(N(Cl)Cl)c1ccc(cc1)C(=O)O Tox21_111104_1 -NCGC00090708-05 196717400 tox21-ror-cho-viability-p1 set2 -1.1 3.8570778872 -65.5447500191 -1.5952153449 -67.139965364 1.8851180601 0.9819283532 2.64E-8 -0.68544305 -7.00003632 -1.90517257 -2.87055613 1.66884898 -2.13869252 -1.85697309 -4.31791166 -2.29285523 -7.80818389 -33.10067181 -59.65713423 -69.28330447 -65.62087773 -59.00410903 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00254939-01 196714520 tox21-ror-cho-viability-p1 set2 4 27.3060203028 -12.1121439 1 -11.1121439 4.9549173134 0.8465389499 0.0039351796 1.65783667 2.43710843 0.41995757 -0.36452842 1.91392828 2.16452732 1.84286882 2.44619802 -1.07431474 1.8985256 0.639525 -1.13031429 0.6474354 -10.09345325 1.21164862 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-75-2 7828 144211354 FC Carbonochloridic acid, oxydi-2,1-ethanediyl ester O=C(Cl)OCCOCCOC(Cl)=O Tox21_301037 -NCGC00254982-01 196714097 tox21-ror-cho-viability-p1 set2 4 2.4336516212 6.8978687161 0.6021312839 7.5 0.8999999999 0.6651117318 0.0564724975 -0.19826424 -0.74822393 0.050299 1.21432567 2.41258899 1.84291824 0.09085395 0.05160717 3.68720866 5.68434731 0.36665332 6.61882834 9.96453453 6.40253863 5.78865522 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-37-3 7749 144211398 FNS Ethyl propionate CCC(=O)OCC Tox21_301081 -NCGC00090686-07 196714102 tox21-ror-cho-viability-p1 set2 2.4 4.8557733675 22.427377292 -10.427377292 12 0.3 0.7082758048 0.0346249349 -4.33032947 -14.52281441 -6.45991629 -5.02436325 -7.06176352 -10.29200433 -3.64493824 -0.36789423 -1.44311365 0.10352848 -2.19784122 0.30396283 3.37598626 1.02988949 9.85231468 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00254189-01 196714109 tox21-ror-cho-viability-p1 set2 4 2.15570837 0.36593025 0.0203862 2.29759549 1.5069692 1.36251652 0.52470002 0.07725745 1.97334212 1.16301511 1.26967368 4.09859845 3.98952893 5.15491851 3.68024359 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27178-16-1 33733 144210630 D Diisodecyl hexanedioate CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C Tox21_300310 -NCGC00254213-01 196714522 tox21-ror-cho-viability-p1 set2 4 2.09608219 0.38126123 -1.33496025 1.4435217 0.09238496 0.33836667 0.85644882 -4.68431495 1.42204042 1.89243196 2.26807555 -3.94676619 -3.69066687 -4.32071674 2.37387158 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-54-4 7393 144210423 A A 4-tert-Butylphenol CC(C)(C)c1ccc(O)cc1 Tox21_300103 -NCGC00254961-01 196714926 tox21-ror-cho-viability-p1 set2 4 -2.36450179 1.33745164 -0.65064013 -0.31299317 0.26665189 -0.06610162 -0.09695686 -1.94542703 0.76659185 4.72752361 -2.52774452 1.42084787 3.33944723 1.90570686 3.72161002 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98886-44-3 91758 144211376 A A Fosthiazate CC(CC)SP(=O)(OCC)N1CCSC1=O Tox21_301059 -NCGC00254750-01 196714937 tox21-ror-cho-viability-p1 set2 4 0.71037506 -0.20134363 8.31564047 7.3617009 1.17953237 8.15361727 1.10211034 0.18765531 1.49717943 7.20176499 7.3557838 10.27362867 8.18929264 1.4128424 1.22839491 1.485E-9 3.3199999999E-9 7.423E-9 1.66E-8 3.712E-8 8.3E-8 1.8559999999E-7 4.1499999999E-7 9.2789999999E-7 0.000002075 0.00000464 0.000010369999999 0.000023199999999 0.000051869999999 0.000116 104-54-1 308 144211164 A 3-Phenyl-2-propen-1-ol OCC=Cc1ccccc1 Tox21_300847 -NCGC00255096-01 196714939 tox21-ror-cho-viability-p1 set2 4 3.4376242854 7.118486084 0.881513916 8 0.9999999999 0.722092572 0.0296490215 2.32084064 0.52736793 -0.21156815 -0.09220019 -0.10961878 4.65560334 2.24101484 -1.76540507 2.93399847 3.46148264 4.01846366 5.29241494 8.80385857 6.61112598 7.04438335 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-63-2 4348 144211516 B N-Benzylethanolamine OCCNCc1ccccc1 Tox21_301199 -NCGC00254748-01 196714943 tox21-ror-cho-viability-p1 set2 -2.4 27.3060203028 -23.58381074 1 -22.58381074 4.9549173134 0.9549861602 0.0000122315 -0.76719963 -0.74640395 0.51658588 2.1175802 1.75470086 1.07330408 -0.26056166 2.69960234 1.12461421 1.14653682 2.05987684 -0.4291241 -0.04956408 -20.48650895 -9.60491812 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 300-76-5 4420 144211162 F Naled COP(=O)(OC)OC(Br)C(Cl)(Br)Cl Tox21_300845 -NCGC00255290-01 196728309 tox21-ror-cho-viability-p1 set3 4 -0.79321676 -2.1105389 -0.11060283 5.99651396 -1.30097803 -0.80366222 3.43079354 0.27163659 1.13001673 -0.94847716 0.57438722 0.69069468 0.6077781 -0.09043768 1.16312375 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-11-5 6518 144212064 F Fns Pentaerythritol tetranitrate O=[N+]([O-])OCC(CO[N+](=O)[O-])(CO[N+]([O-])=O)CO[N+]([O-])=O Tox21_301747 -NCGC00256746-01 196726971 tox21-ror-cho-viability-p1 set3 4 4.36618949 1.24740207 0.23512701 0.12588441 2.03011962 2.04288618 -0.72279926 3.06447115 0.1544691 4.99099992 4.72166555 2.28611023 -0.74647559 0.58563661 1.00377794 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 15707-23-0 27457 144212930 A F 3-Ethyl-2-methylpyrazine Cc1nccnc1CC Tox21_302613 -NCGC00255678-01 196727895 tox21-ror-cho-viability-p1 set3 4 1.77614166 -1.36123354 7.65028727 2.20120386 -1.05372922 -0.1674466 -7.68979047 -10.23857782 -8.96919114 -3.84315215 -8.0220651 9.80305713 -0.29922372 4.12008014 4.22975195 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1124-04-5 70754 144212242 A A 2-Chloro-4,5-dimethylphenol Cc1cc(O)c(Cl)cc1C Tox21_301925 -NCGC00255917-01 196728290 tox21-ror-cho-viability-p1 set3 4 -1.70628986 3.57520664 1.18249301 5.44339815 1.99739236 3.24307007 7.95896608 1.17052708 -0.27993649 2.19018689 -0.472486 2.1554993 -0.93398095 0.35953738 -0.73420675 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 130-14-3 23661867 144211839 A A Sodium 1-naphthalenesulfonate [Na+].[O-]S(=O)(=O)c2cccc1ccccc12 Tox21_301522 -NCGC00255870-01 196728307 tox21-ror-cho-viability-p1 set3 4 2.10846539 -4.07562345 8.68647602 2.2936295 0.21329795 0.11329601 2.35064262 2.55393334 1.19100664 2.95163952 2.85743667 1.91070083 0.71679191 2.24948068 2.19955859 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19406-86-1 88043 144212435 A A 3-Amino-4-methylbenzamide Cc1ccc(cc1N)C(N)=O Tox21_302118 -NCGC00255322-01 196728706 tox21-ror-cho-viability-p1 set3 4 1.17907868 19.03290668 13.70052122 11.60386622 -0.72476488 4.61759914 -3.81411007 14.48885679 12.34291627 9.20742563 7.06934999 8.23452577 -1.5191122 -2.91715991 -1.511553 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51632-16-7 94544 144211960 F A 1-(Bromomethyl)-3-phenoxybenzene BrCc2cc(Oc1ccccc1)ccc2 Tox21_301643 -NCGC00256217-01 196728707 tox21-ror-cho-viability-p1 set3 4 0.1219715124 10.0120765999 -6.5120765999 3.5 4.9549173134 0.5919451547 0.1028576318 -1.25159763 -12.9267305 -3.98455953 -0.67431323 -10.38973979 -11.0871914 0.68099158 8.63660784 6.39136951 2.36681537 6.49031024 1.73067588 1.13739074 -2.59353913 3.1718251 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6375-27-5 80777 144212530 A C N-(2,5-Dimethoxyphenyl)-3-oxobutanamide COc1ccc(cc1NC(=O)CC(C)=O)OC Tox21_302213 -NCGC00256028-01 196728718 tox21-ror-cho-viability-p1 set3 4 30.6378586933 -8.767345536 1.5 -7.267345536 4.9549173134 0.4416313563 0.2335914626 -1.61390471 -0.38662582 1.48680402 -0.09141443 -6.62681661 2.96368416 5.49438924 0.45879762 4.95576707 0.77072413 4.32060262 1.55155231 3.23922115 -7.30612128 -6.06176872 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23432-62-4 90098 144212123 F A Methyl [3-(trimethoxysilyl)propyl]carbamate CO[Si](CCCNC(=O)OC)(OC)OC Tox21_301806 -NCGC00255975-01 196728724 tox21-ror-cho-viability-p1 set3 1.2 1.3685428777 36.15804015 -0.386900262 35.771139888 1.331 0.864553085 0.0022497472 2.28492614 9.20187624 5.69705807 0.89078715 -8.57982729 -7.96694752 -6.67010347 8.92727061 16.99549122 14.28074608 30.16550383 31.55385274 34.33111968 35.50909757 26.20244254 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 765-15-1 69827 144212241 A Ac Lauryl thiocyanate N#CSCCCCCCCCCCCC Tox21_301924 -NCGC00255561-01 196728725 tox21-ror-cho-viability-p1 set3 4 0.0432771257 -7.149138112 7.5 0.350861888 4.9549173134 0.4595847666 0.2161360347 1.02184252 12.38842026 5.01741323 8.52540677 9.24511208 -2.9866252 2.36934117 0.43523464 6.17704646 0.55744559 -5.12428176 0.75630179 1.61233977 1.68248304 -1.36036094 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 644-64-4 12572 144212172 A A Dimetilan O=C(N(C)C)n1nc(OC(=O)N(C)C)cc1C Tox21_301855 -NCGC00255272-01 196728727 tox21-ror-cho-viability-p1 set3 4 54.4826732819 -21.476770648 1 -20.476770648 3.9899729863 0.6935093695 0.0411731514 3.73300801 -8.59979912 -3.30796723 2.58045222 5.5451263 -1.05449066 2.78238719 3.07462126 -0.03673411 1.96223142 1.38922815 1.42317177 1.74047104 -4.14695443 -18.31397554 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3547-33-9 19079 144212282 A A 2-Hydroxyethyl octyl sulfide OCCSCCCCCCCC Tox21_301965 -NCGC00255691-01 196728730 tox21-ror-cho-viability-p1 set3 4 3.41023242 12.84804632 10.22493227 -4.76237646 10.49053329 -2.70306034 12.62365105 1.8933171 3.59277573 1.56804117 -0.46303141 -0.87317954 3.06848055 6.98708121 7.08211117 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 5146-66-7 21768 144212430 I Fns 3,7-Dimethyl-2,6-octadienenitrile C\C(C)=C\CCC(C)=CC#N Tox21_302113 -NCGC00255577-01 196729125 tox21-ror-cho-viability-p1 set3 4 -0.30915924 -1.60001523 2.85965164 8.03203694 1.1340457 0.1140582 4.99168197 2.03527398 1.85041051 0.83776311 0.25282176 3.49719663 12.03368196 1.18986991 6.45955303 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-73-8 7254 144212440 Z Fns 2,4-Dichlorotoluene Clc1cc(Cl)c(C)cc1 Tox21_302123 -NCGC00015149-16 196697973 tox21-ror-cho-viability-p1 set1 4 -0.98481323 3.84896711 3.64386157 1.32710857 2.41784056 1.08754317 1.0862203 2.91780486 -5.76558701 1.08543877 2.96151296 -2.67146739 0.85078571 -1.99232229 2.3175646 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 28395-03-1 2471 170464735 A Bumetanide O=S(N)(=O)c2cc(cc(NCCCC)c2Oc1ccccc1)C(=O)O Tox21_110088_1 -NCGC00167962-06 196697975 tox21-ror-cho-viability-p1 set1 4 6.19916311 2.11083351 -0.00358006 0.61797641 3.95666401 1.94036673 3.97046897 2.88610957 0.58820052 1.38716111 0.3324306 3.06112292 1.62933458 0.05363736 -0.63601472 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82586-55-8 54891 170465312 A Quinapril hydrochloride Cl.O=C(OCC)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2Cc3ccccc3C[C@H]2C(=O)O Tox21_111381_1 -NCGC00259513-01 196724134 tox21-ror-cho-viability-p1 set3 -2.2 60.8819825247 -65.6117296498 -1.0310624649 -66.6427921147 3.5722481694 0.894186734 0.0004262228 -10.48098262 -0.58390914 5.65699426 -5.83824999 -3.34212466 3.42993548 3.52726459 4.77461682 -3.30592227 -1.87262536 3.92787911 -8.46947721 -2.51701078 -13.48956958 -54.65363039 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.315E-8 2.94E-8 6.573E-8 1.4699999999E-7 3.2869999999E-7 7.3489999999E-7 0.000001643 0.0000036749999999 0.000008217 0.00001837 0.00004108 0.00009187 169590-42-5 2662 144209162 A A Celecoxib NS(=O)(=O)c1ccc(cc1)n3nc(cc3c2ccc(C)cc2)C(F)(F)F Tox21_201964 -NCGC00357260-01 196724138 tox21-ror-cho-viability-p1 set3 4 0.0243365162 7.4436881799 -6.9436881799 0.5 4.9549173134 0.4575201857 0.217859823 -10.12337489 -1.73059512 -2.64059768 -14.11974015 0.25438383 1.81401644 -1.35035653 5.07520665 -3.28997338 0.30179582 -1.78321378 -3.67292321 2.05939933 3.07377617 3.635529 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16529-56-9 27909 251919687 Ac 2-Methyl-3-butenenitrile C=CC(C)C#N Tox21_303720 -NCGC00015834-19 196698384 tox21-ror-cho-viability-p1 set1 4 -6.90711902 -3.24575277 -0.27084962 -2.30602579 -4.49923177 -5.83599424 0.20056871 -3.37759462 -7.03970572 -0.23222969 -1.58893129 -2.98075319 -6.62084827 -3.40890307 -1.63067808 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 125-33-7 4909 170464846 A Primidone CCC1(C(=O)NCNC1=O)c2ccccc2 Tox21_110238_1 -NCGC00091532-04 196698397 tox21-ror-cho-viability-p1 set1 -2.2 55.1482208978 -72.6988689307 0.0975545539 -72.6013143768 1.692447691 0.9651150773 0.0000011393 0.89502239 -0.03350097 -0.63682582 0.26588718 0.22799841 -2.12272029 -0.8583341 2.59619226 0.20544582 4.02345872 -3.85809444 -6.12419911 -13.43649245 -22.0566203 -55.00099574 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00159510-05 196698399 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -22.428957124 1 -21.428957124 4.0949729863 0.8015583625 0.0077606959 0.45568705 7.13815342 -0.11201555 -1.81155161 0.25607055 0.60357379 0.48464735 4.59197856 1.118038 0.19139022 -1.23134606 -0.06767305 -0.75680881 -1.55057489 -16.60746427 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 129722-12-9 60795 170465392 A Aripiprazole Clc4cccc(N3CCN(CCCCOc1ccc2CCC(=O)Nc2c1)CC3)c4Cl Tox21_111728_1 -NCGC00091125-07 196698408 tox21-ror-cho-viability-p1 set1 4 23.7101376556 -10.963244736 0.5 -10.463244736 3.1319983358 0.8241201446 0.004735572 1.79287122 -2.48846549 0.5351391 0.45250689 -0.21834518 -0.17441484 0.43742445 0.83864882 0.31414021 1.80605907 2.85097506 1.76646192 1.16262465 -4.00772194 -9.13603728 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 149-91-7 370 170465633 Ac Gallic acid Oc1cc(cc(O)c1O)C(=O)O Tox21_111089_1 -NCGC00254218-01 196698803 tox21-ror-cho-viability-p1 set1 4 2.66241586 -0.45343407 -2.3420981 0.52712043 -0.07867204 -0.80459021 -3.47625523 -3.48512748 -2.96462703 -2.03640805 -1.03175586 0.54986874 -2.99352393 1.08164787 0.0673853 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-39-5 5280343 144210605 A A Quercetin Oc1ccc(cc1O)C=3Oc2cc(O)cc(O)c2C(=O)C=3O Tox21_300285 -NCGC00254992-01 196698808 tox21-ror-cho-viability-p1 set1 4 1.62849632 -1.8568985 -0.85299423 2.19611744 0.91712078 0.75124441 4.61906439 -0.75803465 -1.22126826 4.65822542 -2.88106784 2.10106922 -0.04452879 2.99735889 3.74635605 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-58-4 7877 144211409 A Ac tert-Butylacrylamide CC(C)(C)NC(=O)C=C Tox21_301092 -NCGC00255045-01 196698819 tox21-ror-cho-viability-p1 set1 4 4.11044571 0.14310092 5.01576193 3.2940439 -7.61065999 2.66955752 4.01511933 0.63667402 0.45465309 3.44645202 3.35230601 2.97380273 2.49227933 -0.47923265 4.46953474 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-81-5 7580 144211464 A A Diphenylmethane c1ccccc1Cc2ccccc2 Tox21_301147 -NCGC00091044-02 196698820 tox21-ror-cho-viability-p1 set1 4 2.19351801 -4.95470354 0.44673474 -0.32775808 0.97807526 2.59018128 -12.24856661 5.9737328 -5.88487075 -10.14861717 0.98360861 -15.39695266 -4.26591692 0.47276643 -11.02813874 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00254589-01 196698823 tox21-ror-cho-viability-p1 set1 4 2.35443316 1.36856742 -1.41988688 1.18497606 0.25226389 2.04022836 2.43788152 -0.24033968 0.52039716 -0.96051138 1.15564822 -0.29126281 2.73802481 2.18758457 0.08052271 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25606-41-1 15575641 144210998 A A Propamocarb hydrochloride Cl.O=C(NCCCN(C)C)OCCC Tox21_300681 -NCGC00259221-01 196721521 tox21-ror-cho-viability-p1 set3 4 -2.60858337 4.08373125 -5.72140048 -5.42472164 0.01306107 -0.13307366 -3.25092254 -0.36039333 -3.55611996 3.16103794 1.42578199 -0.37652664 1.93745553 -6.85292407 -8.13084979 1.172E-9 2.6199999999E-9 5.859E-9 1.31E-8 2.929E-8 6.55E-8 1.465E-7 3.275E-7 7.324E-7 0.0000016379999999 0.000003662 0.000008188 0.00001831 0.00004094 0.00009154 2530-83-8 17317 144208870 F Trimethoxy[3-(oxiran-2-ylmethoxy)propyl]silane CO[Si](CCCOCC1CO1)(OC)OC Tox21_201672 -NCGC00254827-01 196720698 tox21-ror-cho-viability-p1 set3 4 12.7869678 5.52669613 8.19490667 12.60173092 13.04324256 8.35939063 6.95468713 19.12412085 21.48439266 16.07925583 -4.45875641 7.83309915 4.23490263 10.7762582 4.46543084 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 76738-62-0 616765 144211242 A A Paclobutrazol OC(C(Cc1ccc(Cl)cc1)n2cncn2)C(C)(C)C Tox21_300925 -NCGC00259521-01 196721105 tox21-ror-cho-viability-p1 set3 4 0.1684419542 27.9195607239 -16.9195607239 11 0.2 0.5417635668 0.1423902691 -15.27684608 -2.45183364 -1.95619559 -16.18296727 -2.81187553 -3.3774978 -1.34637912 -0.99259929 1.15679018 -0.47820794 -2.35931693 -1.63110287 0.7973552 6.88535153 7.19325049 1.158E-9 2.589E-9 5.789E-9 1.2939999999E-8 2.894E-8 6.472E-8 1.447E-7 3.2359999999E-7 7.2359999999E-7 0.000001618 0.000003618 0.0000080899999999 0.000018089999999 0.00004045 0.00009045 328-84-7 9481 144209170 AC Ac 1,2-Dichloro-4-(trifluoromethyl)benzene Clc1ccc(cc1Cl)C(F)(F)F Tox21_201972 -NCGC00259700-01 196721119 tox21-ror-cho-viability-p1 set3 4 15.0590877412 9.85626614 -5.35626614 4.5 2.4063783767 0.5669561978 0.1225224062 -5.95586416 -5.92283845 -3.0272409 -1.18685332 -2.34468689 -4.01364463 -12.79688845 -5.31199732 -9.65238214 -1.37494959 -4.85405096 -3.41301521 0.16958937 4.74590465 3.87068373 1.1609999999E-9 2.5959999999E-9 5.805E-9 1.298E-8 2.9019999999E-8 6.4899999999E-8 1.451E-7 3.245E-7 7.256E-7 0.000001622 0.000003628 0.000008112 0.00001814 0.00004056 0.0000907 759-73-9 12967 144209349 FNS 1-Ethyl-1-nitrosourea NC(=O)N(CC)N=O Tox21_202151 -NCGC00090962-05 196721903 tox21-ror-cho-viability-p1 set3 4 -6.26648871 1.51055841 -4.05246389 -0.35166978 -6.81239239 -5.31063031 -6.03603846 -3.82059802 -7.29485898 -2.3173657 -3.90367955 -4.22778609 -3.98711598 -2.70204375 -3.06840323 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00259057-01 196721908 tox21-ror-cho-viability-p1 set3 4 -7.33811255 -2.04815427 -3.83350248 1.2820658 -1.75655186 -1.99653888 -3.5598781 -4.51043002 -2.63780083 -0.97445014 1.3865266 -4.13528438 -10.60499092 1.64788424 -0.23978689 1.1689999999E-9 2.615E-9 5.8469999999E-9 1.3069999999E-8 2.9239999999E-8 6.537E-8 1.462E-7 3.269E-7 7.309E-7 0.0000016339999999 0.0000036549999999 0.000008172 0.00001827 0.00004086 0.000091359999999 98319-26-7 57363 144208704 A A Finasteride CC(C)(C)NC(=O)[C@H]4CC[C@@H]3[C@]4(C)CC[C@H]1[C@H]3CC[C@H]2NC(=O)C=C[C@]12C Tox21_201506 -NCGC00259369-01 196721914 tox21-ror-cho-viability-p1 set3 4 -7.69920179 -6.75920499 -5.44963018 -4.29945946 -5.84151744 -4.79269944 -3.52435492 -7.47073106 -7.06117302 -3.94242512 -3.1045881 -7.37827011 -7.59747131 1.76239551 0.61314162 1.203E-9 2.6889999999E-9 6.013E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003758 0.000008404 0.000018789999999 0.00004202 0.000093959999999 112-35-6 8178 144209018 A A 2-[2-(2-Methoxyethoxy)ethoxy]ethanol OCCOCCOCCOC Tox21_201820 -NCGC00258807-01 196721921 tox21-ror-cho-viability-p1 set3 4 24.4355457375 10.88592804 -7.88592804 3 4.9549173134 0.3579556951 0.3124509798 -10.06035052 -7.08870356 -3.13339358 -1.89089106 -6.63322248 -11.15314483 -6.94602721 -13.60096176 -16.5716067 1.92155676 -4.88629007 -12.03993401 -7.60860776 5.26009984 0.3527222 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.96E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 55-18-5 5921 144208453 I B N-Nitrosodiethylamine CCN(CC)N=O Tox21_201255 -NCGC00015155-11 196722306 tox21-ror-cho-viability-p1 set3 3 33.4914596268 43.8693631844 -9.4136066294 34.455756555 4.9549173134 0.8351200515 0.0034491417 -8.07155095 -13.06441913 -4.75817845 -6.43654888 -6.09951326 -9.48552522 -8.19062125 -10.27210371 -5.30943644 -8.90282676 -7.43431409 -10.73691773 -16.07914303 -17.83361133 32.07790178 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64706-54-3 2351 170465240 A Bepridil CC(C)COCC(CN(Cc1ccccc1)c2ccccc2)N3CCCC3 Tox21_110089_1 -NCGC00185990-04 196722309 tox21-ror-cho-viability-p1 set3 4 19.64026254 -1.85112202 3.29936064 4.80177769 1.51550724 4.41720036 7.6806691 6.25290069 -3.21520016 -5.81199082 4.46027076 -8.1986594 4.55013088 1.12261925 8.6448943 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 74103-07-4 6604122 170464659 A Ketorolac OCC(N)(CO)CO.O=C(O)[C@@H]1CCn2c(ccc12)C(=O)c3ccccc3 Tox21_110795_1 -NCGC00167468-02 196722319 tox21-ror-cho-viability-p1 set3 4 23.7101376556 11.96190986 -1.96190986 10 4.9549173134 0.5723262813 0.1186858741 -2.53672388 1.21973084 -0.72008954 -0.16803362 -3.07928304 -1.19233452 -3.25643748 -1.29265933 -6.30018037 -2.47193567 2.75851794 0.35664662 -7.05159155 2.27085573 9.2971547 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5003-48-5 21102 170466237 A Benorylate O=C(C)Oc2ccccc2C(=O)Oc1ccc(NC(C)=O)cc1 Tox21_112472_1 -NCGC00256787-01 196718219 tox21-ror-cho-viability-p1 set2 4 1.57425095 0.50081041 -0.47825836 2.33455465 0.35784406 3.58393711 -0.2441137 1.31537565 -1.25144371 0.55735792 0.38653781 4.90703916 6.86195341 2.220358 0.53843754 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55066-56-3 62092 144212960 A F 4-Methylphenyl 3-methylbutanoate O=C(Oc1ccc(C)cc1)CC(C)C Tox21_302643 -NCGC00256614-01 196718201 tox21-ror-cho-viability-p1 set2 4 61.130564862 10.7649064 -1.2649064 9.5 4.5044702849 0.7489323609 0.0204016385 0.57479337 -4.387422 -1.29737681 -2.73615089 -1.01374126 -1.82454096 -1.95387548 -0.7156344 -3.6956477 -1.38757246 0.34025577 0.53460035 -1.81436226 0.34669068 7.999069 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 540-72-7 516871 144213292 Sodium thiocyanate [Na+].[S-]C#N Tox21_302975 -NCGC00257635-01 196730567 tox21-ror-cho-viability-p1 set3 4 1.538654006 -8.261894772 3.5 -4.761894772 4.9549173134 0.6655611799 0.0555856092 1.31620798 5.12010953 4.46367549 4.3939958 4.74306767 1.5338831 4.37531562 0.20317987 5.01001009 -0.98088069 -7.28716162 0 -3.3833765 -10.63491231 -1.58466794 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.305E-7 7.3889999999E-7 0.0000016519999999 0.0000036949999999 0.000008262 0.000018469999999 0.00004131 0.00009237 3302-10-1 90960 144207279 A A 3,5,5-Trimethylhexanoic acid CC(CC(C)(C)C)CC(=O)O Tox21_200081 -NCGC00256985-01 196727718 tox21-ror-cho-viability-p1 set3 4 0 0 -1.34897572 -20.87570322 0 0 0 0 0 0 0 -20.35241301 -11.99850496 -7.93294654 -8.50942013 1.159E-9 2.591E-9 5.795E-9 1.2959999999E-8 2.8969999999E-8 6.479E-8 1.449E-7 3.239E-7 7.243E-7 0.00000162 0.000003622 0.000008098 0.000018109999999 0.00004049 0.00009054 7773-06-0 24482 144213380 F Ammonium sulfamate [NH4+].[O-]S(N)(=O)=O Tox21_303063 -NCGC00256843-01 196727314 tox21-ror-cho-viability-p1 set3 4 -0.35271535 2.19456163 3.03814485 -0.64154054 0.38135051 2.7642237 2.35241318 1.27117992 -0.58746872 -0.62784866 -0.26857711 -0.55365652 1.94031072 -0.78338008 1.94930814 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 5026-74-4 62558 144212963 A B 4-(Diglycidylamino)phenyl glycidyl ether c2cc(OCC1CO1)ccc2N(CC3CO3)CC4CO4 Tox21_302646 -NCGC00163774-04 196727318 tox21-ror-cho-viability-p1 set3 4 0.04748988 -19.44781174 -14.7302368 -11.77767326 0 -0.94373846 -21.10669497 -1.63415853 0 -0.95828566 -7.68426743 -3.16050017 2.26908762 -2.31659778 -2.5981558 1.2149999999E-9 2.7169999999E-9 6.075E-9 1.358E-8 3.038E-8 6.7919999999E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00257416-01 196727323 tox21-ror-cho-viability-p1 set3 4 -0.70440938 1.16671908 4.03798321 0.68971695 -1.97356937 0.97668284 2.10094869 -1.53485674 4.35496137 0.36500785 3.75323931 -2.08015031 0.18153216 1.19440794 0.4848568 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-62-3 31218 144213749 A Fns Bis(2-ethylhexyl) decanedioate O=C(CCCCCCCCC(=O)OCC(CC)CCCC)OCC(CCCC)CC Tox21_303439 -NCGC00257569-01 196702062 tox21-ror-cho-viability-p1 set1 4 54.7043727751 -13.9782771519 -0.5 -14.4782771519 3.1319983358 0.4436865429 0.2311433261 0.56692839 -0.25771401 -1.63852321 -0.045452 -2.38827021 -2.93763718 -4.36741294 -0.61996173 -1.87438342 0.26231511 -2.79894066 10.96890158 -2.15116447 -4.71066845 -12.06523096 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004136 0.00009247 3012-37-1 18170 144207213 F Benzyl thiocyanate N#CSCc1ccccc1 Tox21_200015 -NCGC00257595-01 196702051 tox21-ror-cho-viability-p1 set1 4 38.2571958381 19.8225907199 -2.3225907199 17.5 3.0654483358 0.4492905787 0.2247447138 -0.37275186 -0.79702521 -2.69632368 13.85492055 -8.33775159 -3.94868847 1.43281431 1.32405886 -2.59000954 -8.1535666 -9.0188256 -2.2106382 -7.82938455 12.07972784 14.79263313 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.551E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.000003662 0.0000081889999999 0.00001831 0.00004095 0.00009156 78-93-3 6569 144207239 FNS Methyl ethyl ketone CC(=O)CC Tox21_200041 -NCGC00090789-02 196702050 tox21-ror-cho-viability-p1 set1 4 -3.77004869 -1.45514231 -2.23227711 -4.04956425 -5.45678465 0.58788547 -10.47133294 -4.55025264 -4.32243594 -10.29207032 -1.28849039 -2.57649749 -0.88916687 -1.18671282 0.17183442 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00257804-01 196702055 tox21-ror-cho-viability-p1 set1 4 27.3337914917 14.7142572999 -1.7142572999 13 1.1340999999 0.7341771983 0.0248214716 -2.273541 -5.17854775 -0.03011805 0.05939269 2.25987787 -1.14197073 -3.83449004 -4.384163 -0.26404825 -0.24097416 0.12435676 -0.37401417 6.77048333 4.28207423 11.49981932 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.302E-7 7.3839999999E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.0000923 3234-28-4 18604 144207448 A Fns 1,2-Epoxytetradecane CCCCCCCCCCCCC1CO1 Tox21_200250 -NCGC00258059-01 196702065 tox21-ror-cho-viability-p1 set1 4 0.77112462 1.81329387 1.25154483 3.67806621 2.04477094 -0.11654461 4.14779358 3.92851841 -1.65123804 0.60806805 -0.0983318 0.0214487 4.90097982 1.05396044 3.21363781 1.198E-9 2.6779999999E-9 5.989E-9 1.339E-8 2.994E-8 6.6949999999E-8 1.497E-7 3.3479999999E-7 7.486E-7 0.0000016739999999 0.0000037429999999 0.0000083689999999 0.00001871 0.00004185 0.000093569999999 98-85-1 7409 144207703 A A alpha-Methylbenzyl alcohol CC(O)c1ccccc1 Tox21_200505 -NCGC00257709-01 196702067 tox21-ror-cho-viability-p1 set1 4 0.62810454 0.85089125 1.68723057 3.14516462 1.02190826 5.17969764 8.45127391 10.30407857 0 4.56828318 8.49055939 0.67408783 6.29176768 0.18646099 0.02934076 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.571E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008214 0.00001837 0.00004107 0.00009184 51-36-5 5811 144207353 A A 3,5-Dichlorobenzoic acid Clc1cc(cc(Cl)c1)C(=O)O Tox21_200155 -NCGC00257911-01 196702070 tox21-ror-cho-viability-p1 set1 4 -3.9954413 -6.35677735 -1.1353746 0.43717771 -7.66011873 -5.22713798 -1.8422998 -3.97421076 -2.31243629 -5.78912571 -5.09821491 -5.04537854 -9.53888908 -5.44619581 -0.51402497 1.243E-9 2.7789999999E-9 6.2139999999E-9 1.3899999999E-8 3.107E-8 6.948E-8 1.554E-7 3.4739999999E-7 7.768E-7 0.000001737 0.0000038839999999 0.000008685 0.00001942 0.00004342 0.000097099999999 75-35-4 6366 144207555 FNS 1,1-Dichloroethylene C=C(Cl)Cl Tox21_200357 -NCGC00258198-01 196702480 tox21-ror-cho-viability-p1 set1 4 27.444923243 6.732793512 -0.732793512 6 4.5044702849 0.3722345669 0.3006317894 -0.17035994 1.10597424 -3.66973506 1.1033961 -0.33079372 1.19563116 1.33933102 0.331704 -4.37522436 2.4450092 -9.36066126 -0.17688427 0.2975714 4.97997888 6.17992483 1.185E-9 2.6499999999E-9 5.9249999999E-9 1.325E-8 2.9629999999E-8 6.625E-8 1.481E-7 3.312E-7 7.406E-7 0.000001656 0.0000037029999999 0.000008281 0.00001852 0.0000414 0.00009258 79-04-9 6577 144207842 D Chloroacetyl chloride ClCC(Cl)=O Tox21_200644 -NCGC00258160-01 196702490 tox21-ror-cho-viability-p1 set1 4 -2.65974539 -1.36088195 -1.91728505 -0.38642124 -2.96064576 -0.50735798 0.09712026 -0.07286094 -0.78173206 0.6244843 0.92761711 -0.63314861 1.28238081 2.71028203 -1.51633899 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.9409999999E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.0000411 0.00009189 36443-80-8 10560335 144207804 A A 1-Benzyl-3-methylimidazolium chloride [Cl-].C[n+]2ccn(Cc1ccccc1)c2 Tox21_200606 -NCGC00090952-07 196702883 tox21-ror-cho-viability-p1 set1 4 4.48755749 -5.77391712 -5.76754216 -1.69285548 -10.96780733 -5.70619129 -17.64491296 -0.93942574 -0.34644295 -1.01418726 -8.98963878 -7.14939636 -11.82199282 -3.21063679 3.13756253 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00254157-01 196700004 tox21-ror-cho-viability-p1 set1 -1.2 13.6158713715 -44.8240662319 0.1240374699 -44.700028762 1.6266150999 0.9827131454 2.04E-8 1.08691546 -1.44817546 1.61008362 0.13702245 -1.27234831 0.306257 2.69899745 -2.7906465 -0.18423157 -0.49848016 -3.66143298 -12.73015625 -30.87718931 -34.54004337 -41.06062785 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.938E-8 6.568E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.000041049999999 0.0000918 75330-75-5 53232 144210588 A B Lovastatin C[C@@H](CC)C(=O)O[C@H]2C[C@@H](C)C=C3C=C[C@H](C)[C@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@@H]23 Tox21_300268 -NCGC00253928-01 196699600 tox21-ror-cho-viability-p1 set1 4 -3.03743274 0.84659504 0.11926678 -1.71006104 -2.87460667 -0.46604745 -0.94323894 -1.69451025 -3.67711925 -1.89616444 0.53923498 1.6844411 -3.04282324 -1.82609274 -2.55546934 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15307-79-6 5018304 144210585 A A Diclofenac sodium [Na+].Clc2cccc(Cl)c2Nc1ccccc1CC([O-])=O Tox21_300265 -NCGC00255021-01 196700000 tox21-ror-cho-viability-p1 set1 4 -1.18822344 -1.4369554 0.57186812 -1.40152267 0.23262851 -0.27361554 0.08017951 0.02264747 0.12458126 1.30791141 4.60299355 0.41039743 5.80693043 -0.98903273 1.50801677 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-48-0 7655 144211439 A A 2-Phenylethyl 2-methylpropanoate CC(C)C(=O)OCCc1ccccc1 Tox21_301122 -NCGC00256160-01 196700234 tox21-ror-cho-viability-p1 set1 4 76.8805649772 15.921651548 -0.921651548 15 4.9549173134 0.8466305131 0.0025535788 -1.76750756 -0.01802736 -1.94872814 -2.85137629 0.22915376 -2.48097924 -2.52175597 -1.45587468 -1.86010754 0.87969928 0.79994609 0.13038094 -0.04531292 -1.90852334 11.31723153 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 24168-70-5 520098 144212140 A A 2-sec-Butyl-3-methoxypyrazine COc1nccnc1C(C)CC Tox21_301823 -NCGC00254978-01 196699814 tox21-ror-cho-viability-p1 set1 -2.1 21.6899429044 -104.3528463089 -0.534840293 -104.8876866019 1.111 0.9869673717 0.002059238 2.50276926 -10.20016656 0.1541085 0.07584356 0.807377 0.4976928 2.07907455 -1.10769967 0.15180747 -9.05738717 -12.5993724 -57.82158989 -21.41253013 -69.97907737 -87.84563367 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 133-07-3 8607 144211394 A F Folpet ClC(Cl)(Cl)SN2C(=O)c1ccccc1C2=O Tox21_301077 -NCGC00091663-03 196699831 tox21-ror-cho-viability-p1 set1 4 0.69922877 0.73139927 0.87466221 0.0788539 4.23142668 1.2134852 4.6135737 -0.64862541 1.15210312 0.17398319 0.87171017 -0.55286674 -0.44544771 -0.36961231 -0.24039241 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00163919-02 196699833 tox21-ror-cho-viability-p1 set1 4 0.09030492 -1.47784246 2.23687375 0.00331557 1.24367436 1.26623114 2.27826573 2.7021741 -0.64425884 -0.40543898 -0.26509462 3.45981418 0.56114222 0.62708595 -0.43767065 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00255679-01 196700240 tox21-ror-cho-viability-p1 set1 4 1.98343215 1.15673129 -1.00139512 -0.33142796 3.6949802 -1.45199502 -1.26422762 1.4205711 2.30560172 0.35344013 0.62133842 0.96811286 0.00850763 0.78983663 0.39045701 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-96-5 7272 144212481 A I 3,6-Dimethyl-2,5-dioxo-1,4-dioxane CC1OC(=O)C(C)OC1=O Tox21_302164 -NCGC00256307-01 196700246 tox21-ror-cho-viability-p1 set1 4 27.3060203028 6.680519356 -0.680519356 6 4.9549173134 0.4344155013 0.2416687457 -1.42438331 -0.9659103 -5.98376613 -2.06204605 -0.4461709 5.71126137 1.88495873 0.36622137 0 -0.06402774 0.23036304 -2.9726339 -0.05884684 5.75164198 5.73155635 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15930-66-2 85192 144212094 A A 3-(Octyloxy)propan-1-amine NCCCOCCCCCCCC Tox21_301777 -NCGC00255741-01 196700250 tox21-ror-cho-viability-p1 set1 4 -0.15946165 -0.46791339 -4.99574571 1.39538645 -4.91451993 1.393589 -1.51601401 -0.42798611 0.18840172 1.9049796 0.56357799 1.10012582 1.23097374 0.32700127 2.90213321 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-51-0 31214 144211631 Fns Ethyl orthoformate CCOC(OCC)OCC Tox21_301314 -NCGC00256272-01 196700648 tox21-ror-cho-viability-p1 set1 -2.4 61.130564862 -36.984859216 2 -34.984859216 4.5044702849 0.8646215345 0.0014023752 0.08728727 7.10135314 -1.53046652 6.12552761 6.66921976 0.13899632 0.68260987 1.90374244 0.62318384 6.37061801 0.38263686 -2.77994096 -2.07057337 -2.78087233 -29.98738268 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66072-38-6 4320947 144211970 F F 2,2',2''-[Methanetriyltris(benzene-4,1-diyloxymethanediyl)]trioxirane c2cc(OCC1CO1)ccc2C(c4ccc(OCC3CO3)cc4)c6ccc(OCC5CO5)cc6 Tox21_301653 -NCGC00255917-01 196701066 tox21-ror-cho-viability-p1 set1 4 1.21691056 -0.65138702 -2.17752344 2.53180579 -0.4114504 0.3991038 0.04187706 -0.11185902 0.57054891 1.39930141 2.35482052 1.2843675 0.81727989 2.51389373 1.8676977 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 130-14-3 23661867 144211839 A A Sodium 1-naphthalenesulfonate [Na+].[O-]S(=O)(=O)c2cccc1ccccc12 Tox21_301522 -NCGC00259049-01 196721876 tox21-ror-cho-viability-p1 set3 4 0.3378280121 3.3954301199 -2.8954301199 0.5 4.9549173134 0.3662534422 0.3242751274 -5.58001071 -3.08946806 -0.58987448 0.38584032 -1.83673594 -6.5795251 -3.80430086 -1.86407729 3.05009194 4.8008161 -1.55200858 -2.23995312 -0.23568958 0.29280697 -7.28357173 1.163E-9 2.601E-9 5.816E-9 1.301E-8 2.908E-8 6.503E-8 1.454E-7 3.2509999999E-7 7.27E-7 0.0000016259999999 0.0000036349999999 0.000008129 0.00001818 0.00004064 0.00009088 20265-97-8 2734956 144208696 A A 4-Methoxyaniline hydrochloride Cl.Nc1ccc(OC)cc1 Tox21_201498 -NCGC00259524-01 196721864 tox21-ror-cho-viability-p1 set3 4 21.2495426428 14.1439180079 -1.6439180079 12.5 4.9549173134 0.6642860217 0.0560699104 -1.80753711 2.97428366 -9.28659834 -6.90859662 -2.61441108 0.04621001 -3.53383981 3.02705015 -0.21532064 -0.49111068 -1.46517233 2.58144724 1.82750324 14.43929081 10.4747316 1.16E-9 2.5929999999E-9 5.799E-9 1.297E-8 2.8989999999E-8 6.4829999999E-8 1.45E-7 3.2419999999E-7 7.2489999999E-7 0.000001621 0.000003624 0.0000081039999999 0.00001812 0.00004052 0.00009061 107-41-5 7870 144209173 A A 2-Methyl-2,4-pentanediol CC(O)CC(C)(C)O Tox21_201975 -NCGC00259518-01 196721868 tox21-ror-cho-viability-p1 set3 4 2.4386022597 -13.314183524 -1.5 -14.814183524 4.9549173134 0.6266986455 0.0785357216 0.08727183 -5.6574539 -3.19224891 -3.68648016 0.13404541 0.63302335 -1.54033444 -0.37829786 -0.58600919 -1.34620905 -14.66501794 -26.92848627 -15.85758028 -2.58646957 -13.60590466 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004128 0.00009231 35367-38-5 37123 144209167 A A Diflubenzuron Clc2ccc(NC(=O)NC(=O)c1c(F)cccc1F)cc2 Tox21_201969 -NCGC00255851-01 196728697 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -21.356276668 1.5 -19.856276668 3.6772481694 0.7605183041 0.0166373174 0.72506762 -2.1950357 -0.2659556 -0.47667862 2.81193745 1.20011315 3.26237121 2.09086282 5.98427522 5.63865682 1.95997163 0.04209378 -1.62514822 -0.77206235 -14.46356389 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1135-66-6 11127402 144212570 D F (-)-Isolongifolene CC2(C)C3=CCCC(C)(C)[C@]13C[C@@H]2CC1 Tox21_302253 -NCGC00255181-01 196728268 tox21-ror-cho-viability-p1 set3 -1.2 12.7858569419 -38.3154076528 0 -38.3154076528 1.8851180601 0.9541735211 0.0000052129 -2.97178198 4.37333269 0.14256922 -2.46780926 -0.60235218 0.66735496 0.81225192 -1.32370634 -0.27365491 0.04583443 -2.37400454 -7.83602359 -28.8381455 -35.08743004 -30.81970021 1.115E-9 2.493E-9 5.574E-9 1.246E-8 2.7869999999E-8 6.2319999999E-8 1.394E-7 3.1159999999E-7 6.9679999999E-7 0.000001558 0.000003484 0.00000779 0.00001742 0.00003895 0.000087099999999 134523-00-5 60823 144212734 A A Atorvastatin O[C@H](CCn1c(c(c(c1C(C)C)C(=O)Nc2ccccc2)c3ccccc3)c4ccc(F)cc4)C[C@@H](O)CC(=O)O Tox21_302417 -NCGC00255366-01 196728696 tox21-ror-cho-viability-p1 set3 4 6.8589621897 7.6029052919 -1.6029052919 6 4.9549173134 0.3783472281 0.29326704 -3.25778316 1.34155298 2.39916061 2.06614523 1.43174827 2.55749729 -8.83575441 -1.92870964 -7.2839119 3.23442014 -8.22062664 5.89053941 4.62678374 7.55469288 4.60020038 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1118-92-9 14240 144212247 A A N,N-Dimethyloctanamide CN(C)C(=O)CCCCCCC Tox21_301930 -NCGC00256247-01 196729104 tox21-ror-cho-viability-p1 set3 4 2.39342384 -9.32265849 -0.98504616 -1.3643274 -2.57360716 -7.07551674 -3.54042669 1.81062619 -7.25341651 6.13455565 -8.18343808 2.73823919 -3.48887116 8.44865582 1.40457591 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17945-05-0 87367 144212111 F A Ethyl [3-(triethoxysilyl)propyl]carbamate CCO[Si](OCC)(OCC)CCCNC(=O)OCC Tox21_301794 -NCGC00256302-01 196729107 tox21-ror-cho-viability-p1 set3 4 2.165228 5.35158278 -1.26914454 1.60245732 -2.40388855 0.81850697 -0.74334116 4.76723616 -6.47614183 3.60039765 -2.19818294 8.53856196 9.27990978 -5.46586972 0.29799921 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 32329-20-7 2763760 144211558 A A 3-Methyl-3,4-dihydro-2H-1,4-benzoxazine CC1Nc2ccccc2OC1 Tox21_301241 -NCGC00255239-01 196729108 tox21-ror-cho-viability-p1 set3 -2.1 27.8821873599 -87.6931235779 2.090395928 -85.6027276499 1.2221 0.9605624987 0.0000022637 2.78659123 4.24548947 -1.2355769 3.30871302 -0.47798918 1.96910911 1.5732471 1.47838845 2.68544781 -0.65904921 0.96558488 -11.54062645 -24.86370088 -29.55251503 -64.85055125 7.4319999999E-10 1.662E-9 3.716E-9 8.31E-9 1.8579999999E-8 4.1549999999E-8 9.2899999999E-8 2.077E-7 4.645E-7 0.000001039 0.000002323 0.0000051929999999 0.000011609999999 0.000025969999999 0.000058059999999 1937-37-7 5359662 144212659 FNS C.I. Direct Black 38 [Na+].[Na+].Nc6ccc(/N=N/c1ccc(cc1)c2ccc(cc2)/N=N/c5c(cc4cc(c(/N=N/c3ccccc3)c(O)c4c5N)S([O-])(=O)=O)S([O-])(=O)=O)c(N)c6 Tox21_302342 -NCGC00066947-05 196729114 tox21-ror-cho-viability-p1 set3 4 38.5707788719 -7.6836099879 -1 -8.6836099879 2.1876167061 0.4254702163 0.251049161 -3.33215268 -3.39976749 -0.62105504 -3.76279449 -3.40525164 0.40076579 -1.12976231 1.2958683 -1.03817003 4.91692146 -2.31767524 -0.1448001 -3.11179488 -4.28757603 -8.06967499 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00255537-01 196729118 tox21-ror-cho-viability-p1 set3 4 2.30814056 -2.15985043 0.01894761 2.16667382 -0.17634092 -0.14446388 2.77325342 2.28965402 1.84278712 3.98805615 3.57903321 2.33123614 -3.57585203 -1.83564203 -5.48539658 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-27-7 8385 144212516 A A 2,4-Dinitroanisole COc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O Tox21_302199 -NCGC00258712-01 196729535 tox21-ror-cho-viability-p1 set3 4 0.01576309 0.11146123 0.04262109 -0.2947656 2.18958338 1.04925276 0.29795913 0.46092371 0.92342062 2.89402199 -1.45752534 0.0000803 -0.80271984 2.68798695 0.20191374 1.171E-9 2.618E-9 5.8529999999E-9 1.3089999999E-8 2.927E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.316E-7 0.0000016359999999 0.000003658 0.00000818 0.00001829 0.0000409 0.00009146 51481-61-9 2756 144208358 A A Cimetidine N#C\N=C(/NC)NCCSCc1ncnc1C Tox21_201160 -NCGC00258385-01 196729511 tox21-ror-cho-viability-p1 set3 4 0.0769588215 -17.5918719479 17.5 -0.0918719479 1.21 0.9018778489 0.0002939217 16.10211863 17.15381586 21.48600809 10.9402464 15.23471911 7.71330481 9.27226903 -0.21234634 0.2968846 0.07690761 -0.90989329 -0.44787244 -0.46549944 1.456974 2.04962658 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.299E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.00001844 0.00004124 0.00009222 26675-46-7 3763 144208029 A Isoflurane FC(F)(F)C(Cl)OC(F)F Tox21_200831 -NCGC00258267-01 196729524 tox21-ror-cho-viability-p1 set3 4 2.63667704 2.63407647 0.90528573 8.3601677 6.35243825 3.27890088 3.5352329 4.96405789 5.50938392 7.04429119 5.60611237 6.58331325 7.50915739 4.97286215 -1.30837749 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003673 0.0000082119999999 0.000018359999999 0.00004106 0.000091819999999 534-15-6 10795 144207911 FC 1,1-Dimethoxyethane CC(OC)OC Tox21_200713 -NCGC00260172-01 196711545 tox21-ror-cho-viability-p1 set2 -3 2.4287026602 -57.589119292 -2.5747249639 -60.1638442559 4.9549173134 0.9905122955 5.308E-7 -4.18506042 -2.56824004 -5.01728912 -1.69326379 -1.58794247 -4.15012722 -1.34366378 -2.3557361 -0.91272604 -8.34777335 -55.7072632 -28.88922624 -12.3765892 -9.81276237 -22.56439708 1.1779999999E-9 2.634E-9 5.891E-9 1.3169999999E-8 2.945E-8 6.586E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.0000036819999999 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009204 362043-46-7 10044526 144209822 A A 1-Decyl-3-methylimidazolium hexafluorophosphate F[P-](F)(F)(F)(F)F.C[n+]1ccn(CCCCCCCCCC)c1 Tox21_202624 -NCGC00255548-01 196711147 tox21-ror-cho-viability-p1 set2 4 0.28576929 2.2011766 -0.54244169 1.26317812 0.85864626 1.72200199 1.21528297 0.30851915 -1.09466157 2.01235683 1.63734255 0.64185463 -0.31692127 0.22650839 1.87908929 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 116-02-9 8298 144211817 C I 3,3,5-Trimethylcyclohexanol CC1(C)CC(C)CC(O)C1 Tox21_301500 -NCGC00357102-01 196711563 tox21-ror-cho-viability-p1 set2 4 1.18343389 0.1781425 -5.55686199 -5.81405033 -1.21320458 -6.54982568 -33.43846577 -14.67191075 0 -15.10750042 -7.62341933 0 0 -6.64155411 -15.99994486 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-10-8 6916 251919966 F Diethylcarbamoyl chloride CCN(CC)C(Cl)=O Tox21_303825 -NCGC00260120-01 196711961 tox21-ror-cho-viability-p1 set2 4 0.084126743 -5.6659401959 -1 -6.6659401959 4.9549173134 0.3574502255 0.313801974 1.81754204 -0.05604589 -2.9517087 -4.05949108 -0.60563713 -0.16609079 -2.69740975 -12.22161683 -3.57553348 -2.76707835 -5.50510186 -8.59281041 -9.84792178 1.71477822 -11.67842214 5.8989999999E-10 1.319E-9 2.95E-9 6.596E-9 1.4749999999E-8 3.298E-8 7.374E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001844 0.000004122 0.0000092179999999 0.000020609999999 0.00004609 70321-86-7 112412 144209769 Fc 2-(2H-Benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)phenol CC(C)(c1ccccc1)c2cc(c(O)c(c2)C(C)(C)c3ccccc3)n4nc5ccccc5n4 Tox21_202571 -NCGC00260027-01 196711973 tox21-ror-cho-viability-p1 set2 4 -0.8354459 -3.27136744 -20.32466341 -9.37018024 -13.98224887 -14.72838022 -5.89519563 -19.51442423 -1.89303417 -8.85015149 -7.59998139 0 -10.06088267 -5.74666074 -4.30357214 1.212E-9 2.71E-9 6.059E-9 1.3549999999E-8 3.03E-8 6.775E-8 1.515E-7 3.387E-7 7.5739999999E-7 0.0000016939999999 0.000003787 0.000008468 0.00001894 0.00004234 0.00009468 619-66-9 12088 144209676 A A 4-Carboxybenzaldehyde OC(=O)c1ccc(C=O)cc1 Tox21_202478 -NCGC00260609-01 196711976 tox21-ror-cho-viability-p1 set2 -3 33.4914596268 -34.273196072 -2 -36.273196072 4.9549173134 0.7792015548 0.5117208551 -0.04488505 -52.60285507 -0.27802681 -0.57276449 -0.22219219 -0.3886585 -7.51620582 -0.69177058 -5.61296304 1.21098281 -12.84259075 -0.83662506 1.50265607 0.15979569 -31.89433006 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49505 144210262 M M NTP Mix12 AR1 8-EQC Tox21_203064 -NCGC00260550-01 196711980 tox21-ror-cho-viability-p1 set2 -3 13.3331902297 -40.549718304 -4.506214788 -45.055933092 3.9899729863 0.6502359474 0.0753704352 -5.3082096 -19.5867869 -18.49929677 -11.13513631 -7.76183833 0 0 0 0 0 -0.95883814 0 0 -50.06214788 12.4774149 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49446 144210203 M M NTP Mix58 CT1 62-EQP Tox21_203005 -NCGC00260498-01 196711982 tox21-ror-cho-viability-p1 set2 4 48.0150530903 21.835202052 2.164797948 24 0.7999999999 0.6078156214 0.0915862767 -0.38412642 -1.94600171 0.09284863 -1.62485574 3.08630409 6.7723774 7.26817936 10.6466966 4.13138465 3.98236602 1.2434979 4.8636821 6.76176017 13.5199554 18.54728911 1.1689999999E-9 2.6129999999E-9 5.844E-9 1.3069999999E-8 2.922E-8 6.5339999999E-8 1.461E-7 3.267E-7 7.305E-7 0.0000016329999999 0.000003652 0.000008167 0.00001826 0.000040829999999 0.000091309999999 938-85-2 70315 144210150 F Fns 1-Methylguanine N=C2Nc1ncnc1C(=O)N2C Tox21_202952 -NCGC00256715-01 196708252 tox21-ror-cho-viability-p1 set1 4 -10.12699863 -5.17036716 -10.14919529 -13.67681681 -13.12903766 -11.83726998 -0.22571592 -13.64184352 -16.30607563 -13.34062441 -20.64689042 -11.20820558 -11.89299492 -11.66045528 -9.49013106 1.226E-9 2.742E-9 6.131E-9 1.371E-8 3.065E-8 6.854E-8 1.5329999999E-7 3.4269999999E-7 7.663E-7 0.0000017139999999 0.000003832 0.000008568 0.00001916 0.00004284 0.00009579 41395-83-9 38855 144213927 A Bc Propylene glycol dipelargonate CC(COC(=O)CCCCCCCC)OC(=O)CCCCCCCC Tox21_303622 -NCGC00256361-01 196707847 tox21-ror-cho-viability-p1 set1 4 -8.37718277 -6.79466293 1.94632902 -9.97206349 1.19279814 -0.96651478 -1.9615523 -0.78940355 -1.93505685 -9.77944683 -11.51114905 1.13126621 -7.36469988 -13.47006312 -13.37881217 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52214-84-3 2763 144213157 A A Ciprofibrate ClC2(Cl)CC2c1ccc(OC(C)(C)C(=O)O)cc1 Tox21_302840 -NCGC00257091-01 196708240 tox21-ror-cho-viability-p1 set1 4 7.44096717 1.64829174 1.6467437 1.08368501 2.33739737 -0.83789427 1.20636796 7.06961459 3.08061522 -0.25384387 2.68054121 9.47359045 2.2762611 -0.57921984 12.85345306 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 541-05-9 10914 144213550 Fns Hexamethylcyclotrisiloxane C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1 Tox21_303233 -NCGC00256622-01 196708248 tox21-ror-cho-viability-p1 set1 4 -1.17838509 -5.43864418 -7.7239288 -0.57907458 -5.43761756 -0.60263776 -0.99874826 -1.38737146 -5.24221885 -7.11064357 0.87446955 -5.15192778 4.82851684 -8.35320658 -13.32840696 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-78-7 5365976 144212780 A A Allyl Ionone CC1(C)CCC=C(C)C1/C=C/C(=O)CCC=C Tox21_302463 -NCGC00259823-01 196708679 tox21-ror-cho-viability-p1 set2 4 1.05105279 4.65180436 -0.55294358 3.82602926 1.37381062 -0.485978 -0.30414395 -2.323166 -0.48302451 0.07760554 -2.21962504 -1.82629752 0.53163369 -0.98550352 4.39685071 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.569E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003672 0.0000082119999999 0.000018359999999 0.00004106 0.00009181 2416-94-6 17016 144209472 A A 2,3,6-Trimethylphenol Cc1ccc(C)c(O)c1C Tox21_202274 -NCGC00091830-04 196709731 tox21-ror-cho-viability-p1 set2 4 7.2182985 1.86168657 4.95296231 1.35496489 2.61650561 2.09697666 1.91825724 -0.88710103 1.35464404 3.94710863 3.70272539 2.99619799 -0.84130023 2.62000417 1.00427381 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00258858-01 196708911 tox21-ror-cho-viability-p1 set2 4 12.1971512362 8.5408887799 -1.5408887799 7 0.7999999999 0.5123965733 0.1871618623 -1.23008657 -0.13798929 -1.24961751 -7.95074065 0.0347902 0.22821893 -1.37893143 0.29723367 -0.02398124 0.33909423 0.13151996 0.51479871 4.31428258 4.95288337 1.07483411 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041219999999 0.00009218 115-95-7 8294 144208504 A Ac Linalyl acetate O=C(C)OC(C)(CC\C=C(\C)C)C=C Tox21_201306 -NCGC00259331-01 196709311 tox21-ror-cho-viability-p1 set2 4 -0.68393252 -7.01239519 -4.16383891 -4.02532262 -0.18688917 0.53004191 -1.0534865 -0.2192343 -0.65598745 -1.95194044 -0.43180612 -1.16164541 -0.61650697 0.57780715 0.33089198 1.214E-9 2.715E-9 6.0709999999E-9 1.357E-8 3.035E-8 6.787E-8 1.518E-7 3.394E-7 7.588E-7 0.000001697 0.000003794 0.000008484 0.00001897 0.00004242 0.000094849999999 61-82-5 1639 144208980 A A Amitrole Nc1ncnn1 Tox21_201782 -NCGC00258982-01 196709312 tox21-ror-cho-viability-p1 set2 4 1.02380368 -0.37368501 1.56921651 -3.77453336 1.45979845 2.30312818 0.73493724 0.12939771 3.02163539 0.76820851 1.7255296 0.29397112 3.54563549 2.55684536 3.7010721 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.954E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3839999999E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.0000923 26761-40-0 22833326 144208629 A F Diisodecyl phthalate CC(C)(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)(C)C Tox21_201431 -NCGC00259252-01 196709733 tox21-ror-cho-viability-p1 set2 4 67.4055501551 -15.712349904 1 -14.712349904 4.9549173134 0.8364203897 0.0034034399 1.34527633 -1.7587097 1.53978931 2.70983379 0.29835253 0.37798962 -0.71836691 1.12915014 3.51678096 -0.23801572 0.01844748 0.82200925 3.48511346 -0.09698329 -11.84362492 1.163E-9 2.601E-9 5.8149999999E-9 1.2999999999E-8 2.908E-8 6.502E-8 1.454E-7 3.2509999999E-7 7.269E-7 0.000001625 0.000003634 0.000008127 0.00001817 0.00004063 0.00009086 86-74-8 6854 144208901 A A Carbazole c1cccc2nc3ccccc3c12 Tox21_201703 -NCGC00244580-01 196710140 tox21-ror-cho-viability-p1 set2 4 61.130564862 -12.683820568 1.5 -11.183820568 3.1924983358 0.8088506259 0.0067760002 4.07875777 3.76988402 2.27005516 -0.13409102 2.89879391 0.69319674 0.32203104 0.02621342 0.79344326 2.85000992 1.29700482 1.0816354 1.07835428 -1.38432607 -8.48651714 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00255889-01 196710141 tox21-ror-cho-viability-p1 set2 4 3.75071296 2.80948912 4.55986797 2.05028788 4.30222992 1.88306813 2.93821621 -0.93147127 -0.16110132 3.26543429 1.32800999 1.93834291 2.77313139 -0.3654351 4.32030599 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 591-80-0 61138 144212386 Ac 4-Pentenoic acid C=CCCC(=O)O Tox21_302069 -NCGC00256433-01 196708087 tox21-ror-cho-viability-p1 set1 4 -7.4261414 -6.28442523 -8.21110109 -0.29519191 1.23191056 -6.21225594 -5.14634907 -5.73649313 -16.95730739 1.93559692 -8.7377816 -3.57054666 1.04784459 -7.67677914 -4.98747206 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-53-9 8400 144213107 A A Benzoin OC(C(=O)c1ccccc1)c2ccccc2 Tox21_302790 -NCGC00257257-01 196707271 tox21-ror-cho-viability-p1 set1 -1.2 19.3311819617 -35.520703538 -1.007069294 -36.527772832 2.1210667061 0.9025951813 0.0002823321 -5.78736665 -2.4426494 0.2890569 -9.01346745 0.1842677 2.25702843 5.46421558 -1.85235024 -3.86196513 2.6814079 1.85573235 -9.78136565 -16.84282183 -31.6839941 -34.60647736 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 686756-87-6 10345790 144213718 A A PharmaGSID_48519 Brc1ccccc1N2Cc3cnc(nc3N(C)C2=O)Nc4ccc5OC(COc5c4)CO Tox21_303407 -NCGC00257431-01 196707688 tox21-ror-cho-viability-p1 set1 4 6.49417116 0.59508723 -1.83143143 1.05075936 1.8232152 0.4280274 -1.54706421 0.53733872 1.72160962 2.0795502 -0.28864248 3.38528397 3.56883865 1.68436807 2.53490672 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-99-7 8348 144213750 A A 2-Hydroxybenzophenone O=C(c1ccccc1O)c2ccccc2 Tox21_303440 -NCGC00090986-03 196707690 tox21-ror-cho-viability-p1 set1 -2.4 10.9370859936 -24.8851689041 -3.0135880719 -27.898756976 0.3 0.7987589559 0.0082081653 -6.14766011 -3.77168919 -7.31782351 -2.92799006 -4.31633004 -4.22652531 -12.92145464 -13.81017778 -10.20682919 -11.55567021 -12.15933838 -11.79449704 -15.51020169 -18.94678075 -21.58229748 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.000041429999999 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00163724-03 196708104 tox21-ror-cho-viability-p1 set1 4 -11.34126052 -6.49963908 -7.52797306 -5.96835541 -6.85285951 -3.0619914 -2.5404104 -12.21858835 -8.26832844 -7.827043 -2.62529958 -11.60125207 -13.69800054 -8.82070812 -17.49850319 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00255734-01 196728863 tox21-ror-cho-viability-p1 set3 4 -2.66959053 -2.37057438 5.19268195 4.54953167 3.34521704 -1.4322642 4.67447589 0.97128192 1.29605154 -0.38132694 4.77850419 -0.32145622 -0.97811111 1.68659022 -1.05556781 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1918-11-2 15967 144212527 A A Terbucarb O=C(Oc1c(cc(C)cc1C(C)(C)C)C(C)(C)C)NC Tox21_302210 -NCGC00256234-01 196728457 tox21-ror-cho-viability-p1 set3 -3 27.0285678219 -81.8893071134 10.420476223 -71.4688308904 4.9549173134 0.8393822361 0.0046118662 0.95231057 22.93807769 9.04953987 12.47654599 3.20759814 5.77078806 -0.67608947 6.61811266 14.49390474 6.6478921 9.20967829 18.45162035 20.53117672 -81.26668454 -51.1733565 1.1699999999E-9 2.617E-9 5.851E-9 1.3079999999E-8 2.926E-8 6.542E-8 1.463E-7 3.271E-7 7.314E-7 0.0000016359999999 0.000003657 0.000008178 0.00001829 0.000040889999999 0.00009143 3031-66-1 18198 144212053 Bc F Hex-3-yne-2,5-diol CC(O)C#CC(C)O Tox21_301736 -NCGC00255663-01 196728462 tox21-ror-cho-viability-p1 set3 1.2 7.6958821542 42.0684932469 -2.5237597519 39.544733495 3.9899729863 0.9123132995 0.0001655388 -3.02683774 -0.70350206 -0.95291775 0.65310003 -16.24547661 1.43733377 -11.48056426 3.10664776 -0.18133438 4.76736871 -3.08964985 22.50367466 41.10858429 36.7930827 39.78799804 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6164-98-3 22544 144211893 A A Chlordimeform Clc1cc(C)c(/N=C/N(C)C)cc1 Tox21_301576 -NCGC00255269-01 196728864 tox21-ror-cho-viability-p1 set3 4 13.6854287769 -7.1947008399 3.5 -3.6947008399 1.3437170999 0.3696817416 0.3030122053 -0.57821698 -2.66101335 6.69018982 6.51875598 1.95181582 0.97974372 7.72165073 7.68744753 2.71194378 2.70357998 2.58195269 -0.08793569 1.16645222 -3.9122507 -2.71460371 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 83-43-2 6741 144212335 A A Methylprednisolone OCC(=O)[C@@]4(O)CC[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3C[C@H](C)C1=CC(=O)C=C[C@@]12C Tox21_302018 -NCGC00255224-01 196728865 tox21-ror-cho-viability-p1 set3 4 1.06934896 0.25920532 -0.27318206 -4.82433687 0.80970028 -0.23191424 -1.37292145 -1.62273039 -0.51985757 -2.98965203 -3.77044811 -7.15048184 1.28528673 0.53069739 0.63599545 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24448-94-0 90509 144211554 A A 5,5-Dimethylbarbituric acid CC1(C)C(=O)NC(=O)NC1=O Tox21_301237 -NCGC00090750-04 196728866 tox21-ror-cho-viability-p1 set3 4 0.001554288 21.9404801 -21.4404801 0.5 4.9549173134 0.5236619568 0.1577169215 -17.86706675 3.11480428 -1.76920891 5.36696089 -2.14089443 2.285924 -1.5043169 8.92398217 7.58089814 0.96895304 0.66137627 -5.51092925 -2.40832628 -6.31899543 -1.90399152 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00255925-01 196728867 tox21-ror-cho-viability-p1 set3 4 1.76228468 2.73753405 -7.49377635 6.87110071 4.62393153 4.76085242 10.63141091 10.85636946 10.69711102 6.16574075 2.51193356 3.42829632 5.67635084 -0.35586138 -0.19116237 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 145-39-1 67350 144212255 A A 1-tert-Butyl-3,4,5-trimethyl-2,6-dinitrobenzene O=[N+]([O-])c1c(C)c(C)c(C)c(c1C(C)(C)C)[N+]([O-])=O Tox21_301938 -NCGC00257827-01 196729988 tox21-ror-cho-viability-p1 set3 -3 71.3188689078 -60.9698479074 -0.28771737 -61.2575652774 4.9549173134 0.8667408486 0.0012989425 3.06468462 -4.50775554 1.44798018 0.57488024 3.06958221 1.65043758 1.35510547 0.31056142 2.36778396 -7.26726703 1.62211516 -14.83881667 1.29957595 -0.49546672 -49.80759149 1.219E-9 2.726E-9 6.097E-9 1.3629999999E-8 3.048E-8 6.816E-8 1.524E-7 3.408E-7 7.621E-7 0.000001704 0.00000381 0.00000852 0.00001905 0.0000426 0.00009526 105-11-3 7737 144207471 A A p-Benzoquinone dioxime O\N=C1/C=C/C(=N\O)C=C1 Tox21_200273 -NCGC00255800-01 196729147 tox21-ror-cho-viability-p1 set3 4 1.69530998 6.31945406 -2.38858246 -1.5151728 -0.83913507 -1.94978058 0.1009703 -1.25930287 0.97622992 0.04935683 1.53541705 -3.37792253 0.19554583 -2.64940132 0.98204388 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3731-52-0 31018 144212391 F F 3-(Aminomethyl)pyridine NCc1cccnc1 Tox21_302074 -NCGC00255317-01 196729154 tox21-ror-cho-viability-p1 set3 -2.2 38.5707788719 -46.4942189872 -0.039601536 -46.5338205232 2.3331733767 0.8707075383 0.0011263414 1.18145127 4.64886115 -3.80936113 1.30252138 -4.30300824 -5.91167047 5.2188786 -7.53884989 0.28662234 -4.70358419 5.12134486 1.93093905 -0.41952166 -28.96587412 -40.17713676 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2871-01-4 3465817 144212733 A A HC Red 3 [O-][N+](=O)c1cc(N)ccc1NCCO Tox21_302416 -NCGC00257644-01 196729987 tox21-ror-cho-viability-p1 set3 4 3.95339094 -0.08284437 4.67595121 0.92254869 3.95583629 -0.35536206 0.49903581 0.49183691 7.69372761 3.98177986 1.48903066 5.70249949 6.07522336 4.38201141 8.64228649 1.175E-9 2.628E-9 5.877E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.346E-7 0.000001643 0.000003673 0.0000082129999999 0.000018359999999 0.00004107 0.000091819999999 645-09-0 12576 144207288 A A 3-Nitrobenzamide O=[N+]([O-])c1cc(ccc1)C(N)=O Tox21_200090 -NCGC00258502-01 196729990 tox21-ror-cho-viability-p1 set3 4 -3.00104477 -9.58003385 -0.03321017 -13.81815379 0 -13.63047488 0 0 0 0 0 -2.94740115 -1.29086214 -2.33160187 -3.6900303 1.1449999999E-9 2.56E-9 5.725E-9 1.28E-8 2.8619999999E-8 6.4009999999E-8 1.431E-7 3.2E-7 7.156E-7 0.0000016 0.000003578 0.0000080009999999 0.00001789 0.000039999999999 0.000089449999999 515-40-2 68191 144208147 A A (1-Chloro-2-methylpropan-2-yl)benzene ClCC(C)(C)c1ccccc1 Tox21_200949 -NCGC00274077-01 196698605 tox21-ror-cho-viability-p1 set1 4 0.13901968 1.30263515 0.63375869 1.13882446 1.60442339 -0.39729616 -0.03674422 0.04188904 -0.24001937 -0.23809254 0.45766444 0.86589437 0.87059187 0.02282644 2.97786922 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13609-67-1 26133 170465456 I Hydrocortisone 17-butyrate OCC(=O)[C@@]4(OC(=O)CCC)CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_111397_1 -NCGC00166247-02 196698198 tox21-ror-cho-viability-p1 set1 -1.1 11.8832183006 -80.6165414171 -2.443072065 -83.0596134821 2.9022712143 0.9855417816 7.2E-9 -5.2430675 -3.72871164 -3.14532865 -4.46418574 2.64362846 -4.81364653 -6.70080487 2.29771969 -5.82348934 0.21579814 2.99972704 -5.85309465 -28.8676658 -70.26795862 -81.43099361 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 605-91-4 5709754 170466074 A Carbocyanine [I-].CC[n+]3c4ccccc4ccc3C=CC=C2C=Cc1ccccc1N2CC Tox21_112373_1 -NCGC00182995-01 196698593 tox21-ror-cho-viability-p1 set1 4 0.37190218 4.85987248 3.87960823 0.49818035 -0.25564314 0.55205896 0.55696586 2.49854205 1.39896821 0.84559141 0.68556766 1.44538206 -0.94865769 -1.10924398 2.43123459 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21590-92-1 3309 144206828 A A Etomidoline O=C4c1ccccc1C(Nc3ccc(OCCN2CCCCC2)cc3)N4CC Tox21_113277 -NCGC00015611-18 196698602 tox21-ror-cho-viability-p1 set1 4 -5.15888282 -0.32727071 -1.45313998 -2.75157604 -4.13493523 2.52915252 -2.51662284 1.31955731 2.09228199 0.50659504 1.00742886 -3.77100802 -4.692481 -1.18551892 0.63787439 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 137-58-6 3676 170464729 A Lidocaine O=C(Nc1c(C)cccc1C)CN(CC)CC Tox21_110183_1 -NCGC00090964-04 196698611 tox21-ror-cho-viability-p1 set1 4 0.7695882154 10.6878437519 -3.1878437519 7.5 0.6999999999 0.7942947355 0.0091086267 -1.8569285 -4.33156634 -6.40653646 -0.94433073 -0.39729279 -5.06815442 -2.01642516 -3.33859224 -1.04646039 0.45456945 -0.47050626 3.45450634 3.90025436 3.53119485 6.68623778 1.1799999999E-10 2.638E-10 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 112-57-2 8197 170464940 Z Tetraethylenepentamine NCCNCCNCCNCCN Tox21_111047_1 -NCGC00253953-01 196699015 tox21-ror-cho-viability-p1 set1 4 -2.99782842 1.20853934 -0.47543147 -2.45258207 -0.61746948 1.39581879 -1.49750822 0.25416158 -1.75767638 -1.41069229 3.57360738 2.09762206 0.7774221 -0.30437984 -0.43321929 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-83-2 8449 144210360 A A 2,4-Dichlorophenol Clc1cc(Cl)c(O)cc1 Tox21_300040 -NCGC00186658-01 196722692 tox21-ror-cho-viability-p1 set3 1.4 16.7854920005 22.5385904201 1.4614095799 24 1.9673362061 0.7780167691 0.0122302156 1.69691406 -1.13320517 3.15228789 3.26237393 -1.38570691 3.74988512 2.58605383 2.9081794 -1.69882535 4.13762157 -1.42215031 9.66968324 0.32832434 18.42659064 22.23686922 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 81-13-0 131204 170464647 A Dexpanthenol CC(C)(CO)[C@@H](O)C(=O)NCCCO Tox21_111563_1 -NCGC00260000-01 196722292 tox21-ror-cho-viability-p1 set3 4 23.990442614 9.45842288 -6.95842288 2.5 4.9549173134 0.5082079501 0.1719574873 -9.33524061 -7.45553828 -1.37087623 -2.00667386 -3.26645826 -5.74959041 -8.70956146 -8.27316455 -12.4653524 -8.66378854 -12.04503469 -5.93385943 -4.85470635 2.47608114 1.78700432 1.166E-9 2.608E-9 5.831E-9 1.304E-8 2.9149999999E-8 6.5189999999E-8 1.458E-7 3.26E-7 7.288E-7 0.0000016299999999 0.0000036439999999 0.000008149 0.00001822 0.00004074 0.00009111 693-13-0 12734 144209649 AC Bc Diisopropylcarbodiimide CC(C)/N=C=N/C(C)C Tox21_202451 -NCGC00259158-01 196722299 tox21-ror-cho-viability-p1 set3 4 27.2782538257 13.696850452 -11.803980524 1.892869928 0.7999999999 0.4553971361 0.2199742965 -19.41998377 -11.63323752 -8.37871933 -3.02670352 -13.00165182 -13.45546608 -13.14022626 -13.43674352 -8.83449938 -9.37753605 -7.64769429 -10.76181936 -4.99270832 -5.53577339 -0.08927506 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 50892-23-4 5694 144208807 A A Pirinixic acid Cc2cccc(Nc1cc(Cl)nc(SCC(=O)O)n1)c2C Tox21_201609 -NCGC00259890-01 196722300 tox21-ror-cho-viability-p1 set3 4 -3.63980284 -5.36670732 0.65190967 4.24463248 -3.27409061 -3.30280917 -4.45031375 -5.57932958 -4.84403487 -5.47030152 -4.9967584 -5.57379281 -5.15199141 -1.79896625 -1.91152538 1.1859999999E-9 2.653E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001854 0.00004145 0.00009268 99-30-9 7430 144209539 A A Dicloran Clc1cc(cc(Cl)c1N)[N+]([O-])=O Tox21_202341 -NCGC00091070-02 196722696 tox21-ror-cho-viability-p1 set3 4 37.5780357627 31.397065888 2.602934112 34 0.7999999999 0.5061874314 0.1728309845 4.45755944 3.84898341 -2.83088824 -2.51805782 16.1258773 2.73859663 4.25417363 1.73203067 4.13522133 7.94129097 5.0840997 7.46592044 2.85772623 11.81268856 25.73600465 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 108-18-9 7912 170466002 F Diisopropylamine CC(C)NC(C)C Tox21_111075_1 -NCGC00253567-01 196722700 tox21-ror-cho-viability-p1 set3 4 -0.70858856 -1.06569827 0.59055858 0.44851643 -0.19220298 -5.79527952 -2.08962895 -2.54025823 -2.83318526 -6.87531394 7.8109351 -10.33757345 -2.34426386 6.62696986 -3.85520602 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 115-44-6 8275 170465408 A A Talbutal O=C1NC(=O)NC(=O)C1(CC=C)C(C)CC Tox21_113715 -NCGC00257826-01 196729981 tox21-ror-cho-viability-p1 set3 4 37.7094563491 -17.066420488 -1 -18.066420488 0.7 0.5854462374 0.1080927184 0.16569449 -0.11079904 2.0808859 -5.66662839 2.43141683 1.30810011 -5.30037433 -4.38570642 -2.66225558 0 -8.80899046 0 -7.65405384 -10.01751468 -13.38868374 1.158E-9 2.5899999999E-9 5.792E-9 1.2949999999E-8 2.896E-8 6.475E-8 1.448E-7 3.238E-7 7.24E-7 0.0000016189999999 0.00000362 0.0000080939999999 0.0000181 0.00004047 0.000090499999999 104-55-2 307 144207470 A A 3-Phenylprop-2-enal O=CC=Cc1ccccc1 Tox21_200272 -NCGC00255914-01 196729160 tox21-ror-cho-viability-p1 set3 4 0.0611305649 5.858610548 -4.858610548 1 4.9549173134 0.4867753807 0.1916004468 -0.35837896 -9.46550879 -7.33604803 -2.92066313 -4.26825232 -1.39705979 2.08987804 3.7574419 0.08617421 -2.58902577 -4.36732268 0.93708981 4.3151755 2.03323162 3.09579864 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-01-6 3092 144211637 A A Zoalene Cc1c(cc(cc1[N+](=O)[O-])[N+]([O-])=O)C(N)=O Tox21_301320 -NCGC00257945-01 196729586 tox21-ror-cho-viability-p1 set3 4 1.53018249 -2.21750943 0.79899709 -0.01015239 -0.28345204 2.04062175 -1.84701328 2.06996485 3.39479027 1.70449943 2.0604745 0.68740019 3.13876939 -4.13458345 0.17788571 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 62476-59-9 44072 144207589 A F Acifluorfen-sodium [Na+].Clc2cc(ccc2Oc1cc(C([O-])=O)c(cc1)[N+]([O-])=O)C(F)(F)F Tox21_200391 -NCGC00257936-01 196729984 tox21-ror-cho-viability-p1 set3 4 2.94418327 3.86885172 0.56660979 7.15462846 2.7090175 4.84510177 2.79323614 5.6861652 3.86512677 7.07602565 3.67663623 2.65420232 1.99295363 7.08708459 1.67410292 1.173E-9 2.624E-9 5.867E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.28E-7 7.3329999999E-7 0.0000016399999999 0.000003667 0.0000081989999999 0.00001833 0.000041 0.00009167 96-12-8 7280 144207580 A A 1,2-Dibromo-3-chloropropane BrC(CBr)CCl Tox21_200382 -NCGC00258699-01 196729996 tox21-ror-cho-viability-p1 set3 4 -3.74850854 -3.95548086 -2.28285636 -5.12705088 -3.71196092 -5.84534058 -3.50149993 -3.31228386 3.49300779 -1.36837316 1.85962623 1.69968924 2.51076365 -0.00542849 -2.41814191 1.159E-9 2.592E-9 5.7959999999E-9 1.2959999999E-8 2.898E-8 6.48E-8 1.449E-7 3.24E-7 7.245E-7 0.00000162 0.000003623 0.000008101 0.000018109999999 0.000040499999999 0.00009057 103-16-2 7638 144208345 Ac Ac 4-(Benzyloxyl)phenol Oc2ccc(OCc1ccccc1)cc2 Tox21_201147 -NCGC00166207-02 196713829 tox21-ror-cho-viability-p1 set2 4 -0.2158002 -0.91788463 -2.74292254 -1.56331517 0.58864303 0.442544 -1.17213719 0.34705341 -3.06572304 -0.2174004 -0.71811301 -1.04694924 -1.5272197 0.53087184 -0.56453146 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 38609-97-1 38072 170466071 A Cridanimod O=C(O)CN3c1ccccc1C(=O)c2ccccc23 Tox21_112348_1 -NCGC00015408-03 196713019 tox21-ror-cho-viability-p1 set2 4 -1.55601779 -0.25066525 -2.49305811 2.76306894 -5.4637421 -5.21821141 2.37738325 -5.50526882 0.57928892 -3.37817487 -2.47159352 -3.4487227 -5.98256771 -1.01342206 1.04102411 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-98-6 65326 170465509 A Ephedrine hydrochloride Cl.O[C@@H]([C@H](C)NC)c1ccccc1 Tox21_111310_1 -NCGC00182547-02 196713020 tox21-ror-cho-viability-p1 set2 4 -0.53517242 -1.98693267 -2.32979765 0.73600585 -0.61708063 0.66363568 -1.58886244 -0.79568109 1.46938715 2.02068609 -0.08095677 0.39055656 1.99318636 0.21227513 0.8921468 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122795-43-1 60754 170464821 F Gadodiamide hydrate [Gd+3].O.CNC(=O)CN(CC([O-])=O)CCN(CCN(CC([O-])=O)CC(=O)NC)CC([O-])=O Tox21_113000_1 -NCGC00024613-06 196713424 tox21-ror-cho-viability-p1 set2 4 0.59562076 -0.01551416 0.41101772 1.27632244 0.38676444 2.4256682 1.74695736 -0.36948902 0.88440217 -0.69639932 1.17973007 1.83528567 -0.70450324 3.6053967 2.02830921 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51411-04-2 2120 170466470 A Alrestatin O=C(O)CN3C(=O)c2cccc1cccc(c12)C3=O Tox21_110913_1 -NCGC00017326-05 196713831 tox21-ror-cho-viability-p1 set2 4 3.71075642 0.4149184 0.63770714 3.43196651 3.71429225 -0.99025497 0.87613525 -0.13979636 -0.83305676 2.42575128 0.07852506 -1.14425825 1.01322164 1.84245006 2.13475653 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 29617-43-4 656743 170465706 A (1S,9R)-beta-Hydrastine CN2CCc1cc5OCOc5cc1[C@H]2[C@@H]4OC(=O)c3c(OC)c(ccc34)OC Tox21_110815_1 -NCGC00181913-02 196713851 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -22.759927576 1 -21.759927576 4.9549173134 0.8795285415 0.0008121227 -1.62614875 1.04830926 2.28337554 -0.57587079 1.9843847 -0.04785021 0.70548946 3.1472306 0.68894134 2.64395501 -1.83709557 -0.98963391 3.16846018 1.92270453 -18.13327298 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14587-50-9 208836 144206884 A A Difeterol OC(C(C)N(C)CCOC(c1ccccc1)c2ccccc2)c3ccccc3 Tox21_113333 -NCGC00091351-03 196713852 tox21-ror-cho-viability-p1 set2 4 -0.46560876 1.79860796 0.49185082 -0.82554629 2.28664684 2.17946589 2.27304815 2.05689081 2.52389209 0.50515107 0.40351024 2.17229554 2.01293132 0.71180306 -1.27253304 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00254499-01 196714255 tox21-ror-cho-viability-p1 set2 4 43.2771256911 13.0332191001 0.9667808999 14 0.9999999999 0.7350913607 0.0247961335 -0.22507315 -0.29562328 2.86365314 -0.13177034 1.25475873 3.145664 4.17865021 -0.44434925 0.3201149 2.94720037 -0.21524894 4.39613653 5.73746722 5.9362038 10.88932777 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 290352-28-2 9819350 144210784 A Ac CP-634384 O=C(O)C(=O)Nc3cc(C)c(Oc2ccc(O)c1CCCc12)c(C)c3 Tox21_300466 -NCGC00357108-01 196724281 tox21-ror-cho-viability-p1 set3 1.4 0.0030637859 18.145715088 -16.645715088 1.5 1.6258976909 0.7691423705 0.0143686729 -13.87142924 -9.64878438 -1.08251512 -3.13740196 0.97600092 2.34006925 1.21400223 2.02945828 2.23553796 -1.65674452 4.97757825 -1.7029204 -2.30152887 1.96327267 6.62232697 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2426-54-2 17050 251919889 A 2-(Diethylamino)ethyl acrylate O=C(C=C)OCCN(CC)CC Tox21_303835 -NCGC00163815-04 196730600 tox21-ror-cho-viability-p1 set3 4 0.6285276863 0.87031101 -0.12404101 -14.34191984 -22.57527609 -7.11168438 -21.14466556 -6.77279933 -19.97568327 -25.91898648 -3.79290202 0 -0.35500334 -12.69047129 -18.08633361 -30.95389942 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00357150-01 196702887 tox21-ror-cho-viability-p1 set1 4 0.000010091 -37.48802031 -29.2217422 -21.64016108 -13.93742353 -14.95321722 -10.27887601 -2.03293341 0.10312438 -3.88680246 -4.92993014 -2.89562419 -5.46690889 0.22299274 1.42492523 1.80536682 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3647-69-6 77210 251919898 Ac 4-(2-Chloroethyl)morpholine hydrochloride (1:1) Cl.ClCCN1CCOCC1 Tox21_303894 -NCGC00257652-01 196702071 tox21-ror-cho-viability-p1 set1 4 -3.86162073 -7.43747757 -0.86076181 2.75836272 -6.80755952 -0.43605437 -1.26570562 -10.80922836 -7.94933533 -1.23449666 -13.05473343 -9.03714677 -2.42905484 -8.44087868 -11.91292849 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 5089-70-3 78771 144207296 FNS (3-Chloropropyl)(triethoxy)silane CCO[Si](OCC)(OCC)CCCCl Tox21_200098 -NCGC00258639-01 196702469 tox21-ror-cho-viability-p1 set1 4 2.79517839 2.3721893 1.33873976 2.08577887 5.64297643 1.97720293 2.31197553 2.44828779 10.07149772 6.62470623 -8.78643876 2.31108092 3.69419349 1.87259585 -0.60304505 1.2069999999E-9 2.6979999999E-9 6.034E-9 1.349E-8 3.017E-8 6.746E-8 1.5079999999E-7 3.373E-7 7.5419999999E-7 0.000001687 0.0000037709999999 0.0000084329999999 0.00001886 0.000042159999999 0.00009428 110-82-7 8078 144208285 FNS Cyclohexane C1CCCCC1 Tox21_201087 -NCGC00257789-01 196702474 tox21-ror-cho-viability-p1 set1 4 4.31584573 1.18372981 0.99200104 6.04304034 2.32997011 1.17043369 5.4534054 1.94232101 5.80602575 -2.67523408 0.96388704 0.40796204 3.52869911 0.7498647 6.10623925 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.000041429999999 0.000092629999999 542-75-6 24883 144207433 C 1,3-Dichloropropene ClC=CCCl Tox21_200235 -NCGC00254300-01 196700021 tox21-ror-cho-viability-p1 set1 4 38.5707788719 -14.951738892 0.5 -14.451738892 2.2526478767 0.7770719767 0.0125704643 -1.78720111 0.02932341 2.27800826 0.22191697 2.03508726 1.37767794 2.85036135 -5.12503902 -1.78924239 1.14248473 0.59018474 1.14228371 -2.17047281 -7.78067294 -12.45978241 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25155-30-0 23707968 144210824 F Sodium dodecylbenzenesulfonate [Na+].O=S([O-])(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_300506 -NCGC00254616-01 196700008 tox21-ror-cho-viability-p1 set1 4 0.12502576 2.60115323 0.04983359 -0.39923194 3.96194446 1.09305247 3.68646875 -0.83773387 0.6118185 -4.59783701 0.43759367 3.07960016 1.95968639 -2.79377031 1.39364666 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 43222-48-6 39424 144211025 A A Difenzoquat metilsulfate Cn2[n+](C)c(cc2c1ccccc1)c3ccccc3.[O-]S(=O)(=O)OC Tox21_300708 -NCGC00254922-01 196700016 tox21-ror-cho-viability-p1 set1 -2.1 30.6378586933 -93.9982114863 0.946471189 -93.0517402973 1.752947691 0.9794769909 5.51E-8 -0.12360862 0.57642318 0.1384347 4.30809174 -2.14298472 0.79431145 -0.31489137 3.54526507 3.21864345 3.18810341 0.70782133 -13.64646069 -26.9420413 -53.35137104 -91.22719637 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-43-8 66030 144211337 CC 4-Dodecylphenol Oc1ccc(CCCCCCCCCCCC)cc1 Tox21_301020 -NCGC00254196-01 196700020 tox21-ror-cho-viability-p1 set1 4 -1.3766036 -4.83034368 -3.27860717 0.36706348 -2.65679286 0.0881352 -1.6231961 -3.24712474 0.84751547 -0.92383695 1.87441239 1.03617972 -4.26402046 1.44767014 2.45930291 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3296-90-0 18692 144210616 A A 2,2-Bis(bromomethyl)-1,3-propanediol OCC(CBr)(CBr)CO Tox21_300296 -NCGC00255754-01 196700413 tox21-ror-cho-viability-p1 set1 -2.4 19.3311819617 -29.944051072 0 -29.944051072 1.24751 0.8043586078 0.0102006296 1.75718565 -0.56063207 1.39303898 0.59347893 -0.07248054 -0.58487018 -0.33341669 -0.11964721 1.26410308 -0.22149142 -11.77931164 -0.10184545 -18.10669178 -21.62004256 1.17671744 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 628-46-6 12344 144212713 A A 5-Methylhexanoic acid CC(C)CCCC(=O)O Tox21_302396 -NCGC00255970-01 196700418 tox21-ror-cho-viability-p1 set1 4 -3.41645641 0.37099246 -0.23227961 -0.60710549 0.65127301 0.03472356 -0.62363175 0.58011987 1.05792661 2.58644275 1.63928524 -0.49596963 -0.4236809 0.02792917 3.816338 1.026E-9 2.295E-9 5.132E-9 1.148E-8 2.5659999999E-8 5.7379999999E-8 1.283E-7 2.8689999999E-7 6.4149999999E-7 0.000001434 0.0000032069999999 0.0000071719999999 0.00001604 0.00003586 0.00008018 630-60-4 439501 144211864 A A Ouabain O=C1C=C(CO1)[C@H]2CC[C@]3(O)[C@@H]4CC[C@]5(O)C[C@H](C[C@@H](O)[C@]5(CO)[C@H]4[C@H](O)C[C@]23C)O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O Tox21_301547 -NCGC00256259-01 196700419 tox21-ror-cho-viability-p1 set1 4 0.685896219 5.5924803159 -2.5924803159 3 4.4494702849 0.4892616686 0.1893268011 -7.57706693 -1.17988374 -3.47997068 -3.35978505 -0.68172182 -1.92882981 -1.90340742 -1.91902148 0.0382439 9.02274206 0.75004889 0.32105164 0.13566313 0.39536504 7.62637088 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1660-95-3 74266 144211584 A A Tetraisopropyl methylenediphosphonate O=P(CP(=O)(OC(C)C)OC(C)C)(OC(C)C)OC(C)C Tox21_301267 -NCGC00255523-01 196700423 tox21-ror-cho-viability-p1 set1 4 30.6378586933 -9.5096707439 2 -7.5096707439 3.0654483358 0.5707641689 0.1200196959 -0.68507326 1.41287148 -0.15566025 3.22953394 3.35414737 6.66845497 4.73439452 2.07095458 -2.60306846 5.5780002 0.4479938 -0.04103223 1.48976082 -5.78775836 -6.67472562 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 71626-11-4 51369 144211874 A A Benalaxyl CC(N(C(=O)Cc1ccccc1)c2c(C)cccc2C)C(=O)OC Tox21_301557 -NCGC00254877-01 196720097 tox21-ror-cho-viability-p1 set3 4 0.0054482673 9.019555272 -9.519555272 -0.5 4.9549173134 0.6260748565 0.0798106044 -6.55729481 -12.51629606 -3.03435166 -2.11328186 -1.67116856 -4.58279239 2.38368573 0.30413279 -3.67618114 -0.35568185 2.44272461 1.2809334 -2.85842613 1.41728784 -0.14387939 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-55-4 7940 144211292 A A Glutaric anhydride O=C1CCCC(=O)O1 Tox21_300975 -NCGC00253989-01 196720501 tox21-ror-cho-viability-p1 set3 4 30.6378586933 -17.61342088 -1.5 -19.11342088 1.4641 0.6046509108 0.108274984 -2.12683305 -4.81505 2.06282423 2.4140857 -3.27518436 -1.89963787 -4.2804137 0.13530136 -2.66239271 -2.28908927 -1.58699208 -6.42658412 -2.51848603 -15.0945174 2.83477165 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-93-0 6506 144210324 A B Triethyl citrate OC(CC(=O)OCC)(CC(=O)OCC)C(=O)OCC Tox21_300004 -NCGC00254658-01 196720107 tox21-ror-cho-viability-p1 set3 4 -1.37590918 -6.84339958 -2.37690544 10.14140209 -3.7503944 -6.03219371 -0.52943224 -0.48980494 5.19374402 -1.5911409 -1.43593294 2.31072952 -0.77062032 1.75428383 6.35099029 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1007-28-9 13878 144211070 A A Deisopropylatrazine Nc1nc(NCC)nc(Cl)n1 Tox21_300753 -NCGC00254476-01 196720096 tox21-ror-cho-viability-p1 set3 4 0.1722893406 8.0362513559 -1.0362513559 7 4.9549173134 0.3585942322 0.3115877021 9.33455709 -4.48366423 1.45340995 -3.92408855 -4.88632748 -5.08086581 1.11085765 11.47715839 8.6405069 12.4416999 8.15699585 -6.69687613 8.09885446 5.87388981 7.24053789 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-62-7 7450 144210680 CC 1,3-Diisopropylbenzene CC(C)c1cccc(c1)C(C)C Tox21_300362 -NCGC00254129-01 196720099 tox21-ror-cho-viability-p1 set3 -2.2 54.4826732819 -76.8080675659 7 -69.8080675659 2.5334283767 0.8460159973 0.0025327955 17.93876751 8.81546016 16.43838375 20.06399453 3.71230157 0.75362373 4.4562504 11.9956584 -1.72215201 -0.09162254 -1.07369981 3.4732584 -1.54314643 -14.87890097 -54.84743701 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 444610-91-7 10233356 144210542 A A PharmaGSID_47315 O=C(O)COc1ccc(cc1CC)SCc4sc(nc4CN2CCN(CC2)c3ccc(OC)cc3)c5ccc(cc5)C(F)(F)F Tox21_300222 -NCGC00254945-01 196720109 tox21-ror-cho-viability-p1 set3 4 -0.87338997 -3.84419873 -10.89803704 6.32936403 -3.50356209 -1.96443279 0.05888793 -0.80691749 -1.62767981 -0.82667635 0.20823447 -0.68460994 -0.48626234 0.9041117 5.98676167 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-54-8 7660 144211360 A A 3-Phenylprop-2-en-1-yl acetate CC(=O)OCC=Cc1ccccc1 Tox21_301043 -NCGC00254944-01 196720113 tox21-ror-cho-viability-p1 set3 4 0.968854161 14.4360276359 -11.4360276359 3 0.4 0.5202245381 0.17752132 -6.54424564 -7.64621794 -15.78002303 -14.93660856 -6.30362967 -6.64191866 -1.48981032 -7.64886084 -5.80846279 -0.65652964 -7.90014077 -0.80379856 0.23114963 1.55197005 -7.23339298 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126833-17-8 213031 144211359 A A Fenhexamid O=C(Nc1ccc(O)c(Cl)c1Cl)C2(C)CCCCC2 Tox21_301042 -NCGC00253984-01 196720116 tox21-ror-cho-viability-p1 set3 -2.1 54.4826732819 -95.2968711488 -3.52098525 -98.8178563988 2.4729283767 0.9637601037 0.0000014101 -6.26256714 -14.04253992 1.18117341 -3.91108169 -4.7576448 -0.56441323 -3.95976193 -3.05231945 0.11523907 0.27156947 -3.8966967 0.42528363 -12.94817038 -33.06207187 -79.02867909 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52-51-7 2450 144210446 A A Bronopol [O-][N+](=O)C(Br)(CO)CO Tox21_300126 -NCGC00254837-01 196720514 tox21-ror-cho-viability-p1 set3 4 1.5355303643 27.439038308 -14.939038308 12.5 0.2 0.6336835274 0.0742959061 -10.18300338 -14.94919859 -5.68507081 -3.3801385 -5.12695767 -5.62957279 -3.86287375 -2.03474599 -1.44988119 -2.14887898 0.66237998 -0.63614198 -4.19942175 0.33322825 11.46556837 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18467-77-1 65420 144211252 Ac Ac Dikegulac O=C(O)[C@]23O[C@H]1COC(C)(C)O[C@H]1[C@@H]3OC(C)(C)O2 Tox21_300935 -NCGC00253924-01 196720512 tox21-ror-cho-viability-p1 set3 1.4 0.0034376243 22.915580896 -25.717678612 -2.802097716 0.7999999999 0.815213513 0.0057182826 -16.96199817 -20.59806551 -7.93445283 -5.80139038 -9.65187985 -6.96928281 -1.71637776 -5.22166632 -1.08508143 -1.17219911 -3.53832087 -2.30340623 -3.43696179 -3.1878543 -2.35949211 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-90-4 8411 144210361 A A 3,3'-Dimethoxybenzidine Nc1ccc(cc1OC)c2ccc(N)c(OC)c2 Tox21_300041 -NCGC00253990-01 196720513 tox21-ror-cho-viability-p1 set3 4 30.6378586933 -22.026831364 -1 -23.026831364 1.4641 0.5286408747 0.1699348362 -2.63650434 -7.98050938 1.30892017 1.97183846 -0.94090373 1.59994215 2.98183909 2.60185132 -5.58426671 0.46269358 -6.43762184 -7.01282764 -2.39109846 -17.52235947 -2.54440845 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47255 60196399 144210529 A D CP-465394 [Na+].OC(C)(C)c1coc(c1)S(=O)(=O)[N-]C(=O)Nc2c(cccc2C(C)C)C(C)C Tox21_300209 -NCGC00260121-01 196724703 tox21-ror-cho-viability-p1 set3 4 0.0021932802 14.299225104 -8.799225104 5.5 1.59358881 0.4300770621 0.2440704499 -5.66602092 0.53323007 1.46596718 4.31674462 8.42610245 4.68333483 9.62212275 9.74421027 0.44698855 2.59322151 2.78980266 1.14140154 5.62686843 1.98877177 12.39321934 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.33E-7 7.446E-7 0.000001665 0.0000037229999999 0.000008324 0.00001861 0.00004162 0.000093069999999 75-59-2 60966 144209770 A Tetramethylammonium hydroxide [OH-].C[N+](C)(C)C Tox21_202572 -NCGC00090750-04 196724289 tox21-ror-cho-viability-p1 set3 4 -0.47328463 1.35457293 -1.35240651 -4.62360154 -3.39724083 -5.63939447 -2.35207851 0.30921634 0.0954341 -5.66860371 0.40871337 1.08955951 -1.81024998 -2.72101969 -2.67980444 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00260040-01 196724694 tox21-ror-cho-viability-p1 set3 4 -0.12316734 2.44018036 -9.17191381 -7.80769843 -1.53884283 -2.41033336 2.19155726 1.04785874 -2.0836075 -1.22315494 1.10799606 2.25805016 -4.9891047 -4.01282691 1.58437766 1.158E-9 2.5899999999E-9 5.792E-9 1.2949999999E-8 2.896E-8 6.475E-8 1.448E-7 3.238E-7 7.24E-7 0.0000016189999999 0.00000362 0.0000080939999999 0.0000181 0.00004047 0.000090499999999 123-72-8 261 144209689 Fns Butyraldehyde CCCC=O Tox21_202491 -NCGC00258754-01 196724695 tox21-ror-cho-viability-p1 set3 4 0.0784482066 -11.053551116 11.5 0.446448884 3.9899729863 0.4916404294 0.1858047888 12.82311924 12.66122114 5.04840581 14.65142023 9.8842568 10.72523918 -5.1219654 -2.86026345 2.74029186 10.39975777 1.34872095 7.87062232 -10.04462593 0.24525502 -0.00220047 1.1989999999E-9 2.6809999999E-9 5.995E-9 1.3409999999E-8 2.998E-8 6.703E-8 1.4989999999E-7 3.351E-7 7.494E-7 0.000001676 0.000003747 0.000008378 0.00001873 0.00004189 0.00009367 107-15-3 3301 144208400 Ethylenediamine NCCN Tox21_201202 -NCGC00356954-01 196724712 tox21-ror-cho-viability-p1 set3 4 17.2289340586 15.9763696639 -5.9763696639 10 2.1876167061 0.4398427537 0.2336126757 -2.09218001 7.17354916 6.35560734 -11.64697472 -10.25633429 -9.7571199 -8.00217504 -8.82139071 -10.62666348 -11.25186729 -10.10972 0.67886723 0.88082082 8.37191319 9.25158141 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3068-00-6 18302 251919792 A 1,2,4-Butanetriol OCCC(O)CO Tox21_303969 -NCGC00014684-04 196725134 tox21-ror-cho-viability-p1 set3 4 0.016785492 5.4224664359 -3.9224664359 1.5 4.9549173134 0.566240727 0.1239159996 -2.78848757 -0.24236552 -9.51872203 -3.51876404 -2.41258083 1.94714219 5.57601455 2.10807818 0.48026532 0.57498306 0.40998337 -0.57904292 2.88202279 0.68452189 2.16953669 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27199-40-2 65758 170466112 A Pifexole Clc3ccccc3c1nc(no1)c2ccncc2 Tox21_110057_1 -NCGC00183847-01 196725542 tox21-ror-cho-viability-p1 set3 1.2 0.7497803863 31 2 33 0.8999999999 0.7733851506 0.0132312607 0.73408417 4.87228256 0 0 0 0 26.51307969 0 9.47085828 16.01389644 24.54640556 30.23032767 31.29896348 31.76596411 28.69059806 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 86-12-4 27901 144206868 A A Thenalidine CN1CCC(CC1)N(Cc2cccs2)c3ccccc3 Tox21_113317 -NCGC00015611-18 196725547 tox21-ror-cho-viability-p1 set3 4 0 0 -5.78345865 -4.41267073 -12.47836527 -2.7967969 2.5451406 5.58721339 -3.44612293 2.90907083 -1.75067678 -11.77563613 2.72652862 3.6658654 5.73299002 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 137-58-6 3676 170464729 A Lidocaine O=C(Nc1c(C)cccc1C)CN(CC)CC Tox21_110183_1 -NCGC00025176-02 196725951 tox21-ror-cho-viability-p1 set3 4 5.28279414 5.98209241 0.06378389 -1.41716822 -2.44949705 -0.85871733 -0.35868184 -0.81357028 -0.34907222 -3.91897791 -1.28413828 -0.3336493 -3.40351244 -0.58764673 1.13275058 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33125-97-2 36339 170465117 A Etomidate CC(c1ccccc1)n2cncc2C(=O)OCC Tox21_110628_1 -NCGC00090686-07 196725956 tox21-ror-cho-viability-p1 set3 4 3.49245265 -1.44845945 -0.6240954 -0.95445889 -3.20260135 -0.13871056 -4.03461115 -5.06888322 -4.78485046 -2.61817631 -0.93570081 -3.17036312 -1.71234143 -2.96743795 -3.59856916 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00015264-13 196725957 tox21-ror-cho-viability-p1 set3 4 0.0595571731 -20.737197528 11 -9.737197528 3.9294729863 0.7155284475 0.3836227985 -2.08195123 2.75104356 12.27174581 14.28948786 21.54836707 19.06371015 -8.4351908 -5.94554226 -8.38159295 -7.725064 23.35184261 -10.97900689 -11.03099794 -10.91560678 21.81802821 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 303-49-1 2801 170464702 A Clomipramine hydrochloride CN(C)CCCN2c3ccccc3CCc1ccc(Cl)cc12 Tox21_110117_1 -NCGC00260460-01 196703321 tox21-ror-cho-viability-p1 set1 4 1.45079274 -2.8975029 -0.23799278 -0.49786005 -1.19535744 0.53409406 -1.77554288 0.49352747 0.41486663 0.86128408 -0.64138463 0.46303104 1.64244157 0.08386926 1.7520152 1.224E-9 2.736E-9 6.118E-9 1.3679999999E-8 3.059E-8 6.84E-8 1.529E-7 3.42E-7 7.647E-7 0.00000171 0.0000038239999999 0.00000855 0.00001912 0.000042749999999 0.00009559 333-27-7 9526 144210112 C Methyl trifluoromethanesulfonate FC(F)(F)S(=O)(=O)OC Tox21_202914 -NCGC00091278-03 196703723 tox21-ror-cho-viability-p1 set1 4 34.3762428541 -18.0492553799 0 -18.0492553799 1.59358881 0.6569911795 0.0602353156 -0.36823528 2.89310682 2.63367552 -2.42713734 1.56314186 -2.35922701 -0.49011205 -4.0628511 -0.44679556 -1.06825199 7.92733033 -6.93287766 -3.63125435 -9.89266514 -15.04104615 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00259354-01 196703301 tox21-ror-cho-viability-p1 set1 -2.4 67.892692775 -30.809356092 -0.5 -31.309356092 4.9549173134 0.8033963059 0.0074181201 5.70164378 -0.77847724 -0.77204102 -1.68499924 0.43500966 -7.6030339 3.27747322 -0.12546242 -1.04834783 1.75656578 -0.42749403 -0.26696473 -6.10597376 -1.78248168 -25.67446341 1.1699999999E-9 2.615E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.538E-8 1.462E-7 3.269E-7 7.31E-7 0.000001635 0.0000036549999999 0.000008173 0.00001828 0.000040869999999 0.00009138 57-97-6 6001 144209003 B C 7,12-Dimethylbenz(a)anthracene Cc2c1c4ccccc4ccc1c(C)c3ccccc23 Tox21_201805 -NCGC00357131-01 196703311 tox21-ror-cho-viability-p1 set1 4 -1.57266938 4.26812597 1.15709699 6.86491586 4.20218561 4.73388646 -2.02037053 5.57293848 3.28711731 4.39065716 -0.56830727 3.18279332 3.47878703 5.02921629 2.38184112 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 526-73-8 10686 251919826 Ac 1,2,3-Trimethylbenzene Cc1cccc(C)c1C Tox21_303868 -NCGC00260053-01 196703736 tox21-ror-cho-viability-p1 set1 4 12.0768664624 -16.993912772 -2.5 -19.493912772 3.5117481694 0.8365828802 0.0033357319 -2.79326976 -3.59093969 0.32233319 -1.66975807 0.43946105 -0.45098699 -8.98364196 -2.2282968 -3.14655993 -4.17565756 -1.70087993 -2.4220944 -6.3066959 -19.99492731 -16.88238274 5.979E-10 1.337E-9 2.989E-9 6.685E-9 1.4949999999E-8 3.342E-8 7.4739999999E-8 1.6709999999E-7 3.7369999999E-7 8.356E-7 0.000001868 0.000004178 0.000009342 0.000020889999999 0.00004671 8003-22-3 6731 144209702 A A D & C Yellow 11 O=C4c1ccccc1C(=O)C4c2ccc3ccccc3n2 Tox21_202504 -NCGC00260439-01 196703737 tox21-ror-cho-viability-p1 set1 4 -0.1300645 -0.25475851 1.68571027 -3.60304635 1.86549738 2.10514171 0.56517363 0.07711799 2.98932483 1.86323765 3.30801055 -3.34038505 3.9812238 1.43312174 0.01117936 5.892E-10 1.317E-9 2.9459999999E-9 6.587E-9 1.4729999999E-8 3.293E-8 7.3639999999E-8 1.647E-7 3.682E-7 8.234E-7 0.0000018409999999 0.000004117 0.000009206 0.000020579999999 0.00004603 127-85-5 23670523 144210091 F Ac Sodium arsanilate [Na+].O=[As]([O-])(O)c1ccc(N)cc1 Tox21_202893 -NCGC00260075-01 196704137 tox21-ror-cho-viability-p1 set1 4 0.1342014 -3.60715485 -1.88267724 -5.69759894 0.98378977 -3.07816319 4.10709446 -5.03090039 -5.10762017 -7.3947131 0.43553642 -0.39665282 -1.31526938 -0.62202422 2.98025528 1.165E-9 2.605E-9 5.8259999999E-9 1.303E-8 2.9129999999E-8 6.514E-8 1.457E-7 3.2569999999E-7 7.2829999999E-7 0.000001628 0.000003641 0.000008142 0.00001821 0.00004071 0.00009103 75-09-2 6344 144209724 FNS Dichloromethane ClCCl Tox21_202526 -NCGC00260052-01 196704143 tox21-ror-cho-viability-p1 set1 4 3.07370237 4.3137428 0.513272 0.79560063 0.23750109 -0.06013032 0.85060558 0.38755702 -4.25764972 -0.49755074 4.18013072 0.45971416 2.58481371 -0.90370551 1.03992618 1.2169999999E-9 2.722E-9 6.086E-9 1.361E-8 3.0429999999E-8 6.804E-8 1.521E-7 3.402E-7 7.607E-7 0.0000017009999999 0.0000038039999999 0.000008505 0.000019019999999 0.00004253 0.00009509 98-82-8 7406 144209701 F Fc Cumene CC(C)c1ccccc1 Tox21_202503 -NCGC00357232-01 196704145 tox21-ror-cho-viability-p1 set1 4 2.50040349 1.11141199 2.09575655 3.15967384 1.03291001 -0.819864 -1.52658979 -0.28049992 3.47886989 2.78252317 0.7522891 -0.43785594 1.37019425 1.19565981 0.73807474 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 623-33-6 2723640 251919926 A Ethyl glycinate hydrochloride Cl.NCC(=O)OCC Tox21_304019 -NCGC00262952-01 196704148 tox21-ror-cho-viability-p1 set1 4 29.8492948118 -15.842876476 2 -13.842876476 4.9549173134 0.6677270731 0.0544715492 0.0023825 5.55343771 0.14487747 0.83049079 3.9553554 4.18344292 -3.2591882 5.15041245 -0.85509847 -0.89820203 1.3019529 4.8196464 2.63826965 0.20775442 -12.36906373 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 700-13-0 12785 170466733 F F 2,3,5-Trimethylhydroquinone Oc1cc(C)c(O)c(C)c1C Tox21_113944 -NCGC00164581-02 196704149 tox21-ror-cho-viability-p1 set1 4 -9.57866899 -7.70823035 -8.13573056 -7.51770474 -10.21249854 -7.27797264 -8.78028733 -3.62357116 -2.83091247 -4.97618428 -5.18146582 -3.94924352 -7.6141985 -11.65442409 -18.0521684 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2998-57-4 259331 170466403 F Estramustine ClCCN(CCCl)C(=O)Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)CC[C@@H]12)c4cc3 Tox21_112207_1 -NCGC00169964-05 196704554 tox21-ror-cho-viability-p1 set1 -1.2 0.16785492 -36.247213726 0 -36.247213726 0.7999999999 0.9732841251 2.51E-7 -1.53192643 -0.63665325 -3.17086404 0.39596255 -5.7397295 -4.21923643 -12.3663807 -22.11879802 -25.21701633 -26.84218737 -28.47783725 -32.19624313 -35.8727195 -39.58075345 -34.36228089 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66-81-9 6197 170466349 A Cycloheximide O=C2CC(C[C@@H](O)[C@@H]1C[C@@H](C)C[C@H](C)C1=O)CC(=O)N2 Tox21_113580_1 -NCGC00253592-01 196704561 tox21-ror-cho-viability-p1 set1 -1.1 7.4978038628 -86.0006265523 -1.462855203 -87.4634817553 3.5722481694 0.9960244398 0 -0.59024009 -4.18077095 0.17340076 -0.35401579 -0.96057126 0.19758909 -1.00988279 -1.82405494 -0.3688157 -1.30964078 -5.59694307 -9.45924577 -58.64166706 -89.43096294 -84.59662078 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 481-85-6 10209 170465455 F F Menadiol Oc1cc(C)c(O)c2ccccc12 Tox21_113729 -NCGC00091011-05 196720915 tox21-ror-cho-viability-p1 set3 1.2 24.3365162115 59.1413648038 -2.9931655579 56.1481992459 3.1319983358 0.9090947517 0.0001988823 -17.10613782 -2.86511403 -1.42815897 -1.71800013 -6.31253507 -2.91768573 -9.08097857 -4.27549016 1.87578297 0.36205015 1.43609959 9.69084511 9.86055455 53.12186102 50.49606429 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00259392-01 196721309 tox21-ror-cho-viability-p1 set3 4 -3.61337872 -6.24330316 -3.22851284 -5.25691864 -6.9229867 -3.16754928 -1.27185964 -3.54918247 -7.88619346 -5.55532594 -2.42705427 -1.20455739 -3.78282899 -6.02946525 -5.60480028 1.159E-9 2.591E-9 5.793E-9 1.2949999999E-8 2.8969999999E-8 6.4769999999E-8 1.448E-7 3.239E-7 7.2419999999E-7 0.0000016189999999 0.0000036209999999 0.000008096 0.0000181 0.000040479999999 0.00009052 117-83-9 8345 144209041 A A Bis(2-butoxyethyl) phthalate O=C(OCCOCCCC)c1ccccc1C(=O)OCCOCCCC Tox21_201843 -NCGC00258877-01 196721703 tox21-ror-cho-viability-p1 set3 4 34.9012905641 10.260333344 -8.260333344 2 4.0949729863 0.3297707246 0.3397241953 -9.34630769 -3.05082129 -8.14612963 1.16761632 -1.38984623 -11.73761643 -14.35091101 -12.53486533 -14.38361112 -7.17229275 -8.80668285 -9.7248885 -5.48522504 -2.13021794 2.80548102 1.195E-9 2.6729999999E-9 5.9769999999E-9 1.337E-8 2.989E-8 6.683E-8 1.494E-7 3.341E-7 7.4709999999E-7 0.000001671 0.000003736 0.000008353 0.000018679999999 0.00004177 0.00009339 118-48-9 8359 144208523 A C 2H-3,1-Benzoxazine-2,4(1H)-dione O=C1OC(=O)Nc2ccccc12 Tox21_201325 -NCGC00259119-01 196721710 tox21-ror-cho-viability-p1 set3 -1.2 6.8380418669 -36.914277075 -5.024967733 -41.939244808 3.0654483358 0.9085032441 0.0002056475 -14.23066789 -6.86053221 -4.46872357 5.39852473 -3.6777099 -5.53967119 -5.61374902 -11.46966664 -7.10853496 1.86317318 -8.51008693 -29.71300011 -40.23857624 -37.90667605 -44.8511526 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.3529999999E-7 0.0000016439999999 0.0000036769999999 0.000008221 0.000018379999999 0.00004111 0.00009192 76-06-2 6423 144208768 Chloropicrin ClC(Cl)(Cl)[N+]([O-])=O Tox21_201570 -NCGC00258856-01 196721714 tox21-ror-cho-viability-p1 set3 4 30.980905983 8.9649386079 -6.9649386079 2 4.9549173134 0.4517670378 0.2236469454 -8.03057918 -8.5362586 -8.63725052 2.3261498 -7.08248395 -11.63744884 -6.96611197 -3.48912695 -7.9764261 -5.60082618 -9.76237944 -8.55488595 -9.49119647 2.474804 0.90014678 1.191E-9 2.663E-9 5.954E-9 1.331E-8 2.977E-8 6.657E-8 1.489E-7 3.3279999999E-7 7.4429999999E-7 0.0000016639999999 0.000003721 0.0000083209999999 0.00001861 0.000041609999999 0.00009303 2437-25-4 17092 144208502 A A Dodecanenitrile CCCCCCCCCCCC#N Tox21_201304 -NCGC00258789-01 196721723 tox21-ror-cho-viability-p1 set3 4 -4.29872912 -2.7826753 4.86968048 3.49699257 -0.7724818 0.99241076 -3.02813715 2.9466108 1.55897407 -4.00190281 -3.23209237 2.04239855 -3.5406284 6.8669367 3.21012017 1.191E-9 2.664E-9 5.9569999999E-9 1.332E-8 2.979E-8 6.66E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.0000037229999999 0.000008326 0.00001862 0.00004163 0.00009308 94-80-4 7206 144208435 A A 2,4-D 1-butyl ester Clc1cc(Cl)ccc1OCC(=O)OCCCC Tox21_201237 -NCGC00164553-02 196722510 tox21-ror-cho-viability-p1 set3 4 6.35461029 1.85541682 -1.65097728 -3.30259357 6.34966595 -0.22240504 2.93428996 4.37676147 17.46315184 14.74563375 5.08085239 2.17922689 1.77674372 0.37938644 5.64980345 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123318-82-1 119182 170465145 A Clofarabine Nc3nc(Cl)nc2c3ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F Tox21_112182_1 -NCGC00253656-01 196722530 tox21-ror-cho-viability-p1 set3 4 0.26603212 -7.4502409439 1.5 -5.9502409439 4.9549173134 0.5092837276 0.1873422666 0.31596586 -0.06522202 3.17182799 1.07625323 -2.38510952 1.96719786 3.97682138 1.61712028 -5.55492207 -1.62999438 -13.70853412 -9.57189464 0.76727156 -5.72272016 6.11339454 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 302-97-6 99472 170466735 A A Etienic acid O=C(O)[C@H]3CC[C@H]2[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_113782 -NCGC00165924-04 196722533 tox21-ror-cho-viability-p1 set3 4 -0.64086419 -0.94939512 -0.93552376 -0.24701888 0.8059086 -0.07393247 6.59234417 0.90640845 -6.32464757 -5.89802552 0.69782336 3.3860537 2.13480317 -2.79461729 5.32668149 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 70989-04-7 107921 170465368 A (S)-Mephenytoin CC[C@]1(NC(=O)N(C)C1=O)c2ccccc2 Tox21_111783_1 -NCGC00181040-02 196722535 tox21-ror-cho-viability-p1 set3 4 1.50512606 -0.28614755 0.57485124 -1.66470699 -2.7075621 1.20157873 -1.44496915 -0.88527195 -1.67757905 1.05601799 3.23597813 3.46365477 -1.13632451 1.57570536 7.08962444 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3238-60-6 9985 170465693 Z dl-Coniine CCCC1CCCCN1 Tox21_112688_1 -NCGC00259978-01 196721334 tox21-ror-cho-viability-p1 set3 4 -7.41157075 -6.56956385 -1.61698408 0.60834473 -6.59025046 -6.21814345 -6.39404226 -5.20400971 -5.90204543 -6.97497606 -5.57560784 -6.19414804 -5.68411656 0.43086857 -2.64783975 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.0000036889999999 0.000008248 0.00001844 0.00004124 0.00009222 84-69-5 6782 144209627 A A Diisobutyl phthalate CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C Tox21_202429 -NCGC00259571-01 196720938 tox21-ror-cho-viability-p1 set3 4 -3.63814141 -5.49526137 -0.2312201 -4.4553491 -2.72362036 -7.92580514 -6.18621187 -7.95991904 -7.67194026 -4.79074892 -2.28939252 -6.4429763 -4.86909713 -2.21042463 -1.02736798 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.00009175 968-81-0 1989 144209220 A A Acetohexamide O=C(NC1CCCCC1)NS(=O)(=O)c2ccc(cc2)C(C)=O Tox21_202022 -NCGC00255333-01 196727969 tox21-ror-cho-viability-p1 set3 -2.1 48.5577336745 -121.1177097517 1.5891822398 -119.5285275119 2.7202212143 0.9738068152 2.239E-7 0.44504365 0.26786129 -4.70392544 5.22206058 -0.80718601 4.3500372 5.10864181 2.8768078 -5.14665805 -5.116055 4.89174698 6.3383764 0.48489544 -51.33347439 -99.60710626 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 313-06-4 9403 144212135 F A Estradiol cypionate Oc4cc5CC[C@@H]1[C@H](CC[C@]2(C)[C@H](CC[C@@H]12)OC(=O)CCC3CCCC3)c5cc4 Tox21_301818 -NCGC00256880-01 196727551 tox21-ror-cho-viability-p1 set3 4 6.04831236 2.41918741 2.01431865 2.74807378 -2.14129722 1.47311119 0.51624788 -1.79000145 0.67868318 2.23432813 3.42137445 -1.25768512 3.45429132 -2.1834779 1.89168897 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 67028-40-4 4047281 144212951 A A (4-Methylphenoxy) acetic acid ethyl ester O=C(COc1ccc(C)cc1)OCC Tox21_302634 -NCGC00256127-01 196727953 tox21-ror-cho-viability-p1 set3 4 0.28633324 -1.68723161 -1.07928195 0.7050188 1.37455362 5.26978464 6.23567727 3.67809077 7.13339829 3.86215807 7.0770687 0.93146859 3.22827895 0.10642748 2.24009958 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1466-76-8 15109 144212315 A A 2,6-Dimethoxybenzoic acid COc1cccc(OC)c1C(=O)O Tox21_301998 -NCGC00256252-01 196727957 tox21-ror-cho-viability-p1 set3 4 25.6540355367 9.74809132 -2.24809132 7.5 4.9549173134 0.367015893 0.3040424806 -3.20519465 -2.26613982 -2.17170618 -0.14174695 -3.07503316 -12.2900761 2.72333659 4.15371004 2.89667406 -2.42947538 -9.75444628 -0.42180433 -0.65054601 6.74493804 7.55100225 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 939-48-0 13654 144211813 A A Propan-2-yl benzoate CC(C)OC(=O)c1ccccc1 Tox21_301496 -NCGC00256253-01 196727973 tox21-ror-cho-viability-p1 set3 -2.2 30.6067041936 -47.806770604 4 -43.806770604 0.9999999999 0.8123313113 0.006065661 -4.33937529 6.72751181 9.80327939 15.9387187 7.69147711 -0.98170843 3.40016698 -1.60973168 -2.72334619 1.78983057 -5.50213532 -1.40152293 -14.04949765 -18.84056165 -36.50564217 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 620-40-6 24321 144212656 A A Tribenzylamine C(N(Cc1ccccc1)Cc2ccccc2)c3ccccc3 Tox21_302339 -NCGC00255658-01 196727975 tox21-ror-cho-viability-p1 set3 4 0.0544826733 6.9101687519 -5.4101687519 1.5 4.9549173134 0.4214115591 0.2519481955 0.69692052 -13.25847396 -8.94488709 -0.10221812 -5.97876479 -0.65877262 2.33803223 4.19951609 -0.33697097 1.11372721 1.26139449 0.39177491 -1.58111505 -1.97060731 8.07345684 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-41-5 62334 144211721 A 2-tert-Butylcyclohexyl acetate O=C(C)OC1CCCCC1C(C)(C)C Tox21_301404 -NCGC00255313-01 196728369 tox21-ror-cho-viability-p1 set3 4 3.8570778872 8.5168129919 -1.0168129919 7.5 0.7 0.4015788137 0.2714549039 3.0531336 -4.59734416 -0.98485115 -3.45874562 -1.59564568 -3.00005718 8.57546185 -2.55725824 1.23502025 0.92306623 3.56353341 0.74136373 9.9550487 6.61787526 4.70708397 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 540-88-5 10908 144211625 F tert-Butyl acetate CC(=O)OC(C)(C)C Tox21_301308 -NCGC00018221-08 196728784 tox21-ror-cho-viability-p1 set3 4 15.5428804468 -12.9808394399 9.5 -3.4808394399 2.7202212143 0.4253401226 0.2475273363 0.79464449 20.15555129 16.11964006 2.89264653 5.04667842 6.42714561 5.68110327 14.30485492 15.62105491 8.85303195 5.70582373 10.23367123 -0.07750097 -2.22466542 -3.3173662 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00163927-04 196726791 tox21-ror-cho-viability-p1 set3 4 -0.48096794 -4.09135598 -5.09498351 -0.08630617 -0.34895123 -0.45558476 1.25051857 2.5634892 1.85257708 0.33701489 4.05973734 0.34376937 1.33543987 0.02648221 -0.12272756 1.203E-9 2.6889999999E-9 6.014E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003759 0.000008404 0.000018789999999 0.00004202 0.000093959999999 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00092377-04 196726367 tox21-ror-cho-viability-p1 set3 4 0.0084126743 -15.972834956 11 -4.972834956 0.2 0.4172211249 0.2570318512 7.80569254 1.76489403 6.8514486 2.17311219 0.67503426 -1.18017449 -3.11803174 4.64886721 4.50202074 2.6090818 -1.68578515 -1.73532847 -4.33583208 -5.39402913 0.32708452 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 105219-56-5 65889 170466052 A Apafant Clc1ccccc1C4=NCc2nnc(C)n2c3sc(cc34)CCC(=O)N5CCOCC5 Tox21_113594_1 -NCGC00166245-04 196726374 tox21-ror-cho-viability-p1 set3 -1.2 13.3331902297 -47.734584799 -0.9578809039 -48.6924657029 4.4494702849 0.8625685205 0.0014998827 -6.30048392 -0.58491549 4.96074611 -1.12513288 -8.51183023 4.26589555 3.37736449 -9.78728117 -1.50206991 3.05065096 -10.82839398 5.47606937 0.55795055 -54.10273967 -45.98252826 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1811-28-5 9849425 170466523 A Proflavin hemisulfate O=S(=O)(O)O.Nc1cc2nc3cc(N)ccc3cc2cc1.Nc1cc2nc3cc(N)ccc3cc2cc1 Tox21_112371_1 -NCGC00163818-04 196726380 tox21-ror-cho-viability-p1 set3 4 54.4826732819 -30.959306836 0 -30.959306836 1.6258976909 0.5362991727 0.1466469099 -13.75670072 -0.51334554 6.57060942 5.52535517 -12.38453792 3.59305979 4.59731377 5.57671594 0.93384204 0.56564306 1.3181135 0.10828882 -6.4546828 -11.31434928 -22.46608903 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00253741-01 196705360 tox21-ror-cho-viability-p1 set1 4 1.53219179 0.91926012 2.90970094 0.45521316 0.30489946 2.44651069 0.45073719 -0.18145926 0.24213081 0.39776418 5.61238306 1.33316803 0.04586706 4.48240913 1.57794275 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62140-67-4 6454351 170466668 A Ac Methyl 5-(ethylsulfonyl)-o-anisate O=S(=O)(CC)c1cc(c(OC)cc1)C(=O)OC Tox21_113858 -NCGC00015619-13 196704938 tox21-ror-cho-viability-p1 set1 -3 33.4914596268 -54.268908661 -1.208647607 -55.477556268 4.9549173134 0.9765053026 1.204E-7 0.66156603 -0.34417176 -1.21273904 -0.99036452 -0.65659457 0.45181108 -0.90813865 -5.46191191 -0.77825173 -1.44709589 0.85517918 0.78597217 -4.64579869 -6.40573082 -46.23129689 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79794-75-5 3957 170464867 A Loratadine Clc3cc4CCc1cccnc1C(=C2/CCN(CC2)C(=O)OCC)\c4cc3 Tox21_110185_1 -NCGC00178086-03 196704956 tox21-ror-cho-viability-p1 set1 4 4.47411016 -2.55855883 -1.13164234 0.63484007 -1.65111002 -1.71565479 3.52743474 -3.39013961 -3.69273797 0.12861177 -2.40796618 -0.06287616 -5.26445108 -1.13352957 2.48391502 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5451-09-2 123608 170464700 Z Aminolevulinic acid hydrochloride Cl.NCC(=O)CCC(=O)O Tox21_111426_1 -NCGC00247686-01 196705353 tox21-ror-cho-viability-p1 set1 4 -3.71814369 0.46464136 -0.77928106 0.34841199 -3.07548124 -4.27169396 0.34684736 -0.39527495 0.16415316 -0.77302328 0.08450018 0.03346966 -3.13299301 -0.26421928 2.17934192 1.309E-9 2.928E-9 6.547E-9 1.4639999999E-8 3.2739999999E-8 7.32E-8 1.637E-7 3.6599999999E-7 8.184E-7 0.00000183 0.0000040919999999 0.00000915 0.00002046 0.00004575 0.00010229999999 90736-23-5 62300 144206389 A A N-(4-Fluorophenyl)-N-[1-(2-phenylethyl)-4-piperidyl] propanamide Fc1ccc(cc1)N(C3CCN(CCc2ccccc2)CC3)C(=O)CC Tox21_112836 -NCGC00247731-01 196705373 tox21-ror-cho-viability-p1 set1 4 -4.17873757 1.16802058 4.27035985 -0.06918908 0.33478696 -1.13774057 -1.08921947 4.68015142 0.66513507 3.13952751 0.87331686 -0.50571592 -2.71083824 -2.80389173 -4.54580267 1.163E-9 2.601E-9 5.816E-9 1.301E-8 2.908E-8 6.503E-8 1.454E-7 3.2509999999E-7 7.27E-7 0.0000016259999999 0.0000036349999999 0.0000081279999999 0.00001818 0.00004064 0.00009088 36415-61-9 197059 144206450 A A Ibogaine hydrochloride Cl.COc4ccc5nc1c(CC[N@]3C[C@H]2C[C@@H]1[C@@H]3[C@H](C2)CC)c5c4 Tox21_112897 -NCGC00259672-01 196705768 tox21-ror-cho-viability-p1 set1 4 -0.41151709 10.30405058 1.56383957 0.33259096 0.06684607 1.65895056 0.84593874 -1.1901988 1.51471392 -0.01560736 -7.01458639 1.49268189 0.05280331 1.11765831 -1.79179053 1.167E-9 2.609E-9 5.835E-9 1.305E-8 2.917E-8 6.524E-8 1.459E-7 3.262E-7 7.294E-7 0.000001631 0.0000036469999999 0.0000081549999999 0.00001823 0.00004077 0.00009117 828-00-2 13232 144209321 D Dimethoxane O=C(C)OC1CC(C)OC(C)O1 Tox21_202123 -NCGC00259068-01 196705777 tox21-ror-cho-viability-p1 set1 4 34.271392867 -16.129804188 -1 -17.129804188 4.9549173134 0.4444655516 0.2293952159 -0.34140009 -0.65054788 0.08265465 -3.39660256 2.18182507 -2.03084049 -1.54634274 -1.64556091 10.81177176 -14.80614975 -6.50396785 0.70611439 2.83227936 -13.91887218 -15.94150349 1.177E-9 2.6319999999E-9 5.886E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.000003679 0.000008225 0.00001839 0.00004113 0.00009196 304-28-9 9352 144208716 A A 2,7-Acetylaminofluorene CC(=O)Nc1ccc2c3ccc(cc3Cc2c1)NC(C)=O Tox21_201518 -NCGC00259220-01 196705779 tox21-ror-cho-viability-p1 set1 4 -5.17961514 4.2292038 -0.37729951 -5.56328573 6.19706063 5.99533854 4.55363096 3.26848814 0.10820516 -5.49243362 0.43132017 4.17333512 0.54785515 4.40094424 5.00589894 1.19E-9 2.66E-9 5.949E-9 1.3299999999E-8 2.9739999999E-8 6.6509999999E-8 1.487E-7 3.325E-7 7.436E-7 0.000001663 0.000003718 0.000008314 0.00001859 0.00004157 0.00009295 57-10-3 985 144208869 A A Hexadecanoic acid O=C(O)CCCCCCCCCCCCCCC Tox21_201671 -NCGC00259882-01 196705781 tox21-ror-cho-viability-p1 set1 4 3.55404197 -1.21764352 1.78224119 1.18969364 3.0883329 -7.81065076 -0.49720287 0.16568819 4.43756748 10.5850205 -6.67290748 2.79570615 -0.39270058 0.62549709 3.68399631 1.3799999999E-9 3.085E-9 6.8989999999E-9 1.543E-8 3.45E-8 7.714E-8 1.725E-7 3.8569999999E-7 8.624E-7 0.000001928 0.000004312 0.0000096419999999 0.000021559999999 0.00004821 0.00010779999999 69655-05-6 50599 144209531 A A 2',3'-Dideoxyinosine O=C3NC=Nc2c3ncn2[C@H]1CC[C@@H](CO)O1 Tox21_202333 -NCGC00090952-07 196704975 tox21-ror-cho-viability-p1 set1 4 -1.33616572 2.63616403 2.37313985 -0.0017842 0.6887228 0.90506572 5.33539797 0.81405883 -1.6657723 2.95235647 0.03668142 4.25991575 0.09119919 2.57612349 1.68592886 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00165976-02 196704962 tox21-ror-cho-viability-p1 set1 4 -0.22439291 -0.42328982 -1.05465249 0.25391039 -0.56583026 5.58724067 3.05627461 4.88785249 -0.87886783 5.22933051 1.04432226 -1.1119616 3.81498488 4.08063116 4.01437212 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 111-01-3 8089 170465658 F Squalane CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C Tox21_112277_1 -NCGC00174007-04 196704964 tox21-ror-cho-viability-p1 set1 4 -4.4018988 -2.14804759 4.31030599 -4.34624717 -5.23370914 -0.00482425 1.58508134 1.00502531 -0.92461634 -1.88535607 -0.73202972 1.70631769 1.59276366 2.18868285 0.31766195 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33401-94-4 6434144 170465676 A Pyrantel tartrate O=C(O)[C@H](O)[C@@H](O)C(=O)O.CN2CCCN=C2/C=C/c1cccs1 Tox21_113347_1 -NCGC00253724-01 196704972 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -25.4435485679 2 -23.4435485679 4.5044702849 0.9101936886 0.0001889487 4.98822066 0.29463428 1.67117473 -0.74257421 1.59322013 4.61287455 1.3514051 2.72168147 2.35278559 1.0360137 5.00671692 0.82726535 1.02655802 -0.49762756 -18.70295714 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1584-62-9 74106 170466746 D F 2-Bromo-4'-chloro-2'-(2-fluorobenzoyl)acetanilide Clc1cc(c(NC(=O)CBr)cc1)C(=O)c2ccccc2F Tox21_113843 -NCGC00182982-01 196725345 tox21-ror-cho-viability-p1 set3 4 0.0066824247 -18.9923107639 7 -11.9923107639 2.3531167061 0.8036769957 0.0073630124 6.73350294 9.36797723 0 0 -11.04077466 -15.72878602 -10.88278712 -10.81737038 -19.16025897 -13.0175748 -14.14175721 -7.54905327 -15.00532888 -7.55771298 -6.67556254 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 120958-90-9 129319 144206834 A A Dalcotidine CCNC(=O)NCCCOc2cc(CN1CCCCC1)ccc2 Tox21_113283 -NCGC00260053-01 196724928 tox21-ror-cho-viability-p1 set3 -2.2 12.0768664624 -35.9208161744 -4 -39.9208161744 3.5117481694 0.8580029447 0.0027597806 -10.83081537 -5.64432432 -6.5462548 -3.28963979 -0.84233723 -2.97065402 -9.90393878 0.08486366 2.34629936 -4.3742438 -0.0689488 -4.46039526 -15.22326203 -36.96371868 -8.99272871 5.979E-10 1.337E-9 2.989E-9 6.685E-9 1.4949999999E-8 3.342E-8 7.4739999999E-8 1.6709999999E-7 3.7369999999E-7 8.356E-7 0.000001868 0.000004178 0.000009342 0.000020889999999 0.00004671 8003-22-3 6731 144209702 A A D & C Yellow 11 O=C4c1ccccc1C(=O)C4c2ccc3ccccc3n2 Tox21_202504 -NCGC00260407-01 196724933 tox21-ror-cho-viability-p1 set3 4 2.30102854 -0.70396954 -1.84257266 -3.97104034 -3.17526974 0.13484074 3.64216436 0.44809797 0.52292489 -3.14034422 3.74540989 -7.98060662 1.28009556 -4.34893516 5.90875891 5.885E-10 1.3159999999E-9 2.943E-9 6.58E-9 1.471E-8 3.29E-8 7.3559999999E-8 1.645E-7 3.678E-7 8.225E-7 0.0000018389999999 0.000004112 0.000009195 0.000020559999999 0.00004598 629-72-1 12394 144210059 F Fns 1-Bromopentadecane BrCCCCCCCCCCCCCCC Tox21_202861 -NCGC00260236-01 196724953 tox21-ror-cho-viability-p1 set3 4 1.2221963205 -5.57373736 2.5 -3.07373736 3.0654483358 0.3664587823 0.3218222534 -4.84695319 1.72940656 0.83209404 -1.08519732 6.15877559 2.89356458 7.15986474 7.20894883 2.27118791 -2.87490952 -1.04093209 -5.0614478 -2.58871569 -1.62864108 8.98380843 1.182E-9 2.6429999999E-9 5.91E-9 1.322E-8 2.955E-8 6.608E-8 1.4779999999E-7 3.304E-7 7.388E-7 0.0000016519999999 0.0000036939999999 0.0000082599999999 0.000018469999999 0.000041299999999 0.00009235 857841-32-8 23079882 144209886 FNS 1-Butyl-3-methylpyridinium trifluoromethanesulfonate Cc1ccc[n+](CCCC)c1.FC(F)(F)S([O-])(=O)=O Tox21_202688 -NCGC00095158-04 196725350 tox21-ror-cho-viability-p1 set3 4 0.0007497804 16.3359417999 -15.3359417999 1 4.9549173134 0.4729095082 0.2038604961 -11.5299515 0 1.21977552 -0.12493092 -9.05036226 3.20939855 1.17534056 3.76769655 -2.1715226 -2.05589867 2.76092695 3.31439938 1.65860818 4.698666 1.99893313 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3366-95-8 71815 170466630 A Secnidazole Cc1ncc([N+]([O-])=O)n1CC(O)C Tox21_111457_1 -NCGC00095099-05 196725354 tox21-ror-cho-viability-p1 set3 4 0.0530803864 6.6318288319 -6.6318288319 0 3.0654483358 0.4664884926 0.2095968627 0 -11.35985736 -7.92148925 -6.06915717 -6.70981894 -8.87610262 1.57745051 -1.17734989 0.28748761 -2.6440866 2.42073818 -7.35086257 2.66563022 3.34986447 2.15594841 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 171599-83-0 62853 170465285 A Sildenafil citrate CN1CCN(CC1)S(=O)(=O)c4cc(C3=Nc2c(CCC)nn(C)c2C(=O)N3)c(OCC)cc4.O=C(O)C(O)(CC(=O)O)CC(=O)O Tox21_111717_1 -NCGC00159446-03 196725361 tox21-ror-cho-viability-p1 set3 4 33.4914596268 -23.5008057 3.5 -20.0008057 2.9022712143 0.4359725966 0.2375633291 0 0.86131651 -6.17153864 5.18796532 3.37452646 4.9214348 2.92389224 13.13805446 -3.5301858 9.806124 8.53962988 4.38537993 -0.75239082 -0.00709906 -13.33400475 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 339-43-5 9564 170466249 A Carbutamide Nc1ccc(cc1)S(=O)(=O)NC(=O)NCCCC Tox21_111673_1 -NCGC00357070-01 196723760 tox21-ror-cho-viability-p1 set3 1.4 0.0096885416 15.983303256 -16.483303256 -0.5 1.4641 0.7474510107 0.0203115412 -15.63956707 -15.81941938 -7.43364703 -10.45007098 -1.90257681 -2.54142853 4.99807088 2.59213778 -4.87588704 -1.24087577 -5.68103395 -2.51053238 2.88416424 1.03528663 -0.38734888 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-58-1 7818 251919846 Fns 1,4-Dimethylpiperazine CN1CCN(C)CC1 Tox21_303778 -NCGC00091602-02 196722938 tox21-ror-cho-viability-p1 set3 4 -2.41460113 -5.70488636 -2.32311619 -0.12106495 -1.93232279 -5.61523129 0.29430442 -1.3478734 -0.35060785 -6.2689259 -5.72168541 -8.06365865 -5.79362158 -1.56978836 -8.65509555 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00168262-02 196722951 tox21-ror-cho-viability-p1 set3 4 0.0288348643 35.633310136 -23.633310136 12 0.3 0.5896225427 0.1187241139 -16.36109178 -13.23134729 0 -14.57838385 0 0 0 0 -12.92056855 10.22477556 8.53849756 8.40375733 5.65698135 10.17456607 -8.07856032 1.4959999999E-9 3.346E-9 7.4819999999E-9 1.6729999999E-8 3.7409999999E-8 8.366E-8 1.8709999999E-7 4.183E-7 9.353E-7 0.000002091 0.000004676 0.00001046 0.000023379999999 0.00005228 0.0001169 72739-14-1 11956149 144206369 A C (-)- (S)-Cathinone hydrochloride Cl.O=C([C@H](C)N)c1ccccc1 Tox21_112816 -NCGC00164127-03 196723343 tox21-ror-cho-viability-p1 set3 -2.1 30.6378586933 -66.5009200565 -1.961742339 -68.4626623955 1.6258976909 0.9856330452 6.9E-9 -0.71727778 -4.17283691 -1.20449471 1.22606932 -1.80291522 -2.76469023 -2.68173814 -1.12270574 0.13292834 -6.5301417 -5.20143025 -10.00546086 -22.37105723 -40.90668001 -63.39135407 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00090773-04 196714609 tox21-ror-cho-viability-p1 set2 4 0.0878441774 -5.1691644399 2.5 -2.6691644399 4.9549173134 0.3659462278 0.3225787719 3.30568319 2.8191487 1.06902804 0.74694745 2.24754 3.6133866 -7.2243037 -5.97536868 2.18316093 1.27897203 2.70409483 -4.72596555 -5.86782474 -2.64456793 1.64249948 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00016323-09 196713797 tox21-ror-cho-viability-p1 set2 4 23.7101376556 -18.3294442039 -0.5 -18.8294442039 0.4 0.6823881695 0.046873705 1.4115131 1.09898036 -3.10678007 1.49942508 -2.77364465 -3.52799936 -2.8002992 -3.42218739 -7.11439872 -2.68952381 -5.53033411 -2.62588348 -7.88720511 -7.12808577 -14.85787017 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80-32-0 6634 170466574 A Sulfachloropyridazine O=S(=O)(Nc1ccc(Cl)nn1)c2ccc(N)cc2 Tox21_110372_1 -NCGC00094532-06 196713800 tox21-ror-cho-viability-p1 set2 4 -8.06125805 -9.22439171 -4.70404997 -5.45992844 -4.41517848 -1.30507082 -5.62753079 -0.03347658 -5.66520903 -1.88629608 -1.45209208 -1.88451418 -3.27795509 -0.49638023 -4.94801071 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00164168-02 196714619 tox21-ror-cho-viability-p1 set2 4 0.90516483 0.68882969 1.08975157 0.75584746 0.95958687 0.23511537 1.4775051 0.79794366 -0.07702733 1.93909425 0.27832747 2.72638486 1.54130788 -0.15713246 0.47855755 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00254122-01 196714626 tox21-ror-cho-viability-p1 set2 4 1.31752996 3.13292815 2.35276047 -0.41157074 1.36825851 2.27821888 0.32537079 0.32141182 2.32839972 0.74075662 0.29088212 4.29580502 6.92273738 3.52312037 8.75139195 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 822-06-0 13192 144210481 D Fns 1,6-Diisocyanatohexane O=C=N/CCCCCC\N=C=O Tox21_300161 -NCGC00254431-01 196714627 tox21-ror-cho-viability-p1 set2 4 -0.14338971 1.47216249 1.99898998 -0.42278756 -1.75389486 -0.22291313 -0.19601135 -0.93412494 -0.72560878 -1.30799396 -0.62101857 2.75722677 5.07471 -0.87782628 1.73482824 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4449-51-8 442972 144210949 A A Cyclopamine CC4=C5C[C@@H]1[C@@]6(C)CC[C@H](O)CC6=CC[C@H]1[C@@H]5CC[C@@]24O[C@@H]3C[C@H](C)CN[C@H]3[C@H]2C Tox21_300632 -NCGC00254534-01 196714628 tox21-ror-cho-viability-p1 set2 4 0.18606593 -0.2932122 -1.66069876 3.15457604 0.6777347 -0.90701031 4.43240759 -0.4619769 2.64617297 -0.06778785 -0.64926007 5.56601391 6.16229236 5.85768904 4.96969084 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 197077-55-7 9867605 144210769 A A UK-333747 [O-][n+]1cccc(c1)c4nnc(COC)n4c2c(Cl)c(Cl)cc3NC(=O)C(=O)Nc23 Tox21_300451 -NCGC00254810-01 196715042 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -18.5653927039 -1 -19.5653927039 4.9549173134 0.6632182455 0.056882022 0.72933701 1.75090146 -2.11447584 -0.32384858 0.23022262 0.36798021 -5.34931531 -5.14963585 -5.18462636 -0.17749053 0.43983711 -4.84627183 2.90539353 -0.46111974 -16.30449392 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-14-5 31200 144211223 D Fenitrothion S=P(Oc1cc(C)c(cc1)[N+]([O-])=O)(OC)OC Tox21_300906 -NCGC00254588-01 196715048 tox21-ror-cho-viability-p1 set2 4 0.08208274 -1.52742242 0.13658399 -4.25933711 -6.18556828 -4.45146536 -7.92141816 -5.11799321 0.05865727 5.01805504 -10.54878458 -22.25872654 -2.05448586 -2.62061526 -0.60440286 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.00000369 0.000008252 0.000018449999999 0.000041259999999 0.00009226 57966-95-7 5364079 144210997 A C Cymoxanil N#C/C(=N\OC)C(=O)NC(=O)NCC Tox21_300680 -NCGC00258370-01 196715443 tox21-ror-cho-viability-p1 set2 4 -0.90592236 -1.52033866 -0.49725986 -0.05536454 -1.75320573 -0.90563792 0.55188027 0.77995499 0.81821069 0.81311563 -0.72815783 -0.07133188 -0.45069424 0.73798905 1.20949877 1.193E-9 2.667E-9 5.964E-9 1.3339999999E-8 2.982E-8 6.668E-8 1.491E-7 3.3339999999E-7 7.455E-7 0.0000016669999999 0.000003728 0.000008335 0.00001864 0.00004168 0.00009319 15318-45-3 27200 144208014 A A Thiamphenicol O=S(C)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_200816 -NCGC00258150-01 196715446 tox21-ror-cho-viability-p1 set2 -2.2 61.130564862 -50.6856185158 -3.2513808949 -53.9369994107 2.3331733767 0.9565231541 0.0000039029 -3.08297233 -4.92939233 -3.71275263 -4.6270879 -2.98917553 -3.96801184 -1.3338075 0.64022085 1.65244576 -3.52243488 -5.33350136 -5.83608877 -7.68811496 -15.82000839 -40.86136319 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 219947-93-0 10250129 144207794 A A 1-Dodecyl-3-methylimidazolium hexafluorophosphate F[P-](F)(F)(F)(F)F.C[n+]1ccn(CCCCCCCCCCCC)c1 Tox21_200596 -NCGC00254751-01 196714648 tox21-ror-cho-viability-p1 set2 4 0.62890885 0.60198143 3.19282157 0.04416491 -0.3999874 3.58794523 1.54312044 -0.30903398 1.4905438 2.37961763 0.06345514 0.23056718 2.32545128 0.07387493 -5.54985453 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 709-98-8 4933 144211165 A A Propanil Clc1ccc(NC(=O)CC)cc1Cl Tox21_300848 -NCGC00259755-01 196709065 tox21-ror-cho-viability-p1 set2 4 -1.71439986 -2.04386044 -0.45563238 -20.25091654 -2.32885161 0.80337976 0.66586879 -1.36693733 -0.08567941 -0.92387432 -0.07039417 -0.99290452 0.12858598 8.0151296 2.30208356 1.158E-9 2.589E-9 5.79E-9 1.2949999999E-8 2.8949999999E-8 6.473E-8 1.447E-7 3.2369999999E-7 7.237E-7 0.000001618 0.000003619 0.000008091 0.000018089999999 0.00004046 0.000090469999999 822-06-0 13192 144209404 FC 1,6-Diisocyanatohexane O=C=N/CCCCCC\N=C=O Tox21_202206 -NCGC00259497-01 196709057 tox21-ror-cho-viability-p1 set2 4 -0.82011496 -2.17436846 -0.95625856 -3.97427351 -1.69032534 -0.79961943 -7.09956389 -1.18709932 -0.39466002 -6.97409956 -0.82435801 -1.09604721 -0.49208923 -0.12532752 0.2665836 1.204E-9 2.692E-9 6.02E-9 1.346E-8 3.01E-8 6.7309999999E-8 1.5049999999E-7 3.365E-7 7.5249999999E-7 0.000001683 0.000003763 0.000008413 0.000018809999999 0.000042069999999 0.00009406 125-33-7 4909 144209146 A A Primidone CCC1(C(=O)NCNC1=O)c2ccccc2 Tox21_201948 -NCGC00259327-01 196709062 tox21-ror-cho-viability-p1 set2 4 5.59657857 0.37238991 -0.08800173 0.38592282 -2.15991896 1.380938 0.92366721 1.24802341 0.16430732 0.70455493 1.69248896 0.3368592 3.79890717 1.92099568 1.81298773 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.962E-8 6.622E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 111-20-6 5192 144208976 A A Decanedioic acid O=C(O)CCCCCCCCC(=O)O Tox21_201778 -NCGC00259095-01 196709063 tox21-ror-cho-viability-p1 set2 4 60.6335692464 -14.600163612 0.5 -14.100163612 4.5044702849 0.4898853388 0.1883482674 0.10537454 -2.08629864 0.4281856 -1.59357227 -0.040869 8.05829394 -1.68742301 7.47580732 -1.36515912 -2.77378306 -2.19006885 -2.04905771 1.29989656 -1.54632907 -12.16680301 1.172E-9 2.621E-9 5.8609999999E-9 1.311E-8 2.931E-8 6.553E-8 1.465E-7 3.277E-7 7.327E-7 0.0000016379999999 0.0000036629999999 0.000008192 0.00001832 0.00004096 0.00009159 95-95-4 7271 144208743 A A 2,4,5-Trichlorophenol Oc1cc(Cl)c(Cl)cc1Cl Tox21_201545 -NCGC00259174-01 196709463 tox21-ror-cho-viability-p1 set2 4 0.5717083 0.58149536 -1.62352499 -0.01973014 3.9529677 2.55475145 -0.57504284 0.46939258 2.84601886 1.55873423 4.58233752 2.48033204 -2.72312584 3.86430311 4.51319289 1.1999999999E-9 2.684E-9 6.001E-9 1.3419999999E-8 3E-8 6.7089999999E-8 1.5E-7 3.355E-7 7.5009999999E-7 0.000001677 0.0000037509999999 0.000008387 0.00001875 0.00004193 0.00009376 123-96-6 20083 144208823 A A 2-Octanol CC(O)CCCCCC Tox21_201625 -NCGC00259525-01 196709465 tox21-ror-cho-viability-p1 set2 4 68.0319836447 -11.8775515759 0 -11.8775515759 4.9549173134 0.6800697051 0.0487588746 -0.51877826 1.16085013 1.8256615 1.25077847 -0.69932594 -0.17680464 -4.85950978 0.44259104 -1.347052 0.31573161 -1.55759471 0.72170926 1.60212576 -0.69765343 -9.48129298 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.552E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.0000036629999999 0.00000819 0.00001831 0.00004095 0.000091569999999 1809-19-4 6327349 144209174 I F Dibutyl phosphite CCCCOP(=O)OCCCC Tox21_201976 -NCGC00258853-01 196709473 tox21-ror-cho-viability-p1 set2 4 -0.32034903 -8.00540226 0.34016052 -2.49182674 1.67671686 -0.78505778 -4.14614208 -0.69351353 -0.18336634 -1.89407406 -2.30955541 -2.81986717 -2.86702011 0.15398151 -1.41449472 1.164E-9 2.603E-9 5.821E-9 1.302E-8 2.911E-8 6.508E-8 1.4549999999E-7 3.254E-7 7.2769999999E-7 0.0000016269999999 0.0000036379999999 0.000008136 0.00001819 0.00004068 0.000090959999999 505-52-2 10458 144208499 A A Tridecanedioic acid O=C(O)CCCCCCCCCCCC(=O)O Tox21_201301 -NCGC00258977-01 196709483 tox21-ror-cho-viability-p1 set2 4 1.22507855 2.69876187 2.51809156 1.5911829 0.34738201 1.03654269 0.15037802 0.42917973 3.03071944 1.2295651 2.77823065 -0.98736669 3.93966668 4.16795581 3.11525435 1.166E-9 2.6069999999E-9 5.8279999999E-9 1.303E-8 2.9139999999E-8 6.516E-8 1.457E-7 3.2579999999E-7 7.286E-7 0.000001629 0.0000036429999999 0.0000081449999999 0.00001821 0.00004073 0.00009107 87-62-7 6896 144208624 A Fc 2,6-Dimethylaniline Cc1cccc(C)c1N Tox21_201426 -NCGC00091205-03 196709484 tox21-ror-cho-viability-p1 set2 4 12.9211778545 -7.1552276159 0 -7.1552276159 2.4063783767 0.6695273677 0.0542096026 -0.4496528 0.14537462 4.84947557 0.74025618 -0.01318849 -2.09091909 2.02604885 -3.18755714 0.54167451 -0.48284707 -0.32454826 -0.49505909 -4.08267382 -6.05812791 -7.21268968 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00256062-01 196709877 tox21-ror-cho-viability-p1 set2 4 -2.50862737 1.37895508 1.14526345 -0.18974059 -1.81976787 -1.7481453 -4.64045372 -3.97125377 -0.82509523 -1.35929342 1.2889192 -3.0812799 0.16161862 -2.95210854 -0.46594872 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2315-68-6 16846 144211922 A Ac Propyl benzoate O=C(OCCC)c1ccccc1 Tox21_301605 -NCGC00255450-01 196709884 tox21-ror-cho-viability-p1 set2 -1.2 19.3311819617 -29.116671396 -3.689916948 -32.806588344 1.8851180601 0.9230221254 0.0000847682 -6.51989001 -6.95714466 -0.57493079 -4.78585838 -2.64178805 -4.36995383 -0.84026334 -3.27540802 -6.69953198 -2.12308244 -4.65589131 -3.41240856 -21.86276038 -25.56372654 -31.08882362 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2610-11-9 44135445 144211855 Ac C.I. Direct Red 81 disodium salt [Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)/N=N/c2ccc(cc2)/N=N/c3c(O)c4ccc(cc4cc3S([O-])(=O)=O)NC(=O)c5ccccc5 Tox21_301538 -NCGC00256208-01 196709887 tox21-ror-cho-viability-p1 set2 4 2.8463345 0.83772257 1.02825681 0.18809651 2.72799297 1.05222701 2.12182939 -0.67153886 -0.67117966 2.14400625 2.00648124 -0.45536255 2.38092346 2.15256449 5.71440703 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1728-46-7 102681 144212598 A Ac 2-tert-Butylcyclohexanone O=C1CCCCC1C(C)(C)C Tox21_302281 -NCGC00255779-01 196709899 tox21-ror-cho-viability-p1 set2 4 4.3277125691 6.4391666559 -3.9391666559 2.5 1.4780888099 0.567552566 0.1387022573 -6.27841353 -0.54048281 -1.20330543 -4.90857899 -4.0744403 -8.28263888 -4.76762875 -3.01028027 -1.072669 -4.89319654 0.01240322 0.26047836 2.16829325 2.29960756 -4.82648821 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52-85-7 5859 144212224 A A Famphur O=S(=O)(N(C)C)c1ccc(OP(=S)(OC)OC)cc1 Tox21_301907 -NCGC00255512-01 196728126 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -23.4794814479 -2 -25.4794814479 4.4494702849 0.7170378941 0.0311265175 0.14482488 -5.28399833 -1.30297842 -6.24260446 -1.15956214 0.63747087 3.16587565 -5.3639391 -1.0909527 -0.54169499 -1.57751464 -5.03627449 -4.06879433 -2.82392406 -18.31623454 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 485-31-4 10234 144211871 A B Binapacryl O=C(Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(C)CC)\C=C(/C)C Tox21_301554 -NCGC00256236-01 196728109 tox21-ror-cho-viability-p1 set3 2.2 8.8183980973 37.7560636001 0.2439363999 38 1.0999999999 0.8733834795 0.0016810115 -1.59042474 4.29373663 -0.65732311 -4.14492806 -4.380053 -3.774409 10.59417658 4.64883519 4.8486289 3.23305222 6.97508965 18.18604934 26.48040885 31.77537677 -18.11045614 1.0909999999E-9 2.44E-9 5.4559999999E-9 1.22E-8 2.7279999999E-8 6.0999999999E-8 1.3639999999E-7 3.05E-7 6.82E-7 0.0000015249999999 0.00000341 0.000007625 0.00001705 0.00003813 0.00008525 64-72-2 54682468 144212027 I I Chlortetracycline hydrochloride Cl.NC(=O)C1=C(O)[C@@H](N(C)C)[C@@H]2C[C@H]4C(=C(O)[C@]2(O)C1=O)C(=O)c3c(O)ccc(Cl)c3[C@@]4(C)O Tox21_301710 -NCGC00255594-01 196728114 tox21-ror-cho-viability-p1 set3 4 0.0172289341 8.290228252 -1.290228252 7 4.9549173134 0.3735982275 0.2974589258 0.23759157 -0.95432137 -2.89257437 -0.68283245 11.46637064 5.34905242 -3.57519021 11.07109561 -1.06639343 13.74310505 8.29978879 11.57951448 7.43999387 8.51966217 3.7728323 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120928-09-8 86356 144211540 F Fc Fenazaquin CC(C)(C)c1ccc(cc1)CCOc3ncnc2ccccc23 Tox21_301223 -NCGC00256091-01 196728117 tox21-ror-cho-viability-p1 set3 4 -1.71626974 -1.93649058 0.58777934 -1.53051596 0.66726525 2.44003638 5.08766038 1.72922532 1.6104783 1.84668306 3.06539816 0.22507315 -1.01242497 -1.82664225 5.54839115 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1484-84-0 15144 144212005 A A 2-(Piperidin-2-yl)ethanol OCCC1CCCCN1 Tox21_301688 -NCGC00256185-01 196728127 tox21-ror-cho-viability-p1 set3 4 61.130564862 -18.8543930319 3 -15.8543930319 3.6772481694 0.6785468723 0.0486608493 0.81305897 9.86504747 0.48655464 6.11820403 1.93717032 -0.44065948 6.47849583 3.73231356 1.02951397 3.04030766 3.17884501 1.1512069 0.39953117 -0.67602534 -12.37866086 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-20-4 66573 144211589 A A 9-Ethyl-3-nitro-9H-carbazole [O-][N+](=O)c2cc3c1ccccc1n(CC)c3cc2 Tox21_301272 -NCGC00164168-02 196728132 tox21-ror-cho-viability-p1 set3 4 0.80517919 5.1193955 3.00954089 5.89082273 6.20198844 1.29600206 1.64450826 6.91504006 4.72978935 1.18684993 0.50162161 0.94379332 3.63974837 1.58459581 -1.84131695 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00255813-01 196728526 tox21-ror-cho-viability-p1 set3 4 1.78449628 -1.57068455 1.09553592 -0.36277624 0.08497368 -0.09078939 1.75858875 1.33216429 2.29341966 1.47036272 1.59885928 -2.53092664 -1.69713365 -1.70128484 -0.93892675 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15676-16-1 5355 144212522 F A (RS)-(+/-)-sulpiride CCN2CCCC2CNC(=O)c1cc(ccc1OC)S(N)(=O)=O Tox21_302205 -NCGC00255912-01 196728525 tox21-ror-cho-viability-p1 set3 4 1.3685428777 9.5814883759 -3.0814883759 6.5 3.9294729863 0.5511487254 0.1504573845 -0.17432398 -0.10823606 0.03450607 -2.01503463 -2.09644978 -11.31790698 4.26336627 -7.15809998 -8.2791845 4.99149888 5.32058368 7.0796143 8.0509935 5.28638113 1.14320675 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1937-19-5 2734687 144212415 A Aminoguanidine hydrochloride Cl.N=C(N)NN Tox21_302098 -NCGC00091830-04 196728534 tox21-ror-cho-viability-p1 set3 4 0.0968854161 6.9935345079 -2.4935345079 4.5 4.9549173134 0.4770191754 0.2168730271 0.1259625 -3.3872141 -6.24461209 3.74074703 -4.87735401 -4.34093708 8.1700143 5.0670452 -0.63276819 5.7587974 0.53254805 9.29788005 3.49071876 2.92105459 -6.00195673 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00257140-01 196726531 tox21-ror-cho-viability-p1 set3 4 -1.26671667 -0.8511461 -0.52321835 -0.11705231 -2.88848665 -3.23419355 -2.1359185 -4.07816841 3.31070085 -0.33933335 4.67398014 -6.54809561 -1.67249282 -2.90275914 -1.40718727 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 124-17-4 31288 144213372 A A 2-(2-Butoxyethoxy)ethyl acetate CCCCOCCOCCOC(C)=O Tox21_303055 -NCGC00094754-05 196726122 tox21-ror-cho-viability-p1 set3 4 -10.97317356 -0.77940348 1.25803329 -4.54892987 -2.46999203 2.41627222 -0.12066603 0.88453125 -4.464265 -8.31401483 0.23409777 -2.40092835 -4.94884808 2.66843131 2.25134163 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63-98-9 4753 170465322 A Phenacemide O=C(Cc1ccccc1)NC(N)=O Tox21_111325_1 -NCGC00257513-01 196726514 tox21-ror-cho-viability-p1 set3 4 3.94222432 4.48019714 3.93139273 1.02790194 0.18774564 3.79080077 -2.25643057 -12.89626999 -2.38861988 -2.05984796 -4.92496123 2.71629495 -0.38196804 4.74925076 6.7552178 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 116-53-0 8314 144213889 A 2-Methylbutanoic acid CC(CC)C(=O)O Tox21_303584 -NCGC00091695-03 196717459 tox21-ror-cho-viability-p1 set2 4 0.1605262 -1.31488303 1.08711229 2.28941546 1.97212353 2.85768942 3.25637191 1.40605149 4.55217727 2.2836608 0.64169314 1.36971245 -0.03639155 2.47380547 0.26926745 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112-24-3 5565 170465257 Z Triethylenetetramine NCCNCCNCCN Tox21_111162_1 -NCGC00094576-05 196717042 tox21-ror-cho-viability-p1 set2 4 0.03126004 0.08248274 -2.83919833 1.30791414 -2.36907087 -0.83912322 0.35289145 2.08927481 -0.13480994 -1.58715438 0.5506146 -2.08470871 -2.22983979 1.6598945 -3.25079467 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 546-88-3 1990 170465439 Z Acetohydroxamic acid CC(=O)NO Tox21_111301_1 -NCGC00159346-04 196717045 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -18.539116412 -2 -20.539116412 4.9549173134 0.7156829204 0.0317283698 -0.62891071 1.01736089 1.80653812 -3.78133973 -4.78766183 -3.72631778 -5.42911064 -6.40502342 -4.21766209 -1.67460259 0.32244947 -2.35612955 -2.93135553 -3.10016906 -17.53259701 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 91161-71-6 1549008 170465174 A Terbinafine CC(C)(C)C#C\C=C\CN(C)Cc2cccc1ccccc12 Tox21_111591_1 -NCGC00164549-02 196717052 tox21-ror-cho-viability-p1 set2 4 -6.11592187 -8.21802101 -3.26082537 -6.07409775 -1.74926078 -0.30144745 -0.36233587 -0.34421097 -2.41181267 -1.29891644 1.14593722 -1.96695906 -0.03226478 1.10681522 -0.11825923 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 115256-11-6 71329 170465418 A Dofetilide CS(=O)(=O)Nc1ccc(cc1)CCN(C)CCOc2ccc(cc2)NS(C)(=O)=O Tox21_112178_1 -NCGC00262921-01 196717463 tox21-ror-cho-viability-p1 set2 4 -0.87692675 -0.84210519 -0.32734356 2.3042676 7.92451066 7.02704874 4.68386197 0.38248468 2.38160898 3.92176171 7.2244326 3.68138385 1.62111152 3.985207 1.42988119 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 147086-81-5 60924 170466667 F F (4S,6s)-5,6-dihydro-6-methyl-4h-thieno[2,3-b]thiopyran-4-ol 7,7-dioxide O[C@H]2C[C@H](C)S(=O)(=O)c1sccc12 Tox21_113917 -NCGC00167474-04 196717468 tox21-ror-cho-viability-p1 set2 4 -0.32964915 -2.46079142 1.4715092 -1.8263848 8.92689984 -0.32097391 -2.34383461 1.60665813 -1.36302902 -2.07196419 -2.21628658 0.09115471 1.03925564 1.41750469 1.12774837 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 139481-59-7 2541 170466386 A Candesartan O=C(O)c4cccc5nc(OCC)n(Cc1ccc(cc1)c2ccccc2c3nnnn3)c45 Tox21_112478_1 -NCGC00090698-04 196717864 tox21-ror-cho-viability-p1 set2 4 -0.98647293 2.57578967 -8.1232757 3.22841876 6.24830173 2.81694394 3.68258062 -0.02479993 -0.11976243 3.18945901 3.18071341 2.26260234 1.26340751 0.89113455 -0.05647546 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00160484-02 196717866 tox21-ror-cho-viability-p1 set2 4 -6.38645594 -5.88407435 -5.00491001 -5.14814935 -0.1353886 -4.07084669 1.43900129 -2.24614563 -6.61143045 -5.24729969 -2.71592092 1.60902349 -2.91354852 -2.7825611 -1.46637918 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 90-54-0 3275 170466000 A Etafenone CCN(CCOc2ccccc2C(=O)CCc1ccccc1)CC Tox21_111846_1 -NCGC00160537-04 196718287 tox21-ror-cho-viability-p1 set2 4 1.96989505 -0.74897869 -3.9061471 1.26955458 -5.87894558 -3.52750109 -0.36149722 -1.24179356 1.56245492 -3.28070841 2.54010878 -0.29634513 -1.37790603 -4.72324469 -3.63085137 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00256756-01 196718296 tox21-ror-cho-viability-p1 set2 4 29.514190499 -11.09724614 -0.5 -11.59724614 4.9549173134 0.5821691863 0.1261132621 1.48280188 -0.97407176 1.84741005 1.28109955 -1.26668601 -1.32085458 -7.47658872 -1.03352957 1.7922021 -1.31566261 0.86926087 0.52598961 0.08576435 -11.33103845 2.64197822 1.2589999999E-9 2.8149999999E-9 6.294E-9 1.4069999999E-8 3.1469999999E-8 7.036E-8 1.5729999999E-7 3.5179999999E-7 7.8669999999E-7 0.0000017589999999 0.0000039329999999 0.000008795 0.00001967 0.000043979999999 0.00009834 110617-70-4 20641892 144212772 Fns Tetronic 701 OCCOC(C)CN(CCN(CC(C)OCCO)CC(C)OCCO)CC(C)OCCO Tox21_302455 -NCGC00254458-01 196714560 tox21-ror-cho-viability-p1 set2 4 3.84117086 3.53387012 0.06564454 3.45276328 -1.69643092 2.31482153 -0.96737993 2.82320325 2.29367516 2.69625424 3.6494404 1.60059815 3.73837905 -0.45962576 0.73869204 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-93-0 12329 144210681 A A Dimethyl adipate O=C(CCCCC(=O)OC)OC Tox21_300363 -NCGC00254837-01 196714149 tox21-ror-cho-viability-p1 set2 4 10.8707224818 9.0831971159 -7.1994559359 1.88374118 0.5999999999 0.6180502158 0.0858476966 -11.41621328 -3.08814253 -8.72187701 -5.96174494 -5.68503352 -7.60714496 -6.86451142 -5.48285999 -5.09119528 -3.67507937 -7.10869689 -3.04342724 -1.45310816 -0.09688235 -0.34958258 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18467-77-1 65420 144211252 Ac Ac Dikegulac O=C(O)[C@]23O[C@H]1COC(C)(C)O[C@H]1[C@@H]3OC(C)(C)O2 Tox21_300935 -NCGC00090827-04 196714154 tox21-ror-cho-viability-p1 set2 4 -1.27239829 -1.56219953 2.16161165 2.70940671 0.17608143 1.062898 5.15167603 0.12758688 4.85895777 1.38632203 0.43709993 4.94712547 6.83053824 3.96881632 5.65661041 1.188E-9 2.656E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.641E-8 1.4849999999E-7 3.321E-7 7.425E-7 0.0000016599999999 0.000003712 0.0000083009999999 0.00001856 0.000041509999999 0.00009281 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00255041-01 196714375 tox21-ror-cho-viability-p1 set2 4 -3.05314946 -0.05469176 0.67022569 0.51024639 0.61195294 0.21422742 1.64485968 0.15468391 0.38214854 0.29122007 0.87157083 2.71959697 0.55870027 3.46294975 -2.91735636 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 120-36-5 8427 144211460 Ac Fc Dichlorprop Clc1cc(Cl)ccc1OC(C)C(=O)O Tox21_301143 -NCGC00254071-01 196713972 tox21-ror-cho-viability-p1 set2 -1.1 25.5111385207 -91.6187271351 1.8806643669 -89.7380627682 4.9549173134 0.9892350145 1.3E-9 0.93983979 0.60355544 2.00211307 0.62251389 1.15713169 3.21486342 0.91116685 0.09447135 1.97805739 1.62708076 0.85067008 2.48209204 -0.13042605 -85.09691012 -87.97849291 1.115E-9 2.493E-9 5.574E-9 1.246E-8 2.7869999999E-8 6.2319999999E-8 1.394E-7 3.1159999999E-7 6.9679999999E-7 0.000001558 0.000003484 0.00000779 0.00001742 0.00003895 0.000087099999999 NOCAS_47377 60196407 144210574 A A AVE6324 Cl.Clc1ccc(s1)c5onc(Cn3c4ccc(cc4cc3C(=O)NC2CCN(CC2)C(C)C)C(=O)O[C@@H](C)OC(=O)OCC)c5 Tox21_300254 -NCGC00254728-01 196714376 tox21-ror-cho-viability-p1 set2 4 13.6715125731 -17.9867521 0 -17.9867521 1.9673362061 0.9571615894 0.0000036181 -1.89481344 0.93425157 -1.68565205 -0.7894588 -0.7037026 1.2566318 -0.09383435 1.75080231 1.26877345 0.34301668 -1.3703049 -3.12565314 -13.51923882 -15.21215412 -16.65562675 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 361377-29-9 11048796 144211141 A A Fluoxastrobin Clc4ccccc4Oc3ncnc(Oc2ccccc2C(=N\OC)/C=1OCCON=1)c3F Tox21_300824 -NCGC00254050-01 196714386 tox21-ror-cho-viability-p1 set2 -2.1 54.4826732819 -80.5128224908 0.57737393 -79.9354485608 3.1924983358 0.9963105504 0 1.35805402 -0.56571828 2.22970876 -0.19475529 -0.51596391 -0.65140882 0.23339441 1.23842135 1.48198342 0.47281617 -0.52872945 0.99671721 0.43712741 -23.61879529 -66.99655194 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 196808-45-4 170364 144210538 A A Farglitazar O=C(O)[C@@H](Nc2ccccc2C(=O)c1ccccc1)Cc3ccc(cc3)OCCc4nc(oc4C)c5ccccc5 Tox21_300218 -NCGC00254140-01 196714399 tox21-ror-cho-viability-p1 set2 4 0.89441267 1.4692346 0.337223 0.57097433 1.41887385 1.13629528 3.77468865 0.30121823 1.4509463 2.46870672 0.31921948 3.89258471 7.51539437 4.94079446 7.29471285 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-48-7 335 144210341 A A o-Cresol Cc1ccccc1O Tox21_300021 -NCGC00260476-01 196711906 tox21-ror-cho-viability-p1 set2 4 0.0345861027 4.5 5.5 10 1.4641 0.5520816901 0.1538146651 7.29965139 5.52545933 3.70788476 7.25936038 7.55501466 8.24161122 10.63328499 8.57796765 14.04787507 8.17642836 9.02910955 10.17259594 9.98911447 8.49857072 7.75010462 1.1859999999E-9 2.6519999999E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001853 0.000041439999999 0.000092669999999 555-16-8 541 144210128 A A 4-Nitrobenzaldehyde O=[N+]([O-])c1ccc(C=O)cc1 Tox21_202930 -NCGC00260264-01 196711501 tox21-ror-cho-viability-p1 set2 -3 17.1204437225 -45.9247033655 -1.5 -47.4247033655 3.0654483358 0.6796424763 0.069949894 0.12277927 1.63244019 -0.27636228 1.32317118 -0.05759264 -0.69628135 -4.88332578 -0.28478758 -20.15455341 0.97910723 0.42732597 -1.06688576 -35.92780558 1.27076765 -5.17883868 1.2919999999E-9 2.888E-9 6.458E-9 1.4439999999E-8 3.229E-8 7.22E-8 1.615E-7 3.6099999999E-7 8.073E-7 0.0000018049999999 0.0000040359999999 0.0000090249999999 0.00002018 0.00004513 0.0001009 109-64-8 8001 144209914 FC 1,3-Dibromopropane BrCCCBr Tox21_202716 -NCGC00357120-01 196711508 tox21-ror-cho-viability-p1 set2 -3 6.8589621897 -36.76208958 -4 -40.76208958 4.9549173134 0.6058453552 0.1416086968 1.49995451 1.22104781 -13.73652046 -17.03770932 -2.69083273 -6.47634639 -5.75355318 -0.76043518 -5.32623862 -4.62118786 0.29415417 -30.63507465 -22.87876887 -5.76440908 15.51073503 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-75-8 8074 251919851 2-Chloroethyl vinyl ether C=COCCCl Tox21_303853 -NCGC00258785-01 196711510 tox21-ror-cho-viability-p1 set2 4 -3.1553659 -2.49522164 0.58062135 4.12700886 7.02526161 3.77938084 -1.71111519 -0.05974638 -2.1965825 2.8020463 1.7827403 9.42792101 2.57903422 1.03530359 4.25162442 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 134-32-7 8640 144208431 A A 1-Naphthylamine Nc2cccc1ccccc12 Tox21_201233 -NCGC00357173-01 196711921 tox21-ror-cho-viability-p1 set2 2.4 61.130564862 34.1333755081 1.8666244919 36 1.9673362061 0.9186333901 0.0001133849 3.15359619 3.27027384 4.85157353 -0.94447959 0.3139312 0.61555817 0.52433349 0.42579161 4.28158254 2.13651023 4.68949593 -0.44128239 6.02017999 11.33772228 27.81660926 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1569-60-4 20745 251919874 A 6-Methylhept-5-en-2-ol C/C(C)=C\CCC(C)O Tox21_303934 -NCGC00260102-01 196712328 tox21-ror-cho-viability-p1 set2 4 -9.23550966 2.73368372 0.40152338 0.22433551 1.58543689 -34.41080768 -2.24562937 1.40747172 2.23485856 1.9196998 -1.30664516 -1.14588702 -20.62940536 -0.84946009 1.70261457 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9569999999E-8 6.613E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003697 0.000008266 0.00001848 0.00004133 0.000092409999999 89-08-7 6962 144209751 F 4-Sulfophthalic acid OS(=O)(=O)c1cc(c(cc1)C(=O)O)C(=O)O Tox21_202553 -NCGC00091632-02 196712331 tox21-ror-cho-viability-p1 set2 4 68.5896218971 21.6448446919 -5.6448446919 16 4.9549173134 0.3218562887 0.3464510354 -1.16066456 -3.05101513 -4.45109546 -2.11401594 -4.1089121 -3.33400894 0 -1.77924936 -27.62070391 -4.19507735 -9.22436237 -4.9648936 -5.51210817 -4.58136694 11.90421581 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00357022-01 196724834 tox21-ror-cho-viability-p1 set3 4 0.0121971512 9 9.5 18.5 3.9899729863 0.6279667003 0.0781767582 11.80740969 7.96285065 8.24945605 14.83408914 20.15247768 21.86558481 16.75056553 19.30010523 24.0802219 13.71665059 14.57434793 19.34848883 14.76518399 20.08922631 21.20782598 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 487-68-3 10254 251919905 A 2,4,6-Trimethylbenzaldehyde Cc1cc(C)cc(C)c1C=O Tox21_303703 -NCGC00093560-05 196725250 tox21-ror-cho-viability-p1 set3 4 0 0 1.92793765 1.82349019 7.29999795 2.7402776 5.95021821 7.12814989 4.20499777 5.03776701 4.82804313 6.14051709 -0.73986549 0.44450973 -1.86974314 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98319-26-7 57363 170464818 A Finasteride CC(C)(C)NC(=O)[C@H]4CC[C@@H]3[C@]4(C)CC[C@H]1[C@H]3CC[C@H]2NC(=O)C=C[C@]12C Tox21_110717_1 -NCGC00163735-04 196724667 tox21-ror-cho-viability-p1 set3 4 64.8164987557 -21.38447094 0.5 -20.88447094 1.59358881 0.6042411409 0.0942940305 1.00277816 0.04685161 -1.11793201 -8.29725713 6.37213713 1.47856995 -0.30432695 3.81340122 -1.1751287 1.97854419 0.83211756 0.24754195 -4.13108152 -5.15516482 -14.07039245 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00260616-01 196724656 tox21-ror-cho-viability-p1 set3 4 1.0564781 -6.12816374 1.3277972 -5.47339533 1.07611414 -10.77870564 1.69497814 2.542241 -2.40605294 -0.34248357 2.83295174 -5.05059416 3.54491225 1.91557098 1.93930343 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49512 144210269 M M NTP Mix19 AR1 8-EQC Tox21_203071 -NCGC00356972-01 196724662 tox21-ror-cho-viability-p1 set3 4 0.685896219 -7.6997798159 3 -4.6997798159 4.9549173134 0.3952633554 0.2932199684 -6.0450411 0.17194316 1.78718351 3.89412886 13.58306236 7.05986994 -0.58498523 2.19793271 -1.62244493 -10.16648318 -4.35976046 -2.4619378 -4.9195001 -2.37178957 11.1200089 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-98-8 880 251919647 F Methyl glyoxal O=CC(C)=O Tox21_303931 -NCGC00357047-01 196724666 tox21-ror-cho-viability-p1 set3 4 -7.39801482 0.74336188 -3.60295016 3.55366146 7.44752831 -8.99857697 2.64509946 -1.45684575 2.50678785 0.86634473 -2.01121383 0.19823428 -1.55717701 -8.94735483 -6.16336911 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13963-57-0 91759529 251919866 A Aluminum trisacetoacetate C\C(=[O+]\[Al](\[O+]=C(\C)[CH-]C(C)=O)\[O+]=C(\C)[CH-]C(C)=O)[CH-]C(C)=O Tox21_303741 -NCGC00185774-02 196725070 tox21-ror-cho-viability-p1 set3 4 1.333319023 24.152873352 -2.152873352 22 0.2 0.3666504886 0.3039395829 2.93955331 0.18819573 0.7682446 4.21918552 9.82953763 8.25077997 7.43343515 0 16.72563329 11.64196754 7.4587176 -1.37739446 15.64281872 16.94651615 15.11913861 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84611-23-4 65632 170465586 A Erdosteine O=C1SCCC1NC(=O)CSCC(=O)O Tox21_113176_1 -NCGC00160439-02 196725083 tox21-ror-cho-viability-p1 set3 1.1 10.5909294584 70.750787122 -0.996908293 69.753878829 2.9022712143 0.9973967896 0 0 -1.90552326 -1.82816621 -1.16510788 -1.62441336 -1.24501545 -1.06573745 1.04382991 -1.56278881 -0.59872508 0.91101443 0.90617097 26.65918262 59.35022714 70.19728055 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2210-77-7 24361 170466449 A Pyrrocaine O=C(Nc1c(C)cccc1C)CN2CCCC2 Tox21_111811_1 -NCGC00091009-05 196725479 tox21-ror-cho-viability-p1 set3 1.4 0.0346438168 17.1374463559 -0.1374463559 17 4.9549173134 0.888112555 0.0009734006 0.44185539 1.7747313 -0.11453863 0 0 23.03242334 18.6040929 19.86122521 14.65776761 15.17477356 16.84866588 15.57078447 16.36507544 12.77800683 8.42137344 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00015501-09 196725482 tox21-ror-cho-viability-p1 set3 4 3.79579286 -3.61737385 2.43247028 -3.49909986 -3.11672935 -1.39930805 -0.02336846 -4.99196943 -3.74573299 -1.85212954 -0.26121397 0.31017043 -4.39061828 -1.18716885 -0.62457281 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 304-20-1 9351 170464806 Z Apresoline Cl.NNc2nncc1ccccc12 Tox21_110163_1 -NCGC00167560-02 196725487 tox21-ror-cho-viability-p1 set3 4 -8.22080541 0 1.40773355 3.2419297 -4.32186378 -4.86236747 -7.09393054 -1.02044275 -2.51697618 0.05248432 0.93815812 -8.39052243 -3.9020463 -7.29647642 0.47690668 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54-96-6 5918 170466846 Z 3,4-Diaminopyridine Nc1ccncc1N Tox21_112555_1 -NCGC00015316-05 196725491 tox21-ror-cho-viability-p1 set3 4 -7.49961898 -8.74137279 0.60938039 -1.00513851 -1.47585985 -1.29276973 -0.46067994 -8.21278839 -4.82634572 -4.84632692 0.74272539 0.78420434 -0.03758889 -2.23996344 0.90223498 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 96020-91-6 57004 170465007 Z Eflornithine Hydrochloride Cl.FC(F)C(N)(CCCN)C(=O)O Tox21_111224_1 -NCGC00164555-03 196723190 tox21-ror-cho-viability-p1 set3 4 29.8492948118 13.9510017919 -2.9510017919 11 4.9549173134 0.6090261125 0.0913313321 -2.69271981 0.18318794 -1.92344569 -1.75438065 -1.50480425 -2.42322553 1.58388518 0.65617632 -5.55560968 -6.20916816 -5.16876347 -6.01782662 -6.17725264 -0.81256214 9.41732615 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 130929-57-6 5281081 170464850 A Entacapone Oc1cc(\C=C(/C#N)C(=O)N(CC)CC)cc([N+]([O-])=O)c1O Tox21_112184_1 -NCGC00255413-01 196701176 tox21-ror-cho-viability-p1 set1 -2.4 76.9588215421 -29.536910892 -2.5 -32.036910892 3.9899729863 0.8046207527 0.0072446828 -1.20794516 -2.59357408 -1.3178361 -4.94657951 -5.2023471 -1.3307782 -1.00426852 -7.19080697 -3.47483739 3.21104415 -0.69085034 -1.17089925 -6.57358701 -4.3286987 -23.36409241 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 42576-02-3 39230 144211933 A A Bifenox Clc2cc(Cl)ccc2Oc1cc(C(=O)OC)c(cc1)[N+]([O-])=O Tox21_301616 -NCGC00256265-01 196701179 tox21-ror-cho-viability-p1 set1 4 -1.30774022 1.07440709 1.20775424 0.72885087 0.37874955 0.13827629 -0.52260145 -5.19354781 -0.73183031 -0.44613809 -6.38358506 0.77674558 0.20901142 -1.18953048 -6.83647408 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 41424-36-6 5067511 144211989 A A 1,3,5-Tribromo-2-methoxy-4-methylbenzene COc1c(Br)c(C)c(Br)cc1Br Tox21_301672 -NCGC00263652-01 196723622 tox21-ror-cho-viability-p1 set3 4 37.5780357627 18.8051985199 -0.8051985199 18 4.9549173134 0.5047211244 0.174672099 -0.82962599 0.66565269 -0.35611839 2.99394591 -3.46034 0.27728276 -2.98043432 -0.43572197 -6.5043321 6.9946794 3.81675851 -3.89261063 -6.05394132 -2.85755568 13.7085808 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 85371-64-8 55329 170465261 A Pinacidil monohydrate O.CC(C)(C)C(C)N/C(Nc1ccncc1)=N\C#N Tox21_110954_1 -NCGC00178286-05 196723204 tox21-ror-cho-viability-p1 set3 4 -0.86042377 -0.21443274 8.92351159 6.52080544 6.59390686 -2.58389893 4.81868458 4.84441766 5.22229334 0.99947039 3.32858105 -0.63954772 -0.91602115 2.63870493 -5.14324102 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-15-0 5359226 170465059 Z Pralidoxime chloride [Cl-].O\N=C\c1cccc[n+]1C Tox21_110316_1 -NCGC00016353-08 196723607 tox21-ror-cho-viability-p1 set3 4 1.79270741 1.6919715 -1.11087549 0.2647508 2.50027305 1.29078411 -0.19500057 -1.022835 12.10655043 -0.64694401 0.16942739 3.52840274 0.27052615 9.93746927 0.70515489 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-25-7 2482 170465735 A Butyl 4-aminobenzoate Nc1ccc(cc1)C(=O)OCCCC Tox21_110392_1 -NCGC00179431-03 196723623 tox21-ror-cho-viability-p1 set3 4 0.2984929481 -7.516780128 8 0.483219872 4.9549173134 0.4869337621 0.2074115175 4.08550607 0.79140961 10.49074806 11.47802732 10.2657515 9.17997867 8.61022984 10.02004526 1.9681904 -0.23440912 4.93009594 -4.45489456 -5.01398344 6.24565143 21.10691561 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7421-40-1 636402 170465951 A Carbenoxolone sodium [Na+].[Na+].[O-]C(=O)CCC(=O)O[C@H]4CC[C@]3(C)[C@H]5C(=O)C=C1[C@@](C)(CC[C@@]2(C)CC[C@@](C)(C[C@@H]12)C([O-])=O)[C@]5(C)CC[C@H]3C4(C)C Tox21_110769_1 -NCGC00090721-03 196724019 tox21-ror-cho-viability-p1 set3 4 0.273060203 -7.9767231159 4 -3.9767231159 4.9549173134 0.492703935 0.2020175117 -2.56376661 5.12151388 0.16699279 3.58072051 7.36644491 10.31999977 4.03059263 -2.30850611 -0.34778595 -10.81393593 -1.20405793 -9.82631165 -0.48099132 -2.20764377 0.82803996 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00357191-01 196724018 tox21-ror-cho-viability-p1 set3 -2.4 30.6378586933 -24.379016248 0 -24.379016248 1.4163171 0.7939576308 0.0090234842 -6.2053421 -0.39330824 -0.22753948 -0.37191454 1.84292152 7.54527218 4.28613536 -2.87699813 -0.98511498 -0.19671117 -3.36407694 -2.64139346 -8.63714576 -11.74392841 -21.98251354 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 540-38-5 10894 251919907 A 4-Iodophenol Ic1ccc(O)cc1 Tox21_303957 -NCGC00095227-06 196697881 tox21-ror-cho-viability-p1 set1 4 23.7101376556 -20.4982669919 1 -19.4982669919 1.0999999999 0.8025664583 0.0076008699 2.18678118 -1.24077118 0.04961104 -0.00002629 2.85318539 0.79599743 3.51336172 1.51184249 2.97778194 -1.21616372 -0.65582998 -6.29159831 -0.43772921 -8.30741806 -14.58188916 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72-48-0 6293 170465641 A Alizarin O=C3c1ccccc1C(=O)c2c3ccc(O)c2O Tox21_111486_1 -NCGC00095978-06 196697889 tox21-ror-cho-viability-p1 set1 4 1.41339039 6.69461165 3.98728813 3.10673281 7.18764792 -0.18345653 4.01801957 2.26787404 2.02197996 2.08876642 2.21150329 5.92133788 1.25830569 1.01288156 -2.6751848 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103055-07-8 71777 170465736 Z Lufenuron Clc2cc(NC(=O)NC(=O)c1c(F)cccc1F)c(Cl)cc2OC(F)(F)C(F)C(F)(F)F Tox21_111542_1 -NCGC00181782-03 196698281 tox21-ror-cho-viability-p1 set1 4 26.6032120037 -11.2100512119 0 -11.2100512119 3.6272481694 0.6446163704 0.0684819726 0.78041026 1.30178815 0.96840018 2.15625256 -0.32232329 -1.31390062 0.77403182 -0.63795809 -5.34005048 -0.37608205 -0.68789551 3.64662199 -0.36060267 -3.280738 -9.75837601 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 106516-24-9 60149 170465613 A Sertindole Fc1ccc(cc1)n5cc(C3CCN(CCN2CCNC2=O)CC3)c4cc(Cl)ccc45 Tox21_113421_1 -NCGC00166256-02 196698289 tox21-ror-cho-viability-p1 set1 4 0.34912031 1.80949979 0.41824969 0.02818649 4.60441153 -1.89763247 0.05364005 3.62250873 -6.44610743 -0.1484468 3.96753242 2.17070102 1.288474 4.71850055 1.88184693 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25526-93-6 33039 170466324 A Alovudine CC1=CN(C(=O)NC1=O)[C@H]2C[C@H](F)[C@@H](CO)O2 Tox21_112376_1 -NCGC00090756-12 196722621 tox21-ror-cho-viability-p1 set3 4 11.8832183006 11.766638252 1.233361748 13 0.7 0.4546089752 0.240346346 1.26152969 2.81030788 -0.63886521 2.31782249 1.52965472 3.47949027 4.57979927 0.10570597 6.75643273 3.1637257 -0.25980308 3.48763685 7.28904492 9.91182487 5.22646301 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127-47-9 638034 170465512 F Retinol acetate CC=1CCCC(C)(C)C=1/C=CC(\C)=C\C=C\C(\C)=C\COC(C)=O Tox21_113549_1 -NCGC00165846-04 196698515 tox21-ror-cho-viability-p1 set1 -2.4 21.1316824289 -24.3925184159 1 -23.3925184159 3.1319983358 0.9662779825 9.49E-7 -0.774375 0.2973737 -0.07260219 1.89519081 3.17143467 1.44787865 -0.19476026 0.30867708 -0.07221369 0.04405791 2.45530189 1.58512293 0.6197682 -10.23576591 -21.57709868 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82752-99-6 54911 170465078 A Nefazodone hydrochloride Cl.Clc1cccc(c1)N4CCN(CCCN3N=C(CC)N(CCOc2ccccc2)C3=O)CC4 Tox21_111735_1 -NCGC00160456-03 196698516 tox21-ror-cho-viability-p1 set1 4 -1.59259672 1.70023602 0.4123131 1.57273313 0.23771621 -0.36821841 2.5429142 -0.05749294 0.60593616 1.30447899 9.03929798 0.19324194 1.71629698 -0.09175865 8.01121076 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 147-58-0 8614 170465302 A 2-Iodohippuric acid O=C(NCC(=O)O)c1ccccc1I Tox21_111826_1 -NCGC00015520-11 196723050 tox21-ror-cho-viability-p1 set3 4 0.0014960085 -11.1273793559 11 -0.1273793559 4.5044702849 0.3881835051 0.3001217252 10.84985914 7.18035571 0.5360202 -0.8911423 -2.25273755 6.91855625 -4.92188785 9.70458868 -4.63652933 -2.91110702 -0.02263132 -0.82143584 -5.52281613 2.78220808 14.58609362 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127-07-1 3657 170465025 F Hydroxyurea NC(=O)NO Tox21_110168_1 -NCGC00161621-03 196723035 tox21-ror-cho-viability-p1 set3 -2.4 26.6032120037 -37.543607376 0.5 -37.043607376 1.24751 0.8624100729 0.0015137116 -1.27440135 -0.77556574 0.88099121 -0.25487886 -1.97382917 8.77507655 -1.16708118 -0.00216073 1.23151885 -0.35679533 -0.70645638 -1.11557123 -12.0168814 -11.35312783 -27.53633948 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 481-49-2 10206 170465994 B Cepharanthine COc8ccc1cc8Oc7ccc(C[C@H]4c5c(Oc3cc2c(CCN(C)[C@@H]2C1)cc3OC)c6OCOc6cc5CCN4C)cc7 Tox21_111483_1 -NCGC00262927-01 196723043 tox21-ror-cho-viability-p1 set3 4 0.66944732 -0.24326158 -0.03714395 -0.59429939 0.4329228 0.57019751 4.06890167 0.41661321 3.86521689 -1.35768255 0.58825466 -2.64805989 6.24010157 6.94182435 7.2155953 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72822-13-0 6917787 170466549 A Dapiprazole hydrochloride Cl.Cc4ccccc4N3CCN(CCc1nnc2CCCCn12)CC3 Tox21_113035_1 -NCGC00168342-02 196723051 tox21-ror-cho-viability-p1 set3 4 12.1227658336 -8.198018608 3 -5.198018608 2.7202212143 0.4567123459 0.2188957175 -0.10591115 -0.01825652 2.43577777 1.7493491 1.19264611 -0.40830267 1.22258638 2.10406554 5.64658045 7.8342151 10.74731759 2.54593819 -7.24834884 -1.8621218 -6.33646094 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00261969-01 196723055 tox21-ror-cho-viability-p1 set3 4 0.01610591 68.48674502 58.04440901 56.53827901 58.64686039 40.42480724 20.90535905 17.63491133 14.7596909 21.74356697 23.91650208 25.46843524 26.79177435 18.15420039 4.7972421 28.45730144 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 146961-77-5 72187522 170465095 F F Alatrofloxacin mesylate CS(=O)(=O)O.C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@]2(C)[C@@H]1CN(C[C@@H]12)c3nc4c(cc3F)C(=O)C(=CN4c5ccc(F)cc5F)C(=O)O Tox21_113889 -NCGC00247689-01 196723446 tox21-ror-cho-viability-p1 set3 4 4.28049602 1.88030874 7.17105837 7.2212396 -14.6742135 1.54350566 0.49937395 -11.87139349 2.80288008 5.287346 4.57172149 1.22825407 3.20483077 5.34091754 6.34625508 1.327E-9 2.968E-9 6.636E-9 1.484E-8 3.3179999999E-8 7.419E-8 1.659E-7 3.71E-7 8.295E-7 0.0000018549999999 0.000004147 0.0000092739999999 0.000020739999999 0.00004637 0.0001037 5156-58-1 60196318 144206392 A A N-(1-Benzyl-4-piperidyl)-N-phenylpropanamide hydrochloride Cl.CCC(=O)N(C2CCN(Cc1ccccc1)CC2)c3ccccc3 Tox21_112839 -NCGC00263657-01 196723448 tox21-ror-cho-viability-p1 set3 2.4 26.6032120037 23.4003607881 2.5996392119 26 0.7999999999 0.6892057531 0.0432483755 3.18761935 5.7087735 3.77030293 -2.33918975 -2.83363399 5.89523034 6.85259733 3.4610808 1.77816575 1.87394415 8.86203424 3.07987492 7.33119046 13.84158689 19.17831845 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 40596-69-8 5366546 170466306 F Methoprene CC(C)OC(=O)\C=C(/C)\C=C\CC(C)CCCC(C)(C)OC Tox21_111019_1 -NCGC00165999-03 196723451 tox21-ror-cho-viability-p1 set3 4 1.53263427 -7.34710476 -0.04558539 -1.25090508 -1.2091317 0.97568977 -7.02728741 1.13656254 -1.24572265 0.27408354 4.67287445 0.51331859 3.55643881 -0.37751832 -4.36429693 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 100-88-9 7533 170466502 A Cyclamic acid OS(=O)(=O)NC1CCCCC1 Tox21_112285_1 -NCGC00253647-01 196723455 tox21-ror-cho-viability-p1 set3 4 -3.8210382 1.94331714 8.79645937 6.01775754 14.28968146 7.88732202 5.74725526 1.56594518 0.30959527 0.71558945 2.7198443 -3.63134084 -0.38881168 4.40794361 20.13759841 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64987-03-7 2733245 170466756 A A Ethyl (2-formamido-1,3-thiazol-4-yl)glyoxylate O=CNc1nc(cs1)C(=O)C(=O)OCC Tox21_113773 -NCGC00257032-01 196726497 tox21-ror-cho-viability-p1 set3 -2.2 54.4826732819 -51.1401784288 0.72521093 -50.4149674988 2.5884283767 0.8645613279 0.0014026412 1.41120952 1.95827891 2.21137249 1.83102778 1.1603124 0.99104963 0.57646688 2.0348171 0.71084652 7.66079411 -13.37814079 3.37571659 -3.71544191 -14.9922047 -40.08709659 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-72-4 7573 144213519 A C N-Isopropyl-N'-phenyl-p-phenylenediamine CC(C)Nc1ccc(cc1)Nc2ccccc2 Tox21_303202 -NCGC00257350-01 196726500 tox21-ror-cho-viability-p1 set3 4 -0.01261001 1.8333061 0.90598635 2.91327501 3.62191266 0.95550125 3.56695314 1.55292044 0.14953582 3.65713508 6.85104897 -0.14157589 0.02431128 1.66663923 3.62438499 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13755-29-8 4343483 144213760 Z Z Sodium tetrafluoroborate [Na+].F[B-](F)(F)F Tox21_303450 -NCGC00091011-05 196726490 tox21-ror-cho-viability-p1 set3 2.1 24.3365162115 76.2619818221 1.1376914019 77.399673224 1.6258976909 0.9878264874 2.6E-9 3.59413052 1.64761704 -2.16761574 2.90632746 1.57510642 1.83101246 -0.42294132 3.28217086 3.93716785 0.2253143 -0.59336144 13.43326594 33.46034081 51.7117762 70.44408136 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00256509-01 196726494 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -16.538404668 -2 -18.538404668 2.7202212143 0.6620966585 0.0578481332 -0.20689742 -1.51477723 -3.0106297 -2.92815922 -4.11838626 -6.31990203 -1.22853927 -2.23238064 -0.43300454 0.77552005 3.02463457 -2.90591905 -3.53480204 -4.10347651 -13.78200389 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 127-47-9 638034 144213054 F Fns Retinol acetate CC=1CCCC(C)(C)C=1/C=CC(\C)=C\C=C\C(\C)=C\COC(C)=O Tox21_302737 -NCGC00256718-01 196726509 tox21-ror-cho-viability-p1 set3 4 0.0180468132 5.572847816 -1.072847816 4.5 4.9549173134 0.3764019448 0.2965131105 -0.00230509 -1.72737318 -1.52232798 0.06838561 6.24639371 1.15436702 6.03421543 7.7813412 6.87272662 8.17336863 1.70664643 0.77668578 0.44268525 -0.37218078 8.38989967 1.35E-9 3.0179999999E-9 6.749E-9 1.5089999999E-8 3.375E-8 7.546E-8 1.6869999999E-7 3.773E-7 8.436E-7 0.0000018859999999 0.000004218 0.000009432 0.00002109 0.000047159999999 0.00010549999999 9004-73-3 6327366 144212798 Fns Methylpolysilicone C[Si](C)(C)O[SiH](C)O[Si](C)(C)C Tox21_302481 -NCGC00256442-01 196726513 tox21-ror-cho-viability-p1 set3 4 34.3762428541 -12.918218412 -0.5 -13.418218412 1.24751 0.5450885108 0.1403864781 -6.62660143 -0.42982229 -5.4415729 -0.03625307 1.20477544 1.06052885 -0.00500345 2.10406466 2.68440245 1.17132482 1.48657094 -6.46005127 -4.69835775 -5.55233235 -12.01518201 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 427-51-0 9880 144213258 A A Cyproterone acetate CC(=O)[C@@]4(OC(C)=O)CC[C@H]3[C@@H]5C=C(Cl)C2=CC(=O)[C@@H]1C[C@@H]1[C@]2(C)[C@H]5CC[C@@]34C Tox21_302941 -NCGC00256481-01 196726907 tox21-ror-cho-viability-p1 set3 4 -0.34113683 -1.49647467 -0.45694488 1.28553806 1.45150639 0.85662794 0.34869093 1.22707361 2.13945799 0.69818386 1.38673535 -0.8431488 -0.02014857 0.26872815 1.44441478 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-67-0 8815 144213247 A Ac Estragole COc1ccc(CC=C)cc1 Tox21_302930 -NCGC00256811-01 196726910 tox21-ror-cho-viability-p1 set3 4 -8.58941093 -2.28965319 -1.3356251 -2.19266787 -1.7773884 -1.31123314 -7.62910315 -1.08414711 -0.4838333 1.16627087 -0.28550046 0.33458928 0.13400628 0.77563123 -1.34349229 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2445-76-3 88454 144212760 F F Hexyl propanoate O=C(CC)OCCCCCC Tox21_302443 -NCGC00256701-01 196726913 tox21-ror-cho-viability-p1 set3 4 -1.4104203 -2.657474 1.09856791 1.42117436 -1.59770652 0.28605726 -2.88819072 2.95187003 0 -7.88900134 -2.1119861 0.4051579 -0.60941643 -1.97865513 2.09764427 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2592-95-2 75771 144212797 A A 1H-Benzotriazol-1-ol On2nnc1ccccc12 Tox21_302480 -NCGC00257274-01 196726916 tox21-ror-cho-viability-p1 set3 4 76.9588215421 13.221234012 -0.221234012 13 4.9549173134 0.724108414 0.0287980748 0.93215544 -1.69000389 0.14459749 -2.36208988 -1.57060542 2.00979296 -1.56364429 1.61729592 0 1.43390803 0 0.09870484 -0.79743678 -3.51769501 10.54359288 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7757-79-1 24434 144213706 Potassium nitrate [K+].[O-][N+]([O-])=O Tox21_303394 -NCGC00257412-01 196726918 tox21-ror-cho-viability-p1 set3 4 0.16451051 1.95117043 -1.75659222 0.57460461 -2.89302445 -3.01329709 2.90783665 0.54902809 -2.06296132 0.0804899 2.97580126 -2.52777013 -2.32631824 -3.45447047 -3.41914476 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 39515-51-0 38284 144213665 Cc Ac 3-Phenoxybenzaldehyde O=Cc2cc(Oc1ccccc1)ccc2 Tox21_303348 -NCGC00091080-03 196727344 tox21-ror-cho-viability-p1 set3 4 0.0028778068 -10.4954443159 9.5 -0.9954443159 3.0654483358 0.509170197 0.1713889322 8.66479252 6.35437966 -3.05285793 -1.14261803 0.72021803 -2.09539106 -1.56100675 -1.18933542 -3.18153277 -1.25846706 -3.56976022 7.83939182 -1.11275529 -4.57953693 0.02660187 1.1199999999E-9 2.5029999999E-9 5.5979999999E-9 1.2519999999E-8 2.799E-8 6.258E-8 1.399E-7 3.129E-7 6.9969999999E-7 0.0000015649999999 0.000003499 0.000007823 0.000017489999999 0.00003912 0.000087459999999 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00257750-01 196702794 tox21-ror-cho-viability-p1 set1 4 5.4880756 0.59782207 2.9090395 10.07716275 2.04616613 0.45165999 3.97095427 7.19368967 8.6148113 4.43946016 7.66984597 0.88205226 7.94847491 6.24297079 4.96901012 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.00004119 0.000092099999999 41663-84-7 92321 144207394 A A 2-Methyl-5-nitro-1H-isoindole-1,3(2H)-dione [O-][N+](=O)c1ccc2C(=O)N(C)C(=O)c2c1 Tox21_200196 -NCGC00091011-05 196702381 tox21-ror-cho-viability-p1 set1 4 34.3762428541 8.552835804 0.947164196 9.5 4.9549173134 0.6815695502 0.0477268267 -0.45814496 0.93999433 0.23475092 -0.42067316 -0.87736317 0.29765461 1.02278567 6.88484712 1.44237733 0.68459428 0.13219315 -0.00456098 0.00118837 7.542315 9.20864393 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00356950-01 196703613 tox21-ror-cho-viability-p1 set1 4 4.63657794 -8.05975931 3.54332037 1.27624964 0.9368776 -0.70075045 2.98333684 0.47474661 4.10030902 -0.59147371 1.10569952 0.80439745 1.18029634 0.08466366 -0.58071473 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 75389-89-8 22419268 251919697 A Diethylmethylbenzenediamine CCc1c(N)cc(C)c(CC)c1N Tox21_303857 -NCGC00260480-01 196703619 tox21-ror-cho-viability-p1 set1 -1.2 9.6786896923 -31.884858404 2 -29.884858404 2.7202212143 0.9789805521 6.34E-8 1.90545121 2.36748633 5.18445689 4.86190496 0.92930515 2.05564357 0.08114476 -0.79834649 -0.14089714 2.24379317 -0.67884925 -11.21592317 -25.48407627 -31.15404867 -27.47613618 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 573-58-0 11313 144210132 Z F C.I. Direct Red 28 [Na+].[Na+].[O-]S(=O)(=O)c5cc(/N=N/c1ccc(cc1)c2ccc(cc2)/N=N/c3cc(c4ccccc4c3N)S([O-])(=O)=O)c(N)c6ccccc56 Tox21_202934 -NCGC00095042-06 196703623 tox21-ror-cho-viability-p1 set1 4 -5.6455549 1.74868005 -4.91730746 -0.02006403 -0.41632945 0.28953884 1.63474051 -5.64312251 2.15801637 -4.11698332 2.76404067 -1.84863326 3.02255516 3.53933407 3.77859418 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00260528-01 196703635 tox21-ror-cho-viability-p1 set1 4 0.0017263982 -8.4533629399 7 -1.4533629399 4.5044702849 0.3452685471 0.3282340773 5.62065931 -0.42096709 -2.34033372 1.71580356 -6.62780245 -1.23402187 -0.22257694 -0.97836969 0.49094445 1.4671671 -0.19176644 -2.96666676 -2.07562062 -5.67200307 1.93142474 1.182E-9 2.6429999999E-9 5.91E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.304E-7 7.387E-7 0.0000016519999999 0.000003693 0.000008259 0.000018469999999 0.00004129 0.00009234 13674-84-5 26176 144210180 A B Tris(2-chloroisopropyl)phosphate ClCC(C)OP(=O)(OC(C)CCl)OC(C)CCl Tox21_202982 -NCGC00260273-01 196704038 tox21-ror-cho-viability-p1 set1 4 0.02311676 0.75735274 -6.08971172 1.5668186 -3.3393272 -21.97211565 1.55091463 -5.15011697 2.7138196 -2.72692009 0.70296113 -6.02079059 -8.31002647 0.10388901 4.26020086 1.313E-9 2.9359999999E-9 6.5649999999E-9 1.468E-8 3.283E-8 7.34E-8 1.641E-7 3.67E-7 8.2059999999E-7 0.0000018349999999 0.0000041029999999 0.000009175 0.00002052 0.00004588 0.00010259999999 120-29-6 449293 144209923 A A Tropine CN2[C@H]1CC[C@@H]2C[C@H](O)C1 Tox21_202725 -NCGC00357181-01 196704048 tox21-ror-cho-viability-p1 set1 4 6.67298808 2.01004058 -1.06978429 0.30044511 -8.67728133 1.31409719 -0.00738878 3.24766007 0.42257998 1.34534363 1.15125175 -0.46607604 -0.66437063 -6.5003176 -1.00986264 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17754-90-4 87293 251919665 A 4-(Diethylamino)salicylaldehyde O=Cc1ccc(cc1O)N(CC)CC Tox21_303946 -NCGC00258678-01 196701994 tox21-ror-cho-viability-p1 set1 -3 68.1713220381 -45.9412622849 3.5 -42.4412622849 4.5044702849 0.8695172844 0.0011777631 11.03365314 -0.34667987 0.71432862 11.27265995 2.30741744 7.30111171 3.39323992 1.75519171 4.30378592 1.12349015 0.33093816 4.63107671 0.02849273 -0.76856195 -32.9338433 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.56E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003667 0.0000082 0.00001834 0.000041 0.00009168 70-25-7 9562060 144208324 F N-Methyl-N'-nitro-N-nitrosoguanidine N=C(N[N+](=O)[O-])N(C)N=O Tox21_201126 -NCGC00257736-01 196701976 tox21-ror-cho-viability-p1 set1 -2.4 67.6838457892 -28.60388936 2.5 -26.10388936 4.9549173134 0.7982896188 0.0082666411 0.08869087 3.19164152 4.18107132 10.5859338 -2.3523891 -1.25863808 3.92635458 2.38073571 2.77559321 3.75391184 0.37184032 2.70642282 0.381282 1.89767611 -20.9199078 1.167E-9 2.6109999999E-9 5.837E-9 1.305E-8 2.919E-8 6.5259999999E-8 1.459E-7 3.2629999999E-7 7.297E-7 0.0000016319999999 0.000003648 0.0000081579999999 0.000018239999999 0.000040789999999 0.000091209999999 56296-78-7 62857 144207380 A A Fluoxetine hydrochloride Cl.FC(F)(F)c2ccc(OC(CCNC)c1ccccc1)cc2 Tox21_200182 -NCGC00160537-04 196701987 tox21-ror-cho-viability-p1 set1 4 -7.56557016 -9.05764141 -5.94703188 -6.95322288 -10.45598856 -10.32029844 -10.45338693 -6.05932508 -3.19163125 -7.33330697 -9.65287091 -8.67911579 -14.60413198 -11.82228698 -7.63522838 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00255883-01 196701398 tox21-ror-cho-viability-p1 set1 4 1.30614081 2.19251173 0.30447401 0.26193067 0.1486033 -0.8015182 2.47554345 -8.02610628 -0.59406837 3.85857461 0.05303566 -0.79703342 -6.45892076 4.15889416 6.30896199 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4849-32-5 312440 144212065 A A Karbutilate O=C(Oc1cccc(c1)NC(=O)N(C)C)NC(C)(C)C Tox21_301748 -NCGC00258600-01 196701791 tox21-ror-cho-viability-p1 set1 4 1.64401982 2.78297302 1.39072955 5.14720938 -3.1516358 1.35826355 5.67653724 2.12896062 0.02801501 3.43253024 7.30404882 1.02550946 3.23989693 -0.01466115 2.1182178 1.148E-9 2.566E-9 5.738E-9 1.2829999999E-8 2.8689999999E-8 6.4159999999E-8 1.4349999999E-7 3.2079999999E-7 7.173E-7 0.000001604 0.000003587 0.00000802 0.00001793 0.0000401 0.000089659999999 95-85-2 7265 144208245 A A 2-Amino-4-chlorophenol Nc1cc(Cl)ccc1O Tox21_201047 -NCGC00257891-01 196701792 tox21-ror-cho-viability-p1 set1 4 -6.38557516 -6.11376107 -7.16524916 -1.77925299 -8.9026458 -7.26464923 -14.40770224 -5.98377065 1.3622967 -8.43941463 -8.42945579 -10.11772586 -12.10592422 -3.41648505 -2.64349291 1.2169999999E-9 2.7209999999E-9 6.084E-9 1.36E-8 3.042E-8 6.802E-8 1.521E-7 3.401E-7 7.604E-7 0.0000016999999999 0.0000038019999999 0.000008502 0.00001901 0.00004251 0.00009506 600-25-9 11750 144207535 A A 1-Chloro-1-nitropropane CCC(Cl)[N+]([O-])=O Tox21_200337 -NCGC00090721-03 196701804 tox21-ror-cho-viability-p1 set1 4 3.66892677 3.50737405 -13.04423573 2.85578822 -0.69931353 3.8451741 2.89187084 1.51944436 1.82951277 1.42362584 4.0204567 1.48584378 1.43656575 1.25348566 -0.06751391 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00257630-01 196701811 tox21-ror-cho-viability-p1 set1 4 1.8079942023 -13.3492194359 -2 -15.3492194359 0.4 0.7165170456 0.0394084343 -4.13777212 0.49702274 -5.05468768 -2.9775207 -7.34778424 -0.06810337 -7.25184589 -6.73423339 -6.51646105 -9.46369784 -10.08529147 -8.93676006 -11.94790638 -12.37434953 -7.93213372 1.1159999999E-9 2.4949999999E-9 5.5799999999E-9 1.248E-8 2.79E-8 6.238E-8 1.395E-7 3.119E-7 6.975E-7 0.0000015599999999 0.000003487 0.0000077979999999 0.00001744 0.00003899 0.00008718 2955-38-6 4890 144207274 A A Prazepam Clc1ccc3c(c1)C(=NCC(=O)N3CC2CC2)c4ccccc4 Tox21_200076 -NCGC00257951-01 196701814 tox21-ror-cho-viability-p1 set1 -1.2 0.2738934797 -31.0537872173 -2.214142517 -33.2679297343 4.9549173134 0.9527911392 0.0000061351 -5.51615492 -4.72825756 -3.88583831 2.4990709 -6.26528257 3.32066503 -2.30795444 -25.72645923 -32.08627997 -35.87052453 -38.82076014 -33.71348041 -33.10903929 -27.70822595 -31.09067667 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3079999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.000008269 0.000018489999999 0.00004135 0.00009245 316-42-7 3068143 144207595 D Emetine dihydrochloride Cl.Cl.COc4cc5CCN[C@H](C[C@H]1C[C@H]2c3cc(OC)c(OC)cc3CCN2C[C@@H]1CC)c5cc4OC Tox21_200397 -NCGC00258553-01 196702214 tox21-ror-cho-viability-p1 set1 4 -3.24488282 -9.9133197 -5.72479253 -7.16556371 -4.20639826 -2.55776666 -17.05250826 -7.47635606 -5.71356083 -12.45841637 -4.96097835 -11.07859354 -13.77457745 -11.54158992 -2.89962832 1.19E-9 2.661E-9 5.951E-9 1.331E-8 2.975E-8 6.653E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.000003719 0.000008317 0.0000186 0.00004158 0.00009298 96-33-3 7294 144208198 FNS Methyl acrylate C=CC(=O)OC Tox21_201000 -NCGC00258273-01 196702221 tox21-ror-cho-viability-p1 set1 4 -7.6828624 0.56575269 -8.69710369 -3.16692723 -14.05504139 -2.40172715 -2.62554736 0.03923094 -5.45803247 -10.94273054 -7.17117259 1.72663403 -2.75542868 4.65954614 -6.27486224 1.189E-9 2.66E-9 5.9469999999E-9 1.3299999999E-8 2.9739999999E-8 6.649E-8 1.487E-7 3.325E-7 7.4339999999E-7 0.000001662 0.0000037169999999 0.000008312 0.00001859 0.00004156 0.00009293 103-83-3 7681 144207917 A Ac N,N-Dimethylbenzylamine CN(C)Cc1ccccc1 Tox21_200719 -NCGC00090780-04 196699743 tox21-ror-cho-viability-p1 set1 4 1.02337774 2.21732743 -0.98748936 1.35718424 -0.28298109 2.31381936 0.87296407 3.99340224 -0.3810464 -0.22742944 5.69282838 -1.31472818 0.90156224 4.32536828 4.93033676 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00254696-01 196698921 tox21-ror-cho-viability-p1 set1 4 -0.1247264 3.85504327 -0.69418445 -0.83077592 -0.30197169 3.76547119 0.54092851 0.40000572 3.80342731 0.19115453 -7.09843114 1.514836 5.28680242 2.08083404 5.76547135 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-41-7 7559 144211109 A A Methyl phenylacetate O=C(OC)Cc1ccccc1 Tox21_300792 -NCGC00091775-03 196699329 tox21-ror-cho-viability-p1 set1 -2.4 19.272220481 -24.2333544 0 -24.2333544 3.1924983358 0.9274379379 0.0000622875 1.70346042 1.99663308 0.62828257 -2.1710883 0.17559034 -5.51965514 -0.08309593 0.1922221 4.76904877 0.30511864 0.82392896 -3.72733048 -9.72134363 -23.944462 -23.16830217 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00254974-01 196699331 tox21-ror-cho-viability-p1 set1 4 0.44323432 -0.12485831 3.09098917 1.29804423 2.68680538 1.17943973 1.87612701 -3.5668775 0.79679332 4.17016415 3.94678092 0.87386146 2.97287098 1.78294372 0.67917947 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142459-58-3 86429 144211390 A A Flufenacet O=C(COc1nnc(s1)C(F)(F)F)N(c2ccc(F)cc2)C(C)C Tox21_301073 -NCGC00254928-01 196699749 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -12.088219912 0 -12.088219912 4.9549173134 0.5090340797 0.1727122575 1.15392806 0.71495084 -0.94567968 0.81808629 0.9381078 -0.64012317 0.71077307 -0.21420997 2.55731043 -1.42657817 -4.36404413 2.05187523 -5.62758761 1.10231479 -9.24018326 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-39-4 11487 144211343 A A Diphenylamine c1ccccc1Nc2ccccc2 Tox21_301026 -NCGC00255489-01 196728356 tox21-ror-cho-viability-p1 set3 4 -3.15935014 -2.1141109 4.30330006 -0.73395305 3.3986662 -0.48785587 0.89644429 -1.04885837 2.39732094 -1.06520149 -2.15044898 -3.26713853 -1.50701304 -2.89544121 0.78697056 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1216-44-0 267210 144211745 A A Flurenol-methyl O=C(OC)C3(O)c1ccccc1c2ccccc23 Tox21_301428 -NCGC00255128-01 196728349 tox21-ror-cho-viability-p1 set3 4 -1.01022583 -3.43658236 0.76881949 -1.07672803 -2.49323332 4.40747087 3.26291576 3.92099138 -0.66501838 0.00407872 4.1650466 -0.08590924 -4.53943244 2.4718413 -2.12877628 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-36-7 8179 144212367 A Ac Diethylene glycol diethyl ether CCOCCOCCOCC Tox21_302050 -NCGC00091657-02 196728351 tox21-ror-cho-viability-p1 set3 4 76.9588215421 11.2715621119 -0.2715621119 11 4.9549173134 0.5552807758 0.1340719892 -0.20849052 -2.05051461 -0.56992664 -3.97630176 -0.03259564 0.01742736 2.65077775 1.91348306 0.91178245 -0.62944491 2.82324803 -2.51405316 -0.37880066 -0.57297264 7.73593199 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00255267-01 196728353 tox21-ror-cho-viability-p1 set3 4 0.0121971512 6.775446096 -4.275446096 2.5 3.1319983358 0.5120540574 0.1692623766 -2.73210336 -2.4170277 -8.14620508 1.21093543 -0.27568461 8.21125528 2.07388712 1.61962572 4.8946797 4.23517049 -0.3055197 2.3376703 -0.27570222 0.68449619 2.02661613 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-19-7 6924 144211958 A A o-Toluenesulfonamide Cc1ccccc1S(=O)(N)=O Tox21_301641 -NCGC00255952-01 196728364 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -30.295650528 2 -28.295650528 4.9549173134 0.589787462 0.1042489866 1.05634541 7.79289855 8.09019762 -1.49213797 11.50854138 1.10775997 -1.00773181 -2.35662628 1.00303116 -6.7595924 1.40156382 11.20424732 -3.78091561 0.89079584 -22.74637544 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 34643-46-4 36870 144211536 A F Prothiofos Clc1cc(Cl)ccc1OP(=S)(OCC)SCCC Tox21_301219 -NCGC00255549-01 196728757 tox21-ror-cho-viability-p1 set3 -2.2 42.2991236024 -40.2350089 0.5 -39.7350089 1.8079476909 0.8520615509 0.0021159141 1.78465229 9.70687307 -2.9516979 3.68036779 -0.90623312 -4.73747096 -1.1630969 0.27064185 2.66280115 0.72569658 1.88088626 -4.85491349 -5.21620627 -12.78860592 -30.19584075 9.5559999999E-10 2.137E-9 4.778E-9 1.068E-8 2.389E-8 5.342E-8 1.194E-7 2.671E-7 5.972E-7 0.000001335 0.000002986 0.0000066769999999 0.00001493 0.00003339 0.00007465 4162-45-2 20113 144212048 A A Tetrabromobisphenol A bis(2-hydroxyethyl) ether Brc1cc(cc(Br)c1OCCO)C(C)(C)c2cc(Br)c(OCCO)c(Br)c2 Tox21_301731 -NCGC00255312-01 196728762 tox21-ror-cho-viability-p1 set3 4 1.52497705 -3.71236257 7.09138579 -3.32911944 -4.96175086 6.24941805 -1.42946293 6.51897943 -5.02184352 9.20009273 5.06420219 -1.53877161 7.18930338 -4.77358073 0.60081697 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 62-74-8 16212360 144211737 A A Sodium fluoroacetate [Na+].[O-]C(=O)CF Tox21_301420 -NCGC00163774-04 196728769 tox21-ror-cho-viability-p1 set3 4 -0.39321205 0.23175108 0.31490832 -2.4979752 -1.01949368 -5.0047797 -3.76747879 -2.66993246 -0.61362097 -6.84636629 -2.10318031 -6.90189847 -6.82701247 0.47660452 1.07848063 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00256043-01 196728026 tox21-ror-cho-viability-p1 set3 4 -4.63382563 2.02492898 3.29828978 1.53142851 2.39289582 2.66279502 3.98883266 1.64146673 1.6527416 2.7206304 1.56309613 -3.80304908 1.29440726 -1.8897078 3.14473543 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-45-1 61151 144212651 A A Methyl 2-methoxybenzoate COc1ccccc1C(=O)OC Tox21_302334 -NCGC00257420-01 196727601 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -47.1050466542 1.495121459 -45.6099251952 4.9549173134 0.9700421081 4.829E-7 2.42639451 1.81028689 -0.7102554 1.20091983 2.00733251 1.05189984 -0.81431562 1.12835423 2.26746347 -0.9919579 0.74236585 2.06693781 1.23818724 2.7087413 -37.38882952 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-40-5 1752 144213950 A A 4-Nonylphenol Oc1ccc(CCCCCCCCC)cc1 Tox21_303647 -NCGC00160537-04 196728004 tox21-ror-cho-viability-p1 set3 4 -1.04466692 -2.07708379 -7.36045608 -1.44961991 -8.41715829 4.62342224 4.82581483 -5.84785042 4.26879484 -4.56902773 -7.36313163 6.18834852 4.85814823 1.30777706 -6.65538124 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00255559-01 196728023 tox21-ror-cho-viability-p1 set3 4 2.94359318 5.99239058 1.21326683 3.08502199 4.71358562 4.59559911 6.49763733 4.35892612 3.20709184 3.46977588 0.98154584 2.0534871 2.3721748 4.26209612 -1.30803875 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68916-76-7 144211608 Bran Tox21_301291 -NCGC00255587-01 196728422 tox21-ror-cho-viability-p1 set3 4 -2.42996405 1.44615247 -4.81735254 -12.30805742 -1.17486355 1.9234855 2.78406855 6.70523258 2.45667114 -3.64894313 -1.4956617 -5.47818998 -11.13261096 -6.71839626 -4.16655947 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2631-37-0 17516 144211741 A A Promecarb O=C(Oc1cc(C)cc(c1)C(C)C)NC Tox21_301424 -NCGC00256769-01 196718927 tox21-ror-cho-viability-p1 set2 4 -1.90823417 -2.06249506 2.72278408 -0.03751849 4.61788991 2.7149041 -0.507672 0.56964054 2.20911266 -1.72442372 3.47644645 2.07097599 0.0376459 -0.70490725 -1.76899841 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-31-2 8175 144212973 F F Decanal CCCCCCCCCC=O Tox21_302656 -NCGC00091902-08 196718113 tox21-ror-cho-viability-p1 set2 4 34.3762428541 -14.972462628 -2 -16.972462628 1.55794881 0.6873735538 0.0443318685 0.92861521 -5.09225617 -1.59689013 -0.77396504 0.82173173 -7.31295383 -1.53032508 -3.865469 -3.25326672 -0.97394348 -1.49263205 -0.37517173 -9.48349112 -8.57484298 -14.97705219 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00094532-06 196718114 tox21-ror-cho-viability-p1 set2 4 -1.89324672 -6.63925524 -0.80944822 -2.18271842 -0.20983191 -1.81394583 -0.35399585 -0.26713 -1.5668444 -1.41594558 -1.10893819 0.36058584 -1.01631705 1.0775696 -2.24749587 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00164127-03 196718527 tox21-ror-cho-viability-p1 set2 -2.1 61.130564862 -96.3588994203 -0.5685883949 -96.9274878152 4.4494702849 0.9914198375 3E-10 1.02958198 -0.20758622 -0.78168608 1.55432561 -0.27731476 -0.41505225 2.40748409 -2.4117466 0.25559111 -6.44884045 -0.31112509 -0.23992294 -1.25372786 -15.49686693 -83.27839986 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00256514-01 196718939 tox21-ror-cho-viability-p1 set2 4 0.0385707789 6.566464688 -3.566464688 3 3.1319983358 0.3491060382 0.3371188105 0.38567434 0.59881738 -1.81259859 -15.05538724 -0.96550214 2.98041598 0.9548613 7.78957535 5.36395039 4.33851806 3.18098247 1.17272807 -1.19022256 0.9992985 -2.05398083 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 134-29-2 8638 144213124 A C 2-Methoxyaniline hydrochloride Cl.Nc1ccccc1OC Tox21_302807 -NCGC00257127-01 196718945 tox21-ror-cho-viability-p1 set2 4 -1.35251557 -0.98501689 2.70051392 1.61945028 -0.69572201 4.51826211 -1.21411951 6.11591914 3.43339494 0.38512211 5.50082258 0.06562623 1.46812003 1.76117077 -1.41308396 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-20-9 7488 144213483 F F 1,4-Benzenedicarbonyl dichloride O=C(Cl)c1ccc(cc1)C(Cl)=O Tox21_303166 -NCGC00258135-01 196715629 tox21-ror-cho-viability-p1 set2 -1.1 10.8486162851 -94.3129827921 1.5184245871 -92.794558205 2.9522712143 0.9966324874 0.0083898797 1.1996191 1.94012033 1.76260321 2.52206866 1.75617277 6.924893 -0.34892759 1.79085505 0.2723336 -1.98899943 -2.25904904 -81.0448222 -43.73603331 -89.79277091 -94.30341281 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009203 121107-18-4 22678982 144207779 A A Methyltrioctylammonium trifluoromethanesulfonate C[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.FC(F)(F)S([O-])(=O)=O Tox21_200581 -NCGC00254929-01 196715212 tox21-ror-cho-viability-p1 set2 4 5.4482673282 -12.30083178 2 -10.30083178 0.3 0.5697655343 0.1369533313 0.31449413 0.92706635 2.76706932 0.06557453 0.27303348 -4.04979813 -2.34226403 0.64682194 -0.12509346 -5.31748645 -3.43758658 -2.17679327 -9.00069315 -4.60268417 2.6484353 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-45-7 7654 144211344 A A 2-Phenylethyl acetate CC(=O)OCCc1ccccc1 Tox21_301027 -NCGC00253927-01 196715219 tox21-ror-cho-viability-p1 set2 4 0.0769588215 -5.6385500799 0 -5.6385500799 4.4494702849 0.4068816717 0.2832139077 0.44942854 -0.16284523 0.24259129 0.41289505 -2.63525125 0 -12.6154584 -5.85123507 -4.69486501 -6.47765987 -0.74842689 -11.16579983 -5.9540489 -0.14969947 0.60279251 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-39-0 6595 144210321 B Methacrylamide C=C(C)C(N)=O Tox21_300001 -NCGC00254732-01 196715220 tox21-ror-cho-viability-p1 set2 4 0.35402691 0.96062087 2.89314307 -0.52573559 -0.04184501 2.30060549 3.9636343 0.01027946 3.29510093 2.76645812 2.77219533 2.32671569 5.81557539 4.02178696 6.56996629 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98967-40-9 91759 144211145 A A Flumetsulam Fc3cccc(F)c3NS(=O)(=O)c1nc2nc(C)ccn2n1 Tox21_300828 -NCGC00257720-01 196715630 tox21-ror-cho-viability-p1 set2 4 1.48598008 0.43532687 0.27278727 0.46552714 0.39882416 2.60065412 2.57007323 4.75536946 1.12687542 2.42472506 0.22508744 1.40419327 1.03881883 1.54221342 1.50901869 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13838-16-9 3226 144207364 FNS Enflurane FC(Cl)C(F)(F)OC(F)F Tox21_200166 -NCGC00258766-01 196715638 tox21-ror-cho-viability-p1 set2 4 -1.65124272 1.28377871 -1.42232116 -2.12849181 -2.67226897 -2.4995681 0.34125017 -1.05103397 -0.52301878 -0.16439129 -0.84757337 -2.38736417 -1.42719851 0.02582584 -2.07855611 1.198E-9 2.68E-9 5.992E-9 1.34E-8 2.996E-8 6.7E-8 1.4979999999E-7 3.35E-7 7.491E-7 0.000001675 0.000003745 0.000008375 0.00001873 0.00004187 0.00009363 78-83-1 6560 144208412 A Ac 2-Methyl-1-propanol CC(C)CO Tox21_201214 -NCGC00258174-01 196716043 tox21-ror-cho-viability-p1 set2 4 12.75972588 0.18255349 2.00729887 0.2556443 10.25088734 15.05168002 11.19347439 13.38141965 3.66805382 -1.64726431 11.71098311 13.75150931 3.14619685 16.4602805 16.33081585 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.3289999999E-7 7.445E-7 0.000001665 0.0000037219999999 0.000008324 0.00001861 0.00004162 0.00009306 367-25-9 9709 144207818 A A 2,4-Difluoroaniline Fc1ccc(N)c(F)c1 Tox21_200620 -NCGC00257621-01 196729882 tox21-ror-cho-viability-p1 set3 4 0.29894067 -3.34209073 0.26296489 -4.16944507 -2.45020674 -0.81741176 0.51336942 1.13925988 -3.86016954 1.89406275 -1.46003971 0.11360048 4.45866279 0.67170546 -6.16665355 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.593E-8 1.474E-7 3.297E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009214 78-79-5 6557 144207265 FNS Isoprene C=C(C)C=C Tox21_200067 -NCGC00090910-03 196729879 tox21-ror-cho-viability-p1 set3 4 2.8616299683 -6.4503264399 0 -6.4503264399 3.0654483358 0.4869895981 0.1912691037 -0.18608916 -3.23169108 1.03495814 1.21764789 0.42955418 -0.95219668 2.17397893 1.07762704 -2.74921458 -1.32517695 -2.77079765 -13.2919387 -7.0107502 0.36008104 -7.58253915 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00256020-01 196728302 tox21-ror-cho-viability-p1 set3 4 0.45274902 -1.8803196 -2.60230874 -0.69305273 1.82785009 -4.31007635 2.78836395 4.44818185 -0.10457 0.05987967 -0.57728777 -1.68141811 -0.33709712 1.21982243 5.61355587 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3848-24-6 19707 144212666 F 2,3-Hexanedione CC(=O)C(=O)CCC Tox21_302349 -NCGC00255769-01 196727877 tox21-ror-cho-viability-p1 set3 4 27.3060203028 -10.1359964799 3 -7.1359964799 4.9549173134 0.5734409147 0.1174253682 0 0.79917575 6.94265527 5.99418546 4.37400056 -3.3354736 4.611239 5.27936983 -0.85835866 3.89735639 6.91511325 3.44373063 2.71391733 -7.6133304 -5.92936404 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 350-03-8 9589 144212436 A Fns 3-Acetylpyridine CC(=O)c1cccnc1 Tox21_302119 -NCGC00256308-01 196727891 tox21-ror-cho-viability-p1 set3 4 -2.9525606 -1.59969227 0.96437193 1.64761113 4.41117705 4.25081197 11.49324665 6.42811154 14.08012523 -8.83223981 12.44375383 14.07919276 4.36396891 -5.37786471 0.02342053 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25354-97-6 32912 144211987 A A 2-Hexyldecanoic acid O=C(O)C(CCCCCCCC)CCCCCC Tox21_301670 -NCGC00255207-01 196728296 tox21-ror-cho-viability-p1 set3 4 0.34277911 -4.36573534 -0.71451771 -9.45599383 1.39059912 -2.7717031 -0.18004324 -6.85091601 -0.30137483 -2.83774987 -4.57310506 -8.54630022 -5.87219109 -7.24846589 -3.45938925 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6789-88-4 23235 144212664 A F Hexyl benzoate O=C(OCCCCCC)c1ccccc1 Tox21_302347 -NCGC00255503-01 196728313 tox21-ror-cho-viability-p1 set3 4 2.89460212 -3.3571823 -2.9427847 -6.91159784 -2.53572317 0.89267826 1.00406721 -5.27140363 -3.63984413 -7.60833076 -3.23730814 -5.80392764 -7.60487224 -0.29768476 5.25361742 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4684-94-0 20812 144211920 A A 6-Chloro-2-picolinic acid OC(=O)c1cccc(Cl)n1 Tox21_301603 -NCGC00255168-01 196728710 tox21-ror-cho-viability-p1 set3 4 0 1.62808929 -1.3979583 7.22472354 0.58649958 0.91222648 -1.3668828 7.49728205 0.16576238 -0.38200249 -1.53071521 -0.69548724 -4.35818747 1.19248918 -5.90015272 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-57-2 54675779 144212697 D Oxytetracycline NC(=O)C=3C(=O)[C@@]4(O)C(O)=C2C(=O)c1c(O)cccc1[C@@](C)(O)[C@H]2[C@H](O)[C@H]4[C@@H](C=3O)N(C)C Tox21_302380 -NCGC00255919-01 196728713 tox21-ror-cho-viability-p1 set3 4 2.84012462 7.36306465 7.76245416 11.58096273 9.40628182 12.96078304 0.75801216 -8.4894742 7.68319691 11.86411397 -4.92086663 -2.850671 -7.31750956 10.7950818 4.58026197 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13361-34-7 96359 144212461 A C 2-Ethylhexyl cyanoacetate O=C(CC#N)OCC(CCCC)CC Tox21_302144 -NCGC00256088-01 196729126 tox21-ror-cho-viability-p1 set3 4 -4.81371315 -1.31476573 3.68817469 -1.79703995 0.54330902 3.29264981 3.14893689 2.8778759 4.07504039 0.4444661 3.05972343 -6.02154499 0.64027525 -1.54490928 -0.26613774 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1985-51-9 16135 144211980 A Fc 2,2-Dimethylpropane-1,3-diyl bis(2-methylprop-2-enoate) O=C(OCC(C)(C)COC(=O)C(=C)C)C(=C)C Tox21_301663 -NCGC00090721-03 196729134 tox21-ror-cho-viability-p1 set3 4 -4.81986935 1.00189312 -0.16032835 8.0106443 1.75009289 3.93030801 -0.35318989 -1.47408637 7.87370351 0.20668639 -2.95646945 -0.45188342 0.75197541 0.29364739 0.19376946 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00260607-01 196711268 tox21-ror-cho-viability-p1 set2 4 37.5780357627 -29.7951813799 -4 -33.7951813799 4.9549173134 0.516418266 0.1636795008 1.40563274 0.73874123 2.00025354 -14.56638954 -0.2354932 2.60744726 -8.50411558 -9.22289237 -2.18486025 -14.88463062 -8.9693685 -0.56811351 0 -1.11349277 -28.16265115 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49503 144210260 M M NTP Mix10 AR1 8-EQC Tox21_203062 -NCGC00260330-01 196711278 tox21-ror-cho-viability-p1 set2 2.4 2.4877231374 23.9011585361 0.0988414639 24 0.8999999999 0.8303263359 0.003949275 -1.60074975 1.69027811 4.00939515 -2.5308763 0.31498881 0.72997999 -2.83429878 1.63152012 1.56056902 -1.32485599 1.19610787 6.1971543 8.5044171 7.89931259 17.70544733 6.14E-11 1.373E-10 3.0699999999E-10 6.865E-10 1.5349999999E-9 3.4329999999E-9 7.6759999999E-9 1.716E-8 3.838E-8 8.5819999999E-8 1.919E-7 4.2909999999E-7 9.594E-7 0.000002145 0.0000047969999999 645-05-6 2123 144209982 A A Hexamethylmelamine CN(C)c1nc(nc(n1)N(C)C)N(C)C Tox21_202784 -NCGC00260521-01 196711673 tox21-ror-cho-viability-p1 set2 4 43.5413235903 14.1282762001 0.3717237999 14.5 2.2526478767 0.7519894805 0.019136783 4.20691785 -1.57027046 2.95859131 0.75524694 -1.7735635 -1.28052715 -0.36188276 -1.57984471 0.29324359 -1.29661012 3.23610402 1.15499281 -0.35778513 8.66492248 12.05095489 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.6299999999E-8 1.4829999999E-7 3.315E-7 7.4129999999E-7 0.0000016579999999 0.0000037059999999 0.000008288 0.00001853 0.000041439999999 0.00009266 120-75-2 8446 144210173 A A 2-Methylbenzothiazole Cc1nc2ccccc2s1 Tox21_202975 -NCGC00256979-01 196707536 tox21-ror-cho-viability-p1 set1 4 -0.04495911 -8.62654292 -6.83878527 -3.23714946 1.16657454 -2.7477045 -4.94310212 -13.52060828 -9.72600337 -3.757721 -14.19993434 -5.93929612 -0.56291162 -2.97947095 -16.96491266 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-70-6 7104 144213600 A A 3-Hydroxy-2-naphthoic acid O=C(O)c1cc2ccccc2cc1O Tox21_303283 -NCGC00163953-03 196706725 tox21-ror-cho-viability-p1 set1 -3 72.7253077472 -42.0985270988 -4 -46.0985270988 3.1319983358 0.7586007846 0.0170083618 -9.8327921 -2.41867684 -9.75316796 -14.18797094 -0.60888438 -0.04138754 -1.31923487 -2.00181184 -6.08417229 -1.76015413 -4.34705351 2.00601659 -8.34239759 -9.38811426 -34.92312659 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00091602-02 196707124 tox21-ror-cho-viability-p1 set1 4 -5.16398407 -4.97317524 -0.71445434 -14.12786734 -7.89008627 -10.34084221 -5.07005715 0.99718546 -0.71950996 0.31186753 -5.46389016 -0.91164364 0.60238208 -14.12851396 -5.97803396 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00256548-01 196707129 tox21-ror-cho-viability-p1 set1 4 4.97127652 1.53925521 0.09099903 1.48006178 0.93690672 -2.10144089 2.50539312 0.6207176 0.17629226 1.4921166 5.66768919 6.94806835 0.5713315 3.47732003 2.79209131 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 64-77-7 5505 144213112 A A Tolbutamide Cc1ccc(cc1)S(=O)(=O)NC(=O)NCCCC Tox21_302795 -NCGC00256525-01 196707545 tox21-ror-cho-viability-p1 set1 4 0.11367945 3.37808483 6.07175396 3.29097975 4.67218595 3.05716543 0.01245102 6.62124692 -3.35621459 1.24711457 3.40955815 3.92755603 3.09789117 4.11849709 14.55642026 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-78-1 16666 144213316 A Ac dl-Menthol CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O Tox21_302999 -NCGC00256786-01 196707972 tox21-ror-cho-viability-p1 set1 4 2.9164661 -0.35894302 1.53513365 0.32055843 2.4030993 -0.09493324 0.86686768 12.33009257 2.76351307 -1.02508821 1.6850781 2.01096496 8.58305587 2.61427823 12.81539456 1.227E-9 2.743E-9 6.134E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 765-70-8 61209 144212946 A A 3-Methyl-1,2-cyclopentanedione O=C1C(=O)CCC1C Tox21_302629 -NCGC00258811-01 196708380 tox21-ror-cho-viability-p1 set2 4 9.905704341 4.733129804 -0.233129804 4.5 3.1319983358 0.5837265613 0.1119652218 2.83321431 0.13734272 -0.04192903 -0.6462531 -1.04851297 -0.85550469 -2.27760817 0.01586155 -0.12119453 0.38099765 0.00185163 -0.01177909 7.98740203 2.77483742 3.65319816 1.202E-9 2.687E-9 6.008E-9 1.3429999999E-8 3.0039999999E-8 6.7169999999E-8 1.5019999999E-7 3.359E-7 7.51E-7 0.000001679 0.0000037549999999 0.000008396 0.00001878 0.000041979999999 0.000093879999999 68-12-2 6228 144208457 A Fc N,N-Dimethylformamide CN(C)C=O Tox21_201259 -NCGC00259171-01 196708393 tox21-ror-cho-viability-p1 set2 4 -0.42767003 0.32863635 -1.87990553 -1.58302195 3.97112389 0.27908088 0.69444131 -1.84541338 3.40584979 5.58525277 5.17721563 3.35472375 3.78629742 5.10476481 -3.42741028 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004128 0.00009231 298-07-7 9275 144208820 A A Bis(2-ethylhexyl) phosphate CCCCC(COP(O)(=O)OCC(CC)CCCC)CC Tox21_201622 -NCGC00259264-01 196708796 tox21-ror-cho-viability-p1 set2 4 -0.12213658 -1.37486595 -3.12847674 1.0494717 -0.24511306 -1.6602625 2.02521525 0.8771922 2.00715205 -2.89105504 3.17081984 -0.07979134 3.68479487 2.2179272 1.37316753 1.212E-9 2.71E-9 6.059E-9 1.3549999999E-8 3.029E-8 6.774E-8 1.515E-7 3.387E-7 7.5729999999E-7 0.000001693 0.000003787 0.000008467 0.00001893 0.00004234 0.00009467 111-85-3 8142 144208913 FC 1-Chlorooctane CCCCCCCCCl Tox21_201715 -NCGC00259726-01 196708797 tox21-ror-cho-viability-p1 set2 4 2.48382667 0.65626815 -6.88090963 -5.33800482 -4.46959673 -2.11306059 0.29836212 -6.03937296 -1.78669472 2.47590451 -0.30477669 -2.67604288 -3.65512166 -2.46519941 -4.72051098 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.9479999999E-8 6.591E-8 1.474E-7 3.295E-7 7.369E-7 0.000001648 0.000003684 0.000008239 0.00001842 0.00004119 0.00009211 64092-48-4 16220118 144209375 A A Sodium zomepirac [Na+].Cc2cc(CC([O-])=O)n(C)c2C(=O)c1ccc(Cl)cc1 Tox21_202177 -NCGC00257393-01 196719335 tox21-ror-cho-viability-p1 set2 4 34.3762428541 -18.8000738159 2 -16.8000738159 1.8579476909 0.8232668251 0.0047195173 -2.21775864 2.54837995 1.27653135 2.51427579 -0.18060504 4.09181548 1.90274374 4.51664499 -0.83252951 6.19251427 2.35531118 2.57522055 -4.84749005 -6.96035202 -15.66672818 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 549-18-8 11065 144213917 A A Amitriptyline hydrochloride Cl.CN(C)CC\C=C1\c3ccccc3CCc2ccccc12 Tox21_303612 -NCGC00259465-01 196721375 tox21-ror-cho-viability-p1 set3 4 44.4239088531 14.715874404 -8.215874404 6.5 3.0654483358 0.4164670024 0.2563748502 -13.51322867 -7.81185046 -7.20007376 5.16154975 -8.61399164 -8.91245007 -3.97154897 -11.62415218 -12.1008916 -6.51937901 -10.90752123 -9.65261478 -9.97962972 -0.5671554 4.98572661 1.206E-9 2.697E-9 6.0309999999E-9 1.349E-8 3.016E-8 6.743E-8 1.5079999999E-7 3.372E-7 7.539E-7 0.0000016859999999 0.00000377 0.000008429 0.00001885 0.000042149999999 0.000094239999999 77191-36-7 71157 144209114 A A Nefiracetam O=C2CCCN2CC(=O)Nc1c(C)cccc1C Tox21_201916 -NCGC00259033-01 196721753 tox21-ror-cho-viability-p1 set3 4 32.2650876625 13.794704552 -7.794704552 6 2.2481167061 0.8934766061 0.0004483867 -11.07892046 -7.15760724 -7.58537417 -10.31453526 -6.80254594 -5.78663864 -8.0128493 -8.35227098 -6.64437153 -6.70920026 -7.18045838 -7.4255792 -3.61820821 0.97900944 5.77784455 1.2319999999E-9 2.755E-9 6.161E-9 1.378E-8 3.08E-8 6.8879999999E-8 1.54E-7 3.444E-7 7.7009999999E-7 0.000001722 0.000003851 0.0000086099999999 0.00001925 0.000043049999999 0.00009626 111-49-9 8119 144208680 A Fns Hexamethyleneimine C1CCCCCN1 Tox21_201482 -NCGC00254470-01 196720163 tox21-ror-cho-viability-p1 set3 4 13.6854287769 -13.605209944 11 -2.605209944 0.6999999999 0.3634980265 0.3070510221 17.37306063 9.69680111 2.07422182 10.45283378 19.24465539 4.20201158 16.60828364 10.79844058 4.19844534 4.83578766 11.86128221 5.27194644 5.86888363 -0.50434162 -0.08888155 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 335-76-2 9555 144210925 PFDA FC(F)(C(F)(F)C(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300608 -NCGC00253966-01 196719736 tox21-ror-cho-viability-p1 set3 4 -4.80324181 -7.87067536 2.84559825 -1.06587972 -2.27290301 0.17477337 -3.72273056 3.54466314 -7.70399861 -8.05129914 -4.08901081 -2.282001 -4.99676327 1.33320139 -4.57558205 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-11-2 7910 144210403 A Ac 4-Methyl-2-pentanol CC(C)CC(C)O Tox21_300083 -NCGC00254365-01 196719748 tox21-ror-cho-viability-p1 set3 4 4.8557733675 12.5059393679 -7.5059393679 5 0.3 0.4424339799 0.2328704029 -3.59578099 -11.67161614 -3.34902519 -9.98152672 -1.06125778 -7.78504674 -0.55556148 -1.22044019 -4.99579045 -1.80792706 -4.76258547 -1.59424627 -0.30112063 2.67248187 1.57366634 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-66-1 3121 144210920 A A Valproic acid CCCC(CCC)C(=O)O Tox21_300603 -NCGC00254459-01 196720166 tox21-ror-cho-viability-p1 set3 4 3.44478405 13.51138611 -7.5313101 -5.13673733 15.01542 14.24878025 12.86729985 -4.73581403 13.931983 11.644011 11.79007076 9.44041281 5.35045429 6.90948943 0.4100612 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-83-8 6989 144210676 A A Thymol CC(C)c1ccc(C)cc1O Tox21_300358 -NCGC00091532-04 196720167 tox21-ror-cho-viability-p1 set3 -2.2 34.7961750105 -47.631845781 5 -42.631845781 1.713743691 0.8147456858 0.0057363434 4.35594904 -1.71939975 4.41484428 16.11436735 -1.02965438 7.1242271 -0.42027637 18.71677855 7.52742821 0.32773218 -0.4915605 0.38137298 -9.48545207 -18.62148498 -40.45774876 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00254819-01 196720172 tox21-ror-cho-viability-p1 set3 4 9.04337125 1.71316682 -5.34532421 6.44790825 5.85751387 7.90162882 0.3409423 6.17071536 0.32585235 6.34292616 13.90452975 1.69486666 13.06075568 -2.45082612 4.64415339 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1929-82-4 16004 144211233 A A Nitrapyrin ClC(Cl)(Cl)c1cccc(Cl)n1 Tox21_300916 -NCGC00164168-02 196720563 tox21-ror-cho-viability-p1 set3 4 0.7624387 -1.76683943 -7.74775963 -0.68022938 -7.75516008 -2.90167236 -5.83611002 -3.17178578 -1.32543718 -2.15139725 -0.14739204 -2.61412953 -1.75474309 0.71668619 -1.41110081 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00254003-01 196720567 tox21-ror-cho-viability-p1 set3 1.4 0.0061130565 20.143801756 -20.143801756 0 0.6 0.7922194008 0.0093772489 -13.13562009 -15.95316813 -11.18821239 -2.36452298 -4.77621804 -8.90304022 -3.04231398 -0.16288504 -0.22347875 -3.27126097 -1.42172587 1.62239928 1.27525092 -1.53479645 0.5050856 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-90-0 8146 144210400 A A 2-(2-Ethoxyethoxy)ethanol OCCOCCOCC Tox21_300080 -NCGC00254143-01 196720570 tox21-ror-cho-viability-p1 set3 4 5.57027489 -0.76951567 0.73150109 5.86762797 -2.68092069 -5.47784739 -0.31299305 -2.26770801 7.50517553 -5.57278743 10.23270958 -4.98959969 3.41096507 4.63840371 9.10953474 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4098-71-9 169132 144210618 F Isophorone diisocyanate O=C=N\C1CC(C)(C)CC(C)(C1)C\N=C=O Tox21_300298 -NCGC00256307-01 196728831 tox21-ror-cho-viability-p1 set3 4 76.9588215421 33.391534144 0.608465856 34 4.9549173134 0.4789794673 0.1970521227 1.12848578 -1.05686527 -4.23286212 9.95250028 3.45477492 -1.08918479 1.17533183 -2.0708524 -11.99294512 -6.94626268 11.09069811 -1.30031848 14.35587028 -1.29296672 26.67303991 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15930-66-2 85192 144212094 A A 3-(Octyloxy)propan-1-amine NCCCOCCCCCCCC Tox21_301777 -NCGC00163953-03 196728399 tox21-ror-cho-viability-p1 set3 -3 72.7253077472 -61.2685340549 0.5683260509 -60.700208004 4.9549173134 0.738653397 0.022995958 0.75316338 -0.50620876 -1.34224392 -3.39587024 1.78485802 -1.55407699 4.99298741 -10.94407931 2.26502002 -3.83107839 -12.70473275 11.15496182 2.14193596 13.73323282 -50.58350667 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00091839-03 196728404 tox21-ror-cho-viability-p1 set3 -2.4 76.9588215421 -28.666581008 -2 -30.666581008 4.4494702849 0.8253935968 0.0044727441 0.48270475 3.72710251 1.2366071 -1.94366857 -0.29823019 -2.68524664 -2.2388491 -5.38856027 -2.19649758 -1.39391797 -3.81214945 -4.19408943 -5.02158807 -3.52671858 -22.22215084 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00256042-01 196728814 tox21-ror-cho-viability-p1 set3 4 -24.64306267 4.4854894 5.27422666 0.78192205 4.94340212 2.85957936 4.71410878 -0.41652306 2.4170363 1.32319738 3.26894558 -3.11546892 -3.84145777 -3.14995196 -0.18519761 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 623-03-0 12163 144211794 A A 4-Chlorobenzonitrile N#Cc1ccc(Cl)cc1 Tox21_301477 -NCGC00091253-05 196728834 tox21-ror-cho-viability-p1 set3 4 -7.08330377 2.74064091 -2.08982605 7.50504487 6.06667386 5.86942591 8.39277399 8.33749058 -3.07726969 6.8886983 -4.03108279 2.94432004 -2.55384935 -3.21857145 -0.21868085 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00258763-01 196729231 tox21-ror-cho-viability-p1 set3 -2.4 42.9252797402 -26.372565616 -3.804601016 -30.177166632 1.21 0.9068889052 0.0002264486 -6.04958687 -4.78398025 -2.18946618 -4.72030933 -4.66157329 -0.25383418 -5.77515733 -4.35157886 -6.01166822 -1.07945582 -6.75632565 -6.16957217 -10.12161562 -16.13660577 -25.14763886 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.551E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.000003662 0.0000081889999999 0.00001831 0.00004095 0.00009156 533-31-3 68289 144208409 A A Sesamol Oc1ccc2OCOc2c1 Tox21_201211 -NCGC00256448-01 196726817 tox21-ror-cho-viability-p1 set3 4 0.086349218 4.600863028 -1.100863028 3.5 1.111 0.5418961567 0.1618741955 0.0691335 0.68537119 -5.50071919 0.45053369 0.60018658 1.38227905 1.70450009 0.58834572 4.37428766 4.54497107 5.02171118 3.59348132 2.57116029 1.58276474 -0.35554237 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-20-3 24730 144213065 A A Triisopropanolamine CC(O)CN(CC(C)O)CC(O)C Tox21_302748 -NCGC00257074-01 196726405 tox21-ror-cho-viability-p1 set3 4 0.0408964459 5.7186578479 -2.7186578479 3 0.8999999999 0.3974952033 0.2769400524 -0.29697859 -4.09325203 -4.34888154 0.86553963 1.6449067 -2.17253343 3.18453007 3.10976361 0.23032698 4.18697146 0.44208938 8.76549051 1.1901346 -0.24834469 4.26121333 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 1571-08-0 15294 144213619 A F Methyl 4-formylbenzoate COC(=O)c1ccc(cc1)C=O Tox21_303302 -NCGC00257407-01 196726406 tox21-ror-cho-viability-p1 set3 4 1.60217748 -5.02749633 -5.35102735 0.46305306 0.84288224 1.24773284 -0.56365949 1.46997948 2.81810513 1.28401481 0.42287623 1.47910162 0.88009514 0.28508129 1.63702064 1.121E-9 2.506E-9 5.6039999999E-9 1.2529999999E-8 2.802E-8 6.265E-8 1.401E-7 3.133E-7 7.005E-7 0.000001566 0.0000035019999999 0.000007831 0.00001751 0.00003916 0.00008756 13674-84-5 26176 144213839 A A Tris(2-chloroisopropyl)phosphate ClCC(C)OP(=O)(OC(C)CCl)OC(C)CCl Tox21_303533 -NCGC00257182-01 196726409 tox21-ror-cho-viability-p1 set3 4 0.0015355304 -12.9859170481 14 1.0140829519 4.9549173134 0.8099330919 0.0066127532 11.54966195 -0.40713201 -0.82159754 0.11376913 1.71296068 -0.51617491 0.82927376 1.53791099 1.7152113 0.34023758 2.6953103 0.26306027 1.88801766 1.16368642 3.49757305 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 372-09-8 9740 144213472 A A Cyanoacetic acid N#CCC(=O)O Tox21_303155 -NCGC00256868-01 196727219 tox21-ror-cho-viability-p1 set3 4 -3.59387167 -3.87322874 -6.64947422 -1.66746893 -5.58279749 -3.45083155 -1.60305679 -1.67060983 -2.10941603 -5.42209763 -0.36475829 -4.40503589 -5.94109414 -4.27495687 -1.73561282 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-80-8 8137 144212763 A F Methyl 2-nonynoate O=C(C#CCCCCCC)OC Tox21_302446 -NCGC00256447-01 196727220 tox21-ror-cho-viability-p1 set3 4 0.0086349218 7.944083564 -5.944083564 2 4.9549173134 0.7909772877 0.0097430492 -3.08048462 -8.70340297 -4.90617583 0.91564602 1.63455904 0.01570785 1.65640591 2.82172396 3.19236651 2.19280782 4.28347131 1.02993482 -0.02774019 2.17906671 4.0939259 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-69-3 7103 144213051 A A 4-Phenylphenol Oc1ccc(cc1)c2ccccc2 Tox21_302734 -NCGC00256388-01 196727226 tox21-ror-cho-viability-p1 set3 4 -4.85255413 -0.55467995 2.17796079 -4.93875496 -2.82033825 2.54299571 -6.19975209 -18.50250392 -1.18973155 -0.6416672 0 -6.01097201 -3.68343852 2.33431968 -5.23970544 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.0000189 0.00004225 0.00009448 620-17-7 12101 144213309 A A 3-Ethylphenol CCc1cc(O)ccc1 Tox21_302992 -NCGC00163906-02 196715339 tox21-ror-cho-viability-p1 set2 4 13.6854287769 -11.406696244 0 -11.406696244 2.7202212143 0.8003311243 0.0112106416 -0.04883992 0.24603754 1.66031348 0.02123474 -1.43119059 -1.77049807 -3.24810006 -2.4182188 1.76987213 1.34272011 0.43219089 -0.8259375 -9.92224687 -9.90516766 -2.38381112 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00254350-01 196714946 tox21-ror-cho-viability-p1 set2 4 -2.54196597 -1.38181187 -3.39535428 -2.86745527 -2.22682172 -2.6137576 -2.57653677 0.84362932 -0.96162423 -2.93872707 -1.9663177 -3.75800524 1.68874066 0.67285132 -0.57780264 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123122-55-4 5362417 144210768 A A Candoxatril O=C(N[C@@H]1CC[C@@H](CC1)C(=O)O)C4(C[C@@H](COCCOC)C(=O)Oc2cc3CCCc3cc2)CCCC4 Tox21_300450 -NCGC00258612-01 196715338 tox21-ror-cho-viability-p1 set2 4 0.83850999 2.82149897 1.9339323 4.1132321 3.99674886 0.6809533 2.13611778 1.33728528 2.38234666 2.67212685 3.28581423 7.02275819 -0.55797071 0.29037853 1.96923947 1.171E-9 2.618E-9 5.854E-9 1.3089999999E-8 2.927E-8 6.545E-8 1.464E-7 3.2729999999E-7 7.3179999999E-7 0.0000016359999999 0.0000036589999999 0.000008182 0.00001829 0.000040909999999 0.000091469999999 100-50-5 7508 144208257 A D 3-Cyclohexene-1-carboxaldehyde O=CC1CC=CCC1 Tox21_201059 -NCGC00255091-01 196714957 tox21-ror-cho-viability-p1 set2 4 -2.00383572 -0.08790145 -1.35624973 0.06763247 -3.01719974 -0.63953063 -0.16527878 0.69471395 -0.02768481 -1.39778064 -2.8156345 -1.1642271 1.36270772 -0.25056653 -6.60451756 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 79241-46-6 3033674 144211510 A A Fluazifop-P-butyl O=C(OCCCC)[C@@H](C)Oc1ccc(cc1)Oc2ccc(cn2)C(F)(F)F Tox21_301193 -NCGC00254880-01 196714551 tox21-ror-cho-viability-p1 set2 4 1.54305172 -4.67553694 2.13953442 -5.81853179 -1.81978862 -2.97211786 -5.23755186 -2.15699907 -3.34111502 -8.35676962 -4.19900908 -1.61317716 -1.48961738 0.76313372 -10.26145949 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56578-18-8 5283292 144211295 A A (E)-5-Decen-1-ol CCCC\C=C\CCCCO Tox21_300978 -NCGC00254692-01 196714952 tox21-ror-cho-viability-p1 set2 -2.4 76.8805649772 -28.757824788 1 -27.757824788 4.9549173134 0.9362817836 0.0000314852 -0.10657129 1.68183652 2.04137473 0.36830546 0.50969977 2.56648581 1.83934133 -1.48709329 0.16803765 0.97627627 1.90058003 0.9198585 -1.70754793 2.08093871 -21.46485399 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 120116-88-3 9862076 144211105 F F Cyazofamid N#Cc2nc(Cl)c(c1ccc(C)cc1)n2S(=O)(=O)N(C)C Tox21_300788 -NCGC00255102-01 196714954 tox21-ror-cho-viability-p1 set2 4 0.43390166 -1.08391563 -0.22425424 -1.37851562 -0.16976529 -0.64434236 -0.34493074 -1.25666402 -1.3775776 0.55016523 -0.17692297 -0.67451332 3.98806845 0.11263707 4.32219995 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 106-71-8 7825 144211522 A A 2-Cyanoethyl prop-2-enoate C=CC(=O)OCCC#N Tox21_301205 -NCGC00254572-01 196714962 tox21-ror-cho-viability-p1 set2 4 34.990864662 10.085040164 -5.585040164 4.5 3.0654483358 0.4021213363 0.2710834231 -7.4379777 -1.19727665 1.18607675 -6.34763993 -2.15159318 -1.93169776 -10.48753347 -8.8928505 -4.87423284 -10.05318157 -5.46385913 -7.2112194 -6.51290678 0.48509553 3.87247509 1.088E-9 2.4339999999E-9 5.441E-9 1.2169999999E-8 2.721E-8 6.084E-8 1.36E-7 3.042E-7 6.802E-7 0.000001521 0.0000034009999999 0.000007605 0.000017 0.00003802 0.00008502 102-87-4 7624 144210981 FNS Tridodecylamine CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC Tox21_300664 -NCGC00254057-01 196714963 tox21-ror-cho-viability-p1 set2 4 0.80871709 1.00030398 2.6554569 1.76530823 0.43938966 1.24282983 -0.03366008 -0.35049346 2.78531408 4.4374499 2.06474438 -5.82208629 4.22434272 1.87329767 2.61920388 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58-08-2 2519 144210330 A A Caffeine O=C2c1n(C)cnc1N(C)C(=O)N2C Tox21_300010 -NCGC00254597-01 196714969 tox21-ror-cho-viability-p1 set2 4 27.3060203028 7.04526382 -3.54526382 3.5 4.9549173134 0.4545086223 0.2422030815 -4.34499407 -4.2710699 -2.57070128 -6.17225479 -0.78280658 -7.53771985 -2.41271878 -2.36234835 -3.65612969 -3.4369363 -0.58230571 -5.19500108 -2.70237264 2.80727444 -5.79246927 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-20-5 7601 144211006 A A 2-Phenylethyl phenylacetate O=C(OCCc1ccccc1)Cc2ccccc2 Tox21_300689 -NCGC00254196-01 196714971 tox21-ror-cho-viability-p1 set2 4 0.64560686 1.44409369 -1.94073573 -6.346129 0.21503929 0.53312656 2.47609985 -6.19656639 1.80229346 -3.00080179 -6.40592075 2.75673108 -4.21913523 -3.86675909 -2.26881805 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3296-90-0 18692 144210616 A A 2,2-Bis(bromomethyl)-1,3-propanediol OCC(CBr)(CBr)CO Tox21_300296 -NCGC00258611-01 196715364 tox21-ror-cho-viability-p1 set2 4 2.48343409 0.86307834 1.90883653 1.13928305 0.49696877 0.25758238 -0.47098595 2.7490869 1.23011576 0.10032094 0.93617978 0.50329704 1.91876309 1.14327549 1.04723988 1.155E-9 2.583E-9 5.776E-9 1.291E-8 2.8879999999E-8 6.457E-8 1.444E-7 3.229E-7 7.2199999999E-7 0.000001614 0.0000036099999999 0.0000080719999999 0.000018049999999 0.00004036 0.000090239999999 545-06-2 11011 144208256 Trichloroacetonitrile ClC(Cl)(Cl)C#N Tox21_201058 -NCGC00258682-01 196715373 tox21-ror-cho-viability-p1 set2 4 3.80605276 3.38858988 1.94096103 1.08363899 4.41860877 3.92657684 6.45483673 3.60151559 6.21234478 5.44025996 3.3645886 1.61975599 1.47396044 1.68434456 -0.52229094 1.142E-9 2.5539999999E-9 5.7099999999E-9 1.277E-8 2.8549999999E-8 6.384E-8 1.428E-7 3.1919999999E-7 7.1379999999E-7 0.000001596 0.0000035689999999 0.000007981 0.00001785 0.000039899999999 0.00008923 2365-48-2 16907 144208328 A Ac Methyl thioglycolate O=C(OC)CS Tox21_201130 -NCGC00257001-01 196707179 tox21-ror-cho-viability-p1 set1 4 0.0086349218 -10.7080368839 -5.11726598 -15.8253028639 4.9549173134 0.6402904315 0.0824100609 -6.24442901 -5.09772165 -5.23844898 -16.52398272 -14.66873648 -18.47225873 -10.3542757 -17.70662018 -21.52108572 -17.51414348 -12.83188599 -9.71624473 -18.69594466 -16.02890011 -9.54205242 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 613-13-8 11937 144213616 B Fc 2-Aminoanthracene Nc1ccc2cc3ccccc3cc2c1 Tox21_303299 -NCGC00256807-01 196707191 tox21-ror-cho-viability-p1 set1 4 -0.54522236 -0.14344667 -0.31365092 0.7518846 -8.06233788 -2.37623433 8.67508806 1.12712408 -2.416922 2.53529643 0.35603311 0.48145802 0.60448832 -0.72654342 -2.73763478 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25332-39-2 62935 144213002 A A Trazodone hydrochloride Cl.Clc1cccc(c1)N2CCN(CC2)CCCN3N=C4C=CC=CN4C3=O Tox21_302685 -NCGC00259377-01 196706773 tox21-ror-cho-viability-p1 set1 4 -7.78124383 0.13786473 -6.95405522 -2.65948264 -1.4823162 0.31824296 -5.87285435 -0.66066617 3.22083785 3.07721035 -4.93917276 -0.2156125 -1.27360976 -1.39686084 -0.7013798 1.182E-9 2.6429999999E-9 5.9109999999E-9 1.322E-8 2.955E-8 6.608E-8 1.4779999999E-7 3.304E-7 7.388E-7 0.0000016519999999 0.0000036939999999 0.0000082599999999 0.000018469999999 0.000041299999999 0.00009235 583-39-1 707035 144209026 A A 2-Mercaptobenzimidazole S=C1Nc2ccccc2N1 Tox21_201828 -NCGC00258975-01 196706781 tox21-ror-cho-viability-p1 set1 -3 60.8819825247 -73.189623006 1.1552538879 -72.0343691181 4.9549173134 0.9859982286 6E-9 0.44092295 4.36276948 3.3071216 -0.11266611 1.02996768 1.46251465 4.92812055 -1.12036041 -1.31984724 3.69208425 -1.13776598 0.86134003 -0.03428835 -7.62314859 -63.51934057 1.1759999999E-9 2.63E-9 5.8799999999E-9 1.315E-8 2.94E-8 6.574E-8 1.4699999999E-7 3.2869999999E-7 7.35E-7 0.000001643 0.0000036749999999 0.000008217 0.00001837 0.00004109 0.00009187 101-72-4 7573 144208622 A B N-Isopropyl-N'-phenyl-p-phenylenediamine CC(C)Nc1ccc(cc1)Nc2ccccc2 Tox21_201424 -NCGC00091009-05 196707594 tox21-ror-cho-viability-p1 set1 4 54.9067494525 -11.6341199439 -1 -12.6341199439 0.8999999999 0.4196235557 0.2559449862 0.52646355 0.3137717 -5.22396836 0.52286756 -4.0548891 -0.38170512 1.62532824 -0.50153219 -4.57612729 -4.98956919 0.00036113 0.95803783 -5.5872475 -5.14640744 -8.86176662 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.00003772 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00257278-01 196707607 tox21-ror-cho-viability-p1 set1 4 0.0153553036 -12.963144856 -5.333021992 -18.296166848 0.7999999999 0.4905715413 0.2041555253 -13.92292709 -4.86211624 -3.61085166 -14.82815911 -16.21129141 -14.13758659 -12.90021086 -16.69948013 -23.58013904 -18.00477413 -21.75948664 -15.82829344 -17.4154123 -14.77942842 -8.10406244 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18328-90-0 87587 144213757 F Fns N-Ethyl-2-methyl-2-propen-1-amine C=C(C)CNCC Tox21_303447 -NCGC00259707-01 196708423 tox21-ror-cho-viability-p1 set2 4 51.53544402 -22.194275432 -2 -24.194275432 0.9999999999 0.5639561225 0.1244097512 0.22674191 3.11445672 -2.45548865 -6.24227009 3.42787929 -3.44994995 -1.69460801 -3.86393991 -6.18267092 -7.16912991 -7.73620976 1.86255984 -5.73424629 -16.82856286 -15.32790605 1.2399999999E-9 2.772E-9 6.198E-9 1.386E-8 3.099E-8 6.929E-8 1.549E-7 3.4649999999E-7 7.747E-7 0.0000017319999999 0.000003874 0.000008662 0.00001937 0.00004331 0.00009684 57-13-6 1176 144209356 Ac Urea NC(N)=O Tox21_202158 -NCGC00091380-04 196708425 tox21-ror-cho-viability-p1 set2 4 5.52942166 -1.41067187 5.22369615 4.66891741 1.91127931 1.97659334 2.09953555 0.35441453 2.37746323 2.67493346 2.46603538 3.23725946 6.14076544 2.42882938 1.15054772 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00259889-01 196708438 tox21-ror-cho-viability-p1 set2 4 4.65905857 2.66766014 3.41893532 2.51702739 -0.18500542 1.23005912 4.19324519 2.26866647 -0.23241546 3.55161838 4.09896015 0.9761667 3.78063406 6.5293734 4.02675135 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004128 0.00009231 111-96-6 8150 144209538 A Ac Bis(2-methoxyethyl) ether COCCOCCOC Tox21_202340 -NCGC00258855-01 196708839 tox21-ror-cho-viability-p1 set2 4 -0.73769677 0.29207648 1.49784112 -3.90218579 -1.70589823 0.1164709 1.10336997 -1.97830626 -0.30583498 -0.03778966 -1.78815818 -0.93636359 0.47297038 1.79277376 0.89060626 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.6299999999E-8 1.4829999999E-7 3.315E-7 7.4129999999E-7 0.0000016579999999 0.0000037059999999 0.000008288 0.00001853 0.000041439999999 0.00009266 2016-57-1 8916 144208501 AC Fc 1-Decanamine CCCCCCCCCCN Tox21_201303 -NCGC00259817-01 196708849 tox21-ror-cho-viability-p1 set2 4 0.15348506 0.26581394 1.45211318 0.85404319 0.89743786 -0.13186533 0.48729667 -0.66386208 0.15239161 -0.84444552 0.82177701 -0.19830089 -5.37996592 -0.09537415 1.68469141 1.193E-9 2.6679999999E-9 5.9649999999E-9 1.3339999999E-8 2.982E-8 6.669E-8 1.491E-7 3.335E-7 7.456E-7 0.0000016669999999 0.000003728 0.000008336 0.00001864 0.00004168 0.0000932 120-61-6 8441 144209466 A A Dimethyl terephthalate COC(=O)c1ccc(cc1)C(=O)OC Tox21_202268 -NCGC00259047-01 196708854 tox21-ror-cho-viability-p1 set2 4 62.0019276794 9.1082508879 -0.6082508879 8.5 4.5044702849 0.6107201042 0.0917792107 -1.22900057 0.13571427 1.04102485 -5.50687574 -0.33617975 0.53331161 1.11091186 -0.0280294 0.52193391 -1.69582108 -2.08376495 -0.41815171 -1.57898136 0.61088035 7.1968234 1.194E-9 2.67E-9 5.9699999999E-9 1.335E-8 2.985E-8 6.675E-8 1.4919999999E-7 3.337E-7 7.4619999999E-7 0.000001669 0.0000037309999999 0.000008343 0.00001866 0.00004172 0.00009328 91-66-7 7061 144208694 A Bc N,N-Diethylaniline CCN(CC)c1ccccc1 Tox21_201496 -NCGC00260423-01 196724170 tox21-ror-cho-viability-p1 set3 4 -1.05890358 -9.64418019 6.14789061 -3.00031002 -3.62713751 -0.60551668 -2.24109576 0.66146618 -2.86592598 -3.3908644 0.47207515 1.35918717 0.44377476 -7.30288497 -6.38524787 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.0000082699999999 0.000018489999999 0.00004135 0.000092459999999 92-43-3 7090 144210075 A B 3-Pyrazolidinone,1-phenyl- O=C1CCN(N1)c2ccccc2 Tox21_202877 -NCGC00016498-08 196697994 tox21-ror-cho-viability-p1 set1 -2.2 26.6032120037 -58.6321986597 -0.3912457959 -59.0234444556 3.1924983358 0.9513581375 0.0000072344 -0.56959099 1.44801757 -1.20605832 -5.04831202 0.0503768 -2.50016291 0.36651158 -3.08522527 8.51590913 -0.87432281 -2.67383201 -1.89613253 -0.89411052 -18.21792518 -50.39654883 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 536-43-6 68304 170464776 A Dyclonine hydrochloride Cl.CCCCOc1ccc(cc1)C(=O)CCN2CCCCC2 Tox21_110459_1 -NCGC00015675-08 196724155 tox21-ror-cho-viability-p1 set3 4 -4.24309725 -2.90679301 0.15987882 -0.37890335 2.20799456 -2.25938998 4.18219471 2.83049506 2.72551242 2.46799531 2.25894283 -0.95918533 -0.24320702 3.29296642 -0.65913011 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00357202-01 196724163 tox21-ror-cho-viability-p1 set3 4 0.0054482673 8.961508768 -6.461508768 2.5 2.1876167061 0.3078358114 0.360677469 -6.63459064 -4.10909039 -1.77834496 0.21682834 5.39212505 3.86693898 9.92728561 -2.45122771 6.60124312 7.82016167 2.720956 -0.96790523 -2.69627473 -6.54197901 5.62378816 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-82-5 7722 251919842 B 4-Methylbenzyl chloride Cc1ccc(CCl)cc1 Tox21_303978 -NCGC00095312-04 196698006 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -8.887803312 1 -7.887803312 2.09374246 0.5192677648 0.1666527837 -0.29883608 1.80911475 5.56585471 -0.87380099 1.75087602 1.6947295 0.74606193 1.52671394 -0.59383439 0.18331554 1.67344973 2.16458545 -0.62919581 -0.80069546 -4.90650276 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 169590-41-4 3058754 170465679 A Deracoxib NS(=O)(=O)c1ccc(cc1)n3nc(cc3c2ccc(OC)c(F)c2)C(F)F Tox21_111503_1 -NCGC00014925-06 196698009 tox21-ror-cho-viability-p1 set1 -1.2 2.1131682429 -60.4087742803 2.5771416684 -57.8316326119 2.2526478767 0.9830855297 1.8E-8 0.40960042 2.64941329 10.68080612 -0.17905239 4.01459408 0.19006477 1.99203116 3.11874992 2.38915919 -9.95168867 -19.42618184 -50.5175569 -56.32154691 -54.725299 -57.77636051 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 119413-54-6 60699 170465137 A Topotecan hydrochloride Cl.CN(C)Cc1c2cc3CN4C(=O)C=5COC(=O)[C@](O)(CC)C=5C=C4c3nc2ccc1O Tox21_111478_1 -NCGC00253737-01 196698010 tox21-ror-cho-viability-p1 set1 4 -6.88893525 0.59503624 -8.59014982 -4.78137961 -0.36790164 -0.25852414 -5.45974759 -4.0306651 -5.57300815 -4.3661256 -0.39165149 -5.23241216 -3.36654391 -5.87239635 -11.01744045 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 155270-99-8 5311037 170466116 I F Istradefylline COc1ccc(cc1OC)/C=C/c3nc2c(C(=O)N(CC)C(=O)N2CC)n3C Tox21_113855 -NCGC00166106-03 196698411 tox21-ror-cho-viability-p1 set1 4 0.38044559 4.75794672 3.52863353 2.87474298 1.359385 -0.14783194 0.46104756 1.06355309 3.07606708 -2.29654177 5.06023137 3.28242375 1.79337867 0.18492935 2.04436716 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2398-81-4 16976 170466130 A Nicotinic acid 1-oxide [O-][n+]1cccc(c1)C(O)=O Tox21_112319_1 -NCGC00066947-05 196698415 tox21-ror-cho-viability-p1 set1 4 3.98578203 1.72897615 -0.15026804 -0.27564831 2.55674181 0.21048853 0.9733647 2.60029674 -0.13566341 1.6159834 3.93533935 6.47208091 0.67824623 1.14442233 -0.42995216 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00015278-15 196698418 tox21-ror-cho-viability-p1 set1 4 -1.61280197 1.63573761 0.57218409 -9.55690953 -10.17998576 -14.2840895 -13.11500933 -2.72549821 -1.20195027 -1.4066066 -0.59493138 1.43745462 -11.16605944 1.73867062 1.53372406 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 78-44-4 2576 170465436 A Carisoprodol O=C(NC(C)C)OCC(C)(COC(=O)N)CCC Tox21_110122_1 -NCGC00015772-12 196698424 tox21-ror-cho-viability-p1 set1 4 0.18885171 9.69773857 -0.96668541 0.35042114 3.51612217 1.41539912 2.14926151 1.47212639 0.48850527 1.3907417 0.15513226 2.88858971 3.31441904 -0.34772596 -0.71412852 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82419-36-1 4583 170465035 A Ofloxacin CN1CCN(CC1)c4c(F)cc2c3N(C=C(C2=O)C(=O)O)C(C)COc34 Tox21_110703_1 -NCGC00022697-03 196698429 tox21-ror-cho-viability-p1 set1 4 5.0527449 2.26842097 -0.94694149 3.30972276 7.09070867 2.7927945 0.61511661 -0.00070226 4.07949795 -1.09322575 2.0713788 2.68247196 0.95483005 3.60573711 1.08028234 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 155-41-9 5459110 170464623 A Scopolamine methylbromide [Br-].OC[C@H](c1ccccc1)C(=O)O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N+]3(C)C Tox21_110037_1 -NCGC00160563-02 196698432 tox21-ror-cho-viability-p1 set1 4 -0.92527581 -2.21157607 -0.21685343 0.60392438 -1.75735801 2.01525868 -3.9273218 -1.07011776 -4.3315652 -2.02132056 -1.55478298 -0.74098707 0.36351987 -4.23651951 -3.88292437 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 541-79-7 10944 170466293 F Carbocloral OC(NC(=O)OCC)C(Cl)(Cl)Cl Tox21_111902_1 -NCGC00090776-02 196718632 tox21-ror-cho-viability-p1 set2 4 0.42729576 2.05811759 -0.37612062 2.97913507 2.62635125 2.97982836 -0.99700357 1.6664156 5.27364536 2.17734203 0.2697191 0.70985382 1.6325594 -0.82316693 0.49819649 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009079 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00257469-01 196718203 tox21-ror-cho-viability-p1 set2 4 0.16374776 0.79417428 3.09478326 0.37736159 0.71884435 3.25415144 2.68178428 5.30196897 2.65227932 3.37447151 5.45871071 -2.00009287 0.2874804 0.0951615 0.40227764 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.000091989999999 111-55-7 8121 144213739 F A 1,2-Ethanediol diacetate CC(=O)OCCOC(=O)C Tox21_303428 -NCGC00257238-01 196718209 tox21-ror-cho-viability-p1 set2 4 30.2819970842 -22.189175584 0.5 -21.689175584 0.5 0.5762099339 0.1150506942 -0.47349666 1.39375427 -0.59933926 -0.08208503 2.2112128 -1.21490898 0.93836922 0.0139016 -0.40820582 -0.75792548 -5.90463628 -11.16783217 -4.54741704 -0.95908012 -16.40764632 4.4769999999E-10 1.001E-9 2.238E-9 5.005E-9 1.119E-8 2.503E-8 5.596E-8 1.2509999999E-7 2.798E-7 6.256E-7 0.0000013989999999 0.000003128 0.000006995 0.00001564 0.00003497 NOCAS_48522 60196348 144213691 A A HMR1171 trifluoroacetate (1:1) FC(F)(F)C(=O)O.CCN(CC)C(=O)c1cc(c(cc1N(CC)CCN(C)C)N2CCC(CC2)c3ccccc3)S(=O)(=O)Cc4ccccc4 Tox21_303378 -NCGC00257160-01 196718222 tox21-ror-cho-viability-p1 set2 -1.1 0.216899429 -89.9912099404 1.5321852649 -88.4590246755 4.0949729863 0.9792893941 5.81E-8 2.41195605 -0.33087765 -1.35698231 1.43886905 -1.05397153 6.41080914 -13.1308278 -72.77014808 -87.42981666 -89.03291422 -90.7783238 -68.12053635 -95.73487519 -95.32015943 -91.98949201 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 683-18-1 12688 144213429 F A Dibutyltin dichloride CCCC[Sn](Cl)(Cl)CCCC Tox21_303112 -NCGC00090986-03 196719048 tox21-ror-cho-viability-p1 set2 -3 61.5037543138 -43.0999308454 1.9132096785 -41.1867211669 3.6272481694 0.929824473 0.0000521919 0.04020857 1.74822785 -0.61291934 2.207746 0.40571552 8.39152266 -0.62283895 2.50986174 5.01980459 4.71669835 2.5610338 0.13777696 -1.33137731 -5.90104336 -33.34428377 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.000041429999999 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00257227-01 196719473 tox21-ror-cho-viability-p1 set2 4 -1.166951 0.63958659 -2.3418834 0.09267559 -0.85075058 2.20284567 2.83916658 -0.00788577 0.72459554 4.82662979 3.52673636 2.75084995 0.82688093 0.72174999 3.78504361 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2426-08-6 17049 144213528 Fns Butyl glycidyl ether CCCCOCC1CO1 Tox21_303211 -NCGC00257025-01 196719476 tox21-ror-cho-viability-p1 set2 4 -1.0968489 -4.07844519 -1.72661255 0.1912966 -4.41254714 -4.92010951 -0.90791554 -0.06338114 -0.00467633 -0.17203323 -0.50364381 -5.99888552 -2.77260806 -0.99494144 -1.56355205 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-98-5 8087 144213411 A A 1,1'-Oxybis-2-propanol CC(O)COCC(C)O Tox21_303094 -NCGC00256563-01 196719485 tox21-ror-cho-viability-p1 set2 4 27.3060203028 -16.0216152039 3 -13.0216152039 1.287561 0.7958066538 0.0087529852 3.02476547 0.25055274 1.10617543 -0.02107733 5.15557187 5.04306081 2.67153011 5.50511676 2.17686975 6.16963942 -0.43684958 -0.0304853 -3.073465 -4.54873241 -12.51801267 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-15-3 7005 144213085 A A 1-Naphthol Oc2cccc1ccccc12 Tox21_302768 -NCGC00254479-01 196719495 tox21-ror-cho-viability-p1 set3 4 -1.50845568 14.87908114 6.79076138 -7.76622712 13.08798964 10.53384932 -7.6200872 16.93127252 -8.52932433 16.83276983 -6.35281711 12.7301041 -6.37533491 -2.14369377 15.40617965 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 253450-09-8 156328 144210754 A A Besonprodil Fc1ccc(cc1)CC2CCN(CC2)CCS(=O)c3ccc4NC(=O)Oc4c3 Tox21_300436 -NCGC00254377-01 196719897 tox21-ror-cho-viability-p1 set3 4 0.019331182 6.2853067999 -3.2853067999 3 4.9549173134 0.3833436194 0.2888649235 0.19734877 -6.60853205 -0.5851677 -7.321089 10.88901896 2.76595885 4.94636956 4.00373871 -0.57709905 2.45660482 -0.136345 0.24902341 7.04421611 2.37917265 0.71270279 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 133-90-4 8630 144210905 A A Chloramben Clc1cc(C(=O)O)c(Cl)c(N)c1 Tox21_300588 -NCGC00254864-01 196719899 tox21-ror-cho-viability-p1 set3 4 0.0457378871 -18.99076853 -19.54079717 -8.96596014 -6.70199525 -12.2530515 -12.04655842 -8.70047758 -3.15851584 -3.0983095 -9.5496625 -6.12527854 -0.41712237 -7.05311451 0.62681907 2.83438649 1.0029999999E-10 2.2419999999E-10 5.014E-10 1.121E-9 2.507E-9 5.606E-9 1.2529999999E-8 2.8029999999E-8 6.267E-8 1.401E-7 3.134E-7 7.0069999999E-7 0.0000015669999999 0.000003504 0.000007834 107-31-3 7865 144211279 FNS Methyl formate O=COC Tox21_300962 -NCGC00016047-11 196717810 tox21-ror-cho-viability-p1 set2 4 1.08938322 3.01467216 0.27601837 2.73804797 5.15630929 4.21065679 2.42787655 5.10988184 0.03823099 0.44499284 4.23463307 2.08560484 0.37188474 1.70934649 2.2799805 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25371-96-4 1359 170466868 A 1-[2-(Trifluoromethyl)phenyl]-1H-imidazole FC(F)(F)c1ccccc1n2ccnc2 Tox21_110289_1 -NCGC00263529-01 196717408 tox21-ror-cho-viability-p1 set2 -3 33.4914596268 -72.4581511121 0.6360011519 -71.8221499602 4.9549173134 0.9761737381 1.303E-7 1.18041082 1.06251365 0.71942929 2.20181762 2.59473538 3.54440597 1.05082792 5.63810255 -3.58844665 0.52770684 -0.22544715 -3.81566041 0.49093215 -4.47191544 -63.00188593 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103890-78-4 5311217 170465580 A Lacidipine CC=1NC(C)=C(C(C=1C(=O)OCC)c2ccccc2/C=C/C(=O)OC(C)(C)C)C(=O)OCC Tox21_112174_1 -NCGC00255613-01 196728140 tox21-ror-cho-viability-p1 set3 -2.1 24.3365162115 -93.4403000294 3.496789691 -89.9435103384 1.4780888099 0.9829335266 1.89E-8 2.46622834 8.50730776 8.11065633 4.21408724 -1.13701379 0.65690133 -1.57658379 9.85060062 2.82824787 -1.31985173 -3.52784613 -12.60264519 -31.78196862 -58.97269746 -80.21360556 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4638-48-6 14869 144211954 A A 5-Chlorosalicylanilide Oc2ccc(Cl)cc2C(=O)Nc1ccccc1 Tox21_301637 -NCGC00257310-01 196727741 tox21-ror-cho-viability-p1 set3 -2.1 61.130564862 -97.5860780572 -1.647984676 -99.2340627332 2.8472712143 0.9909945042 4E-10 0.13143992 -0.574872 -1.01280538 -1.04850701 -0.20837735 -0.79456669 -4.21361054 -6.757603 -2.33139304 -1.75870211 -0.83158345 0.54495075 -5.82684248 -25.89607015 -75.93489601 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-38-5 5358159 144213683 D 2-(8-Heptadecenyl)-2-imidazoline-1-ethanol OCCN1CCN=C1CCCCCCC/C=C\CCCCCCCC Tox21_303368 -NCGC00255404-01 196728151 tox21-ror-cho-viability-p1 set3 4 2.8808903921 -5.105737732 0.5 -4.605737732 4.9549173134 0.3947963299 0.2962225398 0 -4.92468172 0.56331688 -3.84924339 0.37769878 2.65496893 5.8286344 -1.10328342 2.01095297 0.76452947 -3.17160965 -4.96316285 -3.01093903 -5.92144811 0.02136995 1.121E-9 2.507E-9 5.6069999999E-9 1.254E-8 2.8029999999E-8 6.268E-8 1.402E-7 3.134E-7 7.0079999999E-7 0.0000015669999999 0.000003504 0.000007836 0.000017519999999 0.00003918 0.000087599999999 654055-01-3 18542136 144211533 A A Morin hydrate O.O.Oc3ccc(C=2Oc1cc(O)cc(O)c1C(=O)C=2O)c(O)c3 Tox21_301216 -NCGC00256124-01 196728153 tox21-ror-cho-viability-p1 set3 4 4.03854071 5.28878275 -3.45139104 -3.27593297 2.82387967 2.45838135 2.39541573 3.13831635 4.12280715 1.52178143 2.68665761 -7.23848408 1.50572049 1.62400447 1.10819847 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 831-59-4 71577 144211823 A Disodium benzene-1,3-disulfonate [Na+].[Na+].O=S([O-])(=O)c1cccc(c1)S([O-])(=O)=O Tox21_301506 -NCGC00090986-03 196728157 tox21-ror-cho-viability-p1 set3 -2.4 69.008347349 -35.251819188 2 -33.251819188 3.6772481694 0.9330033636 0.0000409778 0 2.53945793 0.64078274 1.72455854 3.16683223 0.57591397 4.96318121 1.19688955 3.31071307 4.93379056 4.27946038 1.96818932 -1.88236304 -2.68533494 -24.37651599 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00256231-01 196728549 tox21-ror-cho-viability-p1 set3 4 0.1219715124 11.7361871279 -2.2361871279 9.5 3.9294729863 0.5601654118 0.142606082 2.7107484 -6.46691783 -0.75680357 -9.78015594 8.42043531 -7.77596239 8.70737969 12.37929413 11.61040725 8.19078187 12.61022841 6.44469315 8.86640048 3.92970819 4.89023422 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6961-82-6 81410 144211941 A A 2-Chlorobenzenesulfonamide O=S(N)(=O)c1ccccc1Cl Tox21_301624 -NCGC00159417-06 196728563 tox21-ror-cho-viability-p1 set3 -3 62.5631710251 -101.881313183 7.5 -94.381313183 4.4494702849 0.901233613 0.0003021413 -1.64441153 -2.45430785 -3.70686396 -0.01574324 1.84070282 9.18465976 7.68468991 14.69523147 15.07552564 12.92483412 17.98846662 19.12937529 5.79414767 -7.61411065 -79.97567358 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00255106-01 196728564 tox21-ror-cho-viability-p1 set3 4 0 -5.37473139 -6.08100667 1.03698062 4.27010896 -7.24845665 7.62617792 5.61561625 -6.20125744 -7.60574452 5.83456247 -6.36873525 -9.00448937 -6.43738982 -10.35108925 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1772-03-8 2723866 144212319 Z F Galactosamine hydrochloride Cl.O[C@H]1[C@@H](O)[C@@H](CO)OC(O)[C@@H]1N Tox21_302002 -NCGC00256878-01 196726981 tox21-ror-cho-viability-p1 set3 4 0.22191555 3.07228605 1.83134646 2.47964684 2.46750602 2.29583807 1.39526961 -0.76915981 3.8331774 2.53959394 0.28957149 1.92112701 3.07869985 2.52467011 2.58531617 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 144-39-8 61098 144212907 A Ac 3,7-Dimethylocta-1,6-dien-3-yl propanoate O=C(CC)OC(C)(CC\C=C(\C)C)C=C Tox21_302590 -NCGC00256667-01 196726972 tox21-ror-cho-viability-p1 set3 4 -6.44092743 3.22526641 -13.19599958 -4.40401515 -5.30353828 0 0 -0.03776865 -3.68099557 -0.80791 0 -8.14321299 -9.07745931 0.58312353 -4.63703532 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-83-2 7460 144212867 Fns alpha-Phellandrene CC=1C=CC(CC=1)C(C)C Tox21_302550 -NCGC00090780-04 196726973 tox21-ror-cho-viability-p1 set3 4 27.3060203028 -16.480567364 1.5 -14.980567364 0.4999999999 0.8323226652 0.0037794525 4.17659117 4.05068909 -0.76823231 1.60798441 -0.71380555 0 -2.31779292 -0.21148524 -0.1319192 -0.1480449 -3.22569435 -2.98473689 -6.68177222 -6.93311584 -10.81713947 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00257154-01 196726974 tox21-ror-cho-viability-p1 set3 4 3.4376242854 5.122651288 -3.122651288 2 4.9549173134 0.4411979832 0.2345497225 1.37445736 -1.55150437 -6.20949814 -0.82525648 -1.26835683 -6.20130905 -9.68554274 -0.52755119 -4.21372701 -4.05745971 0.02847937 2.15812777 2.33697892 0.50332003 2.91579876 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 919-31-3 13522 144213637 F Ac 3-(Triethoxysilyl)propionitrile CCO[Si](OCC)(OCC)CCC#N Tox21_303320 -NCGC00255928-01 196700412 tox21-ror-cho-viability-p1 set1 4 2.43931757 1.26575496 2.98714403 1.84076225 0.43808224 1.56624945 1.91296718 4.24712473 2.42959939 4.61791978 -1.43807583 3.82293057 0.17296693 4.15092256 1.42553913 1.0499999999E-9 2.3479999999E-9 5.25E-9 1.174E-8 2.6249999999E-8 5.869E-8 1.312E-7 2.935E-7 6.562E-7 0.000001467 0.000003281 0.0000073369999999 0.00001641 0.00003668 0.00008203 36443-68-2 91620 144212725 A Triethylene glycol bis(3-tert-butyl-4-hydroxy-5-methylphenyl)propionate CC(C)(C)c1cc(cc(C)c1O)CCC(=O)OCCOCCOCCOC(=O)CCc2cc(C)c(O)c(c2)C(C)(C)C Tox21_302408 -NCGC00254791-01 196700003 tox21-ror-cho-viability-p1 set1 -2.4 73.9582482573 -35.9068348359 -3.731821728 -39.6386565639 2.3331733767 0.9151653013 0.0001405774 -5.51921645 -4.44718563 -0.60985144 -6.4178075 -6.52698179 -3.51707805 -1.30688309 -7.47747033 -4.56850005 -3.21078099 -0.85015434 -2.16549701 -5.7653403 -13.39214665 -29.69888047 1.3829999999E-9 3.092E-9 6.913E-9 1.5459999999E-8 3.457E-8 7.729E-8 1.728E-7 3.8649999999E-7 8.6409999999E-7 0.000001932 0.000004321 0.000009661 0.0000216 0.00004831 0.000108 83657-24-3 6436605 144211204 A A Diniconazole OC(\C(=C/c1ccc(Cl)cc1Cl)n2cncn2)C(C)(C)C Tox21_300887 -NCGC00254116-01 196700005 tox21-ror-cho-viability-p1 set1 4 3.20315693 2.92254744 4.30107454 0.11671158 7.06354841 1.92640937 1.68698545 -0.18825055 0.23701038 2.58869567 0.05830149 0.84576467 2.33173635 8.9076641 0.65777818 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 139-13-9 8758 144210476 A A Nitrilotriacetic acid OC(=O)CN(CC(=O)O)CC(=O)O Tox21_300156 -NCGC00254758-01 196700014 tox21-ror-cho-viability-p1 set1 -2.1 43.2771256911 -99.8298310073 1.1709287889 -98.6589022184 2.4063783767 0.9913465053 4E-10 3.14632588 -0.09183825 -1.35942225 -1.46509567 0.12153309 -0.62641683 -0.89960506 3.96686406 3.75595457 0.21522229 0.30720741 -0.90136616 -5.10510234 -47.46140838 -84.32384805 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59669-26-0 9601227 144211172 A A Thiodicarb CN(SN(C)C(=O)O\N=C(/C)SC)C(=O)O\N=C(/C)SC Tox21_300855 -NCGC00163771-03 196700420 tox21-ror-cho-viability-p1 set1 4 30.6378586933 15.1229633319 -6.1229633319 9 0.8999999999 0.7347106723 0.024662485 -11.76913611 -6.71662413 -6.60542249 -5.43284676 -6.82745136 -3.73442917 -4.93379498 -3.95523334 -3.38496064 -3.04658333 -6.14315948 -3.73439378 0.41743607 0.51816942 6.7490421 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00255107-01 196700425 tox21-ror-cho-viability-p1 set1 4 61.130564862 15.715644244 -1.215644244 14.5 4.0949729863 0.8624525109 0.0015414659 -0.68650655 0.08561696 -2.9905036 -2.35815779 -2.13571532 -0.18394291 -3.51303687 -0.78584485 -2.24645597 -1.02336321 0.68964461 1.05921526 0.497194 1.08913872 12.20686697 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2455-24-5 17151 144212032 A Fc Tetrahydrofurfuryl methacrylate O=C(OCC1CCCO1)C(=C)C Tox21_301715 -NCGC00255200-01 196700429 tox21-ror-cho-viability-p1 set1 4 0.47069862 0.58853862 -3.73012817 -2.56961453 0.49646634 1.14479227 1.18627412 0.9650404 -3.42065782 -2.69110682 0.07131021 -2.63308918 -1.27831634 -2.76506879 -3.86676135 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-65-6 6488 144212564 A A Carbromal CCC(Br)(CC)C(=O)NC(N)=O Tox21_302247 -NCGC00255821-01 196700832 tox21-ror-cho-viability-p1 set1 4 -0.76003832 0.21881813 6.92868122 0.78276076 0.43359423 0.18734225 -3.63354798 5.58958101 -0.36927759 -0.35728927 4.56990987 3.6919379 0.60332858 0.79429722 8.19958074 1.183E-9 2.6459999999E-9 5.916E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3069999999E-7 7.395E-7 0.0000016539999999 0.0000036979999999 0.000008268 0.000018489999999 0.00004134 0.000092439999999 131-08-8 23661981 144211792 A Ac Sodium 9,10-dioxo-9,10-dihydroanthracene-2-sulfonate [Na+].[O-]S(=O)(=O)c2ccc3C(=O)c1ccccc1C(=O)c3c2 Tox21_301475 -NCGC00255783-01 196701245 tox21-ror-cho-viability-p1 set1 4 0.27980816 -1.50148322 -0.63585068 -2.87962635 -4.03213265 -9.73564619 -5.15265291 -12.22958142 -6.26398561 -7.82087417 -1.63111657 -1.7470715 -0.44785583 -2.54938591 -12.22070828 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.00009175 35948-25-5 6328250 144211820 D F 6H-Dibenzo[c,e][1,2]oxaphosphinine 6-oxide O=P2Oc3ccccc3c1ccccc12 Tox21_301503 -NCGC00095099-05 196698379 tox21-ror-cho-viability-p1 set1 4 -2.58519738 -2.35336532 -7.07927136 -8.98409235 -0.07833755 -2.38521786 -1.90230911 -2.02520939 -0.49965737 -1.80540685 0.75806279 -1.86798617 -0.40977795 -1.47696796 -0.3649119 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 171599-83-0 62853 170465285 A Sildenafil citrate CN1CCN(CC1)S(=O)(=O)c4cc(C3=Nc2c(CCC)nn(C)c2C(=O)N3)c(OCC)cc4.O=C(O)C(O)(CC(=O)O)CC(=O)O Tox21_111717_1 -NCGC00167832-06 196698369 tox21-ror-cho-viability-p1 set1 -3 29.8492948118 -51.198955758 3.5 -47.698955758 2.7867712143 0.9250445054 0.0000737041 0.50347722 9.87857941 3.57526192 5.7993362 5.47309608 5.36689897 4.72806145 3.75935584 4.09596701 1.15204865 2.38965871 -1.82132604 -2.9928631 -7.65168332 -36.31622909 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_45916 16667700 170465440 A Carvedilol tartrate O=C(O)C(O)C(O)C(=O)O.COc4ccccc4OCCNCC(O)COc2cccc3nc1ccccc1c23 Tox21_111431_1 -NCGC00021145-11 196698373 tox21-ror-cho-viability-p1 set1 4 1.25521902 0.60286704 -0.94178337 0.58529285 0.08069421 -1.41923545 -0.05405366 3.01891847 2.13390134 1.86884412 0.04049053 -1.30151488 1.54245258 0.74815083 1.3483907 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27833-64-3 71399 170465094 A Loxapine succinate O=C(O)CCC(=O)O.CN1CCN(CC1)C3=Nc4ccccc4Oc2ccc(Cl)cc23 Tox21_110311_1 -NCGC00259778-01 196722260 tox21-ror-cho-viability-p1 set3 -1.3 1.5480312689 -33.7661854549 -6.451536809 -40.2177222639 1.4641 0.5743467466 0.1306180694 -13.36107388 -8.49579697 -5.24060672 -0.79966449 -0.9104035 -12.20624812 -10.69822338 -5.29754148 -18.51312213 -16.01488189 -34.51533867 -51.546018 -60.7190587 -8.76461498 4.50776659 1.188E-9 2.657E-9 5.941E-9 1.3279999999E-8 2.971E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016609999999 0.000003713 0.000008303 0.00001857 0.000041509999999 0.000092829999999 10108-64-2 24633 144209427 Cadmium chloride [Cd+2].[Cl-].[Cl-] Tox21_202229 -NCGC00090789-02 196721869 tox21-ror-cho-viability-p1 set3 4 -6.22762048 -6.06343099 -3.20380151 -6.93637543 -7.05841171 -7.1544781 -1.43331239 -1.57111552 -5.80869415 2.70801725 -1.86828667 -7.22797101 -4.14069188 -1.9341305 -6.08575243 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00258922-01 196722255 tox21-ror-cho-viability-p1 set3 4 38.3355515749 8.845430984 -1.845430984 7 2.7202212143 0.3676933573 0.3046162272 -4.06859884 -2.90958344 -9.45452582 6.13829971 -1.42364199 -1.2961873 -2.28427109 -3.01487565 -3.59550114 1.11784849 -1.64836712 -2.25538335 -0.83840829 2.73421888 6.41968413 1.1739999999E-9 2.626E-9 5.871E-9 1.3129999999E-8 2.9349999999E-8 6.564E-8 1.468E-7 3.282E-7 7.339E-7 0.000001641 0.000003669 0.000008205 0.00001835 0.00004102 0.00009173 99-97-8 7471 144208568 A B N,N,4-Trimethylaniline Cc1ccc(cc1)N(C)C Tox21_201370 -NCGC00258857-01 196722259 tox21-ror-cho-viability-p1 set3 -2.1 34.3412869306 -84.310709294 -7.958558194 -92.269267488 0.8999999999 0.7928271934 0.0091816155 -14.37858434 -8.75983614 -4.75586313 -2.0631387 -6.01725702 -9.69360587 -12.07833482 -10.29730448 -16.28072283 -6.77983892 -10.17978614 -28.18609275 -58.91159508 -29.54816769 -76.89105624 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.00001842 0.0000412 0.00009212 87-56-9 2771871 144208503 A F (2Z)-2,3-Dichloro-4-oxobut-2-enoic acid O=CC(\Cl)=C(\Cl)C(=O)O Tox21_201305 -NCGC00259596-01 196722274 tox21-ror-cho-viability-p1 set3 4 -4.02726257 -2.83001846 -1.86430926 6.91846387 -4.75017613 -3.18314859 -5.56700676 -5.92474348 -7.28113934 1.1218305 -2.57635907 -4.81405869 -5.58834932 2.83157829 -2.41074976 1.211E-9 2.709E-9 6.056E-9 1.3539999999E-8 3.028E-8 6.771E-8 1.514E-7 3.386E-7 7.5709999999E-7 0.000001693 0.0000037849999999 0.000008464 0.00001893 0.00004232 0.00009463 108-32-7 7924 144209245 A Ac Propylene carbonate O=C1OCC(C)O1 Tox21_202047 -NCGC00091468-02 196722670 tox21-ror-cho-viability-p1 set3 4 0.4402638028 6.754383628 -1.754383628 5 4.9549173134 0.5166271464 0.1644429632 -4.66990983 1.42875692 2.7146904 -4.34998237 -4.79531969 2.79887243 -4.00974555 -1.13713884 8.98254249 10.21851972 2.79423804 5.64500602 3.57250949 1.3161379 3.55510633 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00094576-05 196722676 tox21-ror-cho-viability-p1 set3 4 -3.10833071 5.11741159 0.10641936 -0.21700246 5.60925141 9.41131439 -1.13627018 0.46646864 -2.97062643 6.34295116 -6.90980962 -7.35238929 -10.21444962 3.92428059 8.90468007 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 546-88-3 1990 170465439 Z Acetohydroxamic acid CC(=O)NO Tox21_111301_1 -NCGC00160472-02 196722689 tox21-ror-cho-viability-p1 set3 4 3.7578035763 -6.33624006 0 -6.33624006 4.9549173134 0.4462229868 0.246714585 1.58405955 2.04528844 -4.03562813 -0.5575882 -3.37008733 0.20808342 -2.54400929 -0.84166453 4.85448431 5.0138508 -0.57217753 -4.01252699 -9.03020005 -3.90838283 5.65062348 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 99-45-6 7436 170466247 Z Adrenone Oc1ccc(cc1O)C(=O)CNC Tox21_113112_1 -NCGC00167436-02 196723087 tox21-ror-cho-viability-p1 set3 -2.1 29.8492948118 -83.521523179 -1.471586221 -84.9931094 4.0949729863 0.9737795485 2.254E-7 1.09370157 -0.2669211 -0.23914452 -0.06977307 -1.77283195 -0.3976091 1.80493771 0.85992 -5.43578765 -0.00355481 -0.58287501 -4.46213345 -10.73010086 -17.02389641 -72.9109245 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123524-52-7 65948 170465756 A Azelnidipine [O-][N+](=O)c1cccc(c1)C2C(C(=O)OC(C)C)=C(C)NC(N)=C2C(=O)OC3CN(C3)C(c4ccccc4)c5ccccc5 Tox21_112440_1 -NCGC00259406-01 196722289 tox21-ror-cho-viability-p1 set3 4 9.71347843 13.50743924 5.81246827 8.76724692 9.12606842 11.09116611 7.3754117 9.31874422 10.62467029 4.16398086 5.12866866 8.76871046 7.97308585 10.0852063 6.9629309 1.1859999999E-9 2.651E-9 5.928E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009262 117-82-8 8344 144209055 A A Di(2-methoxyethyl) phthalate O=C(OCCOC)c1ccccc1C(=O)OCCOC Tox21_201857 -NCGC00164077-02 196721897 tox21-ror-cho-viability-p1 set3 4 -6.19148812 -5.19006358 -1.37402832 0.28559002 -6.84443505 -5.96320926 -6.3261116 -7.32135526 -7.92725867 -3.37384344 -5.78835694 -4.44183137 -5.29336844 -3.69692357 -7.04528573 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00259867-01 196722283 tox21-ror-cho-viability-p1 set3 4 -5.56211991 -2.77778775 0.54773801 6.99982691 -3.17815078 -5.33606 -6.97139365 -6.37415242 -7.39987262 -2.12845311 -5.94692711 -5.77312216 -1.63355999 -3.89564214 -2.82560767 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.6509999999E-8 1.487E-7 3.325E-7 7.436E-7 0.000001663 0.000003718 0.000008313 0.00001859 0.00004157 0.000092939999999 99-76-3 7456 144209516 A A Methylparaben Oc1ccc(cc1)C(=O)OC Tox21_202318 -NCGC00259900-01 196722284 tox21-ror-cho-viability-p1 set3 4 -4.27308915 -0.27370122 1.37769009 -3.22896227 -3.36308438 -8.43827175 -5.61783132 -7.2144585 -6.48490467 -1.896613 -5.37370421 -5.0455245 -2.87524055 2.33245777 -10.23523252 1.19E-9 2.6619999999E-9 5.9519999999E-9 1.331E-8 2.976E-8 6.655E-8 1.4879999999E-7 3.3269999999E-7 7.44E-7 0.0000016639999999 0.00000372 0.000008319 0.0000186 0.00004159 0.000093 80-46-6 6643 144209549 A A 4-(2-Methylbutan-2-yl)phenol Oc1ccc(cc1)C(C)(C)CC Tox21_202351 -NCGC00258124-01 196730347 tox21-ror-cho-viability-p1 set3 4 0.7384326 2.05724661 2.76203271 0.09874598 1.59193781 0.17629932 2.19692563 0.40937303 -1.51474601 2.13931559 -0.88434092 -0.97018284 1.09876302 2.33087337 1.82797646 1.1859999999E-9 2.6519999999E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001853 0.000041439999999 0.000092669999999 7149-26-0 23535 144207768 A B Linalyl anthranilate Nc1ccccc1C(=O)OC(C)(C=C)CC\C=C(/C)C Tox21_200570 -NCGC00258219-01 196729534 tox21-ror-cho-viability-p1 set3 4 0.7680232165 -8.663243884 -2 -10.663243884 3.9294729863 0.4513680442 0.2402505967 1.07690694 -2.62012115 -5.18258426 -0.01532838 -3.52449449 -2.65917023 -1.57377961 -3.19433597 -4.14007072 -18.88603657 -13.85587391 -14.39929216 -3.63430829 -2.11088734 -4.89825198 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.945E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.000003681 0.00000823 0.000018399999999 0.00004115 0.000092019999999 302-22-7 9324 144207863 A A Chlormadinone acetate CC(=O)[C@@]3(OC(C)=O)CC[C@H]2[C@@H]4C=C(Cl)C1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_200665 -NCGC00258681-01 196729931 tox21-ror-cho-viability-p1 set3 4 2.16896572 0.54475688 3.43775303 3.52349355 0.82138782 6.28712953 2.58777392 -0.17585012 0.0546946 6.56600626 2.38620011 0.45204905 2.71501265 0.14730389 5.59000692 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003708 0.000008291 0.00001854 0.00004145 0.00009269 7493-63-2 24116 144208327 A A Allyl anthranilate Nc1ccccc1C(=O)OCC=C Tox21_201129 -NCGC00258658-01 196729941 tox21-ror-cho-viability-p1 set3 4 27.4727179077 -9.022342272 3 -6.022342272 4.9549173134 0.3487062027 0.3391454243 0.94161013 4.39697087 6.51896455 2.99346206 -3.02374457 6.43137211 5.04946214 5.86243712 5.6993388 3.1413676 -2.69573442 3.36361121 1.79183895 -5.01861856 0.18597854 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.6299999999E-8 1.4829999999E-7 3.315E-7 7.4129999999E-7 0.0000016579999999 0.0000037059999999 0.000008288 0.00001853 0.000041439999999 0.00009266 6138-23-4 181978 144208304 A Trehalose dihydrate O.O.O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O Tox21_201106 -NCGC00258092-01 196730355 tox21-ror-cho-viability-p1 set3 4 1.99053093 -1.87670157 -0.85281492 -10.48612129 1.39536529 -1.96057869 0.10010503 0.24963728 -3.58861654 3.02504236 -2.66724834 3.15786678 0.09346972 -1.30843733 0.1343111 1.1999999999E-9 2.683E-9 6E-9 1.3419999999E-8 3E-8 6.708E-8 1.5E-7 3.3539999999E-7 7.5E-7 0.000001677 0.0000037499999999 0.000008385 0.00001875 0.00004193 0.00009375 112-44-7 8186 144207736 A Ac Undecanal CCCCCCCCCCC=O Tox21_200538 -NCGC00357124-01 196724254 tox21-ror-cho-viability-p1 set3 4 2.51274351 7.12254877 3.61519345 -13.59885396 1.56142936 -12.06346798 1.18848161 -1.23816196 -0.21850492 1.83255916 3.65820723 3.21662428 -1.60841573 2.93962252 2.28075289 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-89-2 60985 251919977 F Citronellyl isobutyrate C\C(C)=C\CCC(C)CCOC(=O)C(C)C Tox21_303859 -NCGC00259668-01 196709490 tox21-ror-cho-viability-p1 set2 4 -3.78030726 -0.48626442 0.0189506 -2.36607076 2.6212841 -2.28748734 -4.32942717 -2.67674592 -2.86412758 1.54945362 -1.06886763 -0.37752305 4.57577933 2.88898233 -0.04846153 1.2169999999E-9 2.7209999999E-9 6.084E-9 1.36E-8 3.042E-8 6.802E-8 1.521E-7 3.401E-7 7.605E-7 0.0000016999999999 0.0000038019999999 0.000008502 0.00001901 0.00004251 0.00009506 106-22-9 8842 144209317 B B Citronellol C\C(C)=C\CCC(C)CCO Tox21_202119 -NCGC00259485-01 196709079 tox21-ror-cho-viability-p1 set2 4 0.0137968432 5.409966268 -4.409966268 1 3.5117481694 0.3529073301 0.3352260618 2.7549931 -8.67497189 -7.45331166 -1.29100884 -0.09685376 2.69041889 1.09773639 3.83069114 1.88191389 1.16985648 2.52515494 -1.82776949 -1.28009565 -1.87084276 -8.79970961 1.188E-9 2.657E-9 5.941E-9 1.3279999999E-8 2.9699999999E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016609999999 0.000003713 0.000008303 0.00001856 0.000041509999999 0.00009282 1143-72-2 70837 144209134 A A 2,3,4-Trihydroxbenzophenone Oc2ccc(C(=O)c1ccccc1)c(O)c2O Tox21_201936 -NCGC00258854-01 196709082 tox21-ror-cho-viability-p1 set2 4 -0.68484329 -1.61725935 0.36787366 -0.67145153 -3.31559868 -1.42859234 -3.73293399 -1.35525042 -0.82973006 -0.01387655 -2.09236346 -2.08332444 -2.05478205 -1.39836794 -0.08780554 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041229999999 0.00009218 1115-20-4 14218 144208500 A A 3-Hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropanoate CC(C)(CO)COC(=O)C(C)(C)CO Tox21_201302 -NCGC00259212-01 196709090 tox21-ror-cho-viability-p1 set2 -2.2 60.8198633448 -52.3447761722 1.239013725 -51.1057624472 2.9522712143 0.9887278067 1.7E-9 1.47465595 1.19414063 1.13143448 2.25495307 0.5158279 3.13580029 1.11223882 0.14638959 -0.71381749 1.76425774 -0.56496281 1.56002136 -2.0981415 -10.51876519 -39.47406246 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.9369999999E-8 6.568E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.000003672 0.00000821 0.000018359999999 0.000041049999999 0.00009179 62-75-9 6124 144208861 AC A N-Nitrosodimethylamine CN(C)N=O Tox21_201663 -NCGC00259290-01 196709492 tox21-ror-cho-viability-p1 set2 4 -0.40795691 0.19152257 4.07877011 6.23577673 -2.51892461 -1.88323216 1.55427659 -1.29556725 1.16435258 -1.11102566 -0.16475506 1.75324022 3.6030524 5.6333007 3.94999591 1.211E-9 2.7079999999E-9 6.056E-9 1.3539999999E-8 3.028E-8 6.771E-8 1.514E-7 3.385E-7 7.57E-7 0.000001693 0.0000037849999999 0.0000084629999999 0.00001892 0.00004232 0.00009462 51-52-5 657298 144208939 A A 6-Propyl-2-thiouracil S=C1NC(CCC)=CC(=O)N1 Tox21_201741 -NCGC00259868-01 196709499 tox21-ror-cho-viability-p1 set2 4 60.7577547203 -22.198165216 1 -21.198165216 4.0949729863 0.9062651287 0.000235436 -1.16621335 3.38945847 2.28474639 2.21247201 2.36738588 -0.57758627 -0.88455213 -0.4978976 -0.139095 2.35732661 2.01839181 0.46654492 -1.37824492 -2.3138891 -17.66513768 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003667 0.000008201 0.00001834 0.000041 0.00009169 3252-43-5 18617 144209517 A Ac Dibromoacetonitrile BrC(Br)C#N Tox21_202319 -NCGC00090827-04 196709504 tox21-ror-cho-viability-p1 set2 4 -1.17985794 -1.14413348 -3.99065999 0.18528252 -0.17984264 0.00792483 -0.64467273 -1.34728178 0.22750188 -2.09538881 -0.25572412 -1.39553941 -0.54816015 -1.31259416 0.11911897 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00255860-01 196709906 tox21-ror-cho-viability-p1 set2 4 0.34934806 -0.29954842 -0.3665823 1.89575954 0.26841031 1.08056783 0.88587847 -0.69619459 1.23959069 -0.11196987 1.82537023 2.06682917 0.71526846 2.1228258 2.21432961 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 491-07-6 70962 144212308 Z F (2R,5R)-5-Methyl-2-(propan-2-yl)cyclohexanone CC(C)[C@H]1CC[C@@H](C)CC1=O Tox21_301991 -NCGC00256918-01 196708274 tox21-ror-cho-viability-p1 set1 4 1.1271822 3.89692484 4.63067905 0.527148 1.3507728 0.85788839 5.46577937 -0.28440821 4.51806818 2.36228071 3.17311223 5.52923464 3.5285748 5.63441182 5.69227295 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 34413-35-9 36822 144212909 A B 5,6,7,8-Tetrahydroquinoxaline c1nc2CCCCc2nc1 Tox21_302592 -NCGC00257402-01 196707866 tox21-ror-cho-viability-p1 set1 4 21.3008386116 -10.795951524 2.5 -8.295951524 4.9549173134 0.7439745764 0.0215630826 7.01721584 1.92345545 -0.14977311 0.97209233 0.98880357 1.30577457 4.21095279 3.69661402 5.87865825 1.43661064 0.47749295 1.63649108 0.2231232 -10.24662627 -6.1956318 1.056E-9 2.3609999999E-9 5.279E-9 1.18E-8 2.6399999999E-8 5.902E-8 1.32E-7 2.9509999999E-7 6.599E-7 0.000001476 0.0000032999999999 0.0000073779999999 0.000016499999999 0.00003689 0.000082489999999 53-16-7 5870 144213953 A A Estrone Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)C(=O)CC[C@@H]12)c4cc3 Tox21_303651 -NCGC00256426-01 196707868 tox21-ror-cho-viability-p1 set1 4 13.6854287769 7.715253868 -9.920661116 -2.205407248 2.7202212143 0.3162899063 0.3530653454 -11.17627047 -4.10036843 -13.71867593 -1.81444673 -14.20303761 -4.56007871 -7.88013235 -10.39482991 -12.23802879 -11.35619485 -15.35055093 -8.4406392 -3.48611814 -4.93220129 -1.00450604 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 13071-79-9 25670 144213311 A Fc Terbufos CC(C)(C)SCSP(=S)(OCC)OCC Tox21_302994 -NCGC00257454-01 196708272 tox21-ror-cho-viability-p1 set1 -2.4 22.8359967697 -36.9381887359 2.5 -34.4381887359 3.2974983358 0.9498186699 0.0000086118 4.36566191 1.95280441 -0.56519616 2.03390691 2.2302273 3.52072185 2.28248767 3.31680444 0.75095243 1.04130229 5.80656036 5.8325435 -0.62432986 -7.23687067 -27.86515728 4.719E-10 1.055E-9 2.359E-9 5.276E-9 1.18E-8 2.638E-8 5.899E-8 1.3189999999E-7 2.949E-7 6.595E-7 0.000001475 0.000003297 0.0000073729999999 0.000016489999999 0.00003687 41372-20-7 107882 144213789 A A Apomorphine hydrochloride hydrate Cl.Cl.O.Oc3ccc4C[C@@H]1c2c(cccc2CCN1C)c4c3O.Oc3ccc2C[C@@H]1c4c(CCN1C)cccc4c2c3O Tox21_303480 -NCGC00163724-03 196708920 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -24.617000152 1.5 -23.117000152 4.9549173134 0.8673179336 0.0012887801 4.69222961 0.91445037 4.59922046 2.74290739 -0.53528719 0.44038944 1.65060762 -0.40492712 3.57714153 2.27939861 0.25508253 -0.36920035 -0.1717792 0.77207082 -15.93083346 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00095042-06 196708503 tox21-ror-cho-viability-p1 set2 4 -2.63175827 0.48928227 0.64860605 0.45504233 -0.21054203 -2.45576384 0.01138268 0.76570793 -0.45961176 -0.2866689 -2.025017 1.11848638 4.15412804 3.95661705 2.14844175 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00259127-01 196708523 tox21-ror-cho-viability-p1 set2 4 -1.81717401 0.67103845 -3.52994931 -1.44085208 -2.42173484 -0.2752048 -1.64390472 -1.51446659 -2.48223531 -4.01517926 -3.73410318 -1.92364082 -3.70220617 -2.07941669 -2.55005994 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.626E-8 1.482E-7 3.3129999999E-7 7.408E-7 0.000001656 0.000003704 0.000008282 0.00001852 0.000041409999999 0.000092599999999 2176-62-7 16584 144208776 Pentachloropyridine Clc1c(Cl)c(Cl)nc(Cl)c1Cl Tox21_201578 -NCGC00258792-01 196708916 tox21-ror-cho-viability-p1 set2 4 -0.01339952 0.70852749 0.43190731 -0.17649585 1.28745198 -1.03474053 -0.34796936 -1.46637072 0.59565994 -4.3534272 2.16094011 -0.52878642 -1.27626762 3.88445219 2.33448894 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.000001671 0.0000037379999999 0.000008357 0.00001869 0.00004179 0.00009344 2550-26-7 17355 144208438 A A Benzylacetone CC(=O)CCc1ccccc1 Tox21_201240 -NCGC00258864-01 196708930 tox21-ror-cho-viability-p1 set2 4 -2.52163592 -9.50601 -9.81979932 -14.46244357 -6.84446808 -6.98991185 -9.30420218 -1.81624018 -1.84874243 -1.4320434 -0.03314148 -1.94429848 -8.5402974 -10.96787649 -1.93928193 1.1989999999E-9 2.6819999999E-9 5.997E-9 1.3409999999E-8 2.999E-8 6.705E-8 1.4989999999E-7 3.353E-7 7.497E-7 0.000001676 0.000003748 0.0000083819999999 0.000018739999999 0.00004191 0.00009371 619-17-0 12076 144208510 A A 4-Nitroanthranilic acid OC(=O)c1ccc(cc1N)[N+]([O-])=O Tox21_201312 -NCGC00259956-01 196708931 tox21-ror-cho-viability-p1 set2 -2.2 30.3887708356 -33.643007856 0 -33.643007856 2.5884283767 0.9651010379 0.0000011442 -0.14166157 0.70763435 3.16777105 -0.12407827 -3.07679614 -0.21403753 0.00224297 1.84635121 -3.78285486 -0.21643355 -0.47886641 -0.23173971 -7.53815011 -21.39825072 -35.04479985 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.551E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.000003662 0.0000081889999999 0.00001831 0.00004095 0.00009156 56-53-1 448537 144209605 A A Diethylstilbestrol Oc1ccc(cc1)C(\CC)=C(/CC)c2ccc(O)cc2 Tox21_202407 -NCGC00259784-01 196709340 tox21-ror-cho-viability-p1 set2 4 21.4915765031 -8.5326200199 1 -7.5326200199 2.6384283767 0.8397963791 0.0031295789 0.77850915 -0.03884593 0.26479975 0.38818954 3.46670122 -0.73656046 2.10618542 -0.26265203 1.54264353 2.51698 3.03929174 0.53222164 -2.40730986 -5.80280835 -7.52718335 1.171E-9 2.6189999999E-9 5.856E-9 1.3089999999E-8 2.9279999999E-8 6.547E-8 1.464E-7 3.274E-7 7.3199999999E-7 0.000001637 0.00000366 0.0000081839999999 0.0000183 0.00004092 0.0000915 126-07-8 441140 144209433 A A Griseofulvin O=C2c3c(O[C@]12C(=CC(=O)C[C@H]1C)OC)c(Cl)c(OC)cc3OC Tox21_202235 -NCGC00159434-04 196704800 tox21-ror-cho-viability-p1 set1 4 0.118832183 6.04468596 -5.04468596 1 4.9549173134 0.7337074646 0.0251533787 -5.51478051 -6.10451016 -4.17225284 -7.5372383 -0.57307836 -6.2487806 -5.70241129 1.03865214 -0.52670185 1.93612927 -0.21366229 -0.08139203 0.91163391 -0.15181906 3.93897757 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 302-40-9 9330 170466568 A Benactyzine OC(C(=O)OCCN(CC)CC)(c1ccccc1)c2ccccc2 Tox21_111665_1 -NCGC00179594-03 196704794 tox21-ror-cho-viability-p1 set1 4 0.62102773 0.78279434 -5.09514477 1.53100192 -1.47807805 -1.62632229 -0.06378305 1.24052617 -6.32741993 -5.21858412 0.389831 -1.11795226 -4.63104544 -4.72812531 0.23708147 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66309-69-1 20848883 170465103 A Cefotiam hydrochloride Cl.Nc1scc(n1)CC(=O)N[C@@H]4C(=O)N3C(=C(CSc2nnnn2CCN(C)C)CS[C@@H]34)C(=O)O Tox21_110730_1 -NCGC00163771-03 196704798 tox21-ror-cho-viability-p1 set1 4 -0.019105 1.42149403 1.96025373 -0.18310089 -0.04904257 -2.16368604 0.60975043 -0.13583518 1.87885784 -0.76477146 -0.78725974 -3.55157205 -2.69164668 -2.7718895 1.20283391 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00095606-02 196704799 tox21-ror-cho-viability-p1 set1 4 -4.95489218 0.43923755 -3.47243915 -1.59406453 -2.11741587 -0.3519837 -2.71382912 -5.06190224 -1.56712986 -1.75008811 0.2702585 0.64574599 -3.37947268 -4.21237042 -0.48309887 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14073-97-3 26447 170465578 F (2S,5R)-5-Methyl-2-(propan-2-yl)cyclohexanone CC(C)[C@@H]1CC[C@@H](C)CC1=O Tox21_111510_1 -NCGC00253586-01 196704803 tox21-ror-cho-viability-p1 set1 4 -1.59661577 0.84395476 -3.21397713 -1.34428636 0.50245517 -3.90946451 -0.19995106 -2.55433932 -0.94754287 -3.65602595 -3.05890813 -4.29879193 -0.79537316 2.08792135 1.17690444 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5579-81-7 16683101 170465491 F Ac Isalon O=C(N)NC1N=C(O[Al](O)O)NC1=O Tox21_113724 -NCGC00259253-01 196705615 tox21-ror-cho-viability-p1 set1 4 5.21938599 -0.86875298 1.0325287 0.90530187 -1.10929337 1.40875683 0.1375401 4.22757527 0.68084393 12.52564616 0.77149082 2.5137016 1.6469852 1.53154344 1.71347951 1.165E-9 2.605E-9 5.824E-9 1.302E-8 2.912E-8 6.5109999999E-8 1.456E-7 3.256E-7 7.28E-7 0.000001628 0.00000364 0.000008139 0.0000182 0.0000407 0.000090999999999 106-48-9 4684 144208902 A A 4-Chlorophenol Oc1ccc(Cl)cc1 Tox21_201704 -NCGC00257624-01 196730402 tox21-ror-cho-viability-p1 set3 4 -3.30701151 -2.96416484 -2.82047734 -1.80532825 -2.43886651 -0.71282589 1.74375791 -1.507972 -0.89446433 -2.29868565 -0.13340302 -3.71334116 3.18125123 1.49003163 -0.90818205 1.191E-9 2.663E-9 5.954E-9 1.331E-8 2.977E-8 6.657E-8 1.489E-7 3.3289999999E-7 7.4429999999E-7 0.0000016639999999 0.000003721 0.0000083209999999 0.00001861 0.000041609999999 0.00009304 1817-73-8 15752 144207268 A A 2-Bromo-4,6-dinitroaniline Nc1c(cc(cc1Br)[N+]([O-])=O)[N+]([O-])=O Tox21_200070 -NCGC00258041-01 196729992 tox21-ror-cho-viability-p1 set3 4 0.4850835712 12.596192184 -8.596192184 4 0.3 0.7090227891 0.0347570625 -9.24682682 -3.78315174 -4.32765499 -8.88516493 -3.27822081 -1.76814317 -4.85192494 -3.39313557 -2.58378048 -0.18681886 0.28990813 0.25457293 -0.92141002 -0.02107611 4.23731899 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.00004119 0.000092099999999 51-55-8 174174 144207685 A A Atropine CN3[C@H]1CC[C@@H]3C[C@@H](C1)OC(=O)C(CO)c2ccccc2 Tox21_200487 -NCGC00258486-01 196730396 tox21-ror-cho-viability-p1 set3 4 7.5942524034 -7.3484495439 -0.5 -7.8484495439 3.9294729863 0.5721036862 0.6783928537 -2.72305503 -54.19475636 0.73901186 0.53757601 -0.01420064 0.0924058 0.07235047 2.2675116 -7.45189349 -0.42664601 0 -4.38175978 -7.79037462 -7.59008302 -1.993592 1.167E-9 2.609E-9 5.835E-9 1.305E-8 2.917E-8 6.523E-8 1.459E-7 3.262E-7 7.2929999999E-7 0.000001631 0.0000036469999999 0.000008154 0.00001823 0.00004077 0.00009117 95-55-6 5801 144208130 A Fns 2-Aminophenol Nc1ccccc1O Tox21_200932 -NCGC00258688-01 196730399 tox21-ror-cho-viability-p1 set3 4 2.30862346 3.14187938 3.79127591 0.56025769 1.34082129 -2.58483429 1.32541774 1.80317162 1.1306854 1.57322476 3.8290582 0.83768523 -3.42513048 -2.38655088 -0.21928538 1.159E-9 2.591E-9 5.793E-9 1.2949999999E-8 2.896E-8 6.4759999999E-8 1.448E-7 3.238E-7 7.241E-7 0.0000016189999999 0.00000362 0.000008096 0.0000181 0.000040479999999 0.00009051 8021-39-4 460 144208334 D Creosote, wood Oc1ccccc1OC Tox21_201136 -NCGC00258662-01 196730415 tox21-ror-cho-viability-p1 set3 4 1.73094588 1.90416447 1.09490104 -1.78141482 1.38669539 0.53527395 0.64772515 2.29576345 0.69193848 2.49601693 0.25167282 0.84277454 -3.28164315 -3.64020738 -1.25406522 1.164E-9 2.602E-9 5.819E-9 1.301E-8 2.909E-8 6.506E-8 1.4549999999E-7 3.253E-7 7.274E-7 0.0000016259999999 0.0000036369999999 0.000008132 0.00001818 0.000040659999999 0.00009092 56-54-2 5953 144208308 A B Quinidine COc1cc2c(cc1)nccc2[C@H](O)[C@H]4CC3CCN4C[C@@H]3C=C Tox21_201110 -NCGC00164449-04 196730418 tox21-ror-cho-viability-p1 set3 4 15.3553036427 -17.199048652 0 -17.199048652 3.1319983358 0.9381898041 0.000059676 1.46064932 0.99127537 0.35881058 -0.35170878 -0.5926255 -2.54043122 0.12487764 -0.14937083 1.47175801 -1.01375998 -0.78773596 0.37655078 -12.55437698 -15.99920721 -7.18434901 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00258394-01 196730419 tox21-ror-cho-viability-p1 set3 4 1.57333193 -0.55860224 -1.23946273 1.44332595 -7.29227423 1.61891949 1.21511652 1.37951373 2.43382247 2.27051805 0.5658786 -0.61750625 3.04734168 0.66979154 2.57350062 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.961E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008275 0.0000185 0.00004138 0.000092519999999 542-88-1 10967 144208038 A A Bis(chloromethyl) ether ClCOCCl Tox21_200840 -NCGC00159391-03 196723121 tox21-ror-cho-viability-p1 set3 4 37.5780357627 16.6539341759 -0.6539341759 16 4.9549173134 0.5180541066 0.1634014665 0.78416241 -1.40148857 0.79034202 -0.20260472 3.011918 -1.74796874 1.56421963 1.38881417 0.46882732 -8.87827848 3.24588837 -1.54148128 -3.40027167 -2.95346796 11.79664586 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71-67-0 6282 170465816 F Sulfobromophthalein [Na+].[Na+].[O-]S(=O)(=O)c1cc(ccc1O)C3(OC(=O)c2c(Br)c(Br)c(Br)c(Br)c23)c4ccc(O)c(c4)S([O-])(=O)=O Tox21_111628_1 -NCGC00253652-01 196722709 tox21-ror-cho-viability-p1 set3 4 14.9600854925 15.2520203439 -0.2520203439 15 0.4 0.4784156507 0.1990313554 -0.7953062 0.3444721 2.25419139 -1.86883298 2.59051213 1.97781981 0.56207228 2.62705269 -1.87668362 5.08036506 10.28467904 0.73577649 8.22112472 2.90613293 12.64871429 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1078-19-9 14112 170466752 A A 6-Methoxy-?1-?tetralone COc2ccc1c(CCCC1=O)c2 Tox21_113778 -NCGC00015254-20 196722717 tox21-ror-cho-viability-p1 set3 4 0.2984929481 7.1703805159 -3.6703805159 3.5 4.9549173134 0.3250654012 0.3437872135 1.84791365 -1.93011207 -0.38665677 -0.03998084 -1.2852142 -12.1099214 0.23848479 -16.80865043 4.65682107 2.38502055 9.08622432 3.61176546 1.76029761 0.33000187 3.06792542 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5786-21-0 2818 170464853 A Clozapine CN1CCN(CC1)C2=Nc4cc(Cl)ccc4Nc3ccccc23 Tox21_110113_1 -NCGC00164567-02 196723120 tox21-ror-cho-viability-p1 set3 4 -0.35683656 -0.16568782 0.55404348 -1.3242335 1.0030824 1.10866216 -1.7498245 -0.74666067 -3.09276766 0.64155397 -4.00718447 -1.72000107 -8.07221107 3.66464799 2.67517618 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 129273-38-7 115367 170466096 A Perospirone hydrochloride Cl.O=C4N(CCCCN1CCN(CC1)c3nsc2ccccc23)C(=O)[C@@H]5CCCC[C@H]45 Tox21_112196_1 -NCGC00168348-03 196723123 tox21-ror-cho-viability-p1 set3 4 0.7497803863 -13.492279832 2 -11.492279832 0.3 0.6825101569 0.0571042349 -0.17915532 1.97965075 1.37781425 -4.66592019 1.64044179 -3.77680329 -3.04217539 -3.48404037 -3.91805465 -5.84217312 -2.09547243 -6.57517229 -8.29489793 -8.32689986 10.06268418 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 90162-60-0 65681 170466617 A Isbufylline CC(C)Cn2cnc1c2C(=O)N(C)C(=O)N1C Tox21_112621_1 -NCGC00164625-04 196723126 tox21-ror-cho-viability-p1 set3 -1.2 0.4730794415 -41.2658345378 0.1121166529 -41.1537178849 1.826479391 0.9339028658 0.0000378934 1.12201396 -0.32617343 -0.26290781 -3.90560658 7.58686929 0.89647336 -7.17759959 -7.10184236 -13.32515321 -32.17793195 -36.98829245 -43.43409819 -50.17079765 -40.17692395 -29.72638439 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 143201-11-0 23663992 170465109 A Cerivastatin sodium [Na+].CC(C)c1nc(c(/C=C/[C@@H](O)C[C@@H](O)CC([O-])=O)c(c1COC)c2ccc(F)cc2)C(C)C Tox21_112244_1 -NCGC00015453-08 196712787 tox21-ror-cho-viability-p1 set2 4 -4.9518691 -4.99942141 -1.32161991 0.46267851 -0.64942712 -4.06475014 -0.94525968 0.92843548 0.93332023 0.59421311 -0.18710445 0.95028994 1.44774006 0.65518885 0.21450312 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 153439-40-8 63002 170464669 A Fexofenadine hydrochloride Cl.O=C(O)C(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4 Tox21_113125_1 -NCGC00024563-05 196712767 tox21-ror-cho-viability-p1 set2 4 -2.12660059 -2.58931452 -1.7729712 -0.27064884 -2.52009137 -2.85334194 -3.64734253 -2.16613578 0.15904897 0.25885541 -0.60199469 -0.3201305 0.3217016 2.96532972 0.10961074 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123040-69-7 2264 170466158 Ac Azasetron hydrochloride Clc1cc(c2OCC(=O)N(C)c2c1)C(=O)NC4CN3CCC4CC3 Tox21_110906_1 -NCGC00090764-04 196712783 tox21-ror-cho-viability-p1 set2 4 -0.85463709 -0.30994371 -1.00702813 0.14164959 -2.37985366 -2.59807655 1.42042319 -3.00662692 -4.08965279 -6.01384548 -3.27178345 -5.65324028 0.9512657 -0.31128267 1.10163535 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21245-02-3 30541 170465499 A 2-Ethylhexyl 4-(dimethylamino)benzoate CN(C)c1ccc(cc1)C(=O)OCC(CC)CCCC Tox21_111013_1 -NCGC00186654-01 196712784 tox21-ror-cho-viability-p1 set2 4 2.6603212004 -20.1478736 2.5 -17.6478736 4.9549173134 0.9485395495 0.000023852 2.26478197 4.95955725 3.43126777 3.6858566 1.53344806 1.02118461 2.43575605 0.05906931 3.87578244 0.8508639 0.26030813 -17.52706576 -13.65154934 -20.123228 -2.57609381 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 723-46-6 5329 170464637 A Sulfamethoxazole Cc2cc(NS(=O)(=O)c1ccc(N)cc1)no2 Tox21_110480_1 -NCGC00160400-02 196713181 tox21-ror-cho-viability-p1 set2 4 -0.1779401 -1.29808345 -2.59301901 -3.81773326 -2.05151403 -0.44260274 -3.03908819 -0.81818096 -0.60078884 -0.36192001 -1.10629087 -1.68616273 0.36310869 -0.29087369 -0.06785037 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17289-49-5 28446 170466070 A Tetridamine CNc1c2CCCCc2nn1C Tox21_111789_1 -NCGC00166259-02 196713189 tox21-ror-cho-viability-p1 set2 4 -4.70717487 -0.56177696 -0.6441295 -4.68993422 -2.72913613 -0.55450853 -2.33562861 -0.62163077 0.76487471 -0.8487387 -0.27209418 -0.33473569 -1.84591716 -0.27766007 -2.03932558 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5232-99-5 243274 170466489 A Ethyl 2-cyano-3,3-diphenylacrylate O=C(OCC)C(\C#N)=C(\c1ccccc1)c2ccccc2 Tox21_112378_1 -NCGC00091011-05 196714686 tox21-ror-cho-viability-p1 set2 2.1 27.3060203028 109.3190590969 -5.5630513605 103.7560077364 1.372261 0.9438027728 0.0000158614 -7.50775503 -8.92370403 -8.18249837 -8.64724547 -5.43256226 -5.90704748 -6.53264085 -9.28628288 -5.62210652 4.41010219 13.8019044 18.96525172 23.06794184 56.23492627 102.32347903 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00255009-01 196714265 tox21-ror-cho-viability-p1 set2 4 0.44673127 2.61272449 1.23177228 1.83856991 0.88756058 -0.1904369 0.85883361 0.72038695 1.88152637 1.22844564 2.00569134 1.46034689 2.92156978 1.88956376 5.92549286 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 149979-41-9 6259842 144211426 A C Tepraloxydim CC/C(=N\OC\C=C\Cl)C=1C(=O)CC(CC=1O)C2CCOCC2 Tox21_301109 -NCGC00254470-01 196714678 tox21-ror-cho-viability-p1 set2 4 1.6380494 2.09582198 -0.06147155 0.48402404 -0.10219027 0.24385485 3.31622329 -0.15204638 0.05618442 0.33621736 -0.05374408 -6.1751055 2.50472846 2.788173 4.42873387 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 335-76-2 9555 144210925 PFDA FC(F)(C(F)(F)C(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300608 -NCGC00254900-01 196714682 tox21-ror-cho-viability-p1 set2 4 -4.97543544 -7.68284342 -2.75274138 -3.28467375 -0.87770096 -7.14895993 -7.63749739 -6.26847843 -1.24883606 0.74720602 -0.24025252 -3.97062719 -1.36476096 -3.53238488 1.18347132 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 298-00-0 4130 144211315 C Methyl parathion S=P(Oc1ccc(cc1)[N+]([O-])=O)(OC)OC Tox21_300998 -NCGC00255240-01 196710949 tox21-ror-cho-viability-p1 set2 4 2.88286356 3.30874037 -1.26159335 4.76246192 1.36324543 0.27809071 0.11013623 -1.12373603 0.30445603 3.28058935 2.27511769 2.30673811 2.05698242 -0.33193076 -0.7712458 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 115-90-2 8292 144212175 A A Fensulfothion O=S(C)c1ccc(OP(=S)(OCC)OCC)cc1 Tox21_301858 -NCGC00255171-01 196710549 tox21-ror-cho-viability-p1 set2 -2.2 68.5896218971 -70.7534873008 -2.199508886 -72.9529961868 4.0449729863 0.9674919737 7.655E-7 -5.67895414 0.59130387 -7.06532241 -2.43619949 -2.88337784 0.15528771 -6.88691619 -2.62783189 -2.97089182 -0.28558127 0.14702976 -0.43200042 0.06419512 -10.71588399 -56.40378499 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79794-75-5 3957 144211849 A A Loratadine Clc3cc4CCc1cccnc1C(=C2/CCN(CC2)C(=O)OCC)\c4cc3 Tox21_301532 -NCGC00255809-01 196710550 tox21-ror-cho-viability-p1 set2 4 13.6854287769 5.71558382 -1.21558382 4.5 1.4487170999 0.3226376649 0.3668371081 -0.05267844 -1.05611008 -0.07572575 0.26395872 0.02476731 0.59897914 -6.84631985 -3.13600917 1.60026836 -3.62669435 0.49074866 1.43614151 1.05183714 4.10097459 -0.05392713 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4420-74-0 20473 144212494 F Fns 3-Mercaptopropyltrimethoxysilane CO[Si](CCCS)(OC)OC Tox21_302177 -NCGC00256158-01 196710946 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -47.4216510634 1.4369863239 -45.9846647395 4.9549173134 0.9758804304 1.401E-7 -0.17447243 3.58704986 1.1309429 3.92575305 1.12877295 0.23337709 2.40578749 1.66974372 -0.67939132 3.97085706 1.33480096 0.27306206 -0.3358435 -0.31818347 -37.28941646 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 42594-17-2 3036974 144211588 A A Octahydro-1H-4,7-methanoindene-1,5-diyldimethanediyl bisprop-2-enoate C=CC(=O)OCC2CCC3C1CC(CC1COC(=O)C=C)C23 Tox21_301271 -NCGC00255415-01 196710954 tox21-ror-cho-viability-p1 set2 4 0.0017228934 15.551403324 -14.551403324 1 1.6258976909 0.6852929535 0.0457416893 -10.45950277 -0.37129207 -5.38088085 1.14089386 1.67215697 3.8020447 0.08074816 0.24755793 -0.30193276 1.60288186 1.57446397 1.5606615 -0.36663484 0.81923638 0.67495176 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2465-59-0 4644 144211537 A A Oxypurinol O=C1NC(=O)Nc2nncc12 Tox21_301220 -NCGC00255411-01 196710958 tox21-ror-cho-viability-p1 set2 4 0.0019331182 14.251715672 -14.251715672 0 1.0999999999 0.7192472932 0.0306656347 -10.20976306 -4.50163225 -3.22284263 -3.38127357 1.20139465 0.41760929 -2.78975955 -3.40564119 -0.04316119 0.01569374 -0.6647365 0.24010877 0.04107654 1.76528505 3.0696284 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1928-38-7 1488 144211739 A A 2,4-D-methyl Clc1cc(Cl)ccc1OCC(=O)OC Tox21_301422 -NCGC00255968-01 196710963 tox21-ror-cho-viability-p1 set2 4 2.563818 6.00407233 3.7814093 -0.52549296 4.38121649 3.01346384 0.21689225 4.27814162 -0.59316708 2.46597622 2.88416317 2.07022721 4.05798802 2.85680879 10.41212884 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 34451-19-9 6999977 144211634 A Ac Butyl (2S)-2-hydroxypropanoate O[C@@H](C)C(=O)OCCCC Tox21_301317 -NCGC00357253-01 196711360 tox21-ror-cho-viability-p1 set2 2.4 76.9588215421 20.3540785881 1.6459214119 22 4.9549173134 0.8055577898 0.0071489035 3.75134713 0.03023384 -0.29506549 2.05447411 -0.02616908 3.30324619 0.35800736 4.04055094 0.71878061 3.27875464 1.71509959 5.8810007 -0.23442643 0.84725511 17.3019684 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56070-16-7 41718 251919774 F Terbufos sulfone CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C Tox21_304046 -NCGC00063561-03 196725697 tox21-ror-cho-viability-p1 set3 4 -3.61609845 4.47519394 0 -0.28316075 -3.86361575 0.02695743 -1.34330009 3.22142018 1.76359801 -2.08889283 3.87693759 0.05039058 2.28397399 1.6168441 4.22796038 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 668-94-0 69588 170465946 A 4,5-Diphenylimidazole c1ccc(cc1)c2ncnc2c3ccccc3 Tox21_110979_1 -NCGC00260357-01 196724447 tox21-ror-cho-viability-p1 set3 4 0.5509270721 -5.737793672 0.5 -5.237793672 4.9549173134 0.4620266818 0.231118183 -4.8611066 -2.63187049 2.55483861 -1.56261537 3.08343241 1.0675342 3.38751283 5.15275147 -5.72480122 -6.47074199 -9.36482806 -7.14690429 -0.73130209 -2.46496184 -2.30114117 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.33E-7 7.445E-7 0.000001665 0.0000037229999999 0.000008324 0.00001861 0.00004162 0.00009306 1934-75-4 4350929 144210009 A A Cyanamide,cyano-,sodium salt [Na+].N#C[N-]C#N Tox21_202811 -NCGC00260213-01 196724448 tox21-ror-cho-viability-p1 set3 4 -6.77662654 -1.50238053 3.86825976 1.45961422 3.23143741 2.84643251 6.14014168 -1.03654382 -5.03932841 -4.31512334 -1.01837753 -2.68476097 -1.1117174 0.55507876 -3.55157017 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.386E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 NOCAS_49384 60196383 144209863 A A 1-Butyl-1-methylpiperidinium trifluoromethanesulfonate FC(F)(F)S([O-])(=O)=O.C[N+]1(CCCC)CCCCC1 Tox21_202665 -NCGC00181342-02 196725688 tox21-ror-cho-viability-p1 set3 4 1.70190203 0.80023452 1.00982804 3.39361859 5.51017392 3.019203 8.61537752 0 0 6.8211405 8.40928609 13.39064947 3.34119158 2.07788463 5.68156496 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 89396-94-1 5485193 170466024 A Imidapril hydrochloride Cl.OC(=O)[C@@H]2CN(C)C(=O)N2C(=O)[C@H](C)N[C@@H](CCc1ccccc1)C(=O)OCC Tox21_112801_1 -NCGC00091483-03 196726111 tox21-ror-cho-viability-p1 set3 -2.4 61.130564862 -27.1998140439 -0.5 -27.6998140439 3.1924983358 0.749608301 0.0196509115 -0.66188191 -0.70482624 10.69633039 -0.16385283 -0.6304558 -2.48023895 -2.36825722 -2.15588799 -1.82953926 -2.94584195 -1.75013987 -0.76081314 -1.97314207 -6.23502583 -21.83317837 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00091011-05 196726118 tox21-ror-cho-viability-p1 set3 1.2 6.8589621897 32.9500966432 0.3857711 33.3358677432 2.4063783767 0.9916542361 3E-10 0 0 -1.34519075 -1.31508327 -0.49181931 1.45693188 0.80505661 1.67098096 3.1078361 0.9297044 6.76385609 20.58072649 30.51962574 34.32841398 31.84235337 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00253918-01 196698782 tox21-ror-cho-viability-p1 set1 4 0.0544826733 4.0256422919 -3.5256422919 0.5 2.7202212143 0.5058021522 0.1766002143 -1.30736037 -3.27992898 -3.78104572 -5.85470191 -3.19127861 -0.59200143 -0.90939906 2.94736568 -0.21259089 -0.01362307 -0.68249515 0.58874343 -0.77060653 -1.07393843 5.92345908 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-46-3 5054 144210460 A A Resorcinol Oc1cccc(O)c1 Tox21_300140 -NCGC00255988-01 196700435 tox21-ror-cho-viability-p1 set1 4 61.130564862 -19.050247648 -0.5 -19.550247648 2.8472712143 0.745477499 0.0210692504 -3.10326777 -1.57372737 2.872338 -3.79051618 0.38593522 3.19508582 -0.40205531 -3.49547631 3.24783651 -0.13466173 -0.63001692 -1.52400436 -2.23530332 -4.5946655 -15.04187304 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13614-98-7 54685925 144211907 A I Minocycline hydrochloride Cl.CN(C)c2ccc(O)c1C(=O)C3=C(O)[C@]4(O)C(=O)C(=C(O)[C@@H](N(C)C)[C@@H]4C[C@@H]3Cc12)C(N)=O Tox21_301590 -NCGC00255960-01 196700436 tox21-ror-cho-viability-p1 set1 4 -0.20291087 0.34714595 1.19110689 1.01505154 3.88420529 2.27539922 1.74414172 4.74970317 1.33694352 2.52500901 -2.22141604 0.04633386 0.45982583 4.71026067 7.32205944 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1892-29-1 15906 144212498 A A 2-Hydroxyethyl disulfide OCCSSCCO Tox21_302181 -NCGC00255439-01 196700828 tox21-ror-cho-viability-p1 set1 4 -1.83071209 -9.08264184 -11.44010554 0.65139427 -1.0473358 0.65341879 -1.77140416 -9.2101976 -1.23157163 -1.12703661 0.00202774 0.48513817 -6.40861243 1.95342008 0.37338167 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7011-83-8 285097 144212629 A A Dihydrojasmone lactone O=C1CCC(C)(CCCCCC)O1 Tox21_302312 -NCGC00090698-04 196698383 tox21-ror-cho-viability-p1 set1 4 0.28941031 -2.22383594 -2.85904451 -0.96953561 -1.39054262 -0.21490049 -0.67850216 -0.19358872 -0.29246687 -1.85578961 1.333339 -2.86185879 -1.87221848 -2.29222639 -2.37786644 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00255034-01 196698777 tox21-ror-cho-viability-p1 set1 4 38.5707788719 -13.306527904 -1.5 -14.806527904 1.9673362061 0.8118422161 0.0062473157 -1.89855378 -4.75758529 0.99681489 -1.93976947 -3.30562081 0.05506289 -0.97850312 -2.93252828 -0.22606009 0.87639479 -2.48833748 -0.70742527 -5.38227327 -7.53348927 -14.00543992 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88671-89-0 6336 144211452 A A Myclobutanil Clc1ccc(cc1)C(CCCC)(Cn2cncn2)C#N Tox21_301135 -NCGC00254552-01 196698778 tox21-ror-cho-viability-p1 set1 -2.2 60.6956566923 -50.5115214175 -1.223662972 -51.7351843895 3.2474983358 0.9739119568 2.195E-7 -4.39412407 -1.57638636 0.31678754 -4.55459315 -2.90863868 0.77058094 -0.09902455 -0.88418678 -3.55248174 -0.18731987 0.39021451 -1.06553375 -2.32741326 -12.0376534 -41.46604878 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.0000036659999999 0.000008198 0.00001833 0.00004099 0.000091659999999 23031-36-9 16760153 144210961 A Ac Prallethrin O=C2C[C@@H](OC(=O)[C@H]1[C@H](/C=C(\C)C)C1(C)C)C(C)=C2CC#C Tox21_300644 -NCGC00254034-01 196698797 tox21-ror-cho-viability-p1 set1 4 -1.98856017 -1.18122509 1.55878691 -0.65775449 -2.45413294 -1.55418217 1.70311981 -2.82240959 -1.7870032 -5.66152645 -1.52195849 6.66391411 1.72884423 -2.08305551 1.00188948 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-78-2 2244 144210466 A Fc Aspirin O=C(C)Oc1ccccc1C(=O)O Tox21_300146 -NCGC00090942-03 196699192 tox21-ror-cho-viability-p1 set1 -1.1 30.6378586933 -74.6299323308 0.1400181069 -74.4899142239 4.5044702849 0.9851623378 8.4E-9 -2.26840154 5.83324757 -0.9950306 -1.35933939 1.11837966 -1.12888222 -0.07001413 0.50578733 -0.99141591 -0.97309176 -1.73546277 0.34900782 -5.30515431 -57.95878319 -82.76657136 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00254453-01 196699199 tox21-ror-cho-viability-p1 set1 4 -2.17330749 -1.80660329 3.43882602 -0.26399924 0.11601502 0.55658785 -2.03954765 0.28395281 -3.59601746 2.71337262 -0.23936676 1.47706529 0.98806897 2.82666193 5.3015426 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-60-6 10698 144210666 A A 2,4,6-Trimethylphenol Cc1cc(C)c(O)c(C)c1 Tox21_300348 -NCGC00163927-04 196699203 tox21-ror-cho-viability-p1 set1 4 2.22859773 -7.84991374 -1.11720817 1.92744221 -2.58216759 -9.89571136 -7.76971159 -7.43748687 -0.56922901 -1.97452266 0.24937536 -9.57163044 -8.01006349 -6.78751405 -0.70303089 1.203E-9 2.6889999999E-9 6.014E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003759 0.000008404 0.000018789999999 0.00004202 0.000093959999999 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00254291-01 196699210 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -11.5676546279 -1.5 -13.0676546279 4.4494702849 0.8014615267 0.0080940901 -2.76622957 -1.82712292 0.1078478 -0.20576198 -2.44901305 -0.8148099 -2.40304743 -1.54201299 -2.45268343 -0.06625405 -1.86190649 0.52342865 -0.76302213 -1.74354982 -9.63971219 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 230954-09-3 9866250 144210751 A A CP-544439 O=S(=O)(NC1(CCOCC1)C(=O)NO)c3ccc(Oc2ccc(F)cc2)cc3 Tox21_300433 -NCGC00259737-01 196706828 tox21-ror-cho-viability-p1 set1 4 -11.07267783 -5.01130595 -9.65874461 -13.46998116 -7.71000244 -5.10111539 -7.63470152 -6.66269733 -4.13511948 -6.78003391 -12.35801759 -3.36095242 -10.65778329 -8.47258918 -4.32565643 1.16E-9 2.594E-9 5.7999999999E-9 1.297E-8 2.9E-8 6.485E-8 1.45E-7 3.2419999999E-7 7.2499999999E-7 0.000001621 0.000003625 0.000008106 0.000018129999999 0.00004053 0.000090629999999 80-26-2 111037 144209386 A A alpha-Terpinyl acetate CC(=O)OC(C)(C)C1CC=C(C)CC1 Tox21_202188 -NCGC00090987-03 196720530 tox21-ror-cho-viability-p1 set3 4 3.8570778872 -8.185274316 5.5 -2.685274316 4.9549173134 0.375301018 0.2958320531 8.19469787 1.07574047 3.20090609 8.66629428 4.51361649 -4.59817706 8.94644907 3.92496878 6.71816601 14.96092962 1.28483025 -5.10547312 3.40059319 -2.44899589 -5.57106193 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00091468-02 196707237 tox21-ror-cho-viability-p1 set1 4 0.0078291206 -9.802997376 -7.032987576 -16.835984952 4.9549173134 0.6276567835 0.0784161616 -10.54040101 -4.61082298 -8.27853178 -18.47680902 -15.09134501 -13.33887671 -18.40182245 -16.40049118 -22.77998746 -20.16791262 -19.20807199 -17.34817813 -14.03356631 -13.51521686 -14.77428173 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00259758-01 196706409 tox21-ror-cho-viability-p1 set1 4 -11.33969365 -9.93330247 -3.54723545 -14.72645726 -5.49382518 -9.49327298 -2.86871933 -9.56964001 -9.23388276 -12.95421823 4.15334241 0.53568475 -5.51144784 -13.95179022 -8.02674186 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004127 0.00009229 334-48-5 2969 144209407 A A Decanoic acid O=C(O)CCCCCCCCC Tox21_202209 -NCGC00257370-01 196707225 tox21-ror-cho-viability-p1 set1 4 0.2433651621 4.19343238 0.30656762 4.5 4.9549173134 0.3602565832 0.3123747959 1.50358773 0.25559938 -5.16119365 1.6887097 2.1498072 0.71796441 0.2103247 3.55918967 10.04037643 0.7057929 0.98180212 7.78859599 1.19589575 5.00054631 5.7336741 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-50-1 7610 144213838 A A 4-Methoxy-2-methylaniline Nc1ccc(OC)cc1C Tox21_303531 -NCGC00256764-01 196707240 tox21-ror-cho-viability-p1 set1 4 -3.06237011 0.73156717 0.41667293 1.08938956 0.79030024 -1.90409816 -0.02711331 -1.47931551 3.24826866 -1.78343545 -0.21632401 2.79677172 1.27236673 2.42763369 -2.00280871 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27593-23-3 33960 144212887 A A 6-Pentyl-2H-pyran-2-one O=C1C=CC=C(CCCCC)O1 Tox21_302570 -NCGC00256508-01 196707640 tox21-ror-cho-viability-p1 set1 4 -1.10812175 -4.42830342 -0.67797478 -6.27148552 -1.18586537 -9.58500664 1.2265561 0.06618106 0.45119551 3.91936834 -0.22511684 -6.03571358 -9.14819044 0.73326898 -0.24435609 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-99-9 2266 144213328 A A Nonanedioic acid O=C(O)CCCCCCCC(=O)O Tox21_303011 -NCGC00257478-01 196707657 tox21-ror-cho-viability-p1 set1 4 1.23178137 2.28927028 2.9718745 0.03816201 0.27664645 3.06897821 3.57256987 4.39563119 8.97085865 5.18190832 4.17059771 3.27678458 3.59157124 1.57136809 6.55680061 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1625-91-8 74195 144213866 A Ac 4,4'-Di-tert-butylbiphenyl CC(C)(C)c1ccc(cc1)c2ccc(cc2)C(C)(C)C Tox21_303561 -NCGC00257035-01 196707662 tox21-ror-cho-viability-p1 set1 4 -7.80244714 -9.60118198 -13.61152437 -11.42742464 -4.65158 -5.72073469 -14.72307847 -6.97553433 -16.78518553 -3.79924633 -8.67956341 -3.43021233 -4.25085513 -7.54296215 -1.06241523 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-60-7 8200 144213562 Cc Fns Tetraethylene glycol OCCOCCOCCOCCO Tox21_303245 -NCGC00257409-01 196707664 tox21-ror-cho-viability-p1 set1 4 0.35814065 1.86859934 0.34130714 0.34469011 -1.8042935 0.64708882 1.60892058 -7.31211448 -0.06090981 1.22291272 0.70921134 1.0364321 1.8131456 1.47458183 2.62724564 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 7534-94-3 904857 144213884 A Ac Isobornyl methacrylate C=C(C)C(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C Tox21_303579 -NCGC00256438-01 196708064 tox21-ror-cho-viability-p1 set1 4 -12.50592875 1.76888495 -0.42083995 -0.14536003 -8.89019096 -6.02403765 -5.14939726 0.44700262 -3.37925685 -10.08033391 -15.89661675 5.95376833 -5.02334476 -0.87157535 0.64254723 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76150-91-9 5382 144213187 A F 1,4-Bis[2-(3,5-dichloropyridyloxy)]benzene Clc3cc(Cl)cnc3Oc1ccc(cc1)Oc2ncc(Cl)cc2Cl Tox21_302870 -NCGC00257040-01 196708078 tox21-ror-cho-viability-p1 set1 4 -4.9378797 -6.47444221 -19.4725208 -17.04820807 -9.89719823 -19.63101731 -13.57774188 -8.69360042 -28.22915163 -21.23561438 -24.24079792 -11.02659249 -13.66813172 -6.62964173 -0.78293222 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 919-30-2 13521 144213647 F Fns 3-Aminopropyltriethoxysilane CCO[Si](OCC)(OCC)CCCN Tox21_303330 -NCGC00259905-01 196708482 tox21-ror-cho-viability-p1 set2 4 -2.30676819 0.37088624 -0.18373666 0.59137468 -0.06540806 -2.47377696 -0.46788592 -0.76683075 -1.36876388 -1.62998518 -1.61983352 -0.08387587 -0.69775998 -1.05142979 -3.92876899 1.226E-9 2.742E-9 6.131E-9 1.371E-8 3.065E-8 6.854E-8 1.5329999999E-7 3.4269999999E-7 7.663E-7 0.0000017139999999 0.000003832 0.000008568 0.00001916 0.00004284 0.00009579 930-55-2 13591 144209554 A A N-Nitrosopyrrolidine O=NN1CCCC1 Tox21_202356 -NCGC00260050-01 196724361 tox21-ror-cho-viability-p1 set3 4 2.4485085608 -15.130436744 8 -7.130436744 1.4780888099 0.9095738499 0.0001950313 9.47618396 9.84881213 6.38755764 4.84201545 6.49863832 12.41345371 6.06676475 6.76655456 6.26907701 2.8036628 -2.52533838 -3.12723429 -8.44203062 -5.02120656 -7.77826181 1.1859999999E-9 2.651E-9 5.928E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009262 10026-24-1 61444 144209699 Cobalt sulfate heptahydrate O.O.O.O.[Co+2].O.O.O.[O-]S([O-])(=O)=O Tox21_202501 -NCGC00260663-01 196724363 tox21-ror-cho-viability-p1 set3 4 0.0943917582 6.7207729159 -2.2207729159 4.5 2.5884283767 0.4962122617 0.1826194578 -3.24780059 3.37448359 -6.43397743 -0.77561394 -4.7547084 -2.58887701 0.92813694 2.6912508 4.29793917 6.41050196 1.8767567 0.1535654 1.07850109 5.13205854 11.44969673 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49559 144210316 M M NTP Mix28 AR2 3-EQP Tox21_203118 -NCGC00357128-01 196724370 tox21-ror-cho-viability-p1 set3 4 0.0306378587 8.350057496 -9.850057496 -1.5 3.5117481694 0.5199804759 0.1777206915 -2.24579771 -11.98396201 -11.41181745 -14.04171458 -5.25695191 -0.57265781 0.33683551 0.61166542 0.66476487 -0.82193687 -5.46679595 1.80815586 -2.80112668 -8.11331279 -11.07483237 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-98-6 6866 251919959 A 4,7-Dichloroquinoline Clc1cc2nccc(Cl)c2cc1 Tox21_303863 -NCGC00257254-01 196727359 tox21-ror-cho-viability-p1 set3 4 -4.15041025 -0.20867494 -23.61184413 2.14208801 -20.42386039 0 -2.583037 -1.37810465 -4.84057261 -3.39149599 0 -15.890865 -22.46216899 2.73009456 -5.04312239 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2550-26-7 17355 144213658 A A Benzylacetone CC(=O)CCc1ccccc1 Tox21_303341 -NCGC00255428-01 196700845 tox21-ror-cho-viability-p1 set1 4 -1.46379805 -4.8785869 -8.87637565 -1.59500769 -2.0325156 -1.8588494 -2.12737004 -2.92951237 -3.88937577 -1.13257245 0.04430765 -6.32699694 -0.46245321 -1.51438643 1.71611956 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 71283-80-2 91707 144211886 A B Fenoxaprop-P-ethyl O=C(OCC)[C@@H](C)Oc1ccc(cc1)Oc2nc3ccc(Cl)cc3o2 Tox21_301569 -NCGC00256249-01 196701257 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -9.68104616 2 -7.68104616 3.2974983358 0.5415863353 0.1464267181 3.31427163 1.01682337 1.00739761 0.55083071 0.85841727 0.47969873 1.22973452 2.6350798 0.71631686 7.02428447 2.26847366 1.11898278 0.97921454 0.42285036 -5.1508718 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4630-07-3 9855795 144212714 Ac F Valencene C=C(C)[C@@H]1CCC2=CCC[C@@H](C)[C@]2(C)C1 Tox21_302397 -NCGC00255860-01 196700836 tox21-ror-cho-viability-p1 set1 4 38.5707788719 9.977053888 0.022946112 10 1.8851180601 0.8106627844 0.0065469003 0.58099904 0.00239401 0.6277088 0.95226765 1.27879593 -2.48087824 0.0759822 -2.16622622 2.29708854 -0.33356308 0.53703225 0.34343035 2.2050525 4.89218113 8.75911417 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 491-07-6 70962 144212308 Z F (2R,5R)-5-Methyl-2-(propan-2-yl)cyclohexanone CC(C)[C@H]1CC[C@@H](C)CC1=O Tox21_301991 -NCGC00256104-01 196700843 tox21-ror-cho-viability-p1 set1 4 76.9588215421 19.9446557759 -0.9446557759 19 4.9549173134 0.7485001333 0.0201494677 -2.61827112 -0.93587741 -0.49058229 -7.87054648 -0.84692045 -1.24134683 1.25844476 0.72026601 0.41692997 0.03651639 -0.89339839 -0.19439653 -1.04844411 -1.8851747 13.39307926 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15332-99-7 84872 144212076 F Fns Ethenyl[tris(prop-1-en-2-yloxy)]silane CC(=C)O[Si](OC(=C)C)(OC(C)=C)C=C Tox21_301759 -NCGC00255624-01 196701262 tox21-ror-cho-viability-p1 set1 4 0.4855773367 5.4833676679 -1.4833676679 4 3.6772481694 0.6993522072 0.0483593203 -1.91849949 -0.44875479 -1.3218148 -1.47094512 -2.90280639 0.41115818 -1.41166919 -0.39041537 2.66200989 4.99234759 1.00227445 3.63435765 1.83399708 7.61234169 -0.73610556 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55117-15-2 108675 144211947 A F 1-Chloro-2-(chloromethyl)-3-fluorobenzene ClCc1c(F)cccc1Cl Tox21_301630 -NCGC00090776-02 196701663 tox21-ror-cho-viability-p1 set1 4 -9.86748044 -10.58270672 -7.05238628 -7.60212437 -11.60195548 -9.84374169 -15.09166744 -13.35808866 -1.93824059 -3.00389571 -10.31571789 -13.92745564 -8.12434775 -6.69865486 -1.202238 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00257936-01 196701673 tox21-ror-cho-viability-p1 set1 4 -5.47594963 -4.7343006 -2.79443963 -3.68232139 -12.01333006 -0.43630648 -1.95999166 -2.41028673 -2.88978862 -9.56561832 -8.51280575 -14.22610169 -7.21951287 -5.93492151 -2.55140147 1.173E-9 2.624E-9 5.867E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.28E-7 7.3329999999E-7 0.0000016399999999 0.000003667 0.0000081989999999 0.00001833 0.000041 0.00009167 96-12-8 7280 144207580 A A 1,2-Dibromo-3-chloropropane BrC(CBr)CCl Tox21_200382 -NCGC00164168-02 196702079 tox21-ror-cho-viability-p1 set1 4 4.6038586 0.11552484 3.29131704 0.62053312 5.12742227 3.64915645 7.42202762 0.79354625 2.16626206 3.68247644 -0.02425217 1.68152477 -0.81883003 6.0747678 4.07615987 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00257610-01 196702087 tox21-ror-cho-viability-p1 set1 4 0.0096688394 -16.2308352439 2 -14.2308352439 0.2 0.3144658392 0.3700808412 -0.66188048 -6.69373534 -8.70687266 -6.50707671 -10.05204687 0.29142148 -13.10902937 -11.40119896 -3.18000371 -11.34275621 -9.91047285 -13.01976006 -12.05561493 -10.78420854 -6.43247733 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.3169999999E-8 2.944E-8 6.583E-8 1.472E-7 3.291E-7 7.3599999999E-7 0.0000016459999999 0.00000368 0.000008228 0.000018399999999 0.000041139999999 0.000092 632-79-1 12443 144207254 F Tetrabromophthalic anhydride O=C1OC(=O)c2c1c(Br)c(Br)c(Br)c2Br Tox21_200056 -NCGC00258339-01 196702098 tox21-ror-cho-viability-p1 set1 4 -1.73514416 0.60408407 -0.03427683 4.48325483 2.08704168 2.77574206 1.90058327 2.22805778 -1.31065713 -0.28144985 -0.4253564 2.81114762 -1.9710368 -0.70510572 2.6029657 1.172E-9 2.621E-9 5.8609999999E-9 1.31E-8 2.9299999999E-8 6.552E-8 1.465E-7 3.276E-7 7.326E-7 0.0000016379999999 0.0000036629999999 0.00000819 0.00001831 0.00004095 0.000091569999999 106-20-7 7791 144207983 A Fc 2,2'-Diethylhexylamine CCCCC(CNCC(CC)CCCC)CC Tox21_200785 -NCGC00163815-04 196702500 tox21-ror-cho-viability-p1 set1 -2.2 41.134215767 -60.9683315609 -5.653906731 -66.6222382919 1.0999999999 0.9047614218 0.0002519286 -7.01280205 -0.70870112 -10.522625 -4.95684541 -10.53967048 -5.79757475 -8.86742884 -0.95878458 1.0205354 -8.2131042 -11.88900592 -22.33392963 -21.42633614 -32.24857767 -55.51853191 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00258636-01 196702503 tox21-ror-cho-viability-p1 set1 4 2.97669635 0.46997801 1.46562466 4.62454771 5.67321139 2.32469469 0.26560657 1.50769028 3.98219558 5.91253929 7.40358739 0.95475241 8.4034113 4.25080808 1.18086557 1.16E-9 2.595E-9 5.802E-9 1.297E-8 2.901E-8 6.487E-8 1.451E-7 3.244E-7 7.253E-7 0.000001622 0.0000036269999999 0.000008109 0.000018129999999 0.000040549999999 0.000090659999999 2174-16-5 25213 144208282 A Ac Trolamine salicylate OC(=O)c1ccccc1O.OCCN(CCO)CCO Tox21_201084 -NCGC00259276-01 196721346 tox21-ror-cho-viability-p1 set3 4 19.1543877204 7.242170756 -4.242170756 3 4.9549173134 0.3363454036 0.3341667976 -2.59153997 -4.84056492 -2.14336403 5.62983905 -2.38167064 -8.03004128 -2.527537 -7.16949677 -9.36847563 -4.49200546 -7.97218926 -7.16934998 -1.41979682 4.17652077 1.63816277 1.171E-9 2.618E-9 5.8529999999E-9 1.3089999999E-8 2.927E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.317E-7 0.0000016359999999 0.000003658 0.0000081809999999 0.00001829 0.0000409 0.00009146 463-40-1 5280934 144208925 A A Linolenic acid O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC Tox21_201727 -NCGC00259928-01 196720940 tox21-ror-cho-viability-p1 set3 4 43.2331187906 14.9908132039 -3.9908132039 11 3.0654483358 0.6385076746 0.0714397856 -5.26221011 -3.22819484 -3.00263264 4.84700324 -3.3648157 -5.04959699 -4.82857325 -4.39891521 -8.10370142 -8.32567767 -3.77907799 -4.45773647 -4.2884588 3.19740957 9.77251704 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 91-62-3 7059 144209577 A Ac 6-Methylquinoline Cc1ccc2ncccc2c1 Tox21_202379 -NCGC00259092-01 196720942 tox21-ror-cho-viability-p1 set3 4 27.667411695 17.944688976 -3.944688976 14 1.0999999999 0.6554548248 0.0610789341 -8.65085277 -0.80224954 0.56530875 -2.37085959 -3.79737667 -8.4963546 -5.2339866 -8.70390748 -3.26974855 3.9285026 -1.2999736 -2.97881147 3.14718446 8.10128565 10.51024892 1.193E-9 2.6679999999E-9 5.9659999999E-9 1.3339999999E-8 2.9829999999E-8 6.67E-8 1.491E-7 3.335E-7 7.457E-7 0.0000016669999999 0.000003728 0.000008337 0.00001864 0.000041689999999 0.000093209999999 520-36-5 5280443 144208740 A A Apigenin Oc1ccc(cc1)C3=CC(=O)c2c(cc(O)cc2O)O3 Tox21_201542 -NCGC00259711-01 196721341 tox21-ror-cho-viability-p1 set3 4 -5.39470832 -5.39106375 -5.34735283 0.36759595 -7.17967569 -2.87542708 -5.11789431 -8.99179683 -7.02285594 -1.37565688 0.72999943 -3.5607941 -8.86390123 -2.57424437 -7.60028129 1.156E-9 2.585E-9 5.779E-9 1.292E-8 2.8899999999E-8 6.4619999999E-8 1.4449999999E-7 3.231E-7 7.224E-7 0.000001615 0.000003612 0.0000080769999999 0.000018059999999 0.00004039 0.0000903 59756-60-4 43079 144209360 A A Fluridone CN1C=C(C(=O)C(=C1)c2cc(ccc2)C(F)(F)F)c3ccccc3 Tox21_202162 -NCGC00259357-01 196721348 tox21-ror-cho-viability-p1 set3 4 -6.2045205 -4.88701066 -4.28503943 -2.08740899 -7.06393932 -8.13551803 -6.11042461 -9.08272133 -6.26373005 -0.50853753 -7.10095671 -9.1837229 -9.58713615 -5.7923665 -15.94601438 1.167E-9 2.609E-9 5.8339999999E-9 1.304E-8 2.917E-8 6.522E-8 1.458E-7 3.261E-7 7.2919999999E-7 0.000001631 0.000003646 0.000008153 0.00001823 0.000040759999999 0.00009115 1077-28-7 864 144209006 A A alpha-Lipoic acid O=C(O)CCCCC1CCSS1 Tox21_201808 -NCGC00259486-01 196721730 tox21-ror-cho-viability-p1 set3 4 31.0433465046 11.5216143759 -9.6975149359 1.82409944 1.4163171 0.3137973278 0.3549576315 -16.15117403 -6.72817363 -9.76469698 -3.45753873 -5.52954622 -11.6938589 -15.40469183 -10.41572734 -17.66459578 -1.56209869 -7.86338101 -10.52663499 -5.4590509 -2.8897938 -0.1465838 1.193E-9 2.667E-9 5.9649999999E-9 1.3339999999E-8 2.982E-8 6.669E-8 1.491E-7 3.3339999999E-7 7.456E-7 0.0000016669999999 0.000003728 0.000008336 0.00001864 0.00004168 0.0000932 50-70-4 5780 144209135 D-Glucitol O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)CO Tox21_201937 -NCGC00258976-01 196721741 tox21-ror-cho-viability-p1 set3 4 -9.3991326 -3.88051273 -2.98849189 5.767802 -6.07592507 -6.88951647 -3.24020459 -6.19314727 -7.17198748 -1.50190066 -5.12332845 -5.33668664 -1.45527747 -3.02592063 -0.58376868 1.18E-9 2.6389999999E-9 5.9009999999E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.299E-7 7.376E-7 0.000001649 0.000003688 0.0000082469999999 0.00001844 0.000041229999999 0.0000922 1747-60-0 15630 144208623 A A 2-Amino-6-methoxybenzothiazole COc1ccc2nc(N)sc2c1 Tox21_201425 -NCGC00159417-06 196721744 tox21-ror-cho-viability-p1 set3 -2.1 35.1818565023 -60.1919424202 -5.7127355689 -65.9046779891 1.9673362061 0.9440174388 0.0000155508 -10.55175851 1.1045057 -8.38810341 0.12147254 -1.26536858 -9.53245803 -2.68642592 -10.27559267 -7.86362586 -2.7533285 -8.09393446 -12.86580766 -16.51531571 -43.532464 -61.02284999 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00259803-01 196722128 tox21-ror-cho-viability-p1 set3 4 -1.02961925 -9.99015075 -7.14169426 -4.26174304 -0.95834897 -5.38548024 -0.20720402 -8.64877817 -1.5055524 -5.19986923 -4.87743251 -7.69706513 -4.42060346 -2.60971788 2.43473671 1.1919999999E-9 2.6659999999E-9 5.9609999999E-9 1.333E-8 2.98E-8 6.664E-8 1.49E-7 3.332E-7 7.451E-7 0.0000016659999999 0.000003726 0.0000083309999999 0.00001863 0.000041649999999 0.000093139999999 88-44-8 6934 144209452 A A 2-Amino-5-methylbenzenesulfonic acid Nc1ccc(C)cc1S(O)(=O)=O Tox21_202254 -NCGC00259639-01 196722133 tox21-ror-cho-viability-p1 set3 4 21.4035113493 5.782420156 -4.782420156 1 4.9549173134 0.4343050205 0.2419379383 -5.66792301 -8.00720505 -1.23083241 -2.70569026 -6.14134473 -2.11996951 -2.53155511 -2.80882544 -8.98535013 -4.4177127 -8.57613034 -6.86900929 -3.06006217 1.01934824 1.03383917 1.167E-9 2.609E-9 5.835E-9 1.305E-8 2.917E-8 6.524E-8 1.459E-7 3.262E-7 7.294E-7 0.000001631 0.0000036469999999 0.0000081549999999 0.00001823 0.00004077 0.00009117 470-82-6 2758 144209288 A F 1,8-Cineol CC2(C)OC1(C)CCC2CC1 Tox21_202090 -NCGC00259637-01 196708894 tox21-ror-cho-viability-p1 set2 4 0.67105419 0.27612927 2.94108972 0.61033126 0.87166982 0.00340315 2.7444565 -0.0316697 -0.01302267 2.46506565 2.50268022 4.52208321 8.50070655 7.2870078 6.25823617 1.188E-9 2.656E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.641E-8 1.4849999999E-7 3.321E-7 7.425E-7 0.0000016599999999 0.000003712 0.0000083009999999 0.00001856 0.000041509999999 0.00009281 124-09-4 16402 144209286 A F 1,6-Hexanediamine NCCCCCCN Tox21_202088 -NCGC00259677-01 196708493 tox21-ror-cho-viability-p1 set2 -2.2 61.25491928 -65.5711426998 2.106305515 -63.4648371848 3.5722481694 0.9705563088 4.368E-7 0.32798507 6.76416456 0.80293499 1.40575618 -0.06475208 -1.13892174 -0.56013502 0.83795457 4.94843719 5.25288199 0.70726037 5.31954836 1.69534799 -11.31516805 -51.10972514 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.61E-8 1.4779999999E-7 3.305E-7 7.3899999999E-7 0.0000016529999999 0.0000036949999999 0.000008263 0.00001848 0.00004131 0.000092379999999 6807-17-6 81259 144209326 A A 4,4'-(4-Methylpentane-2,2-diyl)diphenol Oc1ccc(cc1)C(C)(CC(C)C)c2ccc(O)cc2 Tox21_202128 -NCGC00257333-01 196726801 tox21-ror-cho-viability-p1 set3 4 0.57801973 -0.39589334 0.43991884 5.55627306 0.03038334 4.39577945 6.391305 -0.28664946 0.83567367 6.47121711 -10.87372401 4.52208186 -0.1711538 7.39806027 -1.56806001 1.8069999999E-9 4.04E-9 9.0329999999E-9 2.02E-8 4.5159999999E-8 1.01E-7 2.258E-7 5.049E-7 0.000001129 0.000002525 0.0000056449999999 0.00001262 0.00002823 0.000063119999999 0.0001411 9004-96-0 5364420 144213785 F A Polyoxyethylene monoleate O=C(CCCCCCC/C=C\CCCCCCCC)OCCO Tox21_303475 -NCGC00257406-01 196726794 tox21-ror-cho-viability-p1 set3 -2.1 19.8722916847 -77.4071558624 1.1164075569 -76.2907483055 2.3031167061 0.9806113915 3.97E-8 1.7052928 -0.33645784 1.49020607 -1.09940925 0.67089328 -1.330652 2.64078711 -1.0580594 0.27956577 0.92255937 -0.06488 1.13301988 -37.72845807 -56.45966741 -76.19513732 1.097E-9 2.4529999999E-9 5.486E-9 1.2269999999E-8 2.7429999999E-8 6.133E-8 1.371E-7 3.0669999999E-7 6.857E-7 0.0000015329999999 0.0000034289999999 0.000007667 0.00001714 0.000038329999999 0.000085709999999 1062243-51-9 25015677 144213826 A A PharmaGSID_48511 CN5CCC(NC(=O)c4ccc(Nc1nc2N(CC(F)(F)C(=O)N(C)c2cn1)C3CCCC3)c(OC)c4)CC5 Tox21_303518 -NCGC00090827-04 196726795 tox21-ror-cho-viability-p1 set3 4 2.996264 3.7965905 0.83164462 2.08986034 -0.99459492 0.82133974 3.62720522 -3.13240626 -1.82492136 1.49013088 2.90814048 -5.06215403 -1.43540384 0.12275931 2.06698483 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00256393-01 196726796 tox21-ror-cho-viability-p1 set3 4 -1.1901266 1.13993744 -1.86453127 1.12605269 0.61959454 2.69050617 -1.96304027 0.96479958 0.9307056 0.25729368 -14.17651855 -1.74281502 -1.4452195 0.75895478 -0.55078708 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 4998-76-9 2723770 144213077 A B Cyclohexylamine hydrochloride Cl.NC1CCCCC1 Tox21_302760 -NCGC00256645-01 196727198 tox21-ror-cho-viability-p1 set3 4 -5.27488985 2.3273463 0.80164736 0.30727903 -2.54135414 -0.31316518 0 -3.4286065 0 0 0 -2.44134328 2.2532173 1.34333025 -2.13915304 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 21948-70-9 519907 144212851 A F Pyrazinyl methyl sulfide CSc1cnccn1 Tox21_302534 -NCGC00257185-01 196727200 tox21-ror-cho-viability-p1 set3 4 -2.56110681 2.56768276 2.43597647 0.56364059 -0.34510636 2.08274703 2.81436539 2.23479607 3.03109924 5.65446359 5.88183626 3.15572547 1.24337642 3.86731947 4.05096909 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1459-93-4 15088 144213526 A A Dimethyl isophthalate COC(=O)c1cccc(c1)C(=O)OC Tox21_303209 -NCGC00256898-01 196727201 tox21-ror-cho-viability-p1 set3 4 5.75040437 0.19974057 -0.16635415 -1.94051834 -0.24851233 0.17749714 -9.13894627 2.58871615 0.45513905 -1.85692906 -1.90312389 0.29868512 0.61700725 1.88290573 1.78827283 2.359E-9 5.276E-9 1.18E-8 2.638E-8 5.8979999999E-8 1.3189999999E-7 2.949E-7 6.595E-7 0.000001475 0.000003297 0.0000073729999999 0.000016489999999 0.00003687 0.00008243 0.0001843 67952-65-2 528143 144212908 I Fns (Methylthio)methylpyrazine Cc1cnc(SC)cn1 Tox21_302591 -NCGC00091253-05 196727213 tox21-ror-cho-viability-p1 set3 4 0.0297055371 5.4436710079 -0.4436710079 5 2.2526478767 0.4405888537 0.2352914524 -1.61972584 1.08821812 0.75897997 0.00056625 0.84874464 6.25024316 5.8404526 7.57121801 5.96594942 7.04920037 5.00809716 0.30548329 -1.09024507 6.26240278 8.94884614 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.000001608 0.000003595 0.000008038 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00260221-01 196724783 tox21-ror-cho-viability-p1 set3 4 2.70494981 10.29775978 -0.27314229 2.33475906 -0.44125828 -0.36971176 -0.75912651 2.70617898 1.94566591 0.67356799 3.23117579 0.74766902 -1.45402731 -1.51934926 6.98322856 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.971E-8 6.6439999999E-8 1.486E-7 3.3219999999E-7 7.428E-7 0.0000016609999999 0.000003714 0.000008305 0.00001857 0.00004152 0.00009285 NOCAS_49387 44373822 144209871 F 1-Methyl-1-propylpiperidinium trifluoromethanesulfonate O/C(=N/C(CCCCCCCCCCCCCC)CO)CCCCCCCCCCCCCC Tox21_202673 -NCGC00260304-01 196724372 tox21-ror-cho-viability-p1 set3 4 0.1088244215 -5.074318452 2.5 -2.574318452 4.9549173134 0.515193383 0.1841011034 -0.269674 3.0180831 3.5961389 0.74808344 6.13146958 0.78966788 0.50865972 4.23449394 2.37662646 2.16614863 -5.47859871 -1.81804033 -4.22173804 1.15906279 6.37670311 6.034E-11 1.349E-10 3.017E-10 6.747E-10 1.5089999999E-9 3.373E-9 7.543E-9 1.6869999999E-8 3.771E-8 8.433E-8 1.8859999999E-7 4.217E-7 9.4289999999E-7 0.000002108 0.000004714 24634-61-5 23676745 144209955 A Fc Potassium sorbate [K+].[O-]C(=O)\C=C\C=C\C Tox21_202757 -NCGC00260439-01 196724777 tox21-ror-cho-viability-p1 set3 4 0.0074871285 15.29999324 -6.29999324 9 0.4 0.8089072723 0.0066489455 -3.5833277 -0.92054984 0.07688005 1.05807585 5.35236214 0.91145316 4.30222608 8.2329558 4.33535926 7.01527393 8.57289885 9.19187834 5.81279425 6.82586817 11.56818404 5.892E-10 1.317E-9 2.9459999999E-9 6.587E-9 1.4729999999E-8 3.293E-8 7.3639999999E-8 1.647E-7 3.682E-7 8.234E-7 0.0000018409999999 0.000004117 0.000009206 0.000020579999999 0.00004603 127-85-5 23670523 144210091 F Ac Sodium arsanilate [Na+].O=[As]([O-])(O)c1ccc(N)cc1 Tox21_202893 -NCGC00260081-01 196724781 tox21-ror-cho-viability-p1 set3 4 -0.99060991 -0.87409421 1.02546102 3.74150391 4.19741332 5.80793602 8.30555836 8.92371669 0.54040383 6.75069294 6.72151312 8.44239567 6.03597454 5.23927982 8.62028149 1.187E-9 2.6549999999E-9 5.937E-9 1.3279999999E-8 2.968E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.421E-7 0.000001659 0.0000037109999999 0.000008297 0.00001855 0.00004149 0.00009276 13889-92-4 26323 144209730 F F S-(Propyl) chlorothioformate ClC(=O)SCCC Tox21_202532 -NCGC00260261-01 196724793 tox21-ror-cho-viability-p1 set3 4 0.3807884379 9.891538064 0.608461936 10.5 2.3331733767 0.4457998148 0.2451182813 -5.32628172 1.29796257 1.40339852 3.39221575 2.09890223 2.57007897 1.57811243 1.46258628 15.38250718 15.35625504 14.59682145 17.43520557 3.04499768 -0.47195677 4.99984943 1.2849999999E-9 2.872E-9 6.423E-9 1.436E-8 3.212E-8 7.1809999999E-8 1.606E-7 3.591E-7 8.0289999999E-7 0.0000017949999999 0.000004014 0.000008976 0.00002007 0.00004488 0.0001004 100-11-8 66011 144209911 F A 4-Nitrobenzylbromide O=[N+]([O-])c1ccc(CBr)cc1 Tox21_202713 -NCGC00015716-09 196704987 tox21-ror-cho-viability-p1 set1 4 -4.01503004 0.99686359 1.76296139 -4.16157683 0.69183005 -0.41111416 -0.9647663 0.53001168 -0.90872198 -0.67350226 1.04205349 -3.57666903 0.98295615 -0.51589056 -1.08701499 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 447-41-6 4567 170465637 A Nylidrin OC(c1ccc(O)cc1)C(C)NC(C)CCc2ccccc2 Tox21_110204_1 -NCGC00164588-02 196705385 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -23.729811212 2.5 -21.229811212 4.5044702849 0.5656613346 0.1229271666 0.49566761 0.23282384 -0.50856936 0.99519835 2.04865375 4.25590373 1.11611157 0.78576587 0.31737755 0.24793622 2.53255226 17.3057647 0.14010592 0.02218373 -16.85817601 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59937-28-9 4006 170465879 Ac Malotilate CC(C)OC(=O)C(/C(=O)OC(C)C)=C1/SC=CS1 Tox21_112214_1 -NCGC00018102-12 196705399 tox21-ror-cho-viability-p1 set1 -2.4 33.4914596268 -27.465690544 -0.5 -27.965690544 4.9549173134 0.9546885188 0.0000049412 0.57305715 -1.46324278 0.09644806 1.42485225 -1.27136837 0.22271251 -2.47228332 -1.08796299 -0.97611486 -1.31845028 -1.6689824 1.22140532 -2.94168293 -2.8068369 -23.30474212 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52468-60-7 941361 170466037 A Flunarizine Fc1ccc(cc1)C(c2ccc(F)cc2)N3CCN(CC3)C/C=C/c4ccccc4 Tox21_110825_1 -NCGC00027930-07 196705400 tox21-ror-cho-viability-p1 set1 4 0.48450653 -2.33699944 -3.04368457 1.657305 2.49151645 -10.89440751 1.13569142 0.14722495 0.30312538 0.96381845 5.56511975 0.97557715 1.2787397 1.1609983 3.94219874 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71320-77-9 4235 170465663 A Moclobemide Clc1ccc(cc1)C(=O)NCCN2CCOCC2 Tox21_110971_1 -NCGC00090780-04 196705804 tox21-ror-cho-viability-p1 set1 4 0.685896219 5.118156348 0.381843652 5.5 4.4494702849 0.605351838 0.1086941036 -0.42405629 2.14659634 1.17536514 1.13589443 0.1042993 -0.10780358 -0.51513029 0.17662791 2.82697374 10.21030685 0.79983816 5.08757675 5.40930887 6.55941852 -0.04276503 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00259873-01 196706211 tox21-ror-cho-viability-p1 set1 -2.1 61.4415298105 -87.9567354316 0.5803841209 -87.3763513107 3.2474983358 0.928599418 0.0000569989 3.58996346 -0.83424524 1.83554522 0.89733288 5.3504381 2.07731701 3.1188507 4.72621111 -16.23210401 -0.17405226 2.06339609 2.59342607 -3.62316552 -18.51705515 -68.84572069 1.185E-9 2.6499999999E-9 5.9249999999E-9 1.325E-8 2.962E-8 6.6239999999E-8 1.481E-7 3.312E-7 7.406E-7 0.000001656 0.0000037029999999 0.0000082799999999 0.00001852 0.0000414 0.00009258 27193-28-8 62530 144209522 A A (1,1,3,3-Tetramethylbutyl)phenol Oc1ccccc1C(C)(C)CC(C)(C)C Tox21_202324 -NCGC00259581-01 196706212 tox21-ror-cho-viability-p1 set1 4 1.76967968 1.11501657 1.67866545 2.04026031 -4.07178981 2.61267719 0.76856665 2.47213758 -10.93625027 6.37355197 2.84873769 0.09537792 1.47926322 1.70453854 -0.2560211 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004127 0.00009229 77-78-1 6497 144209230 D Dimethyl sulfate O=S(=O)(OC)OC Tox21_202032 -NCGC00091902-08 196706230 tox21-ror-cho-viability-p1 set1 4 0.0216899429 5.860118384 -6.360118384 -0.5 4.9549173134 0.4671985789 0.209597712 -8.35974284 0.41708211 -8.09211937 -10.71676532 1.34533029 -5.642729 0.40753868 1.69163531 -1.1474981 -1.02303771 -1.24791528 1.95988602 -0.33432481 -0.40261317 0.79887961 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00259727-01 196706626 tox21-ror-cho-viability-p1 set1 4 0.0243612673 9.62614426 -9.62614426 0 4.9549173134 0.5046454773 0.1744562131 -0.02889284 -12.24696252 -11.26404971 -14.68845355 -1.19814564 -2.25472229 4.44534547 4.00431021 -0.90494498 0 -4.87067809 -6.03691923 3.74724489 0.04359364 2.09559331 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.0000036909999999 0.000008252 0.000018449999999 0.000041259999999 0.00009226 10030-73-6 5282745 144209376 A A (E)-Hexadec-9-enoic acid O=C(O)CCCCCCC\C=C\CCCCCC Tox21_202178 -NCGC00357125-01 196702919 tox21-ror-cho-viability-p1 set1 4 -2.21035096 -0.89889246 -0.77920114 4.21451136 -2.10759629 2.78749069 -0.51674966 1.22131469 3.33078071 -0.7165349 2.84752103 2.55132526 0.80430987 -0.42536998 3.29597762 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-31-9 8106 251919852 F 1-Hexanethiol CCCCCCS Tox21_303860 -NCGC00258457-01 196702512 tox21-ror-cho-viability-p1 set1 4 -0.27876629 -12.63089411 -1.49070673 -4.31894402 -0.62658919 -4.32023205 -1.51945903 -0.53937174 -3.02803771 -1.09243796 -0.37332037 -2.47831932 -7.36006524 1.69992131 -5.05840015 1.2229999999E-9 2.7349999999E-9 6.115E-9 1.367E-8 3.058E-8 6.837E-8 1.529E-7 3.4189999999E-7 7.6439999999E-7 0.000001709 0.000003822 0.000008547 0.000019109999999 0.000042729999999 0.000095549999999 103-50-4 7657 144208101 FNS Dibenzyl ether C(OCc1ccccc1)c2ccccc2 Tox21_200903 -NCGC00258710-01 196702517 tox21-ror-cho-viability-p1 set1 -1.2 0.4826160005 -32.7589796113 2.5 -30.2589796113 1.55794881 0.9471031208 0.0000114346 3.18331284 0.47341898 2.6050305 2.27664566 3.74260225 1.50040742 -0.325181 -14.52881824 -12.70854943 -30.08514683 -28.39214959 -29.57166901 -34.56762707 -33.19829565 -23.01415288 1.1739999999E-9 2.626E-9 5.871E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.282E-7 7.339E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.000091739999999 66-81-9 6197 144208356 A A Cycloheximide O=C2CC(C[C@@H](O)[C@@H]1C[C@@H](C)C[C@H](C)C1=O)CC(=O)N2 Tox21_201158 -NCGC00260113-01 196724180 tox21-ror-cho-viability-p1 set3 4 0.0030513272 8.8653829559 -7.3653829559 1.5 2.3331733767 0.6778558756 0.0499462095 -6.13781913 -4.43465354 1.57107241 -0.91702445 3.23574953 0.7978998 4.44842705 2.34273546 0.45823526 1.30785027 -0.68899864 0.31760349 -0.21623682 2.63295518 3.75423251 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.9409999999E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.0000411 0.00009189 5039-78-1 78738 144209762 Fns (2-(Methacryloyloxy)ethyl)trimethylammonium chloride [Cl-].C[N+](C)(C)CCOC(=O)C(=C)C Tox21_202564 -NCGC00260302-01 196723764 tox21-ror-cho-viability-p1 set3 4 -6.9235611 0.31144326 0.83131855 -4.59932168 2.66152889 0.56239059 2.65872949 -7.03686511 1.96747137 -3.54182671 -1.99573487 0.45201715 2.81465689 1.22659965 5.93759056 2.923E-10 6.537E-10 1.462E-9 3.268E-9 7.308E-9 1.634E-8 3.654E-8 8.171E-8 1.827E-7 4.086E-7 9.1349999999E-7 0.000002043 0.0000045679999999 0.00001021 0.000022839999999 10595-72-9 82751 144209953 Fns Di(tridecyl) thiodipropionate O=C(OCCCCCCCCCCCCC)CCSCCC(=O)OCCCCCCCCCCCCC Tox21_202755 -NCGC00357210-01 196723774 tox21-ror-cho-viability-p1 set3 4 0.0153553036 5.892927632 -4.392927632 1.5 4.9549173134 0.4742924442 0.2035335056 -5.74410636 -4.36333779 -3.11744377 -3.99175217 8.58782191 0.33865117 -0.97177751 1.74897258 -0.22879401 0.31713276 0.30935148 5.60168584 0.62426051 -0.84315134 -0.52203076 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13183-79-4 2723772 251919862 B 1-N-Methyl-5-thiotetrazole S=C1N=NNN1C Tox21_303990 -NCGC00163930-04 196724174 tox21-ror-cho-viability-p1 set3 4 -1.18895731 7.69693663 -12.7078961 0.18418642 -3.27836357 -1.43323228 -0.01796245 -0.29746714 2.24089056 2.08579501 -0.22186664 -0.67388252 0.45454953 -2.90669536 -2.06840577 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00356943-01 196724184 tox21-ror-cho-viability-p1 set3 4 0.0769588215 8.121132032 -7.121132032 1 4.4494702849 0.603165497 0.0950623838 -8.85094336 -6.68809406 -6.08525205 -6.35584907 -7.95756608 -5.15581328 2.15527354 5.01982027 4.07697035 2.51457062 3.21083299 -8.04010583 -3.05120241 0.78324924 0.57074642 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90982-32-4 56160 251919671 Ac Chlorimuron-ethyl O=C(Nc1nc(cc(Cl)n1)OC)NS(=O)(=O)c2ccccc2C(=O)OCC Tox21_303806 -NCGC00357275-01 196724190 tox21-ror-cho-viability-p1 set3 -1.1 3.8570778872 -95.4249218154 3.4044986764 -92.020423139 1.0999999999 0.9802866445 4.37E-8 -4.05108994 0.67148495 2.94251308 -0.57601958 7.17667183 2.87420049 3.44805966 2.34129901 -5.91720423 -22.37280908 -51.51856243 -54.15364296 -83.22518879 -82.56743171 -84.73335464 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 130-15-4 8530 251919753 Bc 1,4-Naphthoquinone O=C2C=CC(=O)c1ccccc12 Tox21_303967 -NCGC00260235-01 196724193 tox21-ror-cho-viability-p1 set3 4 0.0864370382 -14.8380357239 -2.716228068 -17.5542637919 3.9294729863 0.8713932974 0.0018047156 -2.90279997 -3.38287407 -2.47052092 -2.26352339 -3.13813288 -4.12293235 -19.82169719 -16.14868063 -22.12855316 -17.79853745 -12.24123812 -19.69430802 -18.4086845 -12.67924537 -1.0956694 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.00009229 401788-99-6 11254899 144209885 FNS 1-Butyl-4-methylpyridinium hexafluorophosphate Cc1cc[n+](CCCC)cc1.F[P-](F)(F)(F)(F)F Tox21_202687 -NCGC00344543-01 196698022 tox21-ror-cho-viability-p1 set1 -1.1 5.3080386368 -91.4873821997 0.9140833409 -90.5732988588 1.4787409999 0.9967911848 0 0.67211683 -0.07388968 1.99500098 0.44290254 0.81188046 1.43969106 -0.78993245 -0.76987024 0.29718923 -6.29194037 -16.26989259 -32.69251812 -62.00077786 -82.63525905 -83.86416561 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72496-41-4 11296583 170465822 Cc Pirarubicin OCC(=O)[C@]4(O)Cc3c(c(O)c2C(=O)c1c(OC)cccc1C(=O)c2c3O)[C@H](C4)O[C@H]6C[C@H](N)[C@H](O[C@@H]5CCCCO5)[C@H](C)O6 Tox21_112602_1 -NCGC00016759-04 196722962 tox21-ror-cho-viability-p1 set3 4 0.0105909295 16.3807595319 -7.8807595319 8.5 4.9549173134 0.7815513843 0.0114466551 -5.5154306 -7.76754753 -7.85104674 -10.31729961 9.56467422 0.78626782 6.88106768 4.90658131 6.75790453 8.94944291 10.16749799 6.19265207 9.07396025 9.66118528 17.74037973 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26159-34-2 23681059 170465301 A Naproxen sodium [Na+].[O-]C(=O)[C@@H](C)c1ccc2cc(ccc2c1)OC Tox21_110774_1 -NCGC00091666-04 196722551 tox21-ror-cho-viability-p1 set3 4 59.5571730664 31.8990271521 0.1009728479 32 0.5 0.5286885119 0.1533302649 0.4689346 -1.18844032 -0.00752017 2.23836485 -1.33896321 1.57258598 2.5351758 -1.36513491 -2.41585596 9.29002932 8.21564448 9.90832863 6.50471883 0.70227603 23.78488001 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 470-82-6 2758 170465483 F 1,8-Cineol CC2(C)OC1(C)CCC2CC1 Tox21_111161_1 -NCGC00163774-04 196722957 tox21-ror-cho-viability-p1 set3 4 0.56766946 -0.24271507 1.67147403 -1.81069641 0.0423283 -0.52574819 -5.08745636 -4.9562317 0.13584393 5.08125977 8.4206539 2.94483102 -1.36547894 -3.78333406 4.98973206 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00090910-03 196722960 tox21-ror-cho-viability-p1 set3 4 9.0492685205 -9.727006132 3 -6.727006132 4.9549173134 0.4045164505 0.2676709466 1.72654016 2.68265058 4.08823543 6.14206444 3.271513 -1.5676952 -6.33147008 -0.17194267 12.20181362 0.12150173 10.65413609 -0.9020355 -11.02250511 -3.88994473 -4.80888174 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00254351-01 196714651 tox21-ror-cho-viability-p1 set2 4 0.55465071 -2.64380942 -1.79257297 -0.73466304 -5.3534655 -5.34234701 -10.74981808 -3.98726274 -2.00107463 -0.06100469 -7.18750276 -2.04525343 -1.54389919 -2.13560353 -1.50212242 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 166412-78-8 11524680 144210955 I Fns Diisononyl cyclohexane-1,2-dicarboxylate CC(C)CCCCCCOC(=O)C1CCCCC1C(=O)OCCCCCCC(C)C Tox21_300638 -NCGC00253669-01 196713827 tox21-ror-cho-viability-p1 set2 4 1.91304388 3.74203503 -1.11535705 -0.46889971 0.61395965 1.64741851 1.94249695 -0.95874577 1.7101502 -0.77670712 -2.32450639 2.7200911 -1.42789114 2.10449361 2.899295 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 29976-53-2 34767 170466703 F A Ethyl 4-oxo-1-piperidinecarboxylate O=C(OCC)N1CCC(=O)CC1 Tox21_113793 -NCGC00255076-01 196714237 tox21-ror-cho-viability-p1 set2 4 1.00204062 -4.35125198 -0.98519067 0.68078402 -1.42214445 -1.86592119 1.40870691 -1.14149394 -1.24030233 -2.27578434 0.66301761 0.67070284 1.09813086 0.81735524 -0.05280311 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-40-5 6808 144211495 A A 1,2,3,6-Tetrahydrophthalimide O=C1NC(=O)C2CC=CCC12 Tox21_301178 -NCGC00254341-01 196714240 tox21-ror-cho-viability-p1 set2 4 0.26292684 -9.1849677 -0.1142199 -5.17792452 -6.24683605 -4.67713279 -8.15833028 -6.97637111 -6.72776387 -10.14906778 -2.8000323 -8.86469096 -7.77838122 -5.11278079 -4.11310905 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 215297-27-1 9959619 144210771 A A UK-343664 O=S(=O)(c4cc(C3=Nc2c(CC)n(Cc1ccccn1)nc2C(=O)N3)c(OCCC)cc4)N5CCN(CC)CC5 Tox21_300453 -NCGC00254079-01 196715051 tox21-ror-cho-viability-p1 set2 4 -0.82538935 1.06313394 -0.42386048 1.11112057 1.23826598 2.00413486 1.29985863 1.82068789 0.82789417 2.04142762 -1.0745117 4.55268295 4.85742479 1.93946094 2.27535546 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 83-32-9 6734 144210333 A A Acenaphthene c1cc2cccc3CCc(c1)c23 Tox21_300013 -NCGC00254148-01 196715054 tox21-ror-cho-viability-p1 set2 4 1.0514865 1.05272774 8.05402653 0.97206385 0.79396787 0.18778155 -0.97208617 2.1849026 -1.1665574 -0.20255788 2.214617 7.36908405 7.63182863 8.75172974 1.09128698 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-67-6 7714 144210383 A A 5-Heptyldihydro-2(3H)-furanone O=C1CCC(CCCCCCC)O1 Tox21_300063 -NCGC00254743-01 196715057 tox21-ror-cho-viability-p1 set2 4 2.22268232 1.8028878 0.90555477 -1.08265583 0.39663686 2.90440374 1.68820731 2.0152216 2.02408813 0.08301359 0.59398901 4.33598687 4.82951307 2.4111411 4.85946352 5.869E-10 1.312E-9 2.935E-9 6.5619999999E-9 1.467E-8 3.281E-8 7.3359999999E-8 1.64E-7 3.668E-7 8.202E-7 0.000001834 0.000004101 0.0000091709999999 0.00002051 0.000045849999999 62-73-7 3039 144211157 CC Dichlorvos COP(=O)(OC)O\C=C(\Cl)Cl Tox21_300840 -NCGC00254574-01 196715060 tox21-ror-cho-viability-p1 set2 4 -2.63878064 -6.07630277 -6.73425016 -7.37159098 -3.55083531 -11.30664268 -4.63079336 -8.47045323 -0.59218747 -6.71517991 -0.52707481 -5.76074185 -5.26176771 -5.77013938 -5.55696894 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 834-12-8 13263 144210983 A A Ametryn CSc1nc(NCC)nc(NC(C)C)n1 Tox21_300666 -NCGC00254820-01 196715064 tox21-ror-cho-viability-p1 set2 4 0.68799211 -0.94779162 0.46644533 -0.97772482 -2.05193395 4.10932626 -0.95962843 0.51665243 -0.75993563 -0.34990346 -0.39573358 4.13188675 5.4012406 4.69084499 3.91474442 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 134-62-3 4284 144211234 A A DEET Cc1cccc(c1)C(=O)N(CC)CC Tox21_300917 -NCGC00254620-01 196715065 tox21-ror-cho-viability-p1 set2 4 0.13710707 -2.35991972 -3.72572039 -5.25761039 -4.70872758 -2.07351017 -4.45610013 -8.88788205 -3.93239124 -9.71611432 -2.70945085 -5.21593711 -0.78364228 -3.81373761 1.380509 1.281E-9 2.863E-9 6.4029999999E-9 1.4319999999E-8 3.2009999999E-8 7.159E-8 1.6009999999E-7 3.579E-7 8.004E-7 0.00000179 0.000004002 0.000008948 0.00002001 0.00004474 0.000099999999999 140-95-4 8827 144211031 CC Dimethylolurea OCNC(=O)NCO Tox21_300714 -NCGC00091483-03 196715067 tox21-ror-cho-viability-p1 set2 4 3.30357013 0.24559846 2.33253365 1.01231657 -1.65760153 2.88510536 -0.11070955 0.52804882 3.73367567 5.19630887 3.23924429 0.61021802 1.31507366 0.88107389 -2.89509246 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00091253-05 196715068 tox21-ror-cho-viability-p1 set2 4 0.91306546 -0.2156969 1.23097599 0.51151516 0.84913198 0.42197526 1.61497035 0.75360642 0.84016397 2.43680136 -0.05031613 1.04430583 4.00802569 2.81161012 1.527523 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00254143-01 196715073 tox21-ror-cho-viability-p1 set2 4 -1.83976591 -0.44342863 -0.7337374 3.42033483 2.96016169 0.99374711 1.34889361 3.80567836 0.86225465 -0.63404902 1.10099625 1.27394993 -1.34111526 2.03361536 -0.6751097 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4098-71-9 169132 144210618 F Isophorone diisocyanate O=C=N\C1CC(C)(C)CC(C)(C1)C\N=C=O Tox21_300298 -NCGC00258514-01 196729210 tox21-ror-cho-viability-p1 set3 -1.2 21.6458352432 -38.1557851312 -4.413507115 -42.5692922462 3.1319983358 0.7555034974 0.0178349858 1.96902532 -5.46537716 -1.35734648 -11.46070069 -2.65630232 -14.35763556 -25.08256719 0 -3.40566409 0 -1.66699596 -3.93282264 -18.87426736 -38.4639498 -42.16604583 1.1779999999E-9 2.633E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.00000368 0.00000823 0.000018399999999 0.00004115 0.00009201 97-24-5 7329 144208159 A A Fenticlor Oc2ccc(Cl)cc2Sc1cc(Cl)ccc1O Tox21_200961 -NCGC00257231-01 196708259 tox21-ror-cho-viability-p1 set1 -2.2 61.130564862 -77.2943087546 -1.626078721 -78.9203874756 2.2481167061 0.9155727546 0.0001363777 0.2495646 -1.34004823 1.13644932 0.87460243 -3.04449438 -3.8237012 -3.27060557 -3.21302986 1.47261488 -0.54363099 -0.24535041 0.97663 -19.53370106 -16.14404396 -59.78817233 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 111-30-8 3485 144213612 F Glutaraldehyde O=CCCCC=O Tox21_303295 -NCGC00258962-01 196708659 tox21-ror-cho-viability-p1 set2 4 -1.70808024 1.92623885 2.48911516 -0.25582431 -0.26709429 2.92804653 1.14488759 0.9503774 1.28472559 -0.74226983 0.07825057 0.53616034 2.58133796 2.77984953 0.92071509 1.154E-9 2.5809999999E-9 5.77E-9 1.29E-8 2.885E-8 6.451E-8 1.443E-7 3.226E-7 7.213E-7 0.0000016129999999 0.000003606 0.000008064 0.00001803 0.00004032 0.000090159999999 95-80-7 7261 144208609 A A 2,4-Diaminotoluene Nc1cc(N)c(C)cc1 Tox21_201411 -NCGC00094532-06 196708254 tox21-ror-cho-viability-p1 set1 4 1.28354003 -2.89646166 1.09432547 -5.09650744 -2.46571204 2.02648008 -1.06876442 -0.29148366 1.54356676 -2.34579835 0.23484079 2.31405384 -5.38735117 4.25573084 4.36100846 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00258826-01 196708655 tox21-ror-cho-viability-p1 set2 4 -0.47071825 -3.74961824 -2.9928846 -5.00499559 -4.96747376 -0.6859829 -4.11305359 -2.54843477 -3.31006478 -3.10593268 -0.63400272 -0.76885042 -2.92756621 -1.33891548 -1.73751408 1.194E-9 2.671E-9 5.972E-9 1.335E-8 2.986E-8 6.677E-8 1.493E-7 3.3389999999E-7 7.465E-7 0.000001669 0.000003733 0.000008347 0.00001866 0.000041729999999 0.00009332 576-26-1 11335 144208472 A A 2,6-Dimethylphenol Cc1cccc(C)c1O Tox21_201274 -NCGC00259211-01 196709075 tox21-ror-cho-viability-p1 set2 4 62.0642463938 -10.134825624 0.5 -9.634825624 4.9549173134 0.7314239255 0.0264029506 -0.87327647 1.1749193 0.3695774 -0.51713002 1.55790359 2.26470379 -2.33993506 0.35556834 0.45915274 1.08988654 -0.70499622 -1.20291592 2.98388364 -0.77251479 -8.44568802 1.195E-9 2.6729999999E-9 5.9769999999E-9 1.336E-8 2.988E-8 6.682E-8 1.494E-7 3.341E-7 7.4709999999E-7 0.000001671 0.000003735 0.000008353 0.000018679999999 0.000041759999999 0.00009339 131-16-8 8559 144208860 A A Dipropyl phthalate O=C(OCCC)c1ccccc1C(=O)OCCC Tox21_201662 -NCGC00259440-01 196709095 tox21-ror-cho-viability-p1 set2 -2.4 68.1713220381 -34.282290744 -0.5 -34.782290744 4.9549173134 0.9649295588 0.0000011804 -0.91241835 1.4170079 -1.01603235 -4.62671425 -1.25103471 -0.0762466 0.36946393 -0.37005713 -0.05418282 0.66048408 -0.86896149 0.97361702 -0.30247744 -2.7843219 -28.56857562 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.00009175 135-88-6 8679 144209089 A A N-Phenyl-2-naphthylamine c1cc3ccccc3cc1Nc2ccccc2 Tox21_201891 -NCGC00259744-01 196709487 tox21-ror-cho-viability-p1 set2 4 0.33855608 -0.88540753 -7.41708173 -6.35420804 -2.44552962 -1.16530016 0.23479519 -1.6956561 -2.77416058 -3.09543176 -0.79417686 -2.53790047 -0.16807096 -3.66821348 -3.36859567 1.194E-9 2.67E-9 5.9699999999E-9 1.335E-8 2.985E-8 6.675E-8 1.493E-7 3.337E-7 7.463E-7 0.000001669 0.0000037309999999 0.0000083439999999 0.00001866 0.00004172 0.00009329 139-13-9 8758 144209393 A A Nitrilotriacetic acid OC(=O)CN(CC(=O)O)CC(=O)O Tox21_202195 -NCGC00259010-01 196709486 tox21-ror-cho-viability-p1 set2 -2.1 24.3860225971 -96.5301812334 0.5743217579 -95.9558594755 1.752947691 0.9985759137 0 1.49614811 1.00245986 2.34024304 1.070252 0.55476918 0.02386573 -0.84712847 0.44254208 -1.05714152 -0.92800115 -0.74050217 -13.21928552 -36.84711047 -68.85899837 -86.91653938 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.303E-7 7.387E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 26530-20-1 33528 144208657 A A Octhilinone O=C1C=CSN1CCCCCCCC Tox21_201459 -NCGC00259581-01 196709491 tox21-ror-cho-viability-p1 set2 4 -0.64661785 1.17162211 5.84165563 0.06829102 -0.79636308 -0.98577304 0.50564357 -0.59123276 -0.54550234 -0.38327692 -1.08825343 -0.06559489 3.1973961 -1.13931744 0.70003769 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004127 0.00009229 77-78-1 6497 144209230 D Dimethyl sulfate O=S(=O)(OC)OC Tox21_202032 -NCGC00259822-01 196709493 tox21-ror-cho-viability-p1 set2 4 1.77775313 -0.32321294 1.80190553 -0.8477884 1.83568623 1.06670184 0.01233536 -1.20106232 3.37539342 0.33304072 -1.72285245 -1.16720187 -1.25002726 0.02297751 2.88989401 1.175E-9 2.6269999999E-9 5.873E-9 1.3129999999E-8 2.9369999999E-8 6.566E-8 1.468E-7 3.2829999999E-7 7.3419999999E-7 0.000001642 0.0000036709999999 0.000008208 0.00001835 0.00004104 0.00009177 298-46-4 2554 144209471 A A Carbamazepine NC(=O)N2c3ccccc3C=Cc1ccccc12 Tox21_202273 -NCGC00259404-01 196709495 tox21-ror-cho-viability-p1 set2 4 6.11136569 -1.16644048 0.06652368 -3.15057717 0.95752464 5.0784724 -8.34574346 1.8723524 1.69563536 2.38489246 4.27298549 -1.99291207 -6.62689412 1.21872042 0.51272437 1.164E-9 2.602E-9 5.819E-9 1.301E-8 2.91E-8 6.506E-8 1.4549999999E-7 3.253E-7 7.274E-7 0.0000016269999999 0.0000036369999999 0.0000081329999999 0.00001819 0.000040659999999 0.00009093 606-20-2 11813 144209053 A A 2,6-Dinitrotoluene Cc1c(cccc1[N+](=O)[O-])[N+]([O-])=O Tox21_201855 -NCGC00091253-05 196709497 tox21-ror-cho-viability-p1 set2 4 3.84235215 -2.27703335 1.88371005 2.34907151 0.99280277 0.90995117 2.40446843 2.3011787 1.91472301 -2.02773546 -0.39501357 -0.13738158 2.55069968 1.87693494 2.39037982 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00091278-03 196709498 tox21-ror-cho-viability-p1 set2 4 1.43251999 1.94027745 2.64430999 2.51519414 0.89677362 -1.29290445 1.12947251 0.90597769 -1.13402911 -0.04272226 -0.00448877 1.40644691 0.43929222 0.62735158 -2.05869734 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00257070-01 196726947 tox21-ror-cho-viability-p1 set3 4 1.19994064 0.14682074 -0.14192037 0.83860024 0.77936961 -0.69224397 1.49380302 -0.33296522 -0.0910987 4.20968151 1.62357972 0.11477289 -0.18991651 2.48913744 -0.74094252 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 95-16-9 7222 144213549 A F Benzothiazole c1cccc2scnc12 Tox21_303232 -NCGC00257286-01 196726524 tox21-ror-cho-viability-p1 set3 4 -0.73614645 1.1340453 0.65536906 0.58914956 -2.39745205 0.33839487 -0.03112832 -26.66558044 -25.28241893 -29.59568834 -1.32966908 -2.3275634 0.7316942 -1.44727671 8.36744474 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 938-16-9 70308 144213869 A F tert-Butyl phenyl ketone O=C(c1ccccc1)C(C)(C)C Tox21_303564 -NCGC00256412-01 196726538 tox21-ror-cho-viability-p1 set3 4 1.7228934059 -7.4750208759 1.5 -5.9750208759 4.9549173134 0.5125961117 0.1678673345 0.57895226 -2.04629607 0.52404331 0.79231775 1.03316049 -0.14542206 5.43634439 0.55537852 4.12002468 -0.71061984 -15.39585073 -1.97343831 -2.95864092 -3.8751974 -7.05455145 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 53-43-0 5881 144213078 A A Dehydroepiandrosterone O=C4CC[C@@H]3[C@]4(C)CC[C@H]2[C@H]3CC=C1C[C@@H](O)CC[C@@]12C Tox21_302761 -NCGC00256386-01 196726945 tox21-ror-cho-viability-p1 set3 4 -5.08565352 -6.69672027 -5.10626158 2.11888753 -1.27722585 0 -12.18573163 0 0 0 -1.53249319 2.83583733 -1.08470286 -7.82797018 -11.11299209 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 82-28-0 6702 144213281 A A 1-Amino-2-methylanthraquinone O=C3c1ccccc1C(=O)c2c3ccc(C)c2N Tox21_302964 -NCGC00256742-01 196726954 tox21-ror-cho-viability-p1 set3 4 3.25499476 0.04557111 0.26831182 -0.05014387 0.36564297 -0.1724583 4.71432927 6.58040269 1.72720387 2.92372008 7.13159375 0.28658521 -0.62622589 -0.41114474 3.87292782 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47726 16666638 144212856 A A trans-2-Ethoxy-5-(1-propenyl)phenol CCOc1ccc(cc1O)/C=C\C Tox21_302539 -NCGC00256879-01 196726957 tox21-ror-cho-viability-p1 set3 4 2.3557728 1.15463549 0.47763567 0.09389264 1.53965945 0.92687738 -0.97132436 1.1686894 3.60743956 -1.31094309 1.02454251 4.55688149 0.62065394 3.66810255 1.692244 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 68515-75-3 14306122 144212922 Z F Hexanedioic acid, di-C7-9-branched and linear alkyl esters O=C(OCCCCCCC)CCCCC(=O)OCCCCCCCCC Tox21_302605 -NCGC00257269-01 196727363 tox21-ror-cho-viability-p1 set3 -2.4 61.130564862 -33.377823968 -0.5 -33.877823968 1.98874246 0.8945952677 0.0004205618 1.5012873 -2.05717433 1.5097394 -0.95767041 1.98266893 0.37032806 1.24532705 0.33589097 -1.36066466 0 -6.59813463 0.28892229 -5.62614457 -9.03157782 -24.89818664 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6807-17-6 81259 144213913 A A 4,4'-(4-Methylpentane-2,2-diyl)diphenol Oc1ccc(cc1)C(C)(CC(C)C)c2ccc(O)cc2 Tox21_303608 -NCGC00256607-01 196727367 tox21-ror-cho-viability-p1 set3 4 7.6378292 -2.45394978 0.77580339 1.58018545 -0.85151022 1.30635119 5.0621545 -0.75208789 2.52982128 2.71475583 1.14446718 -1.19700023 2.95990447 1.75672111 3.74395086 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 106-93-4 7839 144213196 FC 1,2-Dibromoethane BrCCBr Tox21_302879 -NCGC00256570-01 196727370 tox21-ror-cho-viability-p1 set3 4 61.130564862 -19.940891232 1 -18.940891232 1.0999999999 0.694025406 0.0411775532 -0.8015447 0.26787301 0.17310356 3.0624057 0.64500935 0.99797007 0.37900767 2.81327746 -0.18637805 1.21596573 -1.08064989 0.01955813 -8.08417917 -0.9780179 -14.11740936 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 602-87-9 11769 144213194 A A 5-Nitroacenaphthene [O-][N+](=O)c1ccc2CCc3cccc1c23 Tox21_302877 -NCGC00257443-01 196727374 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -46.1088218116 -1.9477734409 -48.0565952525 4.5044702849 0.7473145649 0.020261803 8.9186246 -0.05293722 -2.78883816 -2.63378318 -0.36015618 -2.5819936 -6.32381221 -5.33831322 -7.97000154 -6.71589098 -5.77891979 11.0754773 -6.12174118 -6.15390937 -38.40225711 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-45-6 7811 144213919 F A 4-Thiocresol Cc1ccc(S)cc1 Tox21_303614 -NCGC00169145-02 196726180 tox21-ror-cho-viability-p1 set3 4 0.0066824247 10.7616646319 -3.2616646319 7.5 4.9549173134 0.6277485629 0.0781095667 -2.81282499 -2.68723897 -3.96805386 0.99045126 14.14224147 7.84880091 13.08809848 7.47069516 5.65305417 1.59944038 10.04401796 9.85386798 1.28496912 7.90357272 5.67093815 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10338-51-9 159278 170465472 A Salidroside Oc2ccc(CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)cc2 Tox21_113565_1 -NCGC00163774-04 196725367 tox21-ror-cho-viability-p1 set3 4 0.78826729 4.62492332 0.51154204 -0.73827907 -1.88306534 3.14663468 0.84494952 4.47413536 6.50900128 -1.24102295 -0.44684964 -1.62578827 0.02244966 -0.36401632 1.69959175 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00244580-01 196725777 tox21-ror-cho-viability-p1 set3 -2.4 0.1535530364 -29.837658008 18 -11.837658008 0.2 0.8168138031 0.0055099952 13.20501961 6.32774721 6.99894602 8.10417172 4.91441456 4.80518 -1.10812775 4.6633739 0.37676573 -2.96183718 2.13828196 0.21029887 -4.08112827 -4.24875237 -8.19804834 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00254777-01 196714996 tox21-ror-cho-viability-p1 set2 4 0.6301866 0.17919524 0.03026787 2.33323298 0.45787713 3.37360775 3.95197517 2.60738425 -0.40968694 0.50974649 2.18324355 6.85733226 5.30982633 2.79564555 3.86416651 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-70-0 7884 144211190 AC Bc 4-Methoxy-4-methyl-2-pentanone CC(=O)CC(C)(C)OC Tox21_300873 -NCGC00254361-01 196714156 tox21-ror-cho-viability-p1 set2 4 1.23847574 1.22475872 -0.2344007 -0.12818024 0.83656494 0.15782698 -1.11557229 -11.09827246 0.39229807 0.661779 -7.66884201 -0.37207339 -5.84239182 -0.84381476 0.24186116 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3871-99-6 23678874 144210714 PFHS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300396 -NCGC00254390-01 196714565 tox21-ror-cho-viability-p1 set2 -1.1 1.2197151236 -96.2742804833 2.0025937589 -94.2716867244 2.2526478767 0.9896682159 1E-9 2.53995014 0.28702929 1.20525746 0.70586513 1.01444703 0.04389231 0.09832405 2.08774905 -11.386462 -71.97098848 -85.21050463 -86.59578528 -97.58973781 -94.14075435 -94.75298569 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 62-38-4 16682730 144210906 A Phenylmercuric acetate CC(=O)O[Hg]c1ccccc1 Tox21_300589 -NCGC00254531-01 196714580 tox21-ror-cho-viability-p1 set2 4 61.130564862 13.8665790039 -0.8665790039 13 1.98874246 0.7387067661 0.0235877532 0.52912141 1.3286606 -1.40400209 1.6875592 -0.18010814 -3.18159299 -1.92196144 -3.22214917 -0.44776141 0.71746987 -3.08128869 -0.4318933 1.56234139 2.99337463 9.2059264 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-33-3 2272 144210813 C I Azobenzene N(=N/c1ccccc1)\c2ccccc2 Tox21_300495 -NCGC00257859-01 196715805 tox21-ror-cho-viability-p1 set2 4 -5.78196837 -7.02012428 -4.05202616 -2.24247694 -4.82947614 -5.20420074 -1.2141417 -2.04919765 -0.12677035 -2.22523604 -2.81380187 -2.30072835 -7.28384362 -8.38644863 -13.75593751 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.495E-8 1.4519999999E-7 3.2479999999E-7 7.2619999999E-7 0.000001624 0.0000036309999999 0.000008119 0.000018149999999 0.0000406 0.000090769999999 2243-76-7 5918804 144207503 A A Alizarin Yellow R OC(=O)c1cc(ccc1O)/N=N/c2ccc(cc2)[N+]([O-])=O Tox21_200305 -NCGC00258404-01 196715823 tox21-ror-cho-viability-p1 set2 4 -0.34638664 -0.22410668 0.12658732 0.88516233 -0.07690105 -0.10640028 -1.91919683 0.4941186 0.44047013 0.91797323 1.34255628 0.36142177 -0.11617559 0.05684622 -1.80805777 1.16E-9 2.595E-9 5.802E-9 1.297E-8 2.901E-8 6.487E-8 1.451E-7 3.244E-7 7.253E-7 0.000001622 0.0000036269999999 0.000008109 0.000018129999999 0.000040549999999 0.000090659999999 151-67-7 3562 144208048 FC Fns Halothane BrC(Cl)C(F)(F)F Tox21_200850 -NCGC00257638-01 196716221 tox21-ror-cho-viability-p1 set2 4 -8.94096732 -9.34821382 -11.69838559 -8.4162588 -8.85057331 -7.85511571 -8.70139621 -18.35808409 -9.55764567 -11.00774628 -1.68649349 -7.10619215 -8.54199133 -6.86891446 -8.97545045 1.193E-9 2.667E-9 5.964E-9 1.3339999999E-8 2.982E-8 6.668E-8 1.491E-7 3.3339999999E-7 7.455E-7 0.0000016669999999 0.0000037269999999 0.000008335 0.00001864 0.00004167 0.00009318 69056-62-8 16218793 144207282 A A Tributylmethylphosphonium methyl sulfate C[P+](CCCC)(CCCC)CCCC.[O-]S(=O)(=O)OC Tox21_200084 -NCGC00257938-01 196716232 tox21-ror-cho-viability-p1 set2 -2.1 30.70018354 -64.3101410356 -1.802171549 -66.1123125846 1.55794881 0.9584768232 0.0000030164 -0.08032174 -0.6864526 -4.97927043 -2.16672811 -0.50860249 -2.59785082 3.20572276 -0.34838632 -0.52373738 -4.63611421 -7.14448618 -12.995727 -23.70619524 -34.82921292 -64.81599273 1.182E-9 2.6429999999E-9 5.9109999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.304E-7 7.3889999999E-7 0.0000016519999999 0.0000036939999999 0.000008261 0.000018469999999 0.000041299999999 0.000092359999999 97-18-7 2406 144207582 A A Bithionol Oc2c(Sc1cc(Cl)cc(Cl)c1O)cc(Cl)cc2Cl Tox21_200384 -NCGC00258365-01 196716244 tox21-ror-cho-viability-p1 set2 4 0.21759722 1.6626168 1.1191447 1.1809305 0.57816824 -0.08698492 1.80849064 2.17569687 0.7768434 1.08184554 3.31467254 3.76146112 1.66454476 6.28023647 -0.24421451 1.203E-9 2.69E-9 6.015E-9 1.345E-8 3.007E-8 6.7239999999E-8 1.504E-7 3.362E-7 7.5179999999E-7 0.0000016809999999 0.000003759 0.000008406 0.0000188 0.00004203 0.00009398 109-79-5 8012 144208009 FC F 1-Butanethiol CCCCS Tox21_200811 -NCGC00257918-01 196716268 tox21-ror-cho-viability-p1 set2 4 1.32043802 -2.47452729 -0.55244543 -2.52772564 -2.16096843 0.7280442 -1.85606931 0.30600543 -1.98410388 1.3989316 -0.29868343 -1.90000226 -2.8505816 0.34068387 0.05060082 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004107 0.00009184 79-27-6 6588 144207562 A A 1,1,2,2-Tetrabromoethane BrC(Br)C(Br)Br Tox21_200364 -NCGC00258703-01 196716254 tox21-ror-cho-viability-p1 set2 3 80.5728200641 110.4223216235 -0.5549501476 109.8673714759 4.9549173134 0.8581763153 0.0017356489 3.56170322 5.57924822 1.49765918 1.20212116 0.10956522 4.56348439 4.25947728 3.27441459 4.04087587 2.7423382 0.72098143 -5.5802871 -15.95419251 -20.70602774 89.71344108 1.226E-9 2.742E-9 6.131E-9 1.371E-8 3.066E-8 6.855E-8 1.5329999999E-7 3.4269999999E-7 7.664E-7 0.0000017139999999 0.000003832 0.000008568 0.00001916 0.00004284 0.0000958 764-42-1 637930 144208349 FNS Fumaronitrile N#C\C=C\C#N Tox21_201151 -NCGC00258092-01 196716260 tox21-ror-cho-viability-p1 set2 4 3.80627468 3.20286928 2.34432363 3.2437782 4.11098327 5.03103819 0.90710101 5.57672732 6.51508717 2.47055486 6.19841924 6.32277121 1.70021901 2.93163878 1.29374202 1.1999999999E-9 2.683E-9 6E-9 1.3419999999E-8 3E-8 6.708E-8 1.5E-7 3.3539999999E-7 7.5E-7 0.000001677 0.0000037499999999 0.000008385 0.00001875 0.00004193 0.00009375 112-44-7 8186 144207736 A Ac Undecanal CCCCCCCCCCC=O Tox21_200538 -NCGC00258081-01 196716265 tox21-ror-cho-viability-p1 set2 4 0.0038884787 11.570897828 -8.570897828 3 0.4 0.7103335531 0.0346957915 -5.47574819 -1.63007392 -2.39225917 -1.69306692 1.8484167 -0.19094283 -1.60457655 0.63852843 1.77767743 1.20846243 4.83270792 2.38215025 0.43762186 3.78808565 3.04137401 1.188E-9 2.656E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.641E-8 1.4849999999E-7 3.32E-7 7.425E-7 0.0000016599999999 0.000003712 0.0000083009999999 0.00001856 0.0000415 0.00009281 99-06-9 7420 144207725 A A 3-Hydroxybenzoic acid OC(=O)c1cc(O)ccc1 Tox21_200527 -NCGC00167538-02 196712751 tox21-ror-cho-viability-p1 set2 4 -0.69536237 -0.4549006 0.40125793 1.10144993 1.21307099 0.63632357 0.21272485 0.7419996 0.3739391 -1.0076302 0.82983306 4.97236568 1.20428918 3.26759902 1.7305887 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6933-90-0 23360 170466032 A Clorprenaline hydrochloride Cl.OC(CNC(C)C)c1ccccc1Cl Tox21_112535_1 -NCGC00090885-03 196712343 tox21-ror-cho-viability-p1 set2 4 0.42656189 -1.16712381 1.31199795 0.8733883 4.80316268 -1.3180156 -0.87453643 3.95300016 1.6510583 1.94256754 4.00429351 0.84916498 6.22147758 0.61741236 4.61466249 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00249934-01 196712743 tox21-ror-cho-viability-p1 set2 4 -2.57695253 -3.81306279 -3.98023472 -4.5604023 -0.06474109 0.19600208 -0.88492048 -2.42411826 -0.95802446 -0.1117752 -0.48151835 -4.78755121 -2.31192393 0.55303548 -2.02057858 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50838-36-3 5506 170465866 A F Tolciclate Cc1cc(ccc1)N(C)C(=S)Oc2ccc4c(c2)C3CCC4C3 Tox21_113710 -NCGC00253685-01 196712750 tox21-ror-cho-viability-p1 set2 4 2.6603212004 -7.394006864 -1 -8.394006864 3.5117481694 0.8313616578 0.0057944964 -0.53845431 2.115361 0.60678694 -2.84806475 -2.73836207 -1.22939604 -0.85310102 -0.72259635 -1.61402866 -1.72739995 -2.54994565 -7.50524556 -9.49500572 -6.98097922 -3.07280577 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1210-35-1 14589 170466691 A A Dibenzosuberone O=C1c3ccccc3CCc2ccccc12 Tox21_113809 -NCGC00344565-01 196713153 tox21-ror-cho-viability-p1 set2 4 1.12477793 -0.30510122 0.39361522 2.35625171 2.77739566 -0.73906513 -0.19486395 3.45749752 2.77521097 1.82218184 3.49360003 0.15036873 0.80083256 1.08164095 -1.42478756 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 108612-45-9 65906 170465604 A Mizolastine O=C1C=CN=C(N1)N(C)C2CCN(CC2)c4nc5ccccc5n4Cc3ccc(F)cc3 Tox21_112663_1 -NCGC00253619-01 196713155 tox21-ror-cho-viability-p1 set2 4 -1.68227603 -0.199544 -1.356705 2.57487554 2.62359092 2.31070553 -0.42040451 -1.7381872 -1.34528629 1.96263019 2.82243456 2.87100808 -2.15309559 0.64261382 0.84558615 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3874-54-2 19750 170466673 F C 4-Chloro-1-(4-fluorophenyl)-1-butanone O=C(CCCCl)c1ccc(F)cc1 Tox21_113749 -NCGC00247665-04 196713196 tox21-ror-cho-viability-p1 set2 -2.4 11.577365042 -21.460842244 -1.5 -22.960842244 4.9549173134 0.8872756027 0.0005866374 2.37662648 -3.4505625 -2.92859252 -1.68035033 -4.43514756 2.78997242 -2.32640408 -1.89222919 -0.47727458 -2.16476708 -1.83922797 -2.47817085 0.16211846 -9.14782547 -22.05070187 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 58579-51-4 60196296 170465269 A Anagrelide hydrochloride Cl.Oc1cn2Cc3c(Nc2n1)ccc(Cl)c3Cl Tox21_112568_1 -NCGC00160547-02 196713183 tox21-ror-cho-viability-p1 set2 1.2 5.3080386368 57.9646453444 0.002896799 57.9675421434 1.826479391 0.9900117913 8E-10 -0.54574842 -0.41819121 0.96528511 -0.05079047 0.98877168 -0.62616218 0.54752874 1.0815884 0.01017186 1.4000164 2.95087098 24.69364542 39.76861441 56.83092367 53.2064329 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17692-39-6 71693 170466319 A Fomocaine C(CCN1CCOCC1)c3ccc(COc2ccccc2)cc3 Tox21_111890_1 -NCGC00262934-01 196713184 tox21-ror-cho-viability-p1 set2 4 0.35939639 -1.26532687 -0.38169812 -0.10781799 -0.51891278 -1.49087032 2.74856636 -1.91618263 0.29795063 3.63966808 0.59063324 -0.49459249 -3.03427158 -1.3269476 -3.12451995 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53786-45-1 104609 170466717 B F Ethyl 4-(2-amino-4-chloroanilino)piperidine-1-carboxylate Clc2ccc(NC1CCN(CC1)C(=O)OCC)c(N)c2 Tox21_113929 -NCGC00183020-01 196713185 tox21-ror-cho-viability-p1 set2 -2.4 33.4914596268 -26.576686688 0.5 -26.076686688 4.9549173134 0.9219704195 0.0000915658 -0.90049721 0.13802389 -1.2805228 -1.19250711 -1.01958239 -1.21612041 1.79186992 2.61361603 2.58259637 0.32918469 3.44395798 -1.7459707 1.16210658 -2.28898969 -21.73057224 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 128420-61-1 130990 144206826 A A Minopafant [Cl-].COc1ccccc1C(=O)N(Cc2cccc[n+]2CC)C(=O)OC[C@@H](COC(=O)N3CCC(CC3)OC(=O)NCCCCCCCCCCCCCCCCCC)OC Tox21_113275 -NCGC00015278-15 196713597 tox21-ror-cho-viability-p1 set2 4 1.08913018 0.13123269 0.51000215 -0.0977012 -0.03596203 1.35781345 0.92276285 0.96083752 1.03466143 0.95262008 -0.60023397 0.44590757 1.34446794 1.98818457 -0.19091457 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 78-44-4 2576 170465436 A Carisoprodol O=C(NC(C)C)OCC(C)(COC(=O)N)CCC Tox21_110122_1 -NCGC00021761-05 196713619 tox21-ror-cho-viability-p1 set2 4 0.65707062 -0.25102294 1.49994333 1.75732754 1.28768512 -1.04082166 -0.39848174 0.05005852 2.00086205 0.72997082 1.95299834 0.9243943 0.76306842 1.80484801 0.91314172 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2135-17-3 16490 170465750 A Flumethasone OCC(=O)[C@@]4(O)[C@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3C[C@H](F)C1=CC(=O)C=C[C@@]12C Tox21_110518_1 -NCGC00254886-01 196714015 tox21-ror-cho-viability-p1 set2 4 -0.1780442 -1.09566744 -1.86510516 -6.20736437 -0.69559007 -7.54389951 2.27518487 -4.48258246 -2.65278506 -2.52490861 -1.17975835 -4.80895028 -5.08785424 0.78202234 0.69382035 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-40-2 4937 144211301 A A Propazine Clc1nc(NC(C)C)nc(NC(C)C)n1 Tox21_300984 -NCGC00022680-05 196725891 tox21-ror-cho-viability-p1 set3 4 1.99026531 1.40540726 2.69589756 6.46439685 4.17717627 0.32072397 3.66793611 -1.87438157 -2.04910709 3.95883176 5.1436671 6.30345483 -2.89358543 -0.62548476 3.95205136 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 302-22-7 9324 170465776 A Chlormadinone acetate CC(=O)[C@@]3(OC(C)=O)CC[C@H]2[C@@H]4C=C(Cl)C1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_110881_1 -NCGC00015439-11 196725892 tox21-ror-cho-viability-p1 set3 4 0.0105909295 16.587647648 -10.087647648 6.5 0.4 0.5135220522 0.1667063358 -5.48331554 -4.46533336 -5.90637304 -3.3747499 -0.36231994 2.85163985 0.72277885 3.34854969 -0.16533293 0.71195301 15.66239968 -2.79412704 7.12591314 4.52975142 7.25626998 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 78755-81-4 3373 170464960 A Flumazenil O=C(OCC)c3ncn2c3CN(C)C(=O)c1cc(F)ccc12 Tox21_110148_1 -NCGC00260222-01 196724310 tox21-ror-cho-viability-p1 set3 4 -1.89125624 7.06722355 1.17276918 2.09491891 9.01270145 -0.1336859 2.44842772 0.69132231 1.08376575 3.29199671 0.68864364 1.7779847 -0.41680559 -1.69525585 2.53352523 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.0000036909999999 0.000008252 0.000018449999999 0.000041259999999 0.00009226 26576-84-1 13240377 144209872 A A 1-Butyl-2-methylpyridinium bromide [Br-].Cc1cccc[n+]1CCCC Tox21_202674 -NCGC00188429-02 196722392 tox21-ror-cho-viability-p1 set3 4 2.9849294812 6.8956104639 -1.8956104639 5 4.9549173134 0.4820749595 0.1957205757 -2.53714977 0.15479809 -1.68439 -1.70353664 -2.24381111 0.96710179 -0.16577479 0.10508834 -4.08799135 -4.00942753 -6.16300872 7.26993551 -2.35849939 8.59719972 5.69589927 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 114607-46-4 2006 170466060 A Acitazanolast O=C(O)C(=O)Nc1cccc(c1)c2nnnn2 Tox21_113173_1 -NCGC00091208-09 196698293 tox21-ror-cho-viability-p1 set1 4 -0.73153778 -2.54427856 -1.20956969 -0.08526841 -4.8860197 -1.2455501 0.11056953 1.47816655 -2.47666916 0.29184509 4.08589465 -1.54634594 -3.77871511 -2.96803124 -4.22372713 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 136-77-6 3610 170465471 Ac 4-Hexylresorcinol Oc1cc(O)ccc1CCCCCC Tox21_111102_1 -NCGC00015121-17 196698297 tox21-ror-cho-viability-p1 set1 -2.1 29.8492948118 -78.907435776 -0.52366468 -79.431100456 4.0949729863 0.9829863226 1.86E-8 1.87007295 -2.70035153 2.37739642 0.56123194 1.59198896 -4.62258656 0.36568203 -0.06365604 -0.09352569 0.62170817 -0.69048121 -3.18628531 -5.92712591 -15.39466505 -67.85925038 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-96-1 4768 170465147 C Phenoxybenzamine hydrochloride CC(COc1ccccc1)N(Cc2ccccc2)CCCl Tox21_110087_1 -NCGC00167459-02 196722400 tox21-ror-cho-viability-p1 set3 4 1.333319023 -9.053748788 -1 -10.053748788 1.5094870999 0.7250694676 0.0355384338 -4.02234072 0.76936377 -3.38578467 -4.59259177 1.50347095 -0.93660119 1.95287319 -0.77586378 -2.49478053 -5.14799289 -6.12068652 -7.23714131 -12.12812399 -8.60577485 5.82529288 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 113-07-5 64647 170465313 A Doxapram hydrochloride Cl.O=C4N(CC)CC(CCN1CCOCC1)C4(c2ccccc2)c3ccccc3 Tox21_112463_1 -NCGC00091009-05 196722396 tox21-ror-cho-viability-p1 set3 4 1.24227079 3.74782205 0.08899209 -2.36649949 5.31556595 -2.5158683 -3.69881719 6.52255838 -6.44435532 1.91998261 -3.36257876 -0.90899907 -11.23443771 -2.67593389 3.94029793 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00024665-10 196722398 tox21-ror-cho-viability-p1 set3 4 37.5780357627 -18.5133691679 -2 -20.5133691679 1.6266150999 0.602324531 0.0959498347 -2.75550109 1.6845866 -3.25141256 -4.88059275 -0.997427 -1.69512444 0 -6.50077529 3.42954038 -1.80520206 -2.94958288 -1.81066862 -5.82561863 -3.6065068 -15.42780764 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 20229-30-5 4106 170466339 A Metitepine CN1CCN(CC1)C2Cc4ccccc4Sc3ccc(SC)cc23 Tox21_110916_1 -NCGC00016283-04 196722796 tox21-ror-cho-viability-p1 set3 4 -15.56558967 0.950121 -12.25116533 -10.56060081 -14.03605324 0.3279559 -2.61957544 -4.89946402 -2.93137112 -9.0726258 -5.47179792 -8.30984341 20.77781259 -8.93478919 -0.52447795 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62-97-5 6126 170464876 A Diphemanil methylsulfate [O-]S(=O)(=O)OC.C[N+]1(C)CC\C(CC1)=C(\c2ccccc2)c3ccccc3 Tox21_110349_1 -NCGC00163919-02 196722798 tox21-ror-cho-viability-p1 set3 4 5.5759484869 -7.2083227 1.5 -5.7083227 4.9549173134 0.5612195618 0.1432170933 0.99994355 1.85801268 2.27955655 0.65168889 1.24845211 -0.47746046 -0.88760106 -1.23780103 3.23314538 4.34369097 3.71477114 -6.9007434 -8.92360225 -0.49194883 2.07657554 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00178879-04 196722800 tox21-ror-cho-viability-p1 set3 -1.1 1.6785492 -127.8199988151 4.1270949054 -123.6929039097 2.2526478767 0.9922765361 2E-10 4.27015501 2.70240964 -2.55230732 -4.75547289 3.77986453 6.83872936 8.49509861 13.38016762 1.91654831 -13.69708575 -71.59537771 -112.46091835 -119.0198962 -118.3584136 -124.18966256 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54-64-8 16684434 170465469 A Thimerosal [Na+].[O-]C(=O)c1ccccc1S[Hg]CC Tox21_111331_1 -NCGC00091426-02 196722820 tox21-ror-cho-viability-p1 set3 4 -4.64215457 -5.19061959 -1.66805534 -2.50436298 -3.7467712 -7.41172218 -0.43542483 -13.71307912 -4.2055028 -8.66994939 0.42125865 -6.53166109 -7.63035737 -6.81653207 -4.98851214 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00016522-10 196723227 tox21-ror-cho-viability-p1 set3 4 0.421632496 13.8858551719 -3.3858551719 10.5 3.1319983358 0.5344432168 0.1481827528 1.32093502 1.07268992 5.05040363 -1.50278324 -3.33439331 -21.15487931 -7.09521026 0 0.17857048 14.2144521 9.12017491 7.69082812 9.01047279 6.38632583 15.19566773 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 603-50-9 2391 170464843 A Bisacodyl CC(=O)Oc1ccc(cc1)C(c2ccc(OC(C)=O)cc2)c3ccccn3 Tox21_110472_1 -NCGC00244579-01 196718524 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -62.2119384864 -4.565711117 -66.7776496034 4.9549173134 0.9150759263 0.0001406293 -1.98293618 0.28078863 0.67484958 -8.78084579 -9.39639728 -9.00485345 -3.46229317 -2.1696646 -8.36697983 -11.48347448 -6.48191152 -0.23464815 -2.18750736 -8.44230098 -54.98226159 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00263858-02 196723463 tox21-ror-cho-viability-p1 set3 4 0.2371013766 -7.475841452 7.5 0.024158548 1.331 0.4255612432 0.2649499582 10.94016611 -0.98458294 8.69330647 11.48647281 10.67536929 2.52592862 6.75890392 5.43498641 4.15621137 -2.55417243 4.31995113 -3.31320121 3.86478846 -2.11549625 13.73482659 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 41575-94-4 426756 170464868 F Carboplatin O=C2O[Pt](N)(N)OC(=O)C12CCC1 Tox21_112586_1 -NCGC00257219-01 196718938 tox21-ror-cho-viability-p1 set2 4 -3.56639877 -1.71688242 0.94980794 0.58504127 0.19902687 1.16683469 -1.68733845 -0.73168186 -0.4452002 -1.64711889 -0.62409614 1.01491675 -2.27865006 -2.44206261 -2.70537784 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 930-69-8 4110039 144213419 Z F Sodium benzenethiolate [Na+].[S-]c1ccccc1 Tox21_303102 -NCGC00256403-01 196718518 tox21-ror-cho-viability-p1 set2 4 54.4826732819 13.4581531719 -4.4581531719 9 1.0999999999 0.3910281537 0.2817614086 -2.87957335 -3.26995914 -4.79185918 -0.29176592 -0.83616057 -8.72480757 -12.88179431 -2.13369809 -7.08878359 -1.97833212 -1.49762202 -3.09688352 -0.43309411 -1.42077767 6.18115536 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 97-59-6 204 144213229 Ac A Allantoin O=C1NC(=O)NC1NC(=O)N Tox21_302912 -NCGC00256673-01 196718525 tox21-ror-cho-viability-p1 set2 4 -3.18826226 -5.33780466 -1.93698635 -1.01928942 -6.08283315 -5.42109141 -2.42830755 -2.95232641 -3.60836084 -2.24792389 1.1032026 0.07723653 -0.54889515 -5.56049401 -2.20968229 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 138-15-8 2723891 144212969 Z A L-Glutamic acid hydrochloride Cl.OC(=O)CC[C@H](N)C(=O)O Tox21_302652 -NCGC00256681-01 196718949 tox21-ror-cho-viability-p1 set2 4 -2.13148982 -0.20813173 -3.39226597 -4.99879706 -7.57416164 -5.33181569 -1.76354795 -4.62893516 0.1667888 -3.20035817 2.27836976 0.8180691 -0.53896941 -7.07911484 -12.18499604 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2695-37-6 3571582 144212783 Ac Ac Sodium 4-vinylbenzenesulfonate [Na+].O=S([O-])(=O)c1ccc(C=C)cc1 Tox21_302466 -NCGC00257220-01 196719370 tox21-ror-cho-viability-p1 set2 4 -0.83933727 0.67792713 0.89987333 -2.18859991 1.07075464 0.02252945 -0.95834592 1.31689733 -0.99583703 1.74997844 -0.47350459 -1.57580982 -1.6695648 -0.45532213 5.96634053 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-35-6 8178 144213432 A A 2-[2-(2-Methoxyethoxy)ethoxy]ethanol OCCOCCOCCOC Tox21_303115 -NCGC00256321-01 196719371 tox21-ror-cho-viability-p1 set2 4 0.45542377 3.67665671 -0.07988232 -18.68404467 3.88188821 4.72285713 6.31221977 6.4887326 6.5387434 -0.77176592 0 3.31774746 2.53442213 3.45759061 4.51598497 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 75-12-7 713 144213141 A A Formamide NC=O Tox21_302824 -NCGC00257273-01 196719372 tox21-ror-cho-viability-p1 set2 4 -4.4402325 -2.12043131 2.65926896 -1.87080227 -17.93449273 2.10041011 -1.86056541 -5.00120459 -5.81261402 -7.22702304 -3.17728887 2.1653035 1.08817005 -5.4246781 0.13459901 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131-16-8 8559 144213692 A A Dipropyl phthalate O=C(OCCC)c1ccccc1C(=O)OCCC Tox21_303379 -NCGC00256873-01 196719378 tox21-ror-cho-viability-p1 set2 4 1.59187831 -0.97455528 0.07399779 3.64187128 1.00802165 7.62320805 0.96393122 5.84658136 2.1796661 2.13928731 3.92281618 -4.24486434 0.78071524 2.31179261 3.68890669 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4994-16-5 21096 144212833 A Ac 4-Phenyl-1-cyclohexene c1cc(ccc1)C2CC=CCC2 Tox21_302516 -NCGC00255099-01 196719790 tox21-ror-cho-viability-p1 set3 4 10.4678132898 -11.84442612 2 -9.84442612 4.9549173134 0.6252542186 0.0928346019 7.58066758 0.97946892 -1.56879541 4.35533742 -2.35818464 0.40221397 4.13199797 -0.06180439 3.19976814 1.93670206 0.16357982 6.49100129 -11.1203551 -8.03998681 -0.01556906 9.438E-10 2.11E-9 4.719E-9 1.055E-8 2.3589999999E-8 5.276E-8 1.1799999999E-7 2.6379999999E-7 5.899E-7 0.000001319 0.0000029489999999 0.0000065949999999 0.00001475 0.00003297 0.00007373 1689-84-5 15531 144211519 A A Bromoxynil Brc1cc(cc(Br)c1O)C#N Tox21_301202 -NCGC00254528-01 196719793 tox21-ror-cho-viability-p1 set3 4 5.34359775 3.83408791 1.5011241 -0.65251547 5.41073629 6.38436429 4.3544627 7.68674706 0.63010956 9.72678625 13.89690908 -3.59080605 3.54054563 0.59881044 -3.7603904 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27955-94-8 93118 144210720 A A 4,4',4"-Ethane-1,1,1-triyltriphenol CC(c1ccc(O)cc1)(c2ccc(O)cc2)c3ccc(O)cc3 Tox21_300402 -NCGC00254087-01 196719796 tox21-ror-cho-viability-p1 set3 4 -0.97776272 5.24767312 11.81032672 1.14610337 1.33324482 -0.12971549 3.38738425 0.92827939 4.46721322 2.56845576 0.67272464 2.26535179 -1.05150725 5.08327724 4.25986247 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 288-88-0 9257 144210433 AC Ac 1H-1,2,4-Triazole c1ncnn1 Tox21_300113 -NCGC00090773-04 196727349 tox21-ror-cho-viability-p1 set3 4 27.7787679881 -14.02393838 -1 -15.02393838 4.9549173134 0.7326181287 0.0322802399 -0.65769377 -1.64520095 -3.4840466 -0.942148 -2.02693089 1.54026345 -0.10004026 -6.87490961 0 0 -0.85486534 1.48597337 -0.98085916 -15.01994865 0.59916821 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.0000016739999999 0.000003742 0.000008368 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00015060-14 196726919 tox21-ror-cho-viability-p1 set3 4 0.7625499099 -6.9370623359 3.5 -3.4370623359 2.4063783767 0.492110229 0.2033233326 6.39650085 1.88810324 2.73387625 4.21789817 3.71806169 2.15670405 3.33712164 2.45876392 -0.10660024 -0.02085874 -10.78088528 -2.02342002 -5.42730428 3.56141701 5.1193396 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00256960-01 196727330 tox21-ror-cho-viability-p1 set3 4 -0.93696131 -1.46858752 -0.69453353 -1.69177914 0.53491549 0.36657783 -1.83630733 -4.15324444 -0.41641975 -3.26006072 -4.1887606 0.45449348 1.03248099 -1.93524232 0.80193701 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-11-7 7636 144213544 A Ac 2-Ethylhexyl acrylate O=C(C=C)OCC(CCCC)CC Tox21_303227 -NCGC00256338-01 196727338 tox21-ror-cho-viability-p1 set3 4 -0.75277627 -3.86560438 0.83042536 -3.4153581 -0.92484485 2.00405441 -0.31435132 0 -1.90231874 0 -0.9889948 -2.04932521 -3.26941859 -0.25281313 -0.71376051 1.1689999999E-9 2.614E-9 5.845E-9 1.3069999999E-8 2.922E-8 6.5339999999E-8 1.461E-7 3.267E-7 7.306E-7 0.0000016339999999 0.000003653 0.0000081679999999 0.00001826 0.00004084 0.000091319999999 868-85-9 6327114 144213116 F A Dimethyl hydrogen phosphite O=P(OC)OC Tox21_302799 -NCGC00257411-01 196727742 tox21-ror-cho-viability-p1 set3 2.2 21.8120535833 69.0753955146 -0.2799913279 68.7954041867 2.3031167061 0.93793234 0.0000271144 6.32271398 0.17433558 1.80354146 -3.90109955 -2.10984389 -4.81665944 -4.76577609 2.1133345 -1.57659078 -1.76272112 -1.48305272 8.32852778 6.1865597 19.89658241 52.58833721 4.5419999999E-10 1.016E-9 2.2709999999E-9 5.078E-9 1.135E-8 2.5389999999E-8 5.677E-8 1.2699999999E-7 2.839E-7 6.348E-7 0.0000014189999999 0.0000031739999999 0.000007097 0.00001587 0.000035479999999 102676-31-3 59694 144213918 A A Fadrozole hydrochloride Cl.N#Cc1ccc(cc1)C3CCCc2cncn23 Tox21_303613 -NCGC00257305-01 196727750 tox21-ror-cho-viability-p1 set3 4 -5.10900624 0.94868842 -3.59092726 -5.5286128 -2.07954189 -15.59820729 -12.35718232 0 0 -0.59768829 0 -3.14792177 -3.74397599 -0.17162085 -6.58236443 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 32809-16-8 36242 144213945 A A Procymidone Clc1cc(cc(Cl)c1)N2C(=O)C3(C)CC3(C)C2=O Tox21_303640 -NCGC00256395-01 196727757 tox21-ror-cho-viability-p1 set3 4 0.19806865 -2.12735722 -1.72592588 -0.13071719 0.02053661 -2.20955108 -20.42015913 -1.68469224 -2.27519478 -10.16651475 0 -12.58923729 -2.38891506 -2.11032799 -1.44275443 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.000018359999999 0.000041049999999 0.000091779999999 99-57-0 3613389 144213105 A A 2-Amino-4-nitrophenol Nc1cc(ccc1O)[N+]([O-])=O Tox21_302788 -NCGC00257398-01 196727765 tox21-ror-cho-viability-p1 set3 4 -2.39518458 3.68266953 2.09637827 2.20374022 1.79023527 2.89628061 4.80954406 -1.58686393 0.09071686 -0.64696042 0.20639362 2.88210406 2.24107813 -1.8995396 -2.21431201 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19780-11-1 5362708 144213711 A A (2-Dodecenyl)succinic anhydride O=C1OC(=O)CC1C/C=C/CCCCCCCCC Tox21_303400 -NCGC00255875-01 196728169 tox21-ror-cho-viability-p1 set3 4 -3.45639983 -4.07503928 6.19017056 -2.95127128 -2.05247669 0.29566195 0.40898734 0.96877569 -0.22408997 -5.8491263 -3.41328807 -3.46485212 -1.29523474 -4.87027847 -5.25832466 1.0499999999E-9 2.3479999999E-9 5.25E-9 1.174E-8 2.6249999999E-8 5.869E-8 1.312E-7 2.935E-7 6.562E-7 0.000001467 0.000003281 0.0000073369999999 0.00001641 0.00003668 0.00008203 83121-18-0 91734 144211765 A B Teflubenzuron Clc2cc(NC(=O)NC(=O)c1c(F)cccc1F)c(F)c(Cl)c2F Tox21_301448 -NCGC00090910-03 196728170 tox21-ror-cho-viability-p1 set3 4 0.6406391501 -4.163769768 -1 -5.163769768 4.9549173134 0.5765261236 0.1172045545 1.85472157 -3.30325328 0.60425994 -2.20744054 -2.32166022 -2.60726476 -1.3125129 0.5611323 -4.54437087 -5.38645326 -5.0055668 -8.46980814 -2.9931956 -4.64024016 -4.09124932 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00255230-01 196728183 tox21-ror-cho-viability-p1 set3 4 24.3365162115 -19.904195508 -3 -22.904195508 0.7999999999 0.6701358015 0.0529021695 1.47970043 -5.79976302 -2.86392596 -10.07616207 -1.96837804 -0.96854108 -7.60251982 0.24105673 0.50390526 -7.14353648 -5.92552316 -11.80807057 -11.5626213 -12.39139249 -19.08682959 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15233-47-3 85821 144211806 A A N-(1-Methylheptyl)-N'-phenyl-1,4-benzenediamine CC(CCCCCC)Nc1ccc(cc1)Nc2ccccc2 Tox21_301489 -NCGC00255755-01 196728592 tox21-ror-cho-viability-p1 set3 4 54.4826732819 -16.540732048 2 -14.540732048 1.372261 0.746251813 0.0209172415 0 3.04628763 2.33942052 0.12900534 1.96893137 3.28045601 0.86363593 3.23407537 5.38807517 3.54761543 1.9049048 -3.49437271 -0.26359759 -2.65238822 -10.45061004 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66063-05-6 91692 144211572 A A Pencycuron Clc1ccc(cc1)CN(C(=O)Nc2ccccc2)C3CCCC3 Tox21_301255 -NCGC00258101-01 196702390 tox21-ror-cho-viability-p1 set1 4 6.89124592 -0.12910389 5.27624016 5.48109643 3.39217467 2.37405236 4.11252575 8.91416468 7.42134401 -1.59599622 0.18439694 5.87763553 6.36770986 2.68663251 10.20630119 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 331717-63-6 16211115 144207745 A A 1-Ethyl-3-methylimidazolium thiocyanate N#C[S-].C[n+]1ccn(CC)c1 Tox21_200547 -NCGC00258716-01 196701989 tox21-ror-cho-viability-p1 set1 4 1.74577288 0.01300081 -0.571457 0.19729744 1.89273702 0.95183483 0.03116491 5.87176033 1.24717928 -1.88121646 1.97994856 0.7363639 1.20286677 1.76677504 6.30673438 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.3169999999E-8 2.9459999999E-8 6.587E-8 1.4729999999E-7 3.2929999999E-7 7.364E-7 0.0000016469999999 0.0000036819999999 0.000008234 0.000018409999999 0.00004117 0.00009206 488-41-5 656655 144208362 A F Dibromomannitol O[C@H]([C@H](O)CBr)[C@H](O)[C@H](O)CBr Tox21_201164 -NCGC00258635-01 196702410 tox21-ror-cho-viability-p1 set1 4 0.97882032 2.30266876 -2.42483547 -1.8137772 2.78542028 -1.45694265 -2.30226483 0.11730525 -2.00127187 2.31199508 -2.65315634 5.40517493 3.36059407 1.96824187 2.95859728 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.968E-8 6.6359999999E-8 1.484E-7 3.318E-7 7.4189999999E-7 0.000001659 0.000003709 0.000008295 0.00001855 0.000041469999999 0.00009274 223437-11-4 11048104 144208281 A 1-Butyl-1-methylpyrrolidinium bis(trifluoromethanesulfonyl)imide CCCC[N+]1(C)CCCC1.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F Tox21_201083 -NCGC00258184-01 196702807 tox21-ror-cho-viability-p1 set1 4 -0.1018908 -0.25461107 -1.68140765 -2.66793386 -5.41817327 -4.03268214 -1.52190014 -7.79564914 -2.67889251 4.83653781 -10.14049202 4.54934641 -2.04808211 3.38694162 -7.68702721 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.954E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3839999999E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.0000923 223437-05-6 25171607 144207828 Ac 1-Methyl-1-propylpyrrolidinium bis(trifluoromethylsulfonyl)imide C[N+]1(CCC)CCCC1.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F Tox21_200630 -NCGC00257643-01 196702821 tox21-ror-cho-viability-p1 set1 4 5.5148220898 -15.0312060439 -2 -17.0312060439 0.2 0.323081895 0.3627709026 -9.99177823 -3.49512187 0.40789042 -6.16975692 -4.65749972 -5.95402764 -9.18175057 -9.97126359 -1.79050261 -8.43273571 -13.35933837 -11.26696081 -9.95724713 -10.02368332 -6.30001724 1.1919999999E-9 2.6649999999E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004163 0.000093099999999 589-18-4 11505 144207287 A A 4-Methylbenzyl alcohol Cc1ccc(CO)cc1 Tox21_200089 -NCGC00257900-01 196702825 tox21-ror-cho-viability-p1 set1 4 -15.1771075 -13.30670159 -16.05235628 -4.74320673 -12.98852492 -11.78259625 -15.19830733 -18.38979904 -15.31487817 -10.38321072 -17.81821516 -13.61931845 -17.79213299 -13.94033838 -12.92225526 1.172E-9 2.621E-9 5.8609999999E-9 1.311E-8 2.931E-8 6.553E-8 1.465E-7 3.277E-7 7.327E-7 0.0000016379999999 0.0000036629999999 0.000008192 0.00001832 0.00004096 0.00009159 627-05-4 12302 144207544 A A 1-Nitrobutane [O-][N+](=O)CCCC Tox21_200346 -NCGC00357208-01 196703223 tox21-ror-cho-viability-p1 set1 4 -2.5906634 1.34600057 -0.89164296 -1.53954464 0.87368406 -1.37478065 -0.63430908 -0.49943713 -4.4239236 -0.41116635 -0.82574021 0.76929036 0.16220536 1.44215562 -2.21465681 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5103-74-2 12303039 251919740 trans-Chlordane ClC2=C(Cl)[C@]3(Cl)[C@H]1C[C@@H](Cl)[C@H](Cl)[C@H]1[C@@]2(Cl)C3(Cl)Cl Tox21_303985 -NCGC00357060-01 196703237 tox21-ror-cho-viability-p1 set1 4 0.70494633 -4.31325348 -4.08731106 -1.46894308 2.65007495 -0.9503697 -0.25047059 1.04223637 -1.90559588 1.36279841 -7.63645508 0.54529239 -1.78139506 -4.19028552 1.97691362 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10022-28-3 61431 251919816 F 1,1-Dimethoxyoctane COC(CCCCCCC)OC Tox21_303766 -NCGC00356997-01 196703244 tox21-ror-cho-viability-p1 set1 4 4.58081439 4.57228275 5.56025184 3.40031628 -0.03187414 -2.1083324 4.17881553 3.48818523 2.32569962 2.24425278 -4.72316212 9.32258653 0.1022999 4.71607968 5.43604448 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 171118-09-5 6426849 251919736 I Metolachlor ESA O=S(=O)(O)CC(=O)N(C(C)COC)c1c(C)cccc1CC Tox21_303740 -NCGC00260591-01 196703636 tox21-ror-cho-viability-p1 set1 4 2.35271143 0.92254781 -6.9322733 -0.67602873 1.02905479 -2.08469376 -1.81338573 6.3297694 -0.61808121 2.08882783 2.60387191 1.7281555 -2.06944293 2.19795924 1.88097123 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49487 144210244 M M NTP Mix47 CT1 3-EQP Tox21_203046 -NCGC00256117-01 196701191 tox21-ror-cho-viability-p1 set1 -2.4 19.3311819617 -30.87734858 1 -29.87734858 0.8999999999 0.8705538199 0.0011353139 5.59018276 0.94293348 3.1204352 3.25106635 -1.83674225 -0.69076351 -8.17776379 0.51385134 0.14103713 -0.62728674 -5.20436878 -9.43009818 -11.45999104 -22.81445715 -22.68406906 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 312693-54-2 60196419 144211730 B Fns Monosodium 8-amino-1-naphthol-3,6-disulfonate monohydrate [Na+].O.[O-]S(=O)(=O)c2cc1cc(cc(O)c1c(N)c2)S(=O)(=O)O Tox21_301413 -NCGC00255199-01 196701180 tox21-ror-cho-viability-p1 set1 -2.1 27.3060203028 -77.4147731937 -7.285188761 -84.6999619547 1.21 0.9328358581 0.0000412509 -5.12502881 -5.58522761 -12.18495001 -2.81008922 -4.04278004 4.13979522 -18.33758953 -8.64712155 -7.1078305 -15.04593946 -17.60023502 -16.04032066 -36.69733021 -58.43274144 -68.71209239 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6051-87-2 2361 144212341 A A 5,6-Benzoflavone O=C3C=C(Oc2ccc1ccccc1c23)c4ccccc4 Tox21_302024 -NCGC00256109-01 196701186 tox21-ror-cho-viability-p1 set1 4 -3.36144648 -7.52664829 -2.08025126 -0.1880121 -5.05194841 1.80882986 0.15453497 1.44977696 -3.15942557 -0.13760654 -3.44971606 -14.33139174 -0.14675187 -0.11521309 -5.98948447 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2705-87-5 17617 144212099 A Ac Prop-2-en-1-yl 3-cyclohexylpropanoate O=C(CCC1CCCCC1)OCC=C Tox21_301782 -NCGC00255793-01 196700155 tox21-ror-cho-viability-p1 set1 4 0.0216899429 -6.540557896 1 -5.540557896 4.9549173134 0.4031244966 0.2698395208 -5.7415792 1.4166179 6.21100447 1.37978713 -4.45518395 -4.43786236 -6.41772152 -0.39812105 -7.28676182 -1.40770393 -9.52650247 -6.75089349 -10.86713158 -2.59709058 -7.11853796 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13372-77-5 114644 144212215 D Citral oxime C/C(C)=C\CCC(C)=C\C=N\O Tox21_301898 -NCGC00254724-01 196699754 tox21-ror-cho-viability-p1 set1 4 48.5577336745 -8.137508728 1.5 -6.637508728 3.9899729863 0.4130432979 0.2624258205 0.55837258 2.80086581 4.36931388 -1.09692464 -2.50625663 0.3967355 3.41898062 -3.52536048 2.26999289 2.34491244 3.37244097 3.52286821 4.58892287 -1.56616306 -5.94792394 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-29-7 7647 144211137 A Ac Bibenzyl C(Cc1ccccc1)c2ccccc2 Tox21_300820 -NCGC00254890-01 196699756 tox21-ror-cho-viability-p1 set1 -2.1 61.130564862 -99.3216643605 -3.5625930099 -102.8842573704 2.4729283767 0.9213479578 0.0000945081 -7.83080736 0.6063696 0.01656366 2.68331088 -0.59370719 -8.67146029 0.37383493 1.90447026 -13.34635886 -7.43193942 0.98821075 -2.75372269 -19.76127816 -25.47667637 -77.94261922 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 115-32-2 8268 144211305 I Dicofol OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(Cl)(Cl)Cl Tox21_300988 -NCGC00253932-01 196699757 tox21-ror-cho-viability-p1 set1 4 -2.25751304 -2.50399795 -0.70509423 -6.49957118 -1.12337489 0.14301843 -1.80390418 0.29088452 -2.07138194 -0.12800466 1.62649115 0.04722648 -1.93295059 1.35624312 -1.85694708 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-06-1 6579 144210465 A A Acrylamide C=CC(N)=O Tox21_300145 -NCGC00091380-04 196700153 tox21-ror-cho-viability-p1 set1 4 -0.54615895 1.17362101 0.45222778 4.64461689 -1.82329261 1.34854303 1.00446779 1.09578094 0.75320126 2.44589429 0.82921105 2.27252508 0.87761921 1.10513622 5.79723204 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00255169-01 196700987 tox21-ror-cho-viability-p1 set1 -1.1 1.0870722482 -75.5366766435 -3.7195264249 -79.2562030684 3.1319983358 0.9820293225 2.55E-8 -7.69140298 -5.26049036 -6.22511991 -2.84008427 -5.25049772 -1.65466441 -5.25527253 -0.55106653 -14.22925233 -77.22159131 -75.58531169 -76.94109387 -77.68092056 -81.13353242 -74.86496974 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 54-64-8 16684434 144212493 A A Thimerosal [Na+].[O-]C(=O)c1ccccc1S[Hg]CC Tox21_302176 -NCGC00257546-01 196701404 tox21-ror-cho-viability-p1 set1 4 0.6112628 -1.21354422 -1.12710919 -5.21035053 -1.24525519 -1.96574874 -5.9853725 -9.32686512 -9.198318 1.26065219 -0.25075534 -0.59665435 -11.22469392 0.97921352 -1.34621746 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1122-58-3 14284 144212501 A N,N-dimethylpyridin-4-amine CN(C)c1ccncc1 Tox21_302184 -NCGC00255882-01 196701414 tox21-ror-cho-viability-p1 set1 4 0.96599813 -1.36176395 0.28684327 3.08190555 3.06052947 3.69178684 0.33306646 2.83311842 4.02322759 -1.08067081 1.51058387 -1.86955977 2.37912077 -1.67215149 0.09924546 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2882-19-1 97780 144211761 F F Ethyl bromophenylacetate O=C(OCC)C(Br)c1ccccc1 Tox21_301444 -NCGC00254949-01 196698932 tox21-ror-cho-viability-p1 set1 -1.2 1.2197151236 -27.4415537399 1 -26.4415537399 1.0999999999 0.9065400913 0.0002292695 2.22034293 0.22526689 -1.65636407 2.20050956 0.93308996 0.59122937 -2.44487816 -6.81912888 -1.38186672 -20.21561461 -23.50383078 -17.74484396 -21.47204814 -24.28032315 -30.36796145 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141517-21-7 213016 144211364 A A Trifloxystrobin FC(F)(F)c1cccc(c1)C(\C)=N\OCc2ccccc2C(=N\OC)/C(=O)OC Tox21_301047 -NCGC00015802-18 196698524 tox21-ror-cho-viability-p1 set1 -2.1 29.8492948118 -73.17214712 -1.275105948 -74.447253068 4.5044702849 0.9867616217 4.3E-9 -0.17689114 2.37834859 -0.21066245 -1.37742486 0.07192336 -2.34388906 -5.83213667 -0.9855642 -0.10228445 -1.29459814 -0.68140667 -2.78981272 -4.48513663 -13.27646403 -65.37271089 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2062-78-4 16362 170464864 A Pimozide Fc1ccc(cc1)C(CCCN2CCC(CC2)N3c4ccccc4NC3=O)c5ccc(F)cc5 Tox21_110224_1 -NCGC00162218-05 196698527 tox21-ror-cho-viability-p1 set1 4 0.08317548 2.59939872 0.33443319 -0.06292504 3.03342842 0.2686578 -0.09191439 0.17741086 0.58012264 1.25431512 2.85304437 -2.36679506 2.55870269 2.75446908 3.90290221 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15622-65-8 9883259 170465047 A Molindone hydrochloride Cl.O=C1C(CCc2nc(C)c(CC)c12)CN3CCOCC3 Tox21_110579_1 -NCGC00181341-02 196698537 tox21-ror-cho-viability-p1 set1 4 -3.65729085 -4.03019445 -5.14664604 -3.15105329 -6.51007127 -4.45311255 -6.41915658 -5.97734743 -1.70018702 -2.11344594 -1.8264088 -1.650197 -0.91668549 -1.18007019 -1.04058194 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87233-62-3 5282485 170465197 A Emedastine difumarate CN1CCCN(CC1)c3nc2ccccc2n3CCOCC.O=C(O)\C=C\C(=O)O.O=C(O)\C=C\C(=O)O Tox21_112800_1 -NCGC00255067-01 196698934 tox21-ror-cho-viability-p1 set1 4 2.78787429 2.34506892 0.06673268 0.45137801 0.40327093 0.49447792 2.96818783 3.51592369 1.14212303 2.00574321 2.04492975 2.7581059 8.19288101 6.52202978 5.41857616 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 104-45-0 7702 144211486 A Ac 4-Propylanisole COc1ccc(CCC)cc1 Tox21_301169 -NCGC00255694-01 196728849 tox21-ror-cho-viability-p1 set3 -2.1 43.2771256911 -101.3895714755 5.2869440485 -96.102627427 1.9673362061 0.9263992729 0.0000668209 1.09526303 6.88059678 -3.46869522 7.41003941 3.65497206 -0.35244272 17.86402276 16.01796265 6.84218379 -7.7794075 2.52881932 2.01493815 -5.37866789 -46.35112624 -76.39709627 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 43210-67-9 3334 144212145 A A Fenbendazole O=C(OC)Nc1nc2cc(ccc2n1)Sc3ccccc3 Tox21_301828 -NCGC00256018-01 196728431 tox21-ror-cho-viability-p1 set3 4 76.9588215421 11.1438589279 -0.1438589279 11 4.9549173134 0.4382548692 0.2381137137 -1.28814015 3.84872111 0.54720831 -0.72246604 -0.0692713 -0.51652704 4.68008543 -2.78208778 -1.16916383 0.12359919 1.00818048 -5.11988244 -1.55794275 -2.07735379 8.12088745 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-19-8 8878 144212096 A Ac Prop-2-en-1-yl heptanoate O=C(CCCCCC)OCC=C Tox21_301779 -NCGC00257536-01 196728437 tox21-ror-cho-viability-p1 set3 4 0.45259619 -2.50346322 -3.37143636 -1.41553652 2.32638333 -2.89841655 4.1035164 2.61980323 3.673737 4.10906765 -4.2022309 -5.42222197 -4.83449828 0.71279272 1.55288595 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 614-80-2 11972 144212502 A A 2-Acetamidophenol Oc1ccccc1NC(C)=O Tox21_302185 -NCGC00091759-02 196728848 tox21-ror-cho-viability-p1 set3 4 61.130564862 -14.162272804 2 -12.162272804 2.6384283767 0.5239151922 0.1587297131 4.03463078 1.6594863 8.57696362 2.88795227 0.94700527 -1.10437659 7.09050563 -0.03165665 -0.93004055 1.5671671 0.837895 0.76601504 0.59962819 -1.27563523 -8.46856067 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00256038-01 196728856 tox21-ror-cho-viability-p1 set3 4 -6.74887827 2.53484613 -1.50061076 -1.07634546 0.48104534 -0.70108429 -1.9050883 -1.87041591 -0.02820132 -2.79668482 0.04642865 -5.07238571 -0.94273004 0.36491824 1.80146544 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 599-61-1 11741 144212054 A A 3,3'-Sulphonyldianiline Nc1cc(ccc1)S(=O)(=O)c2cc(N)ccc2 Tox21_301737 -NCGC00257741-01 196729265 tox21-ror-cho-viability-p1 set3 4 48.5083571201 13.3098496159 -3.3098496159 10 0.4 0.5705610875 0.1207317505 -2.85813621 -3.41416406 -6.92487468 -0.30058391 -2.45516076 -1.26074713 0.90028393 -4.08052639 -3.59673061 1.55589722 1.0721423 -0.01579713 1.49657611 0.58165891 7.05999149 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.9479999999E-8 6.591E-8 1.474E-7 3.295E-7 7.369E-7 0.000001648 0.000003684 0.000008239 0.00001842 0.00004119 0.00009211 527-85-5 10704 144207385 A A 2-Methylbenzamide Cc1ccccc1C(=O)N Tox21_200187 -NCGC00258446-01 196729270 tox21-ror-cho-viability-p1 set3 4 13.7411171718 8.9889873319 -0.9889873319 8 2.4063783767 0.7081496516 0.0437175681 -0.30305737 0.70828591 -3.32415611 -2.74686213 -2.23094513 -0.66138681 -3.16895012 0.70532773 -0.58963337 1.26962938 -1.44547549 -1.21725744 7.64353936 6.16745443 -6.80133366 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.324E-8 2.959E-8 6.618E-8 1.4799999999E-7 3.309E-7 7.399E-7 0.0000016539999999 0.0000036989999999 0.000008272 0.0000185 0.00004136 0.00009248 31127-54-5 919792 144208090 A A 2,3,4,4'-Tetrahydroxybenzophenone Oc2ccc(C(=O)c1ccc(O)cc1)c(O)c2O Tox21_200892 -NCGC00258748-01 196730242 tox21-ror-cho-viability-p1 set3 4 -1.47136668 1.87647374 3.01935092 -0.12503623 -0.98634955 -0.41283678 2.18533115 1.42423719 2.38092929 4.07495593 1.18571653 -0.72467471 2.32923469 0.62926943 1.93554655 1.167E-9 2.6109999999E-9 5.837E-9 1.305E-8 2.919E-8 6.5259999999E-8 1.459E-7 3.2629999999E-7 7.297E-7 0.0000016319999999 0.000003648 0.0000081579999999 0.000018239999999 0.000040789999999 0.000091209999999 127-18-4 31373 144208394 Tetrachloroethylene Cl/C(Cl)=C(/Cl)Cl Tox21_201196 -NCGC00258214-01 196729427 tox21-ror-cho-viability-p1 set3 4 -0.54013417 0.70944501 -0.2856014 -2.53380119 -0.1818619 0.10125277 0.34735685 0.85719884 -1.80222673 0.70184795 -22.73098189 1.2470755 5.05387212 7.54883248 6.44181423 1.2089999999E-9 2.7039999999E-9 6.047E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.0000189 0.00004225 0.00009448 75-57-0 6379 144207858 A Tetramethylammonium chloride [Cl-].C[N+](C)(C)C Tox21_200660 -NCGC00258330-01 196729432 tox21-ror-cho-viability-p1 set3 4 0.94425297 2.06696162 0.33380693 2.22741086 1.99342333 3.75278302 1.63309503 0.52406398 1.55821022 -1.16604719 0.28774333 3.62952748 -1.58217848 -0.40434203 0.07182578 1.1919999999E-9 2.6649999999E-9 5.959E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.331E-7 7.449E-7 0.0000016659999999 0.000003725 0.0000083279999999 0.00001862 0.00004164 0.00009312 99-12-7 7426 144207974 A A 1,3-Dimethyl-5-nitrobenzene Cc1cc(C)cc(c1)[N+](=O)[O-] Tox21_200776 -NCGC00258589-01 196729834 tox21-ror-cho-viability-p1 set3 4 -2.23733286 2.49048943 -0.29143266 -0.10277806 0.78977609 -0.49419956 0.15951608 0.43623455 3.78849957 1.80329721 1.76526537 4.41469819 1.28342885 1.79488862 1.12336613 1.182E-9 2.6429999999E-9 5.91E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.304E-7 7.387E-7 0.0000016519999999 0.0000036939999999 0.000008259 0.000018469999999 0.000041299999999 0.00009234 540-51-2 10898 144208234 AC Bc 2-Bromo-1-ethanol BrCCO Tox21_201036 -NCGC00258561-01 196730241 tox21-ror-cho-viability-p1 set3 4 0.25653408 -0.60314326 -0.20807677 0.06823429 2.09951155 -0.72263091 -1.69745732 0.17891436 1.99576759 2.27816094 0.28913272 7.58068636 1.82945045 0.1111277 0.78167011 1.1689999999E-9 2.6129999999E-9 5.844E-9 1.3069999999E-8 2.922E-8 6.5339999999E-8 1.461E-7 3.267E-7 7.305E-7 0.0000016329999999 0.000003652 0.000008167 0.00001826 0.000040829999999 0.000091309999999 120-37-6 8428 144208206 A D 3-Ethylamino-4-methylphenol Oc1ccc(C)c(NCC)c1 Tox21_201008 -NCGC00258143-01 196730255 tox21-ror-cho-viability-p1 set3 4 0.8626141268 -7.253246568 0 -7.253246568 1.4163171 0.6332458369 0.0878807673 0.32223852 -0.91666265 -0.95023662 0.38905287 0.40321823 0.56481043 -1.9774711 0.0464574 -6.28195745 -0.59184396 -9.07178097 -9.79437214 -7.71806204 -3.21519982 2.42388371 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.00001842 0.0000412 0.00009212 342789-81-5 11492381 144207787 A A 1-Butyl-3-methylimidazolium methanesulfonate CCCCn1cc[n+](C)c1.[O-]S(C)(=O)=O Tox21_200589 -NCGC00257784-01 196716462 tox21-ror-cho-viability-p1 set2 4 3.42542653 -0.10817154 2.84793607 2.85651995 3.69606997 3.39606973 0.38861699 2.69826259 5.18543941 0.03121657 2.77577283 3.31371265 0.05762806 -0.88932484 0.14990244 1.224E-9 2.7369999999E-9 6.1199999999E-9 1.3679999999E-8 3.0599999999E-8 6.8419999999E-8 1.5299999999E-7 3.421E-7 7.649E-7 0.00000171 0.000003825 0.0000085519999999 0.00001912 0.00004276 0.00009562 1453-82-3 15074 144207428 A A Isonicotinamide NC(=O)c1ccncc1 Tox21_200230 -NCGC00258346-01 196716052 tox21-ror-cho-viability-p1 set2 4 2.18915223 2.40612075 4.98899609 0.20587501 4.35450011 5.71893583 1.73763502 5.37477034 4.59996203 3.00868242 4.35993368 4.44852579 0.9891563 2.6429407 2.51994633 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.9369999999E-8 6.568E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.000003672 0.00000821 0.000018359999999 0.000041049999999 0.00009179 996-35-0 70452 144207990 FNS Dimethylisopropylamine CC(C)N(C)C Tox21_200792 -NCGC00258335-01 196716461 tox21-ror-cho-viability-p1 set2 4 27.9459419698 8.1011482039 -2.1011482039 6 1.8616924601 0.5082936343 0.1927955276 -1.15714042 -1.80229703 -6.33429017 -0.9437459 -0.95091583 -1.37995317 -2.11103435 -5.76632335 -1.86296854 -1.01457601 -1.10955818 -1.30828286 0.39810786 3.82296996 -2.78249756 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.346E-8 3.009E-8 6.728E-8 1.504E-7 3.3639999999E-7 7.522E-7 0.000001682 0.000003761 0.0000084099999999 0.0000188 0.000042049999999 0.00009402 29911-28-2 24752 144207979 A A 1-(2-Butoxy-1-methylethoxy)propan-2-ol OC(C)COC(C)COCCCC Tox21_200781 -NCGC00257783-01 196716472 tox21-ror-cho-viability-p1 set2 4 0.21901376 3.00256076 0.98082767 0.24112104 -0.20349276 6.04917713 1.31606304 2.84505014 4.20566563 2.23222483 5.23307244 4.14609539 0.20636985 -0.46451437 0.27544171 1.1679999999E-9 2.612E-9 5.8409999999E-9 1.3059999999E-8 2.92E-8 6.53E-8 1.4599999999E-7 3.265E-7 7.3009999999E-7 0.0000016329999999 0.0000036509999999 0.000008163 0.00001825 0.00004081 0.00009126 3054-95-3 62477 144207427 FNS Acrolein diethylacetal C=CC(OCC)OCC Tox21_200229 -NCGC00258386-01 196716476 tox21-ror-cho-viability-p1 set2 4 1.48468556 3.30008254 0.03760596 1.53541849 2.22542081 1.78585592 0.87793254 1.34957459 2.50954892 -3.33229604 2.15765377 2.83979217 0.05735631 -4.55179194 -1.21580372 1.1859999999E-9 2.653E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001854 0.00004145 0.00009268 622-51-5 12148 144208030 A A p-Tolylurea O=C(N)Nc1ccc(C)cc1 Tox21_200832 -NCGC00016798-11 196716890 tox21-ror-cho-viability-p1 set2 4 0.55536569 -4.51606769 -4.43143997 -5.78838201 -2.90506866 -2.83237808 2.30535599 -1.02819254 -3.31459846 -7.78626162 -1.84594257 -7.71584227 -4.62328013 -3.31501856 -4.63351983 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26839-75-8 33624 170465062 A (S)-Timolol O[C@H](COc1nsnc1N2CCOCC2)CNC(C)(C)C Tox21_110614_1 -NCGC00178069-05 196716896 tox21-ror-cho-viability-p1 set2 4 -8.38738771 -16.57100519 -13.33234019 -17.28572119 -7.05178919 -8.87203823 -1.35118456 -7.35284731 -1.07229073 -8.60457142 -7.72012959 -8.63803141 -10.42537315 -11.24602083 -15.35788102 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14984-68-0 161104 170465832 A Cloperastine hydrochloride Cl.Clc1ccc(cc1)C(OCCN2CCCCC2)c3ccccc3 Tox21_110575_1 -NCGC00254957-01 196714826 tox21-ror-cho-viability-p1 set2 4 43.2771256911 -18.279508068 1 -17.279508068 3.1319983358 0.8253248697 0.0044918031 1.34457064 0.54986479 0.54717459 0.13303302 2.35641631 -0.51090825 -0.65125473 0.83394053 1.21278557 0.56235099 -1.41399355 7.75829314 1.40223317 -8.14725268 -15.23292339 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 489-01-0 10269 144211372 A Ac 2,6-Di-tert-butyl-4-methoxyphenol CC(C)(C)c1cc(cc(c1O)C(C)(C)C)OC Tox21_301055 -NCGC00254640-01 196714001 tox21-ror-cho-viability-p1 set2 4 -1.09394106 -7.11112241 -3.05111878 -9.7464509 -4.67109265 -1.42499084 -6.52711857 -4.69302262 -7.58832287 -2.67986661 -3.13365952 -4.76053412 -9.85787084 -5.97442076 -1.20621663 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10319-14-9 25152 144211051 Cc Fc C.I. Disperse Yellow 64 O=C4c1ccccc1C(=O)C4c2nc3ccccc3c(Br)c2O Tox21_300734 -NCGC00254265-01 196714002 tox21-ror-cho-viability-p1 set2 4 -1.73031097 -2.07137649 -1.39773217 -0.03788396 -2.85662616 -6.89865848 -2.17995323 -12.01810261 -0.20084947 -1.62826266 -1.12533464 -5.41014022 -8.73523723 -7.93816358 -7.05702038 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144210645 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_300327 -NCGC00254619-01 196714418 tox21-ror-cho-viability-p1 set2 4 -7.37512419 -11.71879463 -6.17292675 -17.25006654 -10.60093233 -13.01348944 -9.56296564 -13.08625826 -0.90850189 -15.03211031 -6.89072035 -1.02667626 -8.02512027 -12.18394246 -14.7309644 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15972-60-8 2078 144211030 A A Alachlor ClCC(=O)N(COC)c1c(cccc1CC)CC Tox21_300713 -NCGC00095042-06 196714833 tox21-ror-cho-viability-p1 set2 4 -0.16910075 -4.8227817 -3.85241004 -1.47932575 -6.81321211 -6.81683692 -8.2096634 -3.84676904 -8.8292563 -5.78098278 -3.78177246 -6.03211348 -4.2425628 -2.55843724 -0.94424213 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00254061-01 196714834 tox21-ror-cho-viability-p1 set2 4 2.34816387 0.95059118 0.84343815 0.05835665 3.29334019 0.06114397 -0.58388624 1.54258554 0.88390272 3.30756696 -0.70807358 2.37741253 3.48442604 -1.79850936 4.20851675 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-42-2 8113 144210354 Fns Diethanolamine OCCNCCO Tox21_300034 -NCGC00258592-01 196729557 tox21-ror-cho-viability-p1 set3 4 0.39168236 1.7854767 0.49720487 0.17151452 1.44658007 0.37390075 1.71617173 1.5629596 0.34395997 3.51024867 1.40560859 -0.31454337 1.86063858 2.32366053 3.86345788 1.156E-9 2.586E-9 5.7819999999E-9 1.293E-8 2.891E-8 6.465E-8 1.446E-7 3.232E-7 7.228E-7 0.000001616 0.0000036139999999 0.000008081 0.000018069999999 0.0000404 0.000090349999999 145022-44-2 2758874 144208237 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate C[n+]1ccn(CC)c1.FC(F)(F)S([O-])(=O)=O Tox21_201039 -NCGC00255326-01 196729141 tox21-ror-cho-viability-p1 set3 -1.1 1.0870722482 -87.1182525181 -4.4533569396 -91.5716094577 2.4063783767 0.8507726694 0.0021934211 -0.91016211 -7.97726248 -19.66427564 -2.58002297 -4.02368089 -12.76190818 -1.75350037 -12.02622308 10.26150687 -97.58673535 -101.07241662 -58.79355625 -86.89939583 -94.49445715 -100.65142473 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17824-83-8 87323 144211559 A 3,4,5,6-Tetrachloro-2-pyridinecarbonitrile Clc1c(Cl)c(C#N)nc(Cl)c1Cl Tox21_301242 -NCGC00258246-01 196729537 tox21-ror-cho-viability-p1 set3 -2.4 61.1927368097 -36.437443172 1 -35.437443172 2.3531167061 0.9375331967 0.0000282024 -2.15828448 -0.23963952 2.93067212 1.97341579 1.25721031 1.30114081 0.63874663 3.46931451 3.60949883 1.72442166 -1.24189977 -0.70664019 -4.38595085 -8.58444264 -26.19786931 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.476E-7 3.3009999999E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008253 0.00001846 0.00004127 0.000092279999999 95-84-1 7264 144207890 A A 2-Amino-4-methylphenol Cc1ccc(O)c(N)c1 Tox21_200692 -NCGC00258395-01 196729541 tox21-ror-cho-viability-p1 set3 4 0.28674346 3.20910192 2.37301005 0.7928644 -2.22407469 4.01883165 0.91528108 -2.22758714 4.11675319 3.87131264 1.9893303 3.9702695 -0.22972669 0.17517376 0.29738941 1.1609999999E-9 2.5959999999E-9 5.805E-9 1.298E-8 2.903E-8 6.4899999999E-8 1.451E-7 3.245E-7 7.256E-7 0.000001623 0.000003628 0.0000081129999999 0.00001814 0.00004056 0.000090709999999 79-22-1 6586 144208039 D Methyl chlorocarbonate ClC(=O)OC Tox21_200841 -NCGC00166006-02 196704677 tox21-ror-cho-viability-p1 set1 4 -7.39932246 -0.42821308 -0.12196921 0.74523503 -0.23963875 -2.94574394 2.42502726 -7.69431914 0.25569076 -4.85699666 -3.9706542 -5.18990252 -2.08378552 -0.27608585 0.40778134 5.899E-12 1.319E-11 2.949E-11 6.595E-11 1.475E-10 3.2969999999E-10 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 56-89-3 67678 170465457 F L-Cystine N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O Tox21_112162_1 -NCGC00016000-13 196704270 tox21-ror-cho-viability-p1 set1 -1.1 0.7876236585 -74.8986915945 7.1413760439 -67.7573155506 0.4999999999 0.8502737006 0.0022278393 -0.61939665 -1.49133125 -0.60088922 1.00763717 1.71788629 -0.39241919 -10.30306366 -31.09535553 -39.10420782 -42.45674669 -42.64268524 -42.53769399 -51.07123726 -40.08004116 -86.86835327 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00015257-14 196704275 tox21-ror-cho-viability-p1 set1 4 -3.86860905 0.8496442 -2.60484267 -0.57752856 -1.70397974 -3.30142885 -0.16551568 -0.53244076 -0.55199682 -3.55936146 0.08032638 1.43971721 -3.66808889 0.46126148 0.61533053 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 637-07-0 2796 170465329 F Clofibrate Clc1ccc(OC(C)(C)C(=O)OCC)cc1 Tox21_110116_1 -NCGC00160677-02 196704279 tox21-ror-cho-viability-p1 set1 4 0.14402056 2.10303094 0.54186465 -3.38516974 3.51175661 1.46558506 -0.01683159 -0.62278834 -0.79123176 3.57614936 0.62996839 1.42191873 -3.18490929 0.16852348 1.37713059 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 968-61-6 68943 170466198 A Butinoline OC(C#CCN1CCCC1)(c2ccccc2)c3ccccc3 Tox21_111980_1 -NCGC00181111-02 196704683 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -22.2305279 2 -20.2305279 4.9549173134 0.7794317323 0.0119678203 3.37271528 -0.08754113 5.68318206 0.79912818 0.23683722 2.29271035 0.97227238 1.0700082 -4.80003743 3.13945842 2.26438566 3.25431304 5.45759176 2.01039693 -16.85877325 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94497-51-5 108143 170465883 A Tamibarotene O=C(O)c1ccc(cc1)C(=O)Nc2ccc3c(c2)C(C)(C)CCC3(C)C Tox21_112725_1 -NCGC00024885-03 196704688 tox21-ror-cho-viability-p1 set1 4 -6.03836117 0.58404328 -4.77355749 -7.9577753 -1.35971143 1.43995731 -6.75181424 1.8003862 0.13662871 -0.40280796 1.24289768 -1.24900079 -0.29841147 1.20761743 0.79011545 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58493-49-5 5311093 170466401 A Olvanil Oc1ccc(cc1OC)CNC(=O)CCCCCCC/C=C\CCCCCCCC Tox21_110935_1 -NCGC00015451-05 196704689 tox21-ror-cho-viability-p1 set1 4 0.14622415 0.38650334 4.83008982 -1.29691682 -0.58882843 -0.39047416 0.26622233 0.48850744 -3.32129026 -2.89212298 4.924831 -3.57813391 -4.49323667 -0.01291659 0.20945015 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 75507-68-5 6435335 170466246 A Flupirtine maleate Nc1nc(ccc1NC(=O)OCC)NCc2ccc(F)cc2.O=C(O)/C=C\C(=O)O Tox21_111232_1 -NCGC00091532-04 196705511 tox21-ror-cho-viability-p1 set1 -2.2 61.8773215692 -48.106144853 -1.523278243 -49.629423096 2.1876167061 0.915376901 0.0001383078 -0.2297265 0.42104179 -4.77736642 0.30394407 -1.00903818 -3.90064333 -2.78679903 -6.79130339 -0.51553562 2.18270252 2.63473463 -0.22227656 -9.54928576 -14.10242081 -37.5980478 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00256934-01 196707160 tox21-ror-cho-viability-p1 set1 4 15.3553036427 8.2767798119 -2.2767798119 6 1.713743691 0.4172478992 0.2565881639 -0.77490771 -4.60860261 0.19030641 -3.33925279 2.11337722 -0.22516653 -0.59237706 -2.37904262 -11.89731651 -4.70272608 0.56241635 0.78778161 0.82208579 5.94157952 5.13093936 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5419-55-6 21531 144213446 F F Triisopropyl orthoborate CC(C)OB(OC(C)C)OC(C)C Tox21_303129 -NCGC00259052-01 196708799 tox21-ror-cho-viability-p1 set2 4 5.89697459 -1.44416697 2.25405823 -0.26498892 0.92726486 3.93529916 0.06751504 2.87329457 2.6742812 2.26441277 2.17368853 1.15449434 0.82624463 5.06513286 6.37580795 1.1529999999E-9 2.5769999999E-9 5.7629999999E-9 1.289E-8 2.8809999999E-8 6.443E-8 1.441E-7 3.221E-7 7.203E-7 0.000001611 0.0000036019999999 0.000008054 0.00001801 0.00004027 0.00009004 95-14-7 7220 144208699 A A 1,2,3-Benzotriazole c1cccc2nnnc12 Tox21_201501 -NCGC00259740-01 196708805 tox21-ror-cho-viability-p1 set2 4 -1.07048342 -2.00950122 -0.37902845 -13.92105359 -1.30011283 -2.11948983 -2.30843876 -0.99697813 -2.25741364 -2.03033236 -1.04403251 -2.24868829 -0.02602507 -1.01230749 1.3055372 1.1469999999E-9 2.564E-9 5.733E-9 1.282E-8 2.867E-8 6.41E-8 1.433E-7 3.205E-7 7.1659999999E-7 0.000001602 0.000003583 0.000008012 0.00001792 0.00004006 0.000089579999999 98-01-1 7362 144209389 AC Ac Furfural O=Cc1ccco1 Tox21_202191 -NCGC00259065-01 196709202 tox21-ror-cho-viability-p1 set2 4 55.2592762104 -13.394664172 0.5 -12.894664172 3.9899729863 0.8418321178 0.0029368974 0 0.31944 -0.55619616 1.5014915 0.02110528 -0.32669706 -0.36496337 -0.47242049 -0.13903436 -2.17030046 2.85307888 0.10235199 3.01914156 -3.18400832 -11.57888681 1.194E-9 2.6689999999E-9 5.968E-9 1.3339999999E-8 2.9839999999E-8 6.672E-8 1.4919999999E-7 3.3359999999E-7 7.4599999999E-7 0.000001668 0.00000373 0.00000834 0.00001865 0.0000417 0.000093249999999 98-52-2 7391 144208713 A A 4-tert-Butylcyclohexanol CC(C)(C)C1CCC(O)CC1 Tox21_201515 -NCGC00258789-01 196706750 tox21-ror-cho-viability-p1 set1 4 6.9357609116 -7.051334868 1.5 -5.551334868 2.9522712143 0.344122114 0.3425829468 4.19130308 5.21754399 1.99544727 2.24964687 -3.95026705 -2.56731084 -5.65338216 1.15520305 5.8954157 5.32083969 0.03185717 -3.28833736 -3.23442743 -7.12611239 -0.94746427 1.191E-9 2.664E-9 5.9569999999E-9 1.332E-8 2.979E-8 6.66E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.0000037229999999 0.000008326 0.00001862 0.00004163 0.00009308 94-80-4 7206 144208435 A A 2,4-D 1-butyl ester Clc1cc(Cl)ccc1OCC(=O)OCCCC Tox21_201237 -NCGC00259682-01 196706755 tox21-ror-cho-viability-p1 set1 4 -0.50130889 0.30403841 -2.40043522 1.37310105 1.57648827 1.3237681 -3.25854339 0.63101902 0.57308659 0 0.44007185 -1.28984197 -0.45699172 1.85503235 -1.14675396 1.1389999999E-9 2.5469999999E-9 5.6959999999E-9 1.2739999999E-8 2.8479999999E-8 6.369E-8 1.424E-7 3.184E-7 7.1199999999E-7 0.000001592 0.00000356 0.000007961 0.0000178 0.0000398 0.000089 7775-09-9 516902 144209331 Sodium chlorate [Na+].[O-]Cl(=O)=O Tox21_202133 -NCGC00256563-01 196707156 tox21-ror-cho-viability-p1 set1 4 1.25910293 0.44574345 1.67466625 0.99214504 -0.34483673 2.04834869 1.08754909 1.8454534 2.88182103 2.11474913 -6.98021759 1.99295854 3.75127998 1.07500819 1.0077037 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-15-3 7005 144213085 A A 1-Naphthol Oc2cccc1ccccc12 Tox21_302768 -NCGC00257264-01 196707568 tox21-ror-cho-viability-p1 set1 4 27.3060203028 -9.200682796 0.5 -8.700682796 4.9549173134 0.4843441142 0.2119638299 -3.72657659 0.93436929 0.91535023 -1.87662425 3.51586609 -3.10412483 3.678214 0.00350422 3.81045635 1.75418695 1.51309037 -1.15242504 0.0654611 -8.08390233 5.92185381 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-93-2 7269 144213819 A Ac 1,2,4,5-Tetramethylbenzene Cc1cc(C)c(C)cc1C Tox21_303511 -NCGC00091499-05 196707571 tox21-ror-cho-viability-p1 set1 4 2.83357601 0.21953327 2.99414528 1.70012023 1.60956109 2.73083559 -0.24281839 2.33934929 1.93149849 0.30341091 3.80680324 0.59786598 -0.43636148 0.85863665 9.87575617 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00256640-01 196707582 tox21-ror-cho-viability-p1 set1 4 -8.82265758 -2.23966578 0.36072255 -4.04826476 -1.57324483 -8.30972795 -1.52127483 -1.36561394 -1.34851545 -1.59625755 0.05618513 -1.0973758 -7.12918008 -7.63100668 -3.75264791 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17209-72-2 96132 144213923 F Fns 3-[Bis(2-hydroxyethyl)amino]propanenitrile OCCN(CCC#N)CCO Tox21_303618 -NCGC00256709-01 196707583 tox21-ror-cho-viability-p1 set1 4 -14.69813657 -21.39979426 -20.42180296 -16.39923595 -17.92430565 -17.97002777 -20.88710644 -18.56844405 -25.33294235 -23.60137211 -23.80036324 -14.87149268 -20.46277633 -14.3649479 -16.10963886 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1524-88-5 15209 144212928 A A Flurandrenolide OCC(=O)[C@@]54OC(C)(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3C[C@H](F)C1=CC(=O)CC[C@@]12C Tox21_302611 -NCGC00256701-01 196707978 tox21-ror-cho-viability-p1 set1 4 -13.34016429 -7.48630458 -11.15733241 -16.71000855 -8.45051541 -15.52332839 -17.15942609 -13.69036216 -20.15386254 -17.70511295 -13.08802326 -12.65431088 -15.40325088 -10.04889133 -8.83182205 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2592-95-2 75771 144212797 A A 1H-Benzotriazol-1-ol On2nnc1ccccc12 Tox21_302480 -NCGC00256995-01 196707984 tox21-ror-cho-viability-p1 set1 4 -15.94999094 -8.11789891 -8.40227432 -14.11161887 -13.45374542 -13.27550401 -7.52660453 -14.91670303 -19.07226761 -9.73104895 -6.90852666 -11.55925077 -11.05797794 -10.76833107 -8.26318126 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-32-7 7924 144213531 A Propylene carbonate O=C1OCC(C)O1 Tox21_303214 -NCGC00253944-01 196719766 tox21-ror-cho-viability-p1 set3 4 0.0034376243 15.544775952 -16.044775952 -0.5 0.7999999999 0.7924406765 0.0094165979 -11.28704691 -11.70397996 -4.46009169 -1.1336148 -4.72835131 -5.49812021 -1.09327358 -2.20206122 -0.70439907 0.19971379 0.38204672 0.16345269 -1.68508162 -0.30330751 1.08941754 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-88-0 7896 144210405 A A 1,3-Butanediol CC(O)CCO Tox21_300085 -NCGC00254747-01 196720582 tox21-ror-cho-viability-p1 set3 4 30.6378586933 -19.8564102839 9 -10.8564102839 2.6384283767 0.474203983 0.2015397372 -1.77142934 13.73922033 16.46652001 8.44023985 11.68938959 -2.55384674 2.06472455 10.70402419 16.03970866 11.70145175 7.58597225 14.42038069 -0.01654003 -1.50606713 -11.54700857 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124495-18-7 3391107 144211161 A A Quinoxyfen Fc1ccc(cc1)Oc2ccnc3cc(Cl)cc(Cl)c23 Tox21_300844 -NCGC00259517-01 196720977 tox21-ror-cho-viability-p1 set3 4 -12.66616456 2.23675795 -1.91691152 -8.04986384 0.18147547 -1.08914482 -2.10287346 0.6070962 -0.66619016 1.3985112 0.52917688 0.19463874 -9.82678693 -0.25374025 0.3569017 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.000041259999999 0.000092249999999 114-26-1 4944 144209166 A A Propoxur CC(C)Oc1ccccc1OC(=O)NC Tox21_201968 -NCGC00259786-01 196720984 tox21-ror-cho-viability-p1 set3 4 -19.53703671 -1.34075556 -11.4159934 -2.67638516 -7.49253112 -1.54669629 -8.98290531 -11.48575615 -0.91848261 -2.27940708 -5.36582505 -12.31983787 -9.61284459 0.52835621 2.53340886 1.191E-9 2.663E-9 5.954E-9 1.331E-8 2.977E-8 6.657E-8 1.489E-7 3.3289999999E-7 7.4429999999E-7 0.0000016639999999 0.000003721 0.0000083209999999 0.00001861 0.000041609999999 0.00009304 108-42-9 7932 144209435 A A 3-Chloroaniline Nc1cc(Cl)ccc1 Tox21_202237 -NCGC00091210-02 196719364 tox21-ror-cho-viability-p1 set2 -2.4 38.5707788719 -23.460543164 -3.5 -26.960543164 1.9673362061 0.8688565155 0.0012124524 0.0792919 -4.28530192 -1.83336262 -5.91995662 -6.88472381 -7.98991439 -3.40217089 -1.40671009 -3.30542264 -1.45076557 -1.3964996 -3.02407592 -8.88072316 -14.66773105 -24.13378597 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00090780-04 196719757 tox21-ror-cho-viability-p1 set3 4 4.25518126 0.29614103 5.86634604 1.09214755 -2.7261384 2.75915357 4.04960548 8.26309693 -0.77020248 3.75980568 -1.21233653 -1.68039593 15.98442748 2.16105474 -0.37555456 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00253954-01 196719761 tox21-ror-cho-viability-p1 set3 4 2.7306020303 -12.417461204 3 -9.417461204 4.9549173134 0.7529646424 0.0186542058 -0.85504459 -6.56890738 3.65333913 5.55228429 1.56915697 2.87353913 4.71648822 5.32973578 5.98243817 5.17178474 -9.24938469 -8.87444245 -8.21445553 -9.02830237 -9.93121767 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-01-1 7362 144210490 AC Ac Furfural O=Cc1ccco1 Tox21_300170 -NCGC00254468-01 196719772 tox21-ror-cho-viability-p1 set3 4 9.6885416101 -21.1944740719 10 -11.1944740719 0.5 0.5144100902 0.165529174 15.72266991 16.53162866 1.5381361 -0.76820765 16.16112031 10.68751263 -0.40479377 6.27417911 10.10624315 6.5035731 0.18580403 1.5161376 -3.63563152 -4.97417889 -5.99539506 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-33-5 1183 144210670 A A 4-Hydroxy-3-methoxybenzaldehyde Oc1ccc(cc1OC)C=O Tox21_300352 -NCGC00254425-01 196719774 tox21-ror-cho-viability-p1 set3 4 0.685896219 -7.350307484 7.5 0.149692516 2.1210667061 0.4551052157 0.2200664568 -1.2664349 4.98384265 7.87139292 8.46323363 9.98721707 14.70431543 10.07557196 5.59330669 2.38449167 3.65409373 -1.75229081 6.07783189 -1.95858957 -0.52052454 -1.57298568 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-87-6 7463 144210656 FC p-Cymene Cc1ccc(cc1)C(C)C Tox21_300338 -NCGC00254515-01 196719779 tox21-ror-cho-viability-p1 set3 4 6.1130564862 9.2781536559 -0.2781536559 9 4.5044702849 0.5630911026 0.1252797444 -1.52785831 -4.92039668 0.96976627 5.98692388 3.29025452 -4.29091425 -6.89846138 3.48601812 2.94599703 -2.28089204 0.37800599 6.99462947 7.46713341 10.72930856 8.16168599 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5216-25-1 21277 144210877 A D 4-Chlorobenzotrichloride ClC(Cl)(Cl)c1ccc(Cl)cc1 Tox21_300560 -NCGC00254954-01 196719782 tox21-ror-cho-viability-p1 set3 4 -0.69182476 -2.63903436 2.54323247 1.04258886 0.09141294 0.38833692 0.82265073 -0.31726803 2.1037138 1.62738403 -0.04645507 2.08924314 0.8727422 0.82183292 1.91212069 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 74051-80-2 52923 144211369 A D Sethoxydim CCC\C(=N\OCC)C1=C(O)CC(CC(C)SCC)CC1=O Tox21_301052 -NCGC00254034-01 196720198 tox21-ror-cho-viability-p1 set3 4 61.130564862 13.459060828 -3.459060828 10 4.0949729863 0.5267357561 0.1561711469 1.04022369 -7.88255069 -1.37124981 1.62769027 -4.94772722 -5.81727946 -4.05702589 -1.5010488 -6.51179549 -6.3195513 -4.8623865 -1.28534282 -2.1593558 -1.18725338 7.82629954 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-78-2 2244 144210466 A Fc Aspirin O=C(C)Oc1ccccc1C(=O)O Tox21_300146 -NCGC00256931-01 196727655 tox21-ror-cho-viability-p1 set3 4 2.81639588 2.40171238 2.64573396 3.69892994 3.38095731 -1.22668753 2.87739938 2.40722223 1.97068713 1.63724662 0.37481581 -0.72132943 0.60065212 -0.56267673 2.97617588 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-52-2 7391 144213407 A A 4-tert-Butylcyclohexanol CC(C)(C)C1CCC(O)CC1 Tox21_303090 -NCGC00257343-01 196727230 tox21-ror-cho-viability-p1 set3 -2.1 13.6854287769 -89.7847849592 3.634521184 -86.1502637752 2.4063783767 0.9810083695 1.356E-7 0.05941519 -0.57616652 -0.89044716 -0.94903493 3.18904771 4.73136249 8.02907346 6.31188322 4.71175839 4.36406603 0.52472562 -9.54925219 -60.94885989 -79.28050286 31.5478249 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 705-60-2 1549520 144213915 A A (2-Nitro-1-propenyl)benzene C\C(=C/c1ccccc1)[N+]([O-])=O Tox21_303610 -NCGC00256802-01 196727231 tox21-ror-cho-viability-p1 set3 4 -0.31012922 0.64668296 0.67205602 -4.74746864 1.05270171 -0.48241016 2.65794355 4.21316562 3.27179877 -0.28585122 0.10112956 0.28066093 1.28521445 3.1862218 3.90108895 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65416-14-0 3354132 144212918 A F Maltol isobutyrate O=C1C=COC(C)=C1OC(=O)C(C)C Tox21_302601 -NCGC00255612-01 196728055 tox21-ror-cho-viability-p1 set3 4 0.30394242 4.50870469 -1.51833384 -0.15413456 3.35065894 1.92689973 -2.04216204 0.69150485 1.50325578 -0.20243656 1.78340989 -1.82460815 1.34634859 1.55444906 -0.1390304 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7646-85-7 5727 144211809 Zinc chloride Cl[Zn]Cl Tox21_301492 -NCGC00256168-01 196728059 tox21-ror-cho-viability-p1 set3 4 7.6958821542 -12.9879203359 4.5 -8.4879203359 3.9899729863 0.6542231752 0.061704163 -1.46885301 13.62816053 3.04661315 1.22320995 5.36633685 5.3447782 3.41601894 2.95115961 5.18279701 3.98952136 3.46867023 -2.88507493 -10.10565041 -1.91771132 -12.90660028 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 116-81-4 22628 144212069 1-Amino-4-bromo-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid O=S(=O)(O)c3cc(Br)c2c(C(=O)c1ccccc1C2=O)c3N Tox21_301752 -NCGC00255904-01 196728064 tox21-ror-cho-viability-p1 set3 4 3.04515918 -0.83159768 -3.93532572 4.98792059 -2.84283561 3.7030264 0.88419952 -3.18963796 -3.15708682 3.22928961 -1.68318923 3.56141495 -3.81846032 -2.96882775 2.52903559 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68039-49-6 93375 144211961 Cc 2,4-Dimethylcyclohex-3-ene-1-carbaldehyde CC1C=C(C)CCC1C=O Tox21_301644 -NCGC00356947-01 196724816 tox21-ror-cho-viability-p1 set3 4 0.0030637859 23.618645112 -22.618645112 1 0.3 0.501295232 0.1774520253 -17.18220426 -5.3958612 -9.40351476 -8.9962449 -7.23128776 -6.96746117 0.42928726 -8.0337472 -8.65519248 2.01003244 3.27548129 0.14515078 -8.24338553 -0.21280315 4.06099699 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6440-58-0 22947 251919728 F 1,3-Dimethylol-5,5-dimethylhydantoin CC1(C)C(=O)N(CO)C(=O)N1CO Tox21_303842 -NCGC00260129-01 196724805 tox21-ror-cho-viability-p1 set3 4 0.2448508561 -5.9851931479 -1 -6.9851931479 2.3331733767 0.4210284444 0.2528133576 -3.249262 -2.40438559 1.6311792 -3.45922584 2.96192707 -2.39115233 -2.68737997 -2.98602258 -12.07099429 -5.25891404 -5.36327882 -9.53336555 0.3807968 -11.98092179 -7.17922869 1.1859999999E-9 2.6519999999E-9 5.9309999999E-9 1.326E-8 2.9649999999E-8 6.6309999999E-8 1.4829999999E-7 3.315E-7 7.4129999999E-7 0.0000016579999999 0.000003707 0.000008288 0.00001853 0.000041439999999 0.000092669999999 7720-78-7 24393 144209778 Iron(II) sulfate [Fe+2].[O-]S([O-])(=O)=O Tox21_202580 -NCGC00259230-01 196724811 tox21-ror-cho-viability-p1 set3 -3 60.447370484 -43.9989224008 0.7922461529 -43.2066762479 4.0449729863 0.8604540155 0.001614032 5.93611707 -1.91779348 -8.41523374 4.94413879 0.13655845 -0.04173826 -5.69638806 1.78335804 3.14742084 1.24603205 1.05640531 5.30679168 -0.13708797 -7.14932306 -36.1414214 1.1689999999E-9 2.614E-9 5.8459999999E-9 1.3069999999E-8 2.9229999999E-8 6.536E-8 1.461E-7 3.268E-7 7.3069999999E-7 0.0000016339999999 0.0000036539999999 0.00000817 0.00001827 0.00004085 0.00009134 82-28-0 6702 144208879 A A 1-Amino-2-methylanthraquinone O=C3c1ccccc1C(=O)c2c3ccc(C)c2N Tox21_201681 -NCGC00357016-01 196724813 tox21-ror-cho-viability-p1 set3 4 0.0015355304 12.796847612 -12.796847612 0 4.9549173134 0.5601694281 0.1442975882 -10.24737301 -0.60179769 0.1437763 -5.51157819 -3.91764372 1.15226876 -2.85097081 -0.83645929 0.50308807 1.45988507 1.75553779 2.53776292 1.86518939 1.66796416 -4.8646639 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-16-3 8166 251919787 F Dodecanoyl chloride ClC(=O)CCCCCCCCCCC Tox21_303812 -NCGC00259459-01 196724822 tox21-ror-cho-viability-p1 set3 -1.1 3.4306336922 -93.4763517199 1.6176131479 -91.858738572 0.5 0.8572547634 0.0017882237 -11.21894751 -0.74730616 -0.45711462 -4.47714181 -2.85762611 2.27491971 -2.15189941 -25.70111621 -52.19195052 -43.47206779 -20.87625141 -55.42141123 -66.27495295 -76.2349171 -76.54894881 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.586E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009204 137-30-4 8722 144209108 FNS Ziram [Zn+2].S=C([S-])N(C)C.CN(C)C([S-])=S Tox21_201910 -NCGC00260282-01 196724823 tox21-ror-cho-viability-p1 set3 4 1.3366211583 -7.0548183439 3.5 -3.5548183439 1.4780888099 0.3124606449 0.3720459369 -4.45389118 3.06833214 2.40512633 6.12395166 0.06673903 5.31994871 6.21240118 8.6739219 3.95609403 0.76099174 -1.19993907 3.17231187 -6.71234862 -1.70862921 2.5507807 3.02E-10 6.752E-10 1.51E-9 3.376E-9 7.549E-9 1.688E-8 3.774E-8 8.44E-8 1.887E-7 4.2199999999E-7 9.436E-7 0.0000021099999999 0.0000047179999999 0.00001055 0.00002359 294-62-2 9268 144209932 Fns Cyclododecane C1CCCCCCCCCCC1 Tox21_202734 -NCGC00258590-01 196715378 tox21-ror-cho-viability-p1 set2 4 -0.61546212 -0.63008542 -1.39452646 -1.2055183 2.5718265 1.84542523 0.95729257 1.34595491 2.0564262 -2.5314052 0.4037541 0.52572804 0.49845296 1.62116897 1.49847132 1.1699999999E-9 2.617E-9 5.852E-9 1.3079999999E-8 2.926E-8 6.542E-8 1.463E-7 3.271E-7 7.315E-7 0.0000016359999999 0.000003657 0.000008178 0.00001829 0.000040889999999 0.00009143 142-96-1 8909 144208235 FNS Butyl ether CCCCOCCCC Tox21_201037 -NCGC00258594-01 196715386 tox21-ror-cho-viability-p1 set2 4 60.013278633 -18.443525112 1 -17.443525112 3.6272481694 0.8152196704 0.0057596583 1.69814148 3.95129738 0.2335718 0.60611783 -0.08302721 5.37352382 -1.40004321 -1.5109445 1.31913539 0.72515031 0.23876938 0.42511904 -1.35703953 -2.30825975 -14.11960426 1.162E-9 2.599E-9 5.812E-9 1.2999999999E-8 2.9059999999E-8 6.4979999999E-8 1.453E-7 3.249E-7 7.265E-7 0.000001625 0.0000036329999999 0.0000081229999999 0.00001816 0.00004061 0.000090819999999 63213-29-6 113124 144208239 A A 2,4,5-Triethoxyacetophenone CCOc1cc(OCC)c(cc1OCC)C(C)=O Tox21_201041 -NCGC00164077-02 196715783 tox21-ror-cho-viability-p1 set2 4 0.25047133 -1.84029404 -0.16338504 0.28881023 -0.05290975 -0.42710085 0.14982149 -1.79901286 0.39016993 -1.88795576 0.06962795 2.64494088 2.02427429 2.15906494 -4.01558021 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00015715-08 196713318 tox21-ror-cho-viability-p1 set2 4 0.10077513 -3.17037919 0.28496374 1.04662931 -0.25243038 0.81968319 1.06178521 0.25309508 0 0.26207047 0.48449139 1.21338316 0.06742574 1.75148934 4.7502393 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53179-07-0 4500 170466483 A Nisoxetine COc2ccccc2OC(CCNC)c1ccccc1 Tox21_110203_1 -NCGC00016995-04 196712914 tox21-ror-cho-viability-p1 set2 4 0.0059557173 -6.122297716 4.5 -1.622297716 1.4163171 0.55872895 0.1309397294 1.97431192 7.65398294 1.03172099 1.55012644 -0.68738337 0.05395865 -2.07767143 -1.17907478 -2.29455593 1.11399354 -1.58317172 -2.0480742 -5.51858143 -0.417418 -0.41403205 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 138-92-1 16051987 170465002 Z Betazole hydrochloride Cl.NCCc1ccnn1 Tox21_110729_1 -NCGC00015861-09 196713309 tox21-ror-cho-viability-p1 set2 4 -3.8498534 -0.53908527 -3.33340235 -5.81194687 -3.07281619 1.01838807 -1.0688554 -0.31829109 -0.86458486 -4.95104875 -3.71956071 -3.35295571 -0.15830147 -0.42576636 -0.66553037 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55242-55-2 4938 170465624 A Propentofylline CC(=O)CCCCN2C(=O)c1n(cnc1N(C)C2=O)CCC Tox21_110247_1 -NCGC00249914-01 196713314 tox21-ror-cho-viability-p1 set2 4 -0.11678893 -1.25868331 1.09068826 1.6161332 2.90548965 3.50947948 0.89367362 2.1504556 -0.58189032 1.4838161 -1.21300864 2.25127294 1.69506681 5.65913534 5.40861452 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2179-37-5 2312 170465760 A A Bencyclane CN(C)CCCOC1(CCCCCC1)Cc2ccccc2 Tox21_113690 -NCGC00253683-01 196713325 tox21-ror-cho-viability-p1 set2 4 -6.06065546 -4.98302883 -5.8023001 -3.60699628 -5.29347449 -6.75836789 -3.63440182 -4.59175777 -1.22167861 -1.39008515 -2.29030253 -0.38522099 -2.47019821 -2.66935306 -2.20452733 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 78834-75-0 3018793 170466713 F A Ethyl 7-chloro-2-oxoheptanoate O=C(CCCCCCl)C(=O)OCC Tox21_113807 -NCGC00164480-02 196713734 tox21-ror-cho-viability-p1 set2 4 -1.00681106 -0.96780904 -1.35603293 -3.40262744 -2.27271149 -3.81999863 -3.00876464 -2.22520202 -6.70968651 2.67238955 -1.88523568 2.81574678 2.42246307 2.47622203 1.39656435 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1954-79-6 71808 170466252 F Mecloralurea CNC(=O)NC(O)C(Cl)(Cl)Cl Tox21_112123_1 -NCGC00015163-09 196713735 tox21-ror-cho-viability-p1 set2 4 37.5780357627 -9.699101632 0 -9.699101632 4.9549173134 0.4829956974 0.1977123287 -1.14620418 2.95694816 -1.33487185 -0.7786228 0.23748168 1.29483675 -1.39669997 0.2600787 0.31779414 1.22115876 1.93492805 -5.40232298 1.028609 0.33060796 -7.24925136 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14919-77-8 26964 170465804 Z Benserazide Cl.Oc1ccc(CNNC(=O)C(N)CO)c(O)c1O Tox21_110573_1 -NCGC00159422-04 196713739 tox21-ror-cho-viability-p1 set2 4 -0.2420875 -0.28519218 -0.89169791 -0.74776568 1.37351591 -0.64346656 1.89969134 1.162346 -0.91603408 2.24139528 0.99824446 0.28233596 1.7771821 1.73649532 2.17188463 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1953-02-2 5483 170465217 D Tiopronin OC(=O)CNC(=O)C(C)S Tox21_111654_1 -NCGC00254445-01 196714145 tox21-ror-cho-viability-p1 set2 4 1.11569713 1.1192584 1.63065254 -0.3563703 -0.02910181 3.82939972 0.68398467 0.5642866 2.10198233 1.3983096 -0.75924976 2.67716091 1.70210657 0.93641575 3.41108664 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 194098-25-4 9839190 144210758 A A CP-409092 CNCc1ccc(cc1)NC(=O)c3cnc2CCCC(=O)c23 Tox21_300440 -NCGC00254174-01 196714161 tox21-ror-cho-viability-p1 set2 4 0.3012808 -1.40369113 -1.33229772 1.2251184 -0.92122402 0.61031849 -1.00887321 -0.64102047 0.44619676 0.35330339 -2.39821188 0.31168039 -1.0074223 1.39895194 -1.05640028 1.103E-9 2.466E-9 5.515E-9 1.233E-8 2.758E-8 6.166E-8 1.3789999999E-7 3.083E-7 6.894E-7 0.000001542 0.0000034469999999 0.000007708 0.000017239999999 0.00003854 0.00008618 433212-21-6 16654936 144210579 A A SAR 150640 Cl.CS(=O)(=O)Nc1cc(ccc1O)OC[C@@H](O)CN[C@H]2CC[C@@H](CC2)c3ccc(cc3)C(=O)OCC Tox21_300259 -NCGC00259910-01 196705955 tox21-ror-cho-viability-p1 set1 4 19.232929515 -19.33416402 0.5 -18.83416402 4.0949729863 0.715552678 0.0315077397 2.86870362 2.84447995 2.48091973 4.85121679 1.47971319 -1.22118964 -0.56185776 -0.18256928 -13.24511174 5.99417781 2.48026864 -1.24200391 -8.43545247 -18.61180335 -18.53715575 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.569E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.00004106 0.00009181 569-57-3 11289 144209559 A A Chlorotrianisene COc1ccc(cc1)C(\Cl)=C(/c2ccc(OC)cc2)c3ccc(OC)cc3 Tox21_202361 -NCGC00258948-01 196705960 tox21-ror-cho-viability-p1 set1 4 0.90126388 9.20155671 2.72795516 0.83904767 2.30145143 -0.47328959 1.54061228 6.41450102 0.14130556 13.55052022 3.67993707 1.15226378 -0.3760176 1.32384214 3.73135713 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 57-50-1 5988 144208595 D Sucrose O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O Tox21_201397 -NCGC00090910-03 196705558 tox21-ror-cho-viability-p1 set1 4 -7.62850986 -4.74521753 -6.71948707 -9.94056171 0.64806467 -0.33037061 -6.50776694 1.28264691 -2.79167326 -12.47196283 4.81913968 -11.40495968 -9.2658095 -12.01653345 -3.38960673 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00259052-01 196705950 tox21-ror-cho-viability-p1 set1 4 4.89905355 0.90030025 5.03913996 4.691021 -0.15436796 3.78478919 -1.65146541 -0.77369087 8.50923287 17.1635995 -5.05657572 -3.78165402 -0.3491169 1.67535931 3.48409967 1.1529999999E-9 2.5769999999E-9 5.7629999999E-9 1.289E-8 2.8809999999E-8 6.443E-8 1.441E-7 3.221E-7 7.203E-7 0.000001611 0.0000036019999999 0.000008054 0.00001801 0.00004027 0.00009004 95-14-7 7220 144208699 A A 1,2,3-Benzotriazole c1cccc2nnnc12 Tox21_201501 -NCGC00259116-01 196705970 tox21-ror-cho-viability-p1 set1 4 -12.93922589 -9.41935434 -14.06923904 -13.92409059 -14.57738142 -10.36130325 -10.80367131 -6.05729912 -7.7822866 -13.08094247 -0.32676016 -9.13536818 -10.77874764 -15.7468821 -16.1867445 1.197E-9 2.677E-9 5.986E-9 1.339E-8 2.993E-8 6.693E-8 1.497E-7 3.346E-7 7.4829999999E-7 0.000001673 0.000003741 0.000008366 0.00001871 0.00004183 0.00009353 613-13-8 11937 144208765 A D 2-Aminoanthracene Nc1ccc2cc3ccccc3cc2c1 Tox21_201567 -NCGC00259423-01 196705974 tox21-ror-cho-viability-p1 set1 4 0.1105892673 6.0560074999 -5.0560074999 1 4.9549173134 0.3752287254 0.2965472998 -10.88000625 0.56653523 -3.10422529 -0.15190387 -8.50047094 -8.19227366 1.41703635 6.44479362 0.12515269 -1.69751765 -3.88355763 2.68416773 -2.05861326 3.39001287 1.24830836 1.197E-9 2.676E-9 5.983E-9 1.338E-8 2.9909999999E-8 6.689E-8 1.496E-7 3.345E-7 7.479E-7 0.0000016719999999 0.0000037389999999 0.000008361 0.000018699999999 0.00004181 0.00009348 84-66-2 6781 144209072 A A Diethyl phthalate O=C(OCC)c1ccccc1C(=O)OCC Tox21_201874 -NCGC00090760-08 196705975 tox21-ror-cho-viability-p1 set1 -2.2 48.2616000528 -48.3380131045 3.1903189075 -45.147694197 1.6258976909 0.8863683573 0.000605708 6.04075229 0.88372611 5.64206846 -0.23872919 1.56151878 1.297919 -0.27183952 -0.34108308 7.41175973 12.42001184 -0.07815103 1.02308773 -7.73635684 -15.09278982 -33.77361001 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00258886-01 196706376 tox21-ror-cho-viability-p1 set1 4 0.0108596684 18.876347896 -18.376347896 0.5 0.4 0.7159960447 0.0315022086 -13.64695658 -9.67013735 -13.62612245 -3.8236471 -12.21312344 -2.97711514 -1.37417904 -7.61757407 -1.90815763 -2.67379224 0.28314249 -0.5424691 1.00480952 -2.11130618 0.64154749 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 79-44-7 6598 144208532 D Dimethylcarbamoyl chloride CN(C)C(Cl)=O Tox21_201334 -NCGC00259006-01 196706377 tox21-ror-cho-viability-p1 set1 4 5.62159241 7.15031645 0.70989408 1.11228314 4.05217765 -1.77820866 -2.86350269 5.38621437 -0.8508024 14.23736499 4.74105852 -0.49173515 2.84001281 1.83442714 0.46503201 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.00000369 0.000008252 0.000018449999999 0.000041259999999 0.00009226 7747-35-5 82190 144208653 A A 5-Ethyl-1-aza-3,7-dioxabicyclo[3.3.0]octane CCC12COCN2COC1 Tox21_201455 -NCGC00259976-01 196706390 tox21-ror-cho-viability-p1 set1 4 27.8623340816 -11.307361356 2.5 -8.807361356 2.0478617061 0.3470510426 0.3404946665 2.88887818 0.08640972 1.69265897 6.43855264 2.90495978 -0.87175946 0.19004112 0.03717538 6.31602994 10.11635164 0.27529205 -0.11178399 0.25412069 -5.67280113 1.05460523 1.1999999999E-9 2.684E-9 6.001E-9 1.3419999999E-8 3E-8 6.7089999999E-8 1.5E-7 3.355E-7 7.5009999999E-7 0.000001677 0.0000037509999999 0.000008387 0.00001875 0.00004193 0.00009376 91-64-5 323 144209625 A A Coumarin O=C1C=Cc2ccccc2O1 Tox21_202427 -NCGC00259513-01 196706391 tox21-ror-cho-viability-p1 set1 -2.1 60.8819825247 -105.5002787851 -2.6524057229 -108.152684508 2.5884283767 0.9426620176 0.000017689 4.59020533 3.19447772 -6.1769862 -3.94560126 2.7341811 0.60126017 -1.34455049 -5.15184368 -9.82281151 -5.29467953 0.08425982 -15.76216785 -7.06972776 -29.25738885 -81.9338519 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.315E-8 2.94E-8 6.573E-8 1.4699999999E-7 3.2869999999E-7 7.3489999999E-7 0.000001643 0.0000036749999999 0.000008217 0.00001837 0.00004108 0.00009187 169590-42-5 2662 144209162 A A Celecoxib NS(=O)(=O)c1ccc(cc1)n3nc(cc3c2ccc(C)cc2)C(F)(F)F Tox21_201964 -NCGC00259193-01 196706785 tox21-ror-cho-viability-p1 set1 4 -1.4386605 -2.53137668 -11.29221353 -11.57473466 -8.53968549 -13.49151433 -8.65390912 -2.09364827 2.71124229 -8.60178318 -16.85202873 -1.41209706 -1.47233487 0.21735698 1.10378205 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 55290-64-7 41385 144208842 A A Dimethipin O=S1(=O)CCS(=O)(=O)C(C)=C1C Tox21_201644 -NCGC00016896-06 196697302 tox21-ror-cho-viability-p1 set1 4 5.0322401 -4.1391537 -1.97737096 -0.09647576 -1.1197094 -1.6293191 0.54779757 -0.23318065 -1.29859981 1.25701685 1.40574431 -1.43207453 -0.44641221 3.71506013 0.32755558 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60719-84-8 3698 170465367 Z Amrinone NC1=CC(=CNC1=O)c2ccncc2 Tox21_112110_1 -NCGC00253604-01 196697308 tox21-ror-cho-viability-p1 set1 -3 33.4914596268 -51.3180632595 -1.807306382 -53.1253696415 4.9549173134 0.9716950111 3.494E-7 -4.48756487 -0.97858539 -3.21117653 -2.57922802 -4.56519981 1.47186238 -1.62938286 -2.95712236 -3.33938597 -2.66929396 1.44406391 -2.45730621 -1.95562285 -4.05387855 -46.60120144 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 73573-42-9 5282209 170465875 I A Rescimetol Oc1ccc(cc1OC)/C=C/C(=O)O[C@@H]3C[C@@H]4CN5CCc2c6ccc(OC)cc6nc2[C@H]5C[C@@H]4[C@@H]([C@H]3OC)C(=O)OC Tox21_113739 -NCGC00164449-04 196697296 tox21-ror-cho-viability-p1 set1 4 1.561113 2.03380103 -2.07976402 -5.53153142 1.08500128 -0.66173006 0.46801671 -0.10303229 0.02581186 -1.53917228 -2.28635498 1.1695712 -0.54108387 1.48060218 0.35894938 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00159481-03 196697299 tox21-ror-cho-viability-p1 set1 4 37.5780357627 -10.015320064 1.5 -8.515320064 4.9549173134 0.5200724419 0.1642809349 0.637346 0.16848629 2.843185 0.30755588 2.89369643 0.80771542 2.16348867 0.36371596 -0.10552876 0.58159202 5.52970814 -2.59209391 2.18359642 2.1999831 -6.26276672 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64506-49-6 5282219 170466017 A Sofalcone C/C(C)=C\COc1ccc(cc1)/C=C/C(=O)c2ccc(cc2OCC(=O)O)OC\C=C(/C)C Tox21_111705_1 -NCGC00167453-02 196697310 tox21-ror-cho-viability-p1 set1 4 -0.75560308 4.90619518 -1.22386652 1.39053131 -1.2836537 0.73770015 -5.75390938 -0.95606807 -0.61244799 0.25548883 -0.62865614 -5.38943336 1.3995774 0.87784986 0.97817767 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 30299-08-2 2787 170465771 A Clinofibrate O=C(O)C(C)(CC)Oc1ccc(cc1)C2(CCCCC2)c3ccc(OC(C)(CC)C(=O)O)cc3 Tox21_112457_1 -NCGC00181337-03 196697317 tox21-ror-cho-viability-p1 set1 4 1.88423001 4.10974837 -5.45920583 2.95437269 4.79461017 2.93860623 3.17571104 3.94436714 1.7409926 1.9118098 4.7705328 1.28223257 1.92947025 2.68743901 0.02834878 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1777-82-8 15684 170465574 F 2,4-Dichlorobenzyl alcohol OCc1ccc(Cl)cc1Cl Tox21_112796_1 -NCGC00070736-03 196697323 tox21-ror-cho-viability-p1 set1 4 0.07971229 -4.28979527 2.76618815 -1.49447745 0.11883581 -2.93899937 -0.28098946 1.18526433 -4.17490931 0.11598911 2.33421506 -1.20081817 -3.19646037 0.99077164 -2.84258984 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 99011-02-6 57469 170464691 A Imiquimod CC(C)Cn3cnc2c(N)nc1ccccc1c23 Tox21_110985_1 -NCGC00095122-05 196697345 tox21-ror-cho-viability-p1 set1 4 1.84517863 3.29870649 6.34581056 -1.21138666 3.23566677 1.15928703 4.19266221 3.60438759 2.65680213 0.71010148 1.20699464 2.34335358 0.23988157 1.84452616 2.27422268 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 138402-11-6 3749 170464670 A Irbesartan CCCCC5=NC1(CCCC1)C(=O)N5Cc2ccc(cc2)c3ccccc3c4nnnn4 Tox21_111433_1 -NCGC00015316-05 196697362 tox21-ror-cho-viability-p1 set1 4 -0.44612807 -0.9084588 0.35462643 -7.1093124 4.7931498 0.37919229 -0.23098357 -5.70277873 1.31747728 0.12727075 -0.81516563 -3.32205317 0.92220531 0.76177503 1.06569399 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 96020-91-6 57004 170465007 Z Eflornithine Hydrochloride Cl.FC(F)C(N)(CCCN)C(=O)O Tox21_111224_1 -NCGC00016692-05 196697369 tox21-ror-cho-viability-p1 set1 4 29.8492948118 -14.8178390399 3 -11.8178390399 4.5044702849 0.6744882815 0.050979229 0.24171933 8.25955215 4.37035631 -0.63212201 5.72301457 4.53711978 0.77525394 4.20046886 3.53618181 0.04277374 2.37117203 3.3708557 2.77307501 0.49218054 -9.8481992 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10457-90-6 2448 170465873 A Bromperidol Fc1ccc(cc1)C(=O)CCCN2CCC(O)(CC2)c3ccc(Br)cc3 Tox21_110565_1 -NCGC00253678-01 196697409 tox21-ror-cho-viability-p1 set1 4 0.94722467 0.80634149 -0.34449896 0.0071307 7.11517208 4.30407343 -0.96592854 0.96819736 -0.73043046 1.59165145 1.55541538 2.18331567 -0.01401732 1.45980527 3.99988852 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64920-29-2 562087 170466749 F B Ethyl 2-oxo-4-phenylbutyrate O=C(OCC)C(=O)CCc1ccccc1 Tox21_113802 -NCGC00163803-06 196697418 tox21-ror-cho-viability-p1 set1 4 -2.28383602 -1.19454839 2.68354985 1.46778585 1.22404788 -3.90678446 -4.69666009 -2.00211839 -1.27427552 -3.36099308 -3.19952648 -2.18073354 2.37217828 -0.08408354 -3.55038003 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66215-27-8 47866 170466498 Z Cyromazine Nc2nc(N)nc(NC1CC1)n2 Tox21_112074_1 -NCGC00344564-01 196697419 tox21-ror-cho-viability-p1 set1 4 -1.92916342 -0.67370979 -3.35337722 2.77277827 0.46854301 -0.25699109 -2.63165965 2.54812617 -3.17178186 3.98452773 4.14450869 0.18581149 0.60712224 3.55966675 6.58042692 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 520-27-4 5281613 170466258 A Diosmin COc1ccc(cc1O)C2=CC(=O)c3c(O)cc(cc3O2)O[C@@H]5O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]5O Tox21_111392_1 -NCGC00091380-04 196717818 tox21-ror-cho-viability-p1 set2 4 -1.02609726 -0.39095355 -6.87583792 -2.17864261 -1.08395522 -1.27723047 2.05416357 -3.21149659 2.11099978 -0.01864323 -1.28756833 0.11246483 0.30624518 -0.84532403 -1.30820468 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00180889-03 196717410 tox21-ror-cho-viability-p1 set2 4 1.6383346 1.20615636 1.57211666 6.74918859 6.22339456 3.0280829 5.49385143 3.58793489 6.42571454 2.79421733 4.54889178 4.17427338 0.15292194 -0.58923778 1.42594409 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 42461-84-7 60196270 170466598 A Flunixin meglumine CNC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO.FC(F)(F)c2cccc(Nc1ncccc1C(=O)O)c2C Tox21_110782_1 -NCGC00015563-13 196717411 tox21-ror-cho-viability-p1 set2 4 0.2984929481 10.197811408 -7.697811408 2.5 1.24751 0.7924170715 0.0093584942 -5.60938986 -7.73603391 -2.90624127 -10.42527191 -11.41484284 -8.94389742 -3.79447256 -4.60319538 -0.48960357 -2.027193 2.51786804 2.14132174 3.18383635 0.56986533 3.90375368 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-49-7 3696 170464777 A Imipramine CN(C)CCCN2c3ccccc3CCc1ccccc12 Tox21_110174_1 -NCGC00015580-13 196717821 tox21-ror-cho-viability-p1 set2 4 5.9557173066 12.639411056 -4.639411056 8 0.4 0.4766948882 0.2006613179 -3.12430615 -2.83106214 -0.8055664 -12.61617588 0.03808681 -5.76488079 -2.61746229 -0.52032098 -1.79103554 0.57696534 -0.46323268 1.81321605 2.20308248 0.08089789 6.8702685 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 34580-13-7 3827 170465378 A Ketotifen CN1CC/C(CC1)=C3\c4ccccc4CC(=O)c2sccc23 Tox21_110176_1 -NCGC00247689-01 196717824 tox21-ror-cho-viability-p1 set2 4 -3.99178229 -7.44722472 -6.90869272 -4.34643999 1.04768773 -8.09504504 -3.571576 0.93730551 -1.95067576 -16.31798636 -4.25109529 -3.72460666 -3.23653181 -6.67031621 -1.82370052 1.327E-9 2.968E-9 6.636E-9 1.484E-8 3.3179999999E-8 7.419E-8 1.659E-7 3.71E-7 8.295E-7 0.0000018549999999 0.000004147 0.0000092739999999 0.000020739999999 0.00004637 0.0001037 5156-58-1 60196318 144206392 A A N-(1-Benzyl-4-piperidyl)-N-phenylpropanamide hydrochloride Cl.CCC(=O)N(C2CCN(Cc1ccccc1)CC2)c3ccccc3 Tox21_112839 -NCGC00256971-01 196718231 tox21-ror-cho-viability-p1 set2 4 6.1130564862 -5.365213816 1.5 -3.865213816 4.9549173134 0.3652460812 0.3071792925 2.59016823 0.24818547 -0.14675337 0 -2.8333698 6.23001051 3.9653932 -1.0849425 4.94508433 -2.42671238 6.17879171 -5.00051054 -1.95642427 -6.13767818 -1.70631439 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-42-7 7335 144213422 A I Carvyl acetate O=C(C)OC1CC(CC=C1C)C(=C)C Tox21_303105 -NCGC00091657-02 196718233 tox21-ror-cho-viability-p1 set2 4 -0.09378578 -0.33661134 2.16730774 3.19145624 0.8689429 2.85867705 1.94679287 2.96040866 1.16605961 2.41649648 1.66514149 4.52128849 5.2593524 0.6698796 -0.24549538 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00256557-01 196718234 tox21-ror-cho-viability-p1 set2 4 -0.15429284 1.10102402 -0.11567972 1.67080059 2.13218853 2.87131354 0.85470968 4.39980355 0.85417546 0.49627317 6.14395942 2.69486523 0.93459882 0.0620249 1.54099738 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-24-2 7290 144213276 A A 3-Chloro-1,2-propanediol OCC(O)CCl Tox21_302959 -NCGC00256429-01 196718649 tox21-ror-cho-viability-p1 set2 4 1.46061897 -1.6625551 -3.39320122 -0.0704843 -8.88491625 -5.33846883 -0.09442625 1.94473117 -3.82975838 -9.42619377 -3.37978418 -4.18700367 1.17794569 -4.66274116 -0.36341876 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6959-47-3 23392 144213050 A Ac 2-(Chloromethyl)pyridine hydrochloride Cl.ClCc1ccccn1 Tox21_302733 -NCGC00256525-01 196718654 tox21-ror-cho-viability-p1 set2 4 1.02755071 1.47124893 1.43842894 0.01853738 2.28076862 4.60300888 3.04130674 3.49030051 1.79504929 -0.50443952 2.9162004 6.16544622 2.48306059 0.49820211 1.88521558 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-78-1 16666 144213316 A Ac dl-Menthol CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O Tox21_302999 -NCGC00257343-01 196718660 tox21-ror-cho-viability-p1 set2 -2.1 24.3365162115 -75.9839597049 -5.419352389 -81.4033120939 4.9549173134 0.9632837559 0.0000042778 -15.37656259 -5.90578944 -2.70788303 -8.71428799 -6.8247611 -7.74394382 -1.89522826 -3.45848186 -6.02435056 -2.62064347 -2.79154604 -1.17219644 -19.46586145 -76.29936305 9.51027526 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 705-60-2 1549520 144213915 A A (2-Nitro-1-propenyl)benzene C\C(=C/c1ccccc1)[N+]([O-])=O Tox21_303610 -NCGC00258564-01 196716172 tox21-ror-cho-viability-p1 set2 4 2.01569206 0.92563016 -3.1737211 -4.20050485 -2.15203726 -4.09996161 -5.36148206 -7.97728287 -0.66029571 -6.19481004 0.41442095 -5.48890758 -2.27570623 -4.18398458 2.63716002 9.2239999999E-10 2.062E-9 4.6119999999E-9 1.031E-8 2.306E-8 5.156E-8 1.153E-7 2.5779999999E-7 5.765E-7 0.0000012889999999 0.000002882 0.000006445 0.00001441 0.000032229999999 0.00007206 83905-01-5 447043 144208209 A A Azithromycin CN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)N(C)C[C@H](C)C[C@@]2(C)O)[C@@H]3O Tox21_201011 -NCGC00257511-01 196727393 tox21-ror-cho-viability-p1 set3 4 9.14852381 -0.433448 -2.28308641 -0.59958299 -4.34515914 -2.41257125 -4.78339267 -2.24278636 -4.46485689 -3.12655452 -2.84035382 11.30197393 5.59570038 -1.49540426 -0.45538935 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10161-33-8 25015 144213956 A A 17beta-Trenbolone O=C3C=C4CC[C@@H]1C(C=C[C@]2(C)[C@@H](O)CC[C@@H]12)=C4CC3 Tox21_303654 -NCGC00256459-01 196727398 tox21-ror-cho-viability-p1 set3 1.1 27.3060203028 73.7944505607 0.4245747739 74.2190253346 4.0949729863 0.9968187963 0 0.55534995 -2.77803663 1.48003022 -0.29688106 0.25048068 2.01784238 -0.29437278 2.19169184 0.38837428 0.81212702 0.40085069 2.48105694 14.16029815 61.38722901 74.63977607 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 132-98-9 23676814 144213231 A B Penicillin VK [K+].O=C([O-])[C@@H]2N3C(=O)[C@@H](NC(=O)COc1ccccc1)[C@H]3SC2(C)C Tox21_302914 -NCGC00257367-01 196727399 tox21-ror-cho-viability-p1 set3 -2.4 21.6899429044 -39.426198971 2.942191373 -36.484007598 0.6999999999 0.8676083897 0.0012611351 2.21427184 14.18251392 0.73675962 1.16249451 -2.88491367 2.64173416 -0.84669282 -2.22606641 0.81169146 -1.34524976 -2.79166749 -12.9010151 -14.81051647 -21.38302568 -26.97365862 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 486-66-8 5281708 144213952 A A Daidzein Oc1ccc(cc1)C3=COc2cc(O)ccc2C3=O Tox21_303650 -NCGC00255986-01 196727797 tox21-ror-cho-viability-p1 set3 1.2 0.0015355304 35.4543264312 -4 31.4543264312 4.9549173134 0.7873919479 0.0263963588 1.68482643 35.6161758 33.94764128 34.09364799 25.69611083 23.97745683 28.73133098 26.41886344 31.81637106 35.83888004 32.57901525 34.05391766 21.08884387 27.23907967 21.04210198 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-71-3 66755 144211700 A A 2-Ethoxyphenol CCOc1ccccc1O Tox21_301383 -NCGC00256062-01 196727799 tox21-ror-cho-viability-p1 set3 4 -3.77010143 2.00968865 2.88362983 3.98549438 2.16856056 0.0904873 6.88166932 6.47673419 0.24346591 7.70818684 -2.20388428 3.15149803 2.69769612 -2.48064931 0.32738128 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2315-68-6 16846 144211922 A Ac Propyl benzoate O=C(OCCC)c1ccccc1 Tox21_301605 -NCGC00256096-01 196727809 tox21-ror-cho-viability-p1 set3 4 -4.00289467 0.01699205 1.59527196 -1.86814587 2.88415146 0.27222214 5.39674143 0.2522616 4.41311009 3.51230002 3.79225088 -1.63480667 0.99366457 0.08936699 0.82216907 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4724-48-5 78452 144212559 A A Octylphosphonic acid O=P(O)(O)CCCCCCCC Tox21_302242 -NCGC00255575-01 196728212 tox21-ror-cho-viability-p1 set3 4 27.3060203028 -9.499132656 1 -8.499132656 1.5385888099 0.5982317995 0.0995327065 0.01401674 -0.12405665 -0.43081988 1.07250434 -1.79407306 -1.1810428 4.45173439 6.45401961 1.46624931 0.94376711 0.73850795 1.00982057 -4.26636596 -3.69574677 -7.91594388 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 366-18-7 1474 144211747 A Ac 2,2'-Dipyridyl c1nc(ccc1)c2ccccn2 Tox21_301430 -NCGC00255717-01 196728630 tox21-ror-cho-viability-p1 set3 4 0.48994489 0.74488438 -0.31686131 -2.10203162 -1.22950645 -2.63067397 -0.02848406 0.26679434 3.22202073 -6.34034887 1.65438382 -2.63873032 -2.91782754 -1.40654331 4.51466367 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 780-69-8 13075 144212485 D F Triethoxy(phenyl)silane CCO[Si](OCC)(OCC)c1ccccc1 Tox21_302168 -NCGC00258492-01 196729539 tox21-ror-cho-viability-p1 set3 4 0.37892404 -0.7557625 -1.33243647 -1.9993591 -3.40055332 -2.96806846 1.24508984 0.50959807 -3.24284443 -1.19923848 1.49825281 0 3.16180697 -1.17730069 5.74896602 1.2319999999E-9 2.755E-9 6.1599999999E-9 1.3769999999E-8 3.08E-8 6.887E-8 1.54E-7 3.444E-7 7.6999999999E-7 0.000001722 0.0000038499999999 0.000008609 0.00001925 0.000043039999999 0.00009625 105-34-0 7747 144208136 A Ac Methyl cyanoacetate N#CCC(=O)OC Tox21_200938 -NCGC00255474-01 196729132 tox21-ror-cho-viability-p1 set3 4 5.4482673282 -6.61182674 2.5 -4.11182674 4.9549173134 0.3810344113 0.2909032259 -0.90381148 -3.61680798 -0.72625598 7.23469 6.18600542 -3.38598058 7.20991192 6.89314425 0.69887521 4.68325622 3.74329411 -6.34318895 -6.02898562 -2.33274356 -1.91887168 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60397-77-5 92363 144211759 A A N-(2,4-Dimethylphenyl)formamide O=CNc1ccc(C)cc1C Tox21_301442 -NCGC00256134-01 196729133 tox21-ror-cho-viability-p1 set3 4 1.04018432 -2.46991709 -2.70658135 -1.48972306 -1.27513862 0.08523932 -0.04035326 -5.04124035 -3.07805243 1.78647886 0.71751867 -7.12183456 -3.71855669 -4.20308377 1.59286316 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15901-40-3 85178 144212103 F F N,N',N''-Tricyclohexyl-1-methylsilanetriamine C[Si](NC1CCCCC1)(NC2CCCCC2)NC3CCCCC3 Tox21_301786 -NCGC00255994-01 196729145 tox21-ror-cho-viability-p1 set3 4 0.00754931 2.78995423 8.72458501 -0.62999416 -2.59486014 1.95849092 6.78072414 0.52798958 3.31983302 -0.42113402 3.41835325 1.41736079 6.12101245 10.81140612 2.46359596 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 2217-02-9 6997371 144211665 A A (1R)-endo-(+)-Fenchyl alcohol C[C@@]12CC[C@@H](C1)C(C)(C)[C@@H]2O Tox21_301348 -NCGC00257930-01 196729549 tox21-ror-cho-viability-p1 set3 4 1.57237551 -0.65715774 -5.75950793 -0.48608915 1.55154377 0.2735912 -0.49724965 0.30250667 0.57045167 -1.33050977 0.08421484 -2.80508351 0.43140001 -3.01608466 0.09980374 1.2069999999E-9 2.699E-9 6.0359999999E-9 1.3499999999E-8 3.0179999999E-8 6.7479999999E-8 1.509E-7 3.3739999999E-7 7.5449999999E-7 0.000001687 0.0000037719999999 0.000008435 0.00001886 0.00004218 0.00009431 92-67-1 7102 144207574 A A 4-Biphenylamine Nc1ccc(cc1)c2ccccc2 Tox21_200376 -NCGC00254250-01 196699205 tox21-ror-cho-viability-p1 set1 4 -2.00377588 -3.01713472 0.42392488 1.89598655 2.01589686 2.78008235 2.24914814 0.13614982 1.71349358 -0.96492296 -1.09563613 -3.0790999 -5.03406767 -2.09282394 -5.24727833 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 2795-39-3 23669238 144210862 PFOS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300544 -NCGC00065440-03 196698378 tox21-ror-cho-viability-p1 set1 4 4.59122245 5.54769856 2.86429938 2.85000962 0.67119959 4.38082909 -0.05229729 -0.00831295 3.21621511 1.96362847 -2.1350038 -0.51077089 1.16001143 1.20041162 4.19098111 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1027-14-1 2843496 170466214 A Trimecaine monohydrochloride Cl.O=C(Nc1c(C)cc(C)cc1C)CN(CC)CC Tox21_110981_1 -NCGC00254903-01 196699190 tox21-ror-cho-viability-p1 set1 4 0.20058002 5.44459302 -0.93075899 -0.97337343 -0.54114908 2.2185237 -0.605801 -0.69848855 0.20587522 -0.83383786 -3.91745862 3.7451692 4.23053473 0.39221645 -0.10454229 1.177E-9 2.631E-9 5.884E-9 1.316E-8 2.942E-8 6.578E-8 1.471E-7 3.289E-7 7.355E-7 0.000001645 0.0000036769999999 0.000008223 0.00001839 0.00004111 0.000091939999999 81334-34-1 54738 144211318 A A Imazapyr CC1(N=C(NC1=O)c2ncccc2C(=O)O)C(C)C Tox21_301001 -NCGC00255087-01 196699198 tox21-ror-cho-viability-p1 set1 4 54.4826732819 13.98009882 -1.98009882 12 3.2974983358 0.5828226441 0.1105541956 0.05295246 -2.54081382 -0.28475146 -7.90008235 -0.89656539 -2.51281663 0.85851835 -2.42530679 -1.97995345 0.51764729 -6.51546231 1.2498246 0.25811312 1.55579818 9.79093905 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4812-20-8 20949 144211506 A A 2-Isopropoxyphenol CC(C)Oc1ccccc1O Tox21_301189 -NCGC00255027-01 196699215 tox21-ror-cho-viability-p1 set1 4 2.96912375 1.70863484 4.93891304 0.08658221 0.00418129 0.28429001 -0.0972082 1.84068149 1.12518676 1.74657253 1.91181584 -1.52043947 4.01611144 -0.06345341 2.24634828 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-14-2 6919 144211445 A Ac 2-Furancarboxylic acid O=C(O)c1ccco1 Tox21_301128 -NCGC00254811-01 196699621 tox21-ror-cho-viability-p1 set1 4 -4.42599167 -0.66522128 -0.72252588 -2.35251787 -4.61345742 -3.79671079 1.82865926 -1.47560665 -1.34564888 -7.21319202 -0.23597641 -2.90905806 -3.06770824 -3.96014876 -5.7861125 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103055-07-8 71777 144211224 A A Lufenuron Clc2cc(NC(=O)NC(=O)c1c(F)cccc1F)c(Cl)cc2OC(F)(F)C(F)C(F)(F)F Tox21_300907 -NCGC00164077-02 196699622 tox21-ror-cho-viability-p1 set1 4 -4.00141555 -5.18073094 1.05723752 -0.34263929 -3.0215308 -0.12515414 -0.72081692 -2.9400449 -0.33261744 0.71680248 -7.99592729 1.98705026 3.42560899 -2.41818121 -4.20756458 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00254542-01 196700034 tox21-ror-cho-viability-p1 set1 4 -1.3527645 -4.26830685 0.06951892 -0.70843489 -3.05459571 -2.66514358 -0.15374024 -3.94776156 -0.32460542 -3.25617605 -5.05636821 -4.07837107 -0.76984563 -6.01770815 -6.84558517 1.062E-9 2.374E-9 5.309E-9 1.187E-8 2.654E-8 5.935E-8 1.327E-7 2.968E-7 6.636E-7 0.000001484 0.000003318 0.000007419 0.00001659 0.0000371 0.00008295 27323-41-7 24180686 144210910 Dodecylbenzene sulfonate triethanolamine(1:1) OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC.OCCN(CCO)CCO Tox21_300593 -NCGC00257523-01 196700043 tox21-ror-cho-viability-p1 set1 4 0.31328558 -5.94703856 -0.08661802 -1.82569762 -0.68182863 -3.22671108 -3.15716998 -3.23383793 -2.33549079 -0.19772867 -2.36138142 -5.08374482 0.32191701 -1.17849447 2.18944348 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25168-05-2 7931 144211239 FNS Chlorotoluene Cc1cc(Cl)ccc1 Tox21_300922 -NCGC00254828-01 196700044 tox21-ror-cho-viability-p1 set1 4 -6.59331502 -0.05652179 -4.29780364 -5.43217469 -6.05223073 -5.32488929 -1.43307076 -7.30260771 -6.33743488 -6.38664103 1.05077802 -0.03122898 -4.24134558 -0.2494075 0.28597409 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-95-0 7358 144211243 A Ac 2-Ethyl-1-butanol CCC(CC)CO Tox21_300926 -NCGC00254646-01 196699225 tox21-ror-cho-viability-p1 set1 4 1.54885494 1.13939726 -3.04287021 -0.44092328 -1.40113974 0.81615399 0.83858755 0.65272765 -13.14821308 -12.43167749 1.3532099 -0.66058619 -1.95205371 0.89537265 1.44893758 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.0000036659999999 0.000008198 0.00001833 0.00004099 0.000091659999999 10265-92-6 4096 144211057 A Methamidophos NP(=O)(OC)SC Tox21_300740 -NCGC00254014-01 196698824 tox21-ror-cho-viability-p1 set1 4 12.1971512362 -20.177776296 -2.46915186 -22.646928156 0.2 0.5048724036 0.1750111342 -7.66033425 -6.91167278 -0.80762655 -9.76394394 -9.03147315 -7.44534156 -4.87222593 -9.39416283 -6.17850754 -11.05609492 -15.75193097 -9.05496061 -12.9865207 -18.87244013 -12.27257835 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47374 10201497 144210571 A A SSR161421 COc1ccc(cc1)C(=O)Nc3nc4ccccc4c(NCc2ccccc2)c3C#N Tox21_300251 -NCGC00254238-01 196699220 tox21-ror-cho-viability-p1 set1 4 0.0496038 -0.78282452 -2.289517 -2.62030351 -0.06767365 1.3937725 0.33327226 -0.65562758 -0.4972878 -0.82673037 -1.02391336 -0.87928431 0.67985085 -1.16837187 -2.08942581 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63-05-8 6128 144210896 A A 4-Androstene-3,17-dione O=C2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_300579 -NCGC00015273-19 196722716 tox21-ror-cho-viability-p1 set3 4 0.0105909295 11.473082772 -6.973082772 4.5 4.9549173134 0.7130543257 0.0326082817 -8.45849456 -0.63435894 -9.56090231 -9.35273442 4.2650551 0.88759721 2.21272908 2.81760944 9.07663179 5.86315825 10.05690428 6.83548004 2.31151578 2.48807369 3.04715877 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-53-3 2726 170465371 A Chlorpromazine CN(C)CCCN1c3ccccc3Sc2ccc(Cl)cc12 Tox21_110120_1 -NCGC00259644-01 196722290 tox21-ror-cho-viability-p1 set3 4 -4.36122075 -5.20095547 -5.25157763 -2.82721606 -1.40533099 -3.89398448 -3.63322315 -5.25449829 -1.8813999 -0.73102233 -5.30259565 -4.73711384 -3.17766712 -7.60245924 -2.97246623 1.19E-9 2.661E-9 5.95E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003719 0.000008315 0.00001859 0.00004158 0.00009297 123-05-7 31241 144209293 D 2-Ethylhexanal CCC(CCCC)C=O Tox21_202095 -NCGC00167754-02 196722706 tox21-ror-cho-viability-p1 set3 4 0.0000091465 55.93945663 51.53095452 60.40844245 48.38383642 40.03224587 7.57932527 4.9924933 3.07777125 -12.43487806 -16.17729568 -3.02587865 -7.06623133 -11.33288325 -12.9317009 5.82556524 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66898-62-2 48229 170466420 A Talniflumate FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)OC4OC(=O)c3ccccc34 Tox21_112584_1 -NCGC00018254-08 196722712 tox21-ror-cho-viability-p1 set3 -2.4 11.8832183006 -38.414500544 5.5 -32.914500544 0.6 0.8415308699 0.0028910299 3.00084953 8.37570423 0.1702139 7.22476212 9.56799606 -1.81447713 4.39768837 8.96859041 -2.75555008 -4.87943079 -1.87756028 -9.2375123 -10.18899865 -14.21827749 -24.09541712 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60628-96-8 2378 170465826 A Bifonazole c1cc(ccc1c2ccccc2)C(c3ccccc3)n4ccnc4 Tox21_110850_1 -NCGC00166262-03 196723113 tox21-ror-cho-viability-p1 set3 -2.4 1.4960085492 -21.351220976 0 -21.351220976 1.8616924601 0.9693167522 5.535E-7 0.05968583 -0.42648895 -0.18797515 0.50352805 0.10289064 0.97928661 0.05431594 -1.28958463 -1.13385195 -7.82770622 -9.78874735 -21.73878275 -20.95424558 -22.37601748 -18.47578163 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27503-81-7 33919 170465490 A Ensulizole O=S(=O)(O)c1cc2nc(nc2cc1)c3ccccc3 Tox21_112381_1 -NCGC00164128-02 196723117 tox21-ror-cho-viability-p1 set3 4 0.0334914596 -13.729319708 11 -2.729319708 0.4 0.9470543947 0.0000280846 8.69225054 8.71292866 6.90761352 5.91107123 6.54020293 3.19995855 3.94274001 0.83349889 0.60009895 0.92950893 -0.15174598 0.6881091 -2.27443309 -2.26122006 19.32538867 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 142-91-6 8907 170465544 F Hexadecanoic acid, 1-methylethyl ester CC(C)OC(=O)CCCCCCCCCCCCCCC Tox21_112085_1 -NCGC00249922-01 196723532 tox21-ror-cho-viability-p1 set3 4 4.7307944147 19.325248744 0.174751256 19.5 0.7999999999 0.8768660692 0.0008986112 1.06799714 2.26071189 0.62617636 -1.52104062 1.59768739 -0.60234715 -0.58992755 -0.42182457 8.41762468 2.37436535 4.43148357 11.29324996 12.43313555 13.50042229 17.75237534 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2508-47-6 17273 170465998 F A Estriol benzoate diacetate CC(=O)O[C@@H]4C5(C)CCC2C(CCc3cc(OC(=O)c1ccccc1)ccc23)C5C[C@H]4OC(C)=O Tox21_113698 -NCGC00168254-02 196723539 tox21-ror-cho-viability-p1 set3 4 29.8492948118 -14.438430608 -1.5 -15.938430608 0.4 0.4438934136 0.2314789687 -2.32922334 -1.35152767 -2.82195042 1.4891905 -2.01692994 -1.11139169 -1.36076674 -3.04284271 -11.61535884 -3.1750275 -6.2759809 0.47752439 -7.42120921 -8.88120947 -11.10742164 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59467-96-8 43032 170465015 A Midazolam hydrochloride Cl.Fc4ccccc4C2=NCc1cnc(C)n1c3ccc(Cl)cc23 Tox21_112613_1 -NCGC00260539-01 196723948 tox21-ror-cho-viability-p1 set3 4 -1.0489167 3.03883286 -1.0117022 -3.7191118 7.03934604 -2.84323154 -0.67476397 -9.25884642 2.40289067 -3.0683672 -3.2028484 2.04794376 2.31743187 1.04228337 1.42437114 6.052E-11 1.353E-10 3.0259999999E-10 6.7659999999E-10 1.513E-9 3.383E-9 7.5649999999E-9 1.692E-8 3.782E-8 8.458E-8 1.891E-7 4.2289999999E-7 9.456E-7 0.0000021139999999 0.0000047279999999 112-69-6 16221 144210192 F Fns Dimethylcetylamine CN(C)CCCCCCCCCCCCCCCC Tox21_202994 -NCGC00015122-11 196722738 tox21-ror-cho-viability-p1 set3 4 2.9849294812 -12.59219242 1 -11.59219242 3.5722481694 0.5771869079 0.1288621565 0.79152514 -3.04736624 -1.25211177 8.80923974 2.62122506 9.72397315 -4.67786409 -5.13261574 3.62892896 0.42820901 -0.48341655 -8.40087194 -11.05983222 -12.16016035 -3.17171648 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 31677-93-7 62884 170464747 C Bupropion hydrochloride Cl.O=C(c1cc(Cl)ccc1)C(C)NC(C)(C)C Tox21_110621_1 -NCGC00160628-03 196722324 tox21-ror-cho-viability-p1 set3 4 9.4391758155 8.9653209241 0.5346790759 9.5 4.9549173134 0.6288820938 0.0779383068 0.98619419 2.02615952 1.95170956 2.55932144 -3.10820853 -0.80125329 2.34572117 3.997857 -2.56118725 3.7035065 0.07455073 -3.72110077 4.76780476 10.86644081 8.00741217 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 153-18-4 5280805 170465691 A Rutin trihydrate Oc1ccc(cc1O)C=4Oc5cc(O)cc(O)c5C(=O)C=4O[C@@H]3O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]3O Tox21_111945_1 -NCGC00159376-04 196722326 tox21-ror-cho-viability-p1 set3 4 2.6603212004 -8.4486844439 3 -5.4486844439 4.9549173134 0.5275268752 0.1547549664 3.67830663 2.78473738 2.18517411 3.97097364 -3.31250725 3.35998558 3.49071705 5.67119249 10.95902613 -3.58566893 4.27239278 -8.29057037 -3.48184008 -6.18499176 -3.89934024 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 99-76-3 7456 170465480 A Methylparaben Oc1ccc(cc1)C(=O)OC Tox21_111616_1 -NCGC00260201-01 196724681 tox21-ror-cho-viability-p1 set3 -2.2 26.9454243393 -34.357273188 -0.5 -34.857273188 1.8079476909 0.9591248485 0.0000027712 -4.89015726 -1.04210228 -1.64850534 -1.54123581 -0.62075629 -1.00717805 2.92475623 1.79449365 0.79572731 2.89085794 -3.342058 -3.83700548 -12.10013651 -23.89880291 -32.38106099 1.167E-9 2.609E-9 5.8339999999E-9 1.305E-8 2.917E-8 6.523E-8 1.459E-7 3.261E-7 7.2929999999E-7 0.000001631 0.000003646 0.000008153 0.00001823 0.00004077 0.000091159999999 61545-99-1 60196376 144209851 F F 1-Methyl-3-octylimidazolium bromide Br.CN1C=CN(CCCCCCCC)C1 Tox21_202653 -NCGC00260133-01 196724269 tox21-ror-cho-viability-p1 set3 4 0.0241545629 8.2275204359 -7.7275204359 0.5 4.9549173134 0.4097541541 0.2626150822 2.44218998 -14.35626703 -11.8553586 -5.33053456 -10.44372604 1.37272139 1.03186721 -0.62306709 2.47007655 0.88693355 0.5706982 1.5046222 -1.27623239 -8.58199138 7.36825416 5.9909999999E-10 1.34E-9 2.9949999999E-9 6.698E-9 1.498E-8 3.349E-8 7.4879999999E-8 1.6739999999E-7 3.744E-7 8.372E-7 0.000001872 0.0000041859999999 0.0000093599999999 0.000020929999999 0.000046799999999 531-85-1 10754 144209782 A A Benzidine dihydrochloride Cl.Cl.Nc1ccc(cc1)c2ccc(N)cc2 Tox21_202584 -NCGC00090942-03 196724687 tox21-ror-cho-viability-p1 set3 -2.1 48.5577336745 -94.6628458044 -1.307692264 -95.9705380684 2.0478617061 0.9679629744 7.041E-7 -11.21429493 -8.08910868 0.70459112 0.49380702 1.50569718 0.97577759 -2.11102133 1.58409077 0.44902541 0.79202949 0.81585256 -3.09663047 -15.60986031 -38.41809625 -76.49283187 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00344544-01 196725085 tox21-ror-cho-viability-p1 set3 4 1.51978608 -0.80498139 0.13101116 -2.19605757 10.47247655 3.71301195 -0.66555733 10.69918311 -0.12513151 4.92644082 -1.58851415 -1.94005222 4.67899604 -2.22727572 -2.36987268 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 81409-90-7 54746 170464667 A Cabergoline CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@@H]2c3cccc4ncc(C[C@H]2N(C1)CC=C)c34 Tox21_112589_1 -NCGC00016572-12 196725099 tox21-ror-cho-viability-p1 set3 -2.4 10.5909294584 -23.834247536 -2.5 -26.334247536 1.331 0.8785551272 0.000838882 -3.84929765 0 -3.29567643 -3.44558987 -2.20499842 -1.43336504 -2.86447711 -1.38999893 -8.38079664 -5.99939025 -0.40461345 -4.353133 -16.37459194 -19.45905046 -23.19520628 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1220-83-3 5332 170465768 A Sulfamonomethoxine O=S(=O)(Nc1cc(OC)ncn1)c2ccc(N)cc2 Tox21_110502_1 -NCGC00015245-10 196725100 tox21-ror-cho-viability-p1 set3 4 -5.29546104 -11.39555493 -7.4438087 4.21645826 -2.73408726 -7.50875818 4.26000958 -0.02980152 3.20679757 3.12604553 1.25891509 -8.17262526 -4.64669727 -6.82778913 -8.5013407 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 590-63-6 11548 170464912 Z Bethanechol chloride [Cl-].C[N+](C)(C)CC(C)OC(=O)N Tox21_112028_1 -NCGC00253607-01 196725101 tox21-ror-cho-viability-p1 set3 4 0.016785492 7.807292424 0.692707576 8.5 1.6266150999 0.4384871935 0.2359136544 -0.25607702 1.53585227 2.62404253 0.23069959 5.6266322 2.977418 12.73732456 11.06424554 5.96239886 6.08861562 0.40270167 10.30138102 6.83454139 15.49856207 8.28815501 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 116308-55-5 122073 170465844 A A Watanidipine [O-][N+](=O)c1cccc(c1)C2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OCCc3ccc(cc3)N4CCN(CC4)C(c5ccccc5)c6ccccc6 Tox21_113741 -NCGC00016850-15 196725102 tox21-ror-cho-viability-p1 set3 4 0.0211316824 9.501621804 1.998378196 11.5 1.0999999999 0.336038212 0.3332703254 3.36895853 3.09209799 3.60086233 0.20066194 4.27231017 9.05714317 15.9031416 8.35785383 -0.41801817 21.6209261 17.23144385 6.15471865 14.85144659 7.30232957 9.94201478 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 41859-67-0 39042 170465743 A Bezafibrate O=C(NCCc1ccc(OC(C)(C)C(=O)O)cc1)c2ccc(Cl)cc2 Tox21_110645_1 -NCGC00274064-01 196725503 tox21-ror-cho-viability-p1 set3 4 0.52771675 -7.58860038 10.85319143 4.13321952 1.13432438 0.79013053 -3.98141851 -4.25527182 -4.04527194 -5.18084053 -0.60462696 3.95816578 -5.81266805 -0.44633391 -0.330895 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33755-46-3 63047 170465191 I Betamethasone valerate OCC(=O)[C@@]4(OC(=O)CCCC)[C@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_111565_1 -NCGC00259091-01 196708685 tox21-ror-cho-viability-p1 set2 4 0.9855695 -4.72817113 0.01448971 -1.99027767 1.10399027 -2.6439492 -3.90307131 1.22696737 -4.73955231 1.41443505 0.16680632 -5.57134483 -5.96151408 -6.50978739 -0.83888847 1.1919999999E-9 2.6659999999E-9 5.9609999999E-9 1.333E-8 2.981E-8 6.6649999999E-8 1.49E-7 3.332E-7 7.451E-7 0.0000016659999999 0.000003726 0.0000083309999999 0.00001863 0.000041649999999 0.000093139999999 7659-86-1 24309 144208739 A Ac 2-Ethylhexyl sulfanylacetate CCC(CCCC)COC(=O)CS Tox21_201541 -NCGC00256738-01 196708278 tox21-ror-cho-viability-p1 set1 -1.1 0.7695882154 -82.2078401207 -6.372064183 -88.5799043037 1.8851180601 0.9830283861 1.83E-8 -5.09561906 -3.76284309 0.28192421 -5.39797237 -16.97100464 -10.4177276 -6.73273757 -20.92767038 -48.24894654 -70.36231369 -86.90160454 -93.16560372 -93.43871762 -86.74938794 -78.97773627 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1162-06-7 16682953 144212799 F F Triphenyllead acetate CC(=O)O[Pb](c1ccccc1)(c2ccccc2)c3ccccc3 Tox21_302482 -NCGC00090750-04 196708285 tox21-ror-cho-viability-p1 set1 4 69.4274967035 -11.9681367439 1.5 -10.4681367439 4.9549173134 0.6656336962 0.0564315864 -0.68132305 1.040655 -1.51972214 1.28695321 1.90993669 3.3097024 2.26871905 0.90792701 0.88816052 -0.33815158 2.97339215 4.66402432 -1.15711817 1.45354436 -8.30678062 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00257472-01 196708286 tox21-ror-cho-viability-p1 set1 4 3.49253916 4.5738111 3.99837161 -0.33768356 3.97909601 0.82193289 1.91644971 1.93233655 0.09483704 3.00354762 -0.27465845 6.62083937 -0.13040241 3.45600479 6.10618044 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-69-3 6548 144213778 A A 3,7-Dimethyl-3-octanol CCC(C)(O)CCCC(C)C Tox21_303468 -NCGC00259358-01 196708686 tox21-ror-cho-viability-p1 set2 4 -1.30057357 2.52194 0.87092865 3.80879597 -0.02370017 -0.43353567 -1.70350815 0.00666051 -2.2141515 -2.61492064 -1.17821662 0.00084679 -1.46639427 -0.64273627 -0.94103854 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.0000036659999999 0.000008198 0.00001833 0.00004099 0.000091659999999 50-33-9 4781 144209007 B C Phenylbutazone O=C3C(CCCC)C(=O)N(c1ccccc1)N3c2ccccc2 Tox21_201809 -NCGC00259969-01 196708698 tox21-ror-cho-viability-p1 set2 4 -1.18671756 -1.94025672 -2.95301396 -1.60498443 -2.68905636 -2.09008851 -0.8425371 -2.77989431 1.5049526 -1.20829439 -0.89598861 -1.07147312 -2.73208021 -4.24853049 0.26191249 1.1999999999E-9 2.684E-9 6.001E-9 1.3419999999E-8 3E-8 6.7089999999E-8 1.5E-7 3.355E-7 7.5009999999E-7 0.000001677 0.0000037509999999 0.000008387 0.00001875 0.00004193 0.00009376 84-75-3 6786 144209618 A A Dihexyl phthalate O=C(OCCCCCC)c1ccccc1C(=O)OCCCCCC Tox21_202420 -NCGC00090962-05 196708700 tox21-ror-cho-viability-p1 set2 4 21.5576648745 -13.107150976 -1 -14.107150976 1.6266150999 0.9427852573 0.0000179079 0.27664139 -1.57389209 -0.58211274 1.07182126 -0.95384943 -2.38611398 -1.89027719 -2.70980045 -0.75365525 -1.02354106 -1.30900568 -3.5357655 -6.59371563 -10.72414538 -12.58929248 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00259021-01 196708701 tox21-ror-cho-viability-p1 set2 4 0.07823661 -0.59003573 -1.5012934 -0.66905959 0.21299828 -2.01622515 -0.27679783 -2.14529281 -1.22819194 -1.8530136 -0.07459416 0.30947936 -0.13151701 2.47886794 3.29169012 1.165E-9 2.606E-9 5.827E-9 1.303E-8 2.9139999999E-8 6.515E-8 1.457E-7 3.2579999999E-7 7.284E-7 0.000001629 0.0000036419999999 0.000008144 0.00001821 0.000040719999999 0.000091049999999 111-11-5 8091 144208668 AC Ac Methyl octanoate O=C(CCCCCCC)OC Tox21_201470 -NCGC00260092-01 196702903 tox21-ror-cho-viability-p1 set1 4 5.5148220898 4.7369808119 -0.2369808119 4.5 4.9549173134 0.3288195806 0.3422285175 5.88542845 2.05852291 5.12843367 -2.63814435 -3.11460515 -1.43856053 -0.22242079 -0.30620038 -1.78838712 -6.44748401 -0.67618529 5.63577556 5.76000797 2.62252141 4.08347651 1.1919999999E-9 2.6649999999E-9 5.96E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.332E-7 7.45E-7 0.0000016659999999 0.000003725 0.000008329 0.00001862 0.00004164 0.00009312 79-01-6 6575 144209741 Fns Trichloroethylene Cl\C=C(/Cl)Cl Tox21_202543 -NCGC00258785-01 196702892 tox21-ror-cho-viability-p1 set1 4 -0.96681031 -1.75090453 0.22943912 -0.20286384 -5.07924435 -4.69505969 0.14411661 -3.44795409 -5.24068381 -3.83622966 -1.53873672 -5.77472479 -4.74997177 -0.46157683 -2.17877672 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 134-32-7 8640 144208431 A A 1-Naphthylamine Nc2cccc1ccccc12 Tox21_201233 -NCGC00260165-01 196702895 tox21-ror-cho-viability-p1 set1 4 -2.42607914 0.1334053 2.11114936 -0.51690851 -3.03358139 -0.07124109 3.07829418 -0.57381822 0.92635453 1.36455776 -13.18369496 1.9078096 0.25559745 2.80170448 2.54314029 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.0000036889999999 0.000008248 0.00001844 0.00004124 0.00009222 174899-83-3 11258643 144209815 A A 1-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide CCCCn1cc[n+](C)c1.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F Tox21_202617 -NCGC00357251-01 196702898 tox21-ror-cho-viability-p1 set1 4 -2.50545075 -2.98452079 -0.55353069 -0.15868861 0.37679046 0.18007509 -5.97224108 -0.92269303 -1.56716948 0.45529065 1.02751904 -2.13959445 0.68836944 -4.33953366 0.98566691 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71441-28-6 5289501 251919756 C Arotinoid acid O=C(O)c1ccc(cc1)\C=C(/C)c2ccc3c(c2)C(C)(C)CCC3(C)C Tox21_304044 -NCGC00357017-01 196702904 tox21-ror-cho-viability-p1 set1 -2.1 43.2771256911 -104.1783460748 -1.927757863 -106.1061039378 2.3331733767 0.9732332984 2.534E-7 -0.13534402 -0.26106628 -6.26153063 -2.20471396 -0.03740863 -2.60144908 -5.12616746 -4.05996264 -3.21784984 -0.99279259 -1.78125878 -3.99031004 -2.24951508 -58.00423253 -88.8660837 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24038-68-4 13059052 251919989 A BisOPP-A Oc2ccc(cc2c1ccccc1)C(C)(C)c3ccc(O)c(c3)c4ccccc4 Tox21_303963 -NCGC00259936-01 196705616 tox21-ror-cho-viability-p1 set1 4 9.24228634 6.08190511 4.43256034 6.13939184 -0.39520548 0.5843297 1.81633767 1.30656271 9.59644937 3.14673486 5.00494373 1.96852053 2.28152746 2.02966151 1.16516469 1.15E-9 2.571E-9 5.749E-9 1.285E-8 2.874E-8 6.4269999999E-8 1.437E-7 3.214E-7 7.186E-7 0.0000016069999999 0.0000035929999999 0.000008034 0.00001796 0.000040169999999 0.000089819999999 140-67-0 8815 144209585 A A Estragole COc1ccc(CC=C)cc1 Tox21_202387 -NCGC00259033-01 196705617 tox21-ror-cho-viability-p1 set1 4 -0.81278919 -0.65584316 -0.52458814 2.87000128 -0.09544976 -3.25388159 0.11447318 -5.79089685 0.33972874 8.51112288 -1.46033133 -0.05510476 -3.06464227 2.67221718 2.80857912 1.2319999999E-9 2.755E-9 6.161E-9 1.378E-8 3.08E-8 6.8879999999E-8 1.54E-7 3.444E-7 7.7009999999E-7 0.000001722 0.000003851 0.0000086099999999 0.00001925 0.000043049999999 0.00009626 111-49-9 8119 144208680 A Fns Hexamethyleneimine C1CCCCCN1 Tox21_201482 -NCGC00259703-01 196705622 tox21-ror-cho-viability-p1 set1 4 0.0027417133 12.75492976 -11.75492976 1 2.3331733767 0.6787044766 0.0488785829 -9.7957748 -6.39651325 -0.30492859 2.315024 0.15945021 -3.70345563 4.34385343 0.71510141 5.49727399 0 -0.02619415 -0.80847109 0.18362054 -0.54826401 1.65678272 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004136 0.00009247 1936-15-8 9566064 144209352 A F C.I. Acid Orange 10 [Na+].[Na+].[O-]S(=O)(=O)c3cc(cc2ccc(O)c(/N=N/c1ccccc1)c23)S([O-])(=O)=O Tox21_202154 -NCGC00259094-01 196705631 tox21-ror-cho-viability-p1 set1 4 0.63099894 -1.75536999 -9.34655653 -7.53624399 -0.76204385 -1.80778193 -0.49342846 -8.45269383 1.03177837 0 -1.13747803 1.42525977 -0.33189995 -3.85863458 2.50443977 1.197E-9 2.676E-9 5.983E-9 1.338E-8 2.9909999999E-8 6.689E-8 1.496E-7 3.344E-7 7.478E-7 0.0000016719999999 0.0000037389999999 0.000008361 0.000018699999999 0.00004181 0.00009348 58-15-1 6009 144208742 A A 4-Dimethylaminoantipyrine CN(C)C=2C(=O)N(c1ccccc1)N(C)C=2C Tox21_201544 -NCGC00259233-01 196706028 tox21-ror-cho-viability-p1 set1 4 0.0015668142 13.175485576 -11.675485576 1.5 4.9549173134 0.6415145127 0.0703932064 -8.89623798 1.46688327 0.23658018 1.1633257 0.47547134 1.2245766 2.16189805 -1.14558041 4.69456502 5.62647792 1.68959242 -1.83745634 -0.64461825 1.59970784 1.32812244 1.1999999999E-9 2.683E-9 5.999E-9 1.3409999999E-8 2.999E-8 6.707E-8 1.5E-7 3.353E-7 7.498E-7 0.000001677 0.000003749 0.000008383 0.00001875 0.00004192 0.00009373 94-52-0 7195 144208882 A A 6-Nitrobenzimidazole [O-][N+](=O)c1cc2ncnc2cc1 Tox21_201684 -NCGC00259982-01 196706032 tox21-ror-cho-viability-p1 set1 4 5.81082047 6.07110585 0.40410177 -0.18668843 0.83500337 -0.7537713 1.13270427 -0.81148506 4.05123338 12.46504833 1.8785495 2.54483104 0.11194303 1.70830706 2.97212588 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-54-1 7338 144209631 A A Isoeugenol Oc1ccc(cc1OC)C=CC Tox21_202433 -NCGC00259495-01 196706038 tox21-ror-cho-viability-p1 set1 4 0.0545935043 11.013133768 -11.013133768 0 1.24751 0.6049328847 0.1074186837 -9.62807716 -8.6274108 -12.64740438 -14.59427814 -0.49805892 -9.88159708 0.18772145 0.36739676 -6.29225455 0 1.88465262 1.29692602 3.91663523 -3.00403483 -4.9590073 1.182E-9 2.6429999999E-9 5.91E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.304E-7 7.387E-7 0.0000016519999999 0.0000036939999999 0.000008259 0.000018469999999 0.000041299999999 0.00009234 156-43-4 9076 144209144 A A 4-Ethoxyaniline CCOc1ccc(N)cc1 Tox21_201946 -NCGC00255418-01 196701086 tox21-ror-cho-viability-p1 set1 4 3.4376242854 5.8695445 -3.3695445 2.5 4.9549173134 0.5273023288 0.1561374786 -1.46007718 -3.41838974 -7.80795375 -4.91423204 1.95417785 -3.88681746 -4.51415087 0.50447469 -5.29589919 -3.00917897 0.32528111 4.54345902 3.44749311 0.15409017 1.82428372 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 525-79-1 3830 144211531 A A Kinetin N1C=NC3=NC=NC3=C1NCc2ccco2 Tox21_301214 -NCGC00255871-01 196701071 tox21-ror-cho-viability-p1 set1 4 0.39972657 0.01725214 0.58702006 0.34763372 -0.22816308 -1.07713891 2.55198567 0.15122904 -0.20550185 -0.29309521 3.01413639 0.95767894 -0.84963483 0.88870278 3.98922892 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2403-89-6 75472 144212394 A A 1,2,2,6,6-Pentamethylpiperidin-4-ol CC1(C)CC(O)CC(C)(C)N1C Tox21_302077 -NCGC00255501-01 196701073 tox21-ror-cho-viability-p1 set1 -1.1 24.3365162115 -79.5881063939 -7.838748915 -87.4268553089 2.3331733767 0.9482815872 0.0000101033 -3.31746765 -10.20701232 -1.0394643 -10.68191772 -22.3946702 -4.17641148 -1.09908809 -1.52108835 -9.69575147 -5.99100629 -14.39227843 -15.16202517 -31.77409354 -73.22484183 -81.95338185 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-85-8 1730 144212178 A 4-Chloromercuribenzoic acid OC(=O)c1ccc([Hg]Cl)cc1 Tox21_301861 -NCGC00255859-01 196701085 tox21-ror-cho-viability-p1 set1 4 0.23077619 0.2029695 -6.41838166 -0.58916379 0.29548125 0.74218967 -8.24505471 0.4708071 0.40307758 -1.21700486 4.0938186 0.17560631 0.01790552 0.39838024 -0.26353449 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 512-42-5 2735086 144211633 Ac Sodium methyl sulfate [Na+].[O-]S(=O)(=O)OC Tox21_301316 -NCGC00258704-01 196701479 tox21-ror-cho-viability-p1 set1 4 3.73345909 3.08096977 0.44742369 3.70497954 -0.02653195 -0.66452854 1.92790512 8.10835646 5.37847423 -15.50147564 4.63422073 2.61346219 1.68318397 -0.30270738 2.7067488 1.2359999999E-9 2.764E-9 6.18E-9 1.382E-8 3.09E-8 6.9099999999E-8 1.545E-7 3.4549999999E-7 7.7249999999E-7 0.000001727 0.000003863 0.000008637 0.000019309999999 0.00004319 0.000096569999999 286-20-4 9246 144208350 D Cyclohexene oxide C1CCCC2OC12 Tox21_201152 -NCGC00090986-03 196701492 tox21-ror-cho-viability-p1 set1 -3 61.5037543138 -39.3651265254 1 -38.3651265254 4.9549173134 0.8953009107 0.000405405 -2.14961802 -1.93550391 -3.29064364 4.61416792 1.0274109 4.41064457 -2.39127356 -1.722767 4.58465606 5.47973922 2.58864674 -1.46155987 3.91833665 -3.78813277 -33.62311629 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00260157-01 196724575 tox21-ror-cho-viability-p1 set3 4 -2.51107708 6.62873102 2.01083672 -1.51466564 4.41811124 3.81947507 1.88508549 5.39143644 3.81175557 -1.19794274 6.54434453 4.14975503 3.74889388 1.00322703 8.6935195 1.182E-9 2.6429999999E-9 5.9109999999E-9 1.322E-8 2.955E-8 6.608E-8 1.4779999999E-7 3.304E-7 7.388E-7 0.0000016519999999 0.0000036939999999 0.0000082599999999 0.000018469999999 0.000041299999999 0.00009235 4655-34-9 20769 144209807 Fns Isopropyl methacrylate C=C(C)C(=O)OC(C)C Tox21_202609 -NCGC00260033-01 196724570 tox21-ror-cho-viability-p1 set3 4 12.1971512362 15.180174456 -5.180174456 10 0.3 0.6594433203 0.0594051817 -4.98066893 -5.15014538 -3.07396717 -3.23708776 -2.0206458 -0.72291519 -2.09505519 -3.54524436 -1.53778798 1.63517959 0.64835949 6.24438442 -1.64997418 1.72589349 7.34897033 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041219999999 0.00009218 1397-89-3 5280965 144209682 FNS Amphotericin B O=C(O)[C@@H]3[C@@H](O)C[C@@]2(O)C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)C=CC=CC=CC=CC=CC=CC=C[C@H](O[C@@H]1O[C@H](C)[C@@H](O)[C@H](N)[C@@H]1O)C[C@@H]3O2 Tox21_202484 -NCGC00357230-01 196724576 tox21-ror-cho-viability-p1 set3 -2.4 24.3365162115 -20.887082852 -0.5 -21.387082852 1.98874246 0.8226737147 0.0047727355 -6.68946063 -3.74966445 -3.12026094 -2.04113621 0.11901617 0.6139633 -0.41205175 4.02747535 -1.85020976 2.81807085 2.9311499 -3.98179354 -8.98807975 -14.55306759 -20.73923571 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 719-59-5 12870 251919939 A 2-Amino-5-chlorobenzophenone Nc2ccc(Cl)cc2C(=O)c1ccccc1 Tox21_304017 -NCGC00260485-01 196724584 tox21-ror-cho-viability-p1 set3 4 -3.9924463 1.85860556 3.89874294 -2.47092868 4.73078806 -5.1596122 -1.21593521 -5.60338983 3.30050897 -4.34945266 0.75370474 1.28513841 -3.61836713 -2.93797735 7.11931486 1.1779999999E-9 2.635E-9 5.891E-9 1.3169999999E-8 2.9459999999E-8 6.587E-8 1.4729999999E-7 3.2929999999E-7 7.364E-7 0.0000016469999999 0.0000036819999999 0.000008233 0.000018409999999 0.00004117 0.000092049999999 6674-22-2 81184 144210137 A A 1,8-Diazabicyclo[5.4.0]undec-7-ene C1CCC2=NCCCN2CC1 Tox21_202939 -NCGC00258902-01 196724586 tox21-ror-cho-viability-p1 set3 -1.2 3.0544411044 -53.5632856313 -3.2431682449 -56.8064538762 1.2221 0.91509578 0.0001402813 8.79790414 -4.13081759 -6.57242541 -3.67379664 -10.67097003 -7.36400084 -2.4904488 1.8215859 -22.15490612 -12.55935785 -35.84151342 -50.21294076 -43.13319169 -54.25418367 -58.63377831 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.000091989999999 70-30-4 3598 144208548 A A Hexachlorophene Clc2c(Cc1c(O)c(Cl)cc(Cl)c1Cl)c(O)c(Cl)cc2Cl Tox21_201350 -NCGC00016872-12 196724993 tox21-ror-cho-viability-p1 set3 4 0.084126743 14.2312466559 -3.7312466559 10.5 4.9549173134 0.7819712471 0.0113588148 -7.49038399 -4.55815816 -8.52603888 -0.23376809 1.50024125 -4.01352385 1.41531911 14.31549175 6.53536732 12.58671367 9.29776542 3.14075606 10.30781866 15.0201861 13.66845125 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55142-85-3 5472 170464698 A Ticlopidine hydrochloride Clc3ccccc3CN1CCc2sccc2C1 Tox21_110658_1 -NCGC00357160-01 196724588 tox21-ror-cho-viability-p1 set3 4 -2.54721031 3.6258413 -13.40144817 3.43300992 -2.18708976 -3.38547588 4.59938022 -0.98241425 -1.77669689 -2.86272679 -2.58250298 -4.53111311 -4.0549279 -1.63914783 1.71913527 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10416-59-8 25248 251919840 F N,O-bis(Trimethylsilyl)acetamide C[Si](C)(C)OC(\C)=N/[Si](C)(C)C Tox21_303908 -NCGC00016896-06 196724980 tox21-ror-cho-viability-p1 set3 4 2.91240516 -7.25911305 -0.66971758 -2.97834232 -1.30629109 -3.23818668 1.40222747 -3.99781361 -0.01095789 -0.15119752 -1.44433585 -5.31949429 2.89657968 -4.43042978 -6.79251289 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60719-84-8 3698 170465367 Z Amrinone NC1=CC(=CNC1=O)c2ccncc2 Tox21_112110_1 -NCGC00016819-05 196724989 tox21-ror-cho-viability-p1 set3 4 7.4978038628 8.131316624 -4.631316624 3.5 1.8616924601 0.4745942616 0.2028758732 -3.49716984 1.75751987 -8.42902124 -8.85943052 -5.5940306 -7.0125628 -6.97669245 -1.89097298 -1.01586798 -5.32002173 -4.66581341 -1.7102531 -1.39973952 4.34333162 1.97206799 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33342-05-1 91610 170465581 A Gliquidone O=C(NC1CCCCC1)NS(=O)(=O)c2ccc(cc2)CCN4C(=O)c3cc(ccc3C(C)(C)C4=O)OC Tox21_110629_1 -NCGC00164493-02 196725005 tox21-ror-cho-viability-p1 set3 -1.1 0.1635346279 -88.6400090798 6.8121556578 -81.827853422 4.9549173134 0.9538621189 0.0000053996 -2.92710314 0.22696238 8.51622994 7.13439381 0 12.34693336 14.51455423 14.7100177 -54.9158553 -75.83393657 -71.54071518 -68.27041609 -76.52684371 -98.2146649 -98.82590993 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 3696-28-4 3109 170465699 A Dipyrithione [O-][n+]2ccccc2SSc1cccc[n+]1[O-] Tox21_112131_1 -NCGC00261983-01 196713595 tox21-ror-cho-viability-p1 set2 4 -3.11841755 -2.12271341 -2.84329695 -1.16055368 -5.51864717 1.03533915 -4.0038068 2.75452355 2.09683629 2.33404884 -5.35627867 -3.11068541 -0.89671856 2.38908723 3.33876765 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67765-04-2 208916 170466287 A A Enefexine CCc1ccc(cc1)C2CCNCC2 Tox21_113902 -NCGC00015955-16 196713190 tox21-ror-cho-viability-p1 set2 4 0.026603212 -4.193715272 1.5 -2.693715272 4.9549173134 0.4311872226 0.2627554741 1.72053737 4.0816642 -1.06555704 0.05017567 1.70314647 -1.54922296 -8.07809606 -0.50894087 0.58146209 -2.8185036 -4.06599031 -1.93735585 -3.48329067 -1.26545839 0.15739545 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 18559-94-9 2083 170465034 I Salbutamol sulfate OCc1cc(ccc1O)C(O)CNC(C)(C)C Tox21_110266_1 -NCGC00344561-01 196713193 tox21-ror-cho-viability-p1 set2 4 6.23842083 1.70026353 -2.10230477 2.78205814 1.80045213 3.24153452 -1.8005732 -1.8717371 0.31090652 -0.81838306 1.19656567 -1.14024314 2.31443935 6.24236333 0.06479741 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35189-28-7 6540478 170464733 I Norgestimate CC(=O)O[C@@]3(C#C)CC[C@H]2[C@@H]4CCC1=CC(\CC[C@@H]1[C@H]4CC[C@@]23CC)=N\O Tox21_112811_1 -NCGC00090780-04 196713202 tox21-ror-cho-viability-p1 set2 4 0.0108707225 -15.3523687759 13 -2.3523687759 0.6999999999 0.7183071469 0.0305979813 9.69812317 9.44184731 8.73838405 -0.80305129 8.23474123 -0.08127402 -1.69180238 -2.07952783 -1.93063987 -1.54479834 0.56538473 -1.2335133 -6.12697398 0.87073478 -3.28630655 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00253750-01 196713598 tox21-ror-cho-viability-p1 set2 4 -2.68231846 0.36949651 -0.65687886 0.54023205 0.73041823 -0.01437462 -3.18187571 0.72748393 0.26647046 0.22725469 0.02775458 2.39632633 -0.32691059 0.97211109 5.07935102 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66304-03-8 68862 170466558 A F Epicainide CCN3CCCC3CNC(=O)C(O)(c1ccccc1)c2ccccc2 Tox21_113865 -NCGC00263533-01 196713602 tox21-ror-cho-viability-p1 set2 4 2.97509618 -0.3171203 -1.426662 -1.76690292 2.75289817 1.26900945 -0.52553601 -0.27413921 -0.1293901 -2.34690965 -2.70879126 -3.4835213 1.87124462 -4.1287752 1.52451559 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 39809-25-1 4725 170464955 A Penciclovir OCC(CO)CCn2cnc1c2NC(N)=NC1=O Tox21_112248_1 -NCGC00016866-11 196713609 tox21-ror-cho-viability-p1 set2 4 0.0237101377 -12.137999596 6.5 -5.637999596 0.4 0.7373563945 0.0305276051 4.84018404 1.49116611 5.66038877 0.94364355 0.34499654 -2.2813336 0.51295225 -0.19240476 -1.73993098 -5.10041917 -1.85404903 -6.78166633 -5.75196081 -2.56431169 0.36305369 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51940-44-4 4831 170465767 A Pipemidic acid O=C(O)C2=CN(CC)c1nc(ncc1C2=O)N3CCNCC3 Tox21_110655_1 -NCGC00357031-01 196712394 tox21-ror-cho-viability-p1 set2 4 -0.15820025 -0.68916328 -3.42828565 -2.49358884 -0.28919914 -1.34516795 -0.53990908 -0.2536484 -0.81474716 0.29526368 -0.06122943 -0.0270176 4.78849406 -5.9222909 -0.60560273 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-46-6 6539 251919946 A Dibutyl butylphosphonate CCCCOP(=O)(OCCCC)CCCC Tox21_303718 -NCGC00357220-01 196712374 tox21-ror-cho-viability-p1 set2 2.4 68.5896218971 32.7622080001 1.2377919999 34 4.9549173134 0.9639362516 0.0000013822 1.58786366 -1.05184 -0.7662211 2.06870315 2.26060398 -0.28044587 3.58262316 0.83866311 2.59804818 0.80472784 0.63669026 2.60425259 2.27502394 3.17441449 27.89852572 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23696-85-7 5366074 251919759 Fns Damascenone CC=1C=CCC(C)(C)C=1C(=O)\C=C\C Tox21_304001 -NCGC00260536-01 196712376 tox21-ror-cho-viability-p1 set2 4 27.2504920471 -16.6719099199 -1 -17.6719099199 4.9549173134 0.8436092419 0.0027395188 -0.6679595 0 -4.05336752 -2.11789723 -1.31543031 1.92558966 -2.79104848 -1.47127045 -1.73063004 1.55466254 -1.15533798 -4.16807229 0 -19.7265916 -14.35493249 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.3169999999E-8 2.944E-8 6.583E-8 1.472E-7 3.2919999999E-7 7.3599999999E-7 0.0000016459999999 0.00000368 0.0000082289999999 0.000018399999999 0.00004115 0.000092 85-68-7 2347 144210189 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_202991 -NCGC00260590-01 196712391 tox21-ror-cho-viability-p1 set2 4 37.5780357627 -30.321931856 -4 -34.321931856 0.7999999999 0.5371471815 0.1460409696 0.20412734 -0.05821416 -3.17527792 -5.37788977 -5.23501958 -8.31892465 -3.8191777 -12.6161331 -3.90652455 -0.37687547 -13.64644088 -5.24801709 -1.27869276 -14.63338118 -28.60160988 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49486 144210243 M M NTP Mix34 CT1 1-EQP Tox21_203045 -NCGC00260592-01 196712398 tox21-ror-cho-viability-p1 set2 4 -0.29773033 -2.96225875 -4.00440361 -5.35625293 -0.69459895 -12.66814144 0 -14.72344333 -2.20826419 -15.86260803 -6.34849381 0 -20.48631672 -9.75968798 -16.37130673 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49488 144210245 M M NTP Mix48 CT1 3-EQP Tox21_203047 -NCGC00090708-05 196712810 tox21-ror-cho-viability-p1 set2 -2.2 15.3553036427 -41.8134993478 -1.000835463 -42.8143348108 2.2526478767 0.9844890816 4.62E-8 -1.1182509 -1.20115859 -3.44602142 -0.02083496 -0.38935814 -3.12380144 -0.95135073 -2.88448509 1.51264644 0.4388009 -1.16760177 -9.82593643 -26.75480794 -38.49570819 -17.49455391 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00357223-01 196711383 tox21-ror-cho-viability-p1 set2 4 -0.12191704 1.19028933 1.32283847 -3.77486181 2.1430172 -2.76142468 1.58229602 -2.42900495 -1.2392956 -2.23543283 -2.41192355 0.47187219 -1.49309804 -0.8007543 -1.54097109 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 615-13-4 11983 251919919 Bc 1,3-Dihydro-2H-inden-2-one O=C1Cc2ccccc2C1 Tox21_304008 -NCGC00356979-01 196711364 tox21-ror-cho-viability-p1 set2 -3 2.4336516212 -60.8883450617 -4.572815169 -65.4611602307 2.7202212143 0.9350768941 0.2697662415 -3.05589702 -4.59226761 -10.42315599 -2.24165035 -3.96153216 0 -11.83473464 -0.89587784 -37.29962467 -0.41301858 -50.72815169 -22.86473554 -0.49757224 -49.2745979 -3.63630066 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 611-14-3 11903 251919830 Fns 1-Ethyl-2-methylbenzene Cc1ccccc1CC Tox21_303797 -NCGC00260281-01 196711372 tox21-ror-cho-viability-p1 set2 4 -6.04082244 -10.47970027 -13.9522987 -15.74441469 -14.18034287 -63.6573344 -25.96239183 -23.24524742 -3.4412682 -20.52588375 -46.79970506 -2.0431367 0 -8.35987452 -3.13183203 6.211E-11 1.3889999999E-10 3.106E-10 6.9439999999E-10 1.553E-9 3.4719999999E-9 7.764E-9 1.736E-8 3.882E-8 8.68E-8 1.941E-7 4.34E-7 9.705E-7 0.00000217 0.000004853 544-92-3 2724144 144209931 Copper cyanide [Cu+].[C-]#N Tox21_202733 -NCGC00260393-01 196711377 tox21-ror-cho-viability-p1 set2 4 -0.1232962 -8.7700751 -2.25786344 -8.3245255 -2.4816419 0 -18.5247693 -16.76150104 -12.97687181 0 -13.47066398 -10.70815015 -2.65159615 -1.31920014 -15.31873744 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.679E-8 1.494E-7 3.34E-7 7.468E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004175 0.000093349999999 56-18-8 5942 144210045 Z Z Iminobis-3-propylamine NCCCNCCCN Tox21_202847 -NCGC00357130-01 196711775 tox21-ror-cho-viability-p1 set2 4 0.4855773367 -9.6376934239 0.5 -9.1376934239 4.9549173134 0.4355713647 0.2547077202 -1.17437228 0.70299833 -0.35445977 0.70594063 1.70953222 -1.48725517 1.29916354 0.49100598 -9.40104889 -18.57020753 -9.28297697 -1.3588909 2.37327318 -18.86474452 14.4192975 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-72-3 7716 251919841 A Decylbenzene CCCCCCCCCCc1ccccc1 Tox21_303866 -NCGC00255670-01 196710570 tox21-ror-cho-viability-p1 set2 4 -4.40754446 -2.214762 0.17109724 -0.20647868 0.12743895 -3.55878603 -1.69692219 -0.51600861 -4.24207494 -1.33010938 0.81500467 -1.49868855 -1.06796708 -1.85894685 0.49389614 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74222-97-2 52997 144212160 F A Sulfometuron-methyl O=C(Nc1nc(C)cc(C)n1)NS(=O)(=O)c2ccccc2C(=O)OC Tox21_301843 -NCGC00255579-01 196710144 tox21-ror-cho-viability-p1 set2 -1.1 8.5822609669 -110.1656388713 2.5951857135 -107.5704531578 1.2221 0.980488285 4.11E-8 3.7067891 2.04948875 4.32414991 3.71975687 -1.69278291 4.75544589 3.8448652 2.79719981 -4.23019053 -20.60984678 -23.52778821 -40.48461062 -84.64534116 -99.05198265 -95.30747024 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 2390-60-5 75444 144211853 A A Basic Blue 7 [Cl-].CC/[N+](CC)=C1/C=C/C(C=C1)=C(\c3ccc(NCC)c2ccccc23)c4ccc(cc4)N(CC)CC Tox21_301536 -NCGC00255752-01 196710161 tox21-ror-cho-viability-p1 set2 4 0.24388353 -3.67604551 -3.09832417 -1.39048404 -0.85490266 -1.93730094 -0.02115169 1.44558402 -1.88323833 -0.56462627 -2.22435059 -1.56053583 -7.12640655 -3.66582514 -6.41874872 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4559-86-8 20691 144211832 A Fc 1,1,3,3-Tetrabutylurea CCCCN(CCCC)C(=O)N(CCCC)CCCC Tox21_301515 -NCGC00256008-01 196710567 tox21-ror-cho-viability-p1 set2 4 0.0024336516 13.11656132 -14.11656132 -1 0.5 0.3588167744 0.3127869434 -11.7638011 -4.14742342 -3.20099796 -5.48827494 -7.98285558 -6.30861922 1.64520698 -2.89834426 0.97368041 -0.93360309 -5.99366844 3.03070775 2.65773248 -6.68693279 -0.34909723 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 924-88-9 70213 144211858 A Ac Dipropan-2-yl butanedioate CC(C)OC(=O)CCC(=O)OC(C)C Tox21_301541 -NCGC00255853-01 196710576 tox21-ror-cho-viability-p1 set2 4 -0.36783573 2.23555794 0.76125585 2.24383619 -0.09220377 -0.307862 -0.95621194 -1.28574497 2.28316019 2.5444199 0.22950141 2.17608566 0.18802051 0.82459945 1.47074006 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 143-15-7 8919 144212363 F Ac 1-Bromododecane BrCCCCCCCCCCCC Tox21_302046 -NCGC00256249-01 196710968 tox21-ror-cho-viability-p1 set2 4 4.84176149 3.64675672 7.025325 4.60154147 0.62863961 1.58803908 1.47480871 0.90242194 1.15079476 2.3770961 1.81144626 -0.4310106 0.83010282 0.64717791 -1.44499714 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4630-07-3 9855795 144212714 Ac F Valencene C=C(C)[C@@H]1CCC2=CCC[C@@H](C)[C@]2(C)C1 Tox21_302397 -NCGC00256172-01 196710976 tox21-ror-cho-viability-p1 set2 4 1.11051239 3.61080115 1.53487184 2.9562474 1.18707261 -0.16539766 -0.88717472 -1.01203752 -0.04956834 1.17785163 3.22278959 -0.32452617 2.30703201 -1.24765788 1.95710899 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4205-91-8 20179 144211869 A A Clonidine hydrochloride Cl.Clc2cccc(Cl)c2\N=C1/NCCN1 Tox21_301552 -NCGC00255563-01 196710979 tox21-ror-cho-viability-p1 set2 4 0.75527273 0.14169192 -1.09444273 0.33801377 1.13904622 1.59095464 -0.84926004 -1.18924841 3.40119671 -0.06294656 4.17876384 -2.05232862 3.21489132 -1.79882302 2.89306537 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-35-6 13708 144212326 A D Methylparaoxon [O-][N+](=O)c1ccc(OP(=O)(OC)OC)cc1 Tox21_302009 -NCGC00256344-01 196726529 tox21-ror-cho-viability-p1 set3 -3 78.2912055491 -41.5289076746 -4 -45.5289076746 4.9549173134 0.6000565643 0.0966608422 -2.25784127 -2.07650934 1.50671011 2.01040473 -2.48832926 -1.93352719 -16.29971815 -17.47612949 -15.64782245 0 0 -2.05665133 -2.46081288 -1.1329581 -36.13405371 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 103-76-4 7677 144213198 A Fns 1-Piperazineethanol OCCN1CCNCC1 Tox21_302881 -NCGC00090704-03 196726123 tox21-ror-cho-viability-p1 set3 4 0.0030637859 11.472097604 -4.972097604 6.5 1.6258976909 0.3479814107 0.3381539794 -4.14341467 1.6236915 1.85417439 7.1302428 0.93848078 15.51760893 4.26303114 9.90569393 9.95368092 11.90152492 3.96229752 4.62567192 -0.25231524 4.6018836 -1.58927668 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00256787-01 196726536 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -10.83830758 0.5 -10.33830758 4.9549173134 0.7604936052 0.0172014868 -0.71578206 -0.5520564 0.00895495 -1.48487237 1.00474396 -0.05803714 -0.43326437 0.87664615 1.33338261 3.2576726 0.86778384 -0.28607442 -1.12383506 0.51946747 -8.19858965 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55066-56-3 62092 144212960 A F 4-Methylphenyl 3-methylbutanoate O=C(Oc1ccc(C)cc1)CC(C)C Tox21_302643 -NCGC00257009-01 196726537 tox21-ror-cho-viability-p1 set3 4 34.3762428541 8.1047882119 -0.1047882119 8 1.3987170999 0.3499098923 0.3226938457 -0.53169652 -0.17921489 2.49953459 2.4069837 4.32197901 2.06140555 -3.62863155 -6.33732351 -2.97499089 -0.182657 0 -0.29584233 4.54738245 2.42181736 7.10627479 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 134678-17-4 73339 144213464 A A Lamivudine NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)SC2 Tox21_303147 -NCGC00257501-01 196726932 tox21-ror-cho-viability-p1 set3 4 0.0076958822 -15.2908729441 17 1.7091270559 1.826479391 0.6902018754 0.0427468112 16.24547516 13.87935327 14.50332922 3.07710161 1.55701207 0.44564843 1.16290544 0.83216747 0.13374157 -0.24239412 1.10612089 2.01834891 3.27086596 11.55421792 6.05757484 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_48514 60196438 144213716 F F PharmaGSID_48514 [Na+].O=C([N-]S(=O)(=O)/C=C/c1ccc(OC)cc1)c2ccc(C)cc2Cl Tox21_303405 -NCGC00256789-01 196727024 tox21-ror-cho-viability-p1 set3 4 -6.55979467 -8.4946986 0.73649546 -6.25085205 0.60825011 -0.22936317 -0.41511009 -0.36865636 0.32057445 -0.45050908 1.14231898 1.05968167 -0.45682787 0.5265188 -0.58532051 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68917-18-0 144212987 M M Cornmint oil Tox21_302670 -NCGC00022019-03 196726192 tox21-ror-cho-viability-p1 set3 4 0.0375780358 -6.1926310399 3.5 -2.6926310399 2.2481167061 0.3272828361 0.3423150882 1.59922209 -4.09354849 9.63525355 8.44811161 1.46026752 0.05556678 0.42035271 -2.32537029 -8.81797389 -9.7438592 -1.17886731 -0.1577945 -0.58023593 -0.06203267 -0.21565366 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25122-57-0 71386 170465575 A Clobetasone butyrate ClCC(=O)[C@@]3(OC(=O)CCC)[C@@H](C)C[C@H]2[C@@H]4CCC1=CC(=O)C=C[C@]1(C)[C@@]4(F)C(=O)C[C@@]23C Tox21_112691_1 -NCGC00256346-01 196726594 tox21-ror-cho-viability-p1 set3 4 -1.26970695 0.60429612 1.5535337 1.50834473 1.66977801 1.251109 -0.17233872 0.65969819 -24.59865769 0 -3.42001218 -1.8726635 -0.1296666 0.74960906 1.13921362 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-40-1 7807 144213227 A A 4-Bromoaniline Nc1ccc(Br)cc1 Tox21_302910 -NCGC00257145-01 196727023 tox21-ror-cho-viability-p1 set3 4 3.73778907 3.89553689 2.81054294 2.19683 3.27892405 1.94299946 3.17288791 4.05244657 -2.08024281 0.04297287 2.28310983 3.02543517 -2.50459779 4.8583524 0.08393199 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 608-93-5 11855 144213496 A Fc Pentachlorobenzene Clc1cc(Cl)c(Cl)c(Cl)c1Cl Tox21_303179 -NCGC00256583-01 196727033 tox21-ror-cho-viability-p1 set3 4 0.0061130565 -6.5547149119 4.5 -2.0547149119 4.9549173134 0.397939639 0.2757958068 6.02214389 2.82322857 1.96572787 -10.04559576 -0.65834193 -1.50612659 -1.72401451 -2.22861642 1.50604513 -0.200363 -2.39213058 -6.51689201 -0.74020184 0.47328174 -0.51233222 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-04-7 7418 144213113 A A 3-Methylbenzoic acid Cc1cccc(c1)C(O)=O Tox21_302796 -NCGC00256325-01 196727432 tox21-ror-cho-viability-p1 set3 -2.1 3.0637858693 -76.8686125243 1.226749478 -75.6418630463 0.6999999999 0.909538668 0.0003660689 -3.45812685 0.61285867 -1.34083529 0.41144294 0.80626406 -1.29444428 2.69374314 -14.5636629 -20.12938064 -46.1268711 -23.41605873 -53.67776573 -54.27961786 -70.03876208 -11.11324443 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 97-74-5 7347 144213197 B B Tetramethylthiuram monosulfide CN(C)C(=S)SC(=S)N(C)C Tox21_302880 -NCGC00257419-01 196727453 tox21-ror-cho-viability-p1 set3 4 27.3060203028 -17.1633368199 2 -15.1633368199 4.9549173134 0.8370741233 0.0049482011 3.28341425 3.19168462 -1.53003388 3.43258247 0.89581973 3.45592395 3.64596718 1.36303192 -0.68965258 -1.44847902 2.12686153 3.50808217 1.10053427 -15.96944735 0.96652709 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-42-2 31256 144213788 A Diacetone alcohol CC(=O)CC(C)(C)O Tox21_303479 -NCGC00091650-03 196723313 tox21-ror-cho-viability-p1 set3 4 2.04886634 -1.29086448 -0.17047426 1.5558287 -17.05928192 -13.85005432 0 0 2.47070552 0.11154621 2.38858488 -2.58194075 -6.55199808 -6.84342626 0.34119302 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00254776-01 196699212 tox21-ror-cho-viability-p1 set1 4 -2.57368955 -2.56075745 0.66883247 -3.70457265 -1.92937032 -3.89961778 -0.02848894 -0.78036869 -2.36830002 -0.59796822 2.54752587 2.26170787 -0.44059275 -1.42296276 4.40456402 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2226-96-2 137994 144211189 FC 4-Hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl OC1CC(C)(C)N([O])C(C)(C)C1 Tox21_300872 -NCGC00254039-01 196699213 tox21-ror-cho-viability-p1 set1 -3 61.130564862 -51.7521918134 0.4631093599 -51.2890824535 4.9549173134 0.9599432447 0.0000024732 2.24172881 1.83307343 1.01042352 -0.47050266 0.09941702 0.05730925 0.39870849 -5.82190304 -0.38845504 3.11076308 0.60999353 -1.08921899 5.29820604 -6.2997289 -45.07070036 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-09-8 4764 144210602 A A Phenolphthalein Oc1ccc(cc1)C3(OC(=O)c2ccccc23)c4ccc(O)cc4 Tox21_300282 -NCGC00254623-01 196699607 tox21-ror-cho-viability-p1 set1 4 0.1030201594 -3.8878908399 1 -2.8878908399 4.9549173134 0.325748383 0.3455025034 0.68026803 2.86629217 0.94305378 -0.43959689 0.72330316 1.58436047 -4.98833712 -9.9065757 -5.11219919 0.62164716 -1.07009462 -0.78881959 2.60016971 -3.99494681 -5.28974078 1.367E-9 3.0569999999E-9 6.836E-9 1.529E-8 3.418E-8 7.6429999999E-8 1.709E-7 3.8219999999E-7 8.5459999999E-7 0.000001911 0.000004273 0.000009554 0.00002136 0.00004777 0.0001068 3260-85-3 76748 144211034 A Fns 4-Chloro-2-methylanisole COc1ccc(Cl)cc1C Tox21_300717 -NCGC00090773-04 196723295 tox21-ror-cho-viability-p1 set3 4 -6.41191639 0.37550741 1.68024753 1.96721533 4.10818656 0 -8.90718507 -0.63630407 5.52641145 1.43708841 4.15971821 4.72273825 -1.02043041 -0.30046749 9.63296124 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00015451-05 196723297 tox21-ror-cho-viability-p1 set3 1.4 0.16785492 20.717927744 -11.717927744 9 3.9294729863 0.8112965943 0.0062130244 -5.86775798 -2.2303942 -14.23826484 -12.33419464 -8.25917691 -17.74475433 -20.59827312 0 9.22462254 9.96062555 11.01559984 8.40067156 2.59986472 8.43436289 13.04398628 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 75507-68-5 6435335 170466246 A Flupirtine maleate Nc1nc(ccc1NC(=O)OCC)NCc2ccc(F)cc2.O=C(O)/C=C\C(=O)O Tox21_111232_1 -NCGC00253624-01 196723307 tox21-ror-cho-viability-p1 set3 4 -0.28137195 -0.00474949 0.85632892 0.20139152 -1.9261614 0.97183094 -0.29376982 2.17361145 -7.05058526 -7.27943433 1.14260348 -1.27568565 -4.40308529 -6.61898003 -4.28005176 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 88426-33-9 71768 170466326 A A Buparvaquone CC(C)(C)C3CCC(CC2=C(O)C(=O)c1ccccc1C2=O)CC3 Tox21_113753 -NCGC00168267-02 196723711 tox21-ror-cho-viability-p1 set3 4 0.5595484411 17.8804179439 -11.3804179439 6.5 4.9549173134 0.6734018117 0.0509189433 -11.67105566 -3.29694989 -15.10311088 -9.11990625 -17.38303151 -1.33101631 -19.48368162 -13.66302798 6.40670152 6.41310365 4.7201522 3.70574898 1.13907179 1.06668326 19.31915092 1.328E-9 2.9689999999E-9 6.639E-9 1.4849999999E-8 3.3189999999E-8 7.423E-8 1.66E-7 3.711E-7 8.2989999999E-7 0.000001856 0.000004149 0.000009278 0.00002075 0.00004639 0.0001037 50505-92-5 60196332 144206427 A A R-(-)-2,5-Dimethoxy-4-bromoamphetamine hydrochloride Cl.COc1cc(C[C@@H](C)N)c(cc1Br)OC Tox21_112874 -NCGC00260411-01 196723714 tox21-ror-cho-viability-p1 set3 4 17.0247951387 12.9385862999 -0.9385862999 12 0.8999999999 0.4327864572 0.2416054928 0.24877071 2.43534778 -4.32728651 0.18837591 3.94104019 -4.53215525 -4.35195618 3.08862776 -4.11314187 -4.37855935 6.28204694 2.45887433 1.72561322 5.10926302 9.62912985 5.969E-10 1.335E-9 2.9849999999E-9 6.674E-9 1.4919999999E-8 3.3369999999E-8 7.462E-8 1.6679999999E-7 3.7309999999E-7 8.342E-7 0.000001865 0.000004171 0.0000093269999999 0.00002086 0.00004664 693-67-4 12744 144210063 F Fns 1-Bromoundecane BrCCCCCCCCCCC Tox21_202865 -NCGC00260327-01 196723716 tox21-ror-cho-viability-p1 set3 4 0.0462779336 18.3640918159 -7.3640918159 11 0.2 0.4872237066 0.19093524 -4.21165792 -4.88674318 4.06241852 -4.23267384 2.83019731 3.30603654 3.78175733 1.76897083 3.52713446 2.41165037 1.50526288 4.93607301 2.56315561 3.53274515 12.86513962 2.959E-10 6.617E-10 1.4799999999E-9 3.3089999999E-9 7.3979999999E-9 1.6539999999E-8 3.699E-8 8.272E-8 1.85E-7 4.136E-7 9.2479999999E-7 0.000002068 0.0000046239999999 0.00001034 0.00002312 139-05-9 23665706 144209979 A A Sodium cyclamate [Na+].O=S([O-])(=O)NC1CCCCC1 Tox21_202781 -NCGC00260506-01 196723719 tox21-ror-cho-viability-p1 set3 4 0.6851987566 -6.0934108359 5 -1.0934108359 1.111 0.3258644422 0.3595572939 -0.26527949 8.7659388 6.90838558 -2.99450903 9.53629449 9.52708183 1.32738081 2.86921373 0.76640348 1.10317889 1.60604604 -1.10807948 -2.34026536 -0.92449579 2.14417747 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.4729999999E-7 3.295E-7 7.367E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.000041179999999 0.00009209 17135-78-3 28308 144210158 A Ac 2-Chloroanthracene Clc1ccc2cc3ccccc3cc2c1 Tox21_202960 -NCGC00259622-01 196723720 tox21-ror-cho-viability-p1 set3 -2.4 61.9396194111 -36.487821024 3 -33.487821024 3.6772481694 0.7525927477 0.018708626 9.13002169 2.34434865 5.184969 -7.8864377 -3.21065581 0.88612877 5.84708081 6.36714039 -1.2026192 4.62470727 6.79165987 6.3776253 1.20362875 -3.87354304 -26.65651752 1.193E-9 2.667E-9 5.9649999999E-9 1.3339999999E-8 2.982E-8 6.669E-8 1.491E-7 3.3339999999E-7 7.456E-7 0.0000016669999999 0.000003728 0.000008336 0.00001864 0.00004168 0.0000932 90-30-2 7013 144209271 A A N-Phenyl-1-naphthylamine c1ccc3ccccc3c1Nc2ccccc2 Tox21_202073 -NCGC00259921-01 196706005 tox21-ror-cho-viability-p1 set1 4 61.130564862 -13.86194988 3 -10.86194988 2.9522712143 0.4561935114 0.2198395551 5.07776241 7.37737989 1.44894544 6.12383096 2.59508481 -4.05021938 3.1926957 4.37787639 1.87401942 6.9979051 -0.01078175 3.03686587 -1.2253542 0.84640247 -7.8016249 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 838-88-0 13283 144209570 A A 4,4'-Methylenebis(2-methylaniline) Cc2cc(Cc1ccc(N)c(C)c1)ccc2N Tox21_202372 -NCGC00259430-01 196708484 tox21-ror-cho-viability-p1 set2 4 -1.9280116 -3.30096624 -4.04527744 -5.44950084 -0.15824397 -0.25905223 -3.92476139 -0.05451948 -3.69112943 -3.01361541 0.01777955 -2.25728949 -1.07261179 -1.27137468 1.29889735 1.188E-9 2.6549999999E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 124-18-5 15600 144209079 FNS Decane CCCCCCCCCC Tox21_201881 -NCGC00259338-01 196708492 tox21-ror-cho-viability-p1 set2 4 2.77487346 -0.63426534 2.7829225 1.37835191 2.50236922 -1.47907723 1.12184831 0.59939475 -0.74910492 0.3899189 1.19417478 0.00078428 -1.74849266 -6.04041355 -0.00317204 1.188E-9 2.656E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.639E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.000003712 0.000008299 0.00001856 0.0000415 0.00009279 91-44-1 7050 144208987 A A 7-Diethylamino-4-methylcoumarin CCN(CC)c1ccc2c(c1)OC(=O)C=C2C Tox21_201789 -NCGC00259561-01 196706016 tox21-ror-cho-viability-p1 set1 4 0.3374794664 -4.837791612 1 -3.837791612 3.1319983358 0.3640062213 0.323951791 0.60699916 0.75335355 2.2370357 1.26316713 0.61288746 1.10714745 0.7171463 1.47782319 -12.78149301 1.10023222 -7.2962215 -3.83172714 -3.83550553 0.5153791 1.48890188 1.162E-9 2.598E-9 5.808E-9 1.299E-8 2.9039999999E-8 6.494E-8 1.4519999999E-7 3.247E-7 7.2599999999E-7 0.000001623 0.0000036299999999 0.000008117 0.000018149999999 0.00004059 0.00009076 109-60-4 7997 144209210 FNS Propyl acetate CC(=O)OCCC Tox21_202012 -NCGC00258888-01 196706004 tox21-ror-cho-viability-p1 set1 4 0.2157970185 9.644433644 -11.644433644 -2 0.7 0.3574466479 0.3134036215 -10.24248509 -8.04795704 -11.41595975 -13.87036137 -6.77109318 -9.71789936 -10.46358525 -7.1468602 2.90982582 -2.8103728 -12.61360913 1.33618028 -4.7789718 0.05079247 -6.12745266 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.938E-8 6.568E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.000041049999999 0.0000918 91-53-2 3293 144208534 A A Ethoxyquin CCOc1ccc2NC(C)(C)C=C(C)c2c1 Tox21_201336 -NCGC00090789-02 196706014 tox21-ror-cho-viability-p1 set1 4 1.58103398 4.85968769 0.88397071 -0.11803078 2.92700149 0.03356491 -0.48682267 -0.53192403 -13.46374032 3.72688896 0.3808905 0.04049502 4.88823785 7.50557027 6.28004657 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00163919-02 196706017 tox21-ror-cho-viability-p1 set1 4 3.39654095 9.62171132 5.18353605 3.32438223 7.42272352 -0.61080246 0.61511944 -0.02870501 0.77727695 11.60126946 2.74831009 3.81494455 3.91344423 -1.96063044 -1.95860644 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00259313-01 196706440 tox21-ror-cho-viability-p1 set1 4 4.7415045 2.35846529 0.60105494 8.70259797 0.29822219 1.05855254 0.7721003 2.08573963 2.68838331 0 -7.27084793 2.14487451 1.99249973 7.1695408 -0.12233096 1.156E-9 2.585E-9 5.781E-9 1.293E-8 2.891E-8 6.464E-8 1.4449999999E-7 3.232E-7 7.227E-7 0.000001616 0.000003613 0.0000080799999999 0.000018069999999 0.0000404 0.00009033 529-20-4 10722 144208962 A Ac 2-Tolualdehyde Cc1ccccc1C=O Tox21_201764 -NCGC00259597-01 196706841 tox21-ror-cho-viability-p1 set1 4 3.82701 3.50921228 -0.50536623 0.44669534 5.96800897 4.35628896 -0.24678958 -1.48059797 0.38981238 12.19901107 4.72202296 0.99805477 0.89645617 -0.07458412 8.81945231 1.19E-9 2.661E-9 5.95E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003719 0.000008315 0.00001859 0.00004157 0.000092959999999 109-55-7 7993 144209246 AC F 3-(Dimethylamino)propylamine NCCCN(C)C Tox21_202048 -NCGC00259484-01 196706858 tox21-ror-cho-viability-p1 set1 4 -23.46744978 2.19221437 -11.74897465 -9.71443861 -9.4103228 2.15714793 -2.45983988 -7.83953419 1.70399865 0 -2.68940897 -3.49808577 -5.04522046 4.54856181 2.35685908 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.397E-7 0.0000016539999999 0.0000036979999999 0.0000082699999999 0.000018489999999 0.00004135 0.000092459999999 5809-23-4 79878 144209133 A A 2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid O=C(c1ccc(cc1O)N(CC)CC)c2ccccc2C(=O)O Tox21_201935 -NCGC00257254-01 196707253 tox21-ror-cho-viability-p1 set1 4 -6.27239173 3.61183187 2.65542839 -6.93174778 -5.30466556 -7.46863392 -4.88940649 -4.74364371 -5.28312501 -4.39568497 -2.25424713 -1.63673984 -5.69227613 -0.08709033 -4.49018422 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2550-26-7 17355 144213658 A A Benzylacetone CC(=O)CCc1ccccc1 Tox21_303341 -NCGC00256785-01 196707267 tox21-ror-cho-viability-p1 set1 4 4.34662213 2.49818552 4.79627543 1.84556611 2.61275327 1.99840022 -0.12216482 9.90750588 1.95590873 3.68256336 4.15898232 9.05286432 4.71814912 -0.24881591 -0.01576682 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-06-1 8159 144212932 F Fc Heptyl acetate CCCCCCCOC(C)=O Tox21_302615 -NCGC00256878-01 196707269 tox21-ror-cho-viability-p1 set1 4 3.76569167 1.57764174 2.19060125 4.58152486 0.66514515 4.03347471 2.54858013 2.41125413 1.43371566 1.18004561 0.41482635 6.88144571 8.06947846 1.59697422 1.51423962 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 144-39-8 61098 144212907 A Ac 3,7-Dimethylocta-1,6-dien-3-yl propanoate O=C(CC)OC(C)(CC\C=C(\C)C)C=C Tox21_302590 -NCGC00256894-01 196727361 tox21-ror-cho-viability-p1 set3 4 0.0030637859 -10.1700303319 10 -0.1700303319 1.372261 0.547683503 0.1391392224 7.87293929 5.85227378 2.39825964 1.50749375 -0.29680934 0.514108 -0.65644821 5.18457591 1.27827551 -2.85639371 1.02331947 -1.41676652 -0.4248768 1.2383367 -5.55835861 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 37609-25-9 162268 144212849 A A 5-Cyclohexadecen-1-one O=C1CCCCCCCCCCC=CCCC1 Tox21_302532 -NCGC00257434-01 196726937 tox21-ror-cho-viability-p1 set3 4 -2.33875145 0.16717999 -0.4635049 -0.79383096 0.8795036 0.44470498 1.57433879 -1.60615849 3.26599245 4.72985907 0.62256408 3.93627861 4.00477839 3.69476348 -1.2953636 7.904E-10 1.7669999999E-9 3.952E-9 8.8369999999E-9 1.976E-8 4.419E-8 9.88E-8 2.209E-7 4.94E-7 0.000001105 0.00000247 0.0000055229999999 0.000012349999999 0.00002762 0.00006175 67-30-1 65552 144213801 A Tetrac O=C(O)Cc2cc(I)c(Oc1cc(I)c(O)c(I)c1)c(I)c2 Tox21_303492 -NCGC00256343-01 196726943 tox21-ror-cho-viability-p1 set3 4 -1.7826145 -0.49769917 0.36887374 0.00435408 -4.12269857 1.02460843 -3.6347465 -4.19185986 -8.0260695 -2.43100809 -13.95889784 0.13423307 -4.419895 0.18559813 -3.6605744 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-89-2 6046 144213184 A A N-Nitrosomorpholine O=NN1CCOCC1 Tox21_302867 -NCGC00256521-01 196726955 tox21-ror-cho-viability-p1 set3 4 54.4826732819 -11.544827944 0.5 -11.044827944 3.9899729863 0.8437789189 0.0027953746 1.14175286 1.27310407 0.1345651 -0.27003612 1.78029503 1.2646168 -1.10372807 -0.1096823 -0.94232653 1.40718346 -0.67125247 1.85187362 3.09540569 -2.41828605 -10.03735662 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58-90-2 6028 144213249 B B 2,3,4,6-Tetrachlorophenol Clc1cc(Cl)c(Cl)c(Cl)c1O Tox21_302932 -NCGC00094521-05 196727373 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -18.899615412 -2 -20.899615412 2.2526478767 0.7941330908 0.0091114597 -2.18834534 -3.21344365 -3.91425927 -4.47832554 -3.81969426 -2.46395077 -3.20826903 -0.39077525 0.36780867 -2.6745541 -0.01105038 0.61347604 -5.22603315 -5.53026326 -15.74967951 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009215 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00257196-01 196727771 tox21-ror-cho-viability-p1 set3 4 38.5707788719 6.8512560639 -2.8512560639 4 4.5044702849 0.5041295784 0.1784232365 -1.67095438 -1.38606231 -2.32253707 -1.40494783 -2.83522502 -0.3922744 -2.50536691 -4.23033368 -7.37604672 -3.3027306 -0.0703963 -5.68325819 -2.37401981 1.11959027 3.80271074 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-18-5 8168 144213390 Ac Fc N,N-Dimethyldodecan-1-amine CN(C)CCCCCCCCCCCC Tox21_303073 -NCGC00256658-01 196727768 tox21-ror-cho-viability-p1 set3 4 -9.39723438 -1.6483193 -8.70709538 4.70897734 -15.84425936 -12.52657764 0 0 0 -10.79885241 -13.55985645 0.08940323 -11.94170446 4.06996246 -11.72012994 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2094-98-6 74978 144213924 A A 1,1'-Diazene-1,2-diyldicyclohexanecarbonitrile N#CC2(/N=N/C1(CCCCC1)C#N)CCCCC2 Tox21_303619 -NCGC00090874-04 196728203 tox21-ror-cho-viability-p1 set3 4 -3.4770486 0.23962375 0.90015984 0.84796108 2.52030287 -1.3607069 -2.40154633 -3.20921054 5.29524571 -2.39956819 4.69569745 0.85046023 -3.52274037 2.1291396 -1.49452568 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00090827-04 196728208 tox21-ror-cho-viability-p1 set3 4 0 1.2057539 3.21679468 7.71403737 -0.26011807 1.47195222 2.61016763 -0.77767533 3.18853694 4.13219701 3.08662701 1.13455719 1.52566229 0.29123204 8.96483479 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00255558-01 196728604 tox21-ror-cho-viability-p1 set3 4 0.61139641 -2.85719229 6.21203969 6.15443327 3.55691346 1.24733613 1.61519294 3.43263731 5.91028521 6.03540039 0.45287581 1.00338007 2.12939932 0.51730469 0.15629918 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4196-89-8 20169 144211834 A A Neopentyl glycol dibenzoate CC(C)(COC(=O)c1ccccc1)COC(=O)c2ccccc2 Tox21_301517 -NCGC00256215-01 196729035 tox21-ror-cho-viability-p1 set3 4 0.086349218 4.770283448 -3.270283448 1.5 4.9549173134 0.3695630247 0.3029697466 2.17581244 -1.21224405 -2.47696154 -8.55856954 -5.7158958 -3.35427173 3.34701928 -2.41910109 1.77194092 1.5849081 5.01217468 2.59396629 -3.03174182 0.39297115 4.47170986 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5943-30-6 94314 144212264 A F Dibutan-2-yl disulfide CC(CC)SSC(C)CC Tox21_301947 -NCGC00257579-01 196729447 tox21-ror-cho-viability-p1 set3 4 0.97828972 -2.59481187 -0.15781493 -3.15512716 0.71976374 -8.03357221 -9.96865239 -14.23377677 -22.69652314 -19.70270978 0 0 -6.39368739 -2.2864214 -1.09443242 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.0000036909999999 0.000008252 0.000018449999999 0.000041259999999 0.00009226 938-73-8 3282 144207223 A A 2-Ethoxybenzamide CCOc1ccccc1C(N)=O Tox21_200025 -NCGC00255877-01 196728288 tox21-ror-cho-viability-p1 set3 4 -1.87534681 2.7323832 8.85839358 13.56366677 5.39016667 4.81908161 0.68403602 -1.84179459 -0.79520239 7.74900046 1.48332084 -1.99271228 -1.20532835 1.50868071 4.28898011 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2031-67-6 16241 144211627 Fns Triethoxymethylsilane CCO[Si](C)(OCC)OCC Tox21_301310 -NCGC00253968-01 196699610 tox21-ror-cho-viability-p1 set1 4 1.29233533 1.69340761 -1.88789678 0.61106613 0.91338952 -2.07395896 -0.9899622 0.51167356 3.92724982 -6.84727973 0.43902328 0.12670565 -2.61185882 0.35469615 4.75437058 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-54-4 7762 144210385 FNS Ethyl butyrate CCCC(=O)OCC Tox21_300065 -NCGC00254197-01 196700032 tox21-ror-cho-viability-p1 set1 4 1.61395466 -4.40831077 1.52876062 0.51035981 -1.28686082 2.29112784 -0.42873476 -3.40016045 1.0783052 -0.27913926 -1.63543097 1.12264593 1.44801902 0.50424223 0.94852982 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131-17-9 8560 144210455 A A Diallyl phthalate O=C(OCC=C)c1ccccc1C(=O)OCC=C Tox21_300135 -NCGC00255095-01 196699615 tox21-ror-cho-viability-p1 set1 4 0.9506198 0.03939419 -3.57237741 -0.95748807 1.7554063 -0.94160516 1.93607319 0.97802878 -0.81877029 -2.34509174 -3.78737612 0.7361604 -2.04192166 -1.19293545 2.49435066 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18479-51-1 86749 144211515 A A 3,7-Dimethyloct-6-en-3-ol CCC(C)(O)CC\C=C(\C)C Tox21_301198 -NCGC00091163-03 196699630 tox21-ror-cho-viability-p1 set1 4 0.73957539 4.86651742 0.25439747 3.0886777 -1.70437027 -0.77003415 3.49645876 -2.79232566 4.73719295 -1.65038557 3.7972491 4.93164057 6.94869312 4.42720103 0.49473652 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00254378-01 196700036 tox21-ror-cho-viability-p1 set1 4 -1.40363474 -0.46196052 2.61117356 -1.28441152 -0.23577046 1.56477103 2.70331067 0.91095809 0.4867736 2.10331837 1.82499036 -0.79254285 0.53378973 0.87154733 -0.43221822 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 445295-04-5 9955578 144210764 A A CP-671305 O=C(O)[C@@H](C)Oc4ccc(CNC(=O)c3cccnc3Oc1ccc2OCOc2c1)c(F)c4 Tox21_300446 -NCGC00254277-01 196700039 tox21-ror-cho-viability-p1 set1 4 2.52174914 -0.49388718 1.05579645 0.74054999 1.04555251 1.47542437 4.55954794 1.17977195 -0.75022567 0.35394435 0.87403557 1.28341269 2.46705924 4.57727673 1.44531769 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69-65-8 6251 144210801 A A D-Mannitol O[C@H]([C@H](O)CO)[C@H](O)[C@H](O)CO Tox21_300483 -NCGC00255734-01 196700449 tox21-ror-cho-viability-p1 set1 4 -0.95779735 -0.04919095 -0.93062792 1.36513203 0.08511565 2.30889953 1.13791704 1.44030566 0.54125982 1.02382913 6.13141683 0.41814363 -1.0310516 0.95603445 2.06219718 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1918-11-2 15967 144212527 A A Terbucarb O=C(Oc1c(cc(C)cc1C(C)(C)C)C(C)(C)C)NC Tox21_302210 -NCGC00255742-01 196700864 tox21-ror-cho-viability-p1 set1 4 -1.68954147 -8.13556111 -9.2915278 -1.4001136 1.11718136 -9.70115819 -1.48422668 0.85354246 -7.24992507 -4.96334958 -5.57447206 -6.43365145 -0.58725083 -1.45679053 -6.53435385 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6606-59-3 81080 144212410 A A 1,6-Hexanediol dimethacrylate C=C(C)C(=O)OCCCCCCOC(=O)C(=C)C Tox21_302093 -NCGC00256076-01 196700866 tox21-ror-cho-viability-p1 set1 4 6.8589621897 -23.1703711239 -4.624668192 -27.7950393159 0.3 0.5685327857 0.1206586701 -11.28466802 -4.21258024 -4.29980207 -2.60389016 -9.06100739 -14.09527486 -17.47502307 -12.09498548 -6.09427097 -5.76946496 -17.55629097 -17.0039018 -17.26118279 -21.80690687 -22.32919943 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 475-20-7 1796220 144212624 A F Longifolene C[C@@]32CCCC(C)(C)[C@H]1[C@H](CC[C@H]12)C3=C Tox21_302307 -NCGC00255935-01 196700872 tox21-ror-cho-viability-p1 set1 -2.1 54.4826732819 -72.396132678 -1.041669554 -73.437802232 3.1319983358 0.9607401979 0.0000022081 -6.44770219 0.22227226 3.34260294 -3.57230759 1.25442157 -1.43409207 -2.78885556 0.68525139 1.20442029 1.87313911 -8.50402945 2.43079241 -4.00703294 -21.90327985 -62.0740926 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 28768-32-3 91593 144211703 B D 4,4'-Methylenebis(N,N-diglycidylaniline) C1OC1CN(CC2CO2)c6ccc(Cc3ccc(cc3)N(CC4CO4)CC5CO5)cc6 Tox21_301386 -NCGC00256273-01 196701288 tox21-ror-cho-viability-p1 set1 4 -4.36090013 -0.74096804 -7.75770539 1.5829628 0.63843493 -4.80931426 -6.86930925 0.05563977 1.57164869 0.96989466 0.88083538 -0.47361181 0.79081941 1.16578048 0.58773579 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 928-95-0 5318042 144212156 A (E)-2-Hexen-1-ol CCC\C=C\CO Tox21_301839 -NCGC00255508-01 196701289 tox21-ror-cho-viability-p1 set1 -2.1 68.1713220381 -110.2967696724 -1.24997232 -111.5467419924 3.6772481694 0.9907015583 5E-10 -1.92089596 -0.24197629 0.93812171 -2.68160738 1.00456189 -3.30506041 -0.51914531 2.99461563 -4.21318589 -0.67046871 -4.09012866 0.7523634 -3.87902511 -15.75648647 -84.50510757 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 25155-18-4 14842 144211763 A A Methylbenzethonium chloride [Cl-].CC(C)(C)CC(C)(C)c2ccc(OCCOCC[N+](C)(C)Cc1ccccc1)cc2C Tox21_301446 -NCGC00255922-01 196701291 tox21-ror-cho-viability-p1 set1 4 0.23584236 0.23141749 -0.11405877 2.50681644 1.04904644 0.48796025 2.43273474 2.22135637 5.87525285 8.3390085 3.7110013 1.8345879 6.47218197 7.93723243 0.47165942 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1132-61-2 70807 144212463 Ac 4-Morpholinepropanesulfonic acid O=S(=O)(O)CCCN1CCOCC1 Tox21_302146 -NCGC00259186-01 196709306 tox21-ror-cho-viability-p1 set2 4 1.00759457 2.31823913 -0.23163188 0.12485296 2.28273334 1.94794132 5.56682518 5.10867574 0.49339549 -6.07233036 0.27059381 2.24616993 0.58243348 2.49797241 2.91166643 1.149E-9 2.568E-9 5.743E-9 1.284E-8 2.8709999999E-8 6.421E-8 1.436E-7 3.21E-7 7.1789999999E-7 0.0000016049999999 0.000003589 0.0000080259999999 0.00001795 0.00004013 0.00008973 16219-75-3 27756 144208835 5-Ethylidene-2-norbornene CC=C2CC1C=CC2C1 Tox21_201637 -NCGC00258886-01 196708495 tox21-ror-cho-viability-p1 set2 4 -0.63797505 -0.3972575 -1.40802205 -0.02514645 -1.57931794 2.40820508 -2.34364187 0.14778847 -3.24820748 -0.02009953 0.25644778 1.13810553 1.97550018 -0.04370307 4.58455958 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 79-44-7 6598 144208532 D Dimethylcarbamoyl chloride CN(C)C(Cl)=O Tox21_201334 -NCGC00258978-01 196708891 tox21-ror-cho-viability-p1 set2 4 -1.05407427 -0.47431046 4.22403659 0.85861353 0.43853397 1.58348727 3.06520405 -0.7757656 -0.72601363 3.37917082 1.60107862 2.6866772 2.82807258 4.29435173 3.54603934 1.154E-9 2.579E-9 5.7679999999E-9 1.29E-8 2.884E-8 6.4479999999E-8 1.4419999999E-7 3.224E-7 7.21E-7 0.000001612 0.000003605 0.000008061 0.00001802 0.0000403 0.00009012 106-93-4 7839 144208625 AC F 1,2-Dibromoethane BrCCBr Tox21_201427 -NCGC00259055-01 196708905 tox21-ror-cho-viability-p1 set2 4 20.4769266022 11.023526244 -0.023526244 11 0.5 0.5657094272 0.1245223329 -2.93627187 1.72726057 3.63204598 0.7522813 0.19062317 -2.93403275 -1.1501867 5.20518303 0.41110313 3.17193275 5.30886311 3.0703894 3.58043878 7.46585448 7.75033785 1.2379999999E-9 2.768E-9 6.189E-9 1.3839999999E-8 3.0949999999E-8 6.92E-8 1.547E-7 3.4599999999E-7 7.7359999999E-7 0.00000173 0.000003868 0.00000865 0.000019339999999 0.00004325 0.000096709999999 288-32-4 795 144208702 A A Imidazole c1cncn1 Tox21_201504 -NCGC00259456-01 196709326 tox21-ror-cho-viability-p1 set2 -2.4 66.2942866028 -37.531670852 -2 -39.531670852 3.1319983358 0.9075845071 0.0002173956 -0.343455 0.67887128 -8.09152421 -4.7880265 -2.22229704 -0.98784733 -0.49446021 -1.68846115 -0.27824426 -0.69496995 -0.27602538 -2.00470621 -5.43083612 -8.50664882 -29.60972571 1.1469999999E-9 2.564E-9 5.734E-9 1.282E-8 2.867E-8 6.411E-8 1.434E-7 3.205E-7 7.168E-7 0.000001603 0.000003584 0.0000080139999999 0.00001792 0.00004007 0.00008959 120-71-8 8445 144209105 A A 2-Methoxy-5-methylaniline Nc1cc(C)ccc1OC Tox21_201907 -NCGC00259025-01 196709730 tox21-ror-cho-viability-p1 set2 4 0.7903661 -0.20076306 -0.31684427 1.0075774 -0.61525201 0.47203804 1.65537116 -2.82980774 -2.37427472 -0.11825017 -0.17278056 0.77913043 -0.3152034 0.91272942 0.22812727 1.165E-9 2.6039999999E-9 5.8229999999E-9 1.302E-8 2.911E-8 6.51E-8 1.456E-7 3.255E-7 7.2779999999E-7 0.0000016269999999 0.000003639 0.000008137 0.0000182 0.00004069 0.00009098 626-17-5 12276 144208672 A A 1,3-Benzenedicarbonitrile N#Cc1cccc(C#N)c1 Tox21_201474 -NCGC00259790-01 196709732 tox21-ror-cho-viability-p1 set2 -1.1 0.270562918 -87.4601455184 0.2667113629 -87.1934341555 4.0449729863 0.9947959363 0 2.96769789 -1.97254484 -1.04231 -1.72559324 2.76387142 -0.3170019 -6.59099422 -60.70250416 -83.93540726 -82.93073711 -82.90714519 -84.85577621 -88.16845458 -94.36518848 -91.01132427 1.171E-9 2.6189999999E-9 5.856E-9 1.3089999999E-8 2.9279999999E-8 6.547E-8 1.464E-7 3.274E-7 7.3199999999E-7 0.000001637 0.00000366 0.0000081839999999 0.0000183 0.00004092 0.0000915 62-38-4 16682730 144209439 Phenylmercuric acetate CC(=O)O[Hg]c1ccccc1 Tox21_202241 -NCGC00259928-01 196709743 tox21-ror-cho-viability-p1 set2 4 -0.0618473 -2.03085295 0.40485078 -2.78566761 0.11652291 -1.19753766 2.72236927 -0.45968723 0.38323566 -0.05431257 0.23142219 -1.13652712 -0.05741363 1.01897378 3.04504382 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 91-62-3 7059 144209577 A Ac 6-Methylquinoline Cc1ccc2ncccc2c1 Tox21_202379 -NCGC00256156-01 196710138 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -86.6759477536 2.382440129 -84.2935076246 4.9549173134 0.9802591761 4.4E-8 -0.95632517 3.46746121 1.33536177 3.2659385 1.66246951 3.17572208 2.16870227 2.90623362 -0.14797417 1.52667883 1.72080452 -1.25376622 3.02889167 3.35819382 -68.88373621 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3179-80-4 51392 144211658 A A N-[3-(Dimethylamino)propyl]dodecanamide CN(C)CCCNC(=O)CCCCCCCCCCC Tox21_301341 -NCGC00256239-01 196710556 tox21-ror-cho-viability-p1 set2 4 43.8057889539 13.5371449039 -1.0371449039 12.5 2.3331733767 0.8698319603 0.0011920785 0.72155679 -3.34982992 -1.01462535 -0.88853744 0.46192633 -3.36428742 -1.61739715 0.4421568 -2.27799722 -0.4483452 0.4237997 -0.47336795 -0.0153083 5.53842894 10.63847332 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 26842-43-3 92251 144212130 F Fns 2-Amino-2,4-dimethylpentanenitrile CC(C)CC(C)(N)C#N Tox21_301813 -NCGC00255452-01 196710565 tox21-ror-cho-viability-p1 set2 -1.1 5.4482673282 -80.7003941429 -3.517427638 -84.2178217809 1.8851180601 0.9780830778 8.05E-8 1.62485001 -5.27126198 -3.20621397 -1.69900713 -4.384802 -4.10977437 -2.87085687 -5.65454959 -1.37417904 -21.53043749 -20.12571146 -66.88973417 -75.90879038 -83.54942637 -79.80856132 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3737-41-5 77328 144212517 F Bc 3,3,4,4-Tetrachlorotetrahydrothiophene 1,1-dioxide ClC1(Cl)CS(=O)(=O)CC1(Cl)Cl Tox21_302200 -NCGC00259741-01 196708936 tox21-ror-cho-viability-p1 set2 4 0.39765677 -5.909259 -6.16262272 -54.39498958 0.33795213 -1.12379768 -7.27051679 -0.41497011 -1.98874318 -1.34914545 0.07629352 -2.73351204 1.96453953 1.47150348 1.30890854 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.000092909999999 19248-13-6 87984 144209390 A A N-Ethyl-N-(3-methylphenyl)ethane-1,2-diamine CCN(CCN)c1cc(C)ccc1 Tox21_202192 -NCGC00258979-01 196708511 tox21-ror-cho-viability-p1 set2 4 42.5300269291 -19.144958808 2.5 -16.644958808 2.7202212143 0.9405011044 0.0000218984 3.51133502 1.92361132 3.74956634 4.81735436 1.17749705 3.16200782 4.08496001 1.57825582 2.85528776 1.94195645 0.15768264 3.6109543 0.80543257 -6.59836101 -14.70413234 1.163E-9 2.601E-9 5.816E-9 1.301E-8 2.908E-8 6.503E-8 1.454E-7 3.2509999999E-7 7.27E-7 0.0000016259999999 0.0000036349999999 0.0000081279999999 0.00001818 0.00004064 0.00009088 446-72-0 5280961 144208626 A A Genistein Oc1ccc(cc1)C3=COc2cc(O)cc(O)c2C3=O Tox21_201428 -NCGC00163919-02 196725203 tox21-ror-cho-viability-p1 set3 4 0.0049695693 -14.2753426199 10 -4.2753426199 0.3 0.6303269076 0.0775527546 5.83693061 0 7.16595524 -0.77903564 0.50541331 -0.32340554 0.57994871 -2.61008977 -1.00623525 -1.67021614 -2.39913671 -0.28152969 -4.09746559 -3.19174094 -4.39611885 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00016438-04 196725193 tox21-ror-cho-viability-p1 set3 4 37.5780357627 -8.87088206 0.5 -8.37088206 4.9549173134 0.5653897126 0.1263655658 0.6181977 1.29856273 -2.08341647 -1.52459291 -1.27241584 -0.19631694 -0.32056675 -1.06379682 3.76443317 2.03576265 1.8301397 1.60044261 1.69015344 1.913706 -6.97573505 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 366-70-1 9703 170465402 A Procarbazine hydrochloride Cl.CC(C)NC(=O)c1ccc(CNNC)cc1 Tox21_110439_1 -NCGC00090987-03 196725194 tox21-ror-cho-viability-p1 set3 4 0 0 -2.13208853 1.64958636 -10.10704714 3.27805578 3.92707903 -9.68437493 -0.75728293 4.76679918 0.70833313 5.8854445 1.62558133 -0.53280843 -2.2659605 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00095227-06 196725195 tox21-ror-cho-viability-p1 set3 4 0.0595571731 -7.7277060319 3 -4.7277060319 3.5117481694 0.3814441188 0.2898557496 -0.31263728 -4.26883461 7.56010677 9.18726527 -1.49924154 6.49572317 -4.05556198 -1.19784412 -9.7149022 -13.52308836 -0.83935534 -1.66004101 -0.65120698 -5.66861793 -4.77679525 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72-48-0 6293 170465641 A Alizarin O=C3c1ccccc1C(=O)c2c3ccc(O)c2O Tox21_111486_1 -NCGC00181780-01 196725206 tox21-ror-cho-viability-p1 set3 4 -1.13637702 -10.17227013 -1.14025854 -1.79310215 -0.05755415 -2.98987641 -0.60155302 -1.06501324 -3.24934787 -2.91512282 -2.80385561 -1.45851674 -2.85680273 -1.3759304 -3.73805965 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1224-92-6 92877 144206942 A A 5alpha-Androstan-3beta-ol C[C@@]34CC[C@H]1[C@@H](CC[C@H]2C[C@@H](O)CC[C@]12C)[C@@H]4CCC3 Tox21_113391 -NCGC00024715-05 196725605 tox21-ror-cho-viability-p1 set3 4 -5.21618074 -5.32157419 8.63819084 0.34997319 1.17159729 0.63534998 -0.5728286 -3.73019304 -8.19372332 -9.47301553 -0.38014572 1.17095594 -1.34245087 -1.25350458 -0.17050631 5.899E-11 1.319E-10 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 74-79-3 6322 170465748 F L-Arginine N[C@@H](CCCNC(=N)N)C(=O)O Tox21_113046_1 -NCGC00257605-01 196729855 tox21-ror-cho-viability-p1 set3 4 4.05679629 0.74748007 -11.66071098 2.40314237 -2.61006926 -0.31740525 -6.30968548 -19.7071881 -20.3619056 0 0 -0.69835737 -6.85306016 -14.02675927 -3.51759508 1.158E-9 2.5899999999E-9 5.7909999999E-9 1.2949999999E-8 2.8949999999E-8 6.474E-8 1.448E-7 3.2369999999E-7 7.239E-7 0.0000016189999999 0.000003619 0.000008093 0.0000181 0.00004047 0.00009048 101-39-3 7557 144207249 A A alpha-Methyl cinnamaldehyde CC(=Cc1ccccc1)C=O Tox21_200051 -NCGC00258005-01 196729458 tox21-ror-cho-viability-p1 set3 4 0.0015433415 13.148648288 -12.648648288 0.5 4.9549173134 0.7186720864 0.0308830802 -10.54054024 3.47289666 1.21909758 -0.78291087 0.28063598 0.90279552 1.11616427 1.40218545 -0.05272981 2.86577164 0.86028538 0.62701745 0.94508537 -2.98671689 -1.9379675 1.185E-9 2.649E-9 5.923E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 764-41-0 15122 144207649 FNS 1,4-Dichloro-2-butene ClCC=CCCl Tox21_200451 -NCGC00257868-01 196729850 tox21-ror-cho-viability-p1 set3 4 -2.95084376 -0.91510488 -15.94709271 -14.3160957 -0.47556182 -17.83048895 -2.51933148 -4.78451741 0 0 -3.26849774 -10.48145479 -11.38083844 -10.81614917 0.20521717 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.5809999999E-8 1.472E-7 3.291E-7 7.358E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.00004113 0.00009198 39025-24-6 6439929 144207512 A A Guggulsterone E C\C=C4\C(=O)C[C@@H]3[C@]4(C)CC[C@H]2[C@H]3CCC1=CC(=O)CC[C@@]12C Tox21_200314 -NCGC00091088-05 196729851 tox21-ror-cho-viability-p1 set3 4 0.0343762429 -11.0965601559 1 -10.0965601559 2.3331733767 0.3294761561 0.3543945299 1.70005048 2.28234519 -2.60737321 0.29492033 -2.13367714 -10.12744112 -15.63304127 -14.06877254 -17.02912193 -24.66380013 0 0 -2.8232532 -4.66100963 -2.93372428 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00258715-01 196729857 tox21-ror-cho-viability-p1 set3 2.4 69.1480167938 35.2379383281 0.2620616719 35.5 4.5044702849 0.9518687696 0.0000068628 1.6072345 0.94831274 0.45671741 -0.57657626 0.89814348 0.60185387 0.64166532 -5.19828194 1.41010658 1.19111716 -0.30442652 0.33436809 0.71383305 3.67620734 27.92075355 1.188E-9 2.6549999999E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.639E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001856 0.00004149 0.00009278 620-92-8 12111 144208361 A A Bis(4-hydroxyphenyl)methane Oc2ccc(Cc1ccc(O)cc1)cc2 Tox21_201163 -NCGC00257935-01 196729859 tox21-ror-cho-viability-p1 set3 4 0.72194875 1.75920556 2.8894041 5.05462368 1.90186417 0.79236689 -1.6533365 0.06439853 3.23091341 1.02626543 2.23364839 -1.0056398 3.13292604 1.38952866 0.49594996 1.172E-9 2.621E-9 5.862E-9 1.311E-8 2.931E-8 6.554E-8 1.465E-7 3.277E-7 7.327E-7 0.0000016379999999 0.000003664 0.000008192 0.00001832 0.00004096 0.00009159 95-82-9 7262 144207579 A A 2,5-Dichloroaniline Clc1ccc(Cl)c(N)c1 Tox21_200381 -NCGC00260083-01 196702933 tox21-ror-cho-viability-p1 set1 4 1.42553624 4.05129879 -0.13710113 -1.48849787 -0.3158875 -2.93525203 0.62691264 -0.82305012 0.1898824 -1.52446583 -1.28340825 1.90176472 2.12469927 3.48719662 -0.48966247 5.883E-10 1.315E-9 2.941E-9 6.577E-9 1.471E-8 3.289E-8 7.353E-8 1.644E-7 3.677E-7 8.221E-7 0.000001838 0.0000041109999999 0.000009192 0.00002055 0.00004596 7789-38-0 23668195 144209732 Sodium bromate [Na+].[O-]Br(=O)=O Tox21_202534 -NCGC00090704-03 196702918 tox21-ror-cho-viability-p1 set1 4 0.019331182 -5.3329252 0.5 -4.8329252 4.9549173134 0.3549158065 0.3328919224 -0.06017364 -0.39343912 -0.00746212 1.28643896 -6.10367243 0.27001513 -6.55925578 -6.84246957 -6.94704027 -11.110771 -6.03186082 0.09019063 -0.10774925 -6.4166687 -0.05116868 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00260536-01 196702920 tox21-ror-cho-viability-p1 set1 4 4.8458988921 -14.5595812439 -3.5 -18.0595812439 0.7999999999 0.5285635263 0.1699279061 -1.02380348 -6.21051004 -4.27481201 -2.51441197 -7.20610359 -7.82329459 6.27726189 -4.94819692 -10.69085739 -5.86122556 -11.64008361 -9.85440513 -18.38298437 -12.77486088 -8.86295299 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.3169999999E-8 2.944E-8 6.583E-8 1.472E-7 3.2919999999E-7 7.3599999999E-7 0.0000016459999999 0.00000368 0.0000082289999999 0.000018399999999 0.00004115 0.000092 85-68-7 2347 144210189 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_202991 -NCGC00260043-01 196702931 tox21-ror-cho-viability-p1 set1 4 2.08435719 -6.91850774 -0.26021233 2.07425356 -15.62758084 -1.03319741 1.66131649 0.36277849 1.37079199 0.55895582 1.82326752 -8.35539348 -2.28350571 2.37441732 3.27081604 1.172E-9 2.621E-9 5.862E-9 1.311E-8 2.931E-8 6.554E-8 1.465E-7 3.277E-7 7.327E-7 0.0000016379999999 0.000003664 0.000008192 0.00001832 0.00004096 0.00009159 67-66-3 6212 144209692 FNS Chloroform ClC(Cl)Cl Tox21_202494 -NCGC00260069-01 196703349 tox21-ror-cho-viability-p1 set1 4 12.6731186471 -13.74792314 2 -11.74792314 3.1319983358 0.8466145388 0.0025184829 1.22964167 5.82378194 3.69530612 0.8046021 -1.32666736 1.16053228 3.37624471 3.15713356 4.41676005 -0.31325539 3.34953849 0.06494576 -1.0000512 -11.03993595 -10.97862242 6.2239999999E-10 1.392E-9 3.112E-9 6.959E-9 1.556E-8 3.479E-8 7.78E-8 1.7399999999E-7 3.89E-7 8.6989999999E-7 0.000001945 0.000004349 0.000009725 0.00002175 0.00004863 107-35-7 1123 144209718 F l-Taurine NCCS(=O)(=O)O Tox21_202520 -NCGC00357239-01 196703751 tox21-ror-cho-viability-p1 set1 4 -0.88702489 -0.96852546 -3.94347052 1.58318389 -3.09991913 -2.72402922 -1.85262422 -2.70537838 -0.70296213 -3.41802919 -2.37380684 -0.34757954 1.45354686 -4.23660998 -2.6488507 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-09-4 1032 251919690 A Propionic acid CCC(=O)O Tox21_304030 -NCGC00357215-01 196703755 tox21-ror-cho-viability-p1 set1 4 -0.86994837 1.51658209 1.07942154 -0.39303942 0.13724453 0.11770552 -3.63449528 -0.66132113 -0.17391451 0.1821415 3.77693489 1.01189443 2.82585359 -0.35845136 0.2389173 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 626-60-8 12287 251919930 Ac 3-Chloropyridine Clc1cccnc1 Tox21_303995 -NCGC00259341-01 196703761 tox21-ror-cho-viability-p1 set1 -2.4 30.4510110097 -32.623367036 -1 -33.623367036 1.2221 0.8735168034 0.0010170752 1.28733614 2.91330676 -4.63619185 0.84220887 0.31823069 -7.83356856 -0.03263076 -3.60520134 1.49387277 -5.62591197 0.16218586 -8.91001321 -11.32188893 -19.73725988 -28.01947253 1.1739999999E-9 2.626E-9 5.871E-9 1.3129999999E-8 2.9349999999E-8 6.564E-8 1.468E-7 3.282E-7 7.339E-7 0.000001641 0.000003669 0.000008205 0.00001835 0.00004102 0.00009173 57-83-0 5994 144208990 A A Progesterone CC(=O)[C@H]2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_201792 -NCGC00168342-02 196704167 tox21-ror-cho-viability-p1 set1 4 -0.30547423 -0.37848206 0.26819015 -1.73778425 1.48296448 -2.15876024 0.35187234 -2.47953165 0.44777508 -2.21394115 -5.5308478 -3.67694973 -5.34291172 -4.47759535 -7.84796376 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00274085-01 196704172 tox21-ror-cho-viability-p1 set1 4 0.30050758 0.56526073 -1.78537984 0.44504669 0.68331241 -0.60820376 -0.53478705 0.06624642 -0.90496269 0.97899068 0.28721406 0.1254542 1.13498186 2.2051063 1.38633407 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 30964-13-7 122685 170466869 A 1,5-Dicaffeoylquinic acid O[C@H]2[C@H](O)C[C@](C[C@H]2OC(=O)C=Cc1ccc(O)c(O)c1)(OC(=O)C=Cc3ccc(O)c(O)c3)C(=O)O Tox21_111176_1 -NCGC00258613-01 196701703 tox21-ror-cho-viability-p1 set1 4 0.15189655 2.23134564 1.21758374 -0.66678996 4.99351511 5.1229143 -1.29770134 4.19308726 3.71960505 0.30793883 -9.13245917 0.45963846 4.90076305 -1.23360241 3.27654103 1.194E-9 2.67E-9 5.9699999999E-9 1.335E-8 2.985E-8 6.6739999999E-8 1.4919999999E-7 3.337E-7 7.4619999999E-7 0.000001669 0.0000037309999999 0.000008343 0.00001866 0.00004171 0.00009328 624-83-9 12228 144208258 FC Methyl isocyanate C\N=C=O Tox21_201060 -NCGC00258082-01 196701687 tox21-ror-cho-viability-p1 set1 4 0.14417043 -0.54730211 1.2683267 -1.23662632 -1.66202084 -0.7673502 -0.97040452 4.78303607 0.26549233 4.6678271 1.00952818 -0.95764817 0.15880567 8.26880286 4.13748973 1.203E-9 2.6889999999E-9 6.013E-9 1.344E-8 3.006E-8 6.722E-8 1.503E-7 3.361E-7 7.516E-7 0.0000016809999999 0.000003758 0.000008403 0.000018789999999 0.00004202 0.00009395 625-28-5 12244 144207726 AC F Isovaleronitrile CC(C)CC#N Tox21_200528 -NCGC00258518-01 196701688 tox21-ror-cho-viability-p1 set1 4 0.0049447938 -12.535149344 1.620425176 -10.914724168 0.6999999999 0.6840693508 0.0560272668 -1.98297902 -3.54121147 -2.93464911 -8.32727078 -11.17814321 -3.9006102 -11.16584598 -11.26841862 -9.38046488 -13.26227014 -10.81490367 -9.46938074 -12.48212638 -9.97818251 -5.4151065 1.198E-9 2.68E-9 5.992E-9 1.34E-8 2.996E-8 6.6989999999E-8 1.4979999999E-7 3.35E-7 7.4899999999E-7 0.000001675 0.000003745 0.000008374 0.000018719999999 0.00004187 0.00009362 926-57-8 637892 144208163 A I 1,3-Dichloro-2-butene C\C(Cl)=C\CCl Tox21_200965 -NCGC00015578-12 196722964 tox21-ror-cho-viability-p1 set3 4 0.0298492948 -6.6312010959 2.5 -4.1312010959 3.9294729863 0.366177102 0.3210470054 2.94583503 4.6174309 3.4443396 -0.99876387 1.5345483 -0.70976509 -10.35187669 -0.84694865 -0.11099356 -14.69266758 -1.96969063 -4.48860267 0.74387846 -2.42284392 2.26347783 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 22071-15-4 3825 170465449 A Ketoprofen CC(C(=O)O)c1cccc(c1)C(=O)c2ccccc2 Tox21_110594_1 -NCGC00181000-02 196723370 tox21-ror-cho-viability-p1 set3 4 2.95961918 11.47466183 3.87132007 4.32486003 4.91573001 -1.26044378 -2.0495976 5.88626855 1.79484683 5.35279482 5.02445884 1.52614403 5.90913066 7.09902585 18.70759869 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94055-76-2 71773 170465881 B Suplatast tosylate Cc1ccc(cc1)S(=O)([O-])=O.C[S+](C)CCC(=O)Nc1ccc(OCC(O)COCC)cc1 Tox21_112652_1 -NCGC00092299-02 196723372 tox21-ror-cho-viability-p1 set3 4 -0.58109707 -0.26698449 1.7940416 -4.51916616 3.02248822 1.11700132 2.83081044 -1.47875118 3.93174359 4.97533006 10.40475615 3.46676659 -2.32465531 1.5933088 13.60139663 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 76541-72-5 60910 170466373 A Mifobate Clc1ccc(cc1)C(OP(=O)(OC)OC)P(=O)(OC)OC Tox21_111190_1 -NCGC00253601-01 196723385 tox21-ror-cho-viability-p1 set3 -2.4 21.1316824289 -24.461023504 0 -24.461023504 2.3331733767 0.915518984 0.0001379171 0.19575607 -0.11599836 1.34020833 -0.92375172 -0.70941992 2.01043127 -0.45747361 -1.07633882 -3.04633034 4.37670005 -2.79755037 0.67423143 -3.38425118 -12.09855976 -20.80085292 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1322-14-1 72187524 170465553 Fc A Calcium undecylenate [Ca+2].[O-]C(=O)\C=C\CCCCCCCC.[O-]C(=O)\C=C\CCCCCCCC Tox21_113736 -NCGC00357221-01 196723791 tox21-ror-cho-viability-p1 set3 4 7.6958821542 -9.556765268 2 -7.556765268 4.9549173134 0.4725523743 0.2207630901 -4.74749769 2.16362251 -2.92372083 -0.62907232 1.66025706 4.38597282 4.69329279 7.39146503 5.26941355 -1.9051769 7.63812433 -5.14544277 -4.51212883 -10.04730439 -0.66322791 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81-30-1 6678 251919951 I Naphthalene-1,8:4,5-tetracarboxylic dianhydride O=C4OC(=O)c1ccc2C(=O)OC(=O)c3ccc4c1c23 Tox21_304005 -NCGC00260216-01 196723793 tox21-ror-cho-viability-p1 set3 4 -5.48169877 0.68014221 5.71551342 2.03422422 5.18879209 1.36448816 -5.38569466 -0.4683459 -0.80343905 -3.79587785 -3.90496785 -0.29986852 -3.08053434 -0.51104106 -0.59817045 1.1759999999E-9 2.63E-9 5.8799999999E-9 1.315E-8 2.94E-8 6.574E-8 1.4699999999E-7 3.2869999999E-7 7.35E-7 0.0000016439999999 0.0000036749999999 0.000008218 0.000018379999999 0.00004109 0.00009188 37971-78-1 60196384 144209866 A A 1-Butyl-1-methylpiperidinium iodide [I-].C[N+]1(CCCC)CCCCC1 Tox21_202668 -NCGC00357144-01 196723800 tox21-ror-cho-viability-p1 set3 -2.4 68.5896218971 -32.88729514 -0.5 -33.38729514 3.6772481694 0.7162940627 0.0312287049 -0.84984129 2.50706645 -1.02993243 -9.82380466 9.14077857 4.84450442 -1.74109588 -0.47277877 -1.52859096 -2.43921291 -0.31494376 0.40076953 -3.33744486 -4.4692716 -25.32274595 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-02-2 7363 251919978 F 2-Furylmethanethiol SCc1ccco1 Tox21_303886 -NCGC00357092-01 196723805 tox21-ror-cho-viability-p1 set3 4 0.23085373 -2.23178523 0.56400576 -2.28131598 -3.00551041 -0.17273363 -3.72542459 2.42327998 0.25758284 -3.12154028 3.31127666 0.75500213 1.0855092 0.46718609 0.13566129 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 763-29-1 22468 251919941 Fns 2-Methylpent-1-ene C=C(C)CCCC Tox21_303811 -NCGC00164164-02 196713459 tox21-ror-cho-viability-p1 set2 4 0.6113056486 -7.5644297 -1 -8.5644297 0.7999999999 0.630371262 0.0899185291 -4.76437443 0.26025468 1.46774813 1.35802181 -2.13339287 -5.97353987 -0.34003668 -4.65957288 -4.53442285 -6.22207712 -5.71869026 -8.74052117 -10.88702475 -6.23244421 -1.26983496 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00181780-01 196713029 tox21-ror-cho-viability-p1 set2 4 0.39627621 1.09270255 0.16326046 0.80581936 -1.84278351 -0.04280258 0.78651652 -2.90674023 -3.501057 -1.85487315 -3.36363612 -1.98062585 0.95333039 -6.10980115 -2.17798663 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1224-92-6 92877 144206942 A A 5alpha-Androstan-3beta-ol C[C@@]34CC[C@H]1[C@@H](CC[C@H]2C[C@@H](O)CC[C@]12C)[C@@H]4CCC3 Tox21_113391 -NCGC00165787-03 196713453 tox21-ror-cho-viability-p1 set2 4 6.78128083 5.9001526 2.69603988 5.75421465 4.90549452 6.21100611 3.46145401 4.54829909 3.96372543 3.47456051 0.89989897 5.16428079 2.65979816 5.17456706 -0.4364657 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79094-20-5 54343 170466199 A Daltroban O=S(=O)(NCCc1ccc(CC(=O)O)cc1)c2ccc(Cl)cc2 Tox21_112262_1 -NCGC00253735-01 196713455 tox21-ror-cho-viability-p1 set2 4 2.38455009 2.58278952 1.36563051 -0.05796634 2.35023869 1.83941368 0.81568513 0.82768141 -1.15144903 0.69464073 1.08249357 1.13521995 2.25347867 1.88133204 -0.33764161 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 30709-69-4 65773 170466183 A A Tizoprolic acid CCCc1ncc(s1)C(=O)O Tox21_113854 -NCGC00091210-02 196729212 tox21-ror-cho-viability-p1 set3 4 121.9715123619 -14.41610096 -4.21305368 -18.62915464 0.3 0.3744762711 0.2997668321 -3.72616391 -9.20541871 -1.8442114 -6.43551569 -7.80016912 -6.2912856 -5.02185466 -8.43410004 -6.66543608 -3.87812019 -7.53438576 -10.45298091 -5.73555933 -9.26439358 -14.6909622 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00255307-01 196728787 tox21-ror-cho-viability-p1 set3 4 48.5577336745 -8.06551616 1 -7.06551616 3.9294729863 0.3260439821 0.3456280447 -0.24304742 -0.24391296 -1.47990295 -1.27936321 -1.0097099 -0.37162238 7.98336323 -2.28557075 4.02116669 -1.02624171 2.75738689 0.73534306 4.71784988 -2.03087841 -6.3045968 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 480-40-0 5281607 144212652 A A Chrysin Oc2cc(O)cc1OC(=CC(=O)c12)c3ccccc3 Tox21_302335 -NCGC00255685-01 196728796 tox21-ror-cho-viability-p1 set3 4 25.7289560376 23.7663830239 -3.7663830239 20 2.3031167061 0.4785068252 0.2145975176 -0.14556087 -2.35277293 -6.45398217 -3.69838806 -2.59727582 5.33762334 2.01378467 -8.8535324 -2.43035749 -15.63865252 -11.8941497 1.88007842 3.44353358 14.95602482 2.89066101 1.2359999999E-9 2.765E-9 6.1819999999E-9 1.382E-8 3.091E-8 6.911E-8 1.545E-7 3.456E-7 7.727E-7 0.0000017279999999 0.000003864 0.000008639 0.000019319999999 0.0000432 0.00009659 7080-50-4 517414 144212753 C Chloramine-T trihydrate [Na+].O.O.O.Cc1ccc(cc1)S(=O)(=O)[N-]Cl Tox21_302436 -NCGC00255987-01 196728800 tox21-ror-cho-viability-p1 set3 4 -1.72962661 10.60977258 10.61079523 -1.53536402 -2.07656902 4.57951912 0.74037384 3.17892693 -7.90234731 -5.23656892 -7.71054233 1.8814789 -4.81907852 6.61193283 4.35118149 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23089-26-1 442343 144211692 C A Levomenol CC1=CC[C@H](CC1)[C@](O)(C)CC\C=C(/C)C Tox21_301375 -NCGC00257617-01 196729217 tox21-ror-cho-viability-p1 set3 4 17.3516533504 -24.7223588079 -3 -27.7223588079 2.4063783767 0.4551115212 0.2360754566 1.11422588 -0.18149719 -1.43187271 -0.91120641 -2.34114243 -4.8895107 -26.01863234 0 -0.36865646 -0.2235783 0 -1.65690641 -18.81486106 -23.34145957 -7.96092834 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.4829999999E-7 3.317E-7 7.417E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.00004146 0.000092709999999 4454-05-1 91538 144207261 AC 2-Methoxy-3,4-dihydro-2H-pyran COC1CCC=CO1 Tox21_200063 -NCGC00091086-02 196729221 tox21-ror-cho-viability-p1 set3 4 -2.15024483 -2.93941038 -4.52461317 -7.27631036 -5.90511558 -2.57279091 -4.51362892 -4.36147323 -4.62753487 -3.32722749 0.02513732 -4.04635719 -4.51638359 -1.76320646 0.76733133 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00257893-01 196729223 tox21-ror-cho-viability-p1 set3 -2.4 69.008347349 -45.4302626575 -4 -49.4302626575 1.0999999999 0.6329551973 0.074423151 -1.21195106 1.19634682 -11.58816012 -5.19505731 -0.00416155 -5.94758554 -10.78298002 -14.49516176 0 -1.80358455 -1.14377992 -14.49472786 -12.47174905 -10.9807727 -37.44716868 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003707 0.0000082899999999 0.00001854 0.00004145 0.00009269 608-71-9 11852 144207537 A A Pentabromophenol Brc1c(O)c(Br)c(Br)c(Br)c1Br Tox21_200339 -NCGC00258476-01 196729624 tox21-ror-cho-viability-p1 set3 4 -4.55580625 -3.95630227 -2.78920906 -0.69276966 -3.34333898 -0.46682409 1.87981489 1.16414308 -0.35416896 -8.43968452 -24.55400864 -1.87081229 -3.94026824 -1.32460023 -2.35935702 1.203E-9 2.6889999999E-9 6.013E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003758 0.000008404 0.000018789999999 0.00004202 0.000093959999999 315-30-0 2094 144208120 A A Allopurinol Oc2ncnc1nncc12 Tox21_200922 -NCGC00258645-01 196729634 tox21-ror-cho-viability-p1 set3 4 68.729149849 -11.6320710479 0.5 -11.1320710479 4.0949729863 0.6367345436 0.0739588418 -0.26295945 3.14115186 0.57417439 -0.66301792 0.05372049 0.10664645 -1.74844637 -0.04620508 -0.74893142 4.31617274 1.30511741 -0.6702599 -2.25640841 -0.52447106 -8.44339254 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.61E-8 1.4779999999E-7 3.305E-7 7.3899999999E-7 0.0000016529999999 0.0000036949999999 0.000008263 0.00001848 0.00004131 0.000092379999999 128-37-0 31404 144208291 A B Butylated hydroxytoluene CC(C)(C)c1cc(C)cc(c1O)C(C)(C)C Tox21_201093 -NCGC00258007-01 196729635 tox21-ror-cho-viability-p1 set3 4 0.89085098 1.27747455 2.45410686 0.5314076 1.15530707 0.55246261 1.71232154 -0.12939318 2.09239126 2.79812647 0.05632256 -1.06049636 -0.80325763 -0.8898704 -3.66458656 1.156E-9 2.586E-9 5.7819999999E-9 1.293E-8 2.891E-8 6.465E-8 1.446E-7 3.232E-7 7.228E-7 0.000001616 0.0000036139999999 0.000008081 0.000018069999999 0.000040409999999 0.000090349999999 1185-55-3 14456 144207651 D Trimethoxymethylsilane C[Si](OC)(OC)OC Tox21_200453 -NCGC00258081-01 196730031 tox21-ror-cho-viability-p1 set3 4 0.0137968432 14.461287292 -13.961287292 0.5 0.4 0.8647921588 0.0014229733 -9.79543348 -9.96773941 -9.6241176 -4.98327288 -4.00348127 -3.46378183 -4.92374278 -3.17627269 -3.78640035 -1.35861666 -0.09844368 -2.01248154 -1.63005171 2.07411405 0.14124659 1.188E-9 2.656E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.641E-8 1.4849999999E-7 3.32E-7 7.425E-7 0.0000016599999999 0.000003712 0.0000083009999999 0.00001856 0.0000415 0.00009281 99-06-9 7420 144207725 A A 3-Hydroxybenzoic acid OC(=O)c1cc(O)ccc1 Tox21_200527 -NCGC00256198-01 196728032 tox21-ror-cho-viability-p1 set3 4 -0.40555494 -4.1784257 9.85534954 6.22509607 -2.01755869 1.65687606 3.00798468 5.83521908 -6.97204035 -0.2706074 -0.1234078 5.58149011 -0.11397709 0.41440013 -0.51859921 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33007-83-9 118379 144211956 F F 2,2-Bis{[(3-sulfanylpropanoyl)oxy]methyl}butyl 3-sulfanylpropanoate SCCC(=O)OCC(COC(=O)CCS)(COC(=O)CCS)CC Tox21_301639 -NCGC00259875-01 196706203 tox21-ror-cho-viability-p1 set1 4 2.47451201 5.56323942 2.16083209 6.46222569 5.73111344 0.18976192 1.71207324 8.26412175 -17.47981618 5.96430819 2.3664573 1.8016616 2.83879827 -0.22850795 -0.67990158 1.203E-9 2.6889999999E-9 6.013E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003758 0.000008404 0.000018789999999 0.00004202 0.000093959999999 98-54-4 7393 144209524 A F 4-tert-Butylphenol CC(C)(C)c1ccc(O)cc1 Tox21_202326 -NCGC00091759-02 196706208 tox21-ror-cho-viability-p1 set1 4 21.6899429044 -8.8296392479 1 -7.8296392479 3.2974983358 0.5657528584 0.1237558808 -0.59171799 0.59839741 4.48500708 5.663122 0.45775445 0.81323186 0.88896831 -2.39444093 2.58478981 2.55905421 -4.32627761 3.96758433 -3.75989542 -4.80813923 -9.44136604 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00259953-01 196705793 tox21-ror-cho-viability-p1 set1 4 2.2164605 5.52606968 0.56838243 5.2689148 1.47461153 0.57849129 1.74998812 -0.34484971 0.75750185 12.33446098 -1.6290215 -0.13426288 2.78167472 3.26758361 1.17155652 1.1839999999E-9 2.647E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.618E-8 1.4799999999E-7 3.309E-7 7.399E-7 0.000001655 0.0000037 0.0000082729999999 0.0000185 0.00004136 0.000092489999999 112-34-5 8177 144209602 A A 2-(2-Butoxyethoxy)ethanol CCCCOCCOCCO Tox21_202404 -NCGC00258864-01 196706192 tox21-ror-cho-viability-p1 set1 4 0.0197052986 9.8672851279 -11.3672851279 -1.5 4.9549173134 0.5953336071 0.1005283268 -10.94906822 -10.59841822 -9.45637059 -14.05607094 1.24993082 -3.46750093 -5.55832861 -3.1177685 -1.93136906 -8.74143854 4.31271457 -0.85604423 3.47343817 -2.93698324 1.97594278 1.1989999999E-9 2.6819999999E-9 5.997E-9 1.3409999999E-8 2.999E-8 6.705E-8 1.4989999999E-7 3.353E-7 7.497E-7 0.000001676 0.000003748 0.0000083819999999 0.000018739999999 0.00004191 0.00009371 619-17-0 12076 144208510 A A 4-Nitroanthranilic acid OC(=O)c1ccc(cc1N)[N+]([O-])=O Tox21_201312 -NCGC00259813-01 196706603 tox21-ror-cho-viability-p1 set1 -2.4 61.7527572729 -45.4405329777 -4.215546317 -49.6560792947 1.4641 0.635125491 0.0730440818 -15.65745405 -3.43371822 -15.98894107 -6.58057111 -1.66959037 -6.8528524 -11.43317557 0.27140591 4.53722128 -2.0184946 -2.9841214 -9.63481193 -11.90350073 -14.45585416 -37.61824189 1.19E-9 2.661E-9 5.95E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003719 0.000008315 0.00001859 0.00004157 0.000092959999999 58-33-3 6014 144209462 A A Promethazine hydrochloride Cl.CN(C)C(C)CN1c3ccccc3Sc2ccccc12 Tox21_202264 -NCGC00259689-01 196706606 tox21-ror-cho-viability-p1 set1 4 -1.71135246 -3.52128278 -4.71114076 -1.60580826 -0.92586173 1.61318762 -5.60383026 -5.96613067 0.03150732 0 1.04040166 -17.29780502 -2.88866513 1.20835735 -2.03284923 1.195E-9 2.671E-9 5.974E-9 1.336E-8 2.987E-8 6.679E-8 1.493E-7 3.3389999999E-7 7.467E-7 0.0000016699999999 0.000003733 0.000008348 0.00001867 0.00004174 0.00009334 86-73-7 6853 144209338 A A Fluorene c1cccc2Cc3ccccc3c12 Tox21_202140 -NCGC00259431-01 196706607 tox21-ror-cho-viability-p1 set1 4 -8.33452092 -6.09495723 -9.264441 -13.81209984 -10.92765457 -4.02406847 0.55938592 -7.1377053 -9.84236332 -11.02260653 7.13165857 -12.35918979 -4.04984351 -3.17017842 -9.21211132 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 7705-08-0 166033 144209080 Ferric chloride [Fe+3].[Cl-].[Cl-].[Cl-] Tox21_201882 -NCGC00259333-01 196706610 tox21-ror-cho-viability-p1 set1 4 5.51004183 0.72345692 2.33087287 2.79745175 -0.26842092 -0.28776293 -0.76929389 -8.99365852 6.20056971 14.95971544 0.56863402 0.00942539 0.58898549 2.50307524 0.61846757 1.166E-9 2.6069999999E-9 5.83E-9 1.304E-8 2.9149999999E-8 6.518E-8 1.457E-7 3.259E-7 7.287E-7 0.0000016299999999 0.0000036439999999 0.0000081479999999 0.00001822 0.00004074 0.00009109 121-14-2 8461 144208982 A A 2,4-Dinitrotoluene Cc1ccc(cc1[N+](=O)[O-])[N+]([O-])=O Tox21_201784 -NCGC00259178-01 196706615 tox21-ror-cho-viability-p1 set1 4 -5.82495313 2.79375272 -5.2920191 -7.37086482 -4.88668902 -3.84942442 -6.05899344 -6.83798335 1.40909782 0 -2.63142266 -0.79457406 -9.48610015 -11.33614186 2.23977586 1.2009999999E-9 2.6849999999E-9 6.0029999999E-9 1.3419999999E-8 3.002E-8 6.712E-8 1.501E-7 3.356E-7 7.5039999999E-7 0.0000016779999999 0.0000037519999999 0.0000083889999999 0.00001876 0.00004195 0.000093799999999 112-60-7 8200 144208827 D Tetraethylene glycol OCCOCCOCCOCCO Tox21_201629 -NCGC00258814-01 196706617 tox21-ror-cho-viability-p1 set1 4 24.7578530296 -22.4214644799 1 -21.4214644799 0.8999999999 0.8858032421 0.0006246279 -2.86114072 -1.30957718 2.78426064 1.49264501 1.46738824 1.97276018 3.14460023 1.33093225 2.21514728 -2.00691368 -5.69855434 -2.15466484 -10.11033429 -12.32347466 -16.6012204 1.197E-9 2.676E-9 5.983E-9 1.338E-8 2.9909999999E-8 6.689E-8 1.496E-7 3.344E-7 7.478E-7 0.0000016719999999 0.0000037389999999 0.000008361 0.000018699999999 0.00004181 0.00009348 57-91-0 68570 144208460 A A 17alpha-Estradiol Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@H](O)CC[C@@H]12)c4cc3 Tox21_201262 -NCGC00259684-01 196706618 tox21-ror-cho-viability-p1 set1 4 -0.81914399 -1.65558075 0.3761655 -4.81794653 -11.47264268 -8.34884779 0.99928705 -2.8322561 -2.00562457 0 0.57205308 -14.57146048 0.38060366 -4.72610312 1.43152079 1.25E-9 2.796E-9 6.2519999999E-9 1.3979999999E-8 3.126E-8 6.99E-8 1.563E-7 3.4949999999E-7 7.815E-7 0.000001747 0.000003907 0.000008737 0.00001954 0.000043679999999 0.00009768 78-90-0 6567 144209333 B F 1,2-Diaminopropane CC(N)CN Tox21_202135 -NCGC00259387-01 196706619 tox21-ror-cho-viability-p1 set1 -2.4 17.4745174677 -24.744147388 -1 -25.744147388 3.5117481694 0.9284533192 0.0000578181 0.38283144 -0.93392774 0.37476183 1.13779447 0.23623989 -2.99726983 -2.58731902 -1.99510135 -8.09179065 2.18121081 -1.09631727 -1.74729092 -13.97831607 -26.03678949 -24.63223374 1.194E-9 2.671E-9 5.972E-9 1.335E-8 2.986E-8 6.677E-8 1.493E-7 3.338E-7 7.465E-7 0.000001669 0.000003733 0.000008346 0.00001866 0.000041729999999 0.00009331 51630-58-1 3347 144209036 A A Fenvalerate Clc1ccc(cc1)C(C(C)C)C(=O)OC(C#N)c3cccc(Oc2ccccc2)c3 Tox21_201838 -NCGC00257488-01 196707022 tox21-ror-cho-viability-p1 set1 4 0.97966499 1.96860122 0.81989656 0.90692387 2.23754079 1.7476281 0.7467107 1.91416576 1.90742909 1.59461956 -0.02946839 1.12105482 0.86806429 -0.16790491 0.14674436 1.1689999999E-9 2.614E-9 5.845E-9 1.3069999999E-8 2.9229999999E-8 6.535E-8 1.461E-7 3.268E-7 7.3069999999E-7 0.0000016339999999 0.000003653 0.000008169 0.00001827 0.00004085 0.00009134 4065-45-6 19988 144213779 A A Sulisobenzone OS(=O)(=O)c1cc(c(O)cc1OC)C(=O)c2ccccc2 Tox21_303469 -NCGC00257239-01 196726610 tox21-ror-cho-viability-p1 set3 4 -0.27595986 1.32808821 2.42522026 3.09449345 2.29837455 3.71431574 0.81517751 -0.91387247 4.30699231 0.75997858 -2.39316599 -2.45092362 0.40878915 -3.32100623 3.63831883 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10081-67-1 82343 144213704 F Ac 4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline CC(C)(c1ccccc1)c2ccc(cc2)Nc3ccc(cc3)C(C)(C)c4ccccc4 Tox21_303392 -NCGC00090952-07 196725785 tox21-ror-cho-viability-p1 set3 2.4 55.4259289229 26.1811118239 -1.1811118239 25 2.3531167061 0.8455537422 0.0025885088 0.50582373 3.4115284 0.0905557 2.53296341 -1.26635293 -3.22345111 -5.15092652 -4.4430763 -0.51668925 -2.64306982 -1.63287617 0.45137112 2.01342879 7.32689275 19.17904938 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00090701-06 196726197 tox21-ror-cho-viability-p1 set3 4 -2.0991474 0 -13.69321973 6.34744602 -10.72891634 -3.49332013 -12.37677425 -13.04365494 2.81525563 4.75689555 4.73525766 -14.60737006 1.065847 4.17406828 -9.12871026 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00256698-01 196726601 tox21-ror-cho-viability-p1 set3 4 0.41120322 -1.54303706 -3.70899776 -2.50548659 0.49117589 -2.77623205 0.47629088 -0.74235616 1.16057379 -1.93678846 -2.66840038 0.03552392 0.85054154 0.21344869 -2.46364229 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 1191-62-4 14493 144213926 F Bc 1,8-Octanedithiol SCCCCCCCCS Tox21_303621 -NCGC00256949-01 196726618 tox21-ror-cho-viability-p1 set3 4 0.44310958 -6.90888733 -27.54949747 -11.21637476 -20.98227886 -0.32924609 0 0 -2.57049733 0 0 -9.57723224 -11.8781995 -2.34964027 -5.98864229 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-01-3 31237 144213378 A Fns Dodecylbenzene CCCCCCCCCCCCc1ccccc1 Tox21_303061 -NCGC00256398-01 196727019 tox21-ror-cho-viability-p1 set3 4 0.4855773367 -5.9525256759 3.5 -2.4525256759 2.2481167061 0.3939020543 0.2953906423 -0.74865696 5.48296146 5.82688527 0.66395762 6.69840007 1.44778842 5.18887721 0.62003948 -0.53853686 0 -11.62710473 0.81193755 0.05803501 -1.60595306 1.27377628 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-52-0 7195 144213145 A A 6-Nitrobenzimidazole [O-][N+](=O)c1cc2ncnc2cc1 Tox21_302828 -NCGC00015675-08 196727029 tox21-ror-cho-viability-p1 set3 4 1.07443758 -1.27765977 1.92279543 0.06076517 -15.91065565 0.6338776 -2.77291733 -26.24261967 -22.97789691 -4.90681314 -2.05898957 -0.11780499 -0.53769798 -0.35569402 8.51957001 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00256818-01 196727035 tox21-ror-cho-viability-p1 set3 4 1.318084 0.22471689 1.92969127 1.76361666 2.59752949 2.81871457 2.19435209 0.42401347 1.50950688 -1.08372797 0.80752909 -0.00710083 -1.32419292 -1.24861664 -1.22695786 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61791-12-6 144212860 M M Cremophor EL Tox21_302543 -NCGC00256315-01 196727444 tox21-ror-cho-viability-p1 set3 4 3.28172832 -8.11594849 -0.27571305 -7.04462596 -8.69832612 0 -0.41891709 -4.32496388 0 0 -1.34188744 -2.87771054 -4.50630505 3.02255782 -6.34857017 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2244-16-8 16724 144213060 A F d-Carvone CC1=CC[C@@H](CC1=O)C(C)=C Tox21_302743 -NCGC00257090-01 196727447 tox21-ror-cho-viability-p1 set3 -2.2 48.5577336745 -49.0163694075 1 -48.0163694075 1.6258976909 0.9694092459 5.435E-7 0.4766382 -1.26111158 1.91681251 2.93406112 2.93096019 2.58536659 -1.41105004 -0.85412348 0.29998175 -0.4488525 1.25650086 -0.40537965 -10.79129105 -17.87070025 -36.37603743 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 518-82-1 3220 144213535 A A Emodin Cc3cc2C(=O)c1cc(O)cc(O)c1C(=O)c2c(O)c3 Tox21_303218 -NCGC00179619-06 196698449 tox21-ror-cho-viability-p1 set1 4 0.22691495 5.90738897 3.18841652 1.20191244 1.97163019 -0.59325645 6.13901063 7.35046597 0.8791611 -0.98555352 -0.19374359 -0.49439162 1.40076474 0.06784694 5.32376922 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 134-36-1 71277 170465433 F Erythromycin propionate CCC(=O)O[C@@H]3[C@H](C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](C)[C@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)N(C)C Tox21_113189_1 -NCGC00179364-03 196698025 tox21-ror-cho-viability-p1 set1 4 0.0010590929 -7.6447715479 6 -1.6447715479 3.1319983358 0.451882493 0.2266409953 5.00067821 0.89939971 -2.60824538 0.62937331 -5.49099525 -5.95397629 0.62519555 -0.19350411 -1.01753111 -3.0364094 -3.68438818 -0.51449272 -0.75902073 -1.09595768 -0.34490428 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87771-40-2 3741 170464725 I Ioversol OCC(O)CNC(=O)c1c(I)c(N(CCO)C(=O)CO)c(I)c(c1I)C(=O)NCC(O)CO Tox21_110709_1 -NCGC00024485-08 196716678 tox21-ror-cho-viability-p1 set2 4 0.56537392 1.7352132 0.742902 2.46055479 3.13589068 2.79984433 2.70626109 2.61136981 2.26746767 1.10077868 1.50350925 0.02115068 0.51761693 2.83570997 0.06387412 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 38090-53-8 5310987 170466883 F (E)-4-amino-2-butenoic acid NC\C=C\C(=O)O Tox21_110902_1 -NCGC00015870-27 196716677 tox21-ror-cho-viability-p1 set2 4 0.3349145963 4.4220838479 -3.9220838479 0.5 4.9549173134 0.3380544207 0.3341292425 0.5438896 -0.12227701 -6.77274421 -2.67926333 -1.80250262 -11.60173654 -3.33291151 -4.02237899 -1.01831034 0.35219815 0.27834447 0.17776616 0.56785428 -0.61129581 0.85382328 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6151-25-3 5284452 170466817 A Quercetin O.O.Oc1ccc(cc1O)C=3Oc2cc(O)cc(O)c2C(=O)C=3O Tox21_110761_1 -NCGC00090701-06 196716682 tox21-ror-cho-viability-p1 set2 4 -1.71055868 -1.253308 2.07254517 2.87923831 6.09601147 5.0233649 8.0560786 4.23633427 -0.09833889 -1.2513438 0.87735287 -0.24741867 2.46676039 2.65430053 1.30400224 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00015036-11 196717085 tox21-ror-cho-viability-p1 set2 4 -0.07429454 1.33337046 0.00160996 3.83488736 8.23453329 5.09838988 7.63105659 5.40046088 -0.87263905 2.58826554 1.87202414 -0.00335639 2.31205477 3.27947084 1.5292549 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 768-94-5 2130 170464860 A Amantadine hydrochloride NC13CC2CC(CC(C1)C2)C3 Tox21_110068_1 -NCGC00178319-06 196717086 tox21-ror-cho-viability-p1 set2 4 0.16785492 7.978557768 -5.478557768 2.5 2.2526478767 0.8004722923 0.0079814322 -2.71018649 -10.39879814 -7.25768225 -3.1757313 -4.25405505 -3.93217277 -5.34746356 -2.08112842 2.58969445 1.78277122 1.78258391 2.76573518 3.19384256 1.20317243 2.35363559 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15318-45-3 27200 170465845 A Thiamphenicol O=S(C)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_110577_1 -NCGC00344525-01 196717503 tox21-ror-cho-viability-p1 set2 4 2.71347893 2.29804477 0.66385292 2.68182235 2.46652069 2.65328132 -0.60471398 1.28918906 0.00846706 -3.55500293 1.20096853 0.24986754 0.49530856 0.19959125 1.57088476 1.1799999999E-10 2.638E-10 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 60-18-4 6057 170466853 Z L-Tyrosine Oc1ccc(C[C@H](N)C(=O)O)cc1 Tox21_111594_1 -NCGC00178810-03 196717516 tox21-ror-cho-viability-p1 set2 1.1 3.7578035763 88.8877214696 3.9009012329 92.7886227025 3.9294729863 0.9938833402 0 3.23945718 2.74402657 4.01560963 4.26239349 4.34236595 4.3455176 4.94532393 5.13196216 6.7654101 1.88730632 6.44867109 57.93053046 92.37237467 84.93322477 97.87829399 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1476-53-5 23663939 170465360 A Novobiocin sodium [Na+].C/C(C)=C\Cc1cc(ccc1O)C(=O)NC3=C([O-])c4ccc(O[C@@H]2OC(C)(C)[C@H](OC)[C@@H](OC(N)=O)[C@H]2O)c(C)c4OC3=O Tox21_110747_1 -NCGC00164632-02 196717911 tox21-ror-cho-viability-p1 set2 4 0.88570853 -1.23661052 0.43141664 4.30388383 4.08451527 0.4239453 -1.18982461 1.12516174 1.87943973 1.91715917 2.05298599 0.44146996 1.99534952 1.1276129 -0.79307265 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5630-53-5 444008 170465874 F Tibolone O=C1CC=2C[C@@H](C)[C@H]3[C@@H]4CC[C@@](O)(C#C)[C@@]4(C)CC[C@@H]3C=2CC1 Tox21_112250_1 -NCGC00258707-01 196715870 tox21-ror-cho-viability-p1 set2 4 -0.10037424 3.56406656 3.93067022 2.04168933 5.88450195 1.54047051 -0.17666665 3.44332954 5.02676133 1.86401486 1.01859772 6.07412428 3.74696384 1.76744345 1.92708986 1.212E-9 2.711E-9 6.061E-9 1.3549999999E-8 3.031E-8 6.7769999999E-8 1.515E-7 3.388E-7 7.577E-7 0.0000016939999999 0.0000037879999999 0.0000084709999999 0.00001894 0.000042359999999 0.000094709999999 592-45-0 5365552 144208353 FNS 1,4-Hexadiene C=CC\C=C\C Tox21_201155 -NCGC00091663-03 196715451 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -11.800527916 -1 -12.800527916 4.4494702849 0.3836237233 0.290404346 0.78905444 -0.60156972 -6.90010518 2.42696825 -4.91120131 1.8090475 0.27491164 0.45105778 0.48469496 -1.08211895 -5.10180617 -0.16489211 -0.54996838 -1.50204247 -9.00043993 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00257976-01 196715859 tox21-ror-cho-viability-p1 set2 4 0.14000877 1.0458699 1.6595053 -6.73650408 0.72397989 -2.48618942 -5.25902048 -0.3374687 -4.39141797 -7.08696505 0.96713194 -4.58135692 -2.2581394 -3.53753048 -2.51090547 1.182E-9 2.6429999999E-9 5.9109999999E-9 1.322E-8 2.955E-8 6.608E-8 1.4779999999E-7 3.304E-7 7.388E-7 0.0000016519999999 0.0000036939999999 0.0000082599999999 0.000018469999999 0.000041299999999 0.00009235 594-42-3 11666 144207620 Perchloromethylmercaptan ClC(Cl)(Cl)SCl Tox21_200422 -NCGC00258053-01 196715867 tox21-ror-cho-viability-p1 set2 4 0.283408 2.6695179 0.05567624 2.3622023 2.20998256 4.60710276 0.37526025 2.72313264 1.43092186 3.66513491 1.38574386 3.09370322 1.10880441 3.38507111 2.64206986 1.218E-9 2.723E-9 6.0889999999E-9 1.361E-8 3.044E-8 6.807E-8 1.522E-7 3.4039999999E-7 7.611E-7 0.000001702 0.000003805 0.000008509 0.00001903 0.00004255 0.000095129999999 3741-38-6 77342 144207697 FNS Glycol sulfite O=S1OCCO1 Tox21_200499 -NCGC00254077-01 196714428 tox21-ror-cho-viability-p1 set2 4 3.71811079 3.61267705 1.79000974 0.27180595 2.84763067 1.51226828 -0.98245946 2.26907219 0.98203804 -0.84797789 2.75201514 5.96165272 5.42522169 2.54246234 4.40972749 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 110-85-0 4837 144210424 Piperazine C1CNCCN1 Tox21_300104 -NCGC00254417-01 196714016 tox21-ror-cho-viability-p1 set2 4 -1.33390243 -2.46368294 1.80781588 4.94152476 -1.45217806 1.73589846 -0.10353957 4.27715653 -1.50770959 -0.20320902 1.15242701 1.96587066 2.09336566 1.6975035 2.15773184 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_47394 20725980 144210947 A Ac Grinstad Soft-N-Safe O=C(C)OC(COC(C)=O)COC(=O)CCCCCCCCCCC(CCCCCC)OC(C)=O Tox21_300630 -NCGC00094521-05 196714032 tox21-ror-cho-viability-p1 set2 -2.4 61.130564862 -28.889913416 -0.5 -29.389913416 1.0999999999 0.787435008 0.0102796756 2.21169822 -0.18712837 0.17260518 1.26894014 0.11618995 -0.58951687 -3.65334561 0.41406953 1.09669108 -6.71532348 0.43464645 -4.94939782 -9.05154699 -6.42537571 -21.15826118 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00254420-01 196714036 tox21-ror-cho-viability-p1 set2 4 -2.28083924 0.84136389 -0.23788575 -1.84809439 -2.42861193 1.24995777 5.03989106 4.23469181 -1.61588109 0.52157362 0.35987135 2.39050951 3.38792311 2.66677322 0.5381678 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4904-61-4 638081 144210719 AC Fns 1,5,9-Cyclododecatriene C1C=CCCC=CCCC=CC1 Tox21_300401 -NCGC00091080-03 196714446 tox21-ror-cho-viability-p1 set2 4 72.2872373268 16.622743928 1.377256072 18 4.9549173134 0.6536206744 0.0626572607 2.19952537 -1.13142729 2.23305488 -0.55742157 4.19666155 1.86863974 4.28522298 -2.18561994 2.97695449 2.12398697 0.3415277 3.76713415 4.13719723 -1.79058986 14.09273219 1.1199999999E-9 2.5029999999E-9 5.5979999999E-9 1.2519999999E-8 2.799E-8 6.259E-8 1.399E-7 3.129E-7 6.9969999999E-7 0.0000015649999999 0.000003499 0.000007823 0.000017489999999 0.00003912 0.00008747 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00255121-01 196710308 tox21-ror-cho-viability-p1 set2 4 -2.15866847 -0.11256821 -3.65033127 -0.78070282 -3.56657369 0.03752827 -0.74409226 -1.5170993 -0.35026261 -0.28681351 0.28391179 -0.66103958 0.31897872 0.29034346 -3.03733263 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 70124-77-5 12797557 144212571 A I Flucythrinate FC(F)Oc1ccc(cc1)[C@H](C(C)C)C(=O)OC(C#N)c3cc(Oc2ccccc2)ccc3 Tox21_302254 -NCGC00257542-01 196709900 tox21-ror-cho-viability-p1 set2 4 3.8620222 -0.27663083 4.49074873 -0.39587045 2.78138656 2.17396181 -1.86972996 3.28129247 -0.10275322 0.75826505 3.30928016 1.44788011 3.2490693 -0.49129687 2.17851943 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7681-11-0 4875 144211610 Potassium iodide [K+].[I-] Tox21_301293 -NCGC00255237-01 196709901 tox21-ror-cho-viability-p1 set2 4 1.03472826 1.88125663 0.94125522 -0.09134067 -1.36502643 1.62761434 1.69319862 3.04318298 2.59331656 0.17762639 1.78757409 -0.59261577 -1.13463197 0.69240389 3.76036663 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25954-13-6 33256 144212234 A A Fosamine ammonium [NH4+].NC(=O)P([O-])(=O)OCC Tox21_301917 -NCGC00255867-01 196710294 tox21-ror-cho-viability-p1 set2 4 1.66209128 5.72675589 7.65404869 6.97597573 5.54193679 3.95123626 4.67275561 1.86090887 4.91537201 6.74359191 3.14844518 5.51815891 3.99625052 3.81893608 -0.1212206 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90717-03-6 91749 144212189 A A Quinmerac O=C(O)c1c(Cl)ccc2cc(C)cnc12 Tox21_301872 -NCGC00255190-01 196710313 tox21-ror-cho-viability-p1 set2 4 -3.05390713 -1.0228912 0.37439728 -2.59589638 -2.42936621 -1.2272433 -6.55951159 -2.90349304 -0.66433508 1.11024436 -0.1600339 -8.61271297 -6.34025814 -7.09975355 -6.01759635 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 64628-44-0 47445 144212191 A A Triflumuron O=C(NC(=O)Nc1ccc(OC(F)(F)F)cc1)c2ccccc2Cl Tox21_301874 -NCGC00255663-01 196711132 tox21-ror-cho-viability-p1 set2 1.1 21.6899429044 89.6437588156 1.5072685069 91.1510273225 4.9549173134 0.9957819589 0 2.68533593 6.03946226 5.27179131 1.77938129 0.10055634 2.2980136 0.49868208 2.00022472 -0.5173735 0.0652587 1.26915789 1.11308093 27.85636104 85.89645375 93.20145943 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6164-98-3 22544 144211893 A A Chlordimeform Clc1cc(C)c(/N=C/N(C)C)cc1 Tox21_301576 -NCGC00260124-01 196711541 tox21-ror-cho-viability-p1 set2 4 -2.38370164 0.00078295 4.40710708 5.39681422 -2.13943164 -1.52410213 0.79302674 6.43295373 -1.16472419 2.56640003 1.04717529 1.22352268 0.07444467 4.17508323 3.02737728 1.14E-9 2.55E-9 5.7019999999E-9 1.2749999999E-8 2.851E-8 6.375E-8 1.4249999999E-7 3.1869999999E-7 7.127E-7 0.000001594 0.000003564 0.000007969 0.00001782 0.00003984 0.00008909 2768-02-7 76004 144209773 F Vinyltrimethoxysilane C=C[Si](OC)(OC)OC Tox21_202575 -NCGC00260423-01 196711540 tox21-ror-cho-viability-p1 set2 4 -5.83850093 -0.01459026 -0.2085166 0.20974027 1.4117517 -0.21414791 -0.04059813 -0.33879674 -3.89903558 0.74574202 2.40160928 2.77462529 2.80856569 3.80871383 -0.25137491 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.0000082699999999 0.000018489999999 0.00004135 0.000092459999999 92-43-3 7090 144210075 A B 3-Pyrazolidinone,1-phenyl- O=C1CCN(N1)c2ccccc2 Tox21_202877 -NCGC00255408-01 196728539 tox21-ror-cho-viability-p1 set3 4 -26.62571539 -0.23713508 -0.19706046 -1.08631786 1.23587182 -1.06373689 3.22162725 0.41408973 1.47858406 -3.95652695 0.07863024 -3.65056354 -0.04294162 -0.90670097 -3.99818884 6.901E-10 1.543E-9 3.4509999999E-9 7.716E-9 1.725E-8 3.858E-8 8.6269999999E-8 1.929E-7 4.313E-7 9.645E-7 0.000002157 0.000004822 0.000010779999999 0.000024109999999 0.00005392 80214-83-1 444037 144212152 A A Roxithromycin CN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)\C(=N\OCOCCOC)[C@H](C)C[C@@]2(C)O)[C@@H]3O Tox21_301835 -NCGC00260243-01 196724313 tox21-ror-cho-viability-p1 set3 -2.4 27.0840205159 -26.382962564 -1 -27.382962564 0.7999999999 0.8203913858 0.0050454546 -4.32440057 -3.5858332 -2.89078658 -0.16143011 -3.42193378 -1.11665545 4.90275913 2.06262766 -4.79893935 -0.95206897 -7.49994661 -10.96396211 -11.07581759 -13.7235637 -21.56913547 1.172E-9 2.6199999999E-9 5.859E-9 1.31E-8 2.929E-8 6.55E-8 1.465E-7 3.275E-7 7.324E-7 0.0000016379999999 0.000003662 0.000008188 0.00001831 0.00004094 0.00009154 1906-79-2 15927 144209893 D 1-Ethylpyridinium bromide [Br-].CC[n+]1ccccc1 Tox21_202695 -NCGC00260018-01 196724321 tox21-ror-cho-viability-p1 set3 4 0.0053112782 17.600749664 -9.100749664 8.5 0.2 0.4672269921 0.2097729952 -6.75062472 1.67321283 1.03626062 1.47819992 2.47874253 -3.44171854 4.68826822 2.18593081 1.86567715 4.40140172 6.13892925 0.01965884 5.75231075 3.83458991 9.49324076 5.902E-10 1.32E-9 2.951E-9 6.598E-9 1.4749999999E-8 3.299E-8 7.377E-8 1.65E-7 3.688E-7 8.2479999999E-7 0.000001844 0.000004124 0.000009221 0.00002062 0.00004611 68631-49-2 155166 144209667 Fc 2,2',4,4',5,5'-Hexabromodiphenyl ether Brc2cc(Oc1cc(Br)c(Br)cc1Br)c(Br)cc2Br Tox21_202469 -NCGC00256209-01 196728950 tox21-ror-cho-viability-p1 set3 4 0.08851432 -3.89928852 6.71132527 10.08801281 10.55122977 5.63530006 11.53961705 -6.83432604 4.80872994 8.66983054 9.29521092 2.65342232 4.21181099 8.18508163 0.55855748 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67151-63-7 106705 144211623 Z Z 1-{Bis[3-(dimethylamino)propyl]amino}propan-2-ol CN(C)CCCN(CC(C)O)CCCN(C)C Tox21_301306 -NCGC00255571-01 196728943 tox21-ror-cho-viability-p1 set3 4 8.083381964 -8.847232276 3 -5.847232276 1.5094870999 0.3821009699 0.2899153792 -2.59373309 -0.03919446 8.00157873 9.91281357 -0.91394603 0.1946535 0.21300213 9.23118195 3.63718854 -0.43233887 0.85444314 1.90988435 -4.01343447 -4.73733372 -5.28936023 7.6089999999E-10 1.701E-9 3.805E-9 8.507E-9 1.9019999999E-8 4.254E-8 9.512E-8 2.127E-7 4.756E-7 0.0000010629999999 0.000002378 0.000005317 0.00001189 0.000026589999999 0.00005945 3521-62-8 441371 144212546 D Erythromycin estolate O=S(=O)(O)OCCCCCCCCCCCC.CCC(=O)O[C@@H]3[C@H](C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](C)[C@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)N(C)C Tox21_302229 -NCGC00255968-01 196728944 tox21-ror-cho-viability-p1 set3 4 10.8707224818 26.9247208639 -8.9247208639 18 1.0999999999 0.5677084997 0.1362092714 -3.4566448 -4.06167519 -10.48810127 -4.35503752 -14.12976354 -12.90550838 -14.52060072 -11.09274113 -13.88649826 10.24600966 -10.36386124 1.22837029 10.28323856 12.41791002 1.26254056 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 34451-19-9 6999977 144211634 A Ac Butyl (2S)-2-hydroxypropanoate O[C@@H](C)C(=O)OCCCC Tox21_301317 -NCGC00255118-01 196728954 tox21-ror-cho-viability-p1 set3 4 -1.07513688 2.97538973 -1.56394174 -0.11551101 -0.14827846 0.94027145 -3.05798875 0.58035755 1.8981369 -0.27337023 -0.06021352 -4.99006883 0.9205088 -1.45432718 0.53463748 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22398-80-7 31170 144212597 Indium(III) phosphide [In]#P Tox21_302280 -NCGC00256251-01 196728960 tox21-ror-cho-viability-p1 set3 4 0.15695703 3.85648045 8.55679554 1.31117305 -0.30224494 -4.76769117 -12.12567111 1.6675769 0.1955006 1.25135536 -7.92220513 6.09976535 7.62697098 4.36358832 -0.77294532 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 32435-46-4 122612 144211968 F F Bis(methacryloyloxyethyl) hydrogen phosphate O=C(OCCOP(O)(=O)OCCOC(=O)C(=C)C)C(=C)C Tox21_301651 -NCGC00257763-01 196729356 tox21-ror-cho-viability-p1 set3 4 1.90486659 0.11278198 1.06376918 2.42556682 -0.72334694 -0.01261447 1.31594347 -1.06691638 1.47238005 0.98538195 0.41909583 0.4197597 -1.27951062 0.57446129 1.30367538 1.191E-9 2.663E-9 5.954E-9 1.331E-8 2.977E-8 6.657E-8 1.489E-7 3.3279999999E-7 7.4429999999E-7 0.0000016639999999 0.000003721 0.0000083209999999 0.00001861 0.000041609999999 0.00009303 111-41-1 8112 144207407 AC F N-(Hydroxyethyl)ethylenediamine NCCNCCO Tox21_200209 -NCGC00163953-03 196729361 tox21-ror-cho-viability-p1 set3 -2.1 57.7677653226 -78.2272531314 -3.966989803 -82.1942429344 3.0654483358 0.970314451 4.573E-7 -4.21105317 -0.841468 -7.61252682 -1.93585735 -1.89869061 -6.45682167 -2.0898563 -6.28185771 -7.30109397 -4.10726664 -4.8838868 -4.44014479 1.34092611 -29.48657209 -68.32897192 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00256599-01 196718297 tox21-ror-cho-viability-p1 set2 4 0.75970817 -5.14263115 2.14390556 -0.81553347 -4.07860408 -4.68839042 -4.78357476 -2.30327717 0.04471552 -4.62070573 -5.43511878 -4.96992146 0.44031143 -4.88064677 -5.29465085 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-74-9 7255 144213072 A A 3-Chloro-4-methylaniline Nc1cc(Cl)c(C)cc1 Tox21_302755 -NCGC00263521-01 196723234 tox21-ror-cho-viability-p1 set3 4 0.1059092946 6.833580828 0.166419172 7 1.826479391 0.3584881961 0.3124389957 -0.22828242 -0.46104695 2.44931691 -1.07983271 -0.17942248 2.68937263 2.61035415 2.25939122 11.0261354 6.87189327 5.85267712 9.46121663 -3.19465069 3.55010469 15.30939615 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14484-47-0 189821 170466610 A Deflazacort CC(=O)OCC(=O)[C@@]54N=C(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_112506_1 -NCGC00164077-02 196723236 tox21-ror-cho-viability-p1 set3 4 1.5355303643 -19.8309246519 12.5 -7.3309246519 1.21 0.8131730749 0.0059599478 10.65336749 10.03650937 16.35042574 17.31230734 10.03899978 5.66352138 19.59036517 7.35765233 4.99407191 4.15953911 -3.93804503 -4.66922154 -6.48375544 -1.70356385 -11.94243721 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00254288-01 196719552 tox21-ror-cho-viability-p1 set3 -2.4 68.5896218971 -27.80916886 -3.5 -31.30916886 3.9899729863 0.6797813874 0.0478060181 -9.55931481 -10.75800135 -8.47281702 -1.84568466 -4.55993349 -6.27182295 -3.31223959 0.49452444 -0.80995502 0.09973125 -4.12887191 -0.14443013 1.0079469 -6.37186431 -24.84097405 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-60-8 6937 144210804 A A 2-tert-Butyl-5-methylphenol CC(C)(C)c1ccc(C)cc1O Tox21_300486 -NCGC00090874-04 196718298 tox21-ror-cho-viability-p1 set2 4 -0.60806001 0.20747384 -0.57911726 -0.03139428 2.50801589 0.74795953 2.68841244 0.89898143 2.06650011 -1.30676723 1.5554299 -1.81401046 -2.16731161 -1.8294257 -3.90177387 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00254933-01 196719551 tox21-ror-cho-viability-p1 set3 4 0.5448267328 14.5702867879 -12.5702867879 2 0.6999999999 0.7813338856 0.0115270582 -14.22502055 -8.47332724 -15.47523899 -12.58778507 -9.72982023 -10.13658669 -2.89320059 -8.48260601 -10.34019714 0.29941091 0.71248881 0.45615898 1.89859473 2.60297944 -1.19034208 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-85-1 7778 144211348 C 3,7-Dimethyloct-6-en-1-yl formate C\C(C)=C\CCC(C)CCOC=O Tox21_301031 -NCGC00254313-01 196719555 tox21-ror-cho-viability-p1 set3 1.4 1.7228934059 29.066013464 -17.066013464 12 0.3 0.9068281342 0.0002267591 -14.20733069 -16.30501122 -10.41172824 -10.02420544 -9.34086031 -12.09836523 -5.9182479 -5.42616503 -2.79251983 -5.35805235 0.26794503 -1.58938974 -0.05292484 6.48627339 7.80684438 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 599-79-1 5359476 144210859 A A Sulfasalazine O=S(=O)(Nc1ccccn1)c3ccc(/N=N/c2cc(C(=O)O)c(O)cc2)cc3 Tox21_300541 -NCGC00254880-01 196719563 tox21-ror-cho-viability-p1 set3 4 0.0108707225 14.396958888 -15.396958888 -1 0.4 0.6257512702 0.0799356906 -9.62043846 -14.49746574 -5.09253817 -6.58911809 -8.52024 -8.45076974 -1.24743731 -4.44004849 -1.92959194 -6.38127764 -0.98315195 -2.68279733 0.84076934 -2.00916463 -2.74356704 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56578-18-8 5283292 144211295 A A (E)-5-Decen-1-ol CCCC\C=C\CCCCO Tox21_300978 -NCGC00254106-01 196719569 tox21-ror-cho-viability-p1 set3 4 9.76159722 -8.46332107 14.1097519 22.57031358 17.77121904 10.08683712 8.66420804 3.02005555 14.20631421 9.24596901 -0.28369611 3.33401871 3.04287758 3.25944468 -2.12956337 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2687-25-4 17593 144210412 C Cc 2,3-Diaminotoluene Cc1cccc(N)c1N Tox21_300092 -NCGC00254510-01 196719573 tox21-ror-cho-viability-p1 set3 -2.4 48.5577336745 -40.243203418 6.105942742 -34.137260676 1.331 0.7875462827 0.0102106647 17.18104218 6.11467793 9.55651885 3.94982495 7.65997981 5.37932022 1.34403619 0.56706293 8.54495444 3.87459918 0.76625674 0.61850105 -2.26435333 -6.67639575 -24.93781266 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144210697 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_300379 -NCGC00254924-01 196719967 tox21-ror-cho-viability-p1 set3 1.4 0.0243365162 26.186832628 -23.186832628 3 0.3 0.7978011933 0.0083585914 -14.78214485 -20.98902719 -8.09944624 -5.61653924 -11.49205769 -9.52086259 -7.09457231 -6.57563233 -4.22661323 -2.78751267 -0.80151777 -1.88103926 0.00036447 0.04333516 2.23178115 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6306-60-1 80566 144211339 A A (2,4-Dichlorophenyl)acetonitrile Clc1cc(Cl)ccc1CC#N Tox21_301022 -NCGC00091586-02 196719970 tox21-ror-cho-viability-p1 set3 4 61.130564862 -15.23202456 4 -11.23202456 1.0999999999 0.3269610928 0.3425977483 7.61966395 2.60873684 -3.72859264 -2.64047989 6.96207191 10.81913973 9.5280243 3.57825623 4.88173523 -1.34120351 4.29528342 1.02746356 0.22356376 0.8432251 -7.6933538 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00254576-01 196714806 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -21.215611948 -2 -23.215611948 3.9294729863 0.663906649 0.0564195327 0.2184058 0.7504809 -1.39799997 -6.50767625 0.8000868 0.18307709 -1.15842777 -1.29843001 -2.07573583 -10.55017959 -2.0606118 -0.66232924 -2.63343939 -4.16411107 -18.09634329 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19666-30-9 29732 144210985 A A Oxadiazon O=C2OC(=NN2c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C Tox21_300668 -NCGC00091163-03 196719801 tox21-ror-cho-viability-p1 set3 4 6.6475462 2.28717328 3.77940612 5.36026126 -2.5324494 2.46531015 2.07241774 3.6323065 3.21501265 -5.77549573 -0.69417426 2.68251756 12.31356926 10.06937034 8.01253773 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00254257-01 196715221 tox21-ror-cho-viability-p1 set2 4 -7.54833021 -10.46725588 2.57028571 -2.64472432 -3.63965953 -1.06910609 -6.79587832 0.93903043 -1.49738468 -4.11797194 -6.30306413 -5.30944804 0.40220401 2.83782501 -5.82705699 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3739-38-6 19539 144210927 A A 3-Phenoxybenzoic acid O=C(O)c2cc(Oc1ccccc1)ccc2 Tox21_300610 -NCGC00254244-01 196714804 tox21-ror-cho-viability-p1 set2 -2.1 56.0077276892 -93.5831399002 0.9517598889 -92.6313800113 4.9549173134 0.9970650704 0 -0.39686724 0.43137771 2.44165631 -0.5669758 0.66313326 2.44680315 2.04453661 -0.5410942 2.83844872 1.72244553 0.82019386 1.83573681 -0.32153748 -10.51539253 -82.64395239 1.097E-9 2.4529999999E-9 5.486E-9 1.2269999999E-8 2.7429999999E-8 6.133E-8 1.371E-7 3.0669999999E-7 6.857E-7 0.0000015329999999 0.0000034289999999 0.000007667 0.00001714 0.000038329999999 0.000085709999999 NOCAS_47381 11477651 144210790 A A AVE8923 Cl.CCCOc1sc(c(C)c1Br)C(=O)N2CCC(CC2)c3cc(CN)ccc3F Tox21_300472 -NCGC00254108-01 196715215 tox21-ror-cho-viability-p1 set2 4 1.55112684 2.14429818 -0.31389364 -0.45218912 -0.39464848 1.39543383 1.89934059 0.39460458 1.39343839 0.60101126 0.37772495 0.16250653 5.20868167 4.16709865 1.9986148 7.9629999999E-10 1.781E-9 3.982E-9 8.9029999999E-9 1.991E-8 4.452E-8 9.954E-8 2.226E-7 4.9769999999E-7 0.000001113 0.0000024879999999 0.000005564 0.00001244 0.000027819999999 0.00006221 263553-33-9 60196400 144210539 A A GW473178E methyl benzene sulphonic acid O=S(=O)(O)c1ccc(C)cc1.CC(C)N(CC)C(=O)c1cc(C)cc(c1)OC[C@H](C)Nc2ccncc2 Tox21_300219 -NCGC00254977-01 196715225 tox21-ror-cho-viability-p1 set2 4 3.42586359 0.89953115 -0.82354864 0.11166029 2.72831237 -1.45594664 2.32831036 0.71748838 3.27560704 2.15395782 0.46625345 3.29246165 2.88837967 3.13571282 3.54705219 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 113136-77-9 11097730 144211393 A A Cyclanilide O=C(O)C1(CC1)C(=O)Nc2ccc(Cl)cc2Cl Tox21_301076 -NCGC00258024-01 196715623 tox21-ror-cho-viability-p1 set2 4 -2.32407223 -0.45816965 1.29976404 1.00600976 -0.28025418 -2.08443644 0.33543164 1.00836867 0.35978409 5.20633136 0.81297436 2.84620469 -1.62662144 3.35836138 2.00558891 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.65E-8 1.487E-7 3.325E-7 7.4339999999E-7 0.000001662 0.0000037169999999 0.000008312 0.00001859 0.00004156 0.00009293 107-83-5 7892 144207668 FNS 2-Methylpentane CC(C)CCC Tox21_200470 -NCGC00258301-01 196715641 tox21-ror-cho-viability-p1 set2 -2.4 38.9633557433 -25.2030456599 1 -24.2030456599 2.3331733767 0.9555122896 0.0000044548 3.09311853 3.43054153 -0.74881198 -0.08404489 0.5178842 2.60186668 0.35884125 -0.53959443 0.42038349 1.00068456 -0.58087677 1.78647447 -1.49992693 -13.66250396 -21.00253805 1.19E-9 2.661E-9 5.951E-9 1.331E-8 2.975E-8 6.653E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.000003719 0.000008317 0.0000186 0.00004158 0.00009298 609-93-8 11872 144207945 A A 4-Methyl-2,6-dinitrophenol O=[N+]([O-])c1cc(C)cc([N+]([O-])=O)c1O Tox21_200747 -NCGC00091657-02 196715646 tox21-ror-cho-viability-p1 set2 4 1.38689776 2.35121491 0.54637312 2.05984625 4.95161769 2.37714335 2.24071474 -1.29696668 0.6926081 2.9026021 -0.02458836 3.19159303 2.44625343 0.57967345 0.10497751 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00257871-01 196715647 tox21-ror-cho-viability-p1 set2 4 67.4751061423 16.6632566039 -1.1632566039 15.5 4.9549173134 0.7047013982 0.0364054842 1.91745467 -0.43754264 -6.38604717 -1.58851557 -1.48756551 0 1.64231389 -3.03450935 -3.00278507 -2.62806644 -0.07989136 0 2.48541353 -1.0484824 12.70257172 1.164E-9 2.603E-9 5.8199999999E-9 1.301E-8 2.91E-8 6.507E-8 1.4549999999E-7 3.254E-7 7.276E-7 0.0000016269999999 0.0000036379999999 0.000008134 0.00001819 0.00004067 0.00009094 4403-61-6 6028739 144207515 FNS 2-Methyl-2-butenenitrile C\C=C(\C)C#N Tox21_200317 -NCGC00257941-01 196716040 tox21-ror-cho-viability-p1 set2 4 -1.87826652 -2.61857081 -0.58847981 -3.75904403 -0.59371982 -4.43818014 -4.20205675 -0.08144555 -2.44839885 0.41805721 -4.75921899 -0.90161559 -0.61237816 -2.84640249 -0.82509075 1.167E-9 2.6109999999E-9 5.837E-9 1.305E-8 2.919E-8 6.5259999999E-8 1.459E-7 3.2629999999E-7 7.297E-7 0.0000016319999999 0.000003648 0.0000081579999999 0.000018239999999 0.000040789999999 0.000091209999999 99-52-5 7441 144207585 A A 2-Methyl-4-nitroaniline Cc1cc(ccc1N)[N+]([O-])=O Tox21_200387 -NCGC00257877-01 196716050 tox21-ror-cho-viability-p1 set2 4 0.68833117 -0.22042903 -2.30677395 -0.58683206 -3.80352003 -0.89229523 -1.9037008 -2.75161931 -1.8864493 -1.12215568 -1.34956461 1.73818874 -2.20264063 -0.936778 1.89660403 1.187E-9 2.6549999999E-9 5.937E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.3189999999E-7 7.421E-7 0.000001659 0.0000037099999999 0.000008297 0.00001855 0.000041479999999 0.00009276 523-87-5 10660 144207521 M M Dimenhydrinate CN(C)CCOC(c1ccccc1)c2ccccc2.O=C2c1nc(Cl)nc1N(C)C(=O)N2C Tox21_200323 -NCGC00257850-01 196716051 tox21-ror-cho-viability-p1 set2 4 -1.95053673 1.98474813 -3.47289433 -5.55379923 -3.43954353 -0.63281199 1.24688073 -0.2847538 -0.81912454 -0.31415972 -4.28769246 -4.36395468 -1.35885793 -0.71240028 1.221016 1.214E-9 2.7139999999E-9 6.0679999999E-9 1.357E-8 3.034E-8 6.7839999999E-8 1.517E-7 3.3919999999E-7 7.5849999999E-7 0.000001696 0.000003793 0.0000084809999999 0.00001896 0.000042399999999 0.000094819999999 15345-89-8 5273621 144207494 A A Desmethoxyyangonin COC=2C=C(/C=C/c1ccccc1)OC(=O)C=2 Tox21_200296 -NCGC00090702-02 196728589 tox21-ror-cho-viability-p1 set3 4 68.5896218971 15.7752152959 -0.2752152959 15.5 4.9549173134 0.6943292653 0.0412117799 -1.68163891 4.54738739 0.82074379 -2.44830852 0.23095067 0.85539057 -0.29956781 -0.80534789 0.37288836 -1.55016501 2.82984397 -3.97934608 1.60885102 0.15218891 12.40468865 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00255855-01 196728587 tox21-ror-cho-viability-p1 set3 4 1.37632972 -0.84717156 -4.31926969 -3.24626578 0.82114042 -0.01556507 -3.04634194 -4.00192152 2.94032742 1.97319219 2.56903572 -1.74349312 1.15397236 -1.10518115 1.19877087 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1187-03-7 14465 144211815 A A Tetraethylurea CCN(CC)C(=O)N(CC)CC Tox21_301498 -NCGC00256094-01 196728591 tox21-ror-cho-viability-p1 set3 4 0.0015355304 15.913016996 -13.413016996 2.5 4.9549173134 0.6963738369 0.0402199863 -10.34418083 1.46488915 3.36516541 3.32106585 1.40182008 -0.76705141 2.80301607 6.42879231 3.58400447 6.07648152 0.85653934 0.67125994 -1.5331832 2.9213476 1.83764782 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52298-44-9 104143 144211860 A A 4-Amino-2,5-dimethoxy-N-phenylbenzenesulfonamide O=S(=O)(Nc1ccccc1)c2cc(OC)c(N)cc2OC Tox21_301543 -NCGC00255434-01 196728593 tox21-ror-cho-viability-p1 set3 4 -2.20813042 2.14357269 2.21239357 -2.2704549 0.45653663 -2.34886311 -3.34063672 0.87603719 2.97504803 -0.86493905 -0.61655828 -5.09580225 -0.37097665 -1.93670736 0.39215208 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2760-98-7 72700 144211777 A C 1,3-Benzenedicarboxylic acid, dihydrazide O=C(NN)c1cccc(c1)C(=O)NN Tox21_301460 -NCGC00091650-03 196728999 tox21-ror-cho-viability-p1 set3 4 0 -1.90303609 -3.0396367 7.28271356 -3.48972315 -3.72879731 -5.06144136 -6.09359387 -5.53769185 5.98763227 -2.35525307 -4.79334669 0 -9.53917677 2.50233771 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00255517-01 196729001 tox21-ror-cho-viability-p1 set3 4 -1.80197991 -5.94561899 -3.62822267 -5.19199486 -3.92447264 -2.16884652 -2.31416263 -3.59288063 -4.28652513 -2.75236253 -4.10438225 -7.72903469 -7.18943179 -1.37034993 -0.93830448 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63133-82-4 113033 144212313 A F 2-Chloro-4,6-dimethylaniline Cc1cc(C)cc(Cl)c1N Tox21_301996 -NCGC00256036-01 196729003 tox21-ror-cho-viability-p1 set3 4 13.6854287769 -7.605953224 1.5 -6.105953224 3.0654483358 0.5679069615 0.1384175498 0 -1.28533153 1.73123596 -1.19732532 4.31039958 3.41562604 0.39866796 -0.33721968 4.30005712 4.68598567 1.497627 1.94439692 -5.50496102 -5.02982263 -1.75708815 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 36177-92-1 118285 144212062 A Ac N-Butyl-2,2,6,6-tetramethylpiperidin-4-amine CC1(C)CC(NCCCC)CC(C)(C)N1 Tox21_301745 -NCGC00066947-05 196729005 tox21-ror-cho-viability-p1 set3 4 1.94351611 1.11305522 0.64564804 0.32685288 -0.90563614 2.19919238 3.51571406 -2.29065431 4.80906813 0.24315537 4.270908 0.84395207 2.57897285 0.59741728 -0.78487161 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00095042-06 196729013 tox21-ror-cho-viability-p1 set3 4 2.58744244 -4.62074171 -1.69207336 2.16368838 -1.75942427 5.19503843 -0.35415922 6.56296202 8.85302718 6.62262411 1.25294696 0.24033221 -2.67313603 4.82216001 3.92593308 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00258240-01 196729407 tox21-ror-cho-viability-p1 set3 4 1.63990653 8.32892632 -12.01168771 -0.37284457 -1.42127994 -1.86349391 -4.92399867 -3.09680314 -24.55978031 -20.23085765 -0.80487431 -14.70722102 -7.38266166 -0.16562539 -3.59363435 1.1699999999E-9 2.617E-9 5.851E-9 1.3079999999E-8 2.926E-8 6.542E-8 1.463E-7 3.271E-7 7.314E-7 0.000001635 0.000003657 0.000008177 0.00001828 0.000040889999999 0.00009142 118-08-1 197835 144207884 A A Hydrastine CN2CCc1cc5OCOc5cc1[C@@H]2[C@H]4OC(=O)c3c(OC)c(ccc34)OC Tox21_200686 -NCGC00258411-01 196729414 tox21-ror-cho-viability-p1 set3 4 -1.44035293 -1.85620727 -2.8616781 -2.82990148 -3.16637087 -2.85389491 1.60288532 2.14893766 2.77559055 5.25198664 -0.69006768 0.91741511 3.08828079 2.67006272 1.79602518 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.613E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.00001848 0.00004133 0.00009242 630-10-4 6327594 144208055 A Selenourea NC(N)=[Se] Tox21_200857 -NCGC00024623-04 196726328 tox21-ror-cho-viability-p1 set3 4 -3.25716357 -1.65991253 0.11112252 1.84353299 -7.96465207 2.83416857 -8.66726204 3.65518564 -4.20954686 0.00788331 -1.24974839 -8.31742167 -0.45088746 -0.59959095 -3.58561666 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1229-29-4 6419921 170465413 I Doxepin hydrochloride Cl.CN(C)CC\C=C1\c3ccccc3OCc2ccccc12 Tox21_110130_1 -NCGC00094646-04 196725899 tox21-ror-cho-viability-p1 set3 4 0.084126743 -4.3068988279 1 -3.3068988279 4.9549173134 0.3316478851 0.3553979174 -0.83872657 -2.01754093 2.54707069 -1.2064942 6.69221179 0.70930465 0.00226709 -5.7778358 -2.9394412 -8.17241569 0.75721433 -0.2380255 -4.06972542 -1.50990251 -0.22489679 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 132-65-0 3023 170465511 F Dibenzothiophene c1cccc2sc3ccccc3c12 Tox21_111308_1 -NCGC00257738-01 196701602 tox21-ror-cho-viability-p1 set1 4 17.1063602824 10.4370774839 -0.4370774839 10 0.7999999999 0.5872655377 0.1074309981 4.36239985 3.11932446 -3.64313663 -3.69756457 -2.93536554 -3.45106286 0.56034226 1.82871999 0.93196882 0.42115172 1.76618998 3.71091408 4.53216127 5.94369222 8.18982042 1.173E-9 2.6229999999E-9 5.865E-9 1.311E-8 2.9319999999E-8 6.557E-8 1.466E-7 3.279E-7 7.3309999999E-7 0.0000016389999999 0.0000036659999999 0.000008197 0.00001833 0.00004098 0.00009164 106-63-8 7819 144207382 FNS Isobutyl acrylate C=CC(=O)OCC(C)C Tox21_200184 -NCGC00255998-01 196701189 tox21-ror-cho-viability-p1 set1 4 0.13636204 -3.8023181 -9.23159062 0.47218232 -0.92610368 7.56909822 -5.28850037 0.51356776 -1.56871335 -1.81690537 -4.1107195 1.38932714 0.96645705 -1.15192236 5.06159544 1.2149999999E-9 2.716E-9 6.073E-9 1.358E-8 3.036E-8 6.789E-8 1.518E-7 3.395E-7 7.591E-7 0.000001697 0.0000037949999999 0.000008487 0.00001898 0.00004243 0.000094879999999 1515-72-6 73812 144212278 A A 2-Butyl-1H-isoindole-1,3(2H)-dione O=C2c1ccccc1C(=O)N2CCCC Tox21_301961 -NCGC00257676-01 196701590 tox21-ror-cho-viability-p1 set1 4 -0.29531866 -1.45928049 4.26067164 -3.40560485 1.84352437 1.78370967 2.9947452 -4.64872113 -0.90965077 1.32011723 -8.63653706 6.17348324 4.91627134 -1.99860673 9.74598948 1.194E-9 2.671E-9 5.9709999999E-9 1.335E-8 2.986E-8 6.676E-8 1.493E-7 3.338E-7 7.464E-7 0.000001669 0.000003732 0.000008345 0.00001866 0.000041729999999 0.000093299999999 50-02-2 5743 144207320 A A Dexamethasone OCC(=O)[C@@]4(O)[C@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_200122 -NCGC00258406-01 196701600 tox21-ror-cho-viability-p1 set1 4 -2.83176532 1.26858765 0.92462143 -3.43007894 6.12661568 4.28789451 -0.15754642 0.61557591 4.3628057 3.2250564 3.80236851 1.04161782 1.19174139 5.91833327 4.09412053 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.00009229 5437-38-7 21575 144208050 A A 3-Methyl-2-nitrobenzoic acid O=[N+]([O-])c1c(C)cccc1C(=O)O Tox21_200852 -NCGC00163927-04 196701603 tox21-ror-cho-viability-p1 set1 4 7.60329251 0.86666719 3.62826449 5.94679588 2.51041683 3.38409551 4.01492335 6.27757503 0.25083347 1.48549374 6.31594202 -0.05540542 -0.55673453 0.96919079 4.14657309 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00257857-01 196702016 tox21-ror-cho-viability-p1 set1 4 1.81829813 -1.36479382 0.71503488 0.62838478 9.71162995 -3.15575532 -0.61258936 0.89932216 -1.33044876 2.92201641 1.00135366 -1.87864458 -2.8861282 -2.66250684 0.22848758 1.183E-9 2.644E-9 5.913E-9 1.322E-8 2.9559999999E-8 6.611E-8 1.4779999999E-7 3.305E-7 7.3909999999E-7 0.0000016529999999 0.0000036949999999 0.000008263 0.00001848 0.00004132 0.00009239 20702-77-6 30231 144207501 A A Neohesperidin dihydrochalcone COc1ccc(cc1O)CCC(=O)c2c(O)cc(cc2O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O Tox21_200303 -NCGC00258202-01 196702419 tox21-ror-cho-viability-p1 set1 4 30.8872845316 8.949883224 0.050116776 9 4.9549173134 0.4990994327 0.1990536242 5.36325369 0.60329258 -0.13234497 0.14629972 -4.95823602 -0.95980794 0.39241303 -0.44463258 0.80258282 -1.24515516 -0.55378666 0.29400985 -0.40467941 7.93979563 -1.570412 1.188E-9 2.657E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.641E-8 1.4849999999E-7 3.321E-7 7.425E-7 0.0000016599999999 0.000003713 0.000008302 0.00001856 0.000041509999999 0.00009282 331-39-5 2518 144207846 A A Caffeic acid Oc1ccc(C=CC(=O)O)cc1O Tox21_200648 -NCGC00257592-01 196702428 tox21-ror-cho-viability-p1 set1 4 54.1504058934 13.8937725959 -7.3937725959 6.5 4.9549173134 0.3343731074 0.3351084871 -5.99996497 0.87403849 -10.56912255 -1.16518185 -16.57814383 -6.41957811 -8.98449004 -13.21411918 -0.73969888 -11.87339734 -9.85158179 -4.34766437 -9.05633488 -4.62950707 5.52656504 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 4016-14-2 19920 144207236 AC F Isopropyl glycidyl ether CC(C)OCC1CO1 Tox21_200038 -NCGC00258308-01 196702838 tox21-ror-cho-viability-p1 set1 4 6.11485045 0.49766583 -2.67936363 -0.65056037 1.83444103 -2.1389283 -0.51098123 2.66187104 0.98162087 0.52826908 2.11787047 2.60923105 -1.64901543 0.22144924 3.78832566 1.194E-9 2.6689999999E-9 5.969E-9 1.335E-8 2.9839999999E-8 6.6729999999E-8 1.4919999999E-7 3.337E-7 7.4609999999E-7 0.000001668 0.00000373 0.0000083409999999 0.00001865 0.00004171 0.00009326 122-80-5 31230 144207952 A A 4-Aminoacetanilide O=C(C)Nc1ccc(N)cc1 Tox21_200754 -NCGC00254114-01 196699118 tox21-ror-cho-viability-p1 set1 4 27.3060203028 -16.5609167 -0.5 -17.0609167 1.24751 0.7768443925 0.0125738479 -1.76081566 -3.87840634 -1.05747403 -0.23072238 -1.51344381 -2.79834481 1.92777602 0.58506727 2.56358111 -0.3815703 -2.83317199 -1.96114773 -10.45863614 -6.93091386 -15.88409725 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51-28-5 1493 144210350 A A 2,4-Dinitrophenol O=[N+]([O-])c1cc(ccc1O)[N+]([O-])=O Tox21_300030 -NCGC00163953-03 196698301 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -51.5216281828 -3.0169485259 -54.5385767087 4.4494702849 0.9353344203 0.000033802 -4.00845875 -3.81517844 -6.04068335 -2.63995849 -6.38048439 -1.90884566 -4.60965732 -1.30840834 -7.70443514 1.57965442 0.26636477 1.54957391 -4.63909538 -8.03840611 -43.58983084 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00254547-01 196698706 tox21-ror-cho-viability-p1 set1 4 -2.84735348 -1.29333652 0.61740946 -0.66208887 1.21713596 0.51028953 1.78644202 -0.36641257 0.40550261 -5.45703589 -1.69422709 -1.99661047 -5.30452637 -3.88758903 -2.00444348 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67-20-9 4509 144210919 A Fc Nitrofurantoin O=[N+]([O-])c2ccc(/C=N/N1CC(=O)NC1=O)o2 Tox21_300602 -NCGC00254495-01 196699366 tox21-ror-cho-viability-p1 set1 4 27.3060203028 -19.484223628 -0.5 -19.984223628 1.0999999999 0.9485348367 0.0000099771 0.4855109 -0.69075428 -2.78829995 -0.14173973 -0.84638216 -0.11103466 0.62011923 0.52724123 1.45958487 -2.56987837 -3.27268221 -3.95658431 -8.03798571 -11.41305389 -16.65351969 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13311-84-7 3397 144210854 A A Flutamide O=C(Nc1cc(c(cc1)[N+]([O-])=O)C(F)(F)F)C(C)C Tox21_300536 -NCGC00254118-01 196698942 tox21-ror-cho-viability-p1 set1 4 2.3797871 3.2917912 2.90000842 0.4508088 4.71829748 0.25522815 0.12501407 2.31393296 -2.32772169 -1.62518561 -0.0091957 1.26837458 -2.17263606 3.23443551 -1.39561283 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 95-63-6 7247 144210369 FNS 1,2,4-Trimethylbenzene Cc1cc(C)c(C)cc1 Tox21_300049 -NCGC00090776-02 196698943 tox21-ror-cho-viability-p1 set1 4 0.16184563 4.37199871 -1.15380942 1.21290164 0.19264759 -2.87399908 -0.30794125 -0.09534185 5.05610264 0.2477735 4.04174683 5.63241261 0.10289703 4.968095 1.17541492 1.164E-9 2.6039999999E-9 5.822E-9 1.302E-8 2.911E-8 6.509E-8 1.4549999999E-7 3.255E-7 7.2769999999E-7 0.0000016269999999 0.000003639 0.000008136 0.00001819 0.00004068 0.000090969999999 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00255046-01 196699353 tox21-ror-cho-viability-p1 set1 4 1.8476928 2.82903068 8.10785057 0.4486873 -0.13475408 0.71265825 0.36784675 2.22773885 3.08621747 0.84782822 -0.66192106 0.01238428 1.72098742 0.92450916 0.10653008 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111406-87-2 60490 144211465 A B Zileuton NC(=O)N(O)C(C)c1cc2ccccc2s1 Tox21_301148 -NCGC00254149-01 196699369 tox21-ror-cho-viability-p1 set1 4 -1.14449693 -1.13503694 -0.11494548 -2.26795248 1.2171283 -0.92997962 0.02961857 3.32947629 -1.2416961 0.02662253 -1.84196867 2.78817789 3.75947742 0.57271662 -1.43292025 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-16-3 6582 144210512 A A N-Methylacetamide CC(=O)NC Tox21_300192 -NCGC00254618-01 196699777 tox21-ror-cho-viability-p1 set1 4 2.4069895 3.65078309 2.34869338 0.31577996 0.16515901 -0.31266812 7.35522616 -4.23354615 -1.03681273 -0.36455471 1.61215454 -1.30823622 3.09831459 -1.16967161 -2.54549405 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7540-51-4 7793 144211028 A A (S)-(-)-beta-Citronellol C\C(C)=C\CC[C@H](C)CCO Tox21_300711 -NCGC00254825-01 196699787 tox21-ror-cho-viability-p1 set1 4 -1.48515825 -9.15417222 -4.5479466 -4.48576776 -4.1346163 -2.46168604 -0.8693534 0.6775859 -2.78824675 -1.64924377 -4.66778802 -3.150736 -2.15207094 -3.02996924 0.51104186 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141112-29-0 84098 144211240 A Ac Isoxaflutole O=C(c2cnoc2C1CC1)c3ccc(cc3S(C)(=O)=O)C(F)(F)F Tox21_300923 -NCGC00091011-05 196700182 tox21-ror-cho-viability-p1 set1 4 19.3311819617 9.2418251559 -2.7418251559 6.5 4.9549173134 0.5487525053 0.1372904716 1.54539214 -8.11818763 -4.60009388 -0.49757097 -1.72885431 -0.47197671 1.49430283 -0.43141193 -7.62591847 -2.05004682 -6.37527958 -4.05973306 1.7905536 6.28110648 6.43287227 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00260648-01 196723871 tox21-ror-cho-viability-p1 set3 4 0.8412674301 -4.3501602079 2.5 -1.8501602079 1.692447691 0.3333867366 0.3557273543 1.26416053 0.79699675 -2.12615821 7.85760642 -0.26981767 4.08742387 3.66321256 3.64541556 0.5715818 0.20092542 -0.23269512 -1.29621777 -3.20846684 -0.5042494 1.29895329 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49544 144210301 M M NTP Mix89 ER AR1 18-EQP Tox21_203103 -NCGC00015508-16 196723470 tox21-ror-cho-viability-p1 set3 4 23.7101376556 32.496799724 1.503200276 34 0.6 0.5563682774 0.1301048386 3.90779796 -0.19821357 1.73178096 1.49168728 4.47749042 1.09829577 0.25333978 -1.66399977 0.16514788 14.61442482 14.93551307 2.08143042 17.27938017 5.98082268 28.85936235 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-93-5 3639 170465005 A Hydrochlorothiazide NS(=O)(=O)c2cc1c(NCNS1(=O)=O)cc2Cl Tox21_110165_1 -NCGC00018221-08 196723867 tox21-ror-cho-viability-p1 set3 4 0.1554288045 5.293810756 -4.293810756 1 4.9549173134 0.5162722451 0.1821874157 -6.65566571 -3.3948313 1.61956138 -8.57817563 -5.11975896 -3.58471939 -2.20022488 3.32392337 2.44490479 1.04939565 0.60077468 -3.19631667 2.32346318 1.09248624 -7.61933853 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.331E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00260587-01 196723868 tox21-ror-cho-viability-p1 set3 4 0.0133331902 19.375666884 -10.875666884 8.5 0.3 0.615607461 0.0863083683 -6.87942668 -3.53090591 -0.7207042 -7.39638907 1.52543575 2.19782242 2.96488293 1.66547183 2.70918627 0.14017887 10.79144632 1.47667855 2.22848469 6.7304417 11.0085312 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49483 144210240 M M NTP Mix36 CT1 2-EQP Tox21_203042 -NCGC00258691-01 196730256 tox21-ror-cho-viability-p1 set3 4 0.34217303 6.00423498 2.46630682 -0.71010269 -0.32135946 -0.02290814 0.34741005 -1.03375928 -0.75430162 0.70633042 0.45954673 -1.24878422 -1.62671128 1.2983375 -0.23676883 1.196E-9 2.674E-9 5.9789999999E-9 1.337E-8 2.9899999999E-8 6.685E-8 1.4949999999E-7 3.3429999999E-7 7.4739999999E-7 0.000001671 0.000003737 0.000008357 0.00001869 0.000041779999999 0.00009343 6864-37-5 91555 144208337 I Ac 4,4'-Methylenebis(2-methylcyclohexanamine) CC2CC(CC1CCC(N)C(C)C1)CCC2N Tox21_201139 -NCGC00254578-01 196715239 tox21-ror-cho-viability-p1 set2 4 24.3365162115 12.4050287199 -8.4050287199 4 4.9549173134 0.6283331306 0.0778375037 -11.03788619 -8.5583091 -9.42943229 -13.17488478 -6.18164944 -7.31247748 -3.79587902 -13.2541906 -3.06590456 -4.57092535 -12.46057334 -8.76586121 -5.71213822 3.80007229 2.97320681 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-70-5 7617 144210987 FC Triallylamine C=CCN(CC=C)CC=C Tox21_300670 -NCGC00254892-01 196714835 tox21-ror-cho-viability-p1 set2 -2.2 10.8375660046 -37.9539301053 -2 -39.9539301053 1.0999999999 0.9431063178 0.0000392473 0.53519259 -4.27269554 -4.24114754 -3.70390287 -1.39322385 -2.11887185 -1.09437159 -3.50708381 0.03730553 -9.90142492 -8.15018701 -21.22628123 -23.04101404 -35.04730711 -17.11616621 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 533-74-4 10788 144211307 A A Dazomet S=C1SCN(C)CN1C Tox21_300990 -NCGC00254007-01 196714840 tox21-ror-cho-viability-p1 set2 4 0.7883486 -3.53177689 0.28446173 -1.23800316 -2.2993594 -5.72333701 -7.00016549 -5.68115724 -5.58143779 -2.08883487 -6.59522821 -1.64926468 0.45066326 -2.31010587 1.32702181 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 127-07-1 3657 144210638 A Hydroxyurea NC(=O)NO Tox21_300319 -NCGC00254994-01 196715233 tox21-ror-cho-viability-p1 set2 4 34.3762428541 -19.695416624 1.5 -18.195416624 4.0949729863 0.9262069928 0.0000683524 1.93241578 0.57769515 3.92395735 4.27001895 -0.23936342 -0.37746102 4.15550532 -0.97209066 2.08328062 2.87114944 1.30361933 2.29244539 -1.48588622 -11.45344831 -18.49618052 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68157-60-8 93379 144211411 A A Forchlorfenuron Clc2cc(NC(=O)Nc1ccccc1)ccn2 Tox21_301094 -NCGC00254256-01 196715244 tox21-ror-cho-viability-p1 set2 4 -8.80530881 0.62909942 0.50294942 -3.62780609 -8.73455115 -8.31991811 1.43070757 -5.3017562 -8.67409152 1.37591486 -3.85295942 -4.92546615 -5.02560281 1.85482393 2.74401976 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-44-4 8115 144210832 A Bis(2-chloroethyl) ether ClCCOCCCl Tox21_300514 -NCGC00254735-01 196715247 tox21-ror-cho-viability-p1 set2 4 -0.18685521 0.17421924 0.58756193 0.00250306 -0.00412907 -0.2388851 0.41769303 0.3548336 1.67976272 2.86259185 0.61396055 1.33711495 2.93852456 2.17802899 2.05790231 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 5902-51-2 22188 144211148 A A Terbacil O=C1NC(C)=C(Cl)C(=O)N1C(C)(C)C Tox21_300831 -NCGC00254967-01 196715251 tox21-ror-cho-viability-p1 set2 4 2.21536728 2.07012171 1.29017385 2.0999576 -0.811854 2.18314707 0.18250863 -0.69430103 1.40357298 -0.37206147 1.60363279 4.09954238 3.06055383 -1.27899767 0.7453157 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24310-41-6 90462 144211382 F F 3-(Chloromethyl)-1,2,3-benzotriazin-4(3H)-one O=C1c2ccccc2N=NN1CCl Tox21_301065 -NCGC00258832-01 196705703 tox21-ror-cho-viability-p1 set1 4 0.53707911 8.617422236 -10.617422236 -2 4.9549173134 0.426211683 0.2468201623 -18.01451853 -3.43216584 -9.25956868 -14.84483766 -6.3449298 -12.58255459 -5.32407608 -15.7210922 0.13518438 -3.0589222 0.82164655 -6.69464267 -9.95834818 2.05895012 1.88067534 1.166E-9 2.6069999999E-9 5.83E-9 1.304E-8 2.9149999999E-8 6.518E-8 1.458E-7 3.259E-7 7.288E-7 0.0000016299999999 0.0000036439999999 0.0000081479999999 0.00001822 0.00004074 0.000091099999999 92-15-9 7078 144208478 A B N-(2-Methoxyphenyl)-3-oxobutanamide COc1ccccc1NC(=O)CC(C)=O Tox21_201280 -NCGC00023699-09 196704449 tox21-ror-cho-viability-p1 set1 4 0.0006682425 11.775119236 -11.275119236 0.5 4.9549173134 0.6005196072 0.098895188 -7.72926603 1.36582477 0.30753764 -2.28882046 -3.0258398 -0.8865476 1.02204149 -0.62397776 1.51672885 2.45788376 -0.07571039 1.16496797 1.59027126 1.1240958 3.5392924 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 153-61-7 6024 170465101 F Cephalothin O=C(O)C=2N3C(=O)[C@@H](NC(=O)Cc1cccs1)[C@H]3SCC=2COC(C)=O Tox21_111579_1 -NCGC00091533-10 196704864 tox21-ror-cho-viability-p1 set1 4 23.7101376556 -13.7534002239 -2 -15.7534002239 2.3331733767 0.6533129163 0.0628561464 -6.79852106 -0.84690753 -1.25185068 -5.35026781 2.42576381 -1.85081324 -3.15694618 -2.77434258 0.05602971 -3.15798221 -2.9067658 -1.58208075 -0.62924149 -8.70047566 -13.12783352 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-63-6 5991 170464983 A Ethinylestradiol Oc3cc4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@@]1(O)C#C)c4cc3 Tox21_111147_1 -NCGC00018250-06 196704875 tox21-ror-cho-viability-p1 set1 4 29.8492948118 -18.135546664 -2 -20.135546664 4.4494702849 0.7095016988 0.0342972449 -5.59238386 -3.98312847 -2.2318414 -4.41371111 -0.97630333 -2.83170725 -1.16316935 -4.08643982 -5.14219702 -2.43200624 -7.44682562 0.16716207 0.25348302 -4.95206242 -18.02962222 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61318-91-0 65495 170465344 A Sulconazole nitrate [O-][N+](=O)O.Clc3ccc(C(SCc1ccc(Cl)cc1)Cn2ccnc2)c(Cl)c3 Tox21_110671_1 -NCGC00259288-01 196705711 tox21-ror-cho-viability-p1 set1 4 0.01453561 4.80229763 -2.98075132 2.47121928 2.94164294 0.01368247 0.02282876 0.33389785 6.04825521 8.69115354 0.53425399 2.16199162 2.61010196 1.73638265 0.00805583 1.1689999999E-9 2.6129999999E-9 5.844E-9 1.3069999999E-8 2.922E-8 6.5339999999E-8 1.461E-7 3.267E-7 7.305E-7 0.0000016329999999 0.000003652 0.000008167 0.00001826 0.000040829999999 0.000091309999999 2530-85-0 17318 144208937 D 3-(Trimethoxysilyl)propyl methacrylate CO[Si](CCCOC(=O)C(=C)C)(OC)OC Tox21_201739 -NCGC00091585-05 196705523 tox21-ror-cho-viability-p1 set1 4 1.16089387 -0.46947161 1.14628382 0.54874312 0.75880145 0.79246405 1.65687039 1.00945142 0.73447269 0.87352694 1.49957527 3.46828469 -0.57063303 -5.45901104 0.58908049 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6197-30-4 22571 170464719 A Octocrylene CCC(CCCC)COC(=O)C(\C#N)=C(\c1ccccc1)c2ccccc2 Tox21_111153_1 -NCGC00091483-03 196705513 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -35.882209528 1.5 -34.382209528 4.9549173134 0.9664002062 9.271E-7 -0.59385138 0.64702515 3.15399081 2.04255773 0.35673608 3.38009105 0.81093256 1.86466266 2.26301053 -0.39377494 0.57152731 0.61112191 -0.47629327 0.78124725 -27.81850794 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00259249-01 196705931 tox21-ror-cho-viability-p1 set1 4 2.93285516 -0.88279225 0.91593158 2.95719308 4.20026197 0.11607052 2.4045657 1.15441447 -2.4811785 15.84545299 1.50499154 -0.55342629 3.09291113 -2.18031363 3.3948519 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004127 0.00009229 81-90-3 66494 144208898 A A Phenolphthalin Oc1ccc(cc1)C(c2ccccc2C(=O)O)c3ccc(O)cc3 Tox21_201700 -NCGC00258959-01 196705940 tox21-ror-cho-viability-p1 set1 4 3.73393287 3.59047621 -40.24540592 0.3649904 4.17496979 -1.36399551 -1.70912719 4.49660655 2.15754235 17.87744492 2.84984271 0.75056326 2.23306573 2.93304753 3.60501511 1.234E-9 2.7599999999E-9 6.172E-9 1.38E-8 3.086E-8 6.901E-8 1.543E-7 3.45E-7 7.7149999999E-7 0.000001725 0.000003858 0.0000086259999999 0.00001929 0.00004313 0.000096439999999 106-43-4 7810 144208606 AC D 4-Chlorotoluene Cc1ccc(Cl)cc1 Tox21_201408 -NCGC00259483-01 196705942 tox21-ror-cho-viability-p1 set1 4 0.0059703533 12.19560638 -14.19560638 -2 0.4 0.4785580502 0.216542241 -10.99633865 -9.44887007 -5.77410761 -5.7863929 -9.03248038 -3.86113091 -7.12973655 -3.77614369 -3.4105559 -1.64512621 -3.20856139 0.62274644 -9.34213857 0.92985181 -7.63653056 1.157E-9 2.587E-9 5.784E-9 1.293E-8 2.892E-8 6.467E-8 1.446E-7 3.2329999999E-7 7.2299999999E-7 0.000001617 0.000003615 0.000008083 0.000018069999999 0.00004042 0.00009037 78-48-8 5125 144209132 A A Tribufos CCCCSP(=O)(SCCCC)SCCCC Tox21_201934 -NCGC00356979-01 196703046 tox21-ror-cho-viability-p1 set1 4 54.4826732819 6.016731412 -1.516731412 4.5 3.9899729863 0.3687576974 0.3079215193 0.96819752 -3.65921416 -2.22860937 -3.8710509 0.34603866 -6.68060951 0.55154029 -1.76933455 -2.02202065 -0.61121689 -0.74865387 -0.46949759 -2.36558994 0.07959299 3.9499245 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 611-14-3 11903 251919830 Fns 1-Ethyl-2-methylbenzene Cc1ccccc1CC Tox21_303797 -NCGC00258398-01 196702228 tox21-ror-cho-viability-p1 set1 4 2.69304258 2.36732788 1.69729168 4.01202542 4.80536027 0.39791411 -0.338993 3.82994469 8.11435109 4.79915696 0.42321514 0.79943218 2.81201949 1.38483453 6.92444503 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 1572-52-7 74080 144208042 A A 2-Methylenepentanedinitrile N#CC(=C)CCC#N Tox21_200844 -NCGC00257845-01 196702231 tox21-ror-cho-viability-p1 set1 -2.2 54.371879846 -44.8427612656 -0.57069671 -45.4134579756 1.8616924601 0.9215353989 0.0000936295 3.49204613 -0.20741304 -2.30410743 -1.39551516 6.30283227 1.08071628 -3.60584255 0.00838061 -2.93861019 0.1218677 -3.55548915 -4.44054177 -6.23193754 -15.91295627 -34.40413483 1.1779999999E-9 2.635E-9 5.891E-9 1.3169999999E-8 2.9459999999E-8 6.587E-8 1.4729999999E-7 3.2929999999E-7 7.364E-7 0.0000016469999999 0.0000036819999999 0.000008233 0.000018409999999 0.00004117 0.000092049999999 130-26-7 2788 144207489 A A Clioquinol Oc1c(I)cc(Cl)c2cccnc12 Tox21_200291 -NCGC00260019-01 196703042 tox21-ror-cho-viability-p1 set1 4 -1.13938631 3.55886909 -0.03445455 3.90570696 0.98421291 -2.36982508 -3.57438224 0.67704203 0.40670889 -4.17651262 1.30659755 -1.3945672 -0.82289095 -1.93210039 0.99583568 5.736E-10 1.283E-9 2.8679999999E-9 6.413E-9 1.434E-8 3.206E-8 7.17E-8 1.603E-7 3.585E-7 8.016E-7 0.000001792 0.0000040079999999 0.000008962 0.000020039999999 0.00004481 35065-27-1 37034 144209668 A A 2,2',4,4',5,5'-Hexachlorobiphenyl Clc2cc(c1cc(Cl)c(Cl)cc1Cl)c(Cl)cc2Cl Tox21_202470 -NCGC00260274-01 196703052 tox21-ror-cho-viability-p1 set1 4 1.03568793 0.39337898 1.92834829 -2.23957865 -0.68455475 -2.81837989 2.55546952 1.65784097 0.46669691 -1.73727342 0.03852323 1.50533839 -1.39055178 2.38158304 1.10316232 1.2899999999E-9 2.885E-9 6.451E-9 1.443E-8 3.2259999999E-8 7.213E-8 1.613E-7 3.6059999999E-7 8.064E-7 0.000001803 0.000004032 0.000009016 0.00002016 0.000045079999999 0.0001008 103-30-0 638088 144209924 A A trans-Stilbene C(=C/c1ccccc1)\c2ccccc2 Tox21_202726 -NCGC00260664-01 196703053 tox21-ror-cho-viability-p1 set1 4 -0.48240639 5.5167762 0.31184726 0.30774237 5.47996271 0.92269938 3.69860548 -1.06855417 5.68610225 4.39649658 9.63092456 0.33731871 -1.17943796 0.02672053 -2.93453677 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49560 144210317 M M NTP Mix29 AR2 5-EQP-HF Tox21_203119 -NCGC00260050-01 196703457 tox21-ror-cho-viability-p1 set1 -2.4 27.4727179077 -31.823341472 0.5 -31.323341472 0.7999999999 0.887181077 0.0005863836 -0.88105555 -0.7926598 0.42471848 0.08192721 0.38548598 3.09110869 -3.79342206 3.22002778 -0.25589845 -0.78601676 -6.23312649 -11.91262762 -11.35791564 -12.79768426 -26.10278456 1.1859999999E-9 2.651E-9 5.928E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009262 10026-24-1 61444 144209699 Cobalt sulfate heptahydrate O.O.O.O.[Co+2].O.O.O.[O-]S([O-])(=O)=O Tox21_202501 -NCGC00260313-01 196703466 tox21-ror-cho-viability-p1 set1 4 -1.00077066 -1.17487752 -0.40178904 1.99871959 1.04862268 -1.06952931 -1.89280746 -1.33713547 -2.22535661 -2.89754305 1.10858031 -0.15783689 -1.33517221 1.30770326 -6.47528573 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008241 0.000018429999999 0.00004121 0.00009214 68937-41-7 75628 144209964 F F Triisopropylated phenyl phosphate CC(C)c1ccc(cc1)OP(=O)(Oc2ccc(cc2)C(C)C)Oc3ccc(cc3)C(C)C Tox21_202766 -NCGC00016000-13 196729178 tox21-ror-cho-viability-p1 set3 -2.1 31.355862613 -116.2868432007 2.5365058539 -113.7503373468 0.4 0.8889268892 0.0005406346 -1.54381706 -5.28873151 -1.40471312 -1.37352637 -0.31458577 -0.64196391 -3.13856166 -12.25607544 -25.40196239 -33.58953308 -37.71608519 -39.3524397 -43.3186582 -41.41343224 -86.17449799 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00256376-01 196707988 tox21-ror-cho-viability-p1 set1 4 0.0611305649 -6.346165592 -12.21579578 -18.561961372 4.9549173134 0.5236191727 0.1587904078 -17.32072521 -15.30538607 -9.18220709 -11.43185632 -8.51316315 -16.49757988 -19.04534052 -21.4337644 -15.26167415 -18.77897752 -23.38496781 -18.62368428 -17.6221806 -16.16550655 -16.90223283 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 65-45-2 5147 144213118 A A Salicylamide O=C(N)c1ccccc1O Tox21_302801 -NCGC00257252-01 196707990 tox21-ror-cho-viability-p1 set1 -2.1 54.4826732819 -86.3053507386 -2.7117870909 -89.0171378295 2.4063783767 0.9716339238 3.53E-7 1.27140869 -5.82427028 -4.77161407 -0.89223033 -1.78772642 -10.77553087 -4.85071781 -0.89662534 2.02913013 -1.06089576 -0.28592016 -3.51842101 -8.84709105 -32.17320845 -70.08874078 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17796-82-6 28777 144213901 A C N-(Cyclohexylthio)phthalimide O=C3c1ccccc1C(=O)N3SC2CCCCC2 Tox21_303596 -NCGC00256771-01 196707993 tox21-ror-cho-viability-p1 set1 4 -0.16936359 -2.82385367 2.87685523 0.76477573 -2.31357241 3.75229542 1.68663264 5.67951037 4.86510147 5.09792243 -2.89027248 -2.1543361 -1.73173871 5.84920416 0.73620127 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 28940-11-6 120101 144213000 A F 7-Methyl-2H-1,5-benzodioxepin-3(4H)-one Cc1cc2OCC(=O)COc2cc1 Tox21_302683 -NCGC00091088-05 196728770 tox21-ror-cho-viability-p1 set3 4 1.5355303643 -3.5484555279 2 -1.5484555279 3.1319983358 0.362191419 0.312662023 0 6.04927512 1.19861602 4.61832271 -0.44913911 0.14979635 4.32218051 -0.9518789 3.89283824 -1.09418084 -0.09359146 -4.62371294 -0.62606175 -1.4837851 0 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00255601-01 196728776 tox21-ror-cho-viability-p1 set3 4 48.5577336745 -22.6092725799 11.5 -11.1092725799 3.5117481694 0.3793446718 0.2912317538 1.55688141 26.2030468 16.4482097 25.21817236 9.62900797 5.67558557 6.94996253 10.76728622 4.25640703 15.98661436 8.81350477 4.61969032 14.3468527 3.23163338 -9.25772715 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2433-14-9 75518 144212080 A A 4-Cyclohexylcyclohexanol OC1CCC(CC1)C2CCCCC2 Tox21_301763 -NCGC00090686-07 196729175 tox21-ror-cho-viability-p1 set3 4 -7.72607787 3.55034983 -0.25176204 -0.46528512 -0.77110643 -3.72947343 1.37354333 -3.07277093 -2.78384161 0.77791881 -1.55376443 -6.53600639 -5.17387089 -5.05508506 -1.97074678 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00255182-01 196729179 tox21-ror-cho-viability-p1 set3 4 -4.93178613 7.3418299 -1.65120164 -3.22094214 1.88525978 3.88194204 3.38457949 1.41633714 4.67812092 3.43828868 -1.36155683 -1.37136757 -0.83473459 -4.03772884 -2.90668363 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 35400-43-2 37125 144211675 A A Sulprofos CSc1ccc(OP(=S)(OCC)SCCC)cc1 Tox21_301358 -NCGC00016000-13 196729602 tox21-ror-cho-viability-p1 set3 -2.3 22.1982507526 -124.2681597549 5.2846304134 -118.9835293415 0.4 0.8434238556 0.244295366 2.91387066 4.00749657 -1.91265143 3.88725367 3.44801759 4.16835435 -14.69380897 -26.06239025 -37.72876872 -32.68599439 -34.3405804 -28.18736705 -39.33455227 -1.21751516 -90.13903738 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00258598-01 196729605 tox21-ror-cho-viability-p1 set3 4 1.10961371 -0.5543826 1.05916378 1.2013266 0.82738492 4.70963491 0.75600859 0.79265285 2.208616 2.40712266 0.45241099 1.13526848 0.22161998 0.17758864 0.42932684 1.159E-9 2.592E-9 5.797E-9 1.2959999999E-8 2.898E-8 6.481E-8 1.449E-7 3.241E-7 7.246E-7 0.00000162 0.000003623 0.000008101 0.00001812 0.00004051 0.000090579999999 7757-82-6 24436 144208243 Sodium sulfate anyhdrous [Na+].[Na+].[O-]S([O-])(=O)=O Tox21_201045 -NCGC00258464-01 196729608 tox21-ror-cho-viability-p1 set3 4 0.5945028576 -7.539918468 -1 -8.539918468 4.9549173134 0.3278533379 0.3563356396 -1.61281048 0.76567514 -3.61502411 -3.40642837 -0.8030672 1.41208858 -1.28924285 -0.24609714 -6.78806395 -21.28326539 0 -1.56482986 -4.77455558 -15.94964079 -6.44559577 1.2689999999E-9 2.8379999999E-9 6.345E-9 1.4189999999E-8 3.173E-8 7.094E-8 1.5859999999E-7 3.547E-7 7.931E-7 0.0000017739999999 0.000003966 0.000008868 0.000019829999999 0.00004434 0.000099139999999 935-95-5 13636 144208108 A A 2,3,5,6-Tetrachlorophenol Oc1c(Cl)c(Cl)cc(Cl)c1Cl Tox21_200910 -NCGC00254995-01 196719802 tox21-ror-cho-viability-p1 set3 4 0.72626756 1.35503671 4.8351061 -1.24399928 -9.02056854 0.90357249 -1.45702863 -8.84842501 1.43800615 1.52377941 2.79274175 -0.79110765 -0.88681744 0.13466828 -2.88799678 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 706-14-9 12813 144211412 A A gamma-Decanolactone O=C1CCC(CCCCCC)O1 Tox21_301095 -NCGC00259467-01 196721006 tox21-ror-cho-viability-p1 set3 4 28.141189093 11.548504164 -7.048504164 4.5 4.9549173134 0.3778572549 0.2932474299 -2.42320016 -12.57832277 -3.98846205 2.34110713 -1.56061588 -10.7387487 -11.37022398 -7.40073206 -15.87375347 -3.67217277 -12.04899328 -4.09936693 -6.65585726 4.57360806 3.48688501 1.21E-9 2.707E-9 6.052E-9 1.353E-8 3.0259999999E-8 6.766E-8 1.5129999999E-7 3.3829999999E-7 7.5649999999E-7 0.0000016919999999 0.000003782 0.000008458 0.00001891 0.000042289999999 0.00009456 110-15-6 1110 144209116 A A Butanedioic acid O=C(O)CCC(=O)O Tox21_201918 -NCGC00163953-03 196721017 tox21-ror-cho-viability-p1 set3 -3 72.7253077472 -54.0345948028 2.118716544 -51.9158782588 4.9549173134 0.9259916117 0.0000689315 -2.50621051 -1.35137912 -5.70251171 1.36053897 3.10822503 1.75510608 0.92894861 5.28114801 2.42855324 6.02576574 4.30489634 5.18552992 2.92181279 -0.3917766 -41.59990338 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00259622-01 196721407 tox21-ror-cho-viability-p1 set3 4 -5.09400495 -6.18603877 -4.43182438 3.20381137 -5.27478273 -4.85920715 -7.75005188 -3.25544674 -8.36391934 -0.18274151 -2.73162779 -8.43378604 -3.28272896 -6.81879138 -7.75563226 1.193E-9 2.667E-9 5.9649999999E-9 1.3339999999E-8 2.982E-8 6.669E-8 1.491E-7 3.3339999999E-7 7.456E-7 0.0000016669999999 0.000003728 0.000008336 0.00001864 0.00004168 0.0000932 90-30-2 7013 144209271 A A N-Phenyl-1-naphthylamine c1ccc3ccccc3c1Nc2ccccc2 Tox21_202073 -NCGC00256814-01 196719384 tox21-ror-cho-viability-p1 set2 4 34.3762428541 -7.317262372 4 -3.317262372 2.3531167061 0.4097220867 0.2661007498 0.22414304 1.62323542 0.10469617 6.35966215 1.43644176 6.41750222 3.16374927 5.05237214 7.98981468 4.71382797 5.6487041 3.31427346 1.97441953 -0.02097517 -2.76438531 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-69-0 31224 144212802 A A 3-Phenyl-2-propen-1-yl 3-phenylacrylate O=C(C=Cc1ccccc1)OCC=Cc2ccccc2 Tox21_302485 -NCGC00256966-01 196719390 tox21-ror-cho-viability-p1 set2 4 0.685896219 5.0775514919 -4.5775514919 0.5 4.9549173134 0.3167690406 0.3676149689 0.8036172 -5.01588948 1.4568366 -6.11721679 -10.9912922 -2.98631053 -2.92209184 -12.98129291 -0.32690103 -1.0361221 1.24783348 3.41703607 -0.91804889 0.33099742 -6.9346294 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-82-8 8344 144213350 A A Di(2-methoxyethyl) phthalate O=C(OCCOC)c1ccccc1C(=O)OCCOC Tox21_303033 -NCGC00163906-02 196719786 tox21-ror-cho-viability-p1 set3 4 0.0216899429 -16.17444674 15 -1.17444674 0.3 0.6222091768 0.0821777381 12.43380553 11.81842095 3.86884023 4.06755386 4.65862567 8.01318941 6.12609549 6.21071812 5.13008558 -0.16908143 -0.44677334 4.92254381 -1.03822171 1.59963357 -1.81203895 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00254259-01 196719804 tox21-ror-cho-viability-p1 set3 4 0.0015355304 13.9726170279 -15.9726170279 -2 0.7999999999 0.3947184051 0.2787592635 -7.98407682 -12.06051419 -3.38424925 -0.4174218 -4.45425564 -4.2805144 -6.10119197 1.15755491 2.42884052 0.42166162 -4.9013866 -3.81869209 -5.18902915 -1.38923328 0.54983964 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6915-15-7 525 144210690 A A Malic acid O=C(O)C(O)CC(=O)O Tox21_300372 -NCGC00091163-03 196720199 tox21-ror-cho-viability-p1 set3 1.4 0.1722893406 25.184610512 -18.684610512 6.5 0.2 0.739012294 0.02310224 -10.85319791 -16.82050876 -7.89695886 -4.78756141 -7.34546396 -8.15583666 -6.22174333 -6.36285166 -4.73454007 -1.38002396 -5.0852082 -2.22711609 -3.05193831 1.48132538 3.64684872 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00254029-01 196720200 tox21-ror-cho-viability-p1 set3 4 0.0121971512 16.8588212039 -17.8588212039 -1 0.3 0.7039190621 0.0367561534 -11.43570578 -14.04901767 -9.62336019 -8.00767188 -9.01870354 -9.02085703 -2.61556374 -5.94979819 -2.70167946 -4.72730467 -4.68040524 -8.37535741 -2.78178296 0.17025192 -0.254601 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-11-4 31337 144210615 A A 2-(Hydroxymethyl)-2-nitro-1,3-propanediol O=[N+]([O-])C(CO)(CO)CO Tox21_300295 -NCGC00091086-02 196720201 tox21-ror-cho-viability-p1 set3 4 -0.96310823 3.6761289 -4.01780464 3.12782558 0.68685695 -2.09515351 -2.53767916 -1.01724934 1.91357508 6.41952942 1.15689774 -1.35930204 5.25274272 0.00338343 7.99047558 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00254533-01 196720210 tox21-ror-cho-viability-p1 set3 4 0.3857077887 17.5 14.5 32 0.8999999999 0.821209223 0.0223538184 17.70065009 10.53245698 18.13950557 15.11204444 13.85661071 14.88391753 21.5645508 24.91110401 26.80137029 24.90213854 30.55283453 12.32147705 5.41213578 -0.29855145 5.37305869 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-08-0 2955 144210875 A A Dapsone Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2 Tox21_300558 -NCGC00094990-04 196726053 tox21-ror-cho-viability-p1 set3 4 0 0 4.33138915 5.14880243 -4.92579564 -10.42803017 5.24265901 -7.92603379 -2.14714075 4.25235556 3.14042562 -9.83951739 3.06146277 4.98397617 -10.31783259 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-08-9 2005 170466424 A Acexamic acid O=C(O)CCCCCNC(C)=O Tox21_111377_1 -NCGC00090874-04 196725231 tox21-ror-cho-viability-p1 set3 4 0.001554288 -15.452613416 14 -1.452613416 4.9549173134 0.6944657983 0.0411294771 10.93951489 -0.40344962 1.84664222 1.54244563 -1.76193853 -3.22984035 -3.97446193 0.39181629 1.34010318 -2.3684911 -0.37497734 -2.75539474 -4.96051118 -4.18679466 -1.50529707 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00160442-03 196725647 tox21-ror-cho-viability-p1 set3 4 0.0237101377 5.291496144 0.708503856 6 1.0999999999 0.3243662095 0.3467152281 1.20978435 -0.09480426 3.66066041 -0.65958012 5.52748857 1.50484754 2.27674287 13.41845149 2.51187757 4.89034275 7.95263238 2.85163739 7.67431218 7.26141879 4.47614599 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 18493-30-6 71894 170466451 I Metochalcone COc2cc(ccc2C(=O)C=Cc1ccc(OC)cc1)OC Tox21_111813_1 -NCGC00159368-05 196725651 tox21-ror-cho-viability-p1 set3 4 0.12130768 0.84940265 -0.26743191 0.57146773 3.43225176 0.58106629 -2.51630177 -0.23300359 5.50976165 3.75343664 1.77650374 0.04523005 -1.87872126 3.24601208 4.30123024 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 36653-82-4 2682 170465348 F 1-Hexadecanol CCCCCCCCCCCCCCCCO Tox21_111609_1 -NCGC00025158-02 196726057 tox21-ror-cho-viability-p1 set3 4 1.02189475 1.94303523 5.86346723 7.17919153 -3.0251583 -0.85072172 -2.3303068 13.39109278 4.10938893 6.46926816 -0.07661429 -1.4188381 4.90119666 -0.38041647 -1.53781196 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1217457-81-2 56972160 170465880 A (S)-(+)-Dimethindene maleate C[C@@H](C=1c2ccccc2CC=1CCN(C)C)c3ccccn3.O=C(O)/C=C\C(=O)O Tox21_113582_1 -NCGC00094819-07 196726069 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -103.4578073951 3.0391742418 -100.4186331533 4.9549173134 0.9333423098 0.0000396183 1.7157133 1.574421 1.59958443 4.56348626 2.14532951 -4.38333283 1.44668169 1.90241382 13.21928775 -7.54126345 2.0301191 12.80331605 -2.00679052 4.69378655 -88.08652031 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 141-94-6 3607 170465729 D Hexetidine CCC(CCCC)CN1CC(C)(N)CN(CC(CCCC)CC)C1 Tox21_110424_1 -NCGC00260582-01 196711695 tox21-ror-cho-viability-p1 set2 4 -2.0796345 -1.77288929 -0.78794749 -11.19577581 -8.09803628 -30.43321965 -8.51857904 -12.38489775 -15.9746987 -13.03862234 -18.74923715 -26.539682 0 -1.9829924 -21.24920265 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49478 144210235 M M NTP Mix42 CT1 3-EQP Tox21_203037 -NCGC00254134-01 196714582 tox21-ror-cho-viability-p1 set2 -2.4 76.9588215421 -27.7693794839 -0.5 -28.2693794839 4.9549173134 0.8384664915 0.0031686519 -3.67581401 0.53872858 -1.1947548 -1.24669408 -2.43649391 -1.99734486 -1.67787969 -1.40051581 -4.28312394 -1.32943258 1.75503852 1.61440814 3.29179353 2.3412303 -21.89114957 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 72-54-8 6294 144210511 A A p,p'-DDD Clc1ccc(cc1)C(C(Cl)Cl)c2ccc(Cl)cc2 Tox21_300191 -NCGC00254554-01 196714982 tox21-ror-cho-viability-p1 set2 4 0.7695882154 7.105157456 0.394842544 7.5 0.7 0.5782083079 0.1146027453 0.38327717 2.79690164 0.15584768 0.55797075 -0.50429788 3.11497513 -0.10009183 3.40294037 7.30017669 3.53634207 1.44357721 9.16325343 9.83624173 4.84143395 6.93124536 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10024-93-8 66204 144210963 Neodymium(III) chloride Cl[Nd](Cl)Cl Tox21_300646 -NCGC00254000-01 196714987 tox21-ror-cho-viability-p1 set2 -2.1 43.6139813671 -90.8869985631 -5.006858012 -95.8938565751 2.2526478767 0.9632548253 0.000001524 -2.25717858 -7.89241262 -0.72340416 -0.64513913 0.60353726 -8.74226512 -6.5667516 -13.67995891 -2.78020506 -10.46689488 -3.95568741 -5.81801057 -10.3298649 -43.97534053 -79.46504286 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 54965-24-1 2733525 144210594 A A Tamoxifen citrate O=C(O)C(O)(CC(=O)O)CC(=O)O.CN(C)CCOc1ccc(cc1)/C(c2ccccc2)=C(/CC)c3ccccc3 Tox21_300274 -NCGC00357171-01 196711679 tox21-ror-cho-viability-p1 set2 2.4 61.130564862 24.533722264 1.466277736 26 0.9999999999 0.7662503473 0.0150924104 5.81484875 1.222304 -2.11143522 3.16959896 -0.64731131 0.72278857 2.63957003 3.12920953 2.19789973 1.58537548 5.5476049 4.38569738 1.8385452 10.7077054 19.65507288 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4856-95-5 6327109 251919904 Bc Borane - morpholine complex B.C1CNCCO1 Tox21_303932 -NCGC00163919-02 196711688 tox21-ror-cho-viability-p1 set2 4 1.09680742 1.09126004 2.40835654 2.94708776 0.60231297 3.37187818 1.84826302 4.09005216 1.73794205 3.26604515 0.49775441 -2.4425705 2.65673301 0.89139477 -0.50758011 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00260105-01 196711693 tox21-ror-cho-viability-p1 set2 4 0.17999969 -3.13938634 -4.20748237 -5.90878257 -4.74928297 -10.25472724 -1.122656 -2.78774809 -3.95936554 -2.07454425 -6.27274101 -0.2593121 -7.91734645 4.85003086 -22.24151594 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.00001842 0.0000412 0.00009212 121-60-8 8481 144209754 F C 4-(Acetylamino)benzenesulfonyl chloride O=S(Cl)(=O)c1ccc(NC(C)=O)cc1 Tox21_202556 -NCGC00259894-01 196711696 tox21-ror-cho-viability-p1 set2 4 -32.56353921 -42.13765143 -34.36410658 -10.36145322 -8.02722777 -9.69985131 -42.02904951 -22.41530533 -41.79995886 -20.5732087 -27.22492907 -19.87586622 -38.65480185 -21.1207564 -38.59761531 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003667 0.000008201 0.00001834 0.000041 0.00009169 123-31-9 785 144209543 A A Hydroquinone Oc1ccc(O)cc1 Tox21_202345 -NCGC00357024-01 196712094 tox21-ror-cho-viability-p1 set2 4 -2.11002805 -2.24759729 -9.19539094 -1.07940153 -0.30750777 -10.46950585 -5.16722283 -12.03726238 -1.27962043 -4.87464223 -4.77748342 -1.73562282 -1.0305605 1.1500144 -6.17733005 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13759-92-7 57433782 251919865 Europium(III) chloride hexahydrate O.O.O.O.O.O.Cl[Eu](Cl)Cl Tox21_303707 -NCGC00356973-01 196712107 tox21-ror-cho-viability-p1 set2 2.4 61.130564862 29.9903977241 1.5096022759 31.5 3.9899729863 0.9439040489 0.0000158391 3.7196612 -0.27323327 -0.40866477 -0.18782669 3.37020344 1.10261664 -0.20609185 3.45080737 3.86916679 1.09523006 1.66256351 1.75782026 3.68098443 6.16688815 26.66315917 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7786-67-6 24585 251919794 F 5-Methyl-2-(prop-1-en-2-yl)cyclohexanol CC(=C)C1CCC(C)CC1O Tox21_303961 -NCGC00091253-05 196712110 tox21-ror-cho-viability-p1 set2 -2.4 0.1053992228 -47.9699940642 -3.64752732 -51.6175213842 0.6999999999 0.5385504512 0.3260974053 -2.94226169 -4.34554891 -16.82102098 -14.49357202 -6.07677423 -38.53077455 -12.69461155 -45.27852753 -1.59928143 -10.33870254 -13.89555858 -5.07648665 -12.48450297 -14.61479178 -10.01312182 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.000001608 0.000003595 0.000008038 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00094839-04 196712517 tox21-ror-cho-viability-p1 set2 4 14.9600854925 9.863424528 -2.863424528 7 1.1340999999 0.6687049831 0.0547448237 -4.37220635 -5.71952044 -3.15866772 -1.14934776 -0.27565412 -0.0816277 -2.94374058 -4.45872372 -3.51209559 -4.37443275 -0.23360134 0.04480741 -0.79342249 3.2223929 4.96069444 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1188-37-0 70914 170466605 A N-Acetyl-L-glutamic acid O=C(C)N[C@@H](CCC(=O)O)C(=O)O Tox21_112308_1 -NCGC00259242-01 196722156 tox21-ror-cho-viability-p1 set3 4 26.2818224172 11.115461348 -4.615461348 6.5 4.9549173134 0.7920131171 0.0094789879 -4.38945311 -3.39305697 -0.5033062 -4.55980572 -7.28698643 -7.59621779 -5.80523974 -6.12406181 -6.85781015 -2.19037722 -4.87004558 -3.90819183 -3.44913316 6.65440969 5.47426472 1.1429999999E-9 2.556E-9 5.716E-9 1.278E-8 2.858E-8 6.39E-8 1.429E-7 3.1949999999E-7 7.145E-7 0.000001598 0.000003572 0.000007988 0.00001786 0.000039939999999 0.00008931 109-06-8 7975 144208891 FC 2-Methylpyridine Cc1ccccn1 Tox21_201693 -NCGC00259212-01 196722161 tox21-ror-cho-viability-p1 set3 4 -2.54804642 0.72566996 -4.51537834 -1.14651818 -3.40516881 -4.19171839 -1.63335412 -1.08841793 -2.14555853 1.25696525 -0.41539796 1.19643273 -2.32219795 3.95862514 0.45916874 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.9369999999E-8 6.568E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.000003672 0.00000821 0.000018359999999 0.000041049999999 0.00009179 62-75-9 6124 144208861 AC A N-Nitrosodimethylamine CN(C)N=O Tox21_201663 -NCGC00259830-01 196721765 tox21-ror-cho-viability-p1 set3 4 24.5346421974 10.1262201519 -2.6262201519 7.5 4.9549173134 0.3717501562 0.2994894161 -12.60518346 6.16421865 -7.65954995 3.12428998 -1.67292504 -2.51572486 -2.83482381 -2.72233468 -1.49817718 -2.53205075 -2.30523416 -2.31248243 -1.22962516 9.7862703 4.37097763 1.188E-9 2.657E-9 5.941E-9 1.3289999999E-8 2.971E-8 6.6429999999E-8 1.4849999999E-7 3.321E-7 7.427E-7 0.0000016609999999 0.000003713 0.000008303 0.00001857 0.00004152 0.000092829999999 79-39-0 6595 144209479 A A Methacrylamide C=C(C)C(N)=O Tox21_202281 -NCGC00090780-04 196721773 tox21-ror-cho-viability-p1 set3 4 -6.5614976 -7.13867342 -1.6839488 2.51024996 -0.04049772 -1.05099783 -1.69271481 -2.3145024 -4.56677145 0.29492344 -2.91996507 -2.00621846 -4.92986758 -4.38601515 -3.36887725 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00090827-04 196722168 tox21-ror-cho-viability-p1 set3 4 27.4727179077 12.6942531999 -9.1942531999 3.5 4.9549173134 0.7341309091 0.0247629535 -10.97078778 -14.745211 -11.38779875 -7.87971522 -3.256932 -7.28514366 -8.12625944 -9.29708498 -9.59141757 -8.92300403 -10.9166404 -9.48997648 -9.05978127 3.53109884 2.05121524 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00015409-11 196722571 tox21-ror-cho-viability-p1 set3 4 -0.4793979 14.99322659 23.31243449 5.97137256 16.17181502 8.37165985 4.60505993 5.24882287 7.83247515 10.98108163 5.58747111 2.31307003 3.68332083 14.842271 28.53511313 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 116-38-1 8307 170464801 Z Edrophonium chloride [Cl-].C[N+](C)(CC)c1cccc(O)c1 Tox21_110138_1 -NCGC00015563-13 196722584 tox21-ror-cho-viability-p1 set3 4 37.5780357627 17.9819734879 -7.9819734879 10 4.9549173134 0.4998559532 0.1790475292 -8.18122489 -14.56831124 -8.88843495 -8.30475656 0 -11.41061317 -11.28147452 -10.33703919 -5.7504373 -5.89643578 -5.38783684 -8.303906 -2.63417123 -9.23029994 6.39892957 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-49-7 3696 170464777 A Imipramine CN(C)CCCN2c3ccccc3CCc1ccccc12 Tox21_110174_1 -NCGC00023509-13 196723410 tox21-ror-cho-viability-p1 set3 -1.4 9.4391758155 -38.4040631855 -4.154304325 -42.5583675105 1.6266150999 0.5973012547 0.0985694593 0 -6.08297651 0 -9.76613628 -23.62766161 2.60783094 -17.20325707 -21.20750021 0.72908139 0.00332445 -3.93642714 -13.14275825 -23.9873924 -34.15732857 -38.93521231 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 75330-75-5 53232 170464913 A Lovastatin C[C@@H](CC)C(=O)O[C@H]2C[C@@H](C)C=C3C=C[C@H](C)[C@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@@H]23 Tox21_110888_1 -NCGC00260628-01 196723811 tox21-ror-cho-viability-p1 set3 4 0.1333319023 9.0333502639 -6.5333502639 2.5 4.9549173134 0.5916853899 0.1031919853 -0.76837951 -12.11112522 -3.1256238 -0.58911402 -8.42378155 -11.50884527 -8.6388657 1.56962976 1.02959071 1.12521999 1.49497333 1.06904322 1.97676653 0.92353773 8.03682458 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49524 144210281 M M NTP Mix104 ER1 10-EQC Tox21_203083 -NCGC00356995-01 196723818 tox21-ror-cho-viability-p1 set3 4 76.9588215421 14.7596897119 -4.7596897119 10 4.9549173134 0.3652643864 0.3060507077 -5.83735504 -0.27861238 0.31638865 -11.88307476 -2.34639516 -7.37879885 -3.73711089 -2.97686052 1.04642965 -10.70591801 -3.24074304 -3.50541351 -6.18569165 -8.7803952 7.0935327 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19660-16-3 29728 251919679 F 2,3-Dibromopropyl acrylate BrC(CBr)COC(=O)C=C Tox21_303936 -NCGC00260471-01 196723823 tox21-ror-cho-viability-p1 set3 4 27.2782538257 -13.965245 2.5 -11.465245 0.5 0.461488919 0.2146127009 -1.21920988 3.22501228 6.00796884 -1.61279938 7.38547589 -3.11961752 7.08021542 -0.17663157 -1.66265665 -2.43063806 -0.37764962 -0.96561978 -2.94192646 -3.78361389 -8.7210375 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 5401-94-5 21501 144210123 A A 5-Nitroindazole [O-][N+](=O)c1cc2cnnc2cc1 Tox21_202925 -NCGC00260089-01 196723826 tox21-ror-cho-viability-p1 set3 4 0.0236522708 5.1784031439 -4.6784031439 0.5 4.9549173134 0.3251823904 0.3449361301 0.74788908 -0.16559471 -10.98200262 -5.89373374 -6.45670136 1.69409915 -3.90571116 4.76307065 1.31417454 -3.25526283 0.03936313 0.56615852 -0.25404515 0.10782493 5.8905817 5.887E-10 1.3159999999E-9 2.943E-9 6.582E-9 1.472E-8 3.291E-8 7.359E-8 1.645E-7 3.679E-7 8.227E-7 0.00000184 0.000004114 0.000009198 0.000020569999999 0.00004599 21850-44-2 62753 144209738 A A Tetrabromobisphenol A-bis(2,3-dibromopropyl ether) Brc1cc(cc(Br)c1OCC(Br)CBr)C(C)(C)c2cc(Br)c(OCC(Br)CBr)c(Br)c2 Tox21_202540 -NCGC00258360-01 196729653 tox21-ror-cho-viability-p1 set3 4 1.25141221 0.68129862 0.00410578 3.67960933 3.35167627 4.30467834 1.04756969 -0.20110625 -0.856494 1.77977406 2.28852856 2.17816645 -0.79719569 -1.02201028 -3.41123736 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.613E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.00001848 0.00004133 0.00009242 75-27-4 6359 144208004 AC Fc Bromodichloromethane BrC(Cl)Cl Tox21_200806 -NCGC00258208-01 196730068 tox21-ror-cho-viability-p1 set3 4 0.8494612579 -12.55337412 -0.5 -13.05337412 3.9899729863 0.4742117855 0.2183825884 1.5336117 -3.76530575 1.52145655 -1.36773319 -1.45895296 -2.27470924 1.09623656 0.18258008 -0.6231949 -22.65982968 -26.7111451 0 -7.14121732 -10.90616327 -3.44953887 1.164E-9 2.602E-9 5.818E-9 1.301E-8 2.909E-8 6.5049999999E-8 1.4549999999E-7 3.253E-7 7.2729999999E-7 0.0000016259999999 0.000003636 0.000008131 0.00001818 0.000040659999999 0.00009091 40596-69-8 5366546 144207852 Ac Fc Methoprene CC(C)OC(=O)\C=C(/C)\C=C\CC(C)CCCC(C)(C)OC Tox21_200654 -NCGC00257651-01 196729240 tox21-ror-cho-viability-p1 set3 4 -0.03645147 1.16138295 -0.64750677 0.75103187 1.17104598 0.9352945 -0.64637251 0.86912753 4.64382016 1.64565315 2.46304168 -2.61628604 0.51749443 -4.60681375 0.83160216 1.177E-9 2.6319999999E-9 5.8849999999E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.0000036779999999 0.000008225 0.00001839 0.00004113 0.00009196 6881-94-3 81313 144207295 A A 2-(2-Propoxyethoxy)ethanol CCCOCCOCCO Tox21_200097 -NCGC00258578-01 196729649 tox21-ror-cho-viability-p1 set3 4 1.03319776 0.03976125 -0.57793004 2.66121636 2.26804184 0.44434283 4.14881423 2.07299671 4.10103601 3.88254272 5.16910843 -0.0941094 2.76742814 0.96427806 -0.51927805 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.6E-8 1.476E-7 3.3E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.00004125 0.000092239999999 95-78-3 7259 144208223 A A 2,5-Dimethylaniline Cc1cc(N)c(C)cc1 Tox21_201025 -NCGC00258546-01 196730069 tox21-ror-cho-viability-p1 set3 -2.4 19.272220481 -29.9201143759 0.5 -29.4201143759 1.24751 0.9659561545 9.965E-7 1.62359362 0.43375813 -1.02771971 0.0349736 -1.9689658 0.78777684 0.66788175 0.23607114 1.09973806 -1.89605165 -1.38594272 -6.4759391 -17.07253941 -17.82390062 -27.01676198 1.177E-9 2.6319999999E-9 5.886E-9 1.316E-8 2.943E-8 6.5809999999E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.000003679 0.000008226 0.00001839 0.00004113 0.000091969999999 131-53-3 8569 144208191 A A 2,2'-Dihydroxy-4-methoxybenzophenone O=C(c1ccc(cc1O)OC)c2ccccc2O Tox21_200993 -NCGC00258436-01 196730078 tox21-ror-cho-viability-p1 set3 4 9.7181073827 11.0033570799 -0.5033570799 10.5 3.9294729863 0.8336965148 0.005409303 -1.39011508 0.73084884 -0.2121131 3.22919948 -0.00126707 0.0725929 -3.3361309 -1.52837376 -1.17148194 -0.90531156 -1.84282624 2.39083092 12.01651852 8.50279304 3.85108518 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.397E-7 0.0000016539999999 0.0000036979999999 0.0000082699999999 0.000018489999999 0.00004135 0.000092459999999 2107-76-8 5354284 144208080 A A 5,7-Dihydroxy-4-methylcoumarin Oc2cc(O)cc1OC(=O)C=C(C)c12 Tox21_200882 -NCGC00258191-01 196730081 tox21-ror-cho-viability-p1 set3 4 -21.79547186 3.08656998 -4.27833906 -14.12006731 -25.59408151 -4.89267193 -26.5571121 -8.01396482 -26.22683834 0 -5.26709459 0 -7.43278594 -5.79911098 -0.80142356 1.167E-9 2.61E-9 5.837E-9 1.305E-8 2.918E-8 6.5259999999E-8 1.459E-7 3.2629999999E-7 7.296E-7 0.000001631 0.000003648 0.000008157 0.000018239999999 0.000040789999999 0.0000912 393-52-2 9808 144207835 D 2-Fluorobenzoyl chloride O=C(Cl)c1ccccc1F Tox21_200637 -NCGC00090827-04 196730481 tox21-ror-cho-viability-p1 set3 4 -1.23249736 -2.66931115 -1.50717095 -2.61356316 -0.7968217 -7.51484966 -13.58397405 -22.19189886 0 -3.54717488 -0.50941091 -1.86803345 -12.71310563 -7.7429881 -3.65293417 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00258726-01 196730486 tox21-ror-cho-viability-p1 set3 4 1.34131341 -1.36664894 -4.40636207 -1.14983702 -1.00376605 1.8397586 0.37867824 -5.41887141 0.77771321 3.74762957 1.29660105 0.80480855 -5.88097172 0.37439315 1.84722923 1.211E-9 2.709E-9 6.056E-9 1.3539999999E-8 3.028E-8 6.771E-8 1.514E-7 3.386E-7 7.5709999999E-7 0.000001693 0.0000037849999999 0.000008464 0.00001893 0.00004232 0.00009463 3970-62-5 19871 144208372 A Ac 2,2-Dimethyl-3-pentanol CC(C)(C)C(O)CC Tox21_201174 -NCGC00257727-01 196730489 tox21-ror-cho-viability-p1 set3 4 1.29542873 0.33270138 2.80048226 1.64148191 1.74244935 2.60873345 4.4957822 1.28419606 2.04566214 3.32713753 1.993685 1.28607933 2.13228106 0.55033396 -2.83086034 1.188E-9 2.6549999999E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 7493-72-3 61410 144207371 A Ac Allyl nonanoate O=C(CCCCCCCC)OCC=C Tox21_200173 -NCGC00258122-01 196730494 tox21-ror-cho-viability-p1 set3 4 0.0123337208 -7.0942543839 4.5 -2.5942543839 2.7202212143 0.4109305337 0.2625555877 -0.12979568 6.79930269 6.78534279 -0.77876974 -3.08017649 0.50928153 -2.91796526 -3.9374324 -4.02245669 -2.80823632 -5.40703118 0.44729437 1.29811367 1.63908227 -10.07854532 1.191E-9 2.663E-9 5.955E-9 1.332E-8 2.978E-8 6.6579999999E-8 1.489E-7 3.3289999999E-7 7.4439999999E-7 0.000001665 0.0000037219999999 0.000008323 0.00001861 0.000041609999999 0.00009305 4345-03-3 20353 144207766 A F D-alpha-Tocopheryl succinate O=C(O)CCC(=O)Oc2c(C)c(C)c1O[C@@](C)(CCc1c2C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C Tox21_200568 -NCGC00257620-01 196716186 tox21-ror-cho-viability-p1 set2 4 1.14882713 -3.22083323 -8.88911544 -1.14135737 -1.80661425 0.246148 -4.51563235 -0.74912393 -8.18415544 -5.41919323 -6.88308567 -0.6935362 -3.07716474 -8.2091173 -2.36757034 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008241 0.000018429999999 0.00004121 0.00009214 5522-43-0 21694 144207264 A A 1-Nitropyrene [O-][N+](=O)c4ccc1ccc2cccc3ccc4c1c23 Tox21_200066 -NCGC00258751-01 196715356 tox21-ror-cho-viability-p1 set2 4 1.52382835 0.21161555 1.53478021 0.70230336 -1.17531168 0.33409858 1.29142985 0.60785172 1.56362554 -0.17822852 -0.2025082 2.12796536 1.40920888 0.86901464 2.48490187 1.2279999999E-9 2.745E-9 6.138E-9 1.3729999999E-8 3.069E-8 6.863E-8 1.535E-7 3.431E-7 7.6729999999E-7 0.000001716 0.0000038359999999 0.0000085779999999 0.00001918 0.00004289 0.00009591 105-59-9 7767 144208397 A Fns N-Methyldiethanolamine OCCN(C)CCO Tox21_201199 -NCGC00257952-01 196715764 tox21-ror-cho-viability-p1 set2 4 -1.29246497 -3.11981566 -4.7364011 -1.0434307 -0.27261777 -1.48106325 -0.18585075 -4.4687269 1.07062877 0.78320059 0.81930593 0 1.89386315 0.84903641 0.14555017 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6239999999E-8 1.481E-7 3.312E-7 7.405E-7 0.000001656 0.0000037029999999 0.000008279 0.00001851 0.0000414 0.000092569999999 140-57-8 8809 144207596 FNS Aramite CC(C)(C)c1ccc(OCC(C)OS(=O)OCCCl)cc1 Tox21_200398 -NCGC00257561-01 196715766 tox21-ror-cho-viability-p1 set2 4 68.8687250228 16.071008356 -1.071008356 15 4.0949729863 0.7577263194 0.0175317081 0.08104954 -2.8231847 -3.62780826 -5.05917363 -0.21566487 -1.21570328 -2.96547712 1.01587364 0.62400536 0.49982561 -0.81885358 -2.98839708 0.82562698 0.61078885 11.36058753 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.324E-8 2.959E-8 6.618E-8 1.4799999999E-7 3.309E-7 7.399E-7 0.0000016539999999 0.0000036989999999 0.000008272 0.0000185 0.00004136 0.00009248 7779-65-9 62660 144207205 A A 3-Methylbutyl cinnamate CC(C)CCOC(=O)C=Cc1ccccc1 Tox21_200007 -NCGC00258117-01 196716597 tox21-ror-cho-viability-p1 set2 4 1.84910157 1.66192338 0.25357795 1.43466458 2.53088411 4.36899649 0.35152192 4.0478745 4.16106515 2.06384444 1.09453833 1.92355431 1.19270957 2.60176189 -0.33789069 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 87-81-0 2724552 144207761 D D-Tagatose O[C@H]1[C@@H](O)[C@H](O)CO[C@@]1(O)CO Tox21_200563 -NCGC00258422-01 196716598 tox21-ror-cho-viability-p1 set2 4 -1.76007048 -2.87941924 -2.98445323 -1.15918535 -3.66431437 -1.45708857 -2.01740995 -1.59758687 -0.3218086 -0.33171551 -0.43607864 -1.95023215 1.759119 -1.27748234 -1.82799131 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.315E-8 2.9389999999E-8 6.573E-8 1.4699999999E-7 3.2859999999E-7 7.3489999999E-7 0.000001643 0.000003674 0.0000082159999999 0.00001837 0.00004108 0.000091859999999 546-80-5 261491 144208066 A A alpha-Thujone C[C@H]1C(=O)C[C@@]2(C[C@H]12)C(C)C Tox21_200868 -NCGC00257927-01 196716600 tox21-ror-cho-viability-p1 set2 4 -2.14618394 0.6177039 0.54877772 -3.20195229 -4.18054205 -3.88427448 -4.64086694 -1.38109079 2.16467141 -0.32139053 -3.23558325 -3.89618351 2.03413697 -3.64565884 -2.69432834 1.165E-9 2.605E-9 5.825E-9 1.302E-8 2.912E-8 6.5119999999E-8 1.456E-7 3.256E-7 7.281E-7 0.000001628 0.000003641 0.000008141 0.0000182 0.0000407 0.00009101 89-98-5 6996 144207571 A A 2-Chlorobenzaldehyde O=Cc1ccccc1Cl Tox21_200373 -NCGC00258441-01 196716604 tox21-ror-cho-viability-p1 set2 4 27.4171332585 19.4636261599 -2.4636261599 17 4.5044702849 0.9539911534 0.0000053659 -0.36023746 -3.77393655 -1.37756002 -2.00377823 -0.55224776 -3.59757607 -0.46144367 -3.70683244 -2.97963156 -4.5530218 -1.67446653 -4.28633381 0.15608101 14.04218177 17.11969104 1.1839999999E-9 2.647E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.619E-8 1.4799999999E-7 3.309E-7 7.4E-7 0.000001655 0.0000037 0.0000082729999999 0.0000185 0.00004137 0.0000925 537-92-8 10843 144208085 A A N-Acetyl-m-toluidine O=C(C)Nc1cc(C)ccc1 Tox21_200887 -NCGC00258352-01 196716605 tox21-ror-cho-viability-p1 set2 4 0.31335051 -3.67157967 0.16558908 -0.25677277 1.08029922 0.01334429 0.29549041 -0.39872028 0.53596361 0.18464521 0.41984913 0.67327255 0.90296864 1.96014463 1.35609749 1.182E-9 2.6419999999E-9 5.909E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.386E-7 0.0000016519999999 0.000003693 0.000008258 0.00001846 0.00004129 0.000092319999999 7727-21-1 24412 144207996 Potassium persulfate [K+].[K+].O=S(=O)([O-])OOS([O-])(=O)=O Tox21_200798 -NCGC00247717-01 196717001 tox21-ror-cho-viability-p1 set2 4 0.5197577 -4.95638449 -6.0120781 -0.31482189 2.53100395 -3.659777 1.90007348 -0.98491698 -0.49151115 -1.64184869 -4.60018544 0.36757689 -1.99307576 -2.238027 2.79831284 1.3249999999E-9 2.964E-9 6.6269999999E-9 1.482E-8 3.314E-8 7.409E-8 1.6569999999E-7 3.705E-7 8.284E-7 0.000001852 0.000004142 0.000009262 0.00002071 0.00004631 0.0001035 2426-63-3 24802109 144206433 A A 5-Methoxy-N,N-diisopropyltryptamine hydrochloride Cl.CC(C)N(CCc2cnc1ccc(cc12)OC)C(C)C Tox21_112880 -NCGC00164127-03 196717014 tox21-ror-cho-viability-p1 set2 -2.1 48.5577336745 -97.4048233024 -1.776704188 -99.1815274904 1.8851180601 0.9930400927 1E-10 -1.46067121 -0.01232745 -0.18611875 -3.50386112 0.73558166 -5.77333924 -0.47556844 -1.86099122 -1.79831653 -2.69860795 -2.0414958 -7.44700721 -16.97409873 -41.58144263 -77.03146022 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00258185-01 196716199 tox21-ror-cho-viability-p1 set2 4 -0.68966055 -4.88445157 -5.05897297 -5.80871997 -5.98130641 -4.58185705 -5.59271006 -2.96976611 -1.52375555 -2.45121277 -1.31095521 0.40506109 2.10492059 -2.57698752 -1.40813541 1.1989999999E-9 2.68E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.701E-8 1.4979999999E-7 3.351E-7 7.492E-7 0.000001675 0.000003746 0.0000083759999999 0.00001873 0.00004188 0.00009365 88-26-6 6929 144207829 A A di-tert-Butyl-4-hydroxymethyl phenol CC(C)(C)c1cc(cc(c1O)C(C)(C)C)CO Tox21_200631 -NCGC00258583-01 196715788 tox21-ror-cho-viability-p1 set2 -1.2 31.8256106956 -51.28734459 -0.602384352 -51.889728942 4.0949729863 0.9766647437 1.156E-7 -1.74058605 1.20593688 -3.25776999 0.08521352 2.42453361 3.36858914 -4.61782649 0.14012081 0.30858371 -1.75271489 -1.59043494 -0.21112491 -6.93287553 -39.65625419 -57.65525438 1.218E-9 2.723E-9 6.0889999999E-9 1.3619999999E-8 3.045E-8 6.808E-8 1.522E-7 3.4039999999E-7 7.611E-7 0.000001702 0.000003806 0.00000851 0.00001903 0.00004255 0.00009514 123-30-8 403 144208228 C 4-Aminophenol Nc1ccc(O)cc1 Tox21_201030 -NCGC00258572-01 196729968 tox21-ror-cho-viability-p1 set3 4 0.36889495 -1.26599424 -0.37963563 2.94260696 -1.0027412 2.29399228 0.22254845 2.79700311 6.92374973 2.19703049 3.77166232 3.2991394 2.53244647 2.7869784 1.30051905 1.156E-9 2.5839999999E-9 5.778E-9 1.292E-8 2.889E-8 6.46E-8 1.444E-7 3.23E-7 7.2219999999E-7 0.000001615 0.000003611 0.000008075 0.000018059999999 0.000040369999999 0.00009028 628-02-4 12332 144208217 A A Hexanamide CCCCCC(N)=O Tox21_201019 -NCGC00258557-01 196729953 tox21-ror-cho-viability-p1 set3 4 2.33208642 0.3865373 2.05163061 6.3075059 -0.08116187 6.2267322 2.63995366 3.60426859 6.71604447 6.60710157 2.63766173 2.46213487 2.93614504 4.71929443 8.55328057 1.1989999999E-9 2.6809999999E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.7019999999E-8 1.4989999999E-7 3.351E-7 7.493E-7 0.000001676 0.000003747 0.000008378 0.00001873 0.00004189 0.00009366 111-68-2 8127 144208202 A F Heptylamine CCCCCCCN Tox21_201004 -NCGC00258741-01 196729978 tox21-ror-cho-viability-p1 set3 4 -0.17757813 -4.93703167 -2.67932264 -5.52719011 -4.20742203 -3.30642573 -0.7549653 -4.54238719 -4.10618481 -0.88928583 -3.8346841 -3.72183939 0.44269404 -2.57694166 -6.8215409 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.0000036889999999 0.000008248 0.00001844 0.00004124 0.00009222 50-45-3 5765 144208387 A A 2,3-Dichlorobenzoic acid Clc1c(cccc1Cl)C(=O)O Tox21_201189 -NCGC00257892-01 196730379 tox21-ror-cho-viability-p1 set3 4 -3.44904998 -2.99577181 0.73423181 -2.940902 -0.55194251 -13.97558784 0 0 0 0 -2.73189779 0 -3.11073826 -0.10926315 -2.20973875 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 0.000091709999999 603-50-9 2391 144207536 A A Bisacodyl CC(=O)Oc1ccc(cc1)C(c2ccc(OC(C)=O)cc2)c3ccccn3 Tox21_200338 -NCGC00258227-01 196730394 tox21-ror-cho-viability-p1 set3 4 0.239410711 10.575229168 -13.075229168 -2.5 4.9549173134 0.4838042249 0.1928598563 -7.78340095 -11.39109807 -21.72935764 -20.84425353 0 -10.21380317 -18.6610659 0 0 -2.72881253 -1.37197413 -3.56127421 -5.45068353 -2.54277117 -3.12171728 1.164E-9 2.6039999999E-9 5.822E-9 1.302E-8 2.911E-8 6.509E-8 1.4549999999E-7 3.255E-7 7.2769999999E-7 0.0000016269999999 0.000003639 0.000008136 0.00001819 0.00004068 0.000090969999999 634-90-2 12468 144207871 AC Ac 1,2,3,5-Tetrachlorobenzene Clc1cc(Cl)c(Cl)c(Cl)c1 Tox21_200673 -NCGC00160537-04 196709273 tox21-ror-cho-viability-p1 set2 4 -4.54495991 -0.49810355 0.17512227 1.05671312 -0.80102477 -3.69726488 -2.43410078 2.00766717 -0.2535157 -1.01633656 -1.70229572 -1.24760509 -0.44029492 0.30422741 -4.70403442 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00259233-01 196708855 tox21-ror-cho-viability-p1 set2 4 3.76678355 5.01006052 3.45447163 1.86842755 -1.40538993 0.76992043 0.55049229 1.71641583 0.13636023 4.25430879 4.59179314 -0.6817459 1.05494365 -0.07853513 4.11045103 1.1999999999E-9 2.683E-9 5.999E-9 1.3409999999E-8 2.999E-8 6.707E-8 1.5E-7 3.353E-7 7.498E-7 0.000001677 0.000003749 0.000008383 0.00001875 0.00004192 0.00009373 94-52-0 7195 144208882 A A 6-Nitrobenzimidazole [O-][N+](=O)c1cc2ncnc2cc1 Tox21_201684 -NCGC00259412-01 196708857 tox21-ror-cho-viability-p1 set2 4 -0.96800046 -0.12963321 -2.14671638 -1.04066165 -2.07828639 -0.38021774 -0.52890625 -3.59353972 -1.06318815 2.41602791 -1.49519928 -1.04621472 -0.56956428 2.91385355 4.05333852 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.9479999999E-8 6.591E-8 1.474E-7 3.295E-7 7.369E-7 0.000001648 0.000003684 0.000008239 0.00001842 0.00004119 0.00009211 118-82-1 8372 144209061 A F 4,4'-Methylenebis(2,6-di-t-butylphenol) CC(C)(C)c1cc(cc(c1O)C(C)(C)C)Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C Tox21_201863 -NCGC00259437-01 196709265 tox21-ror-cho-viability-p1 set2 4 0.0015214871 13.3756566 -13.3756566 0 4.9549173134 0.6076289355 0.0925957162 -11.1463805 0.26669748 -0.31173226 -0.71676831 -1.54121437 6.67204716 -2.59518855 0.99615548 1.92002731 1.36293167 -1.96399591 -0.38829283 -0.90769466 -1.9807221 -1.59761987 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 119-53-9 8400 144209086 A A Benzoin OC(C(=O)c1ccccc1)c2ccccc2 Tox21_201888 -NCGC00254411-01 196700060 tox21-ror-cho-viability-p1 set1 4 0.96836125 -0.21545776 5.18354224 2.67293796 1.64113331 -1.68260809 0.93641564 -0.32870911 -0.32865706 3.66467461 0.10036686 3.55997724 2.41691164 0.57596117 2.78102972 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-78-1 6497 144210953 D Dimethyl sulfate O=S(=O)(OC)OC Tox21_300636 -NCGC00254904-01 196699221 tox21-ror-cho-viability-p1 set1 4 -0.92815551 1.07499235 0.4482596 -8.61446501 -0.20418536 0.12367372 0.15473987 -0.75560564 1.29486101 -7.82131673 -0.46451433 -13.17180342 -0.13282053 1.73451814 1.21774929 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-51-7 24705 144211319 FC Octamethyltrisiloxane C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C Tox21_301002 -NCGC00254203-01 196699656 tox21-ror-cho-viability-p1 set1 4 0.79487366 -1.87361168 7.38712112 0.58704033 0.16199295 -0.29526963 1.13781103 0.41674195 0.98639074 -1.47107801 7.49040425 -1.56466838 -2.75400729 8.73871779 8.88025454 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-30-3 6037 144210447 A A Folic acid O=C(O)[C@H](CCC(=O)O)NC(=O)c1ccc(cc1)NCc2cnc3NC(N)=NC(=O)c3n2 Tox21_300127 -NCGC00090987-03 196700068 tox21-ror-cho-viability-p1 set1 4 -2.84322539 0.5723765 -2.11411752 -2.71845606 -2.88556104 -4.33864084 0.75074689 -4.21357732 -0.87542185 -1.89976053 1.96679296 -0.11938005 1.43817698 0.5139681 -0.21498293 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00255775-01 196700472 tox21-ror-cho-viability-p1 set1 -2.2 51.2848938682 -70.9432326603 -5.354761952 -76.2979946123 1.0999999999 0.8548679 0.0019329105 -3.58729558 0.74610845 -0.65981806 -0.75860043 -5.50159759 -8.15401216 -7.53561671 -12.00917235 -1.01477439 -13.82475494 -13.51157572 -11.72486621 -14.48075415 -24.58325519 -57.80151107 9.2609999999E-10 2.071E-9 4.6299999999E-9 1.035E-8 2.315E-8 5.1769999999E-8 1.1579999999E-7 2.5879999999E-7 5.788E-7 0.000001294 0.000002894 0.0000064709999999 0.00001447 0.000032359999999 0.00007235 1176-74-5 92873 144212238 A Tetrabromophenolphthalein ethyl ester BrC1=CC(\C=C(Br)C1=O)=C(/c2cc(Br)c(O)c(Br)c2)c3ccccc3C(=O)OCC Tox21_301921 -NCGC00255153-01 196700488 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -32.5958880799 -2 -34.5958880799 1.0999999999 0.7659648409 0.0151121752 0.37941836 -3.58425659 -0.71753045 -0.46311458 -4.50762141 -0.30755769 -0.36373779 -5.39619994 -2.90320895 -7.42341195 0.09273076 -8.84274746 -6.38614831 -8.40279256 -25.4965734 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 82640-04-8 54900 144212686 A A Raloxifene hydrochloride Cl.Oc1ccc(cc1)c3sc2cc(O)ccc2c3C(=O)c5ccc(OCCN4CCCCC4)cc5 Tox21_302369 -NCGC00255262-01 196700881 tox21-ror-cho-viability-p1 set1 -2.1 61.130564862 -105.3904781919 0.521919796 -104.8685583959 3.9899729863 0.9869421929 4E-9 1.13997041 0.54186839 1.11148988 0.73863879 1.02186193 1.00942179 2.10243721 1.67951047 1.38361796 0.84704212 2.39033671 -8.77081305 0.10399069 -18.72586769 -87.39046533 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52-76-6 5284486 144212286 B A Lynestrenol C[C@]32CC[C@@H]1[C@H]4CCCC=C4CC[C@H]1[C@@H]3CC[C@]2(O)C#C Tox21_301969 -NCGC00256052-01 196700893 tox21-ror-cho-viability-p1 set1 4 1.25918901 -5.17960117 0.28710918 -4.75004851 -3.05668001 -3.98710017 -6.9367532 -5.98983824 -9.28728427 -3.17971829 -2.50197308 -18.0030521 0.18371525 1.43907156 -4.5665903 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17980-47-1 87391 144211714 F F Triethoxy(2-methylpropyl)silane CCO[Si](OCC)(OCC)CC(C)C Tox21_301397 -NCGC00255325-01 196700904 tox21-ror-cho-viability-p1 set1 4 -1.62262035 0.46172492 -3.92469862 -0.98322087 -1.87381452 -0.49301907 -0.10226296 3.23467179 0.28025056 4.57966897 5.15347367 0.32026796 4.89309799 0.48791273 5.09441036 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1300-73-8 6893 144212153 I Fns Dimethylaniline Cc1cccc(N)c1C Tox21_301836 -NCGC00254509-01 196698843 tox21-ror-cho-viability-p1 set1 4 -2.18315074 2.38334651 -1.40999465 -1.09563484 -4.08157495 1.07354048 -2.88862859 -1.47227071 -0.48672779 -1.51195553 -2.9822304 -4.95460239 -34.97413745 -4.10271457 -0.30268537 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 89-04-3 6960 144210957 AC Fns Trioctyl trimellitate O=C(OCCCCCCCC)c1cc(C(=O)OCCCCCCCC)c(cc1)C(=O)OCCCCCCCC Tox21_300640 -NCGC00015096-17 196698434 tox21-ror-cho-viability-p1 set1 -3 33.4914596268 -77.3050419978 -1.459479894 -78.7645218918 4.9549173134 0.9886109111 1.8E-9 0.2156557 -1.02849769 -1.56461268 -4.13969165 0.50311307 -0.78842914 -0.70770406 -2.75205577 0.13872018 -1.81014692 -1.07778447 -3.15332335 -5.19634495 -7.00231348 -69.09168587 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1951-25-3 2157 170464920 A Amiodarone hydrochloride CCN(CC)CCOc1c(I)cc(cc1I)C(=O)c2c3ccccc3oc2CCCC Tox21_110083_1 -NCGC00254728-01 196698830 tox21-ror-cho-viability-p1 set1 -2.4 0.7688056498 -27.063837812 0.5 -26.563837812 1.111 0.9630923909 0.0000015651 -2.12208413 1.4710472 -0.08931788 -0.00046747 0.74633914 0.31060146 0.93528601 -11.93946536 -13.48405338 -17.19641852 -20.16787815 -28.38653151 -25.49826386 -25.75054725 -26.4550509 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 361377-29-9 11048796 144211141 A A Fluoxastrobin Clc4ccccc4Oc3ncnc(Oc2ccccc2C(=N\OC)/C=1OCCON=1)c3F Tox21_300824 -NCGC00095160-03 196722720 tox21-ror-cho-viability-p1 set3 4 1.1883218301 36.782461292 -13.282461292 23.5 0.4 0.5492824058 0.1514229812 -11.50639036 -14.87307059 -12.06011019 2.59824097 -17.73538441 5.33591365 -8.59500498 -6.9332364 -2.31734753 16.68264374 -7.48566112 17.14283989 12.5093383 13.54172952 -1.77076051 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 22839-47-0 134601 170466109 A Aspartame O=C(O)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC Tox21_111080_1 -NCGC00262914-01 196722739 tox21-ror-cho-viability-p1 set3 4 4.2163249602 -12.313575484 3 -9.313575484 1.01 0.8113719048 0.0089789811 4.91161013 0.18439812 3.86975848 1.62095229 5.79636245 2.48405332 3.94029738 3.37578155 -0.12210504 0.25934188 1.68745264 -4.42893997 -5.24431972 -6.92797957 1.39000857 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 501-68-8 10391 170466371 A A Beclamide ClCCC(=O)NCc1ccccc1 Tox21_113912 -NCGC00095176-08 196723135 tox21-ror-cho-viability-p1 set3 4 0.2113168243 -9.400368556 4.5 -4.900368556 4.9549173134 0.4979488682 0.1802478354 0.19867262 0.07175957 3.77190747 5.9590796 8.33758599 9.75022762 5.22568958 2.40713023 -4.63351598 -2.44276552 -6.41466022 -5.02168689 -1.10150204 3.50028844 -17.00030713 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68693-11-8 4236 170465042 A Modafinil O=S(CC(N)=O)C(c1ccccc1)c2ccccc2 Tox21_111470_1 -NCGC00090814-07 196723141 tox21-ror-cho-viability-p1 set3 4 0.12758268 7.30947408 1.97783744 1.10942235 13.98328217 -0.29441247 1.64447699 -0.69680807 6.4919537 10.55959214 8.28169219 10.78604775 3.22686611 2.06235648 4.09137841 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 106-48-9 4684 170465673 Ac 4-Chlorophenol Oc1ccc(Cl)cc1 Tox21_111028_1 -NCGC00094580-04 196723158 tox21-ror-cho-viability-p1 set3 4 2.6391516 1.17644493 -0.44006637 2.05097786 -22.27843993 -0.18487813 0 0 -5.65741346 4.22096063 3.04761853 -2.15490074 -0.41410305 -0.86740479 10.02969879 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 315-30-0 2094 170464935 A Allopurinol Oc2ncnc1nncc12 Tox21_110082_1 -NCGC00095074-05 196723557 tox21-ror-cho-viability-p1 set3 4 2.05141105 7.60735355 4.07373515 4.39271837 1.07855324 -3.74661551 7.82956637 7.25765462 3.62783836 0.71278143 -0.81150361 -3.65811997 1.1354793 4.37461302 18.13768436 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 111-48-8 5447 170466604 F 2,2'-Thiobisethanol OCCSCCO Tox21_111413_1 -NCGC00023217-08 196723560 tox21-ror-cho-viability-p1 set3 4 14.20967265 12.10325823 5.99352473 3.08727151 1.18343921 8.6775627 10.25077045 6.52812006 -0.13953892 4.0423518 1.3027864 4.83320364 5.26802016 10.98857096 21.52574556 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6385-02-0 23663959 170464886 A Meclofenamate sodium [Na+].O.Clc2ccc(C)c(Cl)c2Nc1ccccc1C([O-])=O Tox21_110764_1 -NCGC00018122-11 196723565 tox21-ror-cho-viability-p1 set3 4 14.9600854925 10.1308214679 -2.1308214679 8 0.8999999999 0.6040129847 0.0957734526 0.04224433 -3.73945023 -2.33780073 -0.23134376 -2.12407202 -4.40234646 -3.31741907 0.37441664 -5.10901789 -2.35607024 2.02422718 0.8883666 -0.89722549 5.03420523 4.9308014 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 88107-10-2 3969 170466250 A Tomelukast CC(=O)c2ccc(OCCCCc1nnnn1)c(CCC)c2O Tox21_110828_1 -NCGC00357239-01 196723968 tox21-ror-cho-viability-p1 set3 4 -6.00949352 -4.33154076 -6.46925802 -4.38502471 -6.98126625 -9.00268498 -1.47043687 -2.13853241 -9.21682635 -12.42134126 0.34807424 -3.16545534 -4.1940548 -4.27179569 2.35967081 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-09-4 1032 251919690 A Propionic acid CCC(=O)O Tox21_304030 -NCGC00260228-01 196723988 tox21-ror-cho-viability-p1 set3 4 0.0019429518 16.519510384 -14.519510384 2 1.372261 0.577436439 0.1294207225 -10.43292532 -2.09759963 -2.7488277 0.05717074 1.47369664 2.93579458 2.55318264 6.33433487 3.29720803 7.22593938 -1.51495879 -2.2775146 0.10148042 -1.15607818 -3.48241914 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.961E-8 6.622E-8 1.481E-7 3.311E-7 7.4029999999E-7 0.000001655 0.000003702 0.0000082769999999 0.00001851 0.00004138 0.00009254 13311-31-4 15932798 144209878 A A 1-Butyl-2-methylpyridinium iodide [I-].Cc1cccc[n+]1CCCC Tox21_202680 -NCGC00254457-01 196720318 tox21-ror-cho-viability-p1 set3 4 10.44707497 15.40769958 -7.41922533 3.2536976 11.40486108 -0.41554551 -6.90111277 9.10038098 18.00507719 13.52126921 11.39826701 12.05294217 15.33447378 4.65743118 1.02759442 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81-81-2 54678486 144210849 A A Warfarin CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccccc3 Tox21_300531 -NCGC00244579-01 196719903 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -82.039139723 -2.153867332 -84.193007055 4.9549173134 0.9263687588 0.0000670036 -0.3164382 0.24086236 2.04082955 0.58300698 -7.30164418 3.55308079 -7.39452186 -7.82720856 -3.9334384 -7.84991751 -3.65938006 -7.83975972 7.33787407 -4.77588093 -69.20079925 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00254037-01 196719910 tox21-ror-cho-viability-p1 set3 3 76.9588215421 101.2126927044 -4.1488762815 97.0638164229 4.9549173134 0.8935759691 0.0004381254 -1.71031503 0.14764645 -4.44917857 -0.04263102 -5.8419073 -1.67109008 -1.70533362 -0.83302842 -1.80103916 -4.29469739 -4.65667612 -3.14265957 -3.52044282 -22.61472909 79.55770925 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-31-9 785 144210335 A A Hydroquinone Oc1ccc(O)cc1 Tox21_300015 -NCGC00357043-01 196724330 tox21-ror-cho-viability-p1 set3 4 -2.43272854 4.4346632 3.0420284 1.31571876 5.10310632 4.32760895 -1.34910682 -0.2668919 4.06442249 4.68725078 -2.55552635 4.40554272 -0.11894429 6.34799988 7.19870752 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17557-23-2 28594 251919689 F Neopentyl glycol diglycidyl ether CC(C)(COCC1CO1)COCC2CO2 Tox21_303734 -NCGC00163903-03 196724337 tox21-ror-cho-viability-p1 set3 4 -3.21068211 0.2342545 -0.68229586 -0.09190736 -0.54818123 -1.34265449 2.28400254 4.11899625 0.06132658 0.93316097 3.21079538 3.91628556 -1.33297904 3.31026829 -0.57367263 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00260291-01 196724339 tox21-ror-cho-viability-p1 set3 4 -7.03677327 0.86143588 3.69762033 -2.90424054 2.4312825 -2.88330189 -6.69755458 -1.48684288 -2.1541474 2.0102013 -0.13217719 1.40203599 1.0616854 3.31091756 3.22518024 5.816E-11 1.301E-10 2.908E-10 6.503E-10 1.454E-9 3.2509999999E-9 7.27E-9 1.6259999999E-8 3.635E-8 8.128E-8 1.8179999999E-7 4.064E-7 9.088E-7 0.0000020319999999 0.0000045439999999 142-73-4 8897 144209941 Fns Iminodiacetic acid O=C(O)CNCC(=O)O Tox21_202743 -NCGC00256049-01 196728982 tox21-ror-cho-viability-p1 set3 4 -13.71931748 -4.94205194 -3.69467267 6.33521755 -8.46990004 -0.88254203 -5.36289587 -7.31115129 -5.42702719 -7.39640514 -5.37538028 -4.45686396 -7.51465118 -9.90200117 -4.72725613 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5437-98-9 21576 144211798 A A N-(4-Methoxyphenyl)-3-oxobutanamide COc1ccc(NC(=O)CC(C)=O)cc1 Tox21_301481 -NCGC00255169-01 196728970 tox21-ror-cho-viability-p1 set3 -1.1 0.216899429 -84.8954280953 3.956043836 -80.9393842593 1.78848746 0.9867605437 4.3E-9 -0.31016008 3.2024059 0.50888848 5.50002596 4.97077072 -2.90462248 -24.26514372 -57.4149706 -68.41642016 -65.85962777 -80.7567499 -83.30543362 -85.37909732 -85.11165231 -82.0549045 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 54-64-8 16684434 144212493 A A Thimerosal [Na+].[O-]C(=O)c1ccccc1S[Hg]CC Tox21_302176 -NCGC00357229-01 196703310 tox21-ror-cho-viability-p1 set1 4 -0.12820802 0.72574438 1.17669852 -1.2890136 1.8062704 0.92247073 2.31783948 4.62518628 -0.11321469 -1.55300305 0 0.57356385 1.55555189 5.14079036 6.12882955 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7492-66-2 5365794 251919676 F Citral diethyl acetal CCOC(/C=C(\C)CC\C=C(/C)C)OCC Tox21_304016 -NCGC00260344-01 196702905 tox21-ror-cho-viability-p1 set1 4 0.39755238 5.1936972 4.41499097 8.32961111 6.29261415 -1.34192727 0.42041008 3.01488955 2.86635768 -3.19766514 5.00476601 2.93324769 0.59144295 5.30421029 5.73191743 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009203 143314-14-1 16211072 144209996 A 1-Ethyl-3-methylimidazolium nitrate O=[N+]([O-])[O-].C[n+]1ccn(CC)c1 Tox21_202798 -NCGC00357175-01 196703309 tox21-ror-cho-viability-p1 set1 4 40.7568290964 -21.227795716 0.5 -20.727795716 4.9549173134 0.7988513454 0.0082290483 5.01905928 1.99962618 -2.43441366 1.93466907 -0.15856816 -0.31933535 0.47726112 -2.62556873 2.21599449 0.0871305 3.17079403 -1.93649024 0.15127643 -0.0419959 -15.60649643 6.312E-10 1.4109999999E-9 3.156E-9 7.056E-9 1.578E-8 3.5279999999E-8 7.889E-8 1.764E-7 3.945E-7 8.821E-7 0.000001972 0.00000441 0.000009862 0.00002205 0.00004931 82-44-0 6709 251919953 F 1-Chloroanthraquinone O=C3c1ccccc1C(=O)c2c3cccc2Cl Tox21_303937 -NCGC00259994-01 196703315 tox21-ror-cho-viability-p1 set1 4 28.932304486 -6.1879563479 2 -4.1879563479 4.9549173134 0.3801109889 0.2938580822 2.09750719 3.64020749 0.15161647 4.66712015 1.70074576 4.04281943 -3.40098647 -1.0265562 6.83874776 0.08359124 -0.1154872 4.68473834 2.30550247 -3.81025724 -3.90663029 1.125E-9 2.516E-9 5.6259999999E-9 1.2579999999E-8 2.8129999999E-8 6.29E-8 1.4069999999E-7 3.1449999999E-7 7.033E-7 0.0000015729999999 0.000003516 0.000007863 0.000017579999999 0.00003931 0.000087909999999 34256-82-1 1988 144209643 A A Acetochlor ClCC(=O)N(COCC)c1c(C)cccc1CC Tox21_202445 -NCGC00357073-01 196703316 tox21-ror-cho-viability-p1 set1 4 2.88224762 -0.29826774 -5.03492457 -3.09521058 1.56504459 -5.6734236 -5.52967572 0.47171486 -5.14889295 3.168231 -6.56083099 4.10960256 1.64032337 3.93167025 -6.70228402 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 2167-23-9 221260 251919804 F 2,2-Bis(tert-butylperoxy)butane CC(C)(C)OOC(C)(CC)OOC(C)(C)C Tox21_303782 -NCGC00357002-01 196703317 tox21-ror-cho-viability-p1 set1 4 2.41960867 6.83313646 1.45195391 0.63068909 0.16233705 0.18058603 9.61711201 10.35206069 8.912951 -7.46298619 -0.06674237 2.89376039 -0.40719624 3.42568618 5.41016196 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 163515-14-8 13633097 251919720 A Dimethenamid-P Cc1csc(C)c1N([C@@H](C)COC)C(=O)CCl Tox21_303923 -NCGC00357099-01 196703318 tox21-ror-cho-viability-p1 set1 4 2.89569083 1.44237458 -0.58664664 -2.26385063 1.6764915 2.62311084 0.3852775 2.65797386 -1.72412992 2.62697146 -1.03816137 2.48352934 -0.35269974 -0.98422295 7.319491 1.003E-9 2.242E-9 5.014E-9 1.1209999999E-8 2.507E-8 5.6059999999E-8 1.253E-7 2.803E-7 6.267E-7 0.000001401 0.0000031339999999 0.0000070069999999 0.00001567 0.000035039999999 0.00007834 5103-71-9 12303038 251919738 Fns cis-Chlordane ClC2=C(Cl)[C@]3(Cl)[C@H]1C[C@H](Cl)[C@H](Cl)[C@H]1[C@@]2(Cl)C3(Cl)Cl Tox21_303821 -NCGC00356943-01 196703716 tox21-ror-cho-viability-p1 set1 4 -4.21315207 -0.85049215 -13.94680014 -0.59265615 -3.28080609 -15.88750631 -8.19686273 -2.65639394 -5.10134571 -1.67778537 -9.55264498 -0.65281259 -10.23126331 -9.59853324 -1.11460298 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90982-32-4 56160 251919671 Ac Chlorimuron-ethyl O=C(Nc1nc(cc(Cl)n1)OC)NS(=O)(=O)c2ccccc2C(=O)OCC Tox21_303806 -NCGC00255744-01 196701263 tox21-ror-cho-viability-p1 set1 4 -8.04586311 -4.79579379 -2.0685383 -7.72403437 -3.15358009 -3.00700327 -4.46555454 -7.58134443 -8.10838276 -8.20550445 -16.60295559 -12.53207383 1.04712122 -15.98191347 -13.51099456 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5700-49-2 21921 144212583 D A 1,2-Ethanediamine dihydriodide I.I.NCCN Tox21_302266 -NCGC00255725-01 196701246 tox21-ror-cho-viability-p1 set1 4 2.1689942904 5.3591874039 -2.3591874039 3 4.9549173134 0.4636122541 0.2132201847 -0.89814561 -0.3953846 -4.16985957 -6.13265617 -0.47286487 -4.27103167 -1.17344375 -2.79493226 -2.53451534 -2.25530252 6.8295123 2.11239585 -2.26602956 0.1757383 7.89639416 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-34-2 78950 144212442 A A Glycerol 1-allylether OCC(O)COCC=C Tox21_302125 -NCGC00255948-01 196701249 tox21-ror-cho-viability-p1 set1 4 1.7677964 -0.31338421 0.44252534 0.9692909 4.59610417 2.5235105 2.44600499 7.24539188 3.07683729 6.91569214 7.41818606 -0.02359674 1.05454077 10.16009617 4.13950059 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3026-63-9 23668353 144212418 A Sodium tridecyl sulfate [Na+].[O-]S(=O)(=O)OCCCCCCCCCCCCC Tox21_302101 -NCGC00256291-01 196701255 tox21-ror-cho-viability-p1 set1 4 1.56283405 -0.48652007 -3.67344529 -0.08397455 -3.27949651 -3.20845698 1.45932048 0.24237544 3.01150617 3.18738446 1.97957041 1.35334706 -2.56625465 -3.08592306 -3.03342606 8.258E-10 1.8469999999E-9 4.1289999999E-9 9.2329999999E-9 2.065E-8 4.616E-8 1.032E-7 2.308E-7 5.161E-7 0.0000011539999999 0.000002581 0.0000057699999999 0.0000129 0.00002885 0.00006452 28631-66-5 60196416 144211592 F C.I. Acid Blue 22 [Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)Nc2ccc(cc2)\C(=C4/C=C/C(=N\c3ccc(cc3S(=O)(=O)O)S([O-])(=O)=O)C=C4)c5ccc(N)c(C)c5 Tox21_301275 -NCGC00255748-01 196701265 tox21-ror-cho-viability-p1 set1 4 -2.27958312 -3.57058587 -3.57653539 -9.25454576 -6.63527681 -1.04077454 -1.02989626 -2.52568309 -4.4229598 -10.34633281 -9.41014782 -10.99913125 -0.436329 0.69388362 -5.82926572 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1323-38-2 6433266 144212279 F A Glyceryl monoricinoleate OCC(O)COC(=O)CCCCCCC/C=C\C[C@H](O)CCCCCC Tox21_301962 -NCGC00257892-01 196701904 tox21-ror-cho-viability-p1 set1 4 -1.21034231 -5.7027118 -4.6890071 -6.69725298 -10.25605421 -3.46882157 -12.22995611 -10.38174185 -1.21520805 -5.90142585 -7.50277414 -8.18369079 -11.72196947 -3.95977601 0.10309739 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 0.000091709999999 603-50-9 2391 144207536 A A Bisacodyl CC(=O)Oc1ccc(cc1)C(c2ccc(OC(C)=O)cc2)c3ccccn3 Tox21_200338 -NCGC00257780-01 196701500 tox21-ror-cho-viability-p1 set1 4 -0.26698474 2.90946388 -1.13842617 -0.29219641 1.67192778 3.76772976 2.17299665 -1.09750039 4.14805527 -12.10853702 -1.01594857 2.56795513 4.4616181 0.84918249 0.53185535 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.00004125 0.000092249999999 111-97-7 8151 144207424 A A 3,3'-Thiodipropionitrile N#CCCSCCC#N Tox21_200226 -NCGC00258625-01 196701898 tox21-ror-cho-viability-p1 set1 4 3.23576111 0.07083741 1.1018897 6.18026605 1.61838308 0.60280406 0.56683781 1.18925096 9.48509258 -0.8675594 1.17236927 -5.21305932 -6.47716096 4.00983411 0.19509741 1.189E-9 2.66E-9 5.9469999999E-9 1.3299999999E-8 2.9739999999E-8 6.649E-8 1.487E-7 3.325E-7 7.4339999999E-7 0.000001662 0.0000037169999999 0.000008312 0.00001859 0.00004156 0.00009293 501-53-1 10387 144208270 D Benzyl chloroformate ClC(=O)OCc1ccccc1 Tox21_201072 -NCGC00258695-01 196701900 tox21-ror-cho-viability-p1 set1 4 69.0781761974 -14.785293088 2 -12.785293088 3.6772481694 0.6281992398 0.0785968336 3.555569 0.54039627 -0.17693504 5.13524993 1.36906016 0.27005974 2.86353181 3.57756181 7.52132064 0.62776911 -0.35526697 3.11246617 -0.221391 0.26473125 -8.98774424 1.187E-9 2.6549999999E-9 5.936E-9 1.327E-8 2.968E-8 6.6359999999E-8 1.484E-7 3.318E-7 7.42E-7 0.000001659 0.0000037099999999 0.0000082959999999 0.00001855 0.000041479999999 0.000092749999999 32534-81-9 36159 144208341 I Pentabromodiphenyl ether Brc2cc(Oc1ccc(Br)cc1Br)c(Br)cc2Br Tox21_201143 -NCGC00257948-01 196701910 tox21-ror-cho-viability-p1 set1 4 -6.99844226 -10.18033972 -3.32126184 -2.64141734 -8.16282853 -8.60779902 -2.83746112 -2.77148236 -3.2424843 -4.14923282 -4.3691032 -8.39906728 -14.28237911 -3.70858864 -6.31949087 1.245E-9 2.784E-9 6.226E-9 1.392E-8 3.113E-8 6.961E-8 1.557E-7 3.481E-7 7.7829999999E-7 0.0000017399999999 0.000003891 0.000008701 0.00001946 0.000043509999999 0.00009729 31906-04-4 91604 144207592 A A 4-(4-Hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde O=CC1CC=C(CCCC(C)(C)O)CC1 Tox21_200394 -NCGC00257707-01 196702321 tox21-ror-cho-viability-p1 set1 4 0.009521287 5.5367352039 -3.5367352039 2 4.9549173134 0.5044703467 0.1767981745 0.4651255 -7.53061267 -2.94124787 1.25520536 0.75667459 1.35434044 3.37663775 0.30705896 3.60407715 0.00909323 0.77877902 1.48801812 2.1430927 3.99380051 6.5813387 1.163E-9 2.5999999999E-9 5.8139999999E-9 1.2999999999E-8 2.9069999999E-8 6.501E-8 1.454E-7 3.25E-7 7.268E-7 0.000001625 0.000003634 0.000008126 0.00001817 0.00004063 0.000090849999999 124-48-1 31296 144207351 AC Ac Chlorodibromomethane BrC(Br)Cl Tox21_200153 -NCGC00257975-01 196702328 tox21-ror-cho-viability-p1 set1 4 3.19258705 -2.33569185 -2.53822874 -0.74423192 4.20081463 4.52367987 -1.69448959 -5.79568207 -0.41076856 -0.81083135 -3.17377992 -0.77804307 2.63534513 2.07809396 0.85859024 1.187E-9 2.654E-9 5.9329999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.4829999999E-7 3.317E-7 7.417E-7 0.0000016579999999 0.000003708 0.000008292 0.00001854 0.00004146 0.000092709999999 29964-84-9 34763 144207619 B Fns Isodecyl methacrylate C=C(C)C(=O)OCCCCCCCC(C)C Tox21_200421 -NCGC00244580-01 196723509 tox21-ror-cho-viability-p1 set3 -2.2 0.5448267328 -37.689686492 18 -19.689686492 0.2 0.8023829068 0.0075748548 13.15813919 6.28164053 5.90559109 8.16658376 11.73643259 0.86382767 -2.05516165 -4.30516705 -2.66415426 -3.60040097 -1.32413952 -2.48028128 -6.10155633 -8.39834865 -14.74140541 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00015724-17 196723094 tox21-ror-cho-viability-p1 set3 4 0.2984929481 6.983974612 0.516025388 7.5 4.9549173134 0.6902138799 0.0430039263 3.16056361 0.1749743 3.34025256 -1.23664551 -0.53794383 -0.46672896 -1.15144934 -0.29096203 5.98129026 8.51060147 1.84796551 8.33817144 5.33497993 10.55352739 10.46772246 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4394-00-7 4488 170466463 A Niflumic acid FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O Tox21_110206_1 -NCGC00091009-05 196723105 tox21-ror-cho-viability-p1 set3 4 1.9481649865 -8.7996213479 1.5 -7.2996213479 1.4787409999 0.5931034027 0.1169049912 1.79164589 -1.97974193 -3.34387783 1.04030091 6.32367036 5.700112 2.72848337 0.10101928 -2.32953359 -1.62046891 -2.26518141 -8.18915279 -9.83301779 -4.14554038 -1.73116961 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00167527-03 196723501 tox21-ror-cho-viability-p1 set3 2.2 1.6785492 55.3265668062 -3.3100682399 52.0164985663 0.6 0.9294279845 0.0000536045 0.602273 -2.26443562 -1.18688263 -0.84275354 -0.8019537 -0.00973441 -0.8694616 0.72203814 17.93600068 25.27320274 28.21912139 30.28896843 29.63355438 36.89426815 53.66301934 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 161967-81-3 656829 170466148 A Grepafloxacin hydrochloride Cl.CC1CN(CCN1)c4cc2c(C(=O)C(=CN2C3CC3)C(=O)O)c(C)c4F Tox21_112524_1 -NCGC00163786-06 196723520 tox21-ror-cho-viability-p1 set3 4 0.2371013766 12.96748648 -1.46748648 11.5 4.9549173134 0.920403316 0.0001013211 -1.28195265 -2.06612113 -0.80137077 -1.36851955 -0.81945696 -2.4729054 0.76625267 -1.39813079 11.58998357 10.8023482 11.13894333 7.89037489 10.17483637 15.9197715 10.35168603 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 28434-01-7 162381 170466294 A Bioresmethrin O=C(OCc2cc(Cc1ccccc1)oc2)[C@@H]3[C@@H](/C=C(\C)C)C3(C)C Tox21_112072_1 -NCGC00344564-01 196725835 tox21-ror-cho-viability-p1 set3 4 0.25276421 2.24441185 2.59746702 5.9297104 10.09140981 8.47374942 5.55818408 8.98332871 -1.12799957 -2.56459873 6.9983821 5.67547348 2.62785905 15.77798558 -1.89605456 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 520-27-4 5281613 170466258 A Diosmin COc1ccc(cc1O)C2=CC(=O)c3c(O)cc(cc3O2)O[C@@H]5O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]5O Tox21_111392_1 -NCGC00090771-04 196725399 tox21-ror-cho-viability-p1 set3 4 -1.25793881 -3.63415896 3.8787774 -0.05633302 -0.42247468 -0.93661124 -2.57540666 -3.89233134 -2.01832899 0.98565767 1.90889122 -0.15774692 -0.89361251 0.78569124 0.12437621 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7585-39-9 444041 170466376 F beta-Cyclodextrin OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O Tox21_111017_1 -NCGC00263573-01 196725411 tox21-ror-cho-viability-p1 set3 4 -5.63555379 0 3.98930647 0.74404977 -2.9450257 -7.83738908 3.84978517 -5.12734433 -1.87528464 0.17773317 1.22889846 1.79130879 0.15010564 2.25629445 2.25847807 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62288-83-9 16051969 170465177 A Desmopressin acetate CC(=O)O.NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]4CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N4 Tox21_112740_1 -NCGC00015821-10 196725816 tox21-ror-cho-viability-p1 set3 4 2.05888688 0.11705443 -0.30641022 -3.76306525 -4.4787828 1.22465496 -6.75424266 -6.27041205 1.88187276 -6.00474914 -4.19777498 0.51043856 -4.42803791 -0.55842329 0.79927972 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7491-74-9 4843 170465901 F Piracetam O=C1CCCN1CC(=O)N Tox21_110229_1 -NCGC00090726-12 196725837 tox21-ror-cho-viability-p1 set3 4 0.026603212 -14.5641275239 -2 -16.5641275239 1.0999999999 0.715106337 0.0317389326 -10.40383013 0 0 0 -9.42322642 -13.20361698 -13.45077768 -9.8548345 -18.65735159 -12.17054363 -19.22010627 -15.268103 -16.84466613 -16.69345261 -19.17072079 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 36791-04-5 37542 170464657 Z Ribavirin NC(=O)c1ncn(n1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O Tox21_110259_1 -NCGC00015649-08 196726234 tox21-ror-cho-viability-p1 set3 4 3.62418281 2.38334597 0.28160796 2.00047326 1.2152636 4.27138799 6.16454571 6.24205409 -0.05505879 -0.02767438 8.61885135 4.95383401 0.95119987 -0.80134219 0.62958459 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 75438-57-2 4810 170466534 A Moxonidine hydrochloride hydrate COc2nc(C)nc(Cl)c2NC1=NCCN1 Tox21_110190_1 -NCGC00016605-08 196726237 tox21-ror-cho-viability-p1 set3 4 3.97671547 3.92878204 -1.08459901 1.57786574 4.76082689 -2.38732892 4.63807048 0.76801553 2.85852044 -2.27975054 -1.83161172 0.99163647 -0.6104014 1.6659618 2.48645442 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2139-47-1 4487 170466050 A Nifenazone O=C3C(NC(=O)c1cccnc1)=C(C)N(C)N3c2ccccc2 Tox21_110519_1 -NCGC00256352-01 196726669 tox21-ror-cho-viability-p1 set3 4 -0.46001649 -1.84728545 0.79340653 0.56222015 0.52206545 0.74248527 -0.27190123 -13.05998107 -27.84948162 0 0 -4.38506025 -0.64061416 1.71074362 1.91092087 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 61-82-5 1639 144213308 A Ac Amitrole Nc1ncnn1 Tox21_302991 -NCGC00017358-15 196726248 tox21-ror-cho-viability-p1 set3 4 7.4978038628 -19.9229152999 -0.5 -20.4229152999 0.5 0.8314962852 0.0038305165 0.78207555 1.00002405 -0.87801026 0.70942314 -4.09931296 -2.72887878 -4.94385212 -5.07409765 -6.53321261 -4.09636618 -5.08549708 -4.51265983 -11.78542685 -15.39309394 -16.18576275 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83-79-4 6758 170466816 B Rotenone C=C(C)[C@@H]2Oc3ccc1C(=O)[C@H]4c5cc(OC)c(OC)cc5OC[C@H]4Oc1c3C2 Tox21_110819_1 -NCGC00256770-01 196726652 tox21-ror-cho-viability-p1 set3 4 1.38196652 0.56841607 -0.98659819 -1.14291979 -0.04857595 0.18969474 2.25670142 2.84571305 -1.10737018 1.65322735 4.46620713 1.29140879 -1.13959422 0.98874792 -2.09926405 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 774-55-0 69885 144212986 A C 6-Acetyl-1,2,3,4-tetrahydronaphthalene CC(=O)c1ccc2CCCCc2c1 Tox21_302669 -NCGC00090962-05 196726653 tox21-ror-cho-viability-p1 set3 4 0.0019213289 -12.3860516279 11 -1.3860516279 0.9999999999 0.3937798592 0.2963870048 7.96826606 0.93693594 2.77711686 3.33026639 -3.05043325 0.26950299 -0.81269191 -6.57170969 -4.48257203 1.0498873 -4.55456425 0.69577339 2.13129397 2.52693247 5.34395176 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00256473-01 196727062 tox21-ror-cho-viability-p1 set3 4 1.91974915 -0.24116925 -1.33713114 0.51816109 1.85545858 -2.03885381 2.50206845 1.58506653 0.9546766 -0.47031192 3.49162593 0.70994276 0.78470854 -0.268415 -1.25790886 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-79-2 6498 144213134 A 3-Sulfolene O=S1(=O)CC=CC1 Tox21_302817 -NCGC00257314-01 196727068 tox21-ror-cho-viability-p1 set3 4 1.13076139 -0.32245862 5.25062147 0.69624647 0.43124189 0.64044288 -2.15100321 -0.18026071 0 -0.94211349 -1.07835462 0.81727972 0.52204168 0.11452304 6.8384803 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27090-63-7 94377 144213745 F Fns N,N,N',N'-Tetrabutyl-1,6-hexanediamine CCCCN(CCCC)CCCCCCN(CCCC)CCCC Tox21_303434 -NCGC00091657-02 196713228 tox21-ror-cho-viability-p1 set2 4 -0.73164802 1.64559839 2.42136833 -1.43976016 -0.08609112 -0.52056483 -0.8929771 1.81405548 -0.83076808 1.52801578 2.11939986 2.38288329 -1.18135721 2.8012278 1.8631808 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00179295-03 196713205 tox21-ror-cho-viability-p1 set2 4 2.07574037 -4.40210377 -5.53958932 -5.20537082 0.2735283 -0.06321787 2.54965235 -3.0618174 -8.76533672 -5.73589423 -6.24051076 -2.73366879 -2.38596215 -2.36249577 4.0978113 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59263-76-2 65483 170466363 A Meptazinol hydrochloride Cl.CN1CCCCC(CC)(C1)c2cccc(O)c2 Tox21_110665_1 -NCGC00253608-01 196713218 tox21-ror-cho-viability-p1 set2 4 4.72169298 -0.84466265 -0.02222721 1.60837047 1.63591113 1.53368616 0.72973095 2.22457594 0.48668041 2.88862127 1.59310865 0.32109917 2.00835417 2.03828825 -0.26325193 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2127-01-7 16473 170466039 A A Chlorexolone NS(=O)(=O)c1cc2C(=O)N(Cc2cc1Cl)C3CCCCC3 Tox21_113742 -NCGC00015368-11 196713219 tox21-ror-cho-viability-p1 set2 4 37.5780357627 -17.921263988 6 -11.921263988 0.3 0.4837021802 0.1943243117 4.90552267 9.2166902 0.84911413 7.42748317 3.87054487 4.50730031 4.99982683 -0.6154506 -0.07997871 0.87018671 4.36693203 -0.33846396 0.14675005 2.55721999 -8.26771999 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77-19-0 3042 170464896 A Dicyclomine CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2 Tox21_113571_1 -NCGC00160373-02 196713621 tox21-ror-cho-viability-p1 set2 4 -2.05257224 -2.03578013 -3.16290893 -4.53424997 -0.28315718 1.3566316 -0.50702113 -4.18529119 0.08737024 0.19391373 -2.90674055 0.58310661 1.22569392 -0.32544187 -0.10610402 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58338-59-3 42725 170466192 A Dianiline O=C(Nc1ccccc1N)c2ccc(N)cc2 Tox21_111769_1 -NCGC00255079-01 196714045 tox21-ror-cho-viability-p1 set2 4 6.851987566 7.282388136 0.717611864 8 2.7202212143 0.5152794642 0.1829284409 0.61309335 0.03040531 2.18154928 1.52985644 -0.920607 1.71691457 -1.06865678 0.71953031 0.21248319 1.07598606 3.37851025 2.8588405 14.68187993 2.9568021 2.07394311 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 101-05-3 7541 144211498 F F Anilazine Clc2nc(Nc1ccccc1Cl)nc(Cl)n2 Tox21_301181 -NCGC00254307-01 196714049 tox21-ror-cho-viability-p1 set2 4 -3.94770181 -2.47563032 -2.8938565 1.4495003 -2.38797458 -1.90737878 -3.17628246 -4.01799215 -3.7267633 -0.65611803 1.2805673 0.51111185 -4.25351887 -2.36015109 -2.71897592 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-56-0 1349907 144210850 A A Methimazole S=C1NC=CN1C Tox21_300532 -NCGC00255727-01 196710319 tox21-ror-cho-viability-p1 set2 4 -0.0743478 -5.34134152 -2.68535658 -1.23397226 -4.55458719 8.30986027 -0.31562742 -2.08785784 -1.55742673 0.13540264 -1.39352104 -3.16225347 -1.74180353 2.80963129 0.92829188 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7491-74-9 4843 144212307 A A Piracetam O=C1CCCN1CC(=O)N Tox21_301990 -NCGC00255896-01 196709907 tox21-ror-cho-viability-p1 set2 4 43.2771256911 8.3530955039 -0.8530955039 7.5 2.7202212143 0.495761669 0.1852186099 -5.71091292 -2.57008056 -0.03352489 0.02026316 0.02360008 -2.2074502 1.64237795 1.95845 -0.92589521 -2.30569128 2.32098939 1.06813183 -1.39491025 3.28514981 6.78800387 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14351-66-7 23678979 144212181 Cc Cc Sodium abietate [Na+].CC(C)C=3CC[C@H]1C(=CC[C@H]2[C@@](C)(CCC[C@]12C)C([O-])=O)C=3 Tox21_301864 -NCGC00256093-01 196709911 tox21-ror-cho-viability-p1 set2 4 0.49109766 0.17537646 -1.53530348 -1.93595668 -0.99448488 -3.05984874 -4.85662049 -9.90361085 -1.54885912 -2.87812316 -2.13701862 -2.04346076 -2.20146749 -0.72399934 -0.86568525 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 31895-22-4 35969 144212698 F Fns Thiocyclam oxalate CN(C)C1CSSSC1.O=C(O)C(=O)O Tox21_302381 -NCGC00255375-01 196709920 tox21-ror-cho-viability-p1 set2 -3 24.3365162115 -44.723965266 -0.975680418 -45.699645684 4.9549173134 0.960175359 0.0000065003 4.95322998 -2.52908667 -0.65285165 -0.54423961 -2.32746787 0.5688451 0.28001913 -0.67718189 -2.73819868 -3.69068197 -0.75999506 -4.19071594 -7.64497484 -44.8035742 8.25176495 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 42978-66-5 4128060 144211599 A I Tripropylene glycol diacrylate O=C(OC(C)COC(C)COC(C)COC(=O)C=C)C=C Tox21_301282 -NCGC00256024-01 196710321 tox21-ror-cho-viability-p1 set2 4 -8.84276875 -1.28128344 -1.5314739 -0.70146386 -0.47923556 0.02012133 0.86139884 -0.23140172 0.36569363 -0.86652333 -0.22919738 -0.72674431 -0.7522127 -0.17765156 -0.11724799 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-45-6 8432 144212663 A A 1-Phenylethyl propionate CCC(=O)OC(C)c1ccccc1 Tox21_302346 -NCGC00256098-01 196710322 tox21-ror-cho-viability-p1 set2 4 -0.34446954 -1.15504375 -2.3374859 -0.19357796 -2.11956674 -0.2780114 -5.27803414 -8.92929745 0.18279899 -3.73039788 -0.8459601 -1.18257893 -4.16502503 -1.03720348 -2.35680976 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-17-5 67060 144212015 A A 3-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid O=S(=O)(O)c1cccc(c1)N2N=C(C)CC2=O Tox21_301698 -NCGC00258786-01 196711385 tox21-ror-cho-viability-p1 set2 4 1.59642508 -0.71581686 0.03766278 0.20345113 -0.952702 2.24983693 -0.38933525 1.66436196 0.17325915 -9.4120673 0.88269519 2.41041328 2.73080584 2.74341547 1.62341776 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.000018359999999 0.000041049999999 0.000091779999999 17804-35-2 28780 144208432 A A Benomyl O=C(OC)Nc2nc1ccccc1n2C(=O)NCCCC Tox21_201234 -NCGC00255699-01 196710981 tox21-ror-cho-viability-p1 set2 -2.1 30.6378586933 -99.237674482 1.9851407329 -97.2525337491 0.6 0.9375836504 0.0000279112 -0.28412283 2.72198441 6.24223553 0.27474114 2.2670795 -0.16568679 -0.36428081 -4.68587263 -10.64801907 -13.63156265 -24.36907106 -32.34360281 -37.76729823 -36.62763981 -74.05494981 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 555-60-2 2603 144212383 A A Carbonyl cyanide chlorophenylhydrazone Clc1cc(N\N=C(/C#N)C#N)ccc1 Tox21_302066 -NCGC00260150-01 196711391 tox21-ror-cho-viability-p1 set2 2.4 69.0781761974 27.4655969361 0.0344030639 27.5 3.6272481694 0.9387520135 0.0000255357 1.28172398 -0.70919783 -2.06234461 0.98402491 -0.81238547 -2.47133078 -0.11193853 -0.41464707 1.98873046 0.80814125 2.0551715 1.49574896 0.13458088 3.79747154 20.44009881 1.187E-9 2.6549999999E-9 5.936E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.3189999999E-7 7.42E-7 0.000001659 0.0000037099999999 0.0000082959999999 0.00001855 0.000041479999999 0.00009276 153-18-4 5280805 144209800 A A Rutin trihydrate Oc1ccc(cc1O)C=4Oc5cc(O)cc(O)c5C(=O)C=4O[C@@H]3O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]3O Tox21_202602 -NCGC00260019-01 196711393 tox21-ror-cho-viability-p1 set2 4 -0.51416865 -5.82298914 -3.90250882 -4.91040113 -1.16105242 0 -4.2789055 -15.39144101 -5.90003802 -5.41973904 0.5188387 -11.31392221 -17.03637767 -2.50649068 -3.19825866 5.736E-10 1.283E-9 2.8679999999E-9 6.413E-9 1.434E-8 3.206E-8 7.17E-8 1.603E-7 3.585E-7 8.016E-7 0.000001792 0.0000040079999999 0.000008962 0.000020039999999 0.00004481 35065-27-1 37034 144209668 A A 2,2',4,4',5,5'-Hexachlorobiphenyl Clc2cc(c1cc(Cl)c(Cl)cc1Cl)c(Cl)cc2Cl Tox21_202470 -NCGC00091775-03 196710166 tox21-ror-cho-viability-p1 set2 4 -2.07864187 -6.47655711 -5.41279548 -1.95514529 -4.58301367 -4.61714559 -6.02180613 -4.92901915 1.43911859 -0.41536775 -3.08188743 -5.78431323 -12.04979626 -9.64065085 -8.84204916 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00259878-01 196709347 tox21-ror-cho-viability-p1 set2 4 5.91757789 1.97630488 -0.49528418 2.89796737 -0.56332078 1.63777095 1.07170866 2.24497489 2.28447606 1.13731076 2.78518075 -1.32059627 5.55480108 2.88367385 3.99461282 1.1859999999E-9 2.651E-9 5.929E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008286 0.00001853 0.000041429999999 0.00009264 98-51-1 7390 144209527 AC Ac 4-tert-Butyltoluene Cc1ccc(cc1)C(C)(C)C Tox21_202329 -NCGC00259623-01 196709756 tox21-ror-cho-viability-p1 set2 4 21.8223555187 16.4293815439 -0.4293815439 16 4.0949729863 0.715625878 0.0395858474 -2.66708963 -7.02448462 2.39849798 1.41525175 3.72248605 0.19373777 0.50452895 -3.43033893 1.28065257 -0.31100516 0.38123006 0.06686893 5.6785565 14.71110908 4.36921252 1.1859999999E-9 2.6519999999E-9 5.929E-9 1.326E-8 2.964E-8 6.629E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.0000037059999999 0.000008286 0.00001853 0.000041429999999 0.00009264 111-44-4 8115 144209272 D Bis(2-chloroethyl) ether ClCCOCCCl Tox21_202074 -NCGC00258913-01 196709758 tox21-ror-cho-viability-p1 set2 4 0.0937152 3.84280432 -0.01943252 4.43311352 -1.76958335 1.37287573 1.46308007 -1.55605377 -0.90150071 -1.62465309 2.87345289 3.37518507 4.48350245 1.89869599 0.33274629 1.198E-9 2.679E-9 5.989E-9 1.339E-8 2.995E-8 6.696E-8 1.497E-7 3.3479999999E-7 7.487E-7 0.0000016739999999 0.0000037429999999 0.000008371 0.000018719999999 0.00004185 0.00009359 760-23-6 12971 144208559 AC Fc 3,4-Dichloro-1-butene C=CC(Cl)CCl Tox21_201361 -NCGC00256210-01 196710181 tox21-ror-cho-viability-p1 set2 4 6.26561179 2.49768586 1.98526586 2.18568256 1.10469739 0.40343799 -1.64760133 -1.71039144 -1.33461435 0.16868885 2.55543296 -1.17125777 3.76797247 -1.63599849 1.18863541 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2156-96-9 16541 144212056 A Fc Decyl prop-2-enoate C=CC(=O)OCCCCCCCCCC Tox21_301739 -NCGC00255567-01 196710182 tox21-ror-cho-viability-p1 set2 4 2.03786702 0.97089766 0.32789153 -1.13946643 2.33869184 -0.28182811 -0.62421516 3.44774784 -1.90842265 0.75708929 -1.91274819 -0.91905147 2.121558 2.50306548 -0.48834669 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6259-76-3 14205677 144211698 A F Hexyl salicylate O=C(O)c1ccccc1OCCCCCC Tox21_301381 -NCGC00163953-03 196710183 tox21-ror-cho-viability-p1 set2 -3 64.8164987557 -38.9563981079 0 -38.9563981079 3.9899729863 0.9318237895 0.0000448377 -4.29509359 6.62086978 -0.26904671 -0.25279208 -1.29027787 0.57213167 0.55740566 -1.64415421 -0.80183116 0.92314774 0.49746007 -0.69516076 -1.91082542 -6.55907407 -32.46366509 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00256069-01 196710187 tox21-ror-cho-viability-p1 set2 4 0.3857077887 4.938949076 -5.438949076 -0.5 4.9549173134 0.6345102133 0.0749307773 -6.96080914 -5.52213358 -0.421761 -4.64760504 -6.27659097 -8.69912423 -4.37040558 -4.46116422 0.72696954 -0.26022309 -1.14066371 1.80578104 -1.14791268 -0.12103437 -1.93637417 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6701-13-9 81196 144212120 A Ac 1,10-Decanediol dimethacrylate C=C(C)C(=O)OCCCCCCCCCCOC(=O)C(=C)C Tox21_301803 -NCGC00255399-01 196727864 tox21-ror-cho-viability-p1 set3 4 0.31613907 -4.11347637 -2.28980462 -5.1614769 2.78596003 4.08636293 8.80504563 -11.96574885 0.23182757 -6.08307503 9.29243654 11.18903366 -4.90317148 -3.0488362 4.91770434 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81-54-9 6683 144211843 A A Purpurin O=C2c1ccccc1C(=O)c3c2c(O)cc(O)c3O Tox21_301526 -NCGC00255642-01 196727850 tox21-ror-cho-viability-p1 set3 4 0.0544826733 -7.328379644 5 -2.328379644 4.9549173134 0.4134021786 0.2595382903 0.60138146 6.89492326 5.10802106 4.61141915 7.3160642 -0.86824877 -7.71880314 4.57666601 0.50728691 -3.0155326 -10.69031637 -3.84754815 -3.39269421 3.63560206 0.01831664 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 710-04-3 61204 144212645 D B Undecanoic delta-lactone O=C1CCCC(CCCCCC)O1 Tox21_302328 -NCGC00255360-01 196727847 tox21-ror-cho-viability-p1 set3 4 1.64173311 -3.47221599 13.50123754 -0.43391929 -2.40049815 10.85133951 -6.93522057 -4.11973094 -3.23676959 1.05868458 -4.72707463 -0.32537468 6.78936252 11.34910777 4.36138928 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 150-69-6 9013 144211657 A A Dulcin CCOc1ccc(cc1)NC(N)=O Tox21_301340 -NCGC00255999-01 196727861 tox21-ror-cho-viability-p1 set3 4 0.53284731 -2.22011773 -2.3712801 -0.01521874 -1.34732008 4.63824489 20.51373192 7.21319463 -0.10067628 6.33993293 0.17267932 -0.08942249 6.95631063 2.25733062 5.78957434 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2163-00-0 16551 144212438 A Ac 1,6-Dichlorohexane ClCCCCCCCl Tox21_302121 -NCGC00255730-01 196727865 tox21-ror-cho-viability-p1 set3 4 0 0.2761569 0.25624412 -1.8551564 -1.38049012 4.93556984 5.15110853 4.56407667 2.38534152 3.1363235 6.07553826 -0.0630653 -2.98403313 -3.83381604 -0.60124418 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-87-8 8995 144211808 A A 3-[Ethyl(phenyl)amino]propanenitrile CCN(CCC#N)c1ccccc1 Tox21_301491 -NCGC00255109-01 196727867 tox21-ror-cho-viability-p1 set3 -1.1 21.6899429044 -82.0193968321 -1.844996269 -83.8643931011 4.5044702849 0.9840629256 1.27E-8 -6.72653317 5.2421913 -3.94994751 -0.2154634 -0.79454811 2.7348689 2.35696646 -1.27585774 -2.33721239 -5.28594363 -3.70819423 -6.1811207 -30.89864285 -83.20777139 -79.9026689 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 35691-65-7 61948 144212268 C A 1,2-Dibromo-2,4-dicyanobutane N#CCCC(Br)(CBr)C#N Tox21_301951 -NCGC00259112-01 196722114 tox21-ror-cho-viability-p1 set3 4 6.013725165 10.6863439039 -10.8335795799 -0.147235676 1.24751 0.5145038449 0.1827358249 -15.05563783 -6.74963126 -15.24331579 -5.21234153 -7.91877488 -8.63179498 -15.69464965 -15.6182107 -8.0375192 -7.49601937 -8.12135029 -4.39263702 -2.01800781 -0.95602973 -7.45647227 1.164E-9 2.603E-9 5.8199999999E-9 1.301E-8 2.91E-8 6.507E-8 1.4549999999E-7 3.254E-7 7.275E-7 0.0000016269999999 0.0000036379999999 0.000008134 0.00001819 0.00004067 0.00009094 94-11-1 7173 144208761 A F 2,4-D isopropyl ester Clc1cc(Cl)ccc1OCC(=O)OC(C)C Tox21_201563 -NCGC00259031-01 196721718 tox21-ror-cho-viability-p1 set3 4 -4.83435188 -2.10262434 -1.77315288 -5.45945314 1.55624439 -4.84648251 -2.07045949 -0.63446411 -4.64092353 -3.81179555 -5.33241692 -2.4502725 -1.02356593 -4.30667091 -7.91326942 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.000091989999999 538-23-8 10850 144208678 A F Tricaprylin O=C(CCCCCCC)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC Tox21_201480 -NCGC00259832-01 196722107 tox21-ror-cho-viability-p1 set3 4 19.3311819617 12.681076832 -2.681076832 10 4.9549173134 0.7562797546 0.0177895708 -4.11382222 0.95518382 -0.30331711 -7.65089736 -4.08520757 -0.63264248 -4.64104816 -3.53808015 -3.24690032 1.97211285 -1.70911139 -2.33209728 2.78122843 11.18519318 8.18657566 1.18E-9 2.6389999999E-9 5.9009999999E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.299E-7 7.376E-7 0.000001649 0.000003688 0.0000082469999999 0.00001844 0.000041229999999 0.0000922 109-09-1 7977 144209481 AC Ac 2-Chloropyridine Clc1ccccn1 Tox21_202283 -NCGC00259015-01 196722108 tox21-ror-cho-viability-p1 set3 4 -5.01403824 -4.31812426 -4.27151098 2.23011933 1.72298733 -4.30600097 -4.56364804 -3.50796519 -2.94775497 -2.1227619 -5.2987887 -3.43135169 -5.83663019 3.97788255 1.56901143 1.183E-9 2.645E-9 5.913E-9 1.322E-8 2.9569999999E-8 6.611E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.0000082639999999 0.00001848 0.00004132 0.0000924 99-99-0 7473 144208662 A A 4-Nitrotoluene Cc1ccc(cc1)[N+](=O)[O-] Tox21_201464 -NCGC00259946-01 196722118 tox21-ror-cho-viability-p1 set3 4 77.4286392264 -18.3834916679 -2 -20.3834916679 0.5 0.3989817795 0.273545478 -5.23184066 -4.2692476 -5.25704768 6.8230758 3.12636767 -5.52302745 -2.66248158 -5.70822031 -5.88661609 -1.56318399 -6.27454417 -8.9696127 -6.53507038 -5.04562748 -15.31957639 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 148-79-8 5430 144209595 A A Thiabendazole n1c3ccccc3nc1c2cscn2 Tox21_202397 -NCGC00259083-01 196722125 tox21-ror-cho-viability-p1 set3 4 27.4171332585 9.028237324 -2.028237324 7 4.9549173134 0.4682755019 0.2269738613 4.08556338 -3.78138612 -3.10376388 -0.03243788 -3.33225637 -2.05826201 -5.22578783 -5.44019777 -2.72877235 -1.33575267 -0.93797556 -0.50322888 -1.42598962 6.32521323 0.00548465 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.96E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 123-07-9 31242 144208731 A Ac 4-Ethylphenol CCc1ccc(O)cc1 Tox21_201533 -NCGC00091253-05 196722512 tox21-ror-cho-viability-p1 set3 4 -0.13113264 -1.87717892 -1.68486589 0.90346732 -0.11998312 -0.60379791 -1.22046009 -1.33223185 -2.46993835 -8.47150461 -6.38115872 -8.90544359 -8.67483163 -5.33472588 6.3658967 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00090789-02 196724140 tox21-ror-cho-viability-p1 set3 4 -5.11187418 -5.87138367 0.50413685 -6.42486268 -4.98258358 0.05506097 -2.69131574 -1.04400265 -2.25083356 0.23355518 -0.59738831 1.50182347 0.74596853 0.43196332 2.57274038 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00260553-01 196723721 tox21-ror-cho-viability-p1 set3 4 -11.36054911 -1.06550813 -9.74187884 -2.48097334 -5.69131548 -9.32949277 3.52561762 -1.337692 -4.9442763 -5.03967567 5.09526983 -8.48558354 -6.75841079 -0.71342896 3.76407195 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49449 144210206 M M NTP Mix61 CT1 62-EQP Tox21_203008 -NCGC00260072-01 196723730 tox21-ror-cho-viability-p1 set3 4 2.34617159 -6.83613064 -3.5566048 -1.23183665 4.13765596 3.34325235 2.07431718 -5.01435993 2.29173497 0.47690534 1.13229949 -0.04381283 0.60957813 3.00015421 6.58218018 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.566E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.000008207 0.00001835 0.00004103 0.00009176 67-56-1 887 144209721 FNS Methanol CO Tox21_202523 -NCGC00260574-01 196724128 tox21-ror-cho-viability-p1 set3 4 -2.88669659 -2.19702292 3.88378492 0.39342357 -1.98254176 0.5747193 3.78356954 2.83250143 4.29880057 4.60846713 -4.06092417 0.64887852 0.74667652 2.89667916 3.12892763 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49470 144210227 M M NTP Mix52 CT1 3-EQP Tox21_203029 -NCGC00160556-02 196722913 tox21-ror-cho-viability-p1 set3 -3 29.8492948118 -42.216127092 5 -37.216127092 4.9549173134 0.9128577457 0.0001607486 2.60112392 0.96332275 7.82841575 4.84574376 3.6815536 5.05476581 3.5680585 5.81211223 0.3185993 5.54411846 11.09601437 9.4092741 1.49216732 -0.33251494 -32.68010591 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 22662-39-1 31475 170466601 Z Rafoxanide Clc2cc(ccc2Oc1ccc(Cl)cc1)NC(=O)c3cc(I)cc(I)c3O Tox21_111896_1 -NCGC00160537-04 196722499 tox21-ror-cho-viability-p1 set3 4 0.0243365162 7.428621948 -7.928621948 -0.5 4.9549173134 0.3777278102 0.2937801599 -10.22176466 2.39238619 -13.69051829 -9.37184235 -2.37523515 0 -0.55108512 0 3.80100631 2.25231989 4.15742281 -1.34140426 -4.4922291 -5.98627693 -2.48480965 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00262926-01 196722507 tox21-ror-cho-viability-p1 set3 -3 29.8492948118 -63.2887814905 3.5196544505 -59.76912704 4.0949729863 0.9568489198 0.0000037367 6.15019938 5.88517968 0.82565386 -2.85800452 3.20040777 3.71176226 0.4856639 0.82957841 8.96597179 5.38391574 4.93941726 5.90171408 0.4807403 -7.54773 -50.6409392 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4274-38-8 2734678 170466706 F Fns 2-Amino-4-(trifluoromethyl)benzenethiol hydrochloride Cl.Nc1cc(ccc1S)C(F)(F)F Tox21_113922 -NCGC00164606-02 196722905 tox21-ror-cho-viability-p1 set3 4 0.26603212 -5.1723139919 -0.5 -5.6723139919 4.9549173134 0.6061470952 0.1080704482 -1.62486896 -0.57785952 -1.29575893 -0.4643215 -1.43493808 -0.44689538 0.21257226 0.25300937 -5.45730592 -6.42180978 -1.68680751 -2.95856243 -10.56026166 -6.43927356 3.09101406 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14368-24-2 26650 170466452 A Trocimine COc1cc(cc(OC)c1OC)C(=O)N2CCCCCCC2 Tox21_112228_1 -NCGC00182060-03 196722920 tox21-ror-cho-viability-p1 set3 -2.1 29.8492948118 -83.3549701123 3.4126955084 -79.9422746039 4.0949729863 0.8753429746 0.0009454434 23.87752766 12.77031615 4.69447059 4.24729119 3.82212083 -1.41003353 1.51434492 -0.37466671 1.93032347 5.51614166 -2.45686022 -3.56929055 -4.34955344 -11.68802064 -67.86856217 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16777-42-7 5489012 170465929 A l-Oxyfedrine hydrochloride Cl.COc1cc(ccc1)C(=O)CCN[C@@H](C)[C@H](O)c2ccccc2 Tox21_112976_1 -NCGC00160590-03 196723320 tox21-ror-cho-viability-p1 set3 4 0.1496008549 -20.018675972 9.5 -10.518675972 3.9294729863 0.7165158996 0.0310624241 0 13.51085277 13.40765769 8.31121202 0 14.71536722 15.16445584 -3.10230439 -12.39188627 -8.67018031 -18.76556331 -3.48156186 -16.56534148 -11.79623345 -1.4457593 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1146-98-1 14369 170466392 F Bromindione Brc1ccc(cc1)C3C(=O)c2ccccc2C3=O Tox21_111919_1 -NCGC00016362-05 196723327 tox21-ror-cho-viability-p1 set3 4 -12.5591676 -15.00777925 -10.99512301 -19.36916665 -18.87053359 -13.71124525 0 0 -3.74475494 -7.20431335 -6.9934533 -11.94836772 -14.62421941 -11.85799579 -6.42209409 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104-31-4 7699 170465391 A Benzonatate O=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c1ccc(NCCCC)cc1 Tox21_110398_1 -NCGC00163903-03 196723334 tox21-ror-cho-viability-p1 set3 4 0.91555738 -4.0824268719 0.5 -3.5824268719 4.9549173134 0.3632282023 0.3265509176 -4.01853833 -0.6285913 0.56397505 -0.6738197 1.45889931 0.99347451 0.80603603 5.2471899 -0.67507675 -5.71593524 0.40296244 -7.56868906 -3.07834774 -1.82152491 6.83059541 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00263548-01 196723338 tox21-ror-cho-viability-p1 set3 4 7.4978038628 6.735844628 0.264155372 7 4.9549173134 0.3637076526 0.3083360557 7.39335034 -2.01236405 -0.50582633 3.30517608 0.81612002 -1.04521639 3.30935198 -0.13428983 -2.69951552 3.6827229 -5.19653719 -2.72533228 6.59191219 4.32720587 8.40574989 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 18556-44-0 5388983 170464977 A VINBLASTINE SULFATE O=S(=O)(O)O.O=C(OC)[C@@]2(C[C@@H]4C[C@@](O)(CC)C[N@](CCc1c3ccccc3nc12)C4)c5cc9c(cc5OC)N(C)[C@@H]6[C@]98CCN7CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]6(O)C(=O)OC)[C@H]78 Tox21_112735_1 -NCGC00259217-01 196706884 tox21-ror-cho-viability-p1 set1 4 0.019488559 3.925637088 -3.925637088 0 4.9549173134 0.3470791223 0.3268442567 -4.3272003 -0.04243945 -2.996243 -8.27136424 4.42777286 -1.71107726 -1.86224561 -0.24699056 1.81236166 -0.98066521 -0.14412542 0.03037648 1.52708137 1.09345175 -1.32965616 1.188E-9 2.657E-9 5.942E-9 1.3289999999E-8 2.971E-8 6.6429999999E-8 1.4849999999E-7 3.3219999999E-7 7.427E-7 0.0000016609999999 0.000003714 0.000008304 0.00001857 0.00004152 0.00009284 553-26-4 11107 144208866 A A 4,4'-Bipyridine c1cc(ccn1)c2ccncc2 Tox21_201668 -NCGC00256529-01 196707680 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -61.915252112 0.813015086 -61.102237026 4.9549173134 0.987807655 2.7E-9 -1.77033568 2.18553404 -0.16320328 0.58220882 0.60950125 1.240569 2.02089395 -0.41718118 0.39403871 2.14272287 -0.39083441 1.14052585 -1.50912346 -1.04570615 -49.6843151 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-14-6 5280793 144213069 F F Ergocalciferol C=C3CC[C@H](O)C\C3=C\C=C1/CCC[C@]2(C)[C@H](CC[C@@H]12)[C@H](C)/C=C/[C@H](C)C(C)C Tox21_302752 -NCGC00256782-01 196708106 tox21-ror-cho-viability-p1 set1 4 2.1962018 1.14794651 4.73054459 1.30847666 4.3633477 0.7003821 -1.12806536 2.46042156 7.20407362 3.09049406 2.79618587 2.46992372 3.49725132 2.97987116 3.81802416 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 13851-11-1 107217 144212888 A Ac Fenchyl acetate CC(=O)OC2C(C)(C)C1CCC2(C)C1 Tox21_302571 -NCGC00091088-05 196707283 tox21-ror-cho-viability-p1 set1 4 68.5896218971 14.381552304 0.618447696 15 2.4063783767 0.6768995151 0.050109247 0.16370913 5.36621914 0.65271136 0.68406645 -0.31272915 2.20154712 -1.98462692 -0.86058973 -0.98714872 2.14761848 -0.36118183 -1.31257536 3.02824783 3.29428546 10.8733772 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00256910-01 196707279 tox21-ror-cho-viability-p1 set1 4 -0.812241 1.70749454 0.80594036 0.8384396 -3.11520927 -1.74213252 0.14475683 -2.92123424 0.21163427 -6.6054618 -1.73592924 2.28166438 -3.99360666 0.06283328 1.57846003 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4265-16-1 61341 144212765 A F 2-Benzofurancarboxaldehyde O=Cc1cc2ccccc2o1 Tox21_302448 -NCGC00256706-01 196707280 tox21-ror-cho-viability-p1 set1 4 0.0068519876 -7.553527388 -5.191226688 -12.744754076 4.9549173134 0.4535587908 0.2391991755 -5.74996676 -4.32602224 -7.60750256 -13.43231434 -13.54337262 -9.74153231 -9.94497086 -12.86211448 -18.6495619 -10.32596923 -18.95396173 -13.61849726 -8.40489956 -8.98710566 -9.02936167 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.593E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 38205-60-6 520888 144212884 A A 5-Acetyl-2,4-dimethylthiazole O=C(C)c1sc(C)nc1C Tox21_302567 -NCGC00256444-01 196707293 tox21-ror-cho-viability-p1 set1 4 -9.04034359 -11.00597355 -10.90298567 -12.74282579 2.49101838 -25.71404761 -1.08041929 -0.23285846 -14.29457237 -10.51673657 -17.39399018 -8.78729111 -12.95244904 -17.70034011 -20.17187005 1.026E-9 2.295E-9 5.132E-9 1.148E-8 2.5659999999E-8 5.7379999999E-8 1.283E-7 2.8689999999E-7 6.4149999999E-7 0.000001434 0.0000032069999999 0.0000071719999999 0.00001604 0.00003586 0.00008018 126-72-7 31356 144213284 A F Tris(2,3-dibromopropyl) phosphate BrCC(Br)COP(=O)(OCC(Br)CBr)OCC(Br)CBr Tox21_302967 -NCGC00257403-01 196707296 tox21-ror-cho-viability-p1 set1 4 2.82185482 1.08273012 0.7489448 2.22312496 1.34479311 -0.01176983 4.47121056 6.35770746 4.8650175 1.8502621 -1.33361513 5.85617507 5.36609965 0.2890301 8.12986706 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1490-04-6 1254 144213774 A A Menthol CC(C)C1CCC(C)CC1O Tox21_303464 -NCGC00257265-01 196707299 tox21-ror-cho-viability-p1 set1 4 -2.55918333 0.42022007 -8.08626134 2.35738083 -0.10796297 -10.49595759 -0.66219271 -11.13281551 -13.35273933 2.24255913 2.90045388 -2.75810196 -8.02185023 1.02471488 -11.93153561 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25550-98-5 16212880 144213833 F F Diisodecylphenyl phosphite CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1 Tox21_303526 -NCGC00256860-01 196707705 tox21-ror-cho-viability-p1 set1 4 3.84589836 4.1938684 5.76425725 -1.26501816 3.26062269 2.26334431 2.52396141 -0.14468494 2.8922644 5.63496746 -3.50579424 6.18025254 -0.13421897 -2.33212222 4.67844038 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1438-94-4 15037 144212921 A A 1-Furfurylpyrrole c2cn(Cc1ccco1)cc2 Tox21_302604 -NCGC00015675-08 196708111 tox21-ror-cho-viability-p1 set1 4 5.21567074 1.88262367 3.49872045 0.02358172 3.88989313 3.22543399 -1.32010874 0.35682153 7.46418522 3.84504666 4.80325493 0.84811297 4.37914903 6.86761984 10.84276219 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00160537-04 196708108 tox21-ror-cho-viability-p1 set1 4 0.0030637859 -18.934930048 4 -14.934930048 0.9999999999 0.5630312367 0.125237623 0.01786313 -8.63519793 -3.86957186 -15.06586212 -12.61359107 -13.36872528 -11.52376356 -17.15344377 -14.59821907 -17.25867167 -21.19577504 -8.1497823 -18.47981357 -12.42860494 -11.27229886 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00256309-01 196728272 tox21-ror-cho-viability-p1 set3 4 2.4336516212 13.401623344 -4.401623344 9 4.9549173134 0.6725226827 0.0619143991 3.2532786 -4.97487228 -3.64042711 0.17399352 -1.92181382 -10.33468612 -7.74778574 -4.0527962 -5.03155905 -6.43236124 10.34575592 1.54813493 12.4559845 11.58126772 -1.995946 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5536-61-8 3255932 144211953 A Sodium methacrylate [Na+].C=C(C)C([O-])=O Tox21_301636 -NCGC00163927-04 196727869 tox21-ror-cho-viability-p1 set3 4 1.33560578 4.86754775 -10.89880813 -12.92657067 3.41054437 -2.16914329 -1.53435465 2.38240148 -1.28312679 6.28586314 3.11060352 1.81783063 -0.21970964 -6.20011708 -6.22936869 1.203E-9 2.6889999999E-9 6.014E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003759 0.000008404 0.000018789999999 0.00004202 0.000093959999999 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00256087-01 196728287 tox21-ror-cho-viability-p1 set3 4 0.0048557734 7.401391536 -3.901391536 3.5 0.4 0.3740161402 0.3026557093 -2.41782628 0.69819526 0.25516624 0.55475016 0.71172078 2.25267565 1.72143024 1.39227655 1.75270761 2.92949317 3.10446895 1.47893295 9.46052393 0.56683267 2.33801669 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27858-32-8 60196424 144212104 F Titanium(4+) bis[(2E)-4-oxohex-2-en-2-olate] dipropan-2-olate CC(C)O[Ti](OC(/C)=C/C(=O)OCC)(OC(C)C)OC(\C)=C\C(=O)OCC Tox21_301787 -NCGC00091011-05 196728681 tox21-ror-cho-viability-p1 set3 2.2 30.6378586933 53.6555481855 1.4047925169 55.0603407024 2.7867712143 0.980894223 3.65E-8 -0.7369522 0.55393156 2.18729439 -1.01764457 0.03719389 2.13321719 -0.98896682 3.03853586 3.48888987 1.98184272 3.09446353 0.30103552 14.77220643 36.41387606 57.72269542 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00256035-01 196728693 tox21-ror-cho-viability-p1 set3 1.4 0.0017228934 16.4055662119 -15.4055662119 1 4.9549173134 0.7489794892 0.0200024266 -13.25463851 -0.79078413 0.60235231 1.22212602 1.87658134 -0.42072843 1.64196895 3.37540987 4.82086785 3.37941031 4.31877143 -2.62956662 -1.7824999 -0.57678801 -0.31459735 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 38661-72-2 53172 144211978 F F 1,3-Bis(isocyanatomethyl)cyclohexane O=C=N\CC1CCCC(C\N=C=O)C1 Tox21_301661 -NCGC00256194-01 196728695 tox21-ror-cho-viability-p1 set3 4 1.868737 -2.49108177 2.30683276 -0.36143649 6.72086665 1.10885765 3.91916154 0.22456388 0.58316975 4.16879272 0.65676283 -0.09373111 1.52798303 -1.16381538 1.5249069 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 495-40-9 10315 144212662 A A Butyrophenone O=C(CCC)c1ccccc1 Tox21_302345 -NCGC00255485-01 196729098 tox21-ror-cho-viability-p1 set3 -2.2 54.4826732819 -62.9699081483 -2.062079304 -65.0319874523 2.7202212143 0.9598819975 0.0000024927 -0.6791824 -2.2335173 -1.83791333 -3.8817376 0.49289561 -0.08098106 -1.41837579 -7.04342097 2.94504497 -5.14414723 -0.14495524 -7.75598194 -5.70836862 -21.88914798 -52.67574807 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5836-10-2 22094 144212231 A A Chloropropylate OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(=O)OC(C)C Tox21_301914 -NCGC00255687-01 196729095 tox21-ror-cho-viability-p1 set3 4 5.4482673282 18.357921188 -0.357921188 18 4.9549173134 0.6842650592 0.0551663922 -3.32884718 -5.44709226 -2.21546448 -0.46749834 2.27473103 5.53481134 8.72018901 -8.63160099 0.0853345 5.2809126 -2.04295495 21.54886894 15.18622403 15.9798555 2.59677841 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13254-34-7 83268 144212265 A A 2,6-Dimethyl-2-heptanol CC(C)(O)CCCC(C)C Tox21_301948 -NCGC00255390-01 196729097 tox21-ror-cho-viability-p1 set3 4 -0.28215433 9.49510686 -4.13367509 -7.07501201 1.86761899 -8.60916081 2.55304194 4.4773536 -3.90550918 -4.53925432 6.64252257 7.95650241 -4.08702771 2.50031684 9.02463875 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13472-08-7 93079 144211731 A F 2,2'-Azobis(2-methylbutanenitrile) CC(CC)(/N=N/C(C)(CC)C#N)C#N Tox21_301414 -NCGC00255527-01 196729115 tox21-ror-cho-viability-p1 set3 4 3.03657181 0.41565063 -2.78072385 -0.66623451 -1.46257318 -0.57099054 1.82556655 1.82707933 0.99024335 1.15842976 2.83029754 -6.54093981 -1.6327629 -6.78346203 -6.2617887 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4707-47-5 78435 144211984 A A Methyl 2,4-dihydroxy-3,6-dimethylbenzoate Oc1cc(C)c(C(=O)OC)c(O)c1C Tox21_301667 -NCGC00258720-01 196729513 tox21-ror-cho-viability-p1 set3 4 1.1675212 -3.294242 -2.55694494 -6.83920541 -1.35295655 -2.02701771 2.17528805 -2.20350349 -2.30101926 3.01954958 -0.54706117 -2.03175425 -0.46169708 1.90635362 0.99646266 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 75-15-0 6348 144208366 Carbon disulfide S=C=S Tox21_201168 -NCGC00167492-03 196723361 tox21-ror-cho-viability-p1 set3 -2.2 33.4914596268 -59.7419628119 -2.7766554469 -62.5186182588 2.7202212143 0.9222436304 0.0000891959 -2.53553593 0.40396488 0.33978726 0.26513311 -2.12802265 -2.19076691 -0.67558864 -0.0952912 -4.85428805 -2.98087319 -8.51363573 -7.34754563 -11.26676157 -12.64423879 -47.36258959 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 132866-11-6 157917 170465587 A Lercanidipine hydrochloride Cl.CC=3NC(C)=C(C(C=3C(=O)OC(C)(C)CN(C)CCC(c1ccccc1)c2ccccc2)c4cccc(c4)[N+]([O-])=O)C(=O)OC Tox21_112493_1 -NCGC00065890-05 196697990 tox21-ror-cho-viability-p1 set1 4 2.02792429 2.28962515 1.72692718 -1.41375595 4.41199761 -0.91731059 2.65529245 8.02278135 -0.79408131 -1.03950212 -3.89729764 3.89747335 1.99414803 0.5932251 2.5450046 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 129618-40-2 4463 170464869 A Nevirapine O=C3Nc1c(C)ccnc1N(C2CC2)c4ncccc34 Tox21_110982_1 -NCGC00016013-06 196698390 tox21-ror-cho-viability-p1 set1 4 0.98159713 3.75402744 0.06055819 -0.84312031 1.19998735 -0.21745013 4.33200297 0.63771138 0.86796746 0.45668457 3.37633885 4.41051111 -0.47181545 0.36627066 -4.80436865 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 521-78-8 5282318 170465260 A Trimipramine maleate O=C(O)/C=C\C(=O)O.CN(C)CC(C)CN2c3ccccc3CCc1ccccc12 Tox21_110449_1 -NCGC00260501-01 196724144 tox21-ror-cho-viability-p1 set3 4 0.0021535632 11.2393369519 -6.2393369519 5 2.0437424601 0.5694882697 0.1369622793 -3.94944746 0.70055381 4.32705892 1.65571737 6.70681336 7.46838277 3.84214403 2.47994314 2.8793188 4.16336719 8.68775741 7.85005291 3.75604629 2.59046909 -5.19241763 1.173E-9 2.624E-9 5.867E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.28E-7 7.3329999999E-7 0.0000016399999999 0.000003667 0.0000081989999999 0.00001833 0.000041 0.00009167 99-61-6 7449 144210153 A A 3-Nitrobenzaldehyde O=[N+]([O-])c1cc(C=O)ccc1 Tox21_202955 -NCGC00257625-01 196724146 tox21-ror-cho-viability-p1 set3 -2.1 61.6904908231 -80.8073660309 0.1215577529 -80.685808278 4.0449729863 0.9618625548 0.0000018774 -8.14125999 3.76839269 -1.10401017 -2.84957199 1.64707764 0.0609329 5.84062832 1.16378289 -1.2025135 -4.36420914 2.832656 -0.12239585 3.44811943 -13.44036002 -67.94379415 1.189E-9 2.6589999999E-9 5.945E-9 1.3289999999E-8 2.9719999999E-8 6.647E-8 1.486E-7 3.323E-7 7.4309999999E-7 0.000001662 0.000003716 0.0000083079999999 0.000018579999999 0.00004154 0.00009289 434-07-1 5281034 144207269 A A Oxymetholone O=C3C[C@@H]4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@]1(C)O)[C@@]4(C)C\C3=C\O Tox21_200071 -NCGC00091009-05 196698392 tox21-ror-cho-viability-p1 set1 4 69.1235021648 -12.784752868 0 -12.784752868 4.9549173134 0.4879773029 0.1911242653 -2.41018347 0.06176227 0.73468834 0.82002195 -1.16583269 -1.2950102 -2.30080038 0.57371139 -2.99776974 -2.87569618 0.25393689 7.52187298 0.63897046 0.36101258 -9.82062739 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00254337-01 196698810 tox21-ror-cho-viability-p1 set1 -2.1 27.3060203028 -67.5577794335 0.6726628799 -66.8851165536 1.5385888099 0.9769034099 1.089E-7 1.90631036 2.69972752 2.17513357 -2.08958132 0.0972861 0.66608632 0.13991478 1.19429632 -0.98643428 0.90894141 -0.62089181 -9.69144584 -25.62308134 -37.63059331 -65.57364368 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-97-6 6001 144210818 A A 7,12-Dimethylbenz(a)anthracene Cc2c1c4ccccc4ccc1c(C)c3ccccc23 Tox21_300500 -NCGC00254538-01 196698818 tox21-ror-cho-viability-p1 set1 -1.1 24.3365162115 -76.7666364171 -8.73570888 -85.5023452971 4.9549173134 0.9789901545 6.31E-8 -2.41012369 -14.11833956 -6.89822663 -8.08817685 -10.86060685 -6.58053194 -4.57827167 -9.98090762 -7.2574103 -8.11067269 -10.9850349 -14.7956634 -22.037191 -85.84572821 -80.31881272 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23593-75-1 2812 144210733 A F Clotrimazole Clc1ccccc1C(c2ccccc2)(c3ccccc3)n4ccnc4 Tox21_300415 -NCGC00254129-01 196698825 tox21-ror-cho-viability-p1 set1 -2.1 30.6378586933 -75.667063783 -2.212051241 -77.879115024 2.4729283767 0.9846452621 1.02E-8 -0.91034922 -2.90444545 -1.09411395 -2.9565132 -0.44210794 -0.6459385 0.99643426 -1.49905623 -3.14051282 -3.54512797 -5.81724278 -5.23804781 -19.83359175 -49.17499591 -81.12407815 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 444610-91-7 10233356 144210542 A A PharmaGSID_47315 O=C(O)COc1ccc(cc1CC)SCc4sc(nc4CN2CCN(CC2)c3ccc(OC)cc3)c5ccc(cc5)C(F)(F)F Tox21_300222 -NCGC00254980-01 196699219 tox21-ror-cho-viability-p1 set1 4 3.24921661 2.70456945 0.90222293 2.32020067 1.08461557 -0.09403921 1.59903659 -2.05772992 -0.75060152 0.28780163 0.04240145 -2.83081514 3.5015107 1.6775118 0.81268484 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4682-36-4 83823 144211396 A A Orphenadrine dihydrogen citrate O=C(O)C(O)(CC(=O)O)CC(=O)O.CN(C)CCOC(c1ccccc1)c2ccccc2C Tox21_301079 -NCGC00254567-01 196699222 tox21-ror-cho-viability-p1 set1 4 -5.27322726 -1.29900122 -4.96085302 0.26176017 -1.57173428 -2.37785193 0.53521239 -2.43110515 0.68865737 -0.81103006 0.05742886 0.68701117 0.53237903 1.84691229 1.32513313 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 180-84-7 67437 144210976 A F 1,7-Dioxaspiro[5.5]undecane C2COC1(CCCCO1)CC2 Tox21_300659 -NCGC00253961-01 196699226 tox21-ror-cho-viability-p1 set1 -2.2 48.5577336745 -35.426183312 0 -35.426183312 3.1319983358 0.9490111474 0.0000093913 -1.17157022 -0.93571111 0.95457539 0.89447775 -6.36444857 0.76766861 -0.04630738 1.11696952 0.01061958 -0.47598921 1.49861227 1.57131925 0.0645118 -13.00209514 -31.60515276 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 599-64-4 11742 144210376 A A 4-Cumylphenol CC(C)(c1ccc(O)cc1)c2ccccc2 Tox21_300056 -NCGC00259661-01 196709748 tox21-ror-cho-viability-p1 set2 4 -3.97301472 -3.2669341 -6.0819778 -3.12800805 1.8180883 -2.64665889 -4.01601688 -3.1592504 0.74451742 -3.32680014 -1.56638287 -0.35299073 -0.7791229 -0.15130488 -3.00549594 1.1859999999E-9 2.6519999999E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001853 0.000041439999999 0.000092669999999 96-09-3 7276 144209310 B F Styrene oxide c1ccccc1C2CO2 Tox21_202112 -NCGC00259355-01 196708512 tox21-ror-cho-viability-p1 set2 4 67.2664740676 -24.0233399519 -1 -25.0233399519 3.6272481694 0.9152112854 0.0001414924 -1.0487928 -0.72127234 -0.05757571 -0.08563381 -2.81968325 -3.21546025 -2.01495768 -1.34763508 1.6833247 -2.74000847 -0.88472032 -2.92012258 0.068019 -4.35438752 -18.76944996 1.1609999999E-9 2.5969999999E-9 5.806E-9 1.298E-8 2.903E-8 6.492E-8 1.4519999999E-7 3.246E-7 7.258E-7 0.000001623 0.000003629 0.000008115 0.00001814 0.00004057 0.00009072 1212-29-9 727200 144209004 A A N,N'-Dicyclohexylthiourea S=C(NC1CCCCC1)NC2CCCCC2 Tox21_201806 -NCGC00259990-01 196708514 tox21-ror-cho-viability-p1 set2 4 -0.56684141 -1.27946952 -0.24807216 1.01147314 -0.54079595 0.2800672 0.73044935 -2.16659606 0.76398919 -1.28425406 -1.96705309 0.01578475 -0.35625625 -1.80781256 -0.32066203 1.1919999999E-9 2.6659999999E-9 5.96E-9 1.333E-8 2.98E-8 6.664E-8 1.49E-7 3.332E-7 7.45E-7 0.0000016659999999 0.000003725 0.00000833 0.00001863 0.000041649999999 0.00009313 68-26-8 445354 144209639 FNS Retinol CC=1CCCC(C)(C)C=1/C=CC(\C)=C\C=C\C(\C)=C\CO Tox21_202441 -NCGC00259410-01 196709354 tox21-ror-cho-viability-p1 set2 4 0.61287466 0.21825602 3.88647051 0.40873502 0.88238747 -1.38426281 2.40385524 -1.24546339 -0.81095774 -0.32558473 -0.61232162 0.56834124 -0.76282014 -0.19752504 4.23729349 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 1330-61-6 14899 144209059 D Isodecyl acrylate C=CC(=O)OCCCCCCCC(C)C Tox21_201861 -NCGC00259979-01 196709754 tox21-ror-cho-viability-p1 set2 4 -0.69258955 -0.55744045 -0.44778352 -0.32674042 -0.39990372 -1.7118493 -0.49821335 -0.60183665 -0.81817337 -2.90754976 -0.24969791 -0.50028901 -0.5264105 -0.68587683 -2.87371652 1.177E-9 2.6319999999E-9 5.886E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.000003679 0.000008225 0.00001839 0.00004113 0.00009196 110-64-5 175854 144209628 D 2-Butene-1,4-diol OC\C=C\CO Tox21_202430 -NCGC00259902-01 196709755 tox21-ror-cho-viability-p1 set2 4 -2.381823 -6.32057111 0.06548472 -0.09812497 2.06752177 -2.82846445 0.13771824 0.99579999 1.76633918 2.44631523 2.62601703 0.67341644 1.38889731 1.85572339 3.54854859 1.198E-9 2.68E-9 5.992E-9 1.34E-8 2.996E-8 6.6989999999E-8 1.4979999999E-7 3.35E-7 7.4899999999E-7 0.000001675 0.000003745 0.000008374 0.00001873 0.00004187 0.00009363 509-14-8 10509 144209551 Tetranitromethane O=[N+]([O-])C([N+]([O-])=O)([N+](=O)[O-])[N+]([O-])=O Tox21_202353 -NCGC00259542-01 196709759 tox21-ror-cho-viability-p1 set2 4 -1.08095358 2.42913913 3.5231962 -1.0359111 2.64985961 3.64154216 0.36765414 0.76851586 1.25369777 2.07587473 3.33695732 1.08759955 4.97137979 5.34754371 2.74771768 1.1839999999E-9 2.648E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.619E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 106-50-3 7814 144209191 A F 1,4-Benzenediamine Nc1ccc(N)cc1 Tox21_201993 -NCGC00259961-01 196709761 tox21-ror-cho-viability-p1 set2 4 0.78612336 0.94977962 2.05854885 1.95102715 2.27921584 2.02449666 0.86224904 0.32733572 0.56096369 2.5225571 2.13480998 1.6060754 6.66599967 4.20347928 4.20840597 1.159E-9 2.592E-9 5.7959999999E-9 1.2959999999E-8 2.898E-8 6.48E-8 1.449E-7 3.24E-7 7.245E-7 0.00000162 0.000003622 0.0000080999999999 0.000018109999999 0.000040499999999 0.00009056 109-02-4 7972 144209610 FC 4-Methylmorpholine CN1CCOCC1 Tox21_202412 -NCGC00255470-01 196710169 tox21-ror-cho-viability-p1 set2 4 -3.33450582 -2.81250271 -3.71137596 -5.30983011 -2.15197452 1.36642177 -2.9303249 -5.92841343 -3.50625865 -2.21372861 -2.74610475 -0.01205819 -4.72360382 -1.33590935 -1.53872531 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60207-31-0 43233 144212169 A A Azaconazole Clc1cc(Cl)c(cc1)C2(OCCO2)Cn3cncn3 Tox21_301852 -NCGC00256147-01 196710173 tox21-ror-cho-viability-p1 set2 4 0.8529013 -0.33637186 4.02829178 -0.49989937 -1.60887603 -0.94472742 2.65440515 3.44624172 -1.02230423 2.23520744 2.31118612 -0.76038065 -0.37086042 -0.27018056 0.51627067 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22987-10-6 89953 144211964 A A N-(3-Aminophenyl)propanamide O=C(Nc1cccc(N)c1)CC Tox21_301647 -NCGC00255497-01 196710177 tox21-ror-cho-viability-p1 set2 4 -4.14213837 -0.99951403 -0.22114481 -2.30762486 -0.98729298 -0.79708299 -4.09609166 -9.32290384 0.4721839 -3.05008677 -1.24372656 -2.21557732 -1.24554994 -0.43640525 -4.18958056 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-37-2 31208 144212303 A A 4-Anilinophenol Oc2ccc(Nc1ccccc1)cc2 Tox21_301986 -NCGC00259923-01 196708532 tox21-ror-cho-viability-p1 set2 4 3.74587793 1.90042287 4.1759822 1.67607094 3.38396513 3.10787905 1.68299736 0.60446335 2.6972772 4.38608797 3.61117777 0.36747459 5.54096683 1.98343055 0.03825205 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.00001844 0.000041219999999 0.00009218 732-26-3 12902 144209572 A F 2,4,6-Tris(tert-butyl)phenol CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(C)(C)C Tox21_202374 -NCGC00257304-01 196708132 tox21-ror-cho-viability-p1 set1 4 -9.46105145 -13.17335563 -9.95345909 -12.06947065 -11.41949686 -16.3500409 -12.89966979 -18.18292871 -21.44628512 -12.77093565 -17.3643902 0.86237072 -18.71675208 -10.67316603 -1.01227417 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 121-66-4 8486 144213880 F Ac 2-Amino-5-nitrothiazole [O-][N+](=O)c1cnc(N)s1 Tox21_303575 -NCGC00163927-04 196708530 tox21-ror-cho-viability-p1 set2 4 -2.60281958 -3.79589636 0.7260332 0.34573509 3.56780991 1.62498304 3.81282545 1.43088453 -2.17971129 0.39117816 0.92065424 1.43712755 -0.3979503 0.77024864 0.39124763 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00258030-01 196729865 tox21-ror-cho-viability-p1 set3 4 1.82125522 1.88549154 3.84054619 -0.81328128 -1.51192025 3.55225632 2.85051711 5.84519198 4.6655187 4.60414384 4.15003977 5.32589359 -1.75293152 2.21092384 -0.6517495 1.167E-9 2.608E-9 5.8329999999E-9 1.304E-8 2.9159999999E-8 6.521E-8 1.458E-7 3.26E-7 7.2909999999E-7 0.0000016299999999 0.000003645 0.0000081509999999 0.00001823 0.000040759999999 0.000091129999999 2948-46-1 18062 144207674 A A 1,4-Bis(2-hydroxy-2-propyl)benzene OC(C)(C)c1ccc(cc1)C(C)(C)O Tox21_200476 -NCGC00258188-01 196729860 tox21-ror-cho-viability-p1 set3 4 1.37243424 1.83062238 -9.58106227 2.57204536 -0.19755486 4.19910955 -1.11773108 3.20696878 0.61809106 -2.34230708 -10.73679748 -10.45819617 3.73336963 3.72095317 -8.67299582 1.2049999999E-9 2.695E-9 6.026E-9 1.347E-8 3.013E-8 6.737E-8 1.506E-7 3.368E-7 7.5319999999E-7 0.0000016839999999 0.000003766 0.000008421 0.000018829999999 0.000042109999999 0.00009415 100-52-7 240 144207832 A Benzaldehyde O=Cc1ccccc1 Tox21_200634 -NCGC00258181-01 196729861 tox21-ror-cho-viability-p1 set3 2.4 16.7220835267 21.4306438119 -0.9306438119 20.5 1.826479391 0.9682625658 6.724E-7 0.36411201 -0.89296496 -0.45030556 -1.00803534 -3.27553651 -2.4059443 -0.74795883 -0.51153154 0.16918934 0.80108526 2.30396958 1.47500449 11.5670052 16.76827189 19.767275 1.1509999999E-9 2.5739999999E-9 5.7559999999E-9 1.2869999999E-8 2.878E-8 6.435E-8 1.4389999999E-7 3.217E-7 7.194E-7 0.000001609 0.0000035969999999 0.000008044 0.00001799 0.00004022 0.00008993 77-76-9 6495 144207825 FNS 2,2-Dimethoxypropane CC(C)(OC)OC Tox21_200627 -NCGC00163843-03 196729862 tox21-ror-cho-viability-p1 set3 4 -0.78992562 1.56012078 1.05026925 1.53879687 0.75245947 -0.7607676 -0.73224242 -0.2906351 6.31858393 8.31606187 0.76886124 1.27074966 1.73799196 0.38034888 -0.07918637 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00258361-01 196729870 tox21-ror-cho-viability-p1 set3 -2.4 60.5094261282 -26.556415708 0.5 -26.056415708 2.9522712143 0.9050646045 0.0002502409 0.61586476 0.47307007 0.19675652 2.13839064 0.63748931 4.29921021 0.8756914 1.0940249 2.31088102 -0.42424044 -3.25587542 1.44213268 -2.61952411 -4.87474551 -20.04701309 1.1699999999E-9 2.6159999999E-9 5.849E-9 1.3079999999E-8 2.925E-8 6.54E-8 1.462E-7 3.27E-7 7.3119999999E-7 0.000001635 0.000003656 0.000008175 0.00001828 0.000040869999999 0.0000914 89-63-4 6979 144208005 A A 4-Chloro-2-nitroaniline Nc1ccc(Cl)cc1[N+]([O-])=O Tox21_200807 -NCGC00257925-01 196730275 tox21-ror-cho-viability-p1 set3 -1.1 13.9502830566 -73.3089428351 0.6559348799 -72.6530079552 2.3331733767 0.9500166186 0.0000083842 1.71165691 2.68429568 -1.2076362 -0.61193061 -1.75116676 -1.3889331 -0.76471542 0.78991285 0.90787884 -0.46938942 -1.95799306 -0.60688673 -61.77709893 -61.16250627 -70.75635552 1.1989999999E-9 2.6809999999E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.7019999999E-8 1.4989999999E-7 3.351E-7 7.493E-7 0.000001675 0.000003746 0.000008377 0.00001873 0.00004189 0.00009366 101-96-2 7589 144207569 I N,N'-Bis(1-methylpropyl)-1,4-benzenediamine CC(CC)Nc1ccc(NC(C)CC)cc1 Tox21_200371 -NCGC00257673-01 196730290 tox21-ror-cho-viability-p1 set3 4 -1.83606564 -0.16910622 -6.08163539 -5.85275332 -3.92993717 -0.00099138 -4.11215766 -0.08783168 0.02562379 -1.93910332 -0.05588942 0.99555092 1.9995183 0.16608574 2.90848689 1.172E-9 2.6199999999E-9 5.858E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.275E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008187 0.00001831 0.000040929999999 0.00009153 103-89-9 7684 144207317 A A N-Acetyl-p-toluidine O=C(C)Nc1ccc(C)cc1 Tox21_200119 -NCGC00258259-01 196729526 tox21-ror-cho-viability-p1 set3 -2.1 48.8047419132 -90.497952472 4.8753014825 -85.6226509895 3.0654483358 0.9918716742 2E-10 3.98425295 5.87015744 3.78389561 5.42000147 3.11748502 6.45732789 2.10632365 1.7453509 7.58245833 8.53741657 3.78792075 2.85065261 0.96118104 -30.59661638 -73.95655378 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.626E-8 1.482E-7 3.3129999999E-7 7.408E-7 0.000001656 0.000003704 0.000008282 0.00001852 0.000041409999999 0.000092589999999 485-47-2 10236 144207903 Ac Ac Ninhydrin O=C2c1ccccc1C(=O)C2(O)O Tox21_200705 -NCGC00258508-01 196729515 tox21-ror-cho-viability-p1 set3 4 -6.20856766 -18.43907874 -2.68254612 -8.78774951 -6.28775799 -1.92723903 -13.40774705 -1.4477446 -2.37883605 -2.74607898 0 0 -12.44092842 -6.0533594 -3.29223227 1.1689999999E-9 2.6129999999E-9 5.843E-9 1.3069999999E-8 2.922E-8 6.5329999999E-8 1.461E-7 3.2659999999E-7 7.304E-7 0.0000016329999999 0.000003652 0.000008166 0.00001826 0.000040829999999 0.0000913 1445-45-0 15050 144208153 FC 1,1,1-Trimethoxyethane CC(OC)(OC)OC Tox21_200955 -NCGC00258326-01 196729519 tox21-ror-cho-viability-p1 set3 -1.3 6.9707164249 -77.7267529317 0.9598845589 -76.7668683728 4.9549173134 0.9960667111 0.1655256144 1.05734678 -1.92985091 0.12953285 0.27066291 -2.86809442 2.83923925 0.01313261 2.36229771 2.27748825 0.53624924 0.56781548 -52.51468065 -77.56191516 -0.57033591 -77.23582887 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.000001671 0.000003737 0.000008357 0.00001869 0.000041779999999 0.00009343 5153-67-3 5284459 144207970 A B (E)-beta-Nitrostyrene [O-][N+](=O)/C=C/c1ccccc1 Tox21_200772 -NCGC00258220-01 196729525 tox21-ror-cho-viability-p1 set3 4 -2.9720825 0 -13.48102188 0 -1.0953374 0 0 0 -11.51574648 -2.03236349 0 -0.66743096 -0.78335387 -4.94983349 -2.75050864 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3069999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.000008269 0.000018489999999 0.00004134 0.00009245 553-53-7 11112 144207864 A A Nicotinic acid hydrazide O=C(NN)c1cccnc1 Tox21_200666 -NCGC00257592-01 196729533 tox21-ror-cho-viability-p1 set3 4 0.50666858 1.30569276 -12.184872 -15.74258534 4.17708293 -2.22455605 0 -0.92430946 0 -12.56089315 0 -12.80365883 -3.09668894 1.08569381 -1.5793061 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 4016-14-2 19920 144207236 AC F Isopropyl glycidyl ether CC(C)OCC1CO1 Tox21_200038 -NCGC00258533-01 196729927 tox21-ror-cho-viability-p1 set3 4 -0.87718244 0 -0.56758359 -0.51293779 3.39012489 1.01993327 3.8159102 0.47942341 0.88916514 -0.13361356 -3.52949734 -2.85907277 3.31601859 3.13207169 0.70730257 1.203E-9 2.6889999999E-9 6.014E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003759 0.000008404 0.000018789999999 0.00004202 0.000093959999999 615-28-1 11990 144208178 D 1,2-Phenylenediamine dihydrochloride Cl.Cl.Nc1ccccc1N Tox21_200980 -NCGC00258108-01 196701704 tox21-ror-cho-viability-p1 set1 -3 58.2204947775 -46.3759179256 0.832538264 -45.5433796616 3.6772481694 0.9780275258 8.2E-8 -0.78540696 2.1962895 -0.9885419 0.54649246 -0.94460938 2.83444528 -1.2026499 0.11870304 4.14175398 1.27426797 0.72986048 0.60737534 0.38733217 -7.72031235 -37.53286338 1.133E-9 2.533E-9 5.6629999999E-9 1.2659999999E-8 2.832E-8 6.332E-8 1.416E-7 3.1659999999E-7 7.0789999999E-7 0.000001583 0.00000354 0.000007915 0.0000177 0.000039569999999 0.000088489999999 79-97-0 6620 144207752 A A 3,3'-Dimethylbisphenol A Cc1cc(ccc1O)C(C)(C)c2ccc(O)c(C)c2 Tox21_200554 -NCGC00258451-01 196701698 tox21-ror-cho-viability-p1 set1 -2.4 56.0377024923 -26.6251457759 -2 -28.6251457759 2.7202212143 0.8216675328 0.0048964433 -0.06745034 -0.77290013 1.17375741 1.8453369 -4.14249105 -3.32407116 -0.57739195 -5.67116525 -5.86687471 -6.66314134 -3.12936077 0.28126295 -1.24267522 -10.61572252 -23.43762148 1.208E-9 2.7009999999E-9 6.0389999999E-9 1.3499999999E-8 3.02E-8 6.752E-8 1.51E-7 3.376E-7 7.549E-7 0.0000016879999999 0.0000037739999999 0.0000084399999999 0.00001887 0.0000422 0.00009436 34176-52-8 98613 144208095 C D 2-Hydrazino-4-phenylthiazole NNc1nc(cs1)c2ccccc2 Tox21_200897 -NCGC00257596-01 196701710 tox21-ror-cho-viability-p1 set1 4 -1.41722431 -8.96331083 0.75804761 -5.95128003 -10.02089598 -0.29014673 1.89368078 -5.0145275 2.1098969 -8.62051279 4.66054651 -13.48607607 -8.84538289 -1.88385087 -0.56977534 1.27E-9 2.841E-9 6.3519999999E-9 1.42E-8 3.1759999999E-8 7.102E-8 1.588E-7 3.551E-7 7.94E-7 0.0000017749999999 0.00000397 0.000008877 0.00001985 0.00004439 0.00009925 95-06-7 7216 144207240 A A Sulfallate C=C(Cl)CSC(=S)N(CC)CC Tox21_200042 -NCGC00257990-01 196702108 tox21-ror-cho-viability-p1 set1 4 5.87267676 3.5601279 1.05328501 4.63190838 1.11948703 -1.26099543 -3.40131311 -7.56255897 7.11570338 5.00087053 -0.04317518 0.13473511 -10.1443438 8.00900243 5.53006907 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.4699999999E-7 3.2859999999E-7 7.3479999999E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004108 0.00009185 108-11-2 7910 144207634 A A 4-Methyl-2-pentanol CC(C)CC(C)O Tox21_200436 -NCGC00257811-01 196702109 tox21-ror-cho-viability-p1 set1 4 0.57077744 1.2107369 -1.87634912 -0.95064553 1.30859226 2.21764237 0.68108692 2.77903086 5.71965063 5.89593185 0.75134674 -0.78044471 3.73840297 0.9567346 1.15488797 1.1699999999E-9 2.6159999999E-9 5.849E-9 1.3079999999E-8 2.925E-8 6.54E-8 1.462E-7 3.27E-7 7.3119999999E-7 0.000001635 0.000003656 0.000008175 0.00001828 0.000040869999999 0.0000914 68-36-0 6233 144207455 A A 1,4-Bis(trichloromethyl)benzene ClC(Cl)(Cl)c1ccc(cc1)C(Cl)(Cl)Cl Tox21_200257 -NCGC00258642-01 196702112 tox21-ror-cho-viability-p1 set1 4 0.79804918 3.17546708 -1.32633605 1.82431228 0.05837237 0.40177943 2.19841523 0.6181238 -0.2784451 4.62382095 -0.27684371 2.34076705 7.60296916 4.33395866 4.48944068 1.197E-9 2.676E-9 5.9839999999E-9 1.338E-8 2.992E-8 6.69E-8 1.496E-7 3.345E-7 7.48E-7 0.000001673 0.00000374 0.000008363 0.000018699999999 0.000041819999999 0.0000935 513-88-2 10567 144208288 D 1,1-Dichloropropanone ClC(Cl)C(C)=O Tox21_201090 -NCGC00258040-01 196702119 tox21-ror-cho-viability-p1 set1 4 30.3265518896 -22.8060078159 1 -21.8060078159 1.0641 0.9011723419 0.0003059707 -0.20651464 -2.07502025 1.25378268 -0.28024559 2.23467769 3.77200677 1.48956656 -1.06604589 0.84027364 0.41782533 1.2956616 -6.97127298 -6.59114067 -11.11356655 -18.17167318 1.1699999999E-9 2.615E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.538E-8 1.462E-7 3.269E-7 7.31E-7 0.000001635 0.0000036549999999 0.000008173 0.00001828 0.000040869999999 0.00009138 6109-97-3 62130 144207684 A B 3-Amino-9-ethylcarbazole hydrochloride Cl.Nc2cc3c1ccccc1n(CC)c3cc2 Tox21_200486 -NCGC00258225-01 196702518 tox21-ror-cho-viability-p1 set1 -3 76.5676715067 -31.518017136 -8.9137526039 -40.4317697399 4.9549173134 0.7946767563 0.0088945688 -4.92812717 -8.07351873 -6.08008135 -6.33605066 -10.73027274 -7.79034489 -12.96611816 -11.56171355 -7.78378906 -11.88194585 -8.13381705 -10.57906474 -14.99594199 -5.10918503 -33.69314145 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003673 0.0000082119999999 0.000018359999999 0.00004106 0.000091819999999 4252-78-2 20250 144207869 D 2,2',4'-Trichloroacetophenone O=C(CCl)c1ccc(Cl)cc1Cl Tox21_200671 -NCGC00258271-01 196702521 tox21-ror-cho-viability-p1 set1 4 -4.26745334 -3.97330225 -2.98299592 1.30323285 0.12549321 -1.25078322 1.08853776 -1.12361092 -2.4638226 -1.89946818 -9.56129428 0.88830983 -6.03248478 0.0492949 -2.2199454 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.961E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.000003701 0.000008275 0.0000185 0.00004137 0.000092519999999 216299-72-8 12040508 144207915 A A 1-Methyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide C[n+]1ccn(CCC)c1.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F Tox21_200717 -NCGC00257930-01 196702538 tox21-ror-cho-viability-p1 set1 4 4.4468115407 -12.610610228 -3.5 -16.110610228 0.7999999999 0.3471849106 0.322389174 -1.08192723 -0.24629248 0.94984451 -7.94007818 -10.47087441 -3.83290549 -15.03770756 2.31011539 5.37875037 -15.66678887 -8.03876516 -11.72869677 -16.34217519 -10.63019648 -16.09974926 1.2069999999E-9 2.699E-9 6.0359999999E-9 1.3499999999E-8 3.0179999999E-8 6.7479999999E-8 1.509E-7 3.3739999999E-7 7.5449999999E-7 0.000001687 0.0000037719999999 0.000008435 0.00001886 0.00004218 0.00009431 92-67-1 7102 144207574 A A 4-Biphenylamine Nc1ccc(cc1)c2ccccc2 Tox21_200376 -NCGC00254594-01 196699638 tox21-ror-cho-viability-p1 set1 4 0.000072744 -47.25909857 -44.50417206 -38.68718159 -26.68464269 -19.20163317 -10.28546349 3.27498293 0.47002939 -0.1783921 0.33107145 2.57102533 -4.27937492 0.12303343 -5.28821622 -15.92067869 1.3789999999E-9 3.082E-9 6.8929999999E-9 1.541E-8 3.446E-8 7.706E-8 1.723E-7 3.8529999999E-7 8.616E-7 0.000001927 0.0000043079999999 0.0000096329999999 0.000021539999999 0.000048159999999 0.0001077 120-46-7 8433 144211003 Ac Ac 1,3-Diphenyl-1,3-propanedione O=C(CC(=O)c1ccccc1)c2ccccc2 Tox21_300686 -NCGC00254844-01 196699228 tox21-ror-cho-viability-p1 set1 4 -0.06717643 -3.27474677 -0.6792547 -1.44313824 -3.61298477 -2.92653125 0.16357398 -1.78814618 -1.11742093 -0.59212022 -7.32018738 -5.83996465 -0.5621617 -1.04681674 -6.44844043 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 487-06-9 2775 144211259 A A 5,7-Dimethoxy-2H-chromen-2-one COc2cc(cc1OC(=O)C=Cc12)OC Tox21_300942 -NCGC00254680-01 196699232 tox21-ror-cho-viability-p1 set1 4 -1.69334183 -1.21077528 3.38291947 0.4121652 2.46413879 0.15137766 0.8370894 0.46311744 3.35409699 1.85827119 0.26262452 1.75297043 7.24969548 -1.07176525 0.26859973 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.481E-7 3.311E-7 7.4029999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 0.0002069 60-35-5 178 144211093 A A Acetamide CC(N)=O Tox21_300776 -NCGC00254075-01 196713880 tox21-ror-cho-viability-p1 set2 4 -1.28649847 1.18758191 -0.81327651 0.56518947 0.51687603 4.05459433 1.48805269 -0.39384455 1.68205855 1.38199381 1.10347726 4.70979306 1.62605726 2.26331806 0.26835047 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 53-86-1 3715 144210586 A A Indomethacin Clc1ccc(cc1)C(=O)n3c2ccc(cc2c(CC(=O)O)c3C)OC Tox21_300266 -NCGC00160457-02 196713460 tox21-ror-cho-viability-p1 set2 4 0.33687936 -0.2104095 -3.13133149 -4.67995175 0.39551415 -4.48251182 -2.50321277 -2.99899347 -2.69774479 0.9102988 -1.48623233 -2.1992789 0.33701714 0.11620785 5.19031132 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69542-93-4 68888 170466354 A Pivagabine O=C(NCCCC(=O)O)C(C)(C)C Tox21_111827_1 -NCGC00254526-01 196713867 tox21-ror-cho-viability-p1 set2 4 0.19086717 4.96723355 0.96137717 -0.09175328 0.21597359 -1.21546144 0.52839569 1.09992175 0.68851198 0.69154309 4.01419692 0.58582905 4.31155788 3.63359568 1.31958409 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-95-3 7416 144210826 A Ac Nitrobenzene [O-][N+](=O)c1ccccc1 Tox21_300508 -NCGC00254599-01 196713875 tox21-ror-cho-viability-p1 set2 4 -3.24979819 -1.20757134 -6.20114561 0.26148311 -2.3832941 -4.52950652 -4.20183285 -3.68333974 0.1849687 -0.38233084 1.970309 -2.31882821 0.86714042 -6.4649308 0.3223182 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52645-53-1 40326 144211008 I I Permethrin Cl/C(Cl)=C/C3C(C(=O)OCc2cccc(Oc1ccccc1)c2)C3(C)C Tox21_300691 -NCGC00357076-01 196711384 tox21-ror-cho-viability-p1 set2 4 -2.15088618 -3.28496174 -6.26229107 -10.27169551 -20.89014353 0 -2.20751429 0 -23.30558869 -0.5720286 1.41882884 0 0 -4.68462204 1.49313179 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-30-1 62325 251919949 F 2-Methylpropanoyl chloride CC(C)C(Cl)=O Tox21_303786 -NCGC00255439-01 196710566 tox21-ror-cho-viability-p1 set2 4 0.0013685429 10.10522832 -11.10522832 -1 4.9549173134 0.5261304116 0.1592968046 -8.4210236 -0.03220026 -2.99013539 0.12521467 -2.41605082 -1.40079173 -2.01858928 -0.06615299 1.63886265 -0.29615879 -1.51702724 -0.74201225 1.75280553 -4.46877098 -3.34762818 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7011-83-8 285097 144212629 A A Dihydrojasmone lactone O=C1CCC(C)(CCCCCC)O1 Tox21_302312 -NCGC00256161-01 196710980 tox21-ror-cho-viability-p1 set2 -1.1 24.3365162115 -69.0656133192 -1.378189426 -70.4438027452 4.0949729863 0.993436177 1E-10 1.28797 -2.5382982 -2.48596654 -2.54267222 0.06120913 -0.55721083 -1.58653636 -1.02805857 -1.32709267 -4.72785306 0.46730516 0.19553647 -18.21116872 -60.29469182 -72.49392426 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-74-3 6610 144212084 A F 2,5-Bis(2-methylbutan-2-yl)benzene-1,4-diol Oc1cc(c(O)cc1C(C)(C)CC)C(C)(C)CC Tox21_301767 -NCGC00255397-01 196710989 tox21-ror-cho-viability-p1 set2 4 4.38784175 2.19258844 4.95736365 0.4210258 2.65171356 0.13436599 0.31869879 1.91509967 1.94197228 1.56226286 2.99777199 0.41944849 3.25273139 1.55078084 0.13754218 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 324-93-6 9462 144212592 A A 4'-Fluoro-4-aminodiphenyl Nc1ccc(cc1)c2ccc(F)cc2 Tox21_302275 -NCGC00260573-01 196711390 tox21-ror-cho-viability-p1 set2 -3 13.3331902297 -31.891952894 -4 -35.891952894 3.9899729863 0.7078172927 0.0429440233 -4.44435733 -2.66545948 -8.62719442 -7.06190342 -5.26309841 -14.64440158 0 -12.3026384 0 0 0 0 -2.77211191 -39.87994766 1.08178336 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49469 144210226 M M NTP Mix81 CT1 62-EQP Tox21_203028 -NCGC00260181-01 196711405 tox21-ror-cho-viability-p1 set2 2.4 61.3793157847 34.1633733881 1.8366266119 36 3.1319983358 0.9046734081 0.0002543298 -5.13614449 3.26704217 1.05729694 1.32232061 -0.0664939 2.34015179 1.60715289 4.70516538 1.17299418 3.0897792 4.54209738 1.04784259 3.18416442 9.44343108 28.54315628 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.309E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008272 0.0000185 0.00004136 0.00009248 98892-76-3 60196374 144209831 F 1-Ethyl-2,3-dimethylimidazolium bromide Br.CN1C=CN(CC)C1C Tox21_202633 -NCGC00357028-01 196711409 tox21-ror-cho-viability-p1 set2 4 10.8707224818 -13.8884440879 -1 -14.8884440879 3.9294729863 0.594809516 0.1006870944 -1.125309 -0.05147851 -3.75925542 0.1543994 -0.90984426 -2.67925378 -3.39023023 -11.14682052 -1.51711557 4.64565413 3.64122094 0.33713758 -21.15703674 -13.03888258 -11.07623274 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 827-94-1 13231 251919954 Ac 2,6-Dibromo-4-nitroaniline Brc1cc(cc(Br)c1N)[N+]([O-])=O Tox21_303713 -NCGC00091483-03 196711802 tox21-ror-cho-viability-p1 set2 -2.4 68.5896218971 -36.088170736 5.5 -30.588170736 4.9549173134 0.8638168342 0.001443055 2.97756091 3.62286595 0.40519532 0.39186598 4.04032528 8.24511537 5.8027858 6.66480256 3.69485666 6.37303951 5.87484186 7.30575545 10.64118174 7.0033345 -24.24014228 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00260372-01 196711808 tox21-ror-cho-viability-p1 set2 4 -1.33327319 -4.9401145 -4.68723875 -5.56388226 -3.64616389 -5.87064613 0 -13.04066016 -1.35988668 -18.69528628 -5.32792703 0 -10.27104718 -6.98808892 -20.2132897 3.3579999999E-10 7.509E-10 1.6789999999E-9 3.754E-9 8.395E-9 1.877E-8 4.198E-8 9.386E-8 2.099E-7 4.6929999999E-7 0.0000010489999999 0.0000023469999999 0.000005247 0.00001173 0.000026239999999 35578-47-3 96430 144210024 Ac 4,4'-Dibromobenzil O=C(c1ccc(Br)cc1)C(=O)c2ccc(Br)cc2 Tox21_202826 -NCGC00255651-01 196728047 tox21-ror-cho-viability-p1 set3 4 1.9331181962 30.4418424519 -1.4418424519 29 0.2 0.4110995939 0.2778211415 -2.03486871 13.93870965 3.70140594 3.35657227 9.49561305 17.03943925 10.42298282 4.0443068 8.15057665 9.0102416 17.30430706 24.57135735 18.78955592 13.41202955 -2.73620998 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 113-52-0 8228 144211734 A A Imipramine hydrochloride Cl.CN(C)CCCN2c3ccccc3CCc1ccccc12 Tox21_301417 -NCGC00256580-01 196727610 tox21-ror-cho-viability-p1 set3 -1.2 7.6958821542 -41.3507480152 -2.986259943 -44.3370079582 1.21 0.9764012927 1.233E-7 -2.34041614 0.2687328 -3.10507818 -2.33830299 -4.0468111 -5.26559897 -5.39311212 -5.2453205 -4.36120449 -5.68468163 -15.08446794 -28.95570372 -30.71240807 -37.05588482 -44.59386663 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 70-30-4 3598 144213058 A A Hexachlorophene Clc2c(Cc1c(O)c(Cl)cc(Cl)c1Cl)c(O)c(Cl)cc2Cl Tox21_302741 -NCGC00256871-01 196727619 tox21-ror-cho-viability-p1 set3 4 30.6378586933 -13.359615484 0.5 -12.859615484 1.372261 0.6613278939 0.0580780566 5.58554258 1.31406503 1.89857184 0.37656741 0.23798197 -3.18275121 1.09257115 0.17714595 -4.52137545 2.88684309 1.7810759 -2.60566944 -5.10695461 -5.29200244 -11.54967957 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-16-2 8835 144212805 Ac F Citronellyl butyrate C\C(C)=C\CCC(C)CCOC(=O)CCC Tox21_302488 -NCGC00257389-01 196727631 tox21-ror-cho-viability-p1 set3 4 15.3553036427 16.111722692 0.388277308 16.5 1.5094870999 0.9170713433 0.000248123 2.18160566 -1.75976891 1.86038398 0.9961917 1.51246326 0.45497294 0.61285027 -0.06171593 0.59849239 -0.28510346 0.93694582 6.76292095 8.42262886 13.93901222 4.90373389 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_48505 9884915 144213825 A A PharmaGSID_48505 [O-][N+](=O)c1cc2C(=Nc3c(Nc2cc1)nnc3C)c4ccccc4Cl Tox21_303517 -NCGC00244579-01 196728050 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -93.5595574193 0.3132346889 -93.2463227304 4.5044702849 0.8525841041 0.0020752157 -0.13236802 -14.30496329 -15.6280841 11.59759839 4.27138788 12.86263507 -2.41659644 4.3022935 4.84469653 7.53458147 -1.72806872 -1.21479751 -4.33203732 -7.43079721 -74.00501804 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00255246-01 196728051 tox21-ror-cho-viability-p1 set3 -2.2 30.6378586933 -32.2549755 1.5 -30.7549755 1.92824246 0.9168298919 0.0001265602 0.37499033 0.16827768 -1.75119324 7.94972396 -1.65500385 -1.03643954 2.33029075 1.3326569 1.73468008 4.6751972 1.89532163 -4.05514763 -8.03262815 -17.50896243 -30.62914625 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 125116-23-6 86210 144212590 A A Metconazole Clc1ccc(cc1)CC3CCC(C)(C)C3(O)Cn2cncn2 Tox21_302273 -NCGC00255707-01 196728052 tox21-ror-cho-viability-p1 set3 -2.1 61.0684034629 -139.736648512 4.1829258341 -135.5537226779 2.9022712143 0.9764155818 1.227E-7 -0.35424978 1.23098039 3.83808006 1.56720091 16.81995254 1.10344513 1.02968172 3.33451048 10.57316664 4.7397842 2.70814772 2.47495055 -2.83741807 -30.15677362 -102.69221415 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 1119-97-7 14250 144212384 A A Tetradonium bromide [Br-].C[N+](C)(C)CCCCCCCCCCCCCC Tox21_302067 -NCGC00255745-01 196728445 tox21-ror-cho-viability-p1 set3 4 -1.36822632 0.2143018 4.57813567 2.5272169 -4.14026292 -4.31468728 -2.81907998 3.11053737 -2.63108098 4.15902339 -4.07381172 -8.62271048 2.70540284 -5.26047145 -6.42992636 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-05-4 6961 144212347 A Ac Pyromellitic acid OC(=O)c1cc(c(cc1C(=O)O)C(=O)O)C(=O)O Tox21_302030 -NCGC00255711-01 196728453 tox21-ror-cho-viability-p1 set3 4 1.13788151 4.68234911 5.11887444 7.8836006 2.86023827 4.72854417 8.71438219 16.08179077 1.5260994 5.23693493 3.53434411 1.76422223 6.39022298 -2.91447993 1.48527744 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2597-03-7 17435 144211881 Bc Fc Phenthoate O=C(OCC)C(SP(=S)(OC)OC)c1ccccc1 Tox21_301564 -NCGC00255873-01 196728454 tox21-ror-cho-viability-p1 set3 4 7.6958821542 -7.557066816 3 -4.557066816 3.1319983358 0.4783995053 0.199005069 1.07760572 0.09301538 10.61250215 -3.46285626 2.33419888 5.2475937 2.3258613 4.01630333 1.55085054 6.47828459 1.00951061 -0.30212611 -5.03520009 -5.04755568 -3.15473264 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23505-41-1 31957 144211764 A A Pirimiphos-ethyl CCN(CC)c1nc(C)cc(OP(=S)(OCC)OCC)n1 Tox21_301447 -NCGC00256437-01 196726438 tox21-ror-cho-viability-p1 set3 4 -1.24387414 2.70384204 -1.98792915 3.0060888 0.8506574 0.31257971 0.8163287 1.25727824 2.9198733 4.26670835 2.85749565 0.38105959 1.2395733 0.12699424 6.10553491 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-09-1 6626 144213160 A A 4,4'-Sulfonyldiphenol Oc1ccc(cc1)S(=O)(=O)c2ccc(O)cc2 Tox21_302843 -NCGC00091499-05 196706635 tox21-ror-cho-viability-p1 set1 4 3.95069168 -5.01171863 -0.44954312 0.04496393 1.39688863 0.36271611 -0.47220004 1.19439934 0.70052421 11.72548714 0.23858477 3.49428261 -4.28485433 0.58961601 4.43988334 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00259427-01 196706643 tox21-ror-cho-viability-p1 set1 4 0.0533764378 6.585009224 -7.085009224 -0.5 4.9549173134 0.3327942129 0.3367627505 -4.53290619 -0.16829705 -4.40031785 -12.38456961 -15.07084102 -0.72682053 -3.87442527 0.30426433 6.13578768 -2.46740928 0.70171827 0.38728658 -8.22241752 -0.36424965 2.55361168 1.16E-9 2.594E-9 5.8009999999E-9 1.297E-8 2.901E-8 6.486E-8 1.45E-7 3.2429999999E-7 7.252E-7 0.000001622 0.0000036259999999 0.000008108 0.000018129999999 0.000040539999999 0.00009065 88-85-7 6950 144209076 F Dinoseb O=[N+]([O-])c1cc(cc(C(C)CC)c1O)[N+]([O-])=O Tox21_201878 -NCGC00259765-01 196706630 tox21-ror-cho-viability-p1 set1 4 -14.66557815 6.38871212 -9.00096037 -12.30565206 3.28221026 -0.99196312 -6.86099235 -5.82964019 -0.92153152 -13.32710077 -7.93494814 1.50064173 -5.02299674 -5.92933672 -10.76206059 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.945E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.000003681 0.00000823 0.000018399999999 0.00004115 0.000092019999999 98730-04-2 62306 144209414 A A Benoxacor ClC(Cl)C(=O)N1c2ccccc2OCC1C Tox21_202216 -NCGC00258896-01 196706632 tox21-ror-cho-viability-p1 set1 4 0.0034411205 11.743209116 -11.743209116 0 0.8999999999 0.4972072256 0.1823949446 -10.61934093 -1.7826616 -9.50190272 0.24587599 -3.01875645 1.49813086 1.69346398 -4.67049552 -2.98466163 0 -0.48660541 0.93583815 0.90112216 0.37387372 0.70217251 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.00004125 0.000092249999999 123-01-3 31237 144208542 AC Fns Dodecylbenzene CCCCCCCCCCCCc1ccccc1 Tox21_201344 -NCGC00259225-01 196706645 tox21-ror-cho-viability-p1 set1 4 54.4826732819 -13.7310207679 1 -12.7310207679 3.5722481694 0.4956877479 0.183084104 2.16973695 5.27579952 1.09313391 2.32319317 -0.57511266 4.71402516 -7.66933556 -0.17197209 5.46402621 -1.1910764 3.57796007 -1.20987995 1.58554489 -2.97950097 -11.02585064 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041219999999 0.00009218 36734-19-7 37517 144208874 A A Iprodione O=C2CN(C(=O)NC(C)C)C(=O)N2c1cc(Cl)cc(Cl)c1 Tox21_201676 -NCGC00259607-01 196706648 tox21-ror-cho-viability-p1 set1 4 10.72714077 2.2012696 1.765549 2.50439579 3.4826413 0.332906 0.32043651 2.41266514 -0.87327979 4.08638213 -0.98729 4.04353137 2.40203311 3.60952997 -1.56833278 1.177E-9 2.6319999999E-9 5.886E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.000003679 0.000008225 0.00001839 0.00004113 0.00009196 584-84-9 11443 144209256 D Toluene-2,4-diisocyanate O=C=N/c1cc(ccc1C)\N=C=O Tox21_202058 -NCGC00256887-01 196707052 tox21-ror-cho-viability-p1 set1 4 0.60718875 3.36997615 -0.53081726 4.61915403 0.54367771 1.05686743 0.22647813 -0.37170682 0.47831699 0.67173294 -0.69748648 -0.43255914 0.8323902 5.81627265 0.34475517 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 31375-17-4 35785 144213934 Ac Fns 1-(5-Isopropyl-2-methyl-cyclohex-2-enyl)-propan-1-one CC(C)C1CC=C(C)C(C1)C(=O)CC Tox21_303629 -NCGC00257133-01 196707059 tox21-ror-cho-viability-p1 set1 4 2.2447529 2.12508644 0.48196905 0.73196736 3.17251108 2.23584077 1.90003524 6.46821046 4.1206201 -0.24417688 2.58682531 -0.15380594 1.88052289 0.26040828 9.42125548 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 2893-78-9 517121 144213579 F Sodium dichloroisocyanurate [Na+].ClN1C(=O)[N-]C(=O)N(Cl)C1=O Tox21_303262 -NCGC00090708-05 196707062 tox21-ror-cho-viability-p1 set1 -1.2 13.6854287769 -59.7312696676 0.8994276709 -58.8318419967 1.9673362061 0.9783721261 7.46E-8 -0.24727917 -0.61840557 0.52768407 1.25095903 -1.23121765 -1.21593863 1.60386947 1.96644905 -2.51956938 1.12581041 0.48807031 -9.38301967 -42.65431168 -49.49968417 -54.03927424 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00015675-08 196707479 tox21-ror-cho-viability-p1 set1 4 -0.22616698 4.01944182 -5.22968781 0.98189854 1.02564182 1.45332954 -2.17748789 -6.6834204 4.09607675 4.17764774 0.34141217 0.14674209 -2.00214434 1.47946045 -3.46074293 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00094521-05 196707876 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -23.647642204 2.5 -21.147642204 4.5044702849 0.8814091777 0.000752976 4.74813261 4.317646 1.70173138 4.71368388 1.86781649 0.238071 4.66324602 -0.56663097 2.75331572 2.79953035 -0.48582991 1.61049762 1.85089104 0.56539872 -16.37303517 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009215 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00091586-02 196707890 tox21-ror-cho-viability-p1 set1 4 2.85352437 -1.63709888 1.12290804 -9.53033968 1.0217261 -3.08667799 0.05448676 1.86119832 -3.45691369 -16.18729804 3.36401024 4.54490077 -6.68807075 -7.98842313 -12.02763111 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00018221-08 196698853 tox21-ror-cho-viability-p1 set1 4 -0.17028614 0.18796682 0.39703091 2.5662011 2.0799403 -0.38500257 0.37818244 2.39356177 0.4301325 2.82558173 2.95723955 -0.55508254 2.93461485 2.9455375 1.00182592 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00090851-10 196698037 tox21-ror-cho-viability-p1 set1 -1.2 4.2163249602 -57.4699302938 -3.621993071 -61.0919233648 1.24751 0.9928947647 1E-10 -5.20792908 -2.60712644 -5.56897055 -2.06965598 -1.61831665 -3.5186331 -8.12391272 -2.76783935 -6.00745005 -9.04278235 -20.09956915 -31.89893471 -43.91878537 -54.28462662 -58.41844756 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 320-67-2 9444 170465076 Z 5-Azacitidine NC1=NC(=O)N(C=N1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O Tox21_111032_1 -NCGC00090721-03 196698039 tox21-ror-cho-viability-p1 set1 4 0.06940129 9.66642863 0.90384506 0.04259011 -0.87723134 2.23757385 0.12635053 1.01362848 -0.63926022 0.51756433 1.68623293 4.54317773 1.85168843 1.16972782 1.02305737 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00091483-03 196698868 tox21-ror-cho-viability-p1 set1 -2.2 54.4826732819 -34.055394796 -1.5 -35.555394796 3.1319983358 0.864915789 0.001388947 -2.57851805 -1.15603433 -0.00506281 -8.82319641 -0.46786226 -3.10982606 0.23593137 -3.32882583 -3.76726169 2.29156023 0.19810092 4.61418258 -1.27732895 -11.97685895 -30.04616233 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00254910-01 196698871 tox21-ror-cho-viability-p1 set1 4 12.1971512362 -13.049970328 -1.5 -14.549970328 0.8999999999 0.6031228243 0.1095935404 1.73511718 -3.08644658 -2.49266138 -2.42921504 0.2986933 -3.60480311 -2.76862684 -6.30425643 0.28343297 -1.84809931 -3.86602719 -5.24786278 -13.79164194 -8.80403974 1.78706021 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-88-9 7533 144211325 A Fc Cyclamic acid OS(=O)(=O)NC1CCCCC1 Tox21_301008 -NCGC00253926-01 196699283 tox21-ror-cho-viability-p1 set1 4 -3.72178288 -2.95273725 -5.59549121 -6.2679597 -8.5659979 -6.79368236 -0.19039952 -3.68536672 -2.22032828 -3.22462994 0.44506268 -2.73411582 -3.07108643 -0.1713997 -2.71280664 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-24-1 637566 144210456 A A Geraniol C\C(C)=C\CCC(\C)=C\CO Tox21_300136 -NCGC00090965-04 196699290 tox21-ror-cho-viability-p1 set1 4 -0.44690818 -0.62901275 0.417358 -4.01845816 -3.19646787 -0.25056871 0.58607432 -0.38972072 -0.67912377 0.10797193 -0.18123168 0.26852126 1.43619724 -4.04965539 0.83800395 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00254165-01 196699687 tox21-ror-cho-viability-p1 set1 4 0.42557439 1.21102121 -0.01044866 1.0565979 2.24153299 0.11758466 2.20282075 0.28226055 5.09997583 0.62861527 0.17530471 0.42423746 1.27795905 1.42740412 -0.61686697 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 732-11-6 12901 144210413 C D Phosmet COP(=S)(OC)SCN2C(=O)c1ccccc1C2=O Tox21_300093 -NCGC00254450-01 196699688 tox21-ror-cho-viability-p1 set1 4 27.3060203028 13.8625666959 -3.8625666959 10 0.2 0.4648088567 0.2137935938 -0.4242753 -5.71880558 0.77676648 -3.97687863 0.3309864 -0.0926249 2.06043538 0.7899974 -0.00592657 0.24330515 0.14981155 1.71119342 4.26334036 -0.06347481 7.01336664 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-54-9 79 144210672 A Ac 3-Pyridinecarbonitrile N#Cc1cccnc1 Tox21_300354 -NCGC00254522-01 196699690 tox21-ror-cho-viability-p1 set1 4 61.130564862 8.214390308 -0.714390308 7.5 4.9549173134 0.3463301874 0.3267232824 0.70566197 -0.23130453 -2.30085403 -1.5233851 -1.46371962 -0.14901196 2.77590365 3.28380207 1.01192805 -1.2749399 -7.67865859 -0.15775107 -3.52754626 0.48793597 6.44440218 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51-79-6 5641 144210812 A A Urethane NC(=O)OCC Tox21_300494 -NCGC00182081-04 196697640 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -21.349575052 1 -20.349575052 4.0949729863 0.8701865292 0.0011635739 5.01666152 -0.5815964 0.2125774 0.5632549 0 1.55315108 5.09337504 0.37810002 0.46008195 0.54111964 0.42251721 0.0364551 0.80519219 -1.64800373 -15.70797921 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26615-21-4 5736 170465934 A Zotepine CN(C)CCOC1=Cc3ccccc3Sc2ccc(Cl)cc12 Tox21_113135_1 -NCGC00162359-04 196697634 tox21-ror-cho-viability-p1 set1 4 -2.34073614 -2.13874663 -2.84412948 -3.82035084 -4.01153604 2.46106525 -0.61865418 -4.04665548 2.07433604 -0.05716649 -4.85945825 -0.68141713 -2.87502723 1.86327356 2.25572197 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4272-74-6 73093 170466881 A N-alpha-p-Tosyl-L-lysine chloromethyl ketone hydrochloride Cl.Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCN)C(=O)CCl Tox21_111280_1 -NCGC00166245-04 196697635 tox21-ror-cho-viability-p1 set1 -2.2 26.6032120037 -63.6300887429 -0.627412201 -64.2575009439 4.4494702849 0.9501421463 0.0000082782 -1.06306297 -1.48396506 -10.5291467 0.16305837 -0.73689489 0.28927365 -1.24595837 0.39381391 -2.30297671 0.12176249 -0.6112284 7.30953789 0.62718164 -16.76558961 -58.96458412 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1811-28-5 9849425 170466523 A Proflavin hemisulfate O=S(=O)(O)O.Nc1cc2nc3cc(N)ccc3cc2cc1.Nc1cc2nc3cc(N)ccc3cc2cc1 Tox21_112371_1 -NCGC00258167-01 196716288 tox21-ror-cho-viability-p1 set2 4 -1.4369582 -0.39449137 -0.29143042 -3.14316232 -0.20806816 -1.44739822 -2.01432499 -0.62734948 -0.51412083 -0.02320632 0.16474416 -0.73249505 -3.42707585 1.45457529 -2.87210451 1.18E-9 2.6389999999E-9 5.9009999999E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.299E-7 7.376E-7 0.000001649 0.000003688 0.0000082469999999 0.00001844 0.000041229999999 0.0000922 797789-00-5 2734177 144207811 A A 1-Hexylpyridinium hexafluorophosphate F[P-](F)(F)(F)(F)F.CCCCCC[n+]1ccccc1 Tox21_200613 -NCGC00258091-01 196715871 tox21-ror-cho-viability-p1 set2 4 3.62356392 5.29891345 0.83942844 3.60489876 2.78525612 4.56695914 3.10563879 2.07401392 3.01552341 1.71266863 4.56056856 8.26705288 1.08339549 1.44463506 1.06953485 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.397E-7 0.0000016539999999 0.0000036979999999 0.0000082699999999 0.000018489999999 0.00004135 0.000092459999999 638-53-9 12530 144207735 Ac Ac Tridecanoic acid O=C(O)CCCCCCCCCCCC Tox21_200537 -NCGC00257702-01 196715877 tox21-ror-cho-viability-p1 set2 4 3.98112828 -0.2389565 1.23626494 -0.28263932 -0.50995338 1.99622414 -0.69589056 1.93581346 1.04166836 -0.68706825 1.0494511 0.52262199 -0.52227862 -0.52555215 -1.33327709 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 25265-77-4 6490 144207346 AC 2,2,4-Trimethyl-1,3-pentanediol monoisobutyrate CC(C)(COC(=O)C(C)C)C(O)C(C)C Tox21_200148 -NCGC00257716-01 196716281 tox21-ror-cho-viability-p1 set2 4 2.01518772 4.65505712 5.13876094 -0.89491649 -0.73061406 1.8085367 -1.85464633 -0.7549149 -2.20511375 -0.99575609 -1.95910677 5.1625541 0.50714232 1.80703116 3.28867264 1.1699999999E-9 2.6159999999E-9 5.85E-9 1.3079999999E-8 2.925E-8 6.54E-8 1.462E-7 3.27E-7 7.3119999999E-7 0.000001635 0.000003656 0.000008176 0.00001828 0.00004088 0.00009141 105-45-3 7757 144207360 A Ac Methyl acetoacetate CC(=O)CC(=O)OC Tox21_200162 -NCGC00257698-01 196716291 tox21-ror-cho-viability-p1 set2 4 5.17474935 2.86115806 -0.65034593 1.52931496 0.16923256 3.96926065 0.55686783 3.36591851 4.46682884 -1.43958975 3.18019814 -2.9390389 -0.5151209 0.38778793 -1.38669348 1.2049999999E-9 2.694E-9 6.0229999999E-9 1.347E-8 3.012E-8 6.7339999999E-8 1.506E-7 3.367E-7 7.529E-7 0.0000016839999999 0.0000037639999999 0.000008418 0.00001882 0.00004209 0.000094109999999 26471-62-5 11443 144207342 FC Toluene diisocyanate O=C=N/c1cc(ccc1C)\N=C=O Tox21_200144 -NCGC00257575-01 196716294 tox21-ror-cho-viability-p1 set2 4 1.9866271 1.13967425 -0.04993578 -5.39949852 3.18119125 -1.35553902 0.07260485 -4.4567804 -6.15524769 -4.20754386 0.18795054 -3.17194556 0.96478462 1.57730227 1.89215219 1.1919999999E-9 2.6649999999E-9 5.959E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.331E-7 7.449E-7 0.0000016659999999 0.000003725 0.0000083279999999 0.00001862 0.00004164 0.00009312 3682-19-7 3543259 144207219 A A 6-Nitrophthalhydrazide [O-][N+](=O)c1ccc2c(c1)C(=O)NNC2=O Tox21_200021 -NCGC00159418-05 196716713 tox21-ror-cho-viability-p1 set2 4 -5.04277801 -1.63577397 -3.05016305 -2.85828193 -2.63145504 -0.18618887 -1.1082404 -0.89402872 -1.54335095 -2.56078648 -0.43357639 -2.62330067 -10.09900754 -4.93087688 -5.78521415 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 37076-68-9 5386 170465809 A Tegafur FC1=CN(C(=O)NC1=O)C2CCCO2 Tox21_111649_1 -NCGC00015609-09 196716714 tox21-ror-cho-viability-p1 set2 4 4.624603 0.29932981 0.60741913 1.14555362 0.61875132 -1.10751744 2.83732855 3.42392129 0.81095057 -0.13718603 -1.87520865 4.51237391 2.89878938 0.81619401 3.40631708 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50264-69-2 39562 170466647 A Lonidamine O=C(O)c3nn(Cc1ccc(Cl)cc1Cl)c2ccccc23 Tox21_110181_1 -NCGC00253592-01 196717116 tox21-ror-cho-viability-p1 set2 -1.1 8.4126743008 -80.7467708266 -0.661039923 -81.4078107496 3.1924983358 0.9967249033 0 -3.17613615 1.86670559 0.6929538 0.69402526 0.97746214 -0.83272935 -0.95237162 -0.73582472 -0.21410838 -1.74786077 -3.57134398 -8.37436779 -46.02259325 -79.74369364 -79.00791948 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 481-85-6 10209 170465455 F F Menadiol Oc1cc(C)c(O)c2ccccc12 Tox21_113729 -NCGC00258605-01 196715475 tox21-ror-cho-viability-p1 set2 4 3.56611129 4.46183895 -1.46131868 2.76840443 -1.07945412 6.40398632 0.61607987 -12.07137832 1.46191343 2.03971587 -1.69401026 1.59065489 1.85703564 -0.64939702 0.7735023 1.213E-9 2.7119999999E-9 6.064E-9 1.3559999999E-8 3.0319999999E-8 6.78E-8 1.516E-7 3.39E-7 7.58E-7 0.000001695 0.0000037899999999 0.000008474 0.00001895 0.000042369999999 0.00009475 123-86-4 31272 144208250 FNS Butyl acetate CC(=O)OCCCC Tox21_201052 -NCGC00254269-01 196715074 tox21-ror-cho-viability-p1 set2 4 -2.25814657 -2.65483596 -1.55525211 1.21583441 1.02206428 -4.46333855 -8.73581768 -2.77003415 -0.0393492 -5.89400871 -5.31946877 -3.96552879 -7.01453589 0.56257054 -4.86001015 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 210826-40-7 9910393 144210780 D CP-456773 OC(C)(C)c1coc(c1)S(=O)(=O)NC(=O)Nc3c4CCCc4cc2CCCc23 Tox21_300462 -NCGC00258240-01 196715469 tox21-ror-cho-viability-p1 set2 4 -1.84693756 0.59721798 -5.52859521 -0.30782574 -2.17857418 -0.38306886 -4.48517173 1.03272643 -1.70372896 -3.00893844 -1.67939102 -1.41439006 -0.72358736 -8.6209989 0.42532627 1.1699999999E-9 2.617E-9 5.851E-9 1.3079999999E-8 2.926E-8 6.542E-8 1.463E-7 3.271E-7 7.314E-7 0.000001635 0.000003657 0.000008177 0.00001828 0.000040889999999 0.00009142 118-08-1 197835 144207884 A A Hydrastine CN2CCc1cc5OCOc5cc1[C@@H]2[C@H]4OC(=O)c3c(OC)c(ccc34)OC Tox21_200686 -NCGC00258245-01 196715474 tox21-ror-cho-viability-p1 set2 4 -2.99510501 -11.09812958 -10.1451849 -9.69634317 -2.68212326 -0.50086211 -9.31168456 -9.49428274 -2.40592124 -0.73519607 -8.84784888 -2.73332471 -8.57960966 -2.20202339 -0.06987206 1.1679999999E-9 2.6109999999E-9 5.838E-9 1.305E-8 2.919E-8 6.5269999999E-8 1.4599999999E-7 3.264E-7 7.298E-7 0.0000016319999999 0.0000036489999999 0.000008159 0.000018239999999 0.000040799999999 0.00009122 8008-26-2 144207889 FNS Lime oil Tox21_200691 -NCGC00260215-01 196711970 tox21-ror-cho-viability-p1 set2 -1.4 0.1532407781 -19.120290078 1 -18.120290078 3.9899729863 0.5244925362 0.1564789307 1.44256686 2.01828454 1.82186366 0.55468815 -0.47943935 -0.84404285 -8.2673577 -18.47635863 -35.7883183 -14.14862527 -1.61779016 -24.76894919 0 -20.87633893 -28.67672088 1.1779999999E-9 2.634E-9 5.891E-9 1.3169999999E-8 2.945E-8 6.586E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.0000036819999999 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009204 608140-12-1 16726630 144209865 A A 1-Methyl-1-propylpiperidinium bis(trifluoromethylsulfonyl)imide CCC[N+]1(C)CCCCC1.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F Tox21_202667 -NCGC00260016-01 196711553 tox21-ror-cho-viability-p1 set2 2.4 74.9284882841 28.767532936 -0.767532936 28 4.9549173134 0.9320994595 0.000044178 -0.09133526 -2.31850195 -1.55563258 0.76686249 1.35796162 -1.18371201 -3.13961078 1.22642795 -3.01563143 -2.60489712 -1.00423121 0.23515823 0.07839941 0.14858803 20.50983909 1.154E-9 2.5809999999E-9 5.772E-9 1.291E-8 2.886E-8 6.453E-8 1.443E-7 3.227E-7 7.215E-7 0.0000016129999999 0.000003607 0.000008066 0.000018039999999 0.000040329999999 0.00009018 26780-96-1 8981 144209665 Cc D 1,2-Dihydro-2,2,4-trimethylquinoline, polymer CC2=CC(C)(C)Nc1ccccc12 Tox21_202467 -NCGC00357168-01 196711962 tox21-ror-cho-viability-p1 set2 4 54.4826732819 17 2 19 0.6 0.5903359404 0.1047689431 2.73990249 0.43178461 2.12800247 2.08901896 1.62203027 0.05355724 3.10623619 5.47016702 10.12159122 1.5424895 2.21403441 8.41091109 4.9532629 8.38143238 14.83546111 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19721-22-3 88211 251919883 A 3-Mercapto-1-propanol OCCCS Tox21_303927 -NCGC00260370-01 196711965 tox21-ror-cho-viability-p1 set2 4 -1.88844795 -18.06688711 0 -8.46967757 -7.20474017 -30.77585898 0 -32.21873363 0 0 -0.06952265 0 0 -8.93358654 9.80034594 1.183E-9 2.644E-9 5.913E-9 1.322E-8 2.9569999999E-8 6.611E-8 1.4779999999E-7 3.306E-7 7.3909999999E-7 0.0000016529999999 0.000003696 0.0000082639999999 0.00001848 0.00004132 0.00009239 350-30-1 67688 144210022 A A 2-Chloro-1-fluoro-4-nitrobenzene Fc1ccc(cc1Cl)[N+]([O-])=O Tox21_202824 -NCGC00255693-01 196710332 tox21-ror-cho-viability-p1 set2 4 -0.06831503 -1.69027613 -0.60981597 -1.02981591 -0.21366005 -5.14956524 -1.02924538 1.87056364 -1.29906965 -0.08961601 -0.87355008 -0.69644458 -1.12342206 -1.7409682 1.3196824 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 533-23-3 10780 144212533 A F 2,4-D-ethyl ester Clc1cc(Cl)ccc1OCC(=O)OCC Tox21_302216 -NCGC00091044-02 196709510 tox21-ror-cho-viability-p1 set2 4 -3.34593747 1.53633427 -3.15139055 0.41658455 1.17932528 -3.56056039 -2.7468818 1.61778237 -2.40547245 0.20371175 -1.76905808 -1.93764203 1.78257079 1.02526316 0.33041083 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00255857-01 196709908 tox21-ror-cho-viability-p1 set2 -2.4 21.6899429044 -25.945347452 0.5 -25.445347452 1.1340999999 0.9408039782 0.0000211369 -0.12381915 2.63734321 -0.8048911 -0.41219823 -0.11331108 1.01668699 0.43105568 -1.40690091 0.54599305 2.71971671 -0.47344714 -9.31093037 -11.59628785 -14.83344309 -22.45445621 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13457-18-6 26033 144211676 A A Pyrazophos O=C(OCC)c1cn2nc(cc2nc1C)OP(=S)(OCC)OCC Tox21_301359 -NCGC00255484-01 196709916 tox21-ror-cho-viability-p1 set2 2.4 17.0188970548 77.5622636186 -17.7940620983 59.7682015203 4.9549173134 0.5183922922 0.1779820645 -7.17719757 -8.81935759 -1.15435958 -3.18087378 -11.11980173 -5.73082609 -6.78773459 -10.11770845 -4.95031486 -28.0632309 -76.12910459 -56.06160129 35.77548616 55.22958007 -29.1175315 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 60506-81-2 108956 144212039 D Dipentaerythritol pentaacrylate O=C(OCC(COCC(CO)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C Tox21_301722 -NCGC00090874-04 196710335 tox21-ror-cho-viability-p1 set2 4 0.001554288 9.123932356 -8.623932356 0.5 4.9549173134 0.4067950418 0.2856903062 -6.76994363 0.18640683 -1.88754672 0.07723951 -1.25690538 -0.37275462 0.85558025 2.81600937 4.64198159 -1.0942163 3.21887078 3.11430404 0.12454222 -4.31721567 -6.14656616 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00255733-01 196710337 tox21-ror-cho-viability-p1 set2 4 -5.22060898 -0.2601715 -0.8579258 -0.35110938 -0.49259764 -1.34159229 -0.56433147 -0.92678769 2.8108575 0.35497154 0.41445956 -1.18315583 0.04098597 2.02805601 3.76513015 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27775-00-4 119716 144212299 F Fns Isononanamine CC(C)CCCCCCN Tox21_301982 -NCGC00255533-01 196710755 tox21-ror-cho-viability-p1 set2 4 1.3116661 7.07001233 7.11130264 1.93936718 5.25940419 4.0692436 3.14032488 0.4389643 5.56175669 1.71492883 0.82915886 0.44376858 2.430353 3.05649394 0.39444357 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2179-57-9 16590 144212495 F F Diallyl disulfide C=CCSSCC=C Tox21_302178 -NCGC00090686-07 196711165 tox21-ror-cho-viability-p1 set2 4 0.0015355304 10.343784084 -8.343784084 2 4.9549173134 0.4885073201 0.1917212832 -6.11982007 2.45300986 -0.33836784 0.13847177 5.4163921 1.73013798 0.15608236 1.86511521 1.83810664 0.66401454 0.85285561 1.61507527 0.73194749 3.33378275 7.71925683 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00256359-01 196727787 tox21-ror-cho-viability-p1 set3 4 -3.45910859 -22.19163371 -1.45643939 -3.08486194 -1.07355151 0 0 0 -4.0078955 -1.25652138 -0.33986503 -5.36968382 -13.19552431 -2.88506839 2.00821627 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7758-19-2 23668197 144213117 Sodium chlorite [Na+].[O-]Cl=O Tox21_302800 -NCGC00258752-01 196729362 tox21-ror-cho-viability-p1 set3 4 38.3355515749 -13.325467724 1 -12.325467724 2.2526478767 0.8697075563 0.0011938936 -0.40782609 0.00212559 2.31270788 0.57957334 3.25289902 1.04138197 -0.11683537 0.76183136 -0.23979159 4.01057849 1.64700874 -0.30868893 0.31604635 -6.95669293 -10.68788977 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003668 0.000008201 0.00001834 0.000041009999999 0.00009169 82097-50-5 73282 144208398 A A Triasulfuron Cc2nc(NC(=O)NS(=O)(=O)c1ccccc1OCCCl)nc(OC)n2 Tox21_201200 -NCGC00258098-01 196729771 tox21-ror-cho-viability-p1 set3 4 123.2129494321 -12.883859008 0 -12.883859008 0.3 0.4074235604 0.268110944 -0.73874254 -0.89872662 1.32106918 0.75760852 -0.45645398 -0.48024564 -5.91990998 -4.18765638 -1.19339251 -0.37024977 -5.56894051 -4.2846891 -0.52773096 -3.47959496 -9.90321584 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.65E-8 1.487E-7 3.325E-7 7.4339999999E-7 0.000001662 0.0000037169999999 0.000008312 0.00001859 0.00004156 0.00009293 1470-57-1 73851 144207742 A A 2-Hydroxy-5-methylbenzophenone O=C(c1cc(C)ccc1O)c2ccccc2 Tox21_200544 -NCGC00258311-01 196729775 tox21-ror-cho-viability-p1 set3 4 0.36073989 0.23970004 -0.30134031 -0.6298689 1.39550466 1.53554417 2.53226916 3.57633428 2.83564474 0.34686418 -0.21424974 0.32017197 -0.59574568 -1.7395119 -2.21434094 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.0000036909999999 0.000008252 0.000018449999999 0.000041259999999 0.00009226 60-11-7 6053 144207955 A A 4-(Dimethylamino)azobenzene CN(C)c2ccc(/N=N/c1ccccc1)cc2 Tox21_200757 -NCGC00257510-01 196727776 tox21-ror-cho-viability-p1 set3 4 -0.73082196 4.00596702 1.23877683 2.37188576 -0.30637556 2.44238234 -0.57507895 0.23558402 0.45317122 0.58145417 0.49939439 9.33276446 4.68628186 -1.73554724 1.95931083 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5407-98-7 79414 144213831 A A Cyclobutyl phenyl ketone O=C(c1ccccc1)C2CCC2 Tox21_303524 -NCGC00256641-01 196727778 tox21-ror-cho-viability-p1 set3 4 -5.41427985 -0.12174513 -3.96401508 2.33228136 2.47078999 0 0 0 0 0 0 0.37098123 -0.58316791 2.08402353 -5.60812545 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1124-63-6 70763 144213937 A A 3-Cyclohexylpropan-1-ol OCCCC1CCCCC1 Tox21_303632 -NCGC00257227-01 196727781 tox21-ror-cho-viability-p1 set3 4 5.11626938 1.98378831 4.06480037 2.91967443 1.88654719 1.59494453 2.95637988 1.0719285 0.00851181 2.83695243 -2.85191097 1.89748804 4.13152992 -2.24577366 -1.27667671 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2426-08-6 17049 144213528 Fns Butyl glycidyl ether CCCCOCC1CO1 Tox21_303211 -NCGC00256853-01 196727788 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -14.3586173119 0 -14.3586173119 4.9549173134 0.7478791919 0.0205055081 0.70305795 0.60336613 1.38496542 -0.32612671 -0.80277169 -0.87765306 1.07294313 0.92986889 0.77311383 1.24885407 1.65773306 -5.49812067 -0.21815363 -0.17589835 -11.54884776 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 61295-41-8 43598 144212819 A B 3-(2-Methyl-3-furylthio)-4-heptanone CCC(Sc1ccoc1C)C(=O)CCC Tox21_302502 -NCGC00255738-01 196728603 tox21-ror-cho-viability-p1 set3 4 -8.05800831 3.54532946 -0.37211976 -0.84929677 3.2390629 -0.11911908 -0.85484424 0.76650572 1.26119617 1.10605622 -0.75322053 -2.74304907 -1.19133684 -2.22907648 -4.98011959 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 34123-59-6 36679 144211646 A A Isoproturon O=C(Nc1ccc(cc1)C(C)C)N(C)C Tox21_301329 -NCGC00090874-04 196728612 tox21-ror-cho-viability-p1 set3 4 -2.97977807 2.64939683 3.50000508 1.41807505 0.7780147 0.23366682 4.14345804 1.38775858 1.92471847 -0.0534958 3.90207875 -4.51729256 -5.70998762 -2.95685554 -2.42642556 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00256276-01 196728614 tox21-ror-cho-viability-p1 set3 4 -3.79457036 -5.73812282 1.0061063 1.56785947 -6.98408311 2.13676965 -1.98455854 5.56911834 -2.56890838 -4.00936885 -3.32171568 -0.57920731 -4.52718177 -2.21027038 -0.28750446 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-02-0 7170 144212643 A A Ethyl benzoylacetate O=C(CC(=O)OCC)c1ccccc1 Tox21_302326 -NCGC00255569-01 196728615 tox21-ror-cho-viability-p1 set3 -2.4 13.6854287769 -23.757537708 -1.5 -25.257537708 3.0654483358 0.8166336572 0.0079111605 -1.77689884 -2.56161364 -3.76385422 -8.58055203 -1.82510237 0.67261772 -3.13363413 -0.07929478 -0.40824877 -0.51111807 -2.22049065 1.64869242 -23.54794809 -22.17139452 -6.12052641 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2104-96-3 16422 144212235 D Bromofos Clc1cc(OP(=S)(OC)OC)c(Cl)cc1Br Tox21_301918 -NCGC00256044-01 196728619 tox21-ror-cho-viability-p1 set3 4 -1.06802105 4.66566217 2.61937434 3.37885091 0.69591822 3.6920939 1.24855975 -3.36605299 3.71229998 0.02701683 -1.62044514 -2.1435695 -0.79022076 0.5316225 8.8532279 1.1689999999E-9 2.6129999999E-9 5.843E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.461E-7 3.2659999999E-7 7.3029999999E-7 0.0000016329999999 0.000003652 0.0000081649999999 0.00001826 0.000040829999999 0.00009129 55635-13-7 23703451 144212704 A I Alloxydim-sodium [Na+].O=C1CC(C)(C)C(=C([O-])/C1=C(\CCC)NOCC=C)C(=O)OC Tox21_302387 -NCGC00253943-01 196719980 tox21-ror-cho-viability-p1 set3 4 0.000765689 28.506560744 -26.006560744 2.5 0.3 0.656319422 0.0605745898 -11.80575363 -18.33880062 -5.77158698 -4.61229957 -3.3345565 -4.61315897 -1.1861485 -7.49433527 0.50320762 -2.71417075 -4.86297846 -0.42397342 -0.00561905 3.54458774 4.83508343 4.9549999999E-10 1.1079999999E-9 2.477E-9 5.5399999999E-9 1.2389999999E-8 2.7699999999E-8 6.194E-8 1.385E-7 3.097E-7 6.9249999999E-7 0.000001548 0.000003462 0.000007742 0.00001731 0.00003871 83-67-0 5429 144210336 A A Theobromine Cn1cnc2c1C(=O)NC(=O)N2C Tox21_300016 -NCGC00254983-01 196719978 tox21-ror-cho-viability-p1 set3 4 2.44598839 1.24561874 6.80234828 0.55413136 4.19803685 5.06953409 0.07460944 7.02883649 -0.14067217 2.27513984 4.2178141 3.84321883 1.18644681 -0.39664422 3.98229468 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55283-68-6 41381 144211399 A Ethalfluralin [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CC(=C)C)CC)C(F)(F)F Tox21_301082 -NCGC00258722-01 196716661 tox21-ror-cho-viability-p1 set2 4 -0.31240899 1.82989095 2.2447047 1.36362725 0.10317092 -2.41664632 -0.93440996 2.86922562 2.18402165 0.23345086 -0.1892159 3.04665728 -0.20288379 0.0862173 -2.44681583 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.3289999999E-7 7.445E-7 0.000001665 0.0000037219999999 0.000008324 0.00001861 0.00004162 0.00009306 75-33-2 6364 144208368 D Isopropyl mercaptan CC(C)S Tox21_201170 -NCGC00257922-01 196716639 tox21-ror-cho-viability-p1 set2 4 15.3865400603 11.4874751359 -10.14472596 1.3427491759 0.4 0.5463329501 0.1402476069 -9.71161871 -12.2039383 -10.264893 -8.06894723 -6.94276832 -7.69119249 -8.91206469 -8.93885206 -7.93882994 -8.37464499 -0.79443902 -8.61970401 -7.07923176 -0.54770902 -2.19148239 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004128 0.00009231 82985-35-1 157882 144207566 FNS 3-(Trimethoxysilyl)-N-[3-(trimethoxysilyl)propyl]propan-1-amine CO[Si](CCCNCCC[Si](OC)(OC)OC)(OC)OC Tox21_200368 -NCGC00257630-01 196716651 tox21-ror-cho-viability-p1 set2 4 32.1511886351 -7.184649976 -1 -8.184649976 2.7202212143 0.6516948083 0.0649162437 -0.92383138 -0.8566538 -3.89186559 -2.66209393 -0.00729821 3.13976756 -0.35981808 -1.26060072 -0.42416531 -1.78324121 0.42493898 -1.63781396 -1.15039755 -6.30597835 -7.65387498 1.1159999999E-9 2.4949999999E-9 5.5799999999E-9 1.248E-8 2.79E-8 6.238E-8 1.395E-7 3.119E-7 6.975E-7 0.0000015599999999 0.000003487 0.0000077979999999 0.00001744 0.00003899 0.00008718 2955-38-6 4890 144207274 A A Prazepam Clc1ccc3c(c1)C(=NCC(=O)N3CC2CC2)c4ccccc4 Tox21_200076 -NCGC00257852-01 196716658 tox21-ror-cho-viability-p1 set2 4 0.0172114146 5.558744044 -4.558744044 1 4.9549173134 0.386598192 0.2864616771 -0.81791296 -6.58949561 -5.77364227 -4.55790518 3.88316308 -0.06098689 3.06683443 -7.54895337 3.83947432 0.40426239 -0.64134677 0.36491093 2.90366983 4.03134215 1.01125426 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.000018429999999 0.0000412 0.000092129999999 100-61-8 7515 144207496 A D N-Methylaniline CNc1ccccc1 Tox21_200298 -NCGC00253716-01 196717053 tox21-ror-cho-viability-p1 set2 4 -0.83540861 2.4678405 3.77528107 3.94850464 5.26086419 7.015725 7.09034862 5.71191639 1.46784403 -1.53158202 0.11279976 3.62757235 -1.53136035 -1.43362561 -1.64300463 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 40187-51-7 198212 170466748 A A 5-Acetylsalicylamide O=C(N)c1cc(ccc1O)C(C)=O Tox21_113835 -NCGC00179456-04 196717469 tox21-ror-cho-viability-p1 set2 4 1.33771214 0.78815507 1.63151719 0.42529625 -0.70513002 -4.86996973 1.48329905 -1.00108289 -0.82333239 0.03346667 1.14346716 -0.43019388 -0.41992946 -0.49765904 1.53855986 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 596-51-0 11693 170465427 A Glycopyrrolate bromide [Br-].C[N+]3(C)CCC(OC(=O)C(O)(c1ccccc1)C2CCCC2)C3 Tox21_113144_1 -NCGC00182031-01 196717477 tox21-ror-cho-viability-p1 set2 4 -0.27477442 -0.06913275 -4.44199231 -1.07093659 -1.27954162 -7.41455155 -6.53811678 0.61950045 -5.88022843 -0.54834204 -0.63538246 -0.3006558 1.25751135 -5.11121143 0.00030778 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 40054-69-1 3307 144206484 A A Etizolam Clc1ccccc1C4=NCc2nnc(C)n2c3sc(cc34)CC Tox21_112931 -NCGC00024870-06 196717490 tox21-ror-cho-viability-p1 set2 4 -1.82735489 -1.88984035 -2.98507482 -3.25616476 -0.71450802 -4.03512634 -1.92059726 -0.63779063 -3.16808198 -5.13548124 -1.97691702 -0.16089584 -2.33492289 -1.39008538 0.40749755 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80125-14-0 54477 170466425 A Remoxipride CCN2CCC[C@H]2CNC(=O)c1c(OC)ccc(Br)c1OC Tox21_110934_1 -NCGC00015959-09 196717885 tox21-ror-cho-viability-p1 set2 -1.1 3.2629448023 -73.3980800961 -5.4926942919 -78.890774388 2.3331733767 0.9840608391 1.27E-8 -8.28050802 -9.87485144 -11.07067716 -4.44064396 -1.51678463 -5.56012669 -1.920033 -7.92889382 -1.62482025 -3.01435947 -10.20870366 -22.51398664 -57.1550447 -78.24231199 -73.76950063 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 2447-54-3 5154 170466353 A Sanguinarine C[n+]2cc1c6OCOc6ccc1c3ccc4cc5OCOc5cc4c23 Tox21_110268_1 -NCGC00253741-01 196717908 tox21-ror-cho-viability-p1 set2 4 0.97792501 -1.15261158 1.50276885 4.06865442 5.41667662 4.46127283 4.01697659 -0.38913638 -0.50580418 -1.51772905 1.50261853 -0.76634691 3.19558763 3.25381226 0.78056886 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62140-67-4 6454351 170466668 A Ac Methyl 5-(ethylsulfonyl)-o-anisate O=S(=O)(CC)c1cc(c(OC)cc1)C(=O)OC Tox21_113858 -NCGC00095312-04 196713173 tox21-ror-cho-viability-p1 set2 4 0.28272295 3.73952512 1.36230289 4.28536573 4.00827678 4.00106409 -1.70684646 2.65673319 -2.35911591 2.33192343 1.7354559 3.58849408 4.05789978 2.11445888 2.75766485 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 169590-41-4 3058754 170465679 A Deracoxib NS(=O)(=O)c1ccc(cc1)n3nc(cc3c2ccc(OC)c(F)c2)C(F)F Tox21_111503_1 -NCGC00258374-01 196716053 tox21-ror-cho-viability-p1 set2 4 0.39382791 2.76824678 4.86702246 2.03741283 1.58814022 1.24643054 2.5305408 2.70076814 3.29518002 2.08762479 4.34643765 3.74244256 0.23221094 1.65470362 2.34414988 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.484E-7 3.317E-7 7.4179999999E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.000041469999999 0.000092719999999 536-90-3 10824 144208018 A A 3-Methoxyaniline Nc1cccc(OC)c1 Tox21_200820 -NCGC00159458-05 196713578 tox21-ror-cho-viability-p1 set2 -2.2 10.5909294584 -51.0668493429 0.334461902 -50.7323874409 1.01 0.9413302999 0.0000200426 -0.96449862 11.11403232 1.27996647 -0.81746187 -0.93185101 -1.53619064 -4.50029971 -2.31166912 -3.23893734 -1.66393787 -7.65795469 -11.65550548 -23.01026586 -35.45260217 -40.54134866 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 134523-03-8 60822 170465113 A Atorvastatin calcium [Ca+2].O[C@H](CCn1c(c(c(c1C(C)C)C(=O)Nc2ccccc2)c3ccccc3)c4ccc(F)cc4)C[C@@H](O)CC([O-])=O.[O-]C(=O)C[C@H](O)C[C@H](O)CCn4c(c1ccc(F)cc1)c(c2ccccc2)c(C(=O)Nc3ccccc3)c4C(C)C Tox21_111685_1 -NCGC00160445-02 196713169 tox21-ror-cho-viability-p1 set2 4 2.69793165 -1.21493795 -1.70719527 -5.41630525 0.41816117 -6.6831879 2.21126623 0.64930165 -1.78744608 -3.89875835 2.18006669 -2.98074777 1.6588225 -5.00287192 -5.92312812 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 496-67-3 2447 170465828 A Bromisovalum CC(C)C(Br)C(=O)NC(N)=O Tox21_111815_1 -NCGC00164512-02 196713178 tox21-ror-cho-viability-p1 set2 4 0.69948032 -0.45532153 0.60979087 1.49999147 0.78076222 0.72506109 0.22269384 -0.71134424 0.21983725 -0.88475535 1.03536987 0.23113319 1.19414566 0.67320766 -3.5786198 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 553-17-3 11104 170465684 A Guaiacol carbonate COc2ccccc2OC(=O)Oc1ccccc1OC Tox21_112147_1 -NCGC00015096-17 196713588 tox21-ror-cho-viability-p1 set2 -3 33.4914596268 -39.635403631 1.8639690115 -37.7714346195 4.9549173134 0.9317829972 0.0000449482 9.46439843 1.49784708 2.32109789 0.36721141 -0.01470666 1.84721863 2.5515651 2.34581629 1.72582798 2.15950504 1.41461502 -1.50192127 2.01358541 0.24972624 -33.25622134 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1951-25-3 2157 170464920 A Amiodarone hydrochloride CCN(CC)CCOc1c(I)cc(cc1I)C(=O)c2c3ccccc3oc2CCCC Tox21_110083_1 -NCGC00253718-01 196713593 tox21-ror-cho-viability-p1 set2 4 -0.0735728 -0.33191756 1.47025933 -0.09705893 0.91904099 2.00158971 0.73494815 0.37257301 -0.94204748 0.84856864 0.44866721 -0.28591322 1.10614361 1.17637791 -0.76577341 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61516-73-2 109094 170466722 A A Ethyl 2-oxopyrrolidin-2-ylacetate O=C(OCC)CN1CCCC1=O Tox21_113837 -NCGC00254230-01 196713988 tox21-ror-cho-viability-p1 set2 4 -1.13753354 -0.29723139 -0.35164769 -2.28272553 -0.71177539 -2.29167611 -2.00104046 1.32919449 1.77573228 1.7529219 0.31642654 1.7157602 0.72883705 1.46196084 1.10162366 8.7889999999E-10 1.965E-9 4.394E-9 9.826E-9 2.1969999999E-8 4.913E-8 1.099E-7 2.457E-7 5.493E-7 0.000001228 0.0000027469999999 0.000006141 0.000013729999999 0.00003071 0.00006866 159138-81-5 178019 144210551 A A Cariporide mesylate O=S(C)(=O)c1cc(ccc1C(C)C)C(=O)/N=C(\N)N.CS(=O)(=O)O Tox21_300231 -NCGC00254448-01 196714403 tox21-ror-cho-viability-p1 set2 4 0.71271015 -0.03172527 0.21356916 2.40163791 -1.25552843 2.48954393 -0.08195933 0.7164969 -0.10898333 -2.57029451 2.82817373 3.42998458 5.44954541 2.86420547 2.3432391 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-25-4 8170 144210863 A A 2-(Hexyloxy)ethanol OCCOCCCCCC Tox21_300545 -NCGC00254481-01 196714412 tox21-ror-cho-viability-p1 set2 4 -0.42698503 0.32432035 1.99287437 -0.08228353 0.3702755 -0.21481217 0.56077415 -0.53361812 1.06153796 3.38606703 3.17575325 5.60227003 6.85638335 3.30344254 6.61293979 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1563-66-2 2566 144210940 A A Carbofuran CNC(=O)Oc1cccc2CC(C)(C)Oc12 Tox21_300623 -NCGC00254969-01 196714413 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -11.888250684 1 -10.888250684 4.9549173134 0.8615815375 0.001624191 0.17270552 0.40554211 0.67893134 -0.43475998 0.8559534 1.91251669 1.13382672 1.27840511 -0.37353201 0.66765823 0.46318133 3.69817293 1.08734693 0.11594451 -8.65687557 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103764-33-6 60196415 144211385 A A 4-Methylumbelliferone hydrate O.Oc1ccc2c(c1)OC(=O)C=C2C Tox21_301068 -NCGC00254595-01 196714417 tox21-ror-cho-viability-p1 set2 4 -5.63206324 2.62496234 -0.43378853 3.16090982 0.98195213 -3.43852063 -1.68832116 -8.42329541 -5.05513175 -2.73496126 -0.49505198 -4.23103981 -3.13932869 -1.13997008 2.0662291 1.21E-9 2.7049999999E-9 6.0489999999E-9 1.353E-8 3.0249999999E-8 6.7629999999E-8 1.512E-7 3.382E-7 7.561E-7 0.000001691 0.000003781 0.000008454 0.0000189 0.00004227 0.00009452 100-06-1 7476 144211004 A A 4'-Methoxyacetophenone COc1ccc(cc1)C(C)=O Tox21_300687 -NCGC00254315-01 196714832 tox21-ror-cho-viability-p1 set2 4 -0.30092637 -4.01523381 -0.77130608 -7.13323996 -4.15100236 -1.87579316 -6.81914934 -9.08421982 6.17626936 -5.89472881 -0.82183614 -0.2574772 0.59444123 -1.53137649 0.61342817 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 375-95-1 67821 144210698 PFNA FC(F)(C(F)(F)C(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300380 -NCGC00257167-01 196726734 tox21-ror-cho-viability-p1 set3 -2.2 48.5577336745 -42.6145366224 0.9373082 -41.6772284224 3.1319983358 0.972323478 3.076E-7 4.12901768 2.51999559 -0.79215452 0.62970679 0.99044377 0.93531936 -1.43432892 1.52399887 1.02882466 0.96239694 -0.52848369 0.20301259 3.07465491 -16.26075227 -36.49790032 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 538-75-0 10868 144213554 A Ac Dicyclohexylcarbodiimide N(=C=N\C1CCCCC1)\C2CCCCC2 Tox21_303237 -NCGC00183046-03 196726311 tox21-ror-cho-viability-p1 set3 -2.4 33.4914596268 -27.779989972 -2 -29.779989972 4.5044702849 0.8199329825 0.0051040794 0 0 -4.07239219 -0.70217077 -1.61505234 -0.27549964 -6.8533298 3.26003207 -0.51838982 -3.72259422 -2.14933315 -7.61943579 -0.5777562 -4.86970033 -24.81665831 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 29216-28-2 4066 170465794 A Mequitazine c3ccc4Sc5ccccc5N(CC2CN1CCC2CC1)c4c3 Tox21_113648_1 -NCGC00159320-04 196726313 tox21-ror-cho-viability-p1 set3 4 0.0074978039 6.730647232 0.769352768 7.5 4.9549173134 0.4039407563 0.2857900785 3.64683013 0.49997121 -1.02553936 2.12536365 11.79236815 5.88636468 10.23771692 13.08899728 2.83728157 2.5256061 13.25448689 6.31624733 4.73537918 5.72479039 0.06557477 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67-78-7 6216 170464837 A Triamcinolone diacetate CC(=O)OCC(=O)[C@@]3(O)[C@@H](C[C@H]2[C@@H]4CCC1=CC(=O)C=C[C@]1(C)[C@@]4(F)[C@@H](O)C[C@@]23C)OC(C)=O Tox21_113119_1 -NCGC00256930-01 196726727 tox21-ror-cho-viability-p1 set3 -2.4 43.2771256911 -31.7816577825 2.8573241775 -28.924333605 2.3331733767 0.6962620031 0.0397447452 18.98769815 2.42989161 4.97365741 2.83662999 -2.08749147 0.20760359 2.54895899 -0.76762795 2.39360753 -2.07962459 -1.81231933 3.2528706 0.2572835 -13.4167192 -23.8658183 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-30-2 7013 144213392 A A N-Phenyl-1-naphthylamine c1ccc3ccccc3c1Nc2ccccc2 Tox21_303075 -NCGC00090721-03 196726737 tox21-ror-cho-viability-p1 set3 4 0.02917452 -0.38882729 1.33360036 -1.78529108 -1.10246324 -1.08810556 0.58424659 1.15486642 -0.41838858 1.42077483 3.96919065 1.09696067 0.41736264 0.96217376 -0.66645592 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.0000016459999999 0.00000368 0.000008228 0.000018399999999 0.000041139999999 0.000091989999999 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00256772-01 196726743 tox21-ror-cho-viability-p1 set3 4 1.10358122 0.26685607 -4.47882934 -0.67533025 0.6228141 1.56835834 2.82539244 0.71680039 4.67238288 2.96627046 1.91609237 0.67705149 0.67046829 -0.24161486 -0.56175106 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 33693-84-4 134976 144213012 A A tert-Butyl hydrogen phthalate O=C(O)c1ccccc1C(=O)OC(C)(C)C Tox21_302695 -NCGC00257320-01 196726747 tox21-ror-cho-viability-p1 set3 4 0.79050679 -1.1084514 3.71117453 3.68031053 0.2162541 0.64414873 0.41100402 -13.22732259 0.51436592 0 -0.54233129 3.33517702 4.47885462 2.90938175 -0.23515122 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-06-8 7076 144213835 A A 1,1':3',1''-Terphenyl c1cc(ccc1)c2cccc(c2)c3ccccc3 Tox21_303528 -NCGC00257352-01 196727151 tox21-ror-cho-viability-p1 set3 4 -1.49073695 -0.32682721 0.00146944 -0.62243482 0.47947619 -0.02122135 -0.6850997 1.31601471 0.99015022 -0.29993115 -0.69904057 -0.14658977 0.06171334 2.3096245 2.31808298 1.026E-9 2.295E-9 5.132E-9 1.148E-8 2.5659999999E-8 5.7379999999E-8 1.283E-7 2.8689999999E-7 6.4149999999E-7 0.000001434 0.0000032069999999 0.0000071719999999 0.00001604 0.00003586 0.000080189999999 604-75-1 4616 144213809 A A Oxazepam Clc1ccc2NC(=O)C(O)N=C(c2c1)c3ccccc3 Tox21_303501 -NCGC00256002-01 196727980 tox21-ror-cho-viability-p1 set3 4 30.6378586933 18.6180707559 -0.6180707559 18 4.9549173134 0.5178557897 0.1792134805 1.50067519 -0.79758196 -3.55501385 6.24860312 0.72547474 0.64570935 4.44349878 -2.41690122 -6.22843149 -5.44952101 -7.18172563 6.40164885 -3.09970411 17.14943554 6.7147628 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-89-4 6504 144211800 A A Acetyltriethyl citrate O=C(C)OC(CC(=O)OCC)(CC(=O)OCC)C(=O)OCC Tox21_301483 -NCGC00091483-03 196727977 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -20.87798288 -1.5 -22.37798288 3.1319983358 0.8284815384 0.0041623661 0.4937404 -2.04671121 2.78079287 -0.91662883 0.05272705 -0.74614365 -2.85216713 -2.86895001 -0.78927722 -1.48135401 -1.20370426 -5.56355097 -2.9547813 -4.81410403 -16.9816524 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00260651-01 196724735 tox21-ror-cho-viability-p1 set3 4 -3.6599106 1.59386595 -0.47071026 0.39609495 1.96102534 -3.98848542 -0.61753976 4.48962162 3.2779397 -1.39062209 -1.97415911 -1.26228149 -1.56359546 -2.99885073 0.73431326 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49547 144210304 M M NTP Mix92 ER AR1 18-EQP Tox21_203106 -NCGC00090986-03 196724322 tox21-ror-cho-viability-p1 set3 -3 77.4286392264 -34.619807236 -4 -38.619807236 4.9549173134 0.8486605907 0.0023529119 -3.85048998 -4.4436089 -7.45212639 -5.19637788 -4.263554 -9.32587058 -5.90654167 -6.69888258 -3.24060763 -1.23827421 -1.88633275 -3.89785438 -1.27085929 0.42835093 -30.51650603 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.000041429999999 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00254074-01 196699534 tox21-ror-cho-viability-p1 set1 4 7.6958821542 -5.902875664 1 -4.902875664 3.9899729863 0.393061676 0.2981869267 1.45889471 -1.19491299 -0.92206698 0.94048394 2.22765542 -0.30873755 1.43186232 -0.62316885 3.34979575 2.35496212 -0.17015572 -1.46613368 -10.33572972 0.52484958 -1.44375329 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-44-7 6598 144210436 FNS Dimethylcarbamoyl chloride CN(C)C(Cl)=O Tox21_300116 -NCGC00254342-01 196698720 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -40.3689765039 0.5 -39.8689765039 4.9549173134 0.7654815164 0.0151808352 4.17559803 3.08890897 -1.43968996 0.15589637 0.99705571 0.25380051 0.58297592 -4.10420947 2.27747199 4.68010328 3.39031893 2.93642673 -14.15784841 1.46828446 -32.80748042 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6344-67-8 96088 144210945 A A 3-Hydroxyfluorene Oc1cc2c3ccccc3Cc2cc1 Tox21_300628 -NCGC00253996-01 196699131 tox21-ror-cho-viability-p1 set1 4 -1.30718747 -0.74394508 0.23969729 0.60713208 -1.95510344 -0.54805886 -0.86003505 -1.82597144 -1.3267575 -0.60662494 0.86372539 -4.3404662 -1.10764627 -1.42323757 -0.42859637 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-46-6 8117 144210384 A A Diethylene glycol OCCOCCO Tox21_300064 -NCGC00254456-01 196699531 tox21-ror-cho-viability-p1 set1 4 -0.4315512 1.60537841 1.77759011 0.45634071 -0.00486946 1.48832144 -0.60075544 -0.30280507 -1.20751366 0.17495865 0.78249066 2.4241941 -1.2385077 0.15391744 5.03447062 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-11-4 5281 144210879 A Z Octadecanoic acid O=C(O)CCCCCCCCCCCCCCCCC Tox21_300562 -NCGC00163919-02 196699550 tox21-ror-cho-viability-p1 set1 4 1.2298052 -0.79389245 -1.50193843 -6.01320045 1.28863847 -5.58270645 -4.88672616 1.45686825 -4.69196653 0.17296842 -10.09081694 1.3113818 -4.50979756 -5.79945049 -12.46308859 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00254952-01 196699960 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -31.2557263239 2.5 -28.7557263239 4.0949729863 0.8815828176 0.0007438222 1.92917421 4.72320175 4.76115503 5.54761534 0.69779995 0.50139544 2.92802841 0.61105519 6.18983852 0.07041978 4.90550645 -0.61541884 -0.14884617 -0.7741875 -21.46310527 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78587-05-0 13218777 144211367 A A Hexythiazox Clc1ccc(cc1)[C@@H]2SC(=O)N([C@H]2C)C(=O)NC3CCCCC3 Tox21_301050 -NCGC00254408-01 196699966 tox21-ror-cho-viability-p1 set1 4 4.8557733675 -6.906322892 1 -5.906322892 1.34431 0.6927562624 0.0422114381 -0.06391828 2.92792021 4.6342147 -0.17204525 0.10782059 0.00774418 0.71053968 0.46148665 0.54866644 0.26500131 -3.72366737 -0.43671464 -7.83860241 -5.84155181 -4.36949949 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 115-86-6 8289 144210822 A A Triphenyl phosphate O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3 Tox21_300504 -NCGC00255137-01 196700363 tox21-ror-cho-viability-p1 set1 4 0.3857077887 5.6435325399 -3.1435325399 2.5 1.6258976909 0.4823640645 0.2130557445 -3.49662125 -3.94742251 -5.2873032 0.00647876 -0.0447534 -7.61961045 -0.15637256 0.35334951 -2.01053301 4.12919367 6.23663853 -0.00849074 0.03103056 3.41515876 -3.15785301 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60719-84-8 3698 144212164 A Ac Amrinone NC1=CC(=CNC1=O)c2ccncc2 Tox21_301847 -NCGC00255165-01 196700375 tox21-ror-cho-viability-p1 set1 4 0.17343696 -4.73387363 -2.16153195 1.58960723 1.13319058 -4.7418636 -7.40247735 -7.33350718 -7.28845472 -1.92353612 -2.22252311 -7.71569904 -4.48470094 1.57178096 -10.05569372 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1701-77-5 107202 144212302 A A Methoxyphenylacetic acid COC(C(=O)O)c1ccccc1 Tox21_301985 -NCGC00015385-18 196723639 tox21-ror-cho-viability-p1 set3 4 0.0023710138 29.728108808 -14.728108808 15 0.3 0.6303721091 0.0889220377 -10.60675734 4.48350866 3.35141213 6.96415163 2.2062809 4.18043056 5.06608606 2.73949477 7.9764843 16.27706199 15.21737093 13.87832599 9.10499401 12.45277041 -3.41636072 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-32-2 3108 170464694 A Dipyridamole OCCN(CCO)c2nc1c(nc(nc1c(n2)N3CCCCC3)N(CCO)CCO)N4CCCCC4 Tox21_110133_1 -NCGC00253635-01 196723629 tox21-ror-cho-viability-p1 set3 4 -2.10674623 -0.56125694 1.17268269 -0.8985412 20.03593613 -2.32356213 4.070122 0.02423647 12.63386932 6.44714221 7.66606488 -2.26926897 5.11852196 9.52226674 25.43086105 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21732-17-2 543207 170466698 A A 1H-Tetrazol-1-acetic acid O=C(O)Cn1cnnn1 Tox21_113762 -NCGC00016315-06 196723628 tox21-ror-cho-viability-p1 set3 4 4.83598544 5.45189666 3.8286874 2.1125407 2.9812612 2.96085745 -0.74475728 -0.08597133 6.93875167 2.97998819 5.53977556 2.78939771 0.20650623 6.11280363 18.43892445 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77-04-3 4994 170466442 A Pyrithyldione CCC1(CC)C(=O)C=CNC1=O Tox21_110368_1 -NCGC00181039-02 196723634 tox21-ror-cho-viability-p1 set3 4 37.5780357627 -29.269324584 11 -18.269324584 0.4 0.3697870572 0.3005532586 6.88046804 10.41744713 9.68798129 13.85898158 24.64785825 8.83050576 -0.45469175 -0.28567717 4.23578462 8.20547618 8.18199483 0.86515948 1.09398627 7.29439591 -11.89110382 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6114-21-2 5282184 170466006 F Ethyl linoleate O=C(CCCCCCC/C=C\C/C=C\CCCCC)OCC Tox21_112687_1 -NCGC00167532-02 196697708 tox21-ror-cho-viability-p1 set1 4 -2.18269061 -1.93636396 -1.35611005 0.62527444 -2.01969139 -0.65072894 0.12255117 -4.11123101 -3.33159202 0.40551252 -4.4101662 -3.45427828 -1.82333832 1.15538405 -0.23055806 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127294-70-6 65958 170465911 Ac Balofloxacin CNC1CCCN(C1)c2c(F)cc3c(c2OC)N(C=C(C3=O)C(=O)O)C4CC4 Tox21_112529_1 -NCGC00357089-01 196723885 tox21-ror-cho-viability-p1 set3 4 0.0015355304 17.953723092 -21.245110112 -3.29138702 0.8999999999 0.5944974363 0.1016484467 -16.03759176 -9.08933753 -2.85576044 -11.37984531 -1.07615585 -3.70532181 -7.6541451 -1.82335138 -2.70638735 -5.58767792 -3.43024983 -2.46771521 -2.62128357 -1.59619836 -2.85343077 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1139-30-6 1742210 251919856 A (-)Carophyllene oxide C=C2CC[C@H]3O[C@]3(C)CC[C@@H]1[C@@H]2CC1(C)C Tox21_303807 -NCGC00167466-02 196697733 tox21-ror-cho-viability-p1 set1 4 -4.59908293 0.5888347 -7.08951937 -7.70101265 -4.06365554 -1.78909796 -7.38170658 2.73818365 -7.20110354 0.27989531 -0.31775025 -2.90578598 -1.36483211 0.1777712 -8.37161114 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13010-47-4 3950 170464967 F Lomustine O=C(NC1CCCCC1)N(CCCl)N=O Tox21_112470_1 -NCGC00179641-03 196698124 tox21-ror-cho-viability-p1 set1 4 2.1814735 3.93104405 1.16114901 -6.64977353 0.02890755 1.35971725 0.00694738 -0.46815472 -1.45666976 -3.49126903 -0.23143701 -0.16798905 1.82761424 1.24188103 4.95973922 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 532-59-2 10766 170466662 A Amylocaine hydrochloride Cl.CN(C)CC(C)(OC(=O)c1ccccc1)CC Tox21_110455_1 -NCGC00273564-01 196698128 tox21-ror-cho-viability-p1 set1 4 0.38005099 0.00514548 -0.7699104 0.1361295 49.48709401 0.85792729 -1.30280714 -1.67780373 -0.41339478 -1.78019966 -0.69134548 0.38883786 0.39288886 -1.49076776 -1.30940519 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56741-95-8 65457 170465913 A Bropirimine BrC1=C(NC(N)=NC1=O)c2ccccc2 Tox21_112665_1 -NCGC00015908-09 196698137 tox21-ror-cho-viability-p1 set1 4 -1.97128641 -1.49038912 -3.09539512 -2.0143553 -2.0452696 1.51640297 -0.24273871 -3.13186348 -0.6994638 -0.14199389 -2.94925301 -1.62007109 -1.65723639 -2.37688564 -4.19559168 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1054-88-2 5268 170466264 A Spiroxatrine O=C5NCN(c1ccccc1)C25CCN(CC2)CC3COc4ccccc4O3 Tox21_110260_1 -NCGC00094969-05 196698143 tox21-ror-cho-viability-p1 set1 -2.4 23.7101376556 -30.955865684 2.5 -28.455865684 1.287561 0.9221514207 0.000090226 -0.0410313 3.92033534 5.95423952 3.71458673 3.18708381 1.34500757 -0.15465222 0.84759745 5.22660244 2.32935079 2.21937964 0.17349064 -6.37760453 -9.54353613 -20.37988807 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 117-37-3 2197 170465379 D Anisindione COc1ccc(cc1)C3C(=O)c2ccccc2C3=O Tox21_111370_1 -NCGC00066947-05 196698540 tox21-ror-cho-viability-p1 set1 4 1.19832441 -0.07690321 6.49767625 -0.21416465 1.22485514 -0.79749998 2.91125254 3.56297892 3.90788248 1.22358899 1.75630427 2.08204745 -0.2067078 0.50652639 0.41956532 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00160475-02 196698544 tox21-ror-cho-viability-p1 set1 4 -4.16236838 -0.64366394 -2.07244152 -0.52684211 -3.07013682 -2.14216339 0.04862544 -1.66483151 -7.77878162 -3.64001745 0.64604593 -0.55734695 -2.57089377 -0.91736843 1.04646263 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 886-08-8 5390109 170466235 D Norletimol Oc2ccccc2/C=N/Cc1ccccc1 Tox21_111839_1 -NCGC00254754-01 196720223 tox21-ror-cho-viability-p1 set3 -3 61.130564862 -44.4525980959 1.5 -42.9525980959 2.9022712143 0.8560016884 0.0018678108 6.21459247 5.61287303 1.95052185 2.04221059 5.45286297 0.27461468 2.68885187 -1.8522254 -4.89325434 5.25723195 -4.54847479 2.56728182 -4.86855409 -7.66104537 -32.87716508 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3337-71-1 18752 144211168 D Asulam Nc1ccc(cc1)S(=O)(=O)NC(=O)OC Tox21_300851 -NCGC00254040-01 196720204 tox21-ror-cho-viability-p1 set3 4 0.1722893406 3.9619510399 -2.9619510399 1 4.9549173134 0.3079936032 0.3627349933 -0.41899507 0.72327707 -6.99425019 2.45076621 -5.50408472 -7.8849592 -1.22776083 0.12699244 0.14682399 1.72477141 -0.47601027 -0.51953735 0.64851401 1.05440205 4.68817372 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58-55-9 2153 144210348 A A Theophylline O=C2c1ncnc1N(C)C(=O)N2C Tox21_300028 -NCGC00253995-01 196720206 tox21-ror-cho-viability-p1 set3 4 0.0136854288 16.4935663559 -15.9935663559 0.5 0.6999999999 0.8205335232 0.0050456693 -12.12704029 -14.99463863 -10.20573616 -5.42368502 -6.89301941 -3.57950507 1.21543992 -6.04695578 -0.89637683 0.77974892 1.49201568 0.5128616 -1.26582421 -1.86169776 3.86644258 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-00-5 7474 144210353 A Ac 1-Chloro-4-nitrobenzene O=[N+]([O-])c1ccc(Cl)cc1 Tox21_300033 -NCGC00254897-01 196720211 tox21-ror-cho-viability-p1 set3 4 0.0027139492 16.022986224 -16.522986224 -0.5 0.4 0.5149277255 0.1827657409 -8.43429347 -14.60248852 -3.50156279 -0.90001093 -8.79031308 -6.91019603 -2.42560782 -0.60984675 -1.52423436 -3.21347159 0.15227672 1.28632176 -2.119147 -1.89101161 -16.46878029 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 112281-77-3 80277 144211312 A A Tetraconazole FC(F)C(F)(F)OCC(Cn1cncn1)c2ccc(Cl)cc2Cl Tox21_300995 -NCGC00260044-01 196724449 tox21-ror-cho-viability-p1 set3 4 -3.12372851 -0.45340844 -0.49576804 0.04952872 -0.00595191 0.81103925 -1.7114203 2.89085076 -5.65167689 -4.21748243 -0.9915749 1.74510871 -5.56958905 4.13495223 2.36295206 1.196E-9 2.6729999999E-9 5.978E-9 1.337E-8 2.989E-8 6.683E-8 1.494E-7 3.3419999999E-7 7.4719999999E-7 0.000001671 0.000003736 0.0000083539999999 0.000018679999999 0.00004177 0.0000934 327-97-9 9476 144209693 A B Chlorogenic acid O[C@@H]2[C@H](O)C[C@](O)(C[C@H]2OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)O Tox21_202495 -NCGC00260674-01 196724446 tox21-ror-cho-viability-p1 set3 4 0.0016900355 19.930811408 -13.430811408 6.5 0.2 0.3063040803 0.3618217259 -11.57890687 -1.74311157 -2.05086891 -3.46483088 -8.87559158 0.392916 4.84176607 -12.44234284 4.3827749 -2.06888445 2.26198881 3.07419332 -1.09369089 0.246886 7.27316582 6.53E-11 1.4599999999E-10 3.265E-10 7.301E-10 1.632E-9 3.65E-9 8.162E-9 1.8249999999E-8 4.081E-8 9.1259999999E-8 2.0409999999E-7 4.563E-7 0.00000102 0.000002281 0.000005101 6289-46-9 94866 144209950 Fns Dimethyl succinylsuccinate COC(=O)C1CC(=O)C(CC1=O)C(=O)OC Tox21_202752 -NCGC00260620-01 196724451 tox21-ror-cho-viability-p1 set3 4 2.49517004 0.63652133 -7.55722977 2.00452074 -8.59473617 -1.4442008 -2.87919752 -8.75947932 -1.8016881 -2.48032392 -3.7722201 3.20207342 2.27114852 2.60005307 -1.12186348 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49516 144210273 M M NTP Mix96 ER1 10-EQP Tox21_203075 -NCGC00260481-01 196724453 tox21-ror-cho-viability-p1 set3 4 0.0017263982 9.5678927119 -10.0678927119 -0.5 4.9549173134 0.466300977 0.2289181558 -8.80657726 -1.7053964 1.70723444 3.51499563 2.42183161 -3.0371715 -2.67027173 -0.52435014 -0.79693994 -2.78523412 2.32629466 -3.09408477 -0.35292885 -3.88299513 -8.24663948 1.182E-9 2.6429999999E-9 5.91E-9 1.322E-8 2.955E-8 6.608E-8 1.4779999999E-7 3.304E-7 7.388E-7 0.0000016519999999 0.0000036939999999 0.0000082599999999 0.000018469999999 0.000041299999999 0.00009235 59-49-4 6043 144210133 A A 2-Benzoxazolinone O=C1Nc2ccccc2O1 Tox21_202935 -NCGC00357268-01 196724454 tox21-ror-cho-viability-p1 set3 4 0.0290810262 7.148261972 -6.148261972 1 4.9549173134 0.5988543713 0.0982890831 -1.30925526 -10.54021831 -10.11748072 0.35707618 -6.75343271 -7.86076798 -0.11096817 0.97308077 0.92271454 4.09147704 0.24862507 0.79232932 1.15196186 -0.90637092 2.44838222 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 3634-83-1 19262 251919746 F 1,3-Bis(isocyanatomethyl)benzene O=C=N\Cc1cccc(C/N=C=O)c1 Tox21_303869 -NCGC00178741-03 196725267 tox21-ror-cho-viability-p1 set3 4 -4.38282245 -0.37598877 1.83493143 9.19791112 -3.32835349 12.24669313 -3.48001986 4.83720815 2.43115263 -4.5603091 -6.16673547 10.27251994 9.10533016 6.26063853 -1.89185831 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 105816-04-4 5311309 170464822 A Nateglinide CC(C)[C@@H]1CC[C@H](CC1)C(=O)N[C@H](Cc2ccccc2)C(=O)O Tox21_111432_1 -NCGC00260546-01 196724857 tox21-ror-cho-viability-p1 set3 -1.1 0.3360731359 -99.4113599312 7.5478955564 -91.8634643748 1.8851180601 0.9660414354 9.776E-7 -0.55472216 6.11957188 3.75745662 3.26738409 9.2424034 11.62425579 8.27156608 15.57984411 5.73163394 -0.76413986 -1.97596832 -66.47249155 -81.65436394 -81.71678233 -85.05876331 5.916E-11 1.3229999999E-10 2.9579999999E-10 6.6149999999E-10 1.479E-9 3.307E-9 7.3949999999E-9 1.6539999999E-8 3.698E-8 8.268E-8 1.849E-7 4.134E-7 9.244E-7 0.000002067 0.000004622 56-35-9 16682746 144210199 F A Bis(tributyltin)oxide CCCC[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)CCCC Tox21_203001 -NCGC00260564-01 196724858 tox21-ror-cho-viability-p1 set3 4 0.0007497804 15.814403212 -15.814403212 0 4.9549173134 0.4139680926 0.2592214921 -12.34533601 2.32999059 -2.34581947 -1.9829124 3.64753356 -8.81139073 1.71548185 2.70076323 -4.44482045 0.92575924 3.43927833 -2.39418452 5.72215949 -1.26053361 2.37139291 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49460 144210217 M M NTP Mix72 CT1 62-EQP Tox21_203019 -NCGC00260331-01 196724872 tox21-ror-cho-viability-p1 set3 4 0.0003678969 9.899665808 -7.899665808 2 4.9549173134 0.3760669285 0.2987117679 -5.33305484 2.28073812 3.41004698 -1.88489216 4.70082416 -2.4435106 4.74335726 3.98975039 0.98148426 5.03568227 2.09695882 0.72508688 1.4161217 0.34072341 -0.54988871 2.961E-10 6.62E-10 1.4799999999E-9 3.31E-9 7.4009999999E-9 1.655E-8 3.701E-8 8.275E-8 1.85E-7 4.137E-7 9.2519999999E-7 0.000002069 0.000004626 0.00001034 0.000023129999999 1313-27-5 14802 144209983 Molybdenum trioxide O=[Mo](=O)=O Tox21_202785 -NCGC00160655-03 196725274 tox21-ror-cho-viability-p1 set3 -2.2 23.7101376556 -42.963440064 -3.000468902 -45.963908966 1.9673362061 0.8433648222 0.0027417116 -3.71022668 -14.10853338 -0.41877061 -6.28419679 -1.08126554 -5.93069761 3.28960647 1.51160014 -3.52461271 -4.04628583 -2.3442765 -0.03818415 -10.72778768 -21.49719413 -36.71508255 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3810-35-3 19646 170466466 A Tenonitrozole O=C(Nc1ncc(s1)[N+]([O-])=O)c2cccs2 Tox21_111962_1 -NCGC00167440-02 196725285 tox21-ror-cho-viability-p1 set3 4 0.0021131682 8.286396908 -9.286396908 -1 4.9549173134 0.4427606107 0.2323431825 -8.26822398 -10.23866409 -1.31334871 6.82703034 -0.31705612 -0.31267587 -0.31594651 -1.92866711 -6.13968516 -7.23256778 -1.60652108 0.67140809 0.44680069 -0.2993085 -2.60867496 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 147536-97-8 104865 170465245 A Bosentan CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc3nc(nc(OCCO)c3Oc2ccccc2OC)c4ncccn4 Tox21_112444_1 -NCGC00259154-01 196706115 tox21-ror-cho-viability-p1 set1 4 -6.09894526 -2.82247003 -7.85978265 -3.65762137 6.77020413 -0.43359982 3.46899954 6.93203266 3.00806233 -9.196225 -13.82472612 -4.72498588 -3.40227056 1.50863693 -5.09501537 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.000041259999999 0.000092249999999 93-76-5 1480 144208803 A A 2,4,5-Trichlorophenoxyacetic acid Clc1cc(OCC(=O)O)c(Cl)cc1Cl Tox21_201605 -NCGC00258877-01 196705712 tox21-ror-cho-viability-p1 set1 4 0.0277230805 6.1646775199 -6.1646775199 0 4.9549173134 0.4028175073 0.2702305421 -2.96328283 0.46211794 -10.33472959 -12.2205646 -2.24120057 5.03760972 -0.71794041 -0.00089308 1.46425073 0 -0.87865486 2.38488872 -4.20479565 0.81623162 -2.58071226 1.195E-9 2.6729999999E-9 5.9769999999E-9 1.337E-8 2.989E-8 6.683E-8 1.494E-7 3.341E-7 7.4709999999E-7 0.000001671 0.000003736 0.000008353 0.000018679999999 0.00004177 0.00009339 118-48-9 8359 144208523 A C 2H-3,1-Benzoxazine-2,4(1H)-dione O=C1OC(=O)Nc2ccccc12 Tox21_201325 -NCGC00259951-01 196705714 tox21-ror-cho-viability-p1 set1 4 15.3709205299 -18.3595939719 2.5 -15.8595939719 1.2221 0.7096477106 0.0339812555 -0.17389782 1.54861168 0.57882348 3.98664864 8.31237035 5.50308921 0.44381809 -0.27497767 -0.69759699 7.3868839 -4.53564755 0.19780969 -12.32881886 -7.3907474 -15.71632831 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.00004125 0.000092249999999 64-67-5 6163 144209600 A F Diethyl sulfate O=S(=O)(OCC)OCC Tox21_202402 -NCGC00258966-01 196706108 tox21-ror-cho-viability-p1 set1 4 5.63968044 0.53050495 -1.07679638 2.01575728 1.30415429 0.27488133 0.55057062 3.93550693 2.63028416 3.15533756 -0.5467704 -0.64506865 2.15500422 -0.02042725 -0.03085349 1.172E-9 2.621E-9 5.8609999999E-9 1.311E-8 2.931E-8 6.553E-8 1.465E-7 3.276E-7 7.326E-7 0.0000016379999999 0.0000036629999999 0.000008191 0.00001832 0.00004096 0.00009158 124-13-0 454 144208613 B D Octanal CCCCCCCC=O Tox21_201415 -NCGC00259291-01 196706126 tox21-ror-cho-viability-p1 set1 -1.2 18.6451801553 -53.3593797124 1.8061055124 -51.5532742 1.9673362061 0.9568526327 0.0000037326 3.89481285 3.69896913 1.57304991 2.73262564 1.20581931 3.61070607 1.23831922 -1.97396147 3.34277335 4.25016125 -3.37006261 -11.52446178 -18.27381135 -49.6277285 -44.45992223 1.1449999999E-9 2.559E-9 5.7229999999E-9 1.28E-8 2.861E-8 6.398E-8 1.431E-7 3.199E-7 7.154E-7 0.0000016 0.000003577 0.000007998 0.000017879999999 0.00003999 0.00008942 111-30-8 3485 144208940 D Glutaraldehyde O=CCCCC=O Tox21_201742 -NCGC00259400-01 196706525 tox21-ror-cho-viability-p1 set1 4 -0.5348381 -1.46078094 -6.07997954 -0.48678826 0.23742668 0.31336369 -2.64629119 -0.04881759 8.0707583 -2.80777462 -4.36528408 -5.56369289 -3.48941095 -3.6489155 -3.05517518 1.1679999999E-9 2.6129999999E-9 5.8419999999E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.4599999999E-7 3.2659999999E-7 7.3019999999E-7 0.0000016329999999 0.0000036509999999 0.000008164 0.00001826 0.00004082 0.00009128 1143-38-0 2202 144209049 FC Anthralin Oc2cccc1Cc3cccc(O)c3C(=O)c12 Tox21_201851 -NCGC00164164-02 196704065 tox21-ror-cho-viability-p1 set1 4 0.002730602 -11.5750215799 -2.107261692 -13.6822832719 2.2526478767 0.4130557875 0.260461935 -4.25605141 -7.13474801 -12.19569526 -15.24946501 -20.98523606 -10.16174614 -12.72902613 -8.85885832 -7.09019822 -13.40958421 -17.17107106 -16.88617062 -15.16155389 -14.17006435 -13.62336532 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00356963-01 196703641 tox21-ror-cho-viability-p1 set1 4 -5.38841247 -10.26376021 -2.59700946 -5.72853857 -13.55454834 -6.3053799 -6.23228188 -10.33359863 1.89146336 -8.7126182 -8.90390642 -6.94713639 -1.82603133 1.01884415 -4.01621102 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-29-0 8882 251919700 Cyclopentene C1C=CCC1 Tox21_303765 -NCGC00090942-03 196703653 tox21-ror-cho-viability-p1 set1 -2.1 61.130564862 -101.8348404206 -2.807666508 -104.6425069286 3.9294729863 0.9479836988 0.0000104262 -5.83348435 -4.90370763 -5.28683572 10.43637452 -10.30876934 -0.38623629 -0.02429862 -0.02887601 0.16918924 -0.31040136 -3.76657503 -12.10027451 -3.61850386 -21.83460852 -87.64029056 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00260157-01 196704056 tox21-ror-cho-viability-p1 set1 4 0.0030700184 -11.794185188 1.5 -10.294185188 3.0654483358 0.4351730001 0.2389022356 -0.58786865 0.20655708 -14.73224927 -11.41850459 -3.89284368 -5.16281428 -14.11153769 -8.51091389 -15.1312554 -12.65848316 -10.37591867 -15.66182099 -8.60584458 -6.80332705 -10.05146207 1.182E-9 2.6429999999E-9 5.9109999999E-9 1.322E-8 2.955E-8 6.608E-8 1.4779999999E-7 3.304E-7 7.388E-7 0.0000016519999999 0.0000036939999999 0.0000082599999999 0.000018469999999 0.000041299999999 0.00009235 4655-34-9 20769 144209807 Fns Isopropyl methacrylate C=C(C)C(=O)OC(C)C Tox21_202609 -NCGC00357274-01 196704074 tox21-ror-cho-viability-p1 set1 4 2.41387106 0.02683158 -0.67300407 2.30737144 3.04419479 -0.01016966 -0.21003276 5.19938117 3.25907367 1.2899675 0.94840524 -0.27191527 0.37672087 1.93710742 7.51305165 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 589-66-2 61135 251919821 Ac 2-Methylpropyl but-2-enoate CC(C)COC(=O)C=CC Tox21_303966 -NCGC00357077-01 196704076 tox21-ror-cho-viability-p1 set1 4 -1.6011737 -0.97392561 0.55757687 -3.740289 1.4264329 -11.8577516 0.87814973 -3.48237503 -0.86273651 -2.35078751 -2.35972119 0.78476925 -2.57850849 -0.34655737 -1.17222704 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1885-38-7 1550846 251919789 A (2E)-3-Phenylprop-2-enenitrile N#C\C=C\c1ccccc1 Tox21_303789 -NCGC00253703-01 196704471 tox21-ror-cho-viability-p1 set1 4 -0.41626978 1.61934696 -0.43436068 -0.52095408 2.22392258 -0.04444746 1.8704158 -3.36318438 -0.1315506 -0.6470971 -6.47344033 1.19635897 3.13020089 0.39725308 -0.69951947 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5081-87-8 78766 170466704 B C 3-(2-Chloroethyl)quinazoline-2,4(1H,3H)-dione O=C1c2ccccc2NC(=O)N1CCCl Tox21_113823 -NCGC00356967-01 196703871 tox21-ror-cho-viability-p1 set1 -2.2 43.2771256911 -38.772457964 0 -38.772457964 2.2526478767 0.7856021175 0.0105904743 2.85788971 1.45175627 -2.28768951 1.56859488 5.12223552 -3.62952395 2.98442508 -1.98096088 2.81276283 -0.54342509 -14.36427493 -1.03637699 1.20520191 -21.8974764 -31.89371497 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14938-35-3 26975 251919782 A 4-Pentylphenol Oc1ccc(CCCCC)cc1 Tox21_303837 -NCGC00357044-01 196703473 tox21-ror-cho-viability-p1 set1 4 1.76372687 0.30939072 0.72087813 0.41548696 0.96838354 -0.3656333 2.02730059 1.29147127 -1.01716895 -0.10272912 -4.05306359 2.74714296 1.09542577 0.37348166 0.65122663 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-61-2 6977 251919967 A 1,4-Dichloro-2-nitrobenzene O=[N+]([O-])c1cc(Cl)ccc1Cl Tox21_303735 -NCGC00260526-01 196703478 tox21-ror-cho-viability-p1 set1 4 17.3341131367 -8.44752008 0.5 -7.94752008 1.331 0.5810746005 0.1124477285 0.44685846 -2.45906672 -0.14976701 0.80907926 0.57787651 0.06711637 1.47040956 4.63409984 -0.44128718 0.68715982 -0.14855946 -4.94649156 0.1414359 -9.1229334 -5.79978639 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.6299999999E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008287 0.00001853 0.000041439999999 0.00009265 56803-37-3 70425 144210178 C C tert-Butylphenyl diphenyl phosphate CC(C)(C)c3ccc(OP(=O)(Oc1ccccc1)Oc2ccccc2)cc3 Tox21_202980 -NCGC00259844-01 196703873 tox21-ror-cho-viability-p1 set1 4 0.273060203 -8.036807432 -2 -10.036807432 1.0999999999 0.3928670918 0.2790942795 0.07479081 -0.88210841 -1.32455256 -4.96927715 -10.44147581 0.93119965 0.116607 -4.51693017 -12.89849289 -13.22407907 -10.59831991 -16.28067286 -4.73439978 -4.34429223 -9.08320441 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.00001844 0.000041219999999 0.00009218 10605-21-7 25429 144209493 A A Carbendazim O=C(OC)Nc1nc2ccccc2n1 Tox21_202295 -NCGC00258100-01 196701823 tox21-ror-cho-viability-p1 set1 -2.2 54.8707457568 -45.708074236 2.849161596 -42.85891264 2.8472712143 0.8508213883 0.0021958301 0.31677905 5.65945927 3.47595838 4.51047672 2.07111702 2.89482558 6.25255047 4.20030157 5.84634706 -5.56639186 8.38573822 -7.37214793 3.102738 -11.66274199 -34.63102986 1.187E-9 2.6549999999E-9 5.936E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.3189999999E-7 7.42E-7 0.000001659 0.0000037099999999 0.0000082959999999 0.00001855 0.000041479999999 0.00009276 2664-60-0 17569 144207744 A A Dodecylparaben Oc1ccc(cc1)C(=O)OCCCCCCCCCCCC Tox21_200546 -NCGC00255713-01 196701416 tox21-ror-cho-viability-p1 set1 -1.1 1.3685428777 -85.603824756 -2.773569516 -88.377394272 1.826479391 0.9929749575 0.0152678968 -0.31430495 -4.29426114 -5.26109799 -5.5673492 0.67590946 -2.28328227 -6.09797064 -9.40844374 -17.98396737 -57.55819729 -75.59613975 -20.41577572 -85.8942745 -92.0597857 -84.37523346 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13967-50-5 6857648 144212551 Potassium dicyanoaurate [K+].N#C[Au-]C#N Tox21_302234 -NCGC00255580-01 196701424 tox21-ror-cho-viability-p1 set1 4 -1.61794725 1.71461864 -1.90841366 3.38194544 3.42330819 2.70454662 2.29858371 2.22603426 0.38659462 5.67294093 1.18831076 -1.52854986 -0.75064629 5.74507638 7.04392329 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24579-73-5 32490 144211530 A A Propamocarb O=C(NCCCN(C)C)OCCC Tox21_301213 -NCGC00257561-01 196701819 tox21-ror-cho-viability-p1 set1 4 0.34927257 -1.33440857 -2.07822005 0.51447121 -3.38527017 -0.91949494 -0.72412885 0.57726418 -3.60152022 -0.03449194 -1.58798554 0.72757833 -3.94340088 0.57166335 5.1419799 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.324E-8 2.959E-8 6.618E-8 1.4799999999E-7 3.309E-7 7.399E-7 0.0000016539999999 0.0000036989999999 0.000008272 0.0000185 0.00004136 0.00009248 7779-65-9 62660 144207205 A A 3-Methylbutyl cinnamate CC(C)CCOC(=O)C=Cc1ccccc1 Tox21_200007 -NCGC00090708-05 196701832 tox21-ror-cho-viability-p1 set1 4 10.8707224818 -14.728544804 2.5 -12.228544804 1.6266150999 0.8149401319 0.0057591939 0.53645761 0.31941619 0.40208093 6.07075989 -0.4896817 4.53947221 2.08951647 0.70435166 7.46356098 -0.26400315 2.32399923 -4.41719156 -7.51782654 -9.70045001 -11.85712067 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00258390-01 196701835 tox21-ror-cho-viability-p1 set1 4 0.80169609 2.40170054 -0.13420436 -0.15569442 0.0048872 1.03509912 -0.11799072 5.77045098 -2.88470256 1.61254444 3.6698813 2.19745287 4.02099869 4.74936722 4.94550699 1.1689999999E-9 2.614E-9 5.845E-9 1.3069999999E-8 2.922E-8 6.535E-8 1.461E-7 3.267E-7 7.306E-7 0.0000016339999999 0.000003653 0.000008169 0.00001827 0.00004084 0.00009133 5397-31-9 21499 144208034 A Ac 3-((2-Ethylhexyl)oxy)propylamine CCCCC(COCCCN)CC Tox21_200836 -NCGC00257871-01 196701837 tox21-ror-cho-viability-p1 set1 4 -2.32995189 -4.62945076 -5.74513024 -1.03148361 1.60572953 -4.81514162 -8.72550269 -4.08453344 -1.81049639 -2.047725 -0.54475314 0.21399613 -4.4710295 -3.09553901 -3.93225455 1.164E-9 2.603E-9 5.8199999999E-9 1.301E-8 2.91E-8 6.507E-8 1.4549999999E-7 3.254E-7 7.276E-7 0.0000016269999999 0.0000036379999999 0.000008134 0.00001819 0.00004067 0.00009094 4403-61-6 6028739 144207515 FNS 2-Methyl-2-butenenitrile C\C=C(\C)C#N Tox21_200317 -NCGC00258293-01 196702240 tox21-ror-cho-viability-p1 set1 4 26.5856308782 -10.438930548 1 -9.438930548 4.9549173134 0.3918246053 0.2978648207 2.69055363 0.62983173 0.58212908 9.18060639 0 3.08145393 -4.20151773 -0.32846333 -4.14999565 1.85618592 0.40986773 0.80076709 0.06140277 -8.69910879 1.17520768 1.154E-9 2.5799999999E-9 5.7689999999E-9 1.29E-8 2.884E-8 6.45E-8 1.4419999999E-7 3.225E-7 7.211E-7 0.000001612 0.000003606 0.0000080619999999 0.00001803 0.00004031 0.00009014 503-30-0 10423 144207937 FNS 1,3-Propylene oxide C1CCO1 Tox21_200739 -NCGC00257883-01 196702653 tox21-ror-cho-viability-p1 set1 4 -9.79878597 -1.87682114 -12.7571668 -3.40891704 -16.93875593 -0.00948704 -6.8368427 -12.84045106 0.49437766 -14.90546617 -17.58691362 -10.81396555 -15.23123913 -13.83104378 -19.94645568 1.1699999999E-9 2.6159999999E-9 5.849E-9 1.3079999999E-8 2.9239999999E-8 6.539E-8 1.462E-7 3.27E-7 7.311E-7 0.000001635 0.0000036549999999 0.0000081739999999 0.00001828 0.000040869999999 0.000091389999999 551-06-4 11080 144207527 D alpha-Naphylisothiocyanate S=C=N\c2cccc1ccccc12 Tox21_200329 -NCGC00257659-01 196730006 tox21-ror-cho-viability-p1 set3 -2.2 47.4242018893 -62.9499729232 1.568740848 -61.3812320752 3.5117481694 0.9909078624 5E-10 0.59157713 -0.15448499 3.33942621 0.71586532 1.54474338 0.52014915 0.45662694 1.79011261 1.8702368 0.15110057 0.53596272 0.77097671 3.34196116 -20.07101477 -55.97063036 1.157E-9 2.587E-9 5.784E-9 1.293E-8 2.892E-8 6.467E-8 1.446E-7 3.234E-7 7.2309999999E-7 0.000001617 0.000003615 0.000008084 0.000018079999999 0.00004042 0.000090379999999 4901-51-3 21013 144207303 A A 2,3,4,5-Tetrachlorophenol Clc1c(O)cc(Cl)c(Cl)c1Cl Tox21_200105 -NCGC00258103-01 196730005 tox21-ror-cho-viability-p1 set3 4 2.65017219 3.83273721 0.19536717 -0.24763389 0.61910469 -2.07660699 -0.00281144 -1.5823708 -0.2148336 -1.50395835 0.234928 -2.30837302 -0.73448654 0.67208242 0.57635152 1.1779999999E-9 2.633E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.00000368 0.00000823 0.000018399999999 0.00004115 0.00009201 41351-30-8 56638112 144207747 A A 2,4-Dimethoxy-4'-hydroxy benzophenone COc2cc(ccc2C(=O)c1cccc(O)c1)OC Tox21_200549 -NCGC00091775-03 196730011 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -13.843114164 1 -12.843114164 4.9549173134 0.6061701796 0.0935971792 -0.55582144 0.33725801 0.59017861 1.03562348 5.55272863 -0.22965817 4.10097972 0.62273308 5.15180316 -1.00041024 -1.13514346 -1.50691464 -1.43958939 1.58944275 -10.28592847 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00257600-01 196729669 tox21-ror-cho-viability-p1 set3 4 -2.20810778 0.72508716 -0.91466842 -0.98389986 2.34485098 -10.1155558 -0.92859189 -3.14681612 0 -10.65389795 -3.10531697 -1.56861047 -7.48486757 -6.77634471 0.4484785 1.164E-9 2.602E-9 5.819E-9 1.301E-8 2.91E-8 6.506E-8 1.4549999999E-7 3.253E-7 7.274E-7 0.0000016269999999 0.0000036369999999 0.0000081329999999 0.00001819 0.000040659999999 0.00009093 143-23-7 8924 144207244 FC N-(6-Aminohexyl)hexane-1,6-diamine NCCCCCCNCCCCCCN Tox21_200046 -NCGC00258426-01 196729275 tox21-ror-cho-viability-p1 set3 -2.4 12.1599490569 -31.327634392 0.5 -30.827634392 1.6604358099 0.9241918914 0.0000781753 1.74620689 0.07756115 1.50033648 1.15216581 1.48603649 3.14997612 -9.57463888 1.3977579 1.56655896 -1.79900337 -1.02653445 -13.07740777 -18.94275828 -28.51895905 -29.02302866 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.0000016459999999 0.00000368 0.000008228 0.000018399999999 0.000041139999999 0.000091989999999 131-89-5 8540 144208070 A A Dinex [O-][N+](=O)c1cc(c(O)c(c1)[N+]([O-])=O)C2CCCCC2 Tox21_200872 -NCGC00258212-01 196729667 tox21-ror-cho-viability-p1 set3 4 0.45330064 -3.11491524 -3.10765627 0.39612265 -4.15512245 -2.17637854 -3.66035362 -2.90445578 -0.40630749 -2.66684406 -2.94376029 0 -2.4544961 -0.4615352 -0.64793507 1.2049999999E-9 2.694E-9 6.0229999999E-9 1.347E-8 3.012E-8 6.7339999999E-8 1.506E-7 3.367E-7 7.529E-7 0.0000016839999999 0.000003765 0.000008418 0.00001882 0.00004209 0.00009412 95-47-6 7237 144207856 FC ortho-Xylene Cc1ccccc1C Tox21_200658 -NCGC00258069-01 196729668 tox21-ror-cho-viability-p1 set3 4 0.95063213 -0.03306324 -5.63657871 0.59750556 -1.53997229 0.19081726 -0.49879192 -0.79613371 -0.94370856 -5.7538082 -0.92439535 0.2092717 -1.67271911 -1.90455661 1.75012126 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004107 0.00009184 128-44-9 656582 144207713 A A Sodium saccharin [Na+].O=C1[N-]S(=O)(=O)c2ccccc12 Tox21_200515 -NCGC00258400-01 196729682 tox21-ror-cho-viability-p1 set3 4 0.3472612736 -4.719475904 1 -3.719475904 1.4641 0.4088761769 0.282557195 0.90868369 0.9725079 -0.20129007 2.40054699 0.32187263 0.84028807 1.23257735 -0.48985567 -6.70660665 1.94561979 -6.80141011 -0.82878989 -8.51622992 -1.7852522 0.63616037 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.6509999999E-8 1.487E-7 3.325E-7 7.436E-7 0.000001663 0.000003718 0.000008313 0.00001859 0.00004157 0.000092939999999 2104-09-8 16420 144208044 A A 2-Amino-4-(p-nitrophenyl)thiazole Nc1nc(cs1)c2ccc(cc2)[N+]([O-])=O Tox21_200846 -NCGC00257731-01 196729688 tox21-ror-cho-viability-p1 set3 4 0.27179817 3.26220816 1.1606067 -1.08692626 1.44508177 2.31506058 0.91787931 1.22746611 -1.19310386 -0.74073075 2.59537617 -1.4770536 0.50964222 -1.38668111 -2.65387979 1.1689999999E-9 2.615E-9 5.8459999999E-9 1.3069999999E-8 2.9229999999E-8 6.536E-8 1.462E-7 3.268E-7 7.308E-7 0.0000016339999999 0.0000036539999999 0.0000081709999999 0.00001827 0.00004085 0.000091349999999 110-96-3 8085 144207375 FNS Diisobutylamine CC(C)CNCC(C)C Tox21_200177 -NCGC00257854-01 196730093 tox21-ror-cho-viability-p1 set3 4 -7.19025521 -0.67911267 0.45605274 -1.91968613 0.32271522 0.09880231 -7.14258005 0.10265177 -0.29410349 -0.9146237 -0.23907881 -0.62988756 10.59141157 -8.26982639 6.74080996 1.163E-9 2.5999999999E-9 5.813E-9 1.2999999999E-8 2.9069999999E-8 6.499E-8 1.453E-7 3.25E-7 7.266E-7 0.000001625 0.0000036329999999 0.000008124 0.00001817 0.000040619999999 0.00009083 1761-71-3 15660 144207498 I A 4,4'-Diaminodicyclohexylmethane NC2CCC(CC1CCC(N)CC1)CC2 Tox21_200300 -NCGC00258306-01 196730098 tox21-ror-cho-viability-p1 set3 4 -2.07705928 -1.61337775 1.58078409 1.63256128 0.28965405 -1.66368761 2.26518364 2.48348831 2.53829628 3.55123228 2.19308834 0.55201598 -0.1529964 -0.56357594 1.49977356 1.2009999999E-9 2.6849999999E-9 6.0039999999E-9 1.3419999999E-8 3.002E-8 6.712E-8 1.501E-7 3.356E-7 7.505E-7 0.0000016779999999 0.0000037519999999 0.00000839 0.00001876 0.00004195 0.00009381 178631-05-5 12036651 144207950 D 1-Hexyl-3-methylimidazolium iodide [I-].C[n+]1ccn(CCCCCC)c1 Tox21_200752 -NCGC00257834-01 196730500 tox21-ror-cho-viability-p1 set3 4 8.8020335521 8.4101350559 -1.4101350559 7 4.9549173134 0.7103816062 0.0340211513 -3.83133485 -4.37567498 -0.05309009 1.10217354 -0.82771213 1.03898874 0.8370652 0.65810275 -5.75844588 -0.29980667 -3.62079986 2.20143935 5.94324092 7.76698155 6.6408182 1.1989999999E-9 2.6809999999E-9 5.9959999999E-9 1.3409999999E-8 2.998E-8 6.704E-8 1.4989999999E-7 3.352E-7 7.495E-7 0.000001676 0.000003747 0.00000838 0.000018739999999 0.000041899999999 0.000093689999999 109-67-1 8004 144207478 FNS 1-Pentene CCCC=C Tox21_200280 -NCGC00258088-01 196730513 tox21-ror-cho-viability-p1 set3 4 1.44675131 -11.83933837 1.69324327 -0.61719766 0.23860426 1.77145986 -0.08663586 -0.3942047 -2.16210385 0.28102813 1.11496003 1.10157909 0.69625092 -2.12549613 0.0816876 1.182E-9 2.6429999999E-9 5.9109999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.304E-7 7.3889999999E-7 0.0000016519999999 0.0000036939999999 0.000008261 0.000018469999999 0.000041299999999 0.000092359999999 141-82-2 867 144207732 FNS Propanedioic acid O=C(O)CC(=O)O Tox21_200534 -NCGC00262908-01 196717304 tox21-ror-cho-viability-p1 set2 -2.4 26.6032120037 -72.117788095 -8.429129745 -80.54691784 2.7867712144 0.9928029231 0.9700174731 -76.06614564 -75.83803324 -76.99164237 -76.88073486 -72.79980518 -75.69526067 -68.63161373 -57.13350997 -8.07170457 -9.71764418 -5.55217595 -8.9976713 -15.03158161 -30.72433674 -68.217362 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 70-10-0 6258 170466391 A A Ticlatone Clc1ccc2c(c1)SNC2=O Tox21_113906 -NCGC00090721-03 196720214 tox21-ror-cho-viability-p1 set3 4 9.46058656 -1.63330716 8.56831026 -2.04735214 2.36931421 -0.39745518 0.81658264 1.29165521 3.49608362 2.24422848 -0.91234352 -1.14283589 2.37853359 0.72230085 3.71436461 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00254501-01 196720218 tox21-ror-cho-viability-p1 set3 4 5.05886207 0.71692666 7.43302682 2.16299274 1.53455083 -2.80359945 2.86318658 -5.81776329 14.50871897 13.25333038 -5.54260727 9.53182801 -5.81574639 9.03396044 0.81934048 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1156-19-0 5503 144210734 A A Tolazamide Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2 Tox21_300416 -NCGC00254871-01 196720620 tox21-ror-cho-viability-p1 set3 4 -2.34444652 -15.69594395 -5.73970668 -3.67162541 -6.15576999 -6.36474794 -21.97020818 0.35742945 -4.02692968 -1.43255606 -1.84354013 -4.42742629 -2.86518731 0.44882404 -2.08525142 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1113-02-6 14210 144211285 A C Omethoate COP(=O)(OC)SCC(=O)NC Tox21_300968 -NCGC00090776-02 196717288 tox21-ror-cho-viability-p1 set2 4 0.4248614762 5.1335412919 -1.6335412919 3.5 4.9549173134 0.3604039507 0.3275512975 1.35107524 1.46157378 -6.2204274 1.16747146 1.3837044 -7.61128441 -1.95369264 -1.35104682 5.73233497 0.888433 2.86543294 8.21344153 2.56260809 0.09449887 0.5570107 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00167817-02 196717287 tox21-ror-cho-viability-p1 set2 4 -1.64937572 -0.5424699 0.90221714 4.21074977 6.63558572 5.54065878 4.89045812 7.82455884 0.71336302 -0.47566567 -0.64677523 -1.37469091 0.89185354 2.01112481 -0.37115829 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71119-11-4 51045 170466320 A Bucindolol N#Cc3ccccc3OCC(O)CNC(C)(C)Cc2cnc1ccccc12 Tox21_112588_1 -NCGC00095045-05 196717296 tox21-ror-cho-viability-p1 set2 4 -0.10972824 -4.36207315 0.82045327 0.2677281 -0.32099521 0.29943675 -1.44323219 -0.27499288 -0.1501934 -2.59331016 -1.07450938 -5.99887262 -1.93734125 -3.11725447 -4.75252822 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122-16-7 5334 170466141 B Sulfanitran O=S(=O)(Nc1ccc(cc1)[N+]([O-])=O)c2ccc(NC(C)=O)cc2 Tox21_111401_1 -NCGC00091080-03 196717709 tox21-ror-cho-viability-p1 set2 4 -1.3847334 2.49527147 2.37376771 3.52285372 4.9046552 6.78654989 10.0184644 3.73506071 1.27755323 1.32275744 1.50401007 -0.77665044 0.59192598 0.308541 2.26446448 1.121E-9 2.506E-9 5.6039999999E-9 1.2529999999E-8 2.802E-8 6.265E-8 1.401E-7 3.133E-7 7.005E-7 0.000001566 0.0000035019999999 0.000007831 0.00001751 0.00003916 0.00008756 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00274071-01 196717716 tox21-ror-cho-viability-p1 set2 4 0.13304187 1.61639621 0.3170042 2.07655905 6.89027556 3.13695851 1.61877063 5.37898028 3.17722201 2.54915264 1.68095312 0.49214733 2.01910606 1.90835499 3.44665392 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 130-95-0 8549 170465032 A Quinine COc1cc2c(cc1)nccc2[C@@H](O)[C@@H]4CC3CCN4C[C@@H]3C=C Tox21_112389_1 -NCGC00357071-01 196724494 tox21-ror-cho-viability-p1 set3 4 -11.35204863 -1.97046322 -4.00770105 -2.46909997 0.64856748 -1.11745614 4.41526031 -5.94312335 -4.27548897 -8.4700661 4.45334944 0.46999676 -4.58322595 -1.86738998 2.29756936 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 544-01-4 10989 251919908 Fns Isoamyl ether CC(C)CCOCCC(C)C Tox21_303780 -NCGC00357181-01 196724491 tox21-ror-cho-viability-p1 set3 4 3.4376242854 -6.115968736 3.5 -2.615968736 3.0654483358 0.3855671382 0.303830825 -3.68671555 -0.8056017 4.21201791 4.63808915 2.00659011 7.74466021 7.45546737 5.81238225 0.17880614 4.83548141 -0.36594307 -2.1909183 -4.26330728 -1.44338562 0.63232251 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17754-90-4 87293 251919665 A 4-(Diethylamino)salicylaldehyde O=Cc1ccc(cc1O)N(CC)CC Tox21_303946 -NCGC00357200-01 196724502 tox21-ror-cho-viability-p1 set3 4 -5.39471418 -4.93208758 -3.00192012 -1.61966929 4.22851612 4.74412347 3.93659629 0.51887251 -3.7159419 -7.04709803 1.51675684 -5.65599269 -0.6716609 -4.36992231 6.72456602 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1609-47-8 3051 251919875 F Diethyl dicarbonate CCOC(=O)OC(=O)OCC Tox21_303976 -NCGC00090874-04 196729961 tox21-ror-cho-viability-p1 set3 4 -1.10195625 -1.01677708 0.74731505 0.92491918 -3.4962122 -0.58904099 -0.3275643 -0.32581937 0.39558256 1.35661829 -0.17729999 -0.03666295 -3.57687098 -5.34840714 -4.9836566 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00258525-01 196729562 tox21-ror-cho-viability-p1 set3 4 1.0914957346 -5.8894441479 -0.5 -6.3894441479 3.0654483358 0.7431539286 0.0283951991 -1.36634566 -1.26308115 1.04843944 -0.83343224 -1.12596926 0.48795534 -0.17086265 -1.33065984 0.96161354 -9.07453679 -5.511358 -4.15197156 -6.19720974 -7.14390366 -2.51354777 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.961E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.000003701 0.000008275 0.0000185 0.00004137 0.000092519999999 58-94-6 2720 144208170 A A Chlorothiazide NS(=O)(=O)c2cc1c(N=CNS1(=O)=O)cc2Cl Tox21_200972 -NCGC00257662-01 196729955 tox21-ror-cho-viability-p1 set3 4 -1.25268743 0.60309707 0.20696497 0.56614062 1.15516453 0.81205201 -0.93938218 5.66367139 6.24037557 1.79182839 1.94233652 7.1447064 4.67520005 3.95037039 3.09682767 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 80-56-8 6654 144207306 FNS alpha-Pinene CC2(C)C1CC=C(C)C2C1 Tox21_200108 -NCGC00258031-01 196729960 tox21-ror-cho-viability-p1 set3 4 69.4274967035 -17.719450368 0.5 -17.219450368 4.0949729863 0.9119482042 0.0001732895 1.07202101 1.5505876 1.19872929 0.70299093 1.06074281 0.07127367 1.76321629 0.82699477 -0.42145497 0.28611595 0.10154317 0.43022981 -3.06498205 -1.16779715 -13.51620864 1.1919999999E-9 2.6649999999E-9 5.96E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.332E-7 7.45E-7 0.0000016659999999 0.000003725 0.000008329 0.00001862 0.000041649999999 0.00009312 3399-22-2 7198 144207675 A A Dimethyl trans-cyclohexane-1,4-dicarboxylate COC(=O)[C@H]1CC[C@@H](CC1)C(=O)OC Tox21_200477 -NCGC00257769-01 196729962 tox21-ror-cho-viability-p1 set3 4 1.00917062 1.6813964 0.19886209 -2.08548424 5.23182564 3.92625919 0.51048131 0.95129544 -0.10838853 1.31914894 0.75253088 -2.28401474 1.01325302 0.37063789 2.30271118 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 638-03-9 522105 144207413 A B 3-Methylaniline hydrochloride Cl.Cc1cc(N)ccc1 Tox21_200215 -NCGC00258327-01 196729972 tox21-ror-cho-viability-p1 set3 4 -0.4839076 -0.4954762 0.59073686 0.79395502 1.94159719 1.95341531 -0.09030708 1.00638174 -0.96888856 1.00329023 0.50080882 2.41236426 -0.80833497 -1.56822646 -0.12748803 1.196E-9 2.674E-9 5.9789999999E-9 1.337E-8 2.989E-8 6.685E-8 1.4949999999E-7 3.3419999999E-7 7.4739999999E-7 0.000001671 0.000003737 0.000008356 0.000018679999999 0.000041779999999 0.00009342 603-83-8 11783 144207971 A A 2-Methyl-3-nitroaniline Cc1c(cccc1N)[N+]([O-])=O Tox21_200773 -NCGC00023100-08 196712522 tox21-ror-cho-viability-p1 set2 4 -0.89475314 -0.69450575 -0.75224626 0.27789021 1.18956018 -0.20738549 2.01188727 0.98297681 -0.5912959 0.08455934 1.06377086 0.80905298 0.93359212 0.46110162 -5.71089936 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23930-19-0 104845 170466428 A Alphaxalone CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C Tox21_110884_1 -NCGC00065934-05 196712524 tox21-ror-cho-viability-p1 set2 4 -0.03546594 -0.83809056 -1.91758702 -1.58211068 0.75031091 1.80576905 -0.43579491 -0.78550296 0.29543221 -0.3950899 1.41140933 0.30162644 2.24777012 0.4907537 -0.21272751 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 28721-07-5 34312 170464811 A Oxcarbazepine NC(=O)N3c1ccccc1C(=O)Cc2ccccc23 Tox21_110983_1 -NCGC00095304-05 196712920 tox21-ror-cho-viability-p1 set2 4 13.3331902297 13.106700784 -4.106700784 9 0.5 0.8325357071 0.0038045534 -5.08891732 -1.55677607 -4.55538448 -4.2556926 -4.61910311 -4.84668894 -2.44138945 -3.46356035 -2.09710965 0.02445647 0.82508968 -0.18836013 1.31711583 1.18596359 6.23709485 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67-45-8 5323714 170464641 F Furazolidone [O-][N+](=O)c2oc(/C=N/N1CCOC1=O)cc2 Tox21_111502_1 -NCGC00095303-04 196712922 tox21-ror-cho-viability-p1 set2 -2.4 29.8492948118 -31.477866724 1 -30.477866724 4.5044702849 0.9723697473 3.06E-7 -0.50071108 -0.81339877 -0.22714434 -0.52471443 2.0887513 0.72187516 -0.55353402 1.53595227 1.30291356 2.16643456 2.10517351 2.80972795 0.1042993 -3.5746395 -26.64822227 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 130-16-5 2817 170465523 A Cloxyquin Oc1ccc(Cl)c2cccnc12 Tox21_111501_1 -NCGC00259678-01 196709641 tox21-ror-cho-viability-p1 set2 -2.1 21.7561324245 -70.2721779527 0.0638898999 -70.2082880528 4.0949729863 0.9935602829 4E-10 0.3119819 0.31386883 -0.54296622 0.58388787 -1.13124894 -0.14757859 0.17767452 -0.97089805 4.26611148 -1.36302517 -1.91756979 -1.87266789 -24.05200884 -65.09498952 30.08240905 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9569999999E-8 6.613E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003697 0.000008266 0.00001848 0.00004133 0.000092409999999 138-89-6 8749 144209327 F N,N-Dimethyl-4-nitrosoaniline CN(C)c1ccc(N=O)cc1 Tox21_202129 -NCGC00259647-01 196709208 tox21-ror-cho-viability-p1 set2 4 -0.3656379 -0.44850272 -0.06686683 -2.25823816 0.48013967 -5.00410471 0.42873314 -3.05694638 0.56519538 -2.96390222 -0.90203364 2.10204786 0.92631999 1.28507523 -0.33911426 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9569999999E-8 6.613E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003697 0.000008266 0.00001848 0.00004133 0.000092409999999 1610-18-0 4928 144209296 A A Prometon COc1nc(NC(C)C)nc(NC(C)C)n1 Tox21_202098 -NCGC00259630-01 196709621 tox21-ror-cho-viability-p1 set2 4 -2.61656425 0.5782666 -2.98645693 -0.55578459 0.60685682 -1.28318386 -1.79209383 -2.61318311 1.06927489 -0.30152903 1.24398307 -0.07411442 -1.72460291 -0.99354375 3.11796769 1.188E-9 2.656E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.639E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.0000037109999999 0.000008299 0.00001856 0.00004149 0.00009278 59-02-9 14985 144209279 A Ac alpha-Vitamin E CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(O1)c(C)c(C)c(O)c2C Tox21_202081 -NCGC00259438-01 196709632 tox21-ror-cho-viability-p1 set2 4 0.0015777883 13.129011252 -13.129011252 0 4.9549173134 0.7395370752 0.0232722872 -10.94084271 0.84763101 -0.21540153 1.24304491 -1.07524978 -0.50588423 2.75674137 3.23359444 -0.14867741 -1.16690425 -0.90821409 -1.84825567 0 -1.36409848 -2.48145621 1.2069999999E-9 2.7E-9 6.0359999999E-9 1.3499999999E-8 3.0179999999E-8 6.7489999999E-8 1.509E-7 3.3739999999E-7 7.5449999999E-7 0.000001687 0.000003773 0.000008436 0.00001886 0.00004218 0.000094319999999 583-78-8 66 144209087 A A 2,5-Dichlorophenol Clc1ccc(Cl)c(O)c1 Tox21_201889 -NCGC00255878-01 196710032 tox21-ror-cho-viability-p1 set2 4 0.85969093 2.69834085 -0.59451021 0.65842178 -1.22385324 0.83521859 -3.39290184 -2.73531597 -1.44479171 -1.38991158 0.47886361 -1.67641939 1.43423505 3.45756075 5.25980516 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 130-20-1 8532 144212548 Fns D&C Blue No. 9 O=C4c3c2Nc6c(Cl)cc1C(=O)c7ccccc7C(=O)c1c6Nc2c(Cl)cc3C(=O)c5ccccc45 Tox21_302231 -NCGC00256035-01 196710452 tox21-ror-cho-viability-p1 set2 4 -1.94777713 -2.23149789 -1.67225535 0.29924622 -3.19630835 -3.82863181 -0.66756872 -5.66107105 -4.94015875 2.96535663 -1.3558141 1.79318455 1.47501811 1.13526169 0.6111909 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 38661-72-2 53172 144211978 F F 1,3-Bis(isocyanatomethyl)cyclohexane O=C=N\CC1CCCC(C\N=C=O)C1 Tox21_301661 -NCGC00260458-01 196711280 tox21-ror-cho-viability-p1 set2 4 0.7860526007 -8.2018915479 1.5 -6.7018915479 4.4494702849 0.5258446032 0.1724575551 3.36473651 2.6530444 2.00243781 -1.27598818 3.08277493 -0.31528054 1.85186571 1.14373703 -1.62553827 -12.25157629 -10.12988513 -1.06939514 -11.38536653 1.50587856 6.02341931 1.2009999999E-9 2.6849999999E-9 6.0029999999E-9 1.3419999999E-8 3.0009999999E-8 6.711E-8 1.501E-7 3.356E-7 7.5029999999E-7 0.0000016779999999 0.0000037519999999 0.0000083889999999 0.00001876 0.00004195 0.00009379 321-60-8 67579 144210110 A A 2-Fluorobiphenyl Fc2ccccc2c1ccccc1 Tox21_202912 -NCGC00260416-01 196711282 tox21-ror-cho-viability-p1 set2 4 60.9441122888 23.048488016 -3.048488016 20 4.0949729863 0.4729544146 0.2028530863 1.10008234 -1.22737064 -1.93546184 -3.20930905 1.51446043 0.8386842 -1.43108331 -5.56141699 -5.77182186 -20.04040668 -1.63230015 -1.20836913 1.69423059 0.75769305 16.37000134 1.177E-9 2.6319999999E-9 5.886E-9 1.316E-8 2.943E-8 6.5809999999E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.000003679 0.000008226 0.00001839 0.00004113 0.000091969999999 765-09-3 13000 144210068 Ac Fc Tridecane,1-bromo- BrCCCCCCCCCCCCC Tox21_202870 -NCGC00259255-01 196721385 tox21-ror-cho-viability-p1 set3 4 21.381504486 8.429030408 -4.929030408 3.5 4.9549173134 0.3403193282 0.3300176012 -2.58154594 -2.66313284 0.3978448 6.12943036 -7.91814419 -9.07142106 -6.23088893 -7.28235087 -9.10752534 -6.90345049 -6.30194462 -6.32405312 -2.09781271 3.07158863 3.35037847 1.166E-9 2.6069999999E-9 5.83E-9 1.304E-8 2.9149999999E-8 6.518E-8 1.457E-7 3.259E-7 7.287E-7 0.000001629 0.0000036439999999 0.000008147 0.00001822 0.00004074 0.00009109 96-29-7 7292 144208904 I I 2-Butanone oxime C/C(CC)=N\O Tox21_201706 -NCGC00259763-01 196721394 tox21-ror-cho-viability-p1 set3 4 -14.39493976 -3.50357728 2.60846642 3.40507469 -9.98492751 -6.4539512 -3.34877653 -4.62494533 -12.36067527 -6.3101264 -9.14655653 -10.71768227 -6.34790735 1.30958918 5.52659136 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.00004117 0.000092069999999 19438-61-0 88069 144209412 A A 4-Methylphthalic anhydride Cc1ccc2C(=O)OC(=O)c2c1 Tox21_202214 -NCGC00259638-01 196720998 tox21-ror-cho-viability-p1 set3 4 -6.87803439 -1.76812621 -0.46361162 -6.22330752 0.75698146 -6.55613989 -5.54593734 -2.50105707 -7.52888708 1.31539878 -1.95519879 -9.46044046 -0.3209487 -1.65817696 -4.80699565 1.167E-9 2.61E-9 5.836E-9 1.305E-8 2.918E-8 6.525E-8 1.459E-7 3.262E-7 7.295E-7 0.000001631 0.0000036469999999 0.000008156 0.000018239999999 0.00004078 0.00009118 105-87-3 1549026 144209287 A A Geranyl acetate C\C(C)=C\CCC(\C)=C\COC(C)=O Tox21_202089 -NCGC00259986-01 196721381 tox21-ror-cho-viability-p1 set3 4 -5.59789922 -6.86249195 -5.23490754 -5.16850492 -5.65175851 -5.20005696 -4.77855207 -6.79848696 -7.21091397 -2.94002156 -5.79298106 -6.65572949 -6.18796459 -0.66709724 -3.81958954 1.172E-9 2.6199999999E-9 5.859E-9 1.31E-8 2.929E-8 6.55E-8 1.465E-7 3.275E-7 7.324E-7 0.0000016379999999 0.000003662 0.000008188 0.00001831 0.00004094 0.00009154 104-94-9 7732 144209635 A A 4-Methoxyaniline Nc1ccc(OC)cc1 Tox21_202437 -NCGC00091663-03 196721399 tox21-ror-cho-viability-p1 set3 4 0.0015355304 17.940836772 -16.440836772 1.5 4.9549173134 0.5088436326 0.1709653336 -13.70069731 1.09380462 -5.02289824 1.21711217 4.25574201 3.86271543 -0.86769843 -6.1357746 4.04360556 4.21048749 3.37781542 5.44355416 5.77478938 -2.93182741 -1.21112116 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00259814-01 196721783 tox21-ror-cho-viability-p1 set3 4 4.8458988921 -12.767647736 1 -11.767647736 4.9549173134 0.6067974387 0.1059346445 1.51508836 4.20739115 2.42794392 -2.24656164 0.46376119 -1.59548067 0.02176827 1.52240732 -0.0653817 -0.06626507 1.04540135 -17.72303978 -15.87972966 -1.14533019 1.56999801 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.586E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009204 127-69-5 5344 144209463 A A Sulfisoxazole Cc2c(NS(=O)(=O)c1ccc(N)cc1)onc2C Tox21_202265 -NCGC00258956-01 196722187 tox21-ror-cho-viability-p1 set3 4 -4.71361933 -5.94036765 -2.10541891 3.89753041 -4.36500532 -6.49698011 -3.31482784 -5.74465149 -4.72730681 -4.12886456 -0.94203773 -5.1928348 -4.28948673 -0.85034349 1.84634626 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.000008236 0.00001842 0.000041179999999 0.00009208 102-01-2 7592 144208603 A B Acetoacetanilide O=C(Nc1ccccc1)CC(C)=O Tox21_201405 -NCGC00258869-01 196722191 tox21-ror-cho-viability-p1 set3 4 -1.07596313 -15.50047881 -0.38087579 -4.69845517 -8.69128225 -12.22267798 0.54422277 -4.74501928 -12.5759111 -2.52744928 -14.21588048 -9.68487218 -10.17111514 -5.11950309 -10.26833929 1.233E-9 2.7579999999E-9 6.1669999999E-9 1.379E-8 3.083E-8 6.8949999999E-8 1.542E-7 3.447E-7 7.708E-7 0.000001724 0.000003854 0.000008618 0.00001927 0.00004309 0.000096349999999 112-56-1 8196 144208515 A A 2-(2-Butoxyethoxy)ethyl thiocyanate N#CSCCOCCOCCCC Tox21_201317 -NCGC00259911-01 196722192 tox21-ror-cho-viability-p1 set3 4 -3.37123312 -23.96750827 -4.29054222 1.81576001 -3.92041738 -8.52265297 -3.94462878 -1.35782345 -2.92706263 0.80586298 -5.59754171 -2.13338941 -5.32525314 -1.51873226 -3.45783211 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.00004119 0.000092099999999 108-80-5 7956 144209560 A Cyanuric acid Oc1nc(O)nc(O)n1 Tox21_202362 -NCGC00091086-02 196722197 tox21-ror-cho-viability-p1 set3 4 21.6899429044 10.085857972 -5.085857972 5 4.9549173134 0.4570296931 0.2182422734 0.74841801 -2.49092722 -0.63437539 -1.03706221 -5.26060089 -7.14221002 -9.96690251 -10.07154831 -9.62804603 0.48640735 -8.73868412 -8.34798667 -2.50982481 5.94093738 3.95616142 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00016618-04 196722588 tox21-ror-cho-viability-p1 set3 4 4.80139337 -1.81696514 3.17396028 1.05417152 0.83572217 1.48017105 -22.65797229 -1.95354693 10.03788751 10.35382427 7.5724663 4.4176714 4.46150005 2.99827519 2.12617584 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2773-92-4 9883104 170465516 A Dimethisoquin hydrochloride Cl.CN(C)CCOc2nc(cc1ccccc12)CCCC Tox21_110528_1 -NCGC00247707-01 196722589 tox21-ror-cho-viability-p1 set3 4 1.2023703567 22.534650364 -9.534650364 13 3.5117481694 0.9530473188 0.0000150136 -10.95963437 -10.45615287 -6.89932125 -5.81353044 -7.55894034 -11.69554197 -8.90182211 -10.30477149 -10.80213708 9.34054909 13.4738092 13.12330739 9.98534314 14.619436 -4.41110559 1.166E-9 2.608E-9 5.831E-9 1.304E-8 2.9149999999E-8 6.5189999999E-8 1.458E-7 3.26E-7 7.288E-7 0.0000016299999999 0.0000036439999999 0.000008149 0.00001822 0.00004074 0.00009111 6211-15-0 6321225 144206414 Z Z Morphine sulfate pentahydrate O.O.O.O.O.O=S(=O)(O)O.Oc5ccc1C[C@H]2N(C)CC[C@]43c1c5O[C@H]4[C@@H](O)C=C[C@@H]23.Oc1ccc2C[C@H]4N(C)CC[C@@]35[C@@H](Oc1c23)[C@@H](O)C=C[C@@H]45 Tox21_112861 -NCGC00259670-01 196721814 tox21-ror-cho-viability-p1 set3 4 0.0090669717 -16 24 8 0.3 0.5803145539 0.1123552325 14.05178286 20.4109932 20.12162001 17.31749619 12.58652698 12.6288026 11.68801631 10.66130418 14.06144752 5.39270968 11.7726674 12.81042832 10.5113841 8.84626241 8.04103678 1.229E-9 2.749E-9 6.1469999999E-9 1.3749999999E-8 3.0739999999E-8 6.873E-8 1.537E-7 3.436E-7 7.6839999999E-7 0.000001718 0.000003842 0.000008591 0.00001921 0.00004296 0.000096049999999 108-94-1 7967 144209319 AC Ac Cyclohexanone O=C1CCCCC1 Tox21_202121 -NCGC00255890-01 196728471 tox21-ror-cho-viability-p1 set3 4 0.0343762429 6.900461132 -3.900461132 3 4.9549173134 0.3957227697 0.2767464723 1.7014378 -1.4616598 -4.20868804 -10.33371761 -2.31528054 7.5279726 5.05682036 2.49578686 5.43856014 -0.23654045 -1.21055236 9.54932397 0.05428895 0.77771178 0.84201075 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7789-41-5 24608 144212176 Calcium bromide Br[Ca]Br Tox21_301859 -NCGC00256291-01 196728488 tox21-ror-cho-viability-p1 set3 4 -0.80626844 5.19267949 3.65140144 5.55711374 17.38842223 13.38145491 -1.8593088 2.91396624 14.39168805 8.34852155 2.78772607 2.11833612 3.00908536 -4.78551589 3.78461189 8.258E-10 1.8469999999E-9 4.1289999999E-9 9.2329999999E-9 2.065E-8 4.616E-8 1.032E-7 2.308E-7 5.161E-7 0.0000011539999999 0.000002581 0.0000057699999999 0.0000129 0.00002885 0.00006452 28631-66-5 60196416 144211592 F C.I. Acid Blue 22 [Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)Nc2ccc(cc2)\C(=C4/C=C/C(=N\c3ccc(cc3S(=O)(=O)O)S([O-])(=O)=O)C=C4)c5ccc(N)c(C)c5 Tox21_301275 -NCGC00255137-01 196728071 tox21-ror-cho-viability-p1 set3 1.4 0.0019331182 23.381820076 -20.881820076 2.5 4.5044702849 0.9163626946 0.0001311894 -18.65151673 -1.90741213 1.86490456 2.32773672 2.20163092 2.02667103 5.48924636 3.5132485 2.86051072 5.31599981 4.34964215 -1.1448817 0.69999115 2.15313384 1.91104979 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60719-84-8 3698 144212164 A Ac Amrinone NC1=CC(=CNC1=O)c2ccncc2 Tox21_301847 -NCGC00256008-01 196728078 tox21-ror-cho-viability-p1 set3 4 3.80738622 9.5999918 0.73771771 6.04209507 7.79926024 6.36085103 11.44901871 3.49563691 -1.09014797 9.98149035 5.89570386 5.72188998 11.04741953 -4.29828658 3.48742356 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 924-88-9 70213 144211858 A Ac Dipropan-2-yl butanedioate CC(C)OC(=O)CCC(=O)OC(C)C Tox21_301541 -NCGC00090701-06 196728490 tox21-ror-cho-viability-p1 set3 4 0.3437624285 5.264839236 0.235160764 5.5 4.9549173134 0.4411141476 0.2512123404 0.47636864 2.88999455 -1.88736603 1.61920591 0.14351763 -1.87379199 -0.56369403 2.66837693 9.25555669 6.22612681 0.8637334 12.0386684 1.99639718 2.66441669 2.05604494 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00256174-01 196728492 tox21-ror-cho-viability-p1 set3 4 1.33465931 -5.18227535 -0.51296085 -1.4149439 -1.50337703 1.75031933 -4.66931898 -4.85298294 2.2936589 0.3005731 -0.03001939 -6.41815122 1.9214406 -0.21939934 1.09942383 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-27-3 62328 144212092 A Ac Terpinyl propionate CCC(=O)OC(C)(C)C1CC=C(C)CC1 Tox21_301775 -NCGC00255793-01 196728494 tox21-ror-cho-viability-p1 set3 4 -2.48607794 -3.31350009 4.37708867 -1.5987346 1.14267784 -0.2593574 3.85310065 3.58091803 3.07065749 4.8944607 2.9139697 -1.70130033 -0.2954093 0.32751546 -0.2386644 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13372-77-5 114644 144212215 D Citral oxime C/C(C)=C\CCC(C)=C\C=N\O Tox21_301898 -NCGC00256030-01 196728891 tox21-ror-cho-viability-p1 set3 4 -1.61718694 -5.13208213 1.71924724 -3.79728348 2.05958581 2.07952464 5.51965475 2.07617559 4.1705843 -1.03604146 2.45329942 0.50456097 -6.00463517 3.00004676 -3.10552603 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13708-12-8 61670 144212599 A Fns 5-Methylquinoxaline Cc1cccc2nccnc12 Tox21_302282 -NCGC00255786-01 196728895 tox21-ror-cho-viability-p1 set3 4 0.0015355304 15.157163824 -13.657163824 1.5 4.9549173134 0.5147466956 0.1663567679 -10.54763652 2.20446154 -1.61491258 4.97693895 3.7972108 1.10569369 3.80507703 5.76903359 1.38693452 -0.99534166 3.2998287 -4.24252494 -3.57702932 3.76027799 1.48656228 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 557-30-2 5354753 144212707 A Ac Glyoxime ON=CC=NO Tox21_302390 -NCGC00091663-03 196728896 tox21-ror-cho-viability-p1 set3 4 -0.03137474 3.46282411 -2.68119398 -1.4429448 -0.96545701 -1.00731444 0.61413889 2.84325293 -1.49543979 -1.89597534 1.27148111 -3.69769761 -0.06090704 -4.4656743 -0.99367913 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00256176-01 196728900 tox21-ror-cho-viability-p1 set3 -2.2 61.130564862 -43.765975388 1 -42.765975388 2.6384283767 0.9250719022 0.0000736511 1.20646565 -3.54130828 4.86547707 -0.44029748 3.90412426 0.89195614 -0.47717843 4.13018339 2.06415429 -0.17590973 4.87789293 -2.89532239 -1.24413458 -10.23473831 -32.30497949 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 61931-82-6 93335 144211727 A B N-(4-Methylpentan-2-yl)-N-phenylbenzene-1,4-diamine CC(C)CC(C)N(c1ccccc1)c2ccc(N)cc2 Tox21_301410 -NCGC00255184-01 196728902 tox21-ror-cho-viability-p1 set3 4 38.5707788719 -12.153191868 -1.5 -13.653191868 1.21 0.516475956 0.165298634 -8.04257616 -1.88239731 -0.71817525 -1.25463058 0.60269793 -1.22171671 1.62520946 -3.7233575 2.84603173 -3.02892933 -2.81150016 -1.65505667 -7.29648372 -5.36159035 -11.37765989 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 434-03-7 5284557 144212641 A A Ethisterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@@]1(O)C#C)=C4 Tox21_302324 -NCGC00090776-02 196716202 tox21-ror-cho-viability-p1 set2 4 2.75529065 3.28135472 0.03851669 2.11730669 2.64819201 1.92481412 0.66378757 1.06596921 4.70350889 2.968822 0.37025908 0.21968429 -0.49598064 1.18987453 2.16220521 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00258362-01 196715798 tox21-ror-cho-viability-p1 set2 4 1.9021727 3.98625839 2.57755344 -0.96882864 4.46111713 3.15176054 1.67978306 0.09665949 1.56497992 -0.25857254 1.65536581 2.10232033 3.78258102 3.42631428 0.65022125 1.166E-9 2.606E-9 5.8279999999E-9 1.303E-8 2.9139999999E-8 6.516E-8 1.457E-7 3.2579999999E-7 7.285E-7 0.000001629 0.0000036419999999 0.0000081449999999 0.00001821 0.000040719999999 0.00009106 100-42-5 7501 144208006 AC Fc Styrene C=Cc1ccccc1 Tox21_200808 -NCGC00258210-01 196715799 tox21-ror-cho-viability-p1 set2 4 40.3425463277 13.6314809399 -3.1314809399 10.5 3.0654483358 0.4082904374 0.2641810526 -2.29414815 -11.00784745 -4.20754619 0.38585535 -1.5197646 -13.85956745 0.58249913 -2.2357748 -2.90851849 0.28903672 0.78914838 0 -7.63525835 6.15262012 8.94709368 1.2249999999E-9 2.739E-9 6.124E-9 1.369E-8 3.062E-8 6.8459999999E-8 1.531E-7 3.423E-7 7.6549999999E-7 0.0000017119999999 0.000003827 0.000008558 0.00001914 0.000042789999999 0.00009568 629-14-1 12375 144207854 FC Ethylene glycol diethyl ether CCOCCOCC Tox21_200656 -NCGC00257660-01 196716200 tox21-ror-cho-viability-p1 set2 4 -0.9781177 0.40716055 3.11808113 -0.62692633 -8.75856414 -1.28918519 0.97205462 -0.22149655 -6.12917523 0.23805908 5.3100585 0.58876948 -1.01192962 1.4231615 1.97258309 1.195E-9 2.6729999999E-9 5.9769999999E-9 1.337E-8 2.989E-8 6.683E-8 1.494E-7 3.341E-7 7.4709999999E-7 0.000001671 0.000003736 0.000008353 0.000018679999999 0.00004177 0.00009339 59-14-3 6035 144207304 A A 5-Bromo-2'-deoxyuridine BrC1=CN(C(=O)NC1=O)[C@H]2C[C@H](O)[C@@H](CO)O2 Tox21_200106 -NCGC00257884-01 196716203 tox21-ror-cho-viability-p1 set2 4 -2.84324152 -3.19507898 -9.16329154 -4.42209948 -0.76712505 -3.64939598 -1.75736527 -2.01640222 -2.8094565 -2.14011489 -9.0981178 -0.89395164 -1.99400094 1.95614713 -4.2140695 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.468E-7 3.284E-7 7.3419999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.000018359999999 0.00004104 0.000091779999999 556-08-1 19266 144207528 A A 4-Acetamidobenzoic acid O=C(C)Nc1ccc(cc1)C(=O)O Tox21_200330 -NCGC00257915-01 196716612 tox21-ror-cho-viability-p1 set2 4 -1.39840831 -0.13859429 -5.92184381 -2.65516587 0.32853868 0.81626037 -0.36788627 0.88236012 -1.64764709 1.44429935 -0.99758602 -42.28533349 -2.59345678 -0.70323977 2.1946242 1.154E-9 2.5799999999E-9 5.7689999999E-9 1.29E-8 2.884E-8 6.449E-8 1.4419999999E-7 3.225E-7 7.211E-7 0.000001612 0.000003605 0.0000080619999999 0.00001803 0.00004031 0.000090129999999 78-38-6 6534 144207559 A A Diethyl ethylphosphonate O=P(CC)(OCC)OCC Tox21_200361 -NCGC00258270-01 196716618 tox21-ror-cho-viability-p1 set2 4 -0.98396086 -1.93611036 -3.53831356 0.11357378 -0.26034925 -2.86426223 -0.67029437 -2.67920948 -1.02862726 -1.58092441 -2.95063012 0 -1.778603 -0.36550194 -0.46965173 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.302E-7 7.3839999999E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.0000923 785-30-8 69917 144207914 A A 4,4'-Diaminobenzanilide O=C(Nc1ccc(N)cc1)c2ccc(N)cc2 Tox21_200716 -NCGC00258171-01 196716620 tox21-ror-cho-viability-p1 set2 4 -0.5189523 -1.62333141 -1.85631822 -4.69975071 -0.27202577 -0.40439693 0.80623727 -1.27075513 0.01842545 -0.94193846 -0.1580485 -7.15018978 1.42757561 -3.03420352 -5.52124305 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004133 0.000092409999999 100-22-1 7490 144207815 A D N,N,N',N'-Tetramethyl-p-phenylenediamine CN(C)c1ccc(cc1)N(C)C Tox21_200617 -NCGC00258384-01 196716623 tox21-ror-cho-viability-p1 set2 4 2.89469783 -1.48554823 0.66044151 4.42838928 3.30499453 4.23155264 0.05553611 2.18182377 -0.90336436 4.09972049 1.16328976 2.04014602 2.27956297 -1.51333817 -3.95155028 1.195E-9 2.6729999999E-9 5.9769999999E-9 1.337E-8 2.989E-8 6.683E-8 1.494E-7 3.341E-7 7.4709999999E-7 0.000001671 0.000003736 0.000008353 0.000018679999999 0.00004177 0.00009339 53-96-3 5897 144208028 A A 2-Acetylaminofluorene CC(=O)Nc1ccc2c3ccccc3Cc2c1 Tox21_200830 -NCGC00167533-02 196717030 tox21-ror-cho-viability-p1 set2 4 -3.13821814 -3.58360599 -2.65165914 -6.18666827 -4.33693294 -8.02295353 -3.59261102 -1.55063503 -0.62451986 -3.13300056 -0.05501776 -5.14069618 -1.75837736 -7.61833796 -1.39342966 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1193386-64-9 23581791 170465607 A Vardenafil O=C(O)C(O)(CC(=O)O)CC(=O)O.CCN1CCN(CC1)S(=O)(=O)c4cc(C2=NC(=O)c3c(C)nc(CCC)n3N2)c(OCC)cc4 Tox21_112530_1 -NCGC00242506-02 196717050 tox21-ror-cho-viability-p1 set2 -1.1 0.084126743 -73.5889814396 4.134678628 -69.4543028116 0.5999999999 0.9682129369 6.734E-7 -3.03468853 -3.92839817 -2.71763782 -0.88309495 -10.47594176 -30.88779667 -37.03967427 -41.84552536 -42.45523356 -50.35798145 -57.48031929 -66.56749298 -68.93916927 -68.07493148 -64.09079861 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 179324-69-7 387447 170465087 C Bortezomib O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)B(O)O)c2cnccn2 Tox21_112672_1 -NCGC00258419-01 196715412 tox21-ror-cho-viability-p1 set2 4 -5.34666659 -5.07352999 2.42168363 2.30661853 -5.17267686 -4.24644392 2.76437762 2.14995414 2.05990372 -3.75465164 0.70852722 -4.13924132 0.78005757 1.7879468 -3.66246904 1.206E-9 2.6959999999E-9 6.029E-9 1.348E-8 3.014E-8 6.74E-8 1.507E-7 3.37E-7 7.536E-7 0.000001685 0.0000037679999999 0.000008425 0.00001884 0.00004213 0.0000942 109-69-3 8005 144208063 FNS 1-Chlorobutane CCCCCl Tox21_200865 -NCGC00257876-01 196715392 tox21-ror-cho-viability-p1 set2 4 -2.71868205 -0.92648221 -5.67847443 1.01946975 -1.26848477 -0.21169616 -2.33599493 -3.46809288 -2.37630625 1.06115666 -2.38834996 0.39319445 -5.51514058 -6.66783245 0.30704049 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.0000036889999999 0.000008248 0.00001844 0.00004124 0.00009222 51-44-5 5817 144207520 Ac Ac 3,4-Dichlorobenzoic acid Clc1ccc(cc1Cl)C(=O)O Tox21_200322 -NCGC00259719-01 196709673 tox21-ror-cho-viability-p1 set2 1.4 31.4657211851 48.2628866564 -6.4792773589 41.7836092975 4.9549173134 0.62865441 0.0770412569 0.21481619 -12.15996472 -2.18462203 -5.0161726 -1.13459008 -0.31335184 -0.51464324 -1.25002255 -0.19796719 -1.14417632 -4.58829424 -21.79608975 -35.76634043 57.36809676 31.50216207 1.328E-9 2.9689999999E-9 6.638E-9 1.484E-8 3.3189999999E-8 7.4219999999E-8 1.66E-7 3.711E-7 8.298E-7 0.0000018549999999 0.000004149 0.000009277 0.000020739999999 0.00004638 0.0001037 15625-89-5 27423 144209368 D Trimethylolpropane triacrylate O=C(C=C)OCC(COC(=O)C=C)(CC)COC(=O)C=C Tox21_202170 -NCGC00259231-01 196709686 tox21-ror-cho-viability-p1 set2 4 -81.2145652 2.04989502 3.35967569 0.73410404 -0.31888939 1.95369761 -18.27873925 2.30897081 0.670962 -0.24166274 0.1332504 -0.54024944 -15.58934115 3.62349547 -0.54635888 1.196E-9 2.6749999999E-9 5.982E-9 1.338E-8 2.9909999999E-8 6.6879999999E-8 1.496E-7 3.344E-7 7.478E-7 0.0000016719999999 0.0000037389999999 0.00000836 0.00001869 0.000041799999999 0.00009347 103-85-5 676454 144208880 F 1-Phenyl-2-thiourea S=C(N)Nc1ccccc1 Tox21_201682 -NCGC00259198-01 196709687 tox21-ror-cho-viability-p1 set2 4 0.99648792 -0.82998531 0.61871836 0.27678092 1.63582583 0.03337326 1.40654834 -0.73799247 0.54674819 -0.11097822 0.40716132 -0.84981652 1.72097857 2.15417872 -0.47925311 1.194E-9 2.67E-9 5.9709999999E-9 1.335E-8 2.986E-8 6.676E-8 1.493E-7 3.338E-7 7.464E-7 0.000001669 0.000003732 0.000008345 0.00001866 0.00004172 0.000093299999999 1760-24-3 15659 144208847 FNS N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine CO[Si](CCCNCCN)(OC)OC Tox21_201649 -NCGC00163930-04 196710091 tox21-ror-cho-viability-p1 set2 4 4.3797206 2.79256496 3.27287741 1.01042939 1.23254927 2.31167884 1.82200958 0.44133978 1.43934248 -0.66314932 -0.78862423 1.5532367 1.45215171 0.8583332 5.39283131 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00255830-01 196710098 tox21-ror-cho-viability-p1 set2 4 -8.85182102 1.23444931 0.01778942 0.94677127 -0.06990122 3.7034517 0.76282556 1.39614737 -0.37225856 0.64037865 -4.20732727 -1.57038693 -6.35553458 0.10260002 -0.04978888 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-45-4 5356010 144212486 A A Dimethylglyoxime C/C(=N\O)C(\C)=N\O Tox21_302169 -NCGC00256308-01 196710506 tox21-ror-cho-viability-p1 set2 4 2.06513437 5.55170492 3.37971498 2.47938378 3.48633849 0.20453086 0.82289051 0.24264839 4.68978587 0.03990541 2.57530383 1.95464313 0.23492177 1.03338539 8.32237551 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25354-97-6 32912 144211987 A A 2-Hexyldecanoic acid O=C(O)C(CCCCCCCC)CCCCCC Tox21_301670 -NCGC00256168-01 196710517 tox21-ror-cho-viability-p1 set2 4 4.39494648 1.7178683 0.07079852 0.2525793 1.14871487 0.14716738 3.07396988 3.38783158 -1.40645108 0.83081435 0.69494731 1.13458597 -0.03105686 -0.67716647 -2.91480561 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 116-81-4 22628 144212069 1-Amino-4-bromo-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid O=S(=O)(O)c3cc(Br)c2c(C(=O)c1ccccc1C2=O)c3N Tox21_301752 -NCGC00256163-01 196710918 tox21-ror-cho-viability-p1 set2 4 4.83905248 -0.92620395 1.19515811 -0.00705573 -0.25574131 1.47046248 0.8066422 0.01673015 0.72269221 0.53542301 -0.73951232 -0.73702955 1.29677067 1.17011635 1.19109213 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 659-70-1 12613 144211937 Ac Fns 3-Methylbutyl 3-methylbutanoate CC(C)CCOC(=O)CC(C)C Tox21_301620 -NCGC00256275-01 196710922 tox21-ror-cho-viability-p1 set2 4 -6.06453397 3.2905155 3.12005152 -8.748598 3.21650704 -0.48660536 -8.11894799 3.1875634 -9.21649508 2.16331258 -7.4312197 -8.66209752 -7.19069648 -4.72423575 -2.13563458 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-83-0 23662382 144212113 A A Sodium 3-chloro-2-hydroxypropane-1-sulfonate [Na+].ClCC(O)CS([O-])(=O)=O Tox21_301796 -NCGC00257300-01 196707622 tox21-ror-cho-viability-p1 set1 -1.4 1.9331181962 -24.5504339149 -5.76594992 -30.3163838349 0.6 0.3540414282 0.3152827725 -1.06840055 -8.14629536 -12.19200179 -11.62613527 -12.12915797 -2.16988416 -10.07809991 -10.19473286 -12.93872118 -12.44395151 -16.02183862 -45.90709315 -28.91691773 -1.87991586 -33.17826939 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 15625-89-5 27423 144213834 A A Trimethylolpropane triacrylate O=C(C=C)OCC(COC(=O)C=C)(CC)COC(=O)C=C Tox21_303527 -NCGC00259029-01 196706794 tox21-ror-cho-viability-p1 set1 4 3.50968346 2.92976944 2.16234113 0.0290571 1.78021542 1.13782361 -6.03828088 -0.35358538 2.94386649 7.45156272 0.35395288 3.50468148 3.36734022 0.68277126 6.87815216 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.309E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008272 0.0000185 0.00004136 0.00009248 91-22-5 7047 144208676 A Ac Quinoline c1cccc2cccnc12 Tox21_201478 -NCGC00256410-01 196707220 tox21-ror-cho-viability-p1 set1 -1.2 21.6899429044 -34.5098989398 -9.3001130359 -43.8100119757 0.9999999999 0.8409160803 0.0029410754 -6.15765514 -8.5661442 -4.83342753 -7.11133076 -15.33399044 -7.75713013 -10.28653759 -11.80533535 -13.64516919 -14.98483702 -14.57541595 -14.24136392 -21.6478639 -40.32540633 -33.07873385 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 118-75-2 8371 144213338 F Chloranil ClC=1C(=O)C(Cl)=C(Cl)C(=O)C=1Cl Tox21_303021 -NCGC00257100-01 196707619 tox21-ror-cho-viability-p1 set1 4 76.9588215421 16.106516692 0.893483308 17 4.9549173134 0.6155411274 0.0869049299 3.13391275 0.3949824 1.56702204 -0.32234297 1.9440792 -0.27202707 1.42696778 -5.08876391 1.175176 3.34665431 -0.27020628 6.14731473 0.47588332 0.42326808 12.95142019 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 538-93-2 10870 144213371 F Fns Isobutylbenzene CC(C)Cc1ccccc1 Tox21_303054 -NCGC00253971-01 196699666 tox21-ror-cho-viability-p1 set1 -2.1 43.2771256911 -105.9393316419 0.008985664 -105.9303459779 1.9673362061 0.9810575558 3.47E-8 -0.91428821 -1.42745927 0.85235852 -1.9515222 5.43618325 -3.22847181 0.11465586 0.46717465 -0.28819246 0.2713465 0.40099195 -8.6467024 -8.71851942 -55.70408076 -84.47396011 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 725228-45-5 9801235 144210569 A A AVE5638 O=C(c2ccc(C#Cc1ccccc1F)o2)N3CCC(CC3)c4cccc(CN)c4 Tox21_300249 -NCGC00254759-01 196698839 tox21-ror-cho-viability-p1 set1 4 -3.19756822 1.58698079 0.77858915 -3.42432336 -0.03407211 -2.44853523 -0.11786392 0.67772866 -0.08572451 0.83259542 1.76732776 0.72181103 -2.77572941 -0.25302992 1.57711786 1.539E-9 3.441E-9 7.6949999999E-9 1.721E-8 3.8469999999E-8 8.603E-8 1.9239999999E-7 4.3009999999E-7 9.618E-7 0.000002151 0.000004809 0.000010749999999 0.00002405 0.00005377 0.0001202 10004-44-1 24781 144211173 A A Hymexazol CC1=CC(=O)NO1 Tox21_300856 -NCGC00254650-01 196698847 tox21-ror-cho-viability-p1 set1 4 2.81486533 -0.95066728 1.26855065 -1.05159429 0.86550196 -3.85323464 -0.84534575 -2.36767066 4.02972267 -1.7820223 8.69613947 2.79955748 1.15847628 -0.90364337 2.33166035 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-88-3 26229 144211061 A A 4-Chlorophenoxyacetic acid Clc1ccc(OCC(=O)O)cc1 Tox21_300744 -NCGC00255059-01 196699660 tox21-ror-cho-viability-p1 set1 4 -2.97325101 -1.26145131 0.60629357 -2.32031732 1.27111304 -0.62548707 1.74601344 -2.22861741 -3.87592154 -2.14102649 1.47628974 1.53720591 1.52096213 -0.76096578 -2.43150134 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 60-51-5 3082 144211478 A C Dimethoate COP(=S)(OC)SCC(=O)NC Tox21_301161 -NCGC00254500-01 196699680 tox21-ror-cho-viability-p1 set1 4 43.2771256911 10.97559484 -1.97559484 9 0.5 0.5115523358 0.1711055867 1.94259594 -0.67107585 -4.5629957 -3.73556101 -4.17224459 -3.27077993 0.3754054 0.61942403 -0.50391051 1.42325043 0.25122716 0.80750868 2.9742968 0.33069938 6.35039017 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 136-60-7 8698 144210828 A Ac Butyl benzoate O=C(OCCCC)c1ccccc1 Tox21_300510 -NCGC00256244-01 196700090 tox21-ror-cho-viability-p1 set1 4 -0.57479451 0.20817565 -0.90102866 0.13896098 1.71118051 1.07537012 -0.90295994 0.60251442 2.11098424 0.52797523 1.86846391 0.54162037 2.00947822 2.11211065 0.7109428 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16215-21-7 85335 144211966 F A Butyl 3-mercaptopropionate CCCCOC(=O)CCS Tox21_301649 -NCGC00255823-01 196700094 tox21-ror-cho-viability-p1 set1 4 0.0015355304 9.132118444 -8.632118444 0.5 4.9549173134 0.3837314973 0.290930988 -6.77676537 0.48197023 1.04111689 0.00510176 -0.35368012 4.93470398 1.15978976 1.04515786 -5.2392975 -1.09281843 -0.26662975 0.55942649 0.67072895 0.53971303 5.49891975 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 137-03-1 8710 144212240 A Ac 2-Heptylcyclopentanone O=C1CCCC1CCCCCCC Tox21_301923 -NCGC00090858-02 196700095 tox21-ror-cho-viability-p1 set1 4 6.8589621897 -17.240908684 -1.5 -18.740908684 1.9673362061 0.8858702296 0.0006210519 2.49077695 -1.29454449 -5.04491852 -3.68838296 0.99244743 -4.65685802 -3.63963106 -1.31113412 2.24175722 -0.64453465 -5.84103018 -13.63170524 -14.14208282 -18.23681134 -19.78409057 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00256120-01 196700496 tox21-ror-cho-viability-p1 set1 4 -7.68680105 -2.34957479 -0.22581444 0.92261747 -1.81507623 -6.44196259 -2.55044106 -2.31728351 1.38369411 -1.73558942 1.20765288 -0.96302036 -1.04592583 -0.99295263 -2.07416027 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7779-31-9 111032 144211717 A 3,3,5-Trimethylcyclohexyl 2-methylprop-2-enoate O=C(OC1CC(C)CC(C)(C)C1)C(=C)C Tox21_301400 -NCGC00015321-11 196697470 tox21-ror-cho-viability-p1 set1 4 0.19011685 -0.59925172 1.03373478 -3.55845937 0.01441995 2.69975846 -0.94390844 3.90109528 -1.97467198 1.19173617 -4.31116604 1.03411702 -1.38139604 3.48844089 3.28436973 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 34368-04-2 36811 170465050 A Dobutamine Oc2ccc(CCNC(C)CCc1ccc(O)cc1)cc2O Tox21_110126_1 -NCGC00016613-10 196697454 tox21-ror-cho-viability-p1 set1 4 1.49735763 -2.70848171 -7.80749267 -2.99724253 -6.43917498 -3.23342176 -2.84841856 -0.37063355 -5.81335036 -0.62313125 -2.47767399 0.86096196 0.39273361 0.85289601 0.70278176 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2508-72-7 17275 170464765 A Antazoline hydrochloride Cl.C(c1ccccc1)N(CC2=NCCN2)c3ccccc3 Tox21_110524_1 -NCGC00015678-10 196697465 tox21-ror-cho-viability-p1 set1 4 1.55987438 6.93275862 1.94793756 1.78469156 0.72271393 4.83002619 5.89989182 2.01622647 -1.44214188 -0.46633594 1.62479277 -1.28777577 -0.60632468 -0.29894815 0.55536765 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 964-52-3 6420039 170465759 A Moxisylyte hydrochloride Cl.CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C Tox21_110194_1 -NCGC00090726-12 196697466 tox21-ror-cho-viability-p1 set1 4 37.5780357627 -17.758021432 -1 -18.758021432 4.9549173134 0.5511790838 0.135305358 -1.55590581 -1.36822815 -0.85002487 -1.5883965 -1.47073648 0.55017872 -0.8474834 -7.12221932 -5.16328593 -0.93887322 -1.21310639 7.06173838 -1.26073292 -1.7026729 -13.96501786 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 36791-04-5 37542 170464657 Z Ribavirin NC(=O)c1ncn(n1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O Tox21_110259_1 -NCGC00254431-01 196720730 tox21-ror-cho-viability-p1 set3 4 8.9490655 8.80903764 13.04083342 -7.21158566 12.46796015 7.38399561 8.76973795 13.79705033 -4.78379358 11.531128 3.11017991 8.91320562 2.83736114 -2.53624182 -4.86636307 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4449-51-8 442972 144210949 A A Cyclopamine CC4=C5C[C@@H]1[C@@]6(C)CC[C@H](O)CC6=CC[C@H]1[C@@H]5CC[C@@]24O[C@@H]3C[C@H](C)CN[C@H]3[C@H]2C Tox21_300632 -NCGC00253988-01 196720310 tox21-ror-cho-viability-p1 set3 4 0.46277287 -4.50723761 -6.5928189 -6.09878839 5.07392396 4.70938422 -5.98879741 -6.51680777 -6.73954797 -7.25032439 -7.03148852 -6.34311993 -3.31405686 -7.59996749 -1.96627946 5.739E-10 1.283E-9 2.87E-9 6.417E-9 1.435E-8 3.2079999999E-8 7.1739999999E-8 1.6039999999E-7 3.587E-7 8.021E-7 0.0000017939999999 0.00000401 0.000008968 0.00002005 0.00004484 10016-20-3 444913 144210622 A alpha-Cyclodextrin O[C@@H]2[C@@H](O)[C@@H]1O[C@H]7O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]2O[C@@H]1CO)[C@H](O)[C@H]3O)[C@H](O)[C@H]4O)[C@H](O)[C@H]5O)[C@H](O)[C@H]6O)[C@H](O)[C@H]7O Tox21_300302 -NCGC00254221-01 196720325 tox21-ror-cho-viability-p1 set3 4 6.42733901 -0.44612605 -2.92530864 0.99412955 3.08923354 -1.54038744 8.55885415 16.71642961 3.9460959 9.36198276 5.49527533 13.20112006 -7.90553855 15.52412049 14.85194874 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 132-64-9 568 144210372 A Ac Dibenzofuran c1cccc2oc3ccccc3c12 Tox21_300052 -NCGC00255056-01 196720725 tox21-ror-cho-viability-p1 set3 4 2.03667045 -0.76328686 5.6163291 5.46717757 1.44729115 -2.14126318 12.15191282 13.28580261 2.60436033 8.22243016 -4.28704871 6.99230277 2.99901484 7.46943458 5.06880707 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111109-77-4 86302 144211475 A Dipropylene glycol dimethyl ether COCCCOCCCOC Tox21_301158 -NCGC00254294-01 196720737 tox21-ror-cho-viability-p1 set3 4 -5.24927655 -8.09700837 -0.69561084 -7.29919476 -2.18660842 -1.84212839 -7.33979965 -7.15177603 -7.61147274 -3.86104979 -3.09216035 -7.17312753 1.16073354 -19.29448325 -19.96285684 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-26-8 7184 144210650 A A Butylparaben Oc1ccc(cc1)C(=O)OCCCC Tox21_300332 -NCGC00090686-07 196720738 tox21-ror-cho-viability-p1 set3 4 4.8557733675 -7.182597148 5.5 -1.682597148 4.9549173134 0.4468922333 0.2280559553 5.71511264 2.54130729 -1.69328729 8.2833959 13.61924774 5.30337352 5.65399398 5.24887207 3.65978961 3.49221448 5.62341249 -3.24935783 2.76206153 -3.90216429 -2.81527847 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00259625-01 196721127 tox21-ror-cho-viability-p1 set3 4 -4.38820621 -7.27567709 -5.54410104 0.96622329 -2.38096388 -5.60690651 -4.74122762 -6.01803553 -6.80683515 -4.0594555 -4.83461682 -6.35988902 -3.70355289 -3.72088571 -4.60603311 1.3479999999E-9 3.014E-9 6.74E-9 1.507E-8 3.37E-8 7.535E-8 1.685E-7 3.768E-7 8.425E-7 0.0000018839999999 0.000004212 0.000009419 0.000021059999999 0.0000471 0.0001053 107-13-1 7855 144209274 FNS Acrylonitrile C=CC#N Tox21_202076 -NCGC00259006-01 196721134 tox21-ror-cho-viability-p1 set3 4 30.6690184797 8.770583688 -3.770583688 5 4.9549173134 0.4601520492 0.2162853404 -8.55881974 -4.96585952 -5.85344037 4.67563931 -1.7944697 -3.80695739 -5.57433092 -6.07699258 -3.09801587 -1.48319829 -2.87541679 -4.56395755 -3.73991835 3.50993087 4.48061583 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.00000369 0.000008252 0.000018449999999 0.000041259999999 0.00009226 7747-35-5 82190 144208653 A A 5-Ethyl-1-aza-3,7-dioxabicyclo[3.3.0]octane CCC12COCN2COC1 Tox21_201455 -NCGC00256781-01 196719075 tox21-ror-cho-viability-p1 set2 4 -1.56757173 -0.30729805 3.93025828 4.9403178 1.36311038 5.76731741 1.87072584 -0.50346775 6.08961891 3.21205503 3.78028076 1.48955117 4.17651999 4.74448991 2.93172716 2.916E-9 6.52E-9 1.4579999999E-8 3.2599999999E-8 7.29E-8 1.63E-7 3.6449999999E-7 8.1499999999E-7 0.0000018219999999 0.000004075 0.000009112 0.000020379999999 0.00004556 0.0001019 0.0002278 1322-17-4 234237 144212872 D F 1,3-Nonanediol monoacetate O=C(C)OCCC(O)CCCCCC Tox21_302555 -NCGC00256904-01 196719059 tox21-ror-cho-viability-p1 set2 4 0.21586179 -2.85214122 -1.09642298 -5.07609268 -0.84678656 1.95643187 0.6348889 0.47315354 -0.00822581 -3.02003897 -1.05684181 0.82078764 1.4727239 0.13633709 3.20215197 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 1679-07-8 15510 144212992 Fns Cyclopentanethiol SC1CCCC1 Tox21_302675 -NCGC00256568-01 196719070 tox21-ror-cho-viability-p1 set2 4 1.15698608 -0.22354443 2.00573905 1.62291047 1.13143088 6.90090176 0.56096531 6.50602405 0.92534056 1.33092796 4.80968707 3.01086082 1.25099482 0.45617471 1.50977891 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-46-9 7142 144213166 A A N,N'-Di-2-naphthyl-p-phenylenediamine c1cc5ccccc5cc1Nc2ccc(cc2)Nc3cc4ccccc4cc3 Tox21_302849 -NCGC00256948-01 196719073 tox21-ror-cho-viability-p1 set2 4 -2.85207698 -2.38690722 -6.3334624 -3.10863069 -7.47746442 -4.74405312 -13.34997575 0.11541171 -3.52532628 -9.4501011 -1.63571471 -1.28116219 1.0725811 -2.75940217 0.54481978 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-64-2 8404 144213642 Z Fc Tetralin c1ccc2CCCCc2c1 Tox21_303325 -NCGC00255403-01 196728987 tox21-ror-cho-viability-p1 set3 4 -0.66807675 6.33264701 -4.0729244 2.32761857 -7.89464117 -4.85236571 6.48615365 -7.09310296 -6.75596181 0.90233735 5.35927724 -8.43881848 -7.37405328 4.1172608 -16.75980602 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65405-77-8 5371102 144212009 A F (3Z)-Hex-3-en-1-yl salicylate Oc1ccccc1C(=O)OCC/C=C\CC Tox21_301692 -NCGC00255608-01 196728974 tox21-ror-cho-viability-p1 set3 4 0.685896219 32.035866416 -8.035866416 24 0.2 0.4666673924 0.2255145812 -5.02988868 -0.08592369 -2.57133768 8.01609506 6.98999539 10.67314541 0.44086823 0.20394398 8.13553547 9.01976288 18.9870582 0.29494309 14.71193386 19.64269375 3.16595648 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67564-91-4 93365 144211888 A Fc (2R,6S)-Fenpropimorph C[C@H]2CN(CC(C)Cc1ccc(cc1)C(C)(C)C)C[C@@H](C)O2 Tox21_301571 -NCGC00256125-01 196728976 tox21-ror-cho-viability-p1 set3 4 -2.51218542 1.2120824 -0.26674458 1.4060056 -0.75832968 2.09297586 5.74198134 5.88343052 6.70757326 2.96560638 2.90471754 1.7987203 4.16225827 -0.88175867 1.31900906 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 701-64-4 12793 144212125 A A Phenyl dihydrogen phosphate OP(=O)(O)Oc1ccccc1 Tox21_301808 -NCGC00258132-01 196729381 tox21-ror-cho-viability-p1 set3 4 38.8062454974 6.221817156 -2.221817156 4 3.1319983358 0.419020149 0.2588577994 -0.7284103 -6.43484763 -4.06442465 -1.2659046 -0.76300462 0.12430431 -0.65397683 -0.45060657 -3.97115078 -1.00967322 -4.17640429 0.27240259 -2.8464041 1.41739922 3.73576338 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003707 0.0000082899999999 0.00001854 0.00004145 0.00009269 22113-86-6 193581 144207776 A A Ethylammonium nitrate CCN.[O-][N+](=O)O Tox21_200578 -NCGC00257914-01 196729807 tox21-ror-cho-viability-p1 set3 4 0.31340133 5.83972616 0.40706158 -0.11350142 0.19010416 0.9012851 1.11496271 5.42500498 6.1673036 0.54182959 5.54673589 -1.13771923 2.25401795 -0.77758455 1.04597117 1.156E-9 2.585E-9 5.78E-9 1.292E-8 2.8899999999E-8 6.4619999999E-8 1.4449999999E-7 3.231E-7 7.225E-7 0.000001616 0.000003613 0.000008078 0.000018059999999 0.00004039 0.00009031 768-52-5 13032 144207558 D N-Isopropylaniline CC(C)Nc1ccccc1 Tox21_200360 -NCGC00258304-01 196729809 tox21-ror-cho-viability-p1 set3 -1.1 12.1599490569 -92.3495861241 1.861010623 -90.4885755011 1.9673362061 0.9655427753 0.0000010614 -0.58845789 -0.09934284 0.16423531 -1.2787262 0.55609637 2.92401384 2.23959481 1.8432266 2.06619857 8.06521536 -8.32394519 -15.44440095 -77.53065223 -83.32467841 -80.60475395 1.177E-9 2.6319999999E-9 5.8849999999E-9 1.316E-8 2.942E-8 6.579E-8 1.471E-7 3.29E-7 7.356E-7 0.000001645 0.0000036779999999 0.000008224 0.00001839 0.000041119999999 0.00009195 374683-44-0 16212610 144207948 A A Trihexyltetradecylphosphonium hexafluorophosphate F[P-](F)(F)(F)(F)F.CCCCCC[P+](CCCCCCCCCCCCCC)(CCCCCC)CCCCCC Tox21_200750 -NCGC00258182-01 196729813 tox21-ror-cho-viability-p1 set3 4 12.2716123211 18.3890444559 -1.3890444559 17 1.4787409999 0.9608816514 0.0000021827 -4.49087038 0.31803706 -1.80335876 -0.54981146 0.33206816 -3.00501526 -1.39233444 0.2916592 -0.75732635 -0.48961609 1.23900516 4.82167153 10.46273359 14.42936906 16.23338306 1.1859999999E-9 2.653E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001854 0.00004145 0.00009268 126-33-0 31347 144207826 A A Sulfolane O=S1(=O)CCCC1 Tox21_200628 -NCGC00258596-01 196730220 tox21-ror-cho-viability-p1 set3 4 -0.29428822 2.76418161 1.09532674 3.29200922 2.03784963 2.54123861 1.17513987 4.55591149 4.0299276 0.26525163 4.73259392 3.01816163 2.14173885 1.70625131 0.74939208 1.197E-9 2.676E-9 5.9839999999E-9 1.338E-8 2.992E-8 6.69E-8 1.496E-7 3.345E-7 7.48E-7 0.000001673 0.00000374 0.000008363 0.000018699999999 0.000041819999999 0.0000935 15356-60-2 165675 144208241 A A (1S,2R,5S)-(+)-Menthol CC(C)[C@H]1CC[C@H](C)C[C@@H]1O Tox21_201043 -NCGC00258002-01 196730223 tox21-ror-cho-viability-p1 set3 4 0.15911403 0.28110068 0.83469903 0.08265934 -0.17956686 1.21598285 -0.31099418 0.5164337 0.20542423 3.27555039 0.46419783 -0.76462764 2.52082935 0.0665961 -1.60392873 1.195E-9 2.672E-9 5.975E-9 1.336E-8 2.988E-8 6.6809999999E-8 1.494E-7 3.34E-7 7.469E-7 0.0000016699999999 0.000003735 0.000008351 0.00001867 0.00004175 0.00009336 598-98-1 69027 144207646 FNS Methyl pivalate CC(C)(C)C(=O)OC Tox21_200448 -NCGC00258768-01 196730229 tox21-ror-cho-viability-p1 set3 4 3.74052189 5.78973745 5.41715336 3.40248579 4.72389544 5.93227163 -0.98937863 3.47431948 -0.36012037 -0.40811332 2.39205491 1.62514332 1.18202035 2.49788638 -1.45567683 1.18E-9 2.6389999999E-9 5.9009999999E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.000001649 0.000003688 0.0000082469999999 0.00001844 0.00004124 0.000092209999999 26544-38-7 22833321 144208414 A A Dihydro-3-(tetrapropenyl)- 2,5-furandione O=C1CC(C(/C)=C/C(C)CC(C)CC(C)C)C(=O)O1 Tox21_201216 -NCGC00257943-01 196730233 tox21-ror-cho-viability-p1 set3 4 0.06884782 1.41280448 0.01506716 6.56709727 1.82490076 3.1390058 0.05031592 1.7412193 3.44662447 2.81630036 3.76013489 2.34106784 5.77843785 1.25057044 3.4829184 1.156E-9 2.5839999999E-9 5.778E-9 1.292E-8 2.889E-8 6.46E-8 1.444E-7 3.23E-7 7.2219999999E-7 0.000001615 0.000003611 0.000008075 0.000018059999999 0.000040369999999 0.00009028 106-92-3 7838 144207587 A A Allyl glycidyl ether C=CCOCC1CO1 Tox21_200389 -NCGC00255995-01 196728647 tox21-ror-cho-viability-p1 set3 4 3.96182628 -0.40112929 -0.34077209 -0.20392099 7.17520803 3.0086999 -0.09358599 16.13527403 -2.8761395 -2.84683969 -6.90105895 9.60027561 5.44542553 4.52847725 -3.24831921 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1119-94-4 14249 144212401 A A Dodecyltrimethylammonium bromide [Br-].C[N+](C)(C)CCCCCCCCCCCC Tox21_302084 -NCGC00255426-01 196728628 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -83.716295676 -0.192338427 -83.908634103 4.5044702849 0.9541247099 0.0000052381 -2.60866327 -5.51671743 2.35376813 2.98773252 3.95650535 -4.17991161 4.44204105 0.70474438 -2.67450875 5.32923022 -4.85314959 3.13969939 -5.096806 -8.07969475 -66.59415405 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 153559-49-0 82146 144212724 A A Bexarotene O=C(O)c1ccc(cc1)C(=C)c2cc3c(cc2C)C(C)(C)CCC3(C)C Tox21_302407 -NCGC00090773-04 196702092 tox21-ror-cho-viability-p1 set1 4 1.77858202 0.08810177 -1.28370378 1.65481952 2.20231529 2.4200357 1.93047394 -0.96818681 3.36953535 2.61009966 1.76917144 0.35380745 3.94037352 1.21050465 -1.85651106 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00090701-06 196701680 tox21-ror-cho-viability-p1 set1 4 1.61215757 0.25193902 -0.69555157 3.2119525 2.67752777 -0.9903832 6.77293396 1.07410925 10.43432719 1.34546959 1.13993232 0.99763038 1.65120659 0.90572026 -0.08823061 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00091284-03 196702083 tox21-ror-cho-viability-p1 set1 -2.4 0.1219715124 -17.1476598079 -3.42427362 -20.5719334279 0.7999999999 0.8107580794 0.0063092394 -6.95420926 -5.8145571 -0.35356135 -4.80206085 -2.66169785 -14.94733062 -18.05321199 -12.83540458 -12.40119014 -18.44250528 -19.97029092 -19.53588715 -21.72661119 -20.94702075 -20.31278391 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00258752-01 196702088 tox21-ror-cho-viability-p1 set1 4 2.76352908 0.95351466 0.05184377 2.35655596 2.456293 -1.09995876 1.70824033 0.0523433 -0.76084705 1.92340996 3.39237971 -0.79666567 1.32352146 0.52519576 0.43642226 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003668 0.000008201 0.00001834 0.000041009999999 0.00009169 82097-50-5 73282 144208398 A A Triasulfuron Cc2nc(NC(=O)NS(=O)(=O)c1ccccc1OCCCl)nc(OC)n2 Tox21_201200 -NCGC00090858-02 196702094 tox21-ror-cho-viability-p1 set1 4 -0.80867017 1.65470848 1.82313494 0.75854745 -5.76781907 -0.96913431 2.93593097 2.46611829 5.98742681 -0.0899732 8.87205462 -1.51129793 10.21779044 2.19850384 -1.02554803 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00258110-01 196702502 tox21-ror-cho-viability-p1 set1 4 -0.09967958 -1.27028391 0.78695083 3.29304227 0.04758762 1.05671558 0.90281928 0.1890952 -1.57882386 1.24052122 2.13690731 1.38917913 3.5816629 1.49830601 -1.5129705 1.11E-9 2.481E-9 5.5479999999E-9 1.2409999999E-8 2.774E-8 6.203E-8 1.387E-7 3.1019999999E-7 6.935E-7 0.0000015509999999 0.0000034679999999 0.0000077539999999 0.00001734 0.00003877 0.00008669 778-22-3 13065 144207754 A A 2,2-Diphenylpropane CC(C)(c1ccccc1)c2ccccc2 Tox21_200556 -NCGC00258242-01 196702505 tox21-ror-cho-viability-p1 set1 4 -3.40355876 -0.8009809 -3.29571947 -1.19117959 -11.66130346 -1.29318812 -12.29045649 -8.44194002 2.70364907 -10.35385368 -11.12844813 -11.40226377 -10.33864797 -8.28587186 0.30027099 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.65E-8 1.487E-7 3.325E-7 7.4339999999E-7 0.000001662 0.0000037169999999 0.000008312 0.00001859 0.00004156 0.00009293 446-35-5 67967 144207886 A A 2,4-Difluoronitrobenzene Fc1cc(F)ccc1[N+](=O)[O-] Tox21_200688 -NCGC00258720-01 196702515 tox21-ror-cho-viability-p1 set1 4 0.666116 2.27622438 -3.47725171 -1.97445307 -3.20214735 0.39480563 1.00599858 -1.75327541 1.08061485 0.63873605 1.99250889 -1.75975557 3.89588229 0.50486157 2.04478139 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 75-15-0 6348 144208366 Carbon disulfide S=C=S Tox21_201168 -NCGC00255132-01 196700856 tox21-ror-cho-viability-p1 set1 4 -0.0392473 -0.12766192 -4.33572129 -2.9675786 1.00959738 -2.45154759 -2.17823591 2.2325776 -2.11497177 -3.27444789 -0.21556252 0.45398242 0.1780536 0.24119421 2.7374034 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 28434-01-7 162381 144212710 A A Bioresmethrin O=C(OCc2cc(Cc1ccccc1)oc2)[C@@H]3[C@@H](/C=C(\C)C)C3(C)C Tox21_302393 -NCGC00163815-04 196700443 tox21-ror-cho-viability-p1 set1 -2.1 58.1036241395 -114.1031581757 -0.1163094319 -114.2194676076 2.1876167061 0.9852451666 8.1E-9 2.29368158 -1.31208165 1.25445147 1.96949375 -1.24515488 0.6716781 0.78755466 0.5027128 -0.90573654 -7.53433674 4.23808092 0.08469215 -13.84731564 -37.87330188 -86.9250134 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00256153-01 196700446 tox21-ror-cho-viability-p1 set1 4 -0.78278706 0.77149371 3.57321564 2.4599952 -1.43942011 2.12383365 1.34866616 2.59722831 1.3726691 2.22634874 0.84611997 2.22800971 -0.17685148 2.25982147 2.94143798 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 929-59-9 70248 144211835 F Fns 2,2'-[Ethane-1,2-diylbis(oxy)]diethanamine NCCOCCOCCN Tox21_301518 -NCGC00255470-01 196700460 tox21-ror-cho-viability-p1 set1 4 0.0076958822 -14.661134276 1.64377892 -13.017355356 0.6 0.3615594956 0.308842286 -0.2968509 -1.36017589 -13.2017074 -3.31705902 -2.02859621 -16.3104034 -9.15432352 -16.84982965 -5.32246916 -14.23892452 -16.78753067 -10.0480679 -5.55044968 -19.59779613 -12.87952205 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60207-31-0 43233 144212169 A A Azaconazole Clc1cc(Cl)c(cc1)C2(OCCO2)Cn3cncn3 Tox21_301852 -NCGC00256039-01 196700861 tox21-ror-cho-viability-p1 set1 4 1.2197151236 7.444157872 -3.444157872 4 0.4 0.5028079222 0.178748601 0.07724055 -5.37013156 -3.4476809 -4.27013088 -1.04029826 0.4548212 -3.95915084 0.15503025 0.76360552 1.14039879 1.26948686 0.07274801 -0.29779782 6.77625896 1.60062884 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 70321-85-6 23674215 144212217 A A Potassium 4-[(3-oxobutanoyl)amino]benzenesulfonate [K+].O=S([O-])(=O)c1ccc(NC(=O)CC(C)=O)cc1 Tox21_301900 -NCGC00159407-04 196697765 tox21-ror-cho-viability-p1 set1 4 -0.82801625 -3.56409096 -0.08561707 -3.57095325 -3.96995374 -5.51291056 0.73005564 0.07493672 -5.82458733 1.19227923 1.2751014 0.82055515 -5.54879287 -2.53109895 2.88061844 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77-21-4 3487 170465223 F Glutethimide CCC1(CCC(=O)NC1=O)c2ccccc2 Tox21_111641_1 -NCGC00260372-01 196723926 tox21-ror-cho-viability-p1 set3 4 0.0427855215 3.952546416 0.047453584 4 4.9549173134 0.3953134826 0.2796716282 -2.1080494 3.68791952 -0.60859509 -1.17649845 2.82271969 -3.29378868 2.00044796 3.92893641 3.9524114 4.8189853 5.05512652 -0.92316494 3.09800849 2.92173009 7.95680931 3.3579999999E-10 7.509E-10 1.6789999999E-9 3.754E-9 8.395E-9 1.877E-8 4.198E-8 9.386E-8 2.099E-7 4.6929999999E-7 0.0000010489999999 0.0000023469999999 0.000005247 0.00001173 0.000026239999999 35578-47-3 96430 144210024 Ac 4,4'-Dibromobenzil O=C(c1ccc(Br)cc1)C(=O)c2ccc(Br)cc2 Tox21_202826 -NCGC00163771-03 196723935 tox21-ror-cho-viability-p1 set3 4 0.1368542878 5.9742632599 -3.4742632599 2.5 4.9549173134 0.4012314925 0.2715991548 2.55909771 -9.56188605 -2.07253599 -1.99781849 -3.07988222 -6.56519946 0.30066899 7.07233601 -1.02595746 3.14383829 -0.75184492 -0.15225386 1.55707873 1.72240266 9.0849566 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00357154-01 196723938 tox21-ror-cho-viability-p1 set3 4 -2.53184328 -0.09236228 5.84947112 -2.8470862 5.83770834 9.27525102 -0.81739686 -1.06733203 0.15118972 2.23933996 -2.24704975 1.30475141 -0.07911668 1.17173881 -5.98696933 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33693-04-8 36584 251919775 Terbumeton COc1nc(NCC)nc(NC(C)(C)C)n1 Tox21_303900 -NCGC00015429-14 196697777 tox21-ror-cho-viability-p1 set1 4 6.62817395 2.52834817 -1.52481981 1.05027005 1.25523999 0.5370453 4.07979643 3.72195436 3.33963003 1.2536436 2.37259209 0.61375089 1.09108413 2.03878208 3.84677382 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25451-15-4 3331 170465178 A Felbamate NC(=O)OCC(COC(N)=O)c1ccccc1 Tox21_110145_1 -NCGC00164624-02 196698176 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -14.0318058199 -0.5 -14.5318058199 4.9549173134 0.6412880304 0.070150218 -3.19324052 -3.48785438 -4.97917545 1.16748589 -1.80200261 0.37699613 -2.34145345 0.24991983 3.10553369 0.52051616 2.15241393 -1.36703298 0.78882484 0.23519182 -12.52650485 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 142340-99-6 60871 170464742 A Adefovir dipivoxil CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)COCCn2cnc1c(N)ncnc12 Tox21_112243_1 -NCGC00015340-14 196697809 tox21-ror-cho-viability-p1 set1 4 29.8492948118 -13.887098808 1 -12.887098808 0.8999999999 0.7228542197 0.0293755407 0.65330345 0.1385921 0.95417204 0.4476812 -0.44188786 1.23139371 1.40888125 3.0376746 1.41521117 -0.44919576 -0.59354631 0.16971763 -5.61404298 -1.29322559 -9.07258234 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-28-6 65327 170465424 A Desipramine hydrochloride Cl.CNCCCN2c3ccccc3CCc1ccccc12 Tox21_110129_1 -NCGC00260244-01 196723957 tox21-ror-cho-viability-p1 set3 4 0.0027084021 10.48553924 -6.48553924 4 0.5 0.4915279181 0.1890749022 -4.5712827 0.62672435 0.7150547 1.06492329 2.10566018 -0.32320667 3.86206679 2.40812732 3.65644223 3.61355658 1.19188269 6.84535286 1.94949468 0.88204851 7.88008887 1.172E-9 2.6199999999E-9 5.859E-9 1.31E-8 2.929E-8 6.55E-8 1.465E-7 3.275E-7 7.324E-7 0.0000016379999999 0.000003662 0.000008188 0.00001831 0.00004094 0.00009154 3878-80-6 13638937 144209894 FNS 1-Ethylpyridinium trifluoromethanesulfonate CC[n+]1ccccc1.FC(F)(F)S([O-])(=O)=O Tox21_202696 -NCGC00015760-12 196697799 tox21-ror-cho-viability-p1 set1 4 0.66019097 -4.29091005 0.36873389 -0.6197663 2.74435892 -0.29237913 -4.41719329 -0.91762728 1.8470345 0.14844687 2.57991396 1.89920287 2.58367728 -0.81130847 1.01748042 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104-14-3 4581 170465959 Z Octopamine OC(CN)c1ccc(O)cc1 Tox21_110215_1 -NCGC00253667-01 196697803 tox21-ror-cho-viability-p1 set1 4 -1.27364984 5.07023044 3.48364881 0.59399253 2.26819142 0.59263511 0.32412028 -0.18959714 2.88766661 2.25224121 0.81466961 2.89572224 3.66894426 4.25080547 2.64579852 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3721-95-7 19494 170466665 Z A Cyclobutanecarboxylic acid O=C(O)C1CCC1 Tox21_113791 -NCGC00091426-02 196697810 tox21-ror-cho-viability-p1 set1 4 0.0015355304 11.072049088 -10.072049088 1 4.9549173134 0.7948015973 0.0091852057 -8.39337424 2.64982687 -0.11020615 -0.72315605 1.9904126 0.88797317 2.47430716 2.74656998 1.74098422 0.70490007 0.12349791 -0.0901258 1.52049824 -0.25482343 1.35063462 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00164513-02 196697811 tox21-ror-cho-viability-p1 set1 4 -0.44430384 5.96124657 2.04034963 3.05805558 2.07936527 -0.92211264 2.92888403 3.55137169 -1.44628533 1.35040283 0.77327445 0.40008404 2.40508668 1.56766898 0.64640232 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13898-58-3 10718 170466201 A Benzoylpas OC(=O)c1ccc(cc1O)NC(=O)c2ccccc2 Tox21_112148_1 -NCGC00179392-03 196698205 tox21-ror-cho-viability-p1 set1 4 3.26141828 6.37846715 -0.09131291 2.62615037 6.81088112 3.53185552 3.86887375 6.14368061 3.95289836 2.09900153 3.73785044 3.72183088 0.98880606 5.66520255 4.03184726 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4419-39-0 20469 170464981 F Beclomethasone OCC(=O)[C@@]4(O)[C@@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(Cl)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_112116_1 -NCGC00256549-01 196727481 tox21-ror-cho-viability-p1 set3 4 2.99536083 3.17425672 1.81977188 1.96290298 -0.73798989 0.61394717 2.68338113 0.35335144 0.32245101 -0.69933629 4.59098544 0.88164744 1.11310897 1.38531175 -5.04381524 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1825-21-4 15767 144213152 A Ac Pentachloroanisole Clc1c(OC)c(Cl)c(Cl)c(Cl)c1Cl Tox21_302835 -NCGC00257294-01 196727070 tox21-ror-cho-viability-p1 set3 4 -3.8562243 0 -3.65177154 -1.48156427 0 -2.52229252 -0.91064463 -3.2842605 -1.94916882 0 -2.49580427 0 -12.37822639 -1.18569306 -1.50775779 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25564-22-1 117549 144213758 B Fns 2-Pentyl-2-cyclopenten-1-one O=C1CCC=C1CCCCC Tox21_303448 -NCGC00257092-01 196727072 tox21-ror-cho-viability-p1 set3 4 -6.1291657 -6.51656315 0.40948584 1.33958495 0.25432877 -0.40831538 1.94909836 1.23525921 0.7678653 1.66994018 3.04439676 0.91332466 2.21962298 -0.19366364 1.67487078 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-15-6 1110 144213564 A A Butanedioic acid O=C(O)CCC(=O)O Tox21_303247 -NCGC00256883-01 196727085 tox21-ror-cho-viability-p1 set3 4 2.47293774 -9.18074607 -0.8582307 -0.1970629 0.40587305 -8.25397128 -8.33787291 -1.76944986 -8.47669773 0.49723422 -2.74617674 9.79366451 0.88530796 -0.42329626 -0.93933728 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6790-58-5 10857465 144212991 A Ac (-)-Ambroxide CC3(C)CCC[C@@]1(C)[C@H]3CC[C@@]2(C)OCC[C@H]12 Tox21_302674 -NCGC00256859-01 196727487 tox21-ror-cho-viability-p1 set3 -2.2 54.4826732819 -57.6697585515 0.4961843619 -57.1735741896 1.98874246 0.9855721537 7.1E-9 0.0266747 0.82794875 -0.9905787 -1.39249294 0.07333463 1.7248426 -0.27530168 0.19103848 1.3218243 0.03734101 1.27887621 0.58448062 -8.50128758 -18.10034284 -43.31331378 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 28588-75-2 526624 144212906 A Bc Bis(2-methyl-3-furyl)disulfide Cc2occc2SSc1ccoc1C Tox21_302589 -NCGC00256739-01 196727488 tox21-ror-cho-viability-p1 set3 -2.1 53.9290828027 -91.6150792422 0.808257255 -90.8068219872 1.98874246 0.9929701906 1E-10 -0.28050822 -0.19809661 0.08995187 -0.5313193 -0.44231936 2.44560002 0.82302612 0.83793952 3.12438049 1.06790125 2.62642254 -4.55372495 -10.01849156 -31.50125223 -68.79304696 1.1699999999E-9 2.617E-9 5.852E-9 1.3079999999E-8 2.926E-8 6.542E-8 1.463E-7 3.271E-7 7.314E-7 0.0000016359999999 0.000003657 0.000008178 0.00001829 0.000040889999999 0.00009143 125225-28-7 86211 144212814 A A Ipconazole Clc1ccc(cc1)CC3CCC(C(C)C)C3(O)Cn2cncn2 Tox21_302497 -NCGC00257483-01 196727493 tox21-ror-cho-viability-p1 set3 4 0.0019331182 -7.0845375799 6 -1.0845375799 3.9899729863 0.3518606632 0.3225771052 5.20387876 0.61515917 -3.2513161 2.85269166 -0.25015805 -1.53319289 -1.82137573 -5.48711465 -1.89110286 1.09069638 1.31112244 -5.21767371 -1.76730062 0.32766085 0.25661787 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6728-26-3 5281168 144213702 F (2E)-2-Hexenal CCC\C=C\C=O Tox21_303390 -NCGC00179034-07 196725933 tox21-ror-cho-viability-p1 set3 2.2 13.3331902297 44.9226362172 3.4859645199 48.4086007371 0.7 0.7228370202 0.0286163596 0.4323175 0.41122343 11.54434924 4.36743502 14.18936184 2.0328084 5.25376598 0.55942287 14.64323971 13.09539521 -0.4283629 23.76894922 19.25358757 29.38693483 36.95240809 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 140-64-7 8813 170464786 A Pentamidine isethionate OCCS(=O)(=O)O.OCCS(=O)(=O)O.N=C(N)c1ccc(cc1)OCCCCCOc2ccc(cc2)C(=N)N Tox21_110742_1 -NCGC00090730-03 196725502 tox21-ror-cho-viability-p1 set3 4 4.35413423 6.33182 -0.96529852 3.2778966 2.00638605 1.10430727 4.14989487 8.00621858 6.51462084 5.2809168 5.30137114 -1.6717053 7.51017989 1.2696741 6.45894005 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 464-49-3 159055 170465497 F D-Camphor CC2(C)[C@H]1CC(=O)[C@]2(C)CC1 Tox21_110995_1 -NCGC00160631-02 196725511 tox21-ror-cho-viability-p1 set3 4 0.0011883218 -9.625783992 6 -3.625783992 0.9999999999 0.4706114312 0.2253696195 4.60893192 -1.61889953 -0.32303836 -0.57596057 -4.51543369 -0.61288003 -2.52980903 -8.02148666 -1.12098893 -6.4618922 -4.28752135 -2.91911281 -2.05630757 -1.99957863 -1.00066968 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52-85-7 5859 170466840 A Famphur O=S(=O)(N(C)C)c1ccc(OP(=S)(OC)OC)cc1 Tox21_111946_1 -NCGC00022043-06 196725919 tox21-ror-cho-viability-p1 set3 4 5.40343498 5.81998405 0.65170559 -0.74740059 -0.29494963 -1.80867092 -0.49123728 -1.03301803 0.49591248 -1.11833157 -0.35294445 -1.39733247 0.5585663 -1.04465754 -1.79280242 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56-47-3 5952 170465334 A Deoxycorticosterone acetate CC(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_110876_1 -NCGC00018261-06 196726357 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -94.509569875 0.099772309 -94.409797566 4.9549173134 0.9829205312 1.9E-8 0.03826017 0.40331013 6.18666501 0.40562398 4.04239532 -0.31157563 -0.67758355 -3.53762728 -3.21952359 -1.07792491 -0.23999772 -0.51128033 -3.17434408 -7.44936098 -82.8156119 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6724-53-4 5284439 170466435 A Perhexiline O=C(O)\C=C/C(=O)O.C(C(C1CCCCC1)C2CCCCC2)C3CCCCN3 Tox21_111395_1 -NCGC00256138-01 196710754 tox21-ror-cho-viability-p1 set2 4 -5.15964566 3.31372372 4.57446638 1.39311228 0.07922104 2.4817924 0.22361982 0.57130428 0.2643671 3.06716151 1.21754062 -0.14312683 -0.21937785 1.602164 3.25716233 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 682-09-7 61196 144211979 A A 2,2-Bis[(prop-2-en-1-yloxy)methyl]butan-1-ol C=CCOCC(COCC=C)(CC)CO Tox21_301662 -NCGC00255545-01 196710338 tox21-ror-cho-viability-p1 set2 4 3.27348096 3.111114 1.1338422 2.26685844 1.47472854 -0.02006781 0.04862644 0.03064472 1.05753076 1.0528212 0.43409285 1.43619688 -0.78303048 1.52752325 1.76946892 1.2589999999E-9 2.8149999999E-9 6.294E-9 1.4069999999E-8 3.1469999999E-8 7.037E-8 1.5729999999E-7 3.5179999999E-7 7.8669999999E-7 0.0000017589999999 0.000003934 0.0000087959999999 0.00001967 0.000043979999999 0.00009834 8004-92-0 24671 144212408 F C.I. Acid Yellow 3 disodium salt [Na+].[Na+].[O-]S(=O)(=O)c1cc(cc2ccc(nc12)C4C(=O)c3ccccc3C4=O)S([O-])(=O)=O Tox21_302091 -NCGC00255893-01 196710758 tox21-ror-cho-viability-p1 set2 4 8.32904586 5.72328228 4.66086242 -0.31043936 3.79115714 3.54037393 -0.07468521 1.30930994 -0.54116266 -0.57763254 0.99471029 0.79000987 0.93127371 1.21388608 -0.35104807 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3060-89-7 18290 144212281 A A Metobromuron Brc1ccc(NC(=O)N(C)OC)cc1 Tox21_301964 -NCGC00256237-01 196711150 tox21-ror-cho-viability-p1 set2 4 2.91912422 7.49569865 2.08643562 3.72204125 4.70332334 4.28326176 0.50117952 2.18082005 1.22207013 4.92445016 2.60268151 2.37082695 3.22676979 3.73165199 5.10753925 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-26-5 8171 144212328 A A 1,2-Bis(2-chloroethoxy)ethane ClCCOCCOCCCl Tox21_302011 -NCGC00255457-01 196711154 tox21-ror-cho-viability-p1 set2 4 -7.0873391 -1.05394645 -2.60909934 -4.62813101 -1.60105707 -1.68943334 -2.56042451 -2.27143875 -0.10158913 -1.6659274 -0.40312861 1.10025951 -0.67618018 -5.79928185 -5.87709119 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5104-49-4 3394 144212670 A A Flurbiprofen Fc2cc(ccc2c1ccccc1)C(C)C(=O)O Tox21_302353 -NCGC00255957-01 196711155 tox21-ror-cho-viability-p1 set2 4 5.4778609 0.21467334 0.07639827 2.58843643 -0.12862055 -0.02753454 -0.60491266 3.80302011 -0.83819139 4.96210083 4.02688052 1.9181796 2.31232068 4.27936335 7.65953314 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14073-97-3 26447 144212470 A (2S,5R)-5-Methyl-2-(propan-2-yl)cyclohexanone CC(C)[C@@H]1CC[C@@H](C)CC1=O Tox21_302153 -NCGC00255274-01 196711157 tox21-ror-cho-viability-p1 set2 4 4.84356762 3.21357624 -0.26216345 -1.61004713 2.85591312 -0.40357835 1.65660223 3.19845294 3.72293134 -0.73251252 3.50366615 2.87341261 -1.6804521 3.59401719 2.1319996 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 629-19-6 12377 144211816 F Dipropyl disulfide CCCSSCCC Tox21_301499 -NCGC00259649-01 196709118 tox21-ror-cho-viability-p1 set2 4 1.48871512 -0.29011428 1.36684198 -1.56890247 1.866771 -0.69157915 0.5918026 -0.71115639 -2.40151193 -2.73005099 -3.49523013 -1.74026501 -1.00265604 0.92445022 -0.21157874 1.203E-9 2.6889999999E-9 6.013E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.361E-7 7.516E-7 0.0000016809999999 0.000003758 0.000008403 0.000018789999999 0.00004202 0.00009395 13171-21-6 25750 144209298 C Phosphamidon COP(=O)(OC)OC(C)=C(Cl)C(=O)N(CC)CC Tox21_202100 -NCGC00259051-01 196709100 tox21-ror-cho-viability-p1 set2 4 11.69970457 10.98099978 10.29911361 1.68088965 5.08734191 10.23813148 5.70764402 7.9932098 10.90153256 9.23671019 9.35303949 -0.18983867 11.0133031 5.83492379 1.84463992 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004128 0.00009231 54827-17-7 41206 144208698 A A 3,3',5,5'-Tetramethylbenzidine Cc1cc(cc(C)c1N)c2cc(C)c(N)c(C)c2 Tox21_201500 -NCGC00090776-02 196709107 tox21-ror-cho-viability-p1 set2 4 2.024202 -2.03297212 -7.30661736 -10.04847886 1.33390716 -0.93925414 0.97053881 -2.67211033 -11.42638753 -3.37216394 -17.92668222 -2.31320604 -0.50937325 -2.69985273 1.55062247 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00259519-01 196709116 tox21-ror-cho-viability-p1 set2 -2.4 77.4286392264 -29.05631498 1 -28.05631498 4.9549173134 0.9204351793 0.0001013993 3.01243975 -1.15544973 0.32778968 -0.64758035 0.67547164 3.23904541 -1.44241285 2.48372586 -0.17978418 3.58288537 1.7248297 1.92452579 2.19502862 -0.20646127 -20.04692915 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.629E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008287 0.00001853 0.000041429999999 0.00009265 17696-61-6 86607 144209168 A A sec-Butylparaben Oc1ccc(cc1)C(=O)OC(C)CC Tox21_201970 -NCGC00259448-01 196709519 tox21-ror-cho-viability-p1 set2 -3 68.7989315376 -47.2255164587 -1.838604568 -49.0641210267 4.9549173134 0.9028566221 0.0002787908 2.4776075 -0.20873781 -1.65756905 -1.41551042 -5.05172842 -0.94218437 -6.5109867 -1.8169649 2.8589655 1.43820251 -5.9817677 -4.7078696 -5.61663279 -0.79797828 -40.52708018 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004132 0.0000924 100-20-9 7488 144209097 D 1,4-Benzenedicarbonyl dichloride O=C(Cl)c1ccc(cc1)C(Cl)=O Tox21_201899 -NCGC00259188-01 196709528 tox21-ror-cho-viability-p1 set2 4 1.66523719 9.671673016 -8.171673016 1.5 0.5 0.7702569043 0.0142939885 -7.43932806 -8.18087384 -9.72639418 -7.62566425 -4.79457846 -4.12053416 -8.56347222 -4.80166435 -3.46029502 -6.24239209 -0.58500718 -2.46577328 0.51776849 -0.12695988 -0.06705635 1.1469999999E-9 2.564E-9 5.733E-9 1.282E-8 2.866E-8 6.4089999999E-8 1.433E-7 3.205E-7 7.1659999999E-7 0.000001602 0.000003583 0.000008012 0.00001791 0.00004006 0.000089569999999 108-95-2 996 144208837 A A Phenol Oc1ccccc1 Tox21_201639 -NCGC00091261-03 196711006 tox21-ror-cho-viability-p1 set2 4 4.64725386 -1.49142107 1.34022666 2.2015043 0.09233412 0.00276777 1.72754644 -1.5938853 3.46692233 3.45252753 3.42024511 2.83968881 1.55196248 2.51846691 -2.82139843 1.1699999999E-9 2.6159999999E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.539E-8 1.462E-7 3.269E-7 7.311E-7 0.000001635 0.0000036549999999 0.000008173 0.00001828 0.000040869999999 0.00009138 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00090708-05 196710591 tox21-ror-cho-viability-p1 set2 -1.2 3.8570778872 -41.1162002855 -4.56360494 -45.6798052255 2.2526478767 0.929053048 0.0000551222 -4.93609291 -3.38134809 -7.24146009 -5.94974593 0.44875229 -12.2601269 -5.23799266 -3.84925974 -4.77468612 -5.00686052 -22.04816786 -45.72506968 -50.18729711 -47.44062285 -34.25420898 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00255245-01 196710595 tox21-ror-cho-viability-p1 set2 4 0.26538905 3.56644434 1.12004183 3.08061161 1.2145683 0.46606033 2.50463748 2.44988497 1.1888138 2.89153843 1.60006385 2.12808893 2.06673483 -1.10273133 2.32757073 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-92-7 8908 144211710 F F Hexyl acetate O=C(C)OCCCCCC Tox21_301393 -NCGC00255929-01 196710596 tox21-ror-cho-viability-p1 set2 4 1.7228934059 -14.803057872 5.5 -9.303057872 0.5 0.8744379313 0.0009922697 3.01213285 9.03901483 1.99053304 4.29254437 4.98971364 2.73555158 -0.0239833 2.48486934 0.08371882 -2.12934902 -2.37466648 -4.32576813 -7.01227433 -7.33588156 -6.477464 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58769-20-3 16722125 144212539 A B Kadethrin O=C(OCc2cc(Cc1ccccc1)oc2)[C@H]4[C@@H](\C=C3/CCSC3=O)C4(C)C Tox21_302222 -NCGC00254622-01 196699698 tox21-ror-cho-viability-p1 set1 4 153.3968940524 -16.698294568 0.5 -16.198294568 0.4 0.3180869387 0.351612836 2.33289897 -4.02573225 1.46516937 0.92364349 0.62973911 0.74065383 1.47914803 0.20978979 -8.48274074 0.73813201 0.39620713 -7.59653212 -5.04844744 1.46031679 -11.83191214 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 95737-68-1 91753 144211033 A A Pyriproxyfen CC(COc2ccc(Oc1ccccc1)cc2)Oc3ccccn3 Tox21_300716 -NCGC00256341-01 196726676 tox21-ror-cho-viability-p1 set3 4 2.31193707 -4.59845603 2.3602516 -4.80652658 -0.37914597 0.50436901 -4.93035676 -0.23890282 0.47483626 -1.792427 0 0.31539317 -0.19829899 2.50676551 -1.53701317 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-76-1 7257 144213156 A A 3,4-Dichloroaniline Nc1cc(Cl)c(Cl)cc1 Tox21_302839 -NCGC00257142-01 196726682 tox21-ror-cho-viability-p1 set3 4 -0.01769347 -0.55773125 4.00759912 3.38885612 1.55958589 0.74183223 1.08707712 -1.47131151 0.63620921 1.88591133 0.44697564 2.998348 2.70868988 4.21984024 0.08153197 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 89-57-6 4075 144213442 D Fns 5-Aminosalicylic acid OC(=O)c1cc(N)ccc1O Tox21_303125 -NCGC00015416-05 196726278 tox21-ror-cho-viability-p1 set3 4 4.47425719 3.90066256 -1.20576579 0.06836385 -4.49767733 0.19423671 -1.59205205 4.52835705 -1.24971283 -0.15060562 2.92004412 1.9687534 -0.39887794 -2.42965693 2.57557413 5.899E-12 1.319E-11 2.949E-11 6.595E-11 1.475E-10 3.2969999999E-10 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 67-42-5 6207 170466544 F Egtazic Acid O=C(O)CN(CC(=O)O)CCOCCOCCN(CC(=O)O)CC(=O)O Tox21_110141_1 -NCGC00257102-01 196726675 tox21-ror-cho-viability-p1 set3 4 1.69812878 0.02742216 0.67037037 1.79456869 2.69988765 -1.72718847 1.52996529 2.82509938 1.17391996 1.49083321 3.17445032 1.96226364 0.24840305 0.24106817 -2.0811656 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-17-3 8836 144213401 A A Bis[2-(2-butoxyethoxy)ethyl] hexandioate CCCCOCCOCCOC(=O)CCCCC(=O)OCCOCCOCCCC Tox21_303084 -NCGC00249914-01 196725862 tox21-ror-cho-viability-p1 set3 1.2 5.9557173066 55.9881757656 2.8267887399 58.8149645055 0.7 0.9216210153 0.0000928559 3.07223109 3.9497741 1.85344622 -0.57274548 2.45561462 7.51142386 2.23496619 7.25203096 11.5676806 25.28026391 14.147089 18.34942346 37.56931941 46.74388198 49.28642136 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2179-37-5 2312 170465760 A A Bencyclane CN(C)CCCOC1(CCCCCC1)Cc2ccccc2 Tox21_113690 -NCGC00016394-10 196726260 tox21-ror-cho-viability-p1 set3 4 0.7497803863 5.78302558 -3.28302558 2.5 2.7867712143 0.3592120717 0.3283938074 -6.61752825 0 -6.40547064 2.98092102 -5.37654924 3.46490744 -6.54875745 -7.73585465 -0.69392904 -0.91420343 2.7559093 2.81455623 1.81305258 3.08126011 -8.27960513 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 131-57-7 4632 170465010 A 2-Hydroxy-4-methoxybenzophenone O=C(c1ccc(cc1O)OC)c2ccccc2 Tox21_110418_1 -NCGC00255589-01 196727936 tox21-ror-cho-viability-p1 set3 4 0.0227123582 -7.930509108 8.5 0.569490892 4.9549173134 0.5057388192 0.173883972 0.70807605 12.86358766 8.09327536 12.96048454 2.0552708 -4.10875759 -0.60169064 3.7768414 1.12547815 0.34985954 -3.09304455 3.69795069 0.06899322 3.22660773 2.69821057 1.1139999999E-9 2.49E-9 5.568E-9 1.2449999999E-8 2.784E-8 6.226E-8 1.3919999999E-7 3.113E-7 6.9599999999E-7 0.000001556 0.0000034799999999 0.000007782 0.0000174 0.000038909999999 0.000087 25638-17-9 60196422 144212087 F Butylnaphthalenesulfonic acid sodium salt [Na+].[O-]S(=O)(=O)c2cccc1ccc(cc12)CCCC Tox21_301770 -NCGC00357100-01 196724175 tox21-ror-cho-viability-p1 set3 4 10.8707224818 9.7064701439 -1.2064701439 8.5 3.5117481694 0.4932422827 0.2020496853 -6.05308819 -1.48595181 2.36487135 -3.91644522 2.56228829 -1.83074096 1.07557275 0.25344713 2.28154961 -9.33872512 0.60082207 0.52871987 8.825204 7.48507241 3.28161084 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-78-4 8011 251919685 A 3-Hydroxypropanenitrile N#CCCO Tox21_303822 -NCGC00164164-02 196722943 tox21-ror-cho-viability-p1 set3 4 0.6113056486 14.5733741479 -6.5733741479 8 4.9549173134 0.4928588894 0.1844335583 -1.61198041 0.58368697 -3.15081441 -16.8660235 0.57667412 -13.54430192 2.92511 -20.47781179 6.1793476 5.93789514 7.71304485 3.53353982 8.0903135 3.82775592 16.42605625 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00166158-02 196722532 tox21-ror-cho-viability-p1 set3 4 -2.44717113 -0.46087938 -2.36794288 0.57166714 0.37980561 -1.39128099 -1.53236381 -1.29217015 -5.71983926 -6.51176245 -4.90716369 -7.4190833 -7.35538064 -8.48289486 6.24348987 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14816-18-3 9570290 170466592 A Phoxim CCOP(=S)(O\N=C(/C#N)c1ccccc1)OCC Tox21_113357_1 -NCGC00095042-06 196722936 tox21-ror-cho-viability-p1 set3 4 81.1251834709 32.7325652041 1.2674347959 34 0.8999999999 0.6006166276 0.0964583851 2.22417642 6.09836986 -0.9005834 -4.77713767 -2.35353208 -2.9961351 8.89515297 2.21543518 7.95627291 3.44157491 4.21236923 6.49749474 2.26550682 8.98389918 25.73321335 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00178831-03 196722941 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -120.3225682369 3.9686217493 -116.3539464876 4.9549173134 0.9623813044 0.0000017377 10.01867138 11.3243275 -3.02439823 3.30387717 7.93498636 -1.93432906 -3.77865418 1.68371218 -1.99058688 5.74061127 1.87841949 9.55433966 4.13145899 -0.28716998 -102.06486534 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69235-50-3 443101 170465670 I Acriflavine hydrochloride [Cl-].C[n+]1c3cc(N)ccc3cc2ccc(N)cc12.Nc1cc2nc3cc(N)ccc3cc2cc1 Tox21_111337_1 -NCGC00090987-03 196722944 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -22.267766652 2 -20.267766652 2.9522712143 0.4839138813 0.1931399064 2.41164678 0.8495043 9.28121151 2.42825188 1.71464316 1.55524686 1.36734182 -0.37139509 -5.8032168 2.89488111 12.81821237 -1.49740854 -0.17511878 -1.9504664 -13.55647221 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00256513-01 196718429 tox21-ror-cho-viability-p1 set2 4 0.0243365162 6.198350852 -3.198350852 3 4.9549173134 0.3900676179 0.2825861819 -1.51967098 -1.14373512 -0.38882418 -10.99862571 2.2841468 5.90342646 3.60846946 5.34617589 7.36009927 1.64937293 4.58408124 -1.60390029 0.40674615 -0.63162795 0.5116957 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 443-48-1 4173 144213111 A A Metronidazole Cc1ncc([N+]([O-])=O)n1CCO Tox21_302794 -NCGC00256461-01 196718420 tox21-ror-cho-viability-p1 set2 4 -0.36110349 3.14068114 3.12866129 1.11824902 -1.79171824 0.55971378 0.95571176 2.68355203 1.56327768 -1.84215067 -1.04797194 1.38183898 -0.02356865 3.15580623 1.48755706 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 619-17-0 12076 144213259 A A 4-Nitroanthranilic acid OC(=O)c1ccc(cc1N)[N+]([O-])=O Tox21_302942 -NCGC00256515-01 196718424 tox21-ror-cho-viability-p1 set2 4 -0.45188175 4.28824417 3.17573273 -28.98775479 0.35780412 6.20363978 -0.92064857 1.52142119 1.36208552 2.45453812 6.4688162 4.0694616 2.29101054 -1.76922075 3.06661673 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-25-8 4021 144213136 A C 1-Phenyl-3-methyl-5-pyrazolone O=C2CC(C)=NN2c1ccccc1 Tox21_302819 -NCGC00091657-02 196718425 tox21-ror-cho-viability-p1 set2 4 0.23672601 0.29417652 0.4354678 -0.28094853 0.47384441 2.39903078 0.23761027 4.02279748 1.94018775 1.53295332 4.12965509 4.7433701 0.63337076 6.4698949 2.52891581 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00257448-01 196718830 tox21-ror-cho-viability-p1 set2 4 1.92766926 1.15289653 0.54138673 0.07078843 3.01693271 4.41964007 -0.12309793 5.64801963 2.02039586 3.21316826 6.86980856 -2.6036094 1.31845318 4.39927177 3.81052627 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 109-02-4 7972 144213713 Fns 4-Methylmorpholine CN1CCOCC1 Tox21_303402 -NCGC00256499-01 196718833 tox21-ror-cho-viability-p1 set2 4 4.77721271 -0.4233181 4.78779758 2.05044775 -2.1086111 2.75489277 0.73478084 2.04772593 2.10202202 -2.40361964 -0.14527614 4.35248172 0.9441649 4.74320966 3.15479643 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1570-64-5 14855 144213205 A A 4-Chloro-2-methylphenol Cc1cc(Cl)ccc1O Tox21_302888 -NCGC00256883-01 196718839 tox21-ror-cho-viability-p1 set2 4 0.52369186 -0.20902755 -2.21224191 0.41703379 2.73062923 2.79163479 -0.19781429 2.68394825 0.98918623 0.15376756 5.26737491 1.73073751 0.5021455 -0.28048956 -1.62238175 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6790-58-5 10857465 144212991 A Ac (-)-Ambroxide CC3(C)CCC[C@@]1(C)[C@H]3CC[C@@]2(C)OCC[C@H]12 Tox21_302674 -NCGC00257411-01 196718840 tox21-ror-cho-viability-p1 set2 4 -0.2481604 -2.0431633 -0.43067848 0.10483119 -1.63626536 -2.0703105 0.63128225 2.19645843 1.10703021 1.55725711 1.61592026 3.68659277 0.69265352 3.78374382 7.55558402 4.5419999999E-10 1.016E-9 2.2709999999E-9 5.078E-9 1.135E-8 2.5389999999E-8 5.677E-8 1.2699999999E-7 2.839E-7 6.348E-7 0.0000014189999999 0.0000031739999999 0.000007097 0.00001587 0.000035479999999 102676-31-3 59694 144213918 A A Fadrozole hydrochloride Cl.N#Cc1ccc(cc1)C3CCCc2cncn23 Tox21_303613 -NCGC00260476-01 196723753 tox21-ror-cho-viability-p1 set3 4 -3.77755662 1.97822762 4.63531496 2.5315022 5.5869846 0.02508786 7.27001083 -1.24405039 1.41689743 7.38333487 10.53257006 9.41047639 2.40606349 -1.20994872 1.32796617 1.1859999999E-9 2.6519999999E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001853 0.000041439999999 0.000092669999999 555-16-8 541 144210128 A A 4-Nitrobenzaldehyde O=[N+]([O-])c1ccc(C=O)cc1 Tox21_202930 -NCGC00260570-01 196723743 tox21-ror-cho-viability-p1 set3 4 0.0010590929 22.1775740879 -24.1775740879 -2 0.7999999999 0.5179216618 0.1627647322 -18.48131174 -7.06858059 -10.29267719 -7.76431225 -6.65331381 -2.52633082 2.2291536 -0.46420892 -7.72388172 -8.49247529 7.01686031 -3.01824441 -6.01988267 0.95096596 -0.39515316 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49466 144210223 M M NTP Mix78 CT1 62-EQP Tox21_203025 -NCGC00257676-01 196723747 tox21-ror-cho-viability-p1 set3 4 -1.60408731 0.99698424 2.21770881 2.04875768 6.79835031 0.47129695 6.0279974 -0.153261 2.21528269 -1.99467875 6.22697853 3.74378735 5.18266939 4.58053575 2.71122232 1.194E-9 2.671E-9 5.9709999999E-9 1.335E-8 2.986E-8 6.676E-8 1.493E-7 3.338E-7 7.464E-7 0.000001669 0.000003732 0.000008345 0.00001866 0.000041729999999 0.000093299999999 50-02-2 5743 144207320 A A Dexamethasone OCC(=O)[C@@]4(O)[C@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_200122 -NCGC00091632-02 196697379 tox21-ror-cho-viability-p1 set1 4 38.5707788719 -7.600909176 -0.5 -8.100909176 2.1876167061 0.6738554125 0.0527311531 -2.34032932 -3.20540228 -0.58641223 -0.44413794 -1.05880921 0.06049006 0.26024217 0.10282318 -1.72345141 2.95752048 -0.36797879 -0.94869715 -2.17034628 -4.18470087 -7.58409098 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00016511-08 196697334 tox21-ror-cho-viability-p1 set1 4 37.5780357627 -23.033293216 -1 -24.033293216 4.9549173134 0.8173192777 0.0054632217 -0.36871752 -0.32250933 0.08561707 -4.95354857 -2.88425198 -0.37370095 -1.55237048 -4.95198152 1.96469598 2.21454341 -0.36392316 -2.71413202 -1.84821067 -2.15087886 -18.36107768 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 569-57-3 11289 170465394 F Chlorotrianisene COc1ccc(cc1)C(\Cl)=C(/c2ccc(OC)cc2)c3ccc(OC)cc3 Tox21_110466_1 -NCGC00025315-02 196697338 tox21-ror-cho-viability-p1 set1 4 -0.13077978 -1.18190442 -3.54049572 -0.80885307 -2.28891866 0.16915206 1.84499391 -1.57871475 -0.79689582 -3.53645518 1.09512136 -3.43096451 -4.12427799 -0.23147824 -0.64513214 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 95847-70-4 56971 170466380 A Ipsapirone O=C4c1ccccc1S(=O)(=O)N4CCCCN2CCN(CC2)c3ncccn3 Tox21_110962_1 -NCGC00017400-10 196697378 tox21-ror-cho-viability-p1 set1 -3 33.4914596268 -57.5362047952 -2.846225057 -60.3824298522 4.9549173134 0.9572984761 0.0000035273 -6.23391568 0.49520684 -2.18587759 -6.70184821 -2.30825234 -3.02303427 -3.53505879 -1.01504945 -3.98013014 0.29028108 -4.17354712 -4.4969057 -2.72994254 -1.37139235 -52.96704373 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 511-12-6 10531 170465012 A Dihydroergotamine CN1C[C@@H](C[C@@H]2c3cccc4ncc(C[C@@H]12)c34)C(=O)N[C@]8(C)O[C@]7(O)N([C@@H](Cc5ccccc5)C(=O)N6CCC[C@H]67)C8=O Tox21_110821_1 -NCGC00160440-03 196697384 tox21-ror-cho-viability-p1 set1 4 2.14353761 -2.62683894 -0.72602847 0.06669487 2.27475418 -1.95683018 -1.44395868 -2.52462197 -4.8614457 -4.81415412 -2.95789433 -4.29030084 -2.76424369 0.2878648 -1.82894017 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53808-88-1 68706 170466434 A Lonazolac O=C(O)Cc1cn(nc1c2ccc(Cl)cc2)c3ccccc3 Tox21_111812_1 -NCGC00182709-03 196697388 tox21-ror-cho-viability-p1 set1 4 -1.38622205 -1.10047788 1.00789213 0.1309458 2.08610933 -0.3101924 -2.40071089 5.75245846 -2.24018877 5.68996578 4.49293632 2.66688991 -0.6944916 3.38052842 -0.01157178 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 144481-98-1 164457 170465910 A Landiolol hydrochloride Cl.CC3(C)OC[C@@H](COC(=O)CCc2ccc(OC[C@@H](O)CNCCNC(=O)N1CCOCC1)cc2)O3 Tox21_113021_1 -NCGC00182987-01 196697426 tox21-ror-cho-viability-p1 set1 4 -0.83133251 4.18203384 1.89186635 -1.64790187 -3.42016594 -2.2880444 0.03441192 -1.61942898 -1.10234643 0.62057672 -2.65620833 0.52595762 0.22746031 3.1247774 4.97961114 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 101973-77-7 127998 144206833 A A Esonarimod Cc1ccc(cc1)C(=O)CC(CSC(C)=O)C(=O)O Tox21_113282 -NCGC00015675-11 196697427 tox21-ror-cho-viability-p1 set1 4 -1.01645351 -1.12189413 0.24836076 0.0147213 0.82752885 1.8044153 2.32885935 1.21907572 1.05080639 -1.0869015 2.08217051 1.40417552 2.72882009 1.65424022 0.69829205 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 78415-72-2 4197 170465221 A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_112113_1 -NCGC00261968-01 196697432 tox21-ror-cho-viability-p1 set1 4 -2.18230931 -0.13424091 0.34436371 -1.2241294 -0.761928 -1.17005884 -2.24598448 -2.22515653 -1.57890932 1.34504262 -0.44145761 -2.61398117 -1.2489028 0.49060236 2.14372646 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53684-49-4 2465 170465825 A A Bufetolol CC(C)(C)NCC(O)COc2ccccc2OCC1CCCO1 Tox21_113888 -NCGC00256772-01 196708120 tox21-ror-cho-viability-p1 set1 4 0.8721401 0.89218121 0.51770503 0.0411632 0.49900037 0.25783898 -0.3411273 3.93432588 0.81182531 2.30620362 -5.94307351 1.92747502 3.49851365 1.33510076 3.40880705 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 33693-84-4 134976 144213012 A A tert-Butyl hydrogen phthalate O=C(O)c1ccccc1C(=O)OC(C)(C)C Tox21_302695 -NCGC00254462-01 196708125 tox21-ror-cho-viability-p1 set1 4 2.20045841 2.17754765 0.19599055 1.23075704 2.85885792 1.88385225 1.25129348 6.54112654 2.101158 2.84115118 2.40851045 3.04312164 1.42774747 2.31247101 0.56845524 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-47-8 8434 144210653 A A Ethylparaben Oc1ccc(cc1)C(=O)OCC Tox21_300335 -NCGC00257443-01 196708128 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -38.906558508 -4.269758908 -43.176317416 3.1319983358 0.8414855464 0.0029012148 -7.34566205 -4.19690783 -10.69878933 -8.77944401 -6.22138224 -2.68553622 -3.12650035 -2.45541105 -6.21541223 -0.22479909 -7.58250782 -5.94151472 -7.26435907 -9.16220122 -32.64693118 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-45-6 7811 144213919 F A 4-Thiocresol Cc1ccc(S)cc1 Tox21_303614 -NCGC00258898-01 196706060 tox21-ror-cho-viability-p1 set1 4 0.2352210052 8.6560073759 -8.1560073759 0.5 4.9549173134 0.494743657 0.1832728565 -0.82449666 -7.10922756 -18.46333948 -9.94669068 -3.53137927 -5.87445415 -12.77632805 3.36800451 -3.08225644 -2.71959775 0.36652097 0.77048161 -0.64622731 2.15218414 2.17765628 1.1469999999E-9 2.566E-9 5.7369999999E-9 1.2829999999E-8 2.868E-8 6.414E-8 1.434E-7 3.2069999999E-7 7.1709999999E-7 0.000001603 0.000003585 0.000008017 0.00001793 0.00004009 0.00008964 110-12-3 8034 144208544 A Fc 5-Methyl-2-hexanone CC(C)CCC(C)=O Tox21_201346 -NCGC00258954-01 196705654 tox21-ror-cho-viability-p1 set1 4 2.79905271 1.52793155 -1.11848347 -0.29336257 3.82232794 1.57956712 2.92571333 0.32168166 2.68430833 0 1.22260252 2.55368269 1.06546219 1.26562081 0.93159804 1.1689999999E-9 2.615E-9 5.8469999999E-9 1.3069999999E-8 2.9229999999E-8 6.537E-8 1.462E-7 3.268E-7 7.308E-7 0.0000016339999999 0.0000036539999999 0.0000081709999999 0.00001827 0.00004086 0.000091349999999 112-63-0 5284421 144208601 A Ac Methyl linoleate O=C(CCCCCCC/C=C\C/C=C\CCCCC)OC Tox21_201403 -NCGC00259332-01 196705660 tox21-ror-cho-viability-p1 set1 4 0.003931724 -10.1791920159 10 -0.1791920159 4.4494702849 0.6856260275 0.0452591123 9.59263699 10.35709499 -1.77096041 0.14938192 1.02043012 -0.47460486 -1.9024967 -1.70862094 5.44552846 0 -0.05492572 -5.14932668 1.25766921 -0.49944656 0.72120652 1.1989999999E-9 2.6809999999E-9 5.9959999999E-9 1.3409999999E-8 2.998E-8 6.704E-8 1.4989999999E-7 3.352E-7 7.495E-7 0.000001676 0.000003747 0.00000838 0.000018739999999 0.000041899999999 0.000093689999999 120-58-1 8439 144208981 B Isosafrole CC=Cc1ccc2OCOc2c1 Tox21_201783 -NCGC00259099-01 196705663 tox21-ror-cho-viability-p1 set1 4 -5.40248965 -3.06202712 -3.96480263 -10.4909974 -1.09372156 0.39782793 -0.15248025 -1.914525 0.49138696 0 -1.54313649 -0.62191648 0.01363856 -12.67235229 -7.39687238 1.173E-9 2.624E-9 5.867E-9 1.312E-8 2.934E-8 6.56E-8 1.4669999999E-7 3.28E-7 7.334E-7 0.0000016399999999 0.000003667 0.0000081989999999 0.00001833 0.000041 0.00009167 92-70-6 7104 144208748 A A 3-Hydroxy-2-naphthoic acid O=C(O)c1cc2ccccc2cc1O Tox21_201550 -NCGC00259337-01 196706477 tox21-ror-cho-viability-p1 set1 4 3.28593542 2.61987383 2.46292454 4.99750574 2.79325164 2.99459575 3.43264392 1.67591202 6.00244964 0 1.07736147 0.8278033 3.39689815 2.9453958 -1.72997298 1.1699999999E-9 2.6159999999E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.539E-8 1.462E-7 3.269E-7 7.311E-7 0.000001635 0.0000036549999999 0.000008173 0.00001828 0.000040869999999 0.00009138 4553-62-2 20686 144208986 A A 2-Methylpentanedinitrile CC(CCC#N)C#N Tox21_201788 -NCGC00259883-01 196706484 tox21-ror-cho-viability-p1 set1 4 0.97070724 1.61232143 -0.36742305 -3.34395813 2.06231651 -0.00233345 3.47543986 0.31106463 9.10585285 8.45920157 2.00936221 1.45727331 0.20251885 0.0344176 2.27884442 1.14E-9 2.548E-9 5.698E-9 1.2739999999E-8 2.849E-8 6.371E-8 1.4249999999E-7 3.185E-7 7.123E-7 0.0000015929999999 0.000003561 0.000007963 0.000017809999999 0.00003982 0.000089029999999 924-16-3 13542 144209532 I A N-Nitrosodibutylamine CCCCN(CCCC)N=O Tox21_202334 -NCGC00091657-02 196706892 tox21-ror-cho-viability-p1 set1 4 1.44866036 8.64203208 -0.17072654 -0.67322684 1.30079274 0.14617793 1.39202213 -0.62442822 3.13498371 3.32623574 -0.658922 -4.65345009 0.56461889 0.95398154 1.53840925 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00259531-01 196706894 tox21-ror-cho-viability-p1 set1 4 0.91945263 -1.35631961 -0.60439846 8.09998856 -0.30275916 0.63744935 1.664611 -5.26662713 2.18957021 16.08782709 1.57246314 -1.45140351 2.40770942 0.66732169 -0.96450993 1.166E-9 2.606E-9 5.8279999999E-9 1.303E-8 2.9139999999E-8 6.516E-8 1.457E-7 3.2579999999E-7 7.285E-7 0.000001629 0.0000036429999999 0.0000081449999999 0.00001821 0.00004073 0.00009106 100-47-0 7505 144209180 A Fns Benzonitrile N#Cc1ccccc1 Tox21_201982 -NCGC00259319-01 196706904 tox21-ror-cho-viability-p1 set1 4 7.74054208 6.73843493 3.24661304 5.84170024 0.46666697 1.35832084 -0.53824069 3.95817059 5.25540126 13.9220336 1.43408052 3.84891102 0.6666447 0.05596345 -0.03046795 1.1919999999E-9 2.6649999999E-9 5.96E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.332E-7 7.45E-7 0.0000016659999999 0.000003725 0.000008329 0.00001862 0.00004164 0.00009312 513-37-1 10555 144208968 FNS 2,2-Dimethylvinyl chloride C/C(C)=C\Cl Tox21_201770 -NCGC00259724-01 196706906 tox21-ror-cho-viability-p1 set1 4 1.3741117172 -13.506035308 0 -13.506035308 3.9294729863 0.7642858942 0.0155211681 -3.13748044 1.63445798 -4.00738933 -3.68987671 3.7161924 2.42301481 -1.2530613 0.76465449 4.70525903 -11.54416143 -13.27901744 -16.59740338 -6.0144514 -12.59532718 -16.67169609 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.309E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008272 0.0000185 0.00004136 0.00009248 133-18-6 8615 144209373 A A Phenethyl anthranilate Nc2ccccc2C(=O)OCCc1ccccc1 Tox21_202175 -NCGC00258843-01 196706908 tox21-ror-cho-viability-p1 set1 4 -12.78975375 -7.93027047 -12.2748398 -12.2362345 -8.62727645 -9.72971817 -3.62614686 -4.85474175 -4.60198478 -10.75979415 4.89491758 -4.07770903 -17.42249372 -11.72813815 -19.44347809 1.173E-9 2.6229999999E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.3299999999E-7 0.0000016389999999 0.000003665 0.000008195 0.00001833 0.00004098 0.000091629999999 57-63-6 5991 144208489 A A 17alpha-Ethinylestradiol Oc3cc4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@@]1(O)C#C)c4cc3 Tox21_201291 -NCGC00091278-03 196723362 tox21-ror-cho-viability-p1 set3 4 -0.83123 -5.31843283 -1.36307063 -1.07482034 -0.97191045 1.59118272 -1.3459172 -0.3926876 -12.20748555 -5.29234876 -0.39692406 1.50436669 -10.38600227 -4.28061858 4.1318068 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00090952-07 196723348 tox21-ror-cho-viability-p1 set3 2.4 34.9713969285 26.757463804 1.242536196 28 4.5044702849 0.8604955312 0.0016127536 1.16629425 1.90757674 2.14829531 0.96030664 1.49529967 1.40177059 0.86532596 2.35804121 -3.4836757 10.83915298 -2.48817538 -3.96455317 4.29204962 19.75293464 31.27723846 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00159544-03 196723350 tox21-ror-cho-viability-p1 set3 -3 0.1059092946 -37.5309530695 -1 -38.5309530695 4.0949729863 0.9063940665 0.019946312 -1.10795769 -4.01493465 1.89513673 2.33620246 2.20874628 -8.753931 -8.49221229 -33.79908164 5.1965191 -2.75769887 -1.81663097 -2.63919829 -10.02794208 -14.4112416 -24.8487861 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 109826-26-8 65909 170466388 A Zaldaride maleate O=C2Nc1ccccc1N2C3CCN(CC3)CC5(C)OCc6ccccc6n4cccc45 Tox21_111743_1 -NCGC00016069-13 196723357 tox21-ror-cho-viability-p1 set3 4 0.1496008549 15.524428888 -10.524428888 5 4.4494702849 0.4599873692 0.214448649 2.31899595 -1.24802818 1.15772904 -18.68105646 -27.10369074 -5.68490028 -24.53906972 0 7.64087249 5.34001429 4.64357212 3.74915607 2.98148544 3.6546151 7.83961516 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59803-98-4 2435 170464941 A Brimonidine Brc2c3nccnc3ccc2NC1=NCCN1 Tox21_110299_1 -NCGC00260190-01 196723767 tox21-ror-cho-viability-p1 set3 4 70.9679767733 15.3525314 -1.3525314 14 3.6772481694 0.5874952881 0.1071655663 -1.13206797 3.01531557 -6.1271095 -5.9281235 -1.04518934 0.69332688 -3.14028221 -1.39332359 0.37433306 -0.83597331 -0.9332671 0.70171623 1.08061615 0.55348304 10.09743388 1.214E-9 2.7139999999E-9 6.07E-9 1.357E-8 3.035E-8 6.786E-8 1.517E-7 3.393E-7 7.587E-7 0.000001697 0.000003794 0.000008483 0.00001897 0.000042409999999 0.000094839999999 412009-61-1 16217215 144209840 A Ac 1-Ethyl-3-methylimidazolium hydrogen sulfate C[n+]1ccn(CC)c1.[O-]S(=O)(=O)O Tox21_202642 -NCGC00357067-01 196723773 tox21-ror-cho-viability-p1 set3 4 -8.10549094 5.93719098 7.36916279 -2.17875711 -5.51697827 0.97255194 2.54708697 5.1168484 1.7427195 -0.32172898 5.11102084 -1.24618369 2.59377296 4.73955171 9.94033455 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 873-32-5 13391 251919961 A 2-Chlorobenzonitrile N#Cc1ccccc1Cl Tox21_303775 -NCGC00357073-01 196724177 tox21-ror-cho-viability-p1 set3 4 14.575039053 11.4365792879 -1.4365792879 10 1.331 0.3776092622 0.2955979652 -8.28048274 -1.74794294 -3.44219748 -0.47960183 1.95872969 -0.50911627 3.49354254 -1.15727837 -3.86013411 -4.96913297 0.51912385 0.90369657 0.90782246 1.36714834 6.79312035 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 2167-23-9 221260 251919804 F 2,2-Bis(tert-butylperoxy)butane CC(C)(C)OOC(C)(CC)OOC(C)(C)C Tox21_303782 -NCGC00357172-01 196724176 tox21-ror-cho-viability-p1 set3 4 0.47716812 -0.63252974 -3.84700061 -1.96297729 0.59823895 8.02110914 3.01886939 4.81677126 4.18975944 -5.87173866 3.77617524 2.07123688 -1.39798191 -2.24991335 3.36280786 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_52866 40463 251919739 Fns cis-Permethrin in cyclohexane Cl/C(Cl)=C/[C@H]3[C@@H](C(=O)OCc2cccc(Oc1ccccc1)c2)C3(C)C Tox21_303933 -NCGC00166259-02 196698021 tox21-ror-cho-viability-p1 set1 4 1.09667564 5.38003448 0.55619471 0.93894526 -7.13200415 0.88251756 -4.61827298 1.80009013 0.36957295 1.62584092 1.48392217 2.66425662 0.16620745 0.44457912 -0.56843053 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5232-99-5 243274 170466489 A Ethyl 2-cyano-3,3-diphenylacrylate O=C(OCC)C(\C#N)=C(\c1ccccc1)c2ccccc2 Tox21_112378_1 -NCGC00164168-02 196698034 tox21-ror-cho-viability-p1 set1 4 0.62904007 4.81422186 5.43705886 0.81537218 0.08954987 3.25618932 1.62093786 5.42827587 2.99541573 -0.53686974 2.21263685 1.67309828 2.81440467 1.9828332 0.73126452 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00249416-01 196698036 tox21-ror-cho-viability-p1 set1 4 0.18873304 3.29735749 -0.4324289 -6.16692106 4.19828018 2.42266768 0.35240924 -0.0941005 2.59537755 -0.13372808 4.60705342 5.07703431 3.4804464 2.52326409 -0.75124076 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 114856-44-9 3047798 144206753 A D Oberadilol Clc3cc(OCC(O)CNC(C)(C)CNc1ccc(cc1)C2=NNC(=O)CC2C)c(C#N)cc3 Tox21_113202 -NCGC00016715-04 196698043 tox21-ror-cho-viability-p1 set1 4 -0.32894977 -2.83816964 -0.00885579 0.42145601 1.8846068 0.61275489 -0.04413372 -1.838936 -2.27756506 0.78531995 -1.28057953 0.70058057 0.21000777 0.04854088 1.37284639 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15421-84-8 5531 170465770 A Trapidil CCN(CC)c1cc(C)nc2ncnn12 Tox21_110578_1 -NCGC00090698-06 196698013 tox21-ror-cho-viability-p1 set1 4 0.35640112 0.89282147 0.8372821 1.66391292 0.789108 2.72538442 -0.24130259 1.96522692 1.20523435 1.68590853 -0.73532714 2.54392994 2.44560853 1.01587218 -1.14956155 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 102-06-7 7594 170465656 A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_110998_1 -NCGC00271789-02 196698017 tox21-ror-cho-viability-p1 set1 -1.1 0.0595571731 -86.2307607762 3.1256526109 -83.1051081653 2.7867712143 0.9966101492 0 0.47306967 6.63120118 6.41969681 1.15474512 -1.49142988 -10.28297613 -51.65851988 -79.02329966 -81.01938729 -82.10602592 -81.91590199 -87.11227271 -86.34549084 -82.88441624 -80.5243955 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-76-0 457193 170464668 A Actinomycin D CC(C)[C@H]6NC(=O)[C@@H](NC(=O)c1ccc(C)c2OC3=C(C)C(=O)C(N)=C(C3=Nc12)C(=O)N[C@@H]5C(=O)N[C@@H](C(=O)N4CCC[C@H]4C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]5C)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]7CCCN7C6=O Tox21_111997_1 -NCGC00260542-01 196724156 tox21-ror-cho-viability-p1 set3 4 -5.71874253 2.923742 -2.07242975 0.6654669 -0.70217682 0.60773869 -0.96322077 -0.98058824 0.09646196 -1.74863233 0.06441762 -0.78838742 3.10693085 0.26545323 2.66604809 5.869E-11 1.312E-10 2.9349999999E-10 6.562E-10 1.467E-9 3.2809999999E-9 7.3359999999E-9 1.64E-8 3.6679999999E-8 8.2019999999E-8 1.834E-7 4.101E-7 9.171E-7 0.000002051 0.000004585 2437-56-1 17095 144210195 F Fns 1-Tridecene C=CCCCCCCCCCCC Tox21_202997 -NCGC00023100-08 196698000 tox21-ror-cho-viability-p1 set1 4 -0.71814543 -1.45773606 10.19566557 0.26386526 4.58689337 0.31984181 1.36014075 8.24238421 1.12078151 1.56789804 0.30250889 5.56072269 0.72499371 1.56031634 0.69543356 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23930-19-0 104845 170466428 A Alphaxalone CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C Tox21_110884_1 -NCGC00024257-08 196698416 tox21-ror-cho-viability-p1 set1 4 -3.05670136 1.38052012 0.69505809 0.11934353 5.15713691 0.15340693 -0.28218519 2.50645187 0.45438126 0.31861628 -1.94665644 -3.42233233 0.68569341 2.20451777 0.87446754 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61-76-7 5284443 170465356 Z Phenylephrine hydrochloride Cl.O[C@@H](CNC)c1cc(O)ccc1 Tox21_110897_1 -NCGC00344584-01 196698420 tox21-ror-cho-viability-p1 set1 4 -0.54382043 -0.17394366 3.03914515 0.1245688 1.19239674 -0.19038108 -1.71878654 2.1077688 -0.56530811 -2.64283281 -1.3608934 2.4729777 -0.57442529 -0.76549982 -4.11350443 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52-53-9 2520 170464904 A Verapamil COc1cc(ccc1OC)C(C#N)(CCCN(C)CCc2ccc(OC)c(OC)c2)C(C)C Tox21_110300_1 -NCGC00167560-02 196698422 tox21-ror-cho-viability-p1 set1 4 -7.07747072 -6.86251313 -3.34697625 -2.14320857 -3.24837864 -1.99792046 0.42256837 -3.37275736 -3.29644603 -0.09016377 -0.06270765 -0.45849601 -0.06162839 0.09649624 1.02420457 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54-96-6 5918 170466846 Z 3,4-Diaminopyridine Nc1ccncc1N Tox21_112555_1 -NCGC00249896-01 196698435 tox21-ror-cho-viability-p1 set1 4 3.7578035763 -7.0960204919 1.5 -5.5960204919 4.9549173134 0.7178533457 0.0311064407 1.4417554 5.65738352 -2.91370508 0.58313866 1.92206218 1.05019213 0.82132469 0.98479029 2.07697832 0.19771051 2.65425673 -2.97605616 -6.66964131 -3.67219191 -7.16335041 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 90-86-8 5370611 170465535 A A Cinnamedrine OC(C(C)N(C)C/C=C/c1ccccc1)c2ccccc2 Tox21_113672 -NCGC00254295-01 196698850 tox21-ror-cho-viability-p1 set1 -2.1 43.6192046887 -97.9668086521 0.683487475 -97.2833211771 3.6272481694 0.9941100792 0 2.38957933 5.79741003 0.19970884 -0.0586367 0.36259629 0.10644411 0.41454243 -1.18411073 -0.5026651 0.56005957 -0.20934997 1.94193296 0.25283267 -21.04555594 -82.36771522 8.9069999999E-10 1.9919999999E-9 4.453E-9 9.9579999999E-9 2.227E-8 4.979E-8 1.113E-7 2.4899999999E-7 5.5669999999E-7 0.000001245 0.000002783 0.000006224 0.000013919999999 0.00003112 0.00006959 19774-82-4 441325 144210713 A A Amiodarone hydrochloride Cl.CCN(CC)CCOc1c(I)cc(cc1I)C(=O)c2c3ccccc3oc2CCCC Tox21_300395 -NCGC00254164-01 196699248 tox21-ror-cho-viability-p1 set1 4 0.18913579 -0.07995829 -0.07902707 0.32358674 0.87309779 0.68191067 -0.78778223 -1.22104921 0.46440064 -1.52376022 1.9847589 2.08607231 3.13082162 2.74313175 2.29751207 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 90-04-0 7000 144210373 A Ac 2-Anisidine Nc1ccccc1OC Tox21_300053 -NCGC00254359-01 196699249 tox21-ror-cho-viability-p1 set1 4 0.7695882154 -21.9591583 2 -19.9591583 3.1319983358 0.7583393566 0.0170541064 3.25369482 2.06745015 5.93559226 2.70208376 0.3029128 0.6174779 1.3569382 -3.02880419 -4.19253803 -26.07850779 -27.46596525 -25.66506507 -17.20997884 -3.15456365 -19.40088188 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 64-86-8 6167 144210899 A A Colchicine CC(=O)N[C@H]2CCc3cc(OC)c(OC)c(OC)c3C1=CC=C(OC)C(=O)C=C12 Tox21_300582 -NCGC00163815-04 196699257 tox21-ror-cho-viability-p1 set1 -3 73.1481289466 -60.6636118502 0.7665502879 -59.8970615623 4.9549173134 0.9689847385 5.87E-7 1.79172388 -0.85755491 1.18719892 -2.56847793 1.12235041 0.11196592 0.06486471 0.01381068 0.94448714 4.00349588 0.26018877 -1.67216303 0.35824006 2.5420087 -48.33100124 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00259516-01 196708547 tox21-ror-cho-viability-p1 set2 4 3.00951721 1.2181924 2.60736203 -0.33097519 -0.62444333 -0.18911043 1.36710689 2.15049999 1.68566079 0.87063338 3.03008884 1.4860475 2.83325485 3.20971183 -0.82431164 1.1859999999E-9 2.651E-9 5.928E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3139999999E-7 7.409E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009262 112-80-1 445639 144209165 A A Oleic acid O=C(O)CCCCCCC/C=C\CCCCCCCC Tox21_201967 -NCGC00091499-05 196708531 tox21-ror-cho-viability-p1 set2 4 -0.50754737 0.92851501 -0.29743521 -0.14138954 2.95191786 0.33125319 0.41484582 1.11504341 4.08255163 -0.13632807 0.72636372 1.02353899 3.37173436 -4.09979621 -3.67648409 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00259909-01 196708536 tox21-ror-cho-viability-p1 set2 4 3.58668372 3.33090623 6.18396673 1.68785208 1.45394768 1.11906999 5.38647 2.8836628 0.61919689 1.7380948 2.4880721 2.74250755 -0.63242707 -1.268594 -0.55793064 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.00001889 0.00004225 0.00009447 28249-77-6 34192 144209558 A A Thiobencarb Clc1ccc(CSC(=O)N(CC)CC)cc1 Tox21_202360 -NCGC00091146-04 196708947 tox21-ror-cho-viability-p1 set2 4 43.2771256911 -18.22325994 0 -18.22325994 2.4063783767 0.8996995175 0.000331509 -1.03127467 -1.34513178 2.12358486 -0.05885421 1.55633013 1.16889185 -1.61979125 -0.1953848 0.47401163 -1.46017684 -0.29278066 -1.08851051 1.35762136 -9.99154758 -15.18604995 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00091839-03 196708951 tox21-ror-cho-viability-p1 set2 4 34.3762428541 -12.7208009199 -1 -13.7208009199 4.0949729863 0.8158334781 0.0056710721 -1.43976873 -3.75325463 -0.55633208 -2.64285119 0.54804245 -2.27332406 -0.8188636 0.29147224 0.00209709 -4.94878977 2.85817041 0.19277343 -2.62080182 -9.8512645 -14.7673341 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00258868-01 196708956 tox21-ror-cho-viability-p1 set2 4 -9.45651841 -7.99843644 -12.20528462 -11.03431002 -0.03452372 -0.36653072 -6.39563281 -1.78103582 -6.56406265 -7.45160198 -5.8070857 -1.21157622 0.47684149 -7.75923711 -0.5129985 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.586E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009204 693-98-1 12749 144208514 A Fns 2-Methylimidazole Cc1nccn1 Tox21_201316 -NCGC00259364-01 196708961 tox21-ror-cho-viability-p1 set2 4 2.25585669 1.02347887 5.65269094 4.61097398 0.73881565 0.0690121 6.403446 3.13600384 0.26279015 0.21853961 -0.06020206 -1.18763846 0.21043326 3.17325111 1.98385587 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 3778-73-2 3690 144209013 A A Ifosfamide O=P1(NCCCl)OCCCN1CCCl Tox21_201815 -NCGC00256077-01 196710189 tox21-ror-cho-viability-p1 set2 4 0.0017228934 10.28373014 -11.28373014 -1 3.9294729863 0.7002410587 0.0392540915 -9.40310845 -2.76482848 -0.79302222 1.01733478 0.38969806 -3.959801 -1.35063684 -2.69776098 0.98624013 -1.08502458 -0.0313092 -1.34833036 -0.67728672 -0.52402984 -3.35115801 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5344-27-4 72921 144211938 A A 2-(Pyridin-4-yl)ethanol OCCc1ccncc1 Tox21_301621 -NCGC00256114-01 196710192 tox21-ror-cho-viability-p1 set2 4 -4.6852743 0.24325354 -3.76862177 -0.36334388 1.74770806 -0.02991735 1.18195153 -7.16277356 -0.02880476 1.15107563 1.48035452 0.96503777 0.9796785 1.24036072 2.80240267 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-00-5 7116 144211822 A Fc 6-Aminonaphthalene-2-sulfonic acid O=S(=O)(O)c1ccc2cc(N)ccc2c1 Tox21_301505 -NCGC00255400-01 196710203 tox21-ror-cho-viability-p1 set2 4 4.75371445 1.06982444 7.17898288 0.33807475 0.89700553 1.77952962 -0.53367965 -0.41076088 -0.94369505 -0.80079694 -0.83601119 -0.79982195 1.48567191 5.23633821 8.26246634 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13893-53-3 94355 144212513 F 2-Amino-2,3-dimethylbutanenitrile CC(C)C(C)(N)C#N Tox21_302196 -NCGC00256763-01 196707734 tox21-ror-cho-viability-p1 set1 4 0.05080259 0.12426221 0.43305903 -1.70747994 2.94632871 -7.17656988 -2.53408121 0.04889367 5.26588828 0.52924858 7.65286221 5.3484711 -9.74833401 1.34730872 8.14381291 1.095E-9 2.447E-9 5.473E-9 1.2239999999E-8 2.7359999999E-8 6.119E-8 1.368E-7 3.059E-7 6.841E-7 0.00000153 0.00000342 0.0000076479999999 0.0000171 0.00003824 0.00008551 7549-33-9 61417 144212871 D A Anisyl propionate COc1ccc(COC(=O)CC)cc1 Tox21_302554 -NCGC00256805-01 196707321 tox21-ror-cho-viability-p1 set1 4 -2.78812616 4.27117358 1.29499032 4.74945822 0.21074183 -1.72221905 2.64119214 0.27845036 0.79254267 2.26612123 0.38303687 1.32231951 -0.65497038 3.15359288 1.99854992 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 25209-66-9 91333 144212961 A A N,N-Bis(2-hydroxyethyl)formamide O=CN(CCO)CCO Tox21_302644 -NCGC00091009-05 196707324 tox21-ror-cho-viability-p1 set1 4 -7.74307594 -17.09114297 -7.25312518 -11.88422411 -13.54176767 -12.02056382 -19.15997927 -14.78802535 -10.04572407 -7.69006199 -18.96935562 -20.11454707 -19.65127906 -11.04145183 -12.45665369 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.00003772 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00244580-01 196729938 tox21-ror-cho-viability-p1 set3 4 61.130564862 -20.8688981719 1.5 -19.3688981719 3.6772481694 0.9378127051 0.0000278416 1.39904467 0.46650915 1.49013116 2.27865715 -0.29769702 0.87366404 2.09003723 2.30556457 2.16531956 2.75956431 2.58153667 2.25809289 -1.60647751 -1.92201634 -15.72408181 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00257832-01 196729928 tox21-ror-cho-viability-p1 set3 -3 2.475785303 -31.396596604 -1 -32.396596604 4.9549173134 0.9405374042 0.0005809441 1.25498044 -0.66454903 -1.46935541 -3.96853691 -0.25827569 -3.75645711 -0.81985182 -3.05061903 0.67666375 -1.03299316 -30.33049717 -19.60928547 2.04964621 -4.32752261 -2.24412946 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 108-24-7 7918 144207476 A F Acetic anhydride CC(=O)OC(C)=O Tox21_200278 -NCGC00258749-01 196729934 tox21-ror-cho-viability-p1 set3 4 38.6884823325 14.529091736 -3.529091736 11 0.3 0.5907447912 0.1051435197 -3.69446477 -2.58307944 0.21879329 -5.44090978 -0.14767256 -3.78197346 -0.76928427 0.55365696 -2.64220758 4.4513517 1.03510144 0.35246873 2.08840726 1.92472579 7.55128733 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9569999999E-8 6.613E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003697 0.000008266 0.00001848 0.00004133 0.000092409999999 1002-84-2 13849 144208395 A Ac Pentadecanoic acid O=C(O)CCCCCCCCCCCCCC Tox21_201197 -NCGC00257560-01 196729935 tox21-ror-cho-viability-p1 set3 4 -6.63756486 -4.70770605 1.31822859 -4.94133429 -1.32571083 2.08046083 -3.71916799 -19.26927422 -7.82343496 0 -26.81050067 0 -0.57161219 2.6812906 0.18255003 1.1989999999E-9 2.6809999999E-9 5.995E-9 1.34E-8 2.9969999999E-8 6.7019999999E-8 1.4989999999E-7 3.351E-7 7.493E-7 0.000001676 0.000003747 0.000008378 0.00001873 0.00004189 0.00009367 62-50-0 6113 144207204 AC Ethyl methanesulfonate CS(=O)(=O)OCC Tox21_200006 -NCGC00090702-02 196729940 tox21-ror-cho-viability-p1 set3 4 -24.6789106 3.30072887 -20.8353708 -16.00861601 -17.81233523 0 -23.03727657 0 0 0 -13.32609512 -20.42704363 -3.42251245 1.82063985 -3.09829182 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00258417-01 196729943 tox21-ror-cho-viability-p1 set3 4 -1.91496269 0.63604618 0.26926496 -0.76624045 3.53939518 2.80728129 2.1744602 0.60878471 4.08412908 -3.35563863 -0.95209887 -3.32943824 -1.20993586 0.93985936 2.41121248 1.167E-9 2.609E-9 5.8339999999E-9 1.305E-8 2.917E-8 6.523E-8 1.459E-7 3.261E-7 7.2929999999E-7 0.000001631 0.000003646 0.000008153 0.00001823 0.00004077 0.000091159999999 19767-45-4 23662354 144208061 A F Sodium 2-mercaptoethanesulfonate [Na+].[O-]S(=O)(=O)CCS Tox21_200863 -NCGC00090827-04 196730343 tox21-ror-cho-viability-p1 set3 4 0.2182235552 -3.12920206 1.5 -1.62920206 4.9549173134 0.3890875898 0.3039306661 -0.25935865 3.42084483 5.5086447 0.25951293 -1.92311834 1.13556892 2.15411364 -1.91966737 -0.38429899 -2.47877899 -5.52433505 -1.22466652 -0.67760975 -0.2939321 3.97489928 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00094524-09 196698457 tox21-ror-cho-viability-p1 set1 4 37.5780357627 8.561815676 -0.561815676 8 4.9549173134 0.4540042064 0.2253531876 -2.70158333 -5.46817973 0.25207208 2.53462332 0.00891426 -0.59486688 1.88237614 -1.64513584 -2.36061495 -0.77738562 0.08748974 -0.54483165 -0.45255759 -0.53941313 5.9265109 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122-34-9 5216 170466806 A Simazine Clc1nc(NCC)nc(NCC)n1 Tox21_111291_1 -NCGC00182549-02 196698442 tox21-ror-cho-viability-p1 set1 4 -5.06918258 -2.75224914 -7.98973037 1.0466805 -5.42793776 -7.16700542 -2.55094166 -3.93564201 -3.17179599 -1.46307205 -4.99989357 -2.33760758 -1.59484171 0.03924022 -4.11076885 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 599179-03-0 60196343 170466825 I Vicriviroc (SCH-417690) O=C(O)/C=C\C(=O)O.FC(F)(F)c1ccc(cc1)[C@@H](COC)N2CCN(C[C@H]2C)C3(C)CCN(CC3)C(=O)c4c(C)ncnc4C Tox21_113012_1 -NCGC00016530-07 196698448 tox21-ror-cho-viability-p1 set1 4 3.09404146 1.95251883 2.72770401 1.46820192 0.63943762 1.58935467 -0.07158071 0.92839553 0.05895656 -1.50152648 2.43959131 -0.73834003 -3.26783367 -0.86142916 -0.55572258 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 651-06-9 5326 170465428 A Sulfameter O=S(=O)(Nc1ncc(cn1)OC)c2ccc(N)cc2 Tox21_110478_1 -NCGC00166144-03 196698452 tox21-ror-cho-viability-p1 set1 4 1.32269439 -5.88597817 -4.69925279 -6.3180419 -5.99259329 -4.42818352 -3.06245393 -0.97715527 1.7265205 -1.89153596 -1.08447731 1.3797675 0.54095935 -2.05981113 1.13251893 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 502-54-5 3033877 170465212 Ac 2,3-Dihydroxypropyl octanoate OCC(O)COC(=O)CCCCCCC Tox21_112338_1 -NCGC00254184-01 196698854 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -11.419920656 1 -10.419920656 4.9549173134 0.7344433868 0.0253272266 0.16242042 2.66810523 1.36494411 0.98897182 -1.80292637 -1.0918834 -0.10445749 1.58091409 0.88478735 2.00466002 1.83934793 1.05958163 2.55961177 2.51764927 -7.84993388 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-40-7 66166 144210518 A A Bisphenol B Oc1ccc(cc1)C(C)(CC)c2ccc(O)cc2 Tox21_300198 -NCGC00254973-01 196698863 tox21-ror-cho-viability-p1 set1 -1.1 4.3277125691 -81.9184907461 2.488530447 -79.4299602991 2.4063783767 0.9850278984 8.8E-9 2.81234957 5.66654204 1.28345358 1.66153329 -0.17595389 -0.2972896 2.8321744 2.36733777 2.20223378 -1.16207235 -28.38357186 -67.40868039 -77.33433054 -68.63415702 -89.44815349 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21564-17-0 30692 144211389 A A 2-(Thiocyanomethylthio)benzothiazole N#CSCSc1nc2ccccc2s1 Tox21_301072 -NCGC00253936-01 196700052 tox21-ror-cho-viability-p1 set1 4 0.55003858 -0.8059451 -1.73696694 -0.54258135 0.47948254 -1.0402704 -1.37671182 -0.83468028 -3.73931567 -0.04007052 3.7126687 -0.40118564 -1.17181197 -3.40087724 -5.26778057 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1836-75-5 15787 144210596 A A Nitrofen Clc2cc(Cl)ccc2Oc1ccc(cc1)[N+]([O-])=O Tox21_300276 -NCGC00254621-01 196699635 tox21-ror-cho-viability-p1 set1 4 76.8805649772 -17.859028412 1 -16.859028412 4.9549173134 0.6122384293 0.0888502093 3.54211084 2.49461176 3.93479408 3.221841 0.99864401 0.01741698 1.01473158 -2.55621513 4.80140049 -1.97320979 -2.31979952 -4.29360288 -0.09880241 3.68045023 -13.21585701 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 2164-17-2 16562 144211032 A A Fluometuron O=C(Nc1cc(ccc1)C(F)(F)F)N(C)C Tox21_300715 -NCGC00254867-01 196699641 tox21-ror-cho-viability-p1 set1 4 -1.15450161 0.03467197 -2.67862891 0.28657413 -1.46139871 1.92983437 -3.15620341 -4.59555995 0.27471512 0.15888618 0.26619057 -3.86786217 1.56981198 -4.89234469 -4.38710912 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.00009175 4712-55-4 6327546 144211527 A A Diphenyl phosphite O=P(Oc1ccccc1)Oc2ccccc2 Tox21_301210 -NCGC00254365-01 196699642 tox21-ror-cho-viability-p1 set1 4 -1.77157314 -0.57038771 -1.96110993 -2.92069999 0.1042455 0.3511005 -2.79508812 0.28006967 0.30662119 0.57670599 -4.02704332 1.00731771 -0.31126064 -7.02338686 4.83427302 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-66-1 3121 144210920 A A Valproic acid CCCC(CCC)C(=O)O Tox21_300603 -NCGC00254076-01 196700061 tox21-ror-cho-viability-p1 set1 4 1.99855758 4.5154439 0.81303697 0.23822808 -2.59652281 2.83749578 -2.88580476 5.44984213 5.02806479 3.31115405 4.07434047 5.35062358 5.44425565 4.95214949 5.01139619 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-59-8 7057 144210368 A A 2-Naphthylamine Nc1ccc2ccccc2c1 Tox21_300048 -NCGC00254905-01 196700064 tox21-ror-cho-viability-p1 set1 4 1.58523624 -0.0939861 -0.19382132 0.65163275 -5.9972448 1.17652025 -0.50902865 -4.89304091 0.62631126 -9.44886566 0.86540871 0.59560095 -1.83657924 -9.31881859 2.26789808 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23103-98-2 31645 144211320 A A Pirimicarb Cc1nc(nc(OC(=O)N(C)C)c1C)N(C)C Tox21_301003 -NCGC00254820-01 196700065 tox21-ror-cho-viability-p1 set1 4 -4.51316615 -7.70813404 -7.24645756 -18.74233453 -10.05400362 -8.13871302 -3.54732197 -8.69972078 -6.3006883 -5.46199339 -7.88489415 -7.6322457 -5.54861715 -7.89161092 -2.04153721 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 134-62-3 4284 144211234 A A DEET Cc1cccc(c1)C(=O)N(CC)CC Tox21_300917 -NCGC00255674-01 196700474 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -10.58364054 0 -10.58364054 4.9549173134 0.6082501254 0.0929421399 0.00798672 -2.01360249 -4.27295134 -1.67589241 1.47604653 0.3280136 -0.04525938 0.2154628 2.73613586 -0.37874466 3.05183578 1.84388226 0.26912485 -0.31725562 -8.81970045 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13347-42-7 61594 144211545 A B 4-Chloro-2-cyclopentylphenol Clc1ccc(O)c(c1)C2CCCC2 Tox21_301228 -NCGC00256066-01 196700485 tox21-ror-cho-viability-p1 set1 4 -1.08205685 -0.01574375 -1.67850562 -1.92691828 1.33921497 -1.58060051 -3.2496645 -2.03939888 -1.1812597 0.53906783 -6.84865251 -1.80247414 0.51184248 -0.78195571 1.45757354 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 320-72-9 9445 144212013 A F 3,5-Dichlorosalicylic acid Oc1c(cc(Cl)cc1Cl)C(=O)O Tox21_301696 -NCGC00257543-01 196700489 tox21-ror-cho-viability-p1 set1 -2.1 54.4826732819 -115.392931026 0.47196315 -114.920967876 1.6258976909 0.9669585484 8.381E-7 1.26238817 0.31628212 -1.91640892 1.65673974 1.75512874 3.2190292 0.25932439 1.21744802 0.09015745 2.19053822 0.24324307 -9.87929541 -25.06625288 -34.42225313 -87.0613393 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-03-5 31239 144211613 A A Cetylpyridinium chloride [Cl-].CCCCCCCCCCCCCCCC[n+]1ccccc1 Tox21_301296 -NCGC00254892-01 196699672 tox21-ror-cho-viability-p1 set1 -2.2 19.272220481 -50.2147338831 2.0774225274 -48.1373113557 1.2221 0.9649109798 0.0000011774 4.46911459 6.15376346 -3.87754662 -0.95077437 3.13141986 0.81073425 3.09779983 6.27908012 -0.01528889 -2.81570236 -1.20861787 -11.88864672 -21.58520195 -33.58068218 -42.17246933 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 533-74-4 10788 144211307 A A Dazomet S=C1SCN(C)CN1C Tox21_300990 -NCGC00254098-01 196699659 tox21-ror-cho-viability-p1 set1 4 -0.36516321 0.50859384 5.870505 2.29992507 1.90704532 -0.93819011 -1.06414581 1.94129118 1.68893227 1.96840213 2.13612412 -0.193963 0.90547199 -0.68970451 0.42714012 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84-66-2 6781 144210503 A A Diethyl phthalate O=C(OCC)c1ccccc1C(=O)OCC Tox21_300183 -NCGC00254425-01 196699661 tox21-ror-cho-viability-p1 set1 4 -0.82121805 1.28011876 -4.07644396 0.92123975 -0.00152471 1.96155963 3.49757367 1.01576724 1.89739562 1.44897859 -2.44294705 0.09646479 2.22274068 1.16309846 4.76104745 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-87-6 7463 144210656 FC p-Cymene Cc1ccc(cc1)C(C)C Tox21_300338 -NCGC00260658-01 196712226 tox21-ror-cho-viability-p1 set2 4 16.7854920005 -14.4684273279 0 -14.4684273279 2.3331733767 0.5384623044 0.1454045094 0.53222614 -1.03264208 -0.21490786 2.15659278 -1.34878464 2.6672884 -0.98937713 2.53451241 -10.45268265 1.41866046 1.47535643 1.90548276 1.7154762 -13.72368944 -11.00933119 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49554 144210311 M M NTP Mix24 AR2 2-EQP Tox21_203113 -NCGC00260473-01 196711809 tox21-ror-cho-viability-p1 set2 4 -1.0315147 -1.15082049 -1.36373677 -6.22525426 1.1883242 -0.64657641 -0.56769159 -10.198697 -6.7593811 -10.67297435 1.59810375 -7.98847628 2.02007852 -14.8439371 12.71940948 1.2049999999E-9 2.695E-9 6.0249999999E-9 1.347E-8 3.013E-8 6.736E-8 1.506E-7 3.368E-7 7.5309999999E-7 0.0000016839999999 0.000003766 0.0000084199999999 0.000018829999999 0.0000421 0.000094139999999 544-16-1 10996 144210125 F N-Butylnitrite CCCCON=O Tox21_202927 -NCGC00260050-01 196711812 tox21-ror-cho-viability-p1 set2 4 -0.99001537 -5.92215353 -6.99072794 -7.94623953 -16.94036991 -18.79785224 0 -1.16043588 -14.0167532 -17.99977736 -6.22159073 0 0 -15.38110489 -8.2099762 1.1859999999E-9 2.651E-9 5.928E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009262 10026-24-1 61444 144209699 Cobalt sulfate heptahydrate O.O.O.O.[Co+2].O.O.O.[O-]S([O-])(=O)=O Tox21_202501 -NCGC00357138-01 196711817 tox21-ror-cho-viability-p1 set2 4 -0.64977146 1.76754879 2.19469515 0.25071297 -0.52509598 6.13060624 3.94368765 6.02684188 -0.64172526 2.32781945 3.7967722 4.56535917 6.66517566 5.02888122 7.53419948 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-77-3 6555 251919948 F 1-Bromo-2-methylpropane CC(C)CBr Tox21_303878 -NCGC00256047-01 196710995 tox21-ror-cho-viability-p1 set2 4 -8.09429808 -0.12853565 -1.53731837 -0.38027425 -2.94025067 -1.92763501 -1.30141466 -0.96500444 0.53519518 -1.84867537 -0.19210518 -1.10924486 -2.31553815 -4.37809384 -5.1583648 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-16-8 66571 144211769 A A 4-(2,5-Diethoxy-4-nitrophenyl)morpholine [O-][N+](=O)c1cc(OCC)c(cc1OCC)N2CCOCC2 Tox21_301452 -NCGC00256104-01 196710581 tox21-ror-cho-viability-p1 set2 4 61.130564862 12.9650545839 -1.9650545839 11 0.8999999999 0.6181656439 0.0857148543 -3.59746188 -0.93943179 0.29314498 -4.171082 -1.71275204 -2.2944557 -4.1993895 -4.97087882 1.04744566 -0.53476186 0.78967065 1.17781111 -0.49206028 1.30903733 7.9325071 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15332-99-7 84872 144212076 F Fns Ethenyl[tris(prop-1-en-2-yloxy)]silane CC(=C)O[Si](OC(=C)C)(OC(C)=C)C=C Tox21_301759 -NCGC00159417-06 196710599 tox21-ror-cho-viability-p1 set2 -2.2 62.5631710251 -75.1760718234 -0.3537988829 -75.5298707063 2.3031167061 0.9888647945 1.6E-9 -0.28645149 1.22614731 -0.27389955 0.70963133 0.3922025 0.7294859 1.31838981 -2.58945697 -1.47310608 0.10537173 -0.01499942 -2.31127858 -8.14213211 -20.9410555 -57.21959902 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00255743-01 196710603 tox21-ror-cho-viability-p1 set2 4 -5.34911393 -0.44435701 -3.52437323 -0.41041311 -3.83185628 -1.8372775 1.69460114 -2.74481415 -0.37246547 -2.7174555 1.88454923 -3.51911558 0.10279945 1.57284964 -1.01446679 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 682-01-9 69627 144211762 A F Tetrapropyl orthosilicate CCCO[Si](OCCC)(OCCC)OCCC Tox21_301445 -NCGC00090698-04 196710998 tox21-ror-cho-viability-p1 set2 4 0.04299773 -0.33461254 -2.34337666 -1.75806611 1.41894041 -0.42725518 -2.91442482 -2.03676024 0.41376846 -0.50581134 -1.17003739 -0.25166909 0.71751205 -1.14305384 2.02264014 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00255305-01 196711012 tox21-ror-cho-viability-p1 set2 4 2.31856006 1.44910823 3.44209921 1.0102622 7.01347221 2.69478 -0.62191623 0.46994152 -0.44543174 0.47877528 0.66389829 0.85787475 2.04493595 1.06009352 4.25461714 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-77-3 2717 144212514 A A Chlormezanone O=C1CCS(=O)(=O)C(N1C)c2ccc(Cl)cc2 Tox21_302197 -NCGC00256180-01 196711018 tox21-ror-cho-viability-p1 set2 -2.2 54.4826732819 -79.6533266036 0.9680036589 -78.6853229447 1.752947691 0.9577776206 0.0000033104 0.02600556 -0.54153766 5.70987027 1.91561205 2.85568534 2.9397323 -0.23037327 1.29300947 1.57314613 1.87499473 -2.47436206 -8.29128792 -12.8273839 -22.1859053 -59.61009314 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1565-94-2 15284 144212000 A Bisphenol A glycidyl methacrylate C=C(C)C(=O)OCC(O)COc1ccc(cc1)C(C)(C)c2ccc(OCC(O)COC(=O)C(=C)C)cc2 Tox21_301683 -NCGC00357183-01 196711414 tox21-ror-cho-viability-p1 set2 4 0.0172289341 4.5 2 6.5 1.4641 0.4211949304 0.2559057746 0.96468463 4.89928738 0.73472849 2.45044947 7.13402373 6.20901767 4.64982962 10.86875757 6.19918352 8.9909433 5.02010569 4.6323667 7.5751086 3.90707047 5.47360565 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76-83-5 6456 251919944 A Trityl chloride ClC(c1ccccc1)(c2ccccc2)c3ccccc3 Tox21_303949 -NCGC00260292-01 196711417 tox21-ror-cho-viability-p1 set2 4 -5.35377492 -4.04061508 -16.03375098 -13.84379356 -16.9915703 -6.57488824 -4.25597167 -8.56392754 -14.81671287 0 -3.30499114 -1.48219071 -12.53591318 -4.02925839 -15.72748555 2.8449999999E-10 6.361E-10 1.422E-9 3.1809999999E-9 7.112E-9 1.59E-8 3.556E-8 7.9519999999E-8 1.778E-7 3.976E-7 8.89E-7 0.000001988 0.000004445 0.00000994 0.00002223 142-77-8 5354342 144209942 Fns 9-Octadecenoic acid (9Z)-, butyl ester O=C(CCCCCCC/C=C\CCCCCCCC)OCCCC Tox21_202744 -NCGC00095042-06 196725624 tox21-ror-cho-viability-p1 set3 4 0.0102130555 -7.3847651121 8 0.6152348879 1.0999999999 0.5608708022 0.128736664 8.4235389 4.96638113 4.89740196 5.22232351 3.16672402 -0.07234622 -2.29511493 2.13773593 1.5005405 -3.23730426 0.65993939 -0.16461556 1.4336674 5.09148751 1.81330497 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00164245-03 196725628 tox21-ror-cho-viability-p1 set3 1.4 6.6824247267 25.6784791079 -0.1784791079 25.5 2.4063783767 0.937243918 0.0000288302 -2.64873259 0.03533703 -0.39263758 -0.87006062 -1.07037345 3.21581306 0.27401001 -1.1331777 1.70439446 -2.37499618 4.48991644 4.39342972 17.27170869 28.63384277 21.44913864 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7281-04-1 23705 170466126 A Benzyldodecyldimethylammonium bromide [Br-].C[N+](C)(Cc1ccccc1)CCCCCCCCCCCC Tox21_113091_1 -NCGC00256915-01 196726437 tox21-ror-cho-viability-p1 set3 4 6.63219065 2.13574441 4.59536086 0.20520161 -9.70606965 0.01908718 1.94078938 0.82963342 2.31048819 -0.08185849 0.4418289 0.47424587 1.41386332 2.09369411 -1.07443436 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 0.000091709999999 99-49-0 7439 144212864 A F dl-Carvone CC1=CCC(CC1=O)C(C)=C Tox21_302547 -NCGC00256912-01 196726453 tox21-ror-cho-viability-p1 set3 4 3.39137978 3.39491015 -1.77980991 1.50096103 4.03940716 1.65543957 -1.88606438 2.66867863 -0.55565331 0.87190948 4.84676607 0.18868848 4.78432349 -2.42616051 3.95835459 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22629-49-8 90818 144212807 A I Tridec-2-enenitrile CCCCCCCCCCC=CC#N Tox21_302490 -NCGC00256361-01 196726454 tox21-ror-cho-viability-p1 set3 4 -10.7434237 -13.81056362 -9.72605178 0 0 0 0 0 0 0 -13.50902293 -13.18732018 -3.04467 -2.12943974 -5.07543993 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52214-84-3 2763 144213157 A A Ciprofibrate ClC2(Cl)CC2c1ccc(OC(C)(C)C(=O)O)cc1 Tox21_302840 -NCGC00257002-01 196726859 tox21-ror-cho-viability-p1 set3 4 -5.71709579 -4.07075534 -5.01365841 2.34401227 -3.35014922 -5.67499802 -7.12451472 0 0 0 0 -7.02607685 1.10553311 -0.23903504 -8.60685438 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1241-94-7 14716 144213630 A A 2-Ethylhexyl diphenyl phosphate CCC(CCCC)COP(=O)(Oc1ccccc1)Oc2ccccc2 Tox21_303313 -NCGC00256655-01 196727281 tox21-ror-cho-viability-p1 set3 4 -3.80098172 0.31186112 2.70000525 -3.60200768 -0.90280579 -4.27790268 -4.54633595 -15.84335001 -20.8248453 0 0 -5.75952807 -5.17002881 0.93548741 -5.99907879 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 162881-26-7 164512 144213007 F Ac (Phenylphosphoryl)bis[(2,4,6-trimethylphenyl)methanone] O=P(C(=O)c1c(C)cc(C)cc1C)(C(=O)c2c(C)cc(C)cc2C)c3ccccc3 Tox21_302690 -NCGC00257424-01 196727287 tox21-ror-cho-viability-p1 set3 4 -0.60583421 -3.94602802 -5.08239899 -5.05296369 -6.86067903 -5.76033707 0.11861764 0.65818871 -3.92381892 -5.2870436 -0.53263234 -0.91869523 0.33677366 -3.47541374 -7.25701633 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 143-74-8 4766 144213875 A C Phenol red Oc1ccc(cc1)C3(OS(=O)(=O)c2ccccc23)c4ccc(O)cc4 Tox21_303570 -NCGC00256966-01 196727693 tox21-ror-cho-viability-p1 set3 4 -4.78131522 -7.44518945 -7.71572634 -7.40552831 -9.97359782 2.41930433 -6.93274687 2.68158748 -0.75071978 1.17068233 -16.3289317 4.74690602 -6.75360565 -6.36551043 -2.81620482 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-82-8 8344 144213350 A A Di(2-methoxyethyl) phthalate O=C(OCCOC)c1ccccc1C(=O)OCCOC Tox21_303033 -NCGC00256707-01 196727698 tox21-ror-cho-viability-p1 set3 4 0.58842754 -0.30672186 -0.54657091 0.9993173 5.21454918 0.69334236 -0.40212045 5.24214073 -20.279816 -19.49571584 -1.79531469 3.49785233 4.87709177 4.61073885 0.48984097 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14952-06-8 5368076 144212899 A F Methyl (2E)-non-2-enoate O=C(\C=C\CCCCCC)OC Tox21_302582 -NCGC00256926-01 196727702 tox21-ror-cho-viability-p1 set3 4 11.26844984 4.81150008 3.43838826 0.45742559 2.62261623 1.22700672 -2.70358221 1.49717053 -2.09445339 -2.65206838 -4.32927703 10.61757051 0.20844741 6.24447294 11.70798517 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-42-6 7016 144213045 A Ac 1,1'-Bi(cyclohexyl)-2-one O=C1CCCCC1C2CCCCC2 Tox21_302728 -NCGC00256852-01 196727705 tox21-ror-cho-viability-p1 set3 4 1.44650091 1.12618908 0.59392271 0.35875515 -0.51512693 -0.54571805 -0.765835 2.51892312 0.23077796 2.03541648 -0.7424941 0.78514318 -0.45536635 0.63353834 -0.58648268 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.962E-8 6.622E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 867-81-2 23679004 144212804 A A Sodium pantothenate [Na+].CC(C)(CO)[C@@H](O)C(=O)NCCC([O-])=O Tox21_302487 -NCGC00090827-04 196704590 tox21-ror-cho-viability-p1 set1 4 2.7306522 0.19933605 2.97033885 1.61818604 2.75364814 -1.38755376 0.77762597 0.31011012 6.11769697 0.46030769 -2.85874434 0.07245308 6.49801595 2.36018909 6.4984904 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00165865-02 196704591 tox21-ror-cho-viability-p1 set1 -1.1 9.4391758155 -90.3735948502 1.400112622 -88.9734822282 3.9899729863 0.9878826854 2.6E-9 -1.12315184 2.02618255 6.66806833 2.09609598 3.3075631 -6.50178096 1.82831108 3.84347568 3.42442484 -2.87449845 1.66963249 -3.13155945 -36.93849539 -89.33080545 -87.111165 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26864-56-2 33630 170466197 A Penfluridol FC(F)(F)c1cc(ccc1Cl)C4(O)CCN(CCCC(c2ccc(F)cc2)c3ccc(F)cc3)CC4 Tox21_113546_1 -NCGC00253671-01 196704577 tox21-ror-cho-viability-p1 set1 4 16.7854920005 11.3172132521 0.6827867479 12 1.0999999999 0.5146647548 0.1859734538 2.27431922 0.59689476 1.6946495 -0.51459049 1.65944659 -3.59767771 -0.55112594 3.34607767 3.35739356 0.80265558 1.80409398 2.52135292 2.5645756 8.35609897 0.22418793 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16883-16-2 85624 170466720 F F Pmic chloride ClC(=O)c2c(C)onc2c1ccccc1 Tox21_113795 -NCGC00247721-01 196704578 tox21-ror-cho-viability-p1 set1 4 -2.55976353 0.77329531 -2.06874714 0.84065643 -2.56039481 3.97602995 0.25021314 -2.51158656 -3.24507097 -1.31849113 -1.03397322 -1.50389042 -0.48028581 -2.76081793 1.40138364 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 509-60-4 5359421 144206439 A A Dihydromorphine Oc1ccc2C[C@H]4N(C)CC[C@@]35[C@@H](Oc1c23)[C@@H](O)CC[C@@H]45 Tox21_112886 -NCGC00090749-12 196704595 tox21-ror-cho-viability-p1 set1 4 23.7101376556 -17.047672732 -2 -19.047672732 1.6266150999 0.7633709062 0.01592292 -2.49652705 -3.46126128 -6.6654036 1.11616499 0.97692949 -0.69659661 -1.83068015 -2.82423214 -3.85387784 -2.35406407 -2.65828909 -0.20694747 -3.45859891 -10.7619898 -14.62306061 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6898-97-1 3054 170464803 A Diethylstilbestrol Oc1ccc(cc1)C(CC)=C(CC)c2ccc(O)cc2 Tox21_111005_1 -NCGC00160162-04 196704988 tox21-ror-cho-viability-p1 set1 4 -1.82252455 -0.19313433 -4.55303842 0.07651621 0.2036119 -0.51601796 -5.0026277 -4.34363279 -2.79393196 -4.03845569 0.36450794 0.49209921 0.61137555 3.67021645 0.12092144 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 539-15-1 68313 170466820 Z Hordenine Oc1ccc(CCN(C)C)cc1 Tox21_111748_1 -NCGC00090972-03 196704991 tox21-ror-cho-viability-p1 set1 4 -4.60537448 -1.49776344 -1.1038332 -0.91403624 0.52204034 -7.02865555 1.37366276 -1.64564909 -4.68322864 -0.42486967 -1.87444855 -0.42735088 -0.38698764 -1.90842135 -0.00232577 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-21-5 612 170466852 Fc Lactic acid O=C(O)C(C)O Tox21_111049_1 -NCGC00091483-03 196704994 tox21-ror-cho-viability-p1 set1 -3 61.130564862 -38.6958911 0 -38.6958911 3.6272481694 0.9082510995 0.0002092481 3.00863879 -1.13298397 3.74603687 2.28421383 -2.87861095 -2.13774986 0.53522212 4.27964007 -0.85452434 0.41916556 -1.2430623 -5.66737701 -1.416175 -6.83195884 -31.82990925 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00090773-04 196704995 tox21-ror-cho-viability-p1 set1 4 3.59055696 -1.53879654 0.01695396 -0.33979637 -0.89587854 -0.26156527 4.0787111 7.10002649 -0.63053899 1.94471704 2.96282486 5.20976021 -0.19629939 0.02531972 -3.11767943 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00091151-04 196705003 tox21-ror-cho-viability-p1 set1 4 0.26603212 7.2794017639 -0.2794017639 7 4.9549173134 0.7250264126 0.0281700596 0.84627697 0.85541379 -1.89950147 -0.69615913 1.33628365 1.46948996 -1.03321323 -1.34922252 6.33041442 4.81667077 7.89816977 8.72911613 1.28328612 9.19156847 9.32918981 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122-59-8 19188 170465537 Ac Phenoxyacetic acid O=C(O)COc1ccccc1 Tox21_111092_1 -NCGC00095112-05 196705415 tox21-ror-cho-viability-p1 set1 4 0.53241001 1.13124643 -2.05794835 -3.06326658 -6.58422484 -0.68995307 -2.63298762 -2.36073596 0.36752812 -0.35308717 -5.67389831 -13.70743711 -0.51963514 -1.09052607 -0.31371489 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 70356-09-1 51040 170464749 F Avobenzone COc1ccc(cc1)C(=O)CC(=O)c2ccc(cc2)C(C)(C)C Tox21_111427_1 -NCGC00168266-02 196705420 tox21-ror-cho-viability-p1 set1 4 0.24613415 2.80950543 -2.93698336 -5.0655564 -0.71386153 -1.31762553 -2.19280739 -3.48911871 -1.24215388 3.80238659 0.7061946 -3.13146284 -0.49794115 2.24859077 3.30778015 1.4009999999E-9 3.133E-9 7.005E-9 1.566E-8 3.502E-8 7.831E-8 1.751E-7 3.916E-7 8.756E-7 0.0000019579999999 0.000004378 0.0000097889999999 0.00002189 0.00004895 0.0001094 64057-70-1 71285 144206442 A A 1-(1,3-Benzodioxol-5-yl)-N-methylpropan-2-amine hydrochloride Cl.CC(NC)Cc1ccc2OCOc2c1 Tox21_112889 -NCGC00263949-02 196705424 tox21-ror-cho-viability-p1 set1 4 0 2.1803917 1.72436361 1.49493222 2.58394514 -0.09427064 4.78743758 -0.20611311 2.0916428 -3.33520375 -0.45753861 -0.27847377 2.01772483 3.70415639 5.06903176 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59703-84-3 60196356 170465380 B Piperacillin sodium salt [Na+].O=C([O-])[C@H]3N4C(=O)[C@@H](NC(=O)[C@H](NC(=O)N1CCN(CC)C(=O)C1=O)c2ccccc2)[C@H]4SC3(C)C Tox21_113405_1 -NCGC00094916-06 196697647 tox21-ror-cho-viability-p1 set1 4 4.07217625 7.57777443 1.11581202 -0.7908005 5.2469164 4.82918865 2.4665594 6.21118764 2.04449596 -2.08386113 0.25441521 -0.27981444 0.03278218 -1.28678828 -1.21161314 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 40828-46-4 5359 170465412 A Suprofen O=C(c1ccc(cc1)C(C)C(=O)O)c2cccs2 Tox21_110643_1 -NCGC00164541-03 196697639 tox21-ror-cho-viability-p1 set1 4 0.0391694 4.99502556 -0.72458053 0.41570365 0.35145838 -0.00701987 -0.37631122 3.38470436 -0.39682017 -0.225895 0.05633029 2.82351999 0.04178431 4.01555853 3.58714874 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 547-44-4 11033 170466277 A Sulfacarbamide Nc1ccc(cc1)S(=O)(=O)NC(N)=O Tox21_112170_1 -NCGC00162149-07 196697642 tox21-ror-cho-viability-p1 set1 4 9.4391758155 -8.507165356 0.5 -8.007165356 1.5094870999 0.5749982273 0.11695847 -0.47079859 -0.66132189 0.17844111 1.02655548 -0.53411311 -0.15279661 -0.8257632 5.82957694 0.4319643 5.0923488 -3.2276111 -2.48522395 -1.58141948 -7.50597113 -6.80781626 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64-73-3 54686764 170465205 I Demeclocycline hydrochloride Cl.NC(=O)C=2C(=O)[C@@]3(O)C(O)=C4C(=O)c1c(c(Cl)ccc1O)[C@@H](O)[C@H]4C[C@H]3[C@@H](C=2O)N(C)C Tox21_110354_1 -NCGC00018158-09 196697645 tox21-ror-cho-viability-p1 set1 4 1.28292144 2.83540553 0.79707235 1.33207242 2.42110921 1.2566419 0.43425163 0.75457279 3.72312739 -1.84555245 2.25517368 -1.3826483 2.11154661 2.24260288 -2.82645008 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77883-43-3 62978 170465395 A Doxazosin mesylate CS(=O)(=O)O.COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)C4COc5ccccc5O4 Tox21_110796_1 -NCGC00167447-02 196698053 tox21-ror-cho-viability-p1 set1 -3 33.4914596268 -56.3472629727 0.376798432 -55.9704645407 4.9549173134 0.9539196731 0.0000053742 -2.67938234 0.47023851 -0.43769503 -1.48836193 0.17712777 0.24563672 -1.10734 -0.04977777 0.19026796 -0.79443796 -2.43936569 3.86784638 7.13511696 -0.22730178 -49.09689872 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-58-5 4963 170465884 A Prosultiamine Nc1nc(C)ncc1CN(C=O)C(C)=C(CCO)SSCCC Tox21_112451_1 -NCGC00263580-01 196698056 tox21-ror-cho-viability-p1 set1 4 -1.7934422 0.49677408 -3.31641518 -3.27347204 0.1369276 0.69403108 -1.41846709 -3.21835299 -0.10811016 -4.12189769 -5.95268802 -4.0719503 -2.25664875 -1.81687579 -3.36985299 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 152946-68-4 108188 170465591 A Nolatrexed dihydrochloride Cl.Cl.NC3=Nc2ccc(C)c(Sc1ccncc1)c2C(=O)N3 Tox21_112673_1 -NCGC00015970-11 196698063 tox21-ror-cho-viability-p1 set1 4 0.16785492 4.5829669639 -5.0829669639 -0.5 1.4641 0.4115325431 0.2635075607 -0.34425882 -2.64114242 -7.64807198 -7.92400575 -5.28151937 -4.23864788 -8.40247247 0.18805604 -0.19982823 -2.57879055 -2.85561903 -2.08198693 1.97783656 0.04927371 0.80352103 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 38194-50-2 1548887 170464648 A Sulindac CS(=O)c1ccc(cc1)/C=C3\c2ccc(F)cc2C(CC(=O)O)=C3C Tox21_110270_1 -NCGC00263573-01 196698469 tox21-ror-cho-viability-p1 set1 4 -5.3840135 -4.08747971 -1.02396845 1.23979277 1.73367137 -7.42508401 -5.41565358 -7.26320892 -6.27941654 1.45210853 -5.88207369 -7.27838418 -0.39621098 0.49736947 3.14544856 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62288-83-9 16051969 170465177 A Desmopressin acetate CC(=O)O.NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]4CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N4 Tox21_112740_1 -NCGC00091595-07 196698471 tox21-ror-cho-viability-p1 set1 4 0.04687399 -5.43517697 -0.27416245 -9.26013093 -4.81079797 0.1526484 -2.60670595 0.23015884 -0.59974582 -2.577341 -4.1079258 -3.0364251 0.36977982 -8.4635879 -9.00825405 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6152-33-6 517383 170465724 F Sodium 2-phenylphenate tetrahydrate [Na+].O.O.O.O.[O-]c2ccccc2c1ccccc1 Tox21_112097_1 -NCGC00254015-01 196714295 tox21-ror-cho-viability-p1 set2 4 -4.81463585 -1.37458053 -4.64241319 -2.85077531 -4.66959459 -8.65806858 -6.71183412 -11.63317516 -7.77549872 -0.77365503 -5.4435968 -2.79710719 -8.94547134 -1.92205008 0.9718041 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4180-23-8 637563 144210452 C (E)-Anethole COc1ccc(/C=C/C)cc1 Tox21_300132 -NCGC00254159-01 196714271 tox21-ror-cho-viability-p1 set2 4 1.99048271 0.30977034 2.36582414 0.6802612 1.71180266 2.07861826 1.68759838 0.880638 1.14109983 1.77764387 -0.41514193 5.61443949 5.65512004 7.45675137 4.71203327 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-55-6 1030 144210326 A A 1,2-Propylene glycol CC(O)CO Tox21_300006 -NCGC00254768-01 196714283 tox21-ror-cho-viability-p1 set2 4 0.09728468 -0.19303687 1.71638459 0.54104086 0.93133723 1.20332073 3.19525315 0.25155227 1.84536441 2.77661972 -0.04818734 0.33174039 2.51386009 0.47594321 -0.36363072 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135158-54-2 86412 144211181 A A Acibenzolar-S-methyl O=C(SC)c1cccc2nnsc12 Tox21_300864 -NCGC00254104-01 196714284 tox21-ror-cho-viability-p1 set2 4 -0.47518194 1.06558256 0.95392682 -0.09686601 -1.34445873 1.62568886 -0.2691407 1.12527708 1.55635636 3.23065748 3.92501559 5.21222893 8.26172987 1.92651161 5.86330909 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-36-8 4133 144210457 A Ac Methyl salicylate Oc1ccccc1C(=O)OC Tox21_300137 -NCGC00258082-01 196715488 tox21-ror-cho-viability-p1 set2 4 -1.9977661 -1.92332118 -1.2454397 -1.58290141 0.46212764 0.85776419 -0.83616054 0.15599343 -1.26724262 -0.87679057 -0.83404697 5.58607174 1.19997999 5.56493449 0.95439918 1.203E-9 2.6889999999E-9 6.013E-9 1.344E-8 3.006E-8 6.722E-8 1.503E-7 3.361E-7 7.516E-7 0.0000016809999999 0.000003758 0.000008403 0.000018789999999 0.00004202 0.00009395 625-28-5 12244 144207726 AC F Isovaleronitrile CC(C)CC#N Tox21_200528 -NCGC00258450-01 196715480 tox21-ror-cho-viability-p1 set2 -2.4 77.1936708215 -34.250931568 0.5 -33.750931568 4.9549173134 0.8063153828 0.0069610044 0.47812308 4.86924624 -6.52185489 -1.38179124 5.48328169 -0.18951721 -0.71767647 -0.96059677 -0.82142489 -1.2034969 -0.81812921 1.08998614 -1.10058911 5.11391922 -26.45910964 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3069999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.000008269 0.000018489999999 0.00004134 0.00009245 302-95-4 23668196 144208094 A A Sodium deoxycholate [Na+].[O-]C(=O)CC[C@@H](C)[C@H]2CC[C@H]1[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]12C Tox21_200896 -NCGC00258330-01 196715486 tox21-ror-cho-viability-p1 set2 4 1.43320645 0.20080643 2.33624734 0.51142044 -0.0661457 2.07072756 0.12095241 0.36505362 0.84791561 0.82385516 0.32860628 1.19335438 -1.81380296 -0.0105298 -1.04170921 1.1919999999E-9 2.6649999999E-9 5.959E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.331E-7 7.449E-7 0.0000016659999999 0.000003725 0.0000083279999999 0.00001862 0.00004164 0.00009312 99-12-7 7426 144207974 A A 1,3-Dimethyl-5-nitrobenzene Cc1cc(C)cc(c1)[N+](=O)[O-] Tox21_200776 -NCGC00258261-01 196715883 tox21-ror-cho-viability-p1 set2 4 -0.46025708 -0.06090298 -1.48830603 -3.37555642 0.36225713 -1.83918265 2.34245988 3.87085805 0.20831746 3.05409581 -3.17934141 0.39527908 -0.14393893 2.47355646 0.5990382 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.397E-7 0.0000016539999999 0.0000036989999999 0.0000082699999999 0.000018489999999 0.00004135 0.00009247 646-14-0 12589 144207905 A A 1-Nitrohexane [O-][N+](=O)CCCCCC Tox21_200707 -NCGC00258717-01 196716300 tox21-ror-cho-viability-p1 set2 4 38.4139340205 17.002597788 -1.002597788 16 2.3331733767 0.8894788379 0.0005355123 -2.91883149 -2.68887914 -2.65566056 -1.69084763 -1.14824103 -0.02022462 -2.45759258 -0.95255989 3.0072679 1.03606305 -0.85619948 -1.84814105 1.10769503 8.52386149 14.20783586 1.1759999999E-9 2.63E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.576E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.00000822 0.000018379999999 0.0000411 0.0000919 520-18-3 5280863 144208363 A A Kaempferol Oc1ccc(cc1)C=3Oc2cc(O)cc(O)c2C(=O)C=3O Tox21_201165 -NCGC00258231-01 196716309 tox21-ror-cho-viability-p1 set2 4 1.54580408 0.2554331 -2.50891817 -1.46008044 -4.69768239 -0.62073957 -3.37979756 0.59301783 -3.77860964 -1.91499487 1.30641518 1.32580046 -8.67335212 -1.41412712 -2.03775469 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 96-22-0 7288 144207875 FNS 3-Pentanone CCC(=O)CC Tox21_200677 -NCGC00258067-01 196716310 tox21-ror-cho-viability-p1 set2 -3 27.3060203028 -57.4806117774 4.4667374115 -53.0138743659 4.9549173134 0.9125991069 0.0003118583 3.90608336 1.60377111 5.83218167 1.20058846 2.26467071 2.15902954 2.07087749 4.75410396 -0.86318426 2.06757046 7.96188795 14.70948117 2.18677129 -55.9557706 4.4641294 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 952-23-8 197873 144207711 A A Proflavin hydrochloride Cl.Nc1cc2nc3cc(N)ccc3cc2cc1 Tox21_200513 -NCGC00257674-01 196716319 tox21-ror-cho-viability-p1 set2 4 -4.39177808 0.72789052 1.02159791 -0.62736787 4.7144922 -6.06162394 2.9754742 -0.05860161 0.27067696 1.258901 0.13908077 0.9536523 0.09801215 0.0041401 0.39480149 1.167E-9 2.61E-9 5.836E-9 1.305E-8 2.918E-8 6.525E-8 1.459E-7 3.2629999999E-7 7.295E-7 0.000001631 0.000003648 0.000008157 0.000018239999999 0.00004078 0.00009119 120-57-0 8438 144207318 A A Piperonal O=Cc1ccc2OCOc2c1 Tox21_200120 -NCGC00016397-04 196716734 tox21-ror-cho-viability-p1 set2 4 0.1059092946 12.214673072 -11.214673072 1 0.8999999999 0.9121424223 0.0001691999 -8.90674253 -11.02229583 -13.51222756 -8.34591334 -11.63199455 -7.58885852 -4.38818435 -5.5330885 -0.72082528 -1.12477845 -0.25344733 0.23819505 0.23663683 0.45446004 3.21661549 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 132-69-4 65464 170465576 A Benzydamine hydrochloride Cl.CN(C)CCCOc3nn(Cc1ccccc1)c2ccccc23 Tox21_110420_1 -NCGC00258607-01 196730053 tox21-ror-cho-viability-p1 set3 4 -0.41346128 0.92642043 -3.33738727 -2.81684027 1.70617689 0.77655698 -0.25777395 0.02789674 0.45818568 4.86317907 0.53988144 1.07817279 2.21279864 1.24587403 0.42099416 1.188E-9 2.657E-9 5.942E-9 1.3289999999E-8 2.971E-8 6.6429999999E-8 1.4849999999E-7 3.3219999999E-7 7.427E-7 0.0000016609999999 0.000003714 0.000008304 0.00001857 0.00004152 0.00009284 462-06-6 10008 144208252 FNS Fluorobenzene Fc1ccccc1 Tox21_201054 -NCGC00257837-01 196730038 tox21-ror-cho-viability-p1 set3 4 9.5311120753 7.82315854 -1.82315854 6 3.9899729863 0.4529806302 0.239912964 0.01582221 -3.03439536 -4.43596545 -1.09434494 -2.81106697 -3.78529195 -0.40690226 1.18994862 1.75469161 -2.20970986 -3.00425167 -1.1500032 12.38364633 0.71194833 1.10100118 1.164E-9 2.603E-9 5.821E-9 1.302E-8 2.91E-8 6.508E-8 1.4549999999E-7 3.254E-7 7.276E-7 0.0000016269999999 0.0000036379999999 0.000008135 0.00001819 0.00004067 0.00009095 1116-54-7 14223 144207481 A A N-Nitrosodiethanolamine OCCN(N=O)CCO Tox21_200283 -NCGC00258496-01 196730040 tox21-ror-cho-viability-p1 set3 4 -2.98586648 -0.88255675 0.74921175 1.22316037 -0.56065362 -4.23340138 -0.2455212 -24.94709547 -7.12469064 -13.14340062 0 0 -11.93959693 -1.70806052 -2.83632453 1.214E-9 2.7139999999E-9 6.07E-9 1.357E-8 3.035E-8 6.786E-8 1.517E-7 3.393E-7 7.587E-7 0.000001697 0.000003794 0.000008483 0.00001897 0.000042409999999 0.000094839999999 110-88-3 8081 144208140 A Ac 1,3,5-Trioxane C1OCOCO1 Tox21_200942 -NCGC00257926-01 196730042 tox21-ror-cho-viability-p1 set3 4 -0.10311386 1.03312859 1.0606596 -0.49932734 -1.61724428 -2.13946867 -2.57343813 0.69058606 2.85364971 2.4316526 0.06495078 -1.71924285 5.84987336 5.0349221 0.42629311 1.171E-9 2.618E-9 5.8549999999E-9 1.3089999999E-8 2.927E-8 6.546E-8 1.464E-7 3.2729999999E-7 7.3179999999E-7 0.0000016359999999 0.0000036589999999 0.000008182 0.0000183 0.000040909999999 0.00009148 89-58-7 6974 144207570 A A 1,4-Dimethyl-2-nitrobenzene Cc1ccc(C)cc1[N+](=O)[O-] Tox21_200372 -NCGC00091284-03 196711579 tox21-ror-cho-viability-p1 set2 -2.4 27.3060203028 -24.94021978 1.5 -23.44021978 4.9549173134 0.8274104007 0.006222739 5.79174031 -3.16698598 -1.26973001 -2.40192099 5.19859165 0.37052549 -0.70893369 2.63887248 4.32497029 2.52995844 3.27764923 3.48136011 -2.3905212 -21.20018315 1.18323039 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00090780-04 196711174 tox21-ror-cho-viability-p1 set2 4 3.6575984 3.26445862 -1.45504439 0.22076276 3.09981001 0.24468185 0.30288136 -2.1288203 0.19970545 1.71794726 1.3294911 -3.52984778 -0.21670608 -3.01375009 -4.0164147 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00260118-01 196711576 tox21-ror-cho-viability-p1 set2 4 -1.3470961 -0.54547042 -6.79998618 -5.46921688 -3.0623967 -1.35820722 -0.28785841 -3.55981032 -0.36139997 -5.1724777 -3.9252442 -1.56670412 -2.66701023 -5.2137181 -0.95006021 1.194E-9 2.67E-9 5.9699999999E-9 1.335E-8 2.985E-8 6.675E-8 1.4919999999E-7 3.337E-7 7.4619999999E-7 0.000001669 0.0000037309999999 0.000008343 0.00001866 0.00004172 0.00009328 52556-42-0 23677323 144209767 A A Sodium 3-(allyloxy)-2-hydroxypropanesulphonate [Na+].[O-]S(=O)(=O)CC(O)COCC=C Tox21_202569 -NCGC00357204-01 196711577 tox21-ror-cho-viability-p1 set2 2.2 61.130564862 37.717852596 1.782147404 39.5 2.7202212143 0.9011366768 0.000305141 2.82203103 3.46731567 -6.43154383 3.10276471 1.96241657 2.05363392 1.70513426 0.23911548 2.99234058 1.54999499 4.28838343 0.5239384 4.32446728 10.06327354 30.46585831 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5949-05-3 443157 251919795 A (S)-(-)-Citronellal C\C(C)=C\CC[C@H](C)CC=O Tox21_303980 -NCGC00256665-01 196707851 tox21-ror-cho-viability-p1 set1 4 2.16781283 -3.70175477 3.796403 -9.26450141 -3.26231261 -14.07088211 -2.0227935 -4.63653909 1.17429243 -11.22940247 -9.01152198 -2.6819583 3.18631568 -0.73923127 -11.37955416 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3057-08-7 76464 144212837 F F 5,5-Dimethyl-2-phenoxy-1,3,2-dioxaphosphinane CC2(C)COP(Oc1ccccc1)OC2 Tox21_302520 -NCGC00091468-02 196707032 tox21-ror-cho-viability-p1 set1 4 -0.69517543 -0.94918583 0.5224351 -3.59834681 4.9284444 -0.58793272 2.14006355 0.11236937 -10.02975213 3.58676262 -10.05349962 -0.64852945 -1.14764488 0.07842691 5.90738852 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00163774-04 196707443 tox21-ror-cho-viability-p1 set1 4 0.200212659 -3.7679848199 3.5 -0.2679848199 4.9549173134 0.3676647574 0.307224416 1.70043795 5.76550578 2.82427884 1.32119852 3.38690289 3.53575986 5.06453613 -4.38998735 2.47628077 -1.21068885 4.22638606 0.78404362 -0.05945446 -2.50169818 -0.68466559 1.2149999999E-9 2.7169999999E-9 6.075E-9 1.358E-8 3.038E-8 6.7919999999E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00256522-01 196707453 tox21-ror-cho-viability-p1 set1 4 1.9044377 2.87123762 -9.64017552 -0.51646899 2.15277677 0.55260114 4.56311318 5.53223206 1.25594057 1.10324402 2.17639322 3.17688634 -0.81218788 2.63968995 1.99500544 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-78-1 998 144213262 Z F Phenylacetaldehyde O=CCc1ccccc1 Tox21_302945 -NCGC00257073-01 196707853 tox21-ror-cho-viability-p1 set1 4 2.7658297 1.87963584 5.31794346 -3.43975594 -16.92289524 -4.42147938 2.96163674 5.33039945 -1.58330752 2.52585563 3.07018813 4.1907923 2.07500248 0.12088625 4.15821569 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-21-4 7915 144213604 Fns Isopropyl acetate CC(=O)OC(C)C Tox21_303287 -NCGC00090910-03 196707861 tox21-ror-cho-viability-p1 set1 4 0.4628201 -2.79080904 -4.71818349 -9.82957303 -5.73470341 -3.3961979 -6.22521827 2.19876719 -12.67218165 -6.02927953 -23.2888499 -0.12240444 -3.51329375 -3.15405814 0.22382432 1.227E-9 2.7439999999E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008574 0.00001917 0.000042869999999 0.00009586 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00257382-01 196707867 tox21-ror-cho-viability-p1 set1 4 8.911125307 -13.3003842959 2.5 -10.8003842959 2.3331733767 0.712067009 0.0412485845 8.44835649 1.93547438 0.83321715 2.37074992 -1.011218 1.07726583 7.79617829 1.99368138 3.18214395 -0.8250584 1.87803653 -0.96240441 -8.18388542 -9.83365358 -1.52114521 9.0839999999E-10 2.0309999999E-9 4.5419999999E-9 1.016E-8 2.271E-8 5.0779999999E-8 1.136E-7 2.539E-7 5.678E-7 0.00000127 0.000002839 0.0000063479999999 0.00001419 0.00003174 0.000070969999999 52806-53-8 91649 144213961 A A Hydroxyflutamide O=C(Nc1cc(c(cc1)[N+]([O-])=O)C(F)(F)F)C(C)(C)O Tox21_303659 -NCGC00257475-01 196708264 tox21-ror-cho-viability-p1 set1 4 4.3128225 0.14260508 -2.54022793 2.6369439 -0.45365863 -2.55552427 0.0038383 4.31533227 0.31179581 2.79161381 -1.56888912 -0.86723459 0.03030253 2.65987362 4.56910038 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6484-52-2 22985 144213829 Ac Ammonium nitrate [NH4+].[O-][N+]([O-])=O Tox21_303522 -NCGC00256695-01 196708273 tox21-ror-cho-viability-p1 set1 4 2.2383734748 9.8043547119 -13.4526778919 -3.64832318 1.331 0.4608030531 0.2148529831 -10.44940303 -11.38537955 -6.49852747 -16.10419279 -11.93751988 -16.05079462 -17.46056491 -17.18847187 -11.36136183 -11.80599439 -4.74182689 -6.50900556 -1.37360265 -11.19616551 -4.21380067 9.0839999999E-10 2.0309999999E-9 4.5419999999E-9 1.016E-8 2.271E-8 5.0779999999E-8 1.136E-7 2.539E-7 5.678E-7 0.00000127 0.000002839 0.0000063479999999 0.00001419 0.00003174 0.000070969999999 28069-74-1 5366352 144213009 F Fns Acetaldehyde ethyl cis-3-hexenyl acetal CCOC(C)OCC\C=C/CC Tox21_302692 -NCGC00091284-03 196728281 tox21-ror-cho-viability-p1 set3 4 0.11891892 0.17655033 2.21478937 -0.84832484 1.49249698 -0.44564264 3.29854871 4.90875663 1.91739519 0.06024057 1.77154998 -0.8375029 -2.34378834 -2.92069979 1.11625733 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00255314-01 196729021 tox21-ror-cho-viability-p1 set3 4 2.6002567 13.84552218 21.65486573 2.0469969 2.96651089 8.84297402 13.56210462 14.69013742 8.80804812 5.23832378 2.58885615 12.46717319 7.03581045 6.70647055 -1.76467438 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1452-15-9 15069 144211557 4-Thiazolecarbonitrile N#Cc1cscn1 Tox21_301240 -NCGC00255252-01 196729033 tox21-ror-cho-viability-p1 set3 4 4.58212995 0.31301135 1.32978165 2.73696293 1.83261229 -1.13964179 1.95199729 2.20215502 -0.2828277 2.16691107 -1.37292094 4.12740935 -0.37774097 4.09362967 3.81642601 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76963-41-2 4513 144211911 A F Nizatidine CN(C)Cc1nc(CSCCNC(=C[N+]([O-])=O)NC)cs1 Tox21_301594 -NCGC00258255-01 196729434 tox21-ror-cho-viability-p1 set3 4 9.6589908687 -6.708774276 1 -5.708774276 4.9549173134 0.5832996818 0.1106148194 -0.37396956 0.72137845 -1.7583143 -0.82441859 0.18486569 -0.85914291 -1.34837386 0.93400566 3.66325219 4.86959225 3.92233463 -1.32438483 -8.09064523 -2.48897019 -6.53462054 1.177E-9 2.6319999999E-9 5.886E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.000003679 0.000008225 0.00001839 0.00004113 0.00009196 3115-68-2 76564 144207899 A A Tetrabutylphosphonium bromide [Br-].CCCC[P+](CCCC)(CCCC)CCCC Tox21_200701 -NCGC00090952-07 196727852 tox21-ror-cho-viability-p1 set3 4 -1.73541773 2.29368734 1.07700365 3.33093312 -0.40665601 3.07628047 9.71356987 -0.3094762 1.98306448 3.67750228 0.2859589 0.88164069 2.61718645 5.40159486 -2.15164631 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00256072-01 196727855 tox21-ror-cho-viability-p1 set3 4 0 1.20310512 -3.62130899 5.0553953 -0.21821417 -2.74496027 -0.48783433 3.82864466 2.48519382 5.55397719 0.69840466 -4.20402765 -3.94074893 -2.77397848 4.15863755 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 933-52-8 13617 144211751 F B 2,2,4,4-Tetramethylcyclobutane-1,3-dione CC1(C)C(=O)C(C)(C)C1=O Tox21_301434 -NCGC00163906-02 196727866 tox21-ror-cho-viability-p1 set3 4 7.34039682 0.56494965 0.69721353 5.21290831 5.84795023 16.31537895 12.57028285 11.61677006 10.62727026 13.02992282 10.86393376 15.98665173 5.42601571 -5.41500724 5.89564705 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00255259-01 196728683 tox21-ror-cho-viability-p1 set3 4 3.97435499 0.69795303 8.07193381 2.11383307 -1.12480975 -1.3361899 2.49760531 4.48637707 4.86777033 0.54078715 3.5218229 0.68263615 1.43782289 3.92449663 2.76937173 8.7889999999E-10 1.965E-9 4.394E-9 9.826E-9 2.1969999999E-8 4.913E-8 1.099E-7 2.457E-7 5.493E-7 0.000001228 0.0000027469999999 0.000006141 0.000013729999999 0.00003071 0.00006866 4680-78-8 20803 144211996 F FD&C Green No. 1 [Na+].CC/[N+](Cc1cccc(c1)S([O-])(=O)=O)=C2\C=C/C(C=C2)=C(/c3ccccc3)c4ccc(cc4)N(Cc5cccc(c5)S([O-])(=O)=O)CC Tox21_301679 -NCGC00255682-01 196728688 tox21-ror-cho-viability-p1 set3 4 9.6885416101 13.5010002359 -0.0010002359 13.5 4.9549173134 0.422098366 0.2674377062 2.83101443 -0.20555639 0.58456424 5.80613352 1.84820759 13.21292339 -0.64014857 -8.29569328 -0.34591826 -4.1267197 -8.75083353 4.3860347 13.856574 12.25251935 2.18267349 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5836-29-3 54678504 144211569 A A Coumatetralyl OC=1c4ccccc4OC(=O)C=1C3CCCc2ccccc23 Tox21_301252 -NCGC00255938-01 196728700 tox21-ror-cho-viability-p1 set3 4 43.2771256911 13.5005112719 -2.5005112719 11 0.3 0.4131201068 0.2791941617 1.52317234 -6.25042606 -0.80059556 -2.24071574 -1.14076543 -0.70435506 1.09348934 -0.19421409 1.76675009 0.17480638 3.14440359 1.71118735 -1.36197487 8.31303476 0.523122 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60207-93-4 91673 144211885 A A Etaconazole Clc1ccc(c(Cl)c1)C3(Cn2ncnc2)OCC(CC)O3 Tox21_301568 -NCGC00255636-01 196728702 tox21-ror-cho-viability-p1 set3 4 6.1130564862 13.4048174279 -1.9048174279 11.5 4.9549173134 0.4946934279 0.1997771577 0.3116313 -6.66412207 -9.5128946 6.24246937 -1.33401914 3.99649741 3.9858354 -9.92068119 3.79059679 -6.47454298 -6.38796655 13.08393704 9.76143958 10.50774444 4.1883501 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 565-62-8 5364579 144212674 F 3-Methyl-3-penten-2-one C\C=C(/C)C(C)=O Tox21_302357 -NCGC00255606-01 196728703 tox21-ror-cho-viability-p1 set3 4 0.33939499 0.74409919 4.60412915 7.14839348 -1.25002603 -1.26731724 -4.17116601 4.6117671 1.09323968 2.55533072 2.74954455 -0.28866472 -0.2926838 2.89290621 -2.89786224 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4638-03-3 95402 144212555 B A 1-Allyloxy-3-chloro-2-propanol ClCC(O)COCC=C Tox21_302238 -NCGC00255926-01 196729099 tox21-ror-cho-viability-p1 set3 4 0.42909641 -4.08572395 6.24484594 -14.8964963 9.95200479 10.14823557 -13.15945092 7.87771019 12.81343768 -2.09289797 12.34318781 7.82525736 3.12633627 1.39047075 0.72119865 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 71-30-7 597 144212456 F A Cytosine NC=1C=CNC(=O)N=1 Tox21_302139 -NCGC00256340-01 196718349 tox21-ror-cho-viability-p1 set2 4 -1.49117127 -2.36239707 1.11010019 0.42848328 0.63064322 -0.09722503 -4.40205488 -0.56663402 -0.3166636 -1.71236224 -0.95242822 2.09391879 0.28193457 -3.94977403 -1.27406261 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-73-3 8489 144213142 A Ac 1-Chloro-3-nitrobenzene O=[N+]([O-])c1cc(Cl)ccc1 Tox21_302825 -NCGC00256799-01 196718302 tox21-ror-cho-viability-p1 set2 4 0.8345501 -0.42425098 0.02794717 1.9311504 0.63883107 2.31527932 0.11335171 3.54896913 1.20931584 0.5572637 8.22509662 3.03130901 1.94397122 0.95211402 0.760084 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 20665-85-4 539829 144212859 A A Vanillin isobutyrate COc1cc(ccc1OC(=O)C(C)C)C=O Tox21_302542 -NCGC00257017-01 196718304 tox21-ror-cho-viability-p1 set2 4 -3.6361998 -3.62964552 -2.21886681 -6.71494277 -3.68684719 -9.20475676 -4.42727668 -2.99935293 -5.78616184 -5.94882733 -7.12986449 -1.1553117 -3.64295943 -0.51861807 -11.29902252 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14371-10-9 637511 144213588 D (2E)-3-Phenylprop-2-enal O=C\C=C\c1ccccc1 Tox21_303271 -NCGC00256485-01 196718305 tox21-ror-cho-viability-p1 set2 4 1.48384346 -0.55470619 -0.3765883 1.58216077 -0.66666256 3.98787418 1.40940984 1.64980607 0.49279507 2.64996179 -0.37310997 4.07299 1.68267623 2.73580718 3.40965464 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 15879-93-3 7057995 144213314 A A Chloralose OC[C@@H](O)[C@H]1O[C@@H]2O[C@@H](O[C@@H]2[C@H]1O)C(Cl)(Cl)Cl Tox21_302997 -NCGC00023217-08 196717920 tox21-ror-cho-viability-p1 set2 4 -2.11079057 -0.03073723 -0.03504914 -1.50986015 0.37312787 -0.7845468 -1.66021127 1.50945269 0.10308878 -2.46401335 -0.95186373 -2.34345589 0.95225093 0.88476142 0.73912077 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6385-02-0 23663959 170464886 A Meclofenamate sodium [Na+].O.Clc2ccc(C)c(Cl)c2Nc1ccccc1C([O-])=O Tox21_110764_1 -NCGC00257254-01 196718345 tox21-ror-cho-viability-p1 set2 4 -6.05585939 -4.04666712 0.83376365 1.11057517 -6.42477414 -6.06221168 -2.01321177 -1.81818222 -6.87834353 -1.75721453 -5.24040514 3.23347895 -6.11342029 0.78632901 -7.55372104 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2550-26-7 17355 144213658 A A Benzylacetone CC(=O)CCc1ccccc1 Tox21_303341 -NCGC00257315-01 196718346 tox21-ror-cho-viability-p1 set2 4 0.86248089 -1.15747712 -0.26416547 -3.34337322 -2.34127937 -3.13724462 -1.49656567 -2.15704545 -0.26099775 -0.26480807 -1.1091388 -3.93281629 -0.57273894 -0.70473238 -2.78974059 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.314E-8 2.9369999999E-8 6.568E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.000003672 0.00000821 0.000018359999999 0.000041049999999 0.00009179 1646-87-3 9568700 144213759 A A Aldicarb sulfoxide CC(C)(\C=N\OC(=O)NC)S(C)=O Tox21_303449 -NCGC00256493-01 196718350 tox21-ror-cho-viability-p1 set2 4 3.27825481 1.6816645 -1.82703594 2.08154607 2.50814296 2.24301177 -1.77956841 2.09990895 2.62340691 -1.71306011 -0.78511156 2.38135481 -0.61408261 3.30173134 1.69501332 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 3883-43-0 5284382 144213123 Z F 2,3-Dichloro-p-dioxane Cl[C@H]1OCCO[C@@H]1Cl Tox21_302806 -NCGC00256638-01 196718748 tox21-ror-cho-viability-p1 set2 4 0.0009439176 16.778074112 -18.778074112 -2 0.5 0.4338549343 0.2573377508 -11.41323828 -14.81506176 -3.86446132 -1.8543985 -3.73393316 -11.80867332 -6.44905317 -0.87967001 -1.22288743 -1.92382624 -3.16845473 1.20813813 -0.95256865 -6.10713912 -28.48111619 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68606-83-7 144213020 M M Cananga oil Tox21_302703 -NCGC00256504-01 196718752 tox21-ror-cho-viability-p1 set2 4 -0.87640865 1.66417901 0.22434207 2.6403667 -0.5970045 6.1147341 0.18849053 2.97572775 4.96550747 2.30342203 1.78401101 4.57425695 1.18696445 7.54768049 0.40461266 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-81-7 54670067 144213275 Z A L-Ascorbic acid OC=1C(=O)O[C@H]([C@@H](O)CO)C=1O Tox21_302958 -NCGC00256535-01 196718754 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -44.966728524 2.912502082 -42.054226442 4.9549173134 0.9057356248 0.0002396806 1.65575384 -1.80126694 1.58379692 3.84917094 -0.3539621 2.04379479 0.81319433 7.45857163 6.56492846 4.92376505 8.02768459 2.75986636 -1.3995581 1.60266398 -33.72227377 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-65-6 8066 144213192 A A 2-Butyne-1,4-diol OCC#CCO Tox21_302875 -NCGC00256370-01 196718766 tox21-ror-cho-viability-p1 set2 -2.1 48.5577336745 -76.8599556722 -5.544862917 -82.4048185892 2.3331733767 0.9665965201 8.918E-7 -1.50739476 -4.88191263 -2.88771738 -5.74676512 -6.21779857 -4.6021381 -12.86835395 -5.45471478 -11.51917157 -7.70235935 -5.22171392 -2.20592296 -10.04166647 -36.80930716 -68.86728681 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63-92-3 5284441 144213295 C Fns Phenoxybenzamine hydrochloride Cl.CC(COc1ccccc1)N(Cc2ccccc2)CCCl Tox21_302978 -NCGC00256438-01 196719161 tox21-ror-cho-viability-p1 set2 4 0.06766909 3.06576681 3.12014993 -3.72690206 -3.51963587 -6.28944732 -8.80300965 -0.64906597 -0.27343578 1.24406161 0.53347241 3.64803136 -0.34403753 0.32677603 3.57197071 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76150-91-9 5382 144213187 A F 1,4-Bis[2-(3,5-dichloropyridyloxy)]benzene Clc3cc(Cl)cnc3Oc1ccc(cc1)Oc2ncc(Cl)cc2Cl Tox21_302870 -NCGC00091775-03 196714838 tox21-ror-cho-viability-p1 set2 4 0.45293387 0.33218155 0.15921187 2.37471024 0.20791694 1.7155506 0.24898196 0.14171091 1.34456265 -0.57974457 -3.30146472 -3.84074397 0.64599888 -3.49398397 -5.77464328 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00254478-01 196714860 tox21-ror-cho-viability-p1 set2 4 2.09614046 1.96836581 0.21247754 0.50163711 1.56174497 3.82768325 1.59004126 -1.12467891 1.89546167 1.70143374 2.09424055 1.5056002 5.12933508 1.22300293 2.37204548 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 629-76-5 12397 144210870 A A 1-Pentadecanol CCCCCCCCCCCCCCCO Tox21_300553 -NCGC00254163-01 196714847 tox21-ror-cho-viability-p1 set2 4 0.60091671 0.50249242 0.06788079 0.65171705 -0.231277 3.85461981 3.6534052 1.02559158 1.75661306 6.44773241 0.31384761 5.60290045 5.26564069 5.50086583 5.80351719 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-77-9 7577 144210461 A A 4,4'-Methylenedianiline Nc2ccc(Cc1ccc(N)cc1)cc2 Tox21_300141 -NCGC00091080-03 196714854 tox21-ror-cho-viability-p1 set2 4 57.4197936189 15.2244120279 -0.7244120279 14.5 4.9549173134 0.6107241904 0.0899556885 0 -0.03249907 0.66022059 -2.31394276 0.65842063 0.83016776 0.90542538 -0.25202914 3.28745202 -6.85367669 3.13767857 -3.80429069 -4.79944161 1.46898277 12.75819971 1.1199999999E-9 2.5029999999E-9 5.5979999999E-9 1.2519999999E-8 2.799E-8 6.259E-8 1.399E-7 3.129E-7 6.9969999999E-7 0.0000015649999999 0.000003499 0.000007823 0.000017489999999 0.00003912 0.00008747 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00254800-01 196714855 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -16.369866768 1 -15.369866768 4.9549173134 0.7662640612 0.0152146078 1.11749264 0.75955393 -0.34626152 0.36039697 -3.90622549 1.2316906 1.85213548 0.72131236 0.23096698 0.72636106 0.50953704 3.69655856 4.79083021 0.29465922 -12.39155564 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 54593-83-8 91655 144211213 A Fns Chlorethoxyfos CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl Tox21_300896 -NCGC00254650-01 196714867 tox21-ror-cho-viability-p1 set2 4 -5.11840466 -0.75539694 -0.61698927 -0.24795619 -1.14204896 0.61178734 -3.85050837 -12.28519932 -6.88293771 -4.79851943 -6.96242429 -19.61830896 0.70821946 -3.17181925 -3.37495641 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-88-3 26229 144211061 A A 4-Chlorophenoxyacetic acid Clc1ccc(OCC(=O)O)cc1 Tox21_300744 -NCGC00254683-01 196714868 tox21-ror-cho-viability-p1 set2 4 0.66053902 1.05338961 3.4496615 0.94605291 0.09188802 3.47333929 1.57719529 0.27338383 1.94251414 2.8418721 0.57274798 4.44783477 7.49032781 0.87338532 0.6463366 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51338-27-3 39985 144211096 A A Diclofop-methyl Clc2cc(Cl)ccc2Oc1ccc(OC(C)C(=O)OC)cc1 Tox21_300779 -NCGC00257724-01 196715266 tox21-ror-cho-viability-p1 set2 4 -0.01036499 3.52913465 1.46701002 0.82559943 2.74146203 -2.99121642 0.07196532 1.96426731 -0.48120607 0.85433331 0.24259113 1.30841704 1.54800645 0.96402967 0.2274856 1.172E-9 2.621E-9 5.862E-9 1.311E-8 2.931E-8 6.554E-8 1.465E-7 3.277E-7 7.327E-7 0.0000016379999999 0.000003664 0.000008192 0.00001832 0.00004096 0.00009159 24370-25-0 32346 144207368 A A 2-Benzimidazolylurea NC(=O)Nc1nc2ccccc2n1 Tox21_200170 -NCGC00258252-01 196715268 tox21-ror-cho-viability-p1 set2 4 -2.39411088 -2.37235112 -1.17371155 -0.25616297 0.82451632 -2.22921132 0.79946404 -0.37208401 -0.37867993 -3.08864158 0.77096222 0.90120751 -3.58781945 -2.37507082 -1.263984 1.2169999999E-9 2.722E-9 6.087E-9 1.361E-8 3.044E-8 6.8059999999E-8 1.522E-7 3.403E-7 7.609E-7 0.0000017009999999 0.000003805 0.000008507 0.000019019999999 0.000042539999999 0.00009512 3699-54-5 77290 144207896 A A 1-(2-Hydroxyethyl)-2-imidazolidinone O=C1NCCN1CCO Tox21_200698 -NCGC00258073-01 196715272 tox21-ror-cho-viability-p1 set2 4 4.92257802 3.62468025 2.87811589 2.5933268 1.87223622 2.00656811 0.84565184 3.57881157 1.02190767 1.87061689 -0.82773367 4.96050227 -1.24228165 2.7488786 0.88731298 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.613E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.00001848 0.00004133 0.00009242 21436-96-4 88898 144207717 A A 2,4-Dimethylaniline hydrochloride Cl.Cc1ccc(N)c(C)c1 Tox21_200519 -NCGC00258158-01 196715679 tox21-ror-cho-viability-p1 set2 4 0.99502565 -1.473929 -1.9427014 -1.26421426 -1.00928423 0.53221498 -1.76249765 0.50650781 -0.44839523 -1.69078417 0.76059523 0.20413169 0.27300192 -1.41100872 -1.99096288 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 22113-88-8 10197675 144207802 A A Propylammonium nitrate CCCN.[O-][N+](=O)O Tox21_200604 -NCGC00257618-01 196715680 tox21-ror-cho-viability-p1 set2 4 -4.83213237 -0.5269007 1.40219858 2.7406851 2.5426193 -3.21351202 -5.74008692 -4.26203498 2.06859346 -0.47317239 -2.37719624 2.4224074 -5.92125524 -4.55527815 -5.32057059 1.156E-9 2.585E-9 5.781E-9 1.293E-8 2.8899999999E-8 6.463E-8 1.4449999999E-7 3.231E-7 7.226E-7 0.000001616 0.000003613 0.000008079 0.000018059999999 0.00004039 0.000090319999999 9005-67-8 22833389 144207262 D A Polysorbate 60 OCCO[C@H]1CO[C@@H]([C@@H]1OCCO)[C@H](O)COC(=O)CCCCCCCCCCC Tox21_200064 -NCGC00258515-01 196715690 tox21-ror-cho-viability-p1 set2 4 -2.9275098 -2.07886145 -0.9986845 -0.48024807 -3.03624856 -3.23526536 -1.22131631 -11.68585985 1.11283364 -1.86055933 -2.43929205 -0.65858126 1.19270957 0.43262871 0.27570302 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.3169999999E-8 2.9459999999E-8 6.587E-8 1.4729999999E-7 3.294E-7 7.365E-7 0.0000016469999999 0.0000036819999999 0.000008234 0.000018409999999 0.00004117 0.00009206 94-07-5 7172 144208160 A A p-Synephrine OC(CNC)c1ccc(O)cc1 Tox21_200962 -NCGC00018097-06 196725142 tox21-ror-cho-viability-p1 set3 4 -1.44085581 -5.0609128 4.73336986 0.56468082 1.15990475 -3.60233466 -4.35926238 -0.54518521 -6.94859451 -3.26447515 -1.75558713 -1.45589048 -6.22429547 0.24932108 -3.21266666 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 70-70-2 6271 170465896 A Paroxypropione O=C(CC)c1ccc(O)cc1 Tox21_110822_1 -NCGC00260028-01 196724327 tox21-ror-cho-viability-p1 set3 -2.1 63.9386270414 -80.846160149 -0.1051825049 -80.9513426539 4.5044702849 0.9418759666 0.000019043 -3.83374855 3.37101266 3.35560999 3.51167615 2.54808164 1.46308167 6.24917215 1.38719126 1.38401052 -11.78272891 -1.30319359 -0.75741212 -6.5685567 -11.1575017 -69.8026529 1.2249999999E-9 2.7399999999E-9 6.126E-9 1.37E-8 3.063E-8 6.8489999999E-8 1.532E-7 3.425E-7 7.658E-7 0.0000017119999999 0.000003829 0.000008561 0.00001914 0.00004281 0.00009572 75-07-0 177 144209677 D Acetaldehyde CC=O Tox21_202479 -NCGC00260321-01 196724727 tox21-ror-cho-viability-p1 set3 4 0.0002074968 -13.5056988639 13 -0.5056988639 0.2 0.3399889752 0.3320458085 7.69368644 9.2696341 5.22999534 2.65883411 1.48877622 9.08162586 1.89732368 2.50367197 7.17797537 2.55934716 1.23168838 4.52615749 -4.17141572 2.45417689 2.24312655 5.81E-11 1.299E-10 2.905E-10 6.4959999999E-10 1.453E-9 3.248E-9 7.263E-9 1.624E-8 3.631E-8 8.1199999999E-8 1.816E-7 4.06E-7 9.078E-7 0.0000020299999999 0.0000045389999999 299-27-4 16760467 144209972 Fns Potassium D-gluconate [K+].O[C@H]([C@@H](O)C([O-])=O)[C@H](O)[C@H](O)CO Tox21_202774 -NCGC00163774-04 196725136 tox21-ror-cho-viability-p1 set3 4 0 -8.46710383 -0.95000308 -3.03588892 0.89352427 2.00202795 0.25418686 0.24070198 -5.30244579 -4.65181972 -3.50381725 -3.3953872 -3.19371755 1.17650415 -3.67067156 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00016242-05 196725147 tox21-ror-cho-viability-p1 set3 4 -3.15275057 -2.27385987 5.01333026 -2.7014889 2.16576862 -3.94991812 -3.3816645 -3.67190309 -1.98628566 -3.98948055 1.7793573 0.25072765 0.57233791 -3.41617602 -2.03568516 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54-36-4 4174 170465268 A Metyrapone CC(C)(c1cccnc1)C(=O)c2cccnc2 Tox21_110323_1 -NCGC00262942-01 196725553 tox21-ror-cho-viability-p1 set3 4 -0.68497989 -0.50199064 -0.94694397 8.6504132 1.13717957 -2.18064459 3.95950323 3.34937446 -3.81346757 4.79539047 6.14775229 3.76877775 -0.15253639 5.96973135 1.11372317 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1146-95-8 121035 170465899 F A Etifelmine hydrochloride Cl.CCC(\CN)=C(/c1ccccc1)c2ccccc2 Tox21_113935 -NCGC00274069-01 196725556 tox21-ror-cho-viability-p1 set3 4 -3.84965647 0.16027759 -4.00831317 -4.42894009 -3.90757494 -6.15302505 -4.10366933 -2.26545225 -6.66862373 -5.53320827 -3.61009944 -2.02749562 -0.21061243 -1.83484718 1.71324277 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62-90-8 229455 170465193 A Nandrolone phenpropionate O=C5CC[C@H]4C(CC[C@@H]2[C@@H]4CC[C@]3(C)[C@@H](OC(=O)CCc1ccccc1)CC[C@@H]23)=C5 Tox21_113342_1 -NCGC00091112-09 196725566 tox21-ror-cho-viability-p1 set3 -1.1 9.4391758155 -108.7710297673 8.5728737632 -100.1981560041 2.1210667061 0.963893053 0.0000013805 -0.33309971 1.22660289 9.06377202 6.81583574 4.62166864 22.23364641 19.5211408 6.48762035 12.29772626 9.27191508 0.31161417 -12.21674614 -37.75952824 -91.12878656 -92.0713371 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 548-62-9 11057 170464787 B Methylrosaniline chloride [Cl-].C/[N+](C)=C1\C=C\C(C=C1)=C(/c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C Tox21_111084_1 -NCGC00167538-02 196725570 tox21-ror-cho-viability-p1 set3 2.2 23.7101376556 47.5225788942 1.4544517829 48.9770306771 3.0654483358 0.9437777826 0.0000159364 4.25824609 1.82738366 -1.20857039 1.59062472 2.97595249 4.54446313 -1.35642647 6.20987253 -3.07803003 3.87270467 0.84210452 -1.94348611 0.09077805 19.9197499 43.96021359 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6933-90-0 23360 170466032 A Clorprenaline hydrochloride Cl.OC(CNC(C)C)c1ccccc1Cl Tox21_112535_1 -NCGC00261975-01 196725975 tox21-ror-cho-viability-p1 set3 4 -8.14187686 -6.58630539 -7.16013636 -2.41810356 4.10022182 -2.61188272 1.54015737 -10.71539488 -2.66260896 2.6908096 -1.68621753 1.76633599 -12.81242159 -0.82177675 -10.35939868 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17814-85-6 161236 170466747 A A (4-Carboxybutyl)triphenylphosphonium bromide [Br-].O=C(O)CCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3 Tox21_113895 -NCGC00258588-01 196730190 tox21-ror-cho-viability-p1 set3 4 9.6491439647 -10.9088016639 -1.5 -12.4088016639 3.5117481694 0.4609403646 0.2314951046 -1.53738099 -7.3296442 -4.73121029 -0.98438046 -0.58672097 -1.68263892 -0.99989591 0.84032956 -0.06467416 -0.94809907 -1.06728737 -1.60482109 -20.75733472 -4.99011515 -6.35884124 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 144-82-1 5328 144208233 A A Sulfamethizole Cc2nnc(NS(=O)(=O)c1ccc(N)cc1)s2 Tox21_201035 -NCGC00258484-01 196729779 tox21-ror-cho-viability-p1 set3 4 19.5476301686 -16.718190392 -0.5 -17.218190392 2.4063783767 0.9055244415 0.0002441876 -0.14070502 0 -2.0728863 0.63072455 -2.7717531 -0.03186555 1.31074008 -2.64567355 0.78596734 0.8672517 -4.69950531 0 -8.86714762 -13.96057851 -17.26515866 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.976E-8 6.656E-8 1.4879999999E-7 3.3279999999E-7 7.441E-7 0.0000016639999999 0.000003721 0.000008319 0.0000186 0.0000416 0.00009301 1641-17-4 71645 144208128 A A Mexenone O=C(c1ccc(cc1O)OC)c2ccc(C)cc2 Tox21_200930 -NCGC00015426-09 196723650 tox21-ror-cho-viability-p1 set3 4 33.4914596268 13.460780004 -6.460780004 7 4.9549173134 0.602417234 0.0960956873 -5.38406198 -9.63169546 -3.89607676 -5.9634084 -7.13625407 -5.93023151 -6.53486814 -7.80196112 -0.22083253 -5.94230945 -4.45293605 -6.86393068 -9.96731667 -8.34718737 5.86133075 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80288-49-9 3433 170466557 A Furafylline Cc2nc3N(Cc1ccco1)C(=O)N(C)C(=O)c3n2 Tox21_110143_1 -NCGC00013679-06 196723644 tox21-ror-cho-viability-p1 set3 -2.2 21.1316824289 -44.651238457 4 -40.651238457 2.3331733767 0.936536795 0.0000305718 5.53062828 0.81757642 4.05095697 4.31893425 2.46768008 6.62694663 -0.6333969 -0.19548016 6.16923155 10.57279424 6.13253049 2.23088036 -1.05335724 -18.48250021 -34.30304541 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97-24-5 7329 170466421 A Fenticlor Oc2ccc(Cl)cc2Sc1cc(Cl)ccc1O Tox21_110031_1 -NCGC00015774-06 196723645 tox21-ror-cho-viability-p1 set3 4 0.421632496 14.5979208639 -8.0979208639 6.5 4.9549173134 0.4356111668 0.2542672949 -3.11886378 -1.04860601 1.62286897 -6.81540293 2.99863255 -25.08160072 -13.14305177 -19.62117662 -2.62915573 8.57467256 11.58813455 7.07796969 4.11935552 0.46419688 -8.82516839 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60607-34-3 4615 170466059 A Oxatomide O=C5Nc1ccccc1N5CCCN2CCN(CC2)C(c3ccccc3)c4ccccc4 Tox21_110219_1 -NCGC00016668-06 196723647 tox21-ror-cho-viability-p1 set3 4 0.26603212 -18.297318952 7 -11.297318952 3.1924983358 0.7771321673 0.0166745014 14.0074002 0.73049794 13.98412868 10.11564412 0.55380589 0.44077337 10.95265345 3.1589782 -5.58056306 -12.04880481 -14.41443246 -6.56559636 -13.17853447 -9.28818769 0.79245996 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6064-83-1 3418 170466091 Cc Salicylic acid dihydrogen phosphate OP(=O)(O)Oc1ccccc1C(=O)O Tox21_110554_1 -NCGC00253646-01 196723653 tox21-ror-cho-viability-p1 set3 4 -1.32343521 1.30504083 -1.06603037 -0.8613991 0.59856758 7.82471373 0.64086455 6.91149202 -3.74400148 3.53815939 2.17662381 1.55414987 -1.80419774 1.29721319 5.08379733 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 138112-76-2 82148 170466417 A A Agomelatine CC(=O)NCCc1cccc2ccc(OC)cc12 Tox21_113772 -NCGC00357148-01 196724051 tox21-ror-cho-viability-p1 set3 -1.2 17.2289340586 -52.2083896326 -1.852252235 -54.0606418676 1.6266150999 0.9720966204 3.216E-7 -4.27469141 -5.68139669 3.85536942 -6.31482932 -0.79682875 -2.66221457 -2.49226155 -1.3503396 0.48513217 -4.21211274 -4.56158407 -16.31362163 -26.1142896 -45.9033095 -49.66715293 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6358-53-8 9570225 251919677 A C.I. Solvent Red 80 COc3ccc(cc3/N=N/c1c2ccccc2ccc1O)OC Tox21_303891 -NCGC00259071-01 196724053 tox21-ror-cho-viability-p1 set3 4 47.6702416765 -32.741417352 8 -24.741417352 1.21 0.8425131607 0.0028175597 8.40816993 3.21059737 4.61321052 7.62753474 10.91409375 12.46575265 11.56166578 10.27837316 7.36590166 6.59816307 5.62621131 0.81275641 1.66021373 -2.90294523 -17.28451446 1.162E-9 2.5969999999E-9 5.808E-9 1.299E-8 2.9039999999E-8 6.493E-8 1.4519999999E-7 3.247E-7 7.2599999999E-7 0.000001623 0.0000036299999999 0.000008117 0.000018149999999 0.000040579999999 0.00009075 117-79-3 8341 144208719 A A 2-Aminoanthraquinone Nc2ccc3C(=O)c1ccccc1C(=O)c3c2 Tox21_201521 -NCGC00090910-03 196724054 tox21-ror-cho-viability-p1 set3 4 11.3923540986 -10.23123964 1.5 -8.73123964 2.2526478767 0.4854427716 0.209327727 -4.63793443 -3.44194439 -0.52034444 0.25780282 2.74421316 0.72769331 4.55744756 6.6877816 0.49430084 5.89743321 -0.52165203 0.00729522 -8.9426997 -7.22529352 -0.24822154 1.227E-9 2.7439999999E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008574 0.00001917 0.000042869999999 0.00009586 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00091650-03 196724063 tox21-ror-cho-viability-p1 set3 4 1.3685428777 7.517464328 1.482535672 9 1.6266150999 0.4531197532 0.2391701161 -3.34788694 4.79696364 -0.45689627 0.22577604 2.54688234 5.59276459 0.99875674 1.99550717 2.13457406 5.09802427 9.35923494 16.67858027 6.10672507 3.30088324 3.72609561 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00254765-01 196720817 tox21-ror-cho-viability-p1 set3 4 0.0121971512 -18.232834124 16.5 -1.732834124 0.3 0.6077906999 0.1057258698 12.91866578 5.95836067 5.66103745 8.1347516 12.18903223 5.88162664 0.61083994 -0.19186676 3.31321126 2.97009693 4.23701588 -2.27736177 0.86442739 -0.70202409 5.21644428 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 72490-01-8 51605 144211526 A A Fenoxycarb O=C(OCC)NCCOc1ccc(cc1)Oc2ccccc2 Tox21_301209 -NCGC00254650-01 196719982 tox21-ror-cho-viability-p1 set3 4 10.8707224818 13.92568718 -7.92568718 6 0.5 0.6714521417 0.0524680459 -9.20916339 -12.43807265 -2.23983056 -5.21053811 -10.06896221 -6.71140317 -5.29967806 -5.9275684 -3.29017849 -6.91783899 -3.24155907 0.6565963 -1.76890513 0.46532877 4.49021986 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-88-3 26229 144211061 A A 4-Chlorophenoxyacetic acid Clc1ccc(OCC(=O)O)cc1 Tox21_300744 -NCGC00254419-01 196720395 tox21-ror-cho-viability-p1 set3 4 0.0038570779 13.293438408 -6.293438408 7 4.9549173134 0.3681795256 0.3182125169 -5.0893713 -8.57786534 10.24853778 -6.18499483 15.9837741 10.23242883 3.37897322 11.07946461 16.33362819 7.76946674 -0.49283279 11.04230811 5.62496628 0.58120755 -3.60230959 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-55-3 5954 144210817 D Benz(a)anthracene c1c4ccccc4cc3c1ccc2ccccc23 Tox21_300499 -NCGC00254244-01 196720636 tox21-ror-cho-viability-p1 set3 -2.1 62.8417040508 -88.6629842588 -8.045394662 -96.7083789208 3.5722481694 0.9413183228 0.0000200506 -15.97591904 -16.40283699 -8.55439195 -6.7284365 -12.92898194 -8.64863798 -5.73562391 -8.1193938 -8.09596545 -0.97044288 -1.77338098 -5.75560488 -8.90153659 -21.16549214 -74.77907494 1.097E-9 2.4529999999E-9 5.486E-9 1.2269999999E-8 2.7429999999E-8 6.133E-8 1.371E-7 3.0669999999E-7 6.857E-7 0.0000015329999999 0.0000034289999999 0.000007667 0.00001714 0.000038329999999 0.000085709999999 NOCAS_47381 11477651 144210790 A A AVE8923 Cl.CCCOc1sc(c(C)c1Br)C(=O)N2CCC(CC2)c3cc(CN)ccc3F Tox21_300472 -NCGC00090789-02 196720615 tox21-ror-cho-viability-p1 set3 4 1.87298128 -2.19113705 3.23836271 9.1514162 6.64174009 0.87778403 11.71498489 -4.46565368 3.74130918 2.30238117 -4.38621846 8.5669917 0.60426244 3.35934129 0.93369176 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00254363-01 196720618 tox21-ror-cho-viability-p1 set3 -2.2 12.2416595481 -60.0022859519 -1.606903656 -61.6091896079 1.372261 0.9821219191 2.48E-8 -2.17773152 -3.24041588 -6.54159315 -0.73877428 0.66629944 0.97804522 -5.11846738 -0.24460567 0.74085924 -4.28293861 -5.03919691 -18.71617393 -30.13861878 -44.76888808 -55.09099134 7.326E-10 1.638E-9 3.663E-9 8.191E-9 1.8319999999E-8 4.095E-8 9.1579999999E-8 2.048E-7 4.5789999999E-7 0.000001024 0.000002289 0.000005119 0.000011449999999 0.0000256 0.00005724 3844-45-9 19700 144210834 Z Z FD&C Blue No. 1 [Na+].[Na+].CC/[N+](Cc1cccc(c1)S([O-])(=O)=O)=C2\C=C/C(C=C2)=C(\c3ccc(cc3)N(Cc4cccc(c4)S([O-])(=O)=O)CC)c5ccccc5S([O-])(=O)=O Tox21_300516 -NCGC00091426-02 196720626 tox21-ror-cho-viability-p1 set3 1.4 0.0061130565 17.416727208 -18.916727208 -1.5 0.4 0.703617737 0.0367807972 -13.3742274 -15.76393934 -8.38864957 -3.74765021 -7.87315167 -9.12222762 -3.63136219 -6.92235657 -4.57311679 -1.62046428 -4.12977239 -4.75764007 1.21647522 -0.10257509 -2.72857974 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00254276-01 196720639 tox21-ror-cho-viability-p1 set3 4 34.3762428541 -26.8487635119 -2.5 -29.3487635119 1.4641 0.529949303 0.1519913428 -3.27794933 -7.77039566 1.55974541 -7.70570377 -3.00918922 -0.06557463 2.61079164 0.81363351 1.58033791 -0.54006125 -16.34070518 -6.87395786 2.02313502 -26.54063626 -21.34162885 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 30516-87-1 35370 144210895 A A 3'-Azido-3'-deoxythymidine CC1=CN(C(=O)NC1=O)[C@H]2C[C@H](\N=[N+]=[N-])[C@@H](CO)O2 Tox21_300578 -NCGC00254833-01 196720640 tox21-ror-cho-viability-p1 set3 4 0.2433651621 11.4063306919 -5.9063306919 5.5 1.21 0.6019221514 0.0956189602 -4.96119499 -6.7815613 -7.83860891 -7.39367323 -1.04451781 -2.23534581 -4.20666511 0.5984778 0.50411412 13.08065235 2.39382064 7.05280012 -1.75677254 1.78611045 12.39308414 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6485-40-1 439570 144211248 A R-(-)-Carvone CC1=CC[C@H](CC1=O)C(C)=C Tox21_300931 -NCGC00259154-01 196721026 tox21-ror-cho-viability-p1 set3 4 -14.49273613 -3.05247673 -6.42898144 -5.35215083 -4.41964525 -10.90021695 -13.98727412 -4.24750885 -9.5238896 -1.01620389 -5.1135299 -6.32500337 -6.47741074 3.23090448 -2.50053342 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.000041259999999 0.000092249999999 93-76-5 1480 144208803 A A 2,4,5-Trichlorophenoxyacetic acid Clc1cc(OCC(=O)O)c(Cl)cc1Cl Tox21_201605 -NCGC00258532-01 196716458 tox21-ror-cho-viability-p1 set2 4 -0.09750556 -1.98635397 -0.64992769 0.41411001 -0.66592588 -1.7888641 1.4351779 0.92058908 -2.28435748 -1.60460347 0.88159911 -0.4232785 -0.36157698 0.57716947 0.9990125 1.189E-9 2.6589999999E-9 5.9469999999E-9 1.3299999999E-8 2.973E-8 6.649E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.0000037169999999 0.0000083109999999 0.000018579999999 0.000041549999999 0.00009292 36362-97-7 11288 144208177 A A 1,2,3-Benzenetricarboxylic acid OC(=O)c1c(cccc1C(=O)O)C(=O)O Tox21_200979 -NCGC00258654-01 196716056 tox21-ror-cho-viability-p1 set2 4 76.4113045955 -18.152662568 1 -17.152662568 4.9549173134 0.8634010243 0.0014873656 3.56345408 0.42131012 1.33890776 0.72145673 0.74195785 0.60534923 1.49824503 -0.17982526 -0.75942633 0.71716182 0.39624757 2.13293038 0.92955543 3.97557326 -13.46055214 1.173E-9 2.6229999999E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.3299999999E-7 0.0000016389999999 0.000003665 0.000008195 0.00001833 0.00004098 0.000091629999999 58-54-8 3278 144208300 A A Ethacrynic acid Clc1c(ccc(OCC(=O)O)c1Cl)C(=O)C(=C)CC Tox21_201102 -NCGC00258278-01 196716064 tox21-ror-cho-viability-p1 set2 4 3.04305669 -10.75499742 1.64009149 -0.34263851 0.06752768 -6.93345911 1.29767832 -0.01282486 -0.90720362 2.01556038 -0.11925371 -0.78779612 0.26605451 1.46110585 2.54963012 1.193E-9 2.6679999999E-9 5.9659999999E-9 1.3339999999E-8 2.9829999999E-8 6.67E-8 1.491E-7 3.335E-7 7.457E-7 0.000001668 0.0000037289999999 0.0000083379999999 0.00001864 0.000041689999999 0.000093219999999 67-72-1 6214 144207922 Hexachloroethane ClC(Cl)(Cl)C(Cl)(Cl)Cl Tox21_200724 -NCGC00257566-01 196716456 tox21-ror-cho-viability-p1 set2 4 0.01736512 0.44475981 0.19559417 -0.76148081 0.28598087 0.31509998 -0.64089315 5.01244837 4.10077757 4.77483318 0.01574867 0.09517527 1.37983723 4.37522428 6.98547592 1.177E-9 2.631E-9 5.884E-9 1.316E-8 2.942E-8 6.578E-8 1.471E-7 3.289E-7 7.354E-7 0.000001645 0.0000036769999999 0.000008223 0.00001839 0.00004111 0.00009193 124-10-7 31284 144207210 AC Fns Methyl tetradecanoate O=C(CCCCCCCCCCCCC)OC Tox21_200012 -NCGC00258227-01 196716469 tox21-ror-cho-viability-p1 set2 4 0.0019017069 10.504449052 -10.504449052 0 4.0449729863 0.4215077939 0.253284585 -9.17037421 -2.35193558 -0.25990765 1.34141862 2.08047052 0.42109942 0.73370831 2.34004824 -7.66909126 -0.41113477 -0.01837271 -4.47947034 -0.67850123 2.02732358 3.83066114 1.164E-9 2.6039999999E-9 5.822E-9 1.302E-8 2.911E-8 6.509E-8 1.4549999999E-7 3.255E-7 7.2769999999E-7 0.0000016269999999 0.000003639 0.000008136 0.00001819 0.00004068 0.000090969999999 634-90-2 12468 144207871 AC Ac 1,2,3,5-Tetrachlorobenzene Clc1cc(Cl)c(Cl)c(Cl)c1 Tox21_200673 -NCGC00189073-02 196725691 tox21-ror-cho-viability-p1 set3 4 14.9600854925 -22.491011304 -2.357921228 -24.848932532 0.5 0.6757998078 0.0499574398 -1.62232007 -9.67150198 -1.4489843 -2.51488311 -0.29826769 -0.86902587 -3.31025792 -6.27183356 -10.13100656 -8.73154845 -8.74406443 -4.02734856 -13.11178734 -13.59224002 -19.04077711 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 606143-52-6 10127622 170466898 A Selumetinib Brc3ccc(Nc1c(F)c2ncn(C)c2cc1C(=O)NOCCO)c(Cl)c3 Tox21_113362_1 -NCGC00166000-04 196725288 tox21-ror-cho-viability-p1 set3 4 23.7101376556 23.424926348 2.575073652 26 0.8999999999 0.4284769405 0.2444171332 -5.35410529 -2.9218762 14.25077653 -2.50832773 6.33402905 1.88660043 0.53141008 5.53695606 14.06824685 -4.56888643 2.62349685 6.13240739 9.19149 12.90307693 20.47649305 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66108-95-0 3730 170464962 A Iohexol OCC(O)CNC(=O)c1c(I)c(N(CC(O)CO)C(C)=O)c(I)c(c1I)C(=O)NCC(O)CO Tox21_112286_1 -NCGC00091125-07 196725695 tox21-ror-cho-viability-p1 set3 4 37.5780357627 -19.424894356 2 -17.424894356 4.9549173134 0.6503454971 0.0642925756 4.01256231 -1.01057398 -1.83665145 1.06345917 -1.71387485 1.28473034 3.03932992 1.23826891 2.27700253 9.25184897 1.89721254 3.93952115 0.13795321 2.81737675 -12.85407863 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 149-91-7 370 170465633 Ac Gallic acid Oc1cc(cc(O)c1O)C(=O)O Tox21_111089_1 -NCGC00164168-02 196725698 tox21-ror-cho-viability-p1 set3 4 1.23890716 0.73995852 7.46629874 13.1631489 6.32799281 1.06458102 1.3226188 7.43036251 -0.05035896 3.13819716 6.87482625 12.63599674 0.34106664 2.48151978 4.08338599 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00091073-07 196725704 tox21-ror-cho-viability-p1 set3 4 0.76542595 3.57388594 1.55195819 1.15690802 8.13881383 8.38150179 0.91798142 6.29326331 4.81129197 11.69592788 4.95418165 7.19129712 0.39652452 11.44643226 7.92354685 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 333-41-5 3017 170466153 A Diazinon Cc1cc(OP(=S)(OCC)OCC)nc(n1)C(C)C Tox21_111077_1 -NCGC00091830-04 196725706 tox21-ror-cho-viability-p1 set3 4 2.72726233 0.17284946 -0.66622098 -0.30140707 0.69293501 1.43239899 2.85987371 9.17543726 6.93739355 4.04796156 3.54318167 1.34043159 -0.13864542 -0.63954134 0.32309893 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00016352-07 196726102 tox21-ror-cho-viability-p1 set3 4 0.0029849295 11.2994863879 -13.2994863879 -2 0.6 0.4786327723 0.2166875329 -5.96854058 -12.74957199 -10.10611169 -4.97695112 -5.92692578 -1.42074134 -1.19889199 -3.28904294 -4.73837954 -4.4820885 -1.93460052 -6.73010715 0.1352446 -1.26500062 -7.13006377 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-09-7 2337 170465463 A Benzocaine Nc1ccc(cc1)C(=O)OCC Tox21_110391_1 -NCGC00164513-02 196726119 tox21-ror-cho-viability-p1 set3 4 2.74257827 -0.01538806 1.15231866 -1.55245109 2.78445094 1.88275893 -1.92171131 0.73247326 4.30320742 1.81602977 -0.76255447 0.85319853 2.10667474 2.12428013 1.32325998 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13898-58-3 10718 170466201 A Benzoylpas OC(=O)c1ccc(cc1O)NC(=O)c2ccccc2 Tox21_112148_1 -NCGC00187943-02 196726104 tox21-ror-cho-viability-p1 set3 4 -1.74657695 0 -4.04914329 -1.90116913 -2.7457798 -3.85950627 1.44559312 0.27616085 -3.8441469 -7.26609022 -2.37432346 -0.90569335 -6.58314411 -1.42057092 -8.06546371 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 147228-81-7 177843 170466423 A Benzyldimethyltetradecylammonium chloride dihydrate [Cl-].O.O.C[N+](C)(Cc1ccccc1)CCCCCCCCCCCCCC Tox21_112417_1 -NCGC00164164-02 196726109 tox21-ror-cho-viability-p1 set3 4 0.60094361 -2.4590357 3.48550105 -0.00204012 0.51214063 -2.58850144 -0.40020506 -6.87843244 -8.77036523 -12.15686921 0.69931915 0.7576698 -5.01449963 -0.28685645 -3.8876813 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00263480-01 196726113 tox21-ror-cho-viability-p1 set3 4 1.5043218 -0.56429809 -7.90923698 -1.70964728 -7.38734962 1.03403674 7.01830167 5.2633816 0.4340308 5.15935843 5.08533977 0.47518659 1.35562995 -10.75328565 0.99964968 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71-58-9 6279 170464622 A Medroxyprogesterone acetate CC(=O)[C@@]3(OC(C)=O)CC[C@H]2[C@@H]4C[C@H](C)C1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_111319_1 -NCGC00257332-01 196726517 tox21-ror-cho-viability-p1 set3 -2.1 40.3212779718 -83.18151472 -0.557690732 -83.739205452 4.5044702849 0.9306355126 0.0000489346 0.87681005 1.22039935 0.11011176 0.85374515 2.23825729 0.75959558 2.39257026 1.50338612 4.54423611 0.75380012 -16.95838664 -4.93638838 -0.6430334 -12.34783239 -71.03267121 7.579E-10 1.6949999999E-9 3.789E-9 8.473E-9 1.895E-8 4.2369999999E-8 9.4729999999E-8 2.1179999999E-7 4.737E-7 0.000001059 0.0000023679999999 0.000005296 0.00001184 0.00002648 0.00005921 68392-35-8 63062 144213959 I I 4-Hydroxytamoxifen Oc1ccc(cc1)C(c2ccc(OCCN(C)C)cc2)=C(CC)c3ccccc3 Tox21_303657 -NCGC00257425-01 196726522 tox21-ror-cho-viability-p1 set3 4 61.130564862 -13.7836024999 -1 -14.7836024999 2.4063783767 0.7025135084 0.0377619978 -0.26224303 -1.5178519 -2.97558994 -4.15509738 -1.04642894 -2.20856835 -3.0437178 -1.42173581 -0.8310078 1.71878882 2.38249854 0.43086077 -2.44454691 -4.74301668 -11.06966875 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17696-61-6 86607 144213885 A A sec-Butylparaben Oc1ccc(cc1)C(=O)OC(C)CC Tox21_303580 -NCGC00091278-03 196704906 tox21-ror-cho-viability-p1 set1 4 -0.98698902 -6.25030343 3.25580718 -0.43043174 -2.05626818 0.72614118 -0.19463937 2.63041399 -0.44126563 -3.64891772 1.27692625 0.05772188 -0.94321102 1.77016436 -0.43370832 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00242506-02 196704493 tox21-ror-cho-viability-p1 set1 -1.1 0.0668242473 -60.9584813295 1.198152088 -59.7603292415 0.8999999999 0.9847400371 9.9E-9 -1.48524905 -2.81744486 -0.3955916 -6.2776016 -4.17780085 -23.29490351 -31.63692925 -43.42942046 -46.15858862 -49.71106563 -58.6174214 -56.26322067 -59.33183114 -63.66697152 -59.87231741 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 179324-69-7 387447 170465087 C Bortezomib O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)B(O)O)c2cnccn2 Tox21_112672_1 -NCGC00178840-05 196704894 tox21-ror-cho-viability-p1 set1 4 1.30478173 -0.6900947 0.78566619 -2.00223098 -2.15190769 -3.99181307 0.52882349 0.01502234 -3.78693735 -5.97875249 -4.95729275 -2.02268015 -0.43177113 -2.53019907 -3.47561609 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 642-78-4 23675320 170465404 A Cloxacillin sodium [Na+].O=C([O-])[C@@H]3N4C(=O)[C@@H](NC(=O)c2c(C)onc2c1ccccc1Cl)[C@H]4SC3(C)C Tox21_110744_1 -NCGC00253754-01 196704905 tox21-ror-cho-viability-p1 set1 4 5.34089134 -2.72103284 3.70390521 1.07930097 2.97472925 1.90705538 -2.39951612 4.54220478 0.60603804 3.98717462 0.56732838 1.57699102 0.66806195 2.28850772 6.56796857 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64486-18-6 5858790 170466689 A C (2Z)-{2-[(Chloroacetyl)amino]-1,3-thiazol-4-yl}(methoxyimino)acetic acid O=C(Nc1nc(cs1)\C(=N\OC)C(=O)O)CCl Tox21_113869 -NCGC00248247-02 196705300 tox21-ror-cho-viability-p1 set1 4 5.2523875 -3.26960514 0.91552245 -0.48232218 -0.49506335 6.90921487 0.83461871 4.77328305 2.76392587 1.03521323 2.58658096 0.14448824 3.24880075 3.063224 0.89982214 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 624-48-6 5271565 170466784 F A Dimethyl maleate COC(=O)/C=C\C(=O)OC Tox21_113653 -NCGC00163179-03 196705313 tox21-ror-cho-viability-p1 set1 4 3.1620815 0.46683468 0.07728739 0.92590118 -0.41751225 1.13516599 1.30531577 5.3852541 0.33666312 1.20558274 -0.59405605 0.42398539 0.71773842 1.11530983 1.03708062 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 96744-75-1 105104 170466866 A U-69593 O=C(Cc1ccccc1)N(C)[C@H]2CC[C@]4(C[C@@H]2N3CCCC3)CCCO4 Tox21_112026_1 -NCGC00356984-01 196703249 tox21-ror-cho-viability-p1 set1 -2.1 10.5909294584 -117.2509300405 -3.99642209 -121.2473521305 0.9999999999 0.9707190736 4.226E-7 -0.00882004 0.97402545 -0.21992712 -0.20046577 -4.70887005 -7.7740064 -9.31184518 -4.05297888 -12.23197998 -22.57244615 -21.76594641 -27.31433971 -59.1641511 -89.79130579 -93.99019545 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 18015-76-4 9888276 251919880 F C.I. Basic Green 4 oxalate (1:x) C/[N+](C)=C1/C=C/C(C=C1)=C(/c2ccccc2)c3ccc(cc3)N(C)C.[O-]C(=O)C(=O)O Tox21_303916 -NCGC00258168-01 196702842 tox21-ror-cho-viability-p1 set1 4 30.5444110439 10.7266152961 0.2733847039 11 1.55794881 0.7315286111 0.0260221286 0.03993999 1.82036483 -1.0086501 5.14231627 -0.30223381 -1.35309272 -1.00139727 -0.02761388 1.18288434 0.54865395 -1.43884608 1.18923473 5.01099836 5.82837775 9.85513973 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.3529999999E-7 0.0000016439999999 0.0000036769999999 0.000008221 0.000018379999999 0.00004111 0.00009192 330671-29-9 53316409 144207812 A A 1-Butyl-1-methylpyrrolidinium hexafluorophosphate CCCC[N+]1(C)CCCC1.F[P-](F)(F)(F)(F)F Tox21_200614 -NCGC00258176-01 196702850 tox21-ror-cho-viability-p1 set1 4 64.1892438174 19.4149475079 -1.9149475079 17.5 3.6772481694 0.7624780981 0.0161055211 -0.98713054 -1.21568519 -2.99571128 -2.3330699 -1.8555581 -7.84578959 -5.48023179 -2.96005952 -1.679713 -1.79499671 1.36116221 -0.43777523 1.80946705 1.49826284 14.01515435 1.229E-9 2.7469999999E-9 6.143E-9 1.374E-8 3.072E-8 6.868E-8 1.5359999999E-7 3.4339999999E-7 7.679E-7 0.000001717 0.000003839 0.000008585 0.0000192 0.00004293 0.00009599 625-48-9 12252 144207820 A 2-Nitroethanol [O-][N+](=O)CCO Tox21_200622 -NCGC00091284-03 196702855 tox21-ror-cho-viability-p1 set1 4 6.7672873 2.94528538 -1.07851087 1.64493785 0.04656843 2.19376238 3.56272925 0.39030576 2.86021378 0.90946527 2.30963558 2.96720852 4.48477737 0.19943041 4.22481547 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00356964-01 196703256 tox21-ror-cho-viability-p1 set1 4 34.3762428541 11.5937850039 -7.5937850039 4 1.59358881 0.3213205305 0.3479261867 -5.00085556 -0.21423547 -6.39333799 -5.92473334 0.24336772 -13.82815417 -6.24333005 -12.51043138 -11.69187117 -9.80801809 -12.76486561 -3.02477239 -4.34873351 -1.61650808 2.81066354 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 506-68-3 10476 251919646 Cyanogen bromide BrC#N Tox21_303779 -NCGC00260341-01 196703259 tox21-ror-cho-viability-p1 set1 -2.1 27.5561300424 -103.2695491244 -0.341124682 -103.6106738064 0.9999999999 0.9173253887 0.0001222952 0.26572473 0.66478438 0.33581394 0.79993122 1.7833895 1.61849643 -2.3197112 2.47543774 -0.11699292 -13.74721877 -17.81203791 -37.51728132 -26.41120228 -52.51261762 -95.93580908 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.000092909999999 921-03-9 13530 144209993 F F 1,1,3-Trichloropropanone ClC(Cl)C(=O)CCl Tox21_202795 -NCGC00357223-01 196703065 tox21-ror-cho-viability-p1 set1 4 -0.42677954 -0.40946716 0.59536427 -0.06517507 -0.37865216 -0.52318624 0.7225672 -1.00024155 -0.48512176 5.41171972 -0.94440078 -0.25497508 -0.73523497 0.66739248 0.94565409 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 615-13-4 11983 251919919 Bc 1,3-Dihydro-2H-inden-2-one O=C1Cc2ccccc2C1 Tox21_304008 -NCGC00258438-01 196702654 tox21-ror-cho-viability-p1 set1 4 34.166596305 16.9657226039 -0.9657226039 16 2.4063783767 0.8039178017 0.0073776812 0.29057294 0.9993061 -2.13647054 -1.58714489 0.02381559 0.91161466 0.85189586 -7.88810217 1.08803158 -2.47340494 -1.00056305 0.75622603 1.79424463 8.50602277 14.98247807 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 55268-75-2 41375 144208082 A A Cefuroxime CO\N=C(\c1ccco1)C(=O)N[C@@H]3C(=O)N2C(=C(COC(N)=O)CS[C@@H]23)C(=O)O Tox21_200884 -NCGC00090708-05 196702656 tox21-ror-cho-viability-p1 set1 -1.2 6.8589621897 -34.0307934633 -3.264131407 -37.2949248703 2.7202212143 0.9153340457 0.0001384098 -2.35900972 -2.00841093 -5.67771832 -3.96955155 -2.71919935 3.06326733 -7.56788059 -4.47595104 -2.18055393 -4.75367027 -10.37012746 -20.31089294 -44.57804674 -38.31062638 -29.04599463 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00257770-01 196702663 tox21-ror-cho-viability-p1 set1 4 42.4861476153 9.74430094 0.25569906 10 1.692447691 0.4150774358 0.259516804 0.18417377 0.06822761 0.73968998 0.78744061 1.61719637 -2.82522808 0.56887443 -1.80251648 8.01669347 -4.78691745 0.15853021 -0.58828768 3.97949698 3.91366189 8.66126511 1.162E-9 2.599E-9 5.811E-9 1.299E-8 2.905E-8 6.4969999999E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.000003632 0.000008121 0.00001816 0.0000406 0.00009079 108-18-9 7912 144207414 FNS Diisopropylamine CC(C)NC(C)C Tox21_200216 -NCGC00255545-01 196700603 tox21-ror-cho-viability-p1 set1 4 1.34722545 2.18616704 0.81508115 0.1188828 5.99864179 -5.05774258 0.61302477 3.3102471 0.47669173 1.0251285 2.84571639 2.39102527 1.73887692 5.67241603 0.64948293 1.2589999999E-9 2.8149999999E-9 6.294E-9 1.4069999999E-8 3.1469999999E-8 7.037E-8 1.5729999999E-7 3.5179999999E-7 7.8669999999E-7 0.0000017589999999 0.000003934 0.0000087959999999 0.00001967 0.000043979999999 0.00009834 8004-92-0 24671 144212408 F C.I. Acid Yellow 3 disodium salt [Na+].[Na+].[O-]S(=O)(=O)c1cc(cc2ccc(nc12)C4C(=O)c3ccccc3C4=O)S([O-])(=O)=O Tox21_302091 -NCGC00257542-01 196700184 tox21-ror-cho-viability-p1 set1 4 0.70907407 2.37729424 0.56357191 0 2.73190833 2.45519686 2.24737606 2.15251523 0.16743914 5.16075084 -0.01839999 0.92408228 1.22807402 1.30261919 2.36350923 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7681-11-0 4875 144211610 Potassium iodide [K+].[I-] Tox21_301293 -NCGC00255668-01 196700200 tox21-ror-cho-viability-p1 set1 4 -0.15190002 -0.61717005 0.30640485 -2.72194682 -1.46388525 1.04378702 0.77914106 0.41110655 -0.62981081 6.59799669 -0.58685541 0.49095867 -0.19953369 0.52658987 0.20280769 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76-49-3 442460 144212050 A Ac Bornyl acetate CC(=O)O[C@@H]1CC2CCC1(C)C2(C)C Tox21_301733 -NCGC00255406-01 196700203 tox21-ror-cho-viability-p1 set1 4 0.9991949 -0.945117 0.88801426 -2.43582652 -5.87643815 -2.81457959 -3.37378195 0.74891357 -4.7962527 -1.27363007 0.27273178 -1.19458562 -0.64685492 -0.62078791 -1.94331476 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 557-48-2 6428555 144212143 F F trans-2,cis-6-Nonadienal CCCC\C=C\C=C/C=O Tox21_301826 -NCGC00255511-01 196700607 tox21-ror-cho-viability-p1 set1 4 30.6378586933 -37.623312452 0 -37.623312452 0.5999999999 0.6613407426 0.0574605561 2.32562664 0.59505827 0.38734974 -7.88785487 -8.09358712 10.21868521 -7.28220753 3.39074061 -1.10201205 -0.41147721 -16.59318564 -12.90326915 -15.63430375 -13.49877972 -29.68609371 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 29091-05-2 34468 144212538 A A Dinitramine CCN(CC)c1c(cc(c(N)c1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Tox21_302221 -NCGC00255220-01 196701011 tox21-ror-cho-viability-p1 set1 4 1.05621675 1.16917511 2.92354684 3.98272672 6.65455763 6.08012337 3.43738193 -6.33685675 2.23735532 -1.92523983 4.01478659 1.51860946 0.85625969 5.89080154 6.80127654 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-39-6 60976 144212124 A A Metepa CC1CN1P(=O)(N2CC2C)N3CC3C Tox21_301807 -NCGC00090702-02 196701012 tox21-ror-cho-viability-p1 set1 4 3.0637858693 7.151904208 -8.651904208 -1.5 1.0999999999 0.3624287507 0.3090767785 -5.44490255 -4.84175754 -10.14812575 -10.13848205 -5.89119648 -10.71551068 -11.37658684 -10.96222728 -7.80727465 1.17864057 -10.27841193 -5.32217413 3.16783957 -4.02463453 -1.98968067 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00091586-02 196701019 tox21-ror-cho-viability-p1 set1 4 -1.49904689 -4.75807991 -1.58803343 -0.68498138 -2.00164158 -0.09711103 -1.06198043 -0.99785729 4.43105226 2.10578741 1.44600723 -2.73468896 2.883465 1.0043074 -8.52636835 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00256138-01 196701022 tox21-ror-cho-viability-p1 set1 4 -0.52583631 -0.11774939 0.75975898 -0.02685175 0.05459257 0.37520038 0.79465712 0.55801027 0.1958659 -0.15382356 -0.24929076 -0.13405124 2.23910657 0.63408653 4.83570796 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 682-09-7 61196 144211979 A A 2,2-Bis[(prop-2-en-1-yloxy)methyl]butan-1-ol C=CCOCC(COCC=C)(CC)CO Tox21_301662 -NCGC00091902-08 196727356 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -23.350052236 1.5 -21.850052236 3.6772481694 0.8374496175 0.0032698278 1.18544524 1.34314715 2.09353516 3.89901926 3.46648268 2.24425101 0.52646625 -1.44326667 3.40751409 4.5554219 0.82322539 3.1816178 -3.26915408 -1.01751819 -16.12504353 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00258513-01 196730514 tox21-ror-cho-viability-p1 set3 4 -7.46501213 -3.68488683 -14.94068554 -14.2354585 -9.82364825 -28.88514183 -29.98148421 -3.42798076 -5.4864303 -1.56856283 -5.69068427 -7.88058324 -10.91638455 -6.53375133 -9.5787885 1.164E-9 2.603E-9 5.8199999999E-9 1.301E-8 2.91E-8 6.506E-8 1.4549999999E-7 3.253E-7 7.274E-7 0.0000016269999999 0.0000036369999999 0.0000081329999999 0.00001819 0.00004067 0.00009093 110-86-1 1049 144208158 FC Pyridine c1ccccn1 Tox21_200960 -NCGC00257845-01 196730524 tox21-ror-cho-viability-p1 set3 4 0.5437187985 -12.9683414 -0.5 -13.4683414 3.2974983358 0.6502531778 0.0639140666 -0.637233 1.24361367 0.90413325 0.83520575 -0.04029001 -2.92997415 -2.86939178 -3.68283307 -7.8265858 -21.6402845 -21.15189241 -1.43896909 -13.32625105 -11.26762415 -13.65351634 1.1779999999E-9 2.635E-9 5.891E-9 1.3169999999E-8 2.9459999999E-8 6.587E-8 1.4729999999E-7 3.2929999999E-7 7.364E-7 0.0000016469999999 0.0000036819999999 0.000008233 0.000018409999999 0.00004117 0.000092049999999 130-26-7 2788 144207489 A A Clioquinol Oc1c(I)cc(Cl)c2cccnc12 Tox21_200291 -NCGC00256953-01 196726950 tox21-ror-cho-viability-p1 set3 4 -1.19709494 -0.61517324 -3.44854687 -0.500604 -2.22377362 -0.6222888 -6.68204309 -27.78887111 -5.35189282 -2.56654644 0 -1.3314813 -3.98472901 0.57264056 1.6266048 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 552-30-7 11089 144213434 Z A Trimellitic anhydride O=C(O)c1ccc2C(=O)OC(=O)c2c1 Tox21_303117 -NCGC00090910-03 196726952 tox21-ror-cho-viability-p1 set3 4 -1.63722261 -2.86305997 -1.57943349 -0.66155779 0.2710257 -3.03774456 0.06074207 3.92348132 5.10711801 3.73571234 3.26364702 -1.30635264 -0.20900604 5.74456448 -4.21272598 1.227E-9 2.7439999999E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008574 0.00001917 0.000042869999999 0.00009586 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00256689-01 196727351 tox21-ror-cho-viability-p1 set3 4 0.35464719 -6.24504718 -1.37711032 -2.1919551 0 -25.53649585 -4.91225649 -4.70111088 -3.64785086 -1.20054715 -2.94418356 -9.52565607 -0.67939507 -0.19696069 -0.09113828 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6359-82-6 23675339 144212913 Fns Fns Acid Yellow 11 [Na+].[O-]S(=O)(=O)c1ccc(cc1)N3N=C(C)C(\N=N/c2ccccc2)C3=O Tox21_302596 -NCGC00257230-01 196727365 tox21-ror-cho-viability-p1 set3 4 4.4385101 1.66021433 1.16671773 -4.45215695 0.01678683 -0.32296675 -2.10410249 -3.8817479 -12.94665193 -2.57511704 -4.68961967 7.61863198 0.67939333 0.39026227 1.5718419 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 999-97-3 13838 144213598 Fns Hexamethyldisilazane C[Si](C)(C)N[Si](C)(C)C Tox21_303281 -NCGC00257270-01 196727371 tox21-ror-cho-viability-p1 set3 4 -0.74002033 3.41064053 0.28848802 -5.55785967 -7.04606093 3.26123491 0.89078978 -23.4271387 -14.89217434 -20.89428868 -23.06933157 1.70043129 1.87298503 0.24008073 2.27987493 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66-25-1 6184 144213659 F Hexanal CCCCCC=O Tox21_303342 -NCGC00257080-01 196727782 tox21-ror-cho-viability-p1 set3 4 -1.62037797 2.16951 3.21756715 1.63877198 0.37942808 0.83937308 -0.22968043 -1.52292495 -1.15838661 0.89325773 -1.67632501 1.14268735 0.37902417 0.72935152 2.51255722 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 122-52-1 31215 144213400 F F Triethyl phosphite CCOP(OCC)OCC Tox21_303083 -NCGC00256659-01 196727783 tox21-ror-cho-viability-p1 set3 4 -6.87322313 2.18342506 -0.50439101 -11.16823805 -14.8413745 0 0 0 0 -4.47925526 0 -11.95058756 -8.37019417 0.6927889 2.46181891 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.2869999999E-7 7.351E-7 0.0000016439999999 0.0000036749999999 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 140923-17-7 10958189 144213938 A A Iprovalicarb CC(C)[C@H](NC(=O)OC(C)C)C(=O)NC(C)c1ccc(C)cc1 Tox21_303633 -NCGC00257049-01 196727789 tox21-ror-cho-viability-p1 set3 4 -0.19787296 -0.31989935 3.94626009 4.96849052 4.34491801 4.31846814 0.28885329 5.05628335 4.97495423 7.26043062 0.63553467 3.1161315 2.09132876 5.19502237 4.53074722 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2050-47-7 16305 144213479 A A 4,4'-Dibromodiphenyl ether Brc2ccc(Oc1ccc(Br)cc1)cc2 Tox21_303162 -NCGC00091657-02 196727793 tox21-ror-cho-viability-p1 set3 4 7.6958821542 6.03459456 -0.53459456 5.5 4.9549173134 0.5664159516 0.1399873224 2.41288265 -1.16737587 -3.12208088 -0.48877957 -0.29910046 1.01850552 -5.0288288 1.06030022 -0.57736552 1.4782111 -2.23408352 3.16943445 6.52648458 4.09027577 1.96041378 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00253726-01 196717727 tox21-ror-cho-viability-p1 set2 4 -0.99057707 -0.20087247 -1.05306864 1.65786156 0.4108974 2.76830133 0.68608243 -0.12920921 0.29279898 -1.15001016 -0.26685872 2.13370206 1.31041108 2.18761834 0.56015266 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21228-13-7 30530 170466641 A F Dorastine Cc1ccc(cn1)CCn3c4ccc(Cl)cc4c2CN(C)CCc23 Tox21_113845 -NCGC00159441-03 196717725 tox21-ror-cho-viability-p1 set2 4 2.55884388 2.95004091 1.87473289 1.43057673 4.4679072 3.12585859 4.66947859 3.90209078 0.14608162 3.73397903 1.40424129 0.12078339 -2.05634793 -0.11895209 0.28395175 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17598-65-1 28620 170465236 A Deslanoside O=C1C=C(CO1)[C@H]2CC[C@@]9(O)[C@]2(C)[C@H](O)C[C@H]4[C@H]9CC[C@@H]3C[C@H](CC[C@@]34C)O[C@@H]8O[C@H](C)[C@@H](O[C@@H]7O[C@H](C)[C@@H](O[C@@H]6O[C@H](C)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)C6)[C@@H](O)C7)[C@@H](O)C8 Tox21_111671_1 -NCGC00015730-11 196717728 tox21-ror-cho-viability-p1 set2 4 -1.20898705 -1.29506385 4.46045981 4.4978037 0.34554199 0.00731361 4.20116495 3.54932368 1.88462448 -0.86252828 1.16774154 0.09566875 -2.0627746 3.80034565 -1.3230236 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 114-80-7 8246 170465765 F Neostigmine bromide [Br-].O=C(Oc1cccc(c1)[N+](C)(C)C)N(C)C Tox21_112037_1 -NCGC00090858-02 196718125 tox21-ror-cho-viability-p1 set2 4 1.42960071 -0.71999545 0.81656363 4.21942907 1.44088401 1.12942472 0.84006309 2.97846737 2.11298801 -6.9941813 1.24789557 0.86505027 2.25392617 0.51445328 2.20703116 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00258293-01 196716084 tox21-ror-cho-viability-p1 set2 4 2.48807016 2.46315806 2.09780679 1.19643511 2.02167027 2.07175323 0.92853102 0.79686814 0.49410673 -1.05964044 0.8825747 0.46208967 1.7478038 -1.16107988 1.36067539 1.154E-9 2.5799999999E-9 5.7689999999E-9 1.29E-8 2.884E-8 6.45E-8 1.4419999999E-7 3.225E-7 7.211E-7 0.000001612 0.000003606 0.0000080619999999 0.00001803 0.00004031 0.00009014 503-30-0 10423 144207937 FNS 1,3-Propylene oxide C1CCO1 Tox21_200739 -NCGC00254932-01 196715253 tox21-ror-cho-viability-p1 set2 4 0.91049623 -4.59792463 0.53921223 -0.10527276 0.52891547 -0.25498312 0.38491111 -15.81530792 -1.04402805 -6.71268222 1.4174455 0.63612356 2.81554614 -0.30795243 -0.37236498 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 717-74-8 12860 144211347 A Ac 1,3,5-Triisopropylbenzene CC(C)c1cc(cc(c1)C(C)C)C(C)C Tox21_301030 -NCGC00258591-01 196716067 tox21-ror-cho-viability-p1 set2 4 0.99362392 2.18694252 0.0240205 0.90850275 0.32447611 -0.59628536 3.14066282 2.59104949 -0.37673321 -3.4958802 2.16135187 -6.48939816 0.1796713 -0.28029885 -2.79381672 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.9279999999E-8 6.5479999999E-8 1.464E-7 3.274E-7 7.3209999999E-7 0.000001637 0.00000366 0.000008185 0.0000183 0.000040929999999 0.00009151 622-20-8 69317 144208236 A A 1,2-Bis(phenylthio)ethane C(CSc1ccccc1)Sc2ccccc2 Tox21_201038 -NCGC00257717-01 196716068 tox21-ror-cho-viability-p1 set2 4 2.20088365 4.15353731 -0.74772028 -1.14451307 3.12813261 2.11898354 0.67212772 -0.06731258 3.2079583 0.98282568 -0.97283758 -0.56516646 0.251414 2.97400687 -0.81964832 1.2049999999E-9 2.695E-9 6.0249999999E-9 1.347E-8 3.013E-8 6.736E-8 1.506E-7 3.368E-7 7.5309999999E-7 0.0000016839999999 0.000003766 0.0000084199999999 0.000018829999999 0.0000421 0.000094139999999 628-13-7 10176127 144207361 A D Pyridine hydrochloride Cl.c1ccccn1 Tox21_200163 -NCGC00257988-01 196716089 tox21-ror-cho-viability-p1 set2 4 0.36834613 3.83546819 -1.56458311 -0.43784045 3.5856805 -0.95838167 -14.0302783 3.37262768 0.54393304 3.16537458 1.77253433 2.50456507 3.14041391 0.88459389 1.93275034 1.1679999999E-9 2.612E-9 5.8409999999E-9 1.3059999999E-8 2.9209999999E-8 6.531E-8 1.4599999999E-7 3.265E-7 7.3019999999E-7 0.0000016329999999 0.0000036509999999 0.000008164 0.00001825 0.00004082 0.00009127 105-56-6 7764 144207632 A A Ethyl cyanoacetate N#CCC(=O)OCC Tox21_200434 -NCGC00257867-01 196716485 tox21-ror-cho-viability-p1 set2 4 -1.15317193 -2.47857309 -1.74074628 0.55323468 -2.79241048 -0.73612269 -2.14142877 -1.5265099 0.68931826 0.79327903 -0.34694961 -0.2002184 -4.17693684 -7.65194477 -2.38145288 1.216E-9 2.72E-9 6.0809999999E-9 1.36E-8 3.041E-8 6.7989999999E-8 1.5199999999E-7 3.4E-7 7.6019999999E-7 0.0000016999999999 0.000003801 0.000008499 0.000018999999999 0.000042499999999 0.00009502 3569-10-6 6440940 144207511 B A Valerenic acid O=C(O)C(\C)=C\[C@@H]1CC[C@@H](C)[C@H]2CCC(C)=C12 Tox21_200313 -NCGC00257028-01 196707181 tox21-ror-cho-viability-p1 set1 4 -10.00042233 -9.95472937 -1.05223273 -1.15234093 -3.89053502 -1.55493104 -1.40364756 -7.03823648 -11.5175378 -5.76821574 -14.53324907 -19.78123539 -6.37133778 -8.80734824 -1.33801105 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 3089-11-0 62479 144213450 D N,N,N',N',N'',N''-Hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine COCN(COC)c1nc(nc(n1)N(COC)COC)N(COC)COC Tox21_303133 -NCGC00259374-01 196706363 tox21-ror-cho-viability-p1 set1 4 0.0042530027 8.5622853039 -6.5622853039 2 4.5044702849 0.408196959 0.2818559414 -6.30190442 -5.97420995 0.15037078 2.60807829 1.61652508 -4.72438255 -2.31079864 1.4571411 4.38363616 10.52510257 0.1943804 -0.36258418 4.18462325 2.6648182 -2.56200723 1.163E-9 2.5999999999E-9 5.813E-9 1.2999999999E-8 2.9069999999E-8 6.5E-8 1.453E-7 3.25E-7 7.267E-7 0.000001625 0.0000036329999999 0.000008124 0.00001817 0.000040619999999 0.00009083 208-96-8 9161 144209023 AC Bc Acenaphthylene c1cc2cccc3C=Cc(c1)c23 Tox21_201825 -NCGC00259831-01 196706757 tox21-ror-cho-viability-p1 set1 4 4.82697368 -0.04717689 2.36681916 4.09795164 2.45149805 -2.98778158 0.71825823 3.06672075 -2.58213356 8.18231832 -4.05711593 0.24784068 3.10995609 3.04894058 2.94576069 1.2009999999E-9 2.6849999999E-9 6.0029999999E-9 1.3419999999E-8 3.002E-8 6.712E-8 1.501E-7 3.356E-7 7.5039999999E-7 0.0000016779999999 0.0000037519999999 0.00000839 0.00001876 0.00004195 0.000093799999999 4180-23-8 637563 144209480 A B (E)-Anethole COc1ccc(/C=C/C)cc1 Tox21_202282 -NCGC00091602-02 196706772 tox21-ror-cho-viability-p1 set1 4 -1.40301888 -5.16225334 0.51564599 3.96678628 2.39555681 -5.30459698 -2.4470269 -2.1032286 1.54868729 -2.88139476 1.55744051 1.48067527 0.55151954 1.26839742 -3.36721843 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00257445-01 196707184 tox21-ror-cho-viability-p1 set1 4 61.130564862 11.61249376 0.38750624 12 0.8999999999 0.4369696702 0.2392933689 0.14836781 -0.11758179 -3.8437448 1.94346501 1.94347315 -0.10741032 -2.13722738 7.28881262 0.38873288 0.51850983 0.15185772 0.8213071 4.77812937 3.5794586 8.39639372 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1477-55-0 15133 144213677 A F 1,3-Benzenedimethanamine NCc1cccc(CN)c1 Tox21_303362 -NCGC00257184-01 196707195 tox21-ror-cho-viability-p1 set1 4 -2.1166917 -2.28116209 -2.21207154 1.22179775 2.50774842 1.16650279 1.25553497 2.72809466 1.76298803 -1.0183402 1.42025983 3.04845715 -2.58154158 2.70262832 0.8576057 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 3290-92-4 18689 144213512 Ac Ac Trimethylolpropane trimethacrylate O=C(OCC(COC(=O)C(=C)C)(CC)COC(=O)C(=C)C)C(=C)C Tox21_303195 -NCGC00257464-01 196707196 tox21-ror-cho-viability-p1 set1 4 46.2962318827 16.03207794 0.96792206 17 3.1924983358 0.8142468823 0.0059633623 3.3491422 1.3840033 0.80579226 0.13511333 -0.86006495 0.005963 0.32412021 4.57729862 0.46219645 -0.06322837 0.87221358 2.17231811 1.95751838 3.20753946 12.50313473 7.726E-10 1.7279999999E-9 3.8629999999E-9 8.638E-9 1.932E-8 4.319E-8 9.658E-8 2.1599999999E-7 4.829E-7 0.00000108 0.0000024149999999 0.0000053989999999 0.00001207 0.000027 0.00006036 520-18-3 5280863 144213678 A A Kaempferol Oc1ccc(cc1)C=3Oc2cc(O)cc(O)c2C(=O)C=3O Tox21_303363 -NCGC00256923-01 196707197 tox21-ror-cho-viability-p1 set1 4 0.74270656 0.88350713 -0.71157579 0.48853716 1.26548457 2.0096552 0.95344477 -0.68383219 0.3041838 0.38307121 0.99105907 0.32313495 1.17674278 1.64615484 4.96246091 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-21-5 7742 144212993 A A 1,4-Heptanolide O=C1CCC(CCC)O1 Tox21_302676 -NCGC00259997-01 196708415 tox21-ror-cho-viability-p1 set2 4 -0.11390728 -1.2257582 -0.11599966 -2.97660013 -0.37979193 -3.08616967 -2.21718665 -1.47131156 -0.74518207 -5.28677296 -1.59946393 -0.28274932 -0.61625684 -3.96996017 -8.18422285 1.1609999999E-9 2.5959999999E-9 5.805E-9 1.298E-8 2.9019999999E-8 6.4899999999E-8 1.451E-7 3.245E-7 7.256E-7 0.000001622 0.000003628 0.000008112 0.00001814 0.00004056 0.0000907 110-94-1 743 144209646 A A Pentanedioic acid O=C(O)CCCC(=O)O Tox21_202448 -NCGC00095042-06 196711289 tox21-ror-cho-viability-p1 set2 4 0.0091023953 13.652992368 -2.152992368 11.5 0.7999999999 0.6776610728 0.0490997094 -0.12749364 0.78831118 3.94580309 5.94404112 7.85314724 8.54150585 13.72108167 8.75960397 10.99619217 6.64014715 11.53411197 9.26973962 12.34195609 9.51233852 19.32399324 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00260359-01 196711291 tox21-ror-cho-viability-p1 set2 4 3.8732896 1.87549346 2.69155928 6.34062981 4.59900884 6.89838618 1.48804236 11.49227704 10.62596498 6.95926709 5.31655856 6.8650985 10.55957305 2.50238114 3.70731239 1.212E-9 2.711E-9 6.061E-9 1.3549999999E-8 3.031E-8 6.7769999999E-8 1.515E-7 3.388E-7 7.576E-7 0.0000016939999999 0.0000037879999999 0.0000084709999999 0.00001894 0.00004235 0.000094709999999 203866-13-1 2756017 144210011 A A 1,2-Pyrrolidinedicarboxylicacid,4-fluoro-,1-(1,1-dimethylethyl)ester,(2S,4S)- CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(=O)O Tox21_202813 -NCGC00260094-01 196711292 tox21-ror-cho-viability-p1 set2 2.4 68.3804186691 18.866349284 1.133650716 20 0.8999999999 0.6859012165 0.0452531889 3.44611343 3.83092775 3.56181033 -0.95591697 -1.55529107 1.59110299 1.93312004 1.30976512 4.18562024 1.29625374 2.88385538 4.21958896 3.16543765 5.63588545 15.30656117 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.5809999999E-8 1.472E-7 3.291E-7 7.358E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.00004113 0.00009198 482-89-3 5318432 144209743 F F Indigo O=C3c4ccccc4N/C3=C2/Nc1ccccc1C2=O Tox21_202545 -NCGC00259219-01 196708398 tox21-ror-cho-viability-p1 set2 4 5.02543733 0.44721914 2.764678 0.86612245 4.27169794 4.15190689 4.50546527 -0.52816337 3.56843503 4.50759854 2.86944014 4.05934819 4.21520543 6.11330858 3.8533902 1.196E-9 2.6729999999E-9 5.978E-9 1.337E-8 2.989E-8 6.684E-8 1.494E-7 3.3419999999E-7 7.4719999999E-7 0.000001671 0.000003736 0.0000083539999999 0.000018679999999 0.00004177 0.000093409999999 107-87-9 7895 144208868 FNS 2-Pentanone CC(=O)CCC Tox21_201670 -NCGC00259948-01 196708408 tox21-ror-cho-viability-p1 set2 4 -1.76719521 -3.17217756 0.36022773 -1.88741314 -3.64832511 0.31620253 -0.15559666 -4.29404147 0.67394063 -4.16192505 0.63484772 -2.59360583 -3.0462159 -3.63769277 -0.36498554 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008241 0.000018429999999 0.00004121 0.00009214 111-76-2 8133 144209597 A A 2-Butoxyethanol CCCCOCCO Tox21_202399 -NCGC00258943-01 196708413 tox21-ror-cho-viability-p1 set2 4 0.21828783 2.74714859 3.0266623 1.92182135 1.25178254 -0.83533447 0.50285195 3.29685718 0.98032153 1.81025609 2.79359889 3.22511094 1.54864571 4.50532341 3.60900916 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.0000036889999999 0.000008248 0.00001844 0.00004124 0.00009222 1569-01-3 15286 144208590 A A 1-Propoxy-2-propanol CC(O)COCCC Tox21_201392 -NCGC00244579-01 196708821 tox21-ror-cho-viability-p1 set2 -2.2 61.130564862 -66.6308480715 1.2650246199 -65.3658234516 3.6272481694 0.9809070609 3.63E-8 3.28428054 0.79940079 3.88207695 0.66023078 -0.60536196 0.84064899 4.42109967 -3.09980582 -0.62882678 -0.31030309 2.92945767 0.45756966 0.32417428 -12.33899919 -52.92865413 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00259775-01 196708826 tox21-ror-cho-viability-p1 set2 4 4.30009041 0.4616571 -0.19984908 -1.84140938 -0.96340285 0.038192 0.6401868 0.058144 0.16897503 2.69980343 -1.31481538 2.51034267 0.70272561 0.53430103 4.43957034 1.211E-9 2.707E-9 6.054E-9 1.3539999999E-8 3.027E-8 6.768E-8 1.5129999999E-7 3.3839999999E-7 7.567E-7 0.0000016919999999 0.0000037839999999 0.00000846 0.00001892 0.0000423 0.00009459 120-12-7 8418 144209424 A Ac Anthracene c1ccc2cc3ccccc3cc2c1 Tox21_202226 -NCGC00091080-03 196708830 tox21-ror-cho-viability-p1 set2 4 -1.29195217 3.90158254 -2.14512067 2.46732338 -1.27263169 -1.63585707 2.67234266 -1.18585663 3.97701282 2.61530422 0.34756587 1.61954718 3.65298466 3.79062679 3.11777174 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00259400-01 196708831 tox21-ror-cho-viability-p1 set2 4 7.37986802 0.04372813 2.71328171 1.15721393 0.27977467 6.35235904 -1.17416156 2.95740163 -0.20832326 2.74685722 3.93538233 1.26226963 2.43139939 1.78872458 -0.46128985 1.1679999999E-9 2.6129999999E-9 5.8419999999E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.4599999999E-7 3.2659999999E-7 7.3019999999E-7 0.0000016329999999 0.0000036509999999 0.000008164 0.00001826 0.00004082 0.00009128 1143-38-0 2202 144209049 FC Anthralin Oc2cccc1Cc3cccc(O)c3C(=O)c12 Tox21_201851 -NCGC00259562-01 196709226 tox21-ror-cho-viability-p1 set2 4 3.27938447 -4.40509772 -10.44610615 -0.44477282 -1.91090742 -1.30985274 -2.05920779 -2.30017263 -2.04131534 -2.64174218 -1.7406018 -2.66785295 0.12235728 0.51200816 1.52208484 1.198E-9 2.679E-9 5.992E-9 1.34E-8 2.996E-8 6.6989999999E-8 1.4979999999E-7 3.3489999999E-7 7.4889999999E-7 0.000001675 0.000003745 0.000008373 0.000018719999999 0.00004187 0.00009362 3033-62-3 18204 144209211 A Ac Bis[2-(dimethylamino)ethyl]ether CN(C)CCOCCN(C)C Tox21_202013 -NCGC00095042-06 196721423 tox21-ror-cho-viability-p1 set3 4 32.2965172522 7.4255325159 -3.4255325159 4 4.9549173134 0.5295247586 0.1549587979 -6.60461043 -3.54871206 -5.86021337 0.31340028 -0.22766372 -3.97858495 -4.01301473 -2.04558728 -3.80128857 -0.12890771 -3.50695846 -4.8452158 -5.49410649 3.47268043 3.01137096 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00091602-02 196721416 tox21-ror-cho-viability-p1 set3 4 -3.51106148 -4.52996155 -2.07787715 -4.67678391 -6.66035244 -6.35674727 -3.17176488 -5.18094899 -7.04783224 -6.43334254 -3.45676312 -7.36310397 -7.78378029 -2.84722726 -2.75913085 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00160537-04 196721811 tox21-ror-cho-viability-p1 set3 4 -6.08010317 -7.11971353 4.04353775 -4.85689982 -5.11978144 -5.4660933 -7.89420246 -7.3956421 -7.88063877 -4.59844163 -5.7750202 -6.78785025 -7.17036008 3.10485557 -2.72400405 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00259472-01 196721817 tox21-ror-cho-viability-p1 set3 4 0.0577291319 -5.3509272439 -4.254177284 -9.6051045279 1.0999999999 0.3910612095 0.2996849474 -1.87848107 -9.20311129 -4.32853454 -3.25599899 -5.46608393 -6.14414206 -10.9599244 -10.08761204 -12.17092044 -6.30349252 -10.67605368 -11.17996454 -10.45193536 -4.25408793 3.6544292 1.363E-9 3.048E-9 6.8149999999E-9 1.524E-8 3.408E-8 7.62E-8 1.704E-7 3.81E-7 8.5189999999E-7 0.000001905 0.00000426 0.000009525 0.0000213 0.000047619999999 0.0001065 15708-41-5 27461 144209121 FNS Ethylenediaminetetraacetic acid ferric sodium salt [Fe+3].[Na+].[O-]C(=O)CN(CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O Tox21_201923 -NCGC00259793-01 196721819 tox21-ror-cho-viability-p1 set3 4 0.0138886147 12.3613847639 -6.3613847639 6 2.2526478767 0.7479617252 0.0261469637 -4.45248199 -7.80115397 -3.7774884 0.86392449 5.50405577 9.38608882 5.73015526 6.57392982 3.0010658 10.05658012 4.70539506 7.00421783 -0.9054904 7.84021355 -5.10996935 1.593E-9 3.5609999999E-9 7.963E-9 1.781E-8 3.982E-8 8.903E-8 1.991E-7 4.452E-7 9.9539999999E-7 0.000002226 0.000004977 0.00001113 0.00002488 0.000055639999999 0.0001244 13029-08-8 25622 144209442 A A 2,2'-Dichlorobiphenyl Clc2ccccc2c1ccccc1Cl Tox21_202244 -NCGC00259285-01 196721820 tox21-ror-cho-viability-p1 set3 4 60.8819825247 -17.474028504 -1.5 -18.974028504 3.5117481694 0.4325231427 0.2411155466 -5.38042171 2.00414215 0.71214908 8.54142564 -2.41061902 -8.73879165 -5.84738572 -7.09906188 -1.6295838 2.0032355 -1.80487583 1.76992533 -1.00042048 -5.10550019 -15.81169042 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.2869999999E-7 7.351E-7 0.0000016439999999 0.0000036749999999 0.000008218 0.000018379999999 0.00004109 0.00009188 2971-36-0 76302 144208934 A A 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane Oc1ccc(cc1)C(c2ccc(O)cc2)C(Cl)(Cl)Cl Tox21_201736 -NCGC00259947-01 196721822 tox21-ror-cho-viability-p1 set3 4 -7.24363925 -6.63597973 -1.04144285 0.87095426 -6.90052878 -7.3030674 -5.62793299 -6.35562569 -7.2835988 -3.79020672 -5.85880976 -7.02131648 -6.17777195 -5.96791594 -12.24498733 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 132-32-1 8588 144209596 A A 3-Amino-9-ethylcarbazole Nc2cc3c1ccccc1n(CC)c3cc2 Tox21_202398 -NCGC00259775-01 196721826 tox21-ror-cho-viability-p1 set3 4 17.773500543 9.0695847959 -8.0695847959 1 4.4494702849 0.3653888848 0.3055322402 -15.05798733 -8.72035943 -1.9464826 -1.90517444 -6.95503178 -9.44546859 -12.7430776 -7.93278725 -14.46401632 0.25398291 -11.64307142 -7.98155491 -2.75631661 1.06644313 0.61740443 1.211E-9 2.707E-9 6.054E-9 1.3539999999E-8 3.027E-8 6.768E-8 1.5129999999E-7 3.3839999999E-7 7.567E-7 0.0000016919999999 0.0000037839999999 0.00000846 0.00001892 0.0000423 0.00009459 120-12-7 8418 144209424 A Ac Anthracene c1ccc2cc3ccccc3cc2c1 Tox21_202226 -NCGC00164164-02 196722210 tox21-ror-cho-viability-p1 set3 4 30.6378586933 9.1436495759 -8.6231068759 0.5205427 2.4063783767 0.4602003054 0.2165308081 -10.55719765 -10.31660486 -8.38037175 -4.80448378 -4.37549136 -14.26925573 -7.3159795 -8.82073289 -9.56451238 -6.31888134 -9.05169758 -4.73302206 -9.69955547 -0.39954775 -0.90152545 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00091163-03 196722211 tox21-ror-cho-viability-p1 set3 4 -7.01158668 -3.88330622 0.88996088 1.35059332 -1.3631552 -5.41888266 0.05396659 -4.01058324 -4.11180732 -0.69258552 -0.50497609 -0.63159454 2.4230236 2.92545222 1.89686487 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00259868-01 196721429 tox21-ror-cho-viability-p1 set3 4 -1.83036287 -5.41324867 0.04388029 3.04937504 -1.97529976 -6.88764255 -5.01867752 -5.23005756 -7.94023535 -1.1800481 -3.136592 -6.54389155 -3.29717382 0.70486129 -20.12813223 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003667 0.000008201 0.00001834 0.000041 0.00009169 3252-43-5 18617 144209517 A Ac Dibromoacetonitrile BrC(Br)C#N Tox21_202319 -NCGC00256680-01 196726893 tox21-ror-cho-viability-p1 set3 4 -3.04903793 -21.46304219 0.7598016 -1.51959267 -2.39982091 -13.02922319 0 -4.37742309 -1.6991109 -0.82194709 0 -13.05042989 -5.84667654 0.20782289 -1.17460776 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21722-83-8 30771 144212769 A Ac 2-Cyclohexylethyl acetate CC(=O)OCCC1CCCCC1 Tox21_302452 -NCGC00164449-04 196726475 tox21-ror-cho-viability-p1 set3 4 -2.5168153 3.84283217 0.8624758 3.36983061 2.26452195 1.2567391 6.41296428 1.6617738 4.45446696 4.46120955 2.06863302 5.01313028 3.31426369 2.98556845 0.1321321 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00257107-01 196726881 tox21-ror-cho-viability-p1 set3 -2.2 61.130564862 -60.0017357398 0.7553368799 -59.2463988599 2.6384283767 0.9887811293 1.6E-9 0.39568435 1.50353758 1.93359728 -0.9200416 0.72364216 0.06661402 -1.26720412 1.68430202 0.47948946 2.5629957 2.45209589 -1.81094572 -2.55463422 -14.79561476 -44.8836355 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25152-84-5 5283349 144213482 F Fns (E,E)-2,4-Decadienal CCCCC\C=C\C=C\C=O Tox21_303165 -NCGC00256362-01 196726888 tox21-ror-cho-viability-p1 set3 4 0.0611305649 5.2597991879 -5.7597991879 -0.5 2.2526478767 0.4234577132 0.2511599263 -3.7163965 -5.25657537 -13.13316599 0 -5.55789359 -3.79800218 -0.09221519 0 0 0 0 0.57039702 -3.79770155 2.82454363 -2.51274448 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-29-3 6837 144213171 A A Diphenylacetonitrile N#CC(c1ccccc1)c2ccccc2 Tox21_302854 -NCGC00256875-01 196726894 tox21-ror-cho-viability-p1 set3 4 3.26781246 0.49121897 0.58553032 -0.90182878 2.23455701 2.87920962 -2.13810023 -0.26505271 3.15916318 3.41877203 1.84682591 2.8771478 2.71642609 -0.34881485 2.56426529 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-86-2 5282109 144212862 C Bc (2E)-3,7-Dimethylocta-2,6-dien-1-yl formate C\C(C)=C\CCC(\C)=C\COC=O Tox21_302545 -NCGC00257325-01 196727302 tox21-ror-cho-viability-p1 set3 4 -0.12928076 1.9827521 2.27729386 1.03755386 2.57141259 -0.70487836 2.19683446 -0.90623401 -0.70358433 -12.98766454 -0.31890399 0.00578489 -0.11685761 2.99668468 0.30904686 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3452-97-9 18938 144213905 A A 3,5,5-Trimethyl-1-hexanol CC(C)(C)CC(C)CCO Tox21_303600 -NCGC00091759-02 196727303 tox21-ror-cho-viability-p1 set3 4 4.48256884 1.15268125 2.14721514 2.18253928 2.80037251 1.49955935 1.512454 -1.68922215 3.56157603 -0.55731823 -1.63149504 -2.11339535 0.19582173 1.50760714 -3.59483137 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00257273-01 196727306 tox21-ror-cho-viability-p1 set3 4 -2.8694664 0.48782496 -1.03379264 -1.02941515 1.42377948 -0.45988066 1.17221548 1.73767919 -1.21027236 -0.75442929 -13.37605799 -0.63719135 1.57043868 -7.29184381 -0.80977373 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131-16-8 8559 144213692 A A Dipropyl phthalate O=C(OCCC)c1ccccc1C(=O)OCCC Tox21_303379 -NCGC00090986-03 196727311 tox21-ror-cho-viability-p1 set3 4 69.008347349 -26.747799852 1.5 -25.247799852 4.5044702849 0.8748839289 0.0009708502 3.49394365 3.38038165 3.59309871 0.70088528 1.43795425 2.08424649 -2.59562059 0.79992274 3.95511196 4.18756383 1.59879809 0.81314899 -2.68257159 -0.52227211 -19.78983321 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.000041429999999 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00257488-01 196727316 tox21-ror-cho-viability-p1 set3 4 1.93773335 1.01358518 0.68523692 -0.73713515 -5.0274942 -3.49606552 -5.32246071 -3.40673069 -3.34676041 0.70919358 -0.49325793 1.10118451 -0.46629216 2.06019338 1.6995934 1.1689999999E-9 2.614E-9 5.845E-9 1.3069999999E-8 2.9229999999E-8 6.535E-8 1.461E-7 3.268E-7 7.3069999999E-7 0.0000016339999999 0.000003653 0.000008169 0.00001827 0.00004085 0.00009134 4065-45-6 19988 144213779 A A Sulisobenzone OS(=O)(=O)c1cc(c(O)cc1OC)C(=O)c2ccccc2 Tox21_303469 -NCGC00256373-01 196727716 tox21-ror-cho-viability-p1 set3 4 -18.3654423 3.1186866 -18.00240578 -4.9300468 0 -16.74983478 0 -1.60643059 -0.45080662 0 0 -14.41740217 -13.59087995 -7.97426508 -5.5973238 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-57-7 6849 144213076 A A 1-Nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 Tox21_302759 -NCGC00255809-01 196728555 tox21-ror-cho-viability-p1 set3 4 3.43341263 -4.92562964 1.65676416 0.48330997 -0.10988638 -1.00921407 1.62297591 -1.81022269 -1.32276121 -2.03223451 -0.57633778 -5.8040946 -0.15642057 2.2411668 1.89528119 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4420-74-0 20473 144212494 F Fns 3-Mercaptopropyltrimethoxysilane CO[Si](CCCS)(OC)OC Tox21_302177 -NCGC00255990-01 196728556 tox21-ror-cho-viability-p1 set3 4 -1.52896185 -4.22478081 -1.4953629 -5.28952536 -1.95768468 -4.02400521 0.22694097 -11.9171394 -0.85839679 -7.77580234 -15.0511632 7.2749957 -0.67599024 -0.41893554 -6.90482075 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1126-78-9 14310 144212385 A F N-Butylaniline CCCCNc1ccccc1 Tox21_302068 -NCGC00258413-01 196715816 tox21-ror-cho-viability-p1 set2 4 -0.21214836 2.12182379 0.39185194 1.46075137 -1.19612336 -1.68803925 -1.71125888 0.77883035 2.14613407 -0.29177237 0.20747626 0.1393459 0.43610645 -3.19170904 -5.93773044 1.1919999999E-9 2.6659999999E-9 5.96E-9 1.333E-8 2.98E-8 6.664E-8 1.49E-7 3.332E-7 7.45E-7 0.0000016659999999 0.000003725 0.00000833 0.00001863 0.000041649999999 0.00009313 118-29-6 8354 144208057 AC 2-(Hydroxymethyl)-1H-Isoindole-1,3(2H)-dione O=C2c1ccccc1C(=O)N2CO Tox21_200859 -NCGC00163927-04 196715405 tox21-ror-cho-viability-p1 set2 4 2.86534225 7.45129915 4.05656894 0.56305568 0.8089427 2.15037365 2.31959585 3.79438678 3.76858056 0.04766988 3.96562726 2.01378271 0.78054685 -2.05657873 -0.76888053 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00258561-01 196715411 tox21-ror-cho-viability-p1 set2 4 -3.42137396 -0.07833588 -5.00346128 2.82870697 0.20415577 -4.53721867 0.33704319 -2.46630579 -1.9313747 -1.4974116 -2.82190795 -0.1551473 -2.20312704 0.44649231 0.3744228 1.1689999999E-9 2.6129999999E-9 5.844E-9 1.3069999999E-8 2.922E-8 6.5339999999E-8 1.461E-7 3.267E-7 7.305E-7 0.0000016329999999 0.000003652 0.000008167 0.00001826 0.000040829999999 0.000091309999999 120-37-6 8428 144208206 A D 3-Ethylamino-4-methylphenol Oc1ccc(C)c(NCC)c1 Tox21_201008 -NCGC00257654-01 196715806 tox21-ror-cho-viability-p1 set2 -2.2 61.25491928 -41.7521273892 -2.5 -44.2521273892 2.7202212143 0.9568019591 0.0000037724 1.14769949 -0.60431472 -0.10931318 -2.77906135 -1.18180791 -2.24397323 -4.40228727 -4.05732271 -4.21779407 -4.48070097 -4.22857702 -0.90912272 -4.96261607 -12.98573551 -33.90312681 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.303E-7 7.387E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 2257-09-2 16741 144207298 C Phenethyl isothiocyanate S=C=N\CCc1ccccc1 Tox21_200100 -NCGC00258064-01 196715821 tox21-ror-cho-viability-p1 set2 4 1.24715685 3.68466802 2.99951616 3.37523332 3.90463265 1.06613386 1.4455668 1.17873294 2.68089751 1.18521551 0.52108169 5.93980705 0.91462276 1.19178371 -0.10040247 1.2009999999E-9 2.686E-9 6.005E-9 1.3429999999E-8 3.003E-8 6.714E-8 1.501E-7 3.3569999999E-7 7.507E-7 0.000001679 0.000003753 0.000008393 0.000018769999999 0.00004196 0.000093829999999 50-06-6 4763 144207708 A A Phenobarbital O=C1NC(=O)NC(=O)C1(CC)c2ccccc2 Tox21_200510 -NCGC00257928-01 196715822 tox21-ror-cho-viability-p1 set2 4 -1.0203123 -5.08065553 -5.96438388 -3.18054523 -7.25562008 -0.57172516 -2.26000099 -9.00372473 -5.74066732 -5.84759533 -2.14451981 -0.54603747 -1.99577873 -0.69173848 0.82559745 1.2049999999E-9 2.694E-9 6.0249999999E-9 1.347E-8 3.012E-8 6.736E-8 1.506E-7 3.368E-7 7.5309999999E-7 0.0000016839999999 0.000003766 0.0000084199999999 0.000018829999999 0.0000421 0.000094139999999 91-21-4 7046 144207572 D 1,2,3,4-Tetrahydroisoquinoline c1ccc2CCNCc2c1 Tox21_200374 -NCGC00257577-01 196715828 tox21-ror-cho-viability-p1 set2 4 0.0147948726 4.3191613639 -4.8191613639 -0.5 4.4494702849 0.3434106872 0.3301993792 -0.17376745 -4.42061961 -9.43263447 -3.00952196 -0.92444672 0.91722752 -0.17173565 -4.1089873 -3.08961086 0.0764939 0.63041051 0.22881749 1.39850775 -2.77366783 1.95254159 1.144E-9 2.5579999999E-9 5.719E-9 1.2789999999E-8 2.8599999999E-8 6.3939999999E-8 1.4299999999E-7 3.197E-7 7.1489999999E-7 0.0000015989999999 0.0000035739999999 0.000007993 0.00001787 0.00003996 0.00008936 626-43-7 12281 144207221 A A 3,5-Dichloroaniline Nc1cc(Cl)cc(Cl)c1 Tox21_200023 -NCGC00257704-01 196716225 tox21-ror-cho-viability-p1 set2 4 68.3107079272 -13.459734004 2 -11.459734004 4.9549173134 0.8306632647 0.0040031815 1.99272413 2.40155986 -1.31886016 1.36608918 1.81941211 2.28809675 2.22660626 3.11002723 2.99979876 0.96047004 0.23236669 2.50920684 2.73202433 2.88800258 -9.13311167 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.315E-8 2.94E-8 6.573E-8 1.4699999999E-7 3.2869999999E-7 7.3489999999E-7 0.000001643 0.000003674 0.0000082159999999 0.00001837 0.00004108 0.000091859999999 102-09-0 7597 144207348 A B Diphenylcarbonate O=C(Oc1ccccc1)Oc2ccccc2 Tox21_200150 -NCGC00257715-01 196716233 tox21-ror-cho-viability-p1 set2 4 6.72615045 2.82356464 1.83749794 2.01218624 2.26227964 2.45969013 -0.9060407 2.45139825 3.05474512 -0.93811412 1.14193619 2.42257688 2.25814566 2.63564119 1.98785575 1.1989999999E-9 2.6809999999E-9 5.995E-9 1.3409999999E-8 2.998E-8 6.703E-8 1.4989999999E-7 3.352E-7 7.494E-7 0.000001676 0.000003747 0.0000083789999999 0.000018739999999 0.00004189 0.00009368 97-88-1 7354 144207359 AC B Butyl methacrylate CC(=C)C(=O)OCCCC Tox21_200161 -NCGC00257663-01 196716235 tox21-ror-cho-viability-p1 set2 4 1.97172577 0.42588344 2.10518414 0.44153138 -0.53699349 -1.25874769 0.33681842 0.30754667 -1.09284387 1.76376215 0.52171298 -0.30255954 2.31063803 0.97686941 5.70562383 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.3169999999E-8 2.944E-8 6.583E-8 1.472E-7 3.2919999999E-7 7.3599999999E-7 0.0000016459999999 0.00000368 0.0000082289999999 0.000018399999999 0.00004115 0.000092 96-41-3 7298 144207307 A Ac Cyclopentanol OC1CCCC1 Tox21_200109 -NCGC00258161-01 196716237 tox21-ror-cho-viability-p1 set2 4 -0.64899481 0.05094994 -0.19280258 0.22769314 3.00270612 0.1238318 -0.27124797 -0.51016707 -0.3712836 0.20182774 -3.03101402 0.46409 -2.37573512 -0.24221658 3.98616586 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.397E-7 0.0000016539999999 0.0000036989999999 0.0000082699999999 0.000018489999999 0.00004135 0.00009247 350493-08-2 11212667 144207805 A A 1-Butyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide CCCCn1cc[n+](C)c1C.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F Tox21_200607 -NCGC00257987-01 196716241 tox21-ror-cho-viability-p1 set2 4 -1.02088018 0.99667541 0.86588652 0.44737443 1.56854165 -1.23712768 -1.52217785 2.66138279 0.40325178 0.99315906 -0.25793915 3.2241445 2.76932581 3.03878794 0.49710596 1.188E-9 2.657E-9 5.942E-9 1.3289999999E-8 2.971E-8 6.6439999999E-8 1.486E-7 3.3219999999E-7 7.428E-7 0.0000016609999999 0.000003714 0.000008305 0.00001857 0.00004152 0.00009285 105-08-8 7735 144207631 A A 1,4-Cyclohexanedimethanol OCC1CCC(CO)CC1 Tox21_200433 -NCGC00168342-02 196712940 tox21-ror-cho-viability-p1 set2 4 -1.00538815 -4.39224993 -4.53555613 0.68952193 -0.61850348 -0.20643821 0.74885452 0.98276112 0.70666595 0.04152916 -0.3174759 -0.58053702 1.576248 0.16068597 1.17008613 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00256927-01 196707638 tox21-ror-cho-viability-p1 set1 4 -0.83882551 -3.57243798 0.10162389 1.52405683 0.1418298 -0.79022956 -6.06545676 -0.30685568 -2.4148745 -1.77520381 -8.50458573 -0.7042639 -2.46449947 0.74274404 0.77164369 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 1738-25-6 15615 144213349 Fns 3-Dimethylaminopropionitrile N#CCCN(C)C Tox21_303032 -NCGC00091499-05 196707623 tox21-ror-cho-viability-p1 set1 4 1.50167329 -2.60374687 1.41355026 1.17179259 2.24852185 4.81589828 -2.45135271 4.84751268 -0.4401009 0.69222029 0.65388826 4.80536939 0.3399904 -1.34055557 -2.0327195 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00257006-01 196707626 tox21-ror-cho-viability-p1 set1 4 0.0021689943 -15.0647431119 -2.39112118 -17.4558642919 3.9294729863 0.5074012297 0.1889237656 -3.65926765 -12.34846692 -20.66927667 -12.95720392 -15.38765451 -20.42892132 -20.62994745 -12.51009986 -21.9913922 -10.40886149 -22.87988691 -16.16746614 -18.06446672 -16.65283634 -11.46478352 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 947-04-6 13690 144213396 A A Azacyclotridecan-2-one O=C1CCCCCCCCCCCN1 Tox21_303079 -NCGC00257331-01 196707637 tox21-ror-cho-viability-p1 set1 4 0.0015355304 -17.114400464 4 -13.114400464 4.9549173134 0.341741472 0.3435883311 0.39518416 -14.68390805 -14.92523294 -13.45706042 -12.83278992 -11.86816904 -0.97673222 -10.84724931 -16.3259748 -22.59533372 -17.95348012 -10.11725539 -8.99343133 -13.71909652 -9.59909661 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15499-27-1 524314 144213746 A Ac 4-Butylchlorobenzene Clc1ccc(CCCC)cc1 Tox21_303435 -NCGC00257453-01 196708032 tox21-ror-cho-viability-p1 set1 4 0.10787516 1.23511542 2.20386884 1.32178991 0.57500788 1.06871882 4.96475274 0.37979418 2.89245462 0.4050182 1.9951662 5.82523787 4.43925404 0.03625763 9.47797615 1.9469999999E-10 4.353E-10 9.733E-10 2.176E-9 4.8659999999E-9 1.088E-8 2.433E-8 5.4409999999E-8 1.2169999999E-7 2.72E-7 6.083E-7 0.00000136 0.0000030409999999 0.000006801 0.00001521 25340-17-4 8657 144213777 F Fns Diethylbenzene CCc1ccccc1CC Tox21_303467 -NCGC00256839-01 196708034 tox21-ror-cho-viability-p1 set1 4 17.2289340586 -7.9309156719 4 -3.9309156719 2.7867712143 0.3065218947 0.3781141199 6.57831154 1.66650499 4.60842921 5.8411726 -2.04453731 8.2636621 -2.64275989 2.92816818 5.97230983 5.87899168 7.48256925 1.82483916 -0.10676061 -3.27576306 0.40711844 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-29-5 31251 144212905 A Ac Ethyl nonanoate O=C(CCCCCCCC)OCC Tox21_302588 -NCGC00259906-01 196708447 tox21-ror-cho-viability-p1 set2 4 4.74186177 0.57568173 1.23218972 4.12900417 -2.00519005 -2.16088541 1.31914809 -3.09281582 -0.4383107 -2.23479702 0.08252119 1.26613014 -3.43664464 -4.08898538 0.00873471 1.202E-9 2.688E-9 6.01E-9 1.344E-8 3.005E-8 6.7199999999E-8 1.503E-7 3.36E-7 7.5129999999E-7 0.0000016799999999 0.0000037559999999 0.0000084 0.00001878 0.000042 0.000093909999999 484-20-8 2355 144209555 A A 5-Methoxypsoralen COc1c3ccoc3cc2OC(=O)C=Cc12 Tox21_202357 -NCGC00259936-01 196708450 tox21-ror-cho-viability-p1 set2 4 3.60190674 1.8414276 3.23197025 6.50750371 1.7955099 0.62794207 6.48619908 2.4338039 2.2749015 2.4725294 1.84266429 5.34838609 1.02261303 3.32234919 3.21717013 1.15E-9 2.571E-9 5.749E-9 1.285E-8 2.874E-8 6.4269999999E-8 1.437E-7 3.214E-7 7.186E-7 0.0000016069999999 0.0000035929999999 0.000008034 0.00001796 0.000040169999999 0.000089819999999 140-67-0 8815 144209585 A A Estragole COc1ccc(CC=C)cc1 Tox21_202387 -NCGC00259762-01 196708471 tox21-ror-cho-viability-p1 set2 4 0.0487553236 9.700061476 -6.200061476 3.5 0.3 0.578913786 0.1149204588 -4.37842044 -1.60126706 -3.90737068 -4.75005123 0.51392629 -0.56317711 -0.56718326 -1.10803431 2.95823748 0.43249308 -0.34355312 -0.17908101 6.19534744 1.41238691 1.94865719 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004135 0.00009247 54-31-9 3440 144209411 A A Furosemide NS(=O)(=O)c2cc(c(NCc1ccco1)cc2Cl)C(=O)O Tox21_202213 -NCGC00025004-04 196697664 tox21-ror-cho-viability-p1 set1 4 -5.14573848 0.78913775 -3.10379892 -7.09052991 -4.80888285 -1.13007539 -7.36721125 -9.66135131 -0.81736156 -2.42409678 -2.87971525 -7.15752603 -1.84793439 -4.69982463 -6.10920343 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 162408-66-4 4302960 170466893 A GR 103691 CC(=O)c1ccc(cc1)c2ccc(cc2)C(=O)NCCCCN3CCN(CC3)c4ccccc4OC Tox21_110943_1 -NCGC00357133-01 196723828 tox21-ror-cho-viability-p1 set3 4 4.2241428 -0.13892636 -7.59165273 -9.11444038 0.24457223 9.5579696 -0.72773149 -1.26766952 2.19923153 -0.50737756 0.40511101 1.82330682 1.02654308 0.82450504 -5.56272512 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1489-69-6 123114 251919872 F Cyclopropanecarboxaldehyde O=CC1CC1 Tox21_303871 -NCGC00357280-01 196723832 tox21-ror-cho-viability-p1 set3 -2.2 14.9600854925 -41.069323384 -3.5 -44.569323384 1.331 0.8082135856 0.0066554424 -11.56189259 -4.64956897 -7.54441 -7.14340761 -0.47005308 2.1672949 2.34579777 2.60853633 -0.42943415 -4.20711337 -16.82799382 -4.52241275 -15.84410503 -30.21903528 -37.14110282 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 509-34-2 62357 251919767 F C.I. Solvent Red 49 CCN(CC)c4cc5Oc1cc(ccc1C3(OC(=O)c2ccccc23)c5cc4)N(CC)CC Tox21_303794 -NCGC00357278-01 196723835 tox21-ror-cho-viability-p1 set3 4 0.0121971512 18.716467992 -11.716467992 7 0.3 0.5966842268 0.0997234922 -5.10503798 -8.09705666 -0.32467664 -6.06920835 1.25411606 4.97061732 2.02501059 -0.89432963 -0.64895704 2.51605162 7.99207586 6.00835843 3.38858907 1.28150522 9.83690871 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 116-17-6 8304 251919788 F Tripropan-2-yl phosphite CC(C)OP(OC(C)C)OC(C)C Tox21_304011 -NCGC00357021-01 196724595 tox21-ror-cho-viability-p1 set3 4 30.6378586933 -15.611561312 9.5 -6.111561312 0.9999999999 0.6329652671 0.0749768925 11.05022748 5.6808474 6.02703315 6.35753097 10.52721665 12.31071876 12.20640021 7.69555155 13.1229465 12.08150814 7.20565498 1.53752592 4.89504365 2.8474448 -3.84296776 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 53-41-8 5879 251919731 A Androsterone O=C4CC[C@@H]3[C@]4(C)CC[C@H]1[C@H]3CC[C@H]2C[C@H](O)CC[C@]12C Tox21_303701 -NCGC00021277-04 196697472 tox21-ror-cho-viability-p1 set1 4 1.00816605 -0.1470873 0.3902566 0.18688657 -0.19295733 1.3531456 0.9539641 1.97871657 1.44441598 -0.44377191 0.98062373 -5.06166144 0.24901203 0.86711365 0.63131462 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-03-3 5702068 170466796 A Hydrocortisone acetate CC(=O)OCC(=O)[C@@]4(O)CCC3C2CCC1=CC(=O)CC[C@]1(C)C2[C@@H](O)C[C@@]34C Tox21_113074_1 -NCGC00260464-01 196724603 tox21-ror-cho-viability-p1 set3 4 0.7776246235 9.943170512 -2.943170512 7 4.9549173134 0.4957086444 0.1999968754 -0.93186203 0.97290048 -7.04808612 -7.86930876 -4.25339729 -7.00113333 4.01176119 -3.4803929 -3.76158563 -2.36365471 -0.79165301 -3.16024139 4.47509431 6.84722827 -7.51484201 6.081E-11 1.36E-10 3.041E-10 6.799E-10 1.52E-9 3.4E-9 7.602E-9 1.7E-8 3.801E-8 8.499E-8 1.8999999999E-7 4.2499999999E-7 9.502E-7 0.000002125 0.000004751 4584-57-0 5377793 144210116 A A 1,4-Dimethylamino-4-nitrostilbene CN(C)c1ccc(cc1)\C=C\c2ccc(cc2)[N+]([O-])=O Tox21_202918 -NCGC00090698-04 196724608 tox21-ror-cho-viability-p1 set3 4 -5.16250364 -1.48364587 -0.24483062 0.54330028 4.09934784 -2.73676208 -2.15441832 2.26888138 -0.81409605 -7.37336803 -0.79931751 3.47551987 1.07235231 0.61805853 3.39516957 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00356992-01 196724614 tox21-ror-cho-viability-p1 set3 4 0.0216899429 10.986813356 -2.486813356 8.5 0.7999999999 0.764119974 0.0207836645 -2.48901113 -0.73525381 2.08377466 1.67740328 3.70095035 3.13485521 7.38152809 7.39122504 7.23860912 10.67310761 11.44382057 10.24744107 4.74438676 5.0234238 1.53896241 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 147150-35-4 86453 251919716 C Cloransulam-methyl O=C(OC)c3cccc(Cl)c3NS(=O)(=O)c1nc2cc(F)nc(OCC)n2n1 Tox21_304004 -NCGC00183853-01 196725009 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -77.8155046339 1.256008023 -76.5594966109 4.9549173134 0.8628701733 0.0014843483 3.24775268 -1.81239875 -1.3471177 1.57980746 1.85996397 1.71734479 0.21695982 0.09256007 -2.351205 -10.51295134 -1.20814847 -0.06737881 4.85267396 16.35367928 -71.08624049 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 89419-40-9 4257 144206880 A A Mosapramine Clc5ccc6CCc1ccccc1N(CCCN2CCC4(CC2)C(=O)NC3CCCCN34)c6c5 Tox21_113329 -NCGC00164629-02 196725015 tox21-ror-cho-viability-p1 set3 4 0 -12.98098862 0 -11.07165066 -3.53996695 -10.84514517 -9.51372211 -13.64492762 0 -16.75191357 -10.18762721 -2.99008983 -14.3726736 -11.30638251 -11.71613556 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26750-81-2 71916 170466533 A Alibendol Oc1c(cc(cc1OC)CC=C)C(=O)NCCO Tox21_112247_1 -NCGC00254325-01 196719514 tox21-ror-cho-viability-p1 set3 1.4 0.0036035441 19.572154364 -19.572154364 0 0.5 0.7096882915 0.0341338256 -12.42090036 -14.64346197 -6.51117162 -1.30457709 -7.23914613 -9.17700343 -0.59514598 -0.99902447 -3.24463903 0.04988427 -0.97238232 -1.70779504 -1.14876148 0.41509266 0.71157775 1.115E-9 2.493E-9 5.574E-9 1.246E-8 2.7869999999E-8 6.2319999999E-8 1.394E-7 3.1159999999E-7 6.9679999999E-7 0.000001558 0.000003484 0.00000779 0.00001742 0.00003895 0.000087099999999 1934-21-0 5359657 144210871 A Ac FD&C Yellow 5 [Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)/N=N/C3=C(NN(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O Tox21_300554 -NCGC00256358-01 196719076 tox21-ror-cho-viability-p1 set2 4 -5.12403183 0.63456405 -5.29991859 -7.38114139 -12.66235523 -8.44453356 -7.46191567 -4.56994825 -8.47966628 -14.5286386 1.73747641 -0.32825634 -12.25551725 5.62476302 -0.64522413 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 636-21-5 12484 144213089 A B 2-Methylaniline hydrochloride Cl.Cc1ccccc1N Tox21_302772 -NCGC00254879-01 196719507 tox21-ror-cho-viability-p1 set3 4 0.002730602 11.770679116 -11.770679116 0 0.5 0.5774488827 0.1154843609 -6.96253804 -8.97556593 -2.21911504 -0.32551028 -3.98222349 -4.85869971 -0.04911683 -1.91556473 -2.13765125 2.06884002 -1.19461648 2.30342666 0.85649979 -2.12856463 0.58332022 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18479-57-7 86751 144211294 A A 2,6-Dimethyloctan-2-ol CC(C)(O)CCCC(C)CC Tox21_300977 -NCGC00254456-01 196719513 tox21-ror-cho-viability-p1 set3 4 0.0306378587 13.3178037399 -7.3178037399 6 1.6266150999 0.4114924564 0.2604581586 -7.61118536 -7.6737605 -5.13536348 -4.33359933 -4.06371796 11.45910408 -7.76483645 15.50056027 14.180767 -5.7724319 11.98946023 8.17631358 5.85963395 -0.33689258 6.83896891 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-11-4 5281 144210879 A Z Octadecanoic acid O=C(O)CCCCCCCCCCCCCCCCC Tox21_300562 -NCGC00254741-01 196719916 tox21-ror-cho-viability-p1 set3 4 0.038413934 -5.6586925 6 0.3413075 0.6 0.3279007705 0.3602940487 1.98633926 5.22161612 10.61294024 2.41290405 1.8735008 0.77837131 4.78633258 0.02314748 3.02252507 -1.38224375 2.46629247 2.20446842 -0.09010378 -0.91867252 2.22697971 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004107 0.00009184 140-38-5 8796 144211154 A A 4-Chlorophenylurea Clc1ccc(NC(N)=O)cc1 Tox21_300837 -NCGC00254104-01 196719919 tox21-ror-cho-viability-p1 set3 4 0.0136854288 9.058340532 -2.058340532 7 4.9549173134 0.4085200417 0.2639438877 4.16690102 -7.54861711 -3.40826552 2.22364579 10.96567364 13.46612888 5.81316798 10.50079883 -1.23661185 8.08490177 0.45204141 4.43763012 11.01686177 4.33547888 6.73774856 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-36-8 4133 144210457 A Ac Methyl salicylate Oc1ccccc1C(=O)OC Tox21_300137 -NCGC00254847-01 196719927 tox21-ror-cho-viability-p1 set3 -2.1 67.9623322576 -85.4480646055 -5.592894904 -91.0409595095 4.5044702849 0.9634118243 0.0000014884 -9.20701591 -11.92093365 -7.30263241 -2.75830153 -10.30466377 -7.98086256 -1.94517158 -2.56974209 -4.10042724 -6.8617584 -1.15618985 -0.68034028 -6.44359737 -13.616325 -73.44520596 1.171E-9 2.618E-9 5.854E-9 1.3089999999E-8 2.927E-8 6.545E-8 1.464E-7 3.2729999999E-7 7.3179999999E-7 0.0000016359999999 0.0000036589999999 0.000008182 0.00001829 0.000040909999999 0.000091469999999 NOCAS_34742 9959038 144211262 C C Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3) O[C@@H]3C(C)=C[C@H]5C(=O)O[C@H]1C[C@H](O[C@]2(C1)CC[C@H](C)[C@@H](CC)O2)CC=C(C)C[C@@H](C)C=CC=C4CO[C@H]3[C@@]45O Tox21_300945 -NCGC00254481-01 196720332 tox21-ror-cho-viability-p1 set3 4 2.12455459 11.33377115 10.93921575 10.93024839 13.87104382 2.36704463 14.73489751 4.03737832 10.86007826 0.77406004 5.46085568 -0.97604924 10.80147381 1.66204765 0.8915738 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1563-66-2 2566 144210940 A A Carbofuran CNC(=O)Oc1cccc2CC(C)(C)Oc12 Tox21_300623 -NCGC00090776-02 196717833 tox21-ror-cho-viability-p1 set2 4 3.41423408 -1.02654302 2.37747554 3.71020269 7.84586108 2.71355033 4.37113069 4.32238296 -0.32706955 -0.6315623 1.563131 0.91269316 -1.84786153 3.79573552 2.42627252 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00182034-01 196717015 tox21-ror-cho-viability-p1 set2 4 1.83948913 1.68511713 1.60738119 3.54400938 5.26706815 3.76892388 6.30529138 6.130887 -0.47463161 -0.73496886 -1.07607067 2.43049989 0.22579544 1.01791392 0.312626 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6809-52-5 53384398 144206513 F A Teprenone C/C(C)=C\CCC(\C)=C\CCC(\C)=C\CCC(C)=CCCC(C)=O Tox21_112960 -NCGC00274070-01 196717422 tox21-ror-cho-viability-p1 set2 4 2.32102486 1.0128078 0.78185302 -0.6356794 2.7650925 1.13945181 3.63105006 1.1550493 0.83352667 0.85644088 3.31371792 -0.17991805 -0.72586012 0.96302743 0.38661261 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82834-16-0 107807 170464836 A Perindopril O=C(OCC)[C@H](CCC)N[C@@H](C)C(=O)N1[C@@H](C[C@@H]2CCCC[C@H]12)C(=O)O Tox21_113087_1 -NCGC00257549-01 196729051 tox21-ror-cho-viability-p1 set3 4 21.6899429044 -13.175828356 0.5 -12.675828356 1.287561 0.5072630567 0.1724137399 0 2.82455885 -3.5814972 -1.22171351 -0.8834117 -1.70163559 -3.66156933 7.84021949 -0.84383141 7.38939194 -1.14518367 -7.25910114 -2.60363903 -9.07185775 -11.39652363 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3878-55-5 77487 144212505 B A Monomethyl succinate O=C(O)CCC(=O)OC Tox21_302188 -NCGC00256171-01 196728637 tox21-ror-cho-viability-p1 set3 4 4.8557733675 -7.034136172 2.5 -4.534136172 4.9549173134 0.5836408417 0.1098602873 1.56057239 4.00748898 0.90104462 6.06657086 -2.12487589 -0.53401572 2.81741569 2.95777336 2.2552099 7.58947414 1.41331941 -5.53133846 -0.49858696 -5.17400518 -6.27844681 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 146653-56-7 11437710 144211539 A B 4-{2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl}benzonitrile FC(F)(F)c1cccc(c1)C(=O)Cc2ccc(C#N)cc2 Tox21_301222 -NCGC00255273-01 196728644 tox21-ror-cho-viability-p1 set3 4 2.29717252 4.16242175 2.62403415 4.26942477 2.07550044 2.2023386 4.83260046 3.97103803 6.18844614 6.80451853 4.99381012 1.0953048 2.08160148 2.34209343 2.5456837 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60599-38-4 43371 144211552 A A N-Nitrosobis(2-oxopropyl)amine O=C(C)CN(CC(=O)C)N=O Tox21_301235 -NCGC00256224-01 196729046 tox21-ror-cho-viability-p1 set3 4 43.2771256911 19.7033735281 1.2966264719 21 0.6 0.5917832939 0.1033439556 0.53911167 2.4986226 3.57414653 -1.40492973 -1.41947794 5.17291689 4.24523926 4.75006272 -1.00452374 2.81709241 12.04050062 3.74746291 6.6600686 8.55906103 16.34246258 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2094-99-7 604152 144212033 F F 1-(2-Isocyanatopropan-2-yl)-3-(prop-1-en-2-yl)benzene C=C(C)c1cccc(c1)C(C)(C)\N=C=O Tox21_301716 -NCGC00255836-01 196729059 tox21-ror-cho-viability-p1 set3 4 1.24613137 -3.33632345 -3.51728316 -2.32706075 0.55996482 -1.25227148 3.10843176 -0.62184442 1.54068697 -4.33346634 -0.09433159 -5.29260181 -3.74558026 -6.65942597 -6.07846373 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 53558-25-1 40813 144212569 A A Pyrinuron [O-][N+](=O)c1ccc(cc1)NC(=O)NCc2cccnc2 Tox21_302252 -NCGC00256069-01 196729063 tox21-ror-cho-viability-p1 set3 4 0.5448267328 -6.0370894639 2 -4.0370894639 4.9549173134 0.3086206633 0.3597831937 0 -2.19388957 -1.80415338 7.4771067 5.34632908 -3.89077317 6.12354506 7.16755443 -5.48515845 -8.13708727 -1.35608095 2.81534022 -0.85642695 -10.86424122 -3.26146942 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6701-13-9 81196 144212120 A Ac 1,10-Decanediol dimethacrylate C=C(C)C(=O)OCCCCCCCCCCOC(=O)C(=C)C Tox21_301803 -NCGC00255383-01 196729064 tox21-ror-cho-viability-p1 set3 2.4 21.6899429044 18.270446664 1.729553336 20 0.8999999999 0.7043843354 0.0363156705 3.91759238 1.5936418 -2.72537222 -0.32600512 -0.16068793 5.99374293 8.27320721 2.63630748 5.71715762 4.41585178 0.91120619 5.14275151 10.59167928 16.29657911 15.75919648 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63-42-3 6134 144212183 A A Lactose O[C@H]2[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H](CO)O[C@@H](O)[C@@H]2O Tox21_301866 -NCGC00258308-01 196729467 tox21-ror-cho-viability-p1 set3 4 -1.06370514 -0.55691125 0.5363704 -1.89360665 4.68022286 -1.02823845 -0.84670596 -1.16771056 1.15835552 2.97539738 0.92460254 0.22119389 0.48965096 -1.53291294 -4.30315101 1.194E-9 2.6689999999E-9 5.969E-9 1.335E-8 2.9839999999E-8 6.6729999999E-8 1.4919999999E-7 3.337E-7 7.4609999999E-7 0.000001668 0.00000373 0.0000083409999999 0.00001865 0.00004171 0.00009326 122-80-5 31230 144207952 A A 4-Aminoacetanilide O=C(C)Nc1ccc(N)cc1 Tox21_200754 -NCGC00258284-01 196729476 tox21-ror-cho-viability-p1 set3 4 69.2877332643 -26.476016968 3 -23.476016968 4.0949729863 0.7590774585 0.0169494367 3.69263417 10.43739945 -0.05163271 3.34403732 -2.03803981 4.82544544 1.16812142 2.64769293 7.05421407 1.1982938 1.62080691 1.09194727 2.47164533 0.29795832 -17.48001414 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.6509999999E-8 1.487E-7 3.325E-7 7.436E-7 0.000001663 0.000003718 0.000008313 0.00001859 0.00004157 0.000092939999999 554-12-1 11124 144207928 FNS Methyl propanoate CCC(=O)OC Tox21_200730 -NCGC00258341-01 196729483 tox21-ror-cho-viability-p1 set3 4 -2.493417 0.78783867 4.02667871 5.68793396 3.72729781 5.60079348 0.77895366 -2.51888286 -2.3673393 -1.22642912 -1.10710173 5.91241392 0.20518261 1.1612402 1.72571291 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004129 0.000092319999999 2461-18-9 17163 144207985 A Bc Dodecyl glycidyl ether CCCCCCCCCCCCOCC1CO1 Tox21_200787 -NCGC00256261-01 196701293 tox21-ror-cho-viability-p1 set1 4 -3.35893072 -4.58701096 -2.29969824 -3.58339812 0.12509046 -0.04869014 -5.32844925 -0.51516923 1.51233472 1.57606846 -6.82742132 0.55171244 0.1490081 0.61538957 -3.58042281 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4536-30-5 24750 144211910 A F 2-(Dodecyloxy)ethanol OCCOCCCCCCCCCCCC Tox21_301593 -NCGC00255599-01 196700871 tox21-ror-cho-viability-p1 set1 4 30.6067041936 11.5894993241 1.4105006759 13 4.9549173134 0.7592833148 0.0225791936 1.24449668 0.03350844 0.02946437 2.05940322 2.18294849 1.26131226 0.74724248 2.28594992 3.5975035 5.03701953 1.9878696 0.51136515 -0.07458277 12.67970089 -0.13016364 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 5259-88-1 21330 144211648 A A Oxycarboxin CC=1OCCS(=O)(=O)C=1C(=O)Nc2ccccc2 Tox21_301331 -NCGC00255535-01 196701277 tox21-ror-cho-viability-p1 set1 4 11.0035166895 5.8532804039 -2.3532804039 3.5 3.9294729863 0.5152637991 0.1670188649 -1.85777595 -1.76497573 -2.40036822 -0.511874 -1.38074436 -3.17775428 -0.63438713 -3.63720128 -2.82745504 -0.60247964 -9.87773367 0.03457791 2.32771111 4.80741888 2.44670277 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 921-20-0 61234 144212194 F F 3-(Hydroxymethyl)pentane-2,4-diol CC(O)C(CO)C(C)O Tox21_301877 -NCGC00255238-01 196701279 tox21-ror-cho-viability-p1 set1 4 3.72525525 2.11176364 0.60206311 3.86929288 4.75993196 -2.47717966 1.1001691 1.47609924 1.27747236 2.21973199 5.00641977 0.8306912 2.27670638 13.02268264 0.1708078 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1941-30-6 74745 144211821 A A Tetrapropylammonium bromide [Br-].CCC[N+](CCC)(CCC)CCC Tox21_301504 -NCGC00255908-01 196701295 tox21-ror-cho-viability-p1 set1 4 2.42946547 0.42143829 0.14986007 0.59249225 0.05216838 5.76658039 0.36070122 1.34268719 0.51805097 3.33108304 2.65871518 0.41298173 0.06410553 5.81458577 1.27314312 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 383-63-1 9794 144211626 Fns Ethyl trifluoroacetate FC(F)(F)C(=O)OCC Tox21_301309 -NCGC00257779-01 196701696 tox21-ror-cho-viability-p1 set1 4 1.69164238 1.02346162 3.80321375 11.994109 -0.64977106 3.58796987 4.23778559 1.93786953 -9.3344914 0.06337562 0.55512389 1.55714771 4.4286987 0.74595803 6.94707311 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.476E-7 3.3009999999E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008253 0.00001846 0.00004127 0.000092279999999 112-62-9 5364509 144207423 A Fns Methyl (9Z)-octadec-9-enoate O=C(CCCCCCC/C=C\CCCCCCCC)OC Tox21_200225 -NCGC00258133-01 196701700 tox21-ror-cho-viability-p1 set1 4 2.19418705 -0.20140805 2.17436901 3.71150775 1.51439039 2.89394996 5.3545823 0.21583653 4.46670958 1.91323853 -0.89425928 -1.01424975 1.46975323 1.58247579 0.88687018 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.00004119 0.000092099999999 53226-35-0 171257 144207777 F 2-Hydroxyethylammonium formate O=CO.NCCO Tox21_200579 -NCGC00258509-01 196701712 tox21-ror-cho-viability-p1 set1 4 -4.34823192 -6.68451718 -6.82607202 -4.12127582 -12.17856188 -5.12067826 -11.30534298 -5.94937044 -1.41712525 -9.31715209 -12.06241087 -4.80244671 -9.41258705 -5.38070804 -1.890106 1.158E-9 2.5899999999E-9 5.7909999999E-9 1.2949999999E-8 2.8949999999E-8 6.474E-8 1.448E-7 3.2369999999E-7 7.239E-7 0.0000016189999999 0.000003619 0.000008093 0.0000181 0.00004047 0.00009048 88-21-1 6926 144208154 A A Orthanilic acid Nc1ccccc1S(O)(=O)=O Tox21_200956 -NCGC00256101-01 196700905 tox21-ror-cho-viability-p1 set1 4 2.7306020303 -10.837737168 -1 -11.837737168 4.9549173134 0.8021925586 0.0107083578 -1.21387121 -3.78101994 -1.5160566 -3.78114669 -1.18935459 -1.13658362 1.6215326 -1.3226665 0.4087465 -0.71953239 -9.70409813 -13.30530472 -6.41132321 -15.28144764 -5.08280778 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 629-78-7 12398 144212595 F Fns Heptadecane CCCCCCCCCCCCCCCCC Tox21_302278 -NCGC00255458-01 196701317 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -19.6723647119 -1.5 -21.1723647119 4.9549173134 0.693716687 0.041212107 2.00193796 -1.56714718 -1.06101707 -7.73799227 0.74872345 1.51000216 -1.49493986 -5.32775889 -1.68188929 -0.12998998 -1.33793226 0.56914386 -5.4106093 -0.96748626 -17.64363726 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 132-54-7 67236 144211967 A A Phenyl 1-hydroxy-2-naphthoate O=C(Oc1ccccc1)c3ccc2ccccc2c3O Tox21_301650 -NCGC00255544-01 196701321 tox21-ror-cho-viability-p1 set1 4 0.91999265 2.85436127 1.36284177 1.43417907 0.73115877 3.12133083 0.17792713 -0.38954356 3.66731982 8.84588997 1.42648301 0.16655406 1.19559968 4.89658621 2.86916385 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-50-0 7389 144211760 A A (4-Aminophenyl)arsonic acid O=[As](O)(O)c1ccc(N)cc1 Tox21_301443 -NCGC00258295-01 196701716 tox21-ror-cho-viability-p1 set1 4 0.298911 3.42511071 5.83627454 7.60404777 3.29283106 -4.8040243 8.64530506 2.81172499 14.06500524 5.03038828 1.77160721 1.68582607 5.46615449 6.64899652 0.66550451 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 71-36-3 263 144207939 A A 1-Butanol CCCCO Tox21_200741 -NCGC00257627-01 196701723 tox21-ror-cho-viability-p1 set1 -2.4 24.1386586932 -29.7245083799 -5.47658122 -35.2010895999 0.6 0.8775829191 0.0008723931 -7.06347286 -6.39734044 -1.23048435 -7.41542481 -7.46329573 -9.05564715 -10.42813423 -9.62134892 -6.81165896 -11.95606349 -11.41998828 -13.02628563 -18.16449487 -26.000908 -24.92977732 1.172E-9 2.621E-9 5.8609999999E-9 1.311E-8 2.9299999999E-8 6.553E-8 1.465E-7 3.276E-7 7.326E-7 0.0000016379999999 0.0000036629999999 0.000008191 0.00001832 0.00004095 0.00009158 6358-07-2 3894848 144207271 A A 2-Amino-4-chloro-5-nitrophenol O=[N+]([O-])c1cc(O)c(N)cc1Cl Tox21_200073 -NCGC00261973-01 196698206 tox21-ror-cho-viability-p1 set1 4 0.0007497804 -11.0031236519 10 -1.0031236519 4.9549173134 0.6761178289 0.0511175872 7.44544084 -2.1989264 -2.29721424 -0.12146144 -2.6701981 -2.23627307 -0.28945289 -0.330957 1.02328225 1.21436879 -2.14919367 -2.91926971 0.93523627 -2.80606079 -0.69207757 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 32838-28-1 2486 170466034 B A Butoctamide semisuccinate CC(CC(=O)NCC(CC)CCCC)OC(=O)CCC(=O)O Tox21_113893 -NCGC00163597-04 196698218 tox21-ror-cho-viability-p1 set1 4 0.0032629448 10.9558876 -7.9558876 3 0.3 0.5414614946 0.1450475902 -3.43089246 -5.796573 -3.44965648 0.62674213 -1.35362064 -5.05863281 1.13336118 1.58808047 0.30869622 -0.50714214 -0.1104828 4.57051991 0.13579362 0.44246555 4.11081114 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 35891-70-4 6438394 170466855 Ac Myriocin O[C@@H]([C@H](O)C\C=C\CCCCCCC(=O)CCCCCC)[C@@](N)(CO)C(=O)O Tox21_112062_1 -NCGC00025355-12 196698225 tox21-ror-cho-viability-p1 set1 4 1.68559192 0.37455369 0 -0.29333061 -4.28138696 2.05325216 0.30332354 1.64436913 1.03746143 1.76000643 -1.37289066 0.18583509 -1.44024611 -3.42992581 -6.18292306 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61869-08-7 43815 170465075 A Paroxetine Fc1ccc(cc1)[C@@H]4CCNC[C@H]4COc2ccc3OCOc3c2 Tox21_113123_1 -NCGC00015387-06 196698627 tox21-ror-cho-viability-p1 set1 4 0.49861574 -0.99870189 0.21745022 1.64341487 2.11636691 -3.38948778 1.24184172 -0.67070001 -0.0219926 1.19090365 -3.64222257 0.1063263 1.5376719 -2.70000092 1.75836258 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56-06-4 2944 170466674 Z 2,4-Diamino-6-hydroxypyrimidine NC1=CC(=O)N=C(N)N1 Tox21_113576_1 -NCGC00253913-01 196699048 tox21-ror-cho-viability-p1 set1 4 -5.20117933 -3.50315954 -5.50575979 -2.5846275 -5.61785796 -3.44725796 -3.41753957 1.08614924 -1.91162884 -2.65936809 0.40598212 -2.29494834 -2.95762658 -2.74656303 2.35612867 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-48-0 7302 144210508 A A 4-Butyrolactone O=C1CCCO1 Tox21_300188 -NCGC00254845-01 196699059 tox21-ror-cho-viability-p1 set1 -1.1 21.8223555187 -90.6728465813 -3.9735322839 -94.6463788652 1.78848746 0.9889353612 1.5E-9 -5.77551138 -2.22061298 -2.46543406 -7.63757637 -3.98067997 -5.52525343 -0.15087137 1.11511791 -6.04623423 -4.59690203 -11.96607517 -13.3213055 -45.94307138 -71.22392465 -88.62020493 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 156052-68-5 122087 144211260 A D Zoxamide Clc1cc(cc(Cl)c1C)C(=O)NC(C)(CC)C(=O)CCl Tox21_300943 -NCGC00274274-01 196698653 tox21-ror-cho-viability-p1 set1 4 0.31356807 1.35173211 -2.14730756 1.39484345 1.13600486 2.94200502 -0.42254154 3.63500512 1.03383583 0.03626838 0.28537702 5.11121114 0.16304746 1.40332994 5.29821882 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63-12-7 2342 170465138 A A Benzquinamide CCN(CC)C(=O)C2CN3CCc1cc(OC)c(OC)cc1C3CC2OC(C)=O Tox21_113977 -NCGC00177979-05 196697819 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -16.21446892 1 -15.21446892 4.9549173134 0.8804697464 0.0007912882 0.54482468 -1.13122822 2.7215292 -0.41712658 0.00729209 3.94475573 1.06823031 0.77997689 1.00312223 1.25192566 1.03098089 1.91732271 -0.76261554 -0.60000004 -12.6787241 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79307-93-0 54360 170465172 A Azelastine hydrochloride Cl.Clc1ccc(cc1)CC3=NN(C(=O)c2ccccc23)C4CCCN(C)CC4 Tox21_111469_1 -NCGC00015410-08 196697823 tox21-ror-cho-viability-p1 set1 4 3.92987103 6.74578884 -0.10506464 -0.1406624 -1.50476999 3.76192364 0.43595272 1.72862947 -0.49469708 -0.37760285 -0.94662978 3.06724576 -0.57010891 3.70992141 3.22752713 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 89197-32-0 72016 170466438 A Efaroxan CCC1(Cc2ccccc2O1)C3=NCCN3 Tox21_110139_1 -NCGC00183026-01 196698648 tox21-ror-cho-viability-p1 set1 4 -2.47374589 -1.56368111 -2.91253823 -0.46156536 -0.67037262 0.83466908 -2.19795613 -2.6732392 0.54232453 -4.12982689 0.65101639 0.06784958 0.2338721 1.27628492 -1.29461832 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 616-96-6 3035267 144206821 A A Dicethiamine hydrochloride Cl.Nc1nc(C)ncc1CN(C=O)C(/C)=C(/CCOC(=O)OCC)SC(=O)OCC Tox21_113270 -NCGC00254117-01 196698661 tox21-ror-cho-viability-p1 set1 4 0.70848304 1.32750015 3.39840186 1.37524492 0.48859958 1.45683915 4.5399816 2.99994285 2.90627069 3.69480897 -0.1703951 -0.48476818 1.16245821 1.07320861 0.8600033 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1120-71-4 14264 144210386 B F 1,3-Propane sultone O=S1(=O)CCCO1 Tox21_300066 -NCGC00255070-01 196698667 tox21-ror-cho-viability-p1 set1 4 -2.25326465 -1.06643259 0.6503811 -4.45858726 -2.41043484 0.19447705 -0.18859638 -5.41931263 -4.49106067 0.30767448 -8.57861855 -5.36100318 0.36346941 0.03854675 2.60159853 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-49-3 7873 144211489 I Tetraethyl pyrophosphate CCOP(=O)(OP(=O)(OCC)OCC)OCC Tox21_301172 -NCGC00256518-01 196726775 tox21-ror-cho-viability-p1 set3 4 2.71511156 1.75758217 1.0760904 3.51161813 1.02462761 3.20597414 4.09421635 0.13213755 1.61789248 -2.25708627 0.9621341 3.14966437 1.11992385 -2.39587306 3.6693443 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 315-22-0 9415 144213191 A F Monocrotaline O=C1OCC3=CCN2CC[C@@H](OC(=O)[C@H](C)[C@@](C)(O)[C@@]1(C)O)[C@H]23 Tox21_302874 -NCGC00256622-01 196726752 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -16.236620612 -2 -18.236620612 4.9549173134 0.5631417969 0.1257629872 -4.70649098 -7.40080124 0.13207404 -7.44655775 2.0077966 0.71241547 -0.63383457 -1.14371831 -3.47929578 -3.03843051 0 -2.45147802 -0.454364 -1.96368537 -14.36385051 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-78-7 5365976 144212780 A A Allyl Ionone CC1(C)CCC=C(C)C1/C=C/C(=O)CCC=C Tox21_302463 -NCGC00257380-01 196726761 tox21-ror-cho-viability-p1 set3 4 3.44360312 2.44056777 1.45007977 0.44939798 2.40776632 1.64877919 3.08913151 1.90386204 4.96077899 -1.06220669 1.16683611 2.274632 1.10312886 2.28477971 -2.47802301 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19438-61-0 88069 144213710 A A 4-Methylphthalic anhydride Cc1ccc2C(=O)OC(=O)c2c1 Tox21_303399 -NCGC00257390-01 196726766 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -20.6781294159 -1.5 -22.1781294159 4.9549173134 0.6658269919 0.0553592477 -5.77848292 0.4573827 -7.01225961 -7.41664402 0.08454275 0.72724659 1.38519166 0.01460988 -1.05048058 0.66045067 -0.68990135 0.19919996 -0.3786705 -0.2768656 -17.64844118 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2396-68-1 75454 144213862 Z A 4-tert-Butylbenzenethiol CC(C)(C)c1ccc(S)cc1 Tox21_303557 -NCGC00257450-01 196727169 tox21-ror-cho-viability-p1 set3 4 4.09367521 0.46091572 -0.18665723 0.64854354 1.8932036 1.28309215 0.56227976 0.53291809 -6.15618911 3.10981753 3.76232499 1.10164382 1.1643707 1.2811824 0.2853182 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6375-47-9 80779 144213738 A A N-(3-Amino-4-methoxyphenyl)acetamide Nc1cc(ccc1OC)NC(C)=O Tox21_303427 -NCGC00257120-01 196727168 tox21-ror-cho-viability-p1 set3 4 -3.44877542 -3.46888922 -0.22752839 0.42573687 -1.19905409 1.33797343 0.8902424 1.0082696 0.50090977 1.10022041 0.70320533 -4.07535293 -3.51291605 -6.14969638 -4.1567612 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 644-97-3 12573 144213387 F A Phenyl phosphorus dichloride ClP(Cl)c1ccccc1 Tox21_303070 -NCGC00257251-01 196727172 tox21-ror-cho-viability-p1 set3 4 -6.81209014 -6.54352876 -5.89339827 -3.05819559 -1.08544184 -7.62118659 -4.45202547 3.48751649 -3.09192884 -0.63223817 -19.18900001 -7.90097267 -6.008664 4.08785619 -4.37123892 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_48509 10287749 144213890 F A PharmaGSID_48509 O=C(C1CCNCC1)N2CCC(CC2)N(CCC)[C@H]3Cc4cc(OC)ccc4CC3 Tox21_303585 -NCGC00090942-03 196724771 tox21-ror-cho-viability-p1 set3 -2.1 54.4826732819 -101.4932471784 -2.8223762819 -104.3156234603 2.0478617061 0.9723121959 3.075E-7 -10.02349439 -0.65287503 -2.44203002 -5.57642572 2.06937861 -5.03483472 -1.33751689 4.19677535 -7.18193187 -1.23171635 -2.95764479 -2.8385613 -15.06804025 -38.59529959 -79.02698747 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00260388-01 196724346 tox21-ror-cho-viability-p1 set3 4 0.0193901734 20.1407367639 -11.1407367639 9 0.3 0.5120245256 0.1845935031 -9.70061397 0.86922237 1.76878524 -5.00084372 -5.80488329 4.96133882 3.24946563 2.70450576 0.37828531 3.32144795 4.89135186 11.62561077 10.59788696 1.85380129 -10.62378612 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004132 0.0000924 534-85-0 68297 144210040 A B 1,2-Benzenediamine,N-phenyl- Nc2ccccc2Nc1ccccc1 Tox21_202842 -NCGC00260148-01 196724351 tox21-ror-cho-viability-p1 set3 -1.1 0.216899429 -72.4752311333 -1.004308884 -73.4795400173 4.9549173134 0.9892141863 1.3E-9 -3.59814282 0.53480091 1.87018024 -1.6164161 2.71020647 -6.83762112 -7.9057325 -69.66890694 -73.60018948 -68.15379835 -72.26950777 -71.72466864 -71.76147047 -72.25729125 -82.33288237 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 900-95-8 16682804 144209798 Ac Ac Triphenyltin acetate CC(=O)O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3 Tox21_202600 -NCGC00357050-01 196724750 tox21-ror-cho-viability-p1 set3 4 -3.67175893 5.55076528 -3.1768413 0.23959512 3.83584262 0.65488451 5.3680347 3.16797513 2.45589904 -1.53830507 -0.926737 0.61396269 3.9238071 -4.97997525 8.51203323 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1678-91-7 15504 251919878 Fns Ethylcyclohexane CCC1CCCCC1 Tox21_303745 -NCGC00015727-10 196725164 tox21-ror-cho-viability-p1 set3 4 16.7854920005 16.80903058 0.19096942 17 0.5 0.5506787893 0.1356619632 -3.17419215 1.64797185 -0.01067944 5.48584884 -2.1533713 -0.96287244 6.27885459 3.54184335 -0.8846035 2.38086942 6.65979696 3.80208502 4.64970578 13.46290962 9.06666268 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 32795-47-4 5358907 170466450 A Nomifensine maleate O=C(O)/C=C\C(=O)O.Nc3cccc1c3CN(C)CC1c2ccccc2 Tox21_111258_1 -NCGC00091426-02 196709537 tox21-ror-cho-viability-p1 set2 4 -3.16155227 -3.32947559 0.22972191 -0.09839614 1.01193749 -0.19380714 0.86806021 -0.41067077 0.93152457 0.15669911 3.14137922 1.27363662 1.89681917 -3.16098906 -1.92668559 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00258801-01 196709529 tox21-ror-cho-viability-p1 set2 -3 78.2127246844 -66.0877935504 4.0037795424 -62.084014008 4.9549173134 0.400477568 0.2705522353 -6.72219493 -6.73907756 3.35459487 -0.9888781 -6.55095738 -4.59066753 3.42060916 -6.48056354 -5.48150588 -6.16695041 -1.875935 20.61269927 25.8948066 48.18773081 -51.73667834 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.0000016719999999 0.0000037379999999 0.000008358 0.00001869 0.00004179 0.00009344 753-73-1 12955 144208447 B Dimethyltin dichloride C[Sn](C)(Cl)Cl Tox21_201249 -NCGC00259978-01 196709533 tox21-ror-cho-viability-p1 set2 4 3.58076935 1.62033547 -5.51923792 0.08258809 -2.24303955 -0.36284206 -1.3952171 -0.62786506 -0.26189074 -0.40698407 1.24537183 -1.57073113 -2.04417797 -2.0170653 -0.27926343 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.0000036889999999 0.000008248 0.00001844 0.00004124 0.00009222 84-69-5 6782 144209627 A A Diisobutyl phthalate CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C Tox21_202429 -NCGC00090760-08 196709535 tox21-ror-cho-viability-p1 set2 4 68.1713220381 -15.3402128759 1.5 -13.8402128759 4.0949729863 0.689650398 0.0435113136 0.4698766 -0.88226644 5.63585859 6.12638831 1.64073998 0.9770683 0.49104445 1.20263562 -0.05293496 -0.57584255 2.33367107 0.54839693 -0.14889537 -0.32895128 -10.28351073 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00255267-01 196710356 tox21-ror-cho-viability-p1 set2 4 1.2453673 2.86432836 1.41577571 0.36214007 1.28773095 -0.20234958 -0.92645307 -0.90115417 -0.23889488 1.67781215 0.47946807 -0.97759626 0.12840278 2.86260123 2.32846405 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-19-7 6924 144211958 A A o-Toluenesulfonamide Cc1ccccc1S(=O)(N)=O Tox21_301641 -NCGC00256133-01 196710361 tox21-ror-cho-viability-p1 set2 -1.2 27.3060203028 -42.68799873 0.7836981985 -41.9043005315 4.5044702849 0.9899316276 9E-10 -1.25777516 3.24338845 3.11734446 0.1206586 -0.32356429 2.35526723 0.57362387 0.07089012 0.38206132 1.71496139 2.01227534 -1.09286073 -6.50782172 -36.84096898 -41.08264758 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1134-04-9 70811 144211567 A 2,3,4,5-Tetrachloro-6-(trichloromethyl)pyridine Clc1c(Cl)c(nc(Cl)c1Cl)C(Cl)(Cl)Cl Tox21_301250 -NCGC00263574-01 196704155 tox21-ror-cho-viability-p1 set1 4 6.89412082 5.98074756 3.81003951 3.52590307 -0.62059673 0.76151954 1.61234162 4.03929459 4.93669672 1.58409216 7.68429232 -0.14158235 3.45403671 1.10986059 4.93347376 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59198-70-8 91670 170465700 A Diflucortolone valerate CCCCC(=O)OCC(=O)[C@H]4[C@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3C[C@H](F)C1=CC(=O)C=C[C@@]12C Tox21_112929_1 -NCGC00260349-01 196703720 tox21-ror-cho-viability-p1 set1 -2.4 68.8687250228 -25.441070132 -4.053716108 -29.49478624 0.7999999999 0.7782261036 0.0122470828 -0.52228428 -3.00567186 -3.88967079 -0.46143009 -4.67965332 -4.36995761 -6.95570024 -9.12683503 -5.52402989 -3.10417959 -6.08159558 -7.61800759 -10.26553955 -10.88565514 -21.2456552 1.1839999999E-9 2.648E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.619E-8 1.4799999999E-7 3.309E-7 7.4E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.0000925 13820-41-2 144210001 A Ammonium tetrachloroplatinate(II) [NH4+].[NH4+].[Cl-][Pt+2]([Cl-])([Cl-])[Cl-] Tox21_202803 -NCGC00091499-05 196703721 tox21-ror-cho-viability-p1 set1 4 43.2771256911 -12.26962002 0 -12.26962002 0.3 0.3543820147 0.3184762909 -1.27717812 2.24412713 -0.04142116 -1.06632347 -7.86231679 -0.78377404 -2.83079706 -0.31377458 -2.27782139 0.08078889 -4.56629509 -8.97468335 -1.73542633 -7.62797459 -6.54261493 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00260072-01 196703728 tox21-ror-cho-viability-p1 set1 4 0.0030451011 10.6213089359 -9.1213089359 1.5 0.4 0.5267806947 0.1581010927 -6.35109078 -1.40270468 -4.71865195 0.6377022 -4.02761671 -0.62417741 -0.4167251 -0.47290599 -0.42524916 -0.61296279 4.79701565 0.52282818 -0.55830328 2.990836 0.29865775 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.566E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.000008207 0.00001835 0.00004103 0.00009176 67-56-1 887 144209721 FNS Methanol CO Tox21_202523 -NCGC00159447-07 196704558 tox21-ror-cho-viability-p1 set1 4 -0.55704446 -3.8139003 2.16907938 -0.46697435 -0.44965558 2.00544216 0.31865741 3.35566173 0.22207849 -0.57637148 -0.00260836 3.65336821 1.10404731 0.08662425 4.88536138 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2439-07-8 142766 170465482 F 8-Quinolinol Salicylic acid (1:1) O=C(O)c1ccccc1O.Oc1cccc2cccnc12 Tox21_110005_1 -NCGC00095836-05 196704571 tox21-ror-cho-viability-p1 set1 4 0.3465611 -1.8885988 -0.94025669 -2.52635816 -2.79739344 0.05516382 0.85740806 -3.5262106 -4.18289247 2.35572647 -4.23198797 -47.77967523 1.41713869 -1.5400089 4.76284481 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 489-84-9 3515 170465862 F Guaiazulene CC(C)c1ccc(C)c2ccc(C)c2c1 Tox21_111526_1 -NCGC00163754-04 196704970 tox21-ror-cho-viability-p1 set1 4 4.25242186 -2.82569839 1.98315004 -0.19200136 1.37905329 4.99744724 1.55884179 2.24430819 2.39777785 0.72872098 3.5558728 2.57120809 0.42195347 -0.40974106 1.91455945 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57837-19-1 42586 170466808 A Metalaxyl CC(N(C(=O)COC)c1c(C)cccc1C)C(=O)OC Tox21_112070_1 -NCGC00016954-10 196698033 tox21-ror-cho-viability-p1 set1 4 -4.01098003 1.81003494 -5.99726691 -3.03409435 -2.20829894 -1.94195562 -1.65383077 1.10871084 0.65215084 0.2541006 -2.83001285 3.51753161 0.18704725 0.20460208 0.67903296 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 85798-08-9 55397 170466501 I (-)-Quinpirole hydrochloride Cl.CCCN1CCC[C@@H]2Cc3nncc3C[C@@H]12 Tox21_110707_1 -NCGC00260126-01 196724182 tox21-ror-cho-viability-p1 set3 4 0.029885731 10.084194012 -8.584194012 1.5 1.78848746 0.6247360137 0.0800709504 -11.54345621 -0.29465247 -13.40349501 -12.09250701 -0.97117014 -6.91240473 1.70487282 1.65552241 2.88196909 1.56045337 1.88436813 3.51250194 0.21341418 -0.04084503 0.29569252 5.905E-10 1.32E-9 2.9529999999E-9 6.602E-9 1.476E-8 3.3009999999E-8 7.381E-8 1.651E-7 3.691E-7 8.253E-7 0.000001845 0.000004126 0.000009227 0.000020629999999 0.00004613 25327-89-3 61972 144209775 F Ac Tetrabromobisphenol A diallyl ether Brc1cc(cc(Br)c1OCC=C)C(C)(C)c2cc(Br)c(OCC=C)c(Br)c2 Tox21_202577 -NCGC00247665-04 196698030 tox21-ror-cho-viability-p1 set1 4 -0.5530796 0.09182248 0.91306232 -2.52370695 -1.95286293 0.95258096 -0.01191379 2.58969772 -1.92555392 -1.04874737 -0.63294475 -0.09119445 -1.53971491 1.41518925 -0.09792908 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 58579-51-4 60196296 170465269 A Anagrelide hydrochloride Cl.Oc1cn2Cc3c(Nc2n1)ccc(Cl)c3Cl Tox21_112568_1 -NCGC00091468-02 196698032 tox21-ror-cho-viability-p1 set1 4 -2.72770978 -3.34895308 6.66489064 -1.10790641 -3.83684813 -0.22730222 -1.12950113 -0.70844362 -1.11346346 0.63047917 5.2367926 0.03249138 0.46591615 4.86754214 -0.89301272 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00095109-08 196698038 tox21-ror-cho-viability-p1 set1 4 0.0023710138 -5.2919545719 5 -0.2919545719 4.9549173134 0.5029313492 0.1804480771 1.81375694 8.38253867 0.1364062 1.72650118 1.03309834 0.93075998 -2.32662881 -0.46989879 -1.00314221 -0.04989036 1.45086757 -1.24461427 0.90459491 -0.66406046 -0.29464733 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 93413-69-5 5656 170465123 A Venlafaxine OC1(CCCCC1)C(CN(C)C)c2ccc(OC)cc2 Tox21_111425_1 -NCGC00090776-02 196698437 tox21-ror-cho-viability-p1 set1 4 -0.18192253 -0.23385105 0.2322092 1.23886387 5.44795844 0.01891404 -0.22096554 1.29298206 0.01105187 1.55803975 -0.41869369 1.21244042 0.24985791 2.66127177 0.53825117 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00090789-02 196698440 tox21-ror-cho-viability-p1 set1 4 -10.6185958 1.38724604 -4.23347533 -3.7553184 -2.5279687 -2.41179418 -4.82438532 0.21394768 -9.93596292 0.20423755 -6.32121243 -1.54657199 0.0098981 1.4730795 1.47622801 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00160457-02 196698446 tox21-ror-cho-viability-p1 set1 4 0.16584714 -2.58639642 0.85535618 0.8473918 1.39264871 -3.68008089 1.98457953 -3.08234623 0.85597321 -2.86435878 3.60189923 -4.44742869 1.86647529 2.53266437 1.89573934 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69542-93-4 68888 170466354 A Pivagabine O=C(NCCCC(=O)O)C(C)(C)C Tox21_111827_1 -NCGC00013058-02 196698454 tox21-ror-cho-viability-p1 set1 -1.1 4.2163249602 -86.8094902165 -1.8410442719 -88.6505344884 1.24751 0.9870470716 3.8E-9 1.17145691 1.32661449 0.14137871 -2.6746898 -0.96496295 -0.87809821 -7.32970582 -0.53594438 -8.70843774 -18.12166766 -21.9905448 -39.89839434 -69.75207056 -81.13071309 -82.08382823 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2437-29-8 2724411 170465712 A Malachite green oxalate C/[N+](C)=C1\C=C/C(C=C1)=C(/c2ccccc2)c3ccc(cc3)N(C)C.[O-]C(=O)C(=O)O.[O-]C(=O)C(=O)O.O=C(O)C(=O)O.CN(C)c1ccc(cc1)C(\c2ccccc2)=C3/C=C/C(C=C3)=[N+](/C)C Tox21_110008_1 -NCGC00094574-15 196698456 tox21-ror-cho-viability-p1 set1 4 -4.4394073 -1.47531429 0.57557992 -0.00579052 -4.07320881 -3.79993652 -4.36849438 0.76246471 -4.39238687 -0.04539189 -0.78775434 -1.02911026 -3.55603106 -0.4431589 -10.44895002 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 120068-37-3 3352 170465992 A Fipronil FC(F)(F)S(=O)c1c(N)n(nc1C#N)c2c(Cl)cc(cc2Cl)C(F)(F)F Tox21_111300_1 -NCGC00015452-20 196698447 tox21-ror-cho-viability-p1 set1 4 26.6032120037 -17.665384716 -2.047432028 -19.712816744 0.7999999999 0.654549562 0.0621919678 -3.1266654 -2.16656359 -0.4424306 -4.09028928 -7.01680498 -2.16834094 -2.121259 -2.13595829 -5.97428691 -4.32765564 -0.03952669 -5.8310576 -7.51590425 -7.9643235 -14.76068062 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13311-84-7 3397 170464921 A Flutamide O=C(Nc1cc(c(cc1)[N+]([O-])=O)C(F)(F)F)C(C)C Tox21_110154_1 -NCGC00253992-01 196698861 tox21-ror-cho-viability-p1 set1 -2.2 57.8507107855 -49.0920063076 -4.214617586 -53.3066238936 0.9999999999 0.8066124998 0.0068975683 -3.98975472 -0.4029072 -7.34070581 -4.09708368 -0.70908761 -3.03312401 1.76236988 -7.47838687 -5.9709532 -5.54378613 -17.9805972 -10.35585009 -8.39495723 -21.49044259 -40.38380598 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 464930-42-5 44235958 144210555 A A SSR 240612 Cl.CC(C)N(C)C(=O)[C@@H](Cc2ccc(CN1[C@H](C)CCC[C@@H]1C)cc2)NC(=O)C[C@@H](NS(=O)(=O)c3cc4ccc(OC)cc4cc3)c5ccc6OCOc6c5 Tox21_300235 -NCGC00090952-07 196719274 tox21-ror-cho-viability-p1 set2 4 2.7778767988 10.8428025199 -4.8428025199 6 4.9549173134 0.8391349986 0.0031147963 -3.42511748 -8.13718816 -1.68820294 -0.22843388 -8.6190021 -6.81994304 -4.02420285 -4.40368514 -5.46455845 -4.41549966 4.86183767 5.0844236 7.14377789 5.93381824 4.8485771 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00256759-01 196719263 tox21-ror-cho-viability-p1 set2 4 -0.28257455 -0.60091935 1.64604718 1.56574645 0.58752453 2.26345059 -0.56171164 1.99913017 0.58688938 1.27150819 -1.72839668 -0.15436174 1.2200537 0.85847107 -0.78603941 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24817-51-4 520148 144212815 A A 2-Phenylethyl 2-methylbutanoate CC(CC)C(=O)OCCc1ccccc1 Tox21_302498 -NCGC00254341-01 196719680 tox21-ror-cho-viability-p1 set3 4 0.0009688542 15.0300610639 -18.5394029319 -3.509341868 0.3 0.401212524 0.2736869505 -11.76503565 -14.61616911 -5.02548159 -4.38215269 -7.4947261 -7.86785728 -7.53751952 -4.10997084 -4.58840868 -6.54338382 -6.75983839 -1.25778489 -4.33200989 -6.73190561 -6.00894255 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 215297-27-1 9959619 144210771 A A UK-343664 O=S(=O)(c4cc(C3=Nc2c(CC)n(Cc1ccccn1)nc2C(=O)N3)c(OCCC)cc4)N5CCN(CC)CC5 Tox21_300453 -NCGC00163724-03 196719683 tox21-ror-cho-viability-p1 set3 4 0.0611305649 9.04272598 -10.04272598 -1 1.21 0.5090190802 0.1874905322 -9.49778753 -7.6365091 -15.45227165 -1.79585619 -9.81185393 -9.08099435 1.60245144 -1.73510324 -2.21695348 -1.15605296 -6.67536235 0.96989386 -0.72959294 1.99161158 -10.27626898 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00163735-04 196719685 tox21-ror-cho-viability-p1 set3 4 22.9977616018 -13.77127932 5 -8.77127932 4.9549173134 0.3675074429 0.3027722508 11.57832676 1.37807092 3.94821314 8.30385748 9.26966314 2.47849986 -11.4760661 9.06251729 9.03920988 5.9214828 -3.51194301 13.99466029 -0.09138251 -7.30455614 -9.78953557 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00253705-01 196717186 tox21-ror-cho-viability-p1 set2 4 -1.96735366 -1.56443479 -0.52026675 1.99831892 3.20634973 2.65137407 4.8096213 4.12251243 2.54655639 0.92437899 3.73037675 -0.44430869 -0.42448701 2.85811088 2.56295847 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13338-63-1 25887 170466679 A A 3,4,5-Trimethoxyphenylacetonitrile COc1c(cc(cc1OC)CC#N)OC Tox21_113825 -NCGC00021123-03 196716776 tox21-ror-cho-viability-p1 set2 4 2.04596755 -6.03980285 -2.41006121 -3.48993913 2.08972657 -4.52364664 -1.55958765 0.74297826 -4.36609144 -3.96774673 -2.35920912 -0.18211398 -2.20705324 -0.08452688 2.35083562 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50978-11-5 12598086 170464638 F Diatrizoic acid dihydrate O.O.O=C(C)Nc1c(I)c(c(I)c(NC(C)=O)c1I)C(=O)O Tox21_113395_1 -NCGC00015208-19 196716780 tox21-ror-cho-viability-p1 set2 4 -0.56822394 -5.15396029 -4.40183398 1.03918732 -1.58014662 -5.23329639 2.05984741 0.42840425 0.61268621 0.77474398 -3.21869944 0.00168844 -4.73782061 -0.15593629 -2.62740081 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69-22-7 6241 170464929 A Caffeine O=C(O)C(O)(CC(=O)O)CC(=O)O.O=C2c1n(C)cnc1N(C)C(=O)N2C Tox21_110099_1 -NCGC00164498-02 196716792 tox21-ror-cho-viability-p1 set2 4 -1.47246464 -0.50476651 -3.85815346 -8.07085746 -1.82375167 -0.79066305 -1.47494737 -1.1683011 -5.57489122 -3.32879003 -0.27395576 1.98664413 1.48849737 -2.88767597 -0.63037994 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1027-87-8 3083671 170466170 A Tolpentamide O=C(NS(=O)(=O)c1ccc(C)cc1)NC2CCCC2 Tox21_112136_1 -NCGC00018203-06 196717203 tox21-ror-cho-viability-p1 set2 4 -1.74361444 -5.85586662 -4.01351245 -4.79014077 -0.0049405 -1.60317875 -1.67643889 -3.36456642 0.9035342 -5.81942855 -1.20489093 -3.46562205 -4.72772877 -1.49671193 -0.11616362 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 125-51-9 657306 170466552 A Pipenzolate bromide [Br-].O=C(OC1CCC[N+](C)(CC)C1)C(O)(c2ccccc2)c3ccccc3 Tox21_111378_1 -NCGC00263961-02 196717207 tox21-ror-cho-viability-p1 set2 1.1 9.4391758155 77.6808469696 0.1909992819 77.8718462515 4.4494702849 0.99741396 0 0.7907976 0.89574998 1.66604637 -0.12882244 1.1674459 -0.16851931 0.38901127 1.02843819 -2.32818313 1.09045927 -1.61952709 -0.5798743 38.82568654 74.38247079 77.82362649 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104376-79-6 60196280 170465387 A Ceftriaxone disodium trihydrate [Na+].[Na+].O.O.O.Nc1scc(n1)\C(=N\OC)C(=O)N[C@@H]4C(=O)N3C(=C(CSC2=NC(=O)C([O-])=NN2C)CS[C@@H]34)C([O-])=O Tox21_111386_1 -NCGC00164071-03 196717599 tox21-ror-cho-viability-p1 set2 4 0.21793945 2.03084949 0.5226342 3.15361768 2.44878845 6.30821907 3.24629563 6.02660486 2.19956196 3.1042103 1.07135059 3.4005289 2.47608208 -0.72137599 1.63536757 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 110-27-0 8042 170465683 F Isopropyl tetradecanoic acid CC(C)OC(=O)CCCCCCCCCCCCC Tox21_112080_1 -NCGC00256541-01 196727152 tox21-ror-cho-viability-p1 set3 -1.2 10.8707224818 -66.8792055612 0.3822438474 -66.4969617138 0.8999999999 0.9706713455 4.267E-7 4.02445488 0.86972839 1.37256921 -1.27456168 2.2985156 2.25269299 -7.03224914 -1.83038227 -6.63740975 -14.82932685 -19.76649586 -20.57763047 -41.17591675 -55.17516503 -58.33066817 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 320-67-2 9444 144213302 A B 5-Azacytidine NC1=NC(=O)N(C=N1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O Tox21_302985 -NCGC00094855-06 196697440 tox21-ror-cho-viability-p1 set1 4 -5.72188932 -0.44188103 -1.44496684 2.21792046 -6.53624514 -0.26483213 1.88977237 1.50512607 -2.38107213 -3.29444362 -4.02122117 -3.00354153 -4.3361965 -3.79186586 -4.66097888 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5588-16-9 2122 170466165 A Althiazide NS(=O)(=O)c2cc1c(NC(NS1(=O)=O)CSCC=C)cc2Cl Tox21_111347_1 -NCGC00163111-02 196697443 tox21-ror-cho-viability-p1 set1 4 -1.25029427 -1.44219569 1.10862103 -0.69772096 -3.4709565 -3.83865917 -1.68419173 0.29537295 -5.90283397 0.99580604 -3.69870399 -0.29676056 -1.61008124 -3.69335483 -6.13599165 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 300-39-0 9305 170466794 A 3,5-Diiodo-L-tyrosine Ic1cc(C[C@H](N)C(=O)O)cc(I)c1O Tox21_113061_1 -NCGC00016829-09 196697476 tox21-ror-cho-viability-p1 set1 4 -2.97267098 -2.38443295 -2.8954276 -2.50170017 -7.46540175 -2.40263101 -3.00505596 -10.49049158 -3.40540279 -4.31366676 0.71213841 0.03474119 -3.13079819 -0.77590212 -1.1401398 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 34552-84-6 54677972 170466334 A Isoxicam Cc1cc(no1)NC(=O)C3=C(O)c2ccccc2S(=O)(=O)N3C Tox21_110634_1 -NCGC00256903-01 196726741 tox21-ror-cho-viability-p1 set3 4 3.0077702085 5.5392896599 -1.5392896599 4 3.2474983358 0.4562794461 0.2200982235 0.56869406 0.85601888 -0.8501285 -4.95476709 1.42937541 -6.44708487 0.18131752 0.93224164 -6.69940805 1.14828208 1.11251247 7.01266043 1.71386953 4.251777 4.23751062 1.2789999999E-9 2.86E-9 6.3949999999E-9 1.4299999999E-8 3.1969999999E-8 7.1499999999E-8 1.5989999999E-7 3.5749999999E-7 7.9939999999E-7 0.0000017869999999 0.000003997 0.000008937 0.00001998 0.000044689999999 0.000099919999999 6010-91-9 12338093 144212979 F Pyrimidine-2,4,5,6(1H,3H)-tetrone tetrahydrate O.O.O.O.O=C1C(=O)NC(=O)NC1=O Tox21_302662 -NCGC00256551-01 196727148 tox21-ror-cho-viability-p1 set3 4 -0.36954417 1.1398546 -0.93379799 1.88524296 -1.41188489 2.83334776 0.93971215 2.46701733 1.81960014 -1.05752739 2.75242855 2.43182636 2.06534739 -0.23420015 0.87871575 3.48E-10 7.782E-10 1.74E-9 3.891E-9 8.6999999999E-9 1.945E-8 4.3499999999E-8 9.727E-8 2.1749999999E-7 4.864E-7 0.000001088 0.0000024319999999 0.0000054379999999 0.000012159999999 0.00002719 542-56-3 10958 144213180 Fns Isobutyl nitrite CC(C)CON=O Tox21_302863 -NCGC00257403-01 196727150 tox21-ror-cho-viability-p1 set3 4 0.62050387 -2.86132423 2.33179546 2.55735484 2.21720914 2.41907575 1.43089105 -1.41374639 -1.47241622 1.43092941 1.33253554 -1.79322485 3.6531475 2.00999315 -0.5506298 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1490-04-6 1254 144213774 A A Menthol CC(C)C1CCC(C)CC1O Tox21_303464 -NCGC00066947-05 196727159 tox21-ror-cho-viability-p1 set3 4 -0.90104501 1.62809163 1.71234345 2.58081464 -2.86579043 -15.13266907 -2.59306399 -6.44237503 -1.08880953 -1.60797623 -2.5856208 -23.5640369 -19.27146465 -1.22306988 1.65028013 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00256513-01 196727570 tox21-ror-cho-viability-p1 set3 -2.4 68.5896218971 -27.900318364 -1 -28.900318364 4.9549173134 0.796112133 0.0086486989 -5.97488993 -1.9404699 -7.01119113 1.21336782 -0.52895959 0.51912628 0.05534478 0.41731337 1.10083368 1.78669971 1.93041631 -1.78982654 -5.98311725 -1.87554124 -23.66693197 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 443-48-1 4173 144213111 A A Metronidazole Cc1ncc([N+]([O-])=O)n1CCO Tox21_302794 -NCGC00257137-01 196727573 tox21-ror-cho-viability-p1 set3 4 0.54316889 0.54531867 -6.03389587 -0.74138531 0.23135147 -0.94526397 -6.88837196 0.0947207 -0.24210633 -4.462537 0.13751957 0.65907828 3.09852277 1.48746655 0.15964961 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-41-6 6809 144213636 A Phthalimide O=C1NC(=O)c2ccccc12 Tox21_303319 -NCGC00256358-01 196727574 tox21-ror-cho-viability-p1 set3 4 2.42455549 0 -6.14470046 -19.34246942 -14.1104176 -1.6095494 -0.30136171 0 -2.7742026 0 -0.10958875 -2.89677303 -2.28041364 -1.07493772 -0.17280106 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 636-21-5 12484 144213089 A B 2-Methylaniline hydrochloride Cl.Cc1ccccc1N Tox21_302772 -NCGC00256735-01 196727576 tox21-ror-cho-viability-p1 set3 -2.4 24.3365162115 -22.2292891559 -0.5 -22.7292891559 1.92824246 0.9377172116 0.0000277991 -2.76961201 -0.85490352 -0.08228386 -0.30465299 -0.22441296 -4.25461623 1.00446667 2.24051109 2.20430315 -0.65622524 -0.09596529 -4.18376757 -7.60252926 -16.9517419 -21.02440763 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 6533-00-2 16051930 144213928 A A dl-Norgestrel O=C4CC[C@H]3C(CC[C@@H]2[C@@H]3CC[C@@]1(CC)[C@H]2CCC1(O)C#C)=C4 Tox21_303623 -NCGC00255977-01 196727984 tox21-ror-cho-viability-p1 set3 4 3.84943682 1.30405723 -4.51943527 -8.76088417 6.67964581 -0.54332436 -5.23859662 -5.71341497 10.81577029 2.98703722 -7.64287364 -4.74084599 8.37795367 -3.76905455 1.59812418 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-66-2 8766 144212499 A Ac Diphenyl sulfide c1ccccc1Sc2ccccc2 Tox21_302182 -NCGC00259214-01 196706097 tox21-ror-cho-viability-p1 set1 4 0.0018320862 13.9547679239 -13.9547679239 0 4.0949729863 0.4464369851 0.2456766433 -11.62897327 -1.96589077 -2.14109169 -4.59466991 -3.8260285 4.29043433 0.16840749 3.93122266 3.98897493 -7.57880391 0.85917879 0.89832119 0.13182092 0.66257148 -6.95462047 1.242E-9 2.7759999999E-9 6.208E-9 1.388E-8 3.104E-8 6.941E-8 1.552E-7 3.4699999999E-7 7.76E-7 0.000001735 0.00000388 0.000008676 0.000019399999999 0.00004338 0.000097 51235-04-2 39965 144208863 A A Hexazinone CN(C)C2=NC(=O)N(C1CCCCC1)C(=O)N2C Tox21_201665 -NCGC00259805-01 196706911 tox21-ror-cho-viability-p1 set1 4 0.0050244741 13.5902472479 -11.5902472479 2 4.9549173134 0.835450965 0.003451313 -9.2731386 -13.82520604 -2.22300115 2.65794617 4.49893904 3.33654283 3.36123206 1.4618795 1.01821383 -3.82931472 0.94502097 2.1390589 2.84203197 1.80319216 1.91536662 1.103E-9 2.467E-9 5.517E-9 1.234E-8 2.7589999999E-8 6.168E-8 1.3789999999E-7 3.084E-7 6.8969999999E-7 0.000001542 0.000003448 0.000007711 0.000017239999999 0.000038549999999 0.000086209999999 558-37-2 11210 144209454 FNS 3,3-Dimethyl-1-butene C=CC(C)(C)C Tox21_202256 -NCGC00256340-01 196707316 tox21-ror-cho-viability-p1 set1 4 0.39839723 -0.74010234 -2.5777021 1.78397168 2.40659807 0.53394885 -6.84438205 -9.1155958 -0.40618203 -0.20786955 0.48566471 0.40133896 -2.67663111 2.48348455 5.04988873 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-73-3 8489 144213142 A Ac 1-Chloro-3-nitrobenzene O=[N+]([O-])c1cc(Cl)ccc1 Tox21_302825 -NCGC00257206-01 196707320 tox21-ror-cho-viability-p1 set1 4 1.37686605 0.29461838 2.35940506 1.09501055 -0.03567102 0.18600547 1.61253112 3.01550183 2.01665266 2.98464828 1.84739599 5.3256452 3.03898438 1.90066182 3.66645637 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-52-7 8192 144213541 Ac Fns 1-Chlorododecane CCCCCCCCCCCCCl Tox21_303224 -NCGC00258812-01 196705683 tox21-ror-cho-viability-p1 set1 -2.2 62.6255833649 -58.3068781454 -0.775892161 -59.0827703064 3.9899729863 0.9554137718 0.0000044804 -7.65256871 2.22962604 -0.35434296 -1.90057263 -0.59951199 0.63610032 -0.06547851 0.02081024 3.45379259 -2.67995453 -2.72998854 2.83193631 -3.32765842 -10.40365813 -49.30512902 1.204E-9 2.693E-9 6.021E-9 1.346E-8 3.011E-8 6.732E-8 1.5049999999E-7 3.366E-7 7.527E-7 0.000001683 0.000003763 0.0000084149999999 0.00001882 0.00004208 0.00009408 72-55-9 3035 144208458 A A p,p'-DDE Clc1ccc(cc1)\C(=C(/Cl)Cl)c2ccc(Cl)cc2 Tox21_201260 -NCGC00259879-01 196706087 tox21-ror-cho-viability-p1 set1 -2.4 68.6593799697 -36.722757736 -1 -37.722757736 3.6272481694 0.7008918306 0.0376790133 2.11057142 4.56205782 1.62865562 3.29052821 4.03507354 -4.47436327 -3.9581116 -3.85657413 -10.30248935 6.95019993 -2.0922173 -4.66398878 -5.58344669 -4.93329934 -28.51896478 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.476E-7 3.3009999999E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008253 0.00001846 0.00004127 0.000092279999999 302-79-4 444795 144209528 B C all-trans-Retinoic acid CC=1CCCC(C)(C)C=1/C=CC(\C)=C\C=C\C(\C)=C\C(=O)O Tox21_202330 -NCGC00259196-01 196706090 tox21-ror-cho-viability-p1 set1 4 0.0014748328 13.3541911359 -14.3541911359 -1 4.9549173134 0.4968860896 0.1826408368 -11.54515928 -0.68889909 -2.84538792 -1.61825083 -9.24707115 1.13481777 0.06519461 -1.52744542 1.06147738 0 -3.10095747 0.02276216 0.37378449 1.84729285 1.57497352 1.141E-9 2.552E-9 5.707E-9 1.276E-8 2.854E-8 6.381E-8 1.4269999999E-7 3.19E-7 7.134E-7 0.000001595 0.000003567 0.000007976 0.00001784 0.00003988 0.00008918 102-27-2 7603 144208845 A A N-Ethyl-3-methylaniline CCNc1cc(C)ccc1 Tox21_201647 -NCGC00259378-01 196706103 tox21-ror-cho-viability-p1 set1 4 0.0027084021 6.64427472 -6.64427472 0 2.3331733767 0.3854746626 0.2907120207 -5.5368956 -3.78430566 -0.46422844 -0.16989176 -0.39095727 -0.15414599 0.89216728 0.34861993 2.14789922 4.95560508 -0.43054564 -3.68092742 -4.21041419 -0.00997069 0.44282212 1.172E-9 2.6199999999E-9 5.858E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.275E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.00001831 0.000040929999999 0.00009153 123-33-1 21954 144209027 A A Maleic hydrazide O=C1C=CC(=O)NN1 Tox21_201829 -NCGC00259791-01 196706497 tox21-ror-cho-viability-p1 set1 4 0.0499932719 8.97862672 -8.97862672 0 4.0949729863 0.6870047057 0.0444138991 -7.93942515 -7.97953753 -10.3988556 -10.3250733 -6.53104012 -2.90034584 1.98894879 -2.78273864 -4.11532077 0 -1.72537861 1.43487877 4.476086 -4.81709848 4.70158327 1.2089999999E-9 2.702E-9 6.0429999999E-9 1.3509999999E-8 3.021E-8 6.7559999999E-8 1.511E-7 3.3779999999E-7 7.5539999999E-7 0.000001689 0.000003777 0.000008445 0.00001888 0.000042229999999 0.00009442 110-85-0 4837 144209440 A Piperazine C1CNCCN1 Tox21_202242 -NCGC00259030-01 196706499 tox21-ror-cho-viability-p1 set1 4 1.48197382 5.90992507 6.26201475 4.15988906 0.77449316 0.95151791 1.90287921 1.30659448 4.619779 14.10091066 0.39087427 4.55912508 1.36911533 2.69518352 3.39169632 1.206E-9 2.697E-9 6.0309999999E-9 1.349E-8 3.0149999999E-8 6.743E-8 1.5079999999E-7 3.371E-7 7.538E-7 0.0000016859999999 0.000003769 0.000008428 0.00001885 0.00004214 0.00009423 111-84-2 8141 144208677 FNS Nonane CCCCCCCCC Tox21_201479 -NCGC00259209-01 196706510 tox21-ror-cho-viability-p1 set1 4 1.00661301 2.13996854 4.73804595 4.81502174 -8.2410595 -4.8291127 -4.31690139 8.1960729 4.41802216 -6.80396412 -3.80828045 0.82510428 -5.32821098 0.76104804 -6.97097653 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003668 0.000008201 0.00001834 0.000041009999999 0.00009169 2451-62-9 17142 144208858 A B Triglycidyl isocyanurate O=C4N(CC1CO1)C(=O)N(CC2CO2)C(=O)N4CC3CO3 Tox21_201660 -NCGC00259811-01 196706922 tox21-ror-cho-viability-p1 set1 4 -15.62157044 -2.48074394 -4.44051443 -13.7977623 0.76881717 -8.09607017 -15.43238815 -2.18826614 1.83012212 -5.28779144 -8.03391581 -0.64670339 1.81115037 -5.15010793 2.56724583 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 96-24-2 7290 144209460 A Ac 3-Chloro-1,2-propanediol OCC(O)CCl Tox21_202262 -NCGC00259420-01 196706937 tox21-ror-cho-viability-p1 set1 4 3.48607531 -8.79001274 -2.38246572 0.52314455 -2.25336917 1.44646212 -3.16384647 -5.33362755 -4.26939198 -0.39965462 -7.57540047 -4.03673022 -7.37824407 3.35307543 -0.21973417 1.1919999999E-9 2.6649999999E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004163 0.000093099999999 95-74-9 7255 144209069 A A 3-Chloro-4-methylaniline Nc1cc(Cl)c(C)cc1 Tox21_201871 -NCGC00254937-01 196720118 tox21-ror-cho-viability-p1 set3 4 0.002730602 6.9610393159 -3.4610393159 3.5 3.5117481694 0.3370348819 0.3356893691 -2.88419943 -1.24898114 6.53857384 3.63302912 3.51694881 -0.43280657 0.63764839 4.18895935 7.6947374 -1.24371897 0.22846725 3.99876213 5.8136678 4.3500815 4.38665844 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1112-39-6 66187 144211352 FC Dimethoxydimethylsilane C[Si](C)(OC)OC Tox21_301035 -NCGC00254367-01 196720511 tox21-ror-cho-viability-p1 set3 2.4 33.5389452833 22.5058512879 -2.5058512879 20 3.0654483358 0.9463073861 0.0000124812 -2.53337906 -2.51491 -5.42154274 -3.78349662 -2.16098365 -0.1616338 -5.14389314 -0.98882858 -4.21046405 -0.96886416 -2.75186777 -0.21796594 0.30494195 12.20253802 20.41934481 1.156E-9 2.585E-9 5.781E-9 1.293E-8 2.8899999999E-8 6.463E-8 1.4449999999E-7 3.231E-7 7.226E-7 0.000001616 0.000003613 0.000008079 0.000018059999999 0.00004039 0.000090319999999 2058-46-0 54680782 144210918 A C Oxytetracycline hydrochloride Cl.NC(=O)C=3C(=O)[C@@]4(O)C(O)=C2C(=O)c1c(O)cccc1[C@@](C)(O)[C@H]2[C@H](O)[C@H]4[C@@H](C=3O)N(C)C Tox21_300601 -NCGC00254430-01 196719693 tox21-ror-cho-viability-p1 set3 4 1.66777237 2.2150756 1.82777974 -0.52742499 0.56907609 2.98243524 -3.0861498 3.688899 0.80593412 2.96192883 3.55694208 -0.51037769 1.16041209 2.42292759 -0.84673602 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 108-67-8 7947 144210659 FNS 1,3,5-Trimethylbenzene Cc1cc(C)cc(C)c1 Tox21_300341 -NCGC00254340-01 196720117 tox21-ror-cho-viability-p1 set3 1.4 0.0216899429 31.0050703119 -23.5050703119 7.5 0.2 0.7807778089 0.0116688269 -13.19652387 -16.25422526 -9.07013328 -3.57582755 -7.92991032 -3.81117695 -3.52612225 -4.06884589 -2.73000463 -3.71040577 -2.86352065 -3.35028933 2.76845174 1.00063256 5.51641857 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65-23-6 1054 144210683 A A Pyridoxine Oc1c(CO)c(cnc1C)CO Tox21_300365 -NCGC00254836-01 196720515 tox21-ror-cho-viability-p1 set3 4 0.0054482673 18.561511896 -16.061511896 2.5 0.3 0.5525951492 0.1339624128 -10.00526075 -11.71792658 -4.3966367 0.86920588 -5.26983575 -8.84399687 2.57464739 -2.52993923 -1.4121453 -3.77990594 -1.96493264 1.89069125 1.4826199 0.94992742 3.62983506 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-74-4 249494 144211251 A A 3,7-Dimethyloctane-1,7-diol OCCC(C)CCCC(C)(C)O Tox21_300934 -NCGC00254492-01 196720518 tox21-ror-cho-viability-p1 set3 4 7.03903035 2.00323389 6.82675937 5.49255189 11.62863244 10.08726408 13.21273129 0.18147401 14.56226693 -0.10162428 11.38191429 26.400132 11.33754774 19.42459801 -0.72386963 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112529-15-4 60560 144210901 A A Pioglitazone hydrochloride Cl.CCc1ccc(nc1)CCOc3ccc(CC2SC(=O)NC2=O)cc3 Tox21_300584 -NCGC00253922-01 196720526 tox21-ror-cho-viability-p1 set3 4 0.0410471976 -11.90732364 -16.01006051 -3.84342258 -3.46759264 -7.08733982 -6.94929299 -2.08534154 -3.26264721 -5.0826584 -0.74046669 -1.09334104 -1.27476765 -0.04111163 0.00665977 7.27212396 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-91-8 7965 144210358 FC Cyclohexylamine NC1CCCCC1 Tox21_300038 -NCGC00254750-01 196720536 tox21-ror-cho-viability-p1 set3 4 12.7664969084 -20.3652656 13 -7.3652656 0.3 0.5696115162 0.1200770421 11.54613806 17.39225943 7.18530946 6.50194716 7.07444693 15.96463922 8.99901729 7.72008145 2.77684896 3.08342084 7.48152217 6.99020594 2.63448701 -2.804388 -0.15439238 1.485E-9 3.3199999999E-9 7.423E-9 1.66E-8 3.712E-8 8.3E-8 1.8559999999E-7 4.1499999999E-7 9.2789999999E-7 0.000002075 0.00000464 0.000010369999999 0.000023199999999 0.000051869999999 0.000116 104-54-1 308 144211164 A 3-Phenyl-2-propen-1-ol OCC=Cc1ccccc1 Tox21_300847 -NCGC00259543-01 196720927 tox21-ror-cho-viability-p1 set3 4 24.6090083597 13.3047311319 -3.3047311319 10 4.9549173134 0.9310496959 0.0000482032 -4.26830107 -3.05847761 -2.32767723 -5.25394261 -2.63917818 -4.93931811 -4.94776027 -2.94889885 -4.41564684 -1.88968704 -3.14094234 -0.89090593 -0.84759048 9.09360172 9.57607261 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.977E-8 6.656E-8 1.4879999999E-7 3.3279999999E-7 7.441E-7 0.0000016639999999 0.000003721 0.00000832 0.0000186 0.0000416 0.000093019999999 2807-30-9 17756 144209192 A A 2-Propoxyethanol CCCOCCO Tox21_201994 -NCGC00259606-01 196720939 tox21-ror-cho-viability-p1 set3 4 76.8023216542 -22.66380574 -3 -25.66380574 0.7999999999 0.5287905566 0.1537028764 -6.57972109 -4.06224263 3.06892828 4.67162722 -5.20937837 -5.33965185 -5.91371058 -6.88061493 -5.89866096 -2.16996129 -6.78600566 -6.32087583 -4.8927915 -10.04255757 -18.05317145 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.3169999999E-8 2.944E-8 6.583E-8 1.472E-7 3.2919999999E-7 7.3599999999E-7 0.0000016459999999 0.00000368 0.0000082289999999 0.000018399999999 0.00004115 0.000092 50-28-2 5757 144209255 A A 17beta-Estradiol Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)CC[C@@H]12)c4cc3 Tox21_202057 -NCGC00258945-01 196720943 tox21-ror-cho-viability-p1 set3 4 27.2504920471 8.7669722399 -4.2669722399 4.5 4.9549173134 0.6486606348 0.0657396335 -7.00003704 -5.01824993 -3.1437433 -4.16245918 -6.34469798 -7.3058102 -5.60544707 -3.26442508 -0.90637672 0.29108227 -5.53458136 -5.53020409 -4.26089479 4.87018844 3.17379535 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 139-40-2 4937 144208592 A A Propazine Clc1nc(NC(C)C)nc(NC(C)C)n1 Tox21_201394 -NCGC00259898-01 196720946 tox21-ror-cho-viability-p1 set3 4 -6.44504253 -3.74389629 0.77965203 4.687408 -4.81687094 -8.79501816 -6.84612785 -5.66306586 -7.32882984 0.66672448 -7.0087516 -6.66959099 -5.35658082 -4.75919417 -15.78782357 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 500-66-3 10377 144209547 A A Olivetol Oc1cc(CCCCC)cc(O)c1 Tox21_202349 -NCGC00183852-01 196697483 tox21-ror-cho-viability-p1 set1 4 0.98099351 -4.16438253 3.48207909 2.32571125 5.96036971 0.56470861 0.9894788 1.52431249 1.5030854 0.09346764 2.50510321 2.5003168 3.64709702 1.84910334 3.15099613 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2001-81-2 71809 144206825 A A Diponium bromide [Br-].CC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C2CCCC2 Tox21_113274 -NCGC00253728-01 196697490 tox21-ror-cho-viability-p1 set1 4 1.69044937 5.58154531 5.7788753 2.00167642 0.37237237 1.56672152 1.612861 1.58094191 -1.69862227 0.22968318 0.99321841 1.91992116 1.16163096 -0.33942556 1.03605006 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 100-76-5 7527 170466683 Z Fns Quinuclidine C1CN2CCC1CC2 Tox21_113847 -NCGC00091080-03 196697486 tox21-ror-cho-viability-p1 set1 4 14.4386548602 -16.661106392 1 -15.661106392 2.7202212143 0.9334645539 0.000039594 -0.61082218 1.52271542 1.59927202 1.68841908 -1.27123554 1.60360173 0.04514371 2.34807874 1.12411705 1.93994944 1.58315871 0.67155426 -11.73583637 -11.63379497 -17.21758866 1.121E-9 2.506E-9 5.6039999999E-9 1.2529999999E-8 2.802E-8 6.265E-8 1.401E-7 3.133E-7 7.005E-7 0.000001566 0.0000035019999999 0.000007831 0.00001751 0.00003916 0.00008756 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00164492-02 196697489 tox21-ror-cho-viability-p1 set1 4 2.50257805 0.68896629 5.09794552 -3.56495429 0.94443052 -0.28936272 -0.14790601 2.11283668 0.31899074 0.24454783 1.30989994 0.39409624 0.61153071 0.8357424 4.32660953 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 515-64-0 5343 170465986 A Sulfisomidine Cc2cc(NS(=O)(=O)c1ccc(N)cc1)nc(C)n2 Tox21_112130_1 -NCGC00016256-17 196697506 tox21-ror-cho-viability-p1 set1 4 1.65338997 2.13714833 0.10534255 -1.74853966 3.67385287 1.99043393 -0.25668283 0.39642093 -0.22281711 0.52851428 -0.33905533 0.45610849 0.23009981 -6.21646124 -0.15249409 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-14-0 4993 170464930 A Pyrimethamine CCc1nc(N)nc(N)c1c2ccc(Cl)cc2 Tox21_110332_1 -NCGC00253676-01 196697508 tox21-ror-cho-viability-p1 set1 4 -2.33376881 -0.58627886 -6.17500032 0.00706772 -0.33069328 -1.39397215 0.08416389 1.57441826 0.2391603 -1.43082177 -1.64692341 -1.01016833 0.81178158 -1.79391 2.2600253 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26116-12-1 117295 170466694 Z Fns 1-Ethylpyrrolidin-2-ylmethylamine NCC1CCCN1CC Tox21_113800 -NCGC00183007-01 196697509 tox21-ror-cho-viability-p1 set1 4 -2.84333874 -2.56669658 -2.63044921 -4.76193018 0.23351363 0.11267047 -3.34351909 0.01048128 -1.44285133 -3.03198353 -1.34771186 -2.0395273 -1.75222879 -5.01023621 -7.02684772 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79714-31-1 133264 144206824 B B Risarestat CCCCCOc1ccc(cc1OCC)C2SC(=O)NC2=O Tox21_113273 -NCGC00091505-07 196697510 tox21-ror-cho-viability-p1 set1 4 1.26721307 -1.89475244 0.59454193 0.79029416 0.31843502 1.08513392 0.09451344 6.86271617 0 0.69509603 -0.04775306 0.54851916 1.33498695 7.52346194 7.55851812 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67-20-9 4509 170464739 A Nitrofurantoin O=[N+]([O-])c2ccc(/C=N/N1CC(=O)NC1=O)o2 Tox21_111142_1 -NCGC00163815-04 196697516 tox21-ror-cho-viability-p1 set1 -2.1 54.4826732819 -95.5752537714 -1.867010141 -97.4422639124 2.4729283767 0.9875871456 2.9E-9 -5.13736116 -1.90910538 -2.33050354 -1.31456888 0.68353784 0.16176591 -1.14669692 -2.37095948 -2.81358712 -1.78646718 -1.65996016 -1.17956555 -13.95004318 -30.52650596 -77.98656357 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00159446-03 196697544 tox21-ror-cho-viability-p1 set1 4 -0.1871833 2.41115072 -0.59464238 0.27685256 1.58553015 0.02559597 -0.92265969 4.53012487 1.68843759 0.74896908 2.05835391 3.29385165 -0.80256879 1.54773171 2.1335219 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 339-43-5 9564 170466249 A Carbutamide Nc1ccc(cc1)S(=O)(=O)NC(=O)NCCCC Tox21_111673_1 -NCGC00015669-07 196697547 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -11.5934510919 -0.5 -12.0934510919 4.9549173134 0.6483885577 0.0665200373 -0.86047091 -0.34737341 -1.11742732 0.40045899 -5.70577664 -0.52327509 -3.01825269 0.89184016 0.77387051 -0.74092431 -1.1194245 0.12127701 0.41182346 0.18054176 -10.07787591 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17780-75-5 28767 170466297 A Clorgyline hydrochloride Cl.Clc1cc(Cl)ccc1OCCCN(C)CC#C Tox21_111243_1 -NCGC00256626-01 196707720 tox21-ror-cho-viability-p1 set1 4 -0.24837192 -0.83883134 -1.71847616 -0.65136463 -7.86625662 -3.78760667 -0.60322917 6.89596368 0.41506808 -4.32336116 4.286018 0.11682526 -3.35556679 3.34632229 6.34351245 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1897-52-5 74695 144212836 Ac 2,6-Difluorobenzonitrile N#Cc1c(F)cccc1F Tox21_302519 -NCGC00256572-01 196707736 tox21-ror-cho-viability-p1 set1 4 5.51685344 5.03400142 0.53560045 0.04879189 2.28301943 1.91174458 5.73499597 -0.20913546 5.6440559 0.0495788 4.57656033 1.6395172 -1.18420176 0.65804904 -1.48679788 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 110-12-3 8034 144213223 Fns 5-Methyl-2-hexanone CC(C)CCC(C)=O Tox21_302906 -NCGC00257360-01 196707743 tox21-ror-cho-viability-p1 set1 -2.1 27.3060203028 -82.0432454135 0.4494758999 -81.5937695136 2.3031167061 0.9852828599 8E-9 1.72489033 2.70398089 2.395762 1.29626405 -0.50902143 -6.84297923 5.51134932 0.83071524 0.89835879 0.22224883 -0.68345036 -9.72310921 -22.48366595 -59.08800329 -79.99389168 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-24-4 6928 144213674 A A 2,2'-Methylenebis(ethyl-6-tert-butylphenol) CC(C)(C)c2cc(cc(Cc1cc(CC)cc(c1O)C(C)(C)C)c2O)CC Tox21_303358 -NCGC00256797-01 196708138 tox21-ror-cho-viability-p1 set1 4 0.4855773367 6.428492796 1.571507204 8 0.4 0.3684634471 0.3061981125 4.25384979 2.35109068 1.81258058 2.01843884 -0.35707733 6.54118561 5.59716909 5.53088359 3.39127111 1.46747431 6.5742552 10.98174363 7.93215373 5.13769963 6.41126701 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2638-94-0 92938 144212830 I I 4,4'-Diazene-1,2-diylbis(4-cyanopentanoic acid) O=C(O)CCC(C)(/N=N/C(C)(C#N)CCC(=O)O)C#N Tox21_302513 -NCGC00256434-01 196708159 tox21-ror-cho-viability-p1 set1 4 -7.43544995 -2.57359099 0.93590836 -6.44185379 -7.0161678 -14.86100981 -15.14676559 -4.00853981 -5.02080129 -7.72753349 7.6170649 -11.50491718 1.1650048 1.9577 1.35341404 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-93-0 7966 144213120 F F Cyclohexanol OC1CCCCC1 Tox21_302803 -NCGC00259783-01 196708550 tox21-ror-cho-viability-p1 set2 4 1.25803532 0.57339897 0.77741565 -0.85161576 0.96508294 2.66454143 0.26619647 0.7743385 0.25596517 2.4402702 4.32922276 6.30775571 6.26366877 6.03277808 2.38236981 1.204E-9 2.692E-9 6.019E-9 1.346E-8 3.009E-8 6.729E-8 1.5049999999E-7 3.365E-7 7.5239999999E-7 0.000001682 0.0000037619999999 0.000008412 0.000018809999999 0.00004206 0.00009405 556-82-1 11173 144209432 B A 3-Methyl-2-buten-1-ol C/C(C)=C\CO Tox21_202234 -NCGC00259288-01 196708554 tox21-ror-cho-viability-p1 set2 4 -1.4798839 0.14011737 -0.31019507 -2.05331404 -0.91551094 -0.17151048 -1.10442711 -0.78854964 -0.1813748 -0.70244488 -1.39226502 0.71143687 -1.15225278 0.57336073 6.42528197 1.1689999999E-9 2.6129999999E-9 5.844E-9 1.3069999999E-8 2.922E-8 6.5339999999E-8 1.461E-7 3.267E-7 7.305E-7 0.0000016329999999 0.000003652 0.000008167 0.00001826 0.000040829999999 0.000091309999999 2530-85-0 17318 144208937 D 3-(Trimethoxysilyl)propyl methacrylate CO[Si](CCCOC(=O)C(=C)C)(OC)OC Tox21_201739 -NCGC00258944-01 196708562 tox21-ror-cho-viability-p1 set2 4 -0.95627661 -0.48705797 -1.1124242 -1.6809993 -1.27012558 -0.36008224 2.54694385 -0.45678376 0.32814665 -1.27118027 1.75408226 0.68730896 5.77253175 3.74876365 3.68854176 1.172E-9 2.621E-9 5.8609999999E-9 1.311E-8 2.931E-8 6.553E-8 1.465E-7 3.277E-7 7.327E-7 0.0000016379999999 0.0000036629999999 0.000008192 0.00001832 0.00004096 0.00009159 3056-17-5 18283 144208591 A A Stavudine CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@@H](CO)O2 Tox21_201393 -NCGC00258892-01 196708566 tox21-ror-cho-viability-p1 set2 -1.1 21.6458352432 -101.9909410965 0.5617332809 -101.4292078156 1.5385888099 0.9711542269 3.881E-7 1.33647985 1.12393759 -0.53944238 0.56352171 -1.75152303 1.2971405 -0.26445313 0.09355686 0.03646117 -0.41384886 -1.6014347 -29.21864162 -32.56920522 -82.73112792 -88.04618734 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009203 95-32-9 7231 144208538 B B 2-(Morpholin-4-yldithio)-1,3-benzothiazole c1cccc2sc(nc12)SSN3CCOCC3 Tox21_201340 -NCGC00259121-01 196708569 tox21-ror-cho-viability-p1 set2 4 -4.31899579 0.26785841 -0.56474174 -5.51701154 -0.06719574 -4.14651936 -0.03577575 1.94948653 -1.42971897 1.79111835 -2.32311578 -0.84844652 -5.8589934 -2.18393293 1.99045531 1.152E-9 2.575E-9 5.759E-9 1.288E-8 2.879E-8 6.439E-8 1.44E-7 3.219E-7 7.199E-7 0.00000161 0.000003599 0.000008048 0.000018 0.00004024 0.00008998 2212-67-1 16653 144208770 A A Molinate O=C(SCC)N1CCCCCC1 Tox21_201572 -NCGC00255601-01 196707760 tox21-ror-cho-viability-p1 set1 4 -0.6886392 -4.22648492 0.31301528 0.50163066 -0.94178508 -4.24874942 0.64721815 -4.620468 0.25880289 -4.90051852 0.54604638 1.52731053 0.14074066 -0.64800246 -5.92384882 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2433-14-9 75518 144212080 A A 4-Cyclohexylcyclohexanol OC1CCC(CC1)C2CCCCC2 Tox21_301763 -NCGC00256987-01 196707746 tox21-ror-cho-viability-p1 set1 4 27.3060203028 5.9231203161 -17.496921632 -11.5738013159 4.9549173134 0.3481532296 0.3243115356 -16.56990448 -20.34033297 -14.70763692 -18.4414414 -20.94616301 -15.59095428 -16.11231043 -13.97783363 -12.24320012 -20.36791112 -21.66410136 -19.90394221 -18.19276551 -10.89483443 -12.42335059 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-00-0 7361 144213410 Ac Furfuryl alcohol OCc1ccco1 Tox21_303093 -NCGC00256632-01 196707747 tox21-ror-cho-viability-p1 set1 -1.1 27.3060203028 -80.8237319105 -3.5647237719 -84.3884556824 4.9549173134 0.97652053 1.196E-7 0.19496394 -2.60203719 -8.48310099 -0.97293448 -1.80743913 -3.42441976 -1.93768246 -3.03088845 -2.82932607 -5.32926784 -1.15753649 -14.70446982 -9.06210115 -79.98948003 -80.45227378 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3282-73-3 18669 144212925 A A Didodecyldimethylammonium bromide [Br-].C[N+](C)(CCCCCCCCCCCC)CCCCCCCCCCCC Tox21_302608 -NCGC00254338-01 196699269 tox21-ror-cho-viability-p1 set1 -2.1 48.5577336745 -84.5154906335 0.3715801139 -84.1439105196 1.8616924601 0.9556016955 0.0000043715 -0.91668747 5.26608483 2.9513737 -0.36712791 2.73395228 2.29367283 3.84919433 -1.00428038 -1.12686181 0.62920799 -12.35688769 -1.27209309 -12.39509428 -32.03590898 -66.01811403 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-58-4 2374 144210703 A F 2,5-Di-tert-butylbenzene-1,4-diol CC(C)(C)c1cc(O)c(cc1O)C(C)(C)C Tox21_300385 -NCGC00254307-01 196698875 tox21-ror-cho-viability-p1 set1 4 -5.83355698 -0.21259329 0.57960962 0.02393837 -6.72946514 -0.29841812 -8.47390919 2.98084554 0.47039765 -5.04067572 -3.28802374 -3.54834392 -4.62144154 -8.77267116 -3.35145462 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-56-0 1349907 144210850 A A Methimazole S=C1NC=CN1C Tox21_300532 -NCGC00254764-01 196698876 tox21-ror-cho-viability-p1 set1 4 -1.15252722 3.46829224 1.1967511 0.54221072 -1.02414297 0.24765786 -1.51911925 0.72443788 -0.88153262 -0.84217539 0.14220707 0.99955418 1.01888613 2.15048643 0.50269246 5.2499999999E-10 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 298-04-4 3118 144211178 A Disulfoton CCSCCSP(=S)(OCC)OCC Tox21_300861 -NCGC00163724-03 196699268 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -18.823145684 1.5 -17.323145684 4.9549173134 0.9438516205 0.0000161584 1.53618891 1.18708992 2.88963081 1.07752632 0.65122777 3.19037565 0.40650578 1.4558967 1.56674131 0.64342051 1.52293767 0.31360239 -0.27812759 0.89363646 -14.01928807 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00254481-01 196699275 tox21-ror-cho-viability-p1 set1 4 2.70352237 0.3970401 -3.44345534 0.52813725 -0.19189211 2.91837486 5.04931542 3.72142806 5.7865541 3.1966609 -0.72339316 3.36390635 4.36215479 5.16492731 6.09592498 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1563-66-2 2566 144210940 A A Carbofuran CNC(=O)Oc1cccc2CC(C)(C)Oc12 Tox21_300623 -NCGC00254570-01 196699287 tox21-ror-cho-viability-p1 set1 4 -3.88404931 0.43262214 -3.81864913 0.71706352 1.08758872 -6.34746769 1.6741531 -0.93689587 0.69920389 0.37674669 -1.08896686 1.36804123 -5.70487834 1.26120607 -4.73554286 1.361E-9 3.044E-9 6.8069999999E-9 1.522E-8 3.404E-8 7.61E-8 1.7019999999E-7 3.805E-7 8.509E-7 0.000001903 0.0000042539999999 0.000009513 0.000021269999999 0.00004757 0.0001064 123-33-1 21954 144210979 AC Maleic hydrazide O=C1C=CC(=O)NN1 Tox21_300662 -NCGC00254220-01 196699291 tox21-ror-cho-viability-p1 set1 4 -1.19932121 -2.45513318 -0.13197398 0.99271429 0.49007327 -0.6774675 -1.19015803 0.56825273 -0.12728069 0.65654406 0.8483755 -3.14936524 0.38043393 -1.28220737 -1.01520448 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-02-7 980 144210437 A A 4-Nitrophenol O=[N+]([O-])c1ccc(O)cc1 Tox21_300117 -NCGC00259770-01 196721336 tox21-ror-cho-viability-p1 set3 4 39.0026498224 -19.10098298 -2 -21.10098298 0.7 0.5047346221 0.1747935881 -5.14739755 -4.97436754 -0.66682396 1.32028663 -3.04069851 -7.28389807 -6.91036104 -5.74037701 -1.81939386 2.06928477 -5.24767949 -7.34195877 -13.24156054 -7.01050616 -16.75081915 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.3289999999E-7 7.445E-7 0.000001665 0.0000037219999999 0.000008324 0.00001861 0.00004162 0.00009306 57-68-1 5327 144209419 A A Sulfamethazine O=S(=O)(Nc1nc(C)cc(C)n1)c2ccc(N)cc2 Tox21_202221 -NCGC00259939-01 196720947 tox21-ror-cho-viability-p1 set3 4 30.7313538754 9.621615944 -5.121615944 4.5 4.9549173134 0.5416137139 0.1435060485 -6.97018574 -6.12246902 -5.12443172 2.87400536 -4.23684016 -5.53097304 -7.60134662 -7.14439459 -7.27933469 -2.78425679 -7.0820857 -2.18108958 -6.01766885 3.27997434 3.75709123 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 78-69-3 6548 144209588 A A 3,7-Dimethyl-3-octanol CCC(C)(O)CCCC(C)C Tox21_202390 -NCGC00259184-01 196721329 tox21-ror-cho-viability-p1 set3 -2.4 78.2127246844 -29.777243292 2.5 -27.277243292 4.9549173134 0.7739346524 0.0131666168 0.13675546 4.7709131 3.12754968 7.34416919 1.93026466 1.66869056 0.00517245 0.4434442 3.08921167 2.18100709 -1.27041161 -0.17373628 0.98428271 9.38101741 -21.06436941 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.000001671 0.0000037379999999 0.000008357 0.00001869 0.00004179 0.00009344 72-56-0 6295 144208833 A Ac p,p'-Ethyl-DDD ClC(Cl)C(c1ccc(CC)cc1)c2ccc(cc2)CC Tox21_201635 -NCGC00259127-01 196721331 tox21-ror-cho-viability-p1 set3 4 -12.00832468 -12.95602463 -5.40851565 1.09619306 -4.79470854 -5.91626752 -4.86870946 -11.68517771 -5.25411984 -2.58072143 -6.77146598 -12.11159776 -12.32112307 -11.73327774 -12.5968888 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.626E-8 1.482E-7 3.3129999999E-7 7.408E-7 0.000001656 0.000003704 0.000008282 0.00001852 0.000041409999999 0.000092599999999 2176-62-7 16584 144208776 Pentachloropyridine Clc1c(Cl)c(Cl)nc(Cl)c1Cl Tox21_201578 -NCGC00244579-01 196721343 tox21-ror-cho-viability-p1 set3 -2.2 68.5896218971 -37.123469328 -4 -41.123469328 2.7202212143 0.8941028726 0.0004301643 -6.07541184 -4.28446782 -4.16819776 1.23023116 -5.70243941 -6.98262882 -6.5435513 -7.18573019 -6.07835148 -1.86690631 -5.89159865 -3.43926588 -5.80673752 -10.72437466 -30.93622444 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00255307-01 196700076 tox21-ror-cho-viability-p1 set1 4 43.2771256911 -9.162799916 -0.5 -9.662799916 2.7202212143 0.6626407918 0.0582493644 0.00360698 -2.81481115 -0.81203269 -0.73388202 -2.64006707 -1.02437854 -0.7545513 0.68203259 -1.72770788 0.81979239 0.48011079 3.94363521 0.01903435 -5.24082093 -8.46899993 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 480-40-0 5281607 144212652 A A Chrysin Oc2cc(O)cc1OC(=CC(=O)c12)c3ccccc3 Tox21_302335 -NCGC00254957-01 196699665 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -17.058231468 1 -16.058231468 4.9549173134 0.8624226603 0.0015395109 -0.92096066 0.69715571 1.33923204 -0.60135476 0.08988588 1.27380812 3.03576294 0.44078974 3.47798563 -0.28875301 2.27824056 0.36333512 2.73504629 1.80876758 -12.96519289 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 489-01-0 10269 144211372 A Ac 2,6-Di-tert-butyl-4-methoxyphenol CC(C)(C)c1cc(cc(c1O)C(C)(C)C)OC Tox21_301055 -NCGC00253965-01 196699678 tox21-ror-cho-viability-p1 set1 4 -0.35104034 4.57536487 0.48494347 0.31258675 -0.73425592 -7.15566103 2.28731167 4.48695648 -0.82266688 0.22172365 -0.53878934 1.95780129 2.18009904 -0.35403263 0.66349618 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 584-84-9 11443 144210480 FNS Toluene-2,4-diisocyanate O=C=N/c1cc(ccc1C)\N=C=O Tox21_300160 -NCGC00255225-01 196700075 tox21-ror-cho-viability-p1 set1 -1.1 15.3553036427 -94.8740424201 0.5734392849 -94.3006031352 3.0654483358 0.9934832972 1E-10 0.07573783 0.23746961 -1.16618187 0.34495774 -4.47804172 4.01247267 -0.08624659 2.3466868 0.66123062 4.00458613 -0.2569723 -9.92050128 -59.38334903 -95.25313448 -89.4718139 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58-27-5 4055 144211684 A F Menadione O=C2C=C(C)C(=O)c1ccccc12 Tox21_301367 -NCGC00255682-01 196700079 tox21-ror-cho-viability-p1 set1 4 0.3063785869 5.6687039399 -1.6687039399 4 1.34431 0.5874492988 0.1075881005 0.34373968 0.21933813 -5.97391995 -0.35130071 -3.66962863 0.03948348 0.17661235 1.29082745 1.45617834 4.31866171 4.92372448 3.25970364 0.88737113 8.16445543 2.70906774 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5836-29-3 54678504 144211569 A A Coumatetralyl OC=1c4ccccc4OC(=O)C=1C3CCCc2ccccc23 Tox21_301252 -NCGC00163906-02 196700083 tox21-ror-cho-viability-p1 set1 4 34.3762428541 11.5585523319 -1.5585523319 10 0.5999999999 0.5317048258 0.1525266505 3.17391658 -3.51218802 -3.25698689 -0.33286449 -5.04879361 0.78719508 -4.75175887 0.02213015 1.18752298 1.44531968 0.38416456 2.44499326 0.08385746 5.02354814 7.24960594 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00255618-01 196700089 tox21-ror-cho-viability-p1 set1 -2.4 20.7668542327 -22.847169496 2.5 -20.347169496 4.0949729863 0.9628569116 0.0000016275 0.30879484 1.28493592 1.87531877 3.75793693 5.44586527 2.4913532 0.75849418 5.42367034 4.14657093 2.72700172 1.34996453 1.39886024 -5.52328556 -18.38075823 -20.70597458 1.1379999999E-9 2.546E-9 5.692E-9 1.2729999999E-8 2.8459999999E-8 6.3639999999E-8 1.423E-7 3.182E-7 7.115E-7 0.0000015909999999 0.0000035579999999 0.000007955 0.000017789999999 0.00003978 0.00008894 71422-67-8 91708 144211884 A Chlorfluazuron Fc1cccc(F)c1C(=O)NC(=O)Nc3cc(Cl)c(Oc2ncc(cc2Cl)C(F)(F)F)c(Cl)c3 Tox21_301567 -NCGC00256245-01 196700495 tox21-ror-cho-viability-p1 set1 4 2.50940947 1.4963172 0.74985109 1.98664099 1.348191 -0.30674981 2.02406745 1.95258248 -0.6764144 3.69303048 0.51156769 0.80001848 2.07692015 -0.05481597 5.39869052 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7492-70-8 24114 144212101 A A 1-Butoxy-1-oxopropan-2-yl butanoate O=C(CCC)OC(C)C(=O)OCCCC Tox21_301784 -NCGC00255633-01 196700511 tox21-ror-cho-viability-p1 set1 4 0.44989539 2.17984413 2.19771427 1.54126519 0.43704961 4.01253401 -0.37506485 -0.99128449 -0.95949416 5.30745399 0.32878001 1.33014659 3.61553468 1.50181129 4.86685298 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23778-52-1 90255 144211789 Ac Ac 2,5,8,11,14-Pentaoxahexadecan-16-ol COCCOCCOCCOCCOCCO Tox21_301472 -NCGC00186654-01 196697591 tox21-ror-cho-viability-p1 set1 4 1.9325493 3.33001908 4.75653511 -0.34855822 5.41849281 1.91540806 0.63858787 2.91269514 2.2863498 0.61325208 4.09703182 0.06291205 0.57069698 5.11049257 1.5206615 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 723-46-6 5329 170464637 A Sulfamethoxazole Cc2cc(NS(=O)(=O)c1ccc(N)cc1)no2 Tox21_110480_1 -NCGC00159400-07 196697553 tox21-ror-cho-viability-p1 set1 4 0.6113043 6.09398622 4.39488534 3.26162675 -0.93442072 -0.96215329 -1.18747832 0.72966694 -0.0733877 1.17641433 0.9457753 0.89650501 2.06276287 0.20490127 1.61807392 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 100-55-0 7510 170466803 Z Nicotinyl alcohol OCc1cccnc1 Tox21_113448_1 -NCGC00181910-01 196697582 tox21-ror-cho-viability-p1 set1 4 -2.02968703 -2.87458832 -3.53830982 -0.53289328 -6.04122595 0.12401865 0.24200791 2.13817236 -4.9205844 0.26613902 2.13700867 -1.5196288 0.7815017 -1.92636133 -2.63668187 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25439-20-7 32995 144206886 A A N,N-Dimethyl-2-(2-phenylacetamido)acetamide O=C(Cc1ccccc1)NCC(=O)N(C)C Tox21_113335 -NCGC00255161-01 196710619 tox21-ror-cho-viability-p1 set2 4 -6.28440899 -5.25202708 -5.3967554 -6.13945347 0.1494575 -2.8871555 -0.71460784 -6.89813724 2.04859268 -0.86321473 0.1692925 -1.74868353 2.96957313 2.60406116 -4.06876462 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 689-11-2 12715 144212020 A A sec-Butylurea CC(CC)NC(N)=O Tox21_301703 -NCGC00163735-04 196711419 tox21-ror-cho-viability-p1 set2 4 14.5106065892 -10.628372372 1.5 -9.128372372 2.2526478767 0.8316671066 0.0057278291 0.27915665 0.92396423 0.33698443 4.42866095 0.41601914 0.21580396 3.08576811 4.48057485 1.87936326 0.8012038 0.79536625 -0.31609679 -5.92212256 -8.44031031 1.44980673 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00163903-03 196711421 tox21-ror-cho-viability-p1 set2 4 -1.62551044 -3.36331101 -9.88483325 -6.38430079 -5.1635017 -17.75536057 -32.48672747 -7.03011861 -12.68229069 -37.59673918 -20.48380307 -5.9243809 -8.35707155 -8.51479991 -2.61643339 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00357270-01 196711424 tox21-ror-cho-viability-p1 set2 4 6.00761383 3.67095059 3.71494036 5.38151845 4.0507945 4.65156659 7.02287749 9.46046845 9.32648004 7.21393283 6.87629452 6.75388456 6.37223723 12.87192766 0.68508908 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 927-62-8 13563 251919815 Fns N,N-Dimethylbutylamine CCCCN(C)C Tox21_303901 -NCGC00255887-01 196710610 tox21-ror-cho-viability-p1 set2 4 -1.13966067 3.57348848 2.18109621 1.75746704 3.15060086 -1.29980374 -0.71783373 2.91182487 1.20081211 -0.36330469 0.84690948 -0.19398661 3.48881075 0.15382082 0.99638774 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 29836-26-8 62852 144212479 A A Octyl beta-D-glucopyranoside OC[C@H]1O[C@@H](OCCCCCCCC)[C@H](O)[C@@H](O)[C@@H]1O Tox21_302162 -NCGC00255599-01 196710613 tox21-ror-cho-viability-p1 set2 2.4 61.0684034629 35.336554064 1.163445936 36.5 3.1319983358 0.9482759935 0.0000101734 3.11495822 3.66771509 0.74779754 2.88249749 -0.80591575 3.56096171 -1.34373079 2.40257012 -1.53046172 0.48055158 -0.23049708 0.92318149 2.26582304 8.73075317 29.01427836 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 5259-88-1 21330 144211648 A A Oxycarboxin CC=1OCCS(=O)(=O)C=1C(=O)Nc2ccccc2 Tox21_301331 -NCGC00255706-01 196710616 tox21-ror-cho-viability-p1 set2 4 1.02861807 -3.58166822 -2.98593433 -2.91585568 0.9202876 -0.00393916 -3.78445002 -0.68802307 -0.9287247 2.22351607 1.27998997 -2.93480683 -4.44541619 2.19887258 -0.76144694 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 824-39-5 69985 144211778 A A Sodium 2-nitrophenolate [Na+].O=[N+]([O-])c1ccccc1[O-] Tox21_301461 -NCGC00255619-01 196710627 tox21-ror-cho-viability-p1 set2 -2.4 34.3762428541 -24.322672376 1.5 -22.822672376 3.1319983358 0.9444120695 0.0000150539 5.01422325 0.19078499 1.90600506 2.66115368 1.51331614 2.16873279 1.1962368 -0.63711785 3.20650207 -1.57733211 -1.07556933 0.55778865 -1.13510773 -15.28181989 -22.35222698 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135-62-6 67274 144212309 A A 3-Hydroxy-2-naphthoic o-anisidide COc3ccccc3NC(=O)c1cc2ccccc2cc1O Tox21_301992 -NCGC00091044-02 196711023 tox21-ror-cho-viability-p1 set2 4 0.42569391 7.32713646 5.14570062 0.03512613 0.09984068 0.27661281 0.43603354 0.59619465 -1.42362727 -1.50726373 -0.09782152 -0.37427527 -1.15285748 4.43336738 -1.1834702 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00260395-01 196711441 tox21-ror-cho-viability-p1 set2 4 -0.78297826 -9.84276418 -13.18699511 -1.13672957 -1.49805931 -0.50993915 -7.55792988 -10.37133912 -4.54231188 -0.0203151 -6.4374864 -4.57073599 0 -13.22002691 -4.81231723 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9569999999E-8 6.613E-8 1.479E-7 3.306E-7 7.394E-7 0.0000016529999999 0.000003697 0.000008266 0.00001848 0.00004133 0.00009242 589-10-6 68526 144210047 A F Benzene,(2-bromoethoxy)- BrCCOc1ccccc1 Tox21_202849 -NCGC00257877-01 196711859 tox21-ror-cho-viability-p1 set2 4 0.31853465 -5.1172512 -2.25679227 -3.39290933 -1.96853457 -23.05451785 -39.30313226 -2.16034448 -4.28741075 -5.98638413 -14.7615943 -20.6458825 -2.20148823 -1.72188143 1.87413958 1.187E-9 2.6549999999E-9 5.937E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.3189999999E-7 7.421E-7 0.000001659 0.0000037099999999 0.000008297 0.00001855 0.000041479999999 0.00009276 523-87-5 10660 144207521 M M Dimenhydrinate CN(C)CCOC(c1ccccc1)c2ccccc2.O=C2c1nc(Cl)nc1N(C)C(=O)N2C Tox21_200323 -NCGC00260080-01 196711864 tox21-ror-cho-viability-p1 set2 2.4 67.1274458943 26 2 28 0.9999999999 0.8583854892 0.0017437899 0.84549687 0.34780427 0.17387035 1.93090113 2.32620466 3.4196259 1.8316816 3.21638652 4.73755838 3.66993791 3.65606755 3.44738475 7.50742687 8.061804 21.49460224 1.159E-9 2.592E-9 5.7959999999E-9 1.2959999999E-8 2.898E-8 6.48E-8 1.449E-7 3.24E-7 7.245E-7 0.00000162 0.000003623 0.000008101 0.000018109999999 0.000040499999999 0.00009057 25703-79-1 13539 144209729 F Fns Poly(2-hydroxypropyl methacrylate) CC(=C)C(=O)OCC(C)O Tox21_202531 -NCGC00260475-01 196711865 tox21-ror-cho-viability-p1 set2 4 3.26234776 2.73923447 3.71340992 5.14955139 3.72599567 7.71329403 6.29640556 9.69331213 8.47590932 9.12905835 6.87687319 6.55054522 7.50580403 4.74157345 -0.08656748 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.299E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.00001844 0.00004124 0.00009222 552-89-6 11101 144210127 A A 2-Nitrobenzaldehyde O=[N+]([O-])c1ccccc1C=O Tox21_202929 -NCGC00356959-01 196703786 tox21-ror-cho-viability-p1 set1 4 -3.67474701 1.13688953 -0.5080007 -0.62637444 0.42669842 -0.15542139 0.04748955 -1.39391555 -5.93415421 -7.01990522 -0.22644102 0.8564118 1.44969336 2.54453858 2.76380117 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123-02-4 31238 251919699 F 1-Phenyltridecane CCCCCCCCCCCCCc1ccccc1 Tox21_303706 -NCGC00257688-01 196702543 tox21-ror-cho-viability-p1 set1 4 3.35613132 2.82838317 5.90892145 6.55883348 0.37987756 -5.66046381 3.04267673 5.80746715 4.3189109 -0.98531725 4.1183372 -1.11176465 5.32555996 -0.89236202 -2.34349563 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004133 0.000092409999999 156-51-4 61100 144207332 FNS Phenylethylhydrazine sulfate O=S(=O)(O)O.NNCCc1ccccc1 Tox21_200134 -NCGC00357161-01 196703354 tox21-ror-cho-viability-p1 set1 4 -0.7608586 4.89243777 1.7198256 1.06609287 -1.20039627 0.20973666 2.07643925 1.46468479 1.47004117 -1.14957995 -0.49839951 0.70289461 7.01175362 2.82044277 7.2607866 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-97-7 8027 251919652 A Pyrrole c1cccn1 Tox21_303910 -NCGC00356978-01 196703771 tox21-ror-cho-viability-p1 set1 4 12.1971512362 -11.670774108 -1.5 -13.170774108 0.7 0.5564713971 0.1310277404 0.44131919 -1.84848937 -2.42001166 -1.36463766 -1.26200041 -6.03508781 1.33735585 -0.92883646 -1.24054612 -10.88838623 -0.75883016 -5.13110507 -8.43044316 -12.22564509 -9.32169221 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2051-62-9 16323 251919750 A 4-Chlorobiphenyl Clc1ccc(cc1)c2ccccc2 Tox21_303788 -NCGC00253749-01 196704183 tox21-ror-cho-viability-p1 set1 4 0.18703745 0.93573239 0.23839702 -0.1792533 -3.79651823 0.34842727 0.92251404 3.70946951 -2.3577973 -5.34428092 0.528105 2.98540849 0.37762709 -0.18396424 0.24564171 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 599-88-2 68933 170466624 A A Sulfaperin O=S(=O)(Nc1ncc(C)cn1)c2ccc(N)cc2 Tox21_113864 -NCGC00160515-02 196704190 tox21-ror-cho-viability-p1 set1 4 0.5308038637 5.9138759479 -0.9138759479 5 4.9549173134 0.4523316219 0.2232843468 -0.59703275 -1.14713146 0.8425671 0.01736599 -2.18492437 6.21822592 -4.51156329 -2.56913779 -3.7446906 7.69659104 5.42716314 6.34607546 0.71018849 1.52108163 8.66517721 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56180-94-0 444254 170464784 Z Acarbose OCC4=C[C@H](N[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]1C)O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]4O Tox21_111597_1 -NCGC00090704-03 196704193 tox21-ror-cho-viability-p1 set1 4 -2.45665966 0.16877992 -6.58253871 -0.89790341 -6.28289313 -2.19326405 0.75165791 -0.55388364 -1.18886577 -0.7612284 -0.48186451 -0.24995144 0.29459579 -3.57820192 0.73410001 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00166215-05 196704196 tox21-ror-cho-viability-p1 set1 4 -3.72193661 0.09125873 -0.53062696 -2.99982304 -2.56297477 -10.94856979 -5.04019413 -11.30833607 -6.30312971 -2.453681 -7.32550235 0.92557205 -4.97345268 -4.80377492 -3.44903344 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60-12-8 6054 170466787 F 2-Phenylethanol OCCc1ccccc1 Tox21_113544_1 -NCGC00167488-08 196704198 tox21-ror-cho-viability-p1 set1 -2.2 26.6032120037 -42.79925246 0.818831533 -41.980420927 2.5884283767 0.8903422044 0.0005091665 3.06856353 7.81230762 0.7186404 1.56411766 2.94239763 -7.01311078 2.63589838 -1.0290509 -1.59584787 3.35095547 0.29042668 -3.16171147 -2.03735228 -13.36070613 -33.99937705 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 475207-59-1 406563 170465175 A Sorafenib O=C(NC)c3cc(Oc2ccc(NC(=O)Nc1cc(c(Cl)cc1)C(F)(F)F)cc2)ccn3.O=S(=O)(O)c1ccc(C)cc1 Tox21_112489_1 -NCGC00015417-04 196704599 tox21-ror-cho-viability-p1 set1 4 18.8336317891 6.793957864 -4.293957864 2.5 3.0654483358 0.4159077226 0.2607936494 -3.90008561 -8.57829822 -0.16321312 -7.30340477 -2.73931619 -1.83246878 -4.56582419 -1.6499146 -5.49119703 -4.42900414 -3.40421136 -5.73325897 -3.32795972 -0.54137377 2.1446646 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 329-63-5 441411 170464974 Z A (R,S)-Epinephrine hydrochloride Cl.Oc1ccc(cc1O)[C@@H](O)CNC Tox21_113650 -NCGC00091501-06 196704600 tox21-ror-cho-viability-p1 set1 4 -0.19443924 0.84373829 0.91297697 2.70058143 -0.16337125 -1.43113266 -0.79361894 6.68481014 3.9679609 2.98627797 5.83547436 0.22803106 -0.81879846 1.29352982 -1.45490295 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 108-46-3 5054 170465462 Ac Resorcinol Oc1cccc(O)c1 Tox21_111140_1 -NCGC00247341-02 196704604 tox21-ror-cho-viability-p1 set1 4 -2.10961839 -2.06001644 -3.72667423 2.71912056 -0.57311966 0.72382079 -3.56080232 0.37920809 0.9780645 -5.54907559 -4.5014189 -3.2519973 -6.64919158 -5.46722226 2.08835217 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.938E-8 6.568E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.000041049999999 0.0000918 125-79-1 31331 144206412 A A Premethadone CN(C)C(C)CC(C#N)(c1ccccc1)c2ccccc2 Tox21_112859 -NCGC00018171-06 196704616 tox21-ror-cho-viability-p1 set1 4 1.03063605 1.53325179 10.25716266 1.83320575 1.07995817 0 -2.47383037 11.70077889 -1.53615064 0.94031465 14.71799926 10.9396503 10.24984433 0.51419504 11.02149922 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3485-62-9 19004 170464768 A Clidinium bromide [Br-].OC(c1ccccc1)(c2ccccc2)C(=O)OC4C[N+]3(C)CCC4CC3 Tox21_110535_1 -NCGC00160623-04 196704619 tox21-ror-cho-viability-p1 set1 4 -2.1791174 -3.0801752 -0.66787881 0.24753911 -1.88865072 0.02100244 -4.62485764 -0.25274333 0.64796021 0.25237497 -7.79556183 -2.14379597 -0.25188385 1.63914328 -0.00429038 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5466-77-3 21630 170464894 A Octinoxate COc1ccc(C=CC(=O)OCC(CC)CCCC)cc1 Tox21_111942_1 -NCGC00163735-04 196715109 tox21-ror-cho-viability-p1 set2 4 14.5106065892 -17.35576372 0.5 -16.85576372 0.4 0.5541966518 0.1324101333 0.05938881 0.59079042 2.00251421 0.93547729 -4.8399153 -0.74585707 0.64614415 -12.3798031 0.81488594 0.66753925 -5.83819154 -8.9058526 -9.36395218 -12.02508601 -10.19767246 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00254044-01 196714695 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -20.9102161119 0.5 -20.4102161119 3.6772481694 0.9223767992 0.000089978 -0.23892328 1.07806017 3.45300302 1.1237148 0.05732518 1.7249173 0.56591237 1.4705918 0.15103543 -1.2960497 0.61504101 0.03324312 -1.57120465 -1.93109458 -15.34184676 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 563-12-2 3286 144210495 A A Ethion S=P(SCSP(=S)(OCC)OCC)(OCC)OCC Tox21_300175 -NCGC00254639-01 196714710 tox21-ror-cho-viability-p1 set2 4 -0.88432446 -5.08604456 -0.6393337 -0.925695 -3.60209977 -0.41967153 -9.29276796 -4.35614309 -5.02016661 -3.19297482 -9.30674837 -2.49675785 -6.82747875 -6.33097805 -10.10436393 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 741-58-2 12932 144211050 A A Bensulide O=S(=O)(NCCSP(=S)(OC(C)C)OC(C)C)c1ccccc1 Tox21_300733 -NCGC00254863-01 196715107 tox21-ror-cho-viability-p1 set2 4 17.2289340586 -21.275965564 -1 -22.275965564 0.3 0.4967514157 0.181575145 -4.48303817 0.47465992 -0.9453962 -0.95459646 -3.31842475 -5.74554458 -9.00826668 -14.44965077 -3.63688387 -6.93242713 -11.12586581 -4.71530779 -5.00104564 -15.38631746 -19.39663797 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-21-8 7792 144211278 A A 3,7-Dimethyloctan-1-ol CC(C)CCCC(C)CCO Tox21_300961 -NCGC00253945-01 196715111 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -19.259811564 -2.379600824 -21.639412388 0.7999999999 0.5925542917 0.1029379822 -0.75333305 -0.59988471 -2.01253488 -3.14733691 -0.31633402 -1.03213155 -5.79748385 -0.38275093 -5.51975725 -10.77087667 -3.02912395 -2.25630932 -6.35595531 -7.95365819 -16.36617699 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 49562-28-9 3339 144210471 A A Fenofibrate O=C(c1ccc(Cl)cc1)c2ccc(OC(C)(C)C(=O)OC(C)C)cc2 Tox21_300151 -NCGC00254355-01 196715114 tox21-ror-cho-viability-p1 set2 4 4.850835712 7.2618093159 -2.2618093159 5 4.9549173134 0.3267065576 0.3426810673 0.65990746 0.14442227 -1.56865731 0.4129743 1.23949854 0.97326183 -7.5007909 -8.3424382 4.73648009 -11.46817443 -1.22322723 8.36512239 5.23614889 1.09019603 4.58607674 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 134-03-2 23667548 144210873 I Sodium L-ascorbate [Na+].OC=1C(=O)O[C@H]([C@@H](O)CO)C=1[O-] Tox21_300556 -NCGC00257555-01 196715536 tox21-ror-cho-viability-p1 set2 4 -2.42755934 0.16183283 -1.19580703 -7.07374193 0.76744972 -4.64875058 2.20976395 2.13057223 2.30638672 -4.65691385 -3.07462381 -7.21014756 -3.61765752 -2.67319269 -3.21478541 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004129 0.000092319999999 100-15-2 7483 144207199 A A N-Methyl-4-nitroaniline CNc1ccc(cc1)[N+]([O-])=O Tox21_200001 -NCGC00258534-01 196715937 tox21-ror-cho-viability-p1 set2 4 -0.17278308 -0.0250249 -1.8123149 -2.67737362 0.15690083 -0.19825715 -3.27519216 -0.51977912 -0.0501196 -2.01903916 -3.44899486 -0.46450706 1.46319612 -0.75737705 -0.81059242 1.21E-9 2.706E-9 6.051E-9 1.353E-8 3.0259999999E-8 6.765E-8 1.5129999999E-7 3.3829999999E-7 7.564E-7 0.000001691 0.000003782 0.000008457 0.00001891 0.00004228 0.00009455 91-58-7 7056 144208179 A Ac 2-Chloronaphthalene Clc1ccc2ccccc2c1 Tox21_200981 -NCGC00257821-01 196715958 tox21-ror-cho-viability-p1 set2 4 2.85960645 1.41375278 -0.27875033 0.16618851 0.79145756 -0.16212958 0.51952138 2.25367544 0.72201428 2.42705951 2.64208697 1.71588544 -0.21515156 5.12628501 3.76357716 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.000018359999999 0.000041049999999 0.000091779999999 100-75-4 7526 144207465 A F N-Nitrosopiperidine O=NN1CCCCC1 Tox21_200267 -NCGC00090776-02 196712639 tox21-ror-cho-viability-p1 set2 4 3.52093705 0.64437422 2.50345151 -1.21916086 1.61940915 1.39880363 0.48208523 2.28155541 1.9159186 -1.29994034 -0.86563738 1.10214834 1.04086721 4.50198612 0.037625 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00164164-02 196712231 tox21-ror-cho-viability-p1 set2 4 34.3762428541 7.078699608 0.921300392 8 4.5044702849 0.534155672 0.1510842227 -0.61346488 -0.34157499 5.31495039 4.39299824 -0.5887731 0.63007589 -1.74057601 -0.04268022 -1.06250694 2.04801154 1.9587303 -2.14891634 1.5795196 5.65005318 8.2054819 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00357098-01 196712234 tox21-ror-cho-viability-p1 set2 4 0.7695882154 -16.3632740479 -0.5 -16.8632740479 4.9549173134 0.6421979887 0.0686561038 0.70032294 -0.29497584 0.52613059 -0.81182767 -0.20591974 -2.50549032 0 0 -8.04540741 -26.11207271 -15.23284812 0 -13.09996617 -18.53055793 -26.96939504 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 150-19-6 9007 251919658 A 3-Methoxyphenol Oc1cccc(OC)c1 Tox21_303820 -NCGC00258678-01 196730462 tox21-ror-cho-viability-p1 set3 -2.2 60.7577547203 -60.7181618656 -0.880511674 -61.5986735396 2.8472712143 0.9434651687 0.0000164176 -7.21425747 -6.65479753 0.59987428 0.32276566 1.01913239 -0.41378048 0.62391345 0.16849847 -0.55065961 0.85367658 1.38187921 0.35511491 -7.95874176 -14.06167081 -47.42323753 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.56E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003667 0.0000082 0.00001834 0.000041 0.00009168 70-25-7 9562060 144208324 F N-Methyl-N'-nitro-N-nitrosoguanidine N=C(N[N+](=O)[O-])N(C)N=O Tox21_201126 -NCGC00258774-01 196730055 tox21-ror-cho-viability-p1 set3 -1.2 7.4305599289 -48.6982323385 14.3238980455 -34.374334293 0.5 0.8379364963 0.0031908921 7.17041021 17.34206703 24.24954064 12.6629345 14.38779648 4.48053026 1.91875256 0.51889005 0.75209457 0.80536903 0.23913711 -2.02826641 -21.58980113 -24.57644633 -23.02839049 1.146E-9 2.562E-9 5.73E-9 1.281E-8 2.865E-8 6.406E-8 1.4319999999E-7 3.203E-7 7.1619999999E-7 0.000001602 0.0000035809999999 0.0000080079999999 0.00001791 0.000040039999999 0.000089529999999 918-00-3 13514 144208420 F 1,1,1-Trichloropropanone ClC(Cl)(Cl)C(C)=O Tox21_201222 -NCGC00258139-01 196730056 tox21-ror-cho-viability-p1 set3 4 -2.59311395 1.90043393 -1.91270136 3.03645492 3.46098095 2.37530239 5.4984682 3.13571715 4.2440842 1.01869541 0.44091411 1.27651636 2.17128459 3.29707463 0.96674722 1.1919999999E-9 2.6649999999E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004163 0.000093099999999 108203-70-9 11832800 144207783 A A 1-Butyl-2,3-dimethylimidazolium iodide [I-].CCCCn1cc[n+](C)c1C Tox21_200585 -NCGC00258778-01 196730458 tox21-ror-cho-viability-p1 set3 -1.2 5.5579136818 -68.7632246456 2.923079068 -65.8401455776 0.7999999999 0.9877081784 2.8E-9 0.24295488 5.31608088 4.33667688 2.04609856 1.21399472 -0.16839565 1.13824598 -0.79212981 -13.67007347 -14.6548233 -22.58111718 -33.86888136 -49.00920536 -55.14122089 -56.22233776 1.09E-9 2.438E-9 5.452E-9 1.2189999999E-8 2.7259999999E-8 6.095E-8 1.363E-7 3.048E-7 6.815E-7 0.000001524 0.0000034069999999 0.0000076189999999 0.00001704 0.0000381 0.00008518 55981-09-4 41684 144208424 C D Nitazoxanide O=C(Nc1ncc(s1)[N+]([O-])=O)c2ccccc2OC(C)=O Tox21_201226 -NCGC00255302-01 196728882 tox21-ror-cho-viability-p1 set3 4 -1.90229185 6.90237961 6.36359567 22.20218753 14.85017603 8.30213327 -4.93605693 0.2370837 4.12366693 2.67503883 6.93474771 3.04718577 0.45997926 -0.07178816 0.81158082 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 143-16-8 8920 144212444 A Fc Dihexylamine CCCCCCNCCCCCC Tox21_302127 -NCGC00090885-03 196728461 tox21-ror-cho-viability-p1 set3 4 -0.03184635 -4.51067834 1.97449158 4.75697059 -1.79447309 -3.4233674 -11.18581036 9.28258627 -5.92824803 -1.00155701 -8.48888084 5.40619403 7.9309221 -2.4915687 5.74263977 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00255654-01 196728468 tox21-ror-cho-viability-p1 set3 4 2.70234727 11.22889082 4.62457541 -4.93121969 -1.02745396 7.68483091 -1.47529529 -2.91084327 10.05217372 -0.44092384 2.11533389 5.38307428 -3.64328085 4.26436601 6.30563535 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67-73-2 6215 144212681 A A Fluocinolone acetonide OCC(=O)[C@]45OC(C)(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3C[C@H](F)C1=CC(=O)C=C[C@@]12C Tox21_302364 -NCGC00255806-01 196728868 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -12.2203088039 -0.5 -12.7203088039 1.21 0.4898677909 0.1900386862 0.31894111 -3.56940013 2.31956467 -0.90075194 -1.87081854 1.16215708 1.90371621 -1.18359183 2.27288805 -2.66944143 -1.57620328 -5.62261883 0.82492191 -4.27284478 -8.93359067 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77501-90-7 53672 144211571 A A Fluoroglycofen-ethyl Clc2cc(ccc2Oc1cc(C(=O)OCC(=O)OCC)c(cc1)[N+]([O-])=O)C(F)(F)F Tox21_301254 -NCGC00259935-01 196709514 tox21-ror-cho-viability-p1 set2 4 2.31180088 1.33802908 2.24967554 3.49090998 3.67165801 -1.08154907 2.47354444 1.72388435 0.12221854 -0.58160547 2.30420454 2.31312047 2.18269584 -0.0869007 0.2650968 1.194E-9 2.6689999999E-9 5.968E-9 1.335E-8 2.9839999999E-8 6.6729999999E-8 1.4919999999E-7 3.3359999999E-7 7.4599999999E-7 0.000001668 0.00000373 0.0000083409999999 0.00001865 0.0000417 0.000093249999999 106-24-1 637566 144209584 A A Geraniol C\C(C)=C\CCC(\C)=C\CO Tox21_202386 -NCGC00259812-01 196708687 tox21-ror-cho-viability-p1 set2 -2.2 54.6489338392 -54.1050862226 1.994729163 -52.1103570596 3.5117481694 0.9864492766 4.9E-9 5.32484321 0.03273181 -0.47097307 1.53808017 2.51737595 3.06345837 1.68307974 2.05534936 0.96922323 2.27652042 3.64981349 0.37843888 0.89503291 -12.29018269 -44.78057353 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004133 0.000092409999999 136-77-6 3610 144209461 A A 4-Hexylresorcinol Oc1cc(O)ccc1CCCCCC Tox21_202263 -NCGC00259146-01 196708704 tox21-ror-cho-viability-p1 set2 -2.1 24.2375538006 -91.669201297 -1.541676685 -93.210877982 1.692447691 0.9951437617 0 -2.8367005 -0.58881831 -1.3640761 -4.20467327 -2.64809276 -0.21895532 -2.16945699 -1.54513003 -1.14900605 0.05881998 -6.3922019 -12.25647621 -40.69548838 -63.93319888 -85.35794687 1.1759999999E-9 2.63E-9 5.8799999999E-9 1.315E-8 2.94E-8 6.574E-8 1.4699999999E-7 3.2869999999E-7 7.35E-7 0.0000016439999999 0.0000036749999999 0.000008218 0.000018379999999 0.00004109 0.00009188 989-38-8 235227 144208795 A A Rhodamine 6G Cl.O=C(OCC)c4ccccc4C=1c3cc(C)c(cc3OC2=C\C(=N\CC)C(C)=CC=12)NCC Tox21_201597 -NCGC00259776-01 196709111 tox21-ror-cho-viability-p1 set2 4 2.26598112 -2.16253717 -1.24441587 -0.14975425 -0.98084067 1.04087861 0.55080579 -0.85710284 0.37444164 0.36222879 0.1086444 4.50533371 2.1237739 4.07413038 3.96887881 1.189E-9 2.6589999999E-9 5.945E-9 1.3289999999E-8 2.9719999999E-8 6.646E-8 1.486E-7 3.323E-7 7.4309999999E-7 0.000001662 0.0000037149999999 0.0000083079999999 0.000018579999999 0.00004154 0.000092879999999 116-06-3 2086 144209425 A A Aldicarb CC(C)(\C=N\OC(=O)NC)SC Tox21_202227 -NCGC00259690-01 196708730 tox21-ror-cho-viability-p1 set2 4 -0.75488606 -0.24262404 1.85546612 -0.54534687 -1.12544746 2.90190178 -1.30757351 0.29153612 1.03635442 3.65081849 -1.82134808 -1.05125558 0 -3.02134002 -1.82775324 1.193E-9 2.667E-9 5.964E-9 1.333E-8 2.982E-8 6.6669999999E-8 1.491E-7 3.3339999999E-7 7.4539999999E-7 0.0000016669999999 0.0000037269999999 0.0000083339999999 0.00001864 0.00004167 0.00009318 1675-54-3 2286 144209339 A B Bisphenol A diglycidyl ether CC(C)(c2ccc(OCC1CO1)cc2)c4ccc(OCC3CO3)cc4 Tox21_202141 -NCGC00256749-01 196708299 tox21-ror-cho-viability-p1 set1 4 -9.55812958 -8.25449756 -9.31782282 -13.90982653 -16.25967979 -19.50405377 -1.71023342 -1.5015056 -7.01923 -13.65892065 -6.86721138 -2.48551415 -2.60167014 -7.5775607 -1.5481419 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 0.000091709999999 112226-61-6 114994 144212972 A A Halofenozide O=C(NN(C(=O)c1ccccc1)C(C)(C)C)c2ccc(Cl)cc2 Tox21_302655 -NCGC00091586-02 196708715 tox21-ror-cho-viability-p1 set2 4 -7.78459596 -4.54453743 -8.10270524 -5.98529608 -1.27271143 -2.92642789 -0.35885881 -2.07499712 -3.50808745 0.25567964 -2.27204945 -3.17303963 1.45388175 0.40003206 -1.83022108 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00259248-01 196708719 tox21-ror-cho-viability-p1 set2 -1.1 21.8665228752 -87.2685383199 1.1767287189 -86.091809601 4.5044702849 0.9955559937 0 2.75411064 3.31702696 4.322567 2.30695199 -1.18448369 1.07727121 0.87698599 3.26759094 -0.53720497 -1.78245644 0.8557236 -1.97592282 -27.95155418 -83.91014581 -83.65543946 1.188E-9 2.657E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.641E-8 1.4849999999E-7 3.321E-7 7.425E-7 0.0000016599999999 0.000003713 0.000008302 0.00001856 0.000041509999999 0.00009282 629-76-5 12397 144208897 A Ac 1-Pentadecanol CCCCCCCCCCCCCCCO Tox21_201699 -NCGC00258808-01 196709128 tox21-ror-cho-viability-p1 set2 4 0.47780416 0.82836418 4.76535647 -0.61332757 0.85523713 6.54415767 0.0665466 4.08050567 3.67867842 2.90062786 5.9655149 6.0954705 5.851219 3.41703909 0.21484624 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003668 0.000008201 0.00001834 0.000041009999999 0.00009169 95-53-4 7242 144208454 A Fc 2-Methylaniline Cc1ccccc1N Tox21_201256 -NCGC00259995-01 196709129 tox21-ror-cho-viability-p1 set2 -1.2 24.6338054114 -42.773828524 -0.844399192 -43.618227716 4.5044702849 0.9931689653 1E-10 -2.82146963 -2.32968508 -0.32286231 -0.0050306 0.74192922 0.12885286 -2.79146312 -2.46263792 -0.54103835 -0.98031146 -0.30554179 -0.21793871 -10.764162 -40.62547332 -42.7020627 1.1919999999E-9 2.6649999999E-9 5.96E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.332E-7 7.45E-7 0.0000016659999999 0.000003725 0.000008329 0.00001862 0.000041649999999 0.00009312 145-73-3 3225 144209644 A A Endothal OC(=O)C2C(C1CCC2O1)C(=O)O Tox21_202446 -NCGC00164164-02 196709540 tox21-ror-cho-viability-p1 set2 4 -0.75594512 -0.43598856 1.21307273 3.03617455 1.05290642 2.1579352 4.10166666 1.81672982 3.11621268 3.02896609 1.24885531 1.87695883 5.5774626 2.97005235 -0.64979219 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00259568-01 196709559 tox21-ror-cho-viability-p1 set2 4 0.0015261658 15.693333824 -15.193333824 0.5 4.9549173134 0.8803143367 0.0007974533 -12.66111152 0.61005683 2.01356651 2.35463278 0.5525668 -0.71947638 2.48145472 -1.83122773 0.52942805 -1.23000163 0.43658336 0.87267657 0.57250121 0.54664607 1.16974062 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 0.000091709999999 87-25-2 6877 144209217 A A Ethyl anthranilate Nc1ccccc1C(=O)OCC Tox21_202019 -NCGC00256166-01 196709957 tox21-ror-cho-viability-p1 set2 4 3.95453142 2.61364479 2.57079492 0.17239209 -0.87607032 3.15485857 2.56287949 3.11174344 1.57859379 0.67901212 0.68742475 0.24996471 1.14964875 0.01046461 1.6690345 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16066-35-6 6640 144212079 A Bc 4-(Propan-2-yl)benzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(C)C Tox21_301762 -NCGC00255221-01 196700107 tox21-ror-cho-viability-p1 set1 4 0.78562747 0.35647563 -2.59582763 0.83671448 0.10901422 -1.251791 2.26512025 2.74256031 -0.94679691 3.32240207 -0.7091246 -0.35408457 1.12063663 -0.18879368 5.06760024 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97240-79-4 5284627 144212718 A A Topiramate NS(=O)(=O)OC[C@]23OC[C@H]1OC(C)(C)O[C@H]1[C@@H]3OC(C)(C)O2 Tox21_302401 -NCGC00256123-01 196729110 tox21-ror-cho-viability-p1 set3 4 0.92373997 2.32412812 -3.72154626 -3.74280922 -0.00488391 -2.15066956 -2.47024096 -0.92444771 -5.22561167 -3.19962532 2.81879726 -4.89100518 -4.52047336 0.15288237 0.23136966 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-44-2 60988 144212277 A A 2-Aminobenzene-1,4-disulfonic acid Nc1cc(ccc1S(O)(=O)=O)S(=O)(=O)O Tox21_301960 -NCGC00091830-04 196729119 tox21-ror-cho-viability-p1 set3 4 3.8570778872 9.0864481719 -4.0864481719 5 4.9549173134 0.3861420453 0.3018050798 -1.59141934 1.41584993 3.56885346 -6.17835969 -4.10255129 -5.53093987 -12.98870681 0.62334215 -3.79087062 -10.65604392 0.75204242 9.15401453 5.27956406 0.25894535 -6.92752888 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00258643-01 196729517 tox21-ror-cho-viability-p1 set3 4 -1.54611555 1.90248037 -0.46032104 3.55229553 1.55646752 1.61458578 0.8742492 -0.28774558 3.44108804 -0.86743346 2.36867662 4.00972671 -3.13827311 -0.64239891 -3.46451126 1.2009999999E-9 2.687E-9 6.007E-9 1.3429999999E-8 3.0039999999E-8 6.7169999999E-8 1.5019999999E-7 3.358E-7 7.509E-7 0.000001679 0.0000037549999999 0.000008396 0.000018769999999 0.000041979999999 0.00009387 99-94-5 7470 144208289 A A 4-Methylbenzoic acid Cc1ccc(cc1)C(O)=O Tox21_201091 -NCGC00254654-01 196699696 tox21-ror-cho-viability-p1 set1 -1.1 1.5355303643 -76.7511929954 1.4264001499 -75.3247928455 1.8616924601 0.9911003723 4E-10 0.78562719 -0.13841935 1.04540561 -1.11960648 1.20874452 0.1364568 1.73156068 0.4471636 -11.17547503 -46.08941896 -56.37052772 -71.98384327 -79.00443782 -76.33992193 -71.80070426 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-65-7 4477 144211066 A Ac Niclosamide Clc2cc(ccc2NC(=O)c1cc(Cl)ccc1O)[N+]([O-])=O Tox21_300749 -NCGC00254468-01 196699700 tox21-ror-cho-viability-p1 set1 4 -1.38996388 1.52672845 2.5229939 2.78026378 -0.71592141 0.10015157 -1.47103593 -2.39101455 0 -0.89088575 0.17450567 0.19464263 -1.97706504 -1.25484034 1.68035519 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-33-5 1183 144210670 A A 4-Hydroxy-3-methoxybenzaldehyde Oc1ccc(cc1OC)C=O Tox21_300352 -NCGC00254956-01 196699709 tox21-ror-cho-viability-p1 set1 4 1.16697844 0.46938011 0.30444638 2.39079903 1.43399039 -1.33987482 0.12367927 0.91009909 0.50624862 3.92615892 2.65232746 -0.42316296 3.11466312 -0.6123999 2.91164294 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-09-5 6915 144211371 A A 2-Ethylbutyric acid CCC(CC)C(=O)O Tox21_301054 -NCGC00255585-01 196700125 tox21-ror-cho-viability-p1 set1 4 -1.71613335 2.8108675 3.69392931 -0.93929239 2.07698665 -0.25247055 1.14779216 2.50626698 1.21276614 0.56870382 2.88311839 1.06119165 2.33113971 3.23252421 0.80553158 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1193-18-6 14511 144212353 A F 3-Methyl-2-cyclohexen-1-one CC=1CCCC(=O)C=1 Tox21_302036 -NCGC00256029-01 196700516 tox21-ror-cho-viability-p1 set1 4 6.1130564862 7.287484272 -6.787484272 0.5 4.9549173134 0.6171500609 0.0994256855 -7.51279672 -5.83128113 -6.73284322 -6.57429125 -5.7436638 -6.92546783 -6.59781836 -7.75357173 -9.82290356 -0.05670911 -8.64924234 0.63783499 -0.42933046 0.75492995 -7.13095602 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 64063-37-2 116529 144212572 A A 2,6-Dichloro-3-methylaniline Clc1c(C)ccc(Cl)c1N Tox21_302255 -NCGC00256205-01 196700951 tox21-ror-cho-viability-p1 set1 4 -0.19786642 1.31981802 2.13643012 -0.32947125 3.54344658 4.49422243 -0.76477634 -0.38487046 0.64557752 4.85811589 0.24585828 1.28693546 0.02864469 2.58027952 2.10303822 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77771-02-9 173604 144211950 A A 3-Bromo-4-fluorobenzaldehyde Fc1ccc(C=O)cc1Br Tox21_301633 -NCGC00255689-01 196701349 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -87.3421620645 -0.8629186449 -88.2050807094 4.9549173134 0.9822494923 2.38E-8 -4.6788325 -0.16504516 -3.47413691 -0.19507626 -2.13117912 1.24420176 -1.18598953 -0.86395836 -0.34738497 -0.94810228 -0.88685783 -1.50361168 0.22727496 -0.0100711 -72.38498469 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3236-71-3 76716 144211901 A A 4,4'-(9H-Fluorene-9,9-diyl)diphenol Oc1ccc(cc1)C4(c2ccccc2c3ccccc34)c5ccc(O)cc5 Tox21_301584 -NCGC00255853-01 196701363 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -13.7997524399 1 -12.7997524399 4.9549173134 0.8172548348 0.005604358 2.87914537 2.09622825 2.51070752 0.65771033 -1.34511237 -1.17056893 1.04855386 0.88501449 1.96875636 0.25636691 1.79307685 0.58581164 2.29583231 0.41724825 -8.9997937 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 143-15-7 8919 144212363 F Ac 1-Bromododecane BrCCCCCCCCCCCC Tox21_302046 -NCGC00255605-01 196701369 tox21-ror-cho-viability-p1 set1 4 0.0036837087 -51.88167262 -30.73675963 -9.85000575 0.52994586 -3.34194368 2.26160061 -10.28487541 0.56215734 1.80077114 2.90903045 5.08699286 1.77313527 0.3416523 5.79191525 7.51278928 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5444-75-7 94310 144211793 A Ac 2-Ethylhexyl benzoate CCC(COC(=O)c1ccccc1)CCCC Tox21_301476 -NCGC00256517-01 196719162 tox21-ror-cho-viability-p1 set2 4 -1.32505207 -0.31424451 -0.91151765 0.11704615 -0.51568531 1.0216982 2.41786292 5.57593205 6.38961103 3.14880296 6.20667802 3.29730197 2.45180348 5.55148363 1.931022 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 562-10-7 11224 144213178 A A Doxylamine succinate O=C(O)CCC(=O)O.CN(C)CCOC(C)(c1ccccn1)c2ccccc2 Tox21_302861 -NCGC00256825-01 196719164 tox21-ror-cho-viability-p1 set2 4 0.54656678 2.27308482 1.66090867 -0.89877211 0.30324805 3.95728018 -1.12680586 5.04598758 2.55886108 6.43624919 3.469366 3.18800165 2.5756998 3.01199134 6.58165622 7.2519999999E-10 1.622E-9 3.6259999999E-9 8.108E-9 1.813E-8 4.054E-8 9.065E-8 2.0269999999E-7 4.5319999999E-7 0.0000010129999999 0.000002266 0.000005067 0.00001133 0.000025339999999 0.000056649999999 12108-13-3 60196372 144212976 Fns (Methylcyclopentadienyl)tricarbonylmanganese [Mn+].[C-]#[O+].[O+]#[C-].CC1C=[C-]C=C1.[O+]#[C-] Tox21_302659 -NCGC00256346-01 196719177 tox21-ror-cho-viability-p1 set2 4 -1.40209795 -0.55602078 -5.33919489 1.14653638 -4.51034978 -5.84036505 0.86646085 -2.51033802 -2.78580863 0.74201059 -1.81891925 -1.69571838 -2.11882594 -1.43417849 -2.04485147 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-40-1 7807 144213227 A A 4-Bromoaniline Nc1ccc(Br)cc1 Tox21_302910 -NCGC00173359-04 196717940 tox21-ror-cho-viability-p1 set2 1.4 0.0026603212 19.38218484 -18.38218484 1 0.5999999999 0.7077907748 0.0348823581 -13.6518207 -9.59464389 -6.58087667 -8.66617213 -3.29603862 1.70364624 -4.27933655 -6.8935506 2.09257364 2.8412779 1.5508188 1.56868677 1.04695054 -3.57346045 2.92809313 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 522-97-4 34458 170466799 A Canadine COc1c(OC)ccc2CC3N(Cc12)CCc4cc5OCOc5cc34 Tox21_110451_1 -NCGC00015469-09 196717124 tox21-ror-cho-viability-p1 set2 4 2.6603212004 12.994369088 -3.494369088 9.5 0.6999999999 0.8623194947 0.0015366256 -3.66564049 -1.88118067 -0.24007392 -5.41197424 -4.53952532 -3.69786357 -3.29621386 -4.45951661 1.85103806 0.70647993 2.84364291 3.62618321 3.95983266 6.93747716 8.82202398 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 29520-14-7 71401 170465381 A Guanfacine hydrochloride Cl.Clc1cccc(Cl)c1CC(=O)NC(=N)N Tox21_110159_1 -NCGC00091195-08 196717523 tox21-ror-cho-viability-p1 set2 -1.2 2.9849294812 -46.4520817912 3.475412767 -42.9766690242 1.5385888099 0.9807393941 3.82E-8 0.1042352 -0.86641456 2.29365642 3.33844502 5.41657895 3.91536148 4.72600764 5.33130321 1.79731814 1.6217166 -14.24587667 -27.27296113 -32.98989692 -39.11912733 -45.07516571 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 70-30-4 3598 170464690 A Hexachlorophene Clc2c(Cc1c(O)c(Cl)cc(Cl)c1Cl)c(O)c(Cl)cc2Cl Tox21_111099_1 -NCGC00178286-05 196717546 tox21-ror-cho-viability-p1 set2 4 0.72121694 0.65366735 3.85942391 2.90662925 6.28560418 7.41758615 4.78703908 6.78704666 -0.61923178 1.48738631 4.42562692 3.02131462 -0.3964755 1.18327609 1.60565517 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-15-0 5359226 170465059 Z Pralidoxime chloride [Cl-].O\N=C\c1cccc[n+]1C Tox21_110316_1 -NCGC00179250-03 196717944 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -14.0097857599 -2.079895784 -16.0896815439 4.9549173134 0.60711019 0.0927883982 -0.06657982 -8.00018797 -6.49548278 -1.14041304 -1.16183097 -4.92896576 -0.3208597 -0.69327651 -0.97152286 -0.3534025 -0.4492139 -0.46988991 -1.66796153 -2.53950814 -13.82473462 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 36167-63-2 37392 170465140 A Halofantrine Cl.CCCCN(CCCC)CCC(O)c2cc1c(Cl)cc(Cl)cc1c3cc(ccc23)C(F)(F)F Tox21_110637_1 -NCGC00183362-02 196717945 tox21-ror-cho-viability-p1 set2 4 1.45166554 1.92392386 2.50729958 3.66988239 5.94764264 6.05616434 5.81384528 3.92913914 2.31125209 1.85478 1.04469189 -0.68538718 -0.38066456 1.27252397 0.48791804 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5534-95-2 9853654 170465396 A Pentagastrin NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)CCNC(=O)OC(C)(C)C)Cc3cnc2ccccc23 Tox21_113479_1 -NCGC00016353-08 196717961 tox21-ror-cho-viability-p1 set2 4 1.81827151 -0.67454357 2.86507112 1.3038317 0.31514095 3.21424744 -2.45799323 -2.27382927 -1.5781332 0.50970862 -0.26581472 -0.11140995 1.57924995 2.58979978 -0.16628195 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-25-7 2482 170465735 A Butyl 4-aminobenzoate Nc1ccc(cc1)C(=O)OCCCC Tox21_110392_1 -NCGC00016059-13 196717962 tox21-ror-cho-viability-p1 set2 -3 33.4914596268 -80.2343318857 -3.1723977089 -83.4067295946 4.9549173134 0.9650572595 0.0000011493 -6.71334182 -5.5836167 -8.7554707 -6.3227331 -0.99884589 -6.07807832 -3.81503832 -4.30608151 -0.27604408 -0.40582107 3.5601792 -1.49702548 0.42246889 -9.3723211 -73.16379789 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-52-2 5452 170465080 C Thioridazine CN4CCCCC4CCN1c3ccccc3Sc2ccc(SC)cc12 Tox21_110294_1 -NCGC00257368-01 196718358 tox21-ror-cho-viability-p1 set2 4 -1.73080967 -0.28028904 -1.67526747 1.47931713 4.58877513 1.54855954 1.74528922 0.0686427 0.62870251 0.00636591 1.56360942 6.85458109 2.9070469 1.03773653 -4.25400788 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 41317-15-1 162461 144213810 A A 4-Methoxy-2-methyl-N-phenylaniline COc2cc(C)c(Nc1ccccc1)cc2 Tox21_303502 -NCGC00257176-01 196718364 tox21-ror-cho-viability-p1 set2 4 3.21108241 -0.55985655 3.1785047 -1.40357152 0.63315168 3.9472156 4.25399636 4.48581802 2.34122538 2.18052517 3.4025531 -2.59320772 -0.09343188 2.81248606 6.12055028 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 384-22-5 9795 144213374 A A 1-Nitro-2-(trifluoromethyl)benzene O=[N+]([O-])c1ccccc1C(F)(F)F Tox21_303057 -NCGC00260501-01 196712384 tox21-ror-cho-viability-p1 set2 2.4 68.1016469048 21.161535368 0.338464632 21.5 4.9549173134 0.9435320946 0.0000165764 -0.28212486 1.52829057 0.00696632 -0.95445121 -0.96794614 0.67511464 1.59004793 1.02803273 1.29107994 1.658455 2.29348363 -0.58916677 -0.94662815 1.90945638 17.71888862 1.173E-9 2.624E-9 5.867E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.28E-7 7.3329999999E-7 0.0000016399999999 0.000003667 0.0000081989999999 0.00001833 0.000041 0.00009167 99-61-6 7449 144210153 A A 3-Nitrobenzaldehyde O=[N+]([O-])c1cc(C=O)ccc1 Tox21_202955 -NCGC00257892-01 196715691 tox21-ror-cho-viability-p1 set2 4 -3.85175142 -1.01740559 -0.64002586 -2.26247826 -4.09351538 0.64084396 0.99190003 -1.09432461 -3.48858549 0.09103797 -1.20866542 -0.58855251 1.03038078 -0.0512765 -1.32998646 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 0.000091709999999 603-50-9 2391 144207536 A A Bisacodyl CC(=O)Oc1ccc(cc1)C(c2ccc(OC(C)=O)cc2)c3ccccn3 Tox21_200338 -NCGC00258705-01 196712396 tox21-ror-cho-viability-p1 set2 4 -7.54342134 -10.49762595 -27.7547931 -12.32171697 -29.47816158 -11.77604879 -33.90636019 0 -4.506315 0 -33.64051174 -15.05717698 -71.81414867 -15.7474508 -10.8981524 1.039E-9 2.324E-9 5.197E-9 1.1619999999E-8 2.598E-8 5.81E-8 1.299E-7 2.9049999999E-7 6.4959999999E-7 0.000001453 0.000003248 0.000007263 0.000016239999999 0.00003631 0.0000812 17924-92-4 5281576 144208351 A A Zearalenone Oc1cc(O)cc2C=CCCCC(=O)CCC[C@H](C)OC(=O)c12 Tox21_201153 -NCGC00260177-01 196712375 tox21-ror-cho-viability-p1 set2 -2.3 68.5198756601 -92.0282326596 -7.912150218 -99.9403828776 3.9899729863 0.8239301894 0.3070837309 -1.50974276 -2.72598517 -2.85530659 -17.91075673 -4.93359949 0 0 0 -24.3667846 -79.04935618 -18.20108195 -21.48178827 -10.3665747 -14.27599287 -79.12150218 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.947E-8 6.591E-8 1.474E-7 3.295E-7 7.368E-7 0.000001648 0.000003684 0.000008238 0.00001842 0.00004119 0.00009211 244193-59-7 46226173 144209827 A A 1-Dodecyl-3-methylimidazolium tetrafluoroborate F[B-](F)(F)F.C[n+]1ccn(CCCCCCCCCCCC)c1 Tox21_202629 -NCGC00260154-01 196712385 tox21-ror-cho-viability-p1 set2 4 -3.14886029 -7.20280495 -10.66708026 -2.40850207 -5.17559931 -4.24916226 -2.85421242 -6.6482741 -6.85495312 -4.59457642 0 -1.78517629 -18.42972662 -1.1244162 -5.16115964 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.365E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.00004117 0.00009206 24140-30-5 5702746 144209804 F C (+)-2-Methylbutyl-4-methoxybenzyladine-4'-aminocyannate COc2ccc(/C=N/c1ccc(/C=C/C(=O)OC[C@@H](C)CC)cc1)cc2 Tox21_202606 -NCGC00260053-01 196712397 tox21-ror-cho-viability-p1 set2 -2.4 24.0965165353 -44.3680533878 -4.333446999 -48.7015003868 3.0654483358 0.563993795 0.1238214631 -2.76193384 -4.13396834 -9.92058035 -11.0238623 -9.19473843 0 -2.13354944 -32.47809263 -10.55247115 0 -0.42089965 -2.01665985 0 -22.95946764 -43.33446999 5.979E-10 1.337E-9 2.989E-9 6.685E-9 1.4949999999E-8 3.342E-8 7.4739999999E-8 1.6709999999E-7 3.7369999999E-7 8.356E-7 0.000001868 0.000004178 0.000009342 0.000020889999999 0.00004671 8003-22-3 6731 144209702 A A D & C Yellow 11 O=C4c1ccccc1C(=O)C4c2ccc3ccccc3n2 Tox21_202504 -NCGC00160452-02 196712804 tox21-ror-cho-viability-p1 set2 4 23.7101376556 9.1274011239 -2.1274011239 7 0.8999999999 0.6533110615 0.0644379222 -1.73850259 -1.62571243 -5.52283427 -3.08940862 -0.00383994 -2.85058381 -1.50535576 -1.84820174 -3.30045797 0.21369184 -1.94206342 0.5359912 0.42752711 0.91809851 4.74772964 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 42779-82-8 39299 170466360 B Clopirac O=C(O)Cc2cc(C)n(c1ccc(Cl)cc1)c2C Tox21_111822_1 -NCGC00095158-04 196712805 tox21-ror-cho-viability-p1 set2 4 -4.39472002 -1.2900034 -3.59382028 -3.94601022 -0.11981373 -3.38944425 -3.16054118 -4.37222517 -6.11288427 -2.47012025 0.97629561 -5.19344997 -5.48400318 -4.79972797 -3.5537037 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3366-95-8 71815 170466630 A Secnidazole Cc1ncc([N+]([O-])=O)n1CC(O)C Tox21_111457_1 -NCGC00274278-01 196712809 tox21-ror-cho-viability-p1 set2 4 6.6824247267 -12.99163918 3.5 -9.49163918 0.5 0.7751665337 0.0130937859 4.81963781 0.41371096 4.60274448 5.77707742 -0.03105485 3.61669261 0.74461038 0.54094358 -0.15577298 0.35606338 -0.21553018 -0.23343498 -4.28812009 -5.29220354 -6.24303265 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13445-60-8 26762 170466352 A B Furfenorex CN(Cc1ccco1)C(C)Cc2ccccc2 Tox21_113981 -NCGC00159446-03 196712814 tox21-ror-cho-viability-p1 set2 4 0.0007497804 13.379356556 -13.879356556 -0.5 0.3 0.4491349338 0.2279661521 -10.73279713 -3.69513654 -6.34998471 -2.49013086 -0.78818115 -6.11664702 -6.40108623 -3.82952969 -4.30539509 -2.03960977 -0.33775886 1.3590005 -0.38930117 -0.16254935 -3.51259648 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 339-43-5 9564 170466249 A Carbutamide Nc1ccc(cc1)S(=O)(=O)NC(=O)NCCCC Tox21_111673_1 -NCGC00164789-04 196713225 tox21-ror-cho-viability-p1 set2 4 0.7497803863 -9.19528412 -0.5 -9.69528412 3.9294729863 0.8359280234 0.0034157625 -0.06386582 -0.61218701 0.45112739 0.74909774 0.55604827 -0.63078311 -5.55378642 -0.961204 0.02961191 -6.74964092 -8.7686651 -10.95398737 -12.2460701 -6.69670091 -8.58463906 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 129453-61-8 104741 170464917 A Fulvestrant FC(F)(F)C(F)(F)CCCS(=O)CCCCCCCCC[C@@H]2Cc1cc(O)ccc1[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@H]23 Tox21_110939_1 -NCGC00263658-01 196713227 tox21-ror-cho-viability-p1 set2 4 -0.69481385 -1.95769584 0.24436067 -1.71303847 -3.0266523 -3.82234278 0.92970411 -3.61069271 -4.32622642 -2.28029765 -2.80525954 0.28409218 -1.50150396 -0.20729154 0.07434142 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 38821-53-3 38103 170465355 Z Cephradine CC=3CS[C@H]2N(C(=O)[C@H]2NC(=O)[C@H](N)C1=CCC=CC1)C=3C(=O)O Tox21_113488_1 -NCGC00258555-01 196729785 tox21-ror-cho-viability-p1 set3 4 0.06461096 1.96495011 -1.24761601 -0.00564758 0.10229019 3.4052818 3.47408749 4.29567596 0.49287251 5.41912054 5.51581743 4.05638398 5.04485051 0.80096184 -6.24226068 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.299E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.00001844 0.00004124 0.00009222 97-72-3 7346 144208200 A A Isobutyric anhydride CC(C)C(=O)OC(=O)C(C)C Tox21_201002 -NCGC00258604-01 196729792 tox21-ror-cho-viability-p1 set3 4 0.64762711 0.75163583 -1.68067272 -0.23597479 -2.84411002 0.44620929 -2.11124084 0.83316659 2.91646264 2.12386952 0.27685602 0.0775783 1.39340452 0.6727041 5.69093445 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.00001844 0.000041219999999 0.00009218 40876-98-0 23685849 144208249 D Sodium malate [Na+].O=C(OCC)C([O-])CC(=O)OCC Tox21_201051 -NCGC00257947-01 196730212 tox21-ror-cho-viability-p1 set3 4 48.607118608 12.346034664 0.653965336 13 0.9999999999 0.4838554478 0.1946784917 1.24649823 -2.78836222 0.71683396 0.41576985 1.26621964 -0.92414863 -1.16720373 1.35681104 9.41102415 -0.29407814 2.19396026 1.3075152 2.51273115 7.13337349 9.63748161 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004127 0.00009229 83055-99-6 54960 144207591 A A Bensulfuron-methyl O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Cc2ccccc2C(=O)OC Tox21_200393 -NCGC00258193-01 196729852 tox21-ror-cho-viability-p1 set3 4 -3.06675213 -3.22950513 -4.96323272 1.50560537 0.37921982 -3.13482608 2.47883338 -4.01704453 -8.33263386 -0.22235353 -7.90288951 -0.01922037 -10.59895668 2.68748038 5.88501532 1.194E-9 2.671E-9 5.972E-9 1.335E-8 2.986E-8 6.677E-8 1.493E-7 3.338E-7 7.465E-7 0.000001669 0.000003733 0.000008346 0.00001866 0.000041729999999 0.00009331 627-63-4 5325504 144207837 F Fumaryl chloride ClC(=O)/C=C/C(Cl)=O Tox21_200639 -NCGC00258066-01 196729438 tox21-ror-cho-viability-p1 set3 4 0.30282998 0.12269637 0.83105727 0.5188334 0.55986869 2.24430632 0.16509331 1.34719466 -1.99706328 -0.04792604 0.99463979 1.49744588 -1.48632239 -0.18397366 2.88649308 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004136 0.00009247 88-96-0 6956 144207710 A A Phthalamide O=C(N)c1ccccc1C(N)=O Tox21_200512 -NCGC00257992-01 196729443 tox21-ror-cho-viability-p1 set3 -3 68.7989315376 -74.2175886665 0.8144742379 -73.4031144286 4.9549173134 0.994219153 0 0.22295185 2.01151601 1.64521313 -0.45536451 -0.75489501 0.31529707 -0.70416129 1.8226815 -0.57563432 1.66160447 1.0443933 0.78563387 -0.30622414 -2.31600201 -59.84374161 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 112-03-8 8155 144207636 A A N,N,N-Trimethyloctadecan-1-aminium chloride [Cl-].C[N+](C)(C)CCCCCCCCCCCCCCCCCC Tox21_200438 -NCGC00258961-01 196721225 tox21-ror-cho-viability-p1 set3 4 34.271392867 9.0096566919 -5.5096566919 3.5 4.0949729863 0.3854850946 0.2871285759 -1.79742524 -6.83681114 -8.4368182 -1.9423973 -1.18113791 -0.1388809 -1.77864135 -10.42471391 -9.53952034 -5.88925609 -9.39178767 -7.02785922 -3.52888444 0.43138078 3.69753635 1.177E-9 2.631E-9 5.884E-9 1.316E-8 2.942E-8 6.579E-8 1.471E-7 3.289E-7 7.355E-7 0.000001645 0.0000036779999999 0.000008223 0.00001839 0.000041119999999 0.000091939999999 95-57-8 7245 144208608 A A 2-Chlorophenol Oc1ccccc1Cl Tox21_201410 -NCGC00254992-01 196720804 tox21-ror-cho-viability-p1 set3 4 10.60575443 1.37348488 2.69194157 5.56691475 6.79177106 3.58184637 -3.71596964 8.85211425 9.35648782 7.9312683 8.64337682 7.21809841 10.35667209 2.99776478 2.76696125 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-58-4 7877 144211409 A Ac tert-Butylacrylamide CC(C)(C)NC(=O)C=C Tox21_301092 -NCGC00255007-01 196720820 tox21-ror-cho-viability-p1 set3 4 2.73078502 10.86592032 0.56304591 13.25207416 2.31074159 0.30793749 1.95128048 -1.69311425 -0.1212944 5.55370385 0.15915371 7.28023787 1.26659877 0.43628469 2.48928289 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 106-36-5 7803 144211424 FNS Propyl propionate CCC(=O)OCCC Tox21_301107 -NCGC00259922-01 196721213 tox21-ror-cho-viability-p1 set3 -2.2 67.9623322576 -48.6398831434 -4.469291657 -53.1091748004 3.9294729863 0.9236827725 0.0000810239 -6.10330693 -3.07512278 -1.54438633 3.3223296 -7.78569077 -5.03173973 -6.18903738 -6.86284627 -6.26002233 -3.25159101 -6.07764554 -6.17950155 -5.2734792 -10.54950369 -41.37058697 1.171E-9 2.6189999999E-9 5.856E-9 1.31E-8 2.9279999999E-8 6.5479999999E-8 1.464E-7 3.274E-7 7.3209999999E-7 0.000001637 0.00000366 0.000008185 0.0000183 0.00004092 0.00009151 87-66-1 1057 144209571 Z Z Pyrogallol Oc1cccc(O)c1O Tox21_202373 -NCGC00259497-01 196721601 tox21-ror-cho-viability-p1 set3 4 27.973820538 -8.2428498679 1 -7.2428498679 4.9549173134 0.4980534036 0.1815763461 2.9440276 -6.8853798 -0.08706807 0.72043785 -0.21409315 2.74642238 1.47899751 1.81950706 4.80889942 0.23984199 0.69824201 0.26183923 2.88825353 -8.95237489 -5.51926558 1.204E-9 2.692E-9 6.02E-9 1.346E-8 3.01E-8 6.7309999999E-8 1.5049999999E-7 3.365E-7 7.5249999999E-7 0.000001683 0.000003763 0.000008413 0.000018809999999 0.000042069999999 0.00009406 125-33-7 4909 144209146 A A Primidone CCC1(C(=O)NCNC1=O)c2ccccc2 Tox21_201948 -NCGC00259298-01 196721611 tox21-ror-cho-viability-p1 set3 4 27.3893479715 13.6855697439 -4.1855697439 9.5 4.9549173134 0.5368644544 0.1465465209 -4.47090496 1.5787888 -1.60120515 5.96350849 -6.93445486 -5.12901417 -8.07130812 -4.739805 -7.31679996 -3.5277372 -7.68330291 -3.71420055 -6.28071194 12.91059699 5.62778428 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004133 0.000092409999999 496-72-0 10332 144208947 A A 3,4-Diaminotoluene Cc1cc(N)c(N)cc1 Tox21_201749 -NCGC00258802-01 196721614 tox21-ror-cho-viability-p1 set3 4 17.0188970548 12.545572388 -8.545572388 4 1.031 0.5636576801 0.1250698487 -6.77392633 -5.77803712 -4.8759781 -7.90810117 -5.8072778 -15.03797699 -10.16905825 -12.60558944 -8.386087 -7.47115466 -1.36869636 -6.51878982 -4.28064983 2.33637064 1.58105924 1.1679999999E-9 2.6109999999E-9 5.8389999999E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.299E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.000040799999999 0.000091239999999 5332-73-0 1672 144208448 AC Fc 3-Methoxypropylamine NCCCOC Tox21_201250 -NCGC00259560-01 196721616 tox21-ror-cho-viability-p1 set3 4 27.7509219265 12.0302311999 -4.0302311999 8 1.752947691 0.3085972584 0.3595199027 -4.41726865 -4.64269762 1.61619596 10.5268445 -6.56513806 -7.93075913 -12.108526 -8.47960382 -7.02203535 -2.32906582 -4.32992012 -2.47547872 0.27568235 3.74532105 6.72480811 1.196E-9 2.6749999999E-9 5.981E-9 1.337E-8 2.9899999999E-8 6.6869999999E-8 1.4949999999E-7 3.3429999999E-7 7.476E-7 0.0000016719999999 0.0000037379999999 0.000008358 0.00001869 0.00004179 0.00009345 3926-62-3 23665759 144209209 D Sodium chloroacetate [Na+].[O-]C(=O)CCl Tox21_202011 -NCGC00259220-01 196721625 tox21-ror-cho-viability-p1 set3 4 0.0155115913 7.7335750279 -8.2335750279 -0.5 4.9549173134 0.7029980494 0.0372665427 -7.01344298 -6.18777864 -11.02797919 -6.27998555 0.18542787 -1.76180226 -1.0208702 -3.22543183 -4.39191291 -0.70554833 1.35859528 1.52523499 -1.55939061 2.96502505 -0.95379321 1.19E-9 2.66E-9 5.949E-9 1.3299999999E-8 2.9739999999E-8 6.6509999999E-8 1.487E-7 3.325E-7 7.436E-7 0.000001663 0.000003718 0.000008314 0.00001859 0.00004157 0.00009295 57-10-3 985 144208869 A A Hexadecanoic acid O=C(O)CCCCCCCCCCCCCCC Tox21_201671 -NCGC00257329-01 196718317 tox21-ror-cho-viability-p1 set2 4 39.384636472 -14.37720362 0 -14.37720362 3.6772481694 0.3634042172 0.3078275584 -2.14715294 0.99309245 -0.21944171 3.09072313 -5.79687526 -9.89954948 0.85258745 -2.10740231 5.60514988 2.11197569 5.08400142 0.84868372 -1.13958683 -2.65968384 -11.56433635 7.4319999999E-10 1.662E-9 3.716E-9 8.31E-9 1.8579999999E-8 4.1549999999E-8 9.291E-8 2.077E-7 4.645E-7 0.000001039 0.000002323 0.000005194 0.000011609999999 0.000025969999999 0.00005807 2919-66-6 250948 144213722 A A Melengestrol acetate CC(=O)[C@@]3(OC(C)=O)C(=C)C[C@H]2[C@@H]4C=C(C)C1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_303411 -NCGC00256633-01 196718306 tox21-ror-cho-viability-p1 set2 4 -0.89197015 1.04084199 0.71006462 -3.67658803 -2.24996284 -0.94944371 -5.26715401 -0.08811966 -0.00151914 0 -1.76433631 3.32593288 1.24926934 1.4210211 -0.05658587 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-47-3 7194 144212939 A A 2-Phenylethyl benzoate O=C(OCCc1ccccc1)c2ccccc2 Tox21_302622 -NCGC00256372-01 196718307 tox21-ror-cho-viability-p1 set2 4 -5.03315771 -0.66108356 -1.84183401 -7.32283809 -11.15852189 -4.5085413 -8.30037807 1.24563452 -2.9562561 -17.03640619 0.28087901 -2.54263216 0.38242963 -4.66324398 1.15650581 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 1936-15-8 9566064 144213336 A A C.I. Acid Orange 10 [Na+].[Na+].[O-]S(=O)(=O)c3cc(cc2ccc(O)c(/N=N/c1ccccc1)c23)S([O-])(=O)=O Tox21_303019 -NCGC00090749-12 196716884 tox21-ror-cho-viability-p1 set2 4 -1.84153184 -2.79772685 -2.16654924 -0.57768077 0.91315701 -0.9391019 -0.38275429 1.45370101 -2.5023609 -0.49438504 -0.37844276 -2.53843335 -2.43501475 -5.61277788 -7.03639643 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6898-97-1 3054 170464803 A Diethylstilbestrol Oc1ccc(cc1)C(CC)=C(CC)c2ccc(O)cc2 Tox21_111005_1 -NCGC00160361-02 196716877 tox21-ror-cho-viability-p1 set2 4 -4.14697578 -4.13981816 1.38406994 -6.21644522 -2.54101996 1.13376075 0.22600629 0.27788285 -1.83263551 -4.32927335 -2.82730692 0.94274531 -3.1229549 -4.12275822 0.02416699 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17692-71-6 5399858 170466161 A Vanitiolide S=C(c1ccc(O)c(OC)c1)N2CCOCC2 Tox21_111762_1 -NCGC00179663-03 196716879 tox21-ror-cho-viability-p1 set2 4 1.92522094 -8.91086513 -0.38514567 -3.58296779 -5.88412413 -7.17536174 -2.95646445 1.78677429 -3.13622497 -0.43402789 -5.32414914 -0.37169665 0.13840357 0.52439709 0.74400955 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 159701-44-7 6321253 170465966 A (-)-(5S,8R)-Lisuride CCN(CC)C(=O)N[C@@H]2C=C1c3cccc4ncc(C[C@@H]1N(C)C2)c34 Tox21_112019_1 -NCGC00016244-15 196716880 tox21-ror-cho-viability-p1 set2 4 -1.89681831 -1.24374717 -0.03924017 1.72208079 1.59431449 -0.65976816 1.11162973 7.0544162 -0.22483552 -0.02381737 -0.60260868 1.28394387 0.26955662 0.7493882 6.93393861 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54-85-3 3767 170466877 Z Isoniazid O=C(NN)c1ccncc1 Tox21_113640_1 -NCGC00168259-02 196717292 tox21-ror-cho-viability-p1 set2 4 5.6308961647 5.4965005479 -4.4965005479 1 2.8472712143 0.3856681578 0.2880082761 -1.65760311 -6.70648273 -5.45088747 -7.24924405 -1.3930685 -2.02323489 1.0060281 -3.63035077 -9.99708379 -6.05621877 -1.73887034 -0.96066914 2.09966931 -0.67349148 1.58379594 1.335E-9 2.986E-9 6.6769999999E-9 1.493E-8 3.339E-8 7.465E-8 1.669E-7 3.733E-7 8.3469999999E-7 0.000001866 0.000004173 0.000009332 0.00002087 0.00004666 0.00010429999999 29705-96-2 151318 144206428 A A 4-Bromo-2,5-dimethoxyamphetamine hydrochloride Cl.COc1cc(CCN)c(cc1Br)OC Tox21_112875 -NCGC00160529-06 196717298 tox21-ror-cho-viability-p1 set2 4 -0.45908079 -5.48363955 0.80366751 -5.45018669 -3.20123754 0.76994551 -4.94487123 -1.42831312 -6.14705543 -1.58932652 -3.73957313 -1.11241319 -0.87636018 2.61585252 -1.66395304 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51322-75-9 5487 170465419 A Tizanidine hydrochloride Clc2ccc3nsnc3c2NC1=NCCN1 Tox21_111876_1 -NCGC00091261-03 196717299 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -25.469434176 2 -23.469434176 2.6384283767 0.8014268897 0.0077724449 1.67615788 1.13527168 1.51048348 1.57470721 4.40981996 5.77149718 3.39580544 6.8039177 0.27541411 1.79526755 -1.22240347 -0.06559189 -2.50546082 -2.31890968 -16.22452848 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00253638-01 196717305 tox21-ror-cho-viability-p1 set2 4 0.004216325 9.082137104 -9.082137104 0 1.6266150999 0.8769262729 0.0009170723 -6.76159284 -9.65178092 -6.63450236 -1.04276431 -1.37884347 -1.40926171 -0.62826435 0 -0.1640083 1.85372584 0.109953 -0.60171176 -0.7556549 0.79314039 0.88250059 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 652-37-9 69550 170466658 A A Acephylline O=C(O)Cn2cnc1c2C(=O)N(C)C(=O)N1C Tox21_113765 -NCGC00258300-01 196715653 tox21-ror-cho-viability-p1 set2 4 4.62109169 0.16178655 -0.73347016 -0.71086005 1.89763438 1.25268525 -0.61958302 0.94054085 -0.61505884 0.36048833 2.48581358 0.95225475 2.2663048 2.40722356 -0.49104087 1.198E-9 2.6779999999E-9 5.989E-9 1.339E-8 2.994E-8 6.696E-8 1.497E-7 3.3479999999E-7 7.486E-7 0.0000016739999999 0.0000037429999999 0.00000837 0.000018719999999 0.00004185 0.00009358 104-38-1 66912 144207944 A A 2,2'-[1,4-Phenylenebis(oxy)]diethanol OCCOc1ccc(OCCO)cc1 Tox21_200746 -NCGC00254674-01 196714841 tox21-ror-cho-viability-p1 set2 4 1.0082236 -1.33906074 -1.7508423 0.88498676 2.37987518 1.3573986 -0.64448183 -1.44164173 -0.40088502 3.43774381 2.74272811 4.48208389 1.52513613 2.09134433 1.79525933 1.239E-9 2.771E-9 6.196E-9 1.386E-8 3.098E-8 6.928E-8 1.549E-7 3.464E-7 7.746E-7 0.0000017319999999 0.000003873 0.00000866 0.000019359999999 0.000043299999999 0.000096819999999 111-94-4 8149 144211087 BC A 3,3'-Iminobispropanenitrile N#CCCNCCC#N Tox21_300770 -NCGC00254828-01 196715237 tox21-ror-cho-viability-p1 set2 4 24.3365162115 13.3763372239 -7.3763372239 6 0.6999999999 0.5728460658 0.1180012899 -9.40362189 -9.48028102 -6.61813622 -5.29741312 -7.39092646 -5.24586441 -6.57476766 -9.26986383 -8.44305631 0.21755874 -2.71264194 -3.61321722 -7.60770422 2.75076815 4.10607214 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-95-0 7358 144211243 A Ac 2-Ethyl-1-butanol CCC(CC)CO Tox21_300926 -NCGC00254877-01 196715258 tox21-ror-cho-viability-p1 set2 4 -3.78402678 -7.79647026 -5.32675037 -1.00414382 -8.68717357 -6.74933674 -6.98354973 -2.11331839 -4.91407109 -7.04774602 -1.60064394 -1.84910994 -3.3453689 -2.16446411 1.18008374 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-55-4 7940 144211292 A A Glutaric anhydride O=C1CCCC(=O)O1 Tox21_300975 -NCGC00091650-03 196715661 tox21-ror-cho-viability-p1 set2 -2.4 76.9588215421 -28.950819464 -1.5 -30.450819464 4.9549173134 0.9139186273 0.0001520165 -4.86493623 -1.42043417 -0.45043796 -2.1168216 -3.33034781 -0.47312357 -1.86080131 -1.74975873 -2.22521044 -1.97416577 -3.32402032 1.2592884 0.33920158 -0.11173591 -23.70901622 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00163818-04 196726934 tox21-ror-cho-viability-p1 set3 4 1.1593197161 -17.618189404 1 -16.618189404 0.7 0.9079125799 0.0004009233 5.06503038 0.3965437 0.1511575 -2.12449743 -2.62456328 0.31955344 -1.68495741 -5.17568783 -6.08071069 -6.51256616 -13.01316835 -15.05533649 -15.09849117 -13.22953599 -2.07120964 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.00009723 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00257095-01 196726523 tox21-ror-cho-viability-p1 set3 4 -2.0822605 -4.75212942 1.53207528 0.21372101 -4.94207962 -0.41713144 1.11307029 -0.2196399 -0.36790458 1.95949006 2.28806037 2.31937518 0.19177678 3.81619476 0.30295474 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 2530-83-8 17317 144213605 F F Trimethoxy[3-(oxiran-2-ylmethoxy)propyl]silane CO[Si](CCCOCC1CO1)(OC)OC Tox21_303288 -NCGC00257149-01 196726525 tox21-ror-cho-viability-p1 set3 4 1.2548569 -1.53328472 1.39157434 2.41537857 0.88611405 3.64350518 -1.77970658 -1.8610283 1.82971469 2.63080918 -0.5882046 -1.5311645 -1.39783214 2.53208348 0.47026631 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1703-58-8 15560 144213553 A Ac 1,2,3,4-Butanetetracarboxylic acid OC(=O)CC(C(CC(=O)O)C(=O)O)C(=O)O Tox21_303236 -NCGC00256816-01 196726533 tox21-ror-cho-viability-p1 set3 4 -1.35741299 4.10905148 0.96506245 2.34003796 0.54954374 2.24209534 -0.95559246 0.861307 2.63637518 -1.04717285 -1.19573256 0.15994715 3.1547157 2.48054136 4.06487156 1.109E-9 2.4799999999E-9 5.5449999999E-9 1.2399999999E-8 2.772E-8 6.199E-8 1.3859999999E-7 3.1E-7 6.931E-7 0.00000155 0.000003465 0.000007749 0.00001733 0.00003874 0.00008664 55-06-1 23666110 144212831 A B 3,3',5-Triiodo-l-thyronine sodium salt [Na+].[O-]C(=O)[C@@H](N)Cc2cc(I)c(Oc1cc(I)c(O)cc1)c(I)c2 Tox21_302514 -NCGC00257395-01 196726936 tox21-ror-cho-viability-p1 set3 -2.2 21.6899429044 -50.3276729742 -0.426364409 -50.7540373832 1.4780888099 0.9127615519 0.000161335 4.84239846 7.54957621 0.83194499 -0.42393893 -0.43996338 -2.2900241 -6.31049008 -2.91285706 -5.4543233 -4.89571026 -5.90044235 -3.11518626 -29.30804711 -32.82551439 -46.71406788 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131-55-5 8571 144213944 A A 2,2',4,4'-Tetrahydroxybenzophenone O=C(c1ccc(O)cc1O)c2ccc(O)cc2O Tox21_303639 -NCGC00256696-01 196726941 tox21-ror-cho-viability-p1 set3 4 -2.34870828 -6.6081317 3.17789467 2.71281825 -0.64348937 -17.70495264 -3.42893622 0.44478037 0 0 -2.50476952 -2.78835879 -5.11542353 -5.35956522 -4.05226429 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-87-9 62336 144213023 A A 2-Phenylpropionaldehyde dimethyl acetal COC(OC)C(C)c1ccccc1 Tox21_302706 -NCGC00257044-01 196726948 tox21-ror-cho-viability-p1 set3 4 1.16486391 2.46357913 3.10619638 3.3118344 0.24898145 1.50672673 5.93345583 3.59715312 5.41292307 7.33234749 5.3184557 4.41106421 -0.05161541 -0.14798927 6.08368894 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-16-8 7375 144213398 A F 3-(Trifluoromethyl)aniline FC(F)(F)c1cc(N)ccc1 Tox21_303081 -NCGC00255213-01 196727992 tox21-ror-cho-viability-p1 set3 4 -3.58554649 -6.67327609 -0.39701286 -6.0095693 -3.21130636 -1.25957776 3.22570253 -6.62126975 -2.32270933 -7.69792984 -3.74298593 -6.42870311 -6.05847449 -3.9737621 -1.69823374 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-49-3 72060 144212525 A A Ethylphenylacetylurea CCC(C(=O)NC(N)=O)c1ccccc1 Tox21_302208 -NCGC00255581-01 196727982 tox21-ror-cho-viability-p1 set3 4 2.72318407 5.50960187 5.47386108 7.82681779 -2.14706636 4.94831799 -1.24114456 2.78494998 9.98491919 7.92840114 2.08291697 7.40058319 4.31081714 2.93571479 3.20153926 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111991-09-4 73281 144212159 F F Nicosulfuron O=S(=O)(NC(=O)Nc1nc(OC)cc(OC)n1)c2ncccc2C(=O)N(C)C Tox21_301842 -NCGC00255396-01 196727987 tox21-ror-cho-viability-p1 set3 1.4 0.0432771257 33.5 -1.5 32 0.4 0.7247540729 0.425550425 1.04495407 8.38766448 10.1884983 16.19552844 17.3493712 14.21470222 7.59790089 20.8988012 32.14192395 8.26195021 10.14943496 30.75472405 24.70536771 27.32978565 19.47168865 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-53-7 10695 144212547 A F 1,2,3,5-Tetramethylbenzene Cc1cc(C)c(C)c(C)c1 Tox21_302230 -NCGC00255782-01 196727991 tox21-ror-cho-viability-p1 set3 4 4.3905172308 -9.39273818 2 -7.39273818 3.6772481694 0.865055433 0.0014004253 0 1.21388596 3.87368616 0.09280218 2.95771994 1.71722729 2.3399791 2.11676459 4.61493484 -0.80379672 -0.21151096 -6.74805574 -7.96138582 -4.88161163 -8.66061515 1.085E-9 2.427E-9 5.427E-9 1.213E-8 2.713E-8 6.067E-8 1.3569999999E-7 3.034E-7 6.783E-7 0.0000015169999999 0.000003392 0.0000075839999999 0.00001696 0.00003792 0.00008479 15086-94-9 27020 144211870 2',4',5',7'-Tetrabromofluorescein Brc4c5Oc1c(Br)c(O)c(Br)cc1C3(OC(=O)c2ccccc23)c5cc(Br)c4O Tox21_301553 -NCGC00255515-01 196727993 tox21-ror-cho-viability-p1 set3 4 -0.6589975 -5.79425482 -0.95218201 -2.19691188 0.66173404 -0.90070759 3.61561093 0.73962878 0.25553189 -0.72248578 0.3351575 -3.5676981 -3.54783294 0.25766925 -2.46893697 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87130-20-9 91742 144212232 A A Diethofencarb CCOc1cc(ccc1OCC)NC(=O)OC(C)C Tox21_301915 -NCGC00091775-03 196703685 tox21-ror-cho-viability-p1 set1 -2.2 27.3060203028 -51.7963649145 1.043808088 -50.7525568265 1.6258976909 0.9771893631 1.015E-7 2.26694098 2.09990225 -0.71018943 -0.88256833 0.55861875 0.22522124 2.84471642 4.60405155 1.49062979 -0.86795224 0.50828172 -9.47395541 -12.60897848 -34.68872082 -44.51978669 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00357204-01 196703263 tox21-ror-cho-viability-p1 set1 4 -0.47249595 2.43387266 0.57412616 -0.2016997 -0.48152482 -1.44619517 3.28774368 -0.31219103 -1.0036531 2.75436098 0.68708303 0.62444902 -1.59946919 3.13300713 1.76915227 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5949-05-3 443157 251919795 A (S)-(-)-Citronellal C\C(C)=C\CC[C@H](C)CC=O Tox21_303980 -NCGC00260263-01 196703674 tox21-ror-cho-viability-p1 set1 -2.4 26.9829334604 -22.25185728 -0.5 -22.75185728 4.9549173134 0.7363584391 0.0238191494 -1.45546777 10.73309704 1.58423949 -1.51675547 -4.95107219 -3.33244952 -1.63919316 0.55350702 1.33262081 -6.30783595 -4.92042062 -1.15200859 -0.84425232 -26.0432144 -18.69167279 1.286E-9 2.8749999999E-9 6.428E-9 1.437E-8 3.214E-8 7.187E-8 1.607E-7 3.593E-7 8.0349999999E-7 0.000001797 0.0000040179999999 0.000008983 0.00002009 0.00004492 0.0001004 101-85-9 6076971 144209913 A A alpha-Amylcinnamyl alcohol CCCCCC(/CO)=C/c1ccccc1 Tox21_202715 -NCGC00258711-01 196704081 tox21-ror-cho-viability-p1 set1 -1.2 15.4490445948 -54.7648876358 -1.348977379 -56.1138650148 1.826479391 0.9717791705 3.429E-7 -1.11680889 0.17526927 -4.30688224 -0.38551822 0.0895558 -0.74194425 -4.1939291 1.8883609 -4.03610021 -1.81095789 -4.59551797 -10.23570641 -40.59602592 -44.89393469 -51.60141289 1.1859999999E-9 2.6519999999E-9 5.929E-9 1.326E-8 2.9649999999E-8 6.629E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008286 0.00001853 0.000041429999999 0.00009265 23541-50-6 62770 144208357 A A Daunomycin hydrochloride Cl.CC(=O)[C@@]4(O)C[C@H](O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1)c5c(O)c3C(=O)c2c(OC)cccc2C(=O)c3c(O)c5C4 Tox21_201159 -NCGC00260405-01 196704087 tox21-ror-cho-viability-p1 set1 4 -4.59626523 -5.10217212 -1.28627399 -2.40757875 4.83134669 -5.51949356 1.30318668 -1.75687163 -2.05172384 2.1854768 0.03058979 -2.27665661 -6.23065756 -2.78730472 -5.02169033 1.222E-9 2.733E-9 6.1119999999E-9 1.367E-8 3.056E-8 6.8339999999E-8 1.528E-7 3.417E-7 7.64E-7 0.0000017079999999 0.00000382 0.0000085419999999 0.0000191 0.000042709999999 0.000095499999999 623-39-2 92822 144210057 A A 1-O-Methylglycerol OCC(O)COC Tox21_202859 -NCGC00260038-01 196704090 tox21-ror-cho-viability-p1 set1 -2.4 43.5413235903 -31.3588086639 0 -31.3588086639 2.3331733767 0.922222587 0.0000896182 -2.70018546 2.97799882 4.46324335 -1.85863143 -0.91282366 -0.48379318 1.74837115 -0.87403991 -0.77854722 -2.10337598 -2.36431763 -1.016173 -0.41501999 -16.44081068 -26.54900722 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 12083-48-6 82917 144209687 Fns Bis(cyclopentadienyl)vanadium chloride Cl[V](Cl)(C1C=CC=C1)C2C=CC=C2 Tox21_202489 -NCGC00255468-01 196701204 tox21-ror-cho-viability-p1 set1 4 -4.9436391 -3.38008015 0.81761891 -5.02881527 -7.47054072 -3.51568115 -4.62029424 -3.61107122 -0.63108991 -4.8507367 -5.002409 -5.23140407 -4.81580213 -6.73657472 -3.17225269 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-00-9 1066 144212368 A A 2,3-Pyridinedicarboxylic acid OC(=O)c1ncccc1C(=O)O Tox21_302051 -NCGC00256057-01 196700793 tox21-ror-cho-viability-p1 set1 -2.1 61.130564862 -105.4555068228 -2.240994167 -107.6965009898 3.5722481694 0.9491785485 0.0000091841 -0.57138127 1.50643949 0.35807219 -15.46182644 4.42260426 -9.06130879 -7.27105995 1.25443468 -5.96821291 1.84664772 -0.57071869 0.78865811 -1.60261455 -22.50292758 -87.98733741 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18924-66-8 12942137 144211551 A A 2,2'-(Tetradecylimino)diethanol OCCN(CCCCCCCCCCCCCC)CCO Tox21_301234 -NCGC00255721-01 196701194 tox21-ror-cho-viability-p1 set1 4 0.0051136718 10.3773746999 -10.3773746999 0 1.9673362061 0.7976785103 0.0085168821 -8.78857639 -9.89781225 -2.32203709 -1.72027075 -2.91554846 -0.64599744 -2.04003748 0.82646817 -0.94854396 -1.4514116 0.41446613 -0.29996855 1.69802969 1.92104407 2.26737549 1.2319999999E-9 2.755E-9 6.161E-9 1.378E-8 3.0809999999E-8 6.8879999999E-8 1.54E-7 3.444E-7 7.7009999999E-7 0.000001722 0.000003851 0.0000086099999999 0.00001925 0.000043049999999 0.00009627 618-45-1 12059 144211875 A A 3-Isopropylphenol CC(C)c1cc(O)ccc1 Tox21_301558 -NCGC00255843-01 196701200 tox21-ror-cho-viability-p1 set1 4 68.5198756601 -27.592324924 3.5 -24.092324924 3.6772481694 0.8001896398 0.0079606846 7.6121882 0.7025819 0.64598723 2.34199985 -0.00887063 3.07008117 3.5023736 9.16809877 6.65221588 2.93588592 4.06569792 2.9554503 0.27126919 0.24603585 -17.16027077 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 203313-25-1 9969573 144212747 A A Spirotetramat O=C(OCC)OC2=C(C(=O)N[C@@]12CC[C@H](CC1)OC)c3cc(C)ccc3C Tox21_302430 -NCGC00255801-01 196701212 tox21-ror-cho-viability-p1 set1 4 0.82920653 -0.39537511 3.66469544 0.01707048 0.22463068 -0.82110248 0.42418214 -0.9820053 -11.13898286 -0.322246 0.57647973 1.11787534 -7.36458708 0.27888994 -5.89144589 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16489-90-0 86013 144211546 A A 6-Ethoxy-2,3,4-trimethyl-1,2,3,4-tetrahydroquinoline CCOc1ccc2NC(C)(C)CC(C)c2c1 Tox21_301229 -NCGC00256185-01 196701213 tox21-ror-cho-viability-p1 set1 4 2.82014623 4.47149289 2.4466777 1.44948577 2.3145545 -8.31765054 0.08814612 2.59993794 -2.03382194 4.74998129 1.6478907 0.38240896 0.44996877 0.06231449 0.12982807 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-20-4 66573 144211589 A A 9-Ethyl-3-nitro-9H-carbazole [O-][N+](=O)c2cc3c1ccccc1n(CC)c3cc2 Tox21_301272 -NCGC00090721-03 196701028 tox21-ror-cho-viability-p1 set1 4 24.3365162115 10.251561048 -2.251561048 8 0.4 0.426632736 0.249208735 -0.78492434 -3.41898134 -6.04296754 2.13493916 0.18728887 -2.45239297 -4.97837018 1.45577797 3.81148874 -0.70790888 1.29965863 0.05498797 1.00384023 3.47805698 5.62344144 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00090987-03 196701030 tox21-ror-cho-viability-p1 set1 4 27.3060203028 -20.134505964 -2 -22.134505964 0.7999999999 0.529179418 0.153249537 -3.81294192 -4.8861505 -7.81060291 0.49782118 -2.22728614 -0.66784029 -3.6618833 -12.18736593 -4.36117001 1.83884359 -4.33482061 -10.43511804 -8.11671875 -14.75535507 -16.77875497 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00255157-01 196701033 tox21-ror-cho-viability-p1 set1 4 -1.66505683 -2.44119669 -5.68930235 -1.96480965 -6.66838888 -2.4811323 -5.28995614 -4.20363461 0.1397773 4.80753501 -2.71007259 -3.67011654 -6.55677851 2.013923 3.55290077 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-66-0 31265 144211534 F Fns Ethyl hexanoate O=C(CCCCC)OCC Tox21_301217 -NCGC00255161-01 196701430 tox21-ror-cho-viability-p1 set1 4 -11.07032618 0.45294416 -0.27772423 -12.40244353 -2.97519912 -8.77433228 -0.57515936 -9.60853559 -13.90120053 -1.60557781 -7.10226519 -11.00577907 -13.02093048 -5.26830969 -7.03600576 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 689-11-2 12715 144212020 A A sec-Butylurea CC(CC)NC(N)=O Tox21_301703 -NCGC00244579-01 196698967 tox21-ror-cho-viability-p1 set1 -2.2 61.130564862 -49.8478151726 -0.730351211 -50.5781663836 3.1924983358 0.9696987291 5.15E-7 1.60096211 -1.0035935 0.59943246 -0.78857906 2.47156788 0.1396342 0.32619962 -1.22368142 -3.6674459 -0.94889064 0.82828073 -4.79365772 -1.50871946 -11.75807353 -39.83194423 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00164480-02 196698547 tox21-ror-cho-viability-p1 set1 4 1.9458465 1.54948599 -4.19839819 -1.66406918 0.91822435 1.02541712 2.06414698 -2.71077752 -2.36900201 0.22255196 -0.42710591 0.2959438 -2.58387575 0.52315829 0.6139701 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1954-79-6 71808 170466252 F Mecloralurea CNC(=O)NC(O)C(Cl)(Cl)Cl Tox21_112123_1 -NCGC00262942-01 196698550 tox21-ror-cho-viability-p1 set1 4 -3.98650031 -0.48817848 -0.25371755 2.26568113 4.13230806 0.3352379 3.28352576 -0.52277743 -1.08559643 -2.27366232 -0.65520504 -1.04808339 -1.17881137 -1.46407507 -2.18762062 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1146-95-8 121035 170465899 F A Etifelmine hydrochloride Cl.CCC(\CN)=C(/c1ccccc1)c2ccccc2 Tox21_113935 -NCGC00254020-01 196698956 tox21-ror-cho-viability-p1 set1 4 54.4826732819 -25.554620948 2.5 -23.054620948 2.9022712143 0.7529662148 0.0186581227 1.33821847 8.52066888 -1.24917637 2.72701781 0.17555503 1.84669029 6.77280918 -1.3405364 3.96813918 -2.56927596 7.45771823 1.53457294 1.36751137 -5.45608858 -18.37885079 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 732-26-3 12902 144210441 A 2,4,6-Tris(tert-butyl)phenol CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(C)(C)C Tox21_300121 -NCGC00254748-01 196698973 tox21-ror-cho-viability-p1 set1 -1.1 24.3365162115 -86.6533698482 0.4556423469 -86.1977275013 4.5044702849 0.9962333553 0 0.90993516 1.67963156 -2.4298166 -0.41228688 -0.22479509 0.43518406 -2.00286073 5.43595572 0.10740395 -0.20001473 0.43013761 -0.47153988 -19.29240348 -79.54010765 -85.00762081 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 300-76-5 4420 144211162 F Naled COP(=O)(OC)OC(Br)C(Cl)(Br)Cl Tox21_300845 -NCGC00255040-01 196699372 tox21-ror-cho-viability-p1 set1 4 -2.71357236 -0.91134425 -3.11360858 -1.00444906 -1.66505255 -1.3125294 -0.01527641 -0.39419847 -1.54451132 0.37971931 -1.19804025 2.88548429 -0.44065361 -0.82025751 5.77237267 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3011-89-0 2075 144211459 A A 2-Chloro-4-nitrobenzamide O=C(N)c1ccc(cc1Cl)[N+]([O-])=O Tox21_301142 -NCGC00254615-01 196699376 tox21-ror-cho-viability-p1 set1 4 54.4826732819 -15.411602144 -1 -16.411602144 3.1319983358 0.4196821602 0.2535602137 -0.14886527 1.38202265 -12.603877 0.30030203 0.46869922 -8.12040279 0.39280706 1.34351988 0.6598403 -0.02634621 1.6990157 0.06221625 1.4971276 -5.97649646 -13.67633512 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-10-7 7479 144211024 A A 4-Dimethylaminobenzaldehyde CN(C)c1ccc(C=O)cc1 Tox21_300707 -NCGC00255038-01 196699379 tox21-ror-cho-viability-p1 set1 4 30.6378586933 12.774108004 -2.774108004 10 1.24751 0.8302259999 0.0040158753 -1.37149308 -3.25565924 -1.9912578 -2.71180675 -4.2334391 -3.70206517 -0.4818805 -4.81175667 -3.21901205 -3.55794541 1.31343343 -1.15020931 1.06094285 3.79612566 8.51921271 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18436-37-8 86736 144211457 A A alpha-Hexyl-gamma-butyrolactone O=C1OCCC1CCCCCC Tox21_301140 -NCGC00253944-01 196699385 tox21-ror-cho-viability-p1 set1 4 -1.58557438 -3.43546997 -0.7448664 -0.49667712 -1.7312241 -3.650437 0.40505791 -0.52058574 -1.35791699 0.2661988 0.13942992 0.06103423 0.16372327 0.06969905 2.10708319 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-88-0 7896 144210405 A A 1,3-Butanediol CC(O)CCO Tox21_300085 -NCGC00255887-01 196728609 tox21-ror-cho-viability-p1 set3 4 2.92090514 -0.44414843 1.79324526 0.19718898 5.36300162 2.22703804 1.48438181 -0.24125261 4.78981728 2.49001802 3.33033382 -1.95933969 3.42357429 1.26375036 -1.16869448 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 29836-26-8 62852 144212479 A A Octyl beta-D-glucopyranoside OC[C@H]1O[C@@H](OCCCCCCCC)[C@H](O)[C@@H](O)[C@@H]1O Tox21_302162 -NCGC00255964-01 196728188 tox21-ror-cho-viability-p1 set3 -1.1 1.3685428777 -111.5300095516 8.910856512 -102.6191530396 1.21 0.9893629836 1.2E-9 1.04894048 18.79275248 5.56570216 5.49526016 13.92958832 5.78365324 1.820723 -8.78991681 -28.22951136 -56.34158167 -70.84782629 -97.52334852 -100.01866768 -99.99166834 -96.82138233 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1600-27-7 15337 144212317 A Mercury(II) acetate [Hg+2].[O-]C(C)=O.[O-]C(C)=O Tox21_302000 -NCGC00255400-01 196728187 tox21-ror-cho-viability-p1 set3 1.4 0.0108707225 27.7746343759 -4 23.7746343759 0.6999999999 0.6520435236 0.1050326013 0.39226744 0.51651793 12.1276258 8.51297572 12.28890697 22.21149714 19.92586554 22.96512704 17.08272733 21.4802767 13.08160221 38.07215495 26.3905529 25.02092345 14.89475437 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13893-53-3 94355 144212513 F 2-Amino-2,3-dimethylbutanenitrile CC(C)C(C)(N)C#N Tox21_302196 -NCGC00255840-01 196728197 tox21-ror-cho-viability-p1 set3 4 -1.05568925 4.99195816 -0.40173198 -1.49819962 -1.18574866 -0.09452967 1.06294696 1.25062198 0.29636614 -2.79806105 2.18430057 -4.78690658 -2.97446865 -3.11091355 -0.25803366 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26402-26-6 3033877 144211852 A A Glyceryl monooctanoate OCC(O)COC(=O)CCCCCCC Tox21_301535 -NCGC00255997-01 196728204 tox21-ror-cho-viability-p1 set3 4 2.55773447 9.28517384 3.27119036 3.91613333 12.16026678 -3.6875099 14.68944459 11.31030043 5.28518437 -4.65527556 -4.07939883 9.56707427 11.95494156 12.72852413 8.19932286 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 578-54-1 11357 144211693 A Fns 2-Ethylaniline CCc1ccccc1N Tox21_301376 -NCGC00255441-01 196728602 tox21-ror-cho-viability-p1 set3 4 -4.4422391 -3.11856056 2.01351234 -0.09490482 -2.1464195 1.54624306 0.73485411 -2.33576209 -0.35531257 -3.09481465 1.54381621 0.32622918 0.11346975 0.7368028 5.5539748 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 29973-13-5 34766 144211673 A A Ethiofencarb O=C(Oc1ccccc1CSCC)NC Tox21_301356 -NCGC00256214-01 196728606 tox21-ror-cho-viability-p1 set3 4 0.216899429 10.1698120519 -7.1698120519 3 1.331 0.5373622384 0.1461386395 0.00161221 -13.05817671 -7.24764888 -11.92984239 -1.7689888 -3.00278937 -7.26393816 2.43232377 -2.63711599 4.77816053 8.48041061 0.30976902 4.52763669 0.27335864 0.94174147 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6281-42-1 80480 144212275 Cc 1-(2-Aminoethyl)imidazolidin-2-one O=C1NCCN1CCN Tox21_301958 -NCGC00255983-01 196728611 tox21-ror-cho-viability-p1 set3 4 -0.02216347 -8.06261919 -2.86042769 -7.87820993 -6.85807055 -2.96041889 -6.62891256 -9.33546319 -5.13006997 -11.30264098 7.10901931 0.60609454 -1.26472623 -6.70222822 -10.22879885 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23947-60-6 32152 144212097 A A Ethirimol CCNc1nc(C)c(CCCC)c(O)n1 Tox21_301780 -NCGC00255718-01 196728617 tox21-ror-cho-viability-p1 set3 4 -3.54539815 1.38591094 5.73240325 -1.04959482 -0.31990849 4.0550232 1.64913123 2.29059038 -2.47629645 4.62926302 4.27270615 1.8528438 1.00452946 -2.02066855 2.29222994 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-69-6 7155 144211632 A A 1-(o-Tolyl)biguanide N=C(N)NC(=N)Nc1ccccc1C Tox21_301315 -NCGC00256299-01 196728622 tox21-ror-cho-viability-p1 set3 1.2 0.4836027771 36.5821075199 -0.2987159679 36.283391552 0.3 0.7834354025 0.0149959802 -0.66559664 9.92918521 9.68550719 5.18442959 15.44716754 8.35334874 20.95868198 17.30738646 22.05808444 17.21114535 19.58375163 20.58708335 27.87413604 34.1493662 12.05597762 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 5187-23-5 78860 144211716 A A (5-Ethyl-1,3-dioxan-5-yl)methanol OCC1(CC)COCOC1 Tox21_301399 -NCGC00091468-02 196728626 tox21-ror-cho-viability-p1 set3 4 2.24845454 -2.80703307 2.93458976 0.6493654 0.69427684 2.13634866 4.5581414 0.88518325 2.94690735 4.56950074 -1.36491271 -2.04226474 1.89458569 2.60367135 3.44605967 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00256155-01 196729023 tox21-ror-cho-viability-p1 set3 4 -0.91690291 3.45376613 2.09955379 -2.07194356 -2.22123585 5.87828949 3.56448981 1.09730985 7.33142135 -0.09935365 2.8500525 -2.68402605 0.00316014 -1.77905997 -0.44805631 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4221-98-1 442482 144212618 F Fns (R)-alpha-Phellandrene CC=1C=C[C@H](CC=1)C(C)C Tox21_302301 -NCGC00255154-01 196729040 tox21-ror-cho-viability-p1 set3 4 -1.62519987 5.25814041 -2.91446858 6.96084633 6.09091244 -1.19030052 -0.89882861 5.45886552 5.47570348 5.13252243 -2.31919831 1.19050346 -2.23082483 -2.50914008 -1.84141368 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1745-81-9 15624 144212373 A A 2-Allylphenol Oc1ccccc1CC=C Tox21_302056 -NCGC00015247-07 196716907 tox21-ror-cho-viability-p1 set2 2.1 23.7101376556 90.1539217667 -1.1455970479 89.0083247188 1.8616924601 0.9455677825 0.0000133493 -2.71752839 -1.31140834 -9.28799754 -7.0700951 -2.63269264 -5.52266564 -3.55183066 -1.58863224 5.0265101 7.00846474 5.25385946 7.01386163 11.70441614 32.88041442 71.57678894 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6640-24-0 1355 170466760 A 1-(3-Chlorophenyl)piperazine Clc1cc(ccc1)N2CCNCC2 Tox21_110110_1 -NCGC00257977-01 196716488 tox21-ror-cho-viability-p1 set2 4 5.79713934 1.16934983 0.45538227 -0.19362311 -1.07989222 0.64546452 -0.44275131 3.25784239 1.36351771 0.81202773 1.02726782 0.00010684 2.97582758 0.65342352 3.20447241 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 102-82-9 7622 144207621 FNS Tributylamine CCCCN(CCCC)CCCC Tox21_200423 -NCGC00258585-01 196716504 tox21-ror-cho-viability-p1 set2 4 42.0477706804 -21.230944164 4 -17.230944164 0.3 0.4683011398 0.2077158852 3.63128767 5.09954103 0.22249445 2.00285795 1.08535834 6.54255702 0.14291916 -7.37718147 0.21394009 -8.46237834 1.96348541 0.14155264 -2.8032851 -5.14209285 -12.69245347 1.152E-9 2.575E-9 5.759E-9 1.288E-8 2.879E-8 6.439E-8 1.44E-7 3.219E-7 7.199E-7 0.00000161 0.000003599 0.000008048 0.000018 0.00004024 0.00008998 4350-09-8 439280 144208230 A D L-5-Hydroxytryptophan O=C(O)[C@@H](N)Cc2cnc1ccc(O)cc12 Tox21_201032 -NCGC00016551-04 196716904 tox21-ror-cho-viability-p1 set2 4 0.0749780386 4.48578454 -5.48578454 -1 4.4494702849 0.4631208455 0.2151319938 -2.96185008 -7.80379701 -5.58102049 -1.47694564 -5.65455815 -9.15482045 -2.68627032 -2.09657312 2.09036442 -0.09288313 -2.74785049 -2.93027468 -0.53996516 0.16853752 -3.74359126 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 956-03-6 101925 170466009 A Meprylcaine hydrochloride Cl.CC(C)(COC(=O)c1ccccc1)NCCC Tox21_110489_1 -NCGC00160482-02 196716919 tox21-ror-cho-viability-p1 set2 4 -2.21750071 -2.87352479 -6.49931488 -1.60412494 1.71323727 -1.72985702 3.2775598 -2.96891495 -4.94649304 -1.92014594 -4.30645204 -6.08415804 -6.91608197 -1.84893568 2.02722649 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 152-47-6 9047 170465930 A Sulfalene COc2nccnc2NS(=O)(=O)c1ccc(N)cc1 Tox21_111844_1 -NCGC00016385-08 196717325 tox21-ror-cho-viability-p1 set2 4 0.0059557173 15.509106132 -15.009106132 0.5 0.5 0.8478999868 0.0024343684 -10.8154912 -11.67425511 -9.98486091 -3.80713903 -3.42284927 -5.98622557 -3.73306335 -3.32630364 0.0425999 -0.65907782 -0.64588369 -2.62658545 0.15032921 2.66825793 0.02536483 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127-71-9 5319 170465133 A Sulfabenzamide Nc1ccc(cc1)S(=O)(=O)NC(=O)c2ccccc2 Tox21_110410_1 -NCGC00091146-04 196717333 tox21-ror-cho-viability-p1 set2 4 19.3311819617 -20.096885212 4.5 -15.596885212 0.6999999999 0.8943085816 0.0004282091 4.875007 3.97326606 2.57295334 3.29115102 4.8937929 4.61362975 6.69608137 7.02159373 0.0662689 1.19081709 -1.59190641 -3.78625515 -4.34408889 -6.26910232 -12.16407101 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00259550-01 196706540 tox21-ror-cho-viability-p1 set1 4 2.92622888 1.30131336 1.35732211 5.19203385 3.12309977 3.17103422 1.66806617 0.26451785 -10.88010606 4.4154487 1.80313527 0.9036874 -1.19278443 -0.58360043 0.26068253 1.212E-9 2.71E-9 6.061E-9 1.3549999999E-8 3.03E-8 6.7759999999E-8 1.515E-7 3.388E-7 7.576E-7 0.0000016939999999 0.0000037879999999 0.00000847 0.00001894 0.00004235 0.0000947 104-46-1 7703 144209199 A Anethole COc1ccc(C=CC)cc1 Tox21_202001 -NCGC00259451-01 196706529 tox21-ror-cho-viability-p1 set1 4 -9.63425065 -7.23448517 -12.85311764 -11.59927913 -11.04663409 4.09290185 -7.31290102 -7.66236356 -9.23270468 -8.53601781 -15.98800355 -1.27710063 -14.48997143 -7.10154801 0.01716122 1.194E-9 2.67E-9 5.9699999999E-9 1.335E-8 2.985E-8 6.675E-8 1.4919999999E-7 3.337E-7 7.4619999999E-7 0.000001669 0.0000037309999999 0.000008343 0.00001866 0.00004172 0.00009328 919-31-3 13522 144209100 FC 3-(Triethoxysilyl)propionitrile CCO[Si](OCC)(OCC)CCC#N Tox21_201902 -NCGC00258908-01 196706536 tox21-ror-cho-viability-p1 set1 4 0.0217782031 7.2386140359 -5.2386140359 2 4.9549173134 0.3305055919 0.3389529393 -11.01344126 -3.35880219 3.96845827 -11.44884503 3.54196002 4.3901812 0.24621296 2.01055563 9.6080262 -3.96667314 1.0402834 -0.29028728 -0.58400984 2.87094429 1.38496449 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.397E-7 0.0000016539999999 0.0000036989999999 0.0000082699999999 0.000018489999999 0.00004135 0.00009247 1918-00-9 3030 144208554 A A Dicamba COc1c(c(Cl)ccc1Cl)C(=O)O Tox21_201356 -NCGC00259317-01 196706537 tox21-ror-cho-viability-p1 set1 4 -1.22766696 3.12768369 -2.28647761 3.97738577 3.25727424 5.33885156 2.8734212 3.2218711 0.08529179 9.66369431 0.40843453 4.51104102 4.76723974 2.69267293 2.38909568 1.194E-9 2.67E-9 5.9709999999E-9 1.335E-8 2.985E-8 6.676E-8 1.493E-7 3.338E-7 7.464E-7 0.000001669 0.000003732 0.000008345 0.00001866 0.00004172 0.00009329 90-12-0 7002 144208966 A Ac 1-Methylnaphthalene Cc2cccc1ccccc12 Tox21_201768 -NCGC00259902-01 196706943 tox21-ror-cho-viability-p1 set1 4 -3.86506607 -0.6088568 5.03640936 -2.30163918 3.31777497 0.15011233 1.64018969 0.19836362 -2.14959393 14.44160883 -7.1432883 -1.18414597 4.26041825 1.26412307 1.29239144 1.198E-9 2.68E-9 5.992E-9 1.34E-8 2.996E-8 6.6989999999E-8 1.4979999999E-7 3.35E-7 7.4899999999E-7 0.000001675 0.000003745 0.000008374 0.00001873 0.00004187 0.00009363 509-14-8 10509 144209551 Tetranitromethane O=[N+]([O-])C([N+]([O-])=O)([N+](=O)[O-])[N+]([O-])=O Tox21_202353 -NCGC00258941-01 196706962 tox21-ror-cho-viability-p1 set1 -2.4 61.3793157847 -37.408326144 3.11316162 -34.295164524 4.9549173134 0.7686500163 0.0143873824 2.4682447 2.16797045 2.92249945 0.27767845 5.58176532 1.97321985 2.29866244 -0.49323631 4.92397486 17.81316248 -0.41641853 -2.66933424 0.52225446 -1.39897462 -29.92360512 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.96E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 305-03-3 2708 144208588 A Fc Chlorambucil O=C(O)CCCc1ccc(cc1)N(CCCl)CCCl Tox21_201390 -NCGC00256726-01 196707609 tox21-ror-cho-viability-p1 set1 4 0.0024336516 -15.4128083281 -1.7414851999 -17.154293528 3.9294729863 0.3564975232 0.3294461057 -2.284571 -10.83276679 -17.60683687 -16.76050214 -18.66110299 -12.72130788 -22.58442145 -20.3960356 -21.87388312 -14.25168973 -10.51219059 -3.10322382 -22.32342923 -23.87857794 -33.14451873 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-17-5 7007 144212915 A A 2,2,2-Trichloro-1-phenylethyl acetate ClC(Cl)(Cl)C(OC(C)=O)c1ccccc1 Tox21_302598 -NCGC00256944-01 196707601 tox21-ror-cho-viability-p1 set1 4 -14.03845811 -2.62149532 -8.54379206 -9.77639176 2.76522634 -11.68530001 2.4920675 -9.34187596 1.42118438 -11.09057696 -1.98786596 -1.43154425 -8.93640277 -0.02353229 2.33142898 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-23-1 8840 144213584 A A Methyl 12-hydroxyoctadecanoate O=C(CCCCCCCCCCC(O)CCCCCC)OC Tox21_303267 -NCGC00257276-01 196707611 tox21-ror-cho-viability-p1 set1 4 -18.6247618 -15.780821 -22.04428671 -21.02205971 -22.13422998 -19.24357746 -12.54533012 -13.58085288 -15.93905391 -21.8081222 -25.67778939 -24.73297482 -24.27810779 -17.67873748 -16.42861594 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 25377-73-5 32933 144213732 A A 3-(Dodecenyl)dihydro-2,5-furandione O=C1OC(=O)CC1C=CCCCCCCCCCC Tox21_303421 -NCGC00257327-01 196708009 tox21-ror-cho-viability-p1 set1 4 -11.0800152 -14.41699139 -0.14181445 0.9338239 -10.41131279 0.97981914 -9.66393718 1.23016479 -7.17185103 -10.17926296 -15.47797258 -10.38255923 -13.61634909 -13.29926012 -6.0737904 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27247-96-7 62823 144213694 A Ac 2-Ethylhexyl nitrate O=[N+]([O-])OCC(CCCC)CC Tox21_303382 -NCGC00015872-08 196704287 tox21-ror-cho-viability-p1 set1 4 -1.24929092 0.65670122 0.39454654 0.73437511 2.04726773 -1.11951833 0.5224567 1.01440375 -3.15034496 0.11846027 -4.09526413 1.68901718 -0.84046828 1.3335365 0.07535344 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5786-68-5 5702242 170466093 A Quipazine maleate O=C(O)/C=C\C(=O)O.n1c3ccccc3ccc1N2CCNCC2 Tox21_110249_1 -NCGC00091278-03 196703874 tox21-ror-cho-viability-p1 set1 4 61.130564862 -22.7369099119 -1.5 -24.2369099119 1.8851180601 0.4408030734 0.2330084769 -5.96486623 -1.08544941 -1.26593184 3.20831566 -1.43949865 -11.72511156 0.80149643 -0.44407422 0.25307212 0.27683103 7.50299821 -11.02932345 -0.46677358 -9.11990158 -17.28075826 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00260126-01 196703879 tox21-ror-cho-viability-p1 set1 4 0.0094506979 -4.55520662 5 0.44479338 4.9549173134 0.3607703928 0.3127261582 3.12263406 4.36426551 4.24997354 8.36462461 -5.87933885 2.23800476 1.06367589 0.18750851 1.97997911 1.53912114 -2.7124866 -0.14791943 3.26333558 1.89513667 0.88541124 5.905E-10 1.32E-9 2.9529999999E-9 6.602E-9 1.476E-8 3.3009999999E-8 7.381E-8 1.651E-7 3.691E-7 8.253E-7 0.000001845 0.000004126 0.000009227 0.000020629999999 0.00004613 25327-89-3 61972 144209775 F Ac Tetrabromobisphenol A diallyl ether Brc1cc(cc(Br)c1OCC=C)C(C)(C)c2cc(Br)c(OCC=C)c(Br)c2 Tox21_202577 -NCGC00260064-01 196703889 tox21-ror-cho-viability-p1 set1 4 27.5561300424 -12.643700376 -1 -13.643700376 3.1319983358 0.768111738 0.0146749267 0.93318995 -2.27433829 0.40498453 0.60166117 -0.41710114 -3.0831616 -6.51849323 1.35142301 -2.51538788 0.85516149 1.6367445 -2.56163364 -2.56422014 -11.71750227 -13.03641698 1.189E-9 2.6589999999E-9 5.945E-9 1.3289999999E-8 2.973E-8 6.647E-8 1.486E-7 3.323E-7 7.4319999999E-7 0.000001662 0.000003716 0.000008309 0.000018579999999 0.00004154 0.00009289 149-91-7 370 144209713 A A Gallic acid Oc1cc(cc(O)c1O)C(=O)O Tox21_202515 -NCGC00160503-02 196704707 tox21-ror-cho-viability-p1 set1 4 2.17340025 -1.21890251 -1.69773228 0.47247547 -2.79030012 -3.39665344 -0.86917111 -1.27849243 1.11019561 1.28749717 -2.81030893 -0.68082446 -2.30531407 1.46368365 -2.88762672 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35619-65-9 65790 170466560 A Tritiozine S=C(c1cc(OC)c(OC)c(OC)c1)N2CCOCC2 Tox21_111860_1 -NCGC00015831-06 196704717 tox21-ror-cho-viability-p1 set1 4 -3.30249842 -1.1584056 -0.76278824 0.88330914 -2.13360636 -0.07967809 -1.14923828 -0.42599694 0.22474206 -0.02485759 -3.95665639 -0.67571794 0.38247276 -0.3053171 -0.37826908 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 132-20-7 25150753 170464902 C Pheniramine maleate [O-]C(=O)/C=C\C([O-])=O.C[NH+](C)CCC(c1ccccc1)c2[nH+]cccc2 Tox21_111188_1 -NCGC00164339-05 196705133 tox21-ror-cho-viability-p1 set1 4 6.37794533 0.03715155 0.84265188 2.71203107 1.93410223 0.41079135 1.40441509 -3.3327066 0.84460931 3.08098778 0.25778974 0.83387493 0.49949437 3.8141258 4.52385569 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 102-60-3 7615 170466358 Z N,N,N',N'-Tetrakis(2-Hydroxypropyl)ethylenediamine CC(O)CN(CC(C)O)CCN(CC(C)O)CC(C)O Tox21_112102_1 -NCGC00263540-01 196705143 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -13.473629928 0 -13.473629928 4.9549173134 0.7633592214 0.016078144 -0.48474678 -0.15214436 3.14852468 -1.0142085 -0.18770264 0.95638542 0.67711137 0.21131554 1.10057904 1.29134881 0.59834941 -0.22900618 -4.62539283 -0.78995743 -11.22802494 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 65576-45-6 3036780 170465569 A Asenapine Clc1cc3c(cc1)Oc2ccccc2[C@@H]4CN(C)C[C@@H]34 Tox21_113596_1 -NCGC00247701-01 196705537 tox21-ror-cho-viability-p1 set1 4 1.9376388 2.24643012 -3.2989876 1.74319257 0.88433547 -4.36495455 -3.61689307 -4.31718508 -4.32913713 -2.31690469 -1.78199021 1.00526924 1.2097001 1.45901393 -1.49367483 1.389E-9 3.105E-9 6.943E-9 1.552E-8 3.471E-8 7.7619999999E-8 1.736E-7 3.881E-7 8.678E-7 0.000001941 0.000004339 0.0000097029999999 0.0000217 0.000048509999999 0.0001085 74341-83-6 60196328 144206405 A D 1-(1,3-Benzodioxol-5-yl)-N-hydroxypropan-2-amine hydrochloride Cl.CC(NO)Cc1ccc2OCOc2c1 Tox21_112852 -NCGC00259090-01 196709644 tox21-ror-cho-viability-p1 set2 -1.1 30.6067041936 -76.7147718098 -2.256407323 -78.9711791328 4.0949729863 0.9868775566 4.1E-9 -0.30435874 -5.7073881 0.16675873 -4.82217499 -0.83747621 0.3024283 -3.35974183 -0.55841487 -2.6559386 -5.3991894 -1.4602266 -0.50853195 -16.8774599 -60.17317492 -82.26164493 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.00004119 0.000092099999999 17796-82-6 28777 144208738 A D N-(Cyclohexylthio)phthalimide O=C3c1ccccc1C(=O)N3SC2CCCCC2 Tox21_201540 -NCGC00259663-01 196709244 tox21-ror-cho-viability-p1 set2 4 22.1097086493 7.286443328 -3.786443328 3.5 4.9549173134 0.3927799365 0.280613701 -3.95408711 -4.64516447 -2.63759207 -6.90536944 -5.7583278 -3.07916609 2.4285793 -3.30694774 -6.653385 3.3836983 -6.46524399 -6.11692212 -1.26558934 3.32955447 3.10195521 1.1989999999E-9 2.68E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.701E-8 1.4979999999E-7 3.351E-7 7.492E-7 0.000001675 0.000003746 0.0000083759999999 0.00001873 0.00004188 0.00009365 603-35-0 11776 144209312 C Triphenylphosphine c1ccccc1P(c2ccccc2)c3ccccc3 Tox21_202114 -NCGC00259124-01 196709249 tox21-ror-cho-viability-p1 set2 4 0.68017409 -4.47467092 -7.97886739 -11.64942796 -1.661393 -1.94685893 1.4789162 -2.50956111 -1.25365106 -3.74867223 -1.65110334 -1.93871752 -3.86004202 -3.04206323 -2.70026666 1.1069999999E-9 2.474E-9 5.533E-9 1.237E-8 2.766E-8 6.186E-8 1.383E-7 3.093E-7 6.916E-7 0.0000015459999999 0.000003458 0.000007732 0.00001729 0.000038659999999 0.00008645 107-30-2 7864 144208773 BC Fns Chloromethyl methyl ether COCCl Tox21_201575 -NCGC00259674-01 196709250 tox21-ror-cho-viability-p1 set2 4 3.93917575 3.20455676 3.31589418 4.87005238 -1.77499465 -0.96761694 -0.40400245 4.76696276 -0.14867741 4.97985526 5.60805977 3.99043952 6.29967489 6.04560214 4.87943452 1.182E-9 2.644E-9 5.9109999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.305E-7 7.3889999999E-7 0.0000016519999999 0.0000036949999999 0.000008261 0.000018469999999 0.00004131 0.000092359999999 121-32-4 8467 144209323 A A 3-Ethoxy-4-hydroxybenzaldehyde CCOc1cc(ccc1O)C=O Tox21_202125 -NCGC00258439-01 196730029 tox21-ror-cho-viability-p1 set3 4 9.7378262331 9.646161156 0.853838844 10.5 4.9549173134 0.6807324805 0.0576773658 -2.09619677 2.08934819 3.65329718 0.72372874 -1.06833887 3.52029518 0.07677624 0.73355876 3.55100265 -1.02885589 -3.03846763 3.35375909 13.89928382 7.52040306 3.36128759 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.311E-7 7.405E-7 0.000001656 0.000003702 0.000008279 0.00001851 0.00004139 0.00009256 2210-79-9 16640 144208083 A A o-Cresyl glycidyl ether Cc2ccccc2OCC1CO1 Tox21_200885 -NCGC00258419-01 196730013 tox21-ror-cho-viability-p1 set3 4 -1.2962125 -4.3698459 -5.5283498 -5.09020526 -3.99161585 -3.21181446 -2.89286955 -2.28082718 -3.91987648 -4.41250654 -4.79846395 0.01610127 1.08608572 -1.91351004 3.72414999 1.206E-9 2.6959999999E-9 6.029E-9 1.348E-8 3.014E-8 6.74E-8 1.507E-7 3.37E-7 7.536E-7 0.000001685 0.0000037679999999 0.000008425 0.00001884 0.00004213 0.0000942 109-69-3 8005 144208063 FNS 1-Chlorobutane CCCCCl Tox21_200865 -NCGC00257672-01 196730018 tox21-ror-cho-viability-p1 set3 4 -3.09645298 0.33370199 0.06021888 -1.14936228 -2.11863473 -3.11801497 -0.99835778 0.5073843 3.37118247 -0.72605529 0.59776998 1.50282922 0.422629 3.60435714 -0.81409112 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.6E-8 1.476E-7 3.3E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.00004125 0.000092239999999 61755-34-8 11499271 144207316 A A 1-(2-Hydroxyethyl)-3-methylimidazolium chloride [Cl-].C[n+]1ccn(CCO)c1 Tox21_200118 -NCGC00258560-01 196730025 tox21-ror-cho-viability-p1 set3 4 0.70029701 0.26474917 0.9487132 0.46777636 0.79753848 -0.15725328 1.88439007 1.08539914 0.82338826 10.48753354 1.49120964 2.69423398 3.07142823 -2.13246025 1.77623798 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.65E-8 1.487E-7 3.325E-7 7.435E-7 0.000001663 0.000003718 0.000008313 0.00001859 0.00004156 0.000092939999999 1074-82-4 3356745 144208205 D Potassium 1,3-dioxo-1,3-dihydroisoindol-2-ide [K+].O=C1[N-]C(=O)c2ccccc12 Tox21_201007 -NCGC00258639-01 196730426 tox21-ror-cho-viability-p1 set3 4 1.82435393 3.68413011 0.54782216 0.54938999 -0.60171669 2.44799089 1.22117798 -0.53442413 2.46460256 3.24239992 0.60996707 1.54454437 -1.79452783 -0.01176219 -2.46859307 1.2069999999E-9 2.6979999999E-9 6.034E-9 1.349E-8 3.017E-8 6.746E-8 1.5079999999E-7 3.373E-7 7.5419999999E-7 0.000001687 0.0000037709999999 0.0000084329999999 0.00001886 0.000042159999999 0.00009428 110-82-7 8078 144208285 FNS Cyclohexane C1CCCCC1 Tox21_201087 -NCGC00257961-01 196730436 tox21-ror-cho-viability-p1 set3 -3 61.1927368097 -47.3697363116 0.250705462 -47.1190308496 4.0449729863 0.9734966418 2.403E-7 0.01667638 3.0088311 -2.07845363 -1.84535637 0.0857043 -0.75534871 -2.24324536 -0.59183034 0.66705644 2.89026462 2.02418913 2.03837878 1.22507199 -7.73695517 -39.48411428 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.953E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008253 0.000018449999999 0.00004127 0.00009227 7783-00-8 1091 144207605 Fns Selenious acid O=[Se](O)O Tox21_200407 -NCGC00259455-01 196721426 tox21-ror-cho-viability-p1 set3 4 6.8938530308 -17.117123292 -5.028581836 -22.145705128 0.7 0.5954091813 0.1003954315 -9.32323804 -14.05042544 -3.80916389 -0.85715153 -6.78918582 -7.66251285 -7.09937403 -5.71279063 -9.23850506 -3.70431875 -12.12330355 -16.51904465 -21.37142094 -14.63514203 -19.72791483 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.625E-8 1.481E-7 3.3129999999E-7 7.407E-7 0.000001656 0.000003704 0.000008281 0.00001852 0.000041409999999 0.000092589999999 612-83-9 11933 144209104 A A 3,3'-Dichlorobenzidine dihydrochloride Cl.Cl.Nc1ccc(cc1Cl)c2ccc(N)c(Cl)c2 Tox21_201906 -NCGC00254782-01 196720625 tox21-ror-cho-viability-p1 set3 -1.1 1.3685428777 -109.5680744767 11.61989648 -97.9481779967 3.0654483358 0.9912312755 4E-10 22.85365774 4.72235855 13.78837512 10.82560972 13.1487305 2.67697067 13.98753888 8.10025065 -0.84916058 -55.67421716 -97.95153758 -97.75050367 -97.13070825 -99.46104205 -93.2749913 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-56-1 7511 144211195 A Phenylmercuric chloride Cl[Hg]c1ccccc1 Tox21_300878 -NCGC00163919-02 196720627 tox21-ror-cho-viability-p1 set3 4 78.7623658459 -16.736995432 -0.5 -17.236995432 3.6772481694 0.3064842088 0.362043355 -1.69711987 -1.90674453 -0.30580635 -0.00994425 7.99338547 -13.11416286 1.53231822 2.0789154 -0.23524608 0.83129153 2.35482216 -1.24460263 -1.1422752 -1.94075966 -11.35442994 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00259495-01 196721046 tox21-ror-cho-viability-p1 set3 4 5.4593504274 -6.940715 -0.5 -7.440715 4.9549173134 0.3723364105 0.2992985382 -5.91168834 -1.62847349 -6.04915308 -0.14136174 0.6246788 2.49849134 2.27739153 2.58969222 -0.5435932 -5.25505353 4.32837478 -12.8672625 -8.39246163 -3.13291527 -5.77719993 1.182E-9 2.6429999999E-9 5.91E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.304E-7 7.387E-7 0.0000016519999999 0.0000036939999999 0.000008259 0.000018469999999 0.000041299999999 0.00009234 156-43-4 9076 144209144 A A 4-Ethoxyaniline CCOc1ccc(N)cc1 Tox21_201946 -NCGC00259351-01 196721434 tox21-ror-cho-viability-p1 set3 4 -4.55966446 -2.43575192 -2.6863852 -1.86067315 -0.36843985 -5.82044015 -14.26598207 -4.00787735 -5.82046532 -1.60874357 -5.66100081 -1.21464987 -4.694878 -0.81409644 1.36625747 1.149E-9 2.569E-9 5.743E-9 1.284E-8 2.872E-8 6.421E-8 1.436E-7 3.211E-7 7.1789999999E-7 0.0000016049999999 0.0000035899999999 0.000008027 0.00001795 0.00004013 0.000089739999999 24549-06-2 32485 144209000 A B 2-Ethyl-6-methylaniline CCc1cccc(C)c1N Tox21_201802 -NCGC00259768-01 196721441 tox21-ror-cho-viability-p1 set3 4 24.1633761507 -32.792719516 -4.640951368 -37.433670884 0.3 0.4196794168 0.269570606 -9.91204983 -7.31990091 -5.25518502 -0.53412614 -14.1912407 -7.97729573 -15.88544847 -20.93212953 -5.80191741 -5.63791931 -21.01944049 -18.17560975 -13.26630829 -29.52805907 15.36195724 1.173E-9 2.624E-9 5.867E-9 1.312E-8 2.934E-8 6.56E-8 1.4669999999E-7 3.28E-7 7.334E-7 0.0000016399999999 0.000003667 0.0000082 0.00001834 0.000041 0.00009168 77-09-8 4764 144209417 F Phenolphthalein Oc1ccc(cc1)C3(OC(=O)c2ccccc23)c4ccc(O)cc4 Tox21_202219 -NCGC00259348-01 196721828 tox21-ror-cho-viability-p1 set3 4 31.0745746132 8.5827383839 -3.5827383839 5 4.9549173134 0.569134428 0.1214189763 -6.73561532 -5.23390822 -3.63807242 2.45123957 -0.93087027 -3.47676871 -4.07987839 -3.20499691 -3.98343688 -2.51417156 -6.34230247 -4.45684884 -5.76400647 5.65025105 3.3230154 1.194E-9 2.67E-9 5.9699999999E-9 1.335E-8 2.985E-8 6.675E-8 1.493E-7 3.337E-7 7.463E-7 0.000001669 0.0000037309999999 0.0000083439999999 0.00001866 0.00004172 0.00009329 111-88-6 8144 144208997 A Fns 1-Octanethiol CCCCCCCCS Tox21_201799 -NCGC00260004-01 196721829 tox21-ror-cho-viability-p1 set3 4 -6.40381066 -0.45664824 -2.8149206 -8.79334277 1.35471203 -8.71584051 -1.42927016 -4.83218461 -0.09400558 -7.28676462 -3.85558371 -6.98722971 -5.00169408 -2.8698366 -3.51959299 1.197E-9 2.677E-9 5.9849999999E-9 1.338E-8 2.993E-8 6.6919999999E-8 1.496E-7 3.346E-7 7.482E-7 0.000001673 0.000003741 0.000008365 0.000018699999999 0.000041819999999 0.000093519999999 50-21-5 612 144209653 B A Lactic acid O=C(O)C(C)O Tox21_202455 -NCGC00259612-01 196721834 tox21-ror-cho-viability-p1 set3 4 -9.26374082 -5.28660874 -4.51254358 -1.17555462 2.76972307 -2.78305024 -5.37641041 -4.22688312 -6.50900676 -0.05967079 -4.26747997 -5.12123401 -6.27505812 -5.21205638 -9.56270076 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 93-46-9 7142 144209261 A A N,N'-Di-2-naphthyl-p-phenylenediamine c1cc5ccccc5cc1Nc2ccc(cc2)Nc3cc4ccccc4cc3 Tox21_202063 -NCGC00259256-01 196721835 tox21-ror-cho-viability-p1 set3 4 31.1058079573 13.2941279199 -4.2941279199 9 4.9549173134 0.5416366965 0.1425176976 -4.08531767 -1.98280267 1.2457265 6.80907399 -8.493318 -7.20727335 -8.5674581 -7.40343041 -8.9951066 -2.69369229 -5.66308853 -3.59689777 -6.2410932 7.7051297 9.89438686 1.195E-9 2.671E-9 5.973E-9 1.336E-8 2.987E-8 6.678E-8 1.493E-7 3.3389999999E-7 7.467E-7 0.0000016699999999 0.000003733 0.000008348 0.00001867 0.00004174 0.000093329999999 95-94-3 7270 144208905 A Ac 1,2,4,5-Tetrachlorobenzene Clc1cc(Cl)c(Cl)cc1Cl Tox21_201707 -NCGC00259230-01 196721839 tox21-ror-cho-viability-p1 set3 -2.2 33.9920544223 -38.6192941523 -1.85747913 -40.4767732823 1.21 0.8565196186 0.0018362282 -4.35962433 -3.00440739 3.83577361 6.09629752 -2.94171977 -3.30838163 -5.48570589 -3.57950909 -5.00799126 -2.62778616 -4.88951596 -11.91412087 -13.10924986 -17.86537896 -37.47849378 1.1689999999E-9 2.614E-9 5.8459999999E-9 1.3069999999E-8 2.9229999999E-8 6.536E-8 1.461E-7 3.268E-7 7.3069999999E-7 0.0000016339999999 0.0000036539999999 0.00000817 0.00001827 0.00004085 0.00009134 82-28-0 6702 144208879 A A 1-Amino-2-methylanthraquinone O=C3c1ccccc1C(=O)c2c3ccc(C)c2N Tox21_201681 -NCGC00256466-01 196718538 tox21-ror-cho-viability-p1 set2 4 -1.44041945 0.51827208 -0.54382858 -0.56871756 0.98478393 -1.44910452 -1.1727848 -4.04918348 0.46024865 -0.46893796 -0.96637335 3.61453315 1.36333754 5.12540198 5.60462035 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-03-2 7903 144213341 Fns 1-Nitropropane [O-][N+](=O)CCC Tox21_303024 -NCGC00094881-07 196725325 tox21-ror-cho-viability-p1 set3 4 1.4960085492 -12.527757304 2.5 -10.027757304 0.4 0.4371741422 0.2544677779 -1.71490886 -1.16589654 10.16739968 -0.6401727 1.92091916 -0.82084738 -1.31618126 -0.32572585 -2.68652611 -5.43985913 -5.14309004 0.63915459 -6.74864008 -8.35646442 -2.33864394 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 65513-72-6 3085326 170465943 I Glafenine hydrochloride Cl.OCC(O)COC(=O)c3ccccc3Nc1ccnc2cc(Cl)ccc12 Tox21_110678_1 -NCGC00090764-04 196725328 tox21-ror-cho-viability-p1 set3 4 -4.81108469 -6.08501251 -2.1362215 -0.28218989 0.04246737 -6.03387489 -1.59255925 -4.55010981 -12.59258307 -3.35362476 -5.21082901 -2.92581281 -4.13186434 0.31761482 0.01255001 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21245-02-3 30541 170465499 A 2-Ethylhexyl 4-(dimethylamino)benzoate CN(C)c1ccc(cc1)C(=O)OCC(CC)CCCC Tox21_111013_1 -NCGC00260154-01 196724919 tox21-ror-cho-viability-p1 set3 -2.4 68.4501412252 -34.931499384 1 -33.931499384 4.9549173134 0.9039981455 0.0002634337 -0.16518718 2.54698581 -1.22756624 -1.912818 1.28683678 4.15637246 0.77152682 -2.1358766 -1.55811326 0.78268213 2.83238806 -2.15128547 3.9774755 1.97564718 -27.85958282 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.365E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.00004117 0.00009206 24140-30-5 5702746 144209804 F C (+)-2-Methylbutyl-4-methoxybenzyladine-4'-aminocyannate COc2ccc(/C=N/c1ccc(/C=C/C(=O)OC[C@@H](C)CC)cc1)cc2 Tox21_202606 -NCGC00016954-10 196725319 tox21-ror-cho-viability-p1 set3 4 0.0007497804 -12.5180876519 2 -10.5180876519 4.9549173134 0.5650985585 0.1247227271 0 -13.66264092 -8.73638739 -9.24973093 -7.67917119 -11.09345544 -9.31620955 -8.98814328 -14.09979121 -15.43173971 -9.29117801 -8.83776702 -11.37813057 -12.38377846 -10.02044655 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 85798-08-9 55397 170466501 I (-)-Quinpirole hydrochloride Cl.CCCN1CCC[C@@H]2Cc3nncc3C[C@@H]12 Tox21_110707_1 -NCGC00179496-04 196725329 tox21-ror-cho-viability-p1 set3 4 0.0668242473 5.8004286719 -0.8004286719 5 4.9549173134 0.3430003509 0.342960608 1.96897308 -3.58369056 -3.24744593 -0.13032525 -0.52719075 0.26151315 1.97590335 14.4526587 10.58896211 6.1480127 2.33964323 0.17847538 -1.38592475 3.40317899 -0.39132154 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 965-52-6 13764 170466382 A Nifuroxazide O=[N+]([O-])c2ccc(\C=N/NC(=O)c1ccc(O)cc1)o2 Tox21_110491_1 -NCGC00167737-02 196725339 tox21-ror-cho-viability-p1 set3 4 -4.27364115 -10.41427638 -3.52049037 -5.36493703 -4.2418736 3.77513761 2.16237168 -6.89203849 -1.4298262 0.47542654 3.87605234 -6.67277029 -7.52345108 2.84105607 3.13760328 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103878-83-7 163727 170466038 A Lazabemide hydrochloride Cl.Clc1cnc(cc1)C(=O)NCCN Tox21_112582_1 -NCGC00016764-04 196725340 tox21-ror-cho-viability-p1 set3 4 0.149600855 16.241551516 0.258448484 16.5 0.5 0.5225396444 0.1586621096 3.40230041 2.38828528 -6.45129293 7.46816002 -3.37415202 9.05768755 -5.40376374 8.88541121 7.42596352 5.15923922 9.35037756 11.19937066 10.95054004 10.80020647 16.13482308 5.899E-11 1.319E-10 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 22457-89-2 2320 170465987 A Benfotiamine Nc2nc(C)ncc2CN(C=O)C(C)=C(CCOP(=O)(O)O)SC(=O)c1ccccc1 Tox21_110597_1 -NCGC00167456-02 196725745 tox21-ror-cho-viability-p1 set3 4 3.69855754 0.05386712 2.36083128 1.59475379 1.55262622 -0.2930544 -8.38563901 -6.25490532 -7.44317166 2.10615555 1.33526317 2.04908434 1.18271133 -0.51780199 1.52175055 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3286-46-2 20055424 170466019 A Bisibutiamine Nc2nc(C)ncc2CN(C=O)C(/C)=C(/CCOC(=O)C(C)C)SSC(/CCOC(=O)C(C)C)=C(/C)N(C=O)Cc1cnc(C)nc1N Tox21_112460_1 -NCGC00091632-02 196725753 tox21-ror-cho-viability-p1 set3 4 13.6854287769 -14.3934916999 0 -14.3934916999 2.3331733767 0.6495130658 0.0644863907 3.20758154 1.90406383 -11.6816859 -1.37020271 -3.07632523 1.73412423 2.53493565 -0.59505477 3.18088723 3.09776256 -1.12997952 -2.02799029 -10.44746841 -12.92602128 -14.07790975 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00015163-09 196725756 tox21-ror-cho-viability-p1 set3 4 29.8492948118 -24.781260032 -2 -26.781260032 0.9999999999 0.5263156308 0.1554663975 -6.49771199 0 4.73820704 4.69826938 -3.24119603 -9.69694999 -7.31649779 2.97683745 -1.90309878 -1.23825009 -3.8839382 -9.1814107 -5.79498308 -9.16753973 -18.98438336 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14919-77-8 26964 170465804 Z Benserazide Cl.Oc1ccc(CNNC(=O)C(N)CO)c(O)c1O Tox21_110573_1 -NCGC00015242-13 196726167 tox21-ror-cho-viability-p1 set3 2.4 2.6603212004 19.24074096 1.25925904 20.5 0.6 0.7858923469 0.0105796409 -2.2839508 -1.34281071 5.18558204 6.62364136 3.61507346 0.54655667 6.11100573 2.90402129 5.6706813 5.36377363 7.2096869 17.59242855 12.29135629 17.27760458 16.53514937 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-94-6 2720 170465303 A Chlorothiazide NS(=O)(=O)c2cc1c(N=CNS1(=O)=O)cc2Cl Tox21_110107_1 -NCGC00257280-01 196726573 tox21-ror-cho-viability-p1 set3 4 7.54624488 0.0808715 -1.59525436 -1.51553968 -0.24752972 0.97269486 -0.66217799 -22.77433723 -13.90684113 0 -1.39344218 -0.09797065 -0.06642552 1.91585268 2.11957526 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 79098-20-7 2757748 144213783 A Ac 4-Chloropentylbenzene Clc1ccc(CCCCC)cc1 Tox21_303473 -NCGC00094754-05 196713335 tox21-ror-cho-viability-p1 set2 4 -0.72863731 0.30582116 -1.4453903 7.33698882 0.59883579 -0.29199195 2.56018085 0.43798034 7.15440864 0.79885864 8.08971212 0.00522466 1.26701872 1.197407 -0.62631111 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63-98-9 4753 170465322 A Phenacemide O=C(Cc1ccccc1)NC(N)=O Tox21_111325_1 -NCGC00015603-08 196712925 tox21-ror-cho-viability-p1 set2 1.1 13.3331902297 80.6847972325 0.6206105529 81.3054077854 3.0654483358 0.9475836385 0.0000108686 1.78649866 1.0216381 0.69865268 1.47077915 -1.52619958 1.7972559 1.02231327 -1.4746401 -1.6128472 -2.22424358 2.09180201 13.5614527 10.65628068 79.87872793 72.94471303 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98079-52-8 68624 170465262 A Lomefloxacin hydrochloride Cl.O=C(O)C2=CN(CC)c1c(F)c(c(F)cc1C2=O)N3CC(C)NCC3 Tox21_110716_1 -NCGC00093354-05 196712928 tox21-ror-cho-viability-p1 set2 4 2.3710137656 -8.603549876 -1 -9.603549876 4.9549173134 0.7285166094 0.0268410611 -0.8134733 -0.87221383 -3.83959334 -2.33564565 2.18162424 -2.00861578 0.57259092 -2.52220958 -0.82950025 -2.50271665 -1.70047475 -12.23400766 -5.96506276 -13.00295823 -6.85856557 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98-92-0 936 170464905 A Niacinamide NC(=O)c1cccnc1 Tox21_111202_1 -NCGC00262933-01 196712939 tox21-ror-cho-viability-p1 set2 4 10.5909294584 -20.676962728 2 -18.676962728 0.6999999999 0.8250501825 0.0045131341 3.47659983 2.09563535 4.42976108 0.79915137 -0.02323623 2.52766948 1.34415036 0.49219638 -4.34657292 1.30963088 0.72412929 -9.61540777 -5.42725384 -10.74318675 -13.89746894 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2144-08-3 75064 170466775 A A 2,3,4-Trihydroxybenzaldehyde Oc1ccc(C=O)c(O)c1O Tox21_113928 -NCGC00167471-02 196713347 tox21-ror-cho-viability-p1 set2 4 1.7081833 -0.61154986 1.453033 1.93526495 0.31779102 -0.9667288 2.1621385 1.73799929 0.51257787 1.75865653 -0.56266665 -1.42939497 1.67941928 -0.71668506 -7.64072664 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 532-11-6 2194 170465669 F Anethole trithione COc1ccc(cc1)C2=CC(=S)SS2 Tox21_112475_1 -NCGC00090701-06 196713348 tox21-ror-cho-viability-p1 set2 4 -5.08723509 -5.32120264 -5.0387099 -5.32789322 -3.6023432 -8.57100338 -2.37019318 -0.88614121 -1.54996181 -0.1082154 0.70867359 -2.33620075 1.37363297 1.23109736 -1.88697073 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00073457-04 196713358 tox21-ror-cho-viability-p1 set2 4 1.41092437 2.4316156 -6.29961117 0.81965869 -0.05239841 -1.48234883 1.1164745 1.25737873 -0.86469053 -2.60022515 -6.96109243 -1.19539385 -4.9077871 0.39625256 1.06643342 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35944-74-2 118264 170466159 A Metomidate hydrochloride Cl.CC(c1ccccc1)n2cncc2C(=O)OC Tox21_110988_1 -NCGC00094689-06 196713360 tox21-ror-cho-viability-p1 set2 4 3.10446722 1.18148914 -0.53287608 0.54397992 -1.00588379 4.19492631 3.64853466 3.45922302 -1.41003464 3.1213499 2.6495379 -0.04362593 -1.0418352 0.66165042 -1.56962843 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 93-14-1 3516 170464855 Ac Guaifenesin OCC(O)COc1ccccc1OC Tox21_110389_1 -NCGC00090885-03 196713752 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -19.403125132 0.5 -18.903125132 4.9549173134 0.7741195513 0.0132165151 0.97270488 -0.20198208 3.53396707 4.19960317 -2.19985817 -2.14555114 -1.60469384 3.9624839 -1.79473725 -1.66937571 1.91984685 -0.23524216 0.9406128 -0.22418434 -15.33593761 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00016066-14 196713757 tox21-ror-cho-viability-p1 set2 4 3.12363716 4.00450878 4.13808798 4.0457689 1.53564992 2.36197831 1.45499317 0.14560531 0.09839542 1.73616239 0.48087817 -0.39029906 0.0969349 -0.49325476 3.67530923 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64887-14-5 167980 170466013 A Urapidil hydrochloride Cl.COc3ccccc3N2CCN(CCCNC1=CC(=O)N(C)C(=O)N1C)CC2 Tox21_111286_1 -NCGC00159320-04 196713763 tox21-ror-cho-viability-p1 set2 4 -0.14368499 -0.4969321 -1.3477053 2.23736442 2.90118354 1.6210002 2.22580804 0.32230397 1.97414933 -0.09198303 1.72486267 1.84959654 0.77733503 5.51327547 1.62518236 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67-78-7 6216 170464837 A Triamcinolone diacetate CC(=O)OCC(=O)[C@@]3(O)[C@@H](C[C@H]2[C@@H]4CCC1=CC(=O)C=C[C@]1(C)[C@@]4(F)[C@@H](O)C[C@@]23C)OC(C)=O Tox21_113119_1 -NCGC00015856-10 196713774 tox21-ror-cho-viability-p1 set2 4 -1.02554912 6.15182256 1.14480144 -1.60456642 -0.25442128 5.25236479 5.18841568 -2.33990789 6.08244854 -2.90444233 5.25148424 0.14066644 5.25230277 -1.63517619 4.28712831 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84-02-6 5281032 170464761 A Prochlorperazine dimaleate O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O.CN1CCN(CC1)CCCN2c4ccccc4Sc3ccc(Cl)cc23 Tox21_113522_1 -NCGC00260283-01 196711704 tox21-ror-cho-viability-p1 set2 4 0.0367002466 -10.0292385559 -4.250456348 -14.2796949039 1.0999999999 0.3427387818 0.3422418247 -5.8621749 -3.12538029 -3.19649617 -5.80966755 -3.61671696 -13.6118376 -3.41379186 -13.16447848 -8.89722881 -21.14519634 -13.82268226 -6.54463097 -27.31641242 -5.78180226 -4.20445113 2.955E-10 6.6069999999E-10 1.477E-9 3.303E-9 7.387E-9 1.652E-8 3.6929999999E-8 8.258E-8 1.847E-7 4.1289999999E-7 9.233E-7 0.0000020649999999 0.000004617 0.00001032 0.000023079999999 137-40-6 2723816 144209933 A Sodium propionate [Na+].[O-]C(=O)CC Tox21_202735 -NCGC00163953-03 196698078 tox21-ror-cho-viability-p1 set1 -3 61.130564862 -56.5059384119 3.3098400879 -53.196098324 4.0449729863 0.9470128258 0.0000115504 3.8236745 5.03808559 8.21277788 2.20132682 9.79004949 4.6092238 0.09541303 6.27125216 0.38775801 0.39195895 0.42961608 1.72297905 2.43107249 -6.12529347 -44.01314875 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00016384-15 196697674 tox21-ror-cho-viability-p1 set1 4 -0.3755376 -0.28888832 2.52160525 2.64007368 5.99139395 -0.15563719 2.63281362 2.62613046 3.43156376 3.56437099 6.93907844 5.26256112 -0.59780809 2.74975475 3.78104587 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127-69-5 5344 170464636 A Sulfisoxazole Cc2c(NS(=O)(=O)c1ccc(N)cc1)onc2C Tox21_110409_1 -NCGC00164493-02 196698083 tox21-ror-cho-viability-p1 set1 -1.1 0.1031833745 -68.9600193549 0.04815754 -68.9118618149 4.4494702849 0.979700226 5.17E-8 -0.34912031 0.68404283 -0.95426416 0.1458475 -0.00191321 -0.35813967 0.6053333 -16.14754494 -64.67894516 -62.42173579 -61.99496758 -65.9649023 -67.30758263 -72.70582535 -83.83438177 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 3696-28-4 3109 170465699 A Dipyrithione [O-][n+]2ccccc2SSc1cccc[n+]1[O-] Tox21_112131_1 -NCGC00161393-04 196698089 tox21-ror-cho-viability-p1 set1 4 -1.96939842 -1.84953071 -2.97948196 -0.3253941 -0.83990051 0.70226309 -3.38244515 -0.42803372 -3.71151343 -0.0666308 -0.80110648 0.40828062 0.03101513 2.44737002 -0.9383273 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97612-24-3 6917728 170466591 A Eticlopride hydrochloride Cl.CCN2CCC[C@H]2CNC(=O)c1c(O)c(CC)cc(Cl)c1OC Tox21_111229_1 -NCGC00274069-01 196698092 tox21-ror-cho-viability-p1 set1 4 0.86417071 -0.32563225 -0.55023868 0.23675587 -0.52938231 -0.16388765 0.84254717 0.5567891 -1.13136087 1.04976173 -0.93328803 -0.26029942 -0.51026817 -1.83189461 -1.23010629 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62-90-8 229455 170465193 A Nandrolone phenpropionate O=C5CC[C@H]4C(CC[C@@H]2[C@@H]4CC[C@]3(C)[C@@H](OC(=O)CCc1ccccc1)CC[C@@H]23)=C5 Tox21_113342_1 -NCGC00163927-04 196698496 tox21-ror-cho-viability-p1 set1 4 1.64238554 4.17704748 2.29062422 1.00635224 4.5905253 5.90252889 1.5526599 2.92734149 0.065825 0.56191474 2.79344951 2.90413692 0.94948205 1.54705185 3.74667884 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00091902-08 196698503 tox21-ror-cho-viability-p1 set1 4 -2.61225532 -0.17168448 -2.11105874 -1.34805133 -2.01977524 0.61492893 -2.20858245 -0.43877984 1.26138906 0 1.94641542 0.09794906 0.59630197 -1.91810599 -0.15640184 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00016809-07 196698506 tox21-ror-cho-viability-p1 set1 4 -0.93226535 -2.23611245 -0.52250505 -0.77544291 -1.77600754 -3.5122231 -2.39324912 -4.09902488 -0.27357808 -0.2524158 -2.90832335 -0.71276156 -1.31433745 -1.45916771 0.89917617 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 29560-58-5 34632 170465141 A Moricizine hydrochloride Cl.O=C(OCC)Nc1cc2N(c3ccccc3Sc2cc1)C(=O)CCN4CCOCC4 Tox21_110622_1 -NCGC00254576-01 196698909 tox21-ror-cho-viability-p1 set1 4 61.130564862 -18.137063076 1 -17.137063076 4.9549173134 0.8663525105 0.0013369781 -0.8176766 -1.17396395 0.22834463 0.48587285 1.48042832 0.27301708 0.30056957 -0.32589525 1.96187706 0.21985957 5.42296909 0.80195795 2.95539256 -1.32944981 -15.11421923 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19666-30-9 29732 144210985 A A Oxadiazon O=C2OC(=NN2c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C Tox21_300668 -NCGC00163168-03 196722600 tox21-ror-cho-viability-p1 set3 4 -0.85845022 -1.64844314 -10.89131758 -0.97062549 -19.16502838 -0.48193037 -0.92171631 0 1.11228326 -1.87323952 2.2238031 -4.1092975 -11.00751109 -6.5409345 3.36439369 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64795-35-3 68848 170466174 A Mesulergine CN(C)S(=O)(=O)N[C@H]2C[C@@H]3c4cccc1c4c(cn1C)C[C@H]3N(C)C2 Tox21_112023_1 -NCGC00253650-01 196722590 tox21-ror-cho-viability-p1 set3 -1.1 2.6603212004 -95.2381721279 1.2058182889 -94.032353839 1.692447691 0.9913600694 3E-10 4.0971526 0.08915795 2.26446335 3.26850083 3.7495423 0.11150207 -3.17275281 -0.12334008 1.50851292 -17.48666595 -27.09520731 -64.00129063 -87.02329787 -93.84466451 -87.95678418 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7724-76-7 24405 170466472 A A Riboprine C/C(C)=C\CNc3ncnc1c3ncn1[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O Tox21_113776 -NCGC00167808-02 196722593 tox21-ror-cho-viability-p1 set3 4 0.6682424727 -10.3767109681 -2.5012874519 -12.87799842 1.21 0.72222843 0.0365987969 -1.80388121 -4.4265909 -5.49674602 -2.08622502 -2.3703054 -0.83440621 -3.35918656 -1.6764957 -4.06280606 -13.46489012 -8.44618997 -9.12079024 -16.98166535 -10.69392533 -5.77510015 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127625-29-0 60785 170466120 A Fananserin Fc1ccc(cc1)N2CCN(CC2)CCCN5c4cccc3cccc(c34)S5(=O)=O Tox21_112587_1 -NCGC00167576-02 196722597 tox21-ror-cho-viability-p1 set3 2.4 26.6032120037 28.486091292 -2.486091292 26 4.9549173134 0.9675198264 7.664E-7 -2.26283159 -1.05779334 -0.76165255 -2.42205705 -1.84356216 -3.72856301 -3.84331643 -2.02476795 -3.78225932 -4.98840941 -4.20799508 -0.8310612 -2.55855948 3.42229181 24.13737338 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33237-74-0 71413 170465842 A Aprindine hydrochloride Cl.CCN(CC)CCCN(c1ccccc1)C2Cc3ccccc3C2 Tox21_112569_1 -NCGC00257989-01 196730143 tox21-ror-cho-viability-p1 set3 4 0.53598663 3.74679911 -3.07110029 2.10745233 -1.36840338 0.90505798 1.93788467 -1.82373082 0.86620779 1.4029788 -0.18886262 3.92139227 1.95403273 2.31181639 -0.21952905 1.149E-9 2.569E-9 5.7449999999E-9 1.285E-8 2.872E-8 6.4229999999E-8 1.436E-7 3.212E-7 7.181E-7 0.000001606 0.000003591 0.0000080289999999 0.00001795 0.00004014 0.00008976 107-39-1 7868 144207633 FNS 2,4,4-Trimethyl-1-pentene C=C(C)CC(C)(C)C Tox21_200435 -NCGC00091775-03 196728905 tox21-ror-cho-viability-p1 set3 -2.4 24.3365162115 -25.7719877879 0.5 -25.2719877879 2.9522712143 0.7046795138 0.0359906129 -12.6466716 -1.28124364 4.0037456 3.71610694 -4.70333419 -1.79896605 7.83630089 6.80209731 5.50802576 3.53644714 -5.15287959 0.32262697 -8.68859282 -19.40620897 -25.22665649 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00257755-01 196729319 tox21-ror-cho-viability-p1 set3 4 30.6690184797 7.39892502 -3.39892502 4 2.4063783767 0.5373628106 0.1486817929 -2.33924704 -6.3440556 -7.41577085 -2.82148931 -3.60091407 -0.32846049 0.12878619 -2.93876985 -4.22869288 -2.60411097 -5.33635832 -2.01274921 -2.16307992 1.89501162 3.44778725 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.000041259999999 0.000092249999999 13506-76-8 16097 144207399 A A 2-Methyl-6-nitrobenzoic acid O=[N+]([O-])c1cccc(C)c1C(=O)O Tox21_200201 -NCGC00258059-01 196730135 tox21-ror-cho-viability-p1 set3 4 -3.96250365 0.47762362 -0.68774537 0.3612934 -0.42374785 1.39985594 -0.33447818 0.42468433 -2.44785602 0.02261777 -2.5593474 0.00918123 0.35164574 0.41316993 4.59769869 1.198E-9 2.6779999999E-9 5.989E-9 1.339E-8 2.994E-8 6.6949999999E-8 1.497E-7 3.3479999999E-7 7.486E-7 0.0000016739999999 0.0000037429999999 0.0000083689999999 0.00001871 0.00004185 0.000093569999999 98-85-1 7409 144207703 A A alpha-Methylbenzyl alcohol CC(O)c1ccccc1 Tox21_200505 -NCGC00256368-01 196718260 tox21-ror-cho-viability-p1 set2 4 -0.68787092 -6.71663148 0.43098381 -1.74946156 0.17439943 -2.00939245 -2.82379067 -6.92572446 -10.10229336 -4.08863413 -3.72587283 -0.22033148 -3.72880388 -1.65448341 0.61770138 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135-20-6 2724103 144213269 F Fns Cupferron [NH4+].O=NN([O-])c1ccccc1 Tox21_302952 -NCGC00160667-03 196717438 tox21-ror-cho-viability-p1 set2 4 -3.40518084 -2.36150012 -5.57996686 -0.87886084 -2.24495614 -1.12826969 -1.48010893 -1.12438961 0.07473289 -3.83973038 -2.77368531 0.45385625 -8.51526541 -6.62962487 -8.71293126 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-19-9 7181 170466284 A Sulfaethidole O=S(=O)(Nc1nnc(CC)s1)c2ccc(N)cc2 Tox21_111971_1 -NCGC00166232-02 196717850 tox21-ror-cho-viability-p1 set2 4 -0.77898496 1.36856424 0.88690754 1.30826901 2.74429201 2.83508393 4.71320732 6.36973493 1.83351262 -0.88409138 0.67608335 3.7639514 1.54338613 1.04083524 -1.02215991 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 140-39-6 8797 170466885 F 4-Tolyl acetate O=C(C)Oc1ccc(C)cc1 Tox21_112361_1 -NCGC00257030-01 196718258 tox21-ror-cho-viability-p1 set2 4 24.3365162115 6.0962459879 -2.0962459879 4 4.0949729863 0.3370364731 0.3347633288 -1.3314908 -2.3698186 -0.32625776 -0.52400356 -6.71294519 -10.08020499 -1.41767477 2.25982934 0.596289 -3.40607333 -1.76795153 -2.58852746 -0.3657791 3.0788314 4.07216261 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-69-0 8069 144213492 Butanal oxime CCC\C=N/O Tox21_303175 -NCGC00256620-01 196718269 tox21-ror-cho-viability-p1 set2 4 -2.42054554 -1.06594118 3.33113989 -3.13831935 -1.87902969 -1.99348357 -0.02757592 -2.644717 -2.30022064 1.18255404 -0.56883214 -5.84777883 -6.78789703 -0.39894164 3.41901058 5.113E-10 1.1429999999E-9 2.556E-9 5.716E-9 1.278E-8 2.858E-8 6.391E-8 1.429E-7 3.1949999999E-7 7.145E-7 0.000001598 0.000003572 0.000007988 0.00001786 0.000039939999999 33032-12-1 6436730 144213936 A A Methapyrilene fumarate O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.CN(C)CCN(Cc1cccs1)c2ccccn2.CN(C)CCN(Cc1cccs1)c2ccccn2 Tox21_303631 -NCGC00256695-01 196718274 tox21-ror-cho-viability-p1 set2 4 -4.99351358 2.96902918 -0.08992639 -0.88172059 -4.62935345 -5.50614868 -1.48674463 -3.24693852 0.12524099 -3.46741606 1.29426324 -3.38700822 0.14355473 -0.70217611 2.95272388 9.0839999999E-10 2.0309999999E-9 4.5419999999E-9 1.016E-8 2.271E-8 5.0779999999E-8 1.136E-7 2.539E-7 5.678E-7 0.00000127 0.000002839 0.0000063479999999 0.00001419 0.00003174 0.000070969999999 28069-74-1 5366352 144213009 F Fns Acetaldehyde ethyl cis-3-hexenyl acetal CCOC(C)OCC\C=C/CC Tox21_302692 -NCGC00256807-01 196719091 tox21-ror-cho-viability-p1 set2 4 0.21371456 0.91613936 2.63050446 1.18021368 0.14036255 4.87495709 0.54432842 1.74097112 3.2326648 -6.22566557 3.75125665 3.76884379 0.24674173 -0.40786498 -4.73500414 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25332-39-2 62935 144213002 A A Trazodone hydrochloride Cl.Clc1cccc(c1)N2CCN(CC2)CCCN3N=C4C=CC=CN4C3=O Tox21_302685 -NCGC00257054-01 196719092 tox21-ror-cho-viability-p1 set2 4 1.7228934059 6.553410484 -4.553410484 2 3.1319983358 0.4090604991 0.2638388581 0.14256395 -3.85745252 0.90130431 -0.12717999 -13.37784207 -4.15382352 -10.53908394 -4.5986545 -6.56769591 -0.24492582 -0.56604045 4.46049345 4.24204038 1.03863482 0.70996492 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 615-54-3 12002 144213548 A Ac 1,2,4-Tribromobenzene Brc1cc(Br)c(Br)cc1 Tox21_303231 -NCGC00256376-01 196719093 tox21-ror-cho-viability-p1 set2 4 -0.95326761 -3.21684196 -3.40998513 -1.18933258 -2.82401246 -4.43588497 -2.72604838 1.06021058 -2.99448189 1.19914366 -0.07885344 -1.20778827 -4.67374873 0.65379814 -2.52837206 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 65-45-2 5147 144213118 A A Salicylamide O=C(N)c1ccccc1O Tox21_302801 -NCGC00166262-03 196717466 tox21-ror-cho-viability-p1 set2 -2.2 13.3331902297 -33.7627298119 -1.5 -35.2627298119 1.372261 0.9569938347 0.0000036773 -5.30246578 -2.86411095 -0.67002827 -0.67889264 -0.41799467 -2.28101971 -1.67471111 -0.79862732 0.69161914 -1.9990235 -2.38077113 -8.71227709 -15.20663936 -19.50568254 -32.71894151 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27503-81-7 33919 170465490 A Ensulizole O=S(=O)(O)c1cc2nc(nc2cc1)c3ccccc3 Tox21_112381_1 -NCGC00253734-01 196717450 tox21-ror-cho-viability-p1 set2 4 -0.9808325 3.08239544 1.53666909 -1.02504093 4.99832706 7.99001658 6.61839873 1.86096471 1.64608732 1.71039661 -1.44157062 -0.55540914 4.08177997 0.13685321 -1.4989541 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 137215-12-4 216385 170466179 A A Odiparcil O[C@H]3[C@H](Oc1ccc2C(C)=CC(=O)Oc2c1)SC[C@@H](O)[C@@H]3O Tox21_113853 -NCGC00094614-06 196717453 tox21-ror-cho-viability-p1 set2 4 0.3349145963 -5.177545172 2.5 -2.677545172 4.9549173134 0.5858589968 0.1088196388 4.43272762 0.5245718 0.24509496 -0.22107796 -0.2687672 4.90794872 4.73703179 5.86325236 -1.03351208 -2.91265489 -1.6867614 -5.14795431 0.01943925 -3.18342929 -2.94466981 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 88-04-0 2723 170465503 Ac 4-Chloro-3,5-dimethylphenol Oc1cc(C)c(Cl)c(C)c1 Tox21_111305_1 -NCGC00166134-02 196717460 tox21-ror-cho-viability-p1 set2 -3 29.8492948118 -73.808379135 2.586637283 -71.221741852 4.5044702849 0.9839114291 1.34E-8 0.03364777 0.02272257 0.88826323 3.33880948 5.73315707 5.5293614 4.08933235 5.99913613 0.95434112 0.33680664 0.29043207 1.89965683 1.0173454 -8.8556017 -62.26811821 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 313-06-4 9403 170464789 A Estradiol cypionate Oc4cc5CC[C@@H]1[C@H](CC[C@]2(C)[C@H](CC[C@@H]12)OC(=O)CCC3CCCC3)c5cc4 Tox21_112331_1 -NCGC00260046-01 196724582 tox21-ror-cho-viability-p1 set3 4 -4.93717577 -2.15992787 -2.11191766 1.50622926 4.72732044 4.2940708 -2.3367113 -1.37364936 -3.77572237 2.15344635 -4.94113002 -4.76910133 -5.11191941 -3.22741932 -4.00280739 2.0489999999E-10 4.581E-10 1.024E-9 2.2899999999E-9 5.1209999999E-9 1.145E-8 2.561E-8 5.726E-8 1.28E-7 2.8629999999E-7 6.4019999999E-7 0.000001431 0.000003201 0.0000071569999999 0.000016 NOCAS_33326 6537498 144209695 F F Chlorowax 500C ClC(CC(Cl)CC)C(Cl)C(Cl)C(Cl)C(C)Cl Tox21_202497 -NCGC00260567-01 196724585 tox21-ror-cho-viability-p1 set3 1.4 0.0007497804 16.740924008 -16.240924008 0.5 4.9549173134 0.7170616229 0.0391150051 -12.28410334 -0.54150398 0.38849529 -1.08298451 -1.75659107 -4.03649159 2.54646547 3.96478461 2.15388816 4.05105288 0.61974165 1.82785199 0.19809162 -0.04672385 7.16362088 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49463 144210220 M M NTP Mix75 CT1 62-EQP Tox21_203022 -NCGC00260655-01 196711347 tox21-ror-cho-viability-p1 set2 -2.4 13.3331902297 -23.021541924 0 -23.021541924 3.5117481694 0.8178565988 0.0077170393 -1.7333754 -0.86879666 4.69650823 -0.18648192 5.28503408 -1.25575935 0.4972231 -1.02751373 1.47408756 -2.70336539 -1.58358928 -2.80656029 -1.76625844 -24.18461827 -1.81860441 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49551 144210308 M M NTP Mix21 AR2 2-EQP Tox21_203110 -NCGC00256231-01 196710935 tox21-ror-cho-viability-p1 set2 4 5.45925585 6.27528901 2.76244852 2.50635937 1.57901334 3.38605285 3.35052335 3.21935836 -0.20919588 1.99953751 0.30115884 -0.14649937 0.34915507 -1.73979576 3.9096677 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6961-82-6 81410 144211941 A A 2-Chlorobenzenesulfonamide O=S(N)(=O)c1ccccc1Cl Tox21_301624 -NCGC00258749-01 196702148 tox21-ror-cho-viability-p1 set1 4 -0.61685547 1.96064275 0.19991929 -0.9003939 0.94693234 0.20797826 3.57743329 1.57123545 0.60523248 -0.76358782 1.1644934 1.526585 0.89862043 -0.91377411 1.16809979 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9569999999E-8 6.613E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003697 0.000008266 0.00001848 0.00004133 0.000092409999999 1002-84-2 13849 144208395 A Ac Pentadecanoic acid O=C(O)CCCCCCCCCCCCCC Tox21_201197 -NCGC00257603-01 196701728 tox21-ror-cho-viability-p1 set1 4 1.68207906 -5.15236378 3.86672123 0.96854332 -6.5592515 -4.55762656 -9.22365209 -0.01289395 0.3573438 2.33744983 -1.3530757 -7.20250096 0.86703067 -3.63122026 -7.92539735 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.000018429999999 0.0000412 0.000092129999999 86-86-2 6861 144207247 A A 1-Naphthaleneacetamide NC(=O)Cc2cccc1ccccc12 Tox21_200049 -NCGC00258456-01 196701730 tox21-ror-cho-viability-p1 set1 4 -0.70879194 -0.38723343 -1.91887508 -3.01923204 -6.75427793 -4.90626994 -3.58326601 -3.18321119 -1.29478663 -0.91309359 -4.34551776 -1.01097627 2.20973805 -4.13925078 -0.19349502 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.679E-8 1.494E-7 3.34E-7 7.468E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004175 0.000093349999999 127-68-4 31389 144208100 A A Sodium 3-nitrobenzenesulfonate [Na+].O=S([O-])(=O)c1cc(ccc1)[N+]([O-])=O Tox21_200902 -NCGC00257912-01 196701734 tox21-ror-cho-viability-p1 set1 4 -10.18620577 -4.66566364 0.3021918 -7.65007032 -6.01334085 -6.39542664 -12.34654088 -6.62671979 -2.75462206 -6.98147836 -8.10938871 -7.83132981 -9.85529678 -6.28229466 0.04815026 1.2379999999E-9 2.768E-9 6.189E-9 1.3839999999E-8 3.0949999999E-8 6.92E-8 1.547E-7 3.4599999999E-7 7.7359999999E-7 0.00000173 0.000003868 0.00000865 0.000019339999999 0.00004325 0.000096709999999 75-83-2 6403 144207556 FNS 2,2-Dimethylbutane CC(C)(C)CC Tox21_200358 -NCGC00258426-01 196702565 tox21-ror-cho-viability-p1 set1 -1.2 1.9272220481 -32.1359892935 1.7044525415 -30.431536752 1.9673362061 0.913150684 0.0001576964 -1.04015426 -5.43773332 5.26315504 1.81301037 4.92730907 0.23826829 5.43146389 -2.03736565 -1.1698608 -10.65939981 -26.88687941 -24.38226614 -24.9813489 -27.96199265 -40.47948528 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.0000016459999999 0.00000368 0.000008228 0.000018399999999 0.000041139999999 0.000091989999999 131-89-5 8540 144208070 A A Dinex [O-][N+](=O)c1cc(c(O)c(c1)[N+]([O-])=O)C2CCCCC2 Tox21_200872 -NCGC00260663-01 196702979 tox21-ror-cho-viability-p1 set1 4 1.39596051 -0.65630411 -0.30341357 0.72817222 0.59979514 0.03257161 -0.75074472 0.23419873 3.22598674 3.05016115 2.82477619 1.48669192 4.54215142 0.61042675 0.13123326 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49559 144210316 M M NTP Mix28 AR2 3-EQP Tox21_203118 -NCGC00357207-01 196702981 tox21-ror-cho-viability-p1 set1 -1.1 0.4107804129 -79.6491950747 0.2759899939 -79.3732050808 3.9294729863 0.9688951823 5.954E-7 -8.06303563 -1.76769668 7.24780405 0.42280291 1.76846969 -0.81352955 2.35968773 -1.51662202 -2.83051092 -39.11034214 -78.72016492 -86.13526698 -79.38040673 -60.88707627 -89.99229601 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 639-58-7 12540 251919755 A Triphenyltin chloride Cl[Sn](c1ccccc1)(c2ccccc2)c3ccccc3 Tox21_303984 -NCGC00256200-01 196700929 tox21-ror-cho-viability-p1 set1 4 71.8808948945 15.043854768 -1.043854768 14 4.9549173134 0.648935432 0.0654959538 -1.93404234 4.53804079 -0.71572587 -0.39843597 -1.03215649 -0.56882947 -3.34566147 -3.75194491 -5.03654564 0.64308124 0.55629393 -0.71545293 0.74613126 -0.8159086 10.99073547 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 7778-74-7 516900 144212509 Potassium perchlorate [K+].[O-]Cl(=O)(=O)=O Tox21_302192 -NCGC00255641-01 196700510 tox21-ror-cho-viability-p1 set1 4 -0.25626623 2.84445971 0.85171885 1.06383409 -1.4034421 -0.24949038 1.2527567 0.6794953 -0.96942806 1.57511364 0.02982892 -1.28554489 0.9692202 -1.32826726 2.26315275 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 2835-68-9 76079 144211973 A A 4-Aminobenzamide O=C(N)c1ccc(N)cc1 Tox21_301656 -NCGC00163953-03 196700908 tox21-ror-cho-viability-p1 set1 -2.4 72.7253077472 -33.112052628 -1 -34.112052628 4.0449729863 0.8736969696 0.0010125955 -0.18771232 -3.87917448 -6.85988795 -0.01303724 -0.04263602 -1.13733712 1.01123516 -3.79539769 -0.3284537 3.98295787 0.41730923 -0.47813803 0.67737089 -4.67002639 -26.34337719 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00255543-01 196700918 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -11.837060716 1.5 -10.337060716 4.0449729863 0.6784641054 0.0495574869 1.84601901 1.86964243 0.6770975 0.54874127 1.05988739 1.35600426 2.32674753 2.016279 0.61578582 3.90302312 6.05231968 -1.13218953 -0.05903802 0.32576493 -7.78088393 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 137-66-6 54680660 144212243 A Ascorbyl palmitate OC=1C(=O)O[C@H]([C@@H](O)COC(=O)CCCCCCCCCCCCCCC)C=1O Tox21_301926 -NCGC00255863-01 196701329 tox21-ror-cho-viability-p1 set1 4 1.96187881 2.22622294 -1.25107369 3.41557525 0.70889835 -1.72330651 -1.39844261 1.45618323 1.22270393 0.41111468 1.68680764 2.98661967 1.19301739 -0.01920662 3.63574749 1.177E-9 2.631E-9 5.884E-9 1.316E-8 2.942E-8 6.578E-8 1.471E-7 3.289E-7 7.355E-7 0.000001645 0.0000036769999999 0.000008223 0.00001839 0.00004111 0.000091939999999 504-02-9 10434 144212475 A A 1,3-Cyclohexanedione O=C1CCCC(=O)C1 Tox21_302158 -NCGC00255247-01 196701333 tox21-ror-cho-viability-p1 set1 -2.2 30.6378586933 -68.9965404588 1.6224982884 -67.3740421704 0.8999999999 0.9706283556 4.305E-7 0.16834885 2.17576143 4.07857219 -1.38770871 0.07327958 2.83956284 1.68247021 0.69832831 0.94576551 0 -14.58500405 -14.4376808 -24.58070647 -34.72575816 -53.47146204 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3691-35-8 19402 144211882 B F Chlorophacinone Clc1ccc(cc1)C(c2ccccc2)C(=O)C4C(=O)c3ccccc3C4=O Tox21_301565 -NCGC00090952-07 196699498 tox21-ror-cho-viability-p1 set1 4 0.73555738 -2.30176986 0.11831556 1.28017107 -3.89900401 1.91953191 -1.71268051 -3.14284161 -1.91064843 -0.82881586 -3.93363094 -2.7725205 -1.01434578 -1.7118538 -3.62097812 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00254719-01 196699067 tox21-ror-cho-viability-p1 set1 4 0.66005437 -1.19037704 0.92382198 -0.06034432 -1.2196351 0.97910681 0.00645796 3.55499875 0.62724349 1.17944035 1.361687 -0.47021753 1.09992246 0.86728856 2.82139265 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18829-56-6 5283335 144211132 A F (E)-2-Nonenal CCCCCC\C=C\C=O Tox21_300815 -NCGC00254168-01 196699074 tox21-ror-cho-viability-p1 set1 4 2.1333172 -1.40671701 3.1302009 0.04472547 1.54420695 1.3045072 2.63938434 1.32221212 -0.49624979 2.19760976 -0.93907986 2.26549122 0.07830269 4.95013097 -1.4834219 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27138-31-4 101560 144210467 B B Di(propylene glycol) dibenzoate CC(OC(=O)c1ccccc1)COCC(C)OC(=O)c2ccccc2 Tox21_300147 -NCGC00254351-01 196699487 tox21-ror-cho-viability-p1 set1 4 -0.70658278 0.2575751 -2.87016693 -0.1410894 0.13390881 0.15350146 0.52402229 0.08697446 -0.27789396 2.35022814 0.00087248 2.40370813 -2.3023387 3.63207634 4.57199065 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 166412-78-8 11524680 144210955 I Fns Diisononyl cyclohexane-1,2-dicarboxylate CC(C)CCCCCCOC(=O)C1CCCCC1C(=O)OCCCCCCC(C)C Tox21_300638 -NCGC00254033-01 196699900 tox21-ror-cho-viability-p1 set1 4 12.1971512362 6.6308149319 -1.6308149319 5 1.0999999999 0.5222844166 0.1616781425 -2.3963272 -1.06638468 -0.43764932 -0.38239789 -1.8853585 -3.44551671 -4.27567911 -1.37355201 0.11770976 0.63350232 -1.14055953 -1.41489494 6.9810607 0.43759062 4.96568964 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 862243-29-6 24798733 144210572 A A AVE9423 O=C(O)c1ccccc1N4C=C(C(=O)c3cc(Nc2c(F)cc(F)cc2Cl)c(Cl)cc34)C(=O)O Tox21_300252 -NCGC00254790-01 196699905 tox21-ror-cho-viability-p1 set1 4 -1.50730377 -1.31004641 -0.49079957 -5.03040119 0.62837632 1.01325221 0.36144932 -1.72625782 -4.48009332 -4.85982934 2.49966836 -3.89849141 1.16031648 -4.0511324 2.55549928 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 43121-43-3 39385 144211203 A A Triadimefon CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_300886 -NCGC00254490-01 196699909 tox21-ror-cho-viability-p1 set1 4 -1.60644956 0.17850213 -0.24728004 1.04771026 -1.46370003 -0.52075603 -0.54134055 0.82202095 0.05055646 -0.20043851 -1.47248106 -1.3727721 4.3830402 3.63388209 4.46784508 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-50-5 8190 144210687 A 2-[2-(2-Ethoxyethoxy)ethoxy]ethanol OCCOCCOCCOCC Tox21_300369 -NCGC00259484-01 196721528 tox21-ror-cho-viability-p1 set3 4 19.3901734335 9.028675912 -9.41726998 -0.388594068 4.9549173134 0.349037799 0.338042423 -14.51439165 -4.68253047 -7.40673394 -3.16642568 -8.90748135 -12.6322474 -13.96202453 -8.93518084 -10.43675979 -4.68480361 -11.168776 -11.68466664 -5.72202061 -0.32382839 -7.14692527 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.397E-7 0.0000016539999999 0.0000036979999999 0.0000082699999999 0.000018489999999 0.00004135 0.000092459999999 5809-23-4 79878 144209133 A A 2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid O=C(c1ccc(cc1O)N(CC)CC)c2ccccc2C(=O)O Tox21_201935 -NCGC00259863-01 196721136 tox21-ror-cho-viability-p1 set3 4 76.5676715067 -15.340726568 -1.5 -16.840726568 0.8999999999 0.5227685655 0.1601730314 -3.7238892 -2.78300093 -0.08661674 4.29410324 -0.80814179 -3.900513 -4.21134671 -3.8135922 -2.05698719 0.0366976 -2.78788585 -4.41287377 -4.20853013 -3.92111999 -12.36727214 1.175E-9 2.626E-9 5.873E-9 1.3129999999E-8 2.936E-8 6.566E-8 1.468E-7 3.2829999999E-7 7.341E-7 0.000001642 0.0000036709999999 0.000008208 0.00001835 0.00004104 0.00009176 85-70-1 6819 144209512 A A Butylphthalyl butylglycolate O=C(OCCCC)COC(=O)c1ccccc1C(=O)OCCCC Tox21_202314 -NCGC00259505-01 196721146 tox21-ror-cho-viability-p1 set3 -1.1 15.5898338399 -75.5986923079 -0.712484604 -76.3111769119 2.3331733767 0.9756786785 1.465E-7 -8.70848028 -6.78969391 -0.42717405 -2.02279729 5.19886528 -0.50130671 0.79020994 0.34936007 -0.60525061 -3.53202816 -1.66493453 -7.59934935 -51.03149803 -66.05374812 -76.92598076 1.195E-9 2.672E-9 5.976E-9 1.336E-8 2.988E-8 6.6809999999E-8 1.494E-7 3.341E-7 7.47E-7 0.0000016699999999 0.000003735 0.000008352 0.00001867 0.000041759999999 0.00009337 97-00-7 6 144209154 A A 1-Chloro-2,4-dinitrobenzene O=[N+]([O-])c1cc(ccc1Cl)[N+]([O-])=O Tox21_201956 -NCGC00259086-01 196721147 tox21-ror-cho-viability-p1 set3 4 25.0062589465 7.292442868 -3.792442868 3.5 4.9549173134 0.4166406648 0.2579540797 0.48977507 -0.12320372 -3.00153106 -1.44624259 -3.25501167 -7.74370239 -6.74419056 -5.79979115 -1.42285785 -0.2101002 -7.48842358 -7.10410327 -2.77025336 3.71054018 2.62742323 1.2069999999E-9 2.7E-9 6.037E-9 1.3499999999E-8 3.019E-8 6.75E-8 1.509E-7 3.375E-7 7.547E-7 0.000001687 0.000003773 0.0000084369999999 0.00001887 0.000042189999999 0.00009433 6915-15-7 525 144208734 A B Malic acid O=C(O)C(O)CC(=O)O Tox21_201536 -NCGC00259374-01 196721529 tox21-ror-cho-viability-p1 set3 4 0.0016931509 15.2920729879 -17.2920729879 -2 0.7 0.4767155679 0.2194990828 -13.57672749 -6.24110246 -4.23131223 -4.59174174 -4.47158325 -3.71625347 -3.86937739 -2.79723331 -6.15443772 -2.74892944 -3.82300325 -2.80905054 -6.41892302 0.22339753 -4.92768022 1.163E-9 2.5999999999E-9 5.813E-9 1.2999999999E-8 2.9069999999E-8 6.5E-8 1.453E-7 3.25E-7 7.267E-7 0.000001625 0.0000036329999999 0.000008124 0.00001817 0.000040619999999 0.00009083 208-96-8 9161 144209023 AC Bc Acenaphthylene c1cc2cccc3C=Cc(c1)c23 Tox21_201825 -NCGC00263558-01 196725187 tox21-ror-cho-viability-p1 set3 4 2.80041811 2.84133816 -4.33958521 -1.70200558 -0.66125232 -0.85688842 -2.16264211 0.46821063 3.33317028 10.52000652 8.75727078 -0.25995649 -3.54996275 0.00747601 1.88158556 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 521-17-5 10634 170465858 F Androstenediol O[C@H]4CC[C@@]3(C)C(=CC[C@@H]1[C@@H]3CC[C@]2(C)[C@@H](O)CC[C@@H]12)C4 Tox21_112495_1 -NCGC00016395-06 196725174 tox21-ror-cho-viability-p1 set3 4 -2.26261105 1.40621603 2.21467383 3.71836632 1.7872094 18.82055117 9.36338652 10.53079203 -0.67257541 12.83503396 7.37567087 9.44251998 4.88481525 -0.66640509 -0.62197204 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 132-18-3 66063 170464816 A Diphenylpyraline hydrochloride Cl.CN3CCC(OC(c1ccccc1)c2ccccc2)CC3 Tox21_110419_1 -NCGC00021569-09 196725175 tox21-ror-cho-viability-p1 set3 4 2.51446588 3.67044142 -0.78300952 -1.40901756 -0.26899245 -0.44315261 1.45910455 0.79385339 7.44774261 7.65242498 4.3320523 -0.42662488 0.75306956 4.6939378 -0.59587767 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 75847-73-3 5388962 170464969 Ac Enalapril maleate OC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N[C@@H](CCc1ccccc1)C(=O)OCC Tox21_110872_1 -NCGC00183844-01 196725580 tox21-ror-cho-viability-p1 set3 1.1 0.0149600855 53.9269492164 -2.6384270725 51.2885221439 1.6266150999 0.9290514903 0.0000551045 2.97773876 -3.99471265 -0.78635641 5.30865321 23.1736055 45.74842681 47.64021703 46.88516487 37.78739393 42.51108949 51.68593242 53.15501179 58.22636765 62.9007252 53.28463925 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127254-12-0 44341259 144206881 A A Sitafloxacin hydrate N[C@H]2CN(CC12CC1)c3c(F)cc4c(c3Cl)[N@@](C=C(C4=O)C(=O)O)C5C[C@H]5F Tox21_113330 -NCGC00090885-03 196725586 tox21-ror-cho-viability-p1 set3 4 0.1722893406 8.309235164 0.690764836 9 1.331 0.6060989941 0.1068741097 2.37385534 1.91901852 0.38417387 -1.50769597 0.9405738 -0.10415682 8.09577595 5.23398546 6.16137618 7.95469083 17.13997783 5.23043825 7.18978725 8.75929721 -4.92191563 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00091663-03 196725587 tox21-ror-cho-viability-p1 set3 4 -2.36813019 -9.9214632 5.91727786 1.65918536 -1.57428258 0.29738341 -1.57976217 -4.19400317 -8.71844217 -6.03845308 -1.76720947 -0.43303874 -2.84768507 -2.39785612 -9.69381554 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00014702-15 196725590 tox21-ror-cho-viability-p1 set3 4 0.0237101377 5.89325434 0.60674566 6.5 1.21 0.6992543062 0.0393338417 1.71600819 -0.32771195 0.50018226 1.69630143 3.18060625 3.77182001 5.3152161 7.08037372 4.82849873 3.48392638 10.58790502 8.42436933 7.30582245 5.01544235 5.900364 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50892-23-4 5694 170466397 A Pirinixic acid Cc2cccc(Nc1cc(Cl)nc(SCC(=O)O)n1)c2C Tox21_110058_1 -NCGC00258733-01 196730236 tox21-ror-cho-viability-p1 set3 4 1.22844754 1.11167397 5.65975367 0.21473002 -1.9098762 0.58243985 1.9034882 2.09286388 -0.64098498 -0.43658017 0.15840668 -0.97700058 -0.46175875 2.53805591 2.7044226 1.1739999999E-9 2.625E-9 5.87E-9 1.3129999999E-8 2.9349999999E-8 6.5629999999E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003669 0.000008203 0.00001834 0.00004102 0.000091709999999 2645-07-0 17549 144208379 A A 4-Nitrohippuric acid O=[N+]([O-])c1ccc(cc1)C(=O)NCC(=O)O Tox21_201181 -NCGC00259694-01 196705800 tox21-ror-cho-viability-p1 set1 4 4.28118511 -7.82638031 1.27630672 -2.65034191 0.28554932 -2.3292931 -0.54773605 1.58617147 4.11528564 -0.11239378 -8.72624896 3.59236303 0.44339009 3.92283267 2.54606378 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.000041429999999 0.000092629999999 131-11-3 8554 144209343 A A Dimethyl phthalate COC(=O)c1ccccc1C(=O)OC Tox21_202145 -NCGC00015469-09 196705379 tox21-ror-cho-viability-p1 set1 4 -0.66359518 0.92004056 -0.43722838 2.16428 -0.45972516 0.63307503 -0.33878828 -1.62659551 0.55944839 0.78611133 5.84877923 -0.14732736 0.45533504 7.25617002 1.7623016 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 29520-14-7 71401 170465381 A Guanfacine hydrochloride Cl.Clc1cccc(Cl)c1CC(=O)NC(=N)N Tox21_110159_1 -NCGC00091426-02 196705394 tox21-ror-cho-viability-p1 set1 4 2.37736651 1.45803656 2.36714185 2.21806284 -1.03331888 -1.25914641 0.38763169 2.3088164 0.6269454 -8.25499541 1.09636603 1.39585853 0.35645041 1.57234114 -1.15973869 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00183362-02 196705398 tox21-ror-cho-viability-p1 set1 4 0.5917832 0.11540323 -0.77784396 0.23464048 -0.17563073 -5.70218937 -5.99021163 0.8830149 0.0586283 -1.13696715 -1.49552335 2.26255514 1.01710102 -0.06593576 1.69559706 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5534-95-2 9853654 170465396 A Pentagastrin NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)CCNC(=O)OC(C)(C)C)Cc3cnc2ccccc23 Tox21_113479_1 -NCGC00259809-01 196705810 tox21-ror-cho-viability-p1 set1 4 0.0019882927 15.182729264 -15.182729264 0 1.59358881 0.8011659581 0.007933679 -10.98560772 -6.2580543 0.06523802 -4.03773075 -0.34453162 -3.06845833 1.24214847 -0.2194458 -0.01632115 0 0.11696269 0.66813657 -0.7392803 1.75604197 0.95161301 1.208E-9 2.7009999999E-9 6.04E-9 1.3509999999E-8 3.02E-8 6.753E-8 1.51E-7 3.3769999999E-7 7.55E-7 0.0000016879999999 0.000003775 0.000008441 0.00001888 0.00004221 0.000094379999999 3452-97-9 18938 144209458 A A 3,5,5-Trimethyl-1-hexanol CC(C)(C)CC(C)CCO Tox21_202260 -NCGC00259603-01 196705812 tox21-ror-cho-viability-p1 set1 4 9.2174774 9.60782529 5.817088 1.77589854 0.60006557 2.06909583 -0.17773846 0.66709267 -0.20553755 0 0.13240803 0.10289748 1.16482269 2.16279155 5.25128125 1.2149999999E-9 2.716E-9 6.073E-9 1.358E-8 3.036E-8 6.7899999999E-8 1.518E-7 3.395E-7 7.591E-7 0.000001697 0.0000037959999999 0.000008487 0.00001898 0.000042439999999 0.00009489 24295-03-2 520108 144209252 B Ac 2-Acetylthiazole CC(=O)c1nccs1 Tox21_202054 -NCGC00357264-01 196703337 tox21-ror-cho-viability-p1 set1 -2.2 76.9588215421 -37.18274662 -3 -40.18274662 1.0999999999 0.6912105094 0.0421391255 -1.10555068 -1.36857693 -8.46796907 -0.08814893 0.11414273 -2.48580019 -2.6545089 -9.28120704 -0.29939526 -7.69464659 -3.2741403 -12.46059767 -3.80652758 -10.54352089 -30.15228885 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 301-00-8 5319706 251919764 Fns Methyl linolenate O=C(CCCCCCC/C=C\C/C=C\C/C=C\CC)OC Tox21_303764 -NCGC00258193-01 196702516 tox21-ror-cho-viability-p1 set1 4 0.69788113 -9.41832026 -4.11258743 -4.39436029 -2.47613116 -6.12693112 -7.14089427 -4.01347781 -6.33141703 0.85584678 -2.38485947 -2.87017577 -11.76557574 2.57566952 2.05380924 1.194E-9 2.671E-9 5.972E-9 1.335E-8 2.986E-8 6.677E-8 1.493E-7 3.338E-7 7.465E-7 0.000001669 0.000003733 0.000008346 0.00001866 0.000041729999999 0.00009331 627-63-4 5325504 144207837 F Fumaryl chloride ClC(=O)/C=C/C(Cl)=O Tox21_200639 -NCGC00357037-01 196702910 tox21-ror-cho-viability-p1 set1 4 1.19770596 2.87580412 1.59169732 0.54900821 1.07233042 -1.29689188 1.02783795 0.23082242 6.78320752 -1.74268091 1.11190389 3.48345509 1.20544697 1.68551512 4.29279983 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10482-56-1 443162 251919979 A (L)-alpha-Terpineol CC1=CC[C@H](CC1)C(O)(C)C Tox21_303728 -NCGC00260091-01 196702916 tox21-ror-cho-viability-p1 set1 4 38.2180279848 -29.025200316 -4.103359948 -33.128560264 0.3 0.4370771056 0.2365609012 -13.69173672 -9.41474456 -0.84854679 -12.38591057 -10.4586755 -11.32589009 -0.08613329 -6.81721743 -9.17932505 -13.42028722 -13.24066982 -10.86771298 -20.57353164 -24.27380022 -17.97419368 1.171E-9 2.617E-9 5.8529999999E-9 1.3089999999E-8 2.926E-8 6.543E-8 1.463E-7 3.2719999999E-7 7.316E-7 0.0000016359999999 0.000003658 0.0000081789999999 0.00001829 0.0000409 0.00009145 1271-19-8 5284468 144209740 Fns Titanocene dichloride [Cl-].[Cl-].C=2CC([Ti+2]C1=CC=CC1)=CC=2 Tox21_202542 -NCGC00356980-01 196703347 tox21-ror-cho-viability-p1 set1 4 -2.35737257 -0.52488118 1.78639687 -0.4925953 -2.46859304 -0.36238529 -0.72298034 -3.03903708 1.25139979 1.84885113 -1.91080574 -2.88397823 0.79329183 -4.12288388 -2.18927511 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 20120-33-6 29959 251919748 F Dimethyl N-methylolphosphonopropionamide O=P(CCC(=O)NCO)(OC)OC Tox21_303831 -NCGC00260261-01 196703745 tox21-ror-cho-viability-p1 set1 4 -8.02697071 -4.44641458 -1.06299207 0.92351044 -4.65656505 -4.80744305 -0.38870457 -15.25454567 -7.73584404 -8.09751567 -1.12456785 -11.39734124 -4.53755727 -14.37878549 -7.91854074 1.2849999999E-9 2.872E-9 6.423E-9 1.436E-8 3.212E-8 7.1809999999E-8 1.606E-7 3.591E-7 8.0289999999E-7 0.0000017949999999 0.000004014 0.000008976 0.00002007 0.00004488 0.0001004 100-11-8 66011 144209911 F A 4-Nitrobenzylbromide O=[N+]([O-])c1ccc(CBr)cc1 Tox21_202713 -NCGC00356954-01 196703749 tox21-ror-cho-viability-p1 set1 4 -0.1837466 2.08992455 0.56055604 4.73717537 0.63219253 0.50183072 5.35606508 3.34464555 4.72977609 2.84149105 5.14010621 -0.91107013 4.62227675 1.42433459 4.85938504 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3068-00-6 18302 251919792 A 1,2,4-Butanetriol OCCC(O)CO Tox21_303969 -NCGC00357164-01 196703753 tox21-ror-cho-viability-p1 set1 4 -0.69565669 -0.549502 -7.18304436 0.28908995 0.51515312 1.21536871 0.49926548 -0.4931994 0.8957114 0.27029682 5.27187386 -5.71953079 1.41467788 0.01566006 0.30559778 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 107133-36-8 441313 251919783 A Perindopril erbumine CC(C)(C)N.O=C(OCC)[C@H](CCC)N[C@@H](C)C(=O)N1[C@@H](C[C@@H]2CCCC[C@H]12)C(=O)O Tox21_303915 -NCGC00254575-01 196699270 tox21-ror-cho-viability-p1 set1 4 0.04468099 2.80903245 -1.41395476 -2.38286655 -1.54723435 -7.97064335 1.53529889 0.49607348 -0.59050563 1.78188209 2.5606777 0.55300916 3.00994319 -1.12379943 3.22899948 1.368E-9 3.059E-9 6.8389999999E-9 1.529E-8 3.42E-8 7.647E-8 1.71E-7 3.823E-7 8.549E-7 0.0000019119999999 0.000004275 0.0000095579999999 0.00002137 0.000047789999999 0.0001069 1824-81-3 15765 144210984 A Ac 6-Methylpyridin-2-amine Cc1cccc(N)n1 Tox21_300667 -NCGC00254133-01 196699277 tox21-ror-cho-viability-p1 set1 4 -2.55294777 -1.33416698 -0.87288382 1.37328096 0.5558253 1.31210399 -0.0349854 -4.6855765 -0.23343806 -1.04600882 0.74767537 -1.74470817 -0.13992609 1.45050434 -0.88407698 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-07-7 7367 144210501 BC Ac Benzotrichloride ClC(Cl)(Cl)c1ccccc1 Tox21_300181 -NCGC00254387-01 196699289 tox21-ror-cho-viability-p1 set1 4 0.57838998 3.69484871 0.86919707 1.72564071 3.30325505 -0.02833755 3.33046791 1.58791627 1.2244317 0.82771943 0.92537192 -2.16080694 -0.43438267 1.26236378 -1.25846106 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47291 9843744 144210773 A A CI-1044 Nc2cc3C(=N[C@@H](NC(=O)c1cccnc1)C(=O)N4CCc(c2)c34)c5ccccc5 Tox21_300455 -NCGC00254488-01 196699293 tox21-ror-cho-viability-p1 set1 4 -1.14492779 -1.93184717 -1.66242977 -2.5116993 -0.66705245 0.07154862 -0.93547538 -3.91556863 -0.17113181 -1.34724176 -2.05790563 3.25569752 4.4187533 2.06880597 -0.09118345 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-12-0 7002 144210657 B Ac 1-Methylnaphthalene Cc2cccc1ccccc12 Tox21_300339 -NCGC00254263-01 196699685 tox21-ror-cho-viability-p1 set1 4 1.38763123 -0.71528824 0.53397725 -6.6491438 1.51880607 1.5708941 1.67339401 -7.94897292 -0.59318991 -0.2095871 -7.22750492 0.30949221 -0.80176271 0.73734456 0.08428304 1.125E-9 2.517E-9 5.627E-9 1.2579999999E-8 2.8139999999E-8 6.2909999999E-8 1.4069999999E-7 3.1459999999E-7 7.034E-7 0.0000015729999999 0.000003517 0.000007864 0.00001759 0.000039319999999 0.00008793 82385-42-0 443755 144210921 A F Sodium saccharin hydrate [Na+].O.O=C1[N-]S(=O)(=O)c2ccccc12 Tox21_300604 -NCGC00254566-01 196699702 tox21-ror-cho-viability-p1 set1 4 -0.66491346 -3.38534889 0.74867429 -2.0056231 0.23643067 0.76959722 -1.71657105 0.93337313 -1.05810755 -1.42348569 0.61606314 -2.84188333 -1.22714548 0.52564624 0.09206228 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55-38-9 3346 144210975 D Fenthion Cc1cc(ccc1SC)OP(=S)(OC)OC Tox21_300658 -NCGC00255893-01 196700102 tox21-ror-cho-viability-p1 set1 4 -1.53303078 2.37092809 0.08241394 0.96769096 2.1970825 -1.18219156 0.0205297 3.50780535 2.96767875 4.08535758 -4.02712856 2.61345062 0.05451786 4.40153413 -0.12263234 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3060-89-7 18290 144212281 A A Metobromuron Brc1ccc(NC(=O)N(C)OC)cc1 Tox21_301964 -NCGC00091387-08 196725858 tox21-ror-cho-viability-p1 set3 4 0.0133331902 15.8514870919 -6.3514870919 9.5 1.4641 0.6179868932 0.0843066954 -7.79290591 -2.60232772 -6.87306062 -2.39911424 4.33420477 2.45722378 13.3835192 10.52628308 8.27061061 3.16963806 10.55923455 3.50743148 1.72907046 19.75836016 16.59364365 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1239-45-8 14710 170466062 A Ethidium bromide [Br-].CC[n+]3c4cc(N)ccc4c1ccc(N)cc1c3c2ccccc2 Tox21_111410_1 -NCGC00256182-01 196700109 tox21-ror-cho-viability-p1 set1 -2.4 48.5577336745 -32.681765044 0.5 -32.181765044 2.4729283767 0.7658320455 0.0151053345 3.71906399 1.42407376 2.39131466 0.64669115 -1.76618471 -0.64529837 3.30792943 1.13480801 2.10461741 2.31436775 -13.29007308 3.70184331 -1.97559866 -12.61972632 -26.40147087 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-99-5 7212 144211866 A D 2,4-Dichloro-1-(chloromethyl)benzene ClCc1ccc(Cl)cc1Cl Tox21_301549 -NCGC00255622-01 196700114 tox21-ror-cho-viability-p1 set1 4 -4.14648607 -0.45406836 -0.80135103 -3.82419039 -0.56429079 -5.78211205 -0.70384004 -0.05497906 0.92269715 0.45378504 -4.11664725 1.08068968 -1.06281911 -0.51778763 1.99093977 1.044E-9 2.335E-9 5.22E-9 1.167E-8 2.61E-8 5.836E-8 1.305E-7 2.918E-7 6.5249999999E-7 0.000001459 0.000003263 0.000007296 0.000016309999999 0.000036479999999 0.000081569999999 76231-76-0 261491 144212157 Z F (-)-alpha,beta-Thujone C[C@H]1C(=O)C[C@@]2(C[C@H]12)C(C)C Tox21_301840 -NCGC00257547-01 196728347 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -24.443472604 1.5 -22.943472604 4.9549173134 0.7887387612 0.0100649635 0 2.53042422 3.90385942 4.36808069 -0.23341377 -0.42495314 3.13579286 -0.01508643 2.34087224 2.96434796 2.34695851 -1.8929829 -3.55884013 2.04500585 -15.78622717 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7152-80-9 23540 144212508 A A 4-(Dimethylamino)phenylthiocyanate N#CSc1ccc(cc1)N(C)C Tox21_302191 -NCGC00255497-01 196728350 tox21-ror-cho-viability-p1 set3 1.4 0.0015355304 23.2622209 -22.7622209 0.5 4.0949729863 0.797599206 0.008425161 -17.30185075 -1.80961226 -2.09899312 -1.5750803 -1.35525841 -0.85135289 3.20240165 3.87272952 1.95285826 3.60338169 3.86522334 -1.77286492 -1.16131852 -0.29693414 -2.31302275 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-37-2 31208 144212303 A A 4-Anilinophenol Oc2ccc(Nc1ccccc1)cc2 Tox21_301986 -NCGC00183002-01 196725011 tox21-ror-cho-viability-p1 set3 -2.4 33.4914596268 -29.726940288 1.5 -28.226940288 4.9549173134 0.7727792859 0.0134260366 6.87469581 5.17749489 2.04586542 2.88479507 -3.0884945 1.59291537 0.92419831 -2.0664182 -2.06928396 0.78622129 -1.62556447 7.20855286 -3.90748464 0.58275824 -23.52245024 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7296-30-2 636399 144206874 Ac Fns Safrazine hydrochloride Cl.CC(NN)CCc1ccc2OCOc2c1 Tox21_113323 -NCGC00090702-02 196717623 tox21-ror-cho-viability-p1 set2 4 0.82534803 0.62736153 1.82237067 1.65706219 2.85497227 5.18380597 4.81704674 5.6038744 0.84314955 1.98789912 0.42003715 1.0668324 1.00301549 0.15127009 1.15467357 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00253769-01 196717606 tox21-ror-cho-viability-p1 set2 4 0.9439175816 2.9087524879 -0.9087524879 2 4.9549173134 0.3437989782 0.3331966396 -0.91615782 0.95824447 1.01947712 0.03970422 0.77519919 -0.41109365 -5.75729374 -0.65227158 -0.57801839 -0.76896261 5.16177663 2.59531533 1.57567193 0.3934111 1.46270353 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4945-47-5 72075 170466303 A Fc Bamipine CN1CCC(CC1)N(Cc2ccccc2)c3ccccc3 Tox21_113882 -NCGC00091616-03 196717609 tox21-ror-cho-viability-p1 set2 4 -5.63639576 -1.30335779 -1.28725405 -0.50295449 -0.94165016 -0.7022226 -2.92622602 -0.60819302 -3.09098312 -3.55350542 -6.31707415 -5.32792142 -4.09119944 -3.28713139 -1.00210134 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 938-73-8 3282 170465775 A 2-Ethoxybenzamide CCOc1ccccc1C(N)=O Tox21_111156_1 -NCGC00179445-03 196717615 tox21-ror-cho-viability-p1 set2 4 14.9600854925 -10.1224842239 -1.5 -11.6224842239 4.4494702849 0.5660004108 0.1233614361 2.23583499 0.01919861 -1.28875872 0.2045599 -2.53461305 -4.66483701 -6.19752107 -6.50722397 -3.45994776 2.19712026 2.03687448 1.31365711 -1.95994613 -10.807366 -10.93540352 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 152-62-5 9051 170465104 A Dydrogesterone CC(=O)[C@H]2CC[C@H]3[C@@H]4C=CC1=CC(=O)CC[C@@]1(C)[C@@H]4CC[C@]23C Tox21_110429_1 -NCGC00016000-13 196718034 tox21-ror-cho-viability-p1 set2 -2.1 62.5631710251 -106.1290730646 -8.882571723 -115.0116447876 0.8999999999 0.7737490999 0.0131345955 1.6956833 -4.6632203 -6.5771766 -8.25366967 -4.81326368 -16.84218045 -20.3823763 -28.73738257 -23.47973159 -20.78758244 -13.8254126 -14.35746394 -38.22149447 -37.80590447 -87.13003393 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00258334-01 196715979 tox21-ror-cho-viability-p1 set2 4 3.08965857 1.39367955 0.50243101 -0.17513988 3.69494785 4.53719827 0.0836565 -4.92172112 1.04644393 1.48180762 -1.62229065 0.25120706 -0.11534586 0.05639818 0.86758773 1.156E-9 2.585E-9 5.78E-9 1.293E-8 2.8899999999E-8 6.463E-8 1.4449999999E-7 3.231E-7 7.225E-7 0.000001616 0.000003613 0.000008078 0.000018059999999 0.00004039 0.000090319999999 681-84-5 12682 144207978 D Tetramethyl orthosilicate CO[Si](OC)(OC)OC Tox21_200780 -NCGC00258772-01 196715566 tox21-ror-cho-viability-p1 set2 4 0.28356369 0.32877862 0.73405744 0.02657288 4.73714412 -1.81019898 -0.25854801 -0.23539744 2.5815771 0.19124519 0.18994026 5.66273952 -0.58685796 4.91458834 -0.31810253 1.196E-9 2.6749999999E-9 5.981E-9 1.337E-8 2.9899999999E-8 6.6869999999E-8 1.4949999999E-7 3.3429999999E-7 7.476E-7 0.0000016719999999 0.0000037379999999 0.0000083589999999 0.00001869 0.00004179 0.00009345 2743-38-6 75969 144208418 A A Dibenzoyl-L-tartaric acid O=C(O)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c2ccccc2)C(=O)O Tox21_201220 -NCGC00258545-01 196715964 tox21-ror-cho-viability-p1 set2 4 -0.34325072 0.14803944 -2.01383859 -0.42276429 -3.49493401 -1.24249462 -2.1287231 -5.24429356 -1.33940443 -0.57958828 -1.59209866 -1.68650062 -3.30764264 -0.40550609 0.55771716 1.155E-9 2.583E-9 5.775E-9 1.291E-8 2.8879999999E-8 6.457E-8 1.444E-7 3.2279999999E-7 7.2189999999E-7 0.000001614 0.0000036089999999 0.000008071 0.000018049999999 0.00004035 0.000090239999999 5131-58-8 21208 144208190 A A 4-Nitro-1,3-benzenediamine O=[N+]([O-])c1ccc(N)cc1N Tox21_200992 -NCGC00258351-01 196715969 tox21-ror-cho-viability-p1 set2 4 27.3060203028 -12.8597181439 1 -11.8597181439 4.9549173134 0.7157906146 0.0396309589 3.70756088 0.58746843 -1.36222278 0.38502198 -0.35799539 1.41381755 -1.14696355 -0.01926825 -0.44686637 0.29051534 0.40922483 2.43883393 4.94133957 -14.04976512 3.81851818 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 40601-76-1 93221 144207995 A Bc 1,3,5-Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)-1,3,5-triazinane-2,4,6-trione CC(C)(C)c4cc(C)c(CN3C(=O)N(Cc1c(C)c(O)c(cc1C)C(C)(C)C)C(=O)N(Cc2c(C)cc(c(O)c2C)C(C)(C)C)C3=O)c(C)c4O Tox21_200797 -NCGC00258076-01 196715982 tox21-ror-cho-viability-p1 set2 4 3.02762272 4.00184598 0.45470475 -0.80784307 -0.55231918 -5.17515991 0.04517882 0.81805853 1.23843638 0.50095889 1.22879744 3.25576512 0.94568119 0.52463048 0.10865459 1.1919999999E-9 2.6649999999E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004163 0.000093099999999 822-87-7 13203 144207720 A A 2-Chlorocyclohexanone O=C1CCCCC1Cl Tox21_200522 -NCGC00258592-01 196715985 tox21-ror-cho-viability-p1 set2 4 -1.08002032 -0.58917375 -2.56474682 2.16497703 -0.76996321 2.51301032 0.58861783 -1.66233575 -0.01856247 2.49407659 -0.77327953 -9.99715446 0.25770944 1.00121801 1.43788893 1.156E-9 2.586E-9 5.7819999999E-9 1.293E-8 2.891E-8 6.465E-8 1.446E-7 3.232E-7 7.228E-7 0.000001616 0.0000036139999999 0.000008081 0.000018069999999 0.0000404 0.000090349999999 145022-44-2 2758874 144208237 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate C[n+]1ccn(CC)c1.FC(F)(F)S([O-])(=O)=O Tox21_201039 -NCGC00257714-01 196716380 tox21-ror-cho-viability-p1 set2 3 89.9418484551 91.2529734258 -7.1375512852 84.1154221406 4.9549173134 0.5248173135 0.1560693786 2.87711347 0.98594867 1.08240663 3.36392945 4.07066471 -0.24655954 0.39907381 -0.49037615 2.45782512 2.23446103 -12.66998625 -19.82419369 -59.82786289 -23.81937352 65.71754329 1.479E-9 3.307E-9 7.396E-9 1.6539999999E-8 3.698E-8 8.269E-8 1.849E-7 4.134E-7 9.2449999999E-7 0.000002067 0.000004622 0.00001034 0.000023109999999 0.00005168 0.00011559999999 28961-43-5 115157 144207358 C Trimethylolpropane ethoxylate triacrylate O=C(OCCOCC(COCCOC(=O)C=C)(CC)COCCOC(=O)C=C)C=C Tox21_200160 -NCGC00255451-01 196727916 tox21-ror-cho-viability-p1 set3 -2.4 68.5896218971 -34.109924224 0.5 -33.609924224 4.9549173134 0.7230465901 0.0285858127 -0.84832064 -4.83422865 6.09800303 3.27116353 -1.81307301 -3.81560106 2.99801263 6.55728027 -1.82626552 -3.36099349 6.56784669 -7.37656912 4.13596078 1.03434922 -27.59160352 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 959-98-8 12309460 144211898 A Fns Endosulfan I ClC1=C(Cl)[C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)[C@H]2COS(=O)OC[C@H]23 Tox21_301581 -NCGC00255832-01 196727986 tox21-ror-cho-viability-p1 set3 4 2.3663708 -1.6579886 -1.20258939 -1.19397527 -1.59835244 -0.50472776 1.63151139 1.47901263 2.25896357 1.12373101 1.36995393 -2.8077893 -4.20170874 -0.24451952 0.44889887 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-13-4 2723631 144211708 A A N,N'-Dimethylthiourea CNC(=S)NC Tox21_301391 -NCGC00255392-01 196727994 tox21-ror-cho-viability-p1 set3 4 1.27827368 -7.43918987 2.83425077 10.28648757 -4.41086521 6.84635234 14.10587782 -1.95339522 -2.71126784 1.43333381 1.12743366 -1.93165874 -3.40036574 6.01887106 4.62409326 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56038-89-2 91984 144212127 A Fc N-(1-Ethylpropyl)-3,4-xylidine CCC(CC)Nc1cc(C)c(C)cc1 Tox21_301810 -NCGC00255501-01 196727996 tox21-ror-cho-viability-p1 set3 -1.1 13.6854287769 -84.073537057 1.3512938329 -82.7222432241 2.3331733767 0.990672978 5E-10 1.05996395 6.151948 -0.22673611 -0.99582711 -0.95591477 3.02998613 -2.04091114 0.02329393 2.17844527 -1.11485964 1.25523417 -12.74914401 -58.67933602 -77.3286928 -80.33511367 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-85-8 1730 144212178 A 4-Chloromercuribenzoic acid OC(=O)c1ccc([Hg]Cl)cc1 Tox21_301861 -NCGC00257065-01 196727498 tox21-ror-cho-viability-p1 set3 4 -0.10003762 0.96788955 -1.99253635 0.22129027 2.81364254 1.71621358 -0.20966047 1.18093974 -0.71217286 3.32630099 0.51241103 -0.46224908 1.7544275 2.59228408 0.4493813 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69-72-7 338 144213426 A A Salicylic acid OC(=O)c1ccccc1O Tox21_303109 -NCGC00256138-01 196727899 tox21-ror-cho-viability-p1 set3 4 0.24684614 -1.4261699 -3.41483542 -1.4907806 1.05819369 -1.01338553 4.51735613 -0.65491499 -0.24029191 2.21516644 2.77661772 -1.38089892 0.30242078 4.64841493 3.83265509 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 682-09-7 61196 144211979 A A 2,2-Bis[(prop-2-en-1-yloxy)methyl]butan-1-ol C=CCOCC(COCC=C)(CC)CO Tox21_301662 -NCGC00255896-01 196727913 tox21-ror-cho-viability-p1 set3 4 -0.53331894 -0.05198462 0.10225782 6.98837537 -1.41488365 -0.68368424 3.57193243 0.40641761 1.55176552 2.5065462 0.78472278 1.37117023 3.94131412 2.98739685 0.85197834 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14351-66-7 23678979 144212181 Cc Cc Sodium abietate [Na+].CC(C)C=3CC[C@H]1C(=CC[C@H]2[C@@](C)(CCC[C@]12C)C([O-])=O)C=3 Tox21_301864 -NCGC00256119-01 196727923 tox21-ror-cho-viability-p1 set3 4 1.75502091 -2.36791721 -3.54285276 -0.77150869 -0.24092621 -0.54782394 3.05291149 4.39883768 3.38803898 -2.97535158 1.84851305 -2.86860084 1.32822606 0.70927545 -0.21724931 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6378-25-2 80786 144212118 A Z 2,4,5-Trichlorobenzenesulfonic acid Clc1cc(c(Cl)cc1Cl)S(=O)(=O)O Tox21_301801 -NCGC00255552-01 196728316 tox21-ror-cho-viability-p1 set3 4 27.3060203028 -26.1743863 7.5 -18.6743863 0.6 0.7048084757 0.0360192565 0.80524898 13.57561738 2.63498758 14.67248571 10.74001739 4.23731985 2.73304781 4.39815158 6.62102212 2.90325877 2.71472262 -1.88755683 -4.52653199 -5.17165729 -12.22865525 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19932-84-4 29858 144211725 A A 6-Chloro-2,3-dihydrobenzoxazol-2-one Clc1ccc2NC(=O)Oc2c1 Tox21_301408 -NCGC00255444-01 196728322 tox21-ror-cho-viability-p1 set3 4 0.1995262315 -9.647867472 3 -6.647867472 4.9549173134 0.4534850673 0.2212052762 0 -0.26302317 5.11715433 6.0436794 -8.57727173 -7.78976188 -8.18326067 -9.77369755 -5.97330061 6.82595442 -7.9588785 -9.42560546 -7.74895219 -10.53988956 -2.82660437 1.178E-8 2.6339999999E-8 5.89E-8 1.317E-7 2.945E-7 6.5849999999E-7 0.0000014719999999 0.0000032919999999 0.000007362 0.00001646 0.00003681 0.00008231 0.00018409999999 0.0004116 0.00092029999999 34681-23-7 9571009 144212589 A A Butoxycarboxim CC(C(\C)=N\OC(=O)NC)S(C)(=O)=O Tox21_302272 -NCGC00091499-05 196728336 tox21-ror-cho-viability-p1 set3 4 3.73230217 0.91564727 5.35519757 4.40437147 -1.37155976 2.71451958 -1.99890514 -4.27508497 5.13753737 1.21665615 -2.78517214 12.30245499 2.88915003 2.24610372 3.34930989 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00255661-01 196728337 tox21-ror-cho-viability-p1 set3 4 0.0611305649 -6.3613226559 -0.5 -6.8613226559 4.9549173134 0.3908466122 0.2813911828 2.2997328 2.05130533 -3.78226821 -1.96266963 -1.16851719 -3.60952408 -9.6604793 -13.21776888 -3.13614072 -7.98522096 -9.10380568 -6.71086981 3.51251056 -9.10933618 -7.14807331 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51803-78-2 4495 144212167 A A Nimesulide [O-][N+](=O)c2cc(Oc1ccccc1)c(cc2)NS(C)(=O)=O Tox21_301850 -NCGC00254654-01 196720718 tox21-ror-cho-viability-p1 set3 -1.1 2.1689942904 -69.2449854738 -5.831637659 -75.0766231328 2.7202212143 0.9834554413 1.58E-8 -7.30329237 -7.07962215 -9.26966021 -11.45344183 -5.70309359 -8.87066518 0.93061443 -0.84838238 -5.14265411 -33.36109896 -58.86833331 -76.70237743 -77.38576216 -76.78280024 -69.59690222 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-65-7 4477 144211066 A Ac Niclosamide Clc2cc(ccc2NC(=O)c1cc(Cl)ccc1O)[N+]([O-])=O Tox21_300749 -NCGC00256598-01 196707337 tox21-ror-cho-viability-p1 set1 4 0.89319087 -2.1628059 -1.23117485 0.2282372 -3.74162513 0.63225936 -0.36712946 -2.4854156 -0.16662345 -1.04430745 -2.66831568 -0.26319478 0.32393943 -1.72171819 -2.88449774 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-33-1 6635 144213059 A A Chlorfenson Clc1ccc(cc1)S(=O)(=O)Oc2ccc(Cl)cc2 Tox21_302742 -NCGC00256513-01 196707344 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -35.019960608 2 -33.019960608 4.9549173134 0.8830986216 0.0006972976 3.39633287 -0.27655265 4.16890226 0.73637439 1.21776093 -0.96967291 6.8518378 -1.6734154 6.6574184 1.36586494 -1.61146181 2.9819645 3.52308254 -0.44049514 -26.26663384 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 443-48-1 4173 144213111 A A Metronidazole Cc1ncc([N+]([O-])=O)n1CCO Tox21_302794 -NCGC00090858-02 196707351 tox21-ror-cho-viability-p1 set1 4 0.7500677 1.58139896 2.23222114 1.04617852 1.33033842 1.02819815 9.73160336 4.08103567 6.30516949 0.56789705 1.79758477 6.50998619 4.94223638 3.05841972 5.48109452 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00254562-01 196720295 tox21-ror-cho-viability-p1 set3 4 0.0043277126 17.6550828681 -19.03395702 -1.3788741519 0.3 0.5081264505 0.1719951743 -10.94716349 -15.86163085 -7.12248436 -2.6026106 -13.65870082 -6.36056797 -4.87754715 -6.2594007 -6.83615152 -0.31572846 -2.01769415 -1.87366016 -6.05947191 -3.69047932 -0.5478865 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 454-92-2 9963 144210971 A A 3-(Trifluoromethyl)benzoic acid FC(F)(F)c1cccc(c1)C(=O)O Tox21_300654 -NCGC00254946-01 196720299 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -17.75294292 -0.5 -18.25294292 3.2474983358 0.3938978478 0.2781611163 -0.3703276 -3.57605741 -2.2141248 14.25703159 -1.30582286 -3.52174331 0 0.60102986 -2.32352132 -0.66262748 -2.48134074 -1.58484929 -2.37794437 -3.06941532 -13.5441191 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 28434-00-6 62829 144211361 A A S-Bioallethrin O=C2C[C@H](OC(=O)[C@@H]1[C@@H](/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_301044 -NCGC00255095-01 196720717 tox21-ror-cho-viability-p1 set3 4 3.50038463 6.05616905 4.39204635 1.41130588 4.77938193 13.1108736 10.49843956 6.56963842 14.29345297 15.85103999 11.00624269 11.44680143 -2.25123365 9.28712831 8.50556794 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18479-51-1 86749 144211515 A A 3,7-Dimethyloct-6-en-3-ol CCC(C)(O)CC\C=C(\C)C Tox21_301198 -NCGC00259963-01 196721103 tox21-ror-cho-viability-p1 set3 4 -6.85067639 -2.10107083 -1.27115383 0.57391669 -2.5827884 -5.46907814 -5.16438316 -6.14036526 -2.29648148 -2.99671572 -4.20281453 -6.26877636 -6.09889666 -3.81517303 -5.8973463 1.195E-9 2.6729999999E-9 5.9769999999E-9 1.336E-8 2.988E-8 6.682E-8 1.494E-7 3.341E-7 7.4709999999E-7 0.000001671 0.000003735 0.000008353 0.000018679999999 0.000041759999999 0.00009339 637-07-0 2796 144209612 Z Z Clofibrate Clc1ccc(OC(C)(C)C(=O)OCC)cc1 Tox21_202414 -NCGC00259689-01 196721110 tox21-ror-cho-viability-p1 set3 4 -7.91115931 -2.92920499 -4.15629409 2.39357837 -9.739285 -4.21916198 -11.01310949 -4.43543763 -5.41706907 -3.17126913 -5.78645326 -6.07456099 -7.6347903 4.05669864 -4.60963422 1.195E-9 2.671E-9 5.974E-9 1.336E-8 2.987E-8 6.679E-8 1.493E-7 3.3389999999E-7 7.467E-7 0.0000016699999999 0.000003733 0.000008348 0.00001867 0.00004174 0.00009334 86-73-7 6853 144209338 A A Fluorene c1cccc2Cc3ccccc3c12 Tox21_202140 -NCGC00259588-01 196721118 tox21-ror-cho-viability-p1 set3 -3 65.9476500505 -98.5468428203 -4.1857363949 -102.7325792152 4.9549173134 0.9619917822 0.0000018415 -8.52477475 -6.7668535 -3.37015685 6.67280407 -7.46342144 -3.65779988 -5.63836978 -6.53425938 -9.14162876 -4.44763883 -6.07150676 -3.04300693 -5.57201761 -5.26844483 -85.18455988 1.142E-9 2.553E-9 5.7099999999E-9 1.277E-8 2.8549999999E-8 6.383E-8 1.4269999999E-7 3.1919999999E-7 7.1369999999E-7 0.000001596 0.000003568 0.000007979 0.00001784 0.000039899999999 0.00008921 473-55-2 10129 144209237 FNS Pinane CC2(C)C1CC2C(C)CC1 Tox21_202039 -NCGC00259331-01 196721120 tox21-ror-cho-viability-p1 set3 4 22.4420447538 8.172603172 -5.172603172 3 4.9549173134 0.6202599069 0.0839407275 -7.51028158 -3.85056329 -3.51213519 0.46388701 -4.55994692 -6.23596943 -9.72716931 -4.85202821 -6.44069906 -4.08768713 -5.13521744 -4.99076055 -2.31434815 3.37298952 2.44170292 1.214E-9 2.715E-9 6.0709999999E-9 1.357E-8 3.035E-8 6.787E-8 1.518E-7 3.394E-7 7.588E-7 0.000001697 0.000003794 0.000008484 0.00001897 0.00004242 0.000094849999999 61-82-5 1639 144208980 A A Amitrole Nc1ncnn1 Tox21_201782 -NCGC00259498-01 196721125 tox21-ror-cho-viability-p1 set3 4 -18.45453745 -17.29083304 -7.66857473 -7.52032924 -13.97855989 -23.1317741 -14.77862051 -13.51513826 -12.19808428 -11.62182677 -9.98309843 -14.29092404 -12.5308895 -9.70514359 -17.70430296 1.182E-9 2.6429999999E-9 5.91E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.304E-7 7.387E-7 0.0000016519999999 0.000003693 0.000008259 0.000018469999999 0.00004129 0.00009234 934-32-7 13624 144209147 A A 2-Aminobenzimidazole Nc1nc2ccccc2n1 Tox21_201949 -NCGC00090942-03 196718434 tox21-ror-cho-viability-p1 set2 -2.1 61.130564862 -88.5556218232 -4.553302158 -93.1089239812 3.1924983358 0.9715741823 3.573E-7 -4.80957343 -5.45237414 -0.87252542 -10.6134065 -5.33172372 -9.24878455 -5.89227621 1.20807917 -4.95884352 -4.99104731 0.30999131 -3.19060878 -4.64561629 -24.6487754 -74.32494241 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00256582-01 196718445 tox21-ror-cho-viability-p1 set2 3 66.9189936076 53.3315297582 0.3478492334 53.6793789916 4.5044702849 0.9769046709 1.091E-7 -0.08405062 0.66739453 -1.42920119 -2.60666457 0.16252397 0.93049351 0.79276955 0.52225613 4.28950831 0.42002761 1.52390875 -2.80880379 0.62070723 4.90048456 42.82292058 1.156E-9 2.585E-9 5.781E-9 1.293E-8 2.8899999999E-8 6.463E-8 1.4449999999E-7 3.232E-7 7.226E-7 0.000001616 0.000003613 0.000008079 0.000018069999999 0.00004039 0.00009033 1465-25-4 15106 144213100 A C N-(1-Naphthyl)ethylenediamine dihydrochloride Cl.Cl.NCCNc2cccc1ccccc12 Tox21_302783 -NCGC00257144-01 196718441 tox21-ror-cho-viability-p1 set2 4 1.44971515 1.1942994 1.21727774 3.54254501 -1.19599698 4.97128445 -0.50591006 2.85262271 2.77593876 3.2128725 7.06367369 1.59220802 1.17146786 0.11261151 0.95852524 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-90-5 7355 144213470 A F Ethylene glycol dimethacrylate O=C(OCCOC(=O)C(=C)C)C(=C)C Tox21_303153 -NCGC00257225-01 196718443 tox21-ror-cho-viability-p1 set2 4 12.7339382989 -10.1754833879 0 -10.1754833879 1.3437170999 0.5591299218 0.1297812716 -1.2954981 -0.89620463 -0.33434731 0.41067336 0.28452454 5.59919997 -5.6265027 -1.34377841 0.04801694 1.23801414 -0.92594425 -2.07532696 -3.10855453 -6.03369243 -8.47956949 4.686E-10 1.048E-9 2.343E-9 5.239E-9 1.1709999999E-8 2.619E-8 5.8569999999E-8 1.31E-7 2.929E-7 6.549E-7 0.0000014639999999 0.000003274 0.0000073219999999 0.00001637 0.00003661 379-79-3 9787 144213499 I I Ergotamine D-tartrate O=C(O)[C@H](O)[C@@H](O)C(=O)O.CN2C[C@@H](C=C1c3cccc4ncc(C[C@H]12)c34)C(=O)N[C@]5(C)O[C@]8(O)N(C5=O)[C@@H](Cc6ccccc6)C(=O)N7CCC[C@H]78.CN2C[C@@H](C=C1c3cccc4ncc(C[C@H]12)c34)C(=O)N[C@]8(C)O[C@]7(O)N([C@@H](Cc5ccccc5)C(=O)N6CCC[C@H]67)C8=O Tox21_303182 -NCGC00091650-03 196718447 tox21-ror-cho-viability-p1 set2 -2.4 76.9588215421 -30.65479002 -2.5 -33.15479002 4.4494702849 0.8447111832 0.0026522841 -3.5825548 -2.31627592 -2.41632041 -0.75492488 -7.76598969 -7.70994388 -2.46910454 -1.65444501 -2.16757811 -1.54024341 -3.18387193 1.51193518 -1.28928489 -4.25271789 -24.29565835 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00256622-01 196718451 tox21-ror-cho-viability-p1 set2 4 -6.35672526 -5.98253741 3.05698216 3.49491767 -3.68727939 -0.8580702 2.71946152 -3.80689593 -6.97808029 -5.9526571 -5.24598852 -4.90747624 -4.37036004 2.1758316 -4.24984421 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-78-7 5365976 144212780 A A Allyl Ionone CC1(C)CCC=C(C)C1/C=C/C(=O)CCC=C Tox21_302463 -NCGC00015060-14 196718867 tox21-ror-cho-viability-p1 set2 4 48.2616000528 14.9477959121 0.0522040879 15 3.5117481694 0.7321795161 0.0255237928 0.69441846 1.18900423 -0.03229864 0.00591435 0.08638961 0.60983977 0.58562206 5.50371209 -0.17396027 -0.61342944 -0.90816478 -5.37316326 -2.25657202 5.490047 13.74513455 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00257193-01 196719292 tox21-ror-cho-viability-p1 set2 4 -1.6324447 -1.20587732 -0.63137687 0.69526708 -2.53352621 -1.5496811 -1.03942408 -1.45975146 1.12715728 1.3601074 0.03336879 2.44744138 -0.24312862 0.28186382 0.36069702 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81-20-9 6672 144213654 F A 1,3-Dimethyl-2-nitrobenzene Cc1cccc(C)c1[N+](=O)[O-] Tox21_303337 -NCGC00164077-02 196719297 tox21-ror-cho-viability-p1 set2 4 0.12907122 -0.1659847 0.83176337 1.09710964 1.28608392 2.30304223 0.96353021 5.11124689 1.26827394 0.47540507 6.77992452 3.70824442 5.11573954 -0.02443089 -5.96949005 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00257460-01 196719313 tox21-ror-cho-viability-p1 set2 4 1.0860051 -0.74170631 0.70174494 1.20335279 1.12846424 -0.27957485 0.81830931 4.20288204 0.12857175 0.18925813 4.3507262 -0.71099636 -0.09326165 1.46074056 -0.01057386 8.376E-10 1.873E-9 4.188E-9 9.365E-9 2.094E-8 4.682E-8 1.0469999999E-7 2.3409999999E-7 5.2349999999E-7 0.0000011709999999 0.0000026179999999 0.000005853 0.00001309 0.00002927 0.00006544 112809-51-5 3902 144213877 C C Letrozole N#Cc1ccc(cc1)C(c2ccc(C#N)cc2)n3cncn3 Tox21_303572 -NCGC00254557-01 196719717 tox21-ror-cho-viability-p1 set3 4 -1.56888691 0.83387509 -3.95084237 -5.88087248 2.82499509 1.1397729 -3.2964188 -2.30456501 2.6456683 4.63996287 2.01788638 0.91967892 0.2857426 -3.86776666 -0.19918802 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 1076-97-7 14106 144210966 I I 1,4-Cyclohexanedicarboxylic acid OC(=O)C1CCC(CC1)C(=O)O Tox21_300649 -NCGC00255461-01 196728405 tox21-ror-cho-viability-p1 set3 4 -4.95611474 -0.90544101 -0.92809833 2.65933865 0.92660762 0.21361981 4.28050132 2.62461396 0.31517293 1.66551565 2.90559287 -2.97009335 -1.22500553 1.44868837 0.15083107 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76674-21-0 91727 144211655 A A Flutriafol OC(Cn1cncn1)(c2ccccc2F)c3ccc(F)cc3 Tox21_301338 -NCGC00255112-01 196728393 tox21-ror-cho-viability-p1 set3 4 0.25800185 -0.47552578 -3.72806624 -1.82904056 0.10292012 4.21822393 5.05520541 1.66838136 5.39509526 -2.63381365 -0.07559539 -0.83207705 2.59386356 -5.59948331 0.97280968 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 815-17-8 13150 144211771 A A 3,3-Dimethyl-2-oxobutyric acid CC(C)(C)C(=O)C(=O)O Tox21_301454 -NCGC00255544-01 196728394 tox21-ror-cho-viability-p1 set3 4 4.04626651 7.94344869 4.13264499 3.08278447 7.43279829 4.18552635 2.76214451 4.19477978 2.81971607 3.25186286 2.14591039 2.47995491 3.12757381 3.29193069 0.11737834 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-50-0 7389 144211760 A A (4-Aminophenyl)arsonic acid O=[As](O)(O)c1ccc(N)cc1 Tox21_301443 -NCGC00255227-01 196728401 tox21-ror-cho-viability-p1 set3 4 13.6854287769 -19.171424528 0 -19.171424528 0.6 0.8429752313 0.0027948421 1.30450605 0.15039511 -2.15311067 -0.19868841 -0.82363717 -1.14332028 0.93276842 -2.43860972 -4.84077698 -1.92049404 -4.12527089 -11.99001079 -11.35060506 -8.14500007 -16.80952044 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 36505-84-7 2477 144212688 A A Buspirone O=C4CC1(CCCC1)CC(=O)N4CCCCN2CCN(CC2)c3ncccn3 Tox21_302371 -NCGC00255953-01 196728410 tox21-ror-cho-viability-p1 set3 4 24.3365162115 15.0073925 -8.5073925 6.5 3.0654483358 0.5234116354 0.1578913702 -2.08216953 -3.07917512 -14.58949375 -4.04852234 -1.88891833 -13.46698072 -14.5872698 -9.5176789 -11.15556996 -11.77549571 -11.40887771 -4.19329576 -7.04120513 6.86332914 4.24458485 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-04-9 7119 144212460 A A 2-Methoxynaphthalene COc1ccc2ccccc2c1 Tox21_302143 -NCGC00255671-01 196728413 tox21-ror-cho-viability-p1 set3 4 13.6854287769 20.8031051319 -1.3031051319 19.5 2.7202212143 0.8515829888 0.0033398054 2.67638668 -1.51620799 1.02345299 1.85884041 -5.25258761 -1.54852191 -4.85359566 1.96348783 -4.44578311 -3.98089581 0.87364136 2.37360779 13.23561556 18.7887501 3.51565781 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2554-06-5 75706 144211844 A 1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane C[Si]1(O[Si](C)(O[Si](C)(O[Si](C)(O1)C=C)C=C)C=C)C=C Tox21_301527 -NCGC00255816-01 196728415 tox21-ror-cho-viability-p1 set3 4 2.85498603 -4.46797766 -0.28491691 -2.49432771 2.20999798 -1.66255763 2.80415812 2.93596668 2.99184971 1.61041742 3.61638507 -4.23655953 0.18616936 4.80279051 0.02074929 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-63-1 66623 144212395 2,4-Diaminobenzenesulfonic acid Nc1cc(N)ccc1S(O)(=O)=O Tox21_302078 -NCGC00160537-04 196728825 tox21-ror-cho-viability-p1 set3 4 3.97843605 4.93003947 3.57948131 7.76996215 11.29552027 9.5055823 -0.30461049 10.04399079 -4.74807929 -1.96958967 8.3874361 -6.03907924 -3.36780988 8.10871886 0.53342329 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00091278-03 196728830 tox21-ror-cho-viability-p1 set3 4 61.130564862 -23.1944166599 2 -21.1944166599 2.6384283767 0.5840613091 0.1087931208 -1.60480469 12.46164299 -1.37310059 7.6850413 6.43455733 -1.74410012 -1.00771682 2.80851026 -0.08564711 0.98001368 1.86825638 0.57483885 -0.55216179 -3.35196515 -15.57868055 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00257805-01 196729239 tox21-ror-cho-viability-p1 set3 4 -1.69540308 -5.5989653 0.55677455 -0.13386555 -3.55953975 0.70618311 -1.92455695 -3.81170255 -1.28172283 -1.42927253 -0.28032354 -7.50525203 -1.42232072 -0.81131671 -0.8393166 1.1859999999E-9 2.653E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001854 0.00004145 0.00009268 5464-79-9 21622 144207449 A A 2-Amino-4-methoxybenzothiazole COc1cccc2sc(N)nc12 Tox21_200251 -NCGC00258382-01 196729242 tox21-ror-cho-viability-p1 set3 4 -1.34365264 2.9495355 2.73376823 0.91575911 -1.12094136 2.6705781 1.52192557 -0.75570605 1.40226126 6.90888285 1.66292744 1.50057289 -0.88855718 -0.21944535 -0.47666873 1.202E-9 2.687E-9 6.0089999999E-9 1.344E-8 3.0039999999E-8 6.718E-8 1.5019999999E-7 3.359E-7 7.511E-7 0.0000016799999999 0.0000037559999999 0.000008398 0.00001878 0.00004199 0.00009389 1338-24-5 20849290 144208026 FNS Naphthenic acids OC(=O)CCC1CCC(C1)CC Tox21_200828 -NCGC00258131-01 196729248 tox21-ror-cho-viability-p1 set3 4 38.5707788719 8.983124956 -1.983124956 7 0.9999999999 0.5139909484 0.1691053507 -1.01822529 -5.40260413 -1.65631812 1.42293624 -2.5701145 -3.05155839 0.58757961 -5.09994912 -3.84461324 -1.24077824 0.07830934 -1.09252125 2.5245218 0.65635286 5.18950926 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 65039-09-0 2734160 144207775 A A 1-Ethyl-3-methylimidazolium chloride [Cl-].C[n+]1ccn(CC)c1 Tox21_200577 -NCGC00090776-02 196708160 tox21-ror-cho-viability-p1 set1 4 6.53178786 0.87159796 3.53500966 -0.15218453 1.63910396 6.18337486 -0.14609791 6.29612833 1.21602294 -0.70983154 1.98028678 -0.1945411 5.93676013 1.25679434 2.02428669 1.164E-9 2.6039999999E-9 5.822E-9 1.302E-8 2.911E-8 6.509E-8 1.4549999999E-7 3.255E-7 7.2769999999E-7 0.0000016269999999 0.000003639 0.000008136 0.00001819 0.00004068 0.000090969999999 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00257255-01 196707750 tox21-ror-cho-viability-p1 set1 4 76.9588215421 14.4696318 -1.4696318 13 4.9549173134 0.4807564061 0.1968946742 -4.11246519 -5.8080265 -1.91400166 0.44537189 6.51710988 -1.24168785 -1.43767731 -0.50881595 -4.75798541 -0.03896808 -1.94999156 -0.47925526 -0.1620127 -5.51819801 10.37131973 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2943-75-1 76262 144213951 F Triethoxyoctylsilane CCO[Si](OCC)(OCC)CCCCCCCC Tox21_303648 -NCGC00256768-01 196707766 tox21-ror-cho-viability-p1 set1 4 0.32068467 1.78861033 1.93512794 -19.2244695 2.66118667 2.71104769 -1.66189183 -19.98791693 -1.74799592 0.15600751 -9.61187108 3.33377905 -1.3078477 2.42802998 3.04126455 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15619-48-4 85025 144212945 A A 1-Benzylquinolinium chloride [Cl-].c2cccc3ccc[n+](Cc1ccccc1)c23 Tox21_302628 -NCGC00257080-01 196707767 tox21-ror-cho-viability-p1 set1 4 1.10023952 2.12037504 0.92144831 0.28649539 -8.56411118 2.44436855 1.54245245 1.40513626 4.09614145 3.09049547 1.45895073 1.96357707 -0.46641906 -0.24803989 -0.66790756 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 122-52-1 31215 144213400 F F Triethyl phosphite CCOP(OCC)OCC Tox21_303083 -NCGC00256663-01 196708171 tox21-ror-cho-viability-p1 set1 4 1.09062001 -0.80333242 -1.95179254 0.46548275 -2.43348207 -7.73334532 -1.95597774 4.76050737 -1.91778969 -8.34387065 -4.76488371 -15.34088362 -10.40128378 5.56047206 -8.88582271 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-48-5 31211 144212810 A A 4-(4-Hydroxy-3-methoxyphenyl)-2-butanone Oc1ccc(cc1OC)CCC(C)=O Tox21_302493 -NCGC00090701-06 196708173 tox21-ror-cho-viability-p1 set1 4 0.22239434 3.00817661 0.00049465 1.12128911 0.46934348 0.38919145 2.8499652 0.71815659 0.68647013 0.13802073 1.14414153 0.21725066 -0.06422168 0.61995402 -2.68283251 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00259778-01 196708992 tox21-ror-cho-viability-p1 set2 -1.2 4.3629449052 -50.7205117605 2.1834304125 -48.537081348 1.826479391 0.9267445268 0.0001346822 5.88382396 -0.81034654 4.01114003 0.55897489 0.11835894 3.50761652 -0.54270306 0.85596482 -1.01355826 -0.5658401 -15.49170301 -45.74488154 -32.0075989 -50.44756779 -11.96460146 1.188E-9 2.657E-9 5.941E-9 1.3279999999E-8 2.971E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016609999999 0.000003713 0.000008303 0.00001857 0.000041509999999 0.000092829999999 10108-64-2 24633 144209427 Cadmium chloride [Cd+2].[Cl-].[Cl-] Tox21_202229 -NCGC00091468-02 196709002 tox21-ror-cho-viability-p1 set2 4 8.08948252 0.98306038 -0.67847364 0.95536477 1.26029397 0.17875813 0 0.52695896 0.21375451 -0.81112473 -1.86046187 2.33751426 0.21349806 5.9041699 0.31260376 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00259042-01 196709013 tox21-ror-cho-viability-p1 set2 4 -0.1316473 -2.63090757 0.16282566 0.53189334 0.25976207 -2.3510671 1.09421655 -0.25343289 -3.26802079 -0.34312439 0.86212941 -1.96069222 -4.33045249 -0.1791552 1.73090385 1.182E-9 2.6429999999E-9 5.91E-9 1.322E-8 2.955E-8 6.608E-8 1.4779999999E-7 3.304E-7 7.388E-7 0.0000016519999999 0.0000036939999999 0.0000082599999999 0.000018469999999 0.000041299999999 0.00009235 24468-13-1 62783 144208689 D Carbonochloridic acid, 2-ethylhexyl ester O=C(Cl)OCC(CCCC)CC Tox21_201491 -NCGC00259896-01 196709412 tox21-ror-cho-viability-p1 set2 4 3.8135698 3.13616971 4.40332752 4.22871283 -1.44032135 0.21854729 0.18813317 0.05197003 -1.31904479 -0.15188124 3.8082469 1.94995624 5.05451021 -1.58687057 0.7745622 1.19E-9 2.6619999999E-9 5.9519999999E-9 1.331E-8 2.976E-8 6.655E-8 1.4879999999E-7 3.3269999999E-7 7.44E-7 0.0000016639999999 0.00000372 0.000008319 0.0000186 0.00004159 0.000093 93-15-2 7127 144209545 A A Methyleugenol COc1cc(ccc1OC)CC=C Tox21_202347 -NCGC00259874-01 196721525 tox21-ror-cho-viability-p1 set3 -1.3 6.2500769062 -98.0615487139 -3.1032486194 -101.1647973333 2.3331733767 0.992727086 0.0981463717 -4.7695373 0.66240096 1.65455266 1.87053899 -7.15724426 -4.91595383 -3.52780379 -6.64904289 -7.28477207 -5.6833205 -26.79378614 -58.74563235 -11.81609854 -101.57108166 -99.87946803 1.202E-9 2.688E-9 6.0109999999E-9 1.344E-8 3.006E-8 6.721E-8 1.503E-7 3.36E-7 7.5139999999E-7 0.0000016799999999 0.0000037569999999 0.000008401 0.000018789999999 0.00004201 0.00009393 6317-18-6 22772 144209523 A A Methylene bis(thiocyanate) N#CSCSC#N Tox21_202325 -NCGC00260006-01 196721515 tox21-ror-cho-viability-p1 set3 4 -5.83369065 -4.58732474 -2.85840604 -8.24602276 -0.62438124 -0.72879673 -0.81169928 -2.11209048 -1.93491884 2.59219584 -5.61847976 -2.99615457 -5.59972976 1.20973708 -1.90735865 1.196E-9 2.674E-9 5.9789999999E-9 1.337E-8 2.9899999999E-8 6.685E-8 1.4949999999E-7 3.3419999999E-7 7.4739999999E-7 0.000001671 0.000003737 0.000008356 0.000018679999999 0.000041779999999 0.00009342 1118-46-3 14236 144209655 A Butyltin trichloride CCCC[Sn](Cl)(Cl)Cl Tox21_202457 -NCGC00259473-01 196721522 tox21-ror-cho-viability-p1 set3 2.4 1.3629778124 23.2739411079 -13.7739411079 9.5 0.4 0.8392545694 0.0030917013 -13.14782613 -14.81161759 -9.99961068 -4.99877038 -9.87977355 -13.59525987 -6.9644272 -4.19099459 -0.27713579 -6.7351245 1.73265379 2.79960325 2.99979834 3.9679092 6.17181787 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.2869999999E-7 7.351E-7 0.0000016439999999 0.0000036749999999 0.000008218 0.000018379999999 0.00004109 0.00009188 67-20-9 4509 144209122 A A Nitrofurantoin O=[N+]([O-])c2ccc(/C=N/N1CC(=O)NC1=O)o2 Tox21_201924 -NCGC00258835-01 196721746 tox21-ror-cho-viability-p1 set3 4 0.5570386906 23.051983544 -17.051983544 6 0.2 0.5232749088 0.1583752426 -10.71964804 -15.04331962 -11.03459512 -7.20298047 -8.8420447 -6.70945259 -1.46619816 -7.00899861 -7.75370946 -3.19650325 -10.20172496 1.5032551 -8.10853981 3.65008171 1.47716061 1.202E-9 2.688E-9 6.0109999999E-9 1.344E-8 3.005E-8 6.7199999999E-8 1.503E-7 3.36E-7 7.5129999999E-7 0.0000016799999999 0.0000037569999999 0.0000084 0.00001878 0.000042 0.00009392 3165-93-3 18487 144208481 A A 4-Chloro-2-methylaniline hydrochloride Cl.Cc1cc(Cl)ccc1N Tox21_201283 -NCGC00260003-01 196721727 tox21-ror-cho-viability-p1 set3 -2.4 77.585350921 -29.856051436 -3.94887996 -33.804931396 1.21 0.7649666812 0.0153960751 -7.42106895 -5.35031422 -1.8122636 -2.43249567 -5.92162971 -0.7907333 -2.34422539 -2.3585317 -8.37855384 -3.29421111 -4.04221613 -6.49373772 -8.01911101 -7.98419781 -24.83744283 1.188E-9 2.657E-9 5.942E-9 1.3289999999E-8 2.971E-8 6.6429999999E-8 1.4849999999E-7 3.3219999999E-7 7.427E-7 0.0000016609999999 0.000003714 0.000008304 0.00001857 0.00004152 0.00009284 6846-50-0 23284 144209652 A A 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate O=C(OC(C(C)C)C(C)(C)COC(=O)C(C)C)C(C)C Tox21_202454 -NCGC00259316-01 196721731 tox21-ror-cho-viability-p1 set3 4 -7.34435762 -6.63570172 -4.76069788 4.07659134 -2.98494521 -6.18469463 -5.32008425 -5.71147541 -5.87572363 -2.1221089 -4.56380803 -5.39908467 -4.06978926 -0.20250947 -1.04181447 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003707 0.0000082899999999 0.00001854 0.00004145 0.00009268 298-81-7 4114 144208965 A A 8-Methoxypsoralen COc1c3occc3cc2C=CC(=O)Oc12 Tox21_201767 -NCGC00259248-01 196721736 tox21-ror-cho-viability-p1 set3 4 30.8872845316 10.94100174 -4.94100174 6 3.0654483358 0.6115338911 0.0895003189 -6.07503011 -4.08718602 -2.66965431 -9.78957025 -3.83954006 -11.61750145 -3.23222539 -4.04892734 -3.87299085 -1.42546217 -4.62955741 -3.23095474 -3.90187861 2.87626655 5.89399128 1.188E-9 2.657E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.641E-8 1.4849999999E-7 3.321E-7 7.425E-7 0.0000016599999999 0.000003713 0.000008302 0.00001856 0.000041509999999 0.00009282 629-76-5 12397 144208897 A Ac 1-Pentadecanol CCCCCCCCCCCCCCCO Tox21_201699 -NCGC00259798-01 196721749 tox21-ror-cho-viability-p1 set3 4 -0.16259641 -15.62276781 -9.63451553 -1.64183211 -10.13208377 1.63167683 1.53142304 -9.16216074 1.43706713 1.55146592 0.45157229 2.37746355 -7.24781277 -8.33130354 -0.83074836 1.202E-9 2.688E-9 6.0109999999E-9 1.344E-8 3.006E-8 6.721E-8 1.503E-7 3.36E-7 7.5139999999E-7 0.0000016799999999 0.0000037569999999 0.000008401 0.000018789999999 0.00004201 0.00009393 57-06-7 5971 144209447 D Allyl isothiocyanate C=CC\N=C=S Tox21_202249 -NCGC00259573-01 196722131 tox21-ror-cho-viability-p1 set3 2.1 24.4107820745 204.850984416 -16.5639420982 188.2870423178 4.9549173134 0.8293474038 0.0059051601 -7.08622107 1.07244259 -0.81589276 0.00863784 -7.25108481 -5.33845106 -5.92005077 -5.25814345 -7.75273834 -20.39353322 -83.65863754 -46.96800111 23.21102811 174.26881769 31.16958069 1.183E-9 2.6459999999E-9 5.916E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3069999999E-7 7.395E-7 0.0000016539999999 0.0000036979999999 0.000008268 0.000018489999999 0.00004134 0.000092439999999 3524-68-3 19042 144209222 D Pentaerythritol triacrylate O=C(C=C)OCC(COC(=O)C=C)(CO)COC(=O)C=C Tox21_202024 -NCGC00259045-01 196722139 tox21-ror-cho-viability-p1 set3 4 -5.88662369 -3.09747709 -3.10098125 -4.39289558 -6.73693629 -4.33080852 -2.83000087 -6.81513221 -0.49879826 -1.90588312 -3.10214019 -6.27343314 -2.17508426 -1.28422006 -2.68494942 1.1689999999E-9 2.615E-9 5.8469999999E-9 1.3069999999E-8 2.9239999999E-8 6.537E-8 1.462E-7 3.269E-7 7.309E-7 0.0000016339999999 0.0000036539999999 0.0000081709999999 0.00001827 0.00004086 0.000091359999999 106-91-2 7837 144208692 A A Glycidyl methacrylate CC(=C)C(=O)OCC1CO1 Tox21_201494 -NCGC00254444-01 196720144 tox21-ror-cho-viability-p1 set3 4 8.57183572 1.04651877 9.36333689 8.72664709 8.79572394 15.94890673 7.4035749 -1.86361142 6.42867884 -1.1284399 -3.7587006 8.31401655 6.69385996 5.46650203 -3.92608275 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2176-62-7 16584 144210689 Pentachloropyridine Clc1c(Cl)c(Cl)nc(Cl)c1Cl Tox21_300371 -NCGC00254002-01 196719726 tox21-ror-cho-viability-p1 set3 4 1.5355303643 11.721296852 -9.721296852 2 0.6999999999 0.5197699451 0.1612349111 0 -15.53018534 -9.25521061 -7.70629391 -16.85108071 -9.47301655 -7.13973174 -2.02761966 -4.14418011 -7.26829615 -2.08983808 -0.04486675 -0.08512479 0.64107003 2.14896738 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-49-0 7813 144210488 A Fc 4-Methylaniline Cc1ccc(N)cc1 Tox21_300168 -NCGC00255040-01 196720134 tox21-ror-cho-viability-p1 set3 4 -3.34700719 -4.09439025 2.63492592 -4.22811589 -4.17911544 -3.07729336 1.70790707 -3.58751137 -1.76291513 -3.67322317 6.41898037 -4.50296209 -4.24280269 0.75326992 -2.84348688 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3011-89-0 2075 144211459 A A 2-Chloro-4-nitrobenzamide O=C(N)c1ccc(cc1Cl)[N+]([O-])=O Tox21_301142 -NCGC00254086-01 196720142 tox21-ror-cho-viability-p1 set3 4 -0.77568851 8.0425432 0.26766435 2.92302927 1.4161345 0.51850219 -1.7753835 4.533613 -1.56776617 -1.70658795 -1.61856919 5.55798685 5.25976243 5.49637615 2.58623608 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1300-72-7 23668192 144210392 Ac Ac Sodium xylenesulfonate [Na+].Cc1ccc(cc1C)S(=O)([O-])=O Tox21_300072 -NCGC00254105-01 196720545 tox21-ror-cho-viability-p1 set3 4 8.27004356 0.35881126 11.28054611 10.80368051 11.49560134 -3.67633846 -0.2280576 -4.75358275 -5.0094592 9.74970841 8.30572381 11.36483826 11.28186981 4.2215006 0.46692011 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 87-62-7 6896 144210375 A A 2,6-Dimethylaniline Cc1cccc(C)c1N Tox21_300055 -NCGC00254088-01 196720547 tox21-ror-cho-viability-p1 set3 4 3.14461029 1.04772887 2.54324716 3.28438802 -1.18044147 2.48949843 -5.51368073 1.7754988 3.5858116 2.98376844 0.40833877 -1.04291598 0.22813505 -0.98108338 5.43230625 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-43-3 7986 144210474 A A Dibutyl decanedioate O=C(CCCCCCCCC(=O)OCCCC)OCCCC Tox21_300154 -NCGC00186006-03 196697595 tox21-ror-cho-viability-p1 set1 4 -0.58129825 7.42504183 -4.12757661 1.7340753 -3.25687362 -1.4671689 -0.03983859 0.0249123 -0.16310937 -1.62019962 -1.16515463 -1.76523955 -1.72488423 -0.66862123 3.38442765 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77191-36-7 71157 170466286 A Nefiracetam O=C2CCCN2CC(=O)Nc1c(C)cccc1C Tox21_113521_1 -NCGC00015810-12 196697589 tox21-ror-cho-viability-p1 set1 -2.4 6.6824247267 -23.696916228 1.5 -22.196916228 2.4063783767 0.9397558727 0.0000231807 0.6074303 1.90317813 0.74718117 1.76624443 0.79618192 -0.68037158 6.97609923 1.23873486 0.5938196 -0.19480129 1.8216773 -1.28596035 -16.80077827 -17.75404792 -23.49743019 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61-25-6 6084 170465687 A Papaverine hydrochloride Cl.COc1ccc(cc1OC)Cc3nccc2cc(OC)c(cc23)OC Tox21_110226_1 -NCGC00253735-01 196697592 tox21-ror-cho-viability-p1 set1 4 1.44704784 5.2117224 3.3650554 0.04295185 3.0789329 -0.04462385 -0.8917871 0.80551089 3.82663072 2.93257057 1.31177393 2.53871452 0.80786356 3.20273568 5.3891904 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 30709-69-4 65773 170466183 A A Tizoprolic acid CCCc1ncc(s1)C(=O)O Tox21_113854 -NCGC00165791-04 196697598 tox21-ror-cho-viability-p1 set1 4 2.67904579 4.4437653 0.1649435 3.43104756 -0.89434745 3.27933107 -3.19470709 -0.09563499 -2.773019 -0.43724929 2.31974217 3.87521717 0.00870483 4.27457148 2.96764601 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 108929-04-0 157313 170465284 A Epinastine hydrochloride Cl.NC2=NCC3c4ccccc4Cc1ccccc1N23 Tox21_112263_1 -NCGC00167454-02 196697602 tox21-ror-cho-viability-p1 set1 4 0.2113168243 4.4713618119 -1.9713618119 2.5 1.9673362061 0.3294452344 0.3421024349 -4.96022594 1.34076689 2.41175299 -0.54309109 -1.71636626 -4.63060208 -6.64280151 3.20058176 0.94683127 -1.15342628 4.6048387 1.62882703 2.61642272 0.49303155 5.7711911 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 88069-67-4 4820 170465988 A Pilsicainide Cc3cccc(C)c3NC(=O)CC12CCCN2CCC1 Tox21_112458_1 -NCGC00016274-10 196697612 tox21-ror-cho-viability-p1 set1 4 0.4779576 -3.85023245 2.07032014 -2.41828499 -1.46666757 -0.40524928 -3.3320816 -2.98484532 0.79325646 -1.04495653 -2.54264038 -2.40389647 1.02992959 -6.1352497 0.17422135 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60-80-0 2206 170465510 A Phenazone O=C2C=C(C)N(C)N2c1ccccc1 Tox21_110342_1 -NCGC00016916-11 196697615 tox21-ror-cho-viability-p1 set1 4 -4.48147487 1.12519243 -6.08256741 0.43518236 -5.22088267 -12.14062708 1.02201578 -1.28387162 -0.62564671 -1.45726377 -0.65421233 -0.68303824 1.5147329 0.36906717 1.17437402 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 70458-96-7 4539 170464769 A Norfloxacin O=C(O)C2=CN(CC)c1cc(c(F)cc1C2=O)N3CCNCC3 Tox21_110682_1 -NCGC00091044-02 196697624 tox21-ror-cho-viability-p1 set1 4 58.2204947775 -12.972459144 -0.5 -13.472459144 4.9549173134 0.7834709385 0.0112784366 0.2383316 -2.85759475 0.17786955 -0.77341868 -1.45577675 -1.72968492 -2.0178063 -2.45438461 2.31206487 1.03517484 1.41541156 -1.68946966 1.54519189 -2.24846731 -12.06038262 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00094989-04 196697628 tox21-ror-cho-viability-p1 set1 4 1.37973475 -1.70691662 6.27591719 0.76644587 -1.96559501 0.94840233 1.84172375 5.33535802 -0.00513224 5.97953345 -3.00825207 1.54452985 -0.24999894 1.69970323 0.37911065 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4940-39-0 2741 170466383 A Chromocarb O=C(O)C1=CC(=O)c2ccccc2O1 Tox21_111376_1 -NCGC00015884-13 196697263 tox21-ror-cho-viability-p1 set1 4 23.7101376556 6.4498412 -2.4498412 4 3.9294729863 0.3471090585 0.3274097344 -2.03981808 -3.58323646 -3.31290104 -3.05900566 0.32156366 -2.83090053 -1.99150981 -3.16749549 -7.458201 3.0550747 -1.18452357 -4.07183108 -2.95395255 -0.13272914 3.53478204 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54187-04-1 68712 170466278 A Rilmenidine C1CC1C(NC2=NCCO2)C3CC3 Tox21_110254_1 -NCGC00257639-01 196729665 tox21-ror-cho-viability-p1 set3 4 42.5739137901 -10.2919727199 0.5 -9.7919727199 3.9294729863 0.5212952878 0.1611341755 0.45957377 -0.83869923 -2.20167331 0.34316987 -0.30519488 -0.51701529 0.32655996 0.55607106 1.26813867 -0.11493268 -0.05299661 -0.3504983 9.17337569 -5.30444293 -8.9933106 1.164E-9 2.603E-9 5.8199999999E-9 1.301E-8 2.91E-8 6.507E-8 1.4549999999E-7 3.254E-7 7.276E-7 0.0000016269999999 0.0000036379999999 0.000008134 0.00001819 0.00004067 0.00009094 102-36-3 7607 144207283 F 3,4-Dichlorophenyl isocyanate Clc1ccc(/N=C=O)cc1Cl Tox21_200085 -NCGC00258063-01 196729648 tox21-ror-cho-viability-p1 set3 4 -3.70804344 -8.99988733 -9.37571459 -7.96219976 -7.39986993 -7.0990365 -1.27755535 -10.26769216 -7.66559419 -5.22880363 -6.12384139 -6.60120499 -8.18296323 -13.07176177 -19.8042428 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.53E-8 1.4599999999E-7 3.265E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.000008162 0.00001825 0.00004081 0.00009125 73590-58-6 4594 144207707 D Omeprazole Cc3c(OC)c(C)cnc3CS(=O)c1nc2cc(ccc2n1)OC Tox21_200509 -NCGC00258258-01 196729651 tox21-ror-cho-viability-p1 set3 4 12.0856016112 -10.8203959519 7 -3.8203959519 1.826479391 0.6987076222 0.0390349969 7.41012799 3.57033188 6.17778974 6.68172137 8.59018052 7.06012852 3.58677272 5.9662873 10.90347026 5.87702771 6.78926598 5.12436652 -4.14547763 1.22610137 -4.85032996 1.171E-9 2.618E-9 5.854E-9 1.3089999999E-8 2.927E-8 6.545E-8 1.464E-7 3.2729999999E-7 7.3179999999E-7 0.0000016359999999 0.0000036589999999 0.000008182 0.00001829 0.000040909999999 0.000091469999999 20098-48-0 88365 144207902 A Ac 3,4,5-Trichloronitrobenzene Clc1cc(cc(Cl)c1Cl)[N+]([O-])=O Tox21_200704 -NCGC00259006-01 196708574 tox21-ror-cho-viability-p1 set2 4 2.87568251 3.19893083 6.20960367 2.57530582 -1.93834926 0.86205208 -0.20277363 0.09972393 -0.42758552 -0.41774488 3.09169143 1.30600335 0.74887275 5.20017973 5.17999234 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.00000369 0.000008252 0.000018449999999 0.000041259999999 0.00009226 7747-35-5 82190 144208653 A A 5-Ethyl-1-aza-3,7-dioxabicyclo[3.3.0]octane CCC12COCN2COC1 Tox21_201455 -NCGC00357205-01 196712272 tox21-ror-cho-viability-p1 set2 2.4 68.5896218971 26.1828689161 1.3171310839 27.5 4.0449729863 0.9248981084 0.0000751838 0.2122905 0.15927988 2.25902166 0.20474297 -0.47156692 0.69034254 -0.56905743 3.57429128 3.59192591 3.98705959 2.24137252 2.02105375 1.44326626 4.40755387 21.56717395 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-22-3 6800 251919649 Ac 2,3,4,5,6-Pentabromoethylbenzene Brc1c(CC)c(Br)c(Br)c(Br)c1Br Tox21_303981 -NCGC00091080-03 196712280 tox21-ror-cho-viability-p1 set2 3 76.9588215421 61.8452478588 1.9982565329 63.8435043917 4.9549173134 0.8916921821 0.0004783697 -0.63467981 -1.03550599 2.34969774 -4.36831617 1.55632826 4.39099139 0.13355418 7.00724618 3.27094135 7.25100266 2.34072404 7.6972258 4.71337829 -4.03381394 50.82696509 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00259181-01 196708986 tox21-ror-cho-viability-p1 set2 4 0.053100472 3.997675856 -1.997675856 2 4.9549173134 0.4202758974 0.2558480427 0.37025065 -1.06486815 -1.50963514 -0.96010252 -7.91472988 2.8604764 -0.38159704 0.56615027 1.32689168 3.42546781 0.61624964 3.03799059 0.91278011 5.48368947 2.06902413 1.155E-9 2.582E-9 5.7739999999E-9 1.291E-8 2.887E-8 6.4549999999E-8 1.443E-7 3.2279999999E-7 7.217E-7 0.000001614 0.0000036089999999 0.000008069 0.000018039999999 0.00004035 0.00009022 76-03-9 6421 144208830 Trichloroacetic acid ClC(Cl)(Cl)C(=O)O Tox21_201632 -NCGC00259633-01 196708973 tox21-ror-cho-viability-p1 set2 4 0.001864518 -8.5410945559 7 -1.5410945559 1.1340999999 0.3601008956 0.3310041019 4.69289642 0.28392103 1.98101315 -0.0844284 -2.2908026 -0.08650399 -6.70091213 -1.46486136 -0.24274356 -2.52061808 2.24080338 -2.26145721 -3.0311011 1.51658017 2.85869424 1.1449999999E-9 2.56E-9 5.724E-9 1.28E-8 2.8619999999E-8 6.399E-8 1.431E-7 3.2E-7 7.155E-7 0.0000016 0.000003577 0.0000079989999999 0.00001789 0.000039999999999 0.00008943 78-67-1 6547 144209282 A F 2,2'-Azobis(2-methylpropanenitrile) N#CC(C)(C)/N=N/C(C)(C)C#N Tox21_202084 -NCGC00259380-01 196708985 tox21-ror-cho-viability-p1 set2 4 -0.96698422 0.30170752 -3.3642009 -0.59707864 1.0290738 -1.72397119 -2.60584345 -0.43442338 -3.28490134 0.78581854 -2.76342518 -2.01410598 1.40826141 -1.15590805 0.71767818 1.173E-9 2.622E-9 5.863E-9 1.311E-8 2.931E-8 6.5549999999E-8 1.466E-7 3.277E-7 7.328E-7 0.0000016389999999 0.000003664 0.000008193 0.00001832 0.000040969999999 0.000091599999999 526-75-0 10687 144209029 A A 2,3-Dimethylphenol Cc1cccc(O)c1C Tox21_201831 -NCGC00090987-03 196709383 tox21-ror-cho-viability-p1 set2 4 -8.86476093 -1.06803733 -7.01534818 -3.78534687 -0.907024 -0.41304686 0.14146407 -0.11729999 -1.5101175 4.76521629 -19.64630955 -0.16466352 -0.25348835 -1.30710686 0.83744726 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00091657-02 196709801 tox21-ror-cho-viability-p1 set2 4 5.38760497 -1.43618549 -0.46698588 1.29297274 1.63146848 2.52311691 1.91311177 1.24565164 0.98465626 2.01020853 1.73308556 -1.44604254 1.0922776 2.32033053 1.73656397 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00255618-01 196709800 tox21-ror-cho-viability-p1 set2 4 65.6705592119 -24.618069868 1 -23.618069868 3.2474983358 0.8568911661 0.001831448 4.12865253 -1.481475 -1.84409292 1.66803329 0.71322911 3.31061629 1.7569879 2.01452316 3.22706957 -0.57771172 3.57082453 -0.35863092 -1.66429192 -2.47730512 -17.18172489 1.1379999999E-9 2.546E-9 5.692E-9 1.2729999999E-8 2.8459999999E-8 6.3639999999E-8 1.423E-7 3.182E-7 7.115E-7 0.0000015909999999 0.0000035579999999 0.000007955 0.000017789999999 0.00003978 0.00008894 71422-67-8 91708 144211884 A Chlorfluazuron Fc1cccc(F)c1C(=O)NC(=O)Nc3cc(Cl)c(Oc2ncc(cc2Cl)C(F)(F)F)c(Cl)c3 Tox21_301567 -NCGC00255573-01 196709809 tox21-ror-cho-viability-p1 set2 4 2.31806245 2.51974298 0.72071847 0.35976317 2.33454098 3.19281451 -0.77374433 -0.53953708 0.32730445 1.17051831 -2.61868497 -0.30850984 -0.36545413 -3.29007096 -4.35676724 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2312-73-4 16834 144211930 A A N-Benzyl-9-(tetrahydro-2H-pyran-2-yl)adenine n3cn(C1CCCCO1)c4ncnc(NCc2ccccc2)c34 Tox21_301613 -NCGC00255817-01 196709819 tox21-ror-cho-viability-p1 set2 4 -5.23758606 0.80981339 1.09073804 1.87228134 0.36290725 1.56143335 0.25589882 -0.11071147 0.18933915 0.01677908 0.76517815 0.61604265 0.75849505 -0.51917464 0.38995751 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2752-17-2 75982 144211712 F Ac 2,2'-Oxybis(ethylamine) NCCOCCN Tox21_301395 -NCGC00094532-06 196710220 tox21-ror-cho-viability-p1 set2 4 -1.97060112 -0.76649342 3.02248658 -1.76425786 0.27628707 0.68339538 -0.06113304 3.24963777 1.84111395 -0.41660505 -1.55642501 0.36282884 -1.56282126 1.80045371 3.73691345 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00255998-01 196710221 tox21-ror-cho-viability-p1 set2 4 1.00820015 2.49633056 -1.97999738 -1.34296037 2.44762734 0.75552696 -2.71461995 -4.89572552 0.61910488 2.0839139 -2.2731298 -1.47474006 -0.84525856 -0.59034987 0.79831496 1.2149999999E-9 2.716E-9 6.073E-9 1.358E-8 3.036E-8 6.789E-8 1.518E-7 3.395E-7 7.591E-7 0.000001697 0.0000037949999999 0.000008487 0.00001898 0.00004243 0.000094879999999 1515-72-6 73812 144212278 A A 2-Butyl-1H-isoindole-1,3(2H)-dione O=C2c1ccccc1C(=O)N2CCCC Tox21_301961 -NCGC00091210-02 196730344 tox21-ror-cho-viability-p1 set3 4 1.2197151236 -10.092120512 4.5 -5.592120512 0.2 0.3125433269 0.3596691049 1.03051026 6.84981169 -3.05824321 4.38319859 0.5361987 -0.4700646 0.56339973 0.76211485 0.81513737 -1.21871414 -3.46767199 -1.96086805 0.76291683 0.25092477 -5.49343376 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00255756-01 196700104 tox21-ror-cho-viability-p1 set1 4 -1.17653839 0.44071659 0.18913151 3.78872268 0.08916639 4.21946515 0.75047032 -2.83154183 -1.89041162 4.23088684 0.73348462 -1.11748919 4.88878371 4.63443888 -3.81607074 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 542-28-9 10953 144212483 A Tetrahydro-2H-pyran-2-one O=C1CCCCO1 Tox21_302166 -NCGC00255368-01 196701298 tox21-ror-cho-viability-p1 set1 4 0.06058774 -0.59507798 3.33503762 -0.16913282 -0.39113967 0.27899324 -0.63484276 0.29636375 -3.25400593 5.52525572 1.28397069 -0.50353477 5.06283334 4.68144793 0.63765942 8.0809999999E-10 1.8069999999E-9 4.041E-9 9.035E-9 2.02E-8 4.517E-8 1.01E-7 2.2589999999E-7 5.0509999999E-7 0.000001129 0.000002525 0.000005647 0.00001263 0.00002823 0.00006313 51-48-9 5819 144212473 A A Levothyroxine O=C(O)[C@@H](N)Cc2cc(I)c(Oc1cc(I)c(O)c(I)c1)c(I)c2 Tox21_302156 -NCGC00091261-03 196701300 tox21-ror-cho-viability-p1 set1 4 76.1768542058 -10.626492396 2 -8.626492396 4.9549173134 0.582870355 0.1121085176 0.92185892 1.75170579 0.7744881 1.92480426 3.12369824 4.65035626 0.30236406 1.05968053 0.87043722 4.15472378 3.86851503 -0.18784435 -0.75115623 4.18501631 -6.35541033 1.1699999999E-9 2.6159999999E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.539E-8 1.462E-7 3.269E-7 7.311E-7 0.000001635 0.0000036549999999 0.000008173 0.00001828 0.000040869999999 0.00009138 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00091759-02 196700882 tox21-ror-cho-viability-p1 set1 4 -7.02281689 -4.27134419 3.36010064 -5.58577393 -0.023885 -2.65599639 -5.40244593 2.38792591 -1.89201123 3.39286196 2.51002479 0.39562828 -2.69615909 1.38588746 -0.60704977 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00256044-01 196701296 tox21-ror-cho-viability-p1 set1 4 0.012060836 5.013340716 -3.513340716 1.5 2.7202212143 0.3869829972 0.2876068749 -2.36166735 -1.83305588 -6.67778393 0.91819012 -0.03952759 2.24322523 2.27808888 -2.81673672 2.48682754 2.11354703 2.58617246 -2.90769499 5.23202041 0.00877088 3.9593495 1.1689999999E-9 2.6129999999E-9 5.843E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.461E-7 3.2659999999E-7 7.3029999999E-7 0.0000016329999999 0.000003652 0.0000081649999999 0.00001826 0.000040829999999 0.00009129 55635-13-7 23703451 144212704 A I Alloxydim-sodium [Na+].O=C1CC(C)(C)C(=C([O-])/C1=C(\CCC)NOCC=C)C(=O)OC Tox21_302387 -NCGC00255702-01 196701315 tox21-ror-cho-viability-p1 set1 4 15.3553036427 10.3674402999 -4.3674402999 6 0.5 0.5584746507 0.1303457693 -0.06826773 -5.76567772 -6.2251417 -2.48248501 -5.68443885 -6.55620025 -3.85609652 -2.8262626 1.880121 -1.08045564 -2.88198026 -0.06975798 -1.35320933 3.29834285 3.72839809 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16118-49-3 27689 144211879 A A Carbetamide CCNC(=O)C(C)OC(=O)Nc1ccccc1 Tox21_301562 -NCGC00091044-02 196701318 tox21-ror-cho-viability-p1 set1 4 0.22998238 -1.07780136 -6.34134741 -4.58901236 -3.23268478 -3.87617305 -7.51104805 -4.46367903 0.47439066 -0.10729542 0.63935574 -0.68538368 -3.73940854 0.17582716 -5.22465705 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00258201-01 196701713 tox21-ror-cho-viability-p1 set1 4 16.5653007352 -15.3618004239 0.5 -14.8618004239 4.4494702849 0.6002751351 0.1109911577 0.61873938 1.80721581 -2.67076854 -5.7068013 -0.26698221 0.11659846 2.91841405 4.34322834 8.44074632 -5.66076253 0.12801067 0.4346531 -8.52923984 -14.46816702 9.05868663 1.142E-9 2.5539999999E-9 5.7099999999E-9 1.277E-8 2.8549999999E-8 6.384E-8 1.4269999999E-7 3.1919999999E-7 7.1369999999E-7 0.000001596 0.0000035689999999 0.00000798 0.00001784 0.000039899999999 0.000089219999999 1758-73-2 61274 144207845 F Amino(imino)methanesulfinic acid N=C(N)S(=O)O Tox21_200647 -NCGC00258588-01 196701733 tox21-ror-cho-viability-p1 set1 4 27.1949826514 -20.575893628 0 -20.575893628 4.5044702849 0.5132937506 0.1832615346 -4.77039861 -0.36128989 -6.03629718 6.20304043 -5.6046876 1.91450329 8.24045298 5.33386191 -5.50492994 0.76037241 -2.60554001 0.21755154 -3.11960959 -17.56324469 2.97892932 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 144-82-1 5328 144208233 A A Sulfamethizole Cc2nnc(NS(=O)(=O)c1ccc(N)cc1)s2 Tox21_201035 -NCGC00257903-01 196702135 tox21-ror-cho-viability-p1 set1 4 -24.74935962 -14.7386487 -13.99229928 -5.35152202 -16.5846565 -1.03902167 -16.42592946 -19.10519037 -13.50917487 -15.36622756 -19.07918967 -16.64680144 -15.87604107 -15.22833479 -11.92146111 1.194E-9 2.67E-9 5.9709999999E-9 1.335E-8 2.985E-8 6.675E-8 1.493E-7 3.338E-7 7.463E-7 0.000001669 0.000003732 0.0000083439999999 0.00001866 0.00004172 0.00009329 637-92-3 12512 144207547 FNS 2-Methyl-2-ethoxypropane CC(C)(C)OCC Tox21_200349 -NCGC00258552-01 196702141 tox21-ror-cho-viability-p1 set1 4 4.740080487 8.3483222279 -13.4929792079 -5.14465698 4.9549173134 0.507061282 0.172758657 -16.20544278 -16.80826698 -10.71850056 -13.53807201 -15.77880346 -9.60363358 -14.30484618 -12.01073431 -4.5543757 -17.49414934 -15.03697199 -4.79640646 -7.86178368 -6.36125185 -3.03721415 9.546E-10 2.134E-9 4.773E-9 1.067E-8 2.3859999999E-8 5.3359999999E-8 1.193E-7 2.668E-7 5.966E-7 0.000001334 0.000002983 0.00000667 0.00001492 0.00003335 0.00007458 91-15-6 7042 144208197 A A 1,2-Benzenedicarbonitrile N#Cc1ccccc1C#N Tox21_200999 -NCGC00257763-01 196702550 tox21-ror-cho-viability-p1 set1 4 2.53392916 3.11108678 3.93033156 5.83204159 4.72409946 5.48133638 1.86291559 -1.6681158 3.25193094 3.34882673 6.31251954 0.98039267 3.93306033 3.67585015 2.48162055 1.191E-9 2.663E-9 5.954E-9 1.331E-8 2.977E-8 6.657E-8 1.489E-7 3.3279999999E-7 7.4429999999E-7 0.0000016639999999 0.000003721 0.0000083209999999 0.00001861 0.000041609999999 0.00009303 111-41-1 8112 144207407 AC F N-(Hydroxyethyl)ethylenediamine NCCNCCO Tox21_200209 -NCGC00258364-01 196702551 tox21-ror-cho-viability-p1 set1 4 -1.35594154 0.47685858 -2.27314995 2.80013734 1.22338284 0.14656395 0.87030568 5.6511194 3.88051786 2.90301124 2.36125637 1.63572629 2.5187473 -0.06163256 1.55621046 1.226E-9 2.742E-9 6.132E-9 1.371E-8 3.066E-8 6.8559999999E-8 1.5329999999E-7 3.4279999999E-7 7.6649999999E-7 0.0000017139999999 0.000003833 0.00000857 0.00001916 0.00004285 0.000095819999999 97-63-2 7343 144208008 FC Ethyl methacrylate C=C(C)C(=O)OCC Tox21_200810 -NCGC00167455-02 196713055 tox21-ror-cho-viability-p1 set2 4 -1.0511096 1.73357866 0.08763959 -3.00513473 -1.34923272 -1.98641623 -1.26671921 -0.7139733 -0.38196819 -4.19096349 -3.20894018 -3.10856086 -5.19828376 -1.15588935 0.67876989 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 81872-10-8 72179 170465605 A Zofenopril O=C([C@@H](C)CSC(=O)c1ccccc1)N3C[C@@H](Sc2ccccc2)C[C@H]3C(=O)O Tox21_112459_1 -NCGC00182987-01 196712637 tox21-ror-cho-viability-p1 set2 4 -0.45029329 0.93925544 -0.06557327 -0.22738035 -0.46483241 0.82196156 0.5125501 0.47212897 -0.22682746 0.09691454 -0.82304419 2.60179891 0.78640576 -0.32381986 2.63831413 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 101973-77-7 127998 144206833 A A Esonarimod Cc1ccc(cc1)C(=O)CC(CSC(C)=O)C(=O)O Tox21_113282 -NCGC00094855-06 196712653 tox21-ror-cho-viability-p1 set2 4 -5.65198522 -7.39300298 -4.62792322 -6.54385084 -5.33427664 -5.24725768 -0.81183849 -7.06459758 -4.04238766 -1.86884074 1.42337912 0.16071107 1.52049852 -1.17729289 1.162879 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5588-16-9 2122 170466165 A Althiazide NS(=O)(=O)c2cc1c(NC(NS1(=O)=O)CSCC=C)cc2Cl Tox21_111347_1 -NCGC00166238-02 196713473 tox21-ror-cho-viability-p1 set2 4 1.44009124 0.30002748 -2.8776589 -3.52624662 -1.91416364 -3.44508176 -3.57265693 -4.01748189 -0.70794501 -2.73011551 -0.97454755 -1.79362035 -1.38594548 0.94677923 -1.16234016 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 22994-85-0 31593 170466539 A Benznidazole O=C(Cn1ccnc1[N+]([O-])=O)NCc2ccccc2 Tox21_112364_1 -NCGC00160410-02 196713476 tox21-ror-cho-viability-p1 set2 4 -5.13692607 -0.65298309 -4.0938096 1.12887535 0.49894187 -2.92143235 -0.88963393 0.75247357 -0.48795583 -0.38542234 2.32752549 1.14284074 0.17004593 2.27549706 -0.11320782 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 547-91-1 11043 170466511 A Loretin O=S(=O)(O)c1cc(I)c(O)c2ncccc12 Tox21_111795_1 -NCGC00018143-05 196713481 tox21-ror-cho-viability-p1 set2 1.1 0.4730794415 80.7910707578 -0.51599493 80.2750758278 2.7202212143 0.9878633287 2.6E-9 -1.70115233 1.57775501 2.04502274 -0.02851228 -1.49488775 -0.66655469 1.59077634 2.75235967 21.57805933 76.63847726 81.31093998 83.04496901 78.91150758 74.61125019 74.1266895 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 93106-60-6 71188 170465572 A Enrofloxacin CCN1CCN(CC1)c2cc3N(C=C(C(=O)O)C(=O)c3cc2F)C4CC4 Tox21_110831_1 -NCGC00183002-01 196713489 tox21-ror-cho-viability-p1 set2 4 3.42976532 1.68766062 2.92174708 1.81698949 3.47569094 3.27779584 3.92975164 3.6592006 4.31819421 0.75641109 2.51701567 -1.82477549 2.56140609 0.75894273 1.20522382 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7296-30-2 636399 144206874 Ac Fns Safrazine hydrochloride Cl.CC(NN)CCc1ccc2OCOc2c1 Tox21_113323 -NCGC00255088-01 196713889 tox21-ror-cho-viability-p1 set2 4 -3.16084228 -1.98225728 0.32501051 -1.1403113 -1.88434016 -3.11984102 -1.45092239 -2.59999734 1.08550484 0.62025801 0.18630448 0.39931665 2.70273912 -2.02165137 -0.62724176 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 127-63-9 31386 144211507 Ac Ac Diphenylsulfone O=S(=O)(c1ccccc1)c2ccccc2 Tox21_301190 -NCGC00254167-01 196713894 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -79.0628762926 0.549782803 -78.5130934896 4.5044702849 0.9945129648 0 0.80708788 1.96186916 0.10006361 -0.08210488 0.05573642 -0.31752732 0.44377414 1.32439298 -3.01739685 2.19019301 0.75292004 0.37359791 0.90270865 -6.86354617 -62.31197896 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-76-4 7311 144210434 A A 2,4-Di-tert-butylphenol CC(C)(C)c1cc(ccc1O)C(C)(C)C Tox21_300114 -NCGC00254342-01 196713896 tox21-ror-cho-viability-p1 set2 4 61.130564862 -21.836362404 -4.126940372 -25.963302776 0.8999999999 0.6550815933 0.061500421 -1.85910617 -11.43001781 -3.64727048 -6.40738279 -3.36879823 -1.77245031 -6.95755329 -3.92486169 -5.9596897 -6.94299202 -7.41747784 -4.63891271 -6.98922288 -12.75402814 -19.96941898 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6344-67-8 96088 144210945 A A 3-Hydroxyfluorene Oc1cc2c3ccccc3Cc2cc1 Tox21_300628 -NCGC00260162-01 196712246 tox21-ror-cho-viability-p1 set2 -2.1 2.7278253826 -78.1179535085 -6.153415356 -84.2713688645 4.9549173134 0.9728238015 0.0000315173 -0.23744547 -6.47483732 -5.06890105 -5.05722003 -3.18266963 -4.85421156 -6.71764168 -10.31275126 -12.00528273 -11.16754055 -73.92225339 -5.88859754 -26.67700922 -25.07388663 -32.7805867 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 460092-03-9 11181836 144209812 A Ac Trihexyltetradecylphosphonium bis(trifluoromethylsulfonyl)imide FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.CCCCCC[P+](CCCCCC)(CCCCCC)CCCCCCCCCCCCCC Tox21_202614 -NCGC00260301-01 196711434 tox21-ror-cho-viability-p1 set2 4 35.504327922 19.80651056 1.19348944 21 3.9899729863 0.6687507362 0.0537924191 5.55028498 -2.3090435 3.90632731 -2.3387588 -1.93693256 5.38918928 -1.45067194 1.5965244 -1.44069633 -1.38561965 1.31617659 4.88933137 2.76095127 3.39227091 16.86063165 6.193E-10 1.3849999999E-9 3.0959999999E-9 6.924E-9 1.548E-8 3.4619999999E-8 7.741E-8 1.731E-7 3.8709999999E-7 8.655E-7 0.000001935 0.0000043269999999 0.000009676 0.00002164 0.00004838 7446-81-3 4068533 144209952 A Sodium 2-propenoate [Na+].[O-]C(=O)C=C Tox21_202754 -NCGC00163906-02 196729277 tox21-ror-cho-viability-p1 set3 4 4.10219985 7.33733968 5.49723308 3.88424026 1.87112964 6.09046983 6.57975798 2.05422635 1.50985028 3.71767279 6.56678003 3.42892435 2.81654942 3.23645664 3.26732233 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00258701-01 196729292 tox21-ror-cho-viability-p1 set3 4 2.44509316 -1.19223864 0.09635931 0.28774394 0.92494825 -0.9701083 1.94832149 0.41936209 0.19181544 13.36859162 1.91092281 0.25529255 0.07048516 0.4186188 0.45475822 1.216E-9 2.719E-9 6.0809999999E-9 1.36E-8 3.04E-8 6.7979999999E-8 1.5199999999E-7 3.3989999999E-7 7.6009999999E-7 0.0000016999999999 0.0000037999999999 0.0000084979999999 0.000018999999999 0.00004249 0.00009501 1072-67-9 66172 144208347 A Ac 5-Methyl-3-isoxazolamine Cc1cc(N)no1 Tox21_201149 -NCGC00257991-01 196729298 tox21-ror-cho-viability-p1 set3 4 0.40676318 0.30569414 2.06156605 1.56579612 -0.1394057 0.93225522 0.35770379 -0.91789129 0.31666881 -0.35697783 1.79123238 1.28098514 -0.30348779 -0.16666983 -1.41358354 1.1689999999E-9 2.6129999999E-9 5.843E-9 1.3069999999E-8 2.922E-8 6.5329999999E-8 1.461E-7 3.2659999999E-7 7.304E-7 0.0000016329999999 0.000003652 0.000008166 0.00001826 0.000040829999999 0.0000913 111-36-4 8110 144207635 F Butyl isocyanate CCCC\N=C=O Tox21_200437 -NCGC00258437-01 196729698 tox21-ror-cho-viability-p1 set3 4 7.6958821542 8.55422358 0.94577642 9.5 2.7202212143 0.5184143507 0.179775614 2.47133982 2.44623355 -0.75688292 0.07103462 0.66890917 4.2047448 -2.12851965 1.8261662 -0.49705389 -1.3962953 3.98867706 2.64901006 14.97764875 4.62585902 2.14222453 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 624-41-9 12209 144208081 FNS 2-Methylbutyl acetate CC(=O)OCC(C)CC Tox21_200883 -NCGC00258185-01 196730128 tox21-ror-cho-viability-p1 set3 4 13.9502830566 11.866896344 -0.866896344 11 3.9294729863 0.8070047177 0.0097986841 -1.3485537 -2.03059543 0.63017367 1.11022505 0.85285566 1.23933067 -3.22241362 -1.88026192 1.31467604 -0.13251736 -2.83364627 -2.58854908 9.17844406 10.1210653 0.12581277 1.1989999999E-9 2.68E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.701E-8 1.4979999999E-7 3.351E-7 7.492E-7 0.000001675 0.000003746 0.0000083759999999 0.00001873 0.00004188 0.00009365 88-26-6 6929 144207829 A A di-tert-Butyl-4-hydroxymethyl phenol CC(C)(C)c1cc(cc(c1O)C(C)(C)C)CO Tox21_200631 -NCGC00258039-01 196730542 tox21-ror-cho-viability-p1 set3 4 35.2169535402 13.169419776 -4.169419776 9 0.6 0.7502548032 0.0198094207 -4.03673145 -4.73549977 -5.89723002 -5.97451648 -1.29833606 -4.00387078 -2.98712804 -3.58260752 -2.92447243 -0.51362011 -2.63279777 1.55584584 -1.64770392 1.41746437 6.78714061 1.204E-9 2.692E-9 6.02E-9 1.346E-8 3.01E-8 6.7309999999E-8 1.5049999999E-7 3.365E-7 7.5249999999E-7 0.000001683 0.000003763 0.000008413 0.000018809999999 0.000042069999999 0.00009406 86089-17-0 22833454 144207683 A Tridecylamine, branched and linear CCC(CCCCCCCN)CCC Tox21_200485 -NCGC00258566-01 196730546 tox21-ror-cho-viability-p1 set3 -3 70.1270162954 -39.407212004 1 -38.407212004 4.9549173134 0.9564047736 0.0000039698 -1.36801654 -0.06380771 0.0470849 -1.05191411 -0.11332817 -1.03790061 -0.31046413 0.69528424 1.80393631 3.19990857 1.1825551 0.10679195 3.41466983 1.39061262 -31.17267667 1.202E-9 2.6889999999E-9 6.0119999999E-9 1.344E-8 3.006E-8 6.722E-8 1.503E-7 3.361E-7 7.516E-7 0.0000016809999999 0.000003758 0.000008403 0.000018789999999 0.00004201 0.00009394 1191-41-9 6371716 144208211 A F Ethyl linolenate O=C(CCCCCCC\C=C\C\C=C\C\C=C\CC)OCC Tox21_201013 -NCGC00255539-01 196728113 tox21-ror-cho-viability-p1 set3 4 17.2289340586 -16.9480072679 3 -13.9480072679 0.9999999999 0.8493627955 0.0023177788 1.63620109 0.60675462 3.28263241 3.19516774 1.2858133 2.54163036 3.00501529 6.34793354 4.71932748 2.29267321 -2.4268537 -2.07809657 -7.54537882 -5.2899093 -12.87333939 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 41483-43-6 38884 144211744 A A Bupirimate CCNc1nc(C)c(CCCC)c(OS(=O)(=O)N(C)C)n1 Tox21_301427 -NCGC00256694-01 196727706 tox21-ror-cho-viability-p1 set3 4 1.21002676 -2.73239796 -0.43700998 1.69119766 -0.32686237 0 -7.11291148 0 -3.09554503 -0.32464755 0 -2.48636537 -0.31980035 -4.30535139 0.03887156 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 41394-05-2 38854 144212982 A A Metamitron O=C1C(=NN=C(C)N1N)c2ccccc2 Tox21_302665 -NCGC00257077-01 196727713 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -14.950197604 0.5 -14.450197604 4.9549173134 0.8499227785 0.0023177244 0.06766021 0.92480364 -3.05739125 0.8897103 -0.16523747 0.58689036 1.84308784 -0.61442125 1.2129503 0.86488741 2.25177249 -1.2097344 0.46225019 -0.22516296 -11.62516467 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135-19-3 8663 144213355 A A 2-Naphthalenol Oc1ccc2ccccc2c1 Tox21_303038 -NCGC00255416-01 196728107 tox21-ror-cho-viability-p1 set3 -2.4 61.130564862 -24.868098912 -0.5 -25.368098912 4.4494702849 0.9195826367 0.0001071416 0.39132626 3.31206431 -0.85502524 -3.79111805 -2.00739669 -2.17017235 0.12087095 -2.43408043 -1.00119743 0.03584837 0.42629305 -0.15002264 -0.89371506 -4.03060879 -21.97341576 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-26-3 99016 144212256 A A 2-(1-Methylbutyl)phenol Oc1ccccc1C(C)CCC Tox21_301939 -NCGC00255565-01 196728116 tox21-ror-cho-viability-p1 set3 4 2.20547709 -3.55019416 -2.77910321 -1.18323282 -2.82014163 7.72190415 2.67291892 2.63101967 6.09299158 -3.36207393 2.02536444 1.96543248 -1.12441334 -0.1416736 0.67612927 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-68-2 41690 144212196 A Ac 4-Cyclohexylcyclohexanone O=C1CCC(CC1)C2CCCCC2 Tox21_301879 -NCGC00256263-01 196709964 tox21-ror-cho-viability-p1 set2 4 3.65953766 1.60237303 0.09593399 2.45637516 0.46108024 2.03489224 0.51723186 -0.31967906 -0.69389887 0.52085227 1.94445059 -0.27281224 1.96312987 -0.0137793 0.77013375 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2082-81-7 16387 144211998 Z Z Butane-1,4-diyl bis(2-methylprop-2-enoate) O=C(OCCCCOC(=O)C(=C)C)C(=C)C Tox21_301681 -NCGC00255907-01 196709959 tox21-ror-cho-viability-p1 set2 4 3.91549621 5.33262262 1.84112707 1.17085103 1.99609781 0.20633786 -1.14350129 0.75312994 1.165254 1.60343704 -1.1252734 2.25228764 2.32166063 1.99944394 5.74679046 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-14-1 8164 144212613 A Ac Octyl acetate CCCCCCCCOC(C)=O Tox21_302296 -NCGC00255187-01 196709960 tox21-ror-cho-viability-p1 set2 4 -7.80542521 0.15347472 -3.00745205 -4.20531005 -1.5024614 1.07627185 -1.57650581 -10.11227832 0.46065221 -2.96792258 0.46482258 0.97181087 0.23996143 -0.58161984 -3.84090763 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68-22-4 6230 144212744 A A Norethindrone O=C4CC[C@H]3C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@@]1(O)C#C)=C4 Tox21_302427 -NCGC00255737-01 196709961 tox21-ror-cho-viability-p1 set2 4 0.0014531442 12.01073362 -12.01073362 0 4.9549173134 0.5906831371 0.1055368821 -9.17561135 -0.74319711 -0.13781494 -1.03386912 -0.08022386 4.01980188 2.77777065 -0.65209776 -2.09194678 3.1070579 -0.67276192 -0.23637731 -0.20176862 -0.47284083 -3.87669892 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 64-10-8 6145 144211766 A A 1-Phenylurea O=C(N)Nc1ccccc1 Tox21_301449 -NCGC00259358-01 196705836 tox21-ror-cho-viability-p1 set1 4 2.14501373 1.91615017 -12.19202966 3.74646684 6.99604608 4.04519727 -0.03076577 3.0381828 3.04408674 13.31150192 -6.48976876 3.49005073 2.90097596 -2.12857258 -0.09614866 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.0000036659999999 0.000008198 0.00001833 0.00004099 0.000091659999999 50-33-9 4781 144209007 B C Phenylbutazone O=C3C(CCCC)C(=O)N(c1ccccc1)N3c2ccccc2 Tox21_201809 -NCGC00259578-01 196705822 tox21-ror-cho-viability-p1 set1 4 -0.17402873 6.49715656 3.14289258 6.51381176 8.53264763 1.24394355 2.57244521 0.94835018 4.02492461 13.55184608 0.2933225 3.34039512 2.19293369 0.03827083 0.22938228 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.968E-8 6.6359999999E-8 1.484E-7 3.318E-7 7.4189999999E-7 0.000001659 0.0000037099999999 0.000008295 0.00001855 0.000041479999999 0.00009274 106-25-2 643820 144209227 A A (2Z)-3,7-Dimethylocta-2,6-dien-1-ol C\C(C)=C\CCC(/C)=C\CO Tox21_202029 -NCGC00259318-01 196705826 tox21-ror-cho-viability-p1 set1 4 2.62167854 9.62838318 5.68847748 9.821152 4.17931015 0.2421823 -0.92410877 1.6211513 0.20717087 10.8309461 -7.08948622 1.53874758 0.81526874 1.1537811 1.07229861 1.234E-9 2.7599999999E-9 6.171E-9 1.38E-8 3.086E-8 6.9E-8 1.543E-7 3.45E-7 7.7139999999E-7 0.000001725 0.000003857 0.000008625 0.00001929 0.000043119999999 0.00009643 110-17-8 444972 144208967 A A Fumaric acid O=C(O)/C=C/C(=O)O Tox21_201769 -NCGC00259014-01 196705830 tox21-ror-cho-viability-p1 set1 4 3.54868335 6.00808821 7.04200159 1.022258 6.86996806 1.78749783 1.92985834 0.80842714 -0.92350825 17.49271518 3.90406299 0.91087387 -0.77292928 4.65453974 4.38898052 1.216E-9 2.72E-9 6.0819999999E-9 1.36E-8 3.041E-8 6.8E-8 1.521E-7 3.4E-7 7.6029999999E-7 0.0000016999999999 0.000003801 0.0000085 0.00001901 0.000042499999999 0.00009504 100-37-8 7497 144208661 A Ac N,N-Diethylethanolamine CCN(CC)CCO Tox21_201463 -NCGC00258964-01 196705844 tox21-ror-cho-viability-p1 set1 4 0.13839552 -5.09183568 -0.00160769 -8.6231344 0.52480814 0.09443198 0.0241878 -0.06417954 5.34092103 3.68993406 1.47050606 -2.27924016 4.30840813 -4.20604071 -3.42561875 1.189E-9 2.6589999999E-9 5.945E-9 1.3289999999E-8 2.9719999999E-8 6.647E-8 1.486E-7 3.323E-7 7.4309999999E-7 0.000001662 0.000003716 0.0000083079999999 0.000018579999999 0.00004154 0.00009289 23950-58-5 32154 144208611 A A Propyzamide Clc1cc(cc(Cl)c1)C(=O)NC(C)(C)C#C Tox21_201413 -NCGC00259390-01 196705845 tox21-ror-cho-viability-p1 set1 4 -3.66080698 -2.5716787 4.79421315 -0.47593905 -0.17193817 0.31909249 -2.20330247 0.10654041 -6.21825104 9.03891232 -0.27108992 -9.42009768 1.37472189 -5.70447622 -6.40785488 1.191E-9 2.663E-9 5.954E-9 1.331E-8 2.977E-8 6.657E-8 1.489E-7 3.3289999999E-7 7.4429999999E-7 0.0000016639999999 0.000003721 0.0000083209999999 0.00001861 0.000041609999999 0.00009304 56-72-4 2871 144209039 A A Coumaphos CCOP(=S)(OCC)Oc1ccc2c(c1)OC(=O)C(Cl)=C2C Tox21_201841 -NCGC00259126-01 196706244 tox21-ror-cho-viability-p1 set1 4 -10.3020479 -3.25018483 -11.39787778 -14.38034018 -3.34975971 -7.5250833 -8.95869288 -5.86469528 -6.28959928 -12.25717256 3.33000278 -11.33606987 -8.79461615 -12.29910508 -13.59907278 1.194E-9 2.6689999999E-9 5.968E-9 1.3339999999E-8 2.9839999999E-8 6.672E-8 1.4919999999E-7 3.3359999999E-7 7.4599999999E-7 0.000001668 0.00000373 0.00000834 0.00001865 0.0000417 0.000093249999999 108-98-5 7969 144208775 A A Benzenethiol Sc1ccccc1 Tox21_201577 -NCGC00259523-01 196706255 tox21-ror-cho-viability-p1 set1 -2.1 60.5094261282 -90.58131786 2.4871830644 -88.0941347956 3.6272481694 0.9789730382 6.34E-8 3.80738896 8.59411538 0.89832522 3.09285934 -1.05179364 0.94807488 2.05887797 3.1621434 -0.68621798 7.65200006 -0.04681377 4.31217374 -1.48728926 -14.61161407 -71.66222333 1.1699999999E-9 2.617E-9 5.852E-9 1.3079999999E-8 2.926E-8 6.542E-8 1.463E-7 3.271E-7 7.315E-7 0.0000016359999999 0.000003657 0.000008178 0.00001829 0.000040889999999 0.00009143 103-76-4 7677 144209172 A A 1-Piperazineethanol OCCN1CCNCC1 Tox21_201974 -NCGC00258879-01 196706652 tox21-ror-cho-viability-p1 set1 4 0.0383747395 8.774146612 -10.274146612 -1.5 1.6266150999 0.5115268472 0.185237378 -11.49531275 -3.71546748 -15.22845551 -9.8545332 -3.70217276 -7.2473044 0.11452012 0.626055 -6.77753461 0 2.9013496 -3.22238397 -5.36917392 1.28440485 -11.14062852 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.569E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.00004106 0.00009181 5466-77-3 21630 144208525 A A Octinoxate COc1ccc(C=CC(=O)OCC(CC)CCCC)cc1 Tox21_201327 -NCGC00254452-01 196698893 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -26.16184868 0 -26.16184868 4.9549173134 0.8368962918 0.003307504 0.37560504 -0.23553205 1.59537599 2.6842656 -0.18328752 -0.24337477 4.60212217 0.11564412 1.57673924 -3.43461675 -0.22541139 -1.35553667 -5.96261568 -1.63574794 -21.3848739 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 179465-71-5 53316393 144210781 A C CJ-013790 NC(=O)N(O)[C@@H]3C=C[C@H](Oc2cc(Oc1ccc(F)cc1)ccc2)C3 Tox21_300463 -NCGC00258174-01 196701769 tox21-ror-cho-viability-p1 set1 4 39.0026498224 10.1468429679 -3.1468429679 7 1.111 0.4265505019 0.2485338726 -3.88411207 -1.10259183 -2.46913635 -0.44013662 -0.84131149 -2.72798608 -8.36230105 -5.83813904 -0.58862941 -8.87236914 -0.90161946 -0.00848448 0.57031334 -0.08950349 5.54640074 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.3289999999E-7 7.445E-7 0.000001665 0.0000037219999999 0.000008324 0.00001861 0.00004162 0.00009306 367-25-9 9709 144207818 A A 2,4-Difluoroaniline Fc1ccc(N)c(F)c1 Tox21_200620 -NCGC00091261-03 196701771 tox21-ror-cho-viability-p1 set1 4 34.3762428541 -11.110602564 6.5 -4.610602564 1.24751 0.5184880517 0.1635234822 6.51734433 0.64054534 3.11655218 11.23134034 7.93357647 8.4378098 8.76217047 3.57417822 9.0108549 5.64784366 6.99077615 3.77887206 2.96236829 1.24486241 -3.00883547 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00257970-01 196701772 tox21-ror-cho-viability-p1 set1 4 -2.08019544 0.47416669 -3.05970218 -3.6129424 -0.77460317 1.86857277 -7.319409 1.16150652 -5.60124666 -7.07426972 -3.77069381 -0.11636618 0.659826 -12.82966705 -8.37570682 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.9719999999E-8 6.6449999999E-8 1.486E-7 3.3219999999E-7 7.429E-7 0.0000016609999999 0.000003714 0.0000083059999999 0.00001857 0.00004153 0.00009286 99-71-8 7453 144207614 A A 4-(Butan-2-yl)phenol Oc1ccc(cc1)C(C)CC Tox21_200416 -NCGC00262938-01 196698476 tox21-ror-cho-viability-p1 set1 4 0.00259042 2.12692221 1.13217264 0.49250446 5.02247462 0.42822857 -0.19523877 0.71399059 1.53588875 1.21000291 -2.5121059 -2.1824441 1.99559853 0.27640583 4.70561039 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55779-18-5 41574 170466341 A Ac Arprinocid Fc3cccc(Cl)c3Cn2cnc1c(N)ncnc12 Tox21_113931 -NCGC00090789-02 196698878 tox21-ror-cho-viability-p1 set1 4 0.05756612 2.05524707 0.96856403 -0.59453297 -0.45305121 1.48323309 3.25763309 1.64642887 -0.22279562 0.25974341 -0.43604833 1.11758437 4.84579916 1.11427842 0.67448206 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00090962-05 196698881 tox21-ror-cho-viability-p1 set1 4 54.4826732819 -26.4882542159 0.5 -25.9882542159 1.4780888099 0.9442919574 0.000015317 -0.43582062 1.48934385 4.01383033 0.376842 0.15054638 0.44244393 -0.40994501 0.00029873 1.702115 0.24301362 -0.40979516 0.07961675 -5.66391641 -8.71096408 -18.32354518 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00254596-01 196698898 tox21-ror-cho-viability-p1 set1 4 -3.74794086 -0.26226098 -0.9001001 3.63996898 -0.04726993 -2.67325094 1.17735975 0.33339847 -0.23688264 0.61887315 0.89192863 -0.73899744 5.53526025 1.3362654 1.24706771 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 335-67-1 9554 144211005 PFOA FC(F)(C(F)(F)C(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300688 -NCGC00254185-01 196699313 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -26.1068741319 1.5 -24.6068741319 4.9549173134 0.8626730639 0.0015076677 -0.24447266 0.62252419 6.09667033 0.05078602 0.21610058 2.85773776 -2.06986759 3.36532199 4.47483436 0.20859207 2.86330474 -0.552223 0.67138188 0.92379025 -19.67239511 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-95-4 7271 144210506 A A 2,4,5-Trichlorophenol Oc1cc(Cl)c(Cl)cc1Cl Tox21_300186 -NCGC00254236-01 196699319 tox21-ror-cho-viability-p1 set1 4 0.54202318 -3.24536678 -5.61926455 -3.42753166 -1.79568861 -2.84035829 -0.21236175 -3.21509449 0.06120402 -2.0039717 1.14124451 -1.3060978 -1.21331132 0.21918643 -1.76264132 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 41481-66-7 833466 144210946 A A 4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol] Oc1ccc(cc1CC=C)S(=O)(=O)c2cc(CC=C)c(O)cc2 Tox21_300629 -NCGC00091759-02 196699719 tox21-ror-cho-viability-p1 set1 4 61.130564862 -10.394459904 0.5 -9.894459904 4.9549173134 0.4835885117 0.1952822431 1.57302405 0.15881379 1.00987062 0.33286788 0.6318538 0.0426112 -0.9682068 -4.76660853 0.25450157 0.99910009 2.35767971 -0.61435687 7.58080941 -0.85983442 -8.66204992 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00254173-01 196699721 tox21-ror-cho-viability-p1 set1 4 76.9588215421 10.057602576 -3.057602576 7 0.7 0.4008571989 0.2758670176 -1.37097345 -2.49826147 -3.3034995 -3.20731585 -4.57201515 -5.88133548 -1.04168702 -2.20765444 -0.61548032 -2.9005808 -3.61223972 -0.87781367 2.84100896 -3.61768763 4.36728824 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139290-65-6 5311271 144210564 A A Volinanserin COc1cccc(c1OC)[C@H](O)C3CCN(CCc2ccc(F)cc2)CC3 Tox21_300244 -NCGC00018221-08 196717137 tox21-ror-cho-viability-p1 set2 4 -1.83440998 -1.32421242 0.62408422 -0.14157127 7.51020156 -1.36200647 0.27593132 1.13984013 -1.33499266 6.62592503 1.00192787 -0.46556018 -0.61393207 -1.62546987 -1.03837518 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00163906-02 196718374 tox21-ror-cho-viability-p1 set2 4 0.50051422 -1.34571205 -2.09729836 -2.0898357 -0.7856848 -1.6864212 -2.58084633 -1.56653052 -0.12982634 0.05240649 -0.42963031 0.14047391 0.05458661 1.19666073 -3.19266126 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00256919-01 196718770 tox21-ror-cho-viability-p1 set2 4 -1.48631955 -1.68782865 1.79625323 -0.70830584 2.0626555 2.68192099 -2.122177 4.96619787 5.31547238 1.93750208 6.21830423 5.9850609 3.36711205 4.36155537 5.67920346 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-52-6 7658 144212924 A Ac 2-Phenylethyl butanoate CCCC(=O)OCCc1ccccc1 Tox21_302607 -NCGC00090986-03 196718791 tox21-ror-cho-viability-p1 set2 4 30.8248964822 -13.7716778239 -2 -15.7716778239 2.1876167061 0.7363335714 0.0240854291 0.83041982 -1.15463333 -0.76212584 -3.67192213 -3.5879912 -7.35500135 -0.36118031 -3.04950324 -6.11762265 -1.24212449 -0.84424854 -1.6198083 -5.86684514 -10.67111925 -14.80973152 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.000041429999999 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00253699-01 196716738 tox21-ror-cho-viability-p1 set2 4 3.61585727 -0.9387493 0.80568457 4.28816077 2.98006365 0.26484417 -1.25756438 2.36347715 3.24866035 0.63252318 4.37199643 1.67448103 -2.11258226 -2.13458738 1.26280649 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 43076-61-5 2723694 170466732 A A 4'-Tert-butyl-4-chlorobutyrophenone CC(C)(C)c1ccc(cc1)C(=O)CCCCl Tox21_113820 -NCGC00159417-05 196717131 tox21-ror-cho-viability-p1 set2 -2.2 21.1316824289 -41.0157743824 2.452453388 -38.5633209944 2.7202212143 0.9646550408 0.0000012286 2.08172444 -0.07335412 -0.60828035 5.09419433 6.43326482 1.91383349 2.24029036 5.04099743 -0.35178755 3.2818653 2.67644734 1.87893973 -0.22818277 -17.23254071 -34.51766742 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3380-34-5 5564 170464936 Ac Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_111648_1 -NCGC00017258-08 196717133 tox21-ror-cho-viability-p1 set2 4 1.6059063 -3.56489501 -11.34124451 -2.9598816 -8.02503262 -5.08624258 -4.8536768 -4.04218888 -3.71784625 -12.73512068 -3.85105749 2.10925983 -2.05446268 -0.48146308 -1.02996419 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 113-42-8 8226 170465383 A Methergine CC[C@@H](CO)NC(=O)[C@@H]2C=C1c3cccc4ncc(C[C@H]1N(C)C2)c34 Tox21_110809_1 -NCGC00253758-01 196717142 tox21-ror-cho-viability-p1 set2 4 -1.04076155 0.39573739 0.20888641 3.19886148 -0.88546749 -0.12101987 -0.69439963 -0.85492995 2.79312753 4.77612578 5.62790519 0.02542894 -0.41463877 2.35276293 0.02782797 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63610-08-2 107641 170466270 A A Indobufen O=C(O)C(CC)c1ccc(cc1)N2Cc3ccccc3C2=O Tox21_113871 -NCGC00178579-04 196717152 tox21-ror-cho-viability-p1 set2 4 -1.96346793 -2.54321301 1.49492025 -2.72213985 -3.52509153 -0.9041222 -0.26154396 -1.63140755 -1.24751457 -3.5972109 -0.07844946 -0.49186098 1.40259819 2.44358495 2.26615317 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27262-48-2 117965 170465452 A Levobupivacaine hydrochloride Cl.Cc2cccc(C)c2NC(=O)[C@@H]1CCCCN1CCCC Tox21_111706_1 -NCGC00090970-03 196717153 tox21-ror-cho-viability-p1 set2 4 2.58420682 3.48745006 0.77160771 2.28754824 4.17750172 3.9466835 9.66379058 7.63256621 7.03298438 7.46771805 4.39246285 3.68638896 3.0098074 1.2651736 2.84585864 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 110-16-7 444266 170465983 Z Maleic acid O=C(O)/C=C\C(=O)O Tox21_113105_1 -NCGC00182082-03 196717568 tox21-ror-cho-viability-p1 set2 4 0.15472654 1.62408801 1.98150707 3.23707248 5.00971044 6.09819723 8.04157311 8.62617014 0.37184301 0.73677413 0.72344497 -0.24939636 0.87529337 0.04210277 1.97203837 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 251565-85-2 57823090 170466025 A Tesaglitazar O=S(C)(=O)Oc1ccc(cc1)CCOc2ccc(C[C@@H](OCC)C(=O)O)cc2 Tox21_113248_1 -NCGC00164589-02 196717966 tox21-ror-cho-viability-p1 set2 4 0.14801484 2.27845618 1.87403714 1.88471209 3.77950548 2.10728443 1.2368971 -1.09768339 1.82696947 1.86585138 -0.38584397 1.8712475 0.39924798 1.86002818 -0.79198545 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 673-31-4 4770 170465902 A Phenprobamate NC(=O)OCCCc1ccccc1 Tox21_112215_1 -NCGC00016523-05 196717969 tox21-ror-cho-viability-p1 set2 4 1.15419785 -0.41715092 3.33029227 3.39684337 5.29021478 10.42014703 5.58278884 5.03401932 0.21512279 0.20731277 1.38740381 1.4550095 1.19952562 2.35488684 1.90115951 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 606-17-7 3739 170464888 F Iodipamide O=C(Nc1c(I)c(c(I)cc1I)C(=O)O)CCCCC(=O)Nc2c(I)c(C(=O)O)c(I)cc2I Tox21_113504_1 -NCGC00091205-03 196717971 tox21-ror-cho-viability-p1 set2 4 8.1527120666 -12.9670072959 3.5 -9.4670072959 0.7999999999 0.7915754124 0.0095591958 2.5404571 1.99246629 0.5690423 3.45151724 3.58050813 5.60819745 5.72322713 5.29188936 2.75129711 -2.97501807 -1.05929299 0 -4.63468772 -6.21948791 -7.47250608 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00357091-01 196711990 tox21-ror-cho-viability-p1 set2 -3 2.9849294812 -44.2853201454 -6.225242531 -50.5105626764 4.4494702849 0.8754017055 0.0043552758 -2.8572626 -3.71206262 -3.95677139 -5.66261685 -2.4773941 -1.83459547 -5.93754077 -12.08806476 -13.60013303 -10.47555186 -8.94465856 -42.07187514 -23.35570926 -14.4678512 -5.96825075 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67233-85-6 3017748 251919729 F Sodium 2-methoxy-5-nitrophenolate [Na+].[O-]c1cc(ccc1OC)[N+]([O-])=O Tox21_303810 -NCGC00015207-12 196713622 tox21-ror-cho-viability-p1 set2 4 0.7497803863 -9.383666064 5.5 -3.883666064 0.9999999999 0.7319095426 0.0256039246 8.23287546 0.49639859 7.19981165 7.97506439 3.26558014 4.42241734 4.9866432 6.82729228 0.04380953 0.2852333 -0.18477216 -1.87545311 -4.62729702 -0.93065626 -5.31972172 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 73963-72-1 2754 170465347 A Cilostazol O=C1CCc2cc(ccc2N1)OCCCCc4nnnn4C3CCCCC3 Tox21_110098_1 -NCGC00357032-01 196712003 tox21-ror-cho-viability-p1 set2 -1.4 5.4482673282 -17.2984943433 -4.566000324 -21.8644946673 4.9549173134 0.5223989458 0.1583671373 -4.52689474 -7.4554134 -12.98239968 -7.39365564 -3.69264312 -2.02106226 -1.50137234 -5.99660495 -1.67756576 -1.60381351 -1.30500027 -26.07608897 -34.44165983 -2.19706084 -23.59927484 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-01-0 8501 251919858 F 4-Chlorobenzoyl chloride O=C(Cl)c1ccc(Cl)cc1 Tox21_303719 -NCGC00357109-01 196711985 tox21-ror-cho-viability-p1 set2 -2.4 4.2163249602 -19.76121888 -1 -20.76121888 2.3331733767 0.7630105516 0.0158292452 -0.2496032 1.35798849 0.64425652 1.18695083 1.26066164 -5.16037833 -0.15368735 0.24283683 -9.41295384 0.04349371 -6.45756412 -5.62404442 -27.7176824 -17.31093729 -17.40159477 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3118-97-6 5809936 251919754 A C.I. Solvent Orange 7 Cc3ccc(/N=N/c1c2ccccc2ccc1O)c(C)c3 Tox21_303836 -NCGC00160537-04 196711999 tox21-ror-cho-viability-p1 set2 -2.4 68.5896218971 -32.304784124 -4 -36.304784124 3.9294729863 0.7460093896 0.0207165538 -0.38184291 -2.60103388 -1.72520891 -4.92923189 -0.40567297 -8.14197133 -3.41101442 -2.77086627 -3.78584963 -13.50014159 1.87735594 -3.003284 -8.22840932 -6.06134949 -29.00398677 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00357152-01 196712405 tox21-ror-cho-viability-p1 set2 2.2 61.130564862 49.8626457081 2.769488755 52.6321344631 1.9673362061 0.9158408809 0.0001344344 2.35094468 8.35680717 1.41834634 -0.18215007 0.95862214 0.02752767 1.92412713 1.58693322 2.54046306 3.33002707 9.16759833 8.0594385 4.99509384 17.49175638 39.93716154 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4584-49-0 94294 251919674 2-Chloropropyldimethylamine hydrochloride Cl.CC(Cl)CN(C)C Tox21_303897 -NCGC00260606-01 196712407 tox21-ror-cho-viability-p1 set2 -2.4 16.7854920005 -35.6635219139 -1 -36.6635219139 0.5 0.4475926274 0.2260688821 -11.90800356 4.09089172 -0.88540015 -0.91056544 -0.36656288 -0.54289247 3.33487867 -3.07163263 -18.26803705 -4.26909756 -18.15761244 1.27347102 -11.90995327 -33.83600145 -17.25923511 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49502 144210259 M M NTP Mix9 AR1 8-EQC Tox21_203061 -NCGC00357226-01 196712409 tox21-ror-cho-viability-p1 set2 2.4 61.130564862 31.2241418199 -1.2241418199 30 0.3 0.6774515426 0.0490300016 -1.27675387 0.83476971 0.86529857 -1.43678485 1.00953779 1.22334932 6.50532702 9.30196437 9.66819842 1.91890089 8.69178196 6.98387715 9.84896347 8.25907252 22.17847006 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1121-78-4 14275 251919854 A 6-Methyl-3-hydroxypyridine Oc1cnc(C)cc1 Tox21_304013 -NCGC00260169-01 196712410 tox21-ror-cho-viability-p1 set2 4 -0.01989736 -1.25004523 -7.64582536 1.02652898 -0.69068573 -7.91852277 -5.7915571 -53.43572042 -9.67525143 -8.44339726 0 -16.78609365 1.05576306 -16.66187923 8.80330333 1.187E-9 2.6549999999E-9 5.936E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.318E-7 7.42E-7 0.000001659 0.0000037099999999 0.0000082959999999 0.00001855 0.000041479999999 0.000092749999999 174501-65-6 2734178 144209819 A A 1-Butyl-3-methylimidazolium tetrafluoroborate CCCCn1cc[n+](C)c1.F[B-](F)(F)F Tox21_202621 -NCGC00357048-01 196712418 tox21-ror-cho-viability-p1 set2 4 -6.68124363 -3.47577661 -6.66834051 -14.01526302 -9.56449788 -12.03990961 -14.44961548 -0.26840458 0.7989912 -12.84155091 -44.50087873 0 0 -6.94991579 -21.81348612 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 868-57-5 13357 251919958 Fc Methyl 2-methylbutyrate CC(CC)C(=O)OC Tox21_303742 -NCGC00357257-01 196712419 tox21-ror-cho-viability-p1 set2 2.4 68.5896218971 32.062561936 1.937438064 34 2.7202212143 0.8843268676 0.0006639937 -0.0217548 -0.88546828 -0.66973142 1.90243574 -0.10745075 0.41222653 2.91194149 5.55676067 4.38532586 -0.88302261 5.42319419 2.90127051 4.03707175 7.79571193 25.43295389 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 617-89-0 3438 251919923 Ac Furfurylamine NCc1ccco1 Tox21_304050 -NCGC00179536-02 196712816 tox21-ror-cho-viability-p1 set2 1.1 2.1131682429 89.0766531675 -2.5238538605 86.552799307 4.4494702849 0.9864722005 2.22E-8 -6.36706624 -3.68123426 0.34878167 -3.10615273 -2.7561621 -3.53173812 -0.58887653 -4.82144315 0.22715744 -0.27410812 27.08773731 91.30042121 88.35897002 76.00783232 63.53675698 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13292-46-1 5458213 170464760 A Rifampicin CN1CCN(CC1)/N=C/c3c2NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)C=CO[C@@]5(C)Oc4c(C)c(O)c(c2O)c(c3O)c4C5=O Tox21_111329_1 -NCGC00257613-01 196729872 tox21-ror-cho-viability-p1 set3 4 -1.38240748 0.51102897 -0.51687515 -3.2044777 -7.83574227 -25.51463309 0 -18.53781823 -23.86483243 0 0 0 -3.64574324 3.47630153 12.70240079 1.189E-9 2.6589999999E-9 5.946E-9 1.3289999999E-8 2.973E-8 6.647E-8 1.486E-7 3.3239999999E-7 7.4319999999E-7 0.000001662 0.000003716 0.000008309 0.000018579999999 0.000041549999999 0.0000929 171869-95-7 16212317 144207257 A A Palmatine chloride hydrate [Cl-].O.COc1cc2c3cc4ccc(OC)c(OC)c4c[n+]3CCc2cc1OC Tox21_200059 -NCGC00257814-01 196729454 tox21-ror-cho-viability-p1 set3 4 7.3620122 -1.40860604 0.8179186 -2.48381421 -0.98985251 -2.60802636 -0.54713034 2.53362472 2.12511267 -1.55947595 1.33004324 2.59402988 1.53043088 6.25242687 1.19485921 1.1779999999E-9 2.633E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.00000368 0.00000823 0.000018399999999 0.00004115 0.00009201 581-42-0 11387 144207458 A A 2,6-Dimethylnaphthalene Cc1ccc2cc(C)ccc2c1 Tox21_200260 -NCGC00258204-01 196729854 tox21-ror-cho-viability-p1 set3 4 2.50989966 -7.34744753 -6.53200032 -6.53745284 3.17819491 -7.25487979 4.42192562 -8.55796359 3.54534311 -9.70257025 -5.34941243 -13.55679294 -3.74703692 2.57889235 2.17912782 1.218E-9 2.7239999999E-9 6.092E-9 1.3619999999E-8 3.046E-8 6.811E-8 1.5229999999E-7 3.405E-7 7.6149999999E-7 0.000001703 0.0000038069999999 0.0000085139999999 0.000019039999999 0.00004257 0.00009518 598-78-7 11734 144207848 A B 2-Chloropropanoic acid CC(Cl)C(=O)O Tox21_200650 -NCGC00258779-01 196729864 tox21-ror-cho-viability-p1 set3 4 2.80438593 4.32917585 0.18046456 1.59013939 3.72528318 4.24410512 1.6699434 -1.26657506 -2.87447316 -0.32825569 -2.60109028 0.04253387 0.6285692 -0.69343312 1.21095151 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.00001842 0.0000412 0.00009212 4300-97-4 61345 144208425 A F 3-Chloro-2,2-dimethylpropanoyl chloride CC(C)(CCl)C(Cl)=O Tox21_201227 -NCGC00257856-01 196730266 tox21-ror-cho-viability-p1 set3 4 38.4139340205 7.0962120599 -2.5962120599 4.5 3.5117481694 0.369791098 0.3042685804 0.0380721 -3.61426596 -1.94052296 -0.20763168 1.29479913 -6.51486191 -3.00065027 -0.70614993 -1.84406174 -3.24882726 -1.0662475 -7.16351005 -5.89453413 1.96448872 3.87085102 1.1759999999E-9 2.63E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.576E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.00000822 0.000018379999999 0.0000411 0.0000919 2008-39-1 16180 144207500 A A 2,4-D, Dimethylamine salt Clc1cc(Cl)ccc1OCC(=O)O.CNC Tox21_200302 -NCGC00257879-01 196730278 tox21-ror-cho-viability-p1 set3 4 -6.22544246 -3.46752107 -6.27349286 0.78982289 -4.58978607 -6.65481013 -5.25385897 -14.47644494 0.69195385 -8.7123225 -0.52175985 0 -4.19303329 -4.74386975 0.3432524 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004133 0.000092409999999 535-80-8 447 144207523 A A 3-Chlorobenzoic acid OC(=O)c1cc(Cl)ccc1 Tox21_200325 -NCGC00258704-01 196730352 tox21-ror-cho-viability-p1 set3 4 -0.55735883 0.72192339 2.43202148 0.68586179 -2.32327619 0.37659469 0.2449962 1.86546627 -1.76119735 6.03270391 1.06568912 4.23248371 0.52789453 1.85406433 1.00489856 1.2359999999E-9 2.764E-9 6.18E-9 1.382E-8 3.09E-8 6.9099999999E-8 1.545E-7 3.4549999999E-7 7.7249999999E-7 0.000001727 0.000003863 0.000008637 0.000019309999999 0.00004319 0.000096569999999 286-20-4 9246 144208350 D Cyclohexene oxide C1CCCC2OC12 Tox21_201152 -NCGC00257050-01 196718308 tox21-ror-cho-viability-p1 set2 -2.1 51.6864653074 -81.2999193826 -0.1427417469 -81.4426611295 3.9899729863 0.9950501547 0 2.15267419 -0.70190919 -0.99553531 -0.05112417 0.41821758 -1.83020603 -0.45820704 -1.80433744 0.36097766 1.85502067 1.3641085 -0.39549789 0.79001723 -16.49769672 -69.27474328 1.026E-9 2.295E-9 5.132E-9 1.147E-8 2.5659999999E-8 5.737E-8 1.283E-7 2.8689999999E-7 6.4149999999E-7 0.000001434 0.0000032069999999 0.0000071719999999 0.00001604 0.00003586 0.00008018 3194-55-6 18529 144213493 A A 1,2,5,6,9,10-Hexabromocyclododecane BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br Tox21_303176 -NCGC00256329-01 196718325 tox21-ror-cho-viability-p1 set2 4 -0.23236639 0.65198466 0.28941715 -2.83084204 -7.89752879 0.10006519 -8.04534077 -7.07541481 -4.1508898 -8.41895432 -12.32186319 0.87934682 0.52800842 1.51418088 0.06747736 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81-07-2 5143 144213267 A A Saccharin O=C2NS(=O)(=O)c1ccccc12 Tox21_302950 -NCGC00257300-01 196718735 tox21-ror-cho-viability-p1 set2 -2.3 24.3365162115 -77.8098813847 -2.545266024 -80.3551474087 0.9999999999 0.9288849919 0.5483914836 -1.97836241 0.4108819 -6.46363334 -2.42218427 -7.19568015 -3.04792442 -1.92763948 -1.48696238 -2.8637109 -4.59897215 -6.96465415 -35.48340063 -29.15958853 14.92473669 -65.04177834 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 15625-89-5 27423 144213834 A A Trimethylolpropane triacrylate O=C(C=C)OCC(COC(=O)C=C)(CC)COC(=O)C=C Tox21_303527 -NCGC00256889-01 196719138 tox21-ror-cho-viability-p1 set2 4 -3.89189703 -4.2386514 1.59999828 0.22109433 -3.74229917 -3.4448952 -3.71391119 -0.7800526 -1.65176739 0.15382452 -1.70829685 -1.29015486 0.21538782 -5.0715627 -0.28675503 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5579-78-2 62583 144212779 A A epsilon-Decalactone O=C1CCCCC(CCCC)O1 Tox21_302462 -NCGC00257045-01 196719140 tox21-ror-cho-viability-p1 set2 4 0.18249164 -0.9767725 -0.98559693 -1.22617745 1.81018209 0.80720755 -0.07871416 0.74024391 2.18202629 1.96930557 1.7849437 2.04653865 0.31604538 0.52080603 2.37845886 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6983-79-5 6537494 144213412 F Fns Bixin C/C(=C\C=C\C(=O)OC)/C=C/C=C(\C)/C=C\C=C(/C)\C=C/C=C(/C)\C=C/C(=O)O Tox21_303095 -NCGC00257307-01 196719143 tox21-ror-cho-viability-p1 set2 4 -2.0596311 -4.4933321 -0.55200311 -0.46085368 -2.76726535 -3.67733264 -5.29450064 -0.67980054 -2.64988334 -2.5913376 -1.39467504 -2.18733658 0.31281668 1.74321024 -6.65178168 1.1799999999E-10 2.638E-10 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.298E-8 7.374E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 563-47-3 11241 144213914 Fns 3-Chloro-2-methylpropene C=C(C)CCl Tox21_303609 -NCGC00254329-01 196719580 tox21-ror-cho-viability-p1 set3 1.4 0.0136854288 25.773390388 -21.273390388 4.5 0.3 0.7464524306 0.0206306308 -14.10510242 -15.64449199 -4.28625736 -2.83955238 -9.65152911 -8.38838736 -4.91125328 -4.73128688 -0.7283472 0.91789099 -0.13441473 1.51889485 0.18107241 6.37861569 0.53134086 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7378-99-6 16224 144210667 FNS N,N-Dimethyloctylamine CN(C)CCCCCCCC Tox21_300349 -NCGC00254941-01 196719581 tox21-ror-cho-viability-p1 set3 4 0.0013685429 12.9850847159 -15.0232603399 -2.038175624 0.5 0.3501877723 0.3223054704 -8.03807122 -10.85271695 -0.33614894 -10.734559 -3.8948396 -0.03181302 -1.6517326 -4.61802968 -4.73720966 -4.01497522 -0.2927277 -3.01478103 -3.58454314 -2.37231255 -0.82902149 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-61-0 7710 144211356 A A gamma-Nonanolactone O=C1CCC(CCCCC)O1 Tox21_301039 -NCGC00254504-01 196719582 tox21-ror-cho-viability-p1 set3 4 2.43473382 8.87823423 4.1233434 4.11507257 5.44512555 2.25420988 6.5617449 -4.94804675 15.25968122 12.04751565 -5.34875587 11.45073896 8.66670104 11.12037973 -0.38595043 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-62-1 8892 144210724 A A Hexanoic acid CCCCCC(=O)O Tox21_300406 -NCGC00254076-01 196720032 tox21-ror-cho-viability-p1 set3 4 -5.89638678 0.39918169 -3.90120748 -3.98273596 0.16334388 -2.84131947 -5.47819692 0.42709852 0.06282606 2.57922929 5.53531611 -0.42526034 -2.70808135 -2.98522779 -2.50482045 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-59-8 7057 144210368 A A 2-Naphthylamine Nc1ccc2ccccc2c1 Tox21_300048 -NCGC00254480-01 196719601 tox21-ror-cho-viability-p1 set3 4 11.97722363 7.04212199 11.26858579 -5.46416151 9.95139616 4.28094782 11.71318764 9.50254235 5.69226021 11.96022932 -2.88377373 10.42722632 8.73002882 6.05846297 -1.16107464 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 162706-14-1 9926621 144210787 A A UK-156819 O=C(O)CCCCn2c1ccccc1c(c2C)c3cccnc3 Tox21_300469 -NCGC00254846-01 196720019 tox21-ror-cho-viability-p1 set3 4 0.0024336516 15.1927596719 -20.3342563999 -5.141496728 0.5 0.4685692499 0.2253834536 -14.59588151 -15.278547 -7.01470219 -6.95855717 -11.31486411 -11.93926602 -4.14747027 -6.10782053 -6.40811944 -2.61791394 -4.75933267 -4.61971976 -4.98714262 -11.58751755 -19.73827771 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121552-61-2 86367 144211261 A A Cyprodinil Cc2cc(nc(Nc1ccccc1)n2)C3CC3 Tox21_300944 -NCGC00254307-01 196720028 tox21-ror-cho-viability-p1 set3 4 -1.26619751 -10.63102128 -1.32218997 -0.13223455 -2.67400413 -1.7371816 3.37901228 3.91113199 -8.16383618 2.78110359 -5.87610798 -7.7733102 -8.64623527 -5.74464164 -4.45342165 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-56-0 1349907 144210850 A A Methimazole S=C1NC=CN1C Tox21_300532 -NCGC00258489-01 196715672 tox21-ror-cho-viability-p1 set2 4 -0.71027207 -0.47013548 -0.87834488 -3.66664309 -2.10286021 -0.97456042 0.92071484 0.46304889 -1.12849589 -0.34199279 -3.0840569 -3.40820762 1.53585196 0.88802844 -0.72378311 1.14E-9 2.55E-9 5.7019999999E-9 1.2749999999E-8 2.851E-8 6.375E-8 1.426E-7 3.1879999999E-7 7.128E-7 0.000001594 0.000003564 0.000007969 0.00001782 0.00003985 0.000089099999999 97-61-0 7341 144208133 A A 2-Methylpentanoic acid CC(CCC)C(=O)O Tox21_200935 -NCGC00258376-01 196715666 tox21-ror-cho-viability-p1 set2 4 5.17703859 2.63709025 2.87392947 1.79249535 2.38402299 0.176085 2.06201267 6.16753587 4.68304384 3.68798636 1.4358995 -0.35840453 4.493638 2.87356848 4.65614884 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041219999999 0.00009218 75-52-5 6375 144208020 AC Bc Nitromethane [O-][N+](C)=O Tox21_200822 -NCGC00258021-01 196715668 tox21-ror-cho-viability-p1 set2 4 3.31321208 2.69405327 1.77049819 2.5747169 2.91736714 4.90196614 3.84535861 2.24824135 1.78970698 0.13237874 2.03305003 6.67646087 -1.52704555 4.38114391 -0.36517978 1.1739999999E-9 2.625E-9 5.87E-9 1.3129999999E-8 2.9349999999E-8 6.5629999999E-8 1.468E-7 3.282E-7 7.338E-7 0.000001641 0.000003669 0.000008204 0.00001834 0.00004102 0.00009172 38103-06-9 94483 144207665 A B 5,5'-[Propane-2,2-diylbis(benzene-4,1-diyloxy)]bis(2-benzofuran-1,3-dione) O=C1OC(=O)c2ccc(cc12)Oc3ccc(cc3)C(C)(C)c4ccc(cc4)Oc5ccc6C(=O)OC(=O)c6c5 Tox21_200467 -NCGC00258695-01 196715670 tox21-ror-cho-viability-p1 set2 4 4.49466798 0.54796414 -0.82547001 3.90435521 0.38968011 5.08404489 0.65453163 0.38127524 4.27154518 -0.12345829 2.53879204 5.35546338 0.48698253 1.40181554 -2.49404888 1.187E-9 2.6549999999E-9 5.936E-9 1.327E-8 2.968E-8 6.6359999999E-8 1.484E-7 3.318E-7 7.42E-7 0.000001659 0.0000037099999999 0.0000082959999999 0.00001855 0.000041479999999 0.000092749999999 32534-81-9 36159 144208341 I Pentabromodiphenyl ether Brc2cc(Oc1ccc(Br)cc1Br)c(Br)cc2Br Tox21_201143 -NCGC00258697-01 196716071 tox21-ror-cho-viability-p1 set2 4 -2.33187947 -1.54209147 -0.54061367 -2.38505549 0.26367745 -0.65209635 -3.56214209 -2.73816091 0.03464883 0.76432471 -2.63241985 0.51843948 -0.21936702 -3.38181386 -0.59720153 1.188E-9 2.657E-9 5.941E-9 1.3279999999E-8 2.9699999999E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016609999999 0.000003713 0.000008303 0.00001856 0.000041509999999 0.00009282 4861-85-2 62553 144208343 A A Isopropyl phenylacetate CC(C)OC(=O)Cc1ccccc1 Tox21_201145 -NCGC00258316-01 196716077 tox21-ror-cho-viability-p1 set2 4 3.27805306 0.89658355 0.37400239 -0.12281642 3.44735046 0.58842009 1.25616016 1.5541562 0.38800454 2.66086148 2.09139649 3.25454312 1.37825204 -0.51119241 4.12087074 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.312E-7 7.405E-7 0.000001656 0.000003702 0.000008279 0.00001851 0.0000414 0.00009256 57-48-7 439709 144207960 D D-Fructose O[C@H]1[C@H](O)[C@@H](CO)O[C@]1(O)CO Tox21_200762 -NCGC00258239-01 196716078 tox21-ror-cho-viability-p1 set2 4 1.23487613 0.15411194 2.12336106 -0.37698301 -2.51502012 -1.42440854 1.43354148 1.78367643 1.98647762 1.96704955 0.76182402 -3.59557419 -1.97292709 -1.93752357 2.28345221 1.187E-9 2.653E-9 5.9329999999E-9 1.327E-8 2.966E-8 6.633E-8 1.4829999999E-7 3.316E-7 7.416E-7 0.0000016579999999 0.000003708 0.000008291 0.00001854 0.00004145 0.0000927 102-16-9 60999 144207883 A A Benzyl phenylacetate O=C(OCc1ccccc1)Cc2ccccc2 Tox21_200685 -NCGC00258609-01 196716080 tox21-ror-cho-viability-p1 set2 4 2.96482898 4.39375946 0.85938429 -0.83962034 0.88649723 0.98158897 0.90732009 4.38065032 -16.92540282 -2.6109496 5.76267663 1.51687573 4.72528542 5.77137711 0.71280069 1.191E-9 2.663E-9 5.955E-9 1.332E-8 2.977E-8 6.6579999999E-8 1.489E-7 3.3289999999E-7 7.4439999999E-7 0.0000016639999999 0.0000037219999999 0.000008322 0.00001861 0.000041609999999 0.00009305 87-99-0 6912 144208254 A Xylitol O[C@H](CO)[C@H](O)[C@@H](O)CO Tox21_201056 -NCGC00258172-01 196716516 tox21-ror-cho-viability-p1 set2 4 55.9263877464 12 2 14 0.7999999999 0.7158607452 0.0324685923 4.49032507 1.80849062 1.43995413 0.71226233 3.13981425 3.88073931 0.37359456 3.81051649 2.97046593 4.15256145 1.66036184 4.03049891 5.63905287 6.16749215 10.78953957 1.206E-9 2.697E-9 6.0309999999E-9 1.349E-8 3.016E-8 6.743E-8 1.5079999999E-7 3.372E-7 7.539E-7 0.0000016859999999 0.00000377 0.000008429 0.00001885 0.000042149999999 0.000094239999999 110-13-4 8035 144207816 A A 2,5-Hexanedione CC(=O)CCC(C)=O Tox21_200618 -NCGC00258499-01 196716105 tox21-ror-cho-viability-p1 set2 4 0.0002317825 -35.26834709 -29.98233027 -29.09717801 -20.20689235 -22.0598962 -7.66527639 -14.33051782 -8.56766766 -8.30295808 -1.80303525 -9.39621766 1.35222695 0.75700688 2.73592924 -5.97579004 1.171E-9 2.618E-9 5.8549999999E-9 1.3089999999E-8 2.927E-8 6.546E-8 1.464E-7 3.2729999999E-7 7.3189999999E-7 0.000001637 0.0000036589999999 0.000008183 0.0000183 0.000040909999999 0.00009148 320-60-5 9443 144208144 AC Fns 2,4-Dichlorobenzotrifluoride FC(F)(F)c1ccc(Cl)cc1Cl Tox21_200946 -NCGC00095042-06 196716109 tox21-ror-cho-viability-p1 set2 4 3.68370521 3.40803357 0.28625946 0.1745194 0.81124556 5.19970947 1.84464182 2.71758442 1.98440372 0.24271619 2.0033043 2.52976843 -0.51597549 -0.12272372 1.36577734 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00258250-01 196716112 tox21-ror-cho-viability-p1 set2 4 -2.21962998 -0.18763618 -4.03961065 -1.88229025 -0.56755871 0.9378518 -0.9547214 -1.11930987 -1.21631702 -2.39891091 0.47640364 -5.04645921 -1.55547228 0.1000985 -0.39666634 1.164E-9 2.6039999999E-9 5.822E-9 1.302E-8 2.911E-8 6.509E-8 1.4549999999E-7 3.254E-7 7.2769999999E-7 0.0000016269999999 0.000003639 0.000008136 0.00001819 0.00004068 0.000090959999999 506-59-2 10473 144207894 N-Methylmethanamine hydrochloride Cl.CNC Tox21_200696 -NCGC00258476-01 196716530 tox21-ror-cho-viability-p1 set2 4 -5.70251966 -6.24821831 -2.65271878 -4.10450398 -2.62209722 0.10804324 -0.43963894 -4.97954965 0.14363539 0.16530654 -2.8259641 0.66361373 -0.96250139 -1.54961679 0.74589677 1.203E-9 2.6889999999E-9 6.013E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003758 0.000008404 0.000018789999999 0.00004202 0.000093959999999 315-30-0 2094 144208120 A A Allopurinol Oc2ncnc1nncc12 Tox21_200922 -NCGC00256304-01 196728411 tox21-ror-cho-viability-p1 set3 1.2 0.1933118196 43.474252125 -4.83424798 38.640004145 0.3 0.9058980768 0.0004408865 -0.69520665 1.37318308 9.48379425 4.85513738 11.09861513 16.21158916 21.51280114 18.87455297 14.20423066 23.92415082 25.05998674 29.8557888 29.0583273 34.04444905 22.14508588 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4062-60-6 77680 144211836 A Ac N,N'-Di-tert-butylethane-1,2-diamine CC(C)(C)NCCNC(C)(C)C Tox21_301519 -NCGC00015060-14 196728396 tox21-ror-cho-viability-p1 set3 4 4.8261600053 -8.297027044 1.5 -6.797027044 4.9549173134 0.554013851 0.1486408012 -2.7438587 4.15525274 3.96837043 2.41782721 0.28613302 3.4632962 1.51283271 2.57316829 0.76465576 -4.32742005 2.29154636 -11.08085587 -7.05384996 -2.57270112 12.25974577 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00255464-01 196728400 tox21-ror-cho-viability-p1 set3 4 -4.50326047 -0.34028197 1.48714467 2.87071664 4.29608401 6.18865728 6.87577708 0.35501214 -2.41212771 2.92166446 4.60581877 1.64797128 3.00561221 -6.38372024 0.29418499 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 8000-41-7 17100 144212615 A B Terpineol CC1=CCC(CC1)C(O)(C)C Tox21_302298 -NCGC00255209-01 196728407 tox21-ror-cho-viability-p1 set3 -2.1 74.5361716118 -110.2040525023 -1.565351038 -111.7694035403 3.9899729863 0.9815456652 2.98E-8 3.88881125 -3.14663118 -1.12239397 -3.75461191 -0.29829818 -2.39437437 -1.9326722 -3.82108643 -0.24489615 0.85031539 -0.12392069 -10.43684773 0.85306628 -19.55355792 -91.76469913 1.392E-9 3.113E-9 6.96E-9 1.556E-8 3.4799999999E-8 7.7819999999E-8 1.7399999999E-7 3.891E-7 8.6999999999E-7 0.000001945 0.00000435 0.000009727 0.00002175 0.000048639999999 0.00010879999999 8001-54-5 8753 144212382 C C Benzalkonium chloride [Cl-].C[N+](C)(Cc1ccccc1)CCCCCCCCCCCC Tox21_302065 -NCGC00256128-01 196728414 tox21-ror-cho-viability-p1 set3 4 0.87333475 -2.07022478 0.41269797 -5.27335664 0.20526526 -9.07976401 -3.83884729 -5.39104166 3.82185233 4.52508377 2.17179543 -8.11121605 -0.4166812 -1.31079602 1.52334064 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60875-16-3 109029 144212133 A D 4-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid O=C(O)c1ccc(cc1)N2N=C(C)CC2=O Tox21_301816 -NCGC00256116-01 196728816 tox21-ror-cho-viability-p1 set3 4 0.33521929 0.97656914 2.36562394 -1.47932954 -1.35822171 -2.89838337 3.92619845 3.29616748 4.46011732 3.54665234 2.09253039 -0.99121697 0.47794589 -1.05331241 3.5364061 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2318-25-4 75345 144211900 D F Ethyl 3-ethoxy-3-iminopropionate hydrochloride Cl.O=C(CC(=N)OCC)OCC Tox21_301583 -NCGC00255208-01 196728817 tox21-ror-cho-viability-p1 set3 4 4.84217738 -4.74925813 -1.42028182 -2.46731042 0.94482678 0.7979262 5.05007612 -1.52521201 0.89056597 -0.20938618 1.4741166 -5.46935919 -2.35227148 -0.0835668 0.1560783 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 928-97-2 5284503 144212289 A (E)-3-Hexen-1-ol CC\C=C\CCO Tox21_301972 -NCGC00183841-01 196725988 tox21-ror-cho-viability-p1 set3 4 7.4942003 8.03081621 10.2763732 -4.28138079 1.80029462 7.5592598 2.70727074 10.14406195 -2.34483864 13.36468247 3.71773101 10.67999695 1.66440563 -0.34165414 12.10239085 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 22661-76-3 31473 144206871 A A Amoproxan COc1cc(cc(OC)c1OC)C(=O)OC(CN2CCOCC2)COCCC(C)C Tox21_113320 -NCGC00159483-04 196725979 tox21-ror-cho-viability-p1 set3 4 1.41006742 6.06554301 1.65322784 -0.59495213 4.06696181 -0.08037409 -1.20632477 0.98349843 1.24549631 2.50202412 0.96385976 -0.75758839 0.54366816 2.11834805 -2.14028101 5.899E-11 1.319E-10 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 747-36-4 12947 170464696 F Hydroxychloroquine sulfate O=S(=O)(O)O.CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 Tox21_111707_1 -NCGC00253721-01 196725982 tox21-ror-cho-viability-p1 set3 4 1.7957501 1.82925032 0.38515531 -2.47665664 4.54509255 3.61257208 -4.67184856 5.54541388 8.10705084 -1.88789442 3.60281753 3.92910492 2.4898969 8.66407378 7.95854026 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 620-20-2 12103 170466770 F C 1-Chloro-3-(chloromethyl)-benzene ClCc1cc(Cl)ccc1 Tox21_113840 -NCGC00094525-09 196725985 tox21-ror-cho-viability-p1 set3 -3 7.4978038628 -45.2906141503 -2.5 -47.7906141503 4.9549173134 0.8494186411 0.0054725754 -11.52049856 0 -7.60337623 0.93399419 1.0519545 -5.00807026 1.14937187 -5.24104409 -3.1585912 -0.63578989 -2.00169545 -1.33948987 -36.20501072 -5.60659372 -20.97065265 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 330-54-1 3120 170466802 A Diuron Clc1ccc(NC(=O)N(C)C)cc1Cl Tox21_111292_1 -NCGC00257341-01 196726391 tox21-ror-cho-viability-p1 set3 4 61.130564862 -18.2053578 3 -15.2053578 3.2974983358 0.59371313 0.1019817079 -1.28364031 5.64798117 5.04366776 -0.59440387 1.08806796 0.18706451 7.48097041 5.5664886 6.93982749 0.44208561 5.75331055 -0.70930034 0.12899542 -0.14670314 -11.4211315 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17696-62-7 87250 144213894 A A Phenylparaben O=C(Oc1ccccc1)c2ccc(O)cc2 Tox21_303589 -NCGC00258436-01 196701632 tox21-ror-cho-viability-p1 set1 4 0.07258967 -5.928903 -3.09840534 -0.30044312 -1.11727465 0.33028598 -0.53905775 -5.97223356 -0.0211717 -4.39551155 -9.86968707 -0.6406606 -3.57695308 -0.31671255 2.93852694 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.397E-7 0.0000016539999999 0.0000036979999999 0.0000082699999999 0.000018489999999 0.00004135 0.000092459999999 2107-76-8 5354284 144208080 A A 5,7-Dihydroxy-4-methylcoumarin Oc2cc(O)cc1OC(=O)C=C(C)c12 Tox21_200882 -NCGC00258368-01 196701617 tox21-ror-cho-viability-p1 set1 4 4.89401829 0.35825671 -0.7905273 6.02194831 5.92941582 1.75256224 2.42988874 2.15391017 2.64803236 0.21961979 0.71747451 3.13632967 3.53770451 2.5544243 1.66196785 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.00000389 0.0000086969999999 0.00001945 0.00004349 0.000097239999999 10025-87-3 24813 144208012 Phosphoric trichloride ClP(Cl)(Cl)=O Tox21_200814 -NCGC00257717-01 196701630 tox21-ror-cho-viability-p1 set1 4 5.05472929 0.36131036 0.25103573 0.35239336 -10.29884901 1.09300468 0.36078125 1.62404633 -0.38804042 -0.2855444 0.69068552 1.36128042 2.34722536 -0.02117353 5.56934185 1.2049999999E-9 2.695E-9 6.0249999999E-9 1.347E-8 3.013E-8 6.736E-8 1.506E-7 3.368E-7 7.5309999999E-7 0.0000016839999999 0.000003766 0.0000084199999999 0.000018829999999 0.0000421 0.000094139999999 628-13-7 10176127 144207361 A D Pyridine hydrochloride Cl.c1ccccn1 Tox21_200163 -NCGC00257745-01 196702030 tox21-ror-cho-viability-p1 set1 -2.4 42.2230305019 -38.3460104 4 -34.3460104 1.8851180601 0.9201875287 0.0001023284 2.43328139 3.0279043 0.66360817 6.53189037 1.82041995 7.81032151 9.08066704 2.17870542 3.30957694 4.05688777 -0.52218275 1.1974727 -0.29074354 -15.39744131 -26.538342 1.156E-9 2.585E-9 5.781E-9 1.293E-8 2.8899999999E-8 6.463E-8 1.4449999999E-7 3.231E-7 7.226E-7 0.000001616 0.000003613 0.000008079 0.000018059999999 0.00004039 0.000090319999999 99-98-9 7472 144207389 B N,N-Dimethyl-p-phenylenediamine Nc1ccc(cc1)N(C)C Tox21_200191 -NCGC00258776-01 196702041 tox21-ror-cho-viability-p1 set1 4 26.7515892221 7.73068578 0.76931422 8.5 4.9549173134 0.5224084406 0.1794216934 -1.40280206 0.48906454 0.39375493 0.83338775 -0.84753494 2.48687379 2.39811322 4.30673549 1.67663384 2.04960795 0.15718001 -2.69223815 1.73864539 7.6849478 2.67388268 1.16E-9 2.594E-9 5.7999999999E-9 1.297E-8 2.9E-8 6.485E-8 1.45E-7 3.2419999999E-7 7.2499999999E-7 0.000001621 0.000003625 0.000008106 0.000018129999999 0.00004053 0.000090629999999 108-88-3 1140 144208422 FNS Toluene Cc1ccccc1 Tox21_201224 -NCGC00257864-01 196702048 tox21-ror-cho-viability-p1 set1 4 -9.63884515 -2.80044669 -5.18366031 -1.69224388 -4.2920251 -1.66748925 -8.44255687 -6.61578133 -1.78852685 -7.53214978 -10.10106556 -0.80700511 -6.48342148 -7.52688399 -4.53810196 1.1999999999E-9 2.683E-9 5.999E-9 1.3409999999E-8 2.999E-8 6.707E-8 1.5E-7 3.353E-7 7.499E-7 0.000001677 0.000003749 0.000008384 0.00001875 0.00004192 0.00009373 3101-60-8 18360 144207508 A F tert-Butyl phenyl glycidyl ether CC(C)(C)c2ccc(OCC1CO1)cc2 Tox21_200310 -NCGC00258216-01 196702446 tox21-ror-cho-viability-p1 set1 -2.4 21.1396786455 -32.199414564 -8.217133528 -40.416548092 0.4 0.6489878417 0.0646451566 -10.27891249 -3.51427794 -13.89538165 -4.19190632 -15.35380129 -9.09974907 -13.19644407 -19.45445078 -16.28447902 -19.7619395 -7.37929614 -19.5329096 -28.75415679 -24.34705685 -30.34712341 1.155E-9 2.582E-9 5.7739999999E-9 1.291E-8 2.887E-8 6.456E-8 1.444E-7 3.2279999999E-7 7.2179999999E-7 0.000001614 0.0000036089999999 0.00000807 0.000018049999999 0.00004035 0.00009023 144-79-6 67349 144207860 A A Chloro(methyl)diphenylsilane C[Si](Cl)(c1ccccc1)c2ccccc2 Tox21_200662 -NCGC00016327-11 196697909 tox21-ror-cho-viability-p1 set1 4 1.6543091 4.7822366 2.17496592 -0.82524146 1.20307127 1.01333402 1.49044532 -1.90624744 0.3509345 -0.93941196 2.80561541 1.20314526 1.10902361 -0.8389256 -0.11962699 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82-02-0 3828 170466493 A Khellin COc3c1c(OC(C)=CC1=O)c(OC)c2occc23 Tox21_110374_1 -NCGC00167455-02 196697891 tox21-ror-cho-viability-p1 set1 4 0.21416439 -4.30987694 0.29713279 -3.12193288 -0.24980982 -0.72886298 -3.62476958 -5.19453473 0.34545181 -0.28992738 -0.11788744 -0.4775002 -2.82655801 2.53041353 3.46963493 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 81872-10-8 72179 170465605 A Zofenopril O=C([C@@H](C)CSC(=O)c1ccccc1)N3C[C@@H](Sc2ccccc2)C[C@H]3C(=O)O Tox21_112459_1 -NCGC00262930-01 196697904 tox21-ror-cho-viability-p1 set1 4 0.2537911 2.15491538 0.04388494 3.02374197 1.46028956 3.40912143 1.12526942 2.49384079 -0.66221979 0.83814147 1.08922637 1.86430739 -0.49888641 0.31587498 1.5049897 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 38234-21-8 188304 170466642 A A Fertirelin O=C(NCC)[C@@H]6CCCN6C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3cnc2ccccc23)NC(=O)[C@H](Cc4cncn4)NC(=O)[C@@H]5CCC(=O)N5 Tox21_113925 -NCGC00094532-06 196697905 tox21-ror-cho-viability-p1 set1 4 1.8219494 -3.86912054 2.75056926 0.44240799 -1.63436026 0.65042266 1.35374693 -3.15658047 -3.79896196 1.61000684 3.95183276 -2.06397562 1.92543328 0.5856546 1.5228782 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00182998-01 196697913 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -18.14264046 0 -18.14264046 4.9549173134 0.6872422516 0.0443504903 -1.15069113 3.20417155 1.9703812 2.81657472 0.87428576 -1.19162006 0.00294502 -8.19166364 -0.07158595 0.70590991 -1.07693185 0.19067633 1.4584057 -1.81232601 -15.11886705 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14008-48-1 26391 144206872 A A Bisoxatin acetate CC(=O)Oc1ccc(cc1)C2(Oc3ccccc3NC2=O)c4ccc(OC(C)=O)cc4 Tox21_113321 -NCGC00255283-01 196700213 tox21-ror-cho-viability-p1 set1 4 24.3365162115 10.6399481319 -1.6399481319 9 4.9549173134 0.3616635445 0.3261862781 -0.15246247 -0.32806254 -3.28235075 -0.35853768 0.6970635 0.88879709 0.28304704 -3.12682076 -9.28329011 -2.14959399 5.18433691 -6.01057575 0.77627677 8.02938728 -4.56847703 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 496-46-8 62347 144211709 F A Glycoluril O=C1NC2NC(=O)NC2N1 Tox21_301392 -NCGC00255121-01 196700227 tox21-ror-cho-viability-p1 set1 4 -5.86920401 0.22857604 -5.11172902 -6.44112618 -3.98037038 -3.59012098 -2.16830115 -2.0229873 -1.93710217 -1.06505255 -0.44225713 0.37617621 -2.80215529 -3.51849684 -7.80235616 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 70124-77-5 12797557 144212571 A I Flucythrinate FC(F)Oc1ccc(cc1)[C@H](C(C)C)C(=O)OC(C#N)c3cc(Oc2ccccc2)ccc3 Tox21_302254 -NCGC00256133-01 196700626 tox21-ror-cho-viability-p1 set1 -2.2 30.6378586933 -54.4486668106 -6.377989721 -60.8266565316 2.0478617061 0.9406500033 0.0000213204 -13.71662582 -13.32867574 -4.5504452 -6.78180807 -9.64217671 -7.40920934 -2.83051576 -0.67808354 -5.88681703 -5.88097979 -11.00251828 -6.77539972 -21.50814148 -40.10101199 -56.32097827 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1134-04-9 70811 144211567 A 2,3,4,5-Tetrachloro-6-(trichloromethyl)pyridine Clc1c(Cl)c(nc(Cl)c1Cl)C(Cl)(Cl)Cl Tox21_301250 -NCGC00259344-01 196721039 tox21-ror-cho-viability-p1 set3 4 27.4727179077 6.737741004 -5.237741004 1.5 4.9549173134 0.5464766314 0.1409905277 -2.13198359 -5.43358205 -5.12332102 -1.40569033 -5.56176959 -6.80278205 -4.73819071 -4.81419515 -6.67421554 -5.34261632 -5.50581801 -5.61804298 -8.11478417 3.22018419 -0.59138378 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 76-25-5 6436 144208993 A A Triamcinolone acetonide OCC(=O)[C@@]54OC(C)(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_201795 -NCGC00259764-01 196721030 tox21-ror-cho-viability-p1 set3 4 34.4112047096 11.043343704 -8.043343704 3 4.9549173134 0.5417397014 0.142844894 -12.95278642 -7.63817973 -5.41708558 -0.30365085 -11.25716038 -10.61639311 -9.70668582 -7.88138839 -7.48256578 -4.17793092 -5.37989484 -12.46560509 -9.46235354 0.64080941 3.84313027 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004125 0.00009223 118-71-8 8369 144209413 A A Maltol CC=1OC=CC(=O)C=1O Tox21_202215 -NCGC00258927-01 196721031 tox21-ror-cho-viability-p1 set3 4 -5.46931488 -3.46968858 2.57030832 -2.81372247 -5.96097281 -5.91005851 -2.42722355 -6.9481837 -6.53819027 0.03703802 -1.94194104 -2.2665189 -3.12680443 1.85559669 -1.04372618 1.123E-9 2.51E-9 5.6129999999E-9 1.255E-8 2.806E-8 6.275E-8 1.403E-7 3.138E-7 7.016E-7 0.000001569 0.0000035079999999 0.000007844 0.000017539999999 0.000039219999999 0.0000877 51218-45-2 4169 144208574 A A Metolachlor ClCC(=O)N(C(C)COC)c1c(C)cccc1CC Tox21_201376 -NCGC00259651-01 196721032 tox21-ror-cho-viability-p1 set3 -2.2 44.5565504946 -35.6942367319 -5.203273036 -40.8975097679 0.9999999999 0.8737145417 0.0010102709 -7.50672724 -5.93904654 -4.94194901 -1.00272753 -3.10381918 -9.14442171 -8.64536744 -5.05861293 -5.78244745 -6.13054167 -9.38950546 -14.42803819 -14.02529751 -17.89576749 -34.08125814 1.2089999999E-9 2.703E-9 6.0429999999E-9 1.3509999999E-8 3.022E-8 6.757E-8 1.511E-7 3.3779999999E-7 7.5539999999E-7 0.000001689 0.000003777 0.000008446 0.00001889 0.000042229999999 0.00009443 98-00-0 7361 144209300 A B Furfuryl alcohol OCc1ccco1 Tox21_202102 -NCGC00259386-01 196721050 tox21-ror-cho-viability-p1 set3 4 -7.02707124 -4.00770289 -6.25277329 -4.68050725 -0.73765676 -6.17058194 -3.24573669 -4.18947329 -8.1358272 0.01114915 -3.63155899 -7.10016472 -3.60245006 0.97487079 -1.16625158 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.56E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003667 0.0000082 0.00001834 0.000041 0.00009168 680-31-9 12679 144209035 A A Hexamethylphosphoramide CN(C)P(=O)(N(C)C)N(C)C Tox21_201837 -NCGC00159417-06 196721428 tox21-ror-cho-viability-p1 set3 -2.1 55.7594848687 -107.164040186 -3.784045084 -110.94808527 1.8851180601 0.9830469483 1.82E-8 -5.46536479 -5.43715635 -2.2941565 3.78887109 -2.44310008 -7.33666603 -5.61715837 -4.60980758 -4.17603726 -3.69830368 -4.62405433 -6.35076862 -20.27221071 -40.28211286 -84.05157975 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00259501-01 196721432 tox21-ror-cho-viability-p1 set3 4 43.4532278581 10.9323758959 -8.4323758959 2.5 3.1319983358 0.4296430032 0.2447005179 -10.90463249 -5.17638821 -0.46518785 -6.26290896 -11.41884775 -11.62189985 -10.42416674 -11.66180114 -5.74548793 -5.86973059 -10.2871357 -12.44364658 -7.33250429 -3.37109259 1.72118537 1.1839999999E-9 2.647E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.619E-8 1.4799999999E-7 3.309E-7 7.4E-7 0.000001655 0.0000037 0.0000082729999999 0.0000185 0.00004137 0.0000925 122-20-3 24730 144209150 A A Triisopropanolamine CC(O)CN(CC(C)O)CC(O)C Tox21_201952 -NCGC00259384-01 196721443 tox21-ror-cho-viability-p1 set3 4 -6.47682944 -1.9442545 -1.94121373 -8.2132979 -1.66468762 -7.14809817 -5.4537799 -2.90191879 -4.04835404 -4.34491084 -3.91885327 -3.23787708 -1.8319802 -4.45179347 -4.51365226 1.189E-9 2.6589999999E-9 5.946E-9 1.3289999999E-8 2.973E-8 6.647E-8 1.486E-7 3.3239999999E-7 7.4319999999E-7 0.000001662 0.000003716 0.000008309 0.000018579999999 0.000041549999999 0.0000929 206-44-0 9154 144209033 A A Fluoranthene c1cccc4c1c2cccc3cccc4c23 Tox21_201835 -NCGC00259317-01 196721448 tox21-ror-cho-viability-p1 set3 4 34.8662461756 10.283875684 -3.283875684 7 4.9549173134 0.5719817376 0.118681879 -7.35536593 -0.19894943 2.42427616 -10.23656307 -2.93610231 -3.51666387 -4.12180678 -3.99639138 -1.88691008 -2.49730166 -2.25591086 -2.47872509 -3.00584335 4.56063374 7.37405371 1.194E-9 2.67E-9 5.9709999999E-9 1.335E-8 2.985E-8 6.676E-8 1.493E-7 3.338E-7 7.464E-7 0.000001669 0.000003732 0.000008345 0.00001866 0.00004172 0.00009329 90-12-0 7002 144208966 A Ac 1-Methylnaphthalene Cc2cccc1ccccc12 Tox21_201768 -NCGC00258375-01 196730283 tox21-ror-cho-viability-p1 set3 4 0.0087316057 103.9363361751 -101.8243849647 2.1119512104 2.3331733767 0.9844715566 1.09E-8 -97.53293579 -94.06256264 -79.80785629 -25.07152858 6.31466122 8.06462473 2.90805214 -1.48012304 3.14722455 5.98628737 0.83095414 -1.68098771 -0.72758263 -4.09346929 1.42693265 1.191E-9 2.663E-9 5.956E-9 1.332E-8 2.978E-8 6.6579999999E-8 1.489E-7 3.3289999999E-7 7.4439999999E-7 0.000001665 0.0000037219999999 0.000008323 0.00001861 0.00004162 0.00009306 612-23-7 11921 144208019 D 2-Nitrobenzyl chloride O=[N+]([O-])c1ccccc1CCl Tox21_200821 -NCGC00091351-03 196729042 tox21-ror-cho-viability-p1 set3 4 40.1845210834 -12.5537606239 4.5 -8.0537606239 3.0654483358 0.3628467371 0.3079163546 -0.46573447 14.40081562 9.40727488 1.69745434 6.36726857 -2.6125388 7.7436507 1.26745039 -2.15153718 3.25027263 7.37683344 5.54583044 4.27348769 -2.47729125 -7.54480052 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00258714-01 196729435 tox21-ror-cho-viability-p1 set3 4 30.3265518896 -19.1289379559 0.5 -18.6289379559 0.7999999999 0.9026358823 0.000285852 0.45201026 1.45313861 1.36263074 -0.92719811 1.29055277 -0.09503262 0.35361621 -0.5919664 -0.86762492 1.38142501 -5.14195514 -5.20025709 -6.32601054 -7.73817169 -14.69078163 1.1699999999E-9 2.6159999999E-9 5.85E-9 1.3079999999E-8 2.925E-8 6.54E-8 1.462E-7 3.27E-7 7.3119999999E-7 0.000001635 0.000003656 0.000008176 0.00001828 0.00004088 0.00009141 1562-94-3 15277 144208360 A A 4-Azoxyanisole COc2ccc(\N=[N+](\[O-])c1ccc(OC)cc1)cc2 Tox21_201162 -NCGC00257808-01 196729445 tox21-ror-cho-viability-p1 set3 4 0.67182027 -1.86299167 0.86313234 -8.26820399 1.61471015 2.55659823 1.17971035 -8.85993261 -0.49224818 -0.4571342 0.19069067 -1.07138692 0.11092732 1.86411348 2.20227384 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.5809999999E-8 1.472E-7 3.291E-7 7.358E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.00004113 0.00009198 92-66-0 7101 144207452 A A 4-Bromobiphenyl Brc1ccc(cc1)c2ccccc2 Tox21_200254 -NCGC00091380-04 196729449 tox21-ror-cho-viability-p1 set3 -1.4 0.0076958822 -15.046802796 -8.44211204 -23.488914836 2.2526478767 0.4205481797 0.3878856237 -13.07883895 -4.1184267 -15.94132228 -18.71422576 -24.70838055 -28.10300529 -28.02607418 -6.78235841 -30.40742903 -10.13066941 -7.62284347 -4.43365986 -14.49505844 -13.03911802 -7.69097706 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00258234-01 196729867 tox21-ror-cho-viability-p1 set3 4 4.9497472121 -9.113110016 -1 -10.113110016 0.8999999999 0.6554123606 0.6849536618 1.18608262 -31.24977777 -0.43083343 -2.14552499 -1.54590597 -2.52228222 -4.32646717 0 0 -4.06201654 -6.59623937 -4.97543609 -10.92759168 -6.20846204 -0.12395094 1.1989999999E-9 2.68E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.701E-8 1.4979999999E-7 3.351E-7 7.492E-7 0.000001675 0.000003746 0.0000083759999999 0.00001873 0.00004188 0.00009365 5131-66-8 21210 144207878 A A 1-Butoxy-2-propanol CC(O)COCCCC Tox21_200680 -NCGC00258659-01 196729869 tox21-ror-cho-viability-p1 set3 4 2.72641387 8.59682186 -2.76158145 3.49701716 -3.31589172 6.87664213 4.60286246 4.92899526 -3.43919561 7.4252794 8.24021142 -2.88834651 0.1817088 -5.7160679 5.51590986 1.1779999999E-9 2.633E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.00000368 0.00000823 0.000018399999999 0.00004115 0.00009201 71-41-0 6276 144208305 A A 1-Pentanol CCCCCO Tox21_201107 -NCGC00256461-01 196707364 tox21-ror-cho-viability-p1 set1 4 1.5355303643 4.6955379199 -1.6955379199 3 2.4729283767 0.4010710237 0.2898450112 -5.9962816 4.07505661 -2.58771393 -0.68815317 0.17161118 -3.29362838 -3.47012413 -4.65381059 0.23747097 0.56503525 1.27605269 7.52377354 2.22732381 0.99728304 0.35760925 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 619-17-0 12076 144213259 A A 4-Nitroanthranilic acid OC(=O)c1ccc(cc1N)[N+]([O-])=O Tox21_302942 -NCGC00257202-01 196707357 tox21-ror-cho-viability-p1 set1 4 0.34339634 6.22980182 7.34071107 0.08080438 0.73403142 4.770631 6.56683582 6.6358065 10.15263664 8.01471179 4.86811424 5.05582188 5.19823436 3.49857753 13.89772676 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 7481-89-2 24066 144213486 F A 2',3'-Dideoxycytidine NC1=NC(=O)N(C=C1)[C@H]2CC[C@@H](CO)O2 Tox21_303169 -NCGC00257177-01 196707369 tox21-ror-cho-viability-p1 set1 4 43.2771256911 8.6456873319 -0.1456873319 8.5 2.7202212143 0.6468922168 0.0678235351 0.28381583 -0.09049615 -1.16707057 0.31003568 -0.46594272 -0.79081872 -3.87140611 1.61047503 3.24195452 0.69014353 0.79531404 -0.61912008 -1.04450493 4.2163724 7.42958298 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 688-84-6 12713 144213389 A Ac 2-Ethylhexyl methacrylate O=C(OCC(CCCC)CC)C(=C)C Tox21_303072 -NCGC00256693-01 196707373 tox21-ror-cho-viability-p1 set1 4 -12.94593751 -9.06327494 -17.17038571 -12.3702892 -18.60340951 -19.04270476 -10.81736627 -16.57732266 -17.86071461 -16.84833125 -18.90523508 -13.77034935 -12.37711156 -11.31303235 -11.14279573 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3077-12-1 76497 144212970 A A 2,2'-[(4-Methylphenyl)imino]diethanol OCCN(CCO)c1ccc(C)cc1 Tox21_302653 -NCGC00257005-01 196707771 tox21-ror-cho-viability-p1 set1 4 1.04599953 -7.59920397 -0.21746687 -8.27367345 -10.30843309 -9.74707122 -14.89613288 -0.41166384 -15.16745772 -7.1680499 -7.24367493 -8.38729531 -1.35524847 -7.90300594 -2.464357 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1809-19-4 6327349 144213381 F Ac Dibutyl phosphite CCCCOP(=O)OCCCC Tox21_303064 -NCGC00257007-01 196707772 tox21-ror-cho-viability-p1 set1 4 30.6378586933 12.785662704 -8.785662704 4 1.752947691 0.4591743627 0.216269556 -6.241648 -7.57752955 -7.1045887 0.37665628 -7.38633376 -10.37417015 -7.60438144 -13.51663346 -16.90471892 -10.54739591 -8.8876432 -4.69354118 -6.38315356 -0.15448393 2.96895369 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-46-0 24764 144213436 Fns Hexamethyldisiloxane C[Si](C)(C)O[Si](C)(C)C Tox21_303119 -NCGC00257511-01 196707776 tox21-ror-cho-viability-p1 set1 4 -4.73091131 -5.76285111 -4.61809036 -6.91593337 -2.5589522 -5.88857255 -0.00154476 -2.63218548 -1.85754715 -0.21148509 -4.05050998 -4.96704235 -4.12530291 -9.94188799 -8.87420741 1.026E-9 2.295E-9 5.132E-9 1.148E-8 2.5659999999E-8 5.7379999999E-8 1.283E-7 2.8689999999E-7 6.4149999999E-7 0.000001434 0.0000032069999999 0.0000071719999999 0.00001604 0.00003586 0.000080189999999 10161-33-8 25015 144213956 A A 17beta-Trenbolone O=C3C=C4CC[C@@H]1C(C=C[C@]2(C)[C@@H](O)CC[C@@H]12)=C4CC3 Tox21_303654 -NCGC00160484-02 196705319 tox21-ror-cho-viability-p1 set1 4 -0.01212969 -0.10941703 -0.11635976 -1.59138979 0.39736217 0.22292692 0.45948735 -1.74909911 1.00341998 0.77731694 -1.11437677 7.8596379 1.10818419 -0.70430177 0.21614891 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 90-54-0 3275 170466000 A Etafenone CCN(CCOc2ccccc2C(=O)CCc1ccccc1)CC Tox21_111846_1 -NCGC00090701-06 196705314 tox21-ror-cho-viability-p1 set1 4 4.12174226 0.61679215 1.646711 1.01334106 1.46655288 3.63582357 0.76593757 1.91538674 2.16317411 0.82461972 0.06179562 2.4035804 -0.73152166 0.50413083 -0.73129598 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00015400-05 196705316 tox21-ror-cho-viability-p1 set1 4 29.8492948118 8.152597148 -1.652597148 6.5 4.0949729863 0.3179294183 0.3539312224 -0.01830709 -0.48245536 2.29276578 -0.15335449 -1.42157429 -0.76734736 -3.85164962 -3.33666183 0.07134449 -5.51331908 -7.62716429 -0.38949466 2.06378218 -0.18302691 5.4466973 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77671-31-9 53708 170466419 A Enoximone O=C(C=1NC(=O)NC=1C)c2ccc(SC)cc2 Tox21_110137_1 -NCGC00090698-04 196705318 tox21-ror-cho-viability-p1 set1 4 -3.37348286 -1.20649294 -1.6614822 -1.55050847 -0.24222055 -1.89689165 -0.964151 0.56925888 0.42947556 -2.06370951 -0.34260263 -0.00907825 -0.97902592 0.16953506 -0.29682128 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00090910-03 196705325 tox21-ror-cho-viability-p1 set1 4 -3.42178921 -0.07541022 0.08660152 -1.84191758 -1.22276238 -0.99993321 -1.32446724 -0.99564613 -1.27177906 -1.34989888 -1.27467035 0.68658345 -1.26395242 -1.84211955 -1.61351244 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00259670-01 196705717 tox21-ror-cho-viability-p1 set1 4 64.1892438174 10.2428888599 -1.7428888599 8.5 2.6384283767 0.374752151 0.2992294718 3.40983128 -0.1547235 -0.04931675 -4.40639081 -0.18547655 -2.28607202 0.96128001 -4.59671213 -1.56113581 0 -5.2997442 -5.61907405 0.56541912 0.57193632 5.99125018 1.229E-9 2.749E-9 6.1469999999E-9 1.3749999999E-8 3.0739999999E-8 6.873E-8 1.537E-7 3.436E-7 7.6839999999E-7 0.000001718 0.000003842 0.000008591 0.00001921 0.00004296 0.000096049999999 108-94-1 7967 144209319 AC Ac Cyclohexanone O=C1CCCCC1 Tox21_202121 -NCGC00259781-01 196706790 tox21-ror-cho-viability-p1 set1 4 0.6119273681 5.8238389119 -5.8238389119 0 4.9549173134 0.5052078774 0.1747827272 -0.43698602 -5.30545605 -7.30451837 -12.76986576 -3.34967847 -8.58512944 -1.77244252 -8.77796946 -0.60638924 0 -1.03859894 2.44763668 -0.38696633 -0.96788128 0.20529786 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.476E-7 3.302E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.000092279999999 87-02-5 6868 144209430 A F 7-Amino-4-hydroxynaphthalene-2-sulfonic acid O=S(=O)(O)c1cc(O)c2ccc(N)cc2c1 Tox21_202232 -NCGC00164164-02 196705554 tox21-ror-cho-viability-p1 set1 4 3.07831762 -0.08689734 -3.31250034 0.57618245 -0.18181673 -1.04983617 0.0691648 -1.92430051 -1.95275836 1.46450387 0.24278134 3.05735556 1.56687711 5.95530883 2.90341858 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00090698-04 196705962 tox21-ror-cho-viability-p1 set1 4 8.08727339 6.44033178 -0.8231407 -0.46899588 0.04306068 1.07052298 -0.42031506 1.01682371 -23.11827352 7.64037666 -1.56217172 2.40334428 0.53825577 2.21542618 0.88734041 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00259546-01 196706789 tox21-ror-cho-viability-p1 set1 4 -0.21650296 -7.07237823 0.50185439 1.17948981 -1.25964823 -5.73380734 -0.72846166 -1.51316472 -0.37202128 10.70361399 -10.5787987 -5.49927335 -0.63502295 1.01611511 -0.52914344 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.968E-8 6.6359999999E-8 1.484E-7 3.318E-7 7.4189999999E-7 0.000001659 0.000003709 0.000008295 0.00001855 0.000041469999999 0.00009274 25812-30-0 3463 144209195 A A Gemfibrozil O=C(O)C(C)(C)CCCOc1cc(C)ccc1C Tox21_201997 -NCGC00260198-01 196703487 tox21-ror-cho-viability-p1 set1 4 8.4929575955 -5.033996584 2.5 -2.533996584 2.5884283767 0.3439031564 0.328838199 -0.51019029 0.15487588 2.30884706 0.6828559 -0.92922727 -0.14134589 5.21139886 4.64821183 6.89456816 5.59658248 -0.01973999 0.64625543 -3.71687796 0.76271241 -4.61166382 1.281E-9 2.8639999999E-9 6.404E-9 1.4319999999E-8 3.202E-8 7.1599999999E-8 1.6009999999E-7 3.5799999999E-7 8.005E-7 0.00000179 0.000004003 0.0000089499999999 0.00002001 0.00004475 0.0001001 244193-50-8 2734179 144209848 A A 1-Hexyl-3-methylimidazolium tetrafluoroborate F[B-](F)(F)F.C[n+]1ccn(CCCCCC)c1 Tox21_202650 -NCGC00015060-14 196703072 tox21-ror-cho-viability-p1 set1 4 68.1713220381 19.6967950359 -1.1967950359 18.5 4.5044702849 0.6422555926 0.0690803446 0.42866627 -0.92404308 -1.22655717 0.65186417 -0.05152888 -11.83066253 -1.04366206 -0.42971929 0.31269177 -1.59634149 -0.44484378 -2.46676994 0.2591247 0.55833882 14.26227714 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00357008-01 196703079 tox21-ror-cho-viability-p1 set1 4 -3.1094292 -5.91123983 -4.81192107 -4.59642248 -3.35655447 -6.46056264 -4.5052295 -4.47106372 -4.22545771 -8.10062829 -0.08182509 0.18393849 -3.49014005 -1.15111825 -3.66360905 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15165-67-0 119435 251919725 A Dichlorprop-P Clc1cc(Cl)ccc1O[C@H](C)C(=O)O Tox21_303875 -NCGC00260570-01 196703481 tox21-ror-cho-viability-p1 set1 4 -5.1084827 -8.29440581 -0.72479121 -1.4564516 -10.91323361 -5.76016504 -13.85318967 -2.13797474 3.20648933 -7.97316177 -0.01232994 -4.9224872 -2.17840901 -12.30204239 -5.01762462 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49466 144210223 M M NTP Mix78 CT1 62-EQP Tox21_203025 -NCGC00260473-01 196703495 tox21-ror-cho-viability-p1 set1 4 0.2224254389 2.833844848 -0.333844848 2.5 2.4729283767 0.3920217572 0.2856926228 -0.6023037 1.14956582 0.2723678 1.4265759 -5.27820404 -0.51608923 1.05672619 1.12595772 2.99307182 1.74415294 3.63434696 0.89230649 1.23309495 5.98402586 1.77430467 1.2049999999E-9 2.695E-9 6.0249999999E-9 1.347E-8 3.013E-8 6.736E-8 1.506E-7 3.368E-7 7.5309999999E-7 0.0000016839999999 0.000003766 0.0000084199999999 0.000018829999999 0.0000421 0.000094139999999 544-16-1 10996 144210125 F N-Butylnitrite CCCCON=O Tox21_202927 -NCGC00260617-01 196703497 tox21-ror-cho-viability-p1 set1 4 0.421632496 -3.393883272 1.5 -1.893883272 3.0654483358 0.3504296326 0.3244651399 -0.07175011 2.05302632 2.23325666 2.65900895 2.30393129 2.3591038 -1.2399615 1.30379934 2.68568816 -7.82823606 0.29146376 -0.48659081 -1.20801344 -1.42003766 -1.07026795 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49513 144210270 M M NTP Mix20 AR1 8-EQC Tox21_203072 -NCGC00260017-01 196703499 tox21-ror-cho-viability-p1 set1 4 -0.9115097 -0.29244655 -0.84708826 -3.41688631 -0.2083855 -2.746949 -0.59034333 -0.80198919 0.35169643 2.72714342 -4.96843765 -0.65329384 3.01736097 -1.41589997 0.75931224 5.9509999999E-10 1.3309999999E-9 2.975E-9 6.653E-9 1.488E-8 3.3259999999E-8 7.438E-8 1.663E-7 3.719E-7 8.316E-7 0.00000186 0.000004158 0.000009298 0.00002079 0.00004649 130-17-6 174223 144209666 A A 2-(4-Aminophenyl)-6-methylbenzothiazole sulfonic acid O=S(=O)(O)c1c(C)ccc2nc(sc12)c3ccc(N)cc3 Tox21_202468 -NCGC00260317-01 196703501 tox21-ror-cho-viability-p1 set1 4 -0.08420445 0.93577519 1.66286791 -8.599765 0.0709964 0.29567995 -0.28772254 2.44287887 0.78385162 1.61742913 3.74293948 -0.01300795 3.84740205 2.402585 2.77149758 1.183E-9 2.644E-9 5.913E-9 1.322E-8 2.9559999999E-8 6.611E-8 1.4779999999E-7 3.305E-7 7.3909999999E-7 0.0000016529999999 0.0000036949999999 0.000008263 0.00001848 0.00004132 0.00009239 2825-82-3 12561739 144209968 Fns Octahydro-exo-4,7-methano-1H-indene C2C[C@H]3[C@@H]1CC[C@H](C1)[C@H]3C2 Tox21_202770 -NCGC00090773-04 196703898 tox21-ror-cho-viability-p1 set1 4 -3.74290314 -3.28204906 2.30003042 0.38291927 3.36846896 0.95806551 0.92066856 3.01249993 -0.40897071 2.02097322 -3.95266746 -0.54850144 0.32528306 0.00459024 1.29993566 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00257113-01 196718539 tox21-ror-cho-viability-p1 set2 4 1.91558616 0.95967386 -0.21971386 0.96661953 0.857777 2.34314565 -1.00089679 3.97475083 2.09562234 1.64158765 2.41671121 6.67785205 3.69963241 -0.78774254 0.0158725 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2702-72-9 23676704 144213565 Ac Ac 2,4-D sodium salt [Na+].Clc1cc(Cl)ccc1OCC([O-])=O Tox21_303248 -NCGC00257210-01 196718139 tox21-ror-cho-viability-p1 set2 4 0.0038570779 -8.177619444 9 0.822380556 4.4494702849 0.634826509 0.4043455448 45.41839081 9.13933411 -0.24295857 0.99650345 -0.04469747 2.93870888 -1.81468287 2.14774644 -0.22818474 -0.56641529 1.54752541 3.6212349 1.98000576 0.67966848 4.80048954 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 473-55-2 10129 144213597 F Pinane CC2(C)C1CC2C(C)CC1 Tox21_303280 -NCGC00091380-04 196718141 tox21-ror-cho-viability-p1 set2 4 0.66302317 -1.17173826 2.48424201 2.45847853 0.0045723 5.25309144 -2.53748179 -0.88528082 2.05881264 1.59953589 3.46116566 5.44710639 2.48730793 5.9062126 2.3820325 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00257346-01 196718537 tox21-ror-cho-viability-p1 set2 4 -0.22687469 1.61266893 3.96609996 2.51620663 -2.05432423 -10.33605904 -6.09948264 -0.277545 0.22355008 -4.28623951 -0.4712736 0.1050587 0.54871576 2.22558181 2.1571 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 2835-39-4 17816 144213684 Fns Allyl isovalerate CC(C)CC(=O)OCC=C Tox21_303369 -NCGC00256639-01 196718543 tox21-ror-cho-viability-p1 set2 4 4.8557733675 7.285055596 -6.285055596 1 4.9549173134 0.5681592212 0.1217216502 -7.63872069 -7.84512566 -3.41263515 -2.9645097 -5.20419634 -10.6257482 -0.89067507 -11.48754633 -5.98074558 -7.03351727 -4.8937522 2.45849174 -1.35597884 0.367614 1.93802515 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 697-82-5 12769 144213033 A F 2,3,5-Trimethylphenol Cc1cc(C)cc(O)c1C Tox21_302716 -NCGC00257402-01 196718963 tox21-ror-cho-viability-p1 set2 4 -1.15089766 1.268008 2.0797863 1.10620764 -0.33193534 2.5908641 2.00244364 3.80811722 0.8233382 0.28184183 3.63695225 0.52344538 2.58184219 1.65491196 0.16018571 1.056E-9 2.3609999999E-9 5.279E-9 1.18E-8 2.6399999999E-8 5.902E-8 1.32E-7 2.9509999999E-7 6.599E-7 0.000001476 0.0000032999999999 0.0000073779999999 0.000016499999999 0.00003689 0.000082489999999 53-16-7 5870 144213953 A A Estrone Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)C(=O)CC[C@@H]12)c4cc3 Tox21_303651 -NCGC00257135-01 196718968 tox21-ror-cho-viability-p1 set2 4 0.43856983 0.67719828 1.78133403 0.48419824 -0.44049536 4.91050034 2.01608543 5.89090199 -0.33590832 0.66054145 3.99258417 2.50246625 1.55129442 1.56911686 0.86595236 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2050-92-2 16316 144213607 F Fns N-pentylpentan-1-amine CCCCCNCCCCC Tox21_303290 -NCGC00257505-01 196718976 tox21-ror-cho-viability-p1 set2 4 0.14268822 0.12878111 -0.05681742 -1.72831882 3.52733891 3.95855148 1.70776288 1.25158869 3.62957191 1.5792487 0.98889011 -0.65658053 0.95420263 -1.2040687 0.15256191 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 113-92-8 5284366 144213766 A A Chlorpheniramine maleate [O-]C(=O)\C=C/C(=O)O.Clc1ccc(cc1)C(CC[NH+](C)C)c2ccccn2 Tox21_303456 -NCGC00256923-01 196719417 tox21-ror-cho-viability-p1 set2 4 1.9331181962 4.6477207039 -0.6477207039 4 4.9549173134 0.4121714738 0.2627707586 -2.20643392 -0.72833639 -0.70986322 -0.95870343 -0.05016745 0.93141226 -1.23801436 1.56123105 -0.40575184 0.0354427 6.03208397 7.41450958 -1.64092474 0.20529647 8.60429697 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-21-5 7742 144212993 A A 1,4-Heptanolide O=C1CCC(CCC)O1 Tox21_302676 -NCGC00254098-01 196719809 tox21-ror-cho-viability-p1 set3 4 12.67463358 9.83440052 14.45423631 1.22518497 5.61375459 -1.85330192 -2.91257963 6.07835897 -1.23895731 9.24561492 7.58865055 1.89714575 8.83411519 4.43946589 5.87282263 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84-66-2 6781 144210503 A A Diethyl phthalate O=C(OCC)c1ccccc1C(=O)OCC Tox21_300183 -NCGC00254433-01 196719818 tox21-ror-cho-viability-p1 set3 4 -1.41633988 6.16097264 14.61113554 11.96564272 3.8817557 -3.67305957 13.13888962 2.9073517 -1.65284043 -5.4684382 -4.18896934 13.25841171 12.63048304 5.07794878 -0.31284281 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-66-7 31222 144210810 C 1,2-Diphenylhydrazine N(Nc1ccccc1)c2ccccc2 Tox21_300492 -NCGC00254706-01 196719819 tox21-ror-cho-viability-p1 set3 4 -0.66414198 -2.12424275 23.47114419 7.12239274 2.55735522 9.61354806 7.49076425 -2.09256871 6.82832704 5.69422968 -0.70086424 1.32313205 3.18580136 4.57865548 5.8592562 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 34014-18-1 5383 144211119 A A Tebuthiuron CC(C)(C)c1nnc(s1)N(C)C(=O)NC Tox21_300802 -NCGC00094532-06 196717754 tox21-ror-cho-viability-p1 set2 4 0.0098562788 10.0081836159 -9.5081836159 0.5 1.34431 0.9057019155 0.0002459933 -8.75681968 -8.11999057 -6.985164 -1.69007102 -3.8237794 0.13072342 1.52063506 1.06693471 1.22329723 0.79668608 1.17804627 -0.31577128 -0.8552571 -0.31552509 1.1647625 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00260269-01 196724572 tox21-ror-cho-viability-p1 set3 4 60.1255352668 21.848542672 2.151457328 24 0.8999999999 0.6144621782 0.0870230644 -2.37378556 -0.23236837 2.85489347 1.85675751 1.43428826 3.72475572 3.64192955 0.1796188 0.87902601 12.71142494 4.69838585 3.45076572 4.09115784 10.19926673 19.01706809 1.281E-9 2.8639999999E-9 6.404E-9 1.4319999999E-8 3.202E-8 7.1599999999E-8 1.6009999999E-7 3.5799999999E-7 8.005E-7 0.00000179 0.000004003 0.0000089499999999 0.00002001 0.00004475 0.0001001 112-71-0 8208 144209919 F Fns 1-Bromotetradecane BrCCCCCCCCCCCCCC Tox21_202721 -NCGC00260257-01 196724573 tox21-ror-cho-viability-p1 set3 4 -6.62205022 -1.66211737 -0.79790956 0.63539936 5.67167507 -1.24355865 4.03512585 5.50010061 -0.72159151 0.55683623 7.1550091 -8.21150397 -1.88326564 1.48503108 2.28037876 1.1689999999E-9 2.615E-9 5.8469999999E-9 1.3069999999E-8 2.9229999999E-8 6.537E-8 1.462E-7 3.268E-7 7.308E-7 0.0000016339999999 0.0000036539999999 0.0000081709999999 0.00001827 0.00004086 0.000091349999999 327022-58-2 60196395 144209907 A A 1-Methyl-1-propylpyrrolidinium hexfluorophosphate C[N+]1(CCC)CCCC1.F[P-](F)(F)(F)(F)F Tox21_202709 -NCGC00260640-01 196724583 tox21-ror-cho-viability-p1 set3 4 0.0595571731 5.966952356 -4.466952356 1.5 4.9549173134 0.3507360105 0.3360115256 -2.16530252 -12.05579363 3.11848348 -6.76909868 0.10931104 -8.2228173 1.00520423 4.7973586 -0.75448734 0.89055283 1.21153643 -0.57470477 2.34113817 0.54188167 -3.27056485 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49536 144210293 M M NTP Mix116 ER1 10-EQC Tox21_203095 -NCGC00256988-01 196708020 tox21-ror-cho-viability-p1 set1 4 -10.58751364 -10.91951046 -6.09001136 -3.16183769 -11.48820178 -3.57805879 -12.63487763 -16.80568832 -14.12901252 -13.66370765 -16.81211315 -12.13910081 -6.70047664 -9.03519882 -7.00571042 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 78-40-0 6535 144213423 B A Triethyl phosphate CCOP(=O)(OCC)OCC Tox21_303106 -NCGC00091839-03 196711718 tox21-ror-cho-viability-p1 set2 4 -0.35371233 -3.00990316 -3.00251552 -0.17620458 0.33547758 -10.59966069 -10.22372096 -14.09348036 -1.33250499 -3.45134942 0.01440098 -3.35565279 -4.06390005 -0.07755733 -0.83742997 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00260020-01 196711297 tox21-ror-cho-viability-p1 set2 4 77.2719803999 13.6826913881 0.3173086119 14 4.9549173134 0.5121783547 0.1688389714 0.82222647 0.81503681 1.85813651 0 0.01495725 -0.22047998 1.90540506 3.03972806 -2.90222116 5.21086768 0.30923664 0.80414179 0.23188297 -6.81890949 12.17813075 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.481E-7 3.311E-7 7.4029999999E-7 0.000001655 0.000003701 0.0000082769999999 0.00001851 0.00004138 0.00009253 89-86-1 1491 144209669 A A 2,4-Dihydroxybenzoic acid OC(=O)c1ccc(O)cc1O Tox21_202471 -NCGC00260106-01 196711698 tox21-ror-cho-viability-p1 set2 4 15.4334145062 19.3493660279 -0.3493660279 19 0.2 0.4222644322 0.2514680708 1.61985496 5.13794795 1.28232368 8.72058471 -2.37447169 7.69421135 1.62749372 10.548589 8.0599109 2.4324206 4.42827808 7.70712387 10.95624117 10.61165621 14.72106884 1.185E-9 2.6499999999E-9 5.9249999999E-9 1.325E-8 2.962E-8 6.6239999999E-8 1.481E-7 3.312E-7 7.406E-7 0.000001656 0.0000037029999999 0.0000082799999999 0.00001852 0.0000414 0.00009258 142-72-3 8896 144209755 F Magnesium acetate [Mg+2].[O-]C(C)=O.[O-]C(C)=O Tox21_202557 -NCGC00260112-01 196711700 tox21-ror-cho-viability-p1 set2 4 7.7742115379 12.050061412 -3.050061412 9 0.4 0.5375850425 0.1634951615 -0.8092943 -7.95838451 -0.98684024 -1.61236012 -0.18264525 -1.41967197 0.33182558 -4.08782764 0.15501538 4.70807634 2.97757971 -0.15733277 3.24802578 6.77316655 0.07303192 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.65E-8 1.487E-7 3.325E-7 7.435E-7 0.000001662 0.0000037169999999 0.000008312 0.00001859 0.00004156 0.000092939999999 3327-22-8 18732 144209761 Fns Dextrosil [Cl-].C[N+](C)(C)CC(O)CCl Tox21_202563 -NCGC00260513-01 196711719 tox21-ror-cho-viability-p1 set2 4 3.8727730094 -7.724234144 3.5 -4.224234144 3.1319983358 0.5127946998 0.1846097562 4.78521589 3.32715193 4.34395127 0.73094999 2.29100547 5.95494339 -4.10176991 6.81467718 4.0406364 5.91022163 -0.7044615 -2.35263785 -8.52019512 -1.175655 10.56304554 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004135 0.00009247 215-58-7 9164 144210165 F A Dibenz[a,c]anthracene c3cc4c1ccccc1c2cc5ccccc5cc2c4cc3 Tox21_202967 -NCGC00260645-01 196712114 tox21-ror-cho-viability-p1 set2 -3 33.4914596268 -36.0710319959 2 -34.0710319959 4.9549173134 0.845874753 0.0025512661 0.56292364 -0.51161349 0.77530314 0.27992493 0.99214887 1.04623302 0.72931693 6.25354722 6.93195348 5.74576687 -5.17711393 3.71159807 2.62549515 5.14688613 -30.05919333 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49541 144210298 M M NTP Mix86 ER AR1 18-EQP Tox21_203100 -NCGC00260039-01 196712124 tox21-ror-cho-viability-p1 set2 4 -1.06321928 -4.95699791 -10.9080458 -3.73841438 -1.04537672 -5.36627816 -9.30853264 -2.34770469 -16.31400392 -4.91459774 -1.26463225 -5.77050082 -12.47535504 -2.41527368 -20.86221957 1.227E-9 2.7439999999E-9 6.1349999999E-9 1.3719999999E-8 3.068E-8 6.859E-8 1.534E-7 3.43E-7 7.669E-7 0.000001715 0.000003834 0.000008574 0.00001917 0.000042869999999 0.00009586 13319-75-0 61591 144209688 Boron trifluoride dihydrate O.O.FB(F)F Tox21_202490 -NCGC00260444-01 196712130 tox21-ror-cho-viability-p1 set2 4 34.4811461738 15.750928632 1.249071368 17 2.2526478767 0.7522708143 0.0189643313 -0.48493679 3.76873881 0.05610262 3.86401387 4.73327222 4.19535216 0.39214971 5.0259712 2.15803497 -0.62577386 2.98574243 -0.36881797 5.7610406 8.56780984 18.11095419 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.613E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.00001848 0.00004133 0.00009242 463-04-7 10026 144210096 F Pentyl nitrite CCCCCON=O Tox21_202898 -NCGC00015925-12 196712534 tox21-ror-cho-viability-p1 set2 4 0.1299001723 4.21691476 -3.21691476 1 4.9549173134 0.4972011835 0.1834649178 -5.72981257 -7.6807623 -0.41715846 -0.7216814 -0.6582395 -0.77801962 -5.80235368 -4.55582478 1.55305836 1.25880841 0.80005748 0.70597558 0.56304518 -0.40252145 2.98061957 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 526-08-9 5335 170465185 Ac Sulfaphenazole Nc1ccc(cc1)S(=O)(=O)Nc3ccnn3c2ccccc2 Tox21_110262_1 -NCGC00163930-04 196712542 tox21-ror-cho-viability-p1 set2 4 -1.09113629 0.25380416 0.09695745 -3.23960664 -3.40258011 0.79564452 1.04601382 0.09240037 -0.66893231 0.97215309 0.15580828 0.27045209 0.04332312 -0.43139357 1.85100024 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00163774-04 196712553 tox21-ror-cho-viability-p1 set2 4 2.02454789 0.06681578 1.52785959 1.42078168 -1.16216851 0.74499645 1.51690762 0.39266695 0.08163123 1.94802064 -0.57486886 -0.32299726 -0.45875343 1.98593066 2.32514434 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00255138-01 196710066 tox21-ror-cho-viability-p1 set2 4 -2.74815313 -0.67090084 1.48635072 -1.99456802 -2.75551797 -1.22045361 -1.55354246 -1.33851355 -0.66326341 0.09424347 -1.80426649 -1.24101596 -0.18367142 1.30795669 0.39561236 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5766-67-6 21984 144212182 A A (Ethylenedinitrilo)tetraacetonitrile N#CCN(CCN(CC#N)CC#N)CC#N Tox21_301865 -NCGC00259666-01 196709653 tox21-ror-cho-viability-p1 set2 4 -1.36298845 -1.33338382 -2.06166701 1.42220178 -0.79956279 -2.56633495 -0.81505919 -0.12058408 -2.07342398 -1.71712116 -1.73782613 -0.47053298 0.77603161 0.12488355 0.68497468 1.1739999999E-9 2.624E-9 5.8689999999E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091699999999 50-78-2 2244 144209315 A Cc Aspirin O=C(C)Oc1ccccc1C(=O)O Tox21_202117 -NCGC00160484-02 196723022 tox21-ror-cho-viability-p1 set3 2.2 11.8832183006 62.159335218 -1.2786780144 60.8806572036 1.24751 0.9442190579 0.0000152492 -2.04424567 1.13089853 1.472882 -4.39484188 -2.35933885 -4.76672064 1.3500501 -1.55691428 1.29688817 3.39080347 2.57035813 7.03679484 31.34153005 30.62116762 56.40554429 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 90-54-0 3275 170466000 A Etafenone CCN(CCOc2ccccc2C(=O)CCc1ccccc1)CC Tox21_111846_1 -NCGC00015467-20 196722610 tox21-ror-cho-viability-p1 set3 4 33.4914596268 17.5328834239 -9.0328834239 8.5 4.9549173134 0.5414984978 0.1430067496 -11.31700967 -15.44406952 -7.10259664 -9.95058148 -6.59952954 -9.53568549 -10.71264052 -8.07639796 -0.00794997 -12.88989818 -8.19989666 -7.39806792 -7.16623225 -7.67349491 5.62284634 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10238-21-8 3488 170464964 A Glybenclamide O=C(NC1CCCCC1)NS(=O)(=O)c3ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc3 Tox21_110158_1 -NCGC00090787-08 196723016 tox21-ror-cho-viability-p1 set3 4 0.26603212 7.3704122321 0.1295877679 7.5 4.9549173134 0.4082946002 0.2808921937 4.17657433 5.34348384 1.90445378 -0.44035604 -4.05867686 -3.70442761 -0.00507584 -1.84723136 7.66769316 9.88534706 17.79389583 3.97538094 5.92468596 0.25436906 -2.00269619 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 119-61-9 3102 170465649 A Benzophenone O=C(c1ccccc1)c2ccccc2 Tox21_113465_1 -NCGC00016360-06 196723020 tox21-ror-cho-viability-p1 set3 4 1.6785492 -46.977153708 23 -23.977153708 0.2 0.5245275294 0.1565338842 20.18017847 12.32164531 7.8700416 11.67661069 13.48337714 6.29034129 12.27525854 -5.08476129 -10.73420623 6.93899774 5.40746327 7.54374379 3.18471076 -16.64762809 -11.59814076 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103-16-2 7638 170464724 F Monobenzone Oc2ccc(OCc1ccccc1)cc2 Tox21_110396_1 -NCGC00263910-02 196723420 tox21-ror-cho-viability-p1 set3 4 33.4914596268 27.6888199441 0.3111800559 28 1.0999999999 0.6207346858 0.0826653817 0.81421962 2.79781986 -1.71166105 1.16770148 -2.27938367 -1.92649078 -1.07051852 0.8168819 6.49421731 -3.07401662 1.50406765 2.86358662 11.71106804 1.80258468 20.46078686 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 20701-77-3 176163 170466283 B F Aminopentamide sulfate O=S(=O)(O)O.NC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2 Tox21_113961 -NCGC00274059-01 196723427 tox21-ror-cho-viability-p1 set3 4 0.421632496 -7.5758510119 2 -5.5758510119 4.9549173134 0.6103679085 0.1037498741 6.62396319 6.04505238 0.62929955 -1.91191703 2.06072739 -1.72452596 0.308613 4.42675587 -0.68635125 -9.64654251 -2.56914079 -7.46044315 -4.75482149 -3.5469912 14.72066552 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 121032-29-9 3011155 170464759 A Nelarabine Nc3nc2c(ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)c(OC)n3 Tox21_112714_1 -NCGC00263530-01 196723431 tox21-ror-cho-viability-p1 set3 2.2 23.7101376556 42.2329186639 -2.2329186639 40 1.4780888099 0.7290462331 0.0263379082 0.25370842 -0.6133074 -5.95294195 0.1768526 -1.63353161 -6.43434365 -8.75658479 -1.3015912 -1.27437006 7.86965434 -9.77743222 12.50793323 0.29765339 17.13088761 30.1252623 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118288-08-7 5282136 170465978 A Lafutidine O=S(CC(=O)NC/C=C\COc2cc(CN1CCCCC1)ccn2)Cc3ccco3 Tox21_112179_1 -NCGC00253592-01 196723437 tox21-ror-cho-viability-p1 set3 -1.1 6.6824247267 -98.9520654067 -0.5194235618 -99.4714889685 3.0654483358 0.9913129271 4E-10 3.75770015 0.48670432 4.0137395 -3.03094011 -3.00527598 -4.31516951 3.776318 -4.18040606 -5.65678376 -4.66372888 -0.94781367 -14.10465439 -72.9607297 -96.72549607 -99.87097286 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 481-85-6 10209 170465455 F F Menadiol Oc1cc(C)c(O)c2ccccc12 Tox21_113729 -NCGC00242506-02 196722630 tox21-ror-cho-viability-p1 set3 -1.1 0.3349145963 -77.0528165404 4.049118372 -73.0036981684 0.6999999999 0.9778925639 8.46E-8 4.01420833 0.70766337 -1.33286916 -2.52471618 1.19876902 -0.79999998 -17.6868376 -26.91769094 -42.50820612 -48.76311874 -45.61918089 -62.04213453 -65.22831835 -68.37592128 -75.00342423 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 179324-69-7 387447 170465087 C Bortezomib O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)B(O)O)c2cnccn2 Tox21_112672_1 -NCGC00259308-01 196722221 tox21-ror-cho-viability-p1 set3 4 22.5974168382 8.9954809719 -5.4954809719 3.5 4.9549173134 0.6241931239 0.0810060403 -8.92653342 -4.57234127 -2.70668259 -7.50185902 -2.18392926 -9.16290081 -7.85220929 -5.05101301 -6.07950386 -0.25195543 -6.13151999 -5.83223147 -2.38526745 4.23887596 2.66299499 1.221E-9 2.7309999999E-9 6.107E-9 1.365E-8 3.053E-8 6.8269999999E-8 1.5269999999E-7 3.4139999999E-7 7.633E-7 0.000001707 0.000003817 0.000008534 0.000019079999999 0.00004267 0.00009541 96-05-9 7274 144208957 AC Fc Allyl methacrylate C=C(C)C(=O)OCC=C Tox21_201759 -NCGC00016011-14 196722619 tox21-ror-cho-viability-p1 set3 2.4 37.5780357627 22.3664795441 1.6335204559 24 4.9549173134 0.8000779097 0.0080028072 7.09539566 -2.80539962 3.32883933 -0.08264153 0 -0.12343483 1.54288713 0.02776317 1.95092519 1.27830542 3.91080238 2.16464096 0.7022979 1.45213904 19.28998301 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-67-2 5610 170466815 Z Tyramine Oc1ccc(CCN)cc1 Tox21_110282_1 -NCGC00258269-01 196730152 tox21-ror-cho-viability-p1 set3 4 0.45930271 4.99398303 0.20956447 0.54265381 0.56525689 0.83170986 4.31500449 3.59875167 6.67689384 5.86747527 3.93551619 5.32329187 7.4565779 1.95385103 4.77565702 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.33E-7 7.445E-7 0.000001665 0.0000037229999999 0.000008324 0.00001861 0.00004162 0.00009306 6362-79-4 23670844 144207913 A A Sodium 5-sulfoisophthalate [Na+].O=S([O-])(=O)c1cc(cc(c1)C(=O)O)C(=O)O Tox21_200715 -NCGC00163735-04 196728980 tox21-ror-cho-viability-p1 set3 4 -1.15126525 -7.12806113 -3.75147992 -4.33382711 -3.51817134 -1.06285935 0.73767555 -5.57258781 -2.65302719 -7.31174366 2.83782807 -8.96069053 -4.25852913 -5.93033092 -6.36326903 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00255499-01 196728561 tox21-ror-cho-viability-p1 set3 4 0 -2.82275288 -2.1665647 -1.47294907 1.91067905 -0.24750194 -1.09579422 -4.83590385 0.44499897 -6.0452585 -2.62929021 -7.95657135 -1.82617065 -5.83695303 0.8967727 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1918-13-4 2734819 144212524 A A Chlorthiamid S=C(N)c1c(Cl)cccc1Cl Tox21_302207 -NCGC00255725-01 196728573 tox21-ror-cho-viability-p1 set3 4 -3.64601607 2.82542807 -0.15121853 -0.62144113 -1.94671179 -0.18159059 -2.53910543 -2.08178422 -0.17901082 -1.38176249 -1.11309896 -5.67361391 -2.35755358 -3.93043906 -2.75668453 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-34-2 78950 144212442 A A Glycerol 1-allylether OCC(O)COCC=C Tox21_302125 -NCGC00255120-01 196728973 tox21-ror-cho-viability-p1 set3 2.4 48.5577336745 28.263406284 -0.263406284 28 3.1319983358 0.922141548 0.0000902532 -1.41471995 -1.77039685 3.09861911 -0.54973935 1.2757945 1.78469828 -0.26754179 -0.83283315 3.53206171 -1.83850301 0.86140619 -2.30283857 -1.85677773 11.20426535 24.53468436 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 73-24-5 190 144212425 F Ac Adenine Nc1ncnc2ncnc12 Tox21_302108 -NCGC00256796-01 196718278 tox21-ror-cho-viability-p1 set2 -2.4 61.130564862 -32.170356796 2.5 -29.670356796 4.9549173134 0.927939292 0.0000601478 0.59632156 1.63481114 0.74055346 1.66526068 0.38925748 5.87537838 2.11767401 4.39857053 6.91733268 4.27019649 3.63446119 0.92886574 0.22384792 -1.18868476 -25.97529733 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 29461-14-1 86287524 144212787 FC Isolongifolanone CC3(C)C1CC2(CC1)[C@H]3C(=O)CCC2(C)C Tox21_302470 -NCGC00262928-01 196717865 tox21-ror-cho-viability-p1 set2 4 29.8492948118 -13.794707592 4 -9.794707592 0.9999999999 0.5649053342 0.1248331241 1.23528555 2.1808221 3.58617384 2.53488095 6.09544235 7.45021425 9.15279338 5.78094498 1.88843442 2.32223127 1.43154428 1.13799235 1.47194088 0.64948526 -6.49558966 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 167221-71-8 153994 170466066 A A Clevidipine CC=1NC(C)=C(C(C=1C(=O)OCOC(=O)CCC)c2cccc(Cl)c2Cl)C(=O)OC Tox21_113923 -NCGC00090874-04 196717870 tox21-ror-cho-viability-p1 set2 4 -2.19150938 -1.71873522 -1.87258497 -4.24607669 1.3638537 -5.03987131 -4.42941542 0.1083579 -2.37032614 -2.48345843 0.88080464 -1.48198491 -2.96477728 -7.22203346 -5.10749339 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00178382-03 196717880 tox21-ror-cho-viability-p1 set2 4 1.38301042 0.99921865 -3.24091889 0.6171987 1.01195223 5.11797533 0.96975449 4.17400464 -0.53557579 -2.24573718 0.70925014 -1.00293847 -2.253514 0.15054794 4.40294106 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6411-75-2 44134533 170466510 Ac 2-Aminoheptane sulfate NC(C)CCCCC.O=S(=O)(O)O.CC(N)CCCCC Tox21_111333_1 -NCGC00256463-01 196718280 tox21-ror-cho-viability-p1 set2 4 2.86598156 0.03959211 1.15721188 1.34420259 0.75787139 3.07020224 -1.49697314 1.33420878 0.51127768 2.55221507 0.28120208 4.64079121 -0.52365534 1.59021997 1.86960499 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 505-52-2 10458 144213299 A A Tridecanedioic acid O=C(O)CCCCCCCCCCCC(=O)O Tox21_302982 -NCGC00257345-01 196718294 tox21-ror-cho-viability-p1 set2 4 -1.25739492 1.25817596 0.3737397 1.50458451 1.02172618 -7.28070037 -0.62226471 -6.80527509 -6.00970884 -2.13295564 1.11691827 -5.04392463 -3.41581436 2.05817187 2.68247238 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4344-55-2 20352 144213673 A A 4-Butyloxyaniline Nc1ccc(OCCCC)cc1 Tox21_303357 -NCGC00256384-01 196718695 tox21-ror-cho-viability-p1 set2 4 -1.28319127 0.64888116 1.38605495 0.75460425 -6.00773462 -1.64241252 -7.37934472 -2.38544507 -1.50649662 -1.25477844 0.38502471 -2.01162638 -1.4490643 -1.22097266 1.58660801 4.129E-10 9.233E-10 2.065E-9 4.6169999999E-9 1.0319999999E-8 2.308E-8 5.161E-8 1.154E-7 2.5809999999E-7 5.7709999999E-7 0.00000129 0.0000028849999999 0.0000064519999999 0.000014429999999 0.00003226 107-30-2 7864 144213256 FNS Chloromethyl methyl ether COCCl Tox21_302939 -NCGC00256990-01 196718706 tox21-ror-cho-viability-p1 set2 4 -1.98148196 -3.55129624 -5.66943948 -0.45623687 0.67775973 -2.46282833 -1.99025148 -1.68882402 0.49546197 -4.7730965 0.85264359 -0.59441901 -3.73916113 1.22810224 -2.14270296 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-68-5 7154 144213463 A C N-(2-Methylphenyl)-3-oxobutanamide O=C(Nc1ccccc1C)CC(C)=O Tox21_303146 -NCGC00257485-01 196718715 tox21-ror-cho-viability-p1 set2 4 1.29875863 -2.8744625 -1.07412011 0.14943194 0.62350453 2.38236587 -1.25025222 -0.57911362 1.42895819 2.79965019 0.68669169 -0.83045137 -3.14862055 -1.401943 -1.70045954 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-09-7 34306 144213728 F F Isooctyl 2-mercaptoacetate CC(C)CCCCCOC(=O)CS Tox21_303417 -NCGC00015418-09 196717475 tox21-ror-cho-viability-p1 set2 4 1.68780564 0.62276649 0.17447633 1.95274547 2.64621062 4.32600213 9.10113262 3.30408752 6.41554125 2.79097322 2.2774108 1.92362917 2.7218219 1.54000669 4.30992323 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77-67-8 3291 170464802 F Ethosuximide CC1(CC)CC(=O)NC1=O Tox21_110370_1 -NCGC00018213-06 196717058 tox21-ror-cho-viability-p1 set2 4 16.7854920005 -14.393077392 2.5 -11.893077392 0.6999999999 0.6051957172 0.0940125315 -0.92819868 -1.16916921 3.45404465 3.92444619 0.71386225 5.62602148 5.24602447 6.81382931 -0.90672051 -0.31863631 -2.78107101 -1.01297438 -2.36190065 -4.19352588 -8.24423116 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5870-29-1 22162 170464720 A Cyclopentolate hydrochloride Cl.OC1(CCCC1)C(C(=O)OCCN(C)C)c2ccccc2 Tox21_110550_1 -NCGC00253568-01 196717067 tox21-ror-cho-viability-p1 set2 4 0.3349145963 -4.8732277599 3 -1.8732277599 4.9549173134 0.3906883228 0.2829080585 -0.03846956 -1.28345342 0.6095629 5.32574741 -1.83301667 6.22618143 5.42284572 8.33545655 -0.93811613 -0.27778467 -1.38663564 -3.02319368 -0.60372787 -2.14124668 -3.2276898 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 557-09-5 11180 170466899 Z Ac Zinc octanoate [Zn+2].CCCCCCCC([O-])=O.[O-]C(=O)CCCCCCC Tox21_113995 -NCGC00091070-02 196717069 tox21-ror-cho-viability-p1 set2 4 0.42758743 1.45269562 0.8032686 1.43512836 6.48646742 3.02318441 2.68568459 6.88967347 0.1817139 2.3285 0.20373889 -0.09677351 0.72672459 0.31915028 0.3580763 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 108-18-9 7912 170466002 F Diisopropylamine CC(C)NC(C)C Tox21_111075_1 -NCGC00091657-02 196711357 tox21-ror-cho-viability-p1 set2 4 3.69319481 -2.78612559 1.86165803 1.55690391 -1.81260028 4.65810773 -4.51754967 2.40272866 4.44438202 4.64604001 2.66745626 17.11464257 1.27980623 -0.14336433 0.27869184 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00255345-01 196710937 tox21-ror-cho-viability-p1 set2 4 1.89766369 7.27636056 1.34132203 1.51925594 6.31726423 4.15189247 2.23462874 1.93762804 0.01915115 3.32893688 0.25255211 0.43960149 1.41926835 4.35561273 8.6484763 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-47-6 5983 144211908 A A Physostigmine CNC(=O)Oc1cc2c(cc1)N(C)[C@H]3N(C)CC[C@@]23C Tox21_301591 -NCGC00018221-08 196711338 tox21-ror-cho-viability-p1 set2 4 0.1100351669 -9.695871056 -2.2654792759 -11.9613503319 1.4641 0.4935086368 0.1843503192 -0.88459799 -0.22123273 -3.7248928 -6.53519968 -3.13417006 -0.6223534 -7.83701871 -15.74639177 -12.95816743 -12.68457044 -10.73078891 -5.24840443 -4.1055998 -21.63445861 -12.40630366 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.331E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00357083-01 196711356 tox21-ror-cho-viability-p1 set2 4 -0.08169888 -6.50545246 -16.61300148 -3.68635625 -2.2684105 -1.84844495 -15.31924577 -10.33585918 -16.6670807 -41.88065999 -3.0490996 0 -23.22338755 -5.10868396 3.15761964 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6175-45-7 22555 251919922 A 2,2-Diethoxyacetophenone O=C(C(OCC)OCC)c1ccccc1 Tox21_303796 -NCGC00090965-04 196711750 tox21-ror-cho-viability-p1 set2 4 2.49069416 3.182129 1.48258377 3.26303537 2.47664855 3.03115027 3.33369699 5.95461904 2.49872248 3.52237681 5.90854143 1.03991239 2.41009518 11.65406576 4.50212265 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00260426-01 196711753 tox21-ror-cho-viability-p1 set2 4 -2.78280746 -3.14828861 -3.81277563 -5.88123844 -2.4040797 -9.67307343 -4.07273899 -4.59550169 -3.87508043 -7.20560496 -8.97107993 -7.78574631 -5.59101507 -1.84385349 -1.27537156 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004124 0.00009223 93-99-2 7169 144210078 F Fns Phenyl benzoate O=C(Oc1ccccc1)c2ccccc2 Tox21_202880 -NCGC00260672-01 196712169 tox21-ror-cho-viability-p1 set2 4 21.6458352432 -12.6609561279 1.5 -11.1609561279 1.6258976909 0.698969362 0.0388754353 -0.51890683 -1.29857278 0.68160676 -0.06690821 -0.99269954 3.63290915 7.21848528 1.2732419 6.48283244 -0.22786842 0.75034101 -1.02767319 -3.74319617 -8.16981387 -9.71746344 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.3169999999E-8 2.9459999999E-8 6.587E-8 1.4729999999E-7 3.294E-7 7.365E-7 0.0000016469999999 0.0000036819999999 0.000008234 0.000018409999999 0.00004117 0.00009206 1330-78-5 6529 144208744 A A Tricresyl phosphate Cc1ccc(cc1)OP(=O)(Oc2ccc(C)cc2)Oc3ccc(C)cc3 Tox21_201546 -NCGC00260056-01 196712178 tox21-ror-cho-viability-p1 set2 -1.1 28.9805098845 -83.8974405863 -7.228542435 -91.1259830213 4.9549173134 0.8773545164 0.0008741514 -0.13909626 -7.42705847 -9.96091037 -1.86064077 -1.03238454 -16.05933243 -39.20597896 0 -8.0715106 -8.08804256 0 0 -12.05359964 -87.28542435 -85.6290923 1.2399999999E-9 2.7739999999E-9 6.202E-9 1.387E-8 3.101E-8 6.934E-8 1.55E-7 3.467E-7 7.752E-7 0.000001733 0.000003876 0.000008667 0.000019379999999 0.00004334 0.0000969 11024-24-1 6537502 144209705 Digitonin [H][C@@]12O[C@]3(CC[C@@]([H])(C)CO3)[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]3([H])[C@@]([H])(CC[C@@]4([H])C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)C[C@]34C)[C@]1([H])[C@@H]2O Tox21_202507 -NCGC00356967-01 196712190 tox21-ror-cho-viability-p1 set2 -2.2 54.4826732819 -41.3049966808 -1 -42.3049966808 3.1319983358 0.680883386 0.0470791562 0.06769642 3.50328913 -0.52259433 1.54176311 1.3578849 4.54536227 4.32822297 -1.87448432 -14.38544215 2.61254658 -16.64017045 -0.80733686 1.98869366 -14.66710837 -35.07954294 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14938-35-3 26975 251919782 A 4-Pentylphenol Oc1ccc(CCCCC)cc1 Tox21_303837 -NCGC00259652-01 196709287 tox21-ror-cho-viability-p1 set2 4 -1.07260154 0.19333692 -0.39626163 0.17649258 0.05688405 0.26717048 -1.41651716 -2.34981402 0.13438609 0.41717293 -0.83183937 -0.55923599 -1.5706902 -2.34123415 0.20642543 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.96E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 23386-52-9 23692768 144209301 A A Dicyclohexyl sodium sulfosuccinate [Na+].O=C(OC1CCCCC1)C(CC(=O)OC2CCCCC2)S([O-])(=O)=O Tox21_202103 -NCGC00258837-01 196708868 tox21-ror-cho-viability-p1 set2 4 1.31181621 0.31907502 -8.42096704 -2.86598106 -5.02756465 -3.1754066 1.25629759 -0.26806764 -2.23482404 -5.38477027 -3.38205001 -4.25809356 -4.65678558 2.45262385 -5.58275052 1.1989999999E-9 2.68E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.701E-8 1.4979999999E-7 3.351E-7 7.492E-7 0.000001675 0.000003746 0.0000083759999999 0.00001873 0.00004188 0.00009365 131-56-6 8572 144208483 A A 2,4-Dihydroxybenzophenone O=C(c1ccc(O)cc1O)c2ccccc2 Tox21_201285 -NCGC00257609-01 196701744 tox21-ror-cho-viability-p1 set1 4 3.0202177847 -18.155676856 -4 -22.155676856 0.7999999999 0.6465763466 0.0661636519 -9.55614246 3.18547521 -7.4572007 -6.16463553 -6.44312933 -9.02410462 -9.29482293 -6.35225969 -6.30892508 -8.06423781 -12.24180286 -18.35141051 -26.79639738 -16.99328648 -16.99296711 1.166E-9 2.6069999999E-9 5.83E-9 1.304E-8 2.9149999999E-8 6.518E-8 1.457E-7 3.259E-7 7.287E-7 0.0000016299999999 0.0000036439999999 0.0000081479999999 0.00001822 0.00004074 0.00009109 5743-04-4 6537495 144207253 A A Cadmium acetate dihydrate O.[Cd+2].O.[O-]C(C)=O.[O-]C(C)=O Tox21_200055 -NCGC00256139-01 196701345 tox21-ror-cho-viability-p1 set1 4 -7.79318283 -7.8260455 -3.98325193 -4.43815127 -1.40306665 -4.27907713 -3.8896476 -0.63445487 -3.36181176 -1.39600782 -1.92160198 0.17071207 0.98331194 -1.14385734 -4.68446028 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 488-10-8 1549018 144212142 A Fc Jasmone CC=1CCC(=O)C=1C\C=C/CC Tox21_301825 -NCGC00257571-01 196701739 tox21-ror-cho-viability-p1 set1 4 -3.70806133 -2.28641549 -5.64502334 0.06499294 -4.70667218 -11.27477533 -11.3762119 -5.77056588 -1.58857695 -5.75825625 -0.05630788 -8.45194732 -7.70826117 -0.53682556 1.4171482 1.193E-9 2.667E-9 5.964E-9 1.333E-8 2.982E-8 6.6669999999E-8 1.491E-7 3.3339999999E-7 7.4539999999E-7 0.0000016669999999 0.0000037269999999 0.0000083339999999 0.00001864 0.00004167 0.00009318 554-95-0 11138 144207215 A A 1,3,5-Benzenetricarboxylic acid OC(=O)c1cc(cc(c1)C(=O)O)C(=O)O Tox21_200017 -NCGC00257874-01 196701743 tox21-ror-cho-viability-p1 set1 -3 0.6001327863 -62.5605463648 -2.071195478 -64.6317418428 4.9549173134 0.9312550615 0.0045972345 0.83253324 -0.92576592 1.74851399 -3.2872563 -12.01097304 -1.21761445 -2.78018845 -1.4502122 -48.96344079 -2.94111419 1.91753668 -1.85320918 -4.42159264 -8.23734743 -9.45657054 1.162E-9 2.598E-9 5.808E-9 1.299E-8 2.9039999999E-8 6.494E-8 1.4519999999E-7 3.247E-7 7.2599999999E-7 0.000001623 0.0000036299999999 0.000008117 0.000018149999999 0.00004059 0.00009076 50-30-6 5758 144207518 Z Z 2,6-Dichlorobenzoic acid OC(=O)c1c(Cl)cccc1Cl Tox21_200320 -NCGC00258218-01 196701761 tox21-ror-cho-viability-p1 set1 4 30.2332633677 -20.826188364 -4 -24.826188364 0.5 0.4961599461 0.1993109056 -4.43280206 -6.95839969 -5.79613587 3.2662612 -6.39679293 -8.22028912 -6.55575358 -7.55332222 -1.59858244 -11.09902348 -12.76868655 -7.7277047 -10.58792043 -17.35515697 -10.37434964 1.167E-9 2.61E-9 5.836E-9 1.305E-8 2.918E-8 6.525E-8 1.459E-7 3.2629999999E-7 7.295E-7 0.000001631 0.000003648 0.000008157 0.000018239999999 0.00004078 0.00009119 2495-25-2 17234 144207862 D Tridecyl methacrylate C=C(C)C(=O)OCCCCCCCCCCCCC Tox21_200664 -NCGC00258127-01 196701762 tox21-ror-cho-viability-p1 set1 4 0.0155428804 5.297023264 -4.297023264 1 3.9899729863 0.5739019217 0.1187397898 0.82041712 -7.33085272 -5.87241606 -2.34726478 0.29881342 0.81082552 -0.05095575 0.18276694 1.60504599 1.15803344 0.14708463 3.00584651 3.11943037 0.14520145 0.80074864 1.1919999999E-9 2.6649999999E-9 5.96E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.332E-7 7.45E-7 0.0000016659999999 0.000003725 0.000008329 0.00001862 0.00004164 0.00009312 3333-52-6 18745 144207771 A A Tetramethylsuccinonitrile CC(C)(C#N)C(C)(C)C#N Tox21_200573 -NCGC00094989-04 196725842 tox21-ror-cho-viability-p1 set3 4 -0.79444158 0.47372101 2.08927187 5.36115197 7.96535119 -5.32923906 12.54807443 13.14336516 13.43595749 11.68440388 11.58064924 2.53424784 -0.3959528 0.5379169 -0.21604375 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4940-39-0 2741 170466383 A Chromocarb O=C(O)C1=CC(=O)c2ccccc2O1 Tox21_111376_1 -NCGC00016012-12 196725028 tox21-ror-cho-viability-p1 set3 4 3.07100985 3.20154553 -0.36015344 0.16817872 0.52887443 -0.26572047 1.69512384 2.47371901 1.06467362 0.34868896 3.35430944 2.77806161 1.91865804 0.62736015 1.81953619 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1098-60-8 66069 170465325 A Triflupromazine hydrochloride Cl.FC(F)(F)c1cc2N(CCCN(C)C)c3ccccc3Sc2cc1 Tox21_111276_1 -NCGC00253766-01 196725422 tox21-ror-cho-viability-p1 set3 4 3.02893113 7.31797319 -1.71345643 0.71314487 4.51391584 0.70028787 5.3863559 -0.73270188 -0.06532439 10.49686158 6.4944187 3.68136733 9.24533302 3.35459945 3.05691284 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 774-40-3 13050 170466686 F A Ethyl mandelate OC(C(=O)OCC)c1ccccc1 Tox21_113879 -NCGC00249930-01 196725432 tox21-ror-cho-viability-p1 set3 4 0.003349146 9.761494324 -10.761494324 -1 4.9549173134 0.4101446775 0.2624371607 -7.17203882 -14.80124527 -7.32667749 4.60207771 -1.85736676 -6.6908892 -9.01132789 2.46440446 -2.83354012 -0.52962493 -7.73216041 2.03999299 1.71216983 2.05367595 3.93788241 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3686-58-6 72137 170465945 A A Tolycaine O=C(Nc1c(C)cccc1C(=O)OC)CN(CC)CC Tox21_113706 -NCGC00016509-06 196725857 tox21-ror-cho-viability-p1 set3 4 0.0007497804 16.500469768 -18.000469768 -1.5 4.9549173134 0.437356166 0.2369789257 -14.16705814 0 -6.9061161 -2.16204225 -6.91895723 1.20273209 3.20287726 3.73185141 -5.31237954 -0.94127264 -0.05448229 2.6675941 -7.04771448 -1.52667004 -2.01238856 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 554-92-7 68385 170465132 A Trimethobenzamide hydrochloride Cl.COc1c(cc(cc1OC)C(=O)NCc2ccc(OCCN(C)C)cc2)OC Tox21_110465_1 -NCGC00183049-01 196726254 tox21-ror-cho-viability-p1 set3 -2.2 29.8492948118 -54.4614180539 -2.748876406 -57.2102944599 4.5044702849 0.9229343732 0.0000851163 -9.21639116 -6.69855885 -6.54740744 0.77159418 -5.34437281 1.49704844 1.87954956 -2.8527168 0.04807054 -6.62830061 1.89685201 -0.37924335 -2.46069758 -11.83919277 -50.59191205 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 139233-53-7 60196351 144206852 Z Z Zelandopam Cl.Oc1ccc(cc1O)[C@H]3CNCc2c3ccc(O)c2O Tox21_113301 -NCGC00259037-01 196721943 tox21-ror-cho-viability-p1 set3 4 38.492343126 11.647691816 -4.647691816 7 2.7202212143 0.7485597095 0.0202865241 -8.03974318 -6.6097087 -6.16068395 -4.01762187 -2.37014553 -4.75641224 -4.13279113 -4.59317303 -3.65786041 -2.18733635 -2.07588863 -4.75885555 -5.60682672 2.25809936 5.72352828 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 43222-48-6 39424 144208684 A A Difenzoquat metilsulfate Cn2[n+](C)c(cc2c1ccccc1)c3ccccc3.[O-]S(=O)(=O)OC Tox21_201486 -NCGC00259822-01 196721531 tox21-ror-cho-viability-p1 set3 4 1.28704824 6.53272418 6.76607919 6.48553306 2.23422369 2.73230581 -1.69554509 3.95618841 -2.09111262 5.69030143 4.12307654 6.04655231 -0.63790498 7.73923301 10.6798437 1.175E-9 2.6269999999E-9 5.873E-9 1.3129999999E-8 2.9369999999E-8 6.566E-8 1.468E-7 3.2829999999E-7 7.3419999999E-7 0.000001642 0.0000036709999999 0.000008208 0.00001835 0.00004104 0.00009177 298-46-4 2554 144209471 A A Carbamazepine NC(=O)N2c3ccccc3C=Cc1ccccc12 Tox21_202273 -NCGC00090750-04 196721542 tox21-ror-cho-viability-p1 set3 4 -3.88893544 -2.84364674 3.17686695 7.69416579 -2.14293869 -3.83611897 -2.93793235 -2.33772153 -8.0723078 -1.99772304 -1.39224635 2.32258629 -2.16957825 -4.91941961 -10.2410525 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00258994-01 196721938 tox21-ror-cho-viability-p1 set3 4 26.5027163452 7.9552005239 -4.4552005239 3.5 4.9549173134 0.3928675096 0.2804024635 -6.18476806 -3.99912391 -5.7408046 3.82051628 -0.20815561 -6.14595303 -6.55401977 -4.42148763 -4.27163648 -2.4412655 -6.34587737 -5.54122042 -6.62933377 5.66126581 0.86297342 1.1509999999E-9 2.575E-9 5.757E-9 1.2869999999E-8 2.879E-8 6.437E-8 1.4389999999E-7 3.218E-7 7.196E-7 0.000001609 0.0000035979999999 0.0000080459999999 0.00001799 0.000040229999999 0.00008995 108-21-4 7915 144208641 FNS Isopropyl acetate CC(=O)OC(C)C Tox21_201443 -NCGC00091596-05 196722329 tox21-ror-cho-viability-p1 set3 4 9.66452606 2.66581893 4.04636942 -4.07144718 2.77974595 2.98408826 2.02668559 10.13786096 -0.2005192 7.79923545 2.56924448 1.22620025 0.0266231 4.10954924 10.09425841 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-11-4 5281 170465630 A Octadecanoic acid O=C(O)CCCCCCCCCCCCCCCCC Tox21_111154_1 -NCGC00247727-01 196722335 tox21-ror-cho-viability-p1 set3 4 0.0015152526 -26.4735107279 20 -6.4735107279 4.9549173134 0.6837503963 0.0555469923 15.70676398 -7.95730133 -8.27049535 -2.59239099 -0.80552206 -8.34044884 -1.51413462 -5.24719137 -0.54278805 -8.05550059 -10.48786992 -12.06125894 -11.82639503 -5.80167453 8.86425285 1.167E-9 2.609E-9 5.8339999999E-9 1.304E-8 2.917E-8 6.522E-8 1.458E-7 3.261E-7 7.2919999999E-7 0.000001631 0.000003646 0.000008153 0.00001823 0.000040759999999 0.00009115 7558-73-8 24721009 144206446 A A N,N-Dipropyltryptamine hydrochloride Cl.CCCN(CCC)CCc2cnc1ccccc12 Tox21_112893 -NCGC00091586-02 196722336 tox21-ror-cho-viability-p1 set3 4 51.5595002592 -15.505479956 6.5 -9.005479956 2.6384283767 0.522009311 0.1598198484 8.98302512 3.68270883 9.9823447 1.75627709 4.98008737 5.46395898 3.23712791 7.63924602 12.66604566 8.34755817 9.17202252 1.64896646 3.09340402 2.49971033 -6.25456663 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00254318-01 196720767 tox21-ror-cho-viability-p1 set3 4 1.3685428777 9.0138571159 -9.0138571159 0 0.7 0.3625918532 0.3083068139 -0.05970449 -18.34488093 -8.97714765 -4.76590872 -10.10098011 -11.91959579 -4.80242091 -7.25955049 -4.64612141 -4.47375421 -1.75646695 -1.82298783 -7.03324254 3.01526277 -0.25046758 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68515-49-1 33599 144210848 A F 1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C Tox21_300530 -NCGC00254508-01 196720754 tox21-ror-cho-viability-p1 set3 4 13.10042732 1.21133992 5.31450619 -0.76224848 11.88770212 -0.78443113 -0.15573171 6.56957104 -0.65603732 1.66945699 -0.12245548 3.41187146 5.4136676 0.18918613 0.59307934 1.173E-9 2.622E-9 5.863E-9 1.311E-8 2.9319999999E-8 6.5549999999E-8 1.466E-7 3.2779999999E-7 7.329E-7 0.0000016389999999 0.000003665 0.000008194 0.00001832 0.000040969999999 0.00009161 7747-35-5 82190 144210864 A Ac 5-Ethyl-1-aza-3,7-dioxabicyclo[3.3.0]octane CCC12COCN2COC1 Tox21_300546 -NCGC00254857-01 196720755 tox21-ror-cho-viability-p1 set3 4 0.002730602 20.5856571999 -21.5856571999 -1 0.5 0.6132516387 0.101403743 -12.0685362 -16.321381 -7.90804235 0.13022624 -12.17029936 -6.0232987 -3.39432849 -1.60909554 -1.33077874 -0.80317279 -0.94722618 1.54316299 -3.14864951 -2.75383545 -14.3286353 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 62924-70-3 62210 144211272 A A Flumetralin Clc2cccc(F)c2CN(CC)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Tox21_300955 -NCGC00163843-03 196720758 tox21-ror-cho-viability-p1 set3 4 0.4402638028 28.0987186399 -19.0987186399 9 0.2 0.634888617 0.0734911027 -14.22086166 -17.9989322 -4.48878637 -5.24959736 -10.97037453 -7.65723905 -3.37255148 -5.04353784 -5.06167008 -7.74713528 -0.86790929 -2.22911895 -1.57160566 -2.04055084 7.20411666 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00259439-01 196721159 tox21-ror-cho-viability-p1 set3 4 44.3355177378 9.9296929039 -2.9296929039 7 3.0654483358 0.31591398 0.3535644257 -6.60807742 -5.41949511 2.48161431 7.71549768 -5.38533649 -2.92809925 -6.00901726 -3.32270554 -2.06604427 -3.40717954 -3.70983199 -6.55329832 -4.85632444 2.66500509 5.74704427 1.204E-9 2.693E-9 6.021E-9 1.346E-8 3.011E-8 6.732E-8 1.5049999999E-7 3.366E-7 7.527E-7 0.000001683 0.000003763 0.0000084149999999 0.00001882 0.00004208 0.00009408 96-23-1 7289 144209088 A A 1,3-Dichloro-2-propanol ClCC(O)CCl Tox21_201890 -NCGC00258723-01 196730293 tox21-ror-cho-viability-p1 set3 4 0.38457319 0.96285188 0.68175986 0.67698927 -2.33512236 1.48665198 -0.04185134 -1.35883688 -0.04394639 -0.50745169 2.48478939 -1.09639863 2.91234712 -1.11362 3.98512599 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.629E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008287 0.00001853 0.000041429999999 0.00009265 111-16-0 385 144208369 A Ac Heptanedioic acid O=C(O)CCCCCC(=O)O Tox21_201171 -NCGC00257897-01 196729880 tox21-ror-cho-viability-p1 set3 4 3.0513272399 8.806471752 -5.306471752 3.5 1.17051 0.3642436357 0.3065942614 -4.39120538 -3.22152733 -3.00949152 -2.43473106 -1.41787394 -19.83872646 -4.66693868 0.49654791 -5.85975875 -3.00334084 0.50708944 0.80750501 2.69855027 2.15595838 3.92732086 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.315E-8 2.94E-8 6.573E-8 1.4699999999E-7 3.2869999999E-7 7.3489999999E-7 0.000001643 0.000003674 0.0000082159999999 0.00001837 0.00004108 0.000091859999999 619-80-7 12091 144207541 A A 4-Nitrobenzamide O=[N+]([O-])c1ccc(cc1)C(N)=O Tox21_200343 -NCGC00257902-01 196729886 tox21-ror-cho-viability-p1 set3 4 21.8444373394 16.1422053239 -4.1422053239 12 0.7999999999 0.5990084216 0.0979837601 -5.89545408 -4.15032215 -2.11009148 -6.01604318 -1.49440403 -2.00881843 -0.0915529 -13.45183777 -0.08884513 0 0 -1.12730462 3.73737391 6.39312694 8.13726747 1.187E-9 2.6549999999E-9 5.937E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.3189999999E-7 7.421E-7 0.000001659 0.0000037099999999 0.000008297 0.00001855 0.000041479999999 0.00009276 633-65-8 12456 144207546 A A Berberine chloride [Cl-].COc2ccc1cc3c4cc5OCOc5cc4CC[n+]3cc1c2OC Tox21_200348 -NCGC00258538-01 196729889 tox21-ror-cho-viability-p1 set3 4 11.924777139 -16.8452254439 0 -16.8452254439 1.4641 0.8026139708 0.0106119915 0.29403591 2.68113617 -0.30021088 -1.09963052 2.25954331 -0.29838578 0.71386945 2.84493845 -4.52660886 -2.21638691 -4.16782312 -1.59932964 -13.92691322 -14.03768787 -6.07408195 1.158E-9 2.5899999999E-9 5.792E-9 1.2949999999E-8 2.896E-8 6.4759999999E-8 1.448E-7 3.238E-7 7.241E-7 0.0000016189999999 0.00000362 0.000008095 0.0000181 0.000040479999999 0.00009051 101-79-1 7578 144208183 A A 4-Chloro-4'-aminodiphenyl ether Clc2ccc(Oc1ccc(N)cc1)cc2 Tox21_200985 -NCGC00258579-01 196730304 tox21-ror-cho-viability-p1 set3 4 0.92111841 4.25056596 0.28734187 4.53775393 2.16455904 1.82568217 0.25933683 0.58073154 5.73694411 3.22649494 2.1411089 2.09149734 1.55525407 0.23387362 -0.10986195 1.219E-9 2.725E-9 6.093E-9 1.3619999999E-8 3.046E-8 6.8119999999E-8 1.5229999999E-7 3.406E-7 7.616E-7 0.000001703 0.000003808 0.000008515 0.000019039999999 0.000042579999999 0.0000952 109-99-9 8028 144208224 FNS Tetrahydrofuran C1CCCO1 Tox21_201026 -NCGC00024309-17 196704166 tox21-ror-cho-viability-p1 set1 4 -1.1254533 3.77734384 0.1158165 -5.53555834 -1.25496139 -4.26771786 -1.96041339 -5.96475869 -0.27526627 -0.7520522 4.12169518 0.10274926 6.83082045 -3.62919497 5.16534014 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 42399-41-7 39186 170464699 A (+)-Diltiazem CN(C)CCN1c3ccccc3S[C@H]([C@@H](OC(C)=O)C1=O)c2ccc(OC)cc2 Tox21_110898_1 -NCGC00015675-08 196703757 tox21-ror-cho-viability-p1 set1 4 1.57776504 1.02821143 2.20203156 0.54287925 3.17087473 0.35071046 7.07756944 -0.97636702 -9.45848486 -0.7024564 1.50505494 -14.49187444 3.30266655 0.37355786 5.78640923 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00025014-03 196704157 tox21-ror-cho-viability-p1 set1 -3 33.4914596268 -91.1067695163 -0.161181335 -91.2679508513 4.9549173134 0.9902385618 7E-10 0.02626715 1.55220734 -3.74782736 -1.85912876 -1.31053716 0.02867499 0.92965431 1.17506354 0.26100133 0.67739641 -0.68707532 -1.26494863 -1.61856136 -4.26433181 -80.05960601 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 102992-93-8 357904 170466162 A (+/-) -Niguldipine hydrochloride (1:x) Cl.[O-][N+](=O)c1cccc(c1)C2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OCCCN3CCC(CC3)(c4ccccc4)c5ccccc5 Tox21_112014_1 -NCGC00167754-02 196704160 tox21-ror-cho-viability-p1 set1 4 -0.45909964 -4.65807024 0.51395339 0.01257211 0.04990088 -0.56736725 -7.51846466 1.45808167 -0.49494499 -0.80347499 -1.42489257 -6.11548572 0.54105045 -0.84171084 -7.93035358 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66898-62-2 48229 170466420 A Talniflumate FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)OC4OC(=O)c3ccccc34 Tox21_112584_1 -NCGC00179680-05 196704179 tox21-ror-cho-viability-p1 set1 4 2.16377502 7.04318704 3.08331974 0.43980928 1.01473536 2.82688369 -1.30915731 2.51477559 -0.05815314 1.23585677 2.64419517 1.47968197 2.56623613 1.31367057 1.0130007 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4205-90-7 2803 170464900 A Clonidine Clc2cccc(Cl)c2\N=C1/NCCN1 Tox21_110118_1 -NCGC00159417-05 196704574 tox21-ror-cho-viability-p1 set1 -2.2 29.8492948118 -67.7740145078 -1.1035326039 -68.8775471117 2.9522712143 0.9907225018 5E-10 -2.1449693 0.57507293 -3.40518916 -3.54098679 1.37060611 0.26644733 -0.58129738 -0.30200762 -1.05843749 -1.36030974 -0.16993741 -0.44726169 -3.79782955 -17.92441257 -54.66471993 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3380-34-5 5564 170464936 Ac Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_111648_1 -NCGC00260308-01 196702944 tox21-ror-cho-viability-p1 set1 4 0.75013388 -2.71251516 6.07029289 -3.83536675 1.06662757 -0.18667271 -0.09542843 0.01903177 0.13296914 0.1762837 -4.41436364 -4.98906515 3.31145855 1.26440114 -3.84134991 5.8759999999E-10 1.314E-9 2.938E-9 6.569E-9 1.469E-8 3.2849999999E-8 7.345E-8 1.642E-7 3.672E-7 8.211E-7 0.000001836 0.0000041059999999 0.0000091809999999 0.00002053 0.0000459 28777-98-2 5354626 144209959 D A Dihydro-3-(octadecenyl)-2,5-furandione O=C1OC(=O)CC1\C=C\CCCCCCCCCCCCCCCC Tox21_202761 -NCGC00257646-01 196701701 tox21-ror-cho-viability-p1 set1 4 -15.0958433 -8.24154916 -8.63813135 -14.22349393 -10.5765663 -14.55667392 -13.64478184 -20.75338934 -5.22499753 -12.55041139 -21.26134078 -14.69036067 -18.15367687 -13.29690243 -19.58462078 1.235E-9 2.762E-9 6.176E-9 1.381E-8 3.088E-8 6.905E-8 1.544E-7 3.453E-7 7.721E-7 0.0000017259999999 0.0000038599999999 0.000008632 0.000019299999999 0.000043159999999 0.00009651 961-11-5 13745 144207290 A A Tetrachlorovinphos Clc1cc(C(=CCl)OP(=O)(OC)OC)c(Cl)cc1Cl Tox21_200092 -NCGC00257602-01 196702522 tox21-ror-cho-viability-p1 set1 4 -14.68119427 -8.23868169 -0.23556833 -7.56458737 -18.27279988 -7.68904951 -9.62269749 -6.04846823 -4.40147875 -17.03802427 -16.94974525 -15.09021715 -8.26044653 -21.9942062 -9.37491982 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.9409999999E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.0000411 0.00009189 103-03-7 61002 144207246 A A Phenicarbazide NC(=O)NNc1ccccc1 Tox21_200048 -NCGC00257914-01 196702535 tox21-ror-cho-viability-p1 set1 4 -3.00703581 -7.08451409 3.65794277 -0.76257984 -9.44037232 -8.0445376 -10.29808041 -5.62914306 -4.88918101 -8.58593687 -5.59992975 -0.86549105 -7.93025798 -3.01663814 -1.42133126 1.156E-9 2.585E-9 5.78E-9 1.292E-8 2.8899999999E-8 6.4619999999E-8 1.4449999999E-7 3.231E-7 7.225E-7 0.000001616 0.000003613 0.000008078 0.000018059999999 0.00004039 0.00009031 768-52-5 13032 144207558 D N-Isopropylaniline CC(C)Nc1ccccc1 Tox21_200360 -NCGC00260307-01 196702954 tox21-ror-cho-viability-p1 set1 4 30.6067041936 -21.29323976 0.5 -20.79323976 0.9099999999 0.840596519 0.0029876932 2.14679895 0.27547323 -2.91586962 2.74890863 5.25268313 0.80009559 -3.21381297 -0.7172477 0.15147398 -3.49044941 -1.16465124 -4.7224893 -8.06482715 -9.8746106 -17.3276998 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.000008236 0.00001842 0.000041179999999 0.00009208 68584-22-5 29249 144209958 F (C10-C16) Alkylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_202760 -NCGC00259802-01 196702957 tox21-ror-cho-viability-p1 set1 -2.4 31.7002307928 -19.08441158 -1.5 -20.58441158 4.9549173134 0.8509805353 0.0021961418 -0.37915121 0.47956798 0.46415949 -1.74930033 1.03869221 -6.92284193 0.43645434 -6.08090077 -3.23604148 -4.58656199 -0.80180171 -0.84723368 -0.76628818 -16.95477139 -20.48700965 1.214E-9 2.7139999999E-9 6.0679999999E-9 1.357E-8 3.034E-8 6.7839999999E-8 1.517E-7 3.3919999999E-7 7.5849999999E-7 0.000001696 0.0000037919999999 0.00000848 0.00001896 0.000042399999999 0.00009481 136-35-6 8689 144209451 F F Diazoaminobenzene N(=N/Nc1ccccc1)\c2ccccc2 Tox21_202253 -NCGC00357047-01 196702958 tox21-ror-cho-viability-p1 set1 4 -0.62877004 -0.54526655 1.71964634 -0.62708581 -6.95732836 0.32473212 -0.15369101 -6.87768504 2.13181792 -7.39097998 1.18060135 1.38576082 1.6779551 -10.69993946 -7.46342337 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13963-57-0 91759529 251919866 A Aluminum trisacetoacetate C\C(=[O+]\[Al](\[O+]=C(\C)[CH-]C(C)=O)\[O+]=C(\C)[CH-]C(C)=O)[CH-]C(C)=O Tox21_303741 -NCGC00344532-01 196725024 tox21-ror-cho-viability-p1 set3 4 6.61111857 4.77608135 -0.56764406 -0.90829163 -0.72903725 0.81176962 -0.52225058 5.20182359 8.84154885 1.38031602 0.31143267 0.57711762 -0.31465192 0.14868606 9.69049559 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 526-99-8 3037582 170464883 Z Mucic acid O[C@@H]([C@H](O)[C@H](O)[C@@H](O)C(=O)O)C(=O)O Tox21_113190_1 -NCGC00091586-02 196725008 tox21-ror-cho-viability-p1 set3 4 -0.29303379 0.60638419 8.43573609 13.32316748 6.54406371 -2.07885683 0.55896183 7.15808146 5.84843282 -2.63471645 3.73474596 18.05489054 -3.39660821 13.2187934 -5.80479363 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00249890-01 196725016 tox21-ror-cho-viability-p1 set3 4 2.9849294812 4.2547607759 -2.7547607759 1.5 4.9549173134 0.3295521876 0.3581892003 -4.13145905 0 -1.00457305 1.83902906 -1.87954947 -3.82241423 -2.53724256 -3.85569041 -3.39249417 -9.79563398 -4.26218277 1.8533694 1.97379786 0.66464602 -2.4970714 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64-55-1 6151 170465233 A A Mebutamate O=C(N)OCC(C)(COC(=O)N)C(C)CC Tox21_113666 -NCGC00015256-12 196725023 tox21-ror-cho-viability-p1 set3 2.4 5.1714190046 21.2335132601 1.2664867399 22.5 1.4641 0.7226106376 0.0287847535 0 -6.86126105 -0.99443589 -0.27598096 1.33197278 10.5995414 -1.58736789 4.24333731 3.79129801 2.32211483 1.14753935 7.99862845 8.2550733 19.49837832 18.75564086 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 50-63-5 64927 170464753 A Chloroquine O=P(O)(O)O.O=P(O)(O)O.CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 Tox21_110115_1 -NCGC00095911-06 196725025 tox21-ror-cho-viability-p1 set3 4 -10.6019534 -7.30997128 -1.93923375 -5.8670792 -1.18118908 -1.84232676 1.8839087 -4.44221845 -2.43526364 0.13431716 1.28338656 2.87202966 0.18952218 -21.47211206 -0.43201372 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 111974-69-7 5002 170465146 A Quetiapine OCCOCCN1CCN(CC1)C3=Nc4ccccc4Sc2ccccc23 Tox21_111537_1 -NCGC00164164-02 196725029 tox21-ror-cho-viability-p1 set3 -1.2 0.7695882154 -45.484048091 4 -41.484048091 0.3 0.7527616586 0.0186286914 0.0288596 -3.71671129 0 0 -12.92272208 -24.01832114 -15.44071742 -13.6759271 -19.75374338 -16.93561814 -19.47596844 -15.93399331 -38.08257785 -30.77729856 -34.60319996 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00167430-04 196725431 tox21-ror-cho-viability-p1 set3 -2.4 33.4914596268 -25.6804570119 1 -24.6804570119 4.9549173134 0.8658848316 0.0013491617 0.59058195 -2.00835415 -1.06373251 -1.52721358 1.34476297 5.13644195 -1.60806305 -1.41402895 3.77983866 1.27500574 2.27874627 3.24125297 0 -0.56146574 -20.56704751 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 65899-73-2 5482 170465343 A Tioconazole Clc3sccc3COC(Cn1ccnc1)c2ccc(Cl)cc2Cl Tox21_112434_1 -NCGC00178869-03 196725433 tox21-ror-cho-viability-p1 set3 4 2.58275484 4.24439243 0 2.00629417 4.81912387 4.62127448 6.95750258 7.87369642 1.0314462 -1.86620638 2.15500174 -2.5200648 6.9089835 4.90350096 4.12270942 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-61-7 60961 170465447 A Adenosine Nc3ncnc2c3ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Tox21_110891_1 -NCGC00015802-18 196725437 tox21-ror-cho-viability-p1 set3 -3 29.8492948118 -56.6965995069 5.5 -51.1965995069 3.2974983358 0.8359359816 0.0033717343 2.2879187 0.76691772 1.2236813 -0.98048974 8.47670271 8.3869853 15.26719614 14.40052038 1.95926447 9.70466747 7.18374898 -0.01637607 -2.32601739 -6.5881223 -40.34659176 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2062-78-4 16362 170464864 A Pimozide Fc1ccc(cc1)C(CCCN2CCC(CC2)N3c4ccccc4NC3=O)c5ccc(F)cc5 Tox21_110224_1 -NCGC00274081-01 196725446 tox21-ror-cho-viability-p1 set3 4 0.1059092946 3.8090886799 -2.8090886799 1 4.9549173134 0.3353691981 0.3372942322 -2.0536332 0 -0.26364254 -1.64492089 -6.5075739 -3.65722943 -3.95882339 3.49780385 2.68851938 -0.31503826 -5.41335374 2.40000493 1.81258529 3.27806516 1.02850591 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33996-33-7 65784 170466355 A Oxaceprol O[C@@H]1C[C@@H](C(=O)O)N(C1)C(=O)C Tox21_112152_1 -NCGC00016008-04 196725843 tox21-ror-cho-viability-p1 set3 4 -1.74175229 2.94186696 -0.01057964 -0.98340232 2.65814996 2.20491851 3.35903399 1.23665829 -0.61797178 1.30008612 1.20980016 -1.48402005 4.49164654 1.18269689 5.7033202 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56-34-8 5946 170466200 F Tetraethylammonium chloride [Cl-].CC[N+](CC)(CC)CC Tox21_111281_1 -NCGC00091163-03 196725846 tox21-ror-cho-viability-p1 set3 4 4.57322381 5.11287811 0.05787859 -0.44842068 -1.15101208 1.28142962 1.37448558 -2.59251969 -3.26152089 -0.56575265 -2.5006667 -0.1503344 5.47540033 -2.80975376 3.50772915 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00319023-01 196725850 tox21-ror-cho-viability-p1 set3 4 0.34127425 0.01408363 -0.99670153 -0.18505438 4.28249915 2.52687527 6.8571161 0.84783506 2.84443326 14.06617618 13.03874959 7.2836299 2.17502582 -0.73806785 1.68552746 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 171049-14-2 80274 170466632 A F Lotrafiban O=C(c1ccc2N[C@@H](CC(=O)O)C(=O)N(C)Cc2c1)N3CCC(CC3)C4CCNCC4 Tox21_113989 -NCGC00163724-03 196716386 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -14.518084252 -1 -15.518084252 3.0654483358 0.7632411601 0.016171957 -5.16005343 -1.07787839 -0.72887808 -0.57358111 1.1494083 0.195848 -0.2203524 1.01645162 -0.44941334 -0.25152634 -0.54414318 -1.70549979 -2.74802272 -3.0681236 -11.26507021 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00258095-01 196716388 tox21-ror-cho-viability-p1 set2 4 3.68965043 -0.94815728 1.27539968 4.16655539 3.19463251 1.4722281 -1.28686883 0.66823519 2.70547434 1.81762252 1.10364058 1.63189071 0.71583783 2.67695831 1.75008565 1.204E-9 2.693E-9 6.0219999999E-9 1.347E-8 3.011E-8 6.733E-8 1.506E-7 3.367E-7 7.528E-7 0.000001683 0.0000037639999999 0.000008416 0.00001882 0.00004208 0.000094099999999 117-99-7 8348 144207739 A A 2-Hydroxybenzophenone O=C(c1ccccc1O)c2ccccc2 Tox21_200541 -NCGC00257974-01 196716389 tox21-ror-cho-viability-p1 set2 4 -1.38578009 -1.23057175 -0.19299544 0.97885312 -5.22606735 -1.18809191 -5.12632245 -1.46684093 -0.0508109 -1.49403684 -0.57164946 -1.23509635 0.01408074 2.58092199 3.63932118 1.134E-9 2.5349999999E-9 5.669E-9 1.268E-8 2.8339999999E-8 6.338E-8 1.4169999999E-7 3.169E-7 7.086E-7 0.000001584 0.000003543 0.000007922 0.00001772 0.000039609999999 0.00008858 110-71-4 8071 144207618 Ethylene glycol dimethyl ether COCCOC Tox21_200420 -NCGC00257887-01 196716393 tox21-ror-cho-viability-p1 set2 4 -5.14156398 -3.102298 1.12055316 -3.71829522 1.9775016 0.84838304 1.31286114 -0.77213301 -1.68111062 -0.37898402 -3.64932235 -0.18953109 -2.49973706 -5.11087096 -2.57984296 1.156E-9 2.585E-9 5.779E-9 1.292E-8 2.8899999999E-8 6.461E-8 1.4449999999E-7 3.231E-7 7.224E-7 0.000001615 0.000003612 0.0000080769999999 0.000018059999999 0.00004038 0.0000903 578-46-1 11356 144207531 A A 5-Methyl-2-nitroaniline O=[N+]([O-])c1ccc(C)cc1N Tox21_200333 -NCGC00178754-06 196716793 tox21-ror-cho-viability-p1 set2 4 -0.87964351 0.07536925 1.94161523 3.33831886 0.15299348 4.09720519 3.60958999 1.93337014 -0.00400585 1.34640039 -4.79328953 2.62843717 1.16550484 -2.97155022 -2.02727658 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63-45-6 6135 170465072 A Primaquine diphosphate O=P(O)(O)O.O=P(O)(O)O.CC(CCCN)Nc1cc(cc2cccnc12)OC Tox21_110350_1 -NCGC00258089-01 196715994 tox21-ror-cho-viability-p1 set2 -1.1 17.1763845836 -105.1725907542 1.527769932 -103.6448208222 1.8616924601 0.9853431951 7.8E-9 1.38266768 4.02803419 0.42800963 1.57972853 2.72388213 3.81949793 4.28508077 2.04459783 2.46684145 -7.93624603 -6.27751462 -20.96420863 -48.4107803 -95.43721991 -93.73143933 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.354E-7 0.0000016439999999 0.0000036769999999 0.0000082219999999 0.000018379999999 0.00004111 0.00009192 115-17-3 8256 144207733 F Tribromoacetaldehyde BrC(Br)(Br)C=O Tox21_200535 -NCGC00258326-01 196715590 tox21-ror-cho-viability-p1 set2 -1.1 12.3958814916 -94.8414536292 1.687981278 -93.1534723512 1.8851180601 0.9863907504 5.1E-9 -1.25366535 -1.50349799 3.63657291 0.7652832 0.42157119 6.86697208 1.80026825 -0.59171932 0.8354227 0.99710611 -2.70315451 -24.45265267 -72.88232714 -83.41091609 -86.25321514 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.000001671 0.000003737 0.000008357 0.00001869 0.000041779999999 0.00009343 5153-67-3 5284459 144207970 A B (E)-beta-Nitrostyrene [O-][N+](=O)/C=C/c1ccccc1 Tox21_200772 -NCGC00258097-01 196715592 tox21-ror-cho-viability-p1 set2 -2.4 30.8560878831 -27.3797513159 2.5 -24.8797513159 1.752947691 0.8852130886 0.0006380234 8.65562515 0.30021401 2.32315626 -0.74694516 3.46565428 1.8410164 -0.68349597 2.1380739 3.94124254 1.69849522 0.47148097 1.71932896 -8.21482045 -11.06071304 -24.06645943 1.187E-9 2.653E-9 5.9329999999E-9 1.327E-8 2.9669999999E-8 6.633E-8 1.4829999999E-7 3.317E-7 7.416E-7 0.0000016579999999 0.000003708 0.000008292 0.00001854 0.00004146 0.000092709999999 131-54-4 8570 144207741 A A 2,2'-Dihydroxy-4,4'-dimethoxybenzophenone O=C(c1ccc(cc1O)OC)c2ccc(OC)cc2O Tox21_200543 -NCGC00258220-01 196715596 tox21-ror-cho-viability-p1 set2 4 -0.72253509 -1.36390268 -3.55507459 1.16348905 -9.09909883 3.41432933 -4.6760816 -5.84691531 -2.60998051 1.14714458 -1.64778069 -4.1158021 0.11017878 -1.00576769 -6.78347784 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3069999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.000008269 0.000018489999999 0.00004134 0.00009245 553-53-7 11112 144207864 A A Nicotinic acid hydrazide O=C(NN)c1cccnc1 Tox21_200666 -NCGC00257671-01 196716002 tox21-ror-cho-viability-p1 set2 -2.4 53.8737756516 -33.732691364 1 -32.732691364 1.752947691 0.9810430842 3.51E-8 2.39732506 0.57427027 -0.52738077 1.20762191 2.05911641 1.20154266 2.04329361 1.57469688 0.15560586 1.03447459 1.65380758 -0.07687488 -5.23692186 -11.08914269 -23.94390947 1.1689999999E-9 2.615E-9 5.8469999999E-9 1.3069999999E-8 2.9229999999E-8 6.537E-8 1.462E-7 3.268E-7 7.308E-7 0.0000016339999999 0.0000036539999999 0.0000081709999999 0.00001827 0.00004086 0.000091349999999 2198-59-6 75146 144207315 A D N-Phenyl-1,4-benzenediamine hydrochloride Cl.Nc2ccc(Nc1ccccc1)cc2 Tox21_200117 -NCGC00258763-01 196716011 tox21-ror-cho-viability-p1 set2 -2.2 30.3887708356 -54.9638863086 -1.132768629 -56.0966549376 1.92824246 0.9313458822 0.0000463568 -5.58913908 1.31696992 2.89367073 -0.81845595 2.42584562 -6.98886948 -5.15178295 1.56352141 2.71956419 1.68212816 -1.38807242 -7.5486117 -20.42823839 -29.97646777 -58.43401556 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.551E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.000003662 0.0000081889999999 0.00001831 0.00004095 0.00009156 533-31-3 68289 144208409 A A Sesamol Oc1ccc2OCOc2c1 Tox21_201211 -NCGC00258289-01 196716407 tox21-ror-cho-viability-p1 set2 4 2.28733123 2.53941733 -0.7992555 2.8949828 1.56525865 -0.259596 2.81613902 0.74582803 -0.53134802 -0.05704309 1.76813866 0.13687865 -0.34102585 0.84597265 3.34422095 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.679E-8 1.493E-7 3.3389999999E-7 7.467E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004174 0.00009334 304680-35-1 2734175 144207933 A A 1-Hexyl-3-methylimidazolium hexafluorophosphate F[P-](F)(F)(F)(F)F.C[n+]1ccn(CCCCCC)c1 Tox21_200735 -NCGC00256100-01 196728339 tox21-ror-cho-viability-p1 set3 4 -22.83978685 -1.6156072 -0.24613352 0.19404307 0.59779247 0.51911303 5.76020639 4.44817279 3.34129166 1.98261587 3.49269321 -1.34138283 0.29835551 0.09774237 0.13421013 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2358-84-1 16891 144212051 A A Di(ethylene glycol) dimethacrylate O=C(OCCOCCOC(=O)C(=C)C)C(=C)C Tox21_301734 -NCGC00159417-06 196728737 tox21-ror-cho-viability-p1 set3 -2.1 49.6956931991 -132.749490632 -2.5232059509 -135.2726965829 2.4063783767 0.9419520851 0.0000188953 3.6821825 -1.66864442 -8.87192224 -6.63425723 -1.08146546 -8.85225155 16.18249545 -11.43862256 -5.73395462 -6.56857939 -9.84869164 5.11962367 -9.29459402 -61.18777927 -109.9778021 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00256067-01 196728756 tox21-ror-cho-viability-p1 set3 4 0 -3.45794431 -3.45594077 -9.06669751 -5.37960239 8.15657133 3.85748176 -10.32140024 -7.91015958 6.78090475 -7.43893276 -11.62044085 -10.61739915 5.80038778 -11.34591382 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 34562-31-7 118703 144211656 D 3,5-Diethyl-1-phenyl-2-propyl-1,2-dihydropyridine CCC2=CN(c1ccccc1)C(CCC)C(=C2)CC Tox21_301339 -NCGC00254505-01 196720733 tox21-ror-cho-viability-p1 set3 4 2.4336516212 10.407090112 0.092909888 10.5 4.9549173134 0.4840848286 0.2096543222 7.57395977 9.96437078 -2.2670738 3.69644996 -1.89935613 -0.60440696 -0.43313206 -6.0461017 -6.58924176 -2.76787682 13.21342008 10.81937788 10.09353889 7.19214875 0.67463628 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-04-2 667493 144210815 A A 6-Methyl-2-thiouracil O=C1C=C(C)NC(=S)N1 Tox21_300497 -NCGC00258941-01 196721506 tox21-ror-cho-viability-p1 set3 -3 77.2719803999 -49.3982926249 -4.396341667 -53.7946342919 4.9549173134 0.7999127435 0.0079601698 -7.71229332 -5.98490333 -0.11822217 -18.04406893 -0.39391175 -4.17486775 -5.43047919 -4.52101473 -5.5475287 -4.15721445 -7.04685101 -5.2413486 -1.90678846 1.26926247 -42.6941542 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.96E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 305-03-3 2708 144208588 A Fc Chlorambucil O=C(O)CCCc1ccc(cc1)N(CCCl)CCCl Tox21_201390 -NCGC00259163-01 196721507 tox21-ror-cho-viability-p1 set3 4 0.0053707911 9.5747782319 -11.0747782319 -1.5 2.3331733767 0.4444329429 0.2472429197 -11.72898186 -8.27811522 -7.05467204 -0.78600622 -2.92596497 2.46769832 1.40525648 1.74080169 1.02059033 -9.7577108 -5.75714685 1.72844338 1.72285703 -6.18068624 -9.06361819 1.166E-9 2.606E-9 5.8279999999E-9 1.303E-8 2.9139999999E-8 6.516E-8 1.457E-7 3.2579999999E-7 7.285E-7 0.000001629 0.0000036419999999 0.0000081449999999 0.00001821 0.000040719999999 0.00009106 151-21-3 3423265 144208812 A A Sodium dodecyl sulfate [Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC Tox21_201614 -NCGC00259341-01 196721511 tox21-ror-cho-viability-p1 set3 4 27.1394921295 -15.3153945439 -4.837020356 -20.1524148999 1.0999999999 0.8325143006 0.0037584674 -8.15828772 -6.54542598 -6.08229508 -2.36418363 -3.37138452 -4.52587594 -5.790888 -5.3731968 -6.82256024 -3.72856149 -5.70495349 -6.74715482 -13.11357313 -12.97890959 -17.21034575 1.1739999999E-9 2.626E-9 5.871E-9 1.3129999999E-8 2.9349999999E-8 6.564E-8 1.468E-7 3.282E-7 7.339E-7 0.000001641 0.000003669 0.000008205 0.00001835 0.00004102 0.00009173 57-83-0 5994 144208990 A A Progesterone CC(=O)[C@H]2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_201792 -NCGC00254421-01 196720327 tox21-ror-cho-viability-p1 set3 4 -2.88353969 0.50472236 12.14583433 8.19669547 -3.41213318 7.19458273 4.01434061 7.99300845 5.82740915 7.58267176 8.02021524 1.35799813 2.9945393 3.6461907 2.02404742 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47292 10198808 144210774 A A PD 0200347 Cl.NCC1(CCCCC1)CC=2NC(=O)ON=2 Tox21_300456 -NCGC00091261-03 196720722 tox21-ror-cho-viability-p1 set3 4 60.5094261282 -27.994851556 3 -24.994851556 2.9022712143 0.7124804926 0.0328030664 12.81662268 -2.59167578 0.78681345 1.09753898 5.76371011 5.34415686 4.03331253 6.05687872 2.28210865 1.28782936 -1.58736625 4.51249701 0.82705094 -3.15769421 -18.74570963 1.1699999999E-9 2.6159999999E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.539E-8 1.462E-7 3.269E-7 7.311E-7 0.000001635 0.0000036549999999 0.000008173 0.00001828 0.000040869999999 0.00009138 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00254453-01 196720731 tox21-ror-cho-viability-p1 set3 4 8.69015018 11.01539886 10.87480137 -4.92441766 15.2654089 7.84753599 -2.28659447 9.911319 5.90827774 -4.67955325 -2.3223907 -0.51930568 -4.24315202 8.33777452 6.98562955 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-60-6 10698 144210666 A A 2,4,6-Trimethylphenol Cc1cc(C)c(O)c(C)c1 Tox21_300348 -NCGC00259378-01 196721128 tox21-ror-cho-viability-p1 set3 4 24.1386586932 8.830677704 -5.330677704 3.5 3.5117481694 0.4983943726 0.1811062069 -11.94223142 -3.40483703 -5.44592449 -7.02625686 -7.29703333 -4.16826597 -3.80905884 -3.88925745 -3.64320072 0.73212558 -8.78591224 -3.212891 -3.17996045 2.77286656 3.16181184 1.172E-9 2.6199999999E-9 5.858E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.275E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.00001831 0.000040929999999 0.00009153 123-33-1 21954 144209027 A A Maleic hydrazide O=C1C=CC(=O)NN1 Tox21_201829 -NCGC00259921-01 196721132 tox21-ror-cho-viability-p1 set3 4 -6.3411089 -4.0543321 0.45721902 7.85751595 -3.53883969 -8.69006564 -6.51059597 -6.52513567 -7.29915818 -4.19846677 -6.96120777 -6.78446911 -5.07727767 0.85088063 -1.43271519 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 838-88-0 13283 144209570 A A 4,4'-Methylenebis(2-methylaniline) Cc2cc(Cc1ccc(N)c(C)c1)ccc2N Tox21_202372 -NCGC00259162-01 196721141 tox21-ror-cho-viability-p1 set3 4 5.13877207 4.19558164 0.96312335 -6.81736591 4.07302768 3.73247408 4.12373045 1.44872657 0.82834508 2.29764596 0.07560729 4.3901685 4.25931201 7.83334673 3.22223403 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.476E-7 3.3009999999E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008253 0.00001846 0.00004127 0.000092279999999 99-54-7 7443 144208811 A Ac 3,4-Dichloronitrobenzene Clc1ccc(cc1Cl)[N+]([O-])=O Tox21_201613 -NCGC00259187-01 196721150 tox21-ror-cho-viability-p1 set3 4 -0.0710459 -0.28706102 -3.07544164 -2.46529773 3.66354237 -0.10493178 -1.88716759 2.79647254 -0.98584352 1.79690675 0.16802655 0.52658383 0.2829534 4.17456126 -3.92582053 1.1529999999E-9 2.579E-9 5.766E-9 1.289E-8 2.883E-8 6.447E-8 1.4419999999E-7 3.2229999999E-7 7.2079999999E-7 0.000001612 0.000003604 0.0000080589999999 0.00001802 0.000040289999999 0.0000901 85-01-8 995 144208836 A A Phenanthrene c2cc3ccc1ccccc1c3cc2 Tox21_201638 -NCGC00015060-14 196721534 tox21-ror-cho-viability-p1 set3 4 -3.64692702 -8.23178273 0.77172456 -0.78075467 -1.49902993 -1.62498676 -1.59680247 -3.45603153 -4.14418522 -1.47511428 -6.5252352 -2.58477589 -7.52190058 -0.48880426 3.27430765 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00253579-01 196716814 tox21-ror-cho-viability-p1 set2 4 5.3080386368 -17.4555292999 3 -14.4555292999 0.7999999999 0.7970909902 0.0084889936 3.30494271 -0.06661269 3.28062169 4.33531502 3.24405148 1.2226772 5.21199136 5.83676898 -3.51157529 -0.25073454 -2.77542415 -3.78863974 -4.86893701 -15.37960775 -9.76545563 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1986-53-4 16141 170465909 F A Bolandiol dipropionate CCC(=O)O[C@H]2CCC3C4CCC1(C)C(CC[C@@H]1OC(=O)CC)C4CCC3=C2 Tox21_113721 -NCGC00274084-01 196716817 tox21-ror-cho-viability-p1 set2 4 1.9137124 1.10099257 1.21054639 2.47937978 6.41255753 3.26626245 7.62397127 6.0564383 -0.29146747 0.28198222 -0.28204612 1.01021683 -0.25714184 0.09324941 0.84881215 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 443-79-8 791 170465505 Z DL-Isoleucine CC(CC)C(N)C(=O)O Tox21_112765_1 -NCGC00181301-01 196716798 tox21-ror-cho-viability-p1 set2 4 0.0298492948 5.4617518359 -3.9617518359 1.5 4.9549173134 0.4853754533 0.1937156588 0.97201192 0.71175318 -7.19541845 -7.46812653 -5.71225097 0.02211371 1.34251359 0.3310837 1.90663922 1.55437543 3.70761308 1.90268761 0.09011493 0.59316104 -0.06253011 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77-90-7 6505 144206330 A A Acetyl tributyl citrate CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC Tox21_112777 -NCGC00182851-02 196716809 tox21-ror-cho-viability-p1 set2 4 3.99301596 0.1631501 -0.06267433 2.42257394 4.26207292 1.78693077 2.85022433 4.34563401 3.61630211 7.40209999 2.48633211 3.30391327 4.70701267 1.91856556 2.85839478 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1247-42-3 5284587 170465165 F Meprednisone OCC(=O)[C@@]3(O)[C@@H](C)C[C@H]2[C@@H]4CCC1=CC(=O)C=C[C@]1(C)[C@H]4C(=O)C[C@@]23C Tox21_113612_1 -NCGC00066947-05 196717224 tox21-ror-cho-viability-p1 set2 4 1.74223636 -2.54774674 -0.00631786 -1.70786257 -5.04387878 -4.86676124 -4.25437353 -4.12029327 -0.01247654 -0.89856279 1.10103627 -5.28741298 -3.27854597 -0.55045934 -5.85015867 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00016257-10 196717227 tox21-ror-cho-viability-p1 set2 4 2.27195787 0.64783206 2.77131427 2.48369192 5.7956579 5.9203492 4.64401732 7.3417476 5.47885004 -0.71659704 2.23168501 4.50772449 3.34697629 -0.48003336 2.27931143 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-15-1 6009 170465863 F 4-Dimethylaminoantipyrine CN(C)C=2C(=O)N(c1ccccc1)N(C)C=2C Tox21_110333_1 -NCGC00015462-14 196717228 tox21-ror-cho-viability-p1 set2 4 0.2984929481 11.262774032 -9.262774032 2 0.7 0.7710077484 0.0139460507 -8.16277461 -6.06998729 -10.07105641 -13.96897836 -5.68762236 -6.53838787 -3.79076575 -8.26462089 -1.58068344 -1.05405544 -0.07413194 -1.26607306 0.0765799 1.9111579 2.51181425 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 29094-61-9 3478 170465089 A Glipizide Cc1cnc(cn1)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3 Tox21_110156_1 -NCGC00159384-04 196717628 tox21-ror-cho-viability-p1 set2 4 3.9947219 -0.85226342 1.85053983 2.77464851 2.91403705 1.60587496 3.41025733 1.54805364 0.45314811 1.90729114 0.287526 1.67525785 -0.67333943 -1.06506856 0.22603207 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 89-68-9 6982 170465546 Ac 6-Chlorothymol Oc1cc(C)c(Cl)cc1C(C)C Tox21_111622_1 -NCGC00253624-01 196717636 tox21-ror-cho-viability-p1 set2 4 13.3331902297 -12.9885807639 -1.5 -14.4885807639 2.2481167061 0.7031643979 0.0369973399 -7.73173137 -0.76283545 -3.61363736 -3.96124014 -2.52194625 -2.82641709 0.18326978 0.43031285 2.43813535 1.35566393 0.08810736 -2.42869728 -6.08168606 -10.63439899 -13.74048397 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 88426-33-9 71768 170466326 A A Buparvaquone CC(C)(C)C3CCC(CC2=C(O)C(=O)c1ccccc1C2=O)CC3 Tox21_113753 -NCGC00095836-05 196717638 tox21-ror-cho-viability-p1 set2 4 -0.65587658 0.62762278 -0.96925045 0.93559871 5.20981629 4.88521085 -0.51538557 4.64564857 -1.43516672 -0.96592357 -1.08273344 -1.19991127 -1.4580837 -1.06992822 0.57304547 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 489-84-9 3515 170465862 F Guaiazulene CC(C)c1ccc(C)c2ccc(C)c2c1 Tox21_111526_1 -NCGC00166124-03 196718049 tox21-ror-cho-viability-p1 set2 4 0.65613569 0.74137871 3.46993559 4.17003403 6.34255314 3.35317713 8.57263412 5.74693944 4.11192415 3.71607772 3.82126506 4.63658924 1.75223478 -0.07306362 1.21601327 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103-41-3 7652 170465584 F Benzyl cinnamate O=C(OCc1ccccc1)C=Cc2ccccc2 Tox21_112329_1 -NCGC00257159-01 196718458 tox21-ror-cho-viability-p1 set2 4 19.3311819617 -17.799293008 3 -14.799293008 2.8472712143 0.7593886965 0.0222069571 1.38302046 1.78511473 0.95092345 -3.1413304 1.42939257 5.84475979 1.44327954 6.09864419 4.76315341 5.59998079 5.04263928 0.97228749 -5.22163476 -12.74941084 17.35486866 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 144-80-9 5320 144213417 A A Sulfacetamide Nc1ccc(cc1)S(=O)(=O)NC(C)=O Tox21_303100 -NCGC00257416-01 196718459 tox21-ror-cho-viability-p1 set2 4 1.48828059 1.75156112 -0.49570814 5.18786522 0.802614 6.61868863 3.88030644 8.98813287 3.75037737 5.5593662 10.2490618 1.584536 1.84659066 2.47835671 2.70778565 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-62-3 31218 144213749 A Fns Bis(2-ethylhexyl) decanedioate O=C(CCCCCCCCC(=O)OCC(CC)CCCC)OCC(CCCC)CC Tox21_303439 -NCGC00160558-02 196722520 tox21-ror-cho-viability-p1 set3 4 33.4914596268 13.316882128 -3.316882128 10 4.9549173134 0.5011666027 0.1786871224 -4.19945289 2.72557344 -2.4080835 -1.90137443 -3.88812154 -2.57408276 -2.37654785 -4.78332474 0.03230255 -2.25690332 -2.57097324 -4.21477991 -10.26406844 -4.38477212 8.04478098 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 36141-82-9 37384 170466181 A Diamfenetide CC(=O)Nc1ccc(cc1)OCCOCCOc2ccc(cc2)NC(C)=O Tox21_111898_1 -NCGC00259503-01 196722110 tox21-ror-cho-viability-p1 set3 4 0.97057797 -16.41898381 -12.04512432 -1.87978615 2.45010666 0.50669472 0.15104597 -7.21609852 1.98776635 -7.66693384 0.12622377 -10.84080363 -9.44075178 -5.62654222 -2.61201573 1.188E-9 2.657E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.641E-8 1.4849999999E-7 3.321E-7 7.425E-7 0.0000016599999999 0.000003713 0.000008302 0.00001856 0.000041509999999 0.00009282 693-23-2 12736 144209152 A A Dodecanedioic acid O=C(O)CCCCCCCCCCC(=O)O Tox21_201954 -NCGC00259051-01 196722113 tox21-ror-cho-viability-p1 set3 4 -9.71355554 -5.95291622 -4.41076822 2.76397119 -6.51075223 -10.29381957 -8.07934158 -9.27614763 -7.97198067 -6.42194211 -1.20588564 -6.96473942 -10.4764106 -2.66765162 -5.81256984 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004128 0.00009231 54827-17-7 41206 144208698 A A 3,3',5,5'-Tetramethylbenzidine Cc1cc(cc(C)c1N)c2cc(C)c(N)c(C)c2 Tox21_201500 -NCGC00259940-01 196722121 tox21-ror-cho-viability-p1 set3 4 35.2871650988 13.9687154279 -4.9687154279 9 4.9549173134 0.6499198506 0.0643626312 -6.97103873 -2.83814914 -1.77550471 4.85101635 -5.98095593 -7.89059619 -7.34130891 -7.30805975 -6.53489352 -3.63196745 -6.58820993 -6.81515706 -5.49396939 5.68951058 9.34715784 1.206E-9 2.6979999999E-9 6.032E-9 1.349E-8 3.016E-8 6.744E-8 1.5079999999E-7 3.372E-7 7.54E-7 0.0000016859999999 0.00000377 0.0000084299999999 0.00001885 0.000042149999999 0.00009425 99-75-2 7455 144209589 A A Methyl 4-methylbenzoate COC(=O)c1ccc(C)cc1 Tox21_202391 -NCGC00091219-08 196722521 tox21-ror-cho-viability-p1 set3 4 33.4914596268 33.274114636 2.725885364 36 2.7202212143 0.8104963427 0.29896632 -0.97201918 0.01666487 1.4566558 -1.89509553 7.62365203 1.65514672 0.09505607 2.08086734 -28.0614582 5.41001464 7.90814963 3.95527687 7.0703109 6.9035485 27.66652681 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 134-62-3 4284 170466080 A DEET Cc1cccc(c1)C(=O)N(CC)CC Tox21_111103_1 -NCGC00168265-02 196722524 tox21-ror-cho-viability-p1 set3 4 1.1304665336 19.6078544649 -31.0968795889 -11.489025124 0.7999999999 0.4715781946 0.53306782 -36.03222973 -24.33762599 -19.19494189 -37.34988195 0 -37.19681213 -22.00868188 -29.49617597 -6.24085427 -16.57559706 -17.77375383 -13.87744939 -15.92600438 -19.51260902 -12.10357728 2.8909999999E-9 6.464E-9 1.4449999999E-8 3.232E-8 7.227E-8 1.616E-7 3.614E-7 8.08E-7 0.0000018069999999 0.0000040399999999 0.000009034 0.0000202 0.00004517 0.000101 0.0002259 50-37-3 5761 144206425 A A Lysergide CCN(CC)C(=O)[C@@H]2C=C1c3cccc4ncc(C[C@H]1N(C)C2)c34 Tox21_112872 -NCGC00016261-08 196722926 tox21-ror-cho-viability-p1 set3 4 0.1333319023 18.1466211559 -9.1466211559 9 1.3437170999 0.536615153 0.1462390566 4.31100298 -10.75929525 -0.21696982 -22.05253888 -23.45551763 -0.5526023 0 0 0.74310821 10.98003016 10.81325265 5.41417266 4.93580551 9.71897506 13.38415942 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 65-23-6 1054 170464634 Z Pyridoxine Oc1c(CO)c(cnc1C)CO Tox21_113644_1 -NCGC00263571-01 196722948 tox21-ror-cho-viability-p1 set3 4 37.5780357627 9.45363428 -0.45363428 9 4.9549173134 0.3907767098 0.2834598018 5.28696776 -1.54214842 0.1102011 -1.53482631 -0.90926402 -2.82776189 -1.1188734 -0.23822556 -4.9613619 -0.91932314 3.4613256 -2.61139665 1.18989495 -3.15960563 7.71467212 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23255-99-4 23662369 170465952 A Bendazac sodium [Na+].[O-]C(=O)COc3nn(Cc1ccccc1)c2ccccc23 Tox21_112465_1 -NCGC00091532-04 196723349 tox21-ror-cho-viability-p1 set3 -2.2 61.8773215692 -60.5657979013 0.4448169109 -60.1209809904 2.5884283767 0.9459836188 0.000012825 -1.2591884 4.04836758 1.37272978 -0.32106656 2.40162431 -4.77243002 -1.45022922 -0.75669969 5.00563317 -0.53790733 3.85905052 -0.39687653 -7.3727596 -14.10672913 -45.54619772 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00166323-02 196723366 tox21-ror-cho-viability-p1 set3 4 2.1131682429 -13.019884104 -1.467290536 -14.48717464 0.6 0.6976977384 0.0485292564 -0.5417886 -6.50486594 -0.80487156 -0.38940878 -1.50221989 -2.15054575 -3.5065192 -2.53124691 -3.74136692 -11.34689707 -5.83528438 -6.68696661 -12.4893122 -11.65805386 -0.01825613 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 70-00-8 6256 170464911 A Trifluridine FC(F)(F)C1=CN(C(=O)NC1=O)[C@H]2C[C@H](O)[C@@H](CO)O2 Tox21_112411_1 -NCGC00260475-01 196723761 tox21-ror-cho-viability-p1 set3 4 -4.28129599 0.50277338 -0.77259084 -5.26040723 -4.15333685 -13.68481912 4.32062443 -4.13694264 -3.62158637 -5.34563256 1.19001525 -1.10848066 -0.92736785 -1.32511788 -6.56274222 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.299E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.00001844 0.00004124 0.00009222 552-89-6 11101 144210127 A A 2-Nitrobenzaldehyde O=[N+]([O-])c1ccccc1C=O Tox21_202929 -NCGC00357282-01 196723759 tox21-ror-cho-viability-p1 set3 4 11.29026635 5.92353524 5.47188802 16.11053248 7.170981 -3.18108201 1.5836214 0.93793364 5.70022969 2.74861155 -0.23914747 0.97357626 4.84209159 3.31944728 7.79668543 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76014-81-8 104856 251919641 F 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol OC(CCCN(C)N=O)c1cccnc1 Tox21_303708 -NCGC00259561-01 196722302 tox21-ror-cho-viability-p1 set3 4 21.2935147908 10.497950992 -4.997950992 5.5 4.9549173134 0.7537884303 0.0185899019 -4.53608787 -3.39194494 -2.22681395 -1.20026165 -4.20530346 -7.91495916 -6.03741428 -6.04523371 -6.19089434 -3.67589269 -5.90088787 -5.81934506 -2.52346986 8.48783813 2.86153471 1.162E-9 2.598E-9 5.808E-9 1.299E-8 2.9039999999E-8 6.494E-8 1.4519999999E-7 3.247E-7 7.2599999999E-7 0.000001623 0.0000036299999999 0.000008117 0.000018149999999 0.00004059 0.00009076 109-60-4 7997 144209210 FNS Propyl acetate CC(=O)OCCC Tox21_202012 -NCGC00016000-13 196721524 tox21-ror-cho-viability-p1 set3 -2.1 1.2482993745 -66.1981071982 -0.3267903199 -66.5248975181 0.3 0.6922499418 0.0415110099 -11.71631336 -11.25670488 -7.3556586 -9.12660779 -16.02886453 -14.96691697 -21.70954744 -36.2721015 -33.39935979 -45.77634912 -39.47525461 -35.91959342 -39.65426744 -26.64859321 -75.51460541 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00259923-01 196721918 tox21-ror-cho-viability-p1 set3 -2.4 76.9588215421 -29.0168750399 -3.5 -32.5168750399 4.9549173134 0.7915478026 0.0094831784 -6.07844809 -4.02459059 3.2628464 -0.35286863 -5.44060376 -5.84490637 -6.11809533 -3.97907561 -5.68758326 -2.89199013 -6.68604399 -4.40409031 -2.36193157 -0.80117504 -25.4307292 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.00001844 0.000041219999999 0.00009218 732-26-3 12902 144209572 A F 2,4,6-Tris(tert-butyl)phenol CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(C)(C)C Tox21_202374 -NCGC00258861-01 196721920 tox21-ror-cho-viability-p1 set3 4 34.9363408139 12.1827553 -9.1827553 3 2.5884283767 0.42673061 0.2466603551 -14.23957037 -11.60854291 -11.38372967 -0.0359986 -7.86910441 -11.18635971 -14.31896275 -12.58998897 -6.49180283 -1.0987893 -7.38239293 -11.01857396 -5.3800971 -2.94709981 4.48398654 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.000001671 0.0000037379999999 0.000008357 0.00001869 0.00004179 0.00009344 556-52-5 11164 144208507 A A Glycidol OCC1CO1 Tox21_201309 -NCGC00015045-09 196722305 tox21-ror-cho-viability-p1 set3 4 5.95265532 2.09556869 -1.83760337 4.41096962 -2.22433307 4.17368721 11.85594339 5.44535986 9.78323383 4.41536552 8.28835237 0.16141612 3.92139303 4.90818791 0.70688579 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62-51-1 6114 170464971 Z Methacholine chloride [Cl-].C[N+](C)(C)CC(C)OC(=O)C Tox21_110348_1 -NCGC00167488-08 196722314 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -50.5839229516 -2.55977585 -53.1436988016 1.6266150999 0.8383919644 0.003155803 -1.47362804 -1.78895406 -1.43801754 -1.38436278 -0.98921921 -0.5624187 0.33738062 -2.05125629 -1.08140313 -6.15078832 -4.31394394 -9.74933763 -13.04846203 -7.92075666 -40.26037788 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 475207-59-1 406563 170465175 A Sorafenib O=C(NC)c3cc(Oc2ccc(NC(=O)Nc1cc(c(Cl)cc1)C(F)(F)F)cc2)ccn3.O=S(=O)(O)c1ccc(C)cc1 Tox21_112489_1 -NCGC00021147-11 196722726 tox21-ror-cho-viability-p1 set3 4 0.3739137583 17.6436524 19.77364555 23.33055169 9.83769816 8.18516312 11.8521738 11.88098568 14.48812515 18.83474387 16.55349035 15.78176814 8.18250144 14.72774942 19.65197968 30.05420497 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 562-10-7 11224 170465171 A Doxylamine succinate O=C(O)CCC(=O)O.CN(C)CCOC(C)(c1ccccn1)c2ccccc2 Tox21_113515_1 -NCGC00094815-05 196722742 tox21-ror-cho-viability-p1 set3 4 33.4914596268 -18.3469009879 0.5 -17.8469009879 4.9549173134 0.5660854297 0.1229226109 1.85755405 -0.22691116 2.00253795 0.45742328 0 -9.88032694 0 0 4.62955612 4.49179745 3.8093139 -2.29273681 0.26933515 0.04219003 -14.87241749 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 521-74-4 2453 170466167 A Broxyquinoline Oc1c(Br)cc(Br)c2cccnc12 Tox21_111338_1 -NCGC00160387-04 196723137 tox21-ror-cho-viability-p1 set3 4 0.5550309557 -6.86824975 -1.24568462 -22.23190234 -23.69582243 -2.71710721 -0.84555565 -1.34032723 -30.35024162 -1.42334435 -2.94040514 1.2850137 0.25633042 -6.44542961 -3.23751908 0.9397678 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2058-52-8 16351 170465938 A Clothiapine CN1CCN(CC1)C3=Nc4ccccc4Sc2ccc(Cl)cc23 Tox21_111779_1 -NCGC00259192-01 196721936 tox21-ror-cho-viability-p1 set3 4 0.0121847484 7.6341001199 -5.6341001199 2 2.2526478767 0.487289752 0.1909501749 0.20274581 -12.6117501 -2.95307719 -1.68598224 2.12556448 -1.53681978 3.02696638 -0.0896436 4.59701773 0.88220122 -0.34814828 3.53489123 3.53679696 4.59039286 1.20464421 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.593E-8 1.474E-7 3.297E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009214 17689-77-9 87244 144208841 A A Ethyltriacetoxysilane O=C(C)O[Si](OC(C)=O)(OC(=O)C)CC Tox21_201643 -NCGC00259365-01 196721541 tox21-ror-cho-viability-p1 set3 4 -5.02135277 -5.59282744 -3.71921576 1.10085067 -4.22274084 -5.01600486 -3.4191989 -7.30670303 -6.96512385 -3.80598797 -6.94841428 -7.022335 -3.87646711 -0.91184265 -0.80233886 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.33E-7 7.446E-7 0.000001665 0.0000037229999999 0.000008324 0.00001861 0.00004162 0.000093069999999 1083-57-4 14130 144209014 A A 3-Hydroxy-4-butyrophenetidide CCOc1ccc(cc1)NC(=O)CC(C)O Tox21_201816 -NCGC00091468-02 196721546 tox21-ror-cho-viability-p1 set3 4 -3.34737336 -2.92227684 3.76562223 -12.46457114 1.79219609 -0.89732776 -7.29189556 -2.22576737 -5.63246756 4.01341641 -5.18902306 -1.23055022 -3.0122646 6.32040063 3.0406889 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00258872-01 196720968 tox21-ror-cho-viability-p1 set3 4 0.0010024493 28.021722308 -27.021722308 1 0.2 0.3076834123 0.3601968562 -19.18476859 -11.69286535 -5.6601499 -0.37670719 -9.75429719 -7.50706173 -14.83610526 2.64455569 -10.36222476 -9.54384451 -6.72084697 3.96414207 -5.61975833 -2.23250139 2.13031144 1.214E-9 2.7139999999E-9 6.0679999999E-9 1.357E-8 3.034E-8 6.7839999999E-8 1.517E-7 3.3919999999E-7 7.5849999999E-7 0.000001696 0.0000037919999999 0.00000848 0.00001896 0.000042399999999 0.00009481 112-50-5 8190 144208518 A A 2-[2-(2-Ethoxyethoxy)ethoxy]ethanol OCCOCCOCCOCC Tox21_201320 -NCGC00254958-01 196720551 tox21-ror-cho-viability-p1 set3 4 0.0544826733 6.489198492 -5.989198492 0.5 4.9549173134 0.4717914536 0.2049446113 -0.24402254 -0.26009194 -8.29637452 -12.90766541 -8.75315965 -0.81443313 0.45053905 -2.08941097 -1.98405678 -0.83093744 2.63392737 2.190076 0.64529284 0.84907451 2.06900615 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-60-6 61005 144211373 Z Z Phenoxyethyl isobutyrate CC(C)C(=O)OCCOc1ccccc1 Tox21_301056 -NCGC00254547-01 196720552 tox21-ror-cho-viability-p1 set3 4 6.49377454 1.18139476 7.24495377 5.92336777 2.90787222 9.84547137 9.97226896 8.23197044 17.56010102 7.07422176 22.79656027 15.70351266 10.65946918 -3.96520525 -2.1281304 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67-20-9 4509 144210919 A Fc Nitrofurantoin O=[N+]([O-])c2ccc(/C=N/N1CC(=O)NC1=O)o2 Tox21_300602 -NCGC00254748-01 196720559 tox21-ror-cho-viability-p1 set3 -1.1 30.6378586933 -96.8421968899 0.5330962112 -96.3091006787 4.9549173134 0.9526263257 0.0000062464 -4.08321329 -2.01446528 12.19855531 6.3823213 -4.04075713 2.07408791 -2.17367835 -2.31980803 -6.91098008 -4.12391421 -3.10979863 2.12560589 7.90366357 -91.91583272 -94.42068694 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 300-76-5 4420 144211162 F Naled COP(=O)(OC)OC(Br)C(Cl)(Br)Cl Tox21_300845 -NCGC00259620-01 196720971 tox21-ror-cho-viability-p1 set3 -2.4 95.6059733417 -27.719985284 -3.5 -31.219985284 0.9999999999 0.7072382199 0.0351161071 -4.15531729 -2.89261405 -5.70578864 2.23975767 -5.01249984 -7.66282447 -3.5209261 -2.43404766 -3.31890164 -3.27678778 -5.29202617 -5.44093687 -5.60103442 -7.53472834 -22.68332107 1.167E-9 2.61E-9 5.836E-9 1.305E-8 2.918E-8 6.525E-8 1.459E-7 3.262E-7 7.295E-7 0.000001631 0.000003648 0.000008156 0.000018239999999 0.00004078 0.00009119 104-76-7 7720 144209269 A A 2-Ethyl-1-hexanol CCC(CCCC)CO Tox21_202071 -NCGC00259105-01 196721373 tox21-ror-cho-viability-p1 set3 4 -2.68835726 -5.52273156 -3.79961735 1.63876427 -2.0813737 -0.92231087 -7.44733687 -2.90445613 -4.09418023 0.46470411 3.02121609 -8.14883781 -0.54234646 3.55109104 1.64389538 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.593E-8 1.474E-7 3.297E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009214 86-29-3 6837 144208754 A A Diphenylacetonitrile N#CC(c1ccccc1)c2ccccc2 Tox21_201556 -NCGC00258937-01 196721755 tox21-ror-cho-viability-p1 set3 4 54.8152787309 12.0634164999 -2.0634164999 10 2.4729283767 0.4966497802 0.1830504371 -5.46951375 -2.87276447 0.98403887 5.23624199 -3.56770376 -5.40326661 -1.71708502 -3.71002724 -2.20367718 -1.8753331 -3.79932031 -3.56606002 -0.48673305 1.72043937 7.34049303 1.1859999999E-9 2.651E-9 5.929E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008286 0.00001853 0.000041429999999 0.00009264 2016-88-8 16230 144208584 A A Amiloride hydrochloride Cl.Clc1nc(C(=O)NC(=N)N)c(N)nc1N Tox21_201386 -NCGC00256753-01 196718885 tox21-ror-cho-viability-p1 set2 4 1.23518451 -0.21302724 2.39001516 -0.37239763 -2.45778254 -16.65008663 -4.02166512 -2.02333774 -14.53599742 -2.75541858 -0.10798075 4.89359519 1.38116935 2.66842297 2.49361233 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-35-3 6532 144213038 A Ac Linalyl isobutyrate O=C(OC(C)(CC\C=C(\C)C)C=C)C(C)C Tox21_302721 -NCGC00257011-01 196718467 tox21-ror-cho-viability-p1 set2 4 -1.70795236 -4.42063822 0.55044243 1.18898713 -2.00724535 -2.96553123 -2.66653057 -2.8255333 -3.9707048 -1.68163676 -2.55229589 1.49977232 -0.63693973 -2.96968579 -1.17719196 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 4553-62-2 20686 144213491 A A 2-Methylpentanedinitrile CC(CCC#N)C#N Tox21_303174 -NCGC00256464-01 196718468 tox21-ror-cho-viability-p1 set2 4 0.1722893406 -4.6609420559 3.5 -1.1609420559 3.5117481694 0.3475155973 0.3239546091 2.86688968 3.55034324 1.75043317 6.39000641 2.18426931 5.7474659 1.21323141 -0.23321467 -4.29399258 1.960713 -5.57058318 -2.936617 4.70053867 4.03390476 -6.38411838 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 305-03-3 2708 144213313 A Fns Chlorambucil O=C(O)CCCc1ccc(cc1)N(CCCl)CCCl Tox21_302996 -NCGC00257155-01 196718874 tox21-ror-cho-viability-p1 set2 4 0.04901003 -0.65567794 -0.09641565 -1.31740229 -2.00951642 -0.95269751 -3.62592363 -0.89541356 -0.02162257 0.84093772 -0.03132222 0.15838487 -0.44916914 0.42865207 3.70376364 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-65-2 7153 144213652 Ac Ac Mecoprop Clc1cc(C)c(OC(C)C(=O)O)cc1 Tox21_303335 -NCGC00257449-01 196718891 tox21-ror-cho-viability-p1 set2 4 54.4826732819 -18.3977561319 1.5 -16.8977561319 2.5884283767 0.8604969662 0.0016357148 -0.14294608 0.39916284 1.27801238 1.096511 0.17436607 4.65982567 0.18564356 2.42821461 4.10144501 0.02553207 3.91787365 -0.27870067 0.97934938 -4.46427749 -13.24813011 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 132-65-0 3023 144213726 A A Dibenzothiophene c1cccc2sc3ccccc3c12 Tox21_303415 -NCGC00258036-01 196730076 tox21-ror-cho-viability-p1 set3 -2.1 54.4272718766 -82.2932091296 -1.3022581019 -83.5954672315 3.5117481694 0.983688814 1.45E-8 -1.05502583 -0.69486997 -6.42874076 -1.15059724 -7.42569323 -1.25878465 0.98056039 -0.09047169 0.94678842 -0.1684394 -0.80748425 -0.90866597 -1.6522943 -25.17943653 -72.04202063 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 3542-36-7 77080 144207680 A Dichloro(dioctyl)stannane Cl[Sn](Cl)(CCCCCCCC)CCCCCCCC Tox21_200482 -NCGC00257711-01 196729654 tox21-ror-cho-viability-p1 set3 1.1 5.4316497251 79.0384868651 -1.9718847999 77.0666020652 4.9549173134 0.9652313949 0.0000011165 -0.12353888 0.90856646 0.97660532 -0.22044919 -0.42894499 -0.95286904 0.53803203 0.2336121 -0.23679481 -6.86739278 -9.559904 80.43643103 67.90042966 75.8371695 78.2009301 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.000091989999999 738-70-5 5578 144207355 A A Trimethoprim Nc2nc(N)ncc2Cc1cc(OC)c(OC)c(OC)c1 Tox21_200157 -NCGC00258465-01 196730059 tox21-ror-cho-viability-p1 set3 4 2.09413459 -2.2313548 1.88045247 -1.17735912 -3.97115405 2.60645851 1.59866701 -4.52178823 -5.15853716 -0.56997176 -7.18803255 0 7.68082813 -4.3286809 3.10683685 1.163E-9 2.601E-9 5.817E-9 1.301E-8 2.908E-8 6.503E-8 1.454E-7 3.252E-7 7.2709999999E-7 0.0000016259999999 0.0000036349999999 0.000008129 0.00001818 0.00004064 0.00009088 693-07-2 12733 144208109 C 1-Chloro-2-(ethylthio)ethane CCSCCCl Tox21_200911 -NCGC00258350-01 196730067 tox21-ror-cho-viability-p1 set3 4 -5.530195 0.12911875 -0.3301391 0.54400728 -4.40299135 -2.4610953 0.18953098 -0.26440398 -3.78208972 1.84769113 0.07337226 0.83753903 -0.72541392 -0.68154724 4.08709834 1.221E-9 2.7299999999E-9 6.104E-9 1.365E-8 3.052E-8 6.825E-8 1.526E-7 3.412E-7 7.6299999999E-7 0.0000017059999999 0.000003815 0.000008531 0.000019079999999 0.00004265 0.000095379999999 1476-11-5 6432115 144207994 FNS (2Z)-1,4-Dichlorobut-2-ene ClC\C=C/CCl Tox21_200796 -NCGC00257758-01 196730079 tox21-ror-cho-viability-p1 set3 4 0.10074362 -2.13780851 1.58523755 -0.92738591 -0.87656938 1.72922527 -0.73695761 -6.47491089 -1.03851961 2.5410405 -1.67594737 0.10622956 2.21250882 0.00722343 1.07452245 1.1679999999E-9 2.6109999999E-9 5.838E-9 1.305E-8 2.919E-8 6.5269999999E-8 1.4599999999E-7 3.264E-7 7.298E-7 0.0000016319999999 0.0000036489999999 0.000008159 0.000018239999999 0.000040799999999 0.00009122 611-06-3 11899 144207402 A Ac 2,4-Dichloronitrobenzene O=[N+]([O-])c1ccc(Cl)cc1Cl Tox21_200204 -NCGC00163930-04 196730082 tox21-ror-cho-viability-p1 set3 4 1.47996854 1.0973924 -0.07008241 2.31221087 0.38024664 1.05240837 -0.41666843 1.3180185 1.52856074 2.36022096 0.15966969 0.26378599 0.8091818 -1.32619055 2.19927531 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00090698-04 196730479 tox21-ror-cho-viability-p1 set3 4 0.21452279 0.34008806 -0.07404341 0.34729497 0.00914612 -2.1591018 -0.55945198 0.75799283 -0.01911773 2.61589769 0.9996299 2.53277508 -0.29658628 -1.54023327 2.64827349 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00257948-01 196730601 tox21-ror-cho-viability-p1 set3 4 0.41605932 0.25390871 -1.56508668 0.0651998 -2.20482625 -1.04280719 -1.22947795 0.26829669 4.8432628 2.93845264 -0.11247949 4.6798727 4.12342711 5.69023112 -5.03995169 1.245E-9 2.784E-9 6.226E-9 1.392E-8 3.113E-8 6.961E-8 1.557E-7 3.481E-7 7.7829999999E-7 0.0000017399999999 0.000003891 0.000008701 0.00001946 0.000043509999999 0.00009729 31906-04-4 91604 144207592 A A 4-(4-Hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde O=CC1CC=C(CCCC(C)(C)O)CC1 Tox21_200394 -NCGC00258765-01 196730183 tox21-ror-cho-viability-p1 set3 4 -6.24111281 -5.68966609 -0.80638807 -4.01959566 -2.78841258 -3.8645316 -2.86117885 -5.33451122 -2.11290769 -4.48941713 2.02578807 -3.77642716 -1.65250461 -2.63756583 1.71996812 1.2479999999E-9 2.791E-9 6.24E-9 1.395E-8 3.1199999999E-8 6.976E-8 1.56E-7 3.488E-7 7.7999999999E-7 0.000001744 0.0000039 0.00000872 0.0000195 0.0000436 0.0000975 142-82-5 8900 144208411 FNS Heptane CCCCCCC Tox21_201213 -NCGC00164127-03 196730577 tox21-ror-cho-viability-p1 set3 -2.1 61.130564862 -99.8237089448 -0.766340602 -100.5900495468 2.5884283767 0.9735469941 2.37E-7 0.81739975 0.25181513 0.14382155 0.43237613 -0.87743329 0.23776796 0.75143648 1.45882303 -8.5530365 -0.9838231 -0.39919275 0.79092136 -12.77740928 -24.08393645 -76.20458299 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00259300-01 196709418 tox21-ror-cho-viability-p1 set2 4 3.48546993 -0.94629385 5.99668069 1.48283354 0.74962939 0.3741119 0.56314255 -0.05534746 0.66318019 2.25345016 0.05653455 -0.05715628 1.22103338 -1.7073746 3.31230285 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.299E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.00001844 0.00004124 0.00009222 94-75-7 1486 144208949 A A 2,4-Dichlorophenoxyacetic acid Clc1cc(Cl)ccc1OCC(=O)O Tox21_201751 -NCGC00256251-01 196710226 tox21-ror-cho-viability-p1 set2 4 6.09199996 6.21128208 6.5549497 7.56023472 5.21141931 2.78970186 1.45652823 1.30007974 0.60579096 0.58509515 -0.65053086 1.05858998 1.29668972 1.11567404 3.28787511 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 32435-46-4 122612 144211968 F F Bis(methacryloyloxyethyl) hydrogen phosphate O=C(OCCOP(O)(=O)OCCOC(=O)C(=C)C)C(=C)C Tox21_301651 -NCGC00255499-01 196710227 tox21-ror-cho-viability-p1 set2 4 1.22910507 -0.96555154 -4.28647046 -3.45391893 1.92498188 -3.61732091 1.62716908 1.15889052 1.44067594 -1.76703972 0.66765571 -0.24681749 1.72742901 -3.0627023 -4.23183104 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1918-13-4 2734819 144212524 A A Chlorthiamid S=C(N)c1c(Cl)cccc1Cl Tox21_302207 -NCGC00255155-01 196709828 tox21-ror-cho-viability-p1 set2 4 -5.39276096 -2.83414753 -4.94392775 -0.27763765 -2.60518222 2.32460675 -0.8663198 0.84219687 -2.89059505 -2.58222377 0.08327959 -4.01940318 -3.86202653 -4.64052408 -0.24398981 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1742-14-9 74448 144212085 A A 1,1-Bis(3,4-dimethylphenyl)ethane Cc1ccc(cc1C)C(C)c2ccc(C)c(C)c2 Tox21_301768 -NCGC00259915-01 196709428 tox21-ror-cho-viability-p1 set2 4 0.0199232766 5.0842989679 -3.5842989679 1.5 4.9549173134 0.323041852 0.3477048019 1.13668397 0.66010088 -12.57024914 -1.66554607 0.88620573 3.02795838 3.56598356 3.25297184 -0.69085622 1.33269543 0.26820759 1.295805 0.56101181 2.54962229 1.08593458 1.466E-9 3.2789999999E-9 7.331E-9 1.6389999999E-8 3.666E-8 8.196E-8 1.8329999999E-7 4.098E-7 9.1639999999E-7 0.0000020489999999 0.0000045819999999 0.00001025 0.00002291 0.000051229999999 0.00011449999999 1852-16-0 15817 144209564 A A N-(Butoxymethyl)acrylamide CCCCOCNC(=O)C=C Tox21_202366 -NCGC00256224-01 196709826 tox21-ror-cho-viability-p1 set2 4 5.23694146 -0.20096313 1.32305684 -0.15529725 -0.97101816 0.93228128 1.18510887 0.28804697 -1.13264897 1.18289417 0.50734937 -0.46681914 0.75256907 0.22263193 1.36383751 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2094-99-7 604152 144212033 F F 1-(2-Isocyanatopropan-2-yl)-3-(prop-1-en-2-yl)benzene C=C(C)c1cccc(c1)C(C)(C)\N=C=O Tox21_301716 -NCGC00255611-01 196709835 tox21-ror-cho-viability-p1 set2 4 4.60516469 -2.68394124 0.29728397 -1.14959033 -1.77982281 -0.33155099 1.70112232 0.32538014 0.20868269 1.63716003 0.68055082 0.00373513 3.04843363 1.31535085 7.15752008 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2495-39-8 23690996 144212122 Ac Ac 2-Propene-1-sulfonic acid, sodium salt [Na+].[O-]S(=O)(=O)CC=C Tox21_301805 -NCGC00256234-01 196709837 tox21-ror-cho-viability-p1 set2 -3 67.892692775 -82.1995963325 2.4918313574 -79.7077649751 4.9549173134 0.984648677 1.02E-8 5.31594033 3.14274663 1.54418437 1.35949692 3.42213257 3.30651637 0.36124341 -0.53916698 0.3068912 4.14102427 0.73897021 0.5925934 1.5034537 1.169353 -64.84743252 1.1699999999E-9 2.617E-9 5.851E-9 1.3079999999E-8 2.926E-8 6.542E-8 1.463E-7 3.271E-7 7.314E-7 0.0000016359999999 0.000003657 0.000008178 0.00001829 0.000040889999999 0.00009143 3031-66-1 18198 144212053 Bc F Hex-3-yne-2,5-diol CC(O)C#CC(C)O Tox21_301736 -NCGC00255595-01 196709838 tox21-ror-cho-viability-p1 set2 -2.4 68.5896218971 -30.3016974679 1.5 -28.8016974679 4.9549173134 0.8606866853 0.001607697 2.45112129 -1.52829545 4.68535968 0.58289504 0.24394704 -0.96815204 1.86326425 3.83958045 3.46975214 -2.06116624 4.23022669 3.32614269 -2.72615933 2.94085008 -23.58474789 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51229-78-8 6435993 144212263 A Chloroallyl methenamine chloride [Cl-].Cl\C=C/C[N+]13CN2CN(CN(C1)C2)C3 Tox21_301946 -NCGC00255821-01 196709839 tox21-ror-cho-viability-p1 set2 4 0.001728151 13.4845888119 -14.4845888119 -1 1.0999999999 0.6821025561 0.0476380889 -10.40382401 -3.56947263 -4.6742757 -3.4311736 -0.16614297 -3.24750586 0.50596323 -1.7059143 -1.22271034 0.19087429 -4.36774882 0.43120266 0.01884853 -0.7489431 1.22095529 1.183E-9 2.6459999999E-9 5.916E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3069999999E-7 7.395E-7 0.0000016539999999 0.0000036979999999 0.000008268 0.000018489999999 0.00004134 0.000092439999999 131-08-8 23661981 144211792 A Ac Sodium 9,10-dioxo-9,10-dihydroanthracene-2-sulfonate [Na+].[O-]S(=O)(=O)c2ccc3C(=O)c1ccccc1C(=O)c3c2 Tox21_301475 -NCGC00255999-01 196709847 tox21-ror-cho-viability-p1 set2 4 -0.01911798 -2.7739394 1.01000762 -0.41875895 -4.34552044 -3.49017806 -1.35851868 0.31593929 -2.77217755 -1.11410456 -0.39487173 -0.83053707 1.11815277 0.05403816 0.03624497 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2163-00-0 16551 144212438 A Ac 1,6-Dichlorohexane ClCCCCCCCl Tox21_302121 -NCGC00255402-01 196710259 tox21-ror-cho-viability-p1 set2 4 1.03197216 5.71584319 4.29512987 4.12411796 4.62878023 0.86456954 0.43061987 1.39305081 -0.33793142 -0.7396782 3.59692907 4.1271801 0.21156706 3.7340034 10.02453205 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 29457-72-5 23677927 144212636 Lithium perfluorooctane sulfonate [Li+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_302319 -NCGC00254400-01 196699706 tox21-ror-cho-viability-p1 set1 4 27.3060203028 -13.308002656 0.5 -12.808002656 4.9549173134 0.7490927204 0.0260007846 0.48654764 -0.74860754 -1.80616052 0.97489697 -1.2658526 -2.10566536 2.26567518 2.74858587 2.14945497 3.86972894 -1.06355249 2.61098878 -1.45216017 -11.50666888 -4.403077 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-00-5 8152 144210674 A A Dodecyltrimethylammonium chloride [Cl-].C[N+](C)(C)CCCCCCCCCCCC Tox21_300356 -NCGC00254606-01 196699703 tox21-ror-cho-viability-p1 set1 4 17.2289340586 -7.249969464 0 -7.249969464 4.9549173134 0.4668527606 0.210232634 0.76682814 1.64705448 -0.23863919 1.19699681 0.68095325 0.92224573 -0.19918011 -0.13955775 2.04632995 -9.79164122 0.89254638 1.15990876 -4.80400053 -7.15609435 -6.9134064 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 129630-19-9 182951 144211015 A A Pyraflufen-ethyl Cn2nc(c1cc(OCC(=O)OCC)c(Cl)cc1F)c(Cl)c2OC(F)F Tox21_300698 -NCGC00254598-01 196699704 tox21-ror-cho-viability-p1 set1 4 54.4826732819 -11.67306668 -1.5 -13.17306668 2.7202212143 0.7461679574 0.0212334083 -2.55311231 -0.20365627 -0.38605336 -3.82009255 -0.10127748 -3.61151035 -1.06062619 -1.53290042 -1.17497219 -3.07581133 -2.06500922 0.66019248 0.31186378 -6.02599924 -10.5608889 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1124-33-0 14300 144211007 A 4-Nitropyridine-1-oxide [O-][n+]1ccc(cc1)[N+](=O)[O-] Tox21_300690 -NCGC00255123-01 196700110 tox21-ror-cho-viability-p1 set1 -2.2 54.4826732819 -39.0807319807 -1 -40.0807319807 3.5117481694 0.9408696895 0.000020959 -1.82898529 0.08665861 -1.45170876 1.99632264 -0.87542819 1.42037951 0.96224789 -3.63721395 -5.28671652 1.29093206 -2.65961065 -4.67784485 -0.09718821 -11.64707373 -34.90964544 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84-16-2 192197 144211773 A A meso-Hexestrol Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c2ccc(O)cc2 Tox21_301456 -NCGC00256140-01 196700117 tox21-ror-cho-viability-p1 set1 4 0.0015355304 14.70926718 -14.20926718 0.5 4.9549173134 0.5407807502 0.1442894888 -11.00772265 -0.56067487 -0.21414731 0.41345867 -1.14320359 0.60184866 -1.51781983 -2.21199536 0.7244275 4.9055175 -1.51059821 1.74511942 -3.48443108 -1.63070272 6.8643757 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 30374-01-7 104386 144211593 F F Isooctyl 3-mercaptopropionate CC(C)CCCCCOC(=O)CCS Tox21_301276 -NCGC00256129-01 196700120 tox21-ror-cho-viability-p1 set1 4 1.51707046 -0.25036828 1.44987772 0.01869374 3.57928489 1.91046098 0.10245231 -0.23877043 1.94553482 -0.05372758 1.62339374 -0.75447215 -0.30393106 6.61946856 2.84791048 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2917-73-9 18016 144211587 A A Dibutyl nonanedioate O=C(CCCCCCCC(=O)OCCCC)OCCCC Tox21_301270 -NCGC00256207-01 196700124 tox21-ror-cho-viability-p1 set1 4 2.74235583 -0.40471622 2.1464853 0.00433286 -0.99889628 1.09985313 1.95792132 0.23631501 1.49450382 5.40687401 -0.13068104 0.17788685 -0.63869234 7.93050197 0.56953022 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19750-95-9 12336279 144211729 A C Chlordimeform hydrochloride Cl.Clc1cc(C)c(/N=C/N(C)C)cc1 Tox21_301412 -NCGC00256230-01 196700518 tox21-ror-cho-viability-p1 set1 4 -0.28969231 0.17455421 -0.80351083 1.89657009 2.80021713 -0.27115339 -0.85677245 10.13704645 0.53148027 3.44611981 0.54228972 0.1184863 2.1830185 5.00860492 3.94069919 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4674-50-4 1268142 144212702 A A Nootkatone C=C(C)[C@@H]1CCC2=CC(=O)C[C@@H](C)[C@]2(C)C1 Tox21_302385 -NCGC00255261-01 196700520 tox21-ror-cho-viability-p1 set1 4 5.53575965 1.68664017 4.0282439 2.69915806 5.66225689 0.80971806 2.28373948 3.915278 0.50398677 7.66610795 2.68231161 0.44926683 0.50070781 1.88029442 2.77703908 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85507-79-5 19283 144212735 F F Phthalic acid, diundecyl ester, branched and linear O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC Tox21_302418 -NCGC00090773-04 196700521 tox21-ror-cho-viability-p1 set1 4 0.11214335 1.19852832 0.5426497 1.27324089 1.48703522 6.559967 1.66215513 1.31337331 -1.1131978 2.31620618 -0.95344105 -0.84539728 -0.78452789 2.13784684 0.77669055 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00255363-01 196700537 tox21-ror-cho-viability-p1 set1 4 0.19501117 1.70335022 1.02086784 -0.19952059 0.23454764 3.84211034 0.57947482 0.57040569 0.00220184 1.40818224 -3.26906046 -7.15206425 0.81676134 1.41027863 3.68026087 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1982-49-6 16116 144211742 B B Siduron O=C(NC1CCCCC1C)Nc2ccccc2 Tox21_301425 -NCGC00255870-01 196700539 tox21-ror-cho-viability-p1 set1 4 -3.25801427 4.83849578 1.25082849 -1.27354722 -3.49217782 -2.84617362 -2.94521259 -1.54413525 0.5752985 1.34463801 5.56324901 -1.67346778 2.3123718 5.36657498 -3.16231161 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19406-86-1 88043 144212435 A A 3-Amino-4-methylbenzamide Cc1ccc(cc1N)C(N)=O Tox21_302118 -NCGC00255438-01 196700919 tox21-ror-cho-viability-p1 set1 4 76.9588215421 11.0178053079 -1.0178053079 10 4.9549173134 0.4898462445 0.1901343263 -2.34777808 0.15472723 -1.97801526 -0.61296071 2.46844613 -1.88758038 3.69747913 -2.06810938 -1.60788831 1.83150533 -4.59817109 -0.33939317 -1.5789401 -3.32492979 7.88513959 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1196-01-6 92874 144211748 A Ac L-Verbenone CC2(C)[C@H]1C[C@@H]2C(=O)C=C1C Tox21_301431 -NCGC00256005-01 196700907 tox21-ror-cho-viability-p1 set1 4 -3.50960604 -2.18542477 -1.70402663 2.10023782 -0.49504719 -3.06540997 -2.07696777 -4.65093493 0.13688083 -1.92906092 2.22107774 -1.86726731 0.09230189 1.04440775 -5.19332237 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 34487-61-1 23686673 144212448 A I Phenol Red sodium salt [Na+].Oc1ccc(cc1)C3(OS(=O)(=O)c2ccccc23)c4ccc([O-])cc4 Tox21_302131 -NCGC00255947-01 196700912 tox21-ror-cho-viability-p1 set1 -2.4 19.3311819617 -25.3797468879 1.5 -23.8797468879 3.0654483358 0.9805529446 4.06E-8 1.24589861 1.87089258 0.47340236 -0.37805667 -0.56338475 3.28301978 2.27637816 0.37804328 0.97399386 2.29919157 1.92820456 1.02608788 -11.43891965 -20.27168929 -24.06645574 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 83-28-3 6733 144211578 Ac Ac 2-Isovaleryl-1,3-indanedione CC(C)CC(=O)C2C(=O)c1ccccc1C2=O Tox21_301261 -NCGC00256022-01 196700915 tox21-ror-cho-viability-p1 set1 4 76.9588215421 16.077037164 -3.577037164 12.5 0.2 0.362473504 0.3104191562 -1.07973366 -1.29388135 -3.39753097 -0.60637335 -1.40956615 2.09055218 -2.04856958 0.14502004 1.65734211 -0.65707032 9.296124 0.37193818 0.52109005 0.5419631 8.30157748 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3698-94-0 77288 144212210 A Fns Ethyl octyl sulfide CCCCCCCCSCC Tox21_301893 -NCGC00255321-01 196700921 tox21-ror-cho-viability-p1 set1 4 1.80690324 -1.89490891 0.5040412 0.13467013 1.0086925 -0.40757595 0.48471489 0.79470994 3.0031157 3.64292867 -0.03951081 2.7707038 2.8614289 3.99489932 -1.84043066 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 566-48-3 11273 144212603 A A 4-Hydroxyandrostenedione O=C2CC[C@H]3[C@@H]4CCC1=C(O)C(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_302286 -NCGC00255349-01 196700924 tox21-ror-cho-viability-p1 set1 4 -2.2665785 1.09689856 3.80568117 0.23019848 0.88014687 -0.29619546 0.78771134 -0.33616351 -5.18626044 0.6305825 -4.86234278 0.11847192 -3.48769282 -1.58473165 7.97590679 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 481-72-1 10207 144212717 A A Aloe-emodin Oc3cccc2C(=O)c1cc(cc(O)c1C(=O)c23)CO Tox21_302400 -NCGC00256173-01 196701322 tox21-ror-cho-viability-p1 set1 4 2.4333451 0.95517025 -1.11417688 0.92240967 -0.16341735 3.68518477 0.6191959 2.19595818 -6.00640957 -0.65008726 3.53151743 0.76535219 -1.03579105 0.09963195 -4.35892905 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-50-3 61048 144212644 A Ac Isobutyl benzoate CC(C)COC(=O)c1ccccc1 Tox21_302327 -NCGC00255193-01 196701328 tox21-ror-cho-viability-p1 set1 4 34.3762428541 -27.514139204 -3 -30.514139204 0.8999999999 0.456058268 0.2354851732 -5.43389367 2.77954542 -0.0372218 1.94740941 -2.19843217 -7.48768414 -6.42574384 -11.81232243 2.17867902 -10.62935987 -1.85939481 -12.95089941 -4.9994103 -23.76178267 -9.48920697 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-27-1 5756 144211921 A A Estriol Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)[C@H](O)C[C@@H]12)c4cc3 Tox21_301604 -NCGC00256221-01 196701330 tox21-ror-cho-viability-p1 set1 4 -1.37491229 -2.13182028 0.01118639 0.05441173 -0.94118588 -8.82488619 1.75956192 0.41260528 -1.29003751 2.80751886 0.99052147 -0.4311389 -0.50592149 4.23411746 2.83344759 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 44860-68-6 94785 144212075 A A 2,2'-(Methanediyldisulfanediyl)diethanol OCCSCSCCO Tox21_301758 -NCGC00255502-01 196701336 tox21-ror-cho-viability-p1 set1 4 -3.20656912 -0.78347262 -3.70924976 -0.05290766 -1.97133974 -6.2139303 -9.73404864 -8.43675152 -5.82801633 -1.01403652 -3.78334616 -1.69409622 -11.35181467 -7.07338579 -4.54398388 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3653-48-3 2724048 144212703 Ac Ac MCPA-sodium [Na+].Clc1cc(C)c(OCC([O-])=O)cc1 Tox21_302386 -NCGC00255320-01 196701337 tox21-ror-cho-viability-p1 set1 4 9.6885416101 -5.9445474639 2 -3.9445474639 3.9899729863 0.397434427 0.2763024456 2.75399028 0.95605303 2.41824002 3.18868067 1.1711101 -0.29411499 0.15461265 2.12524398 2.92507649 -0.69704133 3.44852143 2.55562613 -11.62045622 0.789529 -2.66142428 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55704-78-4 62105 144212749 F A 2,5-Dimethyl-1,4-dithiane-2,5-diol CC1(O)CSC(C)(O)CS1 Tox21_302432 -NCGC00257589-01 196701757 tox21-ror-cho-viability-p1 set1 4 -2.38150769 1.23026696 -11.38549692 -8.63782212 -10.6656656 -12.66453607 -13.18755235 -4.32640809 -29.86712534 -10.67185619 -15.90637202 -3.67637805 -7.40938648 -5.89532903 -12.44537933 1.19E-9 2.661E-9 5.95E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003719 0.000008315 0.00001859 0.00004158 0.00009297 100-69-6 7521 144207233 Ac Fns 2-Vinylpyridine C=Cc1ccccn1 Tox21_200035 -NCGC00024504-09 196697292 tox21-ror-cho-viability-p1 set1 4 -0.39269078 2.68616083 0.4529163 2.83917082 2.38511247 -0.85327401 1.77638135 8.12112904 0.96353483 -0.00373074 2.50432146 3.31010789 -0.55073006 1.91652628 0.79975702 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 487-79-6 10255 170465818 A Kainic acid CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O Tox21_110905_1 -NCGC00260432-01 196712260 tox21-ror-cho-viability-p1 set2 4 -4.04569509 -3.57565987 -0.231479 0.13815642 -0.89435433 -0.89012388 -2.22154959 -1.23395941 -1.47396168 -2.41053398 -3.68223134 -1.43361056 -1.36622033 -7.49343834 -8.43154316 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004136 0.00009247 602-38-0 11764 144210084 B B 1,8-Dinitronaphthalene [O-][N+](=O)c1cccc2cccc([N+]([O-])=O)c12 Tox21_202886 -NCGC00260667-01 196711836 tox21-ror-cho-viability-p1 set2 4 -2.81919711 -5.43794066 -5.65416588 -6.21733363 -7.93186591 -1.94107444 -13.51746187 -3.67682239 -6.07179664 -28.24160342 -10.88436921 0 -8.59930071 -5.51334686 -3.49336509 1.149E-9 2.568E-9 5.743E-9 1.284E-8 2.872E-8 6.421E-8 1.436E-7 3.211E-7 7.1789999999E-7 0.0000016049999999 0.000003589 0.0000080259999999 0.00001795 0.00004013 0.000089739999999 71-55-6 6278 144210320 Fns 1,1,1-Trichloroethane CC(Cl)(Cl)Cl Tox21_203122 -NCGC00357133-01 196711852 tox21-ror-cho-viability-p1 set2 4 3.0637858693 -21.802730324 3.5 -18.302730324 0.4 0.568327896 0.1359738293 2.95114783 3.12568346 0.63651678 -0.26972142 1.37965682 1.00677874 -0.69248776 -1.6345587 -10.09106695 -0.18957624 -12.52490339 -0.49446872 -20.25227527 -9.55389127 -3.10539829 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1489-69-6 123114 251919872 F Cyclopropanecarboxaldehyde O=CC1CC1 Tox21_303871 -NCGC00357118-01 196712250 tox21-ror-cho-viability-p1 set2 -2.2 19.3311819617 -52.9172730759 -3.8986433 -56.8159163759 3.9899729863 0.9005034525 0.0005693558 0.38983602 -0.0562806 -2.78340166 -3.05267324 -7.42062234 -3.63877809 -3.32566175 -3.87366348 -3.90176206 -18.09289581 0 0 -30.02780237 -53.59659698 -28.72214125 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 178928-70-6 6451142 251919726 A Prothioconazole S=C3N=CNN3CC(O)(Cc1ccccc1Cl)C2(Cl)CC2 Tox21_303849 -NCGC00181915-02 196712666 tox21-ror-cho-viability-p1 set2 4 0.26603212 -5.7838688719 -0.5 -6.2838688719 4.9549173134 0.3834015367 0.289075669 -1.40622202 -1.33708696 0.16340913 -1.43448836 -0.22202083 -2.25843234 -0.31682654 0.66106945 -6.0412011 -13.15322406 -0.2333154 -2.40606938 -6.87902476 -1.57827687 -11.94939387 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118635-52-2 164072 144206888 B C Mepranoprofen arbamel CN(C)C(=O)COC(=O)C(C)c1cc2Cc3ccc(C)nc3Oc2cc1 Tox21_113336_1 -NCGC00167547-02 196712668 tox21-ror-cho-viability-p1 set2 4 8.4126743008 7.699147168 0.300852832 8 1.0999999999 0.643345091 0.0697481074 2.6786933 1.51303439 -2.55837422 -0.69620672 -0.7525753 2.05225744 -3.08262264 1.10956935 1.52206507 2.12753321 1.10689304 2.22862115 3.75241926 7.66355382 5.8584232 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 666-99-9 12629 170465652 F Agaric acid O=C(O)C(CCCCCCCCCCCCCCCC)C(O)(CC(=O)O)C(=O)O Tox21_112543_1 -NCGC00181911-01 196712671 tox21-ror-cho-viability-p1 set2 4 -2.14621253 -0.42339291 -2.77747867 -4.34938034 0.20289012 1.61715329 0.50220728 -1.78869621 0.72997742 -4.15451123 -2.98718151 -2.0850364 1.75289634 1.36010019 5.47426199 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 841-73-6 2461 144206890 B C Bucolome O=C2C(CCCC)C(=O)NC(=O)N2C1CCCCC1 Tox21_113339 -NCGC00015007-14 196712683 tox21-ror-cho-viability-p1 set2 4 2.10960884 0.0448874 0.20396677 1.4454745 2.38774785 3.41869784 0.87839792 1.60627524 1.15824008 0.93512716 0.14229467 5.38326768 1.73634128 -0.18621829 1.85487319 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56715-13-0 180559 170464744 A R-(+)-Atenolol CC(C)NC[C@@H](O)COc1ccc(cc1)CC(N)=O Tox21_111211_1 -NCGC00160451-02 196713078 tox21-ror-cho-viability-p1 set2 4 0.06345619 -1.99413269 -0.55429519 -2.74363379 -1.79764712 -2.07625052 -2.22759261 -3.31535484 -3.28134234 -2.61791432 -2.69229145 -0.03109127 -0.53430872 -0.75090708 4.27248121 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1553-60-2 15250 170465922 Ac Ibufenac CC(C)Cc1ccc(cc1)CC(=O)O Tox21_111821_1 -NCGC00016636-05 196712695 tox21-ror-cho-viability-p1 set2 4 3.58816486 6.44807391 0.08993583 4.52849674 3.438724 3.87400498 5.27521711 1.14889762 4.48870051 0.18026488 0.116462 0.0122213 1.67632571 1.58942098 6.02842168 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3717-88-2 441345 170466285 A Flavoxate hydrochloride Cl.O=C(OCCN1CCCCC1)c4cccc2c4OC(=C(C)C2=O)c3ccccc3 Tox21_110537_1 -NCGC00163843-03 196712285 tox21-ror-cho-viability-p1 set2 4 34.9713969285 16.2941772721 0.7058227279 17 2.3331733767 0.6931831241 0.0413509701 -1.84084283 -0.42109416 -1.43049031 -2.32848106 0.17578125 1.18773119 1.28330477 -0.10496693 11.12358254 1.23493395 -1.58869918 2.5897429 2.80487106 11.23096956 17.25453266 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00255431-01 196728529 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -23.3559589839 -1 -24.3559589839 4.9549173134 0.6709034018 0.0525549308 -9.72700432 1.9711441 -2.37252864 -3.41678282 -1.81782122 -1.08256984 -2.90151884 -0.38265868 3.23660955 -0.24671969 1.72304979 -2.61606118 -0.21901009 0.89651516 -18.62996582 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21145-77-7 89440 144211573 A A 6-Acetyl-1,1,2,4,4,7-hexamethyltetralin CC(=O)c1cc2c(cc1C)C(C)(C)C(C)CC2(C)C Tox21_301256 -NCGC00256200-01 196728118 tox21-ror-cho-viability-p1 set3 4 0.064063915 15.213865704 -5.213865704 10 4.9549173134 0.6415122609 0.0691125808 -0.28215433 -18.92822142 0.48358894 0.42294734 -6.94104556 4.11180869 16.01583772 5.59268311 12.54347336 11.68446049 9.07456021 6.44415201 15.00315541 9.05737196 5.33618195 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 7778-74-7 516900 144212509 Potassium perchlorate [K+].[O-]Cl(=O)(=O)=O Tox21_302192 -NCGC00255933-01 196728121 tox21-ror-cho-viability-p1 set3 4 19.3311819617 9.396148632 0.103851368 9.5 4.9549173134 0.3646679321 0.3062762517 -2.74985211 -1.0037259 -1.31993776 2.08769102 9.89398205 1.63925189 -6.58012386 1.10379783 7.90557992 -4.66203553 -1.80955663 -3.83798594 4.81981842 8.59339447 9.63361132 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17781-31-6 28768 144211576 A A Parinol OC(c1ccc(Cl)cc1)(c2cccnc2)c3ccc(Cl)cc3 Tox21_301259 -NCGC00255918-01 196728523 tox21-ror-cho-viability-p1 set3 4 1.50001106 1.48206158 5.11082608 9.01542894 3.98138965 4.61248165 -4.07815682 -2.74904626 9.41557963 10.32282044 9.40282265 4.44287627 5.80396973 7.82313296 4.21682456 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2631-40-5 17517 144211678 A A Isoprocarb O=C(Oc1ccccc1C(C)C)NC Tox21_301361 -NCGC00255159-01 196728536 tox21-ror-cho-viability-p1 set3 4 -4.51191733 -4.67915555 6.71068302 3.99682274 6.14049398 7.80214739 7.8554061 6.30311364 5.17233837 6.59269906 -5.72414004 3.4071961 -2.52575859 -2.32865463 2.69439636 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-44-5 5281515 144211814 A Fns beta-Caryophyllene C=C2CCC=C(C)CC[C@@H]1[C@@H]2CC1(C)C Tox21_301497 -NCGC00090760-08 196728548 tox21-ror-cho-viability-p1 set3 -2.4 60.7577547203 -33.729590072 2.5 -31.229590072 3.6772481694 0.9197838772 0.0001052603 -1.06366673 4.79317787 5.15756193 1.01611615 -0.13840158 3.22834294 2.26364885 2.40232333 3.89622737 1.97185885 7.40294095 0.86671057 1.64985816 -3.59186836 -25.19132506 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00256254-01 196728939 tox21-ror-cho-viability-p1 set3 4 8.6349217992 11.366788716 -3.866788716 7.5 4.9549173134 0.5338252571 0.1654227331 1.33199957 1.50242162 -3.16500845 -5.45645219 1.07520085 -5.98174269 -7.83663168 1.05791536 -6.43187961 -9.47232393 -8.53461957 1.43677691 8.67184668 6.05547061 -1.25991445 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6928-67-2 81346 144211818 A A Dipropyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate Clc1c(c(c(Cl)c(Cl)c1Cl)C(=O)OCCC)C(=O)OCCC Tox21_301501 -NCGC00357068-01 196724883 tox21-ror-cho-viability-p1 set3 4 0.0021689943 15.653741812 -13.653741812 2 3.9294729863 0.5198433069 0.1613639948 -12.21145151 -3.5832547 5.50534917 -5.06889043 5.96808509 -1.59013076 1.66081861 6.45625218 2.16842226 -4.62969133 2.65378327 0.78369488 4.10255715 0.76461338 6.89289514 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-08-0 7976 251919820 Ac 2-Methylpyrazine Cc1cnccn1 Tox21_303776 -NCGC00357118-01 196724460 tox21-ror-cho-viability-p1 set3 -2.4 68.5896218971 -25.3195983239 -1 -26.3195983239 4.4494702849 0.7065673495 0.0353201235 -8.751708 0.70270346 -2.83758649 0.76486138 -5.68043469 2.22087301 2.9469125 3.11525613 -4.41321854 -0.67557735 -1.3692167 -0.48159836 2.24229001 -3.82647405 -21.09966527 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 178928-70-6 6451142 251919726 A Prothioconazole S=C3N=CNN3CC(O)(Cc1ccccc1Cl)C2(Cl)CC2 Tox21_303849 -NCGC00260375-01 196724479 tox21-ror-cho-viability-p1 set3 4 0.0034376243 15.0837900439 -12.5837900439 2.5 0.7 0.6697402125 0.0535125392 -9.65315837 -3.14284659 -2.46678951 -3.25921423 -2.95304483 2.72132976 -1.20135051 6.20850566 -0.20051719 4.22911547 3.09973037 1.3300846 -0.95474162 2.67335787 4.30809815 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.000003688 0.000008248 0.00001844 0.00004124 0.000092209999999 3789-59-1 6993773 144210027 A Fc (S)-(-)-1-Amino-1-phenylpropane N[C@@H](CC)c1ccccc1 Tox21_202829 -NCGC00260511-01 196724889 tox21-ror-cho-viability-p1 set3 4 0.1090389582 3.9890830799 -3.9890830799 0 4.4494702849 0.4129082889 0.2792623439 -3.7359707 -0.69509059 -0.60879088 -8.3242359 -4.85446851 -6.90556061 0.29341948 2.50324992 -1.42231382 0.27422248 -0.43862944 0.29319654 -3.69919754 2.46787937 -13.05711131 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.0000082699999999 0.000018489999999 0.00004135 0.000092459999999 1468-95-7 73848 144210163 C F 9-Anthracenemethanol OCc2c3ccccc3cc1ccccc12 Tox21_202965 -NCGC00257246-01 196707069 tox21-ror-cho-viability-p1 set1 4 -10.50876206 -8.3895651 -1.1103259 -1.66229534 1.85765301 -7.48832017 -7.62270932 -0.06675465 0.3512677 -11.31362419 0.9520688 -0.10732418 -7.51230938 -8.43783512 -16.82486521 4.647E-10 1.039E-9 2.324E-9 5.196E-9 1.1619999999E-8 2.598E-8 5.809E-8 1.299E-7 2.9049999999E-7 6.495E-7 0.0000014519999999 0.0000032469999999 0.0000072619999999 0.000016239999999 0.00003631 17924-92-4 5281576 144213818 A A Zearalenone Oc1cc(O)cc2C=CCCCC(=O)CCC[C@H](C)OC(=O)c12 Tox21_303510 -NCGC00164168-02 196706657 tox21-ror-cho-viability-p1 set1 4 5.31963734 -6.75510692 -0.37975422 0.183737 2.74808803 -1.51776118 -0.93676695 0.04065087 8.75250077 0 2.54008172 -1.31497416 -0.41961669 -3.56346917 0.23485216 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00090942-03 196706671 tox21-ror-cho-viability-p1 set1 -2.1 68.5896218971 -104.4806617723 -3.3226934919 -107.8033552642 4.5044702849 0.9452079712 0.0000138338 0.04840748 -2.58202467 0.94264402 -12.14047818 2.25934699 -1.05796162 -2.97117095 -0.50279963 0.19199429 0 -4.0376185 -15.90862807 -9.34319418 -13.16651321 -85.96758793 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00259174-01 196706676 tox21-ror-cho-viability-p1 set1 4 -0.84315525 2.22347684 -10.2226313 -15.6944207 -2.57593602 -8.48072286 -3.86929502 -4.78074118 -3.74023345 -2.00444566 -5.19436441 1.71479883 -2.19304194 6.01126402 -3.21883417 1.1999999999E-9 2.684E-9 6.001E-9 1.3419999999E-8 3E-8 6.7089999999E-8 1.5E-7 3.355E-7 7.5009999999E-7 0.000001677 0.0000037509999999 0.000008387 0.00001875 0.00004193 0.00009376 123-96-6 20083 144208823 A A 2-Octanol CC(O)CCCCCC Tox21_201625 -NCGC00160370-02 196705435 tox21-ror-cho-viability-p1 set1 4 -9.74166285 -7.21113676 -7.26043154 -9.8349563 -2.32196202 -3.76674125 -8.58206006 -4.952534 -6.13861969 -5.02836 -2.16573018 -7.2562046 -4.65753509 -3.99976548 -7.74246582 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7007-96-7 5360232 170466323 A Crotoniazide O=C(N\N=C\C=CC)c1ccncc1 Tox21_111768_1 -NCGC00164127-03 196705018 tox21-ror-cho-viability-p1 set1 -2.1 27.3060203028 -81.740030003 0.1706428479 -81.5693871551 2.5334283767 0.9884725564 1.9E-9 3.3254599 0.23436328 0.48651729 0.39183357 -0.24968839 -2.76630032 -0.74072539 0.51074601 -0.47634288 3.27262372 -1.27187591 -5.97038986 -22.0586542 -55.94041216 -84.96811162 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00178317-03 196705038 tox21-ror-cho-viability-p1 set1 4 -0.2158064 0.16763002 0.69894372 -0.56214058 -1.25023651 -2.58243816 0.17487166 0.04565435 -3.59527461 -0.24706143 -0.71682686 -2.6049345 -0.43726014 -1.48649139 -0.96678643 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63585-09-1 44561 170465060 F Foscarnet trisodium [Na+].[Na+].[Na+].[O-]C(=O)P([O-])([O-])=O Tox21_111364_1 -NCGC00253747-01 196705430 tox21-ror-cho-viability-p1 set1 4 1.40922414 0.02310128 2.19611259 1.85375233 0.16722637 -3.88302882 1.76035319 2.49241962 -1.70257384 -2.35208277 -2.99693373 1.29481065 2.17655477 1.90768126 4.90425615 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10389-73-8 25223 170466437 A A Clortermine Clc1ccccc1CC(C)(C)N Tox21_113863 -NCGC00016261-08 196705443 tox21-ror-cho-viability-p1 set1 4 -4.47844297 0.34421428 -6.28778206 -6.3922464 1.74813395 -6.81504686 -2.80922972 -2.73804012 0.55086533 -2.20132276 0.25840784 0.27153467 -0.14222707 1.64365886 0.82853538 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 65-23-6 1054 170464634 Z Pyridoxine Oc1c(CO)c(cnc1C)CO Tox21_113644_1 -NCGC00167509-02 196705446 tox21-ror-cho-viability-p1 set1 4 0.17489617 1.04692382 -2.45779594 2.83210268 0.79152749 0.0756085 0.11020088 2.48103571 -0.15209784 1.27404985 7.1402087 1.57183639 5.41404232 0.37985158 5.58305078 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23182-46-9 168088 170465967 A Pipethanate ethylbromide [Br-].CC[N+]3(CCOC(=O)C(O)(c1ccccc1)c2ccccc2)CCCCC3 Tox21_112507_1 -NCGC00259565-01 196705863 tox21-ror-cho-viability-p1 set1 4 6.30742898 -9.57463455 1.4467332 2.37869885 0.24426707 3.82343185 3.15245848 1.11637626 1.83320821 7.80887699 -6.94167384 2.33780517 4.69226685 1.35291944 5.095585 1.173E-9 2.624E-9 5.867E-9 1.312E-8 2.934E-8 6.56E-8 1.4669999999E-7 3.28E-7 7.334E-7 0.0000016399999999 0.000003667 0.0000082 0.00001834 0.000041 0.00009168 1300-72-7 23668192 144209214 A A Sodium xylenesulfonate [Na+].Cc1ccc(cc1C)S(=O)([O-])=O Tox21_202016 -NCGC00259751-01 196706276 tox21-ror-cho-viability-p1 set1 4 2.1734065517 14.4231005879 -13.305854748 1.1172458399 0.3 0.3880809264 0.283844924 -12.90160124 -6.03877772 -15.84288548 -13.02595558 -12.41789295 -9.31825193 -4.28841031 -3.5897446 -4.79438555 -17.33821229 -2.84429833 -3.761292 -3.71627933 -3.41010714 -1.5689618 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.61E-8 1.4779999999E-7 3.305E-7 7.3899999999E-7 0.0000016529999999 0.0000036949999999 0.000008263 0.00001848 0.00004131 0.000092379999999 105-60-2 7768 144209400 A A Caprolactam O=C1CCCCCN1 Tox21_202202 -NCGC00259297-01 196706280 tox21-ror-cho-viability-p1 set1 4 1.91250292 1.18808017 0.93586534 0.06792452 2.81081741 3.49123406 5.4910778 -0.90501239 -0.2714726 2.98143781 2.84622187 -0.13149688 1.76163535 0.83387924 2.49676932 1.211E-9 2.707E-9 6.054E-9 1.3539999999E-8 3.027E-8 6.768E-8 1.5129999999E-7 3.3839999999E-7 7.567E-7 0.0000016919999999 0.0000037839999999 0.00000846 0.00001892 0.0000423 0.00009459 108-22-5 7916 144208946 FC Isopropenyl acetate C=C(C)OC(C)=O Tox21_201748 -NCGC00259044-01 196706283 tox21-ror-cho-viability-p1 set1 4 3.48500071 -3.68627765 -3.47217241 -6.15197627 7.24975079 0.18100884 0.62993539 0.05006155 -0.73142632 12.15834338 0.28983759 -1.13044429 1.69808278 1.69376846 0.57385137 1.171E-9 2.618E-9 5.8549999999E-9 1.3089999999E-8 2.927E-8 6.546E-8 1.464E-7 3.2729999999E-7 7.3179999999E-7 0.0000016359999999 0.0000036589999999 0.000008182 0.0000183 0.000040909999999 0.00009148 135-20-6 2724103 144208691 F Cupferron [NH4+].O=NN([O-])c1ccccc1 Tox21_201493 -NCGC00254806-01 196699735 tox21-ror-cho-viability-p1 set1 4 76.9588215421 14.0762615759 -1.0762615759 13 4.9549173134 0.8594651392 0.0017280272 -0.79452897 -2.49735177 -2.98021798 -0.57036628 -1.90909891 1.5248798 -1.2736021 -1.51425951 -0.3879179 0.16265585 -0.42627633 -1.15649182 -0.9955137 -1.15811194 9.55623584 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-42-8 7560 144211219 A A Fenuron O=C(Nc1ccccc1)N(C)C Tox21_300902 -NCGC00254508-01 196699722 tox21-ror-cho-viability-p1 set1 4 76.4113045955 15.8053921079 -1.8053921079 14 4.9549173134 0.7541583719 0.0185567705 -5.67116009 -2.05724606 0.02003338 -0.73941403 -3.41504845 -2.63770246 -0.05449902 0.31314044 -3.0977984 -1.62477017 1.16185394 -2.80614906 -2.27180664 -3.08967171 10.83465561 1.173E-9 2.622E-9 5.863E-9 1.311E-8 2.9319999999E-8 6.5549999999E-8 1.466E-7 3.2779999999E-7 7.329E-7 0.0000016389999999 0.000003665 0.000008194 0.00001832 0.000040969999999 0.00009161 7747-35-5 82190 144210864 A Ac 5-Ethyl-1-aza-3,7-dioxabicyclo[3.3.0]octane CCC12COCN2COC1 Tox21_300546 -NCGC00256247-01 196700549 tox21-ror-cho-viability-p1 set1 4 -0.21189663 1.22154139 1.21941206 0.02603142 1.81160577 1.4321527 1.45571263 10.04000986 0.487068 8.74575342 3.32643027 1.85486483 0.4934944 1.4824848 -0.0055094 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17945-05-0 87367 144212111 F A Ethyl [3-(triethoxysilyl)propyl]carbamate CCO[Si](OCC)(OCC)CCCNC(=O)OCC Tox21_301794 -NCGC00258375-01 196716366 tox21-ror-cho-viability-p1 set2 4 0.0138386624 105.9327680585 -103.7685023826 2.1642656759 0.6999999999 0.9857694753 6.6E-9 -91.02500209 -81.90887877 -67.37399534 -42.97175287 -38.48368358 -29.49310785 -18.69480178 -2.32402504 -0.80024133 2.33234115 -0.49439799 0.41466665 2.27562683 0.24358813 -0.85520578 1.191E-9 2.663E-9 5.956E-9 1.332E-8 2.978E-8 6.6579999999E-8 1.489E-7 3.3289999999E-7 7.4439999999E-7 0.000001665 0.0000037219999999 0.000008323 0.00001861 0.00004162 0.00009306 612-23-7 11921 144208019 D 2-Nitrobenzyl chloride O=[N+]([O-])c1ccccc1CCl Tox21_200821 -NCGC00258011-01 196716356 tox21-ror-cho-viability-p1 set2 4 3.7280016981 -4.1158287799 2 -2.1158287799 4.9549173134 0.5207520694 0.163734299 2.608189 0.72885708 0.54338564 1.68070219 1.64225248 5.57511629 1.46526744 0.79352068 2.571902 2.16018524 0.20300639 -6.76319065 -0.4198973 -1.41431544 -0.48293155 1.1469999999E-9 2.564E-9 5.734E-9 1.282E-8 2.867E-8 6.411E-8 1.434E-7 3.205E-7 7.168E-7 0.000001603 0.000003584 0.0000080139999999 0.00001792 0.00004007 0.00008959 2687-25-4 17593 144207655 A D 2,3-Diaminotoluene Cc1cccc(N)c1N Tox21_200457 -NCGC00258597-01 196716358 tox21-ror-cho-viability-p1 set2 4 3.28988276 3.12652041 0.67403238 2.30657 1.69715834 0.66161707 2.34937171 2.59580825 1.32606892 -1.14713316 1.40924703 0.69452892 -0.20519125 2.10740045 -0.62855744 1.172E-9 2.621E-9 5.862E-9 1.311E-8 2.931E-8 6.554E-8 1.465E-7 3.277E-7 7.327E-7 0.0000016379999999 0.000003664 0.000008192 0.00001832 0.00004096 0.00009159 98-37-3 7385 144208242 A A 2-Amino-1-phenol-4-sulfonic acid Oc1ccc(cc1N)S(O)(=O)=O Tox21_201044 -NCGC00091483-03 196716361 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -27.031288768 0 -27.031288768 2.3531167061 0.8282026277 0.004168412 2.36364545 1.62770497 1.44476314 -1.39031443 -1.15226072 -5.36705948 1.138613 2.8751265 1.93982546 -0.25595349 1.46174115 0.18040651 -5.02468928 -5.18519334 -19.19274064 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00257707-01 196716376 tox21-ror-cho-viability-p1 set2 4 8.4858559986 -5.6195405879 2.5 -3.1195405879 2.7202212143 0.4706064179 0.2261158279 3.06619251 0.68748328 4.37445711 2.0002903 4.20072485 2.93488181 1.92094808 0.78232206 2.68472134 2.1828139 1.14097217 2.18590274 -7.18295049 0.4008713 4.0132211 1.163E-9 2.5999999999E-9 5.8139999999E-9 1.2999999999E-8 2.9069999999E-8 6.501E-8 1.454E-7 3.25E-7 7.268E-7 0.000001625 0.000003634 0.000008126 0.00001817 0.00004063 0.000090849999999 124-48-1 31296 144207351 AC Ac Chlorodibromomethane BrC(Br)Cl Tox21_200153 -NCGC00092357-03 196716769 tox21-ror-cho-viability-p1 set2 4 -4.53614448 -5.19552407 -2.44322341 -0.76908401 -1.40271368 -2.24831504 -2.72314826 0.30827975 -1.42246766 -1.64869655 0.58108734 1.31331265 -0.78375546 0.51575551 -1.13632785 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84485-00-7 64764 170465162 A Sibutramine hydrochloride Cl.CN(C)C(CC(C)C)C1(CCC1)c2ccc(Cl)cc2 Tox21_111448_1 -NCGC00159377-04 196716774 tox21-ror-cho-viability-p1 set2 4 0.77635986 -0.32862867 -0.78230492 3.9675564 5.37390781 6.93291332 1.94386603 2.7790995 2.26277517 1.90092291 3.4975108 2.43118054 1.17802402 -0.93779304 2.04658517 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98-54-4 7393 170465689 Fc 4-tert-Butylphenol CC(C)(C)c1ccc(O)cc1 Tox21_111617_1 -NCGC00015874-05 196716781 tox21-ror-cho-viability-p1 set2 -2.4 33.4914596268 -31.973289148 -1.5 -33.473289148 4.9549173134 0.8489028794 0.0023343035 -9.43635092 -5.85428232 -0.81275849 -4.10058794 0.48043941 -1.68627757 -0.63873602 -2.49208694 1.24959296 0.60164027 -1.13723144 0.83105991 -2.38254425 -1.06866952 -29.56107429 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6151-30-0 2725002 170466085 A Quinacrine Cl.Cl.O.O.CCN(CC)CCCC(C)Nc1c3cc(OC)ccc3nc2cc(Cl)ccc12 Tox21_110762_1 -NCGC00166115-02 196716790 tox21-ror-cho-viability-p1 set2 -2.1 18.8336317891 -74.1563124191 3.4416038639 -70.7147085552 2.2526478767 0.9809799197 3.55E-8 0.09017897 0.69663399 0.4222672 2.7707897 6.3888517 6.52512381 9.64162836 3.38517076 2.98840558 2.88646536 1.2721512 0.28727116 -6.22465889 -39.18531678 -61.52629436 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77-58-7 16682738 170466843 F Dibutyltin dilaurate O=C(O[Sn](CCCC)(OC(=O)CCCCCCCCCCC)CCCC)CCCCCCCCCCC Tox21_112324_1 -NCGC00024309-17 196717184 tox21-ror-cho-viability-p1 set2 4 -0.94195739 -1.62810992 -4.29604099 -6.20555679 1.28522272 -4.93895156 -1.4202437 0.53419564 -3.65901237 -5.71989251 1.31357678 -2.82863177 0.16342853 1.90417891 0.06569081 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 42399-41-7 39186 170464699 A (+)-Diltiazem CN(C)CCN1c3ccccc3S[C@H]([C@@H](OC(C)=O)C1=O)c2ccc(OC)cc2 Tox21_110898_1 -NCGC00090814-07 196717984 tox21-ror-cho-viability-p1 set2 4 2.65700618 2.00190771 3.30345851 3.84324957 3.97588915 3.34295328 4.6069657 3.47279951 6.15035537 -2.23418739 3.81844082 3.81596533 0.32537106 1.99281329 2.00706316 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 106-48-9 4684 170465673 Ac 4-Chlorophenol Oc1ccc(Cl)cc1 Tox21_111028_1 -NCGC00159462-04 196717987 tox21-ror-cho-viability-p1 set2 4 23.7101376556 -11.1531633679 -5.437211156 -16.5903745239 0.4 0.3859843369 0.2892208984 -3.2453787 -7.14234219 -7.90695778 -8.82028595 -5.44136342 -9.06195039 -7.69010281 -5.80679038 -2.86434263 -6.39695143 -12.47169984 -7.4725719 -9.09499694 -11.07580196 -12.99197877 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 155213-67-5 392622 170464891 A Ritonavir CC(C)c4nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc3cncs3)C(C)C)cs4 Tox21_112969_1 -NCGC00091088-05 196718380 tox21-ror-cho-viability-p1 set2 4 0.09952709 1.64142255 0.05044494 -0.45853742 2.6300445 3.20476925 2.57095759 1.11665513 2.39770869 1.11913769 4.28652142 -2.97890887 -2.1013544 3.05221058 4.77469015 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00260509-01 196724227 tox21-ror-cho-viability-p1 set3 4 -2.56643481 -2.05157462 -11.80624175 6.27350018 9.12179713 7.5929413 -3.55973432 -2.3160766 -0.54572232 0.55179751 1.73542721 -7.16341079 -3.41613725 -5.42542045 -12.03575813 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 1210-12-4 14586 144210161 A A 9-Cyanoanthracene N#Cc2c3ccccc3cc1ccccc12 Tox21_202963 -NCGC00255417-01 196709934 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -11.575628508 0.5 -11.075628508 4.9549173134 0.8185886448 0.0054986634 -0.35010592 -0.13462147 -0.52059682 -0.38939137 0.389452 3.59122118 -0.59755964 0.58317351 0.88258482 -0.07677837 -0.00916766 0.3826741 0.78195548 0.92393628 -8.39635709 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 611-20-1 11907 144212427 A A 2-Hydroxybenzonitrile N#Cc1ccccc1O Tox21_302110 -NCGC00023234-05 196712820 tox21-ror-cho-viability-p1 set2 4 9.4391758155 -12.705458764 5 -7.705458764 0.6999999999 0.8116560785 0.0090470557 5.0179512 3.86769618 7.24981707 4.72982215 4.41491385 3.37113036 4.80331031 5.25343729 5.33702837 1.44463068 1.24278694 0.78478997 0.75629159 -4.75454897 0.04034472 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1524-88-5 15209 170465298 F Flurandrenolide OCC(=O)[C@@]54OC(C)(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3C[C@H](F)C1=CC(=O)CC[C@@]12C Tox21_110509_1 -NCGC00255826-01 196709941 tox21-ror-cho-viability-p1 set2 4 -1.21364781 -0.94324769 2.2715648 -1.00480108 -1.12387959 0.26029092 1.74330313 1.92488574 2.05736087 1.45135753 0.58899593 0.4044463 0.16904132 -0.34254327 -2.54604748 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80443-63-6 94684 144211856 A A 2-(2-(4-Chlorophenyl)ethyl)-2-(1,1-dimethylethyl)oxirane CC(C)(C)C2(CCc1ccc(Cl)cc1)CO2 Tox21_301539 -NCGC00259135-01 196709515 tox21-ror-cho-viability-p1 set2 4 1.17782397 1.62466179 -8.08100245 -4.71448201 -5.84085738 -2.61766664 -3.42262373 -5.40134613 -3.17177456 -2.50233682 -6.39867371 -5.23332697 -4.43368476 1.67544134 1.2834 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.558E-8 1.466E-7 3.279E-7 7.3319999999E-7 0.0000016389999999 0.0000036659999999 0.000008197 0.00001833 0.00004099 0.00009165 52645-53-1 40326 144208784 I I Permethrin Cl/C(Cl)=C/C3C(C(=O)OCc2cccc(Oc1ccccc1)c2)C3(C)C Tox21_201586 -NCGC00256160-01 196709937 tox21-ror-cho-viability-p1 set2 4 0.0015339689 10.0596906719 -8.0596906719 2 4.9549173134 0.4422542494 0.2346638444 -5.88307556 1.45232354 4.26697856 4.2261958 -2.99685829 5.63611249 2.00284253 2.03774881 1.48698863 3.98963729 1.16597099 2.2782759 3.19169816 2.53386529 -2.53582919 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 24168-70-5 520098 144212140 A A 2-sec-Butyl-3-methoxypyrazine COc1nccnc1C(C)CC Tox21_301823 -NCGC00255483-01 196710344 tox21-ror-cho-viability-p1 set2 4 1.7228934059 9.35706486 -9.35706486 0 3.9899729863 0.6991589857 0.0476165544 -12.26660082 -6.3154084 -12.79755405 -7.76780948 -3.81570361 -9.70457165 -6.9023576 -10.42285451 -12.71603901 -4.23229161 -1.23487955 2.36852321 -0.80750253 -1.73548545 -8.48559944 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19719-28-9 88209 144212249 A A 2,4-Dichlorophenylacetic acid Clc1cc(Cl)ccc1CC(=O)O Tox21_301932 -NCGC00255334-01 196710360 tox21-ror-cho-viability-p1 set2 4 2.90645271 0.61530046 1.49992235 0.92037934 0.68156762 -0.42598669 2.43794917 0.98332502 -0.57986827 1.01070238 0.3994978 -0.57573598 0.75652022 0.01292508 4.56675654 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1197-01-9 14529 144212452 D A p-Cymen-8-ol Cc1ccc(cc1)C(O)(C)C Tox21_302135 -NCGC00255135-01 196710366 tox21-ror-cho-viability-p1 set2 4 0.0024336516 10.272212684 -9.272212684 1 0.5999999999 0.4808861203 0.1991335665 -6.89351057 -1.33227488 -3.41689314 -2.58791309 0.95379801 -3.41357657 -0.98460138 3.56596697 0.82869259 0.38611503 4.60765664 -1.49343296 0.89657157 -0.34352767 -0.51086139 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 127-39-9 23683016 144212694 A Sodium 1,4-diisobutyl sulfosuccinate [Na+].O=S(=O)([O-])C(CC(=O)OCC(C)C)C(=O)OCC(C)C Tox21_302377 -NCGC00255385-01 196710369 tox21-ror-cho-viability-p1 set2 4 4.57110294 4.8092425 1.34029578 0.07184983 5.66060678 0.50581262 -1.57867074 -0.04749786 -0.7271498 -0.58426614 0.3920318 -0.47864432 -0.85483576 4.51741379 6.85845983 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 643-38-9 69508 144211547 A A 2,3-Quinolinedicarboxylic acid O=C(O)c1cc2ccccc2nc1C(=O)O Tox21_301230 -NCGC00255833-01 196710764 tox21-ror-cho-viability-p1 set2 4 -5.25054396 4.41691444 1.49661375 1.38535064 0.15426072 3.9166163 -0.7492349 0.22396302 0.26909839 1.43489794 3.36305597 -0.79103398 2.7839852 2.48629075 -0.41152092 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55107-14-7 99597 144211681 A Ac Methyl 4,4,4-trimethylacetoacetate CC(C)(C)C(=O)CC(=O)OC Tox21_301364 -NCGC00255588-01 196710772 tox21-ror-cho-viability-p1 set2 4 2.09598306 -0.14312799 0.87334352 0.81474193 0.43952475 1.53357072 0.71918606 0.32817387 0.5555049 -0.12777861 0.8721644 1.60751388 0.28522305 0.65000167 1.71996198 5.073E-10 1.134E-9 2.536E-9 5.6719999999E-9 1.268E-8 2.8359999999E-8 6.341E-8 1.418E-7 3.171E-7 7.0889999999E-7 0.0000015849999999 0.000003545 0.000007926 0.00001772 0.00003963 210631-68-8 11302979 144212758 A A Topramezone Oc1n(C)ncc1C(=O)c3ccc(c(C=2CCON=2)c3C)S(C)(=O)=O Tox21_302441 -NCGC00256151-01 196710778 tox21-ror-cho-viability-p1 set2 4 4.96269215 2.0674303 -0.13722088 0.74242093 -0.35799127 1.16286512 4.95704392 3.1331635 5.06981132 2.22266803 -1.86341823 0.11365968 -0.53939775 -2.56422249 0.75492552 1.177E-9 2.631E-9 5.884E-9 1.316E-8 2.942E-8 6.578E-8 1.471E-7 3.289E-7 7.355E-7 0.000001645 0.0000036769999999 0.000008223 0.00001839 0.00004111 0.000091939999999 3685-84-5 19379 144212715 A D Meclofenoxate hydrochloride Cl.Clc1ccc(OCC(=O)OCCN(C)C)cc1 Tox21_302398 -NCGC00256065-01 196710780 tox21-ror-cho-viability-p1 set2 4 -1.21068944 3.08014117 -6.2034072 -5.63175936 2.48275844 -1.06793021 -3.3239087 1.84035257 -5.88972195 -0.87767975 1.95137761 0.35359206 0.12839352 -0.25112116 -6.14630422 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 34443-12-4 61931 144211602 F F tert-Butylperoxy 2-ethylhexyl carbonate CC(C)(C)OOC(=O)OCC(CCCC)CC Tox21_301285 -NCGC00257748-01 196702606 tox21-ror-cho-viability-p1 set1 4 2.09803054 0.97960376 1.92679213 4.99554171 7.60931257 8.37991512 4.23246434 6.65329784 3.94386269 8.61310333 2.60019751 2.44969959 4.6148002 2.7235111 -0.13280162 1.1989999999E-9 2.6809999999E-9 5.9959999999E-9 1.3409999999E-8 2.998E-8 6.703E-8 1.4989999999E-7 3.352E-7 7.495E-7 0.000001676 0.000003747 0.0000083789999999 0.000018739999999 0.000041899999999 0.00009368 107-96-0 6514 144207392 A A 3-Mercaptopropanoic acid O=C(O)CCS Tox21_200194 -NCGC00257679-01 196702180 tox21-ror-cho-viability-p1 set1 4 0.39549234 0.57443389 1.43987323 2.06134897 -16.63807417 -0.67923036 1.27084253 2.56233394 2.36538558 4.8034063 1.10366714 2.93663691 -2.20381452 0.22917551 -0.07671694 1.202E-9 2.688E-9 6.01E-9 1.344E-8 3.005E-8 6.719E-8 1.5019999999E-7 3.36E-7 7.5119999999E-7 0.0000016799999999 0.0000037559999999 0.0000083989999999 0.00001878 0.00004199 0.0000939 823-40-5 13205 144207323 A A 2,6-Toluenediamine Nc1cccc(N)c1C Tox21_200125 -NCGC00258525-01 196702205 tox21-ror-cho-viability-p1 set1 4 0.0015417787 -11.6162315959 4 -7.6162315959 4.9549173134 0.3302780965 0.3553505704 2.33806938 -7.46382882 -3.76316039 -2.53724823 -10.22436341 -8.76193602 -13.01352633 -4.03890948 -1.72404402 -9.10230908 -5.5229726 -11.34819954 -12.61688714 -5.61397075 -3.16636681 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.961E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.000003701 0.000008275 0.0000185 0.00004137 0.000092519999999 58-94-6 2720 144208170 A A Chlorothiazide NS(=O)(=O)c2cc1c(N=CNS1(=O)=O)cc2Cl Tox21_200972 -NCGC00258080-01 196702597 tox21-ror-cho-viability-p1 set1 4 0.4703098066 3.73748844 0.26251156 4 4.9549173134 0.3797085964 0.2940163488 -4.3645737 -1.41926352 3.63575578 4.66354457 -0.02439759 -2.51994909 1.91112128 -1.45594981 6.29461585 5.77391047 3.6568975 3.80389052 4.29113118 -0.05918139 6.09334094 1.149E-9 2.569E-9 5.744E-9 1.284E-8 2.872E-8 6.422E-8 1.436E-7 3.211E-7 7.1799999999E-7 0.000001606 0.0000035899999999 0.000008028 0.00001795 0.00004014 0.00008975 629-08-3 12372 144207724 A A Heptanenitrile CCCCCCC#N Tox21_200526 -NCGC00254229-01 196720454 tox21-ror-cho-viability-p1 set3 4 3.1082481648 -13.5 17.5 4 2.3331733767 0.5652594076 0.1230766126 11.54889211 12.29784378 20.27725685 9.43455842 15.11523664 17.23573226 22.63571134 19.24292164 21.73034576 25.79852178 4.59349694 0.08532003 7.67858092 5.55164674 4.27918935 1.085E-9 2.427E-9 5.427E-9 1.213E-8 2.713E-8 6.067E-8 1.3569999999E-7 3.034E-7 6.783E-7 0.0000015169999999 0.000003392 0.0000075839999999 0.00001696 0.00003792 0.00008479 200940-23-4 15981450 144210536 A A SB243213A Cl.Cc4ncccc4Oc1ccc(cn1)NC(=O)N3CCc2cc(C)c(cc23)C(F)(F)F Tox21_300216 -NCGC00254916-01 196720441 tox21-ror-cho-viability-p1 set3 2.4 11.0528799502 29.7745921559 -13.7745921559 16 0.3 0.7694760425 0.0142315938 -13.61329545 -16.06216013 -8.89258241 -6.56150054 -6.72114184 -7.30521334 -9.95826715 -7.36853119 -1.07785521 -4.93443225 0.50497757 -2.74193903 0.39990538 -0.34440773 11.49904987 1.087E-9 2.431E-9 5.436E-9 1.215E-8 2.718E-8 6.077E-8 1.359E-7 3.039E-7 6.794E-7 0.0000015189999999 0.000003397 0.000007596 0.000016989999999 0.000037979999999 0.00008493 609-54-1 11868 144211331 A A 2,5-Dimethylbenzenesulfonic acid Cc1ccc(C)cc1S(O)(=O)=O Tox21_301014 -NCGC00095042-06 196720449 tox21-ror-cho-viability-p1 set3 4 0.0032296517 12.796585848 -14.796585848 -2 0.5 0.4018636625 0.2726731323 -10.66382154 -9.71130152 -6.1054642 -3.37860055 -8.2732418 -5.11594832 0.98599897 -4.88447716 -5.49517032 0.89655171 -3.10730938 -6.05567247 -6.16142542 -1.43152333 -2.94798006 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00254888-01 196720450 tox21-ror-cho-viability-p1 set3 4 0.8634921799 -11.649959092 -2 -13.649959092 4.4494702849 0.3939827074 0.2771987825 -1.45737722 -10.64002823 3.57027906 -8.12944427 -1.71161628 -1.3317645 2.06806468 0.7042456 -4.39233515 -21.21634736 -8.27160216 -20.5679505 3.21612371 -22.62496591 -11.90592901 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-46-6 2723622 144211303 A A N,N'-Dibutylthiourea CCCCNC(=S)NCCCC Tox21_300986 -NCGC00254949-01 196720457 tox21-ror-cho-viability-p1 set3 -2.4 61.130564862 -27.057015084 -6.1595225199 -33.2165376039 0.6 0.8275031292 0.004246129 -5.96236591 -7.84406877 -8.63470659 -7.30760884 -5.03436361 -7.90070558 -1.7996021 -7.09686081 -6.84155966 -12.198048 -9.72835641 -13.49516329 -14.55276984 -14.93240582 -24.34711467 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141517-21-7 213016 144211364 A A Trifloxystrobin FC(F)(F)c1cccc(c1)C(\C)=N\OCc2ccccc2C(=N\OC)/C(=O)OC Tox21_301047 -NCGC00254735-01 196720874 tox21-ror-cho-viability-p1 set3 4 -1.23925561 12.65152519 -3.4588154 3.46706168 -0.23237916 -0.25047633 -0.45538357 6.1206334 5.51290661 10.53132818 7.28182221 -5.71395776 4.00988096 -1.64135604 -1.06434454 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 5902-51-2 22188 144211148 A A Terbacil O=C1NC(C)=C(Cl)C(=O)N1C(C)(C)C Tox21_300831 -NCGC00091586-02 196721259 tox21-ror-cho-viability-p1 set3 4 -6.40478902 -4.21810212 -4.6142415 -8.23705141 -5.94762271 -2.05160315 -1.8152108 -6.73054121 -9.96783534 0.79844753 -0.98155086 -12.54378536 -6.82807486 -2.309288 -14.36313837 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00259613-01 196721265 tox21-ror-cho-viability-p1 set3 4 -6.10236191 -3.66128464 -2.07945553 7.26606103 -1.68990134 -8.03877756 -5.57024671 -5.56934521 -6.56372971 -3.85620955 -5.56296764 -4.33104745 -5.89971489 -1.40671025 -1.77683418 1.1139999999E-9 2.49E-9 5.569E-9 1.2449999999E-8 2.784E-8 6.226E-8 1.3919999999E-7 3.113E-7 6.961E-7 0.0000015569999999 0.000003481 0.000007783 0.0000174 0.000038909999999 0.00008701 37764-25-3 37829 144209262 A A Dichlormid ClC(Cl)C(=O)N(CC=C)CC=C Tox21_202064 -NCGC00257528-01 196719629 tox21-ror-cho-viability-p1 set3 4 0.0000503896 -24.59853833 -23.27575132 -12.90304523 -4.47253878 -0.15905407 5.83985413 9.8694283 5.75723145 10.94060043 14.56092865 15.59169229 5.62830628 5.61017504 3.96965739 7.86318372 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25899-50-7 6433944 144211454 FC (2Z)-2-Pentenenitrile CC\C=C/C#N Tox21_301137 -NCGC00090702-02 196719196 tox21-ror-cho-viability-p1 set2 4 0.5919549 0.55141349 1.22872472 3.9886193 1.7363853 6.10670601 3.51944952 8.19550582 4.32982557 2.55413081 9.25234747 0.93398481 2.7365307 -0.5698052 0.85173282 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00257467-01 196719203 tox21-ror-cho-viability-p1 set2 4 -0.41535658 -0.81276415 0.12146013 0.35980901 5.82774344 3.44380256 0.77902406 3.36381467 6.158635 3.95968433 -0.71342179 -1.63727167 0.13514436 0.94885956 3.22027031 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-86-6 8861 144213714 B B 2,6-Diaminopyridine Nc1cccc(N)n1 Tox21_303403 -NCGC00254772-01 196719628 tox21-ror-cho-viability-p1 set3 4 -0.63324611 2.53600599 6.11027337 10.89197922 -5.59078842 -5.13314476 -6.19090487 4.68848934 -4.10650493 -6.51314755 11.12432132 5.80869166 12.57245549 1.83348778 1.65810682 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77501-63-4 62276 144211185 A A Lactofen Clc2cc(ccc2Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+]([O-])=O)C(F)(F)F Tox21_300868 -NCGC00167510-02 196717339 tox21-ror-cho-viability-p1 set2 4 1.6785492 -5.4651704279 3.5 -1.9651704279 1.24751 0.4784578621 0.2003488685 0.62197182 0.35619039 2.81346688 4.29549008 7.84702094 2.99090885 8.09068047 3.92269628 1.16434329 2.02628563 -0.4396384 1.16141466 -0.34098867 -4.55430869 -0.68382868 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 148016-81-3 73303 170465085 F Doripenem O[C@H](C)[C@H]3C(=O)N2C(=C(S[C@H]1C[C@@H](CNS(N)(=O)=O)NC1)[C@H](C)[C@@H]23)C(=O)O Tox21_112508_1 -NCGC00179244-03 196716924 tox21-ror-cho-viability-p1 set2 4 0.34316719 -2.6900711 -3.06114763 -2.70291663 0.34063927 -1.14879195 -3.16776696 -1.09515554 0.37206398 -3.30287124 -2.18364136 -0.6292651 -0.40183728 -2.39490724 0.07808538 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 130693-82-2 6918132 170465119 Z Dorzolamide hydrochloride Cl.NS(=O)(=O)c1cc2[C@H](C[C@H](C)S(=O)(=O)c2s1)NCC Tox21_110720_1 -NCGC00163843-03 196716926 tox21-ror-cho-viability-p1 set2 4 -0.18694497 0.80709623 1.77323431 1.7027746 6.90546796 3.74919195 2.03525577 2.87280852 1.25507247 0.82778725 1.35117593 -0.82738159 -1.30423655 -0.95341318 -0.62498861 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00016308-06 196716945 tox21-ror-cho-viability-p1 set2 4 -0.09651261 1.27795684 0.11323854 1.83134462 -6.39106079 1.25632002 -3.77983174 -4.07279247 1.77770655 -1.42434106 -2.52662362 -3.04070159 -3.67542803 -4.4297775 -2.77042399 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7492-32-2 3775 170465291 A Isopropamide CC(C)[N+](C)(CCC(c1ccccc1)(C(N)=O)c2ccccc2)C(C)C Tox21_110362_1 -NCGC00090780-04 196717345 tox21-ror-cho-viability-p1 set2 4 2.15251314 3.45911693 1.05282637 2.16017807 5.01427129 6.33019641 -0.07703269 4.30601471 0.36466907 -0.11337018 3.46605167 3.35812862 0.39131302 1.59676531 0.30855674 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00094532-06 196717346 tox21-ror-cho-viability-p1 set2 4 0.33820882 1.48258142 0.0043303 5.31028941 5.60697377 2.86521679 7.1920018 10.96709341 4.12825372 1.42650437 0.88934064 0.16852033 2.24787324 1.88612485 0.89887225 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00179594-03 196717348 tox21-ror-cho-viability-p1 set2 4 -1.02468083 1.89043848 0.73551008 1.03261097 -2.12679931 -0.66879718 1.38094731 -5.69758702 -0.06555857 -0.14639687 1.84077728 -0.83627555 0.12541693 -0.97031283 -0.86057619 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66309-69-1 20848883 170465103 A Cefotiam hydrochloride Cl.Nc1scc(n1)CC(=O)N[C@@H]4C(=O)N3C(=C(CSc2nnnn2CCN(C)C)CS[C@@H]34)C(=O)O Tox21_110730_1 -NCGC00090789-02 196717349 tox21-ror-cho-viability-p1 set2 4 0.27311345 -0.60143876 -1.7066894 0.97573243 -3.06923428 0.57058019 -0.5357034 -1.11330057 0.41580436 1.24309941 1.11636443 -0.47090805 -3.47964528 0.01526814 3.95657625 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00018221-08 196714037 tox21-ror-cho-viability-p1 set2 4 0.45727415 1.15416146 0.17110568 0.79356092 -1.24267607 -0.53329307 2.41204196 -0.23008873 0.18924081 -0.53333786 1.06618893 1.21457355 0.98117022 2.62245508 -4.93201014 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00016530-07 196713623 tox21-ror-cho-viability-p1 set2 4 4.86507441 -0.75329403 0.09384123 0.25777087 -2.2297745 5.07458329 -0.11765047 4.69245308 -2.11497335 4.70003639 4.35158527 -0.90763159 1.75268468 -1.25164683 -3.30056141 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 651-06-9 5326 170465428 A Sulfameter O=S(=O)(Nc1ncc(cn1)OC)c2ccc(N)cc2 Tox21_110478_1 -NCGC00179619-06 196713628 tox21-ror-cho-viability-p1 set2 4 5.01373997 7.0396236 3.11429843 3.6970462 4.2015383 3.63093066 4.11451895 1.54555687 1.42493934 2.51640499 -0.73126277 5.30262611 1.59081833 6.46110694 0.01629451 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 134-36-1 71277 170465433 F Erythromycin propionate CCC(=O)O[C@@H]3[C@H](C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](C)[C@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)N(C)C Tox21_113189_1 -NCGC00168759-05 196713630 tox21-ror-cho-viability-p1 set2 4 16.7854920005 -17.514232124 1 -16.514232124 1.9673362061 0.9237466887 0.0000816332 -0.14253075 4.53154745 0.7823259 2.45027392 0.79528367 2.85456674 -0.6339688 0.19223685 0.80223155 0.70215148 -0.22261655 0.04507635 -2.06087432 -10.14135513 -14.17852677 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 775304-57-9 11219835 170466862 A PTC-124 O=C(O)c1cccc(c1)c2nc(on2)c3ccccc3F Tox21_112631_1 -NCGC00091650-03 196714044 tox21-ror-cho-viability-p1 set2 4 -3.45058152 1.53457071 -5.47513754 -3.42558803 -6.83749863 -0.98739707 -7.32280672 -0.7863544 -5.02741206 2.49089515 -2.90995867 -1.61750385 0.30395663 0.51324171 -5.88117468 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00163815-04 196726400 tox21-ror-cho-viability-p1 set3 -2.1 58.1036241395 -85.5152961728 -3.4140882319 -88.9293844047 1.9673362061 0.9733597042 2.468E-7 1.39134868 -0.34281474 -1.32241052 -4.90085774 -4.57703289 -6.82107964 -5.48202757 -6.53304644 -0.11277919 -4.51979626 -4.49583827 -5.97641755 -16.25886716 -29.98182099 -67.74953364 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.00009723 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00256538-01 196726392 tox21-ror-cho-viability-p1 set3 4 0.273060203 5.883821752 -4.883821752 1 4.9549173134 0.5785316399 0.1138716492 -8.34407648 -1.78546933 -5.37907834 -9.06985146 -0.98355122 -1.1655765 -8.72477158 0.37857708 1.74590336 1.05025272 -0.29572299 0.10201689 0.3731752 0.68332275 2.31919298 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 120-58-1 8439 144213263 A D Isosafrole CC=Cc1ccc2OCOc2c1 Tox21_302946 -NCGC00091643-08 196726396 tox21-ror-cho-viability-p1 set3 4 43.2771256911 -19.122568356 1 -18.122568356 3.0654483358 0.8745808358 0.0009852701 -0.92793331 -1.28026123 -0.93279709 -1.42495819 0.72931754 0.0322377 1.08613983 0.73394435 0.6536454 4.95525389 3.68725171 1.30612591 1.11126333 -8.87829125 -15.93547363 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00256363-01 196726803 tox21-ror-cho-viability-p1 set3 4 -0.29177804 0 -2.05639897 -1.8121305 -4.76666589 -1.82364983 -4.69154935 -2.95337687 0 0 0 0.74515424 -2.5879597 -1.66768722 -4.05605001 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1114-71-2 14215 144213185 A A Pebulate O=C(SCCC)N(CCCC)CC Tox21_302868 -NCGC00256642-01 196726808 tox21-ror-cho-viability-p1 set3 4 -4.06842531 0.61844255 1.3821083 1.19022458 0.48690905 0 -4.33233893 -6.78771048 -1.03594107 0 0 -2.50844873 1.0079759 0.22141903 1.52194172 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16728-49-7 85576 144212767 A D 3-(Octyloxy)propanenitrile CCCCCCCCOCCC#N Tox21_302450 -NCGC00257100-01 196727221 tox21-ror-cho-viability-p1 set3 4 1.25458793 0.32919948 2.06985129 1.7144933 -1.83562248 1.04261461 -0.07348438 -0.87226241 -0.18595173 3.26225502 0.50940585 2.11064412 -1.33933971 -1.27624512 2.14746104 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 538-93-2 10870 144213371 F Fns Isobutylbenzene CC(C)Cc1ccccc1 Tox21_303054 -NCGC00091278-03 196727227 tox21-ror-cho-viability-p1 set3 4 -1.45850217 0.15086588 0.10372786 -0.22245232 -4.90823228 0.20090634 -2.24693653 -3.8461646 -0.28762498 -2.7618359 0.92848778 -1.65265886 -1.23271637 -4.8339813 -7.47474573 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00254009-01 196698732 tox21-ror-cho-viability-p1 set1 -1.2 17.2289340586 -46.7208413008 -0.490329137 -47.2111704378 4.9549173134 0.9615065568 0.0000019777 0.63180887 0.63275079 -6.45655452 0.52398781 -4.87460449 0.28811711 1.26488898 1.04383056 -0.25423124 0.93929067 -0.41341669 0.73560986 -26.66571102 -53.63840239 -40.82406567 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-95-6 8455 144210410 Ac Ac 2,4-Bis(2-methylbutan-2-yl)phenol Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC Tox21_300090 -NCGC00091602-02 196697915 tox21-ror-cho-viability-p1 set1 4 67.7534495245 -10.942929868 2 -8.942929868 2.3531167061 0.5322259195 0.1531579689 -0.05077544 1.18194244 3.8160528 1.10518044 0.27431112 3.84572472 0.68542941 6.852052 3.70676089 0.93896336 1.43826642 3.80632275 -0.80055945 -0.0046036 -5.78577489 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00163919-02 196698325 tox21-ror-cho-viability-p1 set1 4 22.1982507526 -6.8501350479 2 -4.8501350479 4.9549173134 0.6291427272 0.078652423 2.47451931 1.0256271 0.85854153 0.59671455 0.50305224 0.43127106 5.72888666 0.62358328 0.63813407 0.09447908 4.86619958 4.5767553 0.15473931 -4.87511254 -4.76759939 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00181109-03 196698328 tox21-ror-cho-viability-p1 set1 4 0.5308038638 11.1040774999 -6.1040774999 5 0.5 0.5924968761 0.1035979862 -6.3741343 -2.86295015 -7.07229688 -5.30204897 -6.8732443 -3.94096229 -7.58673125 -6.55426743 -1.36760891 -1.46068132 0.02456629 -6.01305171 3.02868673 0.02472179 2.57953578 5.899E-11 1.319E-10 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 18507-89-6 29112 170466244 F Decoquinate O=C(OCC)c1cnc2cc(OCC)c(cc2c1O)OCCCCCCCCCC Tox21_112723_1 -NCGC00254733-01 196698741 tox21-ror-cho-viability-p1 set1 4 -1.0400737 3.27872985 2.16149291 1.04657047 0.25657095 1.98752297 0.67895171 2.94422248 1.88215073 0.69272409 -0.17435303 -1.73932544 -0.88625123 0.42220364 0.61881141 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21662-09-9 5362620 144211146 A Ac (4Z)-4-Decenal CCCCC\C=C/CCC=O Tox21_300829 -NCGC00090760-08 196698742 tox21-ror-cho-viability-p1 set1 -2.2 68.1713220381 -52.1526888668 -6.15105029 -58.3037391568 3.5117481694 0.8986485731 0.0003446623 -10.79428365 -3.30950672 -8.09825811 -1.99656506 -2.06039047 -8.90602028 -7.28925077 -4.13083904 -6.76181586 -13.58304648 -3.17235819 -3.43934617 -4.27690057 -14.62087153 -44.54828724 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00167434-02 196722414 tox21-ror-cho-viability-p1 set3 4 0.5802427558 8.038568004 -2.538568004 5.5 4.4494702849 0.5934750235 0.1021334694 0.74392644 -0.63660348 -1.37034732 -0.22458913 -3.78021567 -3.05582294 -2.82486118 -0.29537853 -5.74833055 -6.69880667 10.96935944 1.97575781 3.82366669 3.96325353 7.99364142 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 100299-08-9 443866 170465431 A Pemirolast potassium [K+].CC3=CC=CN1C3=NC=C(C1=O)c2[n-]nnn2 Tox21_112438_1 -NCGC00259929-01 196722011 tox21-ror-cho-viability-p1 set3 4 34.7611482439 6.98037192 -4.48037192 2.5 4.9549173134 0.4633827793 0.2149077387 -6.55039356 -1.71357196 -1.47744893 -0.31375885 -7.2723795 -4.82588819 -4.07651851 -4.83520832 -5.55192559 -1.87770554 -4.12406273 -8.3169766 -4.20141528 0.65354141 2.43848896 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.977E-8 6.656E-8 1.4879999999E-7 3.3279999999E-7 7.441E-7 0.0000016639999999 0.000003721 0.00000832 0.0000186 0.0000416 0.000093019999999 108-91-8 7965 144209578 AC Fns Cyclohexylamine NC1CCCCC1 Tox21_202380 -NCGC00258871-01 196722022 tox21-ror-cho-viability-p1 set3 4 -19.26385058 -13.54589999 -5.3441588 -5.69770361 -7.85302163 -13.96265679 -9.61043565 -8.75907973 -5.75345219 -1.22004371 -11.14287167 -8.39254433 -11.43658365 -2.42814164 -6.03087063 1.219E-9 2.725E-9 6.093E-9 1.3619999999E-8 3.046E-8 6.8119999999E-8 1.5229999999E-7 3.406E-7 7.616E-7 0.000001703 0.000003808 0.000008515 0.000019039999999 0.00004257 0.0000952 94-81-5 7207 144208517 A A MCPB Clc1cc(C)c(OCCCC(=O)O)cc1 Tox21_201319 -NCGC00095762-04 196722409 tox21-ror-cho-viability-p1 set3 4 33.4914596268 35.956711996 2.043288004 38 0.7999999999 0.6011533721 0.0960333675 0.79631283 2.88183144 5.66170704 -0.00881898 10.00875103 2.45912806 -0.70584992 -1.63059333 6.41324609 12.32000932 8.102703 9.06576104 5.11293814 10.62645666 29.66036973 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60-27-5 588 170466777 Z Creatinine N=C1NC(=O)CN1C Tox21_111516_1 -NCGC00091575-03 196722418 tox21-ror-cho-viability-p1 set3 4 0.1883363179 -7.7823972479 7 -0.7823972479 4.9549173134 0.4791683009 0.2144611921 -5.23533104 10.34276684 8.11021288 6.01981811 10.90883366 10.24560141 9.74436203 4.58871147 -3.30381413 0.79947838 -1.65135139 -0.05783498 -3.50439872 2.49936939 8.51212784 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-96-2 7211 170465521 F 2-Ethyl-1,3-hexanediol CCCC(O)C(CC)CO Tox21_111152_1 -NCGC00160402-02 196722423 tox21-ror-cho-viability-p1 set3 4 0.2371013766 -18.0410033779 28.0410033779 10 4.9549173134 0.7407822364 0.0223266837 35.44184105 25.81144505 22.05128021 27.56078691 39.23500563 17.95877664 25.93033878 26.47978232 8.13484688 10.1383038 7.29799631 11.06699061 7.72583226 10.81254633 15.99489899 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 577-91-3 11350 170466600 A Iodoalphionic acid Ic2cc(CC(c1ccccc1)C(=O)O)cc(I)c2O Tox21_111790_1 -NCGC00257367-01 196718138 tox21-ror-cho-viability-p1 set2 4 10.8707224818 -18.063954612 -1 -19.063954612 2.4063783767 0.9542151007 0.0000052167 -1.61695582 -0.42414281 -2.43056689 -1.92342082 0.98120736 -2.10769131 0.62381298 -0.64498116 -2.40631532 -0.15907239 -1.33958621 -7.58584772 -14.82408165 -21.30329551 -16.30479661 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 486-66-8 5281708 144213952 A A Daidzein Oc1ccc(cc1)C3=COc2cc(O)ccc2C3=O Tox21_303650 -NCGC00259314-01 196721847 tox21-ror-cho-viability-p1 set3 4 -6.65823588 -4.08060663 -4.08310868 2.97677758 -9.74772961 -4.8666739 -4.97036023 -4.88598729 -5.39114907 -1.21564141 -3.84877156 -4.67966754 -5.11028255 -9.45499518 -21.11535629 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.00004119 0.000092099999999 607-57-8 11831 144208963 A A 2-Nitrofluorene [O-][N+](=O)c1ccc2c3ccccc3Cc2c1 Tox21_201765 -NCGC00259194-01 196721848 tox21-ror-cho-viability-p1 set3 4 26.7239175515 14.1706764719 -0.1706764719 14 0.5 0.3701545021 0.3013052104 -4.30889706 -4.15411025 9.00403434 0.89130399 3.39525082 -2.76008954 -0.86319335 -1.63175 7.36014168 0.52492004 5.68398734 4.53314082 1.46388056 10.34011032 9.28631075 1.159E-9 2.592E-9 5.795E-9 1.2959999999E-8 2.898E-8 6.479E-8 1.449E-7 3.24E-7 7.244E-7 0.00000162 0.000003622 0.000008099 0.000018109999999 0.00004049 0.000090549999999 372-09-8 9740 144208843 A A Cyanoacetic acid N#CCC(=O)O Tox21_201645 -NCGC00259041-01 196722233 tox21-ror-cho-viability-p1 set3 4 40.9360582741 10.015485204 -5.515485204 4.5 3.0654483358 0.3708068403 0.3013135501 -4.90105856 -8.21773211 -1.27981019 -8.30076112 -5.34597742 -4.70229378 -7.15109631 -8.0912158 -6.018636 4.1838176 -3.02081734 -8.34623767 -6.94156766 0.92822998 3.44319137 1.2399999999E-9 2.772E-9 6.198E-9 1.386E-8 3.099E-8 6.929E-8 1.549E-7 3.4649999999E-7 7.747E-7 0.0000017319999999 0.000003874 0.000008662 0.00001937 0.00004331 0.00009684 75-86-5 6406 144208688 A Bc 2-Hydroxy-2-methylpropanenitrile N#CC(C)(C)O Tox21_201490 -NCGC00182030-01 196717308 tox21-ror-cho-viability-p1 set2 4 1.69941765 2.87807067 2.67002354 2.52817876 3.48300335 4.70707564 3.54257447 2.97148357 0.4593522 -1.57438562 -0.7295312 -1.02992129 -2.51178756 0.00909091 0.1097547 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 28002-18-8 45357485 144206509 B B Sulbenicillin disodium [Na+].[Na+].O=C([O-])[C@@H]2N3C(=O)[C@@H](NC(=O)[C@@H](c1ccccc1)S([O-])(=O)=O)[C@H]3SC2(C)C Tox21_112956 -NCGC00015691-06 196717718 tox21-ror-cho-viability-p1 set2 4 2.14182514 1.04192499 3.66254554 6.96854839 1.96624411 8.05503726 5.86502401 3.73015129 5.24603535 -0.20411381 1.85068084 1.23379609 1.42498077 0.17755001 -0.39918586 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 156-57-0 9082 170466795 F Cysteamine hydrochloride Cl.NCCS Tox21_111245_1 -NCGC00091839-03 196717723 tox21-ror-cho-viability-p1 set2 -3 76.9588215421 -43.253701553 -2.5 -45.753701553 4.9549173134 0.8562372601 0.0018542381 1.29382079 -6.15060185 -1.62292399 -1.04192136 -7.39187448 -7.23485833 -6.72108565 -5.6074164 -0.15383467 -0.2535191 1.32730196 0.25801132 -0.7268551 0.72942466 -36.31246155 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00257169-01 196718143 tox21-ror-cho-viability-p1 set2 4 -0.95956635 1.35402613 2.24470169 0.73402303 0.44935147 3.57037132 2.61061146 -1.16437092 2.92096179 0.25981505 5.73858559 3.93727156 -1.93158986 -0.0190412 3.44606108 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-77-3 31269 144213581 F Ac Azodicarbonamide NC(=O)/N=N/C(N)=O Tox21_303264 -NCGC00257053-01 196718545 tox21-ror-cho-viability-p1 set2 4 3.8570778872 7.026985516 -2.026985516 5 1.826479391 0.4119874585 0.2784761212 0.99014878 -0.54203124 1.5565992 -6.70115325 2.19554926 -7.52248793 -5.75206249 1.20149574 -4.18709298 0.03967781 0.71048175 5.16013828 1.54415688 7.06432653 1.18308403 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-18-5 7486 144213534 A Fns 1,4-Diisopropylbenzene CC(C)c1ccc(cc1)C(C)C Tox21_303217 -NCGC00256419-01 196718553 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -21.91272042 -3 -24.91272042 3.9294729863 0.5654433261 0.1232684187 -4.71065173 1.30926903 -1.73991015 -1.2781634 -5.85280275 -14.04265788 -0.72154996 -1.99531477 -2.66686765 -5.03095567 -0.532983 1.56689329 -0.10049913 -6.04661487 -19.51060035 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 520-36-5 5280443 144213201 A A Apigenin Oc1ccc(cc1)C3=CC(=O)c2c(cc(O)cc2O)O3 Tox21_302884 -NCGC00256348-01 196718556 tox21-ror-cho-viability-p1 set2 4 0.83989791 -6.94808506 -1.4434281 -1.68263338 -6.37037621 -10.62756344 -2.02881319 -4.84568354 0.32849724 -5.9699649 -0.42410555 -2.46314369 -2.4454705 -1.68357782 -0.32836238 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-72-9 798 144213254 A A Indole c1cccc2nccc12 Tox21_302937 -NCGC00260238-01 196724470 tox21-ror-cho-viability-p1 set3 4 0.0021977006 7.8689187919 -6.8689187919 1 3.9294729863 0.3401342016 0.3476047522 -6.14076566 -1.90620513 2.3262222 3.23555578 -0.26616485 5.44328895 7.21961883 0.19419876 -0.3050615 -2.50696131 1.18673469 0.51051895 -3.99796994 1.07335438 8.31549504 1.193E-9 2.667E-9 5.9649999999E-9 1.3339999999E-8 2.982E-8 6.669E-8 1.491E-7 3.3339999999E-7 7.456E-7 0.0000016669999999 0.000003728 0.000008336 0.00001864 0.00004168 0.0000932 343952-33-0 11492406 144209888 A A 1-Butyl-4-methylpyridinium tetrafluoroborate Cc1cc[n+](CCCC)cc1.F[B-](F)(F)F Tox21_202690 -NCGC00357198-01 196724483 tox21-ror-cho-viability-p1 set3 4 -7.19415091 0.65553633 1.01333293 6.03110457 7.95097989 5.92057399 4.70050785 6.24375911 5.93032639 -5.36225051 -0.19233684 2.08808809 -3.44600561 -3.35159013 5.16341583 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-29-8 8173 251919855 A 1-Bromodecane BrCCCCCCCCCC Tox21_303974 -NCGC00260306-01 196724880 tox21-ror-cho-viability-p1 set3 4 0.000996251 8.029803148 -5.029803148 3 2.9522712143 0.5518036851 0.1356389217 -4.60816929 -3.75233126 0.70177416 2.30479982 4.20172717 5.90768956 5.10061568 3.28963127 6.88065398 4.08200097 -0.19681861 3.51650484 -0.49327097 -1.6141142 3.83830829 2.602E-10 5.8189999999E-10 1.301E-9 2.9099999999E-9 6.506E-9 1.455E-8 3.253E-8 7.274E-8 1.627E-7 3.637E-7 8.133E-7 0.0000018189999999 0.000004066 0.000009093 0.000020329999999 92-94-4 7115 144209957 A 1,1':4',1''-Terphenyl c1cc(ccc1)c2ccc(cc2)c3ccccc3 Tox21_202759 -NCGC00168085-05 196725299 tox21-ror-cho-viability-p1 set3 -1.1 6.6824247267 -74.1801337222 -2.798410665 -76.9785443872 1.6266150999 0.9807302566 3.83E-8 0 -11.1121196 -2.61863986 -4.1867981 1.61867866 1.78823969 1.38326384 -5.90272146 -2.39752496 -7.19094419 -13.06040564 -24.28649884 -51.67537647 -67.92373917 -71.19586696 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 149647-78-9 5311 170465180 A Vorinostat (SAHA) O=C(Nc1ccccc1)CCCCCCC(=O)NO Tox21_112605_1 -NCGC00090773-04 196706144 tox21-ror-cho-viability-p1 set1 4 5.06816485 1.24206275 0.46554162 0.83825524 -0.57367134 0.03949475 1.02259823 -0.93508521 5.1830707 7.14975976 1.32951378 2.93426742 0.27309846 3.45999753 -2.14995674 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00159417-06 196705720 tox21-ror-cho-viability-p1 set1 -2.2 39.4746922522 -51.49558476 -5.658137409 -57.153722169 1.9673362061 0.8627570541 0.0091559306 -20.51483794 -0.16079566 -11.57962249 -18.40412652 -2.4039964 -3.83062678 -7.27402051 -10.49717306 -6.03026847 -2.98398669 0.54831314 -13.99836621 -12.50358859 -32.43847853 -56.03306095 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00259246-01 196705730 tox21-ror-cho-viability-p1 set1 4 2.35115715 0.74432432 1.7929698 0.0963577 4.81408365 1.88909207 1.33857605 0.41576064 1.73067981 10.78091493 2.06378781 1.92652946 -2.94924168 1.93079016 1.66644058 1.2069999999E-9 2.7E-9 6.037E-9 1.3499999999E-8 3.0179999999E-8 6.7489999999E-8 1.509E-7 3.375E-7 7.546E-7 0.000001687 0.000003773 0.000008436 0.00001886 0.00004218 0.000094319999999 110-80-5 8076 144208895 A A 2-Ethoxyethanol CCOCCO Tox21_201697 -NCGC00259089-01 196706143 tox21-ror-cho-viability-p1 set1 4 0.8351534 -0.34190822 -1.38111471 -1.38437089 1.01171383 -3.69554801 -0.969991 0.16559062 5.17626463 -0.29684192 -1.05856647 0.33924352 0.64981293 0.80447258 2.60317386 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004132 0.0000924 1934-21-0 5359657 144208737 A F FD&C Yellow 5 [Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)/N=N/C3=C(NN(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O Tox21_201539 -NCGC00259083-01 196706152 tox21-ror-cho-viability-p1 set1 4 3.94061178 6.10271673 -9.8091588 0.62835379 2.9176528 -5.53829215 1.64841725 1.95156203 7.13302943 -0.09239119 2.59104509 2.77918018 0.32767515 1.58482625 2.25478689 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.96E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 123-07-9 31242 144208731 A Ac 4-Ethylphenol CCc1ccc(O)cc1 Tox21_201533 -NCGC00259292-01 196706548 tox21-ror-cho-viability-p1 set1 4 0.0013768975 -17.506127928 18 0.493872072 4.9549173134 0.3662035873 0.3049809876 12.79444624 -1.81775819 -2.57076122 4.40733259 7.59093218 -1.03359085 2.0232032 -1.25797124 2.64678956 7.40795872 2.5420346 -0.06279331 -1.28887217 -8.33843994 -1.59376508 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.6299999999E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008287 0.00001853 0.000041439999999 0.00009265 80-09-1 6626 144208941 A A 4,4'-Sulfonyldiphenol Oc1ccc(cc1)S(=O)(=O)c2ccc(O)cc2 Tox21_201743 -NCGC00259964-01 196706550 tox21-ror-cho-viability-p1 set1 4 4.13381563 0.75740931 0.72886895 3.81049753 1.49002095 2.798768 2.2713008 -0.82771961 0.56718647 6.80777862 -0.81851478 4.92124621 1.96286867 2.94227779 0.15196865 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041229999999 0.00009218 90-43-7 7017 144209613 A A 2-Phenylphenol Oc2ccccc2c1ccccc1 Tox21_202415 -NCGC00178238-05 196704498 tox21-ror-cho-viability-p1 set1 4 -4.22317401 -4.74315931 -2.0219941 -0.53666134 -1.15944371 -2.80099396 -2.18377419 -2.3806102 -3.67791237 -3.62021757 -1.11369817 -2.33014398 -0.40346044 -0.18438747 2.89246047 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3092-17-9 18340 170464672 A Midodrine hydrochloride Cl.COc1ccc(cc1C(O)CNC(=O)CN)OC Tox21_110529_1 -NCGC00260501-01 196704091 tox21-ror-cho-viability-p1 set1 4 2.22458212 -0.32572667 0.47887676 0.51874329 0.1897358 0.37994104 -2.39964065 -0.19437167 -2.419232 0.13090906 1.87366105 -2.89737269 4.15151333 0.80079264 1.50750855 1.173E-9 2.624E-9 5.867E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.28E-7 7.3329999999E-7 0.0000016399999999 0.000003667 0.0000081989999999 0.00001833 0.000041 0.00009167 99-61-6 7449 144210153 A A 3-Nitrobenzaldehyde O=[N+]([O-])c1cc(C=O)ccc1 Tox21_202955 -NCGC00357031-01 196704098 tox21-ror-cho-viability-p1 set1 4 1.85984857 -0.18348556 -0.96022553 -0.97045041 -11.62500184 -3.74696429 -5.28594744 -9.12346458 -0.7791985 -4.59301707 -0.38667326 0.11883614 0.94870177 1.20792003 -11.22948218 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-46-6 6539 251919946 A Dibutyl butylphosphonate CCCCOP(=O)(OCCCC)CCCC Tox21_303718 -NCGC00260431-01 196704102 tox21-ror-cho-viability-p1 set1 4 62.7504391339 -17.6621266919 2 -15.6621266919 4.9549173134 0.5519869504 0.1342339423 2.64601462 4.17822313 2.41004131 1.35432321 -3.30461042 -5.96335816 5.84562887 2.17931875 5.54785713 0.09627182 4.37666594 -2.4762799 6.77573851 -0.61425557 -13.46843891 1.206E-9 2.697E-9 6.0299999999E-9 1.348E-8 3.0149999999E-8 6.7419999999E-8 1.5079999999E-7 3.371E-7 7.538E-7 0.000001685 0.000003769 0.0000084269999999 0.00001884 0.00004214 0.000094219999999 1504-74-1 641298 144210083 A A 2-Methoxycinnamaldehyde COc1ccccc1/C=C/C=O Tox21_202885 -NCGC00091775-03 196704504 tox21-ror-cho-viability-p1 set1 -1.2 7.6958821542 -27.4374580399 -0.5 -27.9374580399 3.5117481694 0.9706233178 4.316E-7 2.3774992 -0.48952649 0.16365885 1.10307923 1.2595498 -2.7452843 -1.40995395 0.75399916 -1.78094699 -2.08963945 -2.36885968 -14.6358606 -31.1978817 -25.4011934 -26.66628684 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00015762-13 196704506 tox21-ror-cho-viability-p1 set1 4 2.21667291 -0.67244485 -1.01556068 -4.30538916 -3.08500487 -2.08400993 -4.87001068 -1.07534006 -3.25942123 -1.63091217 -5.57248269 -4.66297989 -2.02232273 -0.64503129 -1.58395526 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 14698-29-4 4628 170466273 A Oxolinic acid O=C(O)C2=CN(CC)c1cc3OCOc3cc1C2=O Tox21_110216_1 -NCGC00258480-01 196701859 tox21-ror-cho-viability-p1 set1 4 -3.78544846 0.02280212 -1.07380404 4.22158869 -9.29369559 -1.10983141 -5.60309128 -4.74863851 1.18187895 -4.43466961 -5.99287728 -3.25436454 -8.66214922 -4.77073702 -5.63598854 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.0000016719999999 0.0000037379999999 0.000008358 0.00001869 0.00004179 0.00009344 25168-26-7 61286 144208124 Ac Ac 2,4-D isooctyl ester Clc1cc(Cl)ccc1OCC(=O)OCC(CC)CCCC Tox21_200926 -NCGC00357029-01 196703906 tox21-ror-cho-viability-p1 set1 4 38.5707788719 -12.053398772 -1 -13.053398772 1.21 0.6318997256 0.0761866065 2.65771339 -0.26295858 -1.9853519 -1.46354688 2.28995112 -0.69573649 -2.42167699 -2.68138065 -0.50106387 -5.15305748 1.72728317 -5.05620457 -2.42657232 -7.20489985 -10.87783231 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120983-64-4 119361 251919786 A Pyrasulfotole metabolite (SXX 0665) OC(Cn1cncn1)(Cc2ccccc2Cl)C3(Cl)CC3 Tox21_303715 -NCGC00164071-03 196704337 tox21-ror-cho-viability-p1 set1 4 1.44769901 -0.68191948 1.30786996 0.22763481 1.00943983 2.17118764 0.57630931 1.11566959 0.45123922 -1.37442279 0.52861584 0.09372034 0.01455119 2.95929245 1.08508032 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 110-27-0 8042 170465683 F Isopropyl tetradecanoic acid CC(C)OC(=O)CCCCCCCCCCCCC Tox21_112080_1 -NCGC00091775-03 196704734 tox21-ror-cho-viability-p1 set1 -1.2 9.6885416101 -29.892435452 -1.5 -31.392435452 2.1210667061 0.956407256 0.0000039578 -5.47813669 -4.38410902 -0.49370599 -0.32320716 -0.19743686 -6.09996716 1.23034522 2.38669452 0.24315364 -3.91685689 -5.21035875 -13.3516512 -25.73398658 -30.74369621 -30.3184641 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00256177-01 196701432 tox21-ror-cho-viability-p1 set1 4 38.5707788719 11.493928588 0.506071412 12 1.0999999999 0.6094432661 0.0916362742 3.72863926 -2.22532262 -2.49494049 0.9381911 2.78663095 -0.68622817 1.58693808 -2.10116594 0.9800557 1.50337196 3.40577166 1.09283101 1.90698364 9.01880342 7.79998972 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3923-79-3 73539 144211574 A A 4,5-Dihydroxy-1,3-dimethylimidazolidin-2-one CN1C(=O)N(C)C(O)C1O Tox21_301257 -NCGC00255395-01 196701450 tox21-ror-cho-viability-p1 set1 4 1.51234751 -1.22581063 1.74129834 1.86819783 1.37119796 1.79339669 1.97735949 -0.35857724 2.50077301 -1.19290043 1.51878108 0.51635246 3.08768105 3.64477321 -0.42732456 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1746-23-2 15627 144211990 A Ac 4-tert-Butylstyrene CC(C)(C)c1ccc(C=C)cc1 Tox21_301673 -NCGC00258353-01 196701842 tox21-ror-cho-viability-p1 set1 -2.4 53.8737756516 -30.1002785999 1 -29.1002785999 3.5722481694 0.884911923 0.0006467379 0.73062635 2.59597075 0.75252589 0.71882988 -3.42520704 0.42703234 2.57695316 3.84459812 4.32385288 0.56392013 0.78953329 -4.81225686 3.39260181 -7.82419512 -25.0835655 1.1689999999E-9 2.6129999999E-9 5.844E-9 1.3069999999E-8 2.922E-8 6.5339999999E-8 1.461E-7 3.267E-7 7.305E-7 0.0000016329999999 0.000003652 0.000008167 0.00001826 0.000040829999999 0.000091309999999 471-53-4 10114 144207997 A A Glycyrrhetinic acid O=C(O)[C@@]4(C)CC[C@]5(C)CC[C@]3(C)C(=CC(=O)[C@H]2[C@@]3(C)CC[C@@H]1[C@]2(C)CC[C@H](O)C1(C)C)[C@@H]5C4 Tox21_200799 -NCGC00258654-01 196702266 tox21-ror-cho-viability-p1 set1 4 60.6956566923 -20.95911268 2 -18.95911268 4.9549173134 0.6696852735 0.0531419366 -0.08019118 0.80661285 -0.05700449 3.39248487 0.57163307 3.24429015 9.60012391 0.34712547 7.12729462 3.22296014 -0.18335845 -5.05747531 3.57102718 -0.72920477 -16.6325939 1.173E-9 2.6229999999E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.3299999999E-7 0.0000016389999999 0.000003665 0.000008195 0.00001833 0.00004098 0.000091629999999 58-54-8 3278 144208300 A A Ethacrynic acid Clc1c(ccc(OCC(=O)O)c1Cl)C(=O)C(=C)CC Tox21_201102 -NCGC00258784-01 196702277 tox21-ror-cho-viability-p1 set1 4 27.667411695 11.8905956239 -1.8905956239 10 4.9549173134 0.601940835 0.1107499812 -0.4501794 -0.42148894 0.39380611 -0.39910374 -6.99216302 -4.05222164 0.38719055 -4.36566088 -1.30359011 0.93676898 -1.3280001 -4.55702999 -1.08635683 8.85559067 1.48444146 1.193E-9 2.667E-9 5.963E-9 1.333E-8 2.981E-8 6.6659999999E-8 1.491E-7 3.3329999999E-7 7.4529999999E-7 0.0000016669999999 0.0000037269999999 0.000008333 0.00001863 0.00004167 0.00009317 27813-02-1 13539 144208430 D Hydroxypropyl methacrylate CC(=C)C(=O)OCC(C)O Tox21_201232 -NCGC00258557-01 196702675 tox21-ror-cho-viability-p1 set1 4 -12.30151246 -15.96165599 0.25556397 0.25417339 -6.24683492 -4.30332211 -3.18840643 -20.13362652 -0.93169879 -7.51940863 -15.49303609 -3.76606632 -12.91097839 -6.8452353 -13.84029172 1.1989999999E-9 2.6809999999E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.7019999999E-8 1.4989999999E-7 3.351E-7 7.493E-7 0.000001676 0.000003747 0.000008378 0.00001873 0.00004189 0.00009366 111-68-2 8127 144208202 A F Heptylamine CCCCCCCN Tox21_201004 -NCGC00258212-01 196702679 tox21-ror-cho-viability-p1 set1 4 0.0222425439 -6.645167628 -1 -7.645167628 4.9549173134 0.3380550617 0.3476107185 0.30973007 -9.83671357 1.0259367 4.26313278 -8.21594908 -6.19268073 -9.48416617 -6.89030234 0.04717828 -6.94941107 -11.78763969 -6.96293061 -7.28062772 -11.49726018 -2.48778863 1.2049999999E-9 2.694E-9 6.0229999999E-9 1.347E-8 3.012E-8 6.7339999999E-8 1.506E-7 3.367E-7 7.529E-7 0.0000016839999999 0.000003765 0.000008418 0.00001882 0.00004209 0.00009412 95-47-6 7237 144207856 FC ortho-Xylene Cc1ccccc1C Tox21_200658 -NCGC00258612-01 196702684 tox21-ror-cho-viability-p1 set1 4 1.58597511 0.35418911 2.71597996 5.89583155 5.75741496 8.28617096 0.89475699 -8.58701453 12.00045956 3.3333945 1.92515699 5.61857446 6.18269527 5.90860096 8.09095475 1.171E-9 2.618E-9 5.854E-9 1.3089999999E-8 2.927E-8 6.545E-8 1.464E-7 3.2729999999E-7 7.3179999999E-7 0.0000016359999999 0.0000036589999999 0.000008182 0.00001829 0.000040909999999 0.000091469999999 100-50-5 7508 144208257 A D 3-Cyclohexene-1-carboxaldehyde O=CC1CC=CCC1 Tox21_201059 -NCGC00256569-01 196726540 tox21-ror-cho-viability-p1 set3 4 0.1933118196 -20.238166092 8 -12.238166092 0.2 0.5691677775 0.1358724816 2.14638598 6.48800384 1.7889998 0.63020759 1.2075426 -6.81746295 -6.38370579 -0.98417082 -1.94236083 1.02531163 -2.28926474 -8.24376955 -8.45115221 -9.36513841 -2.00258606 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-91-0 68570 144213948 A A 17alpha-Estradiol Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@H](O)CC[C@@H]12)c4cc3 Tox21_303644 -NCGC00168342-02 196725732 tox21-ror-cho-viability-p1 set3 4 0.019213289 -16.639805132 1 -15.639805132 4.9549173134 0.8195027881 0.0051441498 1.43647484 0.30233185 0 0 -14.57424688 -18.38012936 -10.93965044 -12.36323378 -17.65948243 -15.17401313 -17.66667238 -7.93305192 -15.25149671 -18.74131468 -22.19983761 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00160537-04 196726132 tox21-ror-cho-viability-p1 set3 4 3.32358781 0 -9.47283985 -8.47467386 -6.15774694 4.96193818 -9.1687223 4.9438361 2.23499789 -2.54169721 -7.69972457 5.61057609 -0.037526 -0.40126753 0.21063573 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00262939-01 196726146 tox21-ror-cho-viability-p1 set3 4 0 0 6.02756734 8.47286655 -10.22910274 -16.8333373 -14.81300168 -14.47688442 6.80221953 -18.90692184 -18.90078631 -17.16640423 8.22650384 8.24674757 3.46406739 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6092-18-8 10357917 170465848 A F Cycotiamine O=C1OCC\C(S1)=C(/C)N(C=O)Cc2cnc(C)nc2N Tox21_113932 -NCGC00256700-01 196726544 tox21-ror-cho-viability-p1 set3 4 -1.59376953 -0.99695483 0.32496962 -0.46091713 0.36372212 6.86491121 -0.5478601 -1.43619508 -21.0238411 -1.33357456 -13.85316055 -1.55780112 -1.69432394 0.99861084 9.42431682 7.7859999999E-10 1.7409999999E-9 3.893E-9 8.705E-9 1.947E-8 4.353E-8 9.733E-8 2.176E-7 4.8659999999E-7 0.000001088 0.000002433 0.0000054409999999 0.000012169999999 0.000027199999999 0.00006083 85446-17-9 6537506 144212770 D 1,1'-Oxybis(2,3,4,5-tetrabromobenzene) Brc1c(cc(Br)c(Br)c1Br)Oc2cc(Br)c(Br)c(Br)c2Br Tox21_302453 -NCGC00256327-01 196726552 tox21-ror-cho-viability-p1 set3 4 -2.05491701 1.50064028 -0.63511191 -4.56743929 0.445027 1.71837242 -1.87890135 0.55691871 0.65015994 -10.70392718 0 -0.79499324 -2.41631848 -0.85364194 0.01403496 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-31-8 8795 144213239 F Ac 1-(2-Aminoethyl)piperazine NCCN1CCNCC1 Tox21_302922 -NCGC00257461-01 196726554 tox21-ror-cho-viability-p1 set3 4 -0.58580403 -0.28369748 -5.27232394 -6.93017667 -1.48348568 0.39766701 -4.64589876 -4.47927373 -1.07647657 -6.76015643 -1.38803329 1.58371139 -0.5652581 -6.8064608 -1.20397288 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-95-8 6619 144213887 A A 2,2',6,6'-Tetrachlorobisphenol A Clc1cc(cc(Cl)c1O)C(C)(C)c2cc(Cl)c(O)c(Cl)c2 Tox21_303582 -NCGC00256546-01 196726559 tox21-ror-cho-viability-p1 set3 -2.4 34.2364547331 -23.0080188601 -1.6275675239 -24.635586384 1.2221 0.914668532 0.0001455164 -3.09949408 -1.14922778 -0.73833228 -0.9235032 -4.78136039 -2.89732074 -2.12877305 -0.10630627 -2.6548179 -1.14759363 -0.75052429 -7.07525028 -9.80370125 -11.83946966 -20.52965532 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004107 0.00009184 2164-09-2 16560 144213070 A A Chloranocryl Clc1ccc(NC(=O)C(=C)C)cc1Cl Tox21_302753 -NCGC00256704-01 196726959 tox21-ror-cho-viability-p1 set3 4 -2.44040777 0.12660443 0.60622111 -2.74081071 1.82329227 -1.18893063 1.57087512 -1.61425863 -19.54404783 -12.85121843 0 -3.11248003 1.01475824 1.04381709 3.40165953 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23747-48-0 32065 144212839 C Fns 5H-5-Methyl-6,7-dihydrocyclopenta[b]pyrazine CC2CCc1nccnc12 Tox21_302522 -NCGC00256844-01 196726975 tox21-ror-cho-viability-p1 set3 4 48.5577336745 -10.8970805359 -1 -11.8970805359 2.7202212143 0.5346326215 0.1499434159 -0.31169801 -1.37860776 -0.90588211 -6.88944211 0.2585017 0.65676256 -5.41865223 0.79219207 0.06407838 -0.74762473 1.60819644 1.00387424 0.64672764 -6.12499264 -9.91423378 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 122-68-9 61051 144212989 A A 3-Phenylpropyl cinnamate O=C(C=Cc1ccccc1)OCCCc2ccccc2 Tox21_302672 -NCGC00256406-01 196718149 tox21-ror-cho-viability-p1 set2 -1.1 24.3365162115 -76.3647617065 -3.439505523 -79.8042672295 4.9549173134 0.9903437394 7E-10 -8.74539455 -4.82221144 -3.26199666 -3.52023316 -3.47190801 -8.81084043 -0.86323786 -4.50683557 -3.35690204 -2.23373702 -1.66201143 0.40962261 -18.49694964 -75.4512325 -78.98543262 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-49-8 8805 144213271 A D 4'-(Chloroacetyl)acetanilide O=C(C)Nc1ccc(cc1)C(=O)CCl Tox21_302954 -NCGC00015155-11 196717729 tox21-ror-cho-viability-p1 set2 -2.2 26.6032120037 -35.4544296972 -2.5 -37.9544296972 3.9294729863 0.9240830829 0.0000789194 -5.93993271 -2.78672101 -7.51911323 -3.1583746 -3.45482107 -2.51365295 -2.41664085 -3.47136232 -0.03897951 -2.88811958 1.14153571 -1.76801452 1.46115014 -12.70073609 -34.09081722 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64706-54-3 2351 170465240 A Bepridil CC(C)COCC(CN(Cc1ccccc1)c2ccccc2)N3CCCC3 Tox21_110089_1 -NCGC00013287-07 196717743 tox21-ror-cho-viability-p1 set2 4 0.38951865 2.5733733 -0.34382166 5.72481781 2.9614707 3.20711996 1.41374746 5.30195528 -0.40899282 -0.00488911 1.8493995 1.10521741 -1.1261017 1.82045099 -0.59752298 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 138-41-0 8739 170466232 B Carzenide O=S(N)(=O)c1ccc(cc1)C(=O)O Tox21_110021_1 -NCGC00091532-04 196717753 tox21-ror-cho-viability-p1 set2 -2.2 34.7961750105 -49.9409889944 -1.98644692 -51.9274359144 1.34431 0.9330176842 0.0000407139 1.78351002 -5.84813654 -3.40917067 -3.17696017 1.27226437 -1.06512994 -1.09713174 0.21599067 0.80088654 -5.76939194 -5.21730499 -13.3284726 -15.44692856 -25.01790627 -48.08095918 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00256881-01 196718154 tox21-ror-cho-viability-p1 set2 4 -1.03045366 -2.0270526 2.8719316 0.88726918 0.07283248 4.93140603 2.67627868 5.04605138 4.80114547 3.21332479 7.23305544 2.60629725 4.26566362 1.07429967 0.64168375 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 37526-88-8 250096 144212965 A F Benzyl tiglate C\C=C(/C)C(=O)OCc1ccccc1 Tox21_302648 -NCGC00256848-01 196718155 tox21-ror-cho-viability-p1 set2 4 -2.10874213 1.0891248 -0.95234195 0.2460166 0.01685902 1.98611048 1.6593564 0.33576938 -1.87197993 0.45914326 -0.60598892 1.33296984 -1.84209659 -2.16147125 1.36250522 1.172E-9 2.6199999999E-9 5.858E-9 1.31E-8 2.929E-8 6.55E-8 1.465E-7 3.275E-7 7.323E-7 0.000001637 0.0000036609999999 0.000008187 0.00001831 0.000040929999999 0.00009153 6149-03-7 23670838 144213933 A Sodium 4-octylbenzenesulfonate [Na+].O=S([O-])(=O)c1ccc(CCCCCCCC)cc1 Tox21_303628 -NCGC00256952-01 196718157 tox21-ror-cho-viability-p1 set2 4 0.15987211 -0.10988402 -0.45858936 -3.23221859 0.12896833 -8.94443531 -4.6304093 -2.02446193 0.74983022 -3.93405733 -2.72551554 -1.45876736 -4.57422995 0.14467524 -1.6865581 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1122-62-9 14286 144213421 A F 2-Acetylpyridine CC(=O)c1ccccn1 Tox21_303104 -NCGC00257349-01 196718170 tox21-ror-cho-viability-p1 set2 4 0.44228081 1.79516264 0.2697031 -0.70929284 -0.4006618 -6.07831372 2.13271814 -0.50470857 -0.76269953 -0.99177182 1.89284003 -8.84618622 0.73405237 -2.2345215 -2.15072376 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 638-38-0 12525 144213723 Fns Manganese(II) acetate [Mn+2].[O-]C(C)=O.[O-]C(C)=O Tox21_303412 -NCGC00257514-01 196718565 tox21-ror-cho-viability-p1 set2 4 -0.84099047 -0.82597042 -1.15006839 -3.43114783 -0.45437678 1.70702883 -2.9142689 -0.99121311 0.89670901 1.12460446 -0.82923309 2.57486643 -1.4679575 0.55915809 0.03726422 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-79-7 8858 144213911 Fns 4-Methylpent-3-en-2-one C\C(C)=C/C(C)=O Tox21_303606 -NCGC00257018-01 196718574 tox21-ror-cho-viability-p1 set2 4 2.1689942904 11.5195919959 -15.5807670119 -4.061175016 4.9549173134 0.566472052 0.1222130291 -4.00889784 -15.26611242 -14.4621907 -13.10956215 -17.26193608 -21.73397251 -16.49853648 -18.33858053 -17.75101539 -13.15079053 -3.43719252 -2.50315418 -2.42454254 -13.18428546 -0.05097918 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1115-20-4 14218 144213617 F A 3-Hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropanoate CC(C)(CO)COC(=O)C(C)(C)CO Tox21_303300 -NCGC00090789-02 196718580 tox21-ror-cho-viability-p1 set2 4 -0.75492274 0.61477846 0.50531824 0.71576208 -2.04276034 -0.96027682 0.07615846 -1.51286032 0.7966263 0.12972939 0.14593661 6.3413906 -1.56371074 1.7618696 0.29155952 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00257382-01 196718978 tox21-ror-cho-viability-p1 set2 4 17.7800325091 -15.028233176 2.5 -12.528233176 1.4487170999 0.8243445244 0.0046158978 0.54139109 -0.15106326 0.93539769 1.37625246 3.16411901 4.52832414 0.14893296 5.11273319 3.1753651 2.68364127 3.7842107 -0.08365728 -5.85479969 -5.04979025 -12.10686098 9.0839999999E-10 2.0309999999E-9 4.5419999999E-9 1.016E-8 2.271E-8 5.0779999999E-8 1.136E-7 2.539E-7 5.678E-7 0.00000127 0.000002839 0.0000063479999999 0.00001419 0.00003174 0.000070969999999 52806-53-8 91649 144213961 A A Hydroxyflutamide O=C(Nc1cc(c(cc1)[N+]([O-])=O)C(F)(F)F)C(C)(C)O Tox21_303659 -NCGC00091483-03 196708202 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -31.2421442 -3.5 -34.7421442 2.7202212143 0.7210105811 0.029427032 -9.96803122 1.48616488 0.31418016 -4.46649941 -7.24217769 -5.57881409 0.37327927 0.26357708 -7.49117172 0.11638471 -4.47295129 -5.52720799 -6.02751131 -7.20879326 -25.6184535 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00257176-01 196708010 tox21-ror-cho-viability-p1 set1 4 68.5896218971 15.4012905759 -0.4012905759 15 4.9549173134 0.723132899 0.028984337 -3.25107548 2.83856891 0.28180445 -3.07068355 -3.19893566 0.24643779 0.30078908 -3.04623433 0.01042465 2.10570547 -0.40489444 0.22644081 1.98070779 0.43477878 11.95238426 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 384-22-5 9795 144213374 A A 1-Nitro-2-(trifluoromethyl)benzene O=[N+]([O-])c1ccccc1C(F)(F)F Tox21_303057 -NCGC00256497-01 196708018 tox21-ror-cho-viability-p1 set1 4 2.84736941 2.10795911 -0.96823214 -1.10390821 3.14219185 2.42443432 -0.05291379 1.58524784 2.61992877 2.19612652 1.93284796 4.7736552 2.13739109 2.5790528 4.51656411 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 106-48-9 4684 144213177 A A 4-Chlorophenol Oc1ccc(Cl)cc1 Tox21_302860 -NCGC00256651-01 196708019 tox21-ror-cho-viability-p1 set1 4 -3.83045087 -3.23336068 0.80530172 0.34739418 -5.04913783 -2.33616468 -2.23732637 0.76994037 -6.97320761 1.82165077 1.20718905 -0.22227731 -0.77498674 1.77878055 1.21143918 1.017E-9 2.273E-9 5.083E-9 1.1369999999E-8 2.5409999999E-8 5.6829999999E-8 1.271E-7 2.841E-7 6.354E-7 0.000001421 0.000003177 0.000007104 0.00001588 0.00003552 0.00007942 1069-66-5 16760703 144212940 A Sodium valproate [Na+].[O-]C(=O)C(CCC)CCC Tox21_302623 -NCGC00090874-04 196708026 tox21-ror-cho-viability-p1 set1 4 4.28120639 0.07951023 3.20382459 -0.03210679 2.589451 2.75005438 4.57415815 3.20163 3.09274682 1.88102594 0.85898648 1.88890766 2.2660434 -2.61703724 3.12897952 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00259595-01 196708432 tox21-ror-cho-viability-p1 set2 -2.2 30.6690184797 -31.1535575639 0 -31.1535575639 1.92824246 0.9689186472 5.955E-7 1.92441718 0.64675859 0.41626946 0.73727123 -0.19643525 0.72336964 1.73131907 -0.27134846 0.20667107 -2.71913313 -2.91901267 -4.50438885 -7.63850841 -19.45716967 -30.96129797 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.953E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.000001651 0.0000036909999999 0.000008253 0.000018449999999 0.000041259999999 0.00009227 2312-35-8 4936 144209244 A A Propargite CC(C)(C)c1ccc(cc1)OC2CCCCC2OS(=O)OCC#C Tox21_202046 -NCGC00259796-01 196708441 tox21-ror-cho-viability-p1 set2 4 1.9926628 -1.51205477 2.17936919 0.26406224 -0.75957036 1.61604793 -0.44835 -0.21224128 -2.13248194 0.14909512 1.52082748 0.45937271 2.92837261 4.16883114 3.09789156 1.1999999999E-9 2.683E-9 5.999E-9 1.3409999999E-8 2.999E-8 6.707E-8 1.5E-7 3.353E-7 7.499E-7 0.000001677 0.000003749 0.000008384 0.00001875 0.00004192 0.00009373 121-39-1 8469 144209445 Z Z Ethyl 3-phenylglycidate CCOC(=O)C2OC2c1ccccc1 Tox21_202247 -NCGC00258908-01 196708445 tox21-ror-cho-viability-p1 set2 4 1.08253377 0.45704707 -0.5676314 -1.78167913 3.48952292 3.36382302 1.36205863 -0.61354381 0.99771044 0.89387425 -1.0965385 -0.87218643 1.09642701 -0.31892982 2.85178767 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.397E-7 0.0000016539999999 0.0000036989999999 0.0000082699999999 0.000018489999999 0.00004135 0.00009247 1918-00-9 3030 144208554 A A Dicamba COc1c(c(Cl)ccc1Cl)C(=O)O Tox21_201356 -NCGC00259589-01 196708841 tox21-ror-cho-viability-p1 set2 4 1.89183279 -0.76128364 4.18698209 2.6117558 -0.67498015 1.68513669 2.17334769 0.12637778 3.26997868 1.52582678 0.88452072 1.67438041 3.03646891 2.69510081 0.25470686 1.1739999999E-9 2.626E-9 5.871E-9 1.3129999999E-8 2.9349999999E-8 6.564E-8 1.468E-7 3.282E-7 7.339E-7 0.000001641 0.000003669 0.000008205 0.00001835 0.00004102 0.00009173 97-53-0 3314 144209238 A A Eugenol Oc1ccc(cc1OC)CC=C Tox21_202040 -NCGC00259230-01 196708846 tox21-ror-cho-viability-p1 set2 -2.4 38.1397123614 -40.1903507983 0 -40.1903507983 2.2526478767 0.9484022848 0.5461727297 -43.48036119 -2.20798171 0.80856475 -1.7212834 -0.76352903 -0.43740553 -38.64468102 0.79120672 3.73789004 0.37789046 -1.86747664 -2.59448939 0 -24.54558498 -34.61390212 1.1689999999E-9 2.614E-9 5.8459999999E-9 1.3069999999E-8 2.9229999999E-8 6.536E-8 1.461E-7 3.268E-7 7.3069999999E-7 0.0000016339999999 0.0000036539999999 0.00000817 0.00001827 0.00004085 0.00009134 82-28-0 6702 144208879 A A 1-Amino-2-methylanthraquinone O=C3c1ccccc1C(=O)c2c3ccc(C)c2N Tox21_201681 -NCGC00259766-01 196708848 tox21-ror-cho-viability-p1 set2 4 62.4383774676 11.3579849759 -0.8579849759 10.5 3.6772481694 0.6643702452 0.0571084569 1.15790381 0.30323959 -3.71303518 -4.46498748 -2.97531595 -1.84589234 -0.70402288 -0.78676396 0.21691491 -0.80328023 1.0910249 1.53435676 -0.127196 1.50448774 8.51529728 1.2009999999E-9 2.686E-9 6.005E-9 1.3429999999E-8 3.003E-8 6.714E-8 1.501E-7 3.3569999999E-7 7.506E-7 0.0000016779999999 0.000003753 0.0000083919999999 0.000018769999999 0.00004196 0.000093829999999 79-24-3 6587 144209415 AC Fns Nitroethane [O-][N+](=O)CC Tox21_202217 -NCGC00259295-01 196708850 tox21-ror-cho-viability-p1 set2 4 -0.69768641 0.93106519 3.1969041 5.44750611 -0.38619952 1.28991586 -0.08540503 2.27675185 3.05396887 1.1631192 1.3596099 3.78000092 0.31852212 5.10322774 5.53933015 1.1859999999E-9 2.6519999999E-9 5.929E-9 1.326E-8 2.9649999999E-8 6.629E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008286 0.00001853 0.000041429999999 0.00009265 2426-08-6 17049 144208944 B B Butyl glycidyl ether CCCCOCC1CO1 Tox21_201746 -NCGC00259337-01 196709267 tox21-ror-cho-viability-p1 set2 4 4.8064345641 8.039023536 -0.539023536 7.5 1.826479391 0.7092354632 0.0345345142 -2.67261485 -2.04804301 -2.94918628 4.10545978 -2.02815036 -2.54730309 2.46230903 -0.82245201 0.81683755 1.20286805 1.00816149 6.86550769 5.28623081 8.90701146 6.28556519 1.1699999999E-9 2.6159999999E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.539E-8 1.462E-7 3.269E-7 7.311E-7 0.000001635 0.0000036549999999 0.000008173 0.00001828 0.000040869999999 0.00009138 4553-62-2 20686 144208986 A A 2-Methylpentanedinitrile CC(CCC#N)C#N Tox21_201788 -NCGC00260013-01 196706807 tox21-ror-cho-viability-p1 set1 4 -0.84856236 -1.95942585 0.55272518 -0.789796 -1.1418555 -1.98497986 -1.21616147 -3.55655986 -17.86000896 9.25494533 1.88377695 -3.81493971 -5.82472511 -0.54982369 -6.81983796 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6239999999E-8 1.481E-7 3.312E-7 7.405E-7 0.000001656 0.0000037029999999 0.000008279 0.00001851 0.0000414 0.000092569999999 3160-37-0 18480 144209662 A A Piperonal acetone CC(=O)C=Cc1ccc2OCOc2c1 Tox21_202464 -NCGC00255904-01 196710073 tox21-ror-cho-viability-p1 set2 4 1.11421984 2.31219801 1.0160794 3.67236127 1.61716433 0.91120502 0.45726019 1.82239105 0.30483431 -1.5402362 1.57139444 -0.59055477 -1.43129478 1.9718404 2.15495375 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68039-49-6 93375 144211961 Cc 2,4-Dimethylcyclohex-3-ene-1-carbaldehyde CC1C=C(C)CCC1C=O Tox21_301644 -NCGC00255707-01 196710060 tox21-ror-cho-viability-p1 set2 -2.1 61.0684034629 -88.4873401086 -2.675294716 -91.1626348246 4.9549173134 0.9809372022 3.6E-8 -0.56254862 -0.66742066 -2.15355953 -7.57426111 0.67149095 -2.32865684 0.38427711 -1.73395194 0.51081817 -2.77401881 -5.36109278 -1.88330196 -9.18533204 -13.27170887 -81.08145621 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 1119-97-7 14250 144212384 A A Tetradonium bromide [Br-].C[N+](C)(C)CCCCCCCCCCCCCC Tox21_302067 -NCGC00255466-01 196710065 tox21-ror-cho-viability-p1 set2 4 6.0944112289 7.0018184199 -6.5018184199 0.5 4.9549173134 0.5055771573 0.1918500351 -7.68524749 -9.00483874 -4.84166515 -6.53968484 -4.00935072 -10.00151535 -4.02476727 -7.634602 -5.33949882 -0.41849702 -9.46197702 0.13399503 0.70235394 -0.59943263 -10.60964179 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 2327-02-8 16854 144212575 A A 3,4-Dichlorophenylurea Clc1ccc(NC(N)=O)cc1Cl Tox21_302258 -NCGC00163774-04 196710072 tox21-ror-cho-viability-p1 set2 4 1.75966777 2.98777184 0.97767706 0.23482473 3.12977143 2.77077129 0.62675697 0.13416429 0.16766956 0.00930343 0.27068712 0.30897456 1.26593322 0.13257036 4.76057017 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00255137-01 196710081 tox21-ror-cho-viability-p1 set2 4 61.130564862 -10.260005896 0 -10.260005896 4.9549173134 0.8774638524 0.0009213324 -1.44825632 0.47417482 -0.64689083 -0.77983832 -0.43957058 -0.4087956 0.0885449 1.20001445 0.52551244 -0.00472214 -1.67115999 1.42338201 0.18226676 -1.39307214 -8.96667158 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60719-84-8 3698 144212164 A Ac Amrinone NC1=CC(=CNC1=O)c2ccncc2 Tox21_301847 -NCGC00255337-01 196710488 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -12.406614756 2 -10.406614756 4.5044702849 0.6718348397 0.0529797589 6.57984052 1.61104961 3.10567887 3.3295464 2.67326212 2.16282221 0.50349757 0.23290493 1.38801208 0.40932824 2.48459699 -0.50943896 0.08842761 1.09148922 -7.83884563 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 53939-28-9 5364495 144212141 D F (Z)-11-Hexadecenal CCCC\C=C/CCCCCCCCCC=O Tox21_301824 -NCGC00255773-01 196710490 tox21-ror-cho-viability-p1 set2 4 -2.80662599 -0.22017626 -3.45970962 -1.860851 -1.15618513 -2.53082524 -4.79584888 -4.24664742 -1.45503133 -3.98172655 -2.95717882 -3.01180066 -4.08101629 0.08372154 -1.9051476 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6610-29-3 2723853 144212489 Z Ac N-Methylhydrazinecarbothioamide CNC(=S)NN Tox21_302172 -NCGC00255300-01 196710898 tox21-ror-cho-viability-p1 set2 4 2.99702069 2.72507314 0.41461914 0.41978632 2.30485382 3.22899555 0.45289618 2.84352318 2.36722596 -1.72073417 1.4449883 -0.45555435 -1.06275826 3.27182469 3.34461027 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 137-42-8 5366415 144212678 Ac Metam-sodium [Na+].[S-]C(=S)NC Tox21_302361 -NCGC00255512-01 196710909 tox21-ror-cho-viability-p1 set2 4 17.2289340586 -9.976577932 -0.5 -10.476577932 3.5117481694 0.7539979477 0.0243833168 0.92193475 -0.87195044 0.14760261 0.45249043 -0.34431615 3.11630402 0.15535795 -4.02563015 -0.54639709 -0.6378609 -2.55303912 0.20048583 -6.09196871 -9.98048161 -0.43364359 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 485-31-4 10234 144211871 A B Binapacryl O=C(Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(C)CC)\C=C(/C)C Tox21_301554 -NCGC00255310-01 196710911 tox21-ror-cho-viability-p1 set2 -2.1 57.2478591934 -100.8826473387 0.1951771719 -100.6874701668 3.2974983358 0.9967971375 0 1.66165181 -0.12143305 1.60683861 -0.15938185 -1.12801108 1.18797895 -1.40131874 1.76984179 0.1264112 0.08520157 0.12350909 -1.1603525 -2.76918537 -17.23763025 -76.27838649 1.015E-9 2.269E-9 5.073E-9 1.134E-8 2.536E-8 5.6719999999E-8 1.268E-7 2.836E-7 6.341E-7 0.0000014179999999 0.000003171 0.000007089 0.00001585 0.00003545 0.00007926 89778-27-8 3005572 144212057 A A Toremifene citrate O=C(O)C(O)(CC(=O)O)CC(=O)O.CN(C)CCOc1ccc(cc1)/C(c2ccccc2)=C(/CCCl)c3ccccc3 Tox21_301740 -NCGC00159434-04 196723038 tox21-ror-cho-viability-p1 set3 4 1.18116158 -0.09815722 -21.94890111 0 0 -25.3948145 -1.56700524 -4.2797015 -4.6282493 -1.89095006 -0.27602252 -0.42262113 -3.88125983 0.87377285 3.02969404 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 302-40-9 9330 170466568 A Benactyzine OC(C(=O)OCCN(CC)CC)(c1ccccc1)c2ccccc2 Tox21_111665_1 -NCGC00015335-17 196722627 tox21-ror-cho-viability-p1 set3 4 1.1883218301 -22.489376476 9.5 -12.989376476 0.3 0.804195691 0.0102979819 7.73716166 9.09725746 5.13162156 7.57319279 -0.74979359 2.87251552 5.16188191 -0.69094602 -0.00583664 -0.49709405 -1.16200947 -1.77368127 -4.30681383 -9.15781373 10.10937575 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-73-1 3100 170466857 A Diphenhydramine hydrochloride CN(C)CCOC(c1ccccc1)c2ccccc2 Tox21_110127_1 -NCGC00164601-02 196722637 tox21-ror-cho-viability-p1 set3 4 18.8336317891 -9.097681284 0 -9.097681284 2.7202212143 0.560620708 0.1286477545 -1.59842543 -4.62086788 2.43414611 -2.38557277 1.07916356 0.71445337 3.0218752 -0.19278858 2.22405055 1.6401403 -1.22552228 -0.28567253 1.8442092 -6.79324587 -7.58140107 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 88678-31-3 3936 170466057 A Liranaftate COc1cccc(n1)N(C)C(=S)Oc2cc3CCCCc3cc2 Tox21_112223_1 -NCGC00263906-02 196723031 tox21-ror-cho-viability-p1 set3 4 37.5780357627 21.8833707521 0.1166292479 22 0.4 0.6091207891 0.0909813138 1.43515551 -1.15280896 -0.22598618 2.60619292 1.05971229 0.93573046 2.1410422 -0.75828412 7.64919976 5.16816701 7.26405693 4.15811003 5.95507288 4.19933524 17.36103001 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 751-97-3 54680694 170465919 Fc Rolitetracycline O=C(NCN1CCCC1)C4=C(O)[C@@H](N(C)C)[C@@H]5CC3C(C(=O)c2c(O)cccc2[C@@]3(C)O)=C(O)[C@]5(O)C4=O Tox21_110483_1 -NCGC00247730-01 196723047 tox21-ror-cho-viability-p1 set3 4 75.9425240336 19.803882912 0.196117088 20 4.9549173134 0.4842646352 0.6121622809 -68.45773266 0.98542753 -5.06549226 -4.20284604 -6.50323576 3.80378958 3.50186362 3.6981401 2.12522368 3.38530366 6.41679004 -1.54215116 -2.70468449 -0.92949983 14.40774922 1.167E-9 2.61E-9 5.837E-9 1.305E-8 2.918E-8 6.5259999999E-8 1.459E-7 3.2629999999E-7 7.296E-7 0.000001631 0.000003648 0.000008157 0.000018239999999 0.000040789999999 0.0000912 1892-80-4 102710 144206449 A A Fenethylline hydrochloride Cl.CC(Cc1ccccc1)NCCn3cnc2c3C(=O)N(C)C(=O)N2C Tox21_112896 -NCGC00015859-14 196723453 tox21-ror-cho-viability-p1 set3 4 33.4914596268 24.925883964 1.074116036 26 0.8999999999 0.6532554225 0.0624076802 3.24347115 0.0433814 0.38262547 -1.67180653 0.29584879 3.95208432 -0.64843067 3.30734713 -4.52156997 5.94013557 4.14637315 3.98691318 9.09523696 4.27434441 18.93719784 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-06-9 4913 170464952 I Procainamide O=C(NCCN(CC)CC)c1ccc(N)cc1 Tox21_110246_1 -NCGC00090885-03 196723862 tox21-ror-cho-viability-p1 set3 4 3.8570778872 10.502647364 -12.644579992 -2.141932628 1.0999999999 0.3994598937 0.272891696 -13.97347193 -4.31333915 -12.09375034 -12.50065269 -13.23202362 -14.34489209 -11.08352948 -15.7928548 -18.45381666 -6.66699133 -2.18029463 -5.29190644 -6.98411757 -9.19534828 -0.11827719 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00357194-01 196723876 tox21-ror-cho-viability-p1 set3 -2.1 43.2771256911 -77.494153235 -0.331033081 -77.825186316 2.3331733767 0.9391616121 0.0000243392 -4.08557844 -3.73301358 -4.88903487 -0.73240163 3.01173723 7.53367451 3.24639551 2.97773982 -6.02928112 6.29397814 -6.30600078 -6.47551622 -3.35139192 -39.54274274 -65.7766563 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 612-12-4 11919 251919918 A 1,2-Bis(chloromethyl)benzene ClCc1ccccc1CCl Tox21_303964 -NCGC00259654-01 196722241 tox21-ror-cho-viability-p1 set3 4 -6.50391025 -1.76246674 -5.46944262 -7.37891541 -5.09620124 -3.54877543 -2.71142671 -1.33965272 -6.36931548 -5.84091611 -2.60905371 -4.63864245 -5.96205213 1.19993075 -2.57185421 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.977E-8 6.656E-8 1.4879999999E-7 3.3279999999E-7 7.4419999999E-7 0.0000016639999999 0.000003721 0.00000832 0.0000186 0.0000416 0.000093019999999 112-25-4 8170 144209303 A A 2-(Hexyloxy)ethanol OCCOCCCCCC Tox21_202105 -NCGC00091499-05 196721840 tox21-ror-cho-viability-p1 set3 4 0.0015355304 18.683552436 -20.183552436 -1.5 4.9549173134 0.5210630333 0.1602749031 -16.81962703 -1.76499503 -6.92815566 -4.23194892 0.17301023 1.83040225 -0.19757285 -11.75665592 -0.21476293 1.27384008 0.27866118 1.28839538 -3.47849674 1.74318829 -2.4259365 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00259810-01 196721849 tox21-ror-cho-viability-p1 set3 -2.2 61.130564862 -57.39062735 -1.344325044 -58.734952394 3.1924983358 0.9149435882 0.0001418127 -12.89745692 0.35483646 -5.44426429 2.05313499 -1.46806304 -1.10754765 -0.67708609 0.29656594 -0.26420931 -0.13591643 0.20852953 0.62812524 -0.35596376 -14.43964284 -46.39011545 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-56-3 7340 144209459 A A 2-Amino-5-azotoluene Cc2cc(/N=N/c1ccccc1C)ccc2N Tox21_202261 -NCGC00258265-01 196730214 tox21-ror-cho-viability-p1 set3 4 0.4964612556 2.657744296 -0.157744296 2.5 4.9549173134 0.3204683804 0.3695460845 -1.87976115 1.44161466 0.30016312 1.59108887 -0.24071709 -2.63145358 -0.07513731 -0.10771684 2.56209219 8.18730126 0.67264562 0.88636916 0.4873076 2.67946491 1.0775832 1.202E-9 2.688E-9 6.01E-9 1.344E-8 3.005E-8 6.719E-8 1.5019999999E-7 3.36E-7 7.5119999999E-7 0.0000016799999999 0.0000037559999999 0.0000083989999999 0.00001878 0.00004199 0.0000939 88230-35-7 8908 144207909 D Hexanol, acetate, branched and linear O=C(C)OCCCCCC Tox21_200711 -NCGC00258261-01 196729804 tox21-ror-cho-viability-p1 set3 4 0.96188884 4.63548901 0.86766186 7.10675557 8.68929386 6.32728314 0.63916302 4.92880147 1.71423504 7.58716203 7.08335444 4.39371076 8.04807631 0.59928018 7.3096348 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.397E-7 0.0000016539999999 0.0000036989999999 0.0000082699999999 0.000018489999999 0.00004135 0.00009247 646-14-0 12589 144207905 A A 1-Nitrohexane [O-][N+](=O)CCCCCC Tox21_200707 -NCGC00091009-05 196729812 tox21-ror-cho-viability-p1 set3 4 0.92160864 -3.25218666 -2.57616763 -10.41729129 -1.510966 -2.08200872 -8.30333059 -0.44273572 -9.49661057 -0.66966242 1.21732327 -1.02852558 -0.52030042 -1.01950736 -12.40144284 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00258505-01 196730213 tox21-ror-cho-viability-p1 set3 4 1.66009198 -5.47958212 0 1.68490706 0 -13.30094571 0 -0.88865504 0 0 -7.0780592 0 -9.80941524 -3.39654352 -10.55708186 1.1989999999E-9 2.6819999999E-9 5.997E-9 1.3409999999E-8 2.999E-8 6.705E-8 1.4989999999E-7 3.352E-7 7.496E-7 0.000001676 0.000003748 0.000008381 0.000018739999999 0.00004191 0.00009371 1984-58-3 16125 144208150 A Ac 2,5-Dichloroanisole COc1cc(Cl)ccc1Cl Tox21_200952 -NCGC00090962-05 196730226 tox21-ror-cho-viability-p1 set3 4 60.7577547203 -13.501528632 0.5 -13.001528632 2.8472712143 0.7523597217 0.0192048854 0.00309871 1.13546485 2.04175445 0.73207839 0.32927546 -2.13084267 2.00345015 -0.57768676 0.57809666 4.7099274 -0.47004904 1.53767469 -1.67460354 -2.28282745 -10.00127386 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00091044-02 196726986 tox21-ror-cho-viability-p1 set3 4 0.47439429 -2.37498614 0.77256012 -19.43178243 -14.90922466 -17.54549078 -1.76739582 -0.52690118 0 0 -13.87113603 -12.51915945 -11.25817823 -1.38623099 -4.48257314 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.165E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00256860-01 196726580 tox21-ror-cho-viability-p1 set3 4 0.59420594 1.4907125 1.85372616 1.24389117 2.31712978 2.07843252 1.65752221 0.78409524 0.93803845 0.03158185 -0.88680142 2.97768346 1.0199449 1.77588619 0.46159769 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1438-94-4 15037 144212921 A A 1-Furfurylpyrrole c2cn(Cc1ccco1)cc2 Tox21_302604 -NCGC00256993-01 196726591 tox21-ror-cho-viability-p1 set3 4 0.0017228934 17.232180732 -18.732180732 -1.5 3.9899729863 0.8007114687 0.0079436188 -15.61015061 -4.48992852 0 0 -2.72192804 -3.45470663 0 -3.82723193 0 0 0 -5.21357008 -2.690926 0.88726408 0.1665719 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 29385-43-1 122499 144213503 A A Tolyltriazole Cc1cccc2nnnc12 Tox21_303186 -NCGC00257173-01 196726987 tox21-ror-cho-viability-p1 set3 4 5.4482673282 6.6655282239 -2.1655282239 4.5 4.9549173134 0.443790746 0.2485686872 5.24691512 -3.41314393 -0.04745904 -4.08317897 -1.68621433 -5.97127352 -3.0957231 -2.09927662 -2.81417829 -3.6201065 -4.15944019 8.19594032 0.80272527 4.35325215 0.33204515 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 51-17-2 5798 144213638 A A Benzimidazole c1cccc2ncnc12 Tox21_303321 -NCGC00256801-01 196718312 tox21-ror-cho-viability-p1 set2 4 1.78583172 0.08379053 2.29108596 1.98893074 0.53415967 -1.27902163 -2.32915978 0.60711442 0.50165548 0.05114616 4.92480936 3.02381088 3.18047945 -0.35923321 -2.5054382 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-72-5 31226 144212904 A A 3-Phenylpropyl acetate CC(=O)OCCCc1ccccc1 Tox21_302587 -NCGC00159423-03 196717485 tox21-ror-cho-viability-p1 set2 4 0.77106779 -0.48616585 0.67848557 2.68637277 3.78135368 3.57610837 0.89346794 0.80261053 2.44262202 0.4886923 4.7501629 6.59006221 2.24737744 0.33531867 4.49961398 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84-80-0 5284607 170464798 F Phytonadione CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(\C)=C\CC2=C(C)C(=O)c1ccccc1C2=O Tox21_111655_1 -NCGC00263579-01 196717494 tox21-ror-cho-viability-p1 set2 -2.1 29.8492948118 -84.3339389788 1.2717371509 -83.0622018279 4.0949729863 0.9813998879 3.12E-8 0.50697949 0.98646304 1.95389958 2.84948414 2.9860866 3.76166714 6.3974603 2.69388482 0.77703145 1.17953413 0.80257625 -3.66044463 -4.53093182 -12.7413786 -70.88516819 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 169293-50-9 11626384 170465208 C rac Nebivolol hydrochloride Cl.Fc1cc2CC[C@@H](Oc2cc1)[C@@H](O)CNC[C@H](O)[C@@H]3CCc4cc(F)ccc4O3 Tox21_113618_1 -NCGC00091650-03 196717909 tox21-ror-cho-viability-p1 set2 4 61.130564862 -21.028736744 3 -18.028736744 4.0949729863 0.8198433297 0.005140905 2.84630035 2.68621277 2.77443565 2.90111358 4.40278823 4.03802111 7.3317777 5.92645932 -0.92515825 0.02607225 2.80885599 2.39219479 -0.03823596 -0.51561538 -14.60728062 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00256567-01 196718323 tox21-ror-cho-viability-p1 set2 4 0.84163436 2.32917476 -0.08301078 1.87995246 1.20125929 4.25696074 2.09188973 7.80682757 3.27849947 4.77993864 4.41288376 2.61511029 3.11777412 1.55905673 3.08724357 6.755E-10 1.5109999999E-9 3.3779999999E-9 7.553E-9 1.6889999999E-8 3.776E-8 8.444E-8 1.888E-7 4.222E-7 9.441E-7 0.000002111 0.00000472 0.00001056 0.0000236 0.00005278 143-22-6 8923 144213153 A Ac 2-[2-(2-Butoxyethoxy)ethoxy]ethanol OCCOCCOCCOCCCC Tox21_302836 -NCGC00256687-01 196718719 tox21-ror-cho-viability-p1 set2 4 -2.28646764 -1.48421875 -5.03824399 -1.67022556 -3.65564493 -17.58457159 -3.42255153 -0.49835221 -7.33232783 -1.30028119 -3.31229729 -0.4263865 -3.1995937 -3.00411774 -0.04215394 1.222E-9 2.733E-9 6.111E-9 1.367E-8 3.056E-8 6.833E-8 1.528E-7 3.416E-7 7.639E-7 0.0000017079999999 0.00000382 0.000008541 0.0000191 0.0000427 0.00009549 4437-51-8 62539 144212883 F 3,4-Hexanedione CCC(=O)C(=O)CC Tox21_302566 -NCGC00257421-01 196718724 tox21-ror-cho-viability-p1 set2 4 0.0432771257 5.5269618921 0.4730381079 6 1.6266150999 0.4806093048 0.1979974212 2.04651212 -0.24550754 0.09099991 2.12803414 -0.43913491 7.31407963 3.81263173 8.6128237 5.25412815 5.4209165 7.80506104 1.84383497 2.4049825 7.17086218 10.48397578 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6080-56-4 22456 144213813 A Lead(II) acetate trihydrate [O-]C(C)=O.[O-]C(C)=O.[Pb+2].O.O.O Tox21_303505 -NCGC00256437-01 196718727 tox21-ror-cho-viability-p1 set2 4 -6.80545707 -4.57109401 1.90760596 5.19999489 -12.14601647 -2.84065717 -9.45230522 -2.9817055 -0.42908656 -11.10463703 2.47743797 1.94836119 0.0629793 3.01091429 0.83332662 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-09-1 6626 144213160 A A 4,4'-Sulfonyldiphenol Oc1ccc(cc1)S(=O)(=O)c2ccc(O)cc2 Tox21_302843 -NCGC00256837-01 196718733 tox21-ror-cho-viability-p1 set2 4 24.3365162115 -10.683412384 3.5 -7.183412384 4.9549173134 0.7182679499 0.030789417 1.11843157 1.20721903 1.00428968 3.80712317 -0.44833116 4.70200302 1.50027743 4.62681559 2.84819868 7.11944629 6.68448081 4.84352186 1.21340289 -6.81951032 -6.47018561 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 16491-24-0 86015 144212875 F F 2,4-Hexadienyl isobutyrate O=C(OCC=CC=CC)C(C)C Tox21_302558 -NCGC00254856-01 196714191 tox21-ror-cho-viability-p1 set2 4 -2.46822466 -1.89588376 -2.35077561 -5.95142078 -3.37554363 -0.42253546 -6.28617487 -2.31862593 -4.36418085 -5.73984481 -3.94687378 -1.32810781 -5.7066556 0.00058193 -1.49331214 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1852-04-6 15816 144211271 A A Undecanedioic acid O=C(O)CCCCCCCCCC(=O)O Tox21_300954 -NCGC00254358-01 196714175 tox21-ror-cho-viability-p1 set2 4 0.09417004 -0.04097452 2.42544663 1.05151115 1.33228637 -0.14220774 -0.27599396 -3.70156653 -0.10229326 -3.81313289 -5.8127813 -0.40424036 -4.55006364 -1.1724875 2.45890215 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-51-4 7440 144210705 A A 1,2-Dimethyl-4-nitrobenzene Cc1ccc(cc1C)[N+](=O)[O-] Tox21_300387 -NCGC00254396-01 196714179 tox21-ror-cho-viability-p1 set2 4 4.11865991 3.79117535 4.15023954 -0.23052582 -1.78817808 -1.39534127 -0.40666582 4.24950305 -0.4223182 3.25305925 -0.62967053 1.11724137 5.75007266 1.68037503 3.49966385 1.144E-9 2.559E-9 5.7219999999E-9 1.2789999999E-8 2.861E-8 6.397E-8 1.4299999999E-7 3.199E-7 7.1519999999E-7 0.0000015989999999 0.0000035759999999 0.000007996 0.000017879999999 0.000039979999999 0.0000894 486-56-6 854019 144210932 A A Cotinine CN2C(=O)CC[C@H]2c1cnccc1 Tox21_300615 -NCGC00254026-01 196714190 tox21-ror-cho-viability-p1 set2 4 0.1368542878 -6.885763492 0 -6.885763492 4.9549173134 0.573390251 0.1327297963 1.69583317 0.06795951 -0.58769734 -2.21192607 0.00663791 -0.24236879 -3.79026007 -9.48572768 -8.66473447 -4.16977644 -4.27254177 -0.13859724 -11.15480291 -9.62852263 0.1506657 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5392-40-5 8843 144210415 FC 3,7-Dimethyl-2,6-octadienal C\C(C)=C\CCC(C)=CC=O Tox21_300095 -NCGC00258924-01 196709297 tox21-ror-cho-viability-p1 set2 4 -0.14365688 2.06642604 3.43974237 -0.9251634 0.39251637 0.78540892 2.2249632 0.43305618 5.07959292 1.82945987 2.21827546 2.55265738 1.62264589 2.54378066 0.73118596 1.1859999999E-9 2.653E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001854 0.00004145 0.00009268 111-87-5 957 144208571 A A 1-Octanol CCCCCCCCO Tox21_201373 -NCGC00259564-01 196708877 tox21-ror-cho-viability-p1 set2 4 -1.69957152 0.70787834 1.84667485 4.90298717 -0.49503194 -0.23683277 -0.24111871 -1.13856043 -0.23187474 -0.83668099 2.29728396 5.27248688 0.14695339 8.12804109 0.34452326 1.1679999999E-9 2.612E-9 5.8409999999E-9 1.3059999999E-8 2.92E-8 6.53E-8 1.4599999999E-7 3.265E-7 7.3009999999E-7 0.0000016319999999 0.0000036499999999 0.000008162 0.00001825 0.00004081 0.00009126 592-31-4 11595 144209213 A A N-Butylurea NC(=O)NCCCC Tox21_202015 -NCGC00258820-01 196709282 tox21-ror-cho-viability-p1 set2 4 2.57893655 -6.71678974 -1.85100772 -2.51837244 -2.64912087 -1.45478223 -5.85532975 -0.36484372 -4.19878712 2.58807885 -2.22607865 -1.83533161 -2.80006972 -5.3169427 -1.60315867 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.679E-8 1.493E-7 3.3389999999E-7 7.467E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004174 0.00009334 760-67-8 79103 144208466 D 2-Ethylhexanoyl chloride CCCCC(CC)C(Cl)=O Tox21_201268 -NCGC00259368-01 196709295 tox21-ror-cho-viability-p1 set2 4 -0.35121915 0.69033549 1.198317 0.03433162 2.6280177 -0.80529136 -0.23441734 0.08016631 0.80285286 0.99593348 4.22445658 1.39355275 8.45652034 6.09955917 6.48405971 1.189E-9 2.66E-9 5.9469999999E-9 1.3299999999E-8 2.9739999999E-8 6.649E-8 1.487E-7 3.325E-7 7.4339999999E-7 0.000001662 0.0000037169999999 0.000008312 0.00001859 0.00004156 0.00009293 479500-35-1 11769095 144209017 A A 1-Butyl-1-methylpyrrolidinium chloride [Cl-].CCCC[N+]1(C)CCCC1 Tox21_201819 -NCGC00259574-01 196709704 tox21-ror-cho-viability-p1 set2 4 4.27648089 1.44323948 -0.03060818 3.97709998 1.05226269 -0.35747312 1.46639311 4.10081879 1.09555022 3.31362429 2.8030029 2.18889045 4.16003071 2.01161065 0.9955851 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041219999999 0.00009218 536-60-7 325 144209223 A A 4-Isopropylbenzyl alcohol OCc1ccc(cc1)C(C)C Tox21_202025 -NCGC00260003-01 196709709 tox21-ror-cho-viability-p1 set2 4 2.72707948 -0.51350515 0.68520167 1.58684226 0.29691856 -3.21101447 -0.51583169 0.87091738 -0.83602293 0.33111054 0.3892074 1.81567102 -0.25792107 1.10410663 -3.60864054 1.188E-9 2.657E-9 5.942E-9 1.3289999999E-8 2.971E-8 6.6429999999E-8 1.4849999999E-7 3.3219999999E-7 7.427E-7 0.0000016609999999 0.000003714 0.000008304 0.00001857 0.00004152 0.00009284 6846-50-0 23284 144209652 A A 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate O=C(OC(C(C)C)C(C)(C)COC(=O)C(C)C)C(C)C Tox21_202454 -NCGC00256012-01 196710114 tox21-ror-cho-viability-p1 set2 4 -2.15861788 -3.50522365 -3.5019514 0.20405929 -1.58164251 1.475508 2.93376329 2.06227897 -5.20010689 2.50148635 -0.31763506 -2.77990836 -2.97111564 0.60074205 -0.98513088 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 36673-16-2 3744660 144212110 F Isopropyl triethanolamine titanate CC(C)O[Ti](OCCN(CCO)CCO)(OC(C)C)OCCN(CCO)CCO Tox21_301793 -NCGC00255347-01 196710130 tox21-ror-cho-viability-p1 set2 4 0.41482628 2.94587488 0.76564573 1.62020328 1.97402715 1.40074009 1.25566771 -2.78696517 -2.2697092 -2.48784953 1.50089727 -1.87164527 -2.31419338 -0.73102504 2.1635492 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23564-06-9 3032792 144212226 A A Thiophanate S=C(Nc1ccccc1NC(=S)NC(=O)OCC)NC(=O)OCC Tox21_301909 -NCGC00255801-01 196710132 tox21-ror-cho-viability-p1 set2 4 -2.52484411 -8.0241659 -5.75817855 -8.27435531 -7.85845245 -2.37974676 -4.12781469 -10.42571507 1.6461694 1.16807808 -4.48709029 -2.83869215 -3.65102063 -1.59420069 -8.58379079 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16489-90-0 86013 144211546 A A 6-Ethoxy-2,3,4-trimethyl-1,2,3,4-tetrahydroquinoline CCOc1ccc2NC(C)(C)CC(C)c2c1 Tox21_301229 -NCGC00255589-01 196710540 tox21-ror-cho-viability-p1 set2 4 2.55562765 3.99779105 0.35393417 1.19799824 0.14988575 1.31902803 1.32492129 -1.07829492 0.51596514 0.43220145 1.29890793 1.2531257 0.63478376 0.94942268 3.15303255 1.1139999999E-9 2.49E-9 5.568E-9 1.2449999999E-8 2.784E-8 6.226E-8 1.3919999999E-7 3.113E-7 6.9599999999E-7 0.000001556 0.0000034799999999 0.000007782 0.0000174 0.000038909999999 0.000087 25638-17-9 60196422 144212087 F Butylnaphthalenesulfonic acid sodium salt [Na+].[O-]S(=O)(=O)c2cccc1ccc(cc12)CCCC Tox21_301770 -NCGC00255908-01 196710547 tox21-ror-cho-viability-p1 set2 4 0.30871212 4.221564 3.96897971 2.0764336 4.76002709 2.04995329 1.31381073 1.55907586 -0.45594529 1.17574998 -0.30896959 -0.33328057 1.5846883 0.24509381 5.61711947 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 383-63-1 9794 144211626 Fns Ethyl trifluoroacetate FC(F)(F)C(=O)OCC Tox21_301309 -NCGC00254406-01 196699341 tox21-ror-cho-viability-p1 set1 4 -2.23029167 -0.77880768 -1.26544472 -2.44456547 -1.41605274 -0.3440029 -2.75879121 0.64999058 -0.53375671 0.19772585 -0.98840701 -2.20517004 1.15287841 -2.51374248 2.66608044 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 556-67-2 11169 144210865 FC Octamethylcyclotetrasiloxane C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 Tox21_300547 -NCGC00254423-01 196698918 tox21-ror-cho-viability-p1 set1 -2.2 30.6378586933 -38.783509216 -0.5 -39.283509216 0.9999999999 0.9610739164 0.0000021111 -0.4658271 -0.82508548 -0.5560455 -0.86202461 1.29624647 -2.05698256 -0.39710179 -0.76838567 0.51871739 -1.17211145 -7.70097857 -12.22898877 -12.3202547 -21.33514702 -32.73625768 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25956-17-6 5360805 144210711 A A Allura Red C.I.16035 [Na+].[Na+].Cc3cc(/N=N/c1c2ccc(cc2ccc1O)S([O-])(=O)=O)c(cc3S(=O)([O-])=O)OC Tox21_300393 -NCGC00179290-03 196726272 tox21-ror-cho-viability-p1 set3 4 -2.35796949 -2.77359757 5.4093114 3.35932081 3.08951732 -1.46197832 -1.52818896 0.54833489 -2.67856206 5.52892047 2.76459289 -1.27041557 -1.71530635 -0.2483339 2.40526784 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33817-20-8 33478 170466065 C Pivampicillin CC(C)(C)C(=O)OCOC(=O)[C@@H]2N3C(=O)[C@@H](NC(=O)[C@H](N)c1ccccc1)[C@H]3SC2(C)C Tox21_110631_1 -NCGC00090708-05 196726261 tox21-ror-cho-viability-p1 set3 -1.1 6.1130564862 -99.7745501282 4.9707863131 -94.8037638151 4.9549173134 0.9856189473 7E-9 1.05824734 1.54705911 9.60145651 0 0 0 14.11662964 0 10.99089524 9.98403157 0.73216661 -81.99505356 -95.08535372 -96.34528843 -88.07621769 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00183108-01 196726274 tox21-ror-cho-viability-p1 set3 4 1.8833631789 -5.105690676 5 -0.105690676 3.9294729863 0.3365457121 0.3343182877 2.02973045 1.55725583 2.37954315 6.32786267 0.14224696 3.78341679 5.59600076 11.12643798 6.93934923 12.83555437 1.17807783 0.48328888 0.03818873 -0.20947482 -0.50474223 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104-32-5 64949 144206602 C C Propamidine N=C(N)c1ccc(cc1)OCCCOc2ccc(cc2)C(=N)N Tox21_113051 -NCGC00256724-01 196726674 tox21-ror-cho-viability-p1 set3 4 0.19463588 0.97351191 4.84373269 5.04770488 1.31520053 4.06087429 8.14334942 7.74826879 8.36770842 8.05895679 -16.64879673 4.66228186 6.15128372 0.18159165 8.36996605 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 1118-39-4 14235 144212885 F F 2-methyl-6-methylideneoct-7-en-2-yl acetate C=CC(=C)CCCC(C)(C)OC(C)=O Tox21_302568 -NCGC00256469-01 196726680 tox21-ror-cho-viability-p1 set3 4 6.1130564862 -10.162612004 -2 -12.162612004 4.9549173134 0.7132657392 0.0326290745 -1.08915368 -6.37044367 -2.14326022 -6.98995262 -7.0513265 1.08566458 -1.11198854 -0.53377706 -0.87704036 -0.59585625 -1.01428369 -11.12708456 -9.19399005 -14.30217667 -12.74919278 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 520-45-6 122903 144213081 A Bc Dehydroacetic acid O=C(C)C1C(=O)C=C(C)OC1=O Tox21_302764 -NCGC00256728-01 196726684 tox21-ror-cho-viability-p1 set3 4 2.1689942904 -10.2037776759 6 -4.2037776759 4.9549173134 0.353186764 0.3164622545 -2.24322136 -0.5091103 -0.78839197 10.29143038 9.92735701 1.003131 9.27030134 11.91114534 10.35069681 9.84492692 -18.91981473 2.16261189 -1.59971204 -0.14329344 -5.29572517 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 474-86-2 223368 144212958 A A Equilin Oc3cc4CC=C1[C@H](CC[C@]2(C)C(=O)CC[C@@H]12)c4cc3 Tox21_302641 -NCGC00357276-01 196724252 tox21-ror-cho-viability-p1 set3 4 -5.28523392 -1.26880428 1.67258951 1.31287727 3.33287616 4.55251289 6.9758603 5.13680224 2.31373603 -6.65853126 3.97931049 -2.14232864 -2.13435853 -2.57341655 -0.75059449 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10061-01-5 5280970 251919704 Fns (Z)-Dichloropropene Cl\C=C/CCl Tox21_303973 -NCGC00260105-01 196724253 tox21-ror-cho-viability-p1 set3 4 0.0017211415 10.243607544 -9.243607544 1 4.0949729863 0.3307952614 0.3555544688 -7.28633962 -0.56714381 -0.4331693 1.8011717 2.71617617 -3.61106261 -3.85903621 6.02112676 0.96796506 5.04810493 4.11559806 4.6499955 -3.43932426 -0.33133453 8.8800873 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.00001842 0.0000412 0.00009212 121-60-8 8481 144209754 F C 4-(Acetylamino)benzenesulfonyl chloride O=S(Cl)(=O)c1ccc(NC(C)=O)cc1 Tox21_202556 -NCGC00091284-03 196721553 tox21-ror-cho-viability-p1 set3 4 -5.36671318 -0.33456438 -1.26354733 -5.25702969 -6.95622213 -8.25335135 -4.14761707 -8.11716175 -12.57493129 3.48329257 -7.14468918 -7.86331658 -4.45824375 1.27167284 -1.75399313 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00091278-03 196721162 tox21-ror-cho-viability-p1 set3 4 -0.60590981 -1.9227003 -0.92316306 -7.80981892 -14.73184308 -1.92231446 -2.74064627 1.00827249 1.00024464 -8.1952055 -0.49179271 0.62861547 -3.07893707 0.55258777 -5.65770746 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00258817-01 196721170 tox21-ror-cho-viability-p1 set3 4 0.0218223555 -5.4048081799 -1 -6.4048081799 4.9549173134 0.4131799362 0.2776994841 -7.36676962 -1.06138637 1.34231414 3.63074506 -8.1095441 -10.33734015 -6.04371962 -6.31526878 -2.99391094 -4.74937108 -9.34368146 -7.60787689 -6.18534656 -4.46732111 -0.59139943 1.1859999999E-9 2.6519999999E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001853 0.000041439999999 0.000092669999999 108-44-1 7934 144208463 A Fc 3-Methylaniline Cc1cc(N)ccc1 Tox21_201265 -NCGC00259593-01 196721171 tox21-ror-cho-viability-p1 set3 4 -6.54710546 -4.98119014 -1.77210992 6.81839198 -3.73039727 -7.61799985 -6.95200864 -7.56396772 -4.04375763 -4.69294949 -6.3779428 -5.18795722 -3.97005211 3.95389012 1.18176456 1.155E-9 2.582E-9 5.7739999999E-9 1.291E-8 2.887E-8 6.456E-8 1.444E-7 3.2279999999E-7 7.2179999999E-7 0.000001614 0.0000036089999999 0.00000807 0.000018039999999 0.00004035 0.00009022 2436-90-0 17090 144209242 FNS 3,7-Dimethylocta-1,6-diene C=CC(C)CC\C=C(\C)C Tox21_202044 -NCGC00259380-01 196721564 tox21-ror-cho-viability-p1 set3 4 24.1633761507 8.35894178 -4.35894178 4 4.9549173134 0.6954313034 0.040821151 -6.21942042 -2.39014186 -5.19602147 -1.4212945 -7.79911815 -4.66568484 -4.96601928 -4.51519797 -4.32129245 -1.04328839 -6.32494558 -3.30470364 -3.85844131 5.59407859 2.62707444 1.173E-9 2.622E-9 5.863E-9 1.311E-8 2.931E-8 6.5549999999E-8 1.466E-7 3.277E-7 7.328E-7 0.0000016389999999 0.000003664 0.000008193 0.00001832 0.000040969999999 0.000091599999999 526-75-0 10687 144209029 A A 2,3-Dimethylphenol Cc1cccc(O)c1C Tox21_201831 -NCGC00259281-01 196721952 tox21-ror-cho-viability-p1 set3 4 -6.41969263 -6.268487 -5.31144464 4.00142659 -5.58735814 -8.52861324 -6.14760566 -6.1992223 -7.26683063 -4.60425051 -5.93379347 -4.66392627 -4.84968013 -2.89502997 -4.09511205 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 120-55-8 8437 144208930 A A Diethylene glycol dibenzoate O=C(OCCOCCOC(=O)c1ccccc1)c2ccccc2 Tox21_201732 -NCGC00259605-01 196721955 tox21-ror-cho-viability-p1 set3 -3 66.5024137346 -37.0595885325 -4 -41.0595885325 4.9549173134 0.9022684586 0.0002880121 -8.80826481 -2.45594531 -2.20072521 0.65830915 -2.80104557 -6.69658067 -4.96894442 -4.43328438 -6.1608302 -4.3816903 -6.97492804 -6.35917661 -6.76181523 -5.59841101 -34.57110201 1.15E-9 2.573E-9 5.752E-9 1.2859999999E-8 2.876E-8 6.431E-8 1.438E-7 3.2159999999E-7 7.1899999999E-7 0.000001608 0.000003595 0.0000080389999999 0.00001798 0.0000402 0.000089879999999 108-38-3 7929 144209254 FC m-Xylene Cc1cccc(C)c1 Tox21_202056 -NCGC00255045-01 196719548 tox21-ror-cho-viability-p1 set3 4 5.66202948 6.82853867 6.25003793 1.44217426 -2.35396634 5.27317683 8.49391334 4.89715416 -3.63048839 3.5186791 -1.04488106 -2.02111822 4.34497796 8.72532769 4.10617447 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-81-5 7580 144211464 A A Diphenylmethane c1ccccc1Cc2ccccc2 Tox21_301147 -NCGC00095042-06 196719104 tox21-ror-cho-viability-p1 set2 4 0.3603002 0.23543172 1.85868009 2.27017565 1.07983777 2.73523974 0.35651739 7.15954165 0.67328761 4.40087003 6.79355432 4.16970593 5.41472537 6.10903545 7.64720606 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.891E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003852 0.000008614 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00254535-01 196719527 tox21-ror-cho-viability-p1 set3 1.2 0.3349145963 33.92010064 9 42.92010064 1.21 0.8521117568 0.0021070009 13.50442875 7.82130892 5.48447341 15.84042234 9.08677807 5.00658791 14.55227264 15.48345366 32.95209777 38.59019227 27.2753446 46.12879645 32.35963376 51.972362 44.51297145 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 149062-75-9 18992283 144210745 A A PharmaGSID_47259 Cl.Clc2cc(Cl)cc1N=C3CCCCCN3Cc12 Tox21_300427 -NCGC00254889-01 196719536 tox21-ror-cho-viability-p1 set3 4 27.3060203028 -14.2549626159 -1.5 -15.7549626159 4.9549173134 0.590805635 0.1037763719 -4.98830836 -8.30226235 1.06599566 3.69877112 -5.09035134 -3.00134926 0.57744407 0.38585841 1.28529235 -3.51666519 -7.09414262 2.71389274 0.90629579 -17.29580218 -13.26629047 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-17-1 8096 144211304 A A Bis(2-carboxyethyl) sulfide OC(=O)CCSCCC(O)=O Tox21_300987 -NCGC00254805-01 196719939 tox21-ror-cho-viability-p1 set3 4 5.4482673282 10.1398286399 -0.1398286399 10 4.9549173134 0.4240183732 0.2658210339 0.51727771 3.14902775 5.0147643 3.17551543 2.89663422 1.33841906 4.82980688 -5.57432586 -7.1998572 -5.07652191 -5.8376983 13.93083626 12.81141955 3.71735477 0.79171603 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104098-48-8 91770 144211218 A A Imazapic O=C1N=C(NC1(C)C(C)C)c2ncc(C)cc2C(=O)O Tox21_300901 -NCGC00091657-02 196725406 tox21-ror-cho-viability-p1 set3 4 -7.93095017 -2.53861544 -3.13818956 -1.62667785 -1.9104256 0.37555767 0.74732628 -2.05300084 -5.1483957 -0.5660654 -1.42987618 -2.49789748 0.0981262 -3.87873478 -2.24545974 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00023234-05 196724994 tox21-ror-cho-viability-p1 set3 4 7.6853396 1.0609198 3.5924873 0.82561411 4.02445912 6.93885957 4.85366153 0.28717972 7.62828091 13.62460931 6.91739473 6.04270828 0.67029156 3.46899409 10.6842878 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1524-88-5 15209 170465298 F Flurandrenolide OCC(=O)[C@@]54OC(C)(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3C[C@H](F)C1=CC(=O)CC[C@@]12C Tox21_110509_1 -NCGC00178352-06 196724997 tox21-ror-cho-viability-p1 set3 -2.1 18.8336317891 -77.0249299559 -4.309979306 -81.3349092619 2.2526478767 0.8709049823 0.0011167396 0.04476455 -2.33241142 -10.00091674 -12.64126735 -1.76653516 -12.21341009 -11.06119709 -13.32843577 6.44976901 6.63395271 -13.29059478 6.45455571 -15.93410488 -49.16585097 -71.46584035 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1715-30-6 102678 170466240 A Alexidine dihydrochloride Cl.Cl.CCCCC(CC)CNC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NCC(CC)CCCC Tox21_111380_1 -NCGC00015718-12 196725402 tox21-ror-cho-viability-p1 set3 4 -0.26581517 -2.18242274 -8.80258789 -6.30532375 -5.67685245 -24.16256257 -19.40512633 5.72345701 -3.09054674 6.25546035 -4.12722944 -5.11348321 -17.97905523 -21.5033846 -0.95065039 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57149-07-2 4418 170466026 A Naftopidil OC(CN1CCN(CC1)c2ccccc2OC)COc4cccc3ccccc34 Tox21_110205_1 -NCGC00263473-01 196725410 tox21-ror-cho-viability-p1 set3 4 3.74231099 1.14734624 7.49116008 -0.5016858 3.60060714 -0.52536962 -1.24630507 0.00479779 -0.94786904 4.83998863 5.95754594 -0.41928189 0.26581839 4.17920629 5.61248049 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5072-45-7 6420071 170466506 Z cis-Nanophine hydrochloride Cl.C[C@@H]1CCC[C@H](C)N1 Tox21_110546_1 -NCGC00260234-01 196703375 tox21-ror-cho-viability-p1 set1 4 4.48468479 -5.98443179 4.27500118 3.89084061 6.72805499 2.22073117 4.02709235 -0.46221654 4.91514566 -0.73582017 -5.87377326 3.00109363 1.26398178 -5.77647322 1.76366946 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.309E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008272 0.0000185 0.00004136 0.00009248 597581-48-1 17841257 144209884 A A 1-Butyl-3-methylpyridinium tetrafluoroborate Cc1ccc[n+](CCCC)c1.F[B-](F)(F)F Tox21_202686 -NCGC00259784-01 196703356 tox21-ror-cho-viability-p1 set1 4 30.3576587038 -11.05695468 -1 -12.05695468 2.2481167061 0.7944291688 0.0090937895 0.9615272 -1.63206812 -1.15614687 0.33582418 -3.0999773 -0.29408359 1.27173172 -1.37655548 -3.96009703 1.5329844 -1.91949379 -0.06258699 -4.65134369 -7.2024683 -11.7141289 1.171E-9 2.6189999999E-9 5.856E-9 1.3089999999E-8 2.9279999999E-8 6.547E-8 1.464E-7 3.274E-7 7.3199999999E-7 0.000001637 0.00000366 0.0000081839999999 0.0000183 0.00004092 0.0000915 126-07-8 441140 144209433 A A Griseofulvin O=C2c3c(O[C@]12C(=CC(=O)C[C@H]1C)OC)c(Cl)c(OC)cc3OC Tox21_202235 -NCGC00357279-01 196703359 tox21-ror-cho-viability-p1 set1 4 -3.28446236 -3.30225183 0.54007259 -3.55045473 1.30472421 -4.32096643 -0.41483698 -0.9484738 -3.494721 0.18705037 4.18805817 0.34798912 0.11981092 -3.02335007 0.70358615 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-01-0 1127 251919825 Fns Tetrahydrothiophene C1CCCS1 Tox21_304026 -NCGC00357189-01 196703367 tox21-ror-cho-viability-p1 set1 -2.4 22387.2113856834 -22.7064168519 1.5 -21.2064168519 3.0654483358 0.7688432771 0.0143516733 3.15568682 1.3909574 5.6047515 2.62470413 -7.95621167 2.20910071 2.05161989 -0.4138934 -0.05642343 0.18375138 3.93893948 2.2012929 1.35434185 -6.76850703 -29.33868071 5.917E-7 0.0000013229999999 0.000002959 0.0000066159999999 0.000014789999999 0.000033079999999 0.00007397 0.0001654 0.0003698 0.00082699999999 0.001849 0.004135 0.0092459999 0.0206699999 0.04623 68424-85-1 8755 251919696 A Quaternary ammonium compounds, benzyl-C12-16-alkyldimethyl, chlorides [Cl-].C[N+](C)(Cc1ccccc1)CCCCCCCCCCCCCC Tox21_303955 -NCGC00247697-01 196704184 tox21-ror-cho-viability-p1 set1 4 -1.36012172 -0.08955102 0.64728833 -4.30378551 -0.87680541 -2.33510458 -0.71207624 0.90829573 0.76481082 0.36703121 5.58808452 0.75196473 0.34357124 -0.28280161 -0.40629803 1.304E-9 2.915E-9 6.518E-9 1.4569999999E-8 3.259E-8 7.287E-8 1.6289999999E-7 3.644E-7 8.1469999999E-7 0.0000018219999999 0.0000040739999999 0.000009109 0.00002037 0.000045549999999 0.0001018 79278-88-9 60196324 144206400 A A N-Phenyl-N-[1-[2-(2-thienyl)ethyl]-4-piperidyl]propanamide hydrochloride (1:1) Cl.CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3cccs3 Tox21_112847 -NCGC00253713-01 196704189 tox21-ror-cho-viability-p1 set1 4 1.71606339 3.76686324 0.51063498 1.72245793 0.50506672 8.63643694 -0.32236748 0.73809925 0.17180915 1.85543232 0.31525361 0.39972693 -0.01987643 0.39643863 0.45152463 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72479-26-6 51755 170466486 Ac Ac Fenticonazole nitrate Clc4ccc(C(OCc2ccc(Sc1ccccc1)cc2)Cn3ccnc3)c(Cl)c4 Tox21_113832 -NCGC00357272-01 196703388 tox21-ror-cho-viability-p1 set1 4 -0.02071162 -2.59875559 6.98233296 -0.58349464 -6.26916246 -1.05787139 -0.2753014 -2.12756571 3.12766004 0.43263803 -1.44119007 -1.24520146 3.04806642 1.43490457 1.00018191 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 150-46-9 9009 251919766 F Triethyl borate CCOB(OCC)OCC Tox21_303940 -NCGC00260214-01 196702984 tox21-ror-cho-viability-p1 set1 4 0.16172553 -0.0353283 -0.73833389 0.13112917 1.06487051 0.12757119 -8.66421461 -0.09981496 -22.55371781 8.15097635 3.66207048 0.50964915 -0.30743885 2.57899667 1.78715605 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004128 0.00009231 NOCAS_49385 57369982 144209864 A A 1-Butyl-1-methylpiperidinium hexafluorophosphate F[P-](F)(F)(F)(F)F.C[N+]1(CCCC)CCCCC1 Tox21_202666 -NCGC00260521-01 196703378 tox21-ror-cho-viability-p1 set1 4 3.21607021 0.81820227 1.60041003 2.32561073 -0.57340532 5.21200995 -1.97777711 -0.56742979 1.51548831 0.29231395 -1.02289904 0.254275 0.70348056 2.14932314 1.56370885 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.6299999999E-8 1.4829999999E-7 3.315E-7 7.4129999999E-7 0.0000016579999999 0.0000037059999999 0.000008288 0.00001853 0.000041439999999 0.00009266 120-75-2 8446 144210173 A A 2-Methylbenzothiazole Cc1nc2ccccc2s1 Tox21_202975 -NCGC00260407-01 196703387 tox21-ror-cho-viability-p1 set1 4 -1.00031098 -1.07997752 -0.92954057 -5.95407035 -3.52316156 -3.70954172 -2.13271243 1.32047387 -2.01714157 -6.0181943 -0.31695045 0.88855404 -2.28166295 -1.3793855 -0.39262782 5.885E-10 1.3159999999E-9 2.943E-9 6.58E-9 1.471E-8 3.29E-8 7.3559999999E-8 1.645E-7 3.678E-7 8.225E-7 0.0000018389999999 0.000004112 0.000009195 0.000020559999999 0.00004598 629-72-1 12394 144210059 F Fns 1-Bromopentadecane BrCCCCCCCCCCCCCCC Tox21_202861 -NCGC00260023-01 196703393 tox21-ror-cho-viability-p1 set1 4 0.12532874 10.75229278 0.90363876 -2.33179073 -2.04295744 1.95319873 7.92274178 -0.97403029 2.25283599 1.61373474 2.26699278 -1.4792932 -1.89560371 -0.63144466 0.81741208 5.931E-10 1.3259999999E-9 2.966E-9 6.6309999999E-9 1.483E-8 3.316E-8 7.414E-8 1.658E-7 3.7069999999E-7 8.2889999999E-7 0.0000018529999999 0.000004144 0.000009267 0.000020719999999 0.00004634 129-15-7 31426 144209672 A Ac 2-Methyl-1-nitroanthraquinone [O-][N+](=O)c3c(C)ccc2C(=O)c1ccccc1C(=O)c23 Tox21_202474 -NCGC00260130-01 196703800 tox21-ror-cho-viability-p1 set1 4 -0.14203022 0.17837237 0.2728463 -0.36787537 1.15575434 1.10681949 -0.08574228 0.46122224 -0.37142874 1.32488379 1.88725475 0.21375595 5.91468369 0.01120148 -2.13372077 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.971E-8 6.6439999999E-8 1.486E-7 3.3219999999E-7 7.429E-7 0.0000016609999999 0.000003714 0.000008305 0.00001857 0.00004153 0.00009286 16872-11-0 28118 144209779 Borate(1-), tetrafluoro-, hydrogen [H+].F[B-](F)(F)F Tox21_202581 -NCGC00260649-01 196703802 tox21-ror-cho-viability-p1 set1 4 -1.57248689 3.68711594 2.55726924 0.67797595 -1.83702022 0.07594455 4.71909132 1.41786897 5.44781721 -0.52053249 1.03259416 2.69519605 1.37383961 -0.63580354 3.39504023 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49545 144210302 M M NTP Mix90 ER AR1 18-EQP Tox21_203104 -NCGC00163919-02 196716425 tox21-ror-cho-viability-p1 set2 4 35.1818565023 -15.706610916 -0.5 -16.206610916 0.8999999999 0.8212309852 0.0050005242 -0.39134857 -0.17881127 -0.96640013 0.06338797 0.76545716 2.86531325 -3.42188122 -1.52353283 -0.95336147 -1.81619994 -4.52493403 -4.42599596 -3.74320335 -7.66589057 -14.33884243 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00258020-01 196716412 tox21-ror-cho-viability-p1 set2 4 3.20211379 0.60915738 1.48543173 3.72257677 5.00321814 -0.36310025 -0.11726682 2.07682335 1.57488361 1.72995551 -1.06541038 3.77075404 1.49666517 1.25141798 0.98522355 1.1679999999E-9 2.612E-9 5.8409999999E-9 1.3059999999E-8 2.9209999999E-8 6.531E-8 1.4599999999E-7 3.265E-7 7.3019999999E-7 0.0000016329999999 0.0000036509999999 0.000008164 0.00001825 0.00004082 0.00009127 27554-26-3 33934 144207664 A A Diisooctyl phthalate CC(C)CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C Tox21_200466 -NCGC00257890-01 196716417 tox21-ror-cho-viability-p1 set2 4 61.3793157847 8.6904638319 -3.6904638319 5 0.3 0.3109364627 0.3628125089 -0.2572259 -5.99786567 -2.15484243 -7.65871986 -3.25920071 -1.61858148 -1.16151002 -1.71271808 -0.20343908 -1.11465195 -0.36901874 -3.21040661 0.67610168 -2.47403622 3.27323511 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.96E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 594-71-8 11673 144207534 AC C 2-Chloro-2-nitropropane CC(C)(Cl)[N+]([O-])=O Tox21_200336 -NCGC00258090-01 196716424 tox21-ror-cho-viability-p1 set2 4 0.94578989 5.38276594 3.11509844 4.24208622 4.11007527 1.43056244 4.33560667 3.58740609 6.43403372 5.86029526 1.64808499 3.73293313 2.97804181 1.80818369 2.96225296 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.397E-7 0.0000016539999999 0.0000036989999999 0.0000082699999999 0.000018489999999 0.00004135 0.00009247 594-65-0 61144 144207734 A 2,2,2-Trichloroacetamide ClC(Cl)(Cl)C(N)=O Tox21_200536 -NCGC00095792-03 196716821 tox21-ror-cho-viability-p1 set2 4 3.10629375 3.46109237 -0.06445394 0.3520733 4.21085968 4.40206962 1.7670317 2.23300137 -1.18666076 -0.36789308 1.04002467 -0.61972661 2.94546818 1.34280797 2.46012003 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83-40-9 6738 170466576 Ac 2-Hydroxy-3-methylbenzoic acid OC(=O)c1cccc(C)c1O Tox21_111523_1 -NCGC00357231-01 196711445 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -16.1945502719 3.5 -12.6945502719 4.9549173134 0.8279322194 0.0042483796 1.80367842 1.75343755 0.51371329 3.35462561 4.38109479 5.02969637 4.67135484 2.25179206 6.08561953 3.42675002 2.47636254 5.48949498 4.75143349 2.13506621 -9.74545856 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 791-31-1 69925 251919732 A Triphenylsilanol O[Si](c1ccccc1)(c2ccccc2)c3ccccc3 Tox21_304018 -NCGC00255214-01 196711045 tox21-ror-cho-viability-p1 set2 -2.4 48.5577336745 -29.0351552399 -1.690927092 -30.7260823319 2.4063783767 0.9622285516 0.0000017922 -4.18388598 -0.88511993 -2.39508402 -4.21673176 -0.84669576 -1.54792852 -2.23497616 -1.83472615 -0.56660695 -0.15910591 -0.44795318 -0.34572343 -3.23852276 -13.22742403 -25.60506861 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-04-6 79688 144211795 A A 2-Chloro-4-phenylphenol Clc2cc(O)ccc2c1ccccc1 Tox21_301478 -NCGC00260337-01 196711439 tox21-ror-cho-viability-p1 set2 4 1.1047841008 -12.1303017199 0 -12.1303017199 2.4063783767 0.6818022369 0.046779585 0.08294573 0.21049308 0.58660575 -2.95449938 -0.4572049 -0.54214283 0.58476277 0.23485887 -3.20597938 -8.73105825 -10.71506568 -15.75652755 -15.30983446 -0.31797305 -17.1919181 1.196E-9 2.6749999999E-9 5.981E-9 1.337E-8 2.9899999999E-8 6.6869999999E-8 1.4949999999E-7 3.3429999999E-7 7.476E-7 0.0000016719999999 0.0000037379999999 0.0000083589999999 0.00001869 0.00004179 0.00009345 6385-58-6 22882 144209989 A A Sodium bithionolate [Na+].[Na+].[O-]c2c(Sc1cc(Cl)cc(Cl)c1[O-])cc(Cl)cc2Cl Tox21_202791 -NCGC00357209-01 196711440 tox21-ror-cho-viability-p1 set2 4 -2.35575416 -2.69475757 -2.81744631 -4.41698889 -1.31616445 1.46590688 -1.10124473 -0.22456113 1.59751822 -2.713278 -1.64017487 -0.42739842 0.08852393 -3.74204438 -6.724052 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 635-22-3 12477 251919933 A 4-Chloro-3-nitroaniline O=[N+]([O-])c1cc(N)ccc1Cl Tox21_303987 -NCGC00357062-01 196711457 tox21-ror-cho-viability-p1 set2 -2.4 12.1971512362 -69.0512140149 -5.659935575 -74.7111495899 0.4 0.5874793473 0.5397011125 -3.01890259 -11.48613138 -4.64982373 -14.04324416 -11.83137749 -38.94487126 -73.12913955 -5.93211909 -19.77715978 0 -51.79737606 -35.96709548 0 -56.59935575 -51.19088153 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122454-29-9 183559 251919761 A Tralopyril Brc1c(C#N)c(nc1C(F)(F)F)c2ccc(Cl)cc2 Tox21_303769 -NCGC00356946-01 196711857 tox21-ror-cho-viability-p1 set2 1.1 2.9849294812 174.1669447682 1.0707574242 175.2377021924 1.92824246 0.9927033044 1E-10 -0.64379476 2.32478981 1.85449068 0.13611223 2.27063081 2.59511805 3.13395808 3.25250885 5.22830095 13.03447029 42.92741839 125.22886799 142.55384275 171.25512735 183.68731886 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98105-99-8 56208 251919829 A Sarafloxacin Fc1ccc(cc1)N2C=C(C(=O)O)C(=O)c3cc(F)c(cc23)N4CCNCC4 Tox21_303838 -NCGC00090776-02 196711861 tox21-ror-cho-viability-p1 set2 4 -5.99244507 -22.58394864 -14.2147995 -23.48871605 -5.36839011 0 -23.04072833 -8.31351867 -6.64907667 0 -14.85657796 0 -0.82150066 -6.53849386 -14.38135911 1.164E-9 2.6039999999E-9 5.822E-9 1.302E-8 2.911E-8 6.509E-8 1.4549999999E-7 3.255E-7 7.2769999999E-7 0.0000016269999999 0.000003639 0.000008136 0.00001819 0.00004068 0.000090969999999 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00256736-01 196719243 tox21-ror-cho-viability-p1 set2 4 3.06182283 -1.61440749 -0.3428542 -0.40335747 2.60294842 -7.09695049 -0.56664151 -3.4639939 -6.7106537 -3.2056299 2.43543942 -0.01535878 0.07604943 1.61986807 1.47414393 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4927-39-3 78640 144213941 A Ac 4-Cyclohexyl-4-methyl-pentan-2-one CC(=O)CC(C)(C)C1CCCCC1 Tox21_303636 -NCGC00255087-01 196719660 tox21-ror-cho-viability-p1 set3 4 7.6958821542 8.793387336 -0.293387336 8.5 4.9549173134 0.5516055361 0.1346721902 1.41915401 2.84557448 2.94984218 -1.50357461 4.84794405 -2.20744713 -3.60857409 2.09463416 1.32478132 -3.49077638 -7.32782278 6.36987802 6.91002318 11.76533267 6.48259607 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4812-20-8 20949 144211506 A A 2-Isopropoxyphenol CC(C)Oc1ccccc1O Tox21_301189 -NCGC00094521-05 196719665 tox21-ror-cho-viability-p1 set3 4 -4.06657956 -4.84954712 -9.84313971 4.06386836 -3.74560288 -3.05739731 -3.09756615 -1.36350814 -0.57891547 0.5339722 -3.22823616 0.76781439 -2.94401647 0.14565964 0.78657156 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00255023-01 196719671 tox21-ror-cho-viability-p1 set3 4 -6.97040642 2.02233085 4.52056184 8.93178787 9.75302842 1.14084307 10.19908465 -0.13739084 -1.02452298 -2.48708315 0.37180322 0.44704189 14.18287686 12.65165496 6.44237847 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2235-00-9 75227 144211441 F 1-Ethenylazepan-2-one C=CN1CCCCCC1=O Tox21_301124 -NCGC00254427-01 196719672 tox21-ror-cho-viability-p1 set3 4 0.0968854161 7.54847324 0.95152676 8.5 4.9549173134 0.5768977969 0.114657063 0.61724852 -0.39709615 1.58498789 6.16455909 -3.3737277 1.99516471 8.32519142 10.40016787 5.04469915 9.2742516 13.79523118 5.3203622 11.4687459 5.02286335 5.31156436 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-13-0 454 144210655 CC Fns Octanal CCCCCCCC=O Tox21_300337 -NCGC00254898-01 196720079 tox21-ror-cho-viability-p1 set3 4 -7.46622094 -5.09503375 0.72163804 1.80205363 -1.94941911 0.31437254 -0.27607814 -8.50518301 3.53443217 2.16314631 -6.89594852 -5.5100722 2.8734676 -8.261856 3.38649381 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 624-48-6 5271565 144211313 A Ac Dimethyl maleate COC(=O)/C=C\C(=O)OC Tox21_300996 -NCGC00179680-05 196717820 tox21-ror-cho-viability-p1 set2 4 -2.49306008 2.4692186 -0.67276882 -5.28006683 -2.31059441 -2.34850723 3.44707329 -0.94320782 -1.51252841 1.36970234 2.71981462 0.78854604 1.58867431 0.01313654 3.51371612 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4205-90-7 2803 170464900 A Clonidine Clc2cccc(Cl)c2\N=C1/NCCN1 Tox21_110118_1 -NCGC00259836-01 196721536 tox21-ror-cho-viability-p1 set3 4 -1.86913691 3.85769183 3.51878639 7.22545526 -2.4760379 0.79682394 -6.3386997 -3.12524036 -3.05378414 0.21808521 -1.79088339 -1.47152772 1.01325747 3.62069897 -0.01751871 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3839999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004128 0.00009229 614-45-9 11966 144209485 D tert-Butyl perbenzoate CC(C)(C)OOC(=O)c1ccccc1 Tox21_202287 -NCGC00259845-01 196721538 tox21-ror-cho-viability-p1 set3 4 27.3337914917 12.224998016 -2.224998016 10 4.9549173134 0.7437202102 0.0216074033 -3.46920724 -1.1511709 4.30218996 0.17278016 -3.07662515 -1.7159975 -3.13135886 -1.60527425 -4.77083168 -2.37760943 -4.29714926 -3.58721185 -2.6804622 10.3030467 8.31947206 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004125 0.00009223 68515-48-0 590836 144209494 A Z DINP branched CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C Tox21_202296 -NCGC00259207-01 196721540 tox21-ror-cho-viability-p1 set3 4 27.0008485839 10.4813658599 -0.4813658599 10 4.9549173134 0.7924375929 0.0094206155 0.65542711 2.84311901 -3.04026266 -0.74097242 1.37455516 -0.39134394 0.17359073 0.81432386 -3.73447155 -1.22414339 -2.83478148 0.69993147 -0.4596787 10.05740431 9.34569545 1.1689999999E-9 2.614E-9 5.845E-9 1.3069999999E-8 2.9229999999E-8 6.535E-8 1.461E-7 3.268E-7 7.3069999999E-7 0.0000016339999999 0.000003653 0.000008169 0.00001827 0.00004084 0.00009133 78-70-6 6549 144208856 A A Linalool CC(O)(C=C)CC\C=C(\C)C Tox21_201658 -NCGC00183095-01 196717811 tox21-ror-cho-viability-p1 set2 4 2.21768107 1.06959221 2.12390552 2.83298677 3.4419331 2.99529889 1.83856732 2.97365629 1.31807896 0.20649674 3.72399431 0.28447667 0.470904 -0.33928896 0.29354949 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 220620-09-7 54686904 144206463 D D Tigecycline CC(C)(C)NCC(=O)Nc1cc(N(C)C)c2C[C@H]3C[C@H]4[C@@H](C(O)=C(C(=O)[C@@]4(O)C(O)=C3C(=O)c2c1O)C(N)=O)N(C)C Tox21_112910 -NCGC00016710-05 196717812 tox21-ror-cho-viability-p1 set2 4 1.8833631789 -9.561122332 3.5 -6.061122332 1.0999999999 0.7198588481 0.0301211763 1.75611628 0.94720198 0.93716873 2.35430664 3.29374592 5.2341425 7.66607034 6.53045647 0.80759045 -2.37575104 -0.63190248 -1.56905334 -4.93901948 -7.13426861 -5.02739376 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14976-57-9 5281069 170465318 A Clemastine fumarate CN3CCC[C@@H]3CCO[C@](C)(c1ccccc1)c2ccc(Cl)cc2.O=C(O)/C=C/C(=O)O Tox21_110574_1 -NCGC00165976-02 196717819 tox21-ror-cho-viability-p1 set2 4 2.73583871 0.25710792 0.30096708 1.99451787 7.22043941 7.5746793 3.51402882 0.9147082 1.26981906 0.7094494 0.4692859 0.14577723 -0.0804474 0.71924591 0.83044647 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 111-01-3 8089 170465658 F Squalane CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C Tox21_112277_1 -NCGC00257229-01 196718226 tox21-ror-cho-viability-p1 set2 4 -0.14632538 0.30880471 -0.98223808 0.99054135 -1.19278034 0.54145683 -2.21372542 -0.78427378 -1.56781089 -0.83596455 0.55812741 -2.20749021 -0.22493656 1.70012279 7.33523127 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.586E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.0000036819999999 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009204 1646-88-4 9570093 144213583 A A Aldoxycarb CC(C)(/C=N/OC(=O)NC)S(C)(=O)=O Tox21_303266 -NCGC00256784-01 196718228 tox21-ror-cho-viability-p1 set2 4 -1.86542233 -1.34365156 0.10798142 3.30937498 3.22060676 2.52885627 2.49498194 7.56464532 5.38771821 2.15896324 -1.42625579 4.58406923 4.75841704 7.51860804 1.46797731 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 3188-00-9 18522 144212917 F 2-Methyldihydrofuran-3(2H)-one CC1OCCC1=O Tox21_302600 -NCGC00257298-01 196718239 tox21-ror-cho-viability-p1 set2 2.1 49.9323395568 80.459973377 -1.1503746835 79.3095986935 3.1924983358 0.9877541396 2.7E-9 -3.99031461 -0.7486441 -2.30297678 0.68372676 -1.08434467 -3.38904374 -0.52884485 -0.29870482 -1.32004724 -1.52098725 2.38994967 2.74347477 -1.00485592 19.19551581 63.24962842 9.969E-10 2.229E-9 4.9839999999E-9 1.1149999999E-8 2.492E-8 5.573E-8 1.246E-7 2.786E-7 6.23E-7 0.000001393 0.000003115 0.000006966 0.00001558 0.00003483 0.000077879999999 NOCAS_48172 60196440 144213807 A A PharmaGSID_48172 O=C(O)/C=C/C(=O)O.O=C5c1ccccc1C(=O)N5CCc2nc(on2)c4ccc(CN3CCCCCC3)s4 Tox21_303499 -NCGC00257221-01 196718240 tox21-ror-cho-viability-p1 set2 4 27.3060203028 -12.570637536 0 -12.570637536 0.7999999999 0.8736388792 0.001042894 0.2016006 -0.9736959 -1.04013906 0.77913465 -0.80863057 0.0931107 1.11209595 -0.95124034 -0.63328338 -2.36452278 -2.29638085 -1.09267768 -7.52139564 -6.73813603 -9.22553128 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-90-7 6505 144213445 A A Acetyl tributyl citrate CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC Tox21_303128 -NCGC00090986-03 196716841 tox21-ror-cho-viability-p1 set2 4 69.008347349 -19.274617804 3 -16.274617804 4.9549173134 0.8044217626 0.0073243362 1.53530862 -1.24639364 6.54005506 4.71231819 2.52762486 4.15498496 5.43580039 2.36584415 3.41515574 2.73668223 1.53964718 0.22556795 2.81933537 2.61372368 -12.72884817 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00160503-02 196717239 tox21-ror-cho-viability-p1 set2 4 1.71618343 -2.99590436 2.66041495 -2.62763409 2.23966715 -4.36032917 -4.24729108 -5.65254824 -2.54260885 -4.48763977 0.7445313 -0.14864952 -3.83415762 0.42814331 2.08314125 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35619-65-9 65790 170466560 A Tritiozine S=C(c1cc(OC)c(OC)c(OC)c1)N2CCOCC2 Tox21_111860_1 -NCGC00249911-01 196716829 tox21-ror-cho-viability-p1 set2 4 0.219633 1.93954835 0.04310113 -0.28520873 0.02356997 -1.158292 3.07486045 2.27548215 3.23580769 -0.54165135 0.05168597 -1.02349899 -0.38689389 0.90804979 1.60594753 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 467-85-6 10090 170465674 A Normethadone CCC(=O)C(CCN(C)C)(c1ccccc1)c2ccccc2 Tox21_113687 -NCGC00166104-04 196716836 tox21-ror-cho-viability-p1 set2 4 0.084126743 -2.98493134 1 -1.98493134 4.9549173134 0.3827207229 0.2945859726 -1.09763014 0.12738167 1.72318785 0.19839119 -0.32718183 6.87216575 -0.1257049 -1.90766443 -1.32243052 -0.58583937 -4.15410945 -0.57231971 -1.97445536 -1.78654995 -2.18706666 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 940-69-2 863 170465868 Bc alpha-Lipoic acid amide NC(=O)CCCCC1CCSS1 Tox21_112317_1 -NCGC00015924-12 196717246 tox21-ror-cho-viability-p1 set2 4 0.4730794415 11.6261968 -7.6261968 4 0.4 0.800075196 0.008089874 -6.93803535 -5.08709558 -6.9925911 -7.605164 -4.31571027 -5.10922377 -0.27716606 -4.09583268 -2.27909786 -4.659064 0.08875775 2.01427388 2.39831049 2.47754769 1.68246894 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-07-5 7172 170466681 Z Synephrine OC(CNC)c1ccc(O)cc1 Tox21_110390_1 -NCGC00249920-01 196717253 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -28.069150496 2.5 -25.569150496 0.6999999999 0.7436620657 0.0215148596 -0.57312608 0.95512734 1.22572768 2.91294102 3.44743763 6.85915563 3.62565454 5.46664438 -0.98682503 -2.77021363 -3.00586562 -3.6217032 -4.28230314 -3.96074154 -17.97429208 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 912-57-2 101905 170465905 F A Nandrolone cyclohexylpropionate O=C5CC[C@H]4C(CC[C@@H]3[C@@H]4CC[C@@]2(C)[C@H]3CC[C@@H]2OC(=O)CCC1CCCCC1)=C5 Tox21_113696 -NCGC00091775-03 196717257 tox21-ror-cho-viability-p1 set2 4 6.8589621897 -17.097794536 -2 -19.097794536 2.4063783767 0.8844387338 0.0006597257 -2.74551443 -5.67727223 -2.85012963 1.16488843 -4.66091089 -1.47868016 0.92183482 -0.98408427 1.20703458 -4.83072177 -2.33403019 -14.15858151 -16.20421424 -16.00639287 -22.16482878 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00274085-01 196717659 tox21-ror-cho-viability-p1 set2 4 0.57455458 -0.0326254 4.14550102 4.10833743 6.40847908 6.00202024 7.12123758 5.90966236 4.45458251 3.45903187 3.32218899 0.12443 -0.67354725 -0.53783094 2.03498068 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 30964-13-7 122685 170466869 A 1,5-Dicaffeoylquinic acid O[C@H]2[C@H](O)C[C@](C[C@H]2OC(=O)C=Cc1ccc(O)c(O)c1)(OC(=O)C=Cc3ccc(O)c(O)c3)C(=O)O Tox21_111176_1 -NCGC00095041-08 196717663 tox21-ror-cho-viability-p1 set2 4 -0.69834945 0.20936122 -1.18125856 0.61664028 4.09311341 4.0220802 1.43383979 3.9803377 -0.94417686 -1.54529331 0.42419056 0.39557545 0.59955917 -0.03625135 4.57197045 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-79-6 5641 170466651 F Urethane NC(=O)OCC Tox21_111398_1 -NCGC00253630-01 196717675 tox21-ror-cho-viability-p1 set2 4 3.73697642 -2.18510847 -1.37900551 2.20701905 4.69211526 1.55119167 3.98044001 1.94386888 0.15473003 0.52115756 4.62986602 -0.70312684 -1.51057656 1.59820009 -4.37011407 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 494-19-9 10308 170466725 A A 10,11-Dihydro-5H-dibenz[b,f]azepine c1cc2Nc3ccccc3CCc2cc1 Tox21_113758 -NCGC00183103-01 196718073 tox21-ror-cho-viability-p1 set2 4 0.0016785492 13.146327804 -10.146327804 3 2.6384283767 0.8480160615 0.0024259493 -10.95527317 -4.5766432 -0.49817897 3.57998674 4.60291213 3.59279247 3.60579653 3.9537173 0.67486962 4.12410559 -0.66179045 0.93003034 4.00772445 4.68715161 4.33987336 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 9002-96-4 9938056 144206517 F Ac Tocophersolan O=C(OCCO)CCC(=O)Oc2c(C)c(C)c1O[C@@](C)(CCc1c2C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C Tox21_112964 -NCGC00257034-01 196727423 tox21-ror-cho-viability-p1 set3 4 5.3018216 -0.94461255 0.23392391 4.30542683 3.60069534 4.10653414 6.33179934 0.42979129 2.04271359 4.30980182 2.13311969 2.18124835 3.0570332 2.15498735 3.59645175 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-07-2 8160 144213547 B Ac 2-Butoxyethyl acetate O=C(C)OCCOCCCC Tox21_303230 -NCGC00256190-01 196727821 tox21-ror-cho-viability-p1 set3 4 1.98696414 -1.96705386 1.35218926 -0.74294435 6.07884856 0.98832633 9.83731333 2.55934416 7.38051816 2.02250938 2.51245276 0.59763991 2.05857999 0.99404278 2.5042351 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67953-08-6 21118222 144212556 A A N2-(4-Nitrophenyl)-L-glutamine hydrochloride Cl.O=C(O)[C@H](CCC(N)=O)Nc1ccc(cc1)[N+]([O-])=O Tox21_302239 -NCGC00090885-03 196727403 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -24.7499417919 -2.5 -27.2499417919 4.4494702849 0.7680007414 0.014667844 2.93005867 -2.24134944 -3.2870416 -3.36532283 -5.72770968 -4.94820977 -6.44757474 -0.63739248 -4.04636894 -1.97849149 -3.75861872 0.76696209 -2.8097434 -3.43906923 -19.79161816 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00256623-01 196727410 tox21-ror-cho-viability-p1 set3 4 -6.19855461 -5.62300119 2.3240275 -6.05974335 -11.62843991 -5.84527367 -3.24962248 -9.14455229 -14.13008508 0 -0.15881043 -5.4183828 -10.95309321 -2.54666847 -4.2128982 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3352-87-2 18783 144212794 A Ac N,N-Diethyldodecanamide CCN(CC)C(=O)CCCCCCCCCCC Tox21_302477 -NCGC00255668-01 196727822 tox21-ror-cho-viability-p1 set3 4 21.6899429044 6.4237582399 -1.4237582399 5 2.2526478767 0.3382168751 0.3337619901 -2.17737492 3.14708638 -2.06380338 2.19382904 -6.1864652 -0.99293964 -4.34547084 -4.99143515 -1.8110438 2.41466514 -3.82563698 1.94342536 -0.87579017 5.45683522 3.71826768 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76-49-3 442460 144212050 A Ac Bornyl acetate CC(=O)O[C@@H]1CC2CCC1(C)C2(C)C Tox21_301733 -NCGC00256160-01 196728251 tox21-ror-cho-viability-p1 set3 4 -2.34636353 15.33608937 24.66101137 16.06629513 14.59630897 16.17430718 15.81228409 18.25290392 13.26030042 12.28468948 17.25301151 10.58616589 5.91923512 6.61228796 7.66210832 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 24168-70-5 520098 144212140 A A 2-sec-Butyl-3-methoxypyrazine COc1nccnc1C(C)CC Tox21_301823 -NCGC00255402-01 196728253 tox21-ror-cho-viability-p1 set3 1.4 0.273060203 36.478289268 -8.478289268 28 0.3 0.7410881705 0.0285573525 1.90191166 -6.64857439 2.33095552 -2.68115248 0.3857544 12.66772248 10.64521858 15.85503994 8.593554 9.82431435 9.60555393 24.44780666 23.23759356 20.13184119 -3.5127053 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 29457-72-5 23677927 144212636 Lithium perfluorooctane sulfonate [Li+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_302319 -NCGC00257539-01 196728254 tox21-ror-cho-viability-p1 set3 4 -0.79848378 -3.98879195 5.45357 -3.7708809 -6.61196203 -1.90658327 -2.74973291 1.27326263 -2.44179737 -1.96966629 -0.72722406 5.30874471 -0.06688848 0.99524878 -1.19016846 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 62-55-5 2723949 144211612 A A Thioacetamide CC(N)=S Tox21_301295 -NCGC00255476-01 196728261 tox21-ror-cho-viability-p1 set3 4 -0.12430534 1.39835095 -2.5171733 1.37508215 4.20117272 -0.02389276 8.00535526 5.6779271 -0.2161584 4.83825013 -2.58150701 -1.35805688 -0.59744157 1.25315447 -0.85614586 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 541-53-7 2758725 144212266 A B 2,4-Dithiobiuret NC(=S)NC(N)=S Tox21_301949 -NCGC00255156-01 196728657 tox21-ror-cho-viability-p1 set3 4 -4.40571498 -0.55779519 -0.65622533 -1.51794979 2.48217564 4.23372596 6.03213415 4.79122968 3.05477796 -1.49183248 1.91377176 -2.13122074 1.7487892 -3.53439958 0.26213329 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-58-9 31352 144211923 F A Dipentaerythritol OCC(COCC(CO)(CO)CO)(CO)CO Tox21_301606 -NCGC00256133-01 196728658 tox21-ror-cho-viability-p1 set3 -2.1 30.6378586933 -65.9352552818 0.3228673779 -65.6123879039 2.2481167061 0.9774171103 9.57E-8 0.07076558 -3.89743816 0.71878071 -1.52047278 2.04372676 -1.00031249 2.85348562 0.96165131 1.99583612 1.35511748 3.42508882 -4.74923655 -17.85720193 -40.46672106 -68.3462374 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1134-04-9 70811 144211567 A 2,3,4,5-Tetrachloro-6-(trichloromethyl)pyridine Clc1c(Cl)c(nc(Cl)c1Cl)C(Cl)(Cl)Cl Tox21_301250 -NCGC00255271-01 196728669 tox21-ror-cho-viability-p1 set3 4 9.6885416101 -11.380995396 -1 -12.380995396 1.9673362061 0.8168766505 0.0055263626 1.28395203 -5.33258667 0.04397644 -0.70484005 1.33102073 -3.82616323 1.51321944 -3.19372235 0.79631738 -1.9132184 -2.89663437 -4.475522 -10.81750449 -11.50041816 -11.98416283 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63612-50-0 4493 144211906 A A Nilutamide FC(F)(F)c1cc(ccc1[N+]([O-])=O)N2C(=O)C(C)(C)NC2=O Tox21_301589 -NCGC00259550-01 196721937 tox21-ror-cho-viability-p1 set3 4 -6.37864209 -6.77565594 -3.68919774 4.79318456 -1.47310901 -5.92714107 -4.31987627 -4.04789243 -4.98548807 1.65799043 0.27122902 -2.6942776 -1.43140723 1.06959838 -1.62136297 1.212E-9 2.71E-9 6.061E-9 1.3549999999E-8 3.03E-8 6.7759999999E-8 1.515E-7 3.388E-7 7.576E-7 0.0000016939999999 0.0000037879999999 0.00000847 0.00001894 0.00004235 0.0000947 104-46-1 7703 144209199 A Anethole COc1ccc(C=CC)cc1 Tox21_202001 -NCGC00259781-01 196721935 tox21-ror-cho-viability-p1 set3 4 7.7037091387 19.4405503999 -9.4405503999 10 1.372261 0.6574332081 0.0597080209 -0.56078153 -6.47499935 -7.99595827 -0.96304483 -8.68784201 -18.283792 -15.57983109 -16.12514956 -12.44255697 -3.73852518 -3.47449921 2.37443822 2.3751777 9.37901955 10.25216015 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.476E-7 3.302E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.000092279999999 87-02-5 6868 144209430 A F 7-Amino-4-hydroxynaphthalene-2-sulfonic acid O=S(=O)(O)c1cc(O)c2ccc(N)cc2c1 Tox21_202232 -NCGC00259103-01 196721946 tox21-ror-cho-viability-p1 set3 -1.2 1.2507901609 -39.6933474252 -3.59212222 -43.2854696452 2.4063783767 0.9526835147 0.0000062096 -7.70656627 -2.93695121 -5.84336626 -3.24436703 -2.9385698 -11.32507489 1.52370294 -1.76995603 -7.87692297 -35.0297453 -44.26132324 -44.39022286 -42.41210911 -36.13837737 -44.39751926 1.2049999999E-9 2.694E-9 6.0229999999E-9 1.347E-8 3.012E-8 6.7339999999E-8 1.506E-7 3.367E-7 7.529E-7 0.0000016839999999 0.000003765 0.000008418 0.00001882 0.00004209 0.00009412 97-74-5 7347 144208752 A A Tetramethylthiuram monosulfide CN(C)C(=S)SC(=S)N(C)C Tox21_201554 -NCGC00258898-01 196721947 tox21-ror-cho-viability-p1 set3 4 0.0148414421 6.0675192999 -4.5675192999 1.5 4.9549173134 0.3801925757 0.2921461509 -0.40381197 -11.72293275 -1.8082055 -2.65567626 1.94416713 3.77883235 -1.68602026 -2.05499708 2.09006136 1.59696098 2.20237427 4.56325348 -0.12993993 -1.97348293 7.50680603 1.1469999999E-9 2.566E-9 5.7369999999E-9 1.2829999999E-8 2.868E-8 6.414E-8 1.434E-7 3.2069999999E-7 7.1709999999E-7 0.000001603 0.000003585 0.000008017 0.00001793 0.00004009 0.00008964 110-12-3 8034 144208544 A Fc 5-Methyl-2-hexanone CC(C)CCC(C)=O Tox21_201346 -NCGC00090962-05 196722332 tox21-ror-cho-viability-p1 set3 4 6.8171322038 -20.1766444039 -1 -21.1766444039 0.7 0.8275663246 0.0062119357 -2.21089617 -3.60981236 -2.35218228 0.1560336 0.47219328 -1.48995894 -2.55970374 -0.39003746 -2.88408895 -13.04208103 -8.2315936 -8.73557939 -14.86688584 -17.64720367 -5.04128069 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00263519-01 196722350 tox21-ror-cho-viability-p1 set3 4 2.39424067 0.52799041 0.98830272 -1.21678906 -1.18818393 1.32634356 2.08118032 -0.47491378 9.52071144 1.56738265 6.85281613 5.7274401 5.98602968 -6.99191915 3.21846836 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 120638-55-3 11954316 170465189 F Bromfenac sodium sesquihydrate [Na+].[Na+].O.O.O.O=C(c1ccc(Br)cc1)c2cccc(CC([O-])=O)c2N.[O-]C(=O)Cc1cccc(c1N)C(=O)c2ccc(Br)cc2 Tox21_112181_1 -NCGC00018102-12 196722755 tox21-ror-cho-viability-p1 set3 4 0.0008412674 19.298704788 -19.798704788 -0.5 2.9522712143 0.4999667895 0.1955906449 -14.83225399 -4.15919274 0 -11.18788745 0 0 0 -1.22176375 4.52592579 4.15989173 1.79350353 1.48416468 -3.41822335 -3.91700631 -11.79704363 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52468-60-7 941361 170466037 A Flunarizine Fc1ccc(cc1)C(c2ccc(F)cc2)N3CCN(CC3)C/C=C/c4ccccc4 Tox21_110825_1 -NCGC00016853-06 196722765 tox21-ror-cho-viability-p1 set3 4 8.879002 14.63471546 12.26033818 7.85050803 7.70291944 0.93315897 10.01910706 9.45621875 3.148526 1.85657907 2.22575043 1.97794986 7.5248125 9.15796879 15.81215594 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 42924-53-8 4409 170464970 A Nabumetone CC(=O)CCc1ccc2cc(ccc2c1)OC Tox21_110647_1 -NCGC00167507-04 196723166 tox21-ror-cho-viability-p1 set3 -3 37.5780357627 -50.222541258 -4.623015822 -54.84555708 0.8999999999 0.578359378 0.1126791164 -2.16019854 0.52552732 0.31021847 0.36834417 -2.96665906 -0.62337861 -11.34054667 -21.34997829 -5.76177893 -12.01450629 -8.13422668 -8.83610702 -12.35370506 -9.80076814 -45.7046309 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 231277-92-2 208908 170465125 A Lapatinib Fc1cccc(c1)COc2ccc(cc2Cl)Nc3ncnc4ccc(cc34)c5ccc(CNCCS(C)(=O)=O)o5 Tox21_112505_1 -NCGC00254407-01 196719503 tox21-ror-cho-viability-p1 set3 -2.4 61.130564862 -34.404000252 0 -34.404000252 3.9899729863 0.8962118971 0.0003888881 1.13119011 5.07437018 -3.22360759 2.29930662 4.26387515 -1.8780169 -1.1605954 1.55815452 -3.90734832 -2.15288956 0.58251982 -1.27722667 -0.74779727 -5.72529809 -28.67000021 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 158081-99-3 9867257 144210786 A F CP-105696 O=C(O)C1(CCCC1)c2ccc5c(c2)OC[C@H](Cc3ccc(cc3)c4ccccc4)[C@H]5O Tox21_300468 -NCGC00256405-01 196718661 tox21-ror-cho-viability-p1 set2 4 0.7807566391 17.3135383719 -17.3135383719 0 0.3 0.4894297534 0.1882031288 -18.59461531 -13.97322707 -12.75850362 -10.97861615 -9.42056804 -11.65933815 -14.09976388 -10.33912692 -8.52895133 -16.59237767 -2.5527932 0.45601539 -7.92249309 1.11545612 -8.08234387 1.085E-9 2.427E-9 5.427E-9 1.213E-8 2.713E-8 6.067E-8 1.3569999999E-7 3.034E-7 6.7839999999E-7 0.0000015169999999 0.000003392 0.0000075839999999 0.00001696 0.00003792 0.00008479 124-22-1 13583 144213257 A Ac 1-Dodecanamine CCCCCCCCCCCCN Tox21_302940 -NCGC00257154-01 196718664 tox21-ror-cho-viability-p1 set2 4 -2.67397074 -1.00473031 2.39430197 -1.6590928 0.02774109 -0.09430818 1.0121548 2.13488003 0.08936525 -0.11163741 2.50655625 6.37637396 1.52038205 1.4840117 1.57358576 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 919-31-3 13522 144213637 F Ac 3-(Triethoxysilyl)propionitrile CCO[Si](OCC)(OCC)CCC#N Tox21_303320 -NCGC00255058-01 196719741 tox21-ror-cho-viability-p1 set3 4 1.34382251 6.39729559 12.24155977 7.53995463 1.95111018 -2.97408459 4.85262806 12.12323468 0.49034397 4.26754822 3.00893099 6.25473553 -2.53952497 -3.48832042 1.88065632 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-17-6 7328 144211477 A F Dichlofenthion Clc1cc(Cl)ccc1OP(=S)(OCC)OCC Tox21_301160 -NCGC00256750-01 196718894 tox21-ror-cho-viability-p1 set2 4 6.1130564862 8.3841211039 -1.3841211039 7 4.9549173134 0.5886458044 0.1204670621 -3.02658897 -1.8885598 -0.82985604 -1.7638328 0.44176046 -4.66169526 -1.50947254 -0.06586914 0.06019294 3.97238013 -6.57010092 9.12870829 4.09262707 7.65856914 -0.70336401 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-64-7 31353 144212985 A F Linalyl benzoate C/C(C)=C\CCC(C)(OC(=O)c1ccccc1)C=C Tox21_302668 -NCGC00256576-01 196718895 tox21-ror-cho-viability-p1 set2 4 1.36916857 1.59625278 0.19431064 -1.79069396 3.64282294 6.06314894 -0.09444105 6.38775194 1.47507997 2.19269876 4.07149101 5.71209813 -0.95893787 2.62832765 1.20894662 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-42-9 24685 144213290 A A Propham CC(C)OC(=O)Nc1ccccc1 Tox21_302973 -NCGC00256496-01 196719334 tox21-ror-cho-viability-p1 set2 4 2.26563753 3.50079665 3.45859022 3.24306661 -0.68747366 1.48431428 2.45042616 7.15623936 5.27644236 3.98468956 1.43024839 3.40517461 2.71030915 5.03539987 1.98958903 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 61-76-7 5284443 144213163 A A Phenylephrine hydrochloride Cl.O[C@@H](CNC)c1cc(O)ccc1 Tox21_302846 -NCGC00254534-01 196719752 tox21-ror-cho-viability-p1 set3 4 9.77937141 0.74827237 -2.56130261 8.37414243 2.47333412 3.9900069 3.71932831 12.38657966 16.66875336 17.33757553 14.82856829 -0.2806922 3.0277085 -5.51934759 8.90943319 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 197077-55-7 9867605 144210769 A A UK-333747 [O-][n+]1cccc(c1)c4nnc(COC)n4c2c(Cl)c(Cl)cc3NC(=O)C(=O)Nc23 Tox21_300451 -NCGC00254445-01 196719755 tox21-ror-cho-viability-p1 set3 4 12.36707705 8.23911981 5.33852632 2.47445482 4.85251815 18.46393046 7.82147352 7.99220193 2.00107292 12.33002917 10.42963817 1.46148727 -2.16774272 5.69988031 8.30741954 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 194098-25-4 9839190 144210758 A A CP-409092 CNCc1ccc(cc1)NC(=O)c3cnc2CCCC(=O)c23 Tox21_300440 -NCGC00091650-03 196720150 tox21-ror-cho-viability-p1 set3 4 5.43784672 5.86734268 13.43868744 2.60841358 7.56730858 3.93777688 3.12415711 4.26994279 16.04779447 3.15092873 18.05699316 23.63504821 16.01918616 5.68080698 -5.03483261 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00254703-01 196720160 tox21-ror-cho-viability-p1 set3 4 3.13676548 -0.65471806 8.12036291 0.35110362 7.81267228 0.8327463 0.3229252 1.84359703 -0.99649679 -0.59027346 2.12716347 0.06180349 0.04719854 -0.76949166 -0.85846674 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2425-77-6 95337 144211116 A Ac 2-Hexyl-1-decanol CCCCCCC(CCCCCCCC)CO Tox21_300799 -NCGC00091830-04 196718493 tox21-ror-cho-viability-p1 set2 4 -1.67938169 -1.07451913 -0.51044142 -2.12011787 -4.0282733 -6.39868265 -2.14974746 -0.40414539 -4.9250962 -2.95381118 -0.18089848 -0.13604692 -1.53883155 -0.30609936 -4.14810597 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00091650-03 196718486 tox21-ror-cho-viability-p1 set2 4 54.4826732819 -7.8305153919 1.5 -6.3305153919 4.4494702849 0.4554686529 0.2231394245 1.37678293 -0.47855123 0.84184279 1.05252148 -0.9270412 0.18575066 0.56428757 1.93495785 -0.2583717 -0.51429075 5.63459265 5.89366658 2.79589874 -0.56611637 -5.69209616 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00257007-01 196718484 tox21-ror-cho-viability-p1 set2 4 -2.74570307 -4.96054651 -1.74127207 -2.96225472 -4.54689741 -14.0110922 -0.94414753 -5.13435223 -1.34964367 -0.35958 -0.57890794 -1.86124995 -3.39146295 -1.10783881 1.44848226 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-46-0 24764 144213436 Fns Hexamethyldisiloxane C[Si](C)(C)O[Si](C)(C)C Tox21_303119 -NCGC00257322-01 196718491 tox21-ror-cho-viability-p1 set2 4 -2.74983668 -7.01390254 -2.40855293 -2.79043297 -1.3704622 -16.64661985 -3.22433972 -0.14409737 -7.73712379 -4.81883292 -0.82539452 -2.42212347 0.85243161 -1.75932171 -1.1301809 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 136042-19-8 23668568 144213859 A A FR130739 [Na+].CCCCc5nc1cccnc1n5Cc2ccc(cc2)c4ccccc4c3[n-]nnn3 Tox21_303554 -NCGC00257387-01 196718495 tox21-ror-cho-viability-p1 set2 4 4.49782632 4.09151697 4.70820858 -0.39792226 -1.64161297 2.23274873 3.02616635 0.07326394 3.96984034 1.86907746 -1.6028925 5.9518925 1.44575922 0.7858221 -2.01193269 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 39905-57-2 38360 144213799 A A 4-Hexyloxyaniline Nc1ccc(OCCCCCC)cc1 Tox21_303490 -NCGC00258187-01 196730595 tox21-ror-cho-viability-p1 set3 4 11.5485148677 11.6214211399 -3.6214211399 8 3.9294729863 0.7006588673 0.0379533447 3.55618437 -6.76785095 -3.96251288 -3.59177275 0.69620588 -6.16890517 -3.89664299 -5.43496848 -6.11098347 -2.35418271 -6.04586346 -2.31220564 9.88405313 9.51242708 4.47623268 1.241E-9 2.7739999999E-9 6.203E-9 1.387E-8 3.101E-8 6.935E-8 1.5509999999E-7 3.4679999999E-7 7.7539999999E-7 0.0000017339999999 0.0000038769999999 0.000008669 0.000019379999999 0.00004334 0.00009692 78-76-2 6554 144207831 AC F 2-Bromobutane BrC(C)CC Tox21_200633 -NCGC00258707-01 196730603 tox21-ror-cho-viability-p1 set3 4 -3.49188867 0.07805948 0.05003467 -0.06845165 0.07333141 0.21642624 -0.06486455 0.09932679 -2.60866298 4.04703262 1.38773036 -0.23198372 -4.04162296 0.15500409 0.21611472 1.212E-9 2.711E-9 6.061E-9 1.3549999999E-8 3.031E-8 6.7769999999E-8 1.515E-7 3.388E-7 7.577E-7 0.0000016939999999 0.0000037879999999 0.0000084709999999 0.00001894 0.000042359999999 0.000094709999999 592-45-0 5365552 144208353 FNS 1,4-Hexadiene C=CC\C=C\C Tox21_201155 -NCGC00261984-01 196698207 tox21-ror-cho-viability-p1 set1 4 3.54420379 3.11275967 5.56166717 0.07187344 -0.36377461 2.9826243 -2.58633141 3.49312633 0.37766088 0.07392499 0.53915203 2.30318224 0.40283992 -0.06167972 0.65955643 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56917-29-4 42040 170466227 F A Fluretofene Fc2ccccc2c1ccc(C#C)cc1 Tox21_113903 -NCGC00018221-08 196710262 tox21-ror-cho-viability-p1 set2 4 0.1385260678 -4.84803532 2.5 -2.34803532 1.92824246 0.5541979997 0.1341673002 4.52565334 -0.01847724 -0.78358003 5.49276476 4.68560473 -0.613152 0.66723236 -1.1947721 -3.78820223 -1.86900816 -0.38093263 -5.7066961 -1.09133206 -2.08716335 -2.55552277 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00255191-01 196710658 tox21-ror-cho-viability-p1 set2 4 -2.76497019 -0.53319322 0.77476747 -1.67597955 -1.26844855 -0.78270406 -9.14133489 -15.7427005 -1.64556934 0.31897834 -5.13321128 -2.35013701 -3.74603227 -3.2895238 -10.35173793 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2495-37-6 17236 144212029 A A Benzyl methacrylate C=C(C)C(=O)OCc1ccccc1 Tox21_301712 -NCGC00090789-02 196698624 tox21-ror-cho-viability-p1 set1 4 0.0096885416 -8.35690388 8.5 0.14309612 1.331 0.6364023009 0.0859018011 5.62033213 9.12550075 8.83977296 -1.5474199 4.40785424 -0.34418784 0.58543696 1.4589556 0.38802212 1.201623 -1.27044219 0.42836703 0.81472107 -0.93951938 5.0914222 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00182543-02 196698220 tox21-ror-cho-viability-p1 set1 4 2.64434509 5.74549853 2.57015844 0.95631045 2.4317919 -4.15286227 1.28463604 2.43396812 3.50620628 3.87039002 1.49825324 2.60015642 -0.39223593 -2.36916393 4.09274058 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14293-44-8 26618 170466623 A Xipamide O=S(N)(=O)c1cc(c(O)cc1Cl)C(=O)Nc2c(C)cccc2C Tox21_112975_1 -NCGC00090910-03 196698622 tox21-ror-cho-viability-p1 set1 4 -0.31152225 -2.51527516 -0.43374508 -0.07942982 -2.79611392 -1.41955269 -2.00950303 -1.25254574 1.02986727 -0.35956902 0.77562521 -2.0810173 0.60949695 -0.14876259 -0.30711281 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00091380-04 196698629 tox21-ror-cho-viability-p1 set1 4 -4.34499531 1.77879733 -1.39884013 -2.19523608 -2.7898083 -1.21803903 -2.92948377 -0.89878256 -5.22445675 -4.46076417 -3.63331639 -1.89491632 -1.86482687 1.95415104 -3.1604789 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00179265-03 196698630 tox21-ror-cho-viability-p1 set1 4 0.0010590929 4.015636016 -1.015636016 3 4.9549173134 0.4765425761 0.2031789304 -1.1537122 -3.00808267 1.03625277 1.05213443 0.16913618 -4.17969668 -1.0305937 4.29465603 3.66263384 1.45175199 2.96549989 -0.3850335 6.48243231 0.64725295 3.43712043 5.899E-12 1.319E-11 2.949E-11 6.595E-11 1.475E-10 3.2969999999E-10 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 56391-57-2 60196266 170465142 F Netilmicin sulfate O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.NC3CC=C(CN)OC3O[C@@H]2[C@@H](N)C[C@@H](NCC)[C@H](O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O)[C@H]2O.NC3CC=C(CN)OC3O[C@H]2[C@H](O)[C@@H](O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O)[C@H](NCC)C[C@@H]2N Tox21_110663_1 -NCGC00254303-01 196699037 tox21-ror-cho-viability-p1 set1 4 24.3365162115 -12.325141404 -1.5 -13.825141404 4.5044702849 0.7180477477 0.0388374283 -3.42944632 0.24600262 0.40388773 1.2019285 -2.69547709 -2.96456737 -3.85292494 -2.88551557 -0.23748212 -4.70422839 -0.20924341 0.70559648 -4.57076872 -12.77095117 0.69835035 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-73-7 6853 144210889 A Ac Fluorene c1cccc2Cc3ccccc3c12 Tox21_300572 -NCGC00254549-01 196699044 tox21-ror-cho-viability-p1 set1 -2.1 48.5577336745 -76.3385135001 -4.696524527 -81.0350380271 1.8851180601 0.9773936519 9.63E-8 -8.08326678 -4.32189199 -3.08212665 -10.41085159 -6.63807135 -3.24409183 -1.86920156 -1.31260921 -5.64295687 -4.48183268 -2.43176436 -7.88984647 -13.49106659 -38.98368108 -62.52654396 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-91-9 24814 144210958 Antimony trichloride Cl[Sb](Cl)Cl Tox21_300641 -NCGC00253927-01 196699049 tox21-ror-cho-viability-p1 set1 4 0.04582906 -6.39224947 -0.11037897 -1.31300408 -1.24346523 -2.98226675 -2.92969915 -1.41211146 0.29286333 -2.76445363 -3.52016177 1.40168872 -0.6296192 1.78730685 1.79452537 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-39-0 6595 144210321 B Methacrylamide C=C(C)C(N)=O Tox21_300001 -NCGC00254177-01 196699057 tox21-ror-cho-viability-p1 set1 4 -0.59558897 -1.32021795 0.57748073 0.03492244 1.5774205 -0.98007861 -2.14595876 -1.97024337 10.48880011 -1.12672502 0.7047542 -2.06925873 -0.11287678 -2.85064169 -4.18889056 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-28-2 5757 144210608 A A 17beta-Estradiol Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)CC[C@@H]12)c4cc3 Tox21_300288 -NCGC00254819-01 196699464 tox21-ror-cho-viability-p1 set1 4 -2.7969175 -7.72109705 -5.95972594 -5.35139477 -5.29446327 -2.64693802 -2.81113968 -2.38019286 -5.68169277 -2.80642249 -4.16886724 -3.28270888 -0.72065731 -1.85449083 -2.11269812 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1929-82-4 16004 144211233 A A Nitrapyrin ClC(Cl)(Cl)c1cccc(Cl)n1 Tox21_300916 -NCGC00178220-05 196722955 tox21-ror-cho-viability-p1 set3 4 0.7497803863 9.4510828561 0.5489171439 10 1.4641 0.8339563619 0.0053691988 1.29200036 3.49580283 -0.37363191 2.31767913 -0.41160271 -1.62590238 -0.28700097 -0.30200844 4.85127069 4.20705083 9.41516381 8.15419694 8.00366253 12.42818778 -1.13690993 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68-89-3 522325 170465672 C Dipyrone [Na+].[O-]S(=O)(=O)CN(C)C=2C(=O)N(c1ccccc1)N(C)C=2C Tox21_110759_1 -NCGC00015786-16 196722970 tox21-ror-cho-viability-p1 set3 4 0.0007497804 12.2172995559 -10.7172995559 1.5 4.9549173134 0.3452025276 0.3415510687 -8.08030223 1.40581166 3.5869353 -0.55608039 -8.09774963 3.71074798 0.12634305 3.45201481 8.39885661 1.37150049 1.83719154 0.06789485 1.991107 1.93149775 14.51161135 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13523-86-9 4828 170464892 A Pindolol CC(C)NCC(O)COc2cccc1nccc12 Tox21_110221_1 -NCGC00264003-02 196722952 tox21-ror-cho-viability-p1 set3 -2.4 0.0037578036 -26.1191443319 20 -6.1191443319 0.4 0.8410400875 0.002943879 14.15861671 9.78709791 3.18271287 6.28318976 4.48208929 2.59380702 -4.44457932 1.39534295 1.23249466 -6.66171584 -2.05670542 -3.82633749 -4.75341691 -6.35665039 -8.01595361 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27887-84-9 197883 170465255 F (2R,3R)-2,3-Dimercaptosuccinic acid O=C(O)[C@@H](S)[C@H](S)C(O)=O Tox21_110015_1 -NCGC00024503-03 196722963 tox21-ror-cho-viability-p1 set3 4 0.0029081026 -14.4672396519 12.5 -1.9672396519 0.6999999999 0.6067540701 0.1061700855 10.96916614 11.26730402 -0.53123691 7.25904557 7.10412256 -1.4461752 4.41012708 -2.43549912 -4.31106233 -4.97269971 -2.85707073 1.74075701 -2.6432781 0.58965079 21.04130153 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 56-40-6 750 170466831 F Glycine NCC(=O)O Tox21_113575_1 -NCGC00253730-01 196723369 tox21-ror-cho-viability-p1 set3 4 -0.92636269 -1.75251441 -0.14731133 1.1314698 -0.85679688 2.4995775 -0.26927859 -0.76670084 -0.17888772 13.84676294 -3.41449902 -0.70798132 -2.15565354 4.39901774 5.4373837 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1075-89-4 136843 170466699 A A 3,3-Tetramethyleneglutarimide O=C2CC1(CCCC1)CC(=O)N2 Tox21_113849 -NCGC00095169-05 196723377 tox21-ror-cho-viability-p1 set3 4 8.30882881 11.05889781 7.15446889 2.93754088 19.86579104 -10.42825282 0.39317058 -0.12199429 7.46594416 1.84853562 6.70397987 9.71170042 -1.23023714 8.22709515 7.94690444 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58066-85-6 3599 170465622 F Miltefosine C[N+](C)(C)CCOP([O-])(=O)OCCCCCCCCCCCCCCCC Tox21_111466_1 -NCGC00091351-03 196723379 tox21-ror-cho-viability-p1 set3 4 -2.24667978 2.7290744 -0.5191013 1.15831439 -15.85245172 0 -12.0492382 0 -0.14785354 3.02834395 4.92970426 3.73467647 -1.82652203 2.19427242 2.73243625 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00094532-06 196723381 tox21-ror-cho-viability-p1 set3 4 0.5542592892 12.3538992 -2.3538992 10 4.9549173134 0.6234026243 0.0807116321 2.65540206 2.09226257 5.71238923 -7.77851429 -12.794916 -2.97797569 0 -7.06988468 10.38277883 8.08512214 11.96230524 9.16013315 8.46713352 6.47864997 13.65273726 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00091088-05 196723383 tox21-ror-cho-viability-p1 set3 4 0.68313941 2.88849108 -0.23182185 3.98497147 1.36358421 -1.56947286 0.62441362 -0.29944192 -0.49066344 -1.15730649 -19.30576923 -1.25168089 -4.56557706 5.42413252 11.25828965 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00167569-01 196723391 tox21-ror-cho-viability-p1 set3 4 0.421632496 -8.072807016 -2.863211668 -10.936018684 1.0999999999 0.6751532384 0.0610163567 -1.7227166 -3.58169763 -1.55267639 -3.08191892 -3.66037047 -4.1187741 -5.88681439 -2.11578898 -5.36595926 -12.52395061 -6.89895514 -9.62198934 -14.53001557 -7.73402993 -5.73291905 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3735-85-1 3045407 144206117 A A Mefeserpine COc1ccc(cc1)OCC(=O)O[C@@H]3C[C@@H]4CN5CCc2c6ccc(OC)cc6nc2[C@H]5C[C@@H]4[C@@H]([C@H]3OC)C(=O)OC Tox21_112564 -NCGC00253762-01 196723393 tox21-ror-cho-viability-p1 set3 2.1 11.8832183006 69.9139333994 -1.2880324274 68.625900972 1.111 0.9478963161 0.0000105251 -0.06562694 -2.11867635 -2.23842666 -2.70262499 0.07476776 -1.49638651 1.35478451 -0.84838697 -4.87681161 5.35219482 1.57613823 21.74909761 27.10831252 34.51414659 63.8403583 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 39512-50-0 415628 170466723 A A 1-(2-Chlorophenyl)piperazine Clc1ccccc1N2CCNCC2 Tox21_113875 -NCGC00244579-01 196697271 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -79.5893510256 1.5868296675 -78.0025213581 4.9549173134 0.9839894109 1.31E-8 2.2857027 1.44905575 4.76934208 0.01241085 0.9605548 -0.39677923 1.29617272 -0.18574912 1.61679471 1.68212504 0.33672893 1.55729166 0.16814528 1.91305276 -63.49406457 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00179295-03 196697278 tox21-ror-cho-viability-p1 set1 4 -2.60267145 -1.79565267 -8.97110162 -4.65038333 -10.16223348 -2.51032052 -1.22042659 -1.13312715 -0.89534611 -4.13697126 -0.18285491 -1.4823547 -2.16852119 -1.63204505 -1.26245976 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59263-76-2 65483 170466363 A Meptazinol hydrochloride Cl.CN1CCCCC(CC)(C1)c2cccc(O)c2 Tox21_110665_1 -NCGC00091238-03 196697291 tox21-ror-cho-viability-p1 set1 4 7.304823503 -10.0556620319 0.5 -9.5556620319 2.7202212143 0.7551570072 0.018319164 -0.43360263 0.50863879 2.17993547 -0.00919111 -3.53140915 0.81028868 0.84754529 2.88694648 0.54926314 -0.09145907 3.43451937 0.18680157 -0.08193538 -8.37971836 -8.10837359 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 120-78-5 8447 170465723 F 2,2'-Dithiobisbenzothiazole c1cccc2sc(nc12)SSc3nc4ccccc4s3 Tox21_111106_1 -NCGC00159458-05 196697293 tox21-ror-cho-viability-p1 set1 -2.2 13.3331902297 -46.0359571578 -1.562741859 -47.5986990168 1.713743691 0.9524961084 0.0000063529 -1.44972572 0.41454659 -1.93090323 -0.39622342 -4.70772581 0.95007059 -3.20030291 1.55454913 -2.41386124 0.04673525 -3.4866488 -13.81953366 -11.86095769 -33.36312211 -44.07286946 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 134523-03-8 60822 170465113 A Atorvastatin calcium [Ca+2].O[C@H](CCn1c(c(c(c1C(C)C)C(=O)Nc2ccccc2)c3ccccc3)c4ccc(F)cc4)C[C@@H](O)CC([O-])=O.[O-]C(=O)C[C@H](O)C[C@H](O)CCn4c(c1ccc(F)cc1)c(c2ccccc2)c(C(=O)Nc3ccccc3)c4C(C)C Tox21_111685_1 -NCGC00025303-06 196697325 tox21-ror-cho-viability-p1 set1 4 0.64251703 9.51366663 0.47157697 1.82856125 0.42872693 3.31543577 2.80414846 5.44509066 1.7980969 0.08865818 -2.19164223 2.52647981 1.74567548 3.06222285 4.21704308 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84225-95-6 3033769 170466218 A Raclopride CCN2CCC[C@H]2CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC Tox21_110961_1 -NCGC00247710-02 196697349 tox21-ror-cho-viability-p1 set1 4 -2.39332298 -4.21132212 1.16847707 -2.08904707 0.10207276 -2.05951459 0.02050278 -0.19971295 0.25684054 0.13960458 -1.97151192 1.68030757 3.42937471 2.38217195 1.97785919 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3239-45-0 66264 170465626 A Dexfenfluramine hydrochloride Cl.FC(F)(F)c1cccc(C[C@H](C)NCC)c1 Tox21_112864_1 -NCGC00167490-03 196697359 tox21-ror-cho-viability-p1 set1 -3 33.4914596268 -53.5751599378 0.9883691944 -52.5867907434 4.9549173134 0.9805970662 3.99E-8 -0.75679686 -0.58765495 4.1038523 1.7055306 2.91090683 0.75403415 1.71525761 -0.25454678 -0.63459961 0.22643704 1.04239813 0.55123308 3.53522179 -2.14867208 -46.12876381 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82186-77-4 6437380 170465388 A Lumefantrine CCCCN(CCCC)CC(O)c4cc(Cl)cc3c4c1ccc(Cl)cc1\C3=C\c2ccc(Cl)cc2 Tox21_112491_1 -NCGC00090952-07 196697364 tox21-ror-cho-viability-p1 set1 4 1.05160387 2.81151822 9.37079347 1.38366718 2.17726958 2.23689035 0.25838457 2.60588037 0.41817488 0.36356632 2.18089808 5.19994191 0.44253085 0.77393236 0.31195157 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00163735-04 196697366 tox21-ror-cho-viability-p1 set1 4 17.2289340586 -17.511228604 2.5 -15.011228604 1.24751 0.7551942934 0.0180364671 4.424189 -1.70951998 0.08868971 4.07385415 0.23166626 5.33515628 0.66558008 4.89370323 4.94262677 1.92251217 -5.88913744 2.23630386 -7.23999293 -11.76504779 -12.50935717 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00160366-02 196697414 tox21-ror-cho-viability-p1 set1 4 0.63368321 0.97492779 -2.61136978 -0.39025541 -3.54593897 0.53088998 -1.89640054 -1.3593872 -1.81877883 -0.16089919 -0.52873175 -0.35122445 0.32923681 0.30139903 -3.54861235 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4822-44-0 10382 170466861 C Thioglycolic acid anilide O=C(Nc1ccccc1)CS Tox21_113043_1 -NCGC00178213-05 196697415 tox21-ror-cho-viability-p1 set1 4 -2.96571534 0.1762923 -5.84782238 -2.99103689 -3.74143664 0.23861769 0.20680893 -3.4645352 -1.72168849 -6.82563831 0.51659293 -2.31555294 -4.62996982 -5.02854326 -9.69273321 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3200-06-4 312915 170465616 A Nafronyl oxalate O=C(O)C(=O)O.CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC3CCCO3 Tox21_110724_1 -NCGC00015074-14 196697451 tox21-ror-cho-viability-p1 set1 4 0.98147057 3.49256698 0.90385154 1.65382742 0.02544977 2.55432775 1.71635132 3.83705011 3.79247746 1.99217833 3.95142474 5.79971725 1.4896546 2.88511785 3.52534052 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-66-5 1986 170464692 A Acetazolamide O=S(N)(=O)c1nnc(NC(C)=O)s1 Tox21_110078_1 -NCGC00090954-07 196713110 tox21-ror-cho-viability-p1 set2 4 0.0004730794 24.0730748959 -24.0730748959 0 0.3 0.4419028227 0.2323406162 -18.39422908 -6.23455446 -5.39368155 -1.62330769 -6.13754291 -13.42748284 -4.99942253 0.52216951 -6.97052428 -4.37064292 0.49830828 1.48858671 -3.54289622 0.72695211 -0.99011858 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1642-54-2 15432 170465631 F Diethylcarbamazine citrate O=C(N1CCN(C)CC1)N(CC)CC.O=C(O)C(O)(CC(=O)O)CC(=O)O Tox21_110748_1 -NCGC00260333-01 196712287 tox21-ror-cho-viability-p1 set2 2.1 43.8940033243 218.3073418797 -7.7553164022 210.5520254775 2.3331733767 0.9948641146 0 -4.71282833 -2.92259995 -3.75506326 -9.41855126 -7.53490599 -3.21106536 -4.43576655 -8.02603008 -9.51121554 -15.32976111 -3.51532714 -5.92212775 12.87859862 97.36895637 178.13200125 1.194E-9 2.6689999999E-9 5.968E-9 1.3339999999E-8 2.9839999999E-8 6.672E-8 1.4919999999E-7 3.3359999999E-7 7.4599999999E-7 0.000001668 0.00000373 0.00000834 0.00001865 0.0000417 0.000093249999999 14698-29-4 4628 144209985 A A Oxolinic acid O=C(O)C2=CN(CC)c1cc3OCOc3cc1C2=O Tox21_202787 -NCGC00181782-03 196712686 tox21-ror-cho-viability-p1 set2 -2.4 29.8492948118 -22.31301718 -2 -24.31301718 3.5117481694 0.8338060975 0.0036050662 -2.96629801 0.07503403 -3.17163273 -4.32744475 -2.44161242 -0.93964957 -7.55959814 -0.8851492 -1.33386979 -2.79471666 0.45577123 -0.84475757 0.82812617 -7.66604466 -20.26084765 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 106516-24-9 60149 170465613 A Sertindole Fc1ccc(cc1)n5cc(C3CCN(CCN2CCNC2=O)CC3)c4cc(Cl)ccc45 Tox21_113421_1 -NCGC00261977-01 196712698 tox21-ror-cho-viability-p1 set2 4 -5.44608565 -0.9426825 -0.75077151 -3.37199371 -3.8608069 -0.37745428 -3.83466608 -4.26731176 -0.04534645 -4.01636053 0.53312123 -0.72695278 -0.77780611 0.4492522 -0.04911437 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6506-37-2 23009 170466578 A F Nimorazole [O-][N+](=O)c2cncn2CCN1CCOCC1 Tox21_113897 -NCGC00165736-04 196713119 tox21-ror-cho-viability-p1 set2 4 18.8336317891 15.849165124 1.150834876 17 1.0999999999 0.8341367156 0.0036022722 3.63052432 0.12358584 0.18790704 1.41643356 0.0351076 -1.12430427 0.92858425 -0.71780316 2.91828311 2.81453803 2.80231377 5.78631346 3.78394145 7.98938569 14.4658763 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2627-69-2 17513 170465608 A Acadesine NC(=O)c2ncn([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c2N Tox21_111551_1 -NCGC00024915-04 196713120 tox21-ror-cho-viability-p1 set2 4 -0.44687477 2.57615402 3.00902834 3.57493183 0.76946694 3.08008477 -1.77281845 -0.80177102 -1.20915067 0.70974968 3.03570274 1.64466889 -1.28387703 1.82757611 2.18374345 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 160415-07-6 5311429 170466891 Z SCH 50911 CC1(C)NC[C@H](CC(=O)O)OC1 Tox21_110936_1 -NCGC00090773-04 196713528 tox21-ror-cho-viability-p1 set2 4 -0.43144372 1.32004534 0.7453122 -1.32067295 -1.51243011 -3.40586908 -3.63143498 -0.65828722 -0.76419761 -0.07427892 0.22587623 0.59274003 0.88191829 0.42536157 -3.72775661 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00163705-03 196713529 tox21-ror-cho-viability-p1 set2 4 0.0421632496 -6.74279826 8 1.25720174 0.6 0.5850591225 0.1248881481 9.03958138 6.19068409 4.77485978 5.78986229 5.65978742 6.89418126 4.50344274 2.11410688 5.12185867 1.04694961 -0.00541982 -1.86899855 1.91407739 4.65749402 4.32535357 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1465-25-4 15106 170466886 A N-(1-Naphthyl)ethylenediamine dihydrochloride Cl.Cl.NCCNc2cccc1ccccc12 Tox21_111184_1 -NCGC00015838-06 196713531 tox21-ror-cho-viability-p1 set2 4 -1.85046096 -0.85175001 -2.99957836 -3.97764223 -1.2444166 0.46814543 0.45443441 -0.1961353 -0.23155902 -1.20599811 -2.74060876 -2.74325694 -2.65860536 -0.25645728 -1.26722697 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7681-67-6 24351 170466841 A Propionylpromazine hydrochloride Cl.CCC(=O)c1cc2N(CCCN(C)C)c3ccccc3Sc2cc1 Tox21_110240_1 -NCGC00274061-01 196713538 tox21-ror-cho-viability-p1 set2 4 -0.4541049 -1.0178411 -0.21640798 -4.61318465 -4.78249245 -1.50209438 -1.71610613 -6.04737178 0.3337662 -1.90798742 -0.25111522 -0.41290434 -3.0312252 0.25384995 3.16036538 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13647-35-3 656583 170465836 A Trilostane N#CC=2C[C@]4(C)[C@H]5CC[C@]1(C)[C@@H](O)CC[C@H]1[C@@H]5CC[C@@]34O[C@@H]3C=2O Tox21_112454_1 -NCGC00256101-01 196710634 tox21-ror-cho-viability-p1 set2 4 -2.4338845 -0.5542774 1.78649619 -2.54351929 -1.1222949 0.49261218 -1.19957587 -4.72751824 -1.95050025 -3.19927364 -1.80539198 1.55825765 -0.72365928 -2.88438124 -0.72378212 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 629-78-7 12398 144212595 F Fns Heptadecane CCCCCCCCCCCCCCCCC Tox21_302278 -NCGC00255882-01 196710239 tox21-ror-cho-viability-p1 set2 4 5.24978671 -0.77454101 1.64747358 0.88321545 0.95092683 0.824593 0.48659877 -0.13169393 -0.84372776 1.97346688 -1.0614931 1.8318681 -1.002493 1.01941781 2.93845117 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2882-19-1 97780 144211761 F F Ethyl bromophenylacetate O=C(OCC)C(Br)c1ccccc1 Tox21_301444 -NCGC00256090-01 196710632 tox21-ror-cho-viability-p1 set2 4 0.6999961 -6.55521864 0.73686184 -3.03647909 -1.76814669 -5.07214151 -7.82960107 -8.21831826 -4.2217938 -3.03961086 -3.87358245 -6.86891019 -4.08650722 1.55070114 -0.92513342 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 553-70-8 62371 144212580 Magnesium dibenzoate [Mg+2].[O-]C(=O)c1ccccc1.[O-]C(=O)c1ccccc1 Tox21_302263 -NCGC00025132-04 196725305 tox21-ror-cho-viability-p1 set3 4 0 -0.67870442 -1.76312008 -3.82894887 -3.13614391 -0.16376533 -5.1968504 -2.1373112 -0.89537124 -6.15233632 -1.17995685 -1.42616662 0.35784276 0.80729522 1.52763543 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94535-50-9 93504 170466479 A Levcromakalim O=C3CCCN3[C@@H]1c2cc(ccc2OC(C)(C)[C@H]1O)C#N Tox21_110948_1 -NCGC00357102-01 196724893 tox21-ror-cho-viability-p1 set3 4 0.0015355304 9.914142084 -7.914142084 2 4.9549173134 0.4116492474 0.2639464124 -5.76178507 1.89984739 -0.24858169 4.62494249 0.71878801 5.58736962 -0.80880263 0.62038054 4.08776162 2.36809962 -2.01360501 3.96311454 -0.99450649 5.1772565 2.08184272 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-10-8 6916 251919966 F Diethylcarbamoyl chloride CCN(CC)C(Cl)=O Tox21_303825 -NCGC00260443-01 196724899 tox21-ror-cho-viability-p1 set3 4 0.221761097 -4.575330812 2.5 -2.075330812 4.9549173134 0.470099106 0.2247487134 -2.50758063 0.2904892 2.92850964 1.47217793 4.0432623 6.11849131 5.99284585 -4.64610901 -2.92846459 -2.79772649 -2.72090466 0.54566555 -3.13178383 -0.14077448 5.7022998 1.202E-9 2.688E-9 6.0119999999E-9 1.344E-8 3.006E-8 6.721E-8 1.503E-7 3.361E-7 7.5139999999E-7 0.0000016799999999 0.0000037569999999 0.000008401 0.000018789999999 0.00004201 0.00009393 2206-89-5 16627 144210095 A 2-Chloroethyl acrylate C=CC(=O)OCCCl Tox21_202897 -NCGC00262964-01 196725293 tox21-ror-cho-viability-p1 set3 4 2.25226532 0.90301394 5.50666069 6.87002411 8.23044613 10.33463868 6.21968906 4.96174095 5.53390629 9.63314676 2.29960344 6.44374762 -2.27475136 8.63877588 21.71077045 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35604-67-2 71424 170466300 A A Viloxazine hydrochloride Cl.CCOc2ccccc2OCC1CNCCO1 Tox21_113955 -NCGC00253729-01 196725310 tox21-ror-cho-viability-p1 set3 4 2.07949039 1.94419892 -0.55657203 -1.82120715 3.1089608 0.09693869 11.03584975 0.77141221 10.79952833 9.35173363 2.27874714 4.82977538 0.83553736 4.81049107 0.29668883 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 517-23-7 10601 170466666 F F 3-Acetyldihydro-2(3H)-furanone CC(=O)C1CCOC1=O Tox21_113848 -NCGC00024643-10 196726127 tox21-ror-cho-viability-p1 set3 4 0.1333319023 12.2238030279 -0.2238030279 12 4.9549173134 0.4505182449 0.2234569451 4.42951737 -0.49472189 -1.81256215 -3.02533258 5.57351352 0.06627175 -7.45237874 11.30250387 10.03788054 14.39532496 17.77408692 17.60290272 -8.10316919 15.38570108 13.7204953 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23210-56-2 3689 170465791 A Ifenprodil OC(C(C)N1CCC(CC1)Cc2ccccc2)c3ccc(O)cc3 Tox21_110915_1 -NCGC00091080-03 196726126 tox21-ror-cho-viability-p1 set3 4 8.119452308 -19.7199442079 13 -6.7199442079 4.9549173134 0.425369253 0.246975291 2.60242763 0.07967905 6.29247298 14.04550111 15.43330225 11.14250722 0 28.00225719 29.65303911 9.20725423 27.49816337 2.71995644 -6.62632206 -7.68328684 -4.83035089 1.121E-9 2.506E-9 5.6039999999E-9 1.2529999999E-8 2.802E-8 6.265E-8 1.401E-7 3.133E-7 7.005E-7 0.000001566 0.0000035019999999 0.000007831 0.00001751 0.00003916 0.00008756 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00263533-01 196726129 tox21-ror-cho-viability-p1 set3 4 37.5780357627 -20.771964976 -2 -22.771964976 4.9549173134 0.6064374659 0.0926060981 -6.92627752 0 1.48264166 -0.6486928 -6.40645476 -4.79588816 -7.16110042 1.26200741 -2.0510192 -6.34938704 1.77314972 1.86042453 -1.15320889 0.10189709 -18.97663748 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 39809-25-1 4725 170464955 A Penciclovir OCC(CO)CCn2cnc1c2NC(N)=NC1=O Tox21_112248_1 -NCGC00260091-01 196724540 tox21-ror-cho-viability-p1 set3 4 0.0019154388 17.282301668 -15.782301668 1.5 1.8079476909 0.5241785537 0.1742111418 -11.48525139 -2.03784721 -5.46253927 4.70701615 3.33678826 1.89056364 7.39976065 -1.08012593 2.24869644 0.44315453 2.20806388 3.98862837 -4.42523192 -1.92875676 -11.70505395 1.171E-9 2.617E-9 5.8529999999E-9 1.3089999999E-8 2.926E-8 6.543E-8 1.463E-7 3.2719999999E-7 7.316E-7 0.0000016359999999 0.000003658 0.0000081789999999 0.00001829 0.0000409 0.00009145 1271-19-8 5284468 144209740 Fns Titanocene dichloride [Cl-].[Cl-].C=2CC([Ti+2]C1=CC=CC1)=CC=2 Tox21_202542 -NCGC00357054-01 196724542 tox21-ror-cho-viability-p1 set3 4 15.3553036427 12.8420786679 -4.8420786679 8 3.0654483358 0.8059423801 0.0070580947 -8.61839889 -3.64196096 -1.78236047 -7.13935842 -2.05970617 -7.4162049 -6.00981838 -0.13507531 -5.72207153 -6.48037325 -6.03290821 -4.12673435 3.3853953 7.24827984 7.95751632 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16867-04-2 28115 251919879 A 3-Hydroxy-2-pyridone OC1=CC=CNC1=O Tox21_303751 -NCGC00091351-03 196703380 tox21-ror-cho-viability-p1 set1 4 -2.93146091 -3.05879133 -8.3068783 -3.88256693 -3.10024822 0.25740033 -8.40482497 -3.14378074 0.25532824 -5.00532404 -4.72176831 -2.28010611 -0.52004456 -4.05114081 -8.43928043 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00259064-01 196706678 tox21-ror-cho-viability-p1 set1 4 48.7059135522 7.96214754 -0.96214754 7 4.9549173134 0.4372531125 0.2395822033 -4.43467657 -0.98341176 -2.02348365 -0.32441539 0.43438197 0.8553319 0.75166137 -1.0721246 -3.88955696 0 -0.46933895 3.69178465 -5.38512295 1.26613907 6.63103604 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 5419-55-6 21531 144208712 D Triisopropyl orthoborate CC(C)OB(OC(C)C)OC(C)C Tox21_201514 -NCGC00259680-01 196706691 tox21-ror-cho-viability-p1 set1 -2.2 30.0157767891 -33.836805708 1.5 -32.336805708 1.55794881 0.9069016355 0.0002251074 1.44049951 0.55680564 7.28957618 -0.71908668 0.19033793 -0.01984207 0.88867453 0.28343274 6.21192182 0 0.1735897 -4.15660245 -9.43278341 -14.23482555 -31.94733809 1.16E-9 2.594E-9 5.8009999999E-9 1.297E-8 2.9E-8 6.485E-8 1.45E-7 3.2429999999E-7 7.251E-7 0.000001621 0.000003625 0.0000081069999999 0.000018129999999 0.00004053 0.00009064 87-86-5 992 144209329 A A Pentachlorophenol Clc1c(O)c(Cl)c(Cl)c(Cl)c1Cl Tox21_202131 -NCGC00258790-01 196706696 tox21-ror-cho-viability-p1 set1 4 1.42373928 -0.02742905 -2.26342016 3.03023721 -0.8466719 -3.24759897 0.49365406 0.58367686 0.45072038 -9.9357935 -2.06551127 -4.60571264 -6.5061651 1.85550306 0.06821091 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003668 0.000008201 0.00001834 0.000041009999999 0.00009169 121-92-6 8497 144208436 A A 3-Nitrobenzoic acid O=[N+]([O-])c1cc(ccc1)C(=O)O Tox21_201238 -NCGC00091499-05 196702555 tox21-ror-cho-viability-p1 set1 4 2.98333797 2.48139367 -6.55578158 6.05866789 -5.82831027 -5.11766881 4.35539454 0.43031004 -1.15257738 3.64983072 0.883823 2.83217075 0.46851845 0.53137466 2.49153732 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00257872-01 196702561 tox21-ror-cho-viability-p1 set1 4 -5.0918404 -5.74083832 2.83242952 -2.58372642 2.56731653 -2.20315445 -6.27916563 0.22994807 -1.05097239 -0.6909697 -6.76529914 -1.27934332 -7.79267735 -0.09527102 -1.79466073 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.331E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 4659-45-4 78392 144207516 F 2,6-Dichlorobenzoyl chloride O=C(Cl)c1c(Cl)cccc1Cl Tox21_200318 -NCGC00258227-01 196702567 tox21-ror-cho-viability-p1 set1 4 33.8176617862 7.8537874921 -8.221593608 -0.3678061159 3.0654483358 0.4720094959 0.2062732662 -8.39848526 -7.27411249 -5.34127068 -7.28279826 -11.43466134 -6.91961845 -9.75313918 -8.19431643 -2.58243986 -10.27338615 -11.22898002 -9.54078167 -9.98280732 -2.20388091 -1.13983843 1.164E-9 2.6039999999E-9 5.822E-9 1.302E-8 2.911E-8 6.509E-8 1.4549999999E-7 3.255E-7 7.2769999999E-7 0.0000016269999999 0.000003639 0.000008136 0.00001819 0.00004068 0.000090969999999 634-90-2 12468 144207871 AC Ac 1,2,3,5-Tetrachlorobenzene Clc1cc(Cl)c(Cl)c(Cl)c1 Tox21_200673 -NCGC00260085-01 196703381 tox21-ror-cho-viability-p1 set1 -1.1 2.4287026602 -80.6043182304 -0.3310296719 -80.9353479023 0.7999999999 0.9865562024 4.7E-9 -1.82448792 -0.77720705 -1.04215847 0.03682644 -2.46191314 -6.89845392 -8.43646497 -8.9328564 -25.54788615 -31.81172265 -53.38144123 -58.08305191 -63.62029934 -68.80905739 -83.27347028 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.3169999999E-8 2.944E-8 6.583E-8 1.472E-7 3.291E-7 7.3599999999E-7 0.0000016459999999 0.00000368 0.0000082289999999 0.000018399999999 0.000041139999999 0.000092 7789-12-0 108005 144209734 Sodium dichromate(VI) dihydrate [Na+].[Na+].O.O.[O-][Cr](=O)(=O)O[Cr]([O-])(=O)=O Tox21_202536 -NCGC00091830-04 196703385 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -17.02023788 1.5 -15.52023788 4.9549173134 0.6666900269 0.0550819422 5.05459286 2.013412 2.5713313 0.54908929 -0.83020834 -0.27605569 6.68882116 3.17687776 -1.3968898 -1.68204026 1.37884961 0.09191629 -1.3573892 2.63221469 -12.5168649 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00260497-01 196703394 tox21-ror-cho-viability-p1 set1 4 -0.87082624 -0.02612358 -3.91908361 -1.72194591 -2.46073373 -0.83734243 -12.1445744 -0.01269391 -1.76585488 -1.41890738 -1.96670118 -2.95993736 -3.51972305 -1.90742991 -0.09343668 6.002E-10 1.342E-9 3.001E-9 6.7099999999E-9 1.5E-8 3.355E-8 7.502E-8 1.678E-7 3.7509999999E-7 8.3879999999E-7 0.0000018759999999 0.000004194 0.0000093779999999 0.000020969999999 0.00004689 935-69-3 71593 144210149 F A 7-Methyladenine Nc1ncnc2ncn(C)c12 Tox21_202951 -NCGC00357248-01 196703792 tox21-ror-cho-viability-p1 set1 4 -3.58825437 0.43886451 -2.17420467 -1.74004533 -4.10237095 -2.30235094 -1.57110453 -2.59799819 -0.00345493 0.59977675 0.12411086 0.05355641 0.23122629 2.23599035 3.57551985 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 874-90-8 70129 251919964 A 4-Anisonitrile COc1ccc(C#N)cc1 Tox21_304041 -NCGC00260175-01 196703797 tox21-ror-cho-viability-p1 set1 -1.1 19.3508424578 -106.1067880387 -0.5020276078 -106.6088156465 1.78848746 0.9828191584 1.97E-8 -0.51903646 4.36154351 2.19670053 -0.7606748 0.05241907 1.16102901 -0.37707974 1.70237012 -0.50236505 -8.5809624 -12.99900835 -20.09503862 -44.79340396 -93.2068981 -96.04397806 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.476E-7 3.302E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.000092279999999 70862-65-6 2775940 144209825 A A 1,3-Didecyl-2-methylimidazolium chloride [Cl-].CCCCCCCCCC[n+]1ccn(CCCCCCCCCC)c1C Tox21_202627 -NCGC00257521-01 196714311 tox21-ror-cho-viability-p1 set2 4 -0.03209507 1.53148308 -0.67154329 0.19165902 -0.84177496 1.61907669 2.97971391 1.14215894 1.5219083 4.57839543 1.89264628 1.88608087 2.809591 0.92795064 0.81409474 1.3339999999E-9 2.982E-9 6.668E-9 1.491E-8 3.334E-8 7.455E-8 1.6669999999E-7 3.728E-7 8.3349999999E-7 0.000001864 0.000004168 0.000009319 0.00002084 0.0000466 0.0001042 100-55-0 7510 144211156 AC Ac Nicotinyl alcohol OCc1cccnc1 Tox21_300839 -NCGC00178521-03 196717187 tox21-ror-cho-viability-p1 set2 -3 33.4914596268 -52.8345042955 4 -48.8345042955 4.9549173134 0.9574111238 0.0000034771 0.25547334 2.97990649 1.69054201 3.94126507 3.35267472 3.31485492 5.62022238 4.13497158 2.13942523 2.79536866 7.90264164 9.77745654 3.18341252 1.25275621 -42.88989315 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 555-77-1 5561 170466083 A 2-Chloro-N,N-bis(2-chloroethyl)ethanamine ClCCN(CCCl)CCCl Tox21_113198_1 -NCGC00091830-04 196717190 tox21-ror-cho-viability-p1 set2 4 -1.54467112 0.11060644 0.06217508 -0.62778049 0.30683147 0.83404773 -3.26033185 -0.76163273 -2.78512738 -4.7918975 -1.24701983 -1.1939235 -1.27574784 -0.08511405 -4.06801985 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00253720-01 196717624 tox21-ror-cho-viability-p1 set2 4 2.57586518 2.43148147 2.08085484 1.21279308 -2.24604808 -1.26377294 -9.71386699 -1.66280866 0.80605317 2.17432637 1.94042382 0.08799084 0.8544032 -1.32378499 -0.44524656 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17630-75-0 152801 170466688 A A 5-Chlorooxindole Clc1cc2CC(=O)Nc2cc1 Tox21_113839 -NCGC00255098-01 196713902 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -39.7867564959 1.5 -38.2867564959 4.9549173134 0.9715691859 3.593E-7 2.2229574 0.69372006 3.17107712 -0.33833489 -0.36978264 0.8230021 1.01152404 0.31593901 0.22266923 -0.36560722 1.30340762 4.0698713 2.59978841 0 -31.07229708 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 133-53-9 8621 144211518 A A 2,4-Dichloro-3,5-dimethylphenol Cc1cc(O)c(Cl)c(C)c1Cl Tox21_301201 -NCGC00253968-01 196714297 tox21-ror-cho-viability-p1 set2 4 1.57823729 -5.03828233 -5.55783153 -3.78735191 -2.48758476 -8.68374559 -6.70137232 -7.45989216 -4.39422135 0.77019025 -6.71072014 -4.97044888 1.22642796 1.53911179 -1.304718 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-54-4 7762 144210385 FNS Ethyl butyrate CCCC(=O)OCC Tox21_300065 -NCGC00090760-08 196714302 tox21-ror-cho-viability-p1 set2 -3 68.1713220381 -45.1028196195 -3.5 -48.6028196195 3.9899729863 0.9035083472 0.0002697444 -4.15268878 -3.36141755 0.77044431 -6.82007087 -2.14537961 -2.79669772 -2.12811218 -5.16245881 -8.23364551 -5.15181045 0.90975634 -8.91588556 -1.36506877 -8.19246097 -37.95668153 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00254755-01 196714316 tox21-ror-cho-viability-p1 set2 4 -2.44510349 -1.92172206 0.3357482 -2.96693357 -1.0120042 -2.93708488 0.11022683 -1.79930315 0.19336838 -1.32419763 -2.2511522 1.06107322 -0.24885673 6.09014886 0.14659806 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 188489-07-8 3083546 144211169 A A Flufenpyr-ethyl O=C(OCC)COc1cc(c(F)cc1Cl)N2N=CC(=C(C)C2=O)C(F)(F)F Tox21_300852 -NCGC00090789-02 196714318 tox21-ror-cho-viability-p1 set2 4 1.20405923 -10.65813881 0.76328113 -0.84333548 -6.51370856 -5.04753952 -7.23801777 -1.50039169 -6.67629882 -3.81717632 -4.38883977 0.95831298 -1.75178331 0.01741173 0.43194341 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00254193-01 196714321 tox21-ror-cho-viability-p1 set2 4 0.0007304824 9.7813865999 -6.2813865999 3.5 0.4 0.7548626493 0.0189476142 -4.4011555 0.1287855 0.0438815 0.05594848 0.39014748 1.69368065 1.23027059 1.12075646 3.2606366 3.49915132 2.11505566 2.44733012 5.7522296 3.29744875 2.90482824 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 264618-44-2 53316379 144210549 A B SSR146977 CN(C)C(=O)NC4(CCN(CCC[C@]1(CCCN(C1)C(=O)c2ccccc2)c3ccc(Cl)c(Cl)c3)CC4)c5ccccc5 Tox21_300229 -NCGC00254429-01 196714720 tox21-ror-cho-viability-p1 set2 4 0.32212092 -0.19064892 -0.33828383 -0.06396911 -2.16456754 0.1193257 0.60118532 0.73790566 -0.46559918 0.96897803 2.34621056 -5.67393421 1.29195243 1.27430048 0.46563755 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_47267 10132209 144210752 A A CP-642931 C[C@@H](O)c1nccc(n1)N2[C@H](C)CN(C[C@@H]2C)c3nc(C)nc(C)n3 Tox21_300434 -NCGC00254221-01 196714724 tox21-ror-cho-viability-p1 set2 4 4.8557733675 6.6624026199 -1.1624026199 5.5 4.9549173134 0.6937351968 0.0510719231 -0.67557824 -1.21217548 -1.40627782 -2.21866885 -0.76899657 -1.56043755 0.34402678 0.42968285 -0.86613392 -0.55117589 -0.96649736 7.2613898 8.70121183 1.07619037 1.25617326 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 132-64-9 568 144210372 A Ac Dibenzofuran c1cccc2oc3ccccc3c12 Tox21_300052 -NCGC00254541-01 196714730 tox21-ror-cho-viability-p1 set2 4 -0.09772251 0.82082733 0.36097982 0.22178566 0.32347899 1.09353007 4.60797631 0.42265113 0.95068737 -1.19696904 0.67848054 0.36492733 -0.9277357 1.17793525 4.54331227 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 319-85-7 727 144210941 A A beta-Hexachlorocyclohexane Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl Tox21_300624 -NCGC00260041-01 196724235 tox21-ror-cho-viability-p1 set3 4 -0.64693995 -2.29765062 -2.45084233 -3.59428372 1.70995735 -2.98739299 -1.17531968 -1.02887602 1.01655798 4.3982878 3.84387889 0.22075889 4.97102985 -1.61686938 -3.19681234 1.173E-9 2.622E-9 5.863E-9 1.311E-8 2.931E-8 6.5549999999E-8 1.466E-7 3.277E-7 7.328E-7 0.0000016389999999 0.000003664 0.000008193 0.00001832 0.000040969999999 0.000091599999999 1306-19-0 14782 144209690 Cadmium oxide [Cd]=O Tox21_202492 -NCGC00258738-01 196724239 tox21-ror-cho-viability-p1 set3 -2.2 31.0121236216 -42.2073908338 0.9705284435 -41.2368623903 3.0654483358 0.9291524606 0.0000547684 -5.9047401 7.63436614 -3.19524224 3.76570821 1.15823138 2.5746369 -2.43316371 0.85300289 -0.46443911 6.11201197 2.70828613 -1.81555255 -5.67096088 -27.55058358 -42.95506499 1.1919999999E-9 2.6659999999E-9 5.962E-9 1.333E-8 2.981E-8 6.6649999999E-8 1.49E-7 3.3329999999E-7 7.452E-7 0.0000016659999999 0.000003726 0.000008332 0.00001863 0.00004166 0.00009315 517-28-2 320930 144208384 A A Hematoxylin Oc2cc3C[C@]4(O)COc1c(O)c(O)ccc1[C@@H]4c3cc2O Tox21_201186 -NCGC00260646-01 196724643 tox21-ror-cho-viability-p1 set3 4 -1.13278199 6.87533568 -1.62633455 -9.71737512 5.38718357 7.71254249 -1.04346402 -1.40617602 3.3163295 3.365381 3.0753971 3.28615716 1.47909691 1.29747779 1.75726733 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49542 144210299 M M NTP Mix87 ER AR1 18-EQC Tox21_203101 -NCGC00256277-01 196709975 tox21-ror-cho-viability-p1 set2 4 -2.16020657 -1.33895995 -0.87201498 -1.44033292 -2.47822409 0.60580597 0.64487071 -1.36788835 -5.28199133 -1.35314718 -0.30806685 -0.73323495 0.30907711 -2.27232722 0.16111639 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59719-67-4 108381 144211985 F F Bis{2-[2-(propan-2-yl)-1,3-oxazolidin-3-yl]ethyl} hexane-1,6-diylbiscarbamate CC(C)C2OCCN2CCOC(=O)NCCCCCCNC(=O)OCCN1CCOC1C(C)C Tox21_301668 -NCGC00256255-01 196710784 tox21-ror-cho-viability-p1 set2 4 3.60287667 6.7486641 3.06716756 5.28322151 5.15730876 3.61523994 1.1412391 0.59092257 0.05171563 1.31729541 0.02308076 0.6948913 2.98251151 0.20678151 5.90688838 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 931-36-2 70262 144211802 A A 2-Ethyl-4-methyl-1H-imidazole Cc1cnc(CC)n1 Tox21_301485 -NCGC00255313-01 196710380 tox21-ror-cho-viability-p1 set2 4 7.33481589 1.16925076 0.33775867 0.69969251 3.42500698 1.03306919 2.9908147 0.93395196 0.75234289 1.45145501 0.1663304 2.86332056 1.28884015 1.16750737 6.12477893 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 540-88-5 10908 144211625 F tert-Butyl acetate CC(=O)OC(C)(C)C Tox21_301308 -NCGC00091278-03 196709968 tox21-ror-cho-viability-p1 set2 4 5.04393135 0.62939463 0.14725247 1.93345548 5.24397353 0.76582777 -0.40663419 2.80489905 2.10724496 1.89400946 1.6612995 1.14424954 2.92627158 -1.12147103 -1.57640226 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00255331-01 196710378 tox21-ror-cho-viability-p1 set2 -2.1 11.7375452433 -83.0901191828 -0.37882167 -83.4689408528 0.9999999999 0.988549709 1.8E-9 4.11477666 -4.31851598 -2.51607194 -2.55220221 -2.71572789 1.0051804 0.74773851 1.85895116 -7.8201576 -7.52205265 -13.91116697 -27.09226439 -42.70161439 -59.04831351 -69.67344004 7.7859999999E-10 1.7409999999E-9 3.893E-9 8.705E-9 1.947E-8 4.353E-8 9.733E-8 2.176E-7 4.8659999999E-7 0.000001088 0.000002433 0.0000054409999999 0.000012169999999 0.000027199999999 0.00006083 2353-45-9 16887 144212403 A A FD&C Green No. 3 [Na+].[Na+].CC/[N+](Cc1cccc(c1)S([O-])(=O)=O)=C2\C=C/C(C=C2)=C(\c3ccc(cc3)N(Cc4cccc(c4)S([O-])(=O)=O)CC)c5ccc(O)cc5S([O-])(=O)=O Tox21_302086 -NCGC00255227-01 196710394 tox21-ror-cho-viability-p1 set2 4 -8.49641927 0.68696769 2.29057919 3.03574101 4.60416768 0.81346414 -1.13125619 -0.6374304 1.06272064 0.2557584 -0.59894337 -3.7998099 -0.95947522 -3.99869369 -1.03821773 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 36505-84-7 2477 144212688 A A Buspirone O=C4CC1(CCCC1)CC(=O)N4CCCCN2CCN(CC2)c3ncccn3 Tox21_302371 -NCGC00255639-01 196710787 tox21-ror-cho-viability-p1 set2 4 1.76169552 3.84707578 3.90682198 0.82176639 3.19996233 1.36397966 0.37556781 1.24522132 0.01212578 -1.06633486 1.91566702 -1.15891656 -0.78614461 0.06511288 5.51607897 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1668-54-8 15466 144212414 A A 2-Methyl-4-amino-6-methoxy-s-triazine Cc1nc(N)nc(OC)n1 Tox21_302097 -NCGC00256125-01 196710793 tox21-ror-cho-viability-p1 set2 4 -2.22090261 -0.49490417 2.17606257 -0.91493221 -0.46057263 1.35807798 0.89694287 0.10524815 0.22831513 1.4500373 0.68599598 -0.78099993 -1.0457085 -0.6619145 -0.44236239 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 701-64-4 12793 144212125 A A Phenyl dihydrogen phosphate OP(=O)(O)Oc1ccccc1 Tox21_301808 -NCGC00255501-01 196710797 tox21-ror-cho-viability-p1 set2 -1.1 17.2289340586 -62.9327449199 -8.721236484 -71.6539814039 2.4063783767 0.9760416204 1.344E-7 -6.10769865 -14.22524581 -6.73982329 -10.997467 -6.3486214 -6.15765735 -7.29383679 -15.72105674 -5.34097397 -8.41344821 -10.47608031 -13.60156924 -46.52614798 -65.18258877 -68.46165117 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-85-8 1730 144212178 A 4-Chloromercuribenzoic acid OC(=O)c1ccc([Hg]Cl)cc1 Tox21_301861 -NCGC00255151-01 196710802 tox21-ror-cho-viability-p1 set2 4 -2.27936839 -1.29857479 -2.27580866 -1.76139937 0.32095273 -1.37200198 -4.38487185 -0.4604803 0.77451056 -2.21973102 -2.85615915 1.56490423 -0.42153555 1.37748303 1.23848091 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2499-95-8 17259 144212037 F Fns Hexyl acrylate O=C(C=C)OCCCCCC Tox21_301720 -NCGC00260072-01 196711202 tox21-ror-cho-viability-p1 set2 4 -4.09016725 -0.80037805 -1.46823238 -4.18482285 -5.17456024 -3.17961929 -11.09147294 -19.04140108 0.05400292 -3.36996119 -6.88474678 -1.23101937 -13.44591305 -5.2244459 -27.09081124 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.566E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.000008207 0.00001835 0.00004103 0.00009176 67-56-1 887 144209721 FNS Methanol CO Tox21_202523 -NCGC00260115-01 196711631 tox21-ror-cho-viability-p1 set2 4 -2.49712477 3.42884736 -0.4095962 3.79798538 -2.15152343 0.52665072 1.35519921 4.74987783 -0.00252254 -0.51825209 -0.24666973 -2.03828192 5.10455887 2.10663822 10.50085112 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003673 0.0000082119999999 0.000018359999999 0.00004106 0.000091819999999 5460-09-3 23664361 144209764 Fns 4-Amino-5-hydroxy-2,7-naphthalenedisulfonic acid monosodium salt [Na+].[O-]S(=O)(=O)c2cc1cc(cc(O)c1c(N)c2)S(=O)(=O)O Tox21_202566 -NCGC00357073-01 196711635 tox21-ror-cho-viability-p1 set2 4 -0.36307506 -2.12365297 -11.01444835 -6.13158987 -3.85280515 0 -5.90576989 0 -8.75547921 -74.22910355 0 0 0 -61.68673065 -24.0439912 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 2167-23-9 221260 251919804 F 2,2-Bis(tert-butylperoxy)butane CC(C)(C)OOC(C)(CC)OOC(C)(C)C Tox21_303782 -NCGC00260478-01 196703029 tox21-ror-cho-viability-p1 set1 -2.2 27.3615673809 -56.7033863829 1.456131229 -55.2472551539 0.8999999999 0.9430200129 0.0000171194 -0.68313382 7.03034752 1.01137315 2.64626653 0.7498424 -1.17802545 -0.55559579 2.29721823 -0.56367028 -9.13551222 -0.56488755 -16.17508278 -21.52533055 -28.21725602 -43.8470279 1.182E-9 2.644E-9 5.9109999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.305E-7 7.3889999999E-7 0.0000016519999999 0.0000036949999999 0.000008261 0.000018469999999 0.00004131 0.000092359999999 16423-68-0 27872 144210130 F FD&C Red 3 [Na+].[Na+].[O-]C(=O)c4ccccc4C=2c3cc(I)c([O-])c(I)c3OC=1C=2C=C(I)C(=O)C=1I Tox21_202932 -NCGC00258575-01 196702618 tox21-ror-cho-viability-p1 set1 -1.1 8.6173622229 -84.5259440276 -1.0928147339 -85.6187587615 3.0654483358 0.9837553643 1.42E-8 -1.72960692 -0.24789195 -4.65944514 -0.25372426 2.62828383 0.30736543 3.38340423 2.90444206 -3.21629754 -9.70793363 -8.26034712 -36.90928076 -87.54474311 -83.24601696 -80.65189022 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.000003681 0.00000823 0.000018399999999 0.00004115 0.00009201 96-69-5 7308 144208220 A A 4,4'-Thiobis(6-tert-butyl-m-cresol) CC(C)(C)c2cc(Sc1cc(c(O)cc1C)C(C)(C)C)c(C)cc2O Tox21_201022 -NCGC00066947-05 196703025 tox21-ror-cho-viability-p1 set1 4 0.0021689943 -9.624158712 3.5 -6.124158712 3.2974983358 0.5646581972 0.1259040771 2.44783704 -2.52982771 -5.80346773 -5.17666956 -5.02053488 -5.91486345 -3.05571897 -8.5625041 -8.37676641 -3.25241667 -3.89824009 -5.53632762 -4.07998277 -8.31515129 -9.27013226 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00356988-01 196703026 tox21-ror-cho-viability-p1 set1 4 -3.91137583 -0.22223539 -4.81872269 -3.03790304 -5.47308005 -0.40350755 -5.5080533 -4.34335535 -9.63696601 -0.12638602 -3.7292639 -3.22646405 -1.1829814 -1.66228453 -2.43267129 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 832-69-9 13257 251919688 A 1-Methyl phenanthrene Cc3cccc2c3ccc1ccccc12 Tox21_303752 -NCGC00260194-01 196703037 tox21-ror-cho-viability-p1 set1 4 0.66555255 2.04584936 3.95336821 4.72847829 0.67481433 4.1277511 -0.21982762 0.34323898 6.54811279 -0.2981122 1.25001255 0.04808568 0.36926539 0.32832881 9.92589613 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.386E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 219947-95-2 50878565 144209844 F 1-Hexadecyl-3-methylimidazolium hexafluorophosphate F[P-](F)(F)(F)(F)F.C[n+]1ccn(CCCCCCCCCCCCCCCC)c1 Tox21_202646 -NCGC00357151-01 196703452 tox21-ror-cho-viability-p1 set1 4 -1.53924077 -1.74146738 -4.69807814 -1.55707977 -7.33691326 -7.28100638 -1.44327878 -2.56051081 -0.6573867 0.48073208 -0.75650467 -8.9272295 0.22193512 -2.7356114 -6.06105108 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-21-8 67114 251919653 A 4-(Diethylamino)benzaldehyde CCN(CC)c1ccc(cc1)C=O Tox21_303895 -NCGC00260545-01 196703845 tox21-ror-cho-viability-p1 set1 -2.2 27.4727179077 -42.8348248825 -0.548024389 -43.3828492715 0.9999999999 0.9324453211 0.0000426348 -0.41143062 1.44390078 1.21483834 -3.31793643 -2.59819031 -0.15314068 2.42511295 -2.10040958 -2.58627561 -3.46347621 -4.58104025 -14.6903391 -16.46677995 -19.80965469 -38.05513094 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003708 0.000008291 0.00001854 0.00004145 0.00009269 538-75-0 10868 144210198 A F Dicyclohexylcarbodiimide N(=C=N\C1CCCCC1)\C2CCCCC2 Tox21_203000 -NCGC00260447-01 196703852 tox21-ror-cho-viability-p1 set1 4 0.56502077 -3.60810577 4.83991351 -0.83493097 -0.15308049 -0.83450606 -3.23589377 0.24577735 -1.52924138 -2.37837332 -2.19142699 -0.12038275 -0.59241923 -2.34621711 -0.44513762 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.00000369 0.000008252 0.000018449999999 0.000041259999999 0.00009226 605-32-3 11796 144210099 A A 2-Hydroxyanthraquinone Oc2ccc3C(=O)c1ccccc1C(=O)c3c2 Tox21_202901 -NCGC00255491-01 196700973 tox21-ror-cho-viability-p1 set1 4 -13.89071615 -1.09604673 -2.97679205 -4.12129828 -7.70971258 -12.02629577 -1.55332108 -12.12871351 -2.62356467 -5.70578989 -4.22993093 -13.06664889 -9.63772109 -12.27925744 -16.03038025 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 123-00-2 61055 144212393 Ac A 4-Morpholinepropanamine NCCCN1CCOCC1 Tox21_302076 -NCGC00256304-01 196700551 tox21-ror-cho-viability-p1 set1 4 61.130564862 12.0426935279 -1.0426935279 11 1.0999999999 0.6564460841 0.0618018419 -0.88815678 0.32418572 -5.03557794 -0.46841926 -2.17989399 0.3923622 -0.70536244 -0.88738568 -0.92720006 -0.02238106 -0.57201853 0.52355186 3.44757792 0.57137142 8.32227287 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4062-60-6 77680 144211836 A Ac N,N'-Di-tert-butylethane-1,2-diamine CC(C)(C)NCCNC(C)(C)C Tox21_301519 -NCGC00256264-01 196700552 tox21-ror-cho-viability-p1 set1 4 -0.29617174 0.95587151 0.26068163 -0.50597148 0.36593927 0.46427493 0.81599235 1.48793468 0.95378961 -0.02534577 0.56544463 2.12819994 0.49466752 2.45058899 0.81523487 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51410-72-1 106428 144212528 A A N,N,N-Trimethyl-3-[(2-methylacryloyl)amino]propan-1-aminium chloride [Cl-].C[N+](C)(C)CCCNC(=O)C(=C)C Tox21_302211 -NCGC00255652-01 196700966 tox21-ror-cho-viability-p1 set1 4 35.1818565023 -7.8034268679 1 -6.8034268679 4.0949729863 0.6900094604 0.0438090644 1.54028469 0.59636838 2.31759212 1.20171839 -2.40986431 -1.60124512 1.02064306 0.03772179 2.106714 2.18802636 3.7035867 3.05260968 -0.27953907 -4.196341 -6.91952239 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 6152-33-6 517383 144211704 A A Sodium 2-phenylphenate tetrahydrate [Na+].O.O.O.O.[O-]c2ccccc2c1ccccc1 Tox21_301387 -NCGC00254077-01 196720043 tox21-ror-cho-viability-p1 set3 4 1.81488943 2.34631442 1.08149243 2.30252194 1.99084451 0.77992265 -2.09314691 1.64430459 3.92161721 -1.55012002 -0.54175629 -1.85127737 0.88567153 2.12632809 2.15030892 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 110-85-0 4837 144210424 Piperazine C1CNCCN1 Tox21_300104 -NCGC00257525-01 196719637 tox21-ror-cho-viability-p1 set3 4 -3.60079536 -4.34348544 -3.89959767 -0.08084216 -1.45446952 -0.29746741 -3.78987601 -1.80107312 -3.39076455 -3.78754464 -1.52483977 -4.36918124 -1.76508416 -0.12356986 4.03787223 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1071-93-8 66117 144211384 Z Z Hexanedihydrazide NNC(=O)CCCCC(=O)NN Tox21_301067 -NCGC00254176-01 196719645 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -52.9500271475 4.5 -48.4500271475 4.9549173134 0.893862148 0.0004331487 6.77691696 6.66022877 13.41561445 4.88264228 2.95236712 6.4419774 2.28303926 -1.11758396 2.48505425 -1.55451827 7.46005115 3.35798471 0.92933992 3.2248145 -38.62339714 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-29-3 3036 144210387 A A p,p'-DDT Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl Tox21_300067 -NCGC00254280-01 196720050 tox21-ror-cho-viability-p1 set3 4 -4.34382441 -8.58824396 2.26836529 -4.81273743 3.11779882 2.67806315 -5.53764935 2.8582162 -6.67419251 -7.70985043 -4.07362271 3.26731093 -4.16070874 -12.17199551 -13.65336594 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 298-02-2 4790 144210716 A A Phorate CCSCSP(=S)(OCC)OCC Tox21_300398 -NCGC00254523-01 196720057 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -89.1042272813 4.9960737454 -84.1081535359 4.9549173134 0.9427120158 0.0000176098 6.41539951 6.48494576 1.32335039 8.15934387 7.36264116 0.92436504 8.79839284 4.4916807 -5.99397155 9.13833415 -0.15643996 12.53237149 2.07487037 -0.593199 -67.5461536 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76-44-8 3589 144210852 A A Heptachlor ClC2=C(Cl)C3(Cl)C1C=CC(Cl)C1C2(Cl)C3(Cl)Cl Tox21_300534 -NCGC00254226-01 196720461 tox21-ror-cho-viability-p1 set3 -2.1 48.5577336745 -141.2932045751 10.9668257065 -130.3263788686 2.7202212143 0.9843617558 1.14E-8 12.34552088 9.78714789 11.46500064 9.95212515 2.54748559 10.53020939 9.50316138 7.04241412 9.48908656 15.73292956 20.95648813 12.23850942 4.43590334 -46.71261172 -108.06499077 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2772-45-4 76013 144210636 A A 2,4-Bis(1-methyl-1-phenylethyl)phenol CC(C)(c1cc(ccc1O)C(C)(C)c2ccccc2)c3ccccc3 Tox21_300317 -NCGC00254868-01 196720464 tox21-ror-cho-viability-p1 set3 -3 15.3553036427 -49.789646697 -2.6847562949 -52.4744029919 3.0654483358 0.8251474496 0.0095718989 -7.59820814 -10.19398279 1.67503082 0.69225456 2.09422735 -4.57400483 -4.16652154 -2.17882313 -3.5008251 -3.3086619 -4.32596593 -0.5771921 -39.7533356 -0.41443022 0.6881574 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96182-53-5 93516 144211282 A A Tebupirimfos CC(C)(C)c1ncc(OP(=S)(OCC)OC(C)C)cn1 Tox21_300965 -NCGC00254073-01 196720468 tox21-ror-cho-viability-p1 set3 4 0.38173895 7.90608843 -0.85851009 -0.6491117 -0.72865229 0.31311484 -3.84878234 -1.3119102 4.14640131 0.02592319 -2.16959389 0.85309454 0.16083211 -0.20233077 -4.0289049 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 637-07-0 2796 144210597 A A Clofibrate Clc1ccc(OC(C)(C)C(=O)OCC)cc1 Tox21_300277 -NCGC00254083-01 196720469 tox21-ror-cho-viability-p1 set3 4 3.63121847 1.0886934 2.38634392 1.38881789 0.50409244 2.05635245 2.70392611 1.18571556 -3.0115135 2.25346185 -12.74850694 -1.8821788 3.94244211 4.19581336 1.03724688 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-76-2 8133 144210443 A A 2-Butoxyethanol CCCCOCCO Tox21_300123 -NCGC00257435-01 196718814 tox21-ror-cho-viability-p1 set2 4 1.1003757 3.88677981 3.30207828 0.4942442 -0.23808631 7.34549554 -0.01027084 7.64341558 2.9043085 3.95208756 4.78003019 2.49174211 0.7974827 5.48076626 1.51056003 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.934E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091699999999 70-55-3 6269 144213814 A A 4-Toluenesulfonamide Cc1ccc(cc1)S(=O)(N)=O Tox21_303506 -NCGC00256900-01 196718387 tox21-ror-cho-viability-p1 set2 4 3.45966935 0.730813 1.58831686 1.36476537 2.638143 4.50648729 0.67923932 0.28050165 1.70636718 2.61323573 5.39868265 5.13447524 0.30518271 1.34580573 3.42694679 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-41-8 61031 144212937 F F 2-Methylundecanal CC(CCCCCCCCC)C=O Tox21_302620 -NCGC00257339-01 196718796 tox21-ror-cho-viability-p1 set2 4 1.0870722482 3.8999406079 -3.8999406079 0 2.3331733767 0.3449160315 0.328498713 -2.16741799 -6.01945894 -3.28784396 0.54516019 -0.16325391 -6.50408433 -7.83328384 -3.37674195 -3.51110876 0.08905994 -0.31072387 -2.17937463 2.17600068 -2.16129882 2.54977435 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 833-66-9 23677963 144213872 A A Potassium 6-hydroxynaphthalene-2-sulfonate [K+].[O-]S(=O)(=O)c1ccc2cc(O)ccc2c1 Tox21_303567 -NCGC00256760-01 196718803 tox21-ror-cho-viability-p1 set2 4 -1.37911386 3.51755537 4.83242788 -0.31958876 -1.38023079 0.92628543 1.2365203 -0.24545447 0.18035189 1.48182506 1.69707445 3.19495446 -1.37570167 2.2359425 2.70850746 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2439-54-5 75538 144212828 A Fns N-Methyloctan-1-amine CNCCCCCCCC Tox21_302511 -NCGC00254789-01 196714874 tox21-ror-cho-viability-p1 set2 4 -1.22993318 -0.64435573 -1.95903126 1.45413772 -0.91223096 1.32243467 -1.41819846 1.28735393 0.78847644 0.05254669 0.8271646 0.09735323 2.68760503 1.50315589 1.62103073 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10213-75-9 25053 144211202 A A 3-((2-Ethylhexyl)oxy)propionitrile CCCCC(COCCC#N)CC Tox21_300885 -NCGC00254934-01 196714057 tox21-ror-cho-viability-p1 set2 4 -0.64622606 0.93193633 2.58270562 0.01630331 1.41019235 -0.24858761 0.98687472 -0.22182189 0.66628663 3.00256319 -1.58816761 1.78148982 2.19626854 -1.2828429 0.72293655 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 21725-46-2 30773 144211349 A A Cyanazine Clc1nc(NCC)nc(NC(C)(C)C#N)n1 Tox21_301032 -NCGC00016000-13 196714459 tox21-ror-cho-viability-p1 set2 -2.1 62.5631710251 -86.9546650479 -7.581417428 -94.5360824759 0.7999999999 0.7935225917 0.0090570843 -11.05581116 -6.72151448 -0.54078049 -0.38144818 -1.08419188 -7.17335634 -4.86879997 -12.18815526 -23.77268579 -16.08541999 -27.90476574 -17.56678882 -25.55486996 -30.77595217 -71.6182443 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00254822-01 196714462 tox21-ror-cho-viability-p1 set2 4 -1.90857637 -1.09137553 0.52822655 -0.8600054 -0.33631096 -0.28806765 -1.85354059 0.83728972 -2.9868471 0.85477669 -0.42151321 5.43588373 1.41242079 0.11993251 -1.23982337 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1596-84-5 15331 144211236 A A Daminozide O=C(NN(C)C)CCC(=O)O Tox21_300919 -NCGC00254956-01 196714875 tox21-ror-cho-viability-p1 set2 4 3.25685219 3.4199831 1.19685632 -1.91505502 -1.54266076 0.9361418 -0.60327786 -0.7356089 -1.59047703 1.14050802 3.84435528 0.03102922 2.99591926 3.93222076 0.78810915 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-09-5 6915 144211371 A A 2-Ethylbutyric acid CCC(CC)C(=O)O Tox21_301054 -NCGC00254220-01 196714883 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -18.407867076 0.5 -17.907867076 4.9549173134 0.9280573185 0.0000607784 -1.28143076 0.53444656 0.01709432 1.09888026 0.87977605 0.96309759 -0.06051475 -0.01895731 0.28111386 0.36763585 -0.26313051 -0.50324124 1.94953803 1.71330489 -14.08988923 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-02-7 980 144210437 A A 4-Nitrophenol O=[N+]([O-])c1ccc(O)cc1 Tox21_300117 -NCGC00254641-01 196714886 tox21-ror-cho-viability-p1 set2 4 0.0432771257 -5.405336492 -0.5 -5.905336492 1.21 0.3371671024 0.3501368922 0.05824631 -0.53063329 -2.14605131 -2.47791007 0.00430593 -5.38102089 -5.91283569 -2.52608228 -9.30336262 -1.39737248 -9.71882739 -3.30093771 -10.33778041 -1.41756026 6.48384216 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4376-18-5 20392 144211052 A A Monomethyl phthalate COC(=O)c1ccccc1C(=O)O Tox21_300735 -NCGC00183839-01 196713234 tox21-ror-cho-viability-p1 set2 4 2.09784952 2.4879949 -0.13422674 -1.65606744 0.2346303 -0.94133104 0.35730051 2.56670393 1.76968301 0.39028918 1.24073645 0.26983643 -1.45026929 -1.09648671 1.97162146 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 156137-99-4 5311398 144206855 A C Rapacuronium bromide [Br-].C=CC[N+]1(CCCCC1)[C@H]6C[C@@H]5[C@](C)(CC[C@H]2[C@H]5CC[C@H]3C[C@H](OC(C)=O)[C@H](C[C@]23C)N4CCCCC4)[C@H]6OC(=O)CC Tox21_113304 -NCGC00162149-07 196712830 tox21-ror-cho-viability-p1 set2 3 29.8492948118 41.6447571759 -3.1447571759 38.5 4.5044702849 0.9402718335 0.0000221149 -5.12514075 -6.37063098 -4.51723003 -4.87520082 -2.64932458 -5.32609333 -3.02010138 0.00715559 -4.20015484 -3.68782481 -1.23789668 -0.48062416 2.69567931 2.7672964 33.31556176 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64-73-3 54686764 170465205 I Demeclocycline hydrochloride Cl.NC(=O)C=2C(=O)[C@@]3(O)C(O)=C4C(=O)c1c(c(Cl)ccc1O)[C@@H](O)[C@H]4C[C@H]3[C@@H](C=2O)N(C)C Tox21_110354_1 -NCGC00183848-01 196712834 tox21-ror-cho-viability-p1 set2 4 -0.96495469 0.9311528 1.35155574 -1.2971732 0.88037917 1.73988582 0.64891525 -0.41015445 -2.32576369 -2.11301292 1.39037723 -0.12722902 -2.5896498 1.87040125 0.395337 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 145918-75-8 151173 144206819 Z Z Troxacitabine OC[C@H]1OCC(O1)[N@@]2C=CC(N)=NC2=O Tox21_113268 -NCGC00015836-12 196713232 tox21-ror-cho-viability-p1 set2 4 0.0002984929 6.3029046879 -5.8029046879 0.5 2.3331733767 0.6974079073 0.0406297324 -5.66908724 -4.48940667 -3.44054025 0.58978836 -0.09020988 -0.82635722 0.99261588 0.39973802 0.01437227 -0.01837299 -0.20153456 0.4347258 0.50090739 -0.35634499 5.2143629 5.899E-11 1.319E-10 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 28797-61-7 4848 170465793 A Pirenzepine O=C(CN1CCN(C)CC1)N4c2ccccc2C(=O)Nc3cccnc34 Tox21_110239_1 -NCGC00244580-01 196724384 tox21-ror-cho-viability-p1 set3 4 34.3762428541 -33.845451232 6 -27.845451232 0.6999999999 0.7743335384 0.0130414565 -1.46371295 6.17658773 6.74179215 10.4185517 7.20373684 10.43900536 10.91374931 -0.01804823 1.55841043 -1.86469066 -3.33696528 -0.81093073 -2.16422477 -12.6096412 -19.87120936 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00016532-07 196722834 tox21-ror-cho-viability-p1 set3 4 0.8412674301 -7.1283529559 2.5 -4.6283529559 4.9549173134 0.337848639 0.3473170879 -2.42397719 -5.13701627 5.94752507 -0.66561583 10.13484828 4.44994196 7.66383923 2.96364252 0.406789 -0.43935761 -9.69029413 -8.61703404 -3.49507624 2.68415606 16.03543126 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 695-53-4 3081 170466460 Z Dimethadione O=C1NC(=O)C(C)(C)O1 Tox21_110479_1 -NCGC00159377-04 196722428 tox21-ror-cho-viability-p1 set3 4 6.6824247267 -7.309002708 2.5 -4.809002708 2.3331733767 0.4843268854 0.1940652886 2.25023032 -2.41437431 2.77537303 3.10262497 6.01922026 -0.90580026 0.64814797 4.50350637 1.28002864 6.61145324 7.06464531 -2.01726437 -1.48194287 -4.84083559 -4.38767555 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98-54-4 7393 170465689 Fc 4-tert-Butylphenol CC(C)(C)c1ccc(O)cc1 Tox21_111617_1 -NCGC00091261-03 196722824 tox21-ror-cho-viability-p1 set3 -2.4 61.130564862 -31.183020668 0.5 -30.683020668 2.6384283767 0.8083140707 0.0066685209 2.95325658 1.06932882 -0.85860707 -2.85114763 -3.2692304 7.25769955 2.14294165 -2.09787281 1.99745886 1.06419906 2.78889506 0.29170636 -6.07952553 -5.86010259 -23.06918389 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00021679-07 196722826 tox21-ror-cho-viability-p1 set3 4 0.0105909295 -25.5320797439 16.5 -9.0320797439 0.4 0.6168306375 0.0983950241 8.64710564 13.06636702 7.5971103 -0.37204594 0.58598968 1.73355333 -4.99150502 10.78005991 -3.35979735 -11.27673312 -7.6314247 -10.74472388 -7.42896379 -4.42098368 23.00708125 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1538-09-6 15232 170465096 B Benzathine penicillin G OC(=O)[C@@H]2N3C(=O)[C@@H](NC(=O)Cc1ccccc1)[C@H]3SC2(C)C.O=C(O)[C@@H]2N3C(=O)[C@@H](NC(=O)Cc1ccccc1)[C@H]3SC2(C)C.c1ccccc1CNCCNCc2ccccc2 Tox21_111587_1 -NCGC00253747-01 196722838 tox21-ror-cho-viability-p1 set3 4 0.5955717307 -5.7143632399 0 -5.7143632399 4.9549173134 0.4470842161 0.2457784441 0.73438561 -0.93561959 -0.05467335 -1.49878578 -0.96658879 1.13057046 0.10431201 -0.50276948 0.99834494 -5.75786934 -8.40148328 -11.8453027 0.03135307 -1.04594702 10.46541415 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10389-73-8 25223 170466437 A A Clortermine Clc1ccccc1CC(C)(C)N Tox21_113863 -NCGC00160660-02 196723243 tox21-ror-cho-viability-p1 set3 2.4 18.8336317891 33.1048981521 0.8951018479 34 0.7 0.7237870005 0.028308872 -0.89864339 3.52673879 1.9646311 -0.41790041 -2.17074846 4.11252887 4.00217944 -0.83047129 4.78612858 -1.57213667 14.36859419 12.20138964 10.39017458 10.27660086 29.46554033 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 76894-77-4 53555 170466629 A Dazmegrel O=C(O)CCn3c1ccccc1c(Cn2ccnc2)c3C Tox21_111966_1 -NCGC00254411-01 196720013 tox21-ror-cho-viability-p1 set3 4 2.58108385 1.03187677 1.16066954 -1.62081524 2.35406694 0.44620562 -0.47779072 -2.2227239 -2.44263117 -1.85676428 -0.56743933 -0.38618615 0.55966768 -0.19470593 3.51899746 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-78-1 6497 144210953 D Dimethyl sulfate O=S(=O)(OC)OC Tox21_300636 -NCGC00254410-01 196719585 tox21-ror-cho-viability-p1 set3 4 0.0021689943 -14.936638976 16 1.063361024 0.4 0.3993301552 0.2738451176 12.83750245 4.26408618 7.5197223 8.63001019 0.37644597 -0.2818348 7.78910869 8.91692044 0.81283941 0.36182394 3.79825306 -0.78053248 3.5698147 0.60869089 0.55087125 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80844-07-1 71245 144210696 A A Etofenprox CCOc1ccc(cc1)C(C)(C)COCc3cc(Oc2ccccc2)ccc3 Tox21_300378 -NCGC00254583-01 196719591 tox21-ror-cho-viability-p1 set3 1.4 0.0038570779 19.3276650679 -19.8276650679 -0.5 0.6 0.7869758704 0.0104098261 -13.21371138 -15.68972089 -4.50392716 -5.00884151 -5.15155259 -6.96118255 -2.13009654 -2.37347793 -1.14568129 0.17284727 1.61771255 0.93999868 -1.45853945 0.68750324 -3.24212614 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-48-4 60995 144210992 A A (2,2-Dimethoxyethyl)benzene COC(OC)Cc1ccccc1 Tox21_300675 -NCGC00253912-01 196720000 tox21-ror-cho-viability-p1 set3 4 2.7306020303 -8.214208256 0.5 -7.714208256 4.9549173134 0.4968214327 0.1985680866 -1.13913387 -10.17850688 -1.49471047 3.54884036 1.67690899 0.70947848 3.21411271 1.77119575 3.71703329 3.16188946 -7.8939459 -4.72834605 -9.05320341 -7.95902442 0.37072449 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-90-2 1983 144210420 A A Acetaminophen Oc1ccc(NC(C)=O)cc1 Tox21_300100 -NCGC00254315-01 196720411 tox21-ror-cho-viability-p1 set3 1.4 0.0216899429 22.8193601 -21.3193601 1.5 0.3 0.8537611195 0.0020220376 -16.09946675 -15.50739735 -8.82622936 -9.89129326 -9.24628113 -10.09334057 -3.54273595 -4.04230582 -4.91146109 -4.90034751 -4.15316155 -1.76754687 -4.25019776 1.27113047 1.94570087 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 375-95-1 67821 144210698 PFNA FC(F)(C(F)(F)C(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300380 -NCGC00255094-01 196720429 tox21-ror-cho-viability-p1 set3 4 6.0532277 -3.51184594 13.18300633 8.90833192 11.80475984 12.22857881 11.04457616 11.95249564 11.89862752 14.3094866 1.05744336 3.48806991 11.53435623 5.8000599 8.42123305 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18699-02-0 2018 144211514 A A 4-Acetylaminophenylacetic acid O=C(C)Nc1ccc(cc1)CC(=O)O Tox21_301197 -NCGC00090965-04 196716900 tox21-ror-cho-viability-p1 set2 4 54.4826732819 -22.5965074 1.5 -21.0965074 3.5117481694 0.8724575274 0.0010651347 4.47121203 -0.32032474 2.47022367 3.55862504 4.31588653 0.09806692 2.20310781 -0.21224834 -2.62504173 2.99647824 3.29594979 0.01704461 1.56007001 -4.42133911 -17.9970895 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00257456-01 196718965 tox21-ror-cho-viability-p1 set2 4 -0.75574849 0.85032445 1.91794824 3.52370929 -0.63517788 4.60348983 2.3112776 6.28191646 7.12596905 3.08994607 4.6245891 1.08960614 0.04704984 0.01556974 -2.48653618 7.314E-10 1.636E-9 3.657E-9 8.1779999999E-9 1.829E-8 4.089E-8 9.1429999999E-8 2.0439999999E-7 4.571E-7 0.000001022 0.000002286 0.000005111 0.000011429999999 0.00002556 0.00005714 521-18-6 10635 144213957 A F 5alpha-Dihydrotestosterone O=C3C[C@@H]4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)CC[C@@H]12)[C@@]4(C)CC3 Tox21_303655 -NCGC00257382-01 196718969 tox21-ror-cho-viability-p1 set2 4 44.6614224113 -16.046536192 2.5 -13.546536192 2.6384283767 0.6788957181 0.0487449617 0.18198436 3.3681891 1.73392998 1.24213467 0.60710655 6.98395903 -0.12310036 5.245592 5.27170702 3.20910911 1.09298037 -0.1877688 -0.60895286 -1.25100239 -10.03878016 9.0839999999E-10 2.0309999999E-9 4.5419999999E-9 1.016E-8 2.271E-8 5.0779999999E-8 1.136E-7 2.539E-7 5.678E-7 0.00000127 0.000002839 0.0000063479999999 0.00001419 0.00003174 0.000070969999999 52806-53-8 91649 144213961 A A Hydroxyflutamide O=C(Nc1cc(c(cc1)[N+]([O-])=O)C(F)(F)F)C(C)(C)O Tox21_303659 -NCGC00256899-01 196718971 tox21-ror-cho-viability-p1 set2 4 -0.54709448 0.66722739 0.56695954 0.5649338 -0.056843 4.32537814 2.17271663 5.25615549 3.03691171 0.51102866 5.94125717 2.87164911 0.71567489 0.26748328 3.66184919 5.338E-10 1.194E-9 2.6689999999E-9 5.968E-9 1.335E-8 2.9839999999E-8 6.6729999999E-8 1.4919999999E-7 3.3359999999E-7 7.4599999999E-7 0.000001668 0.00000373 0.0000083409999999 0.00001865 0.0000417 77337-73-6 155434 144212923 Ac Acamprosate calcium [Ca+2].O=C(C)NCCCS(=O)(=O)[O-].CC(=O)NCCCS([O-])(=O)=O Tox21_302606 -NCGC00091468-02 196716482 tox21-ror-cho-viability-p1 set2 4 -1.03879425 0.12006581 -1.6146187 -4.26984512 -2.8495626 -1.34031259 -4.35223566 -3.14183216 -6.31556755 -4.06016048 -1.86139148 -2.20521898 -5.92404246 -1.94564708 -4.99855371 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00258410-01 196716486 tox21-ror-cho-viability-p1 set2 4 4.00303444 0.95698082 0.02312189 1.43984066 3.1374712 2.09110646 -0.06707541 -0.23455859 1.12006263 4.28380807 2.28694605 4.43285948 0.83650281 1.05567885 2.43440858 1.173E-9 2.624E-9 5.867E-9 1.312E-8 2.934E-8 6.56E-8 1.4669999999E-7 3.28E-7 7.334E-7 0.0000016399999999 0.000003667 0.0000082 0.00001834 0.000041 0.00009168 74223-64-6 52999 144208054 A A Metsulfuron-methyl Cc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(OC)n2 Tox21_200856 -NCGC00090986-03 196716499 tox21-ror-cho-viability-p1 set2 -3 69.008347349 -38.40226026 -1.5 -39.90226026 4.5044702849 0.9417469761 0.0000193632 -4.37596843 -3.61190793 -1.11968039 0.92872853 -0.02864403 -1.75390437 -1.77553479 -3.39735474 -4.84187688 1.88150896 -0.68050237 -0.61220705 0.63560363 -5.14295439 -32.00188355 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00016296-07 196716908 tox21-ror-cho-viability-p1 set2 4 5.9557173066 -19.796389568 3.5 -16.296389568 1.21 0.9485624503 0.0000098898 0.62323798 1.56152281 2.7539119 2.73925661 4.94769447 6.22801919 5.36144773 4.11831591 3.18925131 0.3055018 0.55504966 -4.28261274 -9.4031128 -12.17795842 -14.83032464 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66-76-2 54676038 170465275 F Dicumarol OC=3c4ccccc4OC(=O)C=3CC1=C(O)c2ccccc2OC1=O Tox21_110357_1 -NCGC00024777-04 196716911 tox21-ror-cho-viability-p1 set2 4 -4.10896411 -7.10187843 -7.37762785 -3.4021158 -2.88651163 -7.73121972 -1.04518576 -2.62838071 -3.97098634 -1.99815627 -3.958243 -2.39604124 -2.43016561 -6.47950206 -6.87207015 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 156727-74-1 123924 170466880 A SNC 80 CCN(CC)C(=O)c1ccc(cc1)[C@H](c2cc(OC)ccc2)N3C[C@@H](C)N(C[C@@H]3C)CC=C Tox21_110925_1 -NCGC00247354-02 196716914 tox21-ror-cho-viability-p1 set2 4 1.87969745 2.06807612 0.30413926 4.51818695 7.28269993 3.4248637 7.66070894 4.79627678 2.34520648 1.84393896 0.14628898 -0.64210044 -0.57558042 1.988768 1.92290914 1.1609999999E-9 2.5959999999E-9 5.804E-9 1.298E-8 2.9019999999E-8 6.489E-8 1.451E-7 3.245E-7 7.255E-7 0.000001622 0.000003628 0.000008112 0.00001814 0.00004056 0.000090689999999 69049-06-5 64761 144206431 A A Alfentanil hydrochloride Cl.CCC(=O)N(c1ccccc1)C2(COC)CCN(CC2)CCN3N=NN(CC)C3=O Tox21_112878 -NCGC00095169-05 196717327 tox21-ror-cho-viability-p1 set2 4 0.3131935 2.34993673 2.23257486 1.77736652 1.86600575 3.45647564 4.68809015 4.87606701 3.70743065 3.04509919 4.44269181 0.51974847 0.11244674 2.92251647 -0.28734979 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58066-85-6 3599 170465622 F Miltefosine C[N+](C)(C)CCOP([O-])(=O)OCCCCCCCCCCCCCCCC Tox21_111466_1 -NCGC00159365-04 196717332 tox21-ror-cho-viability-p1 set2 4 1.89244932 1.45543575 -0.52310849 5.40812459 6.5268101 6.2564601 9.28536963 4.72152656 5.10485803 -0.19225588 3.12819152 3.86301659 -0.04756662 0.07063387 1.30592049 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122-46-3 67406 170466849 F m-Cresyl acetate O=C(C)Oc1cc(C)ccc1 Tox21_111606_1 -NCGC00163927-04 196717334 tox21-ror-cho-viability-p1 set2 4 0.0442913332 7.660491548 -8.660491548 -1 0.5 0.3755609088 0.2975574612 -9.59203681 -2.01568414 -8.12386093 -7.23280608 -3.9212847 -9.71707629 -0.39943032 -1.47629323 -0.51265866 -4.55374189 0.48439153 -6.14875227 -0.80731243 0.5366738 -1.54984048 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00015403-05 196725316 tox21-ror-cho-viability-p1 set3 4 0.0334914596 9.173750904 1.326249096 10.5 4.4494702849 0.4321051528 0.2581122556 1.38431752 2.74155665 -1.39479242 2.38256137 0.88741177 5.54179794 16.59654077 11.98884667 14.61801571 14.2027662 16.99786911 5.30743506 3.65796407 -0.99558854 -1.81696534 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35838-58-5 37274 170466445 B Etazolate hydrochloride Cl.C/C(C)=N\Nc2c(cnc1c2cnn1CC)C(=O)OCC Tox21_111226_1 -NCGC00016927-11 196725303 tox21-ror-cho-viability-p1 set3 1.1 7.4978038628 71.2210172304 -1.8740568844 69.346960346 4.0949729863 0.9958480397 0 0 0.5080741 1.06176297 -1.07840259 -0.35982067 -2.32282654 -3.90604727 -3.52023653 -0.91778009 -3.31574453 -2.88716194 1.82154019 45.94696065 68.97990577 69.82995594 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 74011-58-8 3229 170465263 A Enoxacin O=C(O)C2=CN(CC)c1nc(c(F)cc1C2=O)N3CCNCC3 Tox21_110688_1 -NCGC00021277-04 196725311 tox21-ror-cho-viability-p1 set3 4 -2.22816175 -6.63348452 10.79690625 10.8554725 7.68370616 -0.30671908 -0.2720535 -0.12611573 -2.55076561 -1.48862253 -1.3448086 2.88259393 -1.92541787 -2.16142672 -1.47107144 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-03-3 5702068 170466796 A Hydrocortisone acetate CC(=O)OCC(=O)[C@@]4(O)CCC3C2CCC1=CC(=O)CC[C@]1(C)C2[C@@H](O)C[C@@]34C Tox21_113074_1 -NCGC00255449-01 196728829 tox21-ror-cho-viability-p1 set3 4 43.2771256911 -16.62665208 3 -13.62665208 2.7202212143 0.5598363873 0.1278118371 -3.25064315 1.50608101 -2.06264071 7.72948301 5.78760341 4.96671064 6.51850315 1.05476037 -3.37192207 4.73474978 7.18031931 3.95050167 4.139673 -5.57734952 -11.3555434 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 151-05-3 9024 144212098 A A Dimethylbenzylcarbinyl acetate CC(=O)OC(C)(C)Cc1ccccc1 Tox21_301781 -NCGC00255151-01 196728818 tox21-ror-cho-viability-p1 set3 4 -1.25773633 3.04058515 5.85132603 5.57667742 -1.74421526 -0.7407286 -0.3182882 0.97058021 3.08200099 7.7294725 -0.22763682 -6.3204335 1.03952141 -2.62047268 1.48389265 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2499-95-8 17259 144212037 F Fns Hexyl acrylate O=C(C=C)OCCCCCC Tox21_301720 -NCGC00255260-01 196728819 tox21-ror-cho-viability-p1 set3 4 2.80054447 6.32592247 5.25016446 10.0899599 1.72300203 -1.47533381 4.08836885 2.85922643 5.20846087 3.39334715 4.54601955 -1.1626287 0.88827562 0.49339338 3.17172837 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 593-08-8 11622 144212155 A F 2-Tridecanone CC(=O)CCCCCCCCCCC Tox21_301838 -NCGC00255632-01 196728821 tox21-ror-cho-viability-p1 set3 4 2.33884292 1.69795559 -2.44633303 -6.86777314 -1.23595406 7.35128589 -1.56353632 -1.20600938 -4.37554214 -5.85041537 4.24495335 2.05812899 10.15169118 0.59443556 3.97834877 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7647-15-6 253881 144211660 Sodium bromide [Na+].[Br-] Tox21_301343 -NCGC00255318-01 196728833 tox21-ror-cho-viability-p1 set3 4 0.0068589622 -8.5361009159 8 -0.5361009159 4.9549173134 0.3355930242 0.3341327767 2.70182591 12.43792341 5.98997486 -5.86341743 -1.47350405 -1.07373066 1.27699507 7.96275351 -5.83464643 -4.70351038 -3.31185123 -2.47983676 7.67890922 -0.38804919 -0.66780898 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2244-21-5 23665761 144212740 Potassium dichloroisocyanurate [K+].ClN1C([O-])=NC(=O)N(Cl)C1=O Tox21_302423 -NCGC00258621-01 196729227 tox21-ror-cho-viability-p1 set3 -2.4 68.3107079272 -27.6616621919 -0.5 -28.1616621919 4.9549173134 0.8724382189 0.0010635316 0.75420108 -1.63772812 -1.79674692 -6.80945479 0.5837212 -0.809597 -0.81764439 1.17044948 -0.4249555 1.69851831 2.94875885 0.91034725 -0.30832062 -0.97214822 -23.05138516 1.1759999999E-9 2.63E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.576E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.00000822 0.000018379999999 0.0000411 0.0000919 1689-99-2 15533 144208266 C Bromoxynil octanoate Brc1cc(cc(Br)c1OC(=O)CCCCCCC)C#N Tox21_201068 -NCGC00257960-01 196729229 tox21-ror-cho-viability-p1 set3 4 0.6118543 3.30379171 -0.58085301 0.1259826 -0.71924018 0.15499083 -2.61746453 0.45733251 6.01172643 2.0544154 -0.18721651 -0.15050638 3.03958231 0.0393484 4.22981427 1.231E-9 2.752E-9 6.153E-9 1.3759999999E-8 3.076E-8 6.879E-8 1.538E-7 3.4389999999E-7 7.691E-7 0.0000017199999999 0.000003845 0.000008598 0.00001923 0.00004299 0.000096129999999 108-31-6 7923 144207604 A A 2,5-Furandione O=C1C=CC(=O)O1 Tox21_200406 -NCGC00258564-01 196729230 tox21-ror-cho-viability-p1 set3 2.1 51.0391171075 94.6244888924 0.335165437 94.9596543294 4.5044702849 0.9851761173 8.3E-9 -0.19150301 -0.39081683 0.15457437 1.02900279 -0.77949864 0.13773882 0.38069764 -2.94280982 -0.883744 -0.38515036 -0.74369494 1.01401624 8.87875601 10.12467993 78.39181797 9.2239999999E-10 2.062E-9 4.6119999999E-9 1.031E-8 2.306E-8 5.156E-8 1.153E-7 2.5779999999E-7 5.765E-7 0.0000012889999999 0.000002882 0.000006445 0.00001441 0.000032229999999 0.00007206 83905-01-5 447043 144208209 A A Azithromycin CN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)N(C)C[C@H](C)C[C@@]2(C)O)[C@@H]3O Tox21_201011 -NCGC00163771-03 196729233 tox21-ror-cho-viability-p1 set3 4 27.3060203028 7.2463775599 -4.2463775599 3 1.92824246 0.4991420927 0.1820895336 -4.23342476 -8.1219813 -4.56962286 -4.46506839 -5.11622684 -4.23608572 -0.22589645 -7.37702906 -0.03473548 -3.3626626 -5.47048598 -2.98641752 -2.14302448 1.06551459 2.26974965 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00247687-01 196704915 tox21-ror-cho-viability-p1 set1 4 -2.6179887 0.00465665 -0.03271386 -1.29369463 -2.21482044 -9.40052555 -1.10709151 -0.73083445 -0.12560124 -0.62333935 0.28091982 -1.85641872 0.07147469 -2.30319774 -4.15101733 1.307E-9 2.922E-9 6.533E-9 1.461E-8 3.266E-8 7.3039999999E-8 1.6329999999E-7 3.652E-7 8.1659999999E-7 0.000001826 0.000004083 0.00000913 0.00002041 0.00004565 0.00010209999999 78995-18-3 60196316 144206390 A A dl-cis-3-Methylfentanyl hydrochloride Cl.CCC(=O)N([C@@H]2CCN(CCc1ccccc1)C[C@@H]2C)c3ccccc3 Tox21_112837 -NCGC00094614-06 196704926 tox21-ror-cho-viability-p1 set1 4 -1.28210921 -0.23199121 -2.27438707 -2.21625863 -0.03263066 -2.47100138 0.73607147 -2.41409596 -3.37036276 -2.93289396 -1.93381511 -2.42570391 1.06516907 -0.25083141 -2.35079344 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 88-04-0 2723 170465503 Ac 4-Chloro-3,5-dimethylphenol Oc1cc(C)c(Cl)c(C)c1 Tox21_111305_1 -NCGC00094521-05 196705332 tox21-ror-cho-viability-p1 set1 4 -1.81094696 -2.48367572 -3.34837768 0.3295842 2.1497224 -1.55459057 -4.54000186 2.38390184 -1.77564557 1.90726747 -0.14597144 -0.15883495 0.39758021 -1.38560171 -3.11348699 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00091575-03 196705345 tox21-ror-cho-viability-p1 set1 4 0.26446485 0.14893354 0.59729023 1.433467 0.36877142 9.46130794 1.97547197 1.37692712 3.83948419 -3.52049906 -5.50663555 4.96406345 0.38326231 0.58352038 5.95098122 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-96-2 7211 170465521 F 2-Ethyl-1,3-hexanediol CCCC(O)C(CC)CO Tox21_111152_1 -NCGC00259599-01 196705761 tox21-ror-cho-viability-p1 set1 4 8.06992015 0.06484911 -1.09135582 7.39328135 -0.35486176 6.64491981 4.03485847 0.01017304 4.88559916 0 0.05142063 1.77762594 3.37836458 2.63557932 5.96149934 1.154E-9 2.5799999999E-9 5.7679999999E-9 1.29E-8 2.884E-8 6.449E-8 1.4419999999E-7 3.224E-7 7.21E-7 0.000001612 0.000003605 0.000008061 0.00001802 0.0000403 0.00009012 37143-54-7 123458 144209248 FNS 1-Methoxy-2-propylamine CC(N)COC Tox21_202050 -NCGC00260004-01 196705762 tox21-ror-cho-viability-p1 set1 4 6.0960075 2.51420434 -2.10142052 0.0114952 -0.10758474 2.18554963 -1.04836241 -0.1546587 -12.7092468 6.33352553 1.68828935 -4.01082873 -1.37303815 -3.66491209 6.08513203 1.197E-9 2.677E-9 5.9849999999E-9 1.338E-8 2.993E-8 6.6919999999E-8 1.496E-7 3.346E-7 7.482E-7 0.000001673 0.000003741 0.000008365 0.000018699999999 0.000041819999999 0.000093519999999 50-21-5 612 144209653 B A Lactic acid O=C(O)C(C)O Tox21_202455 -NCGC00259839-01 196706159 tox21-ror-cho-viability-p1 set1 4 2.4163376151 -6.616822136 1 -5.616822136 4.9549173134 0.3757937672 0.3122673525 -0.34179283 -1.94980164 0.50771651 -0.06116583 0.73193398 4.07143118 0.96581499 0.13276688 0.78444777 7.16549012 -13.84735178 -5.52477893 0.47413984 -4.14616597 6.52830671 1.173E-9 2.622E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.329E-7 0.0000016389999999 0.000003665 0.000008195 0.00001832 0.000040969999999 0.00009162 319-85-7 727 144209488 A F beta-Hexachlorocyclohexane Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl Tox21_202290 -NCGC00260318-01 196703274 tox21-ror-cho-viability-p1 set1 4 -2.82680263 0.50078183 -5.09502984 -3.80768441 -3.25528962 0.47840042 -5.41445983 -0.69856775 0.35972086 -0.52375324 -0.26225716 2.97223393 0.5499517 1.02554848 1.15329758 5.71E-11 1.2769999999E-10 2.855E-10 6.384E-10 1.427E-9 3.1919999999E-9 7.137E-9 1.596E-8 3.569E-8 7.9799999999E-8 1.7839999999E-7 3.99E-7 8.9219999999E-7 0.000001995 0.000004461 6923-52-0 23354 144209969 A Acetic acid, antimony(3+) salt [SbH3+3].O=C([O-])C.[O-]C(C)=O.[O-]C(C)=O Tox21_202771 -NCGC00258535-01 196702455 tox21-ror-cho-viability-p1 set1 4 -7.23929473 -9.31962191 -9.44094318 -9.63837256 -9.42302038 2.89266512 -11.43258284 -6.91593748 -3.58165896 -11.57580105 -10.48692613 -8.94979102 -15.72873868 -8.56888789 -9.97411992 1.187E-9 2.6549999999E-9 5.937E-9 1.3279999999E-8 2.968E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.421E-7 0.000001659 0.0000037109999999 0.000008297 0.00001855 0.00004149 0.00009276 111-18-2 8097 144208180 BC Fns N,N,N',N`-Tetramethylhexanediamine CN(C)CCCCCCN(C)C Tox21_200982 -NCGC00257670-01 196702856 tox21-ror-cho-viability-p1 set1 -1.1 0.0977728389 -82.9008403499 1.4570409555 -81.4437993944 2.3331733767 0.9895498612 1.1E-9 0.10176779 6.54882955 -0.53576115 -4.0256302 -2.93038096 -16.00246581 -62.27213004 -84.31035134 -82.67656353 -80.72538777 -82.31088542 -79.33082139 -82.90026024 -78.8382958 -74.92681045 1.189E-9 2.658E-9 5.9439999999E-9 1.3289999999E-8 2.9719999999E-8 6.6449999999E-8 1.486E-7 3.323E-7 7.4299999999E-7 0.0000016609999999 0.0000037149999999 0.000008307 0.00001857 0.00004153 0.00009287 1067-33-0 16682740 144207314 FC Dibutyltin diacetate O=C(C)O[Sn](CCCC)(OC(=O)C)CCCC Tox21_200116 -NCGC00159417-06 196702866 tox21-ror-cho-viability-p1 set1 -2.1 49.6956931991 -77.3061423087 3.8864188495 -73.4197234592 2.7867712143 0.9740383556 2.13E-7 4.45809135 1.64429523 -0.59297942 10.21122645 3.38589471 6.25726024 2.95444743 4.89059951 7.6352094 0.09372809 1.87167188 -0.06101773 1.17455852 -26.2545024 -62.06039656 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00357169-01 196703281 tox21-ror-cho-viability-p1 set1 4 -0.11201613 1.76778492 1.24801817 2.65350779 -0.11100552 0.66475344 0.66334235 1.13310776 -2.23340552 -0.55919897 3.08760307 4.35028132 1.47244785 1.19226979 5.18560059 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65-71-4 1135 251919935 A Thymine CC1=CNC(=O)NC1=O Tox21_303929 -NCGC00260123-01 196703288 tox21-ror-cho-viability-p1 set1 4 1.62888328 -0.86822891 1.98880348 2.98527744 0.67075237 0.65480797 2.66678164 1.26569001 0.99843349 2.36958858 3.5556506 1.11324279 2.0351192 0.65136179 7.48521936 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.626E-8 1.482E-7 3.3129999999E-7 7.408E-7 0.000001656 0.000003704 0.000008282 0.00001852 0.000041409999999 0.000092599999999 515-74-2 23664644 144209772 F Sodium 4-aminobenzenesulfonate [Na+].Nc1ccc(cc1)S(=O)([O-])=O Tox21_202574 -NCGC00256203-01 196701038 tox21-ror-cho-viability-p1 set1 4 0.0017228934 9.7320425679 -9.7320425679 0 4.9549173134 0.5029141269 0.1783509778 -8.52670214 -1.11305604 2.62921796 -0.843042 2.58730398 0.59289189 -0.96600715 1.51754156 -0.2277242 -0.3399987 -0.9338 -6.6161642 1.51976794 -0.05458981 1.89764348 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 470-99-5 79016 144212661 C F 3,5,5-Trimethyl-2-cyclohexen-1-ol CC1(C)CC(C)=CC(O)C1 Tox21_302344 -NCGC00260390-01 196703098 tox21-ror-cho-viability-p1 set1 -2.2 48.854168593 -40.429973608 0 -40.429973608 1.331 0.855762015 0.0018828956 7.18498121 0.03182448 -0.39523261 7.73782511 -1.15938269 -4.87224665 -1.19897131 -0.33935239 -1.19168314 -1.94211486 -1.99942764 -7.54018231 -6.23174584 -16.05310049 -30.35831134 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.000041429999999 0.000092629999999 54029-45-7 104677 144210042 A A 2-Nitro-4-thiocyanoaniline N#CSc1cc(c(N)cc1)[N+]([O-])=O Tox21_202844 -NCGC00260292-01 196703109 tox21-ror-cho-viability-p1 set1 4 -0.79046037 -10.66915894 -8.74372969 -4.36057167 0.63509506 -8.96306048 -9.7966153 -14.35183885 -1.33652229 -12.99548524 -4.87451635 -15.35377493 -0.99941284 -5.06907174 -6.57529245 2.8449999999E-10 6.361E-10 1.422E-9 3.1809999999E-9 7.112E-9 1.59E-8 3.556E-8 7.9519999999E-8 1.778E-7 3.976E-7 8.89E-7 0.000001988 0.000004445 0.00000994 0.00002223 142-77-8 5354342 144209942 Fns 9-Octadecenoic acid (9Z)-, butyl ester O=C(CCCCCCC/C=C\CCCCCCCC)OCCCC Tox21_202744 -NCGC00164127-03 196703111 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -12.095652664 3.5 -8.595652664 3.6772481694 0.6458743671 0.0680637709 4.03230774 7.86365959 3.9677141 2.93505211 0.68055551 6.3694574 2.06437353 3.44881855 1.61976206 4.06980082 3.44515424 2.6527674 3.14090323 1.98192322 -5.49637722 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00255786-01 196700628 tox21-ror-cho-viability-p1 set1 4 1.52211559 -2.25690024 0.17099921 -9.22302783 -1.47241832 -5.29129047 0.64107831 -9.09339227 -4.04056608 -1.34359111 -7.06283478 0.04071372 -3.28137197 -5.35975647 -1.36030293 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 557-30-2 5354753 144212707 A Ac Glyoxime ON=CC=NO Tox21_302390 -NCGC00255715-01 196700633 tox21-ror-cho-viability-p1 set1 4 30.6378586933 10.0817733919 -3.0817733919 7 4.9549173134 0.5389697513 0.1454861624 -4.9844089 -6.73481116 -3.58805201 1.06383448 2.65290694 -5.54724635 -1.02014473 -5.9513549 -5.87590678 -1.93185562 -2.00962708 0.92669285 -5.46100732 6.33031962 6.34142466 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2605-79-0 62452 144212550 A A N,N-Dimethyldecylamine oxide C[N+]([O-])(C)CCCCCCCCCC Tox21_302233 -NCGC00255488-01 196700643 tox21-ror-cho-viability-p1 set1 -2.1 54.4826732819 -88.1358737519 -2.35772705 -90.4936008019 2.7202212143 0.962758669 0.0000016432 -2.71083933 -4.5682384 -2.3993906 -0.78444795 -2.73579535 0.21981347 -1.56107046 -0.62263943 -0.60858483 0.85484565 -14.3180206 0.17697588 -3.64158042 -33.2439869 -72.72242485 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 497-39-2 10346 144211841 A A 4,6-Di-tert-butyl-m-cresol CC(C)(C)c1cc(c(C)cc1O)C(C)(C)C Tox21_301524 -NCGC00255267-01 196701046 tox21-ror-cho-viability-p1 set1 4 -0.55858596 0.88370896 -0.07533874 0.56019069 -4.02593364 -2.65175951 -5.54183478 0.02535494 -2.23309096 0.80700635 -2.84303621 0.97369876 0.57443154 0.28490594 0.32464411 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-19-7 6924 144211958 A A o-Toluenesulfonamide Cc1ccccc1S(=O)(N)=O Tox21_301641 -NCGC00255854-01 196701047 tox21-ror-cho-viability-p1 set1 4 5.4482673282 -10.1079626479 1.5 -8.6079626479 4.9549173134 0.8455596973 0.0026022146 0.87836765 1.12538879 -0.04012629 1.26163658 3.98549683 0.22977252 0.6474729 0.79020533 0.29233118 3.81343506 1.4682969 -9.11550265 -6.80848078 -5.19242252 -11.75663554 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3249-53-4 41331 144212295 A A 4-Ethoxy-4-oxobut-2-enoic acid OC(=O)C=CC(=O)OCC Tox21_301978 -NCGC00255315-01 196701050 tox21-ror-cho-viability-p1 set1 4 5.64654785 -0.24935212 1.04526957 1.68225324 1.57553303 1.69235745 6.25254812 3.87709405 0.68059126 8.19927914 0.5080223 0.33532988 1.05293283 9.46147898 3.20532922 7.255E-10 1.622E-9 3.628E-9 8.1119999999E-9 1.814E-8 4.0559999999E-8 9.069E-8 2.028E-7 4.535E-7 0.000001014 0.0000022669999999 0.00000507 0.00001134 0.00002535 0.00005668 65-30-5 2735101 144212671 A Fns Nicotine sulfate CN2CCC[C@H]2c1cnccc1.O=S(=O)(O)O.CN2CCC[C@H]2c1cccnc1 Tox21_302354 -NCGC00256255-01 196701056 tox21-ror-cho-viability-p1 set1 4 -1.38575602 -1.40087274 -1.11594032 -0.45746227 0.21505903 -1.17450887 3.89915837 8.09183129 0.6008916 -2.03858726 3.83357867 -0.26460688 0.81599767 -1.15936386 1.20857341 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 931-36-2 70262 144211802 A A 2-Ethyl-4-methyl-1H-imidazole Cc1cnc(CC)n1 Tox21_301485 -NCGC00168342-02 196701453 tox21-ror-cho-viability-p1 set1 4 0.10362352 1.96330883 -4.4779229 -4.9033178 -0.15684414 0.6384571 0.82417029 3.00036789 -4.35137378 1.14208661 3.25814137 0.87774129 2.33928698 -3.29535616 0.84123568 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00256866-01 196727397 tox21-ror-cho-viability-p1 set3 4 -0.22338484 0.5914679 1.82362898 -0.25442094 -1.37985805 -1.78946828 -1.85951373 -0.34312175 -1.75941412 1.18843902 -2.36271388 7.04329078 0.60588291 2.54455621 1.59104374 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 39255-32-8 62902 144213029 Fns Ethyl 2-methylpentanoate CCCC(C)C(=O)OCC Tox21_302712 -NCGC00257464-01 196727380 tox21-ror-cho-viability-p1 set3 4 -2.46512565 -1.93848019 -0.04365263 1.94441474 -5.0230819 -0.59536786 1.21859651 -4.84415402 -0.08796161 0.46118278 3.56027068 -4.07487928 -1.19142602 2.99702375 4.38893245 7.726E-10 1.7279999999E-9 3.8629999999E-9 8.638E-9 1.932E-8 4.319E-8 9.658E-8 2.1599999999E-7 4.829E-7 0.00000108 0.0000024149999999 0.0000053989999999 0.00001207 0.000027 0.00006036 520-18-3 5280863 144213678 A A Kaempferol Oc1ccc(cc1)C=3Oc2cc(O)cc(O)c2C(=O)C=3O Tox21_303363 -NCGC00090704-03 196727381 tox21-ror-cho-viability-p1 set3 4 0.8634921799 4.091637536 -1.091637536 3 3.5117481694 0.4045678839 0.2700270314 1.85938141 -0.50728172 -4.01138842 -4.24303128 -0.63225012 -3.48970797 1.97554596 -0.13714173 -1.46379592 7.43904571 5.15645361 0.35405585 -0.09544704 5.26715427 1.80759027 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00091044-02 196728215 tox21-ror-cho-viability-p1 set3 4 2.86784339 0.47514813 -3.54802614 0.33523658 1.7255353 -1.27275373 2.30580867 -6.41917378 4.29769322 1.24604403 -1.18917449 12.59701905 -5.79537376 5.25677101 2.87272805 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00255201-01 196727807 tox21-ror-cho-viability-p1 set3 4 2.69910661 4.6968414 3.58837169 2.25166216 1.00607483 0.39630122 -1.44729636 0.27610891 2.9850724 -1.99501175 1.95556883 -4.47099162 -2.21460562 -4.9257138 3.67874106 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13647-35-3 656583 144212723 A A Trilostane N#CC=2C[C@]4(C)[C@H]5CC[C@]1(C)[C@@H](O)CC[C@H]1[C@@H]5CC[C@@]34O[C@@H]3C=2O Tox21_302406 -NCGC00255303-01 196727815 tox21-ror-cho-viability-p1 set3 4 -1.00223613 1.5869161 2.24052924 0.45466809 -1.05385027 -7.44124641 -6.29519758 -4.61589737 6.51839811 -2.40014618 -2.9046404 8.70886205 -0.55962709 -1.15144655 -0.81234173 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 64-19-7 176 144211770 A A Acetic acid CC(=O)O Tox21_301453 -NCGC00256177-01 196728218 tox21-ror-cho-viability-p1 set3 4 -2.6280495 -5.39382271 6.18593963 3.22495263 -4.94268727 -0.72754563 -3.4131195 0.07195516 -0.87118177 -0.21236343 1.9200068 -1.10654288 0.56141696 0.09362133 -0.09400455 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3923-79-3 73539 144211574 A A 4,5-Dihydroxy-1,3-dimethylimidazolidin-2-one CN1C(=O)N(C)C(O)C1O Tox21_301257 -NCGC00255364-01 196728220 tox21-ror-cho-viability-p1 set3 4 8.6349217992 18.254791292 -6.254791292 12 4.9549173134 0.7323356215 0.0252053286 0.02140629 -4.68846321 -3.60968041 -5.99543095 1.55959882 -8.00609293 -13.54565941 -8.96826199 -1.6117848 -9.65626394 -10.98486451 1.05948979 16.74586166 8.84177134 9.90165778 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6373-74-6 5284435 144212203 A C.I. Acid Orange 3 [Na+].O=S([O-])(=O)c2cc(ccc2Nc1ccccc1)Nc3ccc(cc3[N+]([O-])=O)[N+]([O-])=O Tox21_301886 -NCGC00255179-01 196728221 tox21-ror-cho-viability-p1 set3 4 0.1141745 4.43822077 -1.09088723 -4.51567647 2.27488847 0.84273662 -0.93457377 -1.61811923 1.15040345 -3.82246113 2.97298841 -4.52075675 -2.88894808 1.88890278 -2.97331479 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-51-3 6649 144212293 A D 4,4'-Oxybis(benzenesulfonhydrazide) O=S(=O)(NN)c2ccc(Oc1ccc(cc1)S(=O)(=O)NN)cc2 Tox21_301976 -NCGC00255815-01 196728223 tox21-ror-cho-viability-p1 set3 -1.1 12.1227658336 -96.0292086673 1.2112974209 -94.8179112464 1.826479391 0.9847059708 1E-8 1.87220369 -2.76516557 -0.18333421 -2.00054712 -0.79590779 -0.20890237 5.57771525 -1.42214392 4.38390072 0.61280992 -2.01070444 -31.90564649 -71.23982457 -79.49801484 -87.30931054 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 594-30-9 299728 144212639 F Triphenylbismuthine dichloride Cl[Bi](Cl)(c1ccccc1)(c2ccccc2)c3ccccc3 Tox21_302322 -NCGC00256001-01 196728225 tox21-ror-cho-viability-p1 set3 4 4.7843275 4.17878473 7.47079386 2.56348439 1.0049286 4.05210246 13.8612742 13.87674568 3.40024245 -5.50544325 -2.8094463 7.12180707 -3.4567084 12.03511509 5.69055939 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 499-75-2 10364 144211695 A A Isopropyl-o-cresol Cc1ccc(cc1O)C(C)C Tox21_301378 -NCGC00255746-01 196728228 tox21-ror-cho-viability-p1 set3 4 0 7.2314514 5.25220796 0.10745341 -4.98561838 -1.60547507 -4.42437564 5.26128623 -2.48136006 5.99386617 7.93164561 -7.10178604 -2.68814828 0.47410762 1.40462266 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 5459-58-5 79571 144212443 A A Butyl cyanoacetate O=C(CC#N)OCCCC Tox21_302126 -NCGC00255247-01 196728230 tox21-ror-cho-viability-p1 set3 -2.2 43.2771256911 -53.9783450916 0.9601942809 -53.0181508107 2.4063783767 0.946088256 0.0000126858 2.05882217 -5.46696969 0.13630511 5.308549 -0.62806732 -1.55398237 -3.63319506 4.73232798 2.84649297 1.48733566 2.65756893 1.94262515 -0.81801207 -25.95268633 -45.08950819 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3691-35-8 19402 144211882 B F Chlorophacinone Clc1ccc(cc1)C(c2ccccc2)C(=O)C4C(=O)c3ccccc3C4=O Tox21_301565 -NCGC00090952-07 196708187 tox21-ror-cho-viability-p1 set1 4 0.0019665862 -13.4942767399 -3.296630436 -16.7909071759 3.2974983358 0.3107417499 0.3725792847 -5.24719203 -13.57774867 -13.597677 -20.30415022 -14.98727145 -21.40475898 -17.75087376 -18.98620891 -14.50671368 -15.29637283 -28.57575598 -12.0822167 -11.5073983 -10.9137978 -12.43126034 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00256881-01 196707785 tox21-ror-cho-viability-p1 set1 4 5.34858803 4.18895126 0.88784438 -0.68139831 3.49700002 4.64989125 1.45267433 2.74736111 0.38972435 1.05701646 0.02970746 2.43043247 0.67651888 4.40715753 4.94939434 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 37526-88-8 250096 144212965 A F Benzyl tiglate C\C=C(/C)C(=O)OCc1ccccc1 Tox21_302648 -NCGC00256676-01 196707795 tox21-ror-cho-viability-p1 set1 4 1.3685428777 8.56581078 -10.06581078 -1.5 4.9549173134 0.506538399 0.1896338551 -11.61813392 -2.76512502 -11.37577546 -15.88817565 -10.81559269 -6.3044879 -13.15521216 -6.07996212 -10.6256844 -4.54412428 4.38125605 -5.5787594 -0.52634352 -4.30355221 -10.19071096 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5205-11-8 21265 144213022 A A 3-Methyl-2-butenyl benzoate C/C(C)=C\COC(=O)c1ccccc1 Tox21_302705 -NCGC00256321-01 196708207 tox21-ror-cho-viability-p1 set1 4 0.0485577337 5.4778882919 -4.9778882919 0.5 0.5999999999 0.4263154431 0.2508965688 -3.38353277 -4.18989342 -7.06490691 -2.14256016 0.79184414 -5.14094878 0.12774126 -2.41552331 -1.87020578 4.08645937 -0.00251063 -0.69267917 -0.69745471 -0.22811798 1.11576653 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 75-12-7 713 144213141 A A Formamide NC=O Tox21_302824 -NCGC00259971-01 196708604 tox21-ror-cho-viability-p1 set2 4 44.822031193 -10.948429432 -1 -11.948429432 0.9999999999 0.6213751251 0.0839765438 -1.92009729 0.72994249 -1.25710308 1.98296382 -1.19931939 -1.48674402 -1.28622571 -5.49736124 -0.98723717 -3.2878256 -0.38877631 -0.65280237 -5.14782226 -6.73203346 -8.29035786 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.794E-8 1.519E-7 3.397E-7 7.596E-7 0.0000016979999999 0.000003798 0.000008492 0.000018989999999 0.00004246 0.00009494 98-86-2 7410 144209620 A A Acetophenone CC(=O)c1ccccc1 Tox21_202422 -NCGC00259220-01 196708616 tox21-ror-cho-viability-p1 set2 4 0.93502256 -0.86118701 -1.01021673 0.30056758 1.15735991 0.6529867 1.52543503 0.18891658 -0.92235911 -0.43753323 2.90213562 -0.9790978 1.42357796 -0.21367118 0.09666569 1.19E-9 2.66E-9 5.949E-9 1.3299999999E-8 2.9739999999E-8 6.6509999999E-8 1.487E-7 3.325E-7 7.436E-7 0.000001663 0.000003718 0.000008314 0.00001859 0.00004157 0.00009295 57-10-3 985 144208869 A A Hexadecanoic acid O=C(O)CCCCCCCCCCCCCCC Tox21_201671 -NCGC00258803-01 196708619 tox21-ror-cho-viability-p1 set2 4 -3.51928066 -3.70012112 -4.95337904 -1.31301246 -1.76430819 -0.51335199 -4.20530584 2.66249964 -0.58841677 -0.13222339 -2.97727263 -0.07010036 0.06292484 0.30038347 2.8835985 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.000041429999999 0.000092629999999 95-49-8 7238 144208449 A Fns 2-Chlorotoluene Cc1ccccc1Cl Tox21_201251 -NCGC00258986-01 196709022 tox21-ror-cho-viability-p1 set2 4 -1.65392226 -0.19048607 0.06736337 4.56643692 0.65323046 -0.06077153 -0.69589134 -0.76894305 0.09133716 -0.07894146 0.16550872 -1.1937595 -0.64898668 -0.62061893 0.5559477 1.21E-9 2.706E-9 6.051E-9 1.353E-8 3.0259999999E-8 6.765E-8 1.5129999999E-7 3.3829999999E-7 7.564E-7 0.000001691 0.000003782 0.000008457 0.00001891 0.00004228 0.00009455 1702-17-6 15553 144208633 A A Clopyralid Clc1ccc(Cl)nc1C(=O)O Tox21_201435 -NCGC00260011-01 196709039 tox21-ror-cho-viability-p1 set2 4 -3.93912382 -4.28123566 -7.38644417 -2.47925022 -0.91849751 -1.63799966 -0.27168315 -0.44614596 0.7082761 -0.62513201 -0.21499833 -1.78500866 0.74126866 -3.34196989 -0.07313779 1.1679999999E-9 2.6109999999E-9 5.838E-9 1.305E-8 2.919E-8 6.5269999999E-8 1.4599999999E-7 3.264E-7 7.298E-7 0.0000016319999999 0.0000036489999999 0.000008159 0.000018239999999 0.000040799999999 0.00009122 88-12-0 6917 144209660 A A N-Vinyl-2-pyrrolidone O=C1CCCN1C=C Tox21_202462 -NCGC00091483-03 196709445 tox21-ror-cho-viability-p1 set2 4 -4.07392621 -2.29455635 0.03800851 2.01835967 -0.76440389 -4.44641516 0.51896459 -5.25814466 -2.60245828 -2.45612415 1.86485423 2.89371615 1.69767601 -4.23972965 -8.26447108 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00259053-01 196709451 tox21-ror-cho-viability-p1 set2 4 0.69829331 2.27318085 -1.19716602 -1.9305923 2.10749842 2.68179087 0.39598824 1.56734822 0.95115016 1.59496058 -0.82967077 0.92478541 3.47599325 2.48182802 0.38430585 1.162E-9 2.598E-9 5.8089999999E-9 1.299E-8 2.905E-8 6.495E-8 1.4519999999E-7 3.247E-7 7.2619999999E-7 0.000001624 0.0000036309999999 0.000008119 0.000018149999999 0.00004059 0.000090769999999 122-57-6 15909 144208700 A A Methyl styryl ketone CC(=O)C=Cc1ccccc1 Tox21_201502 -NCGC00259117-01 196709457 tox21-ror-cho-viability-p1 set2 -2.4 6.1939619411 -18.4144823199 -3.5 -21.9144823199 1.4641 0.7523380698 0.0187946001 -0.80742423 -2.22710744 -9.8357529 -13.76880152 -0.30764692 -3.88530743 -1.61879888 1.31322144 -0.31159658 -3.34110673 -11.36912751 -14.59508416 -18.44568967 -23.2620686 -19.36463327 1.193E-9 2.667E-9 5.963E-9 1.333E-8 2.982E-8 6.6669999999E-8 1.491E-7 3.3339999999E-7 7.4539999999E-7 0.0000016669999999 0.0000037269999999 0.0000083339999999 0.00001864 0.00004167 0.00009318 97-86-9 7352 144208766 AC Isobutyl methacrylate CC(=C)C(=O)OCC(C)C Tox21_201568 -NCGC00257072-01 196706981 tox21-ror-cho-viability-p1 set1 4 48.5577336745 12.0097852281 0.4902147719 12.5 2.7202212143 0.4878613138 0.1907157034 1.27589775 1.60356291 1.5153111 2.50136513 -5.30873076 2.11418821 3.81572252 3.53031237 2.93864992 0.16639551 -5.84148769 1.07936215 -0.30340737 6.02111622 10.56307931 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 616-45-5 12025 144213576 A A 2-Pyrrolidinone O=C1CCCN1 Tox21_303259 -NCGC00257087-01 196707208 tox21-ror-cho-viability-p1 set1 4 -0.20238888 1.29096155 0.55481611 0.65401443 1.0798132 1.30858983 -0.91411415 1.42077392 1.19764575 -0.95512853 -0.8747653 7.41388854 5.22929742 5.34800032 7.62021006 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-67-1 6547 144213494 F 2,2'-Azobis(2-methylpropanenitrile) N#CC(C)(C)/N=N/C(C)(C)C#N Tox21_303177 -NCGC00259739-01 196706798 tox21-ror-cho-viability-p1 set1 4 -12.1330836 -4.2952621 -6.96897904 -12.31967031 -8.41784898 -3.50136688 -5.1569926 -8.41808577 1.12197376 -9.76189426 -10.21453301 -2.71728101 -1.53548379 -0.60653173 -3.34542596 1.163E-9 2.5999999999E-9 5.8149999999E-9 1.2999999999E-8 2.9069999999E-8 6.501E-8 1.454E-7 3.25E-7 7.268E-7 0.000001625 0.000003634 0.000008126 0.00001817 0.00004063 0.000090849999999 121-03-9 8458 144209388 A A 2-Methyl-5-nitrobenzenesulfonic acid Cc1ccc(cc1S(O)(=O)=O)[N+]([O-])=O Tox21_202190 -NCGC00259261-01 196706805 tox21-ror-cho-viability-p1 set1 4 -2.62029608 -3.40548914 0.37395859 0.96744982 0.1924633 -4.43487006 0.88541955 0.01193488 -0.05030821 11.33972373 1.83327385 1.48452609 -0.13366907 -2.6313701 0.28707714 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004124 0.00009223 1445-75-6 3073 144208910 A Diisopropyl methylphosphonate CP(=O)(OC(C)C)OC(C)C Tox21_201712 -NCGC00091009-05 196706806 tox21-ror-cho-viability-p1 set1 4 3.27697165 2.69609481 1.77356803 0.24678928 0.65680519 2.43333366 0.58971677 0.48166242 2.52943454 1.13208139 -2.87452951 -0.31759006 -5.38073107 -4.96348616 -5.41386471 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00256437-01 196707615 tox21-ror-cho-viability-p1 set1 4 0.32420158 -5.98278937 0.16246677 -4.97818495 -4.73015007 0.27248957 -15.10230328 -5.89231698 -17.38400214 -9.91232999 -6.38770111 -1.5149454 3.26758026 -6.61859152 -0.33444907 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-09-1 6626 144213160 A A 4,4'-Sulfonyldiphenol Oc1ccc(cc1)S(=O)(=O)c2ccc(O)cc2 Tox21_302843 -NCGC00257421-01 196707628 tox21-ror-cho-viability-p1 set1 4 0.0769588215 8.061338652 0.938661348 9 0.9999999999 0.4925970881 0.1859283109 3.13569027 1.70436148 -0.46778221 1.54916146 4.30564328 -0.38065322 11.73110239 8.11099315 9.55215151 0.51709847 8.23056439 10.38697185 10.06684416 7.69669555 11.74265011 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6080-56-4 22456 144213813 A Lead(II) acetate trihydrate [O-]C(C)=O.[O-]C(C)=O.[Pb+2].O.O.O Tox21_303505 -NCGC00256968-01 196708038 tox21-ror-cho-viability-p1 set1 4 4.3277125691 -17.1690116521 -5.3532981559 -22.522309808 0.3 0.4070802757 0.2824559016 -6.80623911 -6.59146653 -11.64367151 -10.59170985 -3.35854955 -15.69782854 -2.79441513 -5.36424384 -12.85143489 -15.68748828 -17.10192484 -15.46256551 -13.61585077 -16.60885135 -8.53146872 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 125-31-5 67172 144213379 A F p-Xylenol blue Cc1cc(c(C)cc1O)C3(OS(=O)(=O)c2ccccc23)c4cc(C)c(O)cc4C Tox21_303062 -NCGC00257109-01 196708039 tox21-ror-cho-viability-p1 set1 4 0.42101407 5.22248814 3.31944845 -2.09403049 5.17675971 -1.84615282 -3.238845 -2.85677331 5.2950088 5.09526135 0.16223943 3.04614293 2.79370961 2.0746915 3.2871801 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 0.000091709999999 108-80-5 7956 144213509 F Ac Cyanuric acid Oc1nc(O)nc(O)n1 Tox21_303192 -NCGC00256849-01 196708047 tox21-ror-cho-viability-p1 set1 4 0.35577978 2.28711422 -1.40348273 2.47768751 0.59258708 2.37957154 3.09634731 1.75588067 2.43525723 3.47560643 2.91241569 -0.91123386 -0.75700131 1.46360217 2.94623014 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2639-63-6 17525 144212762 A F Hexyl butyrate O=C(CCC)OCCCCCC Tox21_302445 -NCGC00257143-01 196708052 tox21-ror-cho-viability-p1 set1 4 7.6958821542 5.38139514 0.11860486 5.5 4.9549173134 0.5975366525 0.100532714 0.06386855 -1.73509697 -1.98449595 0.23447342 3.07169332 0.49563532 3.83454785 -1.76919651 -0.57150988 -0.52720626 -1.51657382 3.64733036 5.50331846 2.81756083 8.16410278 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 35367-38-5 37123 144213455 A A Diflubenzuron Clc2ccc(NC(=O)NC(=O)c1c(F)cccc1F)cc2 Tox21_303138 -NCGC00259359-01 196708446 tox21-ror-cho-viability-p1 set2 4 0.0250559897 -3.7816058039 3 -0.7816058039 4.9549173134 0.4083755501 0.2687612938 0.03605682 1.35463998 3.84532269 7.09667084 -0.18157201 -3.15133817 0.56613372 -1.8475512 -1.54739492 -1.10759533 -0.73382125 3.43130397 -0.85257162 -0.76927756 -0.79526851 1.2089999999E-9 2.702E-9 6.0429999999E-9 1.3509999999E-8 3.021E-8 6.7559999999E-8 1.511E-7 3.3779999999E-7 7.5529999999E-7 0.000001689 0.000003777 0.000008445 0.00001888 0.00004222 0.00009441 92-48-8 7092 144209008 A A 6-Methyl coumarin Cc1ccc2OC(=O)C=Cc2c1 Tox21_201810 -NCGC00160436-02 196705157 tox21-ror-cho-viability-p1 set1 4 -2.24686716 -4.23287771 -4.51317497 -4.18612742 -2.61323515 0.93789055 -2.05398843 -2.66642294 -1.44906272 -0.04730349 0.78045104 -0.82429869 0.90018544 0.67250345 0.60812965 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5467-78-7 21640 170466193 A Fenamol Nc2nnnn2c1ccccc1 Tox21_113085_1 -NCGC00095264-04 196722651 tox21-ror-cho-viability-p1 set3 -2.4 9.4391758155 -24.2867720719 -0.5 -24.7867720719 2.9022712143 0.9852471266 3.56E-8 0.61475717 -0.73730583 -0.27549514 -1.32899119 0 -1.48762831 0 -0.81492431 -0.96201927 -0.04579869 1.27365007 -2.6337249 -12.24485831 -22.32231006 -3.84159701 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 773-76-2 2722 170465084 A Chloroxine Oc1c(Cl)cc(Cl)c2cccnc12 Tox21_111494_1 -NCGC00259009-01 196722238 tox21-ror-cho-viability-p1 set3 4 27.8344740659 8.6696969719 -4.1696969719 4.5 4.9549173134 0.4231285502 0.2508408689 -8.05808081 -7.35748676 -3.74202189 4.35327684 -3.49241779 -6.238156 -6.33738484 -4.1953764 -3.74659816 1.67802746 -4.97005064 -4.40449732 -5.47051276 6.32460741 2.661611 1.1989999999E-9 2.6809999999E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.7019999999E-8 1.4989999999E-7 3.351E-7 7.493E-7 0.000001675 0.000003746 0.000008377 0.00001873 0.00004189 0.00009366 103-33-3 2272 144208656 I Azobenzene N(=N/c1ccccc1)\c2ccccc2 Tox21_201458 -NCGC00165973-02 196722642 tox21-ror-cho-viability-p1 set3 2.2 33.4914596268 37.096665492 2.903334508 40 0.9999999999 0.6786435988 0.0482956461 8.54985708 3.62603416 8.48325088 5.03917812 0.78062523 -2.16388791 3.12872514 0.06589653 9.13785352 6.47032871 7.60200626 9.45016172 2.26610555 15.19933701 31.57974446 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 96-27-5 7291 170466830 F 1-Thioglycerol OCC(O)CS Tox21_112276_1 -NCGC00247717-01 196722644 tox21-ror-cho-viability-p1 set3 1.4 0.078824106 20.8880369479 -16.8880369479 4 4.0949729863 0.7635407604 0.0156679779 -16.45041385 -22.09573232 -15.81507639 -3.66983991 -25.74003079 -5.54830042 -2.58305351 0 6.763549 3.73634146 5.64211487 1.97029683 5.27759507 3.02675068 12.30660613 1.3249999999E-9 2.964E-9 6.6269999999E-9 1.482E-8 3.314E-8 7.409E-8 1.6569999999E-7 3.705E-7 8.284E-7 0.000001852 0.000004142 0.000009262 0.00002071 0.00004631 0.0001035 2426-63-3 24802109 144206433 A A 5-Methoxy-N,N-diisopropyltryptamine hydrochloride Cl.CC(C)N(CCc2cnc1ccc(cc12)OC)C(C)C Tox21_112880 -NCGC00186628-02 196722653 tox21-ror-cho-viability-p1 set3 4 5.83994927 0.00926611 6.16888361 2.18387493 3.63989377 5.79121764 4.22480145 2.34374696 -3.24037117 -6.93662992 3.79434151 4.49879604 -5.31937671 4.31939496 7.64174617 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 149-64-4 6852391 170465685 A Butylscopolamine bromide [Br-].OC[C@H](c1ccccc1)C(=O)O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N+]3(C)CCCC Tox21_112031_1 -NCGC00018295-05 196722665 tox21-ror-cho-viability-p1 set3 4 0.0749780386 -9.50881358 5 -4.50881358 4.9549173134 0.5985604414 0.098108501 11.09498319 4.81728211 -1.72293006 -0.90927782 8.15417745 8.93647455 0.42170067 -4.79341782 -5.06438473 -4.36994696 -1.17519266 -6.34805131 0.82104019 -5.7199015 -8.75734465 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 579-56-6 11368 170465968 A Isoxsuprine hydrochloride Cl.Oc1ccc(cc1)C(O)C(C)NC(C)COc2ccccc2 Tox21_110467_1 -NCGC00093802-06 196723057 tox21-ror-cho-viability-p1 set3 4 47.307944147 22.7065242841 3.2934757159 26 0.7999999999 0.63339207 0.0746567965 3.58984206 2.8034236 -0.17210357 6.36513524 4.18360893 1.05892185 4.75135093 1.46714304 5.96021999 6.86595242 3.79621489 4.55878829 5.33775957 6.46746799 21.40573439 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53-43-0 5881 170465614 Z Dehydroepiandrosterone O=C4CC[C@@H]3[C@]4(C)CC[C@H]2[C@H]3CC=C1C[C@@H](O)CC[C@@]12C Tox21_111222_1 -NCGC00015580-13 196723077 tox21-ror-cho-viability-p1 set3 4 0.26603212 9.340855752 -3.340855752 6 4.9549173134 0.4591409125 0.2157325994 2.64788417 2.12611279 -3.81709008 3.6094926 -6.8186389 -4.47760821 -9.85252137 -10.28404646 8.20560897 6.98250186 3.77276191 4.91879027 2.15540123 1.25755501 14.05515544 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 34580-13-7 3827 170465378 A Ketotifen CN1CC/C(CC1)=C3\c4ccccc4CC(=O)c2sccc23 Tox21_110176_1 -NCGC00254676-01 196720643 tox21-ror-cho-viability-p1 set3 -1.1 3.7944040605 -90.6808709576 -0.648763549 -91.3296345066 1.8851180601 0.9636282368 0.0000014382 -0.77298295 -1.16969939 1.94350039 -16.16411163 -3.17491445 1.92014975 -0.04329576 0.38947148 -1.01301567 -0.59336342 -56.62495379 -66.632484 -88.86724502 -94.5441351 -86.62520744 1.164E-9 2.602E-9 5.819E-9 1.301E-8 2.909E-8 6.506E-8 1.4549999999E-7 3.253E-7 7.274E-7 0.0000016259999999 0.0000036369999999 0.000008132 0.00001818 0.000040659999999 0.00009092 133-06-2 8606 144211089 A A Captan ClC(Cl)(Cl)SN2C(=O)C1CC=CCC1C2=O Tox21_300772 -NCGC00254059-01 196719825 tox21-ror-cho-viability-p1 set3 4 54.4826732819 -24.843541808 0 -24.843541808 1.6258976909 0.5005907192 0.177827209 -8.18846148 -4.89860474 3.35891086 14.63388832 0.98382569 -0.9515815 -5.03532463 -1.03748908 0.12493205 1.10437968 0.63100263 0.56244562 -5.03461038 -8.83418227 -17.78628484 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 842-07-9 5858445 144210617 A A C.I. Solvent Yellow 14 Oc3ccc1ccccc1c3/N=N/c2ccccc2 Tox21_300297 -NCGC00255032-01 196719827 tox21-ror-cho-viability-p1 set3 -2.4 61.130564862 -37.5859430839 2.5 -35.0859430839 2.6384283767 0.7628917908 0.0158634551 -0.70610379 7.06251616 2.13546488 -4.26202616 8.52025965 0.16557878 8.18572555 4.64206148 -1.95178316 -2.05939798 2.4719113 8.04783246 -2.78596195 -6.2188201 -25.90495257 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148477-71-8 22833506 144211450 C F Spirodiclofen CC(C)(CC)C(=O)OC2=C(C(=O)OC12CCCCC1)c3cc(Cl)cc(Cl)c3 Tox21_301133 -NCGC00095042-06 196727407 tox21-ror-cho-viability-p1 set3 4 3.64956689 1.7472643 1.52324416 0.61395163 -0.99977384 -0.52634515 2.25690833 1.61703122 0.03310019 1.14602795 3.81859995 -0.81444456 0.02290551 6.34962753 1.27609634 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.891E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003852 0.000008614 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00091759-02 196726991 tox21-ror-cho-viability-p1 set3 4 1.44214033 0.84976386 -2.22144243 -1.42675612 -2.10158094 1.56539144 -1.3143781 -9.09669682 0.08057981 -9.85434175 -3.69651538 0.93014378 1.36917657 -0.55300865 -3.84184234 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00256774-01 196726997 tox21-ror-cho-viability-p1 set3 4 0.0043277126 9.2314047879 -8.2314047879 1 0.6 0.4766688832 0.2026190246 -5.60950399 -3.27439907 -4.63796909 0.12815583 -2.90240551 -0.39631021 -0.67100891 0.04574157 3.24740544 0.14513491 4.16238071 -2.88455155 -1.67355434 -0.54179876 4.52048448 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 67715-80-4 101010 144213930 Ac 2-Methyl-4-propyl-1,3-oxathiane CC1OCCC(CCC)S1 Tox21_303625 -NCGC00163843-03 196726998 tox21-ror-cho-viability-p1 set3 4 1.94481991 2.89218673 1.44183084 -9.7003996 -1.57801305 0.21472998 -2.88838118 1.92423227 -0.28629151 0.98574736 1.30772242 2.42300937 2.33111606 1.81140712 -0.3391423 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00256598-01 196727413 tox21-ror-cho-viability-p1 set3 4 0.0061130565 -7.08516888 5 -2.08516888 4.9549173134 0.6239904429 0.0817128371 2.47489789 7.63574689 1.08655643 -2.26384316 -0.78645118 -0.76874829 -0.82584388 -3.09269739 -1.75593777 -2.02264514 1.27686536 -5.9043074 -1.30995756 -3.61791028 -4.68884847 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-33-1 6635 144213059 A A Chlorfenson Clc1ccc(cc1)S(=O)(=O)Oc2ccc(Cl)cc2 Tox21_302742 -NCGC00256889-01 196727414 tox21-ror-cho-viability-p1 set3 4 5.54124889 0.56037751 -1.92691824 -3.81082401 -3.85376283 -3.29293639 0.34064508 -2.49905391 -1.91346728 -0.62283041 -0.74641814 -2.21972163 -1.64955326 -0.39840465 -1.06945586 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5579-78-2 62583 144212779 A A epsilon-Decalactone O=C1CCCCC(CCCC)O1 Tox21_302462 -NCGC00256167-01 196727827 tox21-ror-cho-viability-p1 set3 4 3.22133439 -18.72630858 4.24238512 6.75279061 3.03147839 5.24842785 3.51344516 0.98872912 2.43188311 0.49337199 0.35200992 3.33268695 5.13470387 0.19241115 0.75134162 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 39711-79-0 62907 144212653 A A N-Ethyl-4-menthane-3-carboxamide CC(C)C1CCC(C)CC1C(=O)NCC Tox21_302336 -NCGC00255130-01 196727829 tox21-ror-cho-viability-p1 set3 -3 61.130564862 -57.7210538444 0.2656909709 -57.4553628735 4.0449729863 0.9416482866 0.0000194713 -8.86146626 2.23064125 0.79255483 -0.41030405 2.52390603 0.38549293 -0.99274635 0.64900855 0.19681842 3.89205781 3.78888966 -3.65050281 1.27886398 -9.15488037 -48.45103248 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-06-7 31335 144211976 B 3-Bromo-1-chloro-5,5-dimethylhydantoin CC1(C)C(=O)N(Br)C(=O)N1Cl Tox21_301659 -NCGC00167441-02 196725398 tox21-ror-cho-viability-p1 set3 4 0.0421632496 -7.0721738959 0 -7.0721738959 2.7202212143 0.4666115991 0.2096186394 -0.20000424 -6.06224344 5.63908967 -0.03804078 -1.08574357 -1.31109319 -6.36840653 -8.90129086 -11.72681158 -11.48166633 -7.80977684 -1.30546415 -4.60135099 -5.81587407 -3.97739173 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104632-26-0 119570 170465264 Z Pramipexole hydrochloride CCCN[C@@H]1Cc2sc(N)nc2CC1 Tox21_112445_1 -NCGC00094812-05 196724985 tox21-ror-cho-viability-p1 set3 4 4.29083444 3.90707476 -2.46374222 9.49087234 2.43722823 4.13234082 14.1976361 6.57054931 3.14159057 -3.51008998 9.4004344 10.70005702 10.19320944 8.0392868 10.28919462 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97-44-9 1985 170466503 A Acetarsol Oc1ccc(cc1NC(C)=O)[As](O)(O)=O Tox21_111336_1 -NCGC00163160-04 196725004 tox21-ror-cho-viability-p1 set3 1.4 7.4978038628 24.483956612 1.516043388 26 2.4063783767 0.8137092687 0.0058859527 0 2.43987632 -8.73663051 -0.52372488 0.15807887 3.34968595 2.94248361 10.56639489 5.13858664 3.90477368 -1.80902945 4.81033117 17.67768315 24.18857818 25.28132361 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 101626-70-4 5374 170466015 Z Talipexole C=CCN1CCc2sc(N)nc2CC1 Tox21_112020_1 -NCGC00254197-01 196714605 tox21-ror-cho-viability-p1 set2 4 0.72660289 -4.7992106 -2.28453945 0.18018261 -3.6736108 -3.33318959 1.67261697 0.63726163 0.538085 -2.04085709 1.72493136 -2.65037154 -3.96288527 -2.30626547 -0.23726445 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131-17-9 8560 144210455 A A Diallyl phthalate O=C(OCC=C)c1ccccc1C(=O)OCC=C Tox21_300135 -NCGC00254072-01 196714593 tox21-ror-cho-viability-p1 set2 4 0.50326006 -1.45449213 -2.1614532 0.89585051 -0.17094096 0.02208587 2.12909287 1.38226182 1.30471694 0.65597762 0.7463595 5.48229367 5.09983023 4.30805629 0.92985384 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 532-32-1 517055 144210445 A A Sodium benzoate [Na+].[O-]C(=O)c1ccccc1 Tox21_300125 -NCGC00254254-01 196714598 tox21-ror-cho-viability-p1 set2 4 1.0590929458 4.8538885439 -4.3538885439 0.5 4.9549173134 0.3311657194 0.3397996671 -0.55141126 -2.11129782 -5.13391967 -4.41215541 -9.04490712 -5.83669269 0.8552514 -6.68835018 -5.13698085 -3.95564107 2.2162568 0.9813941 -6.48588711 1.46781684 4.16760969 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 91082-17-6 20478723 144210649 C C10-21 alkanesulfonic acids phenyl esters O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCC Tox21_300331 -NCGC00254029-01 196714600 tox21-ror-cho-viability-p1 set2 4 0.76709731 0.07733682 1.21734778 -0.33957352 -2.13968086 0.62729757 -3.32321511 -7.77134312 -2.68776654 -6.55366961 -3.80064378 -1.87439716 -8.50190284 -2.79574105 6.94917147 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-11-4 31337 144210615 A A 2-(Hydroxymethyl)-2-nitro-1,3-propanediol O=[N+]([O-])C(CO)(CO)CO Tox21_300295 -NCGC00254708-01 196714606 tox21-ror-cho-viability-p1 set2 4 1.89628599 -0.97404443 0.21230687 0.0995319 1.50603318 -0.79185315 1.51351707 2.16590669 1.94998676 3.51687589 2.8226234 5.76361848 5.63191869 2.99319251 3.27498006 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 483-63-6 2883 144211121 A A Crotamiton CCN(C(=O)C=CC)c1ccccc1C Tox21_300804 -NCGC00254144-01 196715018 tox21-ror-cho-viability-p1 set2 4 0.92679077 -1.42868454 -0.95771059 1.40688108 2.25517655 0.13725206 0.76169742 3.06308991 -1.29543948 -0.755425 0.67322618 -0.39557482 1.03216945 0.5174611 3.59410706 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-87-3 7411 144210491 A Bc Benzal chloride ClC(Cl)c1ccccc1 Tox21_300171 -NCGC00254898-01 196715019 tox21-ror-cho-viability-p1 set2 4 -0.77246103 -1.28781156 0.92867705 -0.20398852 -4.22153881 -3.18675466 -7.7048464 -4.12534415 -4.09028541 -3.90951434 -0.90169755 -0.75205687 -1.67057138 -1.83441772 -4.19976445 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 624-48-6 5271565 144211313 A Ac Dimethyl maleate COC(=O)/C=C\C(=O)OC Tox21_300996 -NCGC00258077-01 196715424 tox21-ror-cho-viability-p1 set2 -2.1 49.7452690828 -82.4497684944 2.2743682869 -80.1754002075 1.692447691 0.9843131186 1.16E-8 6.1385897 3.82968663 2.36838469 1.11466803 2.89067108 0.64888069 1.88808828 1.88915517 2.7416749 4.33330584 0.46998033 -5.28331947 -12.59332718 -28.49126356 -61.11772743 1.204E-9 2.693E-9 6.0219999999E-9 1.347E-8 3.011E-8 6.733E-8 1.506E-7 3.367E-7 7.528E-7 0.000001683 0.0000037639999999 0.000008417 0.00001882 0.00004208 0.000094099999999 137-19-9 67299 144207721 A A 4,6-Dichloro-1,3-benzenediol Oc1cc(O)c(Cl)cc1Cl Tox21_200523 -NCGC00257713-01 196715425 tox21-ror-cho-viability-p1 set2 4 2.21921376 0.00274726 1.30738128 2.32909925 5.54633549 4.52591467 2.04006807 2.77762259 4.52484586 -0.62042236 3.57036902 0.91529093 1.69806108 0.52321604 0.28692478 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041229999999 0.00009218 98-83-9 7407 144207357 AC F alpha-Methylstyrene C=C(C)c1ccccc1 Tox21_200159 -NCGC00258006-01 196715835 tox21-ror-cho-viability-p1 set2 4 0.62915994 3.09885605 2.8217748 0.65809567 2.12113577 -0.02646711 -0.28523716 4.08559407 2.31323495 1.63946264 0.57225357 -0.48685847 1.29295115 1.05541809 -0.8497876 1.1689999999E-9 2.6129999999E-9 5.843E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.461E-7 3.2659999999E-7 7.3029999999E-7 0.0000016329999999 0.000003652 0.0000081649999999 0.00001826 0.000040829999999 0.00009129 939-97-9 70324 144207650 A Fns 4-tert-Butylbenzaldehyde CC(C)(C)c1ccc(C=O)cc1 Tox21_200452 -NCGC00022043-06 196713367 tox21-ror-cho-viability-p1 set2 4 0.9060387 2.24304065 -0.34231556 0.07147259 1.02193065 1.44167192 1.14427289 3.71944935 0.54922434 1.52538476 -0.44329475 -1.52848906 -3.9499642 0.83360405 -3.90238725 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56-47-3 5952 170465334 A Deoxycorticosterone acetate CC(=O)OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_110876_1 -NCGC00164620-02 196712946 tox21-ror-cho-viability-p1 set2 1.1 0.9439175816 86.7834897652 -3.459666702 83.3238230632 4.9549173134 0.9885273035 9.1E-9 -3.64239632 -9.13706569 -3.94281877 -3.07848164 -5.16472534 -4.49888627 -3.78925577 -1.41311616 3.14574355 26.05800689 85.39143902 90.76669179 78.91422704 75.44045507 62.41920574 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 124858-35-1 4410 170465882 A Nadifloxacin O=C(O)C3=CN2C(C)CCc1c(c(F)cc(c12)C3=O)N4CCC(O)CC4 Tox21_112239_1 -NCGC00090750-04 196712954 tox21-ror-cho-viability-p1 set2 4 0.11277979 1.52237077 -3.62899572 -3.29183694 1.76849772 -0.2208967 -2.14513307 -3.4504143 -1.95365883 -0.65320439 -1.458541 -1.38728073 -2.03123476 -2.54351081 -5.08620533 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00254202-01 196699343 tox21-ror-cho-viability-p1 set1 4 -0.39417087 0.0643215 0.00688404 2.524268 -3.24020428 1.05402679 -2.43174909 1.40718667 0.10174745 0.92596146 -2.29393811 -3.73009009 2.4038241 1.33102246 -2.20949448 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-73-8 31357 144210427 A A Tributyl phosphate CCCCOP(=O)(OCCCC)OCCCC Tox21_300107 -NCGC00254404-01 196699327 tox21-ror-cho-viability-p1 set1 -1.1 2.3710137656 -98.6079330855 2.8815754445 -95.726357641 0.8999999999 0.9901269193 8E-10 0.59275765 6.59218498 0.09444297 2.54043148 0.96345132 -0.97973564 0.44847335 0.16010068 -15.27501911 -26.57417811 -43.04729457 -51.79828409 -78.66624124 -84.77952485 -85.77630613 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 137-30-4 8722 144210821 A Ziram [Zn+2].S=C([S-])N(C)C.CN(C)C([S-])=S Tox21_300503 -NCGC00254895-01 196699336 tox21-ror-cho-viability-p1 set1 4 30.6378586933 -9.624601084 0.5 -9.124601084 4.9549173134 0.4930201141 0.2030261521 -0.32839206 -1.6820066 -1.28417624 -0.72879828 0.14592703 -1.88082529 1.99236292 0.74019133 1.95314644 -4.10391313 -0.71583188 5.28202164 4.47106717 -10.93716757 4.22770261 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135-77-3 67284 144211310 A Ac 1,2,4-Trimethoxybenzene COc1cc(ccc1OC)OC Tox21_300993 -NCGC00254354-01 196699744 tox21-ror-cho-viability-p1 set1 4 3.12990291 -2.56167696 3.28235631 5.53215894 -0.79909515 4.78474687 5.08582675 4.62622072 2.37023297 0.33092671 -1.47625741 0.53747534 3.29811366 2.4114866 4.68306605 7.456E-10 1.667E-9 3.7279999999E-9 8.336E-9 1.864E-8 4.168E-8 9.32E-8 2.0839999999E-7 4.66E-7 0.000001042 0.00000233 0.00000521 0.00001165 0.00002605 0.00005825 85532-75-8 1345 144210937 A A PK 11195 CC(CC)N(C)C(=O)c2cc1ccccc1c(n2)c3ccccc3Cl Tox21_300620 -NCGC00255086-01 196699746 tox21-ror-cho-viability-p1 set1 4 -1.90137115 -0.82614142 -3.76376326 -2.29766085 -1.88344631 0.7865176 -2.41486812 0.59299414 -1.77454997 -1.36257529 -1.63487658 1.42915568 -2.72276371 -2.63948897 2.13704304 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-87-2 8080 144211505 FNS 3,4-Dihydro-2H-pyran C1=CCCCO1 Tox21_301188 -NCGC00254691-01 196699747 tox21-ror-cho-viability-p1 set1 -1.1 13.6854287769 -97.770101609 2.056313873 -95.713787736 2.3331733767 0.9918316183 3E-10 2.30255308 -0.51510228 0.71283469 -0.95938079 1.9709905 -0.44314499 5.59981447 3.19182457 -0.31793086 2.30980762 0.17032391 -15.64675794 -65.80304529 -93.8370468 -89.06484629 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 155569-91-8 22833503 144211104 B B Emamectin benzoate [O-]C(=O)c1ccccc1.CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1[NH2+]C)O[C@@H]2[C@@H](OC)C[C@@H](O[C@H]2C)O[C@@H]3C(C)=CC[C@@H]6C[C@H](OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OCC(=CC=C[C@@H]3C)[C@@]45O)C[C@@]7(O6)C=C[C@H](C)[C@H](O7)[C@@H](C)CC Tox21_300787 -NCGC00254953-01 196699750 tox21-ror-cho-viability-p1 set1 4 2.04329353 -1.58603701 0.30351428 2.89475318 -0.25960466 1.23455539 -1.36001862 2.48074837 1.43056529 1.43477099 3.08389831 1.7068242 0.64626023 -0.57638547 1.80037188 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33189-72-9 5367650 144211368 A Fc (E)-11-Tetradecen-1-ol acetate CC(=O)OCCCCCCCCCC\C=C\CC Tox21_301051 -NCGC00255092-01 196699753 tox21-ror-cho-viability-p1 set1 4 68.5896218971 15.2396378879 -1.2396378879 14 4.5044702849 0.7966180145 0.0087229323 1.993454 -3.94969824 -2.45947906 -2.08970368 -1.84690697 -2.44531614 -2.34607101 -0.43065967 -0.13486699 -0.10538628 -0.09621047 -0.9805968 1.03451428 -0.03069951 10.63385881 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-64-5 7945 144211511 FNS Ethyl isovalerate CC(C)CC(=O)OCC Tox21_301194 -NCGC00255073-01 196699759 tox21-ror-cho-viability-p1 set1 4 -4.11765592 -4.29548418 -3.25519163 -5.54612175 -4.2948607 -3.02930372 1.06392609 -4.3677132 -3.050289 -2.1159844 -4.03487664 -3.60829133 -3.35654811 -3.80304869 3.12594112 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2579-20-6 17406 144211492 A F 1,3-Cyclohexanedimethanamine NCC1CCCC(CN)C1 Tox21_301175 -NCGC00091650-03 196723840 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -32.159520232 5 -27.159520232 4.9549173134 0.6434530636 0.0679649079 -0.73362846 2.90977238 4.31821941 4.39913161 4.14865784 3.04776638 1.73455056 2.19022467 -2.93116621 5.20217575 16.93898867 13.18509441 7.66224506 2.33664382 -20.96626686 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00178830-05 196723440 tox21-ror-cho-viability-p1 set3 4 -3.87574767 5.32928274 5.38791085 5.98758737 2.97515863 2.91775209 -1.14304601 5.53571339 -6.34711539 11.17324825 6.44959801 4.59764558 2.76593018 8.85314511 -9.05704121 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87-33-2 6883 170464980 F Isosorbide dinitrate [O-][N+](=O)O[C@H]1CO[C@@H]2[C@H](O[N+]([O-])=O)CO[C@H]12 Tox21_111317_1 -NCGC00179680-05 196723444 tox21-ror-cho-viability-p1 set3 4 37.5780357627 10.980097312 0.019902688 11 4.9549173134 0.465131549 0.2127628647 0.91295285 -1.03762136 -0.53113687 -0.96774847 -1.02929587 -2.00360374 -0.29696525 1.2972866 -2.19992638 4.81143445 5.30690054 -3.31674776 -0.38804594 -0.83712139 8.6198528 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4205-90-7 2803 170464900 A Clonidine Clc2cccc(Cl)c2\N=C1/NCCN1 Tox21_110118_1 -NCGC00357243-01 196724266 tox21-ror-cho-viability-p1 set3 4 0.0017228934 12.139618224 -9.639618224 2.5 0.5 0.4363114308 0.2398936014 -6.36634852 0.24626469 -2.29161286 -1.82956005 2.77786392 0.24253543 -0.26568395 2.24951658 0.26281456 1.99926791 -0.64497246 8.76818651 3.44733401 0.27811882 1.69346415 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1885-29-6 72913 251919881 A 2-Aminobenzonitrile N#Cc1ccccc1N Tox21_304036 -NCGC00260333-01 196724268 tox21-ror-cho-viability-p1 set3 2.1 43.8940033243 133.2836892801 0.1496627775 133.4333520576 2.2526478767 0.9618272709 0.0000018855 -7.73019572 3.13319564 2.80001946 -0.93663399 8.630294 4.38894789 -0.70863525 -1.20823341 0.35658161 1.98930488 4.02353202 4.69098875 0.25381979 72.35393644 110.0935248 1.194E-9 2.6689999999E-9 5.968E-9 1.3339999999E-8 2.9839999999E-8 6.672E-8 1.4919999999E-7 3.3359999999E-7 7.4599999999E-7 0.000001668 0.00000373 0.00000834 0.00001865 0.0000417 0.000093249999999 14698-29-4 4628 144209985 A A Oxolinic acid O=C(O)C2=CN(CC)c1cc3OCOc3cc1C2=O Tox21_202787 -NCGC00357158-01 196724676 tox21-ror-cho-viability-p1 set3 4 0.5448267328 -5.641219244 3.5 -2.141219244 4.9549173134 0.3816225118 0.3068431123 -4.61424092 0.1779906 3.12241911 3.73093845 7.43765224 4.92625202 9.12001952 5.65504008 -3.22808752 1.86525754 -5.07278134 -1.23693838 0.44015328 -5.53434937 3.43516274 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2114-11-6 16454 251919885 A Allyl carbamate NC(=O)OCC=C Tox21_303906 -NCGC00091483-03 196724678 tox21-ror-cho-viability-p1 set3 4 -7.44843911 -4.84196505 -7.43122568 -3.10646166 -4.24899583 -9.13685737 3.85401079 0.45237508 2.33961965 0.40534527 -2.79479538 -1.72194439 -12.35937589 -14.10675821 -9.77238464 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00357264-01 196724685 tox21-ror-cho-viability-p1 set3 -2.2 61.130564862 -70.616540276 -3.926181782 -74.542722058 2.7202212143 0.9000233789 0.0003214416 -5.70085006 -7.97860063 -9.30153979 -6.14836884 3.37747537 -6.92981399 6.27490717 1.80551973 -6.6233766 -3.12116414 -3.74084161 -6.93247976 -12.15537712 -18.74807263 -57.98691065 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 301-00-8 5319706 251919764 Fns Methyl linolenate O=C(CCCCCCC/C=C\C/C=C\C/C=C\CC)OC Tox21_303764 -NCGC00183019-01 196725098 tox21-ror-cho-viability-p1 set3 4 2.1787557 0.24402858 -1.12495467 -1.43919631 0.04546646 -1.37183837 1.48977024 -0.90266262 -0.34269904 14.1218323 -0.8363614 1.8320283 3.66406338 2.74566023 -1.1092736 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97683-31-3 23663963 144206815 F A Egualen sodium [Na+].CC(C)c1cccc2c(cc(c2c1)S([O-])(=O)=O)CC Tox21_113264 -NCGC00090910-03 196725109 tox21-ror-cho-viability-p1 set3 4 -8.26655907 0 2.99709802 1.4145871 -1.43559119 0.06679975 2.57389871 1.26562081 -6.36804964 -4.7790369 -7.68377025 0.84573282 -1.72220513 0.2176044 -5.40528729 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00254613-01 196719952 tox21-ror-cho-viability-p1 set3 4 -2.10780724 -6.27994866 3.52641932 -8.18036511 0.46040688 2.45103172 -3.80826963 2.45316629 -6.51360177 3.06979058 -4.31782736 4.24281941 3.86102655 -1.74158282 1.33400923 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87674-68-8 91744 144211022 A A Dimethenamid Cc1csc(C)c1N(C(C)COC)C(=O)CCl Tox21_300705 -NCGC00254817-01 196719941 tox21-ror-cho-viability-p1 set3 4 2.29760787 10.09394471 9.19782326 18.12936507 8.08019708 7.47372931 4.92021328 4.48543338 3.48928854 2.81825101 15.32321182 9.0717561 6.027045 6.77886011 1.757473 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10287-53-3 25127 144211230 A A Parbenate CN(C)c1ccc(cc1)C(=O)OCC Tox21_300913 -NCGC00254512-01 196719946 tox21-ror-cho-viability-p1 set3 4 5.94323011 14.92487616 7.73159441 0.97965969 5.1361507 -5.62961277 -1.05015354 -4.01529682 4.10793343 -2.99567765 10.95827199 7.61242609 1.64181191 0.24941029 -0.67770787 1.1139999999E-9 2.49E-9 5.568E-9 1.2449999999E-8 2.784E-8 6.226E-8 1.3919999999E-7 3.113E-7 6.9599999999E-7 0.000001556 0.0000034799999999 0.000007782 0.0000174 0.000038909999999 0.000087 54-62-6 169371 144210944 D 4-Aminofolic acid O=C(O)[C@H](CCC(=O)O)NC(=O)c1ccc(cc1)NCc2nc3c(nc2)nc(N)nc3N Tox21_300627 -NCGC00254497-01 196719950 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -127.8011556401 3.9278053332 -123.8733503069 4.9549173134 0.9539809057 0.0000053253 8.34431567 -1.6059706 1.05268649 1.19262603 6.77619657 3.12011014 -2.98642693 -1.39047614 -2.80133407 -2.89849471 11.51296862 8.71432597 8.89296434 5.77246156 -100.7100409 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 361343-19-3 6914152 144210759 I I Elzasonan CN1CCN(CC1)c4ccccc4/C=C3\SCCN(c2cc(Cl)c(Cl)cc2)C3=O Tox21_300441 -NCGC00255004-01 196719962 tox21-ror-cho-viability-p1 set3 4 5.31103101 1.26385861 -0.66872392 2.90951112 4.12158649 -2.2279831 8.1390625 5.13211861 2.80298805 0.50206506 0.22067018 1.76320856 6.38590343 1.87097353 1.47738164 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 11099-07-3 24699 144211421 A F Glyceryl stearates OCC(O)COC(=O)CCCCCCCCCCCCCCCCC Tox21_301104 -NCGC00254068-01 196720356 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -13.280968408 0 -13.280968408 4.9549173134 0.3686144467 0.3033096918 1.65681131 -1.70361244 5.09574806 1.93353136 -7.13583907 1.39479771 1.62527575 0.11111729 -7.68285268 0.59806863 0.62665403 -0.31636908 3.86472066 0.51884653 -10.23414034 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-00-6 8456 144210402 A A 2-tert-Butyl-4-methoxyphenol CC(C)(C)c1cc(ccc1O)OC Tox21_300082 -NCGC00254180-01 196720367 tox21-ror-cho-viability-p1 set3 4 5.34643042 2.17433143 6.71146984 4.14155253 2.95818725 12.0132058 -0.40716607 11.7246014 8.29411495 0.40262045 -6.34211716 0.18109794 -5.05116555 10.78605652 -0.22587183 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51-52-5 657298 144210600 A A 6-Propyl-2-thiouracil S=C1NC(CCC)=CC(=O)N1 Tox21_300280 -NCGC00254795-01 196719566 tox21-ror-cho-viability-p1 set3 4 -77.85316188 -5.74204997 5.55093737 5.11404029 -1.40862914 3.02031698 3.00393368 8.039864 4.80373785 -2.92120255 16.98576005 2.85814064 -7.97879321 10.47390255 4.00309666 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-37-7 7650 144211208 A Ac Benzyl butyrate CCCC(=O)OCc1ccccc1 Tox21_300891 -NCGC00257327-01 196719117 tox21-ror-cho-viability-p1 set2 4 0.34723566 -4.11706571 0.69601313 -0.73790233 0.28700576 -10.87692988 -3.51905236 -0.77043363 -0.89493927 -5.25498096 -2.4150765 -0.28526749 -3.33665907 -1.74392851 2.64397621 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27247-96-7 62823 144213694 A Ac 2-Ethylhexyl nitrate O=[N+]([O-])OCC(CCCC)CC Tox21_303382 -NCGC00254219-01 196719554 tox21-ror-cho-viability-p1 set3 4 4.41059207 4.67666197 3.58980952 5.84444032 -1.37826754 -1.28062997 10.35470447 20.89388168 -1.5541463 7.0254149 1.18078086 15.63176468 -3.5640472 -7.48634769 7.7939407 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-91-5 8496 144210426 A A 1,3-Benzenedicarboxylic acid OC(=O)c1cccc(c1)C(=O)O Tox21_300106 -NCGC00254830-01 196719560 tox21-ror-cho-viability-p1 set3 1.4 0.0343762429 14.404949504 2.095050496 16.5 1.331 0.7292429819 0.0333965181 6.47554573 -1.58745792 3.05802613 3.3495176 14.26981564 7.31855804 13.52503967 18.10352738 20.6825132 15.67423184 19.39783081 13.40268785 17.6144902 11.53925554 1.59759466 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-27-8 61008 144211245 A A 1-(4-Methoxyphenyl)-1-pentene-3-one COc1ccc(C=CC(=O)CC)cc1 Tox21_300928 -NCGC00254265-01 196719966 tox21-ror-cho-viability-p1 set3 -2.2 34.3762428541 -33.4394818256 -4.715171404 -38.1546532296 1.9673362061 0.765304843 0.0152282345 -12.18865121 -16.30754596 -9.36589094 -5.06515092 -6.77079951 -8.90254984 -5.98202017 -0.59597617 -1.57108831 -2.6087388 -0.75491486 -9.12580148 -12.93151609 -24.4170489 -35.32838262 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144210645 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_300327 -NCGC00254885-01 196719984 tox21-ror-cho-viability-p1 set3 -2.2 24.3365162115 -73.5806568461 -3.824319981 -77.4049768271 0.7 0.8597269673 0.0016499215 -0.90175311 -6.07528082 -5.46113831 -9.70970257 4.60306585 1.54225765 -11.01599577 -7.5631414 -10.27688913 -22.98042207 -25.27952473 -18.90050578 -24.32630635 -58.64013396 -55.0800949 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 587-65-5 11485 144211300 A B 2-Chloro-N-phenylacetamide O=C(Nc1ccccc1)CCl Tox21_300983 -NCGC00159336-03 196725414 tox21-ror-cho-viability-p1 set3 1.1 0.7497803863 57.8972497999 -0.1506780919 57.746571708 1.0999999999 0.9904644982 6E-10 0.17563079 -1.25978222 1.84905424 0.9092133 -1.9751736 0.37255373 4.57963746 8.17737345 20.24418495 27.26410301 46.11371149 49.5141823 51.01290681 53.5987902 60.82952412 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68373-14-8 130313 170465248 A Sulbactam O=S2(=O)C(C)(C)[C@@H](N1C(=O)C[C@H]12)C(=O)O Tox21_113642_1 -NCGC00013058-02 196725421 tox21-ror-cho-viability-p1 set3 -1.1 10.5909294584 -102.0674716502 0.5793287968 -101.4881428534 3.9294729863 0.97932015 5.76E-8 -2.87528628 -1.04910894 -3.15340832 -2.55675955 14.58018765 8.26141301 4.22454382 0.15318022 -2.47116325 -3.29900457 -4.95294323 -0.54572937 -37.49702752 -94.59180577 -101.28557171 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2437-29-8 2724411 170465712 A Malachite green oxalate C/[N+](C)=C1\C=C/C(C=C1)=C(/c2ccccc2)c3ccc(cc3)N(C)C.[O-]C(=O)C(=O)O.[O-]C(=O)C(=O)O.O=C(O)C(=O)O.CN(C)c1ccc(cc1)C(\c2ccccc2)=C3/C=C/C(C=C3)=[N+](/C)C Tox21_110008_1 -NCGC00016640-06 196725815 tox21-ror-cho-viability-p1 set3 4 0.2371013766 12.919553856 -4.419553856 8.5 4.9549173134 0.3589187591 0.3266188042 -5.05966628 -4.48913082 9.17533915 -4.79397271 -6.71414542 -4.72366515 -10.76629488 -9.4543843 19.41625218 15.61128062 -5.17136788 -2.82951636 20.56129342 3.60875282 -9.74240929 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3778-76-5 19604 170465782 A Todralazine hydrochloride Cl.O=C(OCC)NNc2nncc1ccccc12 Tox21_113562_1 -NCGC00162319-05 196725836 tox21-ror-cho-viability-p1 set3 4 13.63571086 10.87515569 2.37035512 0 14.3498242 13.44217105 12.1883101 10.6971095 -7.44761916 2.47350225 7.22759463 10.14759135 12.10565843 13.94933293 14.57262425 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97466-90-5 57242 170466296 I Quinelorane Nc1ncc2C[C@H]3N(CCC[C@@H]3Cc2n1)CCC Tox21_112009_1 -NCGC00261974-01 196726229 tox21-ror-cho-viability-p1 set3 2.2 13.3331902297 44.7222448349 2.721330372 47.4435752069 1.21 0.9491371023 0.0000092437 2.01898759 2.31609603 -1.04817911 6.85546772 1.11186072 5.32899948 2.66234979 3.36526144 0.79485301 5.74090057 10.79697476 6.1215235 22.09914276 30.52512227 39.16036785 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15351-09-4 71872 170466582 A F Metamfepramone O=C(C(C)N(C)C)c1ccccc1 Tox21_113894 -NCGC00016101-10 196726232 tox21-ror-cho-viability-p1 set3 4 -5.92474914 -5.79616528 -6.73028876 -6.2400422 -2.24676326 -5.64846275 0.22430003 -6.32465056 -1.6727874 -3.02935023 0.49857349 -0.60942512 1.79086559 1.27781831 -3.41841166 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1218-35-5 5282386 170465470 A Xylometazoline hydrochloride Cl.CC(C)(C)c2cc(C)c(CC1=NCCN1)c(C)c2 Tox21_110305_1 -NCGC00092310-06 196726236 tox21-ror-cho-viability-p1 set3 4 0.0016785492 8.680513692 -4.180513692 4.5 0.5 0.3991827493 0.2768349638 -2.23376141 1.27296555 1.99291068 0.3098197 2.4836856 1.88432153 5.32442671 1.12453584 0.76912861 6.59414555 5.17518309 9.30046865 3.63718456 2.92986583 2.18554745 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71675-85-9 2159 170466480 A Amisulpride CCN2CCCC2CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC Tox21_113392_1 -NCGC00164265-02 196712597 tox21-ror-cho-viability-p1 set2 4 8.4126743008 -11.942864544 4 -7.942864544 0.7999999999 0.8138588447 0.0086526693 4.78836935 4.77907883 3.36677151 5.08305368 4.40665363 3.47131253 4.24074297 0.64196709 4.62257694 0.37471892 2.12435306 0.43118333 -1.3260831 -4.95238712 3.00704463 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23696-28-8 71905 170466545 A Olaquindox OCCNC(=O)c2c(C)[n+]([O-])c1ccccc1[n+]2[O-] Tox21_112095_1 -NCGC00094646-04 196712587 tox21-ror-cho-viability-p1 set2 4 2.94294113 1.81845218 4.1028834 3.510499 -0.02458497 5.24597985 2.15843148 0.04744616 -0.08666513 -0.57200078 -0.91468195 -3.38983112 -2.90240537 -1.7520665 -2.2167101 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 132-65-0 3023 170465511 F Dibenzothiophene c1cccc2sc3ccccc3c12 Tox21_111308_1 -NCGC00016000-18 196712592 tox21-ror-cho-viability-p1 set2 -2.4 0.3757803576 -24.145531272 0 -24.145531272 1.92824246 0.9765675402 4.131E-7 -0.65807213 0.78356516 -0.61549765 -0.21085026 0.51748848 1.88490611 -0.02595173 -6.12977683 -10.24180449 -19.49416316 -26.37127606 -25.53477807 -20.69646954 -24.36217665 -8.96302421 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97-77-8 3117 170464767 A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_110280_1 -NCGC00091586-02 196712594 tox21-ror-cho-viability-p1 set2 4 64.9095650958 -16.039115608 -0.5 -16.539115608 4.9549173134 0.6484434654 0.0656141848 -0.03911146 3.40319285 0.08548 1.01833384 0.98701703 -0.69067015 -0.36230457 -0.95616157 -1.20364536 0.22913834 -6.82096162 -0.56738217 -5.35576391 -1.39393242 -13.78259634 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00249903-01 196712605 tox21-ror-cho-viability-p1 set2 4 0.0007497804 -14.2956007921 15 0.7043992079 4.9549173134 0.8045408119 0.0074103134 11.92296621 -0.29371114 1.90782424 -1.72182679 -0.51080429 1.39596939 1.01181445 1.30174154 2.53665734 2.46811419 0.73605912 -1.91300066 1.82203144 0.11096877 1.11841806 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2265-64-7 16752 170466851 A A Dexamethasone isonicotinate O=C1C=C2CC[C@@H]5[C@@](F)([C@@]2(C)C=C1)[C@@H](O)C[C@@]4(C)[C@H]5C[C@@H](C)[C@]4(O)C(=O)COC(=O)c3ccncc3 Tox21_113679 -NCGC00164525-02 196704211 tox21-ror-cho-viability-p1 set1 4 2.46497513 2.51573296 0.52627632 2.30710995 0.61393063 0.18428602 1.06259225 3.08618248 1.73388635 1.85705385 0.33033312 4.5466372 3.18830215 4.57771399 5.62033183 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 140608-64-6 170465762 F Muromonab-CD3 Tox21_112156_1 -NCGC00260491-01 196703804 tox21-ror-cho-viability-p1 set1 -2.4 54.371879846 -31.57591952 1.5 -30.07591952 2.4729283767 0.9185143034 0.0001142543 0.55417994 1.73370925 7.51399014 3.62326232 2.46750274 -0.55981575 -0.73656146 0.32526682 0.80642141 0.48796824 1.40502825 3.04101236 -0.85871136 -9.13452725 -23.3965996 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.365E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.00004117 0.00009206 77-53-2 65575 144210143 A A (+)-Cedrol C[C@@H]3CC[C@@H]1[C@]23C[C@H](C1(C)C)[C@](C)(O)CC2 Tox21_202945 -NCGC00260519-01 196703811 tox21-ror-cho-viability-p1 set1 4 9.8661606257 -10.947190608 1 -9.947190608 3.0654483358 0.5945532306 0.1011035265 1.93902768 -1.56884089 4.15135701 -1.64340611 1.47605495 0.25110351 5.61317887 -0.28574298 -0.2157322 3.46470542 -1.37280633 -0.87351297 -13.9820934 -1.366229 -14.12265884 1.198E-9 2.6779999999E-9 5.988E-9 1.339E-8 2.994E-8 6.6949999999E-8 1.497E-7 3.347E-7 7.485E-7 0.0000016739999999 0.000003742 0.000008368 0.00001871 0.00004184 0.000093559999999 1455-77-2 15078 144210171 F Guanazole Nc1nnc(N)n1 Tox21_202973 -NCGC00356956-01 196703817 tox21-ror-cho-viability-p1 set1 4 -1.12820157 -0.09132796 -0.39793793 -2.49672118 -2.2179094 0.09165262 -1.2264302 0.3057491 -0.20963857 -2.00323425 -2.08155865 -0.63828332 0.77095137 0.79547689 3.47349197 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110553-27-0 113646 251919784 A 2-Methyl-4,6-bis[(octylthio)methyl]phenol Oc1c(C)cc(cc1CSCCCCCCCC)CSCCCCCCCC Tox21_304010 -NCGC00253597-01 196704221 tox21-ror-cho-viability-p1 set1 -2.2 13.3331902297 -69.6631536151 -2.1216355289 -71.784789144 0.9999999999 0.9682415393 6.704E-7 -0.03802311 -2.54168635 0.32380065 -6.9640801 1.39569767 -3.26658794 0.1180288 -0.53908528 -6.20833361 -8.08254162 -16.71573887 -13.9064384 -31.09709972 -42.45950013 -59.82065762 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68238-36-8 50108 170464639 A F Isosulfan blue [Na+].CC/[N+](CC)=C1\C=C/C(C=C1)=C(/c2ccc(cc2)N(CC)CC)c3cc(ccc3S([O-])(=O)=O)S([O-])(=O)=O Tox21_113733 -NCGC00167744-02 196704224 tox21-ror-cho-viability-p1 set1 4 1.94183097 0.03044749 0.94982638 1.71630532 1.26447776 0.35987198 0.87383978 6.89883534 5.01321194 2.19435599 6.4603094 3.5255564 4.9281646 4.6987097 6.40385246 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3575-80-2 15387 170466288 A Methylperone Fc1ccc(cc1)C(=O)CCCN2CCC(C)CC2 Tox21_112583_1 -NCGC00253758-01 196704229 tox21-ror-cho-viability-p1 set1 4 0.25195771 0.72667146 -1.50823276 1.96456008 0.82127269 -1.38696006 2.86872892 -1.54282074 3.32640077 -0.3327751 1.34506529 1.76702249 0.40270495 2.27323209 -0.92621744 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63610-08-2 107641 170466270 A A Indobufen O=C(O)C(CC)c1ccc(cc1)N2Cc3ccccc3C2=O Tox21_113871 -NCGC00258549-01 196702591 tox21-ror-cho-viability-p1 set1 4 19.4688752718 7.53531336 -3.53531336 4 3.6272481694 0.426787044 0.2478037572 -6.10228481 -1.0475468 -0.85837879 -4.96510569 -6.18776533 -8.7794278 2.44261952 -0.47405044 -0.43248884 -3.39734307 -7.65382743 -2.47621211 0.12273655 3.9089062 3.92320776 1.187E-9 2.6549999999E-9 5.937E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 4316-74-9 23684896 144208194 A A Sodium 2-(methylamino)ethanesulfonate [Na+].[O-]S(=O)(=O)CCNC Tox21_200996 -NCGC00258037-01 196702171 tox21-ror-cho-viability-p1 set1 4 0.48647459 -0.02571593 -5.48943814 3.57366477 -0.05307138 3.12156544 0.3995531 0.04237062 0.10908927 -4.1135504 -2.40465274 -0.0304672 -7.41959184 0.50082311 2.11264248 1.206E-9 2.697E-9 6.0309999999E-9 1.349E-8 3.016E-8 6.743E-8 1.5079999999E-7 3.371E-7 7.539E-7 0.0000016859999999 0.000003769 0.000008429 0.00001885 0.00004214 0.000094239999999 7664-93-9 1118 144207681 Sulfuric acid O=S(=O)(O)O Tox21_200483 -NCGC00258026-01 196702573 tox21-ror-cho-viability-p1 set1 4 4.48841381 0.59408543 0.92988584 9.50310124 -1.08928145 0.62198652 4.04113356 4.73517109 2.66944151 3.50885057 2.18186655 1.31124374 6.67097879 2.87408665 0.12322723 1.1699999999E-9 2.615E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.538E-8 1.462E-7 3.269E-7 7.309E-7 0.0000016339999999 0.0000036549999999 0.000008172 0.00001827 0.00004086 0.00009137 622-96-8 12160 144207670 FNS 4-Ethyltoluene Cc1ccc(CC)cc1 Tox21_200472 -NCGC00258425-01 196702577 tox21-ror-cho-viability-p1 set1 4 20.2191691915 6.780230224 -1.780230224 5 4.9549173134 0.4146027833 0.2600238244 0.02284329 2.2543769 1.12046476 1.38552422 0.88565999 -3.33618204 -5.50669291 -2.75923614 -6.06685852 0.93318569 -3.15151932 -5.57691147 1.20752218 3.66806256 6.0182518 1.2249999999E-9 2.7399999999E-9 6.1269999999E-9 1.37E-8 3.063E-8 6.85E-8 1.532E-7 3.425E-7 7.658E-7 0.0000017119999999 0.000003829 0.0000085619999999 0.000019149999999 0.00004281 0.000095729999999 930-22-3 13586 144208069 FNS 1,2-Epoxy-3-butene C=CC1CO1 Tox21_200871 -NCGC00260225-01 196702986 tox21-ror-cho-viability-p1 set1 4 -3.74138809 -3.61367392 -2.27682696 -8.63371485 -11.8032845 -2.11350143 -6.54779382 -5.02053248 -1.50831341 -8.78809357 -2.12335725 -9.67980602 -9.89517692 -8.66886545 -7.03176472 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 NOCAS_49388 60196390 144209875 A A 1-Butyl-2-methylpyridinium trifluoromethanesulfonate Cc1cccc[n+]1CCCC.FC(F)(F)S([O-])(=O)=O Tox21_202677 -NCGC00357174-01 196702994 tox21-ror-cho-viability-p1 set1 4 1.02161714 3.71112518 4.4023556 1.89124698 0.80635602 -0.55305408 6.61268796 -0.51578524 -0.35256643 -0.52428323 4.65188218 3.5200866 1.47271456 3.78156018 3.50946406 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21679-31-2 91759531 251919886 F Chromium(III) acetylacetonate C\C(=[O+]\[Cr](\[O+]=C(\C)[CH-]C(C)=O)\[O+]=C(\C)[CH-]C(C)=O)[CH-]C(C)=O Tox21_303935 -NCGC00260321-01 196712277 tox21-ror-cho-viability-p1 set2 4 -0.09428997 -0.55829554 -3.89024607 -0.79647423 -3.54053623 -0.76042342 -0.55731974 -2.91602591 -6.64205789 -9.65821096 4.96488027 8.662885 -9.31706036 4.23314627 -5.6625056 5.81E-11 1.299E-10 2.905E-10 6.4959999999E-10 1.453E-9 3.248E-9 7.263E-9 1.624E-8 3.631E-8 8.1199999999E-8 1.816E-7 4.06E-7 9.078E-7 0.0000020299999999 0.0000045389999999 299-27-4 16760467 144209972 Fns Potassium D-gluconate [K+].O[C@H]([C@@H](O)C([O-])=O)[C@H](O)[C@H](O)CO Tox21_202774 -NCGC00260311-01 196711863 tox21-ror-cho-viability-p1 set2 4 54.8707457568 -30.1584490879 2.5 -27.6584490879 1.692447691 0.7652018147 0.0152961942 -0.65920253 -0.97943442 0.25350826 0.07758107 -0.63727637 0.17176044 7.31457089 7.09437495 9.37994889 4.79228354 0.29816485 0.912481 -3.65422218 -7.2078107 -19.71537424 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.635E-8 1.484E-7 3.317E-7 7.4179999999E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.000041469999999 0.000092719999999 68937-41-7 75628 144209962 F F Triisopropylated phenyl phosphate CC(C)c1ccc(cc1)OP(=O)(Oc2ccc(cc2)C(C)C)Oc3ccc(cc3)C(C)C Tox21_202764 -NCGC00260129-01 196712274 tox21-ror-cho-viability-p1 set2 4 0.0069008347 8 1 9 1.34431 0.4981768187 0.1820940557 0.64832812 4.16557021 4.94386643 4.60700294 8.48921545 11.74683072 9.07498626 9.36153453 9.49926924 7.2414556 5.38408298 4.72701355 7.5467755 14.30106339 9.25944902 1.1859999999E-9 2.6519999999E-9 5.9309999999E-9 1.326E-8 2.9649999999E-8 6.6309999999E-8 1.4829999999E-7 3.315E-7 7.4129999999E-7 0.0000016579999999 0.000003707 0.000008288 0.00001853 0.000041439999999 0.000092669999999 7720-78-7 24393 144209778 Iron(II) sulfate [Fe+2].[O-]S([O-])(=O)=O Tox21_202580 -NCGC00260104-01 196712275 tox21-ror-cho-viability-p1 set2 4 26.3274524342 -17.872013172 -1.5 -19.372013172 3.5117481694 0.7153648131 0.0317828446 -2.72724584 -0.36332551 -2.88473482 -0.22962947 -0.46910768 -0.21799962 0.82698298 -2.19879604 -0.33061416 0.10094398 -10.01328706 -0.00134729 0.75335446 -6.71285191 -17.39334431 5.848E-10 1.3079999999E-9 2.924E-9 6.538E-9 1.4619999999E-8 3.269E-8 7.31E-8 1.635E-7 3.655E-7 8.173E-7 0.0000018269999999 0.000004086 0.000009137 0.00002043 0.00004569 112-02-7 8154 144209753 A A Hexadecyl trimethyl ammonium chloride [Cl-].C[N+](C)(C)CCCCCCCCCCCCCCCC Tox21_202555 -NCGC00357034-01 196712283 tox21-ror-cho-viability-p1 set2 -2.1 3.6610842836 -72.0316054208 -9.36244041 -81.3940458308 4.5044702849 0.9332147051 0.0001858423 -7.54004431 -11.85676216 -8.0554882 -8.05928856 -4.04980879 -13.87589254 -3.74587931 -10.44147983 -7.41375711 -18.61970303 -8.24141809 -14.0596747 -62.41973169 -7.10063014 -15.95436217 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 1939-36-2 80296 251919701 A Trimethylenediaminetetraacetic acid O=C(O)CN(CCCN(CC(=O)O)CC(=O)O)CC(=O)O Tox21_303722 -NCGC00258812-01 196708968 tox21-ror-cho-viability-p1 set2 -3 70.2670602469 -40.98479854 1 -39.98479854 4.9549173134 0.9557926826 0.000004286 5.08681207 5.21134712 0.05047115 0.12813805 1.12292764 1.25785313 -0.78818782 -0.35267367 -0.13161562 0.54483669 -0.81384998 0.50166755 1.08693913 -1.15788424 -32.07066545 1.204E-9 2.693E-9 6.021E-9 1.346E-8 3.011E-8 6.732E-8 1.5049999999E-7 3.366E-7 7.527E-7 0.000001683 0.000003763 0.0000084149999999 0.00001882 0.00004208 0.00009408 72-55-9 3035 144208458 A A p,p'-DDE Clc1ccc(cc1)\C(=C(/Cl)Cl)c2ccc(Cl)cc2 Tox21_201260 -NCGC00259918-01 196708557 tox21-ror-cho-viability-p1 set2 4 2.69746152 0.99773787 4.15232318 4.2780818 4.51099595 3.55432517 4.32334647 3.09272808 3.99755605 3.46613627 3.63527347 2.89068649 4.84909544 2.67331135 -0.15844009 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004125 0.00009223 1571-08-0 15294 144209567 A A Methyl 4-formylbenzoate COC(=O)c1ccc(cc1)C=O Tox21_202369 -NCGC00259365-01 196708558 tox21-ror-cho-viability-p1 set2 4 0.62145465 0.19836172 2.54324754 2.97188772 0.4652012 -3.03989969 -0.70958607 0.06624817 0.26425682 -1.79752395 -0.65119491 0.68664113 2.25231344 2.00714458 0.00710408 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.33E-7 7.446E-7 0.000001665 0.0000037229999999 0.000008324 0.00001861 0.00004162 0.000093069999999 1083-57-4 14130 144209014 A A 3-Hydroxy-4-butyrophenetidide CCOc1ccc(cc1)NC(=O)CC(C)O Tox21_201816 -NCGC00259974-01 196708966 tox21-ror-cho-viability-p1 set2 4 -2.32591226 -1.14042041 -3.2765599 -0.96157305 0.89134122 -2.88718894 0.58438176 -1.72116674 0.14713221 0.66664313 0.08035199 -0.89485469 -2.33758122 0.49708463 0.8052395 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.00001889 0.00004225 0.00009447 119-61-9 3102 144209623 A A Benzophenone O=C(c1ccccc1)c2ccccc2 Tox21_202425 -NCGC00258946-01 196708972 tox21-ror-cho-viability-p1 set2 4 -0.29907345 1.41552173 -1.72208115 3.04526244 3.33173741 1.96600641 4.10562096 -0.37850103 1.1019555 2.94201796 3.69329353 -1.23587074 3.94309317 1.58494733 -1.22442647 1.146E-9 2.563E-9 5.7309999999E-9 1.281E-8 2.865E-8 6.407E-8 1.433E-7 3.203E-7 7.163E-7 0.000001602 0.0000035819999999 0.000008009 0.00001791 0.000040039999999 0.00008954 72178-02-0 51556 144208593 A A Fomesafen Clc2cc(ccc2Oc1cc(C(=O)NS(C)(=O)=O)c(cc1)[N+]([O-])=O)C(F)(F)F Tox21_201395 -NCGC00259155-01 196708975 tox21-ror-cho-viability-p1 set2 4 -2.25711004 -4.88765838 -0.35222475 -2.36311561 -2.38618616 -0.32559383 -0.40789737 -3.06114399 -1.92851069 -1.61828008 -0.47965952 -2.91111495 -2.82108216 -2.19567183 -0.91389915 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003667 0.000008201 0.00001834 0.000041 0.00009169 100-97-0 4101 144208804 B A Methenamine C1N3CN2CN(CN1C2)C3 Tox21_201606 -NCGC00259325-01 196708977 tox21-ror-cho-viability-p1 set2 4 2.4336516212 13.614431316 -3.114431316 10.5 0.3 0.6976063577 0.0397714799 -0.1551209 -2.98486673 -0.16353934 -5.09535943 0.72576395 0.93811976 4.46567596 0.65146672 3.58895265 0.55264315 2.9990653 5.09213563 8.0096676 5.66411197 6.72808611 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 3709-43-1 19458 144208974 A A Disodium 4,4'-dinitro-2,2'-stilbenedisulfonate [Na+].[Na+].O=S([O-])(=O)c2cc(ccc2C=Cc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)[N+]([O-])=O Tox21_201776 -NCGC00254769-01 196720502 tox21-ror-cho-viability-p1 set3 4 0.0136854288 11.11630086 -5.61630086 5.5 3.1319983358 0.4869009342 0.2070898894 -6.76358405 -4.28896568 -4.80231288 -0.17482517 4.22258341 9.28233862 3.30936614 11.21896872 -5.8151538 -0.45860149 11.97387829 6.96537306 3.5084694 10.833913 -7.34488591 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 36734-19-7 37517 144211182 A A Iprodione O=C2CN(C(=O)NC(C)C)C(=O)N2c1cc(Cl)cc(Cl)c1 Tox21_300865 -NCGC00254691-01 196720082 tox21-ror-cho-viability-p1 set3 -1.1 13.6854287769 -95.9885837355 0.5698939949 -95.4186897406 3.1319983358 0.9803193079 4.32E-8 1.97100627 -3.28525436 3.05398115 -3.07410416 3.19531996 0.75235847 -2.00488983 3.49916272 -1.6892567 -0.51901032 -2.04986978 -3.82301604 -77.36326042 -95.80189733 -87.51887764 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 155569-91-8 22833503 144211104 B B Emamectin benzoate [O-]C(=O)c1ccccc1.CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1[NH2+]C)O[C@@H]2[C@@H](OC)C[C@@H](O[C@H]2C)O[C@@H]3C(C)=CC[C@@H]6C[C@H](OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OCC(=CC=C[C@@H]3C)[C@@]45O)C[C@@]7(O6)C=C[C@H](C)[C@H](O7)[C@@H](C)CC Tox21_300787 -NCGC00258811-01 196720909 tox21-ror-cho-viability-p1 set3 4 22.1761097005 13.2900867239 -7.7900867239 5.5 4.9549173134 0.6608038089 0.0580572573 -13.57507227 -5.7297283 -7.85194342 0.79179819 -7.64398589 -11.33009928 -10.7876814 -7.40514822 -7.17080318 -5.54193058 -8.59430451 -10.35895243 -3.58203442 6.23530779 3.86057448 1.202E-9 2.687E-9 6.008E-9 1.3429999999E-8 3.0039999999E-8 6.7169999999E-8 1.5019999999E-7 3.359E-7 7.51E-7 0.000001679 0.0000037549999999 0.000008396 0.00001878 0.000041979999999 0.000093879999999 68-12-2 6228 144208457 A Fc N,N-Dimethylformamide CN(C)C=O Tox21_201259 -NCGC00091632-02 196720486 tox21-ror-cho-viability-p1 set3 4 0.91452592 1.57973871 5.16770046 3.94580925 -1.74238916 1.74634054 4.50259573 -0.08829752 -2.78906904 -0.59383029 -2.73681119 0.11286631 -1.88024055 -0.77742631 0.34986738 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00258791-01 196720907 tox21-ror-cho-viability-p1 set3 4 10.9038958243 18.1084994039 -6.6084994039 11.5 0.3 0.6589933239 0.0593583831 -4.89614487 -4.50346159 -8.84041617 -2.96654332 -4.51483987 -5.03893565 0.96006961 1.81725506 -2.83810666 -0.32506627 0.30424548 -0.41561798 0.37392103 9.16474472 4.12713475 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3079999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.000008269 0.000018489999999 0.00004135 0.00009245 599-79-1 5359476 144208437 A A Sulfasalazine O=S(=O)(Nc1ccccn1)c3ccc(/N=N/c2cc(C(=O)O)c(O)cc2)cc3 Tox21_201239 -NCGC00259750-01 196721307 tox21-ror-cho-viability-p1 set3 -2.4 38.3355515749 -42.662004782 -5.330949568 -47.99295435 0.4 0.4515948349 0.2223677031 -12.16581855 -13.56751678 -8.35198544 -1.10912464 -15.84645149 -14.69553942 -17.61760535 -12.00249662 -3.37748382 -2.08297535 -12.97240255 -18.80258105 -31.33760157 -36.35829875 -23.9483842 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003668 0.000008201 0.00001834 0.000041009999999 0.00009169 7534-94-3 904857 144209399 A Ac Isobornyl methacrylate C=C(C)C(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C Tox21_202201 -NCGC00259594-01 196721311 tox21-ror-cho-viability-p1 set3 4 -6.73281405 -1.46425452 -1.62232811 2.03186298 -4.86158619 -7.04935249 -6.53589782 -7.22396376 -7.29757537 -2.02810042 -7.02761101 -4.57558935 -4.41477918 -0.74714635 -1.62626127 1.1679999999E-9 2.6129999999E-9 5.8419999999E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.4599999999E-7 3.2659999999E-7 7.3019999999E-7 0.0000016329999999 0.0000036509999999 0.000008164 0.00001826 0.00004082 0.00009128 262-12-4 9216 144209243 A A Dibenzo-p-dioxin c1ccc2Oc3ccccc3Oc2c1 Tox21_202045 -NCGC00259641-01 196721313 tox21-ror-cho-viability-p1 set3 4 77.115374479 14.2749264719 -4.2749264719 10 4.9549173134 0.6425359634 0.0695558208 -6.89577206 -3.04235182 -4.54395574 -4.56005703 -1.06320272 -4.49620051 -4.42983813 -2.10683562 -6.28836039 0.23239744 -4.92920301 -6.81920844 -3.53604773 -6.06771431 6.91666087 1.182E-9 2.6429999999E-9 5.91E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.304E-7 7.387E-7 0.0000016519999999 0.0000036939999999 0.000008259 0.000018469999999 0.000041299999999 0.00009234 113-92-8 5284366 144209290 A A Chlorpheniramine maleate [O-]C(=O)\C=C/C(=O)O.Clc1ccc(cc1)C(CC[NH+](C)C)c2ccccn2 Tox21_202092 -NCGC00091205-03 196721317 tox21-ror-cho-viability-p1 set3 4 -3.23755848 -2.40497112 -8.10797177 -3.40026703 -8.64724735 -6.98024078 1.24357025 -9.0360661 -3.13896694 -6.99934744 -7.60144357 -2.53245825 0.74768496 -2.665359 -1.32807142 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00259942-01 196721319 tox21-ror-cho-viability-p1 set3 4 -5.06705871 -2.18271104 -1.44666163 -3.3912166 -1.71674376 -7.31009221 -5.4091456 -1.73097766 -6.98629708 -2.04859941 -7.02715093 -9.13634535 -4.98870681 -6.38888585 -4.42742827 1.1919999999E-9 2.6659999999E-9 5.9609999999E-9 1.333E-8 2.981E-8 6.6649999999E-8 1.49E-7 3.332E-7 7.451E-7 0.0000016659999999 0.000003726 0.0000083309999999 0.00001863 0.000041649999999 0.000093139999999 88-72-2 6944 144209591 A A 2-Nitrotoluene Cc1ccccc1[N+](=O)[O-] Tox21_202393 -NCGC00259998-01 196721716 tox21-ror-cho-viability-p1 set3 4 -7.79488549 -5.44021352 -3.16607079 2.27180172 -2.72597867 -5.54768649 -5.46746932 -4.69610127 -4.12755028 -1.74450397 -4.48533878 -3.45165392 -4.19346777 -0.00417107 -1.28335244 1.163E-9 2.5999999999E-9 5.8149999999E-9 1.2999999999E-8 2.9069999999E-8 6.501E-8 1.454E-7 3.2509999999E-7 7.269E-7 0.000001625 0.000003634 0.000008127 0.00001817 0.00004063 0.00009086 108-77-0 7954 144209647 2,4,6-Trichloro-s-triazine Clc1nc(Cl)nc(Cl)n1 Tox21_202449 -NCGC00256320-01 196718658 tox21-ror-cho-viability-p1 set2 1.4 0.0485577337 18 1 19 2.7202212143 0.9366753059 0.0000302858 1.49800529 1.80841509 2.27116697 0 1.16148899 18.1968375 14.64309655 18.58279081 18.83768643 17.95549952 18.07349196 17.6101952 20.35697035 21.60669453 20.19522154 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-56-9 5111791 144213128 A A 4-Nitro-1,2-phenylenediamine Nc1ccc(cc1N)[N+]([O-])=O Tox21_302811 -NCGC00256456-01 196718244 tox21-ror-cho-viability-p1 set2 4 3.93587511 0.84087232 4.06392425 3.64331895 0.62480883 -2.07221849 2.87791498 1.98685579 3.15674651 0.41412651 1.33497742 4.20951503 -1.30677186 1.44290396 0.28087028 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-94-1 743 144213188 Ac A Pentanedioic acid O=C(O)CCCC(=O)O Tox21_302871 -NCGC00091426-02 196718642 tox21-ror-cho-viability-p1 set2 4 1.57198064 1.26159252 3.23784088 -0.74957317 -0.63396683 6.78167454 1.92481402 5.28653019 3.09738868 5.43141677 9.38109867 3.83561421 2.93326107 2.57166877 1.03615879 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00258143-01 196716180 tox21-ror-cho-viability-p1 set2 4 2.72959915 -0.40963547 0.38803791 0.0820859 0.49269271 2.25838015 -0.43928524 3.08907276 -0.35101467 -1.15679728 -0.06325229 -2.62104356 0.28608236 0.22161676 0.13514112 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.00001842 0.0000412 0.00009212 342789-81-5 11492381 144207787 A A 1-Butyl-3-methylimidazolium methanesulfonate CCCCn1cc[n+](C)c1.[O-]S(C)(=O)=O Tox21_200589 -NCGC00090942-03 196716171 tox21-ror-cho-viability-p1 set2 -2.1 68.5896218971 -105.671442997 -3.835882931 -109.507325928 3.5722481694 0.971596475 3.556E-7 -3.57428752 -5.13011898 -1.70803971 0.34935296 -3.5902743 0.39873391 0.27500067 -0.40557612 -0.44701573 -9.09521987 -5.86399384 -9.33067789 -10.19719946 -19.243566 -82.9600954 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00258066-01 196716173 tox21-ror-cho-viability-p1 set2 4 4.11072878 1.24064148 1.92714062 2.383726 5.04665397 3.22932303 2.53396606 6.51755146 3.58521101 3.23394504 6.02400912 6.12348524 0.64935505 7.86014907 6.22035573 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004136 0.00009247 88-96-0 6956 144207710 A A Phthalamide O=C(N)c1ccccc1C(N)=O Tox21_200512 -NCGC00258750-01 196716179 tox21-ror-cho-viability-p1 set2 4 -1.53013248 0.35375475 1.76367956 0.25932775 0.12377325 -0.76979368 -3.02457039 -0.0843451 -0.30412117 -3.01208185 1.52796957 -0.48360066 0.15258603 2.07475683 2.96180076 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.552E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.0000036629999999 0.00000819 0.00001831 0.00004095 0.000091569999999 60-19-5 66449 144208396 A A Tyramine hydrochloride Cl.Oc1ccc(CCN)cc1 Tox21_201198 -NCGC00163930-04 196716182 tox21-ror-cho-viability-p1 set2 4 1.03023647 2.14792492 -1.89313858 1.11115281 -0.77423237 3.27250158 -0.14514959 -0.73530349 -0.57916952 -1.73117677 -1.2376028 0.62859301 -1.57165726 2.60633535 0.8104927 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00258271-01 196716194 tox21-ror-cho-viability-p1 set2 4 -4.20460229 -0.93702564 -5.53083575 -3.67045169 -0.49915876 -1.17998988 -3.71230371 -3.02092384 -2.43833483 0.94711071 1.05851887 1.7581945 -3.40952319 1.14195333 2.30677384 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.961E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.000003701 0.000008275 0.0000185 0.00004137 0.000092519999999 216299-72-8 12040508 144207915 A A 1-Methyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide C[n+]1ccn(CCC)c1.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F Tox21_200717 -NCGC00258025-01 196716588 tox21-ror-cho-viability-p1 set2 4 3.31400649 5.56179443 1.50460945 0.95173156 3.45132054 5.18452168 0.1176305 3.85683774 3.94141984 0.71713977 2.01840069 -1.00352727 2.18826194 1.67527661 2.90485877 1.21E-9 2.7049999999E-9 6.048E-9 1.352E-8 3.024E-8 6.7619999999E-8 1.512E-7 3.381E-7 7.5599999999E-7 0.000001691 0.00000378 0.0000084529999999 0.0000189 0.00004226 0.000094499999999 122-96-3 67151 144207669 A A 1,4-Piperazinediethanol OCCN1CCN(CC1)CCO Tox21_200471 -NCGC00257678-01 196716590 tox21-ror-cho-viability-p1 set2 4 3.78692878 2.73796837 0.42726166 2.88594321 2.20624814 -1.03476935 1.41785692 0.09032007 -1.07191836 0.31307525 0.19283468 1.83825004 2.69685009 2.74719406 0.78154898 1.144E-9 2.5579999999E-9 5.72E-9 1.2789999999E-8 2.8599999999E-8 6.395E-8 1.4299999999E-7 3.1979999999E-7 7.1499999999E-7 0.0000015989999999 0.000003575 0.000007994 0.00001787 0.00003997 0.00008937 693-95-8 12748 144207322 AC Ac 4-Methylthiazole Cc1cscn1 Tox21_200124 -NCGC00257813-01 196716603 tox21-ror-cho-viability-p1 set2 4 -0.30341236 -0.48872282 -0.26657916 -0.5787593 0.02891536 -0.56000115 -0.5161591 0.44989624 -0.38934161 -0.0285597 -0.41112309 1.01048164 -5.36911842 -6.1963247 -0.07132439 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004133 0.000092409999999 2402-79-1 16990 144207457 AC B 2,3,5,6-Tetrachloropyridine Clc1cc(Cl)c(Cl)nc1Cl Tox21_200259 -NCGC00258435-01 196716610 tox21-ror-cho-viability-p1 set2 4 0.13921647 0.50739064 -2.33564836 -2.57091565 1.93269123 -5.55225168 -2.476868 1.0777375 0.27740666 1.29260343 -6.73851326 3.15083814 -7.06114304 -4.00289632 -2.15083681 1.194E-9 2.6689999999E-9 5.968E-9 1.335E-8 2.9839999999E-8 6.6729999999E-8 1.4919999999E-7 3.3359999999E-7 7.4599999999E-7 0.000001668 0.00000373 0.0000083409999999 0.00001865 0.0000417 0.000093249999999 102-28-3 7604 144208079 A B 3-Aminoacetanilide O=C(C)Nc1cccc(N)c1 Tox21_200881 -NCGC00160424-02 196717003 tox21-ror-cho-viability-p1 set2 4 -7.78049594 -3.84994603 -1.5686178 -2.19600426 -2.05194614 -5.89677423 3.02899865 -2.68212824 -5.18986952 0.10233204 -6.62138039 2.20324446 0.40668987 1.72804577 -1.48659721 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5843-53-8 160796 170465619 A Clobenzorex hydrochloride Cl.Clc2ccccc2CNC(C)Cc1ccccc1 Tox21_111806_1 -NCGC00259354-01 196712294 tox21-ror-cho-viability-p1 set2 -2.2 60.5094261282 -45.0857141308 -3.5 -48.5857141308 1.8851180601 0.864917321 0.0013875978 -0.45818658 0.08193615 -3.44024824 -6.2386232 -3.13392245 -8.56874752 -2.29331872 -5.47044952 -4.16477897 -1.56154597 -8.75733602 0 -11.9009353 -12.91298481 -36.80735919 1.1699999999E-9 2.615E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.538E-8 1.462E-7 3.269E-7 7.31E-7 0.000001635 0.0000036549999999 0.000008173 0.00001828 0.000040869999999 0.00009138 57-97-6 6001 144209003 B C 7,12-Dimethylbenz(a)anthracene Cc2c1c4ccccc4ccc1c(C)c3ccccc23 Tox21_201805 -NCGC00015996-10 196712701 tox21-ror-cho-viability-p1 set2 4 -3.49141484 -4.12081402 -0.197806 -1.30390191 -1.07106691 -3.56506893 -0.40297811 0.59240031 -0.67890851 -0.33001899 -1.08089895 0.03498023 -0.39534814 1.31287065 2.00879662 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51012-33-0 5702214 170465877 A Tiapride hydrochloride Cl.O=S(C)(=O)c1cc(c(OC)cc1)C(=O)NCCN(CC)CC Tox21_110276_1 -NCGC00259230-01 196712284 tox21-ror-cho-viability-p1 set2 -2.2 42.7934611113 -46.3773715927 0.8814509839 -45.4959206088 3.0654483358 0.8538375285 0.0019978308 0.05426795 -0.96923146 1.28555621 3.53691769 3.98023772 -14.83595438 4.90070182 -1.97107533 4.18972408 3.08238283 -0.31156211 4.76269773 0.44756975 -21.28925125 -41.28478834 1.1689999999E-9 2.614E-9 5.8459999999E-9 1.3069999999E-8 2.9229999999E-8 6.536E-8 1.461E-7 3.268E-7 7.3069999999E-7 0.0000016339999999 0.0000036539999999 0.00000817 0.00001827 0.00004085 0.00009134 82-28-0 6702 144208879 A A 1-Amino-2-methylanthraquinone O=C3c1ccccc1C(=O)c2c3ccc(C)c2N Tox21_201681 -NCGC00091009-05 196712292 tox21-ror-cho-viability-p1 set2 -2.4 8.7021333427 -25.1696159599 1.5 -23.6696159599 3.1319983358 0.9504858911 0.0000079878 -0.57856896 0.51777653 -0.54282725 2.72412953 -0.09598015 2.96641603 2.95324947 0.97497277 2.30649296 2.07067035 0.18099107 -7.64440916 -25.31802526 -25.5580133 -18.34479512 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.00003772 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00253676-01 196712702 tox21-ror-cho-viability-p1 set2 4 -3.91798674 -3.75602293 -5.08152841 -3.69320432 2.75494854 -2.88635241 -0.55604642 2.23373529 -0.77898401 0.15368934 -1.49726189 -2.13231508 -8.45749029 -4.23159356 1.20454715 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26116-12-1 117295 170466694 Z Fns 1-Ethylpyrrolidin-2-ylmethylamine NCC1CCCN1CC Tox21_113800 -NCGC00163724-03 196712706 tox21-ror-cho-viability-p1 set2 4 -3.85718528 -7.20073821 -4.30633278 -7.39717422 -4.91413016 -7.08008742 -2.24996572 -1.29248958 -1.82147953 -1.90537039 -0.42461295 -0.19627585 -0.59981785 -1.23808886 -4.52897062 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00161831-04 196713107 tox21-ror-cho-viability-p1 set2 -3 33.4914596268 -43.3849437949 0.5 -42.8849437949 4.9549173134 0.9726938837 2.85E-7 -1.141098 -1.29583257 1.27541876 1.25026934 -0.84377723 -0.42335883 0.65545461 -0.51938792 0.24662841 1.03204717 0.19635309 2.2031844 0.21269698 1.1847091 -37.61837175 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51773-92-3 65329 170465100 A Mefloquine hydrochloride Cl.O[C@@H](c2cc(nc1c2cccc1C(F)(F)F)C(F)(F)F)[C@H]3CCCCN3 Tox21_111999_1 -NCGC00166309-02 196713108 tox21-ror-cho-viability-p1 set2 4 -6.03251297 -7.20589611 -1.9110641 -5.62833318 -3.06106419 -2.0360232 -0.76152309 -3.72340393 -2.16391437 -0.25082329 -4.24045528 -6.68594613 -4.88152671 -13.35036849 -12.37486086 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 850-52-2 10041070 170465646 A Altrenogest O=C3C=C4CC[C@@H]2C(C=C[C@@]1(C)[C@H]2CC[C@@]1(O)CC=C)=C4CC3 Tox21_113356_1 -NCGC00167475-02 196713114 tox21-ror-cho-viability-p1 set2 4 -0.29758234 -0.1495108 0.69751706 2.17453643 1.61496583 -0.41812861 1.42108277 0.81150208 1.53438746 -0.86340893 -0.0068049 -0.10592034 -0.0921819 2.23091751 4.27807823 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 134-80-5 91442 170464650 A Diethylpropion hydrochloride Cl.O=C(C(C)N(CC)CC)c1ccccc1 Tox21_112479_1 -NCGC00159343-05 196713116 tox21-ror-cho-viability-p1 set2 4 1.27335305 1.67078908 2.86096671 1.50251205 3.06973868 0.11395761 2.34550027 1.68227215 0.85690671 -1.67679247 2.67278063 -0.90024461 -1.5670714 -0.39731075 0.48209889 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 36282-47-0 33741 170464654 A Tramadol hydrochloride O[C@@]1(CCCC[C@@H]1CN(C)C)c2cc(OC)ccc2 Tox21_111588_1 -NCGC00094819-07 196713527 tox21-ror-cho-viability-p1 set2 -2.4 26.6032120037 -29.6255414 2 -27.6255414 3.1924983358 0.7055881476 0.0356485154 -1.93547164 -3.44069867 -2.11088382 0.42098973 -0.65943371 2.22600774 1.22737618 1.97151924 9.50716033 1.47813931 0.5734178 13.23525603 0.82458455 -7.20438935 -23.0212845 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 141-94-6 3607 170465729 D Hexetidine CCC(CCCC)CN1CC(C)(N)CN(CC(CCCC)CC)C1 Tox21_110424_1 -NCGC00094521-05 196713536 tox21-ror-cho-viability-p1 set2 4 -0.3608565 -0.68535731 0.52224385 -4.98168385 -0.56047234 -1.14290257 -1.4737521 0.15082116 1.23239798 0.03510045 1.52633202 1.80317833 0.26751456 1.4971122 -0.15785925 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00255609-01 196729081 tox21-ror-cho-viability-p1 set3 4 0.0968854161 8.3834875799 -0.8834875799 7.5 4.4494702849 0.5788770576 0.127717217 1.06484119 -1.98623965 0.05138276 -1.57501978 -1.86767429 -0.89162188 9.04485609 9.46615073 0.19402318 8.25150078 6.65962715 9.54731739 15.78817951 2.15556678 -14.15065603 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-06-8 6624 144211775 A A Chlorfenethol OC(C)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_301458 -NCGC00255299-01 196729091 tox21-ror-cho-viability-p1 set3 4 38.5707788719 27.9426898279 -1.9426898279 26 0.5999999999 0.5556606644 0.1307339221 0.8978243 -4.1706689 2.07342098 -1.31299253 -4.27988071 -3.97995501 -1.26052029 -5.36890819 5.74928935 -1.29610044 5.30046612 6.09720962 15.87972907 -1.29452029 23.33971149 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26002-80-2 4767 144211887 A A Phenothrin C/C(C)=C/C3C(C(=O)OCc2cccc(Oc1ccccc1)c2)C3(C)C Tox21_301570 -NCGC00255669-01 196728678 tox21-ror-cho-viability-p1 set3 4 -3.37956675 11.74302441 -1.56839193 -1.37370569 8.19164388 -3.69372996 -2.25597773 -2.30965475 1.88946975 -2.91445021 -4.2758091 -2.69780615 -3.37207631 8.14997768 -1.78844906 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79558-09-1 6603901 144212730 A A 4-[3-(4-Acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy-acetic acid Oc2c(ccc(OCCCOc1ccc(OCC(=O)O)cc1)c2CCC)C(C)=O Tox21_302413 -NCGC00255924-01 196729079 tox21-ror-cho-viability-p1 set3 4 1.30247929 -2.2182121 -4.80747371 2.32346569 4.70117913 -6.97821088 -3.34938233 -6.77097331 -1.50423872 4.30144137 3.49121279 -5.21513217 8.49865555 6.12043905 2.44051538 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004107 0.00009184 134-81-6 8651 144212348 A A 1,2-Diphenylethanedione O=C(C(=O)c1ccccc1)c2ccccc2 Tox21_302031 -NCGC00090686-07 196729093 tox21-ror-cho-viability-p1 set3 4 2.93023571 18.5428715 7.93548097 7.84458552 4.38976056 3.00636534 2.3437514 12.1144072 11.51695786 4.88233081 -5.24829005 12.36284432 7.48347682 -5.9639481 1.08706872 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00257812-01 196729486 tox21-ror-cho-viability-p1 set3 4 0.0010594937 -20.849675408 22 1.150324592 0.5 0.437594703 0.2366088082 17.81073565 6.62769512 -0.0786723 2.96842728 9.2193573 4.85242476 10.1555237 1.76802198 -0.57684008 2.94906942 1.7233812 -0.70806284 1.23426366 0.04112475 1.74005936 1.155E-9 2.5839999999E-9 5.7769999999E-9 1.292E-8 2.889E-8 6.459E-8 1.444E-7 3.23E-7 7.2219999999E-7 0.000001615 0.000003611 0.000008074 0.000018049999999 0.000040369999999 0.000090269999999 21416-67-1 30623 144207456 A A ICRF-159 O=C2CN(CC(C)N1CC(=O)NC(=O)C1)CC(=O)N2 Tox21_200258 -NCGC00257649-01 196729489 tox21-ror-cho-viability-p1 set3 -1.1 17.6058248054 -85.9951589107 0.2792747349 -85.7158841758 2.5334283767 0.9907053323 5E-10 0.51949199 0.4200562 -0.236052 0.65202692 1.31612618 0.65937143 0.83302221 0.42172239 0 -0.68391135 -0.40112636 -13.96046347 -31.29492772 -77.54351585 -80.89112647 9.917E-10 2.218E-9 4.959E-9 1.1089999999E-8 2.479E-8 5.544E-8 1.24E-7 2.7719999999E-7 6.198E-7 0.0000013859999999 0.000003099 0.00000693 0.0000155 0.000034649999999 0.00007748 68844-77-9 2247 144207293 A A Astemizole Fc1ccc(cc1)Cn4c5ccccc5nc4NC3CCN(CCc2ccc(OC)cc2)CC3 Tox21_200095 -NCGC00257555-01 196729490 tox21-ror-cho-viability-p1 set3 4 -5.9175708 1.49516981 -2.67166586 0.50813702 -4.4282752 2.44853066 -8.32390824 -1.36107528 -25.56604928 -1.6331132 -12.83431112 -11.96196138 3.79946378 7.07739751 -1.60133774 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004129 0.000092319999999 100-15-2 7483 144207199 A A N-Methyl-4-nitroaniline CNc1ccc(cc1)[N+]([O-])=O Tox21_200001 -NCGC00257683-01 196729491 tox21-ror-cho-viability-p1 set3 4 0.57467281 1.66123168 0.04180133 0.04669135 1.64582945 0.22751286 1.32845009 0.98705979 3.85380245 0.85588519 1.24350545 0.63513424 -2.1578628 0.85153274 -1.12099457 1.2089999999E-9 2.703E-9 6.0439999999E-9 1.3509999999E-8 3.022E-8 6.757E-8 1.511E-7 3.379E-7 7.5549999999E-7 0.000001689 0.000003777 0.000008446 0.00001889 0.000042229999999 0.00009443 100-53-8 7509 144207327 A A Benzenemethanethiol SCc1ccccc1 Tox21_200129 -NCGC00091088-05 196729498 tox21-ror-cho-viability-p1 set3 4 4.88020791 3.09679034 4.67164894 -2.21904995 0.66356849 2.78550119 1.12621738 2.18409048 4.54950997 3.34393067 2.59992718 1.95762029 1.24931547 1.23702939 1.19626203 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00258780-01 196729501 tox21-ror-cho-viability-p1 set3 4 0.2204334083 -4.2538281719 4 -0.2538281719 4.9549173134 0.6099902278 0.0917493643 2.85809997 1.85310872 9.16305366 4.86788106 2.51824499 3.89989987 3.69273069 0.16435442 -0.60168604 -1.31974478 0.76692436 -2.29485681 -0.62172448 1.9684287 -0.37669819 1.196E-9 2.6749999999E-9 5.981E-9 1.337E-8 2.9899999999E-8 6.6869999999E-8 1.4949999999E-7 3.3429999999E-7 7.476E-7 0.0000016719999999 0.0000037379999999 0.000008358 0.00001869 0.00004179 0.00009345 1975-50-4 16096 144208426 A A 2-Methyl-3-nitrobenzoic acid Cc1c(cccc1[N+](=O)[O-])C(=O)O Tox21_201228 -NCGC00258562-01 196729905 tox21-ror-cho-viability-p1 set3 4 50.4087760173 -16.69651362 4 -12.69651362 4.4494702849 0.7015699607 0.0376733502 -2.87349834 4.03108893 3.57950236 2.56016864 3.97111718 4.50554132 2.66886648 6.54586889 7.11466836 4.13729334 1.82737528 2.81695178 8.23787929 0.29414755 -11.41376135 1.106E-9 2.4729999999E-9 5.531E-9 1.237E-8 2.765E-8 6.183E-8 1.383E-7 3.0919999999E-7 6.913E-7 0.0000015459999999 0.0000034569999999 0.000007729 0.00001728 0.00003865 0.00008641 101-53-1 7563 144208207 A A 4-Benzylphenol Oc2ccc(Cc1ccccc1)cc2 Tox21_201009 -NCGC00254022-01 196719516 tox21-ror-cho-viability-p1 set3 2.4 1.9331181962 27.882252 -15.882252 12 0.2 0.7178691322 0.0307333344 -11.98214415 -11.79028562 -3.11591809 -13.23521 -6.204491 -6.63922503 -2.42143779 -4.70480551 -3.28942311 -6.25860729 -0.08085664 0.21474552 0.59471216 -0.69985185 7.19798907 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-07-3 34 144210363 Ac 2-Chloroethanol ClCCO Tox21_300043 -NCGC00091532-04 196719079 tox21-ror-cho-viability-p1 set2 -2.2 55.1482208978 -44.830814968 -1.570628108 -46.401443076 3.1319983358 0.9310549508 0.0000475111 -4.64990097 -4.74142884 2.14458178 1.48063795 -2.13783495 -1.12177821 0.82271239 -5.89647861 -6.05841055 0.42124486 -1.40240786 -1.9356906 -0.19572974 -15.93636141 -38.5616993 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00254940-01 196719506 tox21-ror-cho-viability-p1 set3 -2.2 54.4826732819 -61.2398383764 -4.8336143879 -66.0734527643 1.9673362061 0.9735291114 2.383E-7 -2.37871839 -4.65974871 -6.98530891 -5.58965089 -3.03504947 -6.49388542 -2.10031127 -2.01310311 -4.56159694 -7.61383647 -6.08955675 -9.95828022 -10.52832484 -25.27758846 -51.19200967 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119168-77-3 86354 144211355 A A Tebufenpyrad Clc2c(C(=O)NCc1ccc(cc1)C(C)(C)C)n(C)nc2CC Tox21_301038 -NCGC00254179-01 196719509 tox21-ror-cho-viability-p1 set3 -3 68.5198756601 -63.1378151309 7.4380821474 -55.6997329835 4.9549173134 0.8250657869 0.0044742746 13.19805246 -4.29749538 8.06853851 7.55774093 10.8695919 11.93032311 13.48157753 8.19650266 1.89505444 -2.08651162 14.37693392 -1.57269647 9.853571 7.34532354 -44.38470903 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 302-79-4 444795 144210625 C D all-trans-Retinoic acid CC=1CCCC(C)(C)C=1/C=CC(\C)=C\C=C\C(\C)=C\C(=O)O Tox21_300305 -NCGC00254212-01 196719520 tox21-ror-cho-viability-p1 set3 4 2.95062296 1.04799494 11.14805323 8.10416323 4.61194206 5.04038486 13.88749063 11.55780906 13.46650364 18.24633624 5.27711759 4.59004299 4.94819025 2.5397403 1.69075929 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 826-62-0 13223 144210593 A A 2-Norbornene-5,6-dicarboxylic anhydride O=C1OC(=O)C3C1C2CC3C=C2 Tox21_300273 -NCGC00254264-01 196719914 tox21-ror-cho-viability-p1 set3 2.4 0.0121971512 20.308214332 -19.808214332 0.5 0.4 0.82433607 0.0046009057 -12.84154722 -17.34017861 -9.45287586 -6.75494816 -8.94331838 -8.24272028 -1.27036439 -3.04900421 -6.48163301 -3.02664819 -1.09434667 -0.23005382 0.08454427 -0.23259338 -0.76315961 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 147-24-0 8980 144210928 A A Diphenhydramine hydrochloride Cl.CN(C)CCOC(c1ccccc1)c2ccccc2 Tox21_300611 -NCGC00254661-01 196719915 tox21-ror-cho-viability-p1 set3 4 -4.76351615 -0.66029661 -14.05188197 -14.17821446 -8.2465752 -1.41779718 -0.02571582 -5.26011038 -6.29083488 -0.49930126 -8.49793188 -0.80692688 -4.89963669 0.42579943 5.08384006 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1009-93-4 66094 144211074 Fns Fns 2,2,4,4,6,6-Hexamethyl-1,3,5,2,4,6-triazatrisilinane C[Si]1(C)N[Si](C)(C)N[Si](C)(C)N1 Tox21_300757 -NCGC00090698-04 196719929 tox21-ror-cho-viability-p1 set3 4 0.6113056486 -9.4209945041 9.5 0.0790054959 4.9549173134 0.634075383 0.0740579237 12.13009401 7.30357618 4.24677092 6.36745023 10.86229769 11.27376244 6.56528737 16.60466769 2.22799965 -1.81834381 1.11128457 3.5598864 -4.51749542 1.9492733 1.89324948 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00255102-01 196720331 tox21-ror-cho-viability-p1 set3 -3 61.5037543138 -56.879580893 6 -50.879580893 4.5044702849 0.9250061159 0.0000738263 6.25159316 7.14027006 4.76328178 8.48723939 10.95859165 8.73902291 9.22408845 9.4852343 3.42550678 6.19073974 -1.64295799 -0.81017393 2.92572598 -2.33815938 -43.29517056 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 106-71-8 7825 144211522 A A 2-Cyanoethyl prop-2-enoate C=CC(=O)OCCC#N Tox21_301205 -NCGC00183831-01 196717841 tox21-ror-cho-viability-p1 set2 4 14.9600854925 -13.029921456 4 -9.029921456 0.8999999999 0.7235372419 0.0288337955 3.78001036 2.62879214 1.23003232 3.65393363 3.76085173 7.50493232 3.68809134 8.27615077 3.58005838 2.97053583 -0.51980564 0.89243277 0.60543803 -4.11851259 -5.85826788 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 642-83-1 688576 144206883 A D Aceglatone O=C1O[C@H]2[C@@H](OC(C)=O)C(=O)O[C@H]2[C@@H]1OC(C)=O Tox21_113332 -NCGC00018291-03 196717429 tox21-ror-cho-viability-p1 set2 4 0.0084126743 8.248834708 -9.248834708 -1 2.3331733767 0.6613120062 0.0581732571 -4.89815857 -12.29069559 -9.96107975 -5.55478538 -3.53876029 -0.28236154 -1.74980774 -0.82283184 -2.98236681 -2.11105295 0.33049456 -5.23102548 2.04739187 2.12355151 -1.7876065 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72332-33-3 688561 170465820 A Procaterol CC(C)N[C@@H](CC)[C@H](O)c2ccc(O)c1NC(=O)C=Cc12 Tox21_110941_1 -NCGC00257414-01 196718908 tox21-ror-cho-viability-p1 set2 -2.4 67.6838457892 -32.6259922959 1.5 -31.1259922959 3.2974983358 0.8112152491 0.0062482167 -0.26362077 0.31483243 2.25342858 2.30460801 1.6440083 6.80129225 2.31351199 1.50630304 2.04978104 1.57153388 7.94048544 -5.69106861 -0.55208225 -3.28549144 -22.60499358 1.167E-9 2.609E-9 5.8339999999E-9 1.305E-8 2.917E-8 6.523E-8 1.459E-7 3.262E-7 7.2929999999E-7 0.000001631 0.0000036469999999 0.000008154 0.00001823 0.00004077 0.000091159999999 23386-52-9 23692768 144213699 A Dicyclohexyl sodium sulfosuccinate [Na+].O=C(OC1CCCCC1)C(CC(=O)OC2CCCCC2)S([O-])(=O)=O Tox21_303387 -NCGC00255425-01 196718505 tox21-ror-cho-viability-p1 set2 4 30.6378586933 -14.4008615079 2.5 -11.9008615079 1.1340999999 0.7370334202 0.0238734137 0.48803857 0.91206707 2.62851684 2.0235848 1.09196134 2.76222232 0.67363702 3.0143506 5.35799968 3.8478857 3.76081156 -5.40348255 -0.98405113 -5.16816514 -9.91738459 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68-96-2 6238 144211847 A A 17alpha-Hydroxyprogesterone CC(=O)[C@@]3(O)CC[C@H]2[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_301530 -NCGC00257129-01 196718902 tox21-ror-cho-viability-p1 set2 4 -0.95871479 0.95122848 -0.16903853 1.82920842 0.19470809 5.39529494 3.81692271 7.10666208 2.9064907 4.43694296 8.36446066 2.81121003 3.46365431 6.01000699 3.65128776 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-92-1 23662383 144213524 Ac Sodium ethasulfate [Na+].O=S([O-])(=O)OCC(CCCC)CC Tox21_303207 -NCGC00257042-01 196718903 tox21-ror-cho-viability-p1 set2 4 0.5448267328 5.5321588759 -4.5321588759 1 2.8472712143 0.3489331019 0.3221227222 -5.80236421 -2.2021975 -1.2145727 -1.1256756 -10.44346573 -8.53632941 -2.7192999 -3.53916264 -0.54913356 -0.15117389 7.48850562 -3.45148532 -2.36325557 -1.9207498 4.93736223 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1120-36-1 14260 144213368 F Fns 1-Tetradecene CCCCCCCCCCCCC=C Tox21_303051 -NCGC00256402-01 196718914 tox21-ror-cho-viability-p1 set2 -2.1 27.3060203028 -91.2506403851 -3.494453798 -94.7450941831 1.6258976909 0.9837875972 1.4E-8 -9.67449237 0.79041582 -1.60971417 -2.86151941 1.39507221 -1.39608517 -1.55349465 -9.15648014 -4.87414744 -7.29066764 -9.06226581 -12.84120952 -36.30355223 -63.0524797 -83.54946577 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 989-38-8 235227 144213215 A A Rhodamine 6G Cl.O=C(OCC)c4ccccc4C=1c3cc(C)c(cc3OC2=C\C(=N\CC)C(C)=CC=12)NCC Tox21_302898 -NCGC00091261-03 196718915 tox21-ror-cho-viability-p1 set2 4 53.9290828027 -15.7699068399 2 -13.7699068399 0.8999999999 0.6762585531 0.0502393461 3.29053813 3.12751603 -0.57791768 0.23315639 3.6758519 3.30971325 0.50394939 2.76277945 0.43098965 3.68086925 -0.14084724 -4.36737314 -0.73232778 -1.74315714 -9.8082557 1.1699999999E-9 2.6159999999E-9 5.849E-9 1.3079999999E-8 2.9239999999E-8 6.539E-8 1.462E-7 3.27E-7 7.311E-7 0.000001635 0.0000036549999999 0.0000081739999999 0.00001828 0.000040869999999 0.000091389999999 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00256558-01 196718916 tox21-ror-cho-viability-p1 set2 4 0.22156707 -0.14635868 -0.29243363 0.11506748 1.04610295 0.24519104 0.90627625 2.01206395 -0.80868035 1.07148565 -0.44818426 1.8414927 -0.23816562 0.48906032 -4.78002372 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.331E-7 7.447E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004163 0.00009309 123-07-9 31242 144213303 A A 4-Ethylphenol CCc1ccc(O)cc1 Tox21_302986 -NCGC00254151-01 196713957 tox21-ror-cho-viability-p1 set2 4 54.4826732819 -19.419205024 0.5 -18.919205024 1.752947691 0.9025364673 0.0002882526 -3.12705871 0.39587737 0.98742904 -0.43314611 0.81892757 2.77539874 -0.49141642 0.75967324 0.84208287 1.51009431 0.7306458 -0.35272521 -3.23156411 -6.31171195 -14.09933752 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 262376-75-0 9882837 144210547 C D HMR1426 Clc1cc2CC3SC(=NC3(O)c2cc1)c4ccccc4 Tox21_300227 -NCGC00182072-03 196713541 tox21-ror-cho-viability-p1 set2 4 0.2984929481 6.466798716 -5.466798716 1 1.111 0.7786705914 0.0123452952 -4.85935121 -7.2212639 -2.62591701 -5.83557223 -5.95681249 -7.88899893 -3.21726395 -2.50616709 -1.59343991 -2.63197705 1.33074548 1.02290651 2.1316202 -0.83028858 1.57518741 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 70-07-5 6257 170466491 A Mephenoxalone COc2ccccc2OCC1CNC(=O)O1 Tox21_113149_1 -NCGC00167980-02 196713542 tox21-ror-cho-viability-p1 set2 4 0.3349145963 -20.793515968 11 -9.793515968 0.2 0.8009093129 0.0079259143 8.7488125 6.50108448 4.03830288 4.42354743 2.42901413 -0.20755152 0 3.83880216 1.84156762 -0.16336289 1.24428612 -1.63165224 -2.87720084 -2.82296735 -6.49459664 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52549-17-4 4888 170465811 B Pranoprofen O=C(O)C(C)c1cc2Cc3cccnc3Oc2cc1 Tox21_112601_1 -NCGC00254325-01 196713946 tox21-ror-cho-viability-p1 set2 4 -0.71958141 -3.0110824 -1.25852979 -5.11923075 -2.87805715 -4.45416334 -0.10731863 -3.79386641 -8.38933828 -9.08071357 0.32762515 -7.24641634 -2.51758506 -3.64583387 0.7511811 1.115E-9 2.493E-9 5.574E-9 1.246E-8 2.7869999999E-8 6.2319999999E-8 1.394E-7 3.1159999999E-7 6.9679999999E-7 0.000001558 0.000003484 0.00000779 0.00001742 0.00003895 0.000087099999999 1934-21-0 5359657 144210871 A Ac FD&C Yellow 5 [Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)/N=N/C3=C(NN(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O Tox21_300554 -NCGC00091586-02 196714350 tox21-ror-cho-viability-p1 set2 4 -0.29792175 1.4023829 0.92266737 1.02720802 0.53081274 0.57703347 1.51020168 1.69598383 0.38129761 3.5540988 0.79617402 2.68471279 3.6045041 -0.01510151 0.38443818 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00260110-01 196724365 tox21-ror-cho-viability-p1 set3 4 48.5577336745 -19.0062329559 -2 -21.0062329559 1.4641 0.5058020949 0.1733780268 -5.90645021 4.84973101 1.44120703 -7.28240417 -6.17492504 -3.55494487 8.35519873 -2.93258563 -4.08410461 -4.08539146 -3.08034834 -4.37797547 -0.93045148 -12.49673031 -17.50519413 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004124 0.00009223 2235-54-3 16700 144209759 F A Ammonium dodecyl sulfate [NH4+].[O-]S(=O)(=O)OCCCCCCCCCCCC Tox21_202561 -NCGC00357114-01 196724373 tox21-ror-cho-viability-p1 set3 4 0.36479384 -4.0586943 -8.76294577 -12.75928931 0.66542191 -1.40889712 -4.09478587 -2.00461706 -9.4721589 1.6928552 -7.75852307 0.05103164 -7.0570419 -1.39939795 1.05819937 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-43-6 7502 251919838 A 4-Vinylpyridine C=Cc1ccncc1 Tox21_303844 -NCGC00260667-01 196724378 tox21-ror-cho-viability-p1 set3 4 0.0033295384 13.6549192719 -11.6549192719 2 0.5999999999 0.5631777023 0.1258350455 -8.04576606 -5.43545997 -0.40979207 -6.50050299 1.46628257 0.90599648 2.45368516 0.12419199 -0.23869264 -1.80456947 1.7201654 4.72743748 0.8089055 -0.31817081 7.42646578 1.149E-9 2.568E-9 5.743E-9 1.284E-8 2.872E-8 6.421E-8 1.436E-7 3.211E-7 7.1789999999E-7 0.0000016049999999 0.000003589 0.0000080259999999 0.00001795 0.00004013 0.000089739999999 71-55-6 6278 144210320 Fns 1,1,1-Trichloroethane CC(Cl)(Cl)Cl Tox21_203122 -NCGC00356948-01 196724379 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -16.16093294 -0.5 -16.66093294 4.9549173134 0.4618574582 0.2140503627 -7.98655437 -1.44817243 2.31881131 -3.53163776 -2.90961001 -2.28809711 2.31898787 4.46134315 -3.02692653 3.89364019 1.59684977 2.17957677 -3.83042649 0.32319949 -13.05077745 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 54686-97-4 6850837 251919834 A Bis(p-methylbenzylidene)sorbitol OC[C@@H](O)[C@H]1OC(O[C@H]2COC(O[C@@H]12)c3ccc(C)cc3)c4ccc(C)cc4 Tox21_303848 -NCGC00357096-01 196724774 tox21-ror-cho-viability-p1 set3 4 0.0136854288 14.516472992 -12.016472992 2.5 0.4 0.6384239403 0.0716623384 -8.15038202 -8.53179012 -1.50230554 -10.43039416 -0.76152135 -3.32810036 -1.12387195 1.65742704 -2.57397627 2.46615786 -1.61184399 3.13233402 -0.13997053 1.29437494 4.20885405 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 452-58-4 9956 251919901 Fns 2,3-Diaminopyridine Nc1cccnc1N Tox21_303818 -NCGC00260149-01 196724779 tox21-ror-cho-viability-p1 set3 3 27.2782538257 59.8346312565 2.316334686 62.1509659425 4.9549173134 0.7725328695 0.4282527075 -4.11633499 5.64235935 6.16871342 4.98061939 9.60199878 7.21733914 7.7743503 4.61234096 2.18137745 3.6146491 -1.450486 -21.21740467 -58.92982352 55.16869678 -1.44639193 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008241 0.000018429999999 0.00004121 0.00009214 136-23-2 5284483 144209799 A Zinc dibutyldithiocarbamate [Zn+2].[S-]C(=S)N(CCCC)CCCC.CCCCN(CCCC)C([S-])=S Tox21_202601 -NCGC00357132-01 196724780 tox21-ror-cho-viability-p1 set3 4 -0.2534099 -2.03149986 0.2138595 -7.46470633 -0.14121525 -6.24764701 -1.3396105 0.21220988 -0.44933623 -1.8347301 -0.38216707 -5.93834254 -2.5788119 -0.50176485 -3.30967898 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 65983-31-5 20607916 251919807 A 2-(3a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoinden-8-yloxy)ethyl prop-2-enoate C=CC(=O)OCCOC3C1CCC3C2CC=CC12 Tox21_303870 -NCGC00094969-05 196725190 tox21-ror-cho-viability-p1 set3 4 37.5780357627 -22.053846044 0.5 -21.553846044 4.9549173134 0.7124690196 0.0329024932 -2.12994133 -2.39047305 3.90402547 3.19648805 -3.13615045 4.04252735 4.05913376 -1.73160203 -0.7801624 1.98678135 -4.38325495 0.45512654 0.5965571 3.06561784 -17.96153837 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 117-37-3 2197 170465379 D Anisindione COc1ccc(cc1)C3C(=O)c2ccccc2C3=O Tox21_111370_1 -NCGC00258326-01 196724785 tox21-ror-cho-viability-p1 set3 -1.2 4.9348893071 -53.638445778 13.553935074 -40.084510704 4.9549173134 0.9545487218 0.0117958704 10.05731321 5.81104632 8.54408077 14.25410085 15.11494373 14.96367642 18.15020359 18.38559182 14.6827864 13.09136037 5.81041074 -42.15375892 -28.55137881 -9.37827643 -35.31920192 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.000001671 0.000003737 0.000008357 0.00001869 0.000041779999999 0.00009343 5153-67-3 5284459 144207970 A B (E)-beta-Nitrostyrene [O-][N+](=O)/C=C/c1ccccc1 Tox21_200772 -NCGC00260474-01 196724787 tox21-ror-cho-viability-p1 set3 4 0.243860226 -4.036918148 1.5 -2.536918148 3.0654483358 0.4284631274 0.2647360731 -2.44007628 2.22893489 1.49029008 3.95644541 1.86587516 1.46193677 1.2204755 -1.64311097 -1.96026088 -5.62343097 -6.69743179 2.52516281 -2.06102736 -2.49616473 1.78220645 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.00009231 5502-78-3 79639 144210126 A A 9-Methylguanine NC=2Nc1c(ncn1C)C(=O)N=2 Tox21_202928 -NCGC00357173-01 196724790 tox21-ror-cho-viability-p1 set3 4 0.0015355304 11.003134296 -9.003134296 2 4.9549173134 0.3255902322 0.3453482739 -6.66927858 2.2600161 7.39337822 0.14324824 3.38640587 3.61692325 4.53977845 -1.42154196 -0.18279647 1.97849374 -1.19469353 0.63217167 -1.34126133 -2.53469924 7.62477321 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1569-60-4 20745 251919874 A 6-Methylhept-5-en-2-ol C/C(C)=C\CCC(C)O Tox21_303934 -NCGC00254673-01 196699466 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -18.9768069679 1 -17.9768069679 4.9549173134 0.8519016518 0.0021576652 0.85776197 1.85022794 1.49473725 -1.45338543 1.89382941 3.58372764 -0.65495947 -1.38032477 0.73948861 1.18282776 1.84173396 1.03215013 1.48209066 3.33113209 -14.14733914 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-72-4 2871 144211086 A A Coumaphos CCOP(=S)(OCC)Oc1ccc2c(c1)OC(=O)C(Cl)=C2C Tox21_300769 -NCGC00094614-06 196723563 tox21-ror-cho-viability-p1 set3 4 37.5780357627 -23.449549072 3.5 -19.949549072 4.9549173134 0.5186083926 0.1620761902 5.43935074 5.42822179 1.55302907 5.64096515 5.74046211 -0.0364306 7.17264673 3.85067611 -10.29908651 6.53281533 8.71610895 1.80705355 1.12569185 4.10125636 -14.95795756 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 88-04-0 2723 170465503 Ac 4-Chloro-3,5-dimethylphenol Oc1cc(C)c(Cl)c(C)c1 Tox21_111305_1 -NCGC00016786-15 196723140 tox21-ror-cho-viability-p1 set3 1.2 1.333319023 34.33550725 -18.928131407 15.407375843 4.9549173134 0.7493385063 0.0196183466 -16.04013932 -18.98870193 -12.64216836 -12.73233429 -13.38453302 -32.45839956 -3.50835302 -20.47091311 -22.94426802 -36.37521578 22.69854265 9.98829252 11.48438146 11.80921596 19.0469351 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 24280-93-1 446541 170465182 A Mycophenolic acid O=C(O)CCC(\C)=C\Cc1c(O)c2C(=O)OCc2c(C)c1OC Tox21_110610_1 -NCGC00016279-05 196723144 tox21-ror-cho-viability-p1 set3 4 33.4914596268 25.645444476 -11.645444476 14 4.9549173134 0.4828777782 0.1936596957 -12.10126532 -15.72847904 -7.89340906 -27.62120373 -6.46623518 -17.56525481 -10.47121729 -12.93436117 -3.38206089 -7.17899356 -8.71505778 -8.57874113 -12.78025244 -8.98312721 9.79250954 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61-78-9 2148 170465155 A Aminohippuric acid O=C(NCC(=O)O)c1ccc(N)cc1 Tox21_110345_1 -NCGC00093347-05 196723558 tox21-ror-cho-viability-p1 set3 4 0.0530803864 -9.7280015639 6 -3.7280015639 1.9673362061 0.3991106888 0.2725578755 2.50148571 11.33717916 -2.73638036 14.10527258 2.58519574 6.27088252 -4.01307061 1.45368062 -5.52888998 -8.0187915 0.83837142 2.23737821 -8.94145717 2.20532266 -11.85666797 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72-33-3 6291 170465357 F Mestranol COc3cc4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@@]1(O)C#C)c4cc3 Tox21_111200_1 -NCGC00091284-03 196723564 tox21-ror-cho-viability-p1 set3 -2.1 68.5896218971 -83.0875654999 -0.311304552 -83.3988700519 3.2974983358 0.8447137424 0.0026314282 0.3541998 -5.88433074 3.77094081 -3.30513536 4.7845246 -0.59555865 -2.48751614 20.54007427 -5.31552173 -8.85932708 2.5083661 -0.57603792 -8.13420113 -13.27706262 -62.57297125 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00263539-01 196723566 tox21-ror-cho-viability-p1 set3 4 14.9600854925 10.8144462159 -2.8144462159 8 1.24751 0.3753372066 0.2965795044 0.08741636 -0.51908659 -0.87582963 -0.38830722 -2.61544879 -9.80836006 -11.92870518 0.27588165 -0.39634072 -2.09411747 -4.96805744 1.48254344 0.39276628 2.81967645 6.62357817 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 146939-27-7 60854 170465342 A Ziprasidone O=C4Cc5cc(CCN1CCN(CC1)c3nsc2ccccc23)c(Cl)cc5N4 Tox21_112194_1 -NCGC00179240-04 196723572 tox21-ror-cho-viability-p1 set3 4 0.2371013766 5.0523757999 -1.0523757999 4 4.9549173134 0.4495539612 0.2264262893 -1.28025108 -0.40060403 -1.84193246 -1.71464989 0.27852821 -1.05382683 -0.87984836 -1.77282794 5.06556485 -1.35154609 7.80582501 5.55760032 -2.5436465 5.07088571 8.00264825 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79547-78-7 54384 170465061 A Levocabastine hydrochloride Cl.Fc1ccc(cc1)[C@@]2(CC[C@H](CC2)N3CC[C@@]([C@H](C)C3)(c4ccccc4)C(=O)O)C#N Tox21_110695_1 -NCGC00260111-01 196723971 tox21-ror-cho-viability-p1 set3 4 -6.62798172 -0.03899772 0.52682645 -5.43180671 -9.17070319 4.89964273 5.57254947 -2.10331602 -8.20742712 -6.91019295 1.15745416 -0.38914262 -4.66293752 -3.55211214 1.75650748 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.9719999999E-8 6.6449999999E-8 1.486E-7 3.3219999999E-7 7.429E-7 0.0000016609999999 0.0000037149999999 0.0000083059999999 0.00001857 0.00004153 0.00009287 2524-03-0 17304 144209760 F Ac O,O-Dimethyl chlorothiophosphate ClP(=S)(OC)OC Tox21_202562 -NCGC00260488-01 196723977 tox21-ror-cho-viability-p1 set3 4 8.6085846732 -12.136635984 6.5 -5.636635984 4.9549173134 0.5537409137 0.1324652732 -5.11166976 4.92486463 1.2490206 8.08627803 8.27142111 6.97725158 9.27813783 8.30663223 6.60849767 9.32185576 12.37205552 0.34465982 -11.36386332 -2.36611395 -3.17767035 1.177E-9 2.6319999999E-9 5.884E-9 1.316E-8 2.942E-8 6.579E-8 1.471E-7 3.29E-7 7.356E-7 0.000001645 0.0000036779999999 0.000008224 0.00001839 0.000041119999999 0.000091939999999 723-62-6 2201 144210140 A A 9-Anthracenecarboxylic acid O=C(O)c2c3ccccc3cc1ccccc12 Tox21_202942 -NCGC00091830-04 196723979 tox21-ror-cho-viability-p1 set3 4 0.1087072248 -7.5966257719 6 -1.5966257719 4.0949729863 0.5593659048 0.1284568319 -1.10304133 5.51452392 6.05310703 9.42422698 10.06624723 4.30885815 0.59258134 -2.71671198 0.51767854 3.23695071 -1.17638349 -0.95617885 -2.51338109 -1.11640409 -7.16385481 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00091261-03 196721758 tox21-ror-cho-viability-p1 set3 4 -6.32035981 -6.91966124 1.01557951 0.73203583 -2.71024781 -4.86862871 -5.73165403 -4.92404988 -6.41244222 -2.44366909 -4.95385429 -4.69093886 -4.68082824 -4.81653985 -13.42576208 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00259174-01 196721760 tox21-ror-cho-viability-p1 set3 4 -2.99320372 4.1038242 -6.95080907 0.36776498 5.64962677 0.44394502 0.58390475 1.39079591 -0.88507005 -1.16024854 2.31162589 -0.69616786 2.30442225 1.45365477 0.69991157 1.1999999999E-9 2.684E-9 6.001E-9 1.3419999999E-8 3E-8 6.7089999999E-8 1.5E-7 3.355E-7 7.5009999999E-7 0.000001677 0.0000037509999999 0.000008387 0.00001875 0.00004193 0.00009376 123-96-6 20083 144208823 A A 2-Octanol CC(O)CCCCCC Tox21_201625 -NCGC00259346-01 196721752 tox21-ror-cho-viability-p1 set3 4 31.0433465046 9.0941758719 -4.5941758719 4.5 4.9549173134 0.6382239922 0.0721684494 -6.34815432 -3.45535456 -6.06167178 1.77326602 -5.83343585 -4.89579376 -3.22588005 -4.49457211 -6.74514656 -3.63655019 -5.31035022 -6.45656327 -6.08267974 3.92984189 3.50176648 1.193E-9 2.667E-9 5.963E-9 1.333E-8 2.982E-8 6.6669999999E-8 1.491E-7 3.3339999999E-7 7.4539999999E-7 0.0000016669999999 0.0000037269999999 0.0000083339999999 0.00001864 0.00004167 0.00009318 69806-40-2 50896 144208995 A A Haloxyfop-methyl O=C(OC)C(C)Oc1ccc(cc1)Oc2ncc(cc2Cl)C(F)(F)F Tox21_201797 -NCGC00259562-01 196721754 tox21-ror-cho-viability-p1 set3 4 -10.2397482 -1.34863441 0.09311333 5.62303515 -2.08261389 -4.91274165 -9.17855109 -6.62044133 -10.40706362 -0.41709022 -5.23633131 -1.35144325 -4.03098548 4.97039198 -3.02629186 1.198E-9 2.679E-9 5.992E-9 1.34E-8 2.996E-8 6.6989999999E-8 1.4979999999E-7 3.3489999999E-7 7.4889999999E-7 0.000001675 0.000003745 0.000008373 0.000018719999999 0.00004187 0.00009362 3033-62-3 18204 144209211 A Ac Bis[2-(dimethylamino)ethyl]ether CN(C)CCOCCN(C)C Tox21_202013 -NCGC00259196-01 196722163 tox21-ror-cho-viability-p1 set3 4 16.5478956425 9.9087587601 0.0912412399 10 1.826479391 0.5849685178 0.1087634104 -1.11078514 -4.0906323 8.57641836 1.01661998 -0.90904459 0.83351271 -1.46915975 1.25682745 -1.36327972 0.53121694 -0.53643532 3.22969619 4.67961776 9.6438601 9.08341749 1.141E-9 2.552E-9 5.707E-9 1.276E-8 2.854E-8 6.381E-8 1.4269999999E-7 3.19E-7 7.134E-7 0.000001595 0.000003567 0.000007976 0.00001784 0.00003988 0.00008918 102-27-2 7603 144208845 A A N-Ethyl-3-methylaniline CCNc1cc(C)ccc1 Tox21_201647 -NCGC00259547-01 196722166 tox21-ror-cho-viability-p1 set3 2.2 54.98170782 63.9748746039 -2.9773778799 60.997496724 3.5722481694 0.9548510387 0.0000047988 -3.63808812 -1.48139921 5.21058906 -5.50861882 -0.89134204 -6.55472296 -6.6478149 -5.80183225 -5.60514153 -3.50404403 -3.52551964 1.59651483 -2.44743895 14.85361252 52.4485262 1.189E-9 2.6589999999E-9 5.945E-9 1.3289999999E-8 2.9719999999E-8 6.647E-8 1.486E-7 3.323E-7 7.4309999999E-7 0.000001662 0.000003716 0.0000083079999999 0.000018579999999 0.00004154 0.00009289 66-71-7 1318 144209196 A A 1,10-Phenanthroline c1ccnc3c1ccc2cccnc23 Tox21_201998 -NCGC00258955-01 196722171 tox21-ror-cho-viability-p1 set3 -3 60.5714923824 -118.6816904335 6.8913108148 -111.7903796187 4.9549173134 0.7136938849 0.0321395667 -2.86711646 -2.94791948 -2.75372746 1.56268771 -2.25638512 -4.39975099 -3.34249592 -1.13115821 -1.43769648 -3.5693213 29.50324105 54.87691597 27.55097706 -7.60324368 -98.26332436 1.171E-9 2.617E-9 5.8529999999E-9 1.3089999999E-8 2.926E-8 6.543E-8 1.463E-7 3.2719999999E-7 7.316E-7 0.0000016359999999 0.000003658 0.0000081789999999 0.00001829 0.0000409 0.00009145 55-56-1 9552079 144208602 A A Chlorhexidine Clc2ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)cc2 Tox21_201404 -NCGC00259240-01 196722174 tox21-ror-cho-viability-p1 set3 4 27.2504920471 10.213155532 -3.213155532 7 4.9549173134 0.5989450203 0.0983815884 -3.07567681 -0.04774355 0.18766096 -7.67762961 -5.88717696 -1.94715233 -5.36530341 -5.21706465 -5.54070047 0.71498259 -2.876642 0.7891511 -3.24763629 7.93282681 5.31388519 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018399999999 0.00004115 0.000092019999999 590-01-2 11529 144208889 FC Butyl propionate CCC(=O)OCCCC Tox21_201691 -NCGC00263525-01 196722566 tox21-ror-cho-viability-p1 set3 -1.2 4.7307944147 -40.4338086019 1.4049493579 -39.028859244 2.3331733767 0.9223981826 0.0000881758 3.27980827 8.53561368 -0.76692146 -1.73516163 -1.70362134 2.50941498 6.14975225 -1.54404407 0.2529565 -1.05907903 -4.99642633 -9.47776384 -37.35390749 -43.36539916 -30.81898517 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 93957-55-2 23663976 170465409 A Fluvastatin sodium [Na+].[O-]C(=O)C[C@H](O)C[C@H](O)/C=C/c2c(c1ccccc1n2C(C)C)c3ccc(F)cc3 Tox21_112226_1 -NCGC00181761-01 196722575 tox21-ror-cho-viability-p1 set3 2.4 33.4914596268 27.552990024 2.447009976 30 2.7867712143 0.755715132 0.0178873678 5.72843501 0.3653913 -0.56823423 1.18179176 2.90358076 -0.03417991 -1.71082502 -1.08815151 6.65793246 8.94043097 1.28005037 2.92237719 3.20339577 7.92660631 22.08641885 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 9066-59-5 144206496 A A Lysozyme hydrochloride Tox21_112943 -NCGC00016801-05 196722576 tox21-ror-cho-viability-p1 set3 4 33.4914596268 14.9013585479 -1.9013585479 13 4.9549173134 0.5983949197 0.0988719469 -0.94123815 -2.47453625 0.15334292 2.03325319 -6.18301062 -7.41779879 0 0 0.50987919 -3.96265551 -1.23143265 -0.49140919 -4.1021269 -2.22084781 10.61503176 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27912-14-7 5284409 170464743 A Levobunolol hydrochloride Cl.CC(C)(C)NC[C@H](O)COc2cccc1c2CCCC1=O Tox21_110617_1 -NCGC00260528-01 196724275 tox21-ror-cho-viability-p1 set3 4 0.1937050628 5.760953696 -4.760953696 1 0.8999999999 0.4674543996 0.2272723189 -0.73862647 -6.61027632 -6.88412808 -5.70710694 -1.57814452 -4.81529806 -1.43203666 -0.38276157 -0.85533139 -1.46541236 1.8325159 2.32469275 -4.17651914 4.94187111 -1.99464712 1.182E-9 2.6429999999E-9 5.91E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.304E-7 7.387E-7 0.0000016519999999 0.000003693 0.000008259 0.000018469999999 0.00004129 0.00009234 13674-84-5 26176 144210180 A B Tris(2-chloroisopropyl)phosphate ClCC(C)OP(=O)(OC(C)CCl)OC(C)CCl Tox21_202982 -NCGC00260241-01 196724677 tox21-ror-cho-viability-p1 set3 4 6.1939619411 6.753491204 -5.753491204 1 4.9549173134 0.4915973537 0.1871767747 -0.54780021 -7.82525956 -6.40128327 -6.20604473 -7.40979516 -4.38980366 -2.3409118 -9.8421599 -5.13006563 -2.2440037 -10.21124267 1.91969667 -2.03161826 0.31661908 3.1136978 1.193E-9 2.6679999999E-9 5.967E-9 1.3339999999E-8 2.9829999999E-8 6.671E-8 1.4919999999E-7 3.3359999999E-7 7.458E-7 0.000001668 0.0000037289999999 0.000008339 0.00001865 0.000041689999999 0.00009323 203389-28-0 2734180 144209891 FNS 1-Butylpyridinium tetrafluoroborate F[B-](F)(F)F.CCCC[n+]1ccccc1 Tox21_202693 -NCGC00260092-01 196724680 tox21-ror-cho-viability-p1 set3 4 0.0219549022 5.159971332 -4.159971332 1 4.9549173134 0.3271710663 0.3431922745 -6.60242812 -0.33605589 -3.81064893 -6.79997611 0.94447116 4.73655484 6.76434761 2.29880701 -5.53757886 -1.48794665 -0.86603117 -2.73949029 0.95067607 0.15972792 5.89606844 1.1919999999E-9 2.6649999999E-9 5.96E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.332E-7 7.45E-7 0.0000016659999999 0.000003725 0.000008329 0.00001862 0.00004164 0.00009312 79-01-6 6575 144209741 Fns Trichloroethylene Cl\C=C(/Cl)Cl Tox21_202543 -NCGC00090773-04 196724690 tox21-ror-cho-viability-p1 set3 4 -0.45460408 4.37719084 1.94451506 -1.72586474 3.20503053 5.98811733 3.4353719 -1.03814214 2.11101577 0.77100305 0.71009714 6.49776251 3.09990438 2.63431962 7.61220019 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.0000016739999999 0.000003742 0.000008368 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00357080-01 196724693 tox21-ror-cho-viability-p1 set3 1.4 0.0205877899 21.9809747319 -17.9809747319 4 0.3999999999 0.8194174493 0.0051658215 -19.98414561 -7.19945671 -10.39991468 -12.08396953 -8.43875703 -10.11873304 -8.53793282 -1.90830787 -1.68743346 0.1305995 -3.08572388 2.85113154 2.51072665 2.76218927 1.19677014 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 18794-84-8 5281517 251919811 Fns trans-beta-Farnesene C/C(C)=C\CCC(\C)=C\CCC(=C)C=C Tox21_303792 -NCGC00091426-02 196728110 tox21-ror-cho-viability-p1 set3 4 2.11368542 3.00151417 -3.88742533 -1.90723704 0.42275054 7.59060475 4.92824359 2.30962428 2.42780562 2.91370207 2.93896945 -2.82840975 0.304481 -0.55855744 -2.74170815 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00255438-01 196710639 tox21-ror-cho-viability-p1 set2 4 -5.25319203 -1.27034626 -2.12552125 -3.37062324 -0.68113766 -1.47107455 1.79816636 0.80319245 -0.55781914 0.52146055 -0.60577602 1.05652855 -0.49847477 0.25919414 1.97628851 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1196-01-6 92874 144211748 A Ac L-Verbenone CC2(C)[C@H]1C[C@@H]2C(=O)C=C1C Tox21_301431 -NCGC00160537-04 196710633 tox21-ror-cho-viability-p1 set2 4 27.3060203028 -13.8838127279 -0.5 -14.3838127279 2.3331733767 0.8553995283 0.0019284384 1.26944766 -0.00599934 -2.55505537 2.1777402 -2.04008759 -0.83780442 -1.11312983 0.5828721 1.03069002 2.29999138 -2.97994501 -2.77808275 -2.98141389 -11.8311335 -12.81984394 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00255676-01 196710636 tox21-ror-cho-viability-p1 set2 4 68.5198756601 15.900831508 0.099168492 16 4.0949729863 0.7945026454 0.0090796134 0.9743329 -0.94067454 -0.53393592 0.11600355 2.27238815 -3.66735959 -0.7882177 0.86925822 -1.68579619 -1.79172935 1.98615511 1.98090475 0.91216385 1.70539379 12.3145365 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 140-39-6 8797 144212667 A A 4-Tolyl acetate O=C(C)Oc1ccc(C)cc1 Tox21_302350 -NCGC00255543-01 196710644 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -16.003220732 1 -15.003220732 4.9549173134 0.6923002959 0.0421365606 1.99621475 3.07450234 1.86744622 -1.69239347 -0.99644325 -0.20182553 3.70593031 3.53041582 -1.85281449 -1.02105902 -1.48358386 3.63774494 1.75298571 2.67418125 -11.66935061 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 137-66-6 54680660 144212243 A Ascorbyl palmitate OC=1C(=O)O[C@H]([C@@H](O)COC(=O)CCCCCCCCCCCCCCC)C=1O Tox21_301926 -NCGC00255689-01 196711055 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -36.526839968 0 -36.526839968 4.9549173134 0.9282952012 0.0000585816 -3.81621876 -1.14325464 -0.31269753 -0.74365972 -0.71137707 -3.60619328 1.02859795 1.3022262 -2.58731204 1.00525213 2.43623227 -0.31088 0.93429263 1.10307462 -30.02236664 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3236-71-3 76716 144211901 A A 4,4'-(9H-Fluorene-9,9-diyl)diphenol Oc1ccc(cc1)C4(c2ccccc2c3ccccc34)c5ccc(O)cc5 Tox21_301584 -NCGC00015675-08 196711058 tox21-ror-cho-viability-p1 set2 4 1.73058554 0.09968667 0.20934678 -1.48116833 0.36135148 -2.48102512 -1.78634462 -2.73768626 -2.61069665 0.83044799 5.91003399 -1.42868023 -2.15292803 -2.8072138 3.51885801 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00255471-01 196711068 tox21-ror-cho-viability-p1 set2 4 -4.2935955 -2.06489388 0.12964155 -7.16152611 -2.40490309 -3.49988562 -2.58037217 -11.33355502 1.07017123 -3.02669383 -2.60758682 -4.960916 1.06499634 -1.43218927 1.61665752 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17040-19-6 28213 144211892 A A Demeton-S-methylsulphon O=S(=O)(CCSP(=O)(OC)OC)CC Tox21_301575 -NCGC00260471-01 196711462 tox21-ror-cho-viability-p1 set2 4 -0.20189302 -0.60780186 -0.65691982 -1.87704506 -1.92126995 2.26680618 0.03893704 0.71016556 3.42338503 -0.65524475 1.63819985 2.0648419 2.5861555 0.82502653 3.66028041 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 5401-94-5 21501 144210123 A A 5-Nitroindazole [O-][N+](=O)c1cc2cnnc2cc1 Tox21_202925 -NCGC00356952-01 196711467 tox21-ror-cho-viability-p1 set2 4 30.6378586933 17 2 19 0.3 0.6206741261 0.0836324886 0.75645321 3.72427919 4.42507875 4.6565971 3.65967166 5.1603703 4.84860991 7.13501099 9.12999161 7.69645711 5.82917106 6.13332493 5.05251494 11.58841655 15.62408215 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 136-85-6 8705 251919741 F 5-Methyl-1H-benzotriazole Cc1cc2nnnc2cc1 Tox21_303925 -NCGC00260350-01 196711476 tox21-ror-cho-viability-p1 set2 4 3.24170204 3.41250823 3.54746128 4.49403118 4.46920192 4.66474735 4.41876076 4.92842561 9.43990898 7.11583385 1.47687105 8.48134 8.33812977 3.95956291 2.34326347 1.194E-9 2.6689999999E-9 5.969E-9 1.335E-8 2.9839999999E-8 6.6729999999E-8 1.4919999999E-7 3.337E-7 7.4609999999E-7 0.000001668 0.0000037309999999 0.000008342 0.00001865 0.00004171 0.00009326 14075-53-7 518872 144210002 Potassium tetrafluoroborate [K+].F[B-](F)(F)F Tox21_202804 -NCGC00255408-01 196711080 tox21-ror-cho-viability-p1 set2 4 0.8139657 2.59961849 -1.92057455 0.1575667 2.46709529 1.94980372 1.04626292 -1.22018274 -0.15637562 1.49545016 0.07663007 -0.72975407 2.7296405 1.97206566 3.98842038 6.901E-10 1.543E-9 3.4509999999E-9 7.716E-9 1.725E-8 3.858E-8 8.6269999999E-8 1.929E-7 4.313E-7 9.645E-7 0.000002157 0.000004822 0.000010779999999 0.000024109999999 0.00005392 80214-83-1 444037 144212152 A A Roxithromycin CN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)\C(=N\OCOCCOC)[C@H](C)C[C@@]2(C)O)[C@@H]3O Tox21_301835 -NCGC00255363-01 196710660 tox21-ror-cho-viability-p1 set2 4 4.14213976 5.26483629 6.48719212 -0.71129293 4.02068004 4.36127838 1.10171291 3.52505439 -0.59041828 4.25466476 -0.08052107 -0.05569299 -0.10828622 -0.22772871 -2.04978012 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1982-49-6 16116 144211742 B B Siduron O=C(NC1CCCCC1C)Nc2ccccc2 Tox21_301425 -NCGC00357038-01 196724545 tox21-ror-cho-viability-p1 set3 4 3.0637858693 9.260208008 -3.760208008 5.5 4.9549173134 0.7615115538 0.0163551942 -9.80017334 -3.44336609 -3.11163404 -2.30156525 -1.67330666 -0.49270717 -6.88720838 -2.21185938 -3.94498764 -5.66598133 3.76678255 3.65023815 6.93178264 3.91392304 5.95568488 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 615-20-3 11987 251919920 A 2-Chlorobenzothiazole Clc1nc2ccccc2s1 Tox21_303729 -NCGC00357010-01 196724548 tox21-ror-cho-viability-p1 set3 4 -3.3179554 2.55303758 -6.69993541 0.6125923 8.33541449 1.69737615 -0.49393859 -0.83863534 -6.60867503 -6.70642191 -0.00001002 -4.89493504 -5.15957807 1.29263297 5.29617756 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 19532-03-7 23672326 251919800 A Sodium 2-amino-5-sulfonaphthalene-1-sulfonate [Na+].O=S(=O)(O)c2cccc1c2ccc(N)c1S([O-])(=O)=O Tox21_303913 -NCGC00357199-01 196724552 tox21-ror-cho-viability-p1 set3 4 -2.99802908 -1.01197496 -1.08220482 -4.4327475 -2.9892993 -17.98675447 3.27374978 -3.61690009 -5.74680518 -5.9664888 -2.48657042 -4.88117316 -0.55848643 -6.5793149 -2.37835317 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-13-8 6871 251919960 A Diethyl ethoxymethylenemalonate O=C(OCC)C(=C\OCC)\C(=O)OCC Tox21_303975 -NCGC00259994-01 196724556 tox21-ror-cho-viability-p1 set3 4 40.8679663389 -16.981464384 -2 -18.981464384 1.0999999999 0.4717888045 0.2045666854 2.67603815 -8.35271531 -5.46590256 -10.45575739 -1.34203367 0.92377328 -2.13557935 1.24619901 -1.98555723 -0.99136265 -2.64902058 -7.65054858 -7.25639821 -6.95446867 -16.65122032 1.125E-9 2.516E-9 5.6259999999E-9 1.2579999999E-8 2.8129999999E-8 6.29E-8 1.4069999999E-7 3.1449999999E-7 7.033E-7 0.0000015729999999 0.000003516 0.000007863 0.000017579999999 0.00003931 0.000087909999999 34256-82-1 1988 144209643 A A Acetochlor ClCC(=O)N(COCC)c1c(C)cccc1CC Tox21_202445 -NCGC00260096-01 196724559 tox21-ror-cho-viability-p1 set3 4 0.0022199055 6.146171292 -2.646171292 3.5 4.9549173134 0.3233394803 0.3478094269 -0.29451124 -5.12180941 2.54016022 1.29370352 8.31988284 -0.73027219 7.38728659 2.40652984 2.07507276 7.35637069 5.38556236 0.04429122 2.96076613 3.19928257 -0.52012842 5.584E-10 1.249E-9 2.792E-9 6.243E-9 1.3959999999E-8 3.122E-8 6.98E-8 1.5609999999E-7 3.4899999999E-7 7.804E-7 0.000001745 0.000003902 0.0000087249999999 0.00001951 0.00004363 500-62-9 5281575 144209745 I I Yangonin COC=2C=C(/C=C/c1ccc(OC)cc1)OC(=O)C=2 Tox21_202547 -NCGC00260541-01 196724561 tox21-ror-cho-viability-p1 set3 4 0.0152259153 -6.1408699 5.5 -0.6408699 4.9549173134 0.4572257454 0.2356792179 0.09105432 0.7706465 9.93152704 7.61121042 2.43023285 5.98552378 10.64149341 -0.92403129 1.48851872 -1.16149473 2.08989653 -0.89420615 -1.33743405 -3.03405825 5.20199296 6.589E-11 1.473E-10 3.2939999999E-10 7.366E-10 1.647E-9 3.6829999999E-9 8.236E-9 1.842E-8 4.118E-8 9.2079999999E-8 2.0589999999E-7 4.6039999999E-7 0.0000010289999999 0.000002302 0.000005147 137-16-6 23668817 144210194 F Sodium [dodecanoyl(methyl)amino]acetate [Na+].O=C(CCCCCCCCCCC)N(C)CC([O-])=O Tox21_202996 -NCGC00357161-01 196724954 tox21-ror-cho-viability-p1 set3 4 -6.31233937 -2.74354112 -1.03294395 -1.22028722 6.22448751 -1.27512247 -3.6309156 -3.35164731 -3.34119179 -1.33590193 -1.15645711 -1.28170764 -3.28480147 -0.84193321 -2.97793346 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-97-7 8027 251919652 A Pyrrole c1cccn1 Tox21_303910 -NCGC00255730-01 196701350 tox21-ror-cho-viability-p1 set1 4 1.36259009 0.14900883 0.13032672 -1.59850275 -4.70464508 0.19188349 1.45951125 -9.70439649 -1.48357507 -0.85593043 -7.33316793 1.60017683 -6.27809878 1.28067421 -0.15315011 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-87-8 8995 144211808 A A 3-[Ethyl(phenyl)amino]propanenitrile CCN(CCC#N)c1ccccc1 Tox21_301491 -NCGC00255762-01 196700938 tox21-ror-cho-viability-p1 set1 4 -6.79099787 -0.58237976 -1.7875264 -2.79485448 -3.27247712 -13.09025787 -8.63908793 -2.30282919 -17.86787504 0.57847763 -12.0255418 -3.66026996 -6.85634151 -0.78048428 -1.81264345 8.075E-10 1.806E-9 4.0379999999E-9 9.028E-9 2.0189999999E-8 4.514E-8 1.009E-7 2.257E-7 5.047E-7 0.000001129 0.000002524 0.0000056429999999 0.00001262 0.00002821 0.00006309 145701-23-1 11700495 144212750 A A Florasulam Fc3cccc(F)c3NS(=O)(=O)c1nc2c(F)cnc(OC)n2n1 Tox21_302433 -NCGC00091532-04 196700952 tox21-ror-cho-viability-p1 set1 -2.2 61.8773215692 -49.9045376641 -0.2702200939 -50.174757758 3.6272481694 0.9603868974 0.0000023257 0.69969893 -2.83162378 -0.80777203 -0.05342601 -0.34739896 6.66071779 -1.97478023 -1.8040362 -1.04657681 0.58082702 -1.16549151 -0.4718633 0.68212069 -10.33236942 -41.04148315 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00015675-08 196701351 tox21-ror-cho-viability-p1 set1 4 3.44963943 1.16318689 3.34140769 0.23557637 1.18426802 3.07347224 0.06135975 6.78408613 0.60626373 5.67640376 1.68095099 2.61869623 2.91248773 0.71806055 0.71466707 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00090701-06 196701353 tox21-ror-cho-viability-p1 set1 4 -0.86130584 -4.04296934 -2.28340465 -2.70324327 -6.15076321 0.85567079 -0.63120074 -4.03790541 -3.33065287 -0.82129047 -2.56237533 -4.75897716 -1.44955526 -3.17705059 -7.03355883 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00256154-01 196701358 tox21-ror-cho-viability-p1 set1 4 -1.72946793 -1.8217899 0.75151628 0.64863488 0.73956753 -2.06080229 1.27640806 -3.33468969 2.59334444 0.64122699 -0.62619695 0.12959615 0.58313212 0.10914456 -3.47079465 1.074E-9 2.4019999999E-9 5.371E-9 1.201E-8 2.685E-8 6.005E-8 1.343E-7 3.002E-7 6.7129999999E-7 0.000001501 0.000003357 0.000007506 0.00001678 0.00003753 0.00008392 120-18-3 8420 144211974 A A Naphthalene-2-sulfonic acid O=S(=O)(O)c1ccc2ccccc2c1 Tox21_301657 -NCGC00258562-01 196702570 tox21-ror-cho-viability-p1 set1 4 5.655957695 -28.111342132 -2.5 -30.611342132 0.2 0.38952305 0.2817695496 -5.00573876 -6.91230362 -12.13340725 -2.47693005 -16.35711341 -9.61467084 -15.86972024 -16.42783922 0.57601494 -17.93875913 -20.84947413 -13.46904404 -15.95963864 -15.93974523 -26.34278511 1.106E-9 2.4729999999E-9 5.531E-9 1.237E-8 2.765E-8 6.183E-8 1.383E-7 3.0919999999E-7 6.913E-7 0.0000015459999999 0.0000034569999999 0.000007729 0.00001728 0.00003865 0.00008641 101-53-1 7563 144208207 A A 4-Benzylphenol Oc2ccc(Cc1ccccc1)cc2 Tox21_201009 -NCGC00357024-01 196703806 tox21-ror-cho-viability-p1 set1 4 -3.68735121 -0.8124346 -0.25545863 -0.19908635 -3.54905014 -5.9837158 -0.47213538 0.73014446 -0.36256642 -0.06993842 -0.08501977 -6.62651044 -5.3570896 -3.67971657 -6.26939114 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13759-92-7 57433782 251919865 Europium(III) chloride hexahydrate O.O.O.O.O.O.Cl[Eu](Cl)Cl Tox21_303707 -NCGC00260523-01 196703809 tox21-ror-cho-viability-p1 set1 4 1.4747202104 -11.904110992 2.5 -9.404110992 4.9549173134 0.8205281412 0.0050436325 5.47429291 3.14722362 7.80785472 0.58833261 0.42727649 0.8556724 4.62183767 -0.05760469 -0.90273968 0.39869633 2.09740753 -8.81835678 -8.83475214 -7.97262584 -10.33675916 2.9779999999E-10 6.658E-10 1.489E-9 3.329E-9 7.4439999999E-9 1.665E-8 3.722E-8 8.323E-8 1.8609999999E-7 4.161E-7 9.3049999999E-7 0.000002081 0.0000046529999999 0.0000104 0.00002326 10102-18-8 24934 144210175 Sodium selenite [Na+].[Na+].[O-][Se]([O-])=O Tox21_202977 -NCGC00253688-01 196704209 tox21-ror-cho-viability-p1 set1 4 1.61055174 5.35884805 5.89321047 1.00823325 2.87931998 1.02762539 6.14807155 4.91427245 1.63465947 1.52075355 0.8138944 4.21074538 6.90477433 4.67339092 1.37685743 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1028-33-7 70569 170466365 A A Pentifylline O=C2c1n(C)cnc1N(C)C(=O)N2CCCCCC Tox21_113810 -NCGC00258126-01 196702155 tox21-ror-cho-viability-p1 set1 4 -0.80725741 0.44822645 -9.49918609 2.61316776 -0.93147644 -0.76353875 -0.92916835 -2.00684647 -1.77395575 -2.13514808 -2.15787991 2.33801524 -2.57131505 -4.59285604 -7.45990781 1.164E-9 2.602E-9 5.818E-9 1.301E-8 2.909E-8 6.5039999999E-8 1.454E-7 3.252E-7 7.2719999999E-7 0.0000016259999999 0.000003636 0.00000813 0.00001818 0.00004065 0.0000909 100-14-1 7482 144207770 D 4-Nitrobenzyl chloride O=[N+]([O-])c1ccc(CCl)cc1 Tox21_200572 -NCGC00258545-01 196702169 tox21-ror-cho-viability-p1 set1 4 105.9493706009 -22.243735064 -3.5 -25.743735064 0.4 0.3829152123 0.2886554972 -4.49836088 0.97219608 -8.5720727 2.95147264 -11.27537525 -3.95081666 -8.51197772 -3.77273834 -4.21262115 -10.09166494 -3.84517977 -12.55611879 -13.33425274 -5.58494601 -18.11977922 1.155E-9 2.583E-9 5.775E-9 1.291E-8 2.8879999999E-8 6.457E-8 1.444E-7 3.2279999999E-7 7.2189999999E-7 0.000001614 0.0000036089999999 0.000008071 0.000018049999999 0.00004035 0.000090239999999 5131-58-8 21208 144208190 A A 4-Nitro-1,3-benzenediamine O=[N+]([O-])c1ccc(N)cc1N Tox21_200992 -NCGC00258571-01 196702571 tox21-ror-cho-viability-p1 set1 4 19.3901734335 -15.1512435559 -2 -17.1512435559 0.5 0.4041348516 0.268300224 -0.2288664 -4.90740867 4.01047304 -3.33968152 -5.22520703 -10.56468932 -0.20742808 -4.38166925 2.9087272 -4.78551082 -5.54825528 -15.95936963 -6.84949295 -10.89200547 -11.67384948 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004133 0.000092409999999 62-31-7 65340 144208216 A A Dopamine hydrochloride Cl.Oc1ccc(CCN)cc1O Tox21_201018 -NCGC00258052-01 196702580 tox21-ror-cho-viability-p1 set1 4 27.8901987353 -13.165706556 4 -9.165706556 1.4163171 0.3261888486 0.3592158273 3.87720766 0.12768931 6.81391162 4.50441031 1.04197577 0.39775995 1.82259958 7.52032994 13.10903481 2.2649614 0.96105962 -0.13817538 2.61309731 -5.97142213 7.11517536 1.2009999999E-9 2.6849999999E-9 6.0039999999E-9 1.3429999999E-8 3.002E-8 6.7129999999E-8 1.501E-7 3.356E-7 7.505E-7 0.0000016779999999 0.0000037519999999 0.000008391 0.00001876 0.00004195 0.00009381 1072-53-3 14075 144207696 FNS Ethylene glycol, cyclic sulfate O=S1(=O)OCCO1 Tox21_200498 -NCGC00163927-04 196702987 tox21-ror-cho-viability-p1 set1 4 0.0015715158 9.804335244 -8.804335244 1 4.9549173134 0.593209521 0.1043968057 -6.92027937 1.1291582 3.68069444 2.68110443 1.41742009 -0.23800952 1.44441578 -1.14178122 0.55175565 2.4322526 -0.01557951 -1.07065989 0.08595601 4.76224953 -0.25776794 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00357136-01 196703003 tox21-ror-cho-viability-p1 set1 4 -0.86953292 -1.6487645 0.29346745 -0.77863513 0.79503256 -1.37278864 -2.18069452 -2.06462895 -0.00321173 2.86554738 -0.09054755 0.57710091 2.19664089 2.2707505 2.02008381 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5694-00-8 91550 251919703 A Glycidamide NC(=O)C1CO1 Tox21_303874 -NCGC00357094-01 196703007 tox21-ror-cho-viability-p1 set1 -2.4 61.130564862 -35.19573212 1 -34.19573212 1.3987170999 0.6862286975 0.0445071017 8.31435638 1.60936962 5.75589185 -1.70131974 -8.66449589 1.30542652 -1.88911206 -0.01681203 5.53740745 2.83659681 -0.96339075 1.16792331 -11.13954188 -6.44358321 -25.1631101 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2648-61-5 72870 251919892 F 2,2-Dichloro-1-phenylethanone O=C(C(Cl)Cl)c1ccccc1 Tox21_303816 -NCGC00357085-01 196703411 tox21-ror-cho-viability-p1 set1 4 -5.73339979 -7.53177619 -15.03229913 -0.71702934 -13.42814539 -12.45475909 -20.15809347 -15.71717518 -15.19034893 -10.87368577 -9.56459746 -10.21985678 -10.89988693 -12.01177196 -6.37464115 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-91-1 7113 251919971 A 4'-Acetylbiphenyl O=C(C)c1ccc(cc1)c2ccccc2 Tox21_303801 -NCGC00260246-01 196703424 tox21-ror-cho-viability-p1 set1 4 5.1573965 4.47768829 2.25383342 2.15429905 0.50960605 0.31713708 -0.80352745 1.76962869 1.85868398 5.51207318 0.89587069 0.62652056 7.83521932 0.18444089 3.52797407 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.00009229 350-48-1 12077313 144209896 A A 1-Ethylpyridinium tetrafluoroborate F[B-](F)(F)F.CC[n+]1ccccc1 Tox21_202698 -NCGC00167832-06 196713100 tox21-ror-cho-viability-p1 set2 -2.4 26.6032120037 -32.785733968 1.5 -31.285733968 2.2481167061 0.9384260057 0.0000261258 -0.72631381 0.56132396 7.07700953 1.83654978 0.28385075 2.24835386 0.45649353 0.72625711 -0.24701499 1.76750605 1.5920834 0.42715446 -0.77773023 -10.20699718 -23.98811164 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_45916 16667700 170465440 A Carvedilol tartrate O=C(O)C(O)C(O)C(=O)O.COc4ccccc4OCCNCC(O)COc2cccc3nc1ccccc1c23 Tox21_111431_1 -NCGC00254807-01 196715135 tox21-ror-cho-viability-p1 set2 4 0.38033158 -0.98138407 -1.12629628 -0.53831019 -0.43684463 -1.01913621 -0.66339155 -0.84750042 0.73193621 -0.72507194 0.71914902 -0.0953506 0.28994824 0.21948777 0.02209159 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10042-59-8 24847 144211220 A A 2-Propyl-1-heptanol CCCCCC(CCC)CO Tox21_300903 -NCGC00254543-01 196715147 tox21-ror-cho-viability-p1 set2 4 -1.61059507 0.30999182 -0.23765046 -0.50127093 -0.32462362 -0.99075661 -0.96778666 -0.43256561 -1.73249302 0.21716358 -1.26572819 0.35281339 2.99817706 4.40541065 0.79540675 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6055-19-2 22420 144210847 A Ac Cyclophosphamide monohydrate O.O=P1(NCCCO1)N(CCCl)CCCl Tox21_300529 -NCGC00254633-01 196715152 tox21-ror-cho-viability-p1 set2 4 0.39918202 -3.60411727 -2.58054127 -8.96329649 -6.97406993 -2.29406075 -6.74714782 -4.28754155 -10.03881161 -3.26909717 -3.14411096 -3.28435749 -7.71769001 -3.98823376 -7.89852584 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 759-94-4 12968 144211044 A A EPTC CCCN(CCC)C(=O)SCC Tox21_300727 -NCGC00165846-04 196713080 tox21-ror-cho-viability-p1 set2 4 23.7101376556 -28.6876570599 2 -26.6876570599 1.372261 0.9215749723 0.000093905 1.78318409 6.48041141 2.28917923 3.54031222 2.97401926 2.20146631 -0.10634011 0.7146171 -0.45797879 0.11236648 0.39406703 0.21258124 -4.7375272 -9.18002097 -19.32304755 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82752-99-6 54911 170465078 A Nefazodone hydrochloride Cl.Clc1cccc(c1)N4CCN(CCCN3N=C(CC)N(CCOc2ccccc2)C3=O)CC4 Tox21_111735_1 -NCGC00164246-05 196713083 tox21-ror-cho-viability-p1 set2 4 0.0066824247 -9.599755916 10.5 0.900244084 1.4641 0.720056862 0.0300741025 9.46876194 11.65255416 6.60210393 4.95909091 6.74121042 -1.33312993 0.5487629 0.71875632 -0.5501354 -0.43565977 6.19383868 -1.07441211 0.66240716 1.22314998 1.70437086 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69-65-8 6251 170465566 Z D-Mannitol O[C@H]([C@H](O)CO)[C@H](O)[C@H](O)CO Tox21_112092_1 -NCGC00016012-12 196713098 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -11.3145276679 0.5 -10.8145276679 4.9549173134 0.6999466751 0.039146794 -1.64372113 -1.23038453 -1.4352928 3.0409414 3.13624813 0.74927395 0.92370438 0.99129362 -0.89606434 1.17328836 -1.18975167 -0.5168567 0.86468437 1.26620882 -9.01210639 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1098-60-8 66069 170465325 A Triflupromazine hydrochloride Cl.FC(F)(F)c1cc2N(CCCN(C)C)c3ccccc3Sc2cc1 Tox21_111276_1 -NCGC00167845-02 196713495 tox21-ror-cho-viability-p1 set2 4 3.76228027 3.7022177 0.5644518 0.17912124 0.01911663 1.10051693 2.80031469 1.37309472 3.01403664 1.03784811 -0.30137439 1.07360866 1.01705779 -0.11219895 3.99198749 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79-43-6 6597 170466805 F Dichloroacetic acid ClC(Cl)C(=O)O Tox21_111133_1 -NCGC00179511-03 196713506 tox21-ror-cho-viability-p1 set2 4 0.17142936 1.65783542 0.41357972 -0.48517613 1.59430536 1.38865629 -1.14865102 2.35755911 1.88922864 0.9050812 1.90485534 1.04178156 1.07703073 0.9681128 4.05719688 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 81110-73-8 60561 170466653 A Racecadotril CC(=O)SC[C@@H](Cc1ccccc1)C(=O)NCC(=O)OCc2ccccc2 Tox21_110700_1 -NCGC00179673-03 196713508 tox21-ror-cho-viability-p1 set2 4 2.36654456 -0.34383663 2.29441783 1.88069661 0.47661055 1.73831142 1.33464428 1.72053732 0.27545955 0.32076266 -0.42821842 0.97527968 1.6020997 1.88048887 0.94091599 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54-42-2 5905 170465014 Ac Idoxuridine IC1=CN(C(=O)NC1=O)[C@H]2C[C@H](O)[C@@H](CO)O2 Tox21_110324_1 -NCGC00090827-04 196713513 tox21-ror-cho-viability-p1 set2 4 2.25180655 5.70369981 2.64023931 3.68724161 0.58337256 6.89329702 3.21004168 2.52182263 6.11688429 0.39656989 3.14865534 2.77749279 1.65265729 4.33429525 1.55629141 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00254357-01 196713908 tox21-ror-cho-viability-p1 set2 4 -4.95557716 -4.71273649 1.88917747 -0.03393765 -0.55056499 -2.70907972 -3.33652309 -7.89702739 -2.87665371 2.03180008 0.46038924 -12.9823761 1.66337514 0.86774274 -0.36018939 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 34590-94-8 22833331 144210887 F Dipropylene glycol monomethyl ether COCCCOC(O)CC Tox21_300570 -NCGC00254713-01 196713917 tox21-ror-cho-viability-p1 set2 4 68.1713220381 -17.8996929879 2 -15.8996929879 4.9549173134 0.8460558889 0.0025773577 0.00406345 0.92349352 3.65520973 2.67354135 0.56397112 1.89031688 -0.04406238 2.35351015 0.51650935 0.58519969 0.68257835 3.86843337 4.63519553 2.74923304 -12.83307749 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 1825-19-0 15766 144211126 Pentachlorothioanisole Clc1c(SC)c(Cl)c(Cl)c(Cl)c1Cl Tox21_300809 -NCGC00255417-01 196728962 tox21-ror-cho-viability-p1 set3 4 -0.89448234 3.03681811 1.25938666 2.14153496 -1.09613825 -0.23887677 2.55851493 -0.33249148 3.86224849 -1.53466671 0.00760687 -5.62754177 -3.00455518 -0.3220117 -1.57137367 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 611-20-1 11907 144212427 A A 2-Hydroxybenzonitrile N#Cc1ccccc1O Tox21_302110 -NCGC00255146-01 196728948 tox21-ror-cho-viability-p1 set3 4 24.3365162115 -14.693741968 3 -11.693741968 2.3531167061 0.6469016681 0.0661367299 0 -2.20999859 5.83866939 4.88477026 5.18650187 -1.7963479 5.92297349 6.63111489 -2.12016491 7.39395171 6.43562116 1.22513161 -2.39870971 -7.32716178 -11.41145164 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26447-10-9 22833320 144212706 F Ammonium xylene sulfonate [NH4+].Cc1c(C)cccc1S(=O)([O-])=O Tox21_302389 -NCGC00255750-01 196728953 tox21-ror-cho-viability-p1 set3 4 0 1.6929995 4.10719454 1.42839958 2.58754028 4.44625192 4.95945617 3.93939128 1.10522016 1.02712784 3.65665732 1.29808586 0.96922406 11.32998631 2.17442439 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 552-45-4 11093 144212477 A Ac 1-(Chloromethyl)-2-methylbenzene Cc1ccccc1CCl Tox21_302160 -NCGC00091009-05 196728957 tox21-ror-cho-viability-p1 set3 4 19.4816498651 -14.8017671679 -1 -15.8017671679 0.6 0.7750115219 0.0130772046 -2.48331964 1.07888281 -2.75599137 -2.5282852 -0.98688355 1.01987182 -1.36989636 -5.5322087 -0.15748716 -3.55517966 -7.15507203 -5.46281914 -8.64409077 -7.73205457 -12.75147264 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00258745-01 196729774 tox21-ror-cho-viability-p1 set3 4 1.88544625 -0.30181629 0.41638718 -2.02475212 -0.6109042 -0.91181368 -0.29298044 -1.28633012 -0.43078487 6.96244372 -0.05389933 0.10625995 0.94916471 1.13522314 6.85061568 1.2009999999E-9 2.686E-9 6.005E-9 1.3429999999E-8 3.003E-8 6.714E-8 1.501E-7 3.3569999999E-7 7.506E-7 0.0000016779999999 0.000003753 0.0000083919999999 0.000018769999999 0.00004196 0.000093829999999 1125-21-9 62374 144208391 A Ac 2,6,6-Trimethyl-2-cyclohexene-1,4-dione O=C1C=C(C)C(=O)C(C)(C)C1 Tox21_201193 -NCGC00091839-03 196729789 tox21-ror-cho-viability-p1 set3 -2.4 68.5896218971 -36.7164630679 1.5 -35.2164630679 4.9549173134 0.8706239057 0.0011331168 0.8801508 -0.12283184 0.9405385 -2.05349874 -2.01732335 -0.39803572 -0.79391381 1.02259166 1.1793298 2.58778458 1.58534607 0.80966395 9.44565446 3.16422029 -28.93038589 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00258682-01 196729795 tox21-ror-cho-viability-p1 set3 4 0.83029515 0.90555847 1.65547984 3.03598018 2.12631632 4.06804161 2.8952561 3.08972798 3.55541675 -1.27114256 0.16257162 3.35044039 -0.84982216 0.78042991 -0.37817966 1.142E-9 2.5539999999E-9 5.7099999999E-9 1.277E-8 2.8549999999E-8 6.384E-8 1.428E-7 3.1919999999E-7 7.1379999999E-7 0.000001596 0.0000035689999999 0.000007981 0.00001785 0.000039899999999 0.00008923 2365-48-2 16907 144208328 A Ac Methyl thioglycolate O=C(OC)CS Tox21_201130 -NCGC00258430-01 196730199 tox21-ror-cho-viability-p1 set3 4 1.99718424 2.39759158 1.82732366 1.77595851 1.25961507 -0.1026676 -1.45342529 -2.02558107 -4.46497236 -1.38052751 -3.16188458 -0.40067345 1.29313418 0.43295669 5.40066481 1.172E-9 2.621E-9 5.8609999999E-9 1.31E-8 2.9299999999E-8 6.552E-8 1.465E-7 3.276E-7 7.326E-7 0.0000016379999999 0.0000036629999999 0.00000819 0.00001831 0.00004095 0.000091569999999 2440-22-4 17113 144208074 A A 2-(2H-Benzotriazol-2-yl)-4-methylphenol Cc1cc(c(O)cc1)n2nc3ccccc3n2 Tox21_200876 -NCGC00258349-01 196730211 tox21-ror-cho-viability-p1 set3 4 0.22787098 1.50804006 0.1440552 -0.44091925 0.07867526 -1.03635908 0.50220962 -0.43830817 1.59874331 -0.74547267 -1.00682855 0.25634842 0.47280935 -2.74579916 -2.70344343 1.158E-9 2.5879999999E-9 5.7879999999E-9 1.2939999999E-8 2.894E-8 6.471E-8 1.447E-7 3.2359999999E-7 7.235E-7 0.000001618 0.000003618 0.000008089 0.000018089999999 0.00004045 0.00009044 107-40-4 7869 144207993 FNS 2,4,4-Trimethyl-2-pentene C\C(C)=C/C(C)(C)C Tox21_200795 -NCGC00256646-01 196707071 tox21-ror-cho-viability-p1 set1 4 42.0477706804 12.0377606 -1.5377606 10.5 3.5117481694 0.5933584207 0.1025564306 -2.00234783 0.58632578 -5.8648005 0.1333083 -2.7402803 -4.34114123 -3.98043414 0.00924986 2.14070525 2.62554652 0.629733 -5.6227337 -2.18643566 4.22565464 9.78911273 1.152E-9 2.576E-9 5.759E-9 1.288E-8 2.8799999999E-8 6.439E-8 1.44E-7 3.22E-7 7.199E-7 0.00000161 0.0000036 0.0000080489999999 0.000018 0.00004024 0.00008999 475-31-0 10140 144212866 A A Glycocholic acid O=C(O)CNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C Tox21_302549 -NCGC00256907-01 196707504 tox21-ror-cho-viability-p1 set1 4 2.23198445 -1.91806516 -0.42504725 -10.00050058 2.88821192 2.18888761 -1.27634767 3.64105163 -0.65347661 0.34282838 2.281959 -1.60117586 3.50584727 1.6120351 0.75833281 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2338-76-3 75360 144213031 A A [3-(Trifluoromethyl)phenyl]acetonitrile FC(F)(F)c1cccc(CC#N)c1 Tox21_302714 -NCGC00256393-01 196707070 tox21-ror-cho-viability-p1 set1 4 43.2771256911 10.4300578561 -10.9689977 -0.5389398439 3.1319983358 0.4056905724 0.2678422189 -6.41251521 -11.36794721 -6.34073063 -8.64357293 -8.3589447 -16.22416475 -15.29334191 -7.54935404 -15.08037522 -12.88201711 -8.15994114 -11.88895891 -11.43936329 -5.9715288 -1.28244987 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 4998-76-9 2723770 144213077 A B Cyclohexylamine hydrochloride Cl.NC1CCCCC1 Tox21_302760 -NCGC00091775-03 196707075 tox21-ror-cho-viability-p1 set1 -1.2 0.6113056486 -22.1367942441 -4.1131690039 -26.249963248 4.9549173134 0.83208427 0.0037394311 -15.82185747 -6.40122912 -4.01659459 -1.4793854 -3.94671825 -0.91657631 -0.51097417 -1.72391547 -22.00066496 -21.83666257 -19.78637723 -21.80096863 -30.86966407 -32.29163604 -27.89874217 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00256585-01 196707922 tox21-ror-cho-viability-p1 set1 -2.1 15.3553036427 -93.2916354241 2.1249245849 -91.1667108392 2.7202212143 0.9936718058 4E-10 4.8035066 0.19430544 -0.68490325 2.60538957 0.80034074 -0.3091067 1.61193855 0.49016711 0.59419614 3.48106604 0.80304256 -7.83158923 -55.88757699 -83.94724755 29.9573778 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 156-10-5 9074 144213139 A A 4-Nitrosodiphenylamine O=Nc2ccc(Nc1ccccc1)cc2 Tox21_302822 -NCGC00256853-01 196708328 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -17.593127648 1 -16.593127648 4.5044702849 0.8609676063 0.0016164344 1.12817365 0.96801774 0.34811435 3.01193592 1.4312477 0.67743497 -0.38871575 2.26449505 0.98851552 -0.466231 -1.534084 4.57102808 0.62450572 -0.49276057 -12.99427304 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 61295-41-8 43598 144212819 A B 3-(2-Methyl-3-furylthio)-4-heptanone CCC(Sc1ccoc1C)C(=O)CCC Tox21_302502 -NCGC00257249-01 196708330 tox21-ror-cho-viability-p1 set1 4 21.6899429044 10.6555350359 -1.6555350359 9 4.9549173134 0.8421553385 0.0028878907 -4.29272263 -3.65473628 -0.63384203 0.53007505 -5.12961253 -1.02827922 -1.56309271 -0.67198229 -0.42071873 -0.65076279 -1.14036155 -0.40001776 1.16718393 9.20131266 8.46089784 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-41-3 7298 144213868 A Cyclopentanol OC1CCCC1 Tox21_303563 -NCGC00256534-01 196708337 tox21-ror-cho-viability-p1 set1 4 1.3140727 0.61432191 5.6175764 -0.23289814 3.002062 0.82585476 5.62982631 7.45172961 8.07150477 3.67203231 -0.4127271 1.05076333 5.21449889 4.23265893 3.95115023 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-77-6 638014 144213179 Z F beta-Ionone CC=1CCCC(C)(C)C=1/C=C/C(C)=O Tox21_302862 -NCGC00259534-01 196708739 tox21-ror-cho-viability-p1 set2 4 3.91649169 3.70007561 2.84327353 1.8597829 -1.01054355 2.26309648 -0.77198046 2.84453209 3.70510331 -1.31308049 -0.49784476 -0.09592335 3.94512082 2.99974216 0.55812826 1.164E-9 2.6039999999E-9 5.822E-9 1.302E-8 2.911E-8 6.509E-8 1.4549999999E-7 3.255E-7 7.2769999999E-7 0.0000016269999999 0.000003639 0.000008136 0.00001819 0.00004068 0.000090969999999 131-57-7 4632 144209183 A A 2-Hydroxy-4-methoxybenzophenone O=C(c1ccc(cc1O)OC)c2ccccc2 Tox21_201985 -NCGC00258889-01 196708749 tox21-ror-cho-viability-p1 set2 4 4.36571872 1.92188944 1.12041883 0.37027158 1.33489541 1.70170669 0.55579347 2.40770496 -0.13159076 0.68558529 3.00319987 -0.36531579 5.50903171 -0.9070334 1.41404976 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.613E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.00001848 0.00004133 0.00009242 120-51-4 2345 144208535 A A Benzyl benzoate O=C(OCc1ccccc1)c2ccccc2 Tox21_201337 -NCGC00259353-01 196709152 tox21-ror-cho-viability-p1 set2 4 -2.26583089 -4.5484193 -4.79896202 -3.01021265 0.37037299 0.80777651 -3.94474963 -1.89960899 -1.92946421 0.54030647 0.26322716 -1.09203315 -2.12645129 -0.16768433 -2.23112969 1.191E-9 2.663E-9 5.955E-9 1.332E-8 2.978E-8 6.6579999999E-8 1.489E-7 3.3289999999E-7 7.4439999999E-7 0.000001665 0.0000037219999999 0.000008323 0.00001861 0.000041609999999 0.00009305 14371-10-9 637511 144209002 A A (2E)-3-Phenylprop-2-enal O=C\C=C\c1ccccc1 Tox21_201804 -NCGC00258970-01 196709160 tox21-ror-cho-viability-p1 set2 4 1.61365421 0.24129765 1.79891897 -1.36726671 0.32376988 -1.4597895 -0.8775874 -0.02100705 -1.45350579 -2.22688296 -1.7678152 -0.93896131 2.17363317 -0.16034138 2.26140307 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3079999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.000008269 0.000018489999999 0.00004135 0.00009245 1120-71-4 14264 144208617 D 1,3-Propane sultone O=S1(=O)CCCO1 Tox21_201419 -NCGC00255557-01 196700974 tox21-ror-cho-viability-p1 set1 -1.1 2.1689942904 -89.7269575888 -2.132496935 -91.8594545238 2.4729283767 0.9859052428 6.2E-9 -1.01809304 1.06078635 -1.01582504 -16.95457292 -0.44819038 1.41050997 1.8193577 0.17853994 -13.12087291 -29.66846317 -72.27309887 -90.19811691 -93.10060194 -94.50561165 -88.26800617 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3347-22-6 18771 144212722 F F Dithianon N#CC=1SC3=C(SC=1C#N)C(=O)c2ccccc2C3=O Tox21_302405 -NCGC00255722-01 196701375 tox21-ror-cho-viability-p1 set1 4 17.2289340586 8.4034496119 -3.9034496119 4.5 4.9549173134 0.4293494303 0.2627528907 -0.42260212 -1.24412558 -7.83620801 -5.04229324 -6.08984468 -1.95485179 -5.45108774 -3.84929464 -4.92405242 -1.62283582 1.99178036 -7.63952345 1.80342394 4.27018625 -6.99167922 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1907-65-9 61285 144212115 A A N-Butyl-p-toluenesulfonamide Cc1ccc(cc1)S(=O)(=O)NCCCC Tox21_301798 -NCGC00257545-01 196701392 tox21-ror-cho-viability-p1 set1 4 0.51960605 -5.74494022 -4.32659002 -3.46845466 -1.1869443 -0.20166704 -1.2034902 -2.98068822 -6.69309775 0.43485151 -2.49350144 1.15337923 -0.13599421 -2.25737184 -2.46577422 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 137-00-8 1136 144212504 A A Thiamine thiozole OCCc1scnc1C Tox21_302187 -NCGC00257999-01 196701794 tox21-ror-cho-viability-p1 set1 4 3.27536322 3.16889093 2.16755629 3.72849147 1.22820118 2.18918009 -2.05824432 -1.59321723 -1.6100613 0.80699163 1.96510254 0.75870999 4.56283538 3.79647839 1.78312008 1.188E-9 2.657E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016599999999 0.000003713 0.000008302 0.00001856 0.000041509999999 0.00009282 502-44-3 10401 144207643 D 2-Oxepanone O=C1CCCCCO1 Tox21_200445 -NCGC00258483-01 196701795 tox21-ror-cho-viability-p1 set1 4 0.0214142419 -8.6828362959 0.5 -8.1828362959 4.9549173134 0.5819740592 0.1106029182 -3.76699342 2.50742202 1.72281024 1.97355674 -3.61262615 -8.1676025 -11.09000727 -6.09492343 0.43503994 -11.24491966 -7.88267173 -7.97431323 -12.65236358 -11.13078512 -5.4404677 7.954E-10 1.779E-9 3.977E-9 8.8929999999E-9 1.989E-8 4.447E-8 9.943E-8 2.223E-7 4.971E-7 0.000001112 0.000002486 0.000005558 0.00001243 0.000027789999999 0.00006214 27994-11-2 6537499 144208127 FNS Cimicifugoside C[C@@H]4CC2(OC(O)C1(C)OC12)OC5C[C@@]6(C)C7=CC[C@H]9[C@](C)(C)C(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)CC[C@]89C[C@@]78CC[C@]6(C)C45 Tox21_200929 -NCGC00257598-01 196701796 tox21-ror-cho-viability-p1 set1 4 -11.25558887 0.08287355 -4.44014356 -4.68073493 -11.68410362 -1.36779136 -3.30556052 -3.32447183 1.47364362 -5.04907663 -14.38386474 -15.06117414 -12.01869202 -1.93103551 -13.50500098 1.214E-9 2.716E-9 6.072E-9 1.358E-8 3.036E-8 6.789E-8 1.518E-7 3.395E-7 7.59E-7 0.000001697 0.0000037949999999 0.000008486 0.00001898 0.00004243 0.000094879999999 846-50-4 5391 144207242 A A Temazepam Clc1ccc2c(c1)C(=NC(O)C(=O)N2C)c3ccccc3 Tox21_200044 -NCGC00258024-01 196701799 tox21-ror-cho-viability-p1 set1 4 2.38624336 0.47592822 1.6090562 4.91166346 0.5704524 3.278172 9.60641458 7.13062239 5.80554705 0.87967792 0.97341171 1.37799339 0.6106974 0.34634117 6.42896857 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.65E-8 1.487E-7 3.325E-7 7.4339999999E-7 0.000001662 0.0000037169999999 0.000008312 0.00001859 0.00004156 0.00009293 107-83-5 7892 144207668 FNS 2-Methylpentane CC(C)CCC Tox21_200470 -NCGC00258156-01 196701802 tox21-ror-cho-viability-p1 set1 4 0.83950397 4.56701162 1.00983376 -0.63264844 5.70967512 9.11712791 7.58220651 -1.13610211 3.89012189 0.08430048 8.63157606 0.62058678 4.41657923 7.41184242 5.95133375 1.185E-9 2.649E-9 5.923E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 85100-78-3 2734237 144207800 A A 1-Hexyl-3-methylimidazolium bromide [Br-].C[n+]1ccn(CCCCCC)c1 Tox21_200602 -NCGC00263557-01 196718035 tox21-ror-cho-viability-p1 set2 4 0.2984929481 -4.7647418839 4 -0.7647418839 4.9549173134 0.5393887342 0.1459178319 -0.29888878 1.32514446 2.62097064 4.30026988 7.17115985 7.81295794 5.52815649 5.19856491 -0.14609679 1.40648639 -1.68792674 -0.60137356 0.20275621 -0.02283311 -4.80395157 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 124937-51-5 443879 170465337 A Tolterodine Oc1ccc(C)cc1[C@H](CCN(C(C)C)C(C)C)c2ccccc2 Tox21_111737_1 -NCGC00015086-04 196718016 tox21-ror-cho-viability-p1 set2 4 1.89347682 0.53797707 2.33423602 2.24536697 -0.05493622 4.29197827 5.11525304 7.2556019 0.38568805 -1.00810934 1.1428807 1.62475559 0.65547532 -2.4776992 -0.95047641 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 616-91-1 12035 170464792 D Acetylcysteine CC(=O)N[C@@H](CS)C(O)=O Tox21_110877_1 -NCGC00164582-02 196718024 tox21-ror-cho-viability-p1 set2 4 -1.18232887 -1.24893896 3.49335008 1.18072928 3.7550441 -0.79821566 -0.10251523 3.85993576 -0.34539925 1.0526303 -0.29926962 0.7599121 -0.13016699 -0.44654225 -0.08766604 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 30748-29-9 35455 170465969 A Feprazone C/C(C)=C\CC2C(=O)N(c1ccccc1)N(C2=O)c3ccccc3 Tox21_112208_1 -NCGC00178220-05 196718026 tox21-ror-cho-viability-p1 set2 4 0.06940704 2.31185356 0.90873772 0.31910084 -0.1626132 -0.30348217 1.99278488 1.24007577 2.51686671 0.81022374 2.81094674 -0.36471787 1.49059028 -0.33454967 -1.1217599 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68-89-3 522325 170465672 C Dipyrone [Na+].[O-]S(=O)(=O)CN(C)C=2C(=O)N(c1ccccc1)N(C)C=2C Tox21_110759_1 -NCGC00164577-02 196718039 tox21-ror-cho-viability-p1 set2 4 -2.49362327 -4.70071781 -3.49807964 1.34604531 -3.62307577 -0.38249644 -3.32993956 -7.02477624 -1.70113973 0.62872634 0.63740183 -2.94320019 -2.02907609 -3.00699493 -2.1983144 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2011-67-8 4496 170465912 A Nimetazepam [O-][N+](=O)c1ccc2c(c1)C(=NCC(=O)N2C)c3ccccc3 Tox21_112205_1 -NCGC00256828-01 196719224 tox21-ror-cho-viability-p1 set2 4 -0.97240514 -0.00323829 -0.20097349 0.15443649 0.11315722 4.17138655 0.24479173 1.26543297 0.5685053 -0.28437471 5.48238639 3.33845459 0.23384303 0.5371666 1.54231362 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135-79-5 67285 144213028 A Ac 6-(1-Methylethyl)quinoline CC(C)c1ccc2ncccc2c1 Tox21_302711 -NCGC00257163-01 196718820 tox21-ror-cho-viability-p1 set2 4 0.85735274 0.83489773 1.04523727 0.39243821 2.23169652 5.16923984 2.58123781 7.32849701 3.28700482 2.25394778 6.63313386 0.48622563 0.2014749 3.35143701 2.46478408 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5809-23-4 79878 144213471 A A 2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid O=C(c1ccc(cc1O)N(CC)CC)c2ccccc2C(=O)O Tox21_303154 -NCGC00256762-01 196719216 tox21-ror-cho-viability-p1 set2 4 -2.0187831 2.29421485 -1.23643125 1.84739559 2.36721858 2.0757069 2.62722612 2.59580377 2.60898309 -2.44982033 -1.21312925 1.17192136 0.02807769 1.62584927 0.86517377 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-92-4 8863 144212857 C C Hydroxycitronellal dimethyl acetal COC(CC(C)CCCC(C)(C)O)OC Tox21_302540 -NCGC00256830-01 196719218 tox21-ror-cho-viability-p1 set2 4 -0.98189137 3.68050944 -0.43875164 -0.85906 -1.09904688 0.90354165 3.13433186 5.95192587 0.53365858 3.87943208 -0.42987981 -2.3985567 -1.32748879 0.19074052 -0.16462617 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33467-74-2 5365049 144213932 F Fns (3Z)-Hex-3-en-1-yl propanoate O=C(CC)OCC/C=C\CC Tox21_303627 -NCGC00257269-01 196719225 tox21-ror-cho-viability-p1 set2 -2.2 54.4826732819 -37.3832430748 -4 -41.3832430748 3.0654483358 0.7846372988 0.0107931498 -8.35609774 1.52401471 -4.8736561 -10.23155273 -11.97879857 -7.16753256 1.96450784 -2.83274711 -7.01434202 -4.91875469 0.5017794 1.59800297 -3.28233447 -15.02830307 -35.51760839 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6807-17-6 81259 144213913 A A 4,4'-(4-Methylpentane-2,2-diyl)diphenol Oc1ccc(cc1)C(C)(CC(C)C)c2ccc(O)cc2 Tox21_303608 -NCGC00256947-01 196719228 tox21-ror-cho-viability-p1 set2 4 10.8707224818 4.5901366159 -3.5901366159 1 2.4063783767 0.3614138545 0.3130905213 -0.12273563 -3.95847909 -0.99153541 -0.49216468 -3.31847159 -2.30865323 -8.40844718 -2.46215199 -7.60743127 -5.0894922 -2.50710794 -2.62310794 0.72023123 1.79970115 0.18313118 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 123-09-1 31243 144213628 A F 4-Chlorophenyl methyl sulfide CSc1ccc(Cl)cc1 Tox21_303311 -NCGC00256580-01 196719236 tox21-ror-cho-viability-p1 set2 -1.2 4.3277125691 -40.3634194768 0.1210009489 -40.2424185279 1.4641 0.9666624027 8.821E-7 -3.27875335 0.41564482 1.29451374 -0.92102663 2.33797507 0.16987414 1.18456385 -3.69551829 -5.03933286 -0.35864888 -22.75306338 -29.2352691 -34.56547465 -36.89004221 -41.45201544 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 70-30-4 3598 144213058 A A Hexachlorophene Clc2c(Cc1c(O)c(Cl)cc(Cl)c1Cl)c(O)c(Cl)cc2Cl Tox21_302741 -NCGC00022848-17 196697335 tox21-ror-cho-viability-p1 set1 4 -0.82628522 -5.93912715 1.17226864 0.66964902 -0.85552621 -6.07422013 1.32218751 -0.03302605 -1.32047768 -0.55662606 1.09961544 1.03302288 1.93073128 1.40077367 1.13486833 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-23-7 5754 170464635 A Hydrocortisone OCC(=O)[C@@]4(O)CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_110883_1 -NCGC00260522-01 196724660 tox21-ror-cho-viability-p1 set3 4 77.115374479 -10.270132852 1 -9.270132852 4.9549173134 0.4436232344 0.2338569522 -2.156478 6.15712731 0.03283912 2.15771464 1.78226939 3.01155594 0.06607301 3.87444614 -0.03830723 1.65500118 -1.23692809 -0.33675196 -1.4583192 0.80652778 -6.47511071 1.182E-9 2.6429999999E-9 5.91E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.304E-7 7.387E-7 0.0000016519999999 0.0000036939999999 0.000008259 0.000018469999999 0.000041299999999 0.00009234 1222-98-6 5377323 144210174 A B 4-Nitrochalcone O=[N+]([O-])c1ccc(cc1)\C=C\C(=O)c2ccccc2 Tox21_202976 -NCGC00260432-01 196724651 tox21-ror-cho-viability-p1 set3 4 61.3793157847 -13.9025221639 2 -11.9025221639 4.5044702849 0.3988354994 0.2737264408 -6.49929052 5.23039186 3.00454463 0.28794639 -6.00965998 0.42192676 4.02762294 6.52076852 3.56275092 5.08543471 4.63578538 4.89366483 2.05588269 0.07872961 -9.91876847 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004136 0.00009247 602-38-0 11764 144210084 B B 1,8-Dinitronaphthalene [O-][N+](=O)c1cccc2cccc([N+]([O-])=O)c12 Tox21_202886 -NCGC00260356-01 196724655 tox21-ror-cho-viability-p1 set3 4 -7.0150629 -1.65592889 0.17111208 -0.80381985 3.5074678 3.9099654 3.01471746 -2.27422385 0.7191494 4.84231069 -1.03249401 -17.4660969 -2.57115131 -1.48613136 7.24897483 1.051E-9 2.351E-9 5.256E-9 1.175E-8 2.628E-8 5.877E-8 1.3139999999E-7 2.938E-7 6.57E-7 0.000001469 0.000003285 0.000007346 0.00001643 0.000036729999999 0.000082129999999 19285-83-7 16219385 144210008 F Ac DL-Glutamic acid monohydrate O.OC(=O)CCC(N)C(=O)O Tox21_202810 -NCGC00254749-01 196714070 tox21-ror-cho-viability-p1 set2 4 0.0043277126 13.3933953199 -10.8933953199 2.5 0.6999999999 0.7843669488 0.0110648903 -8.2444961 -3.11876822 -5.80524988 -0.10626893 0.32166965 1.10870435 0.98575269 0.02933767 1.88110442 4.18318025 0.54096116 2.61522396 1.79865869 0.79338615 5.5369737 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 116-06-3 2086 144211163 A A Aldicarb CC(C)(\C=N\OC(=O)NC)SC Tox21_300846 -NCGC00181749-01 196713237 tox21-ror-cho-viability-p1 set2 4 -0.27123172 -1.20058933 0.25129271 0.43715857 -1.59124245 -0.5661884 -0.61064477 -1.26548121 -1.68661793 0.59049104 -1.64731953 1.82834202 -3.7244954 -7.55004461 -0.76515902 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 75498-96-3 60196336 144206473 D D Cefminox sodium [Na+].[O-]C(=O)[C@H](N)CSCC(=O)N[C@]3(OC)C(=O)N2C(=C(CSc1nnnn1C)CS[C@@H]23)C(=O)O Tox21_112920 -NCGC00018301-05 196713239 tox21-ror-cho-viability-p1 set2 -2.1 26.6032120037 -109.1101760351 2.6041270319 -106.5060490032 1.8079476909 0.9848582415 9.4E-9 6.28402594 2.3257973 8.27232892 3.34903314 4.77770783 3.70448238 2.47893888 -0.65727364 0.21036733 0.22049899 -0.06275652 0.14107329 -15.47094252 -36.91632386 -80.68640076 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54767-75-8 5354 170466521 Ac Suloctdil CC(C)Sc1ccc(cc1)C(O)C(C)NCCCCCCCC Tox21_110858_1 -NCGC00016421-07 196713671 tox21-ror-cho-viability-p1 set2 4 -2.06958523 -3.23290046 -2.25991889 -5.64630727 -7.05422454 -8.13215835 -5.84568804 2.73555988 -7.67745281 -4.49345317 -0.82225148 -3.96219427 -1.36283344 -3.12708759 -1.05227759 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 303-25-3 67533 170465270 A Cyclizine hydrochloride Cl.Cl.CN1CCN(CC1)C(c2ccccc2)c3ccccc3 Tox21_110433_1 -NCGC00254259-01 196714077 tox21-ror-cho-viability-p1 set2 4 -11.41105746 -2.59300639 -2.60337145 -5.33818565 -9.70797023 -5.31240924 -6.09286992 -3.650672 -6.25645166 -5.17052781 1.40809047 -5.02953617 -0.35557678 -3.19297502 -4.42338872 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6915-15-7 525 144210690 A A Malic acid O=C(O)C(O)CC(=O)O Tox21_300372 -NCGC00260145-01 196711604 tox21-ror-cho-viability-p1 set2 4 19.1981812 -21.392137608 -2.286536192 -23.6786738 0.4 0.421751625 0.2685079132 -2.43047901 -1.30915892 -4.29426117 -1.9535384 -5.56575338 -11.63380888 -3.52695024 -0.23878016 -4.31302958 -6.19601459 -2.34381883 -18.0655615 -10.92889193 -12.2336948 -6.01958876 5.994E-10 1.34E-9 2.997E-9 6.701E-9 1.498E-8 3.3509999999E-8 7.492E-8 1.675E-7 3.746E-7 8.3759999999E-7 0.000001873 0.0000041879999999 0.000009365 0.00002094 0.000046819999999 7446-08-4 24007 144209795 Selenium dioxide O=[SeH2]=O Tox21_202597 -NCGC00255175-01 196711176 tox21-ror-cho-viability-p1 set2 4 -3.84763231 1.46427866 0.2327781 0.75966022 -0.06259029 2.16256542 -3.51216398 -3.11930948 1.2099848 0.75583945 1.92987601 0.8761689 -5.06421625 -3.17865666 -4.19088621 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 530-78-9 3371 144212428 A A Flufenamic acid FC(F)(F)c1cc(ccc1)Nc2ccccc2C(=O)O Tox21_302111 -NCGC00260275-01 196711191 tox21-ror-cho-viability-p1 set2 4 -1.59946416 -3.68881555 -8.77708849 -4.48796092 -2.95218656 0 -54.92225239 -1.28978763 0 -10.37394988 -28.71543337 0 0 -6.50956493 10.14781314 1.288E-9 2.879E-9 6.4379999999E-9 1.4399999999E-8 3.219E-8 7.198E-8 1.61E-7 3.599E-7 8.0479999999E-7 0.0000017989999999 0.000004024 0.0000089969999999 0.00002012 0.00004499 0.00010059999999 100-65-2 7518 144209925 F F N-Phenylhydroxylamine ONc1ccccc1 Tox21_202727 -NCGC00260097-01 196711195 tox21-ror-cho-viability-p1 set2 -2.2 12.4485793001 -49.5355300016 -6.952442008 -56.4879720096 3.5117481694 0.8628760325 0.0023727019 -3.58050313 -4.20909057 -13.93409546 -5.92191439 -3.26316298 -2.78934387 -9.07031188 -16.53375944 -8.85412545 -3.15428614 -8.68584244 -7.87483737 -12.41230222 -58.84163751 -15.58375761 5.571E-10 1.2459999999E-9 2.785E-9 6.2279999999E-9 1.393E-8 3.114E-8 6.963E-8 1.557E-7 3.482E-7 7.7849999999E-7 0.000001741 0.000003893 0.000008704 0.00001946 0.00004352 218-01-9 9171 144209746 A A Chrysene c1cc4ccccc4c2ccc3ccccc3c12 Tox21_202548 -NCGC00357274-01 196711615 tox21-ror-cho-viability-p1 set2 4 0.0485577337 13.073651272 -2.073651272 11 0.3 0.652099751 0.0635970289 -0.06137606 1.89073449 0.02296288 3.96059058 5.52750162 5.93659 3.92083013 9.53358604 9.44951384 2.55731541 7.94764102 7.17685468 9.68799085 7.95361519 12.8409259 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 589-66-2 61135 251919821 Ac 2-Methylpropyl but-2-enoate CC(C)COC(=O)C=CC Tox21_303966 -NCGC00260600-01 196712425 tox21-ror-cho-viability-p1 set2 -1.4 0.0668242473 -18.8250957659 -2.187521765 -21.0126175309 4.9549173134 0.350157895 0.3518250048 -0.45333665 -4.51149693 -0.92601414 -3.63040497 -2.64408053 -0.53893467 -12.76126715 -38.54469739 -15.93283943 -10.62658666 0 -9.62576004 -51.87521765 -16.68000598 -27.69882962 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49496 144210253 M M NTP Mix3 AR1 8-EQC Tox21_203055 -NCGC00357031-01 196724464 tox21-ror-cho-viability-p1 set3 4 1.23392127 1.34920085 6.97112421 -2.40894885 9.36567096 6.30061569 3.64722625 3.49068792 -6.47522863 -4.84352254 6.38116642 -5.08011937 0.61782675 1.84006335 -0.68528638 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-46-6 6539 251919946 A Dibutyl butylphosphonate CCCCOP(=O)(OCCCC)CCCC Tox21_303718 -NCGC00259573-01 196724466 tox21-ror-cho-viability-p1 set3 -1.3 2.1756132424 -60.0773738039 0.3677421579 -59.709631646 4.9549173134 0.9613224496 0.5558390829 -8.2978458 -5.24433077 -6.77654854 1.30600656 2.81346637 4.55440097 3.2279755 3.49495765 3.80899936 -7.41448089 -61.76817745 -53.49176984 -3.20156578 5.99107069 -60.94248948 1.183E-9 2.6459999999E-9 5.916E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3069999999E-7 7.395E-7 0.0000016539999999 0.0000036979999999 0.000008268 0.000018489999999 0.00004134 0.000092439999999 3524-68-3 19042 144209222 D Pentaerythritol triacrylate O=C(C=C)OCC(COC(=O)C=C)(CO)COC(=O)C=C Tox21_202024 -NCGC00260164-01 196724468 tox21-ror-cho-viability-p1 set3 4 0.0245594268 8.717626996 -9.717626996 -1 4.9549173134 0.6331664087 0.0747668548 -1.99207516 -15.18135583 -9.40434634 -12.8674659 -2.38348416 -2.03923932 -1.04499004 -0.51917217 -1.75454946 0.07258823 -1.94556583 -0.11301087 -2.40416818 -2.64951738 3.39474418 1.189E-9 2.6589999999E-9 5.946E-9 1.3289999999E-8 2.973E-8 6.647E-8 1.486E-7 3.3239999999E-7 7.4319999999E-7 0.000001662 0.000003716 0.000008309 0.000018579999999 0.000041549999999 0.0000929 765910-73-4 2734250 144209814 A A 1-Butyl-2,3-dimethylimidazolium trifluoromethanesulfonate CCCCn1cc[n+](C)c1C.FC(F)(F)S([O-])(=O)=O Tox21_202616 -NCGC00357129-01 196724539 tox21-ror-cho-viability-p1 set3 4 3.29079912 5.6131886 -0.02890043 0.14915267 0.83679552 -3.58573317 3.63799193 1.06753011 -1.50134817 -0.74964279 1.37415801 -2.04392797 -0.60372812 -1.60556848 0.22681188 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-53-4 241582 251919868 A 4-Chlorophenylacetonitrile Clc1ccc(CC#N)cc1 Tox21_303864 -NCGC00254532-01 196720843 tox21-ror-cho-viability-p1 set3 4 0.0096885416 12 1 13 0.9999999999 0.4690647204 0.2238683555 2.83963441 2.91171028 4.131877 8.86101176 13.73829665 5.83036697 11.11033674 12.37164709 18.20970392 20.25739513 10.92366921 12.81574921 4.05745754 14.50535118 8.01844665 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-65-1 7668 144210884 AC Fns Propylbenzene CCCc1ccccc1 Tox21_300567 -NCGC00254064-01 196720430 tox21-ror-cho-viability-p1 set3 4 0.0086349218 8.257094736 -6.757094736 1.5 4.9549173134 0.4033116704 0.2693260485 -5.49519166 -5.14569872 -10.63091228 9.19705505 -5.37038673 0.6366898 2.52759771 3.53280334 -5.58594581 1.13412332 4.13455548 0.42507383 2.26751097 2.58949098 0.46945722 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-80-5 8076 144210351 A Ac 2-Ethoxyethanol CCOCCO Tox21_300031 -NCGC00254908-01 196720847 tox21-ror-cho-viability-p1 set3 1.4 0.0108707225 20.130467912 -19.630467912 0.5 0.6999999999 0.9011078037 0.0003068626 -16.35872326 -16.13647145 -9.96894777 -5.39529603 -7.6552156 -7.34038915 -2.66053879 1.06186374 0.42434837 0.75150854 -1.81414669 1.07823708 1.01761637 0.74917791 -2.04728059 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1072-15-7 23677967 144211323 A A Sulfuric acid, monononyl ester, sodium salt [Na+].[O-]S(=O)(=O)OCCCCCCCCC Tox21_301006 -NCGC00259136-01 196721229 tox21-ror-cho-viability-p1 set3 4 -11.02738854 -11.06008276 -3.70323475 0.98852928 -10.01873971 -11.88791237 -8.53075307 -12.58415817 -6.56030873 0.9289446 -6.74569142 -12.83310556 -3.80871172 -1.76217818 0.26617346 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.00009175 56-93-9 5963 144208785 A A Benzyltrimethylammonium chloride [Cl-].C[N+](C)(C)Cc1ccccc1 Tox21_201587 -NCGC00259584-01 196721239 tox21-ror-cho-viability-p1 set3 4 -6.2034653 -2.54046594 -2.66594363 3.51213933 -1.83259573 -4.89654629 -6.05833527 -3.07977923 -4.02848046 0.83645666 -1.20473779 -1.3618987 -4.27490515 -1.20319106 3.63707595 1.194E-9 2.67E-9 5.9699999999E-9 1.335E-8 2.985E-8 6.675E-8 1.493E-7 3.337E-7 7.463E-7 0.000001669 0.0000037309999999 0.0000083439999999 0.00001866 0.00004172 0.00009329 101-80-4 7579 144209233 A A 4,4'-Oxydianiline Nc1ccc(cc1)Oc2ccc(N)cc2 Tox21_202035 -NCGC00258990-01 196721245 tox21-ror-cho-viability-p1 set3 4 -4.61223215 0.42341263 -1.7438629 1.84175224 -4.15706265 -3.17748719 -7.3885713 -6.49612514 -6.18488015 -0.58095704 -3.63218764 -3.33193291 -7.08646469 -0.42472014 -4.95059387 1.163E-9 2.601E-9 5.816E-9 1.301E-8 2.908E-8 6.503E-8 1.454E-7 3.2509999999E-7 7.27E-7 0.0000016259999999 0.0000036349999999 0.000008129 0.00001818 0.00004064 0.00009088 150-68-5 8800 144208637 A A Monuron Clc1ccc(NC(=O)N(C)C)cc1 Tox21_201439 -NCGC00091210-02 196722460 tox21-ror-cho-viability-p1 set3 4 5.4482673282 -6.2143176159 1.5 -4.7143176159 3.5117481694 0.3359820312 0.3500668754 -1.1949796 0.64994154 -3.09591179 -2.28300208 6.49338388 5.2459556 4.22081221 -1.81604881 -0.53284505 9.00578272 -0.60528037 -3.88079533 -2.67738434 -6.84526468 -0.55353197 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00164164-02 196722052 tox21-ror-cho-viability-p1 set3 4 -4.62121619 0.47194191 2.47698278 -3.11956321 -3.83499201 -3.77010261 -4.63946347 -3.01225251 -5.2321602 -1.17871724 -2.21482424 -0.90516622 -1.87648487 -0.98444994 3.36100693 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00259349-01 196722057 tox21-ror-cho-viability-p1 set3 4 27.973820538 8.768229108 -2.268229108 6.5 4.9549173134 0.5540166953 0.133479875 -4.80685759 -3.92562398 -1.30077498 5.03703781 -0.57929707 -2.09883017 -4.54725183 -4.53713864 -3.06017721 0.63139367 -3.51145535 -3.13478604 -1.94075251 5.95163146 5.80639122 1.204E-9 2.693E-9 6.0219999999E-9 1.346E-8 3.011E-8 6.732E-8 1.5049999999E-7 3.366E-7 7.527E-7 0.000001683 0.0000037639999999 0.0000084149999999 0.00001882 0.00004208 0.00009409 85-41-6 6809 144208998 A A Phthalimide O=C1NC(=O)c2ccccc12 Tox21_201800 -NCGC00091080-03 196722073 tox21-ror-cho-viability-p1 set3 4 76.9588215421 20.640824252 -4.640824252 16 4.9549173134 0.6766700993 0.0496273262 -8.84467343 -4.38758851 -5.30984549 -0.67233463 -2.16168367 -3.66449907 -5.40121191 -4.15019807 -5.24496807 -1.47265635 -3.70743396 -5.46450475 -11.78402021 -4.96433582 10.74883183 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00091044-02 196722472 tox21-ror-cho-viability-p1 set3 4 -0.01954571 -1.39885669 -1.39408169 -4.19364475 1.90387288 2.18613751 1.73814331 -23.04394257 -6.16961668 -7.0549371 -0.14917093 -5.97902894 -7.84894639 -1.72949108 -1.97343185 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00095792-03 196722475 tox21-ror-cho-viability-p1 set3 4 16.7854920005 21.686851964 0.313148036 22 0.8999999999 0.5143464732 0.1657051846 0.71917466 0.90859496 -0.14229376 -1.23693244 1.1533541 1.31811004 1.62116878 2.05641913 -0.78213702 -6.40570997 11.34281683 10.62800663 -3.22789617 16.36959325 16.57761043 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83-40-9 6738 170466576 Ac 2-Hydroxy-3-methylbenzoic acid OC(=O)c1cccc(C)c1O Tox21_111523_1 -NCGC00024379-16 196717759 tox21-ror-cho-viability-p1 set2 -2.2 2.6603212004 -49.5355729048 -1.884219229 -51.4197921338 0.7999999999 0.9645542922 0.0000012457 -0.11645192 -0.49075491 -4.63614678 -2.85254968 -3.51199151 -4.02592859 -4.73974017 -5.35016066 -5.68862738 -16.74406001 -24.17599519 -35.81550992 -35.42426552 -36.95784307 -52.56122117 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 483-18-1 10219 170465705 A Emetine COc4cc5CCN[C@H](C[C@H]1C[C@H]2c3cc(OC)c(OC)cc3CCN2C[C@@H]1CC)c5cc4OC Tox21_110901_1 -NCGC00091163-03 196717336 tox21-ror-cho-viability-p1 set2 4 -0.50546524 -7.20933663 -2.68525451 -1.11233305 0.16226431 0.85058516 -0.96997024 -1.62260553 1.58195782 -2.46401422 -0.79779967 0.00709641 -1.09699941 -1.77169468 -0.79099977 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00016759-04 196717338 tox21-ror-cho-viability-p1 set2 4 -25.81709025 0.90666023 1.59259851 8.59659783 5.94278762 1.85970035 0.60665974 1.48255371 5.01547143 5.02005516 -1.19163513 -0.97796795 0.36947448 5.02922883 5.25035123 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26159-34-2 23681059 170465301 A Naproxen sodium [Na+].[O-]C(=O)[C@@H](C)c1ccc2cc(ccc2c1)OC Tox21_110774_1 -NCGC00167808-02 196717731 tox21-ror-cho-viability-p1 set2 4 -13.54406958 -11.46821531 -14.78969965 -10.47808139 -1.85847365 -11.71766243 -0.60076001 -11.86162717 -2.17079796 -10.76693843 -0.6933712 -12.60392825 -12.39614275 -11.08637176 -18.62581866 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127625-29-0 60785 170466120 A Fananserin Fc1ccc(cc1)N2CCN(CC2)CCCN5c4cccc3cccc(c34)S5(=O)=O Tox21_112587_1 -NCGC00163468-05 196717355 tox21-ror-cho-viability-p1 set2 1.1 0.2984929481 82.2398004698 5.085631327 87.3254317968 3.0654483358 0.990993501 2.5E-9 3.51997265 2.24199958 2.30310117 7.11411859 4.33421909 5.42806963 9.10550419 17.75126216 61.5102339 83.51374494 96.38568631 87.72025202 80.16220983 84.64191599 36.10743114 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-07-7 5746 170464814 A Mitomycin C NC(=O)OC[C@@H]3C=1C(=O)C(N)=C(C)C(=O)C=1N2C[C@@H]4N[C@@H]4[C@@]23OC Tox21_111493_1 -NCGC00161602-06 196717360 tox21-ror-cho-viability-p1 set2 1.1 2.3710137656 75.752295007 -2.002021828 73.750273179 4.9549173134 0.9921020639 1.2E-9 -0.31164084 -0.35713286 -4.1999141 -5.39049421 -5.24912669 -0.39093028 -2.44393726 -3.9717808 0.59990784 3.95517827 10.98120717 71.12509497 71.71267424 75.27808131 40.50588419 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10592-13-9 54685920 170465097 B Doxycycline Cl.NC(=O)C=3C(=O)[C@@]4(O)C(O)=C2C(=O)c1c(O)cccc1[C@H](C)[C@H]2[C@H](O)[C@H]4[C@@H](C=3O)N(C)C Tox21_110566_1 -NCGC00095606-02 196717363 tox21-ror-cho-viability-p1 set2 4 1.04530698 -2.71629988 -3.1738005 -0.62170116 -3.07970591 -0.87593211 -3.19738483 -2.49438537 -3.37453272 0.45554258 -2.18586665 -1.92184962 1.87925723 1.46602326 3.23632248 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14073-97-3 26447 170465578 F (2S,5R)-5-Methyl-2-(propan-2-yl)cyclohexanone CC(C)[C@@H]1CC[C@@H](C)CC1=O Tox21_111510_1 -NCGC00274074-01 196717765 tox21-ror-cho-viability-p1 set2 4 0.78122054 -1.02218958 2.16658257 3.39285894 7.10299018 4.39295331 2.09743296 1.91216787 0.49240315 -0.61757119 2.1121474 2.76959447 2.04588849 1.92626949 0.73947253 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4536-30-5 24750 170466587 F F 2-(Dodecyloxy)ethanol OCCOCCCCCCCCCCCC Tox21_113966 -NCGC00164558-02 196717776 tox21-ror-cho-viability-p1 set2 4 -1.1409219 3.63032173 2.43514616 5.24568812 5.40451457 5.53679603 7.53712981 0.69197758 -1.02287556 -0.49852357 2.83718165 -0.77041853 0.25891577 2.22028327 2.09097714 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2765-97-1 53398649 170466467 A Pargeverine hydrochloride Cl.CN(C)CCOC(=O)C(OCC#C)(c1ccccc1)c2ccccc2 Tox21_112187_1 -NCGC00263537-01 196717779 tox21-ror-cho-viability-p1 set2 4 0.68733985 1.00110508 0.40613189 3.94488783 2.31271073 4.15261933 6.21945844 6.51330414 1.65787373 1.71689419 0.14984934 2.81990549 1.03965377 1.52273852 -1.27922264 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15663-27-1 2767 170464726 F Cisplatin Cl[Pt](Cl)(N)N Tox21_111011_1 -NCGC00256914-01 196718175 tox21-ror-cho-viability-p1 set2 4 2.05273906 -0.69318125 -0.58444039 6.4294642 6.66759151 7.01834085 -1.81237267 0.47337162 5.41869983 1.72837768 0.44988018 -0.98120999 1.25425158 5.24672452 5.63710215 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 513-86-0 179 144212835 A Acetoin CC(=O)C(C)O Tox21_302518 -NCGC00257314-01 196718182 tox21-ror-cho-viability-p1 set2 4 -0.22003859 -2.77471212 -1.01462817 -0.4661685 -1.85922523 -4.39282168 0.31819004 -1.93148028 0.7207809 -1.11780885 -3.86438395 -1.90126699 -2.96768858 1.39054565 0.66947012 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27090-63-7 94377 144213745 F Fns N,N,N',N'-Tetrabutyl-1,6-hexanediamine CCCCN(CCCC)CCCCCCN(CCCC)CCCC Tox21_303434 -NCGC00090962-05 196727637 tox21-ror-cho-viability-p1 set3 4 0.49657921 0.95798648 1.47337059 -20.35653093 -13.58427586 -11.5640172 0 0 -0.62996653 -2.76019709 0 -0.41729111 1.34027177 -3.01333208 -11.40300206 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00257724-01 196729234 tox21-ror-cho-viability-p1 set3 4 -7.23589278 -7.47105046 -8.2269488 0.76453395 -8.44322557 -6.82649906 -6.91369317 -2.29981513 -7.20306013 0.88846812 0.22936112 -0.89832509 -0.94194111 -0.65564062 1.00955709 1.172E-9 2.621E-9 5.862E-9 1.311E-8 2.931E-8 6.554E-8 1.465E-7 3.277E-7 7.327E-7 0.0000016379999999 0.000003664 0.000008192 0.00001832 0.00004096 0.00009159 24370-25-0 32346 144207368 A A 2-Benzimidazolylurea NC(=O)Nc1nc2ccccc2n1 Tox21_200170 -NCGC00257825-01 196729241 tox21-ror-cho-viability-p1 set3 4 8.7316056618 8.0030720199 -1.0030720199 7 3.1319983358 0.4403661042 0.2342374281 0.22426355 -5.20777326 2.01224639 -7.08589335 -1.13527351 3.65214402 1.59302663 2.28884676 -2.21065392 -3.14591303 2.04913833 -0.18402602 12.51308149 5.21551543 4.29091973 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.976E-8 6.656E-8 1.4879999999E-7 3.3279999999E-7 7.441E-7 0.0000016639999999 0.000003721 0.000008319 0.0000186 0.0000416 0.00009301 103-70-8 7671 144207469 D Formanilide O=CNc1ccccc1 Tox21_200271 -NCGC00258482-01 196729650 tox21-ror-cho-viability-p1 set3 -1.2 17.4218437261 -39.8166591907 -1 -40.8166591907 1.6604358099 0.9662263147 9.5E-7 -0.60275965 -4.15387508 2.06779669 -0.92017499 -3.78315639 1.06227364 2.01625038 -2.33770093 -2.09488696 -3.17456406 -1.56958582 -12.59998808 -19.80287551 -36.60352969 -36.15912542 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.3289999999E-7 7.445E-7 0.000001665 0.0000037219999999 0.000008324 0.00001861 0.00004162 0.00009306 55566-30-8 41478 144208126 Bc Tetrakis(hydroxymethyl)phosphonium sulfate OC[P+](CO)(CO)CO.[O-]S([O-])(=O)=O.OC[P+](CO)(CO)CO Tox21_200928 -NCGC00256475-01 196727229 tox21-ror-cho-viability-p1 set3 4 0.0094391758 3.942586992 -2.942586992 1 1.8616924601 0.317114309 0.3709609961 -1.25891448 -5.78548916 -1.76054263 -1.01658965 -1.19347539 1.60094553 0.34247914 1.92235373 1.38761873 0.75763313 4.82750083 1.59214262 1.42464407 -5.62121204 -6.91161145 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 8007-70-3 144213162 M M Anise oil Tox21_302845 -NCGC00256741-01 196727238 tox21-ror-cho-viability-p1 set3 4 0.31770821 -0.0263917 0.09337589 0.86827261 0.06320579 0.68452631 3.40133833 4.00076545 2.93346255 2.18847602 1.61526895 2.07583466 2.07039986 -0.67143092 -0.02938634 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 432-25-7 9895 144212841 F F beta-Cyclocitral CC=1CCCC(C)(C)C=1C=O Tox21_302524 -NCGC00256665-01 196727636 tox21-ror-cho-viability-p1 set3 4 4.8557733675 -10.331089052 -1 -11.331089052 4.9549173134 0.7502220499 0.4877407055 -21.30636762 0 -2.30036183 -0.01677329 -2.5499724 -1.97410635 0 -2.64216003 0 -2.29502383 0 -15.69257421 -6.25110141 -12.11086183 -4.70293798 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3057-08-7 76464 144212837 F F 5,5-Dimethyl-2-phenoxy-1,3,2-dioxaphosphinane CC2(C)COP(Oc1ccccc1)OC2 Tox21_302520 -NCGC00091146-04 196727643 tox21-ror-cho-viability-p1 set3 4 9.6885416101 -14.0247379439 -2 -16.0247379439 3.9899729863 0.6337877797 0.086660851 -7.61790671 -0.21714792 -0.58924062 -7.30964577 -6.19759783 0 0 -0.0303461 -0.06613318 0 0 -5.78855155 -21.68728162 -10.30086778 -5.65052265 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00257293-01 196727644 tox21-ror-cho-viability-p1 set3 -3 21.0741955449 -44.533741995 -2.436799689 -46.970541684 4.9549173134 0.798946363 0.0081190253 -1.75474777 0.87675459 -0.09858769 -1.56846894 0 -2.03701387 -1.2972924 -0.65161933 0 -2.22684028 0 -12.51778568 -16.46916158 -1.35769287 -43.4912423 3.643E-10 8.147E-10 1.822E-9 4.073E-9 9.108E-9 2.037E-8 4.5539999999E-8 1.018E-7 2.277E-7 5.0919999999E-7 0.000001139 0.000002546 0.0000056929999999 0.00001273 0.00002846 129298-91-5 9930932 144213744 Ac D TNP-470 C[C@@]1(O[C@@H]1C\C=C(\C)C)[C@H]3[C@H](OC)[C@H](OC(=O)NC(=O)CCl)CC[C@@]23CO2 Tox21_303433 -NCGC00257383-01 196727645 tox21-ror-cho-viability-p1 set3 4 0.71056259 1.41067673 0.569277 0.2915218 2.4373081 1.94168703 0.34863663 1.9190498 0.69497815 1.93170013 3.45627818 2.1986113 -0.92400792 -0.3279602 1.84145712 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2696-84-6 75908 144213747 A Ac 4-Propylaniline Nc1ccc(CCC)cc1 Tox21_303437 -NCGC00164164-02 196727646 tox21-ror-cho-viability-p1 set3 4 -3.71614775 -1.04918489 -5.02215485 -4.70643742 -1.13736725 -5.37409961 -3.33655287 -6.17486672 -0.79554829 -1.02990249 -4.33929248 0 -13.36422586 -7.71146513 -2.82072258 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00255871-01 196728061 tox21-ror-cho-viability-p1 set3 4 2.29603355 6.79026161 -1.54910852 1.47157715 10.05740373 6.62019548 2.75234258 3.71003981 5.31857192 10.25230145 0.08409585 0.21888098 1.7002627 2.70092438 2.90597109 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2403-89-6 75472 144212394 A A 1,2,2,6,6-Pentamethylpiperidin-4-ol CC1(C)CC(O)CC(C)(C)N1C Tox21_302077 -NCGC00257531-01 196728063 tox21-ror-cho-viability-p1 set3 4 0 1.83579751 -3.17839509 5.98514608 -1.34329604 4.49999841 -0.2294028 7.36805837 6.85361989 7.89221358 -1.13802002 -5.98745909 -1.19698434 1.63319868 1.99747426 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7631-86-9 24261 144211605 Silica O=[Si]=O Tox21_301288 -NCGC00260173-01 196703710 tox21-ror-cho-viability-p1 set1 4 -0.92995659 1.78419527 -2.41271629 3.18974716 -1.14973995 1.73724524 2.90233673 -1.04854549 2.71861477 -17.11472858 3.00987635 -1.54228386 3.46978304 4.04485905 3.24249454 1.195E-9 2.672E-9 5.975E-9 1.336E-8 2.987E-8 6.6799999999E-8 1.494E-7 3.34E-7 7.468E-7 0.0000016699999999 0.0000037339999999 0.00000835 0.00001867 0.00004175 0.000093349999999 169051-76-7 11750474 144209823 A Ac 1,2-Dimethyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide Cc1[n+](CCC)ccn1C.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F Tox21_202625 -NCGC00090686-07 196703294 tox21-ror-cho-viability-p1 set1 4 43.2771256911 -6.9781162919 4.5 -2.4781162919 3.9294729863 0.4483639349 0.2301510831 4.64895067 3.60214375 6.21954153 3.72149684 2.62054578 2.83993473 7.51158807 5.33831897 8.10412658 -0.15224451 3.63666336 5.085385 4.47114238 1.51116464 -2.06509691 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00357032-01 196703693 tox21-ror-cho-viability-p1 set1 4 -1.10126217 -1.0960492 -0.96836134 -0.11642194 0.45246317 3.51632959 0.21381563 -0.58793488 -1.55380457 3.51692828 8.09215786 -3.7884427 0.00821973 -0.00048876 -2.5241655 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-01-0 8501 251919858 F 4-Chlorobenzoyl chloride O=C(Cl)c1ccc(Cl)cc1 Tox21_303719 -NCGC00260115-01 196703706 tox21-ror-cho-viability-p1 set1 4 -5.18156599 2.67672401 3.43216189 -0.02494229 -0.20436451 0.11847656 -0.09863033 1.26083832 -0.14000267 0.58329476 4.2513715 0.4553433 -4.448543 0.75184841 0.11576782 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003673 0.0000082119999999 0.000018359999999 0.00004106 0.000091819999999 5460-09-3 23664361 144209764 Fns 4-Amino-5-hydroxy-2,7-naphthalenedisulfonic acid monosodium salt [Na+].[O-]S(=O)(=O)c2cc1cc(cc(O)c1c(N)c2)S(=O)(=O)O Tox21_202566 -NCGC00357048-01 196704116 tox21-ror-cho-viability-p1 set1 4 -3.1386436 0.3651596 0.0782338 -3.94272123 -0.21805626 -3.44682886 -7.28348871 0.69574245 0.85452409 -3.30921827 3.85162033 -0.35571664 0.32511669 0.785247 0.82209247 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 868-57-5 13357 251919958 Fc Methyl 2-methylbutyrate CC(CC)C(=O)OC Tox21_303742 -NCGC00260560-01 196704118 tox21-ror-cho-viability-p1 set1 4 -2.21230785 -10.80696708 -3.06934453 -0.90162562 -11.51403497 -6.98981448 -2.76826155 -6.45452127 -0.77590501 -12.78278651 -9.86843841 -13.66710412 2.63397288 -6.07730373 -2.05287745 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49456 144210213 M M NTP Mix68 CT1 62-EQP Tox21_203015 -NCGC00090952-07 196704128 tox21-ror-cho-viability-p1 set1 4 1.02651789 -1.24736644 -0.57140414 -3.49815883 -3.08451354 0.09016184 1.42289846 -2.75378788 1.25162359 -9.81891861 -6.09403843 -3.79194337 -0.70810115 -0.67256627 -10.47602792 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00254919-01 196699156 tox21-ror-cho-viability-p1 set1 -2.4 27.3060203028 -25.3742491759 1.5 -23.8742491759 2.09374246 0.9402910923 0.0000221383 -0.73791365 0.47819092 2.88814748 0.98864665 1.30467124 2.90290175 -1.10327371 2.28963749 0.78495609 0.51310398 0.96303145 3.0634418 -8.9670712 -13.7509879 -23.22854098 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7696-12-0 83975 144211334 B B Tetramethrin C\C(C)=C/C3C(C(=O)OCN2C(=O)C=1CCCCC=1C2=O)C3(C)C Tox21_301017 -NCGC00254506-01 196698745 tox21-ror-cho-viability-p1 set1 4 68.5896218971 16.737215412 -1.737215412 15 4.0949729863 0.8431756061 0.0028156649 -2.14983287 -0.22611943 0.79733871 -5.19767951 -2.7766173 -2.26558611 -2.99575812 -2.33336779 -1.13764082 -0.16250696 -2.19808465 -0.27440173 -1.50311774 0.28408961 11.23438607 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-27-2 7603 144210831 A A N-Ethyl-3-methylaniline CCNc1cc(C)ccc1 Tox21_300513 -NCGC00091602-02 196699140 tox21-ror-cho-viability-p1 set1 4 1.30828273 0.44379774 0.70225473 0.46984565 -1.08385673 0.14535126 4.05683258 2.89143535 2.45337327 0.89038797 -0.03433895 1.38454552 -0.8496841 2.23902014 -0.27723793 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00253958-01 196699144 tox21-ror-cho-viability-p1 set1 4 4.25548151 3.29544211 2.6306373 1.31573378 1.00775836 1.28192963 -0.85932519 -1.91998992 -0.53032096 2.66705634 0.07006028 0.94039526 0.77909619 0.19148378 -1.97225962 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-05-0 8158 144210342 A A Nonanoic acid O=C(O)CCCCCCCC Tox21_300022 -NCGC00254016-01 196699565 tox21-ror-cho-viability-p1 set1 -2.4 14.6553108271 -22.814997192 0 -22.814997192 2.3331733767 0.6929145944 0.0412826755 -3.61823008 3.70266896 1.24773211 2.54374625 0.93814878 1.1328967 -1.57962758 -11.87826544 2.78473261 0.85446795 0.3930944 2.44098813 -20.38778974 -11.66469735 -27.76249766 1.135E-9 2.5379999999E-9 5.674E-9 1.269E-8 2.837E-8 6.3439999999E-8 1.419E-7 3.1719999999E-7 7.093E-7 0.000001586 0.000003547 0.0000079299999999 0.000017729999999 0.000039649999999 0.00008866 20325-40-0 62311 144210634 FNS 3,3'-Dimethoxybenzidine dihydrochloride Cl.Cl.Nc1ccc(cc1OC)c2ccc(N)c(OC)c2 Tox21_300315 -NCGC00255207-01 196701475 tox21-ror-cho-viability-p1 set1 4 5.4482673282 -10.6668121279 0 -10.6668121279 4.9549173134 0.7230805143 0.0287175267 3.23153322 4.55312669 -4.68848208 0.09740705 -0.8655918 -4.5152062 4.49919892 -3.46143717 -0.0263054 -0.53755348 0.89428919 -10.91239374 -8.99342462 -10.97234344 -10.57183084 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6789-88-4 23235 144212664 A F Hexyl benzoate O=C(OCCCCCC)c1ccccc1 Tox21_302347 -NCGC00255837-01 196701458 tox21-ror-cho-viability-p1 set1 4 -4.18423908 2.90488253 3.53190219 0.18122345 -1.94877334 -3.54022267 -6.95440696 -5.80104762 1.52132561 4.7006128 3.26466783 0 2.2891992 -1.60694595 -0.45631893 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-89-8 7465 144211640 A A 4-Isopropylphenol CC(C)c1ccc(O)cc1 Tox21_301323 -NCGC00255360-01 196701474 tox21-ror-cho-viability-p1 set1 4 0.56910577 1.37452874 1.90016903 0.01702142 -5.53951897 1.135557 -0.77419253 4.33049183 0.87127975 0.90178458 2.84759568 1.41023217 0.13604436 1.31296773 2.23419531 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 150-69-6 9013 144211657 A A Dulcin CCOc1ccc(cc1)NC(N)=O Tox21_301340 -NCGC00256257-01 196701476 tox21-ror-cho-viability-p1 set1 4 0.0013685429 8.329893424 -8.329893424 0 4.9549173134 0.429885366 0.24885855 -6.10824452 0.18399619 2.92165262 -1.52592693 -1.54384362 -2.82240441 0.02678553 -0.33721595 0.01446081 4.38636694 -0.66782583 -1.16135871 0.13886741 -0.097397 2.39103047 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7328-17-8 81766 144211935 A A 2-(2-Ethoxyethoxy)ethyl prop-2-enoate CCOCCOCCOC(=O)C=C Tox21_301618 -NCGC00166212-02 196722658 tox21-ror-cho-viability-p1 set3 4 11.69647064 4.54357396 -1.23750883 1.62189353 11.85379141 5.26637805 1.09534288 4.19006928 4.08034082 -8.03761733 12.04148877 7.40449273 6.24108176 4.59336009 -1.49651669 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 615-74-7 12008 170466879 F 2-Chloro-5-methylphenol Cc1ccc(Cl)c(O)c1 Tox21_112350_1 -NCGC00258916-01 196722248 tox21-ror-cho-viability-p1 set3 4 0.0015762198 26.036102312 -25.536102312 0.5 4.9549173134 0.5571100939 0.1296381647 -21.28008526 1.63368184 -0.87554793 -9.11554744 -3.12136791 -0.3283879 -2.65903442 -3.33020536 -1.24139201 3.66857694 0.15998903 1.00459485 -2.16197733 7.82024252 11.43771657 1.206E-9 2.6959999999E-9 6.028E-9 1.348E-8 3.014E-8 6.74E-8 1.507E-7 3.37E-7 7.535E-7 0.000001685 0.0000037679999999 0.000008425 0.00001884 0.000042119999999 0.000094189999999 1738-25-6 15615 144208562 A A 3-Dimethylaminopropionitrile N#CCCN(C)C Tox21_201364 -NCGC00259992-01 196722249 tox21-ror-cho-viability-p1 set3 4 30.2954503929 6.7410435959 -6.2410435959 0.5 3.6772481694 0.6129594763 0.0902634405 -6.04585235 -5.26109644 -3.51227425 -7.19169767 -6.97949901 -9.36753633 -3.9866107 -6.5148484 -7.44017506 -4.74257815 -5.91027212 -8.32090745 -3.73810314 -2.20436784 0.89292424 1.1689999999E-9 2.614E-9 5.845E-9 1.3069999999E-8 2.9229999999E-8 6.535E-8 1.461E-7 3.268E-7 7.3069999999E-7 0.0000016339999999 0.000003653 0.000008169 0.00001827 0.00004084 0.00009133 119-90-4 8411 144209641 A A 3,3'-Dimethoxybenzidine Nc1ccc(cc1OC)c2ccc(N)c(OC)c2 Tox21_202443 -NCGC00091643-08 196722654 tox21-ror-cho-viability-p1 set3 -2.4 10.8707224818 -21.267749428 1 -20.267749428 1.826479391 0.8396706765 0.0030498841 -0.2469093 1.87150537 -0.00582237 3.68654717 2.04601636 -0.72212792 -0.7027622 1.22695915 -6.21768064 7.87100108 -0.75819637 -7.010949 -17.80345321 -14.31049933 -21.88979119 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00167513-04 196722662 tox21-ror-cho-viability-p1 set3 4 0.3757803576 -9.7029082639 3 -6.7029082639 3.0654483358 0.6675411714 0.0650654486 7.56499739 0.39446074 7.21161215 0.95030167 -1.57518673 5.08143698 -1.09941813 3.78643031 -1.02837097 -7.67479569 -8.41067339 -8.91909022 -7.02204509 -1.24727756 13.69559644 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 443913-73-3 3081361 170465617 F Vandetanib CN4CCC(COc2cc3ncnc(Nc1ccc(Br)cc1F)c3cc2OC)CC4 Tox21_112511_1 -NCGC00095048-06 196723073 tox21-ror-cho-viability-p1 set3 4 -1.30289124 -7.95629203 -5.86346467 -1.82497784 -6.07759184 -13.92163188 -8.96960561 -6.98029424 -7.44792176 -10.42225314 1.27283548 -12.01923918 0.93839348 -2.31915427 -6.23522734 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54-91-1 4842 170465158 C Pipobroman O=C(CCBr)N1CCN(CC1)C(=O)CCBr Tox21_111402_1 -NCGC00249052-02 196723484 tox21-ror-cho-viability-p1 set3 4 0.0029849295 -25.656170332 24 -1.656170332 0.5 0.6407765501 0.0817935323 15.42682878 17.41107914 14.65007118 -1.75653842 4.00676159 9.61310408 5.23847794 4.99157762 -1.58977922 -5.54680861 3.07766689 -0.35603728 -4.90524045 1.62602785 15.42715349 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5743-49-7 68651 170465651 F Calcium levulinate [Ca+2].O.O.O=C([O-])CCC(C)=O.CC(=O)CCC([O-])=O Tox21_112315_1 -NCGC00090704-03 196723892 tox21-ror-cho-viability-p1 set3 4 1.49161705 1.92455115 1.53018418 -3.84079494 -0.7437717 2.55042854 3.13663655 -1.2253805 -0.92547396 5.07261729 1.68604726 6.38028301 -0.86083864 -1.92135095 1.93890899 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00260551-01 196723900 tox21-ror-cho-viability-p1 set3 4 0.0007497804 14.856799704 -15.856799704 -1 4.9549173134 0.4018573508 0.2710464321 -12.38066642 -0.20087224 -4.10847712 -5.66535652 1.92795808 -3.28878406 3.16041621 -1.33845416 -8.26209648 -1.02942241 5.6747718 -0.23361589 -1.9872742 -0.78987261 3.02556924 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49447 144210204 M M NTP Mix59 CT1 62-EQP Tox21_203006 -NCGC00255874-01 196728643 tox21-ror-cho-viability-p1 set3 4 -0.81476422 -5.01101741 2.88493917 -0.25106872 -0.24506223 -2.11007386 1.34491371 0.12657358 -0.43737816 2.8447087 0.9263255 -0.3340567 0.50782405 -6.52164157 -0.70846148 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.00001889 0.00004225 0.00009447 877-24-7 23676735 144211668 A A Monopotassium phthalate [K+].OC(=O)c1ccccc1C([O-])=O Tox21_301351 -NCGC00091759-02 196728236 tox21-ror-cho-viability-p1 set3 4 0.11595668 -0.12747138 -1.69986362 -1.62794098 1.07337424 2.42705483 4.97767794 3.98757472 1.97737973 2.65260787 0.55999283 -2.53091734 -0.67419263 -2.46118717 -0.74537848 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00255147-01 196729045 tox21-ror-cho-viability-p1 set3 4 6.1130564862 -8.6329027199 2.5 -6.1329027199 4.9549173134 0.4109468696 0.2616870491 0 1.54049369 -2.17225727 7.05993837 -0.67873202 -1.00316004 8.19854827 -2.65378975 0.72019 7.13838366 6.92414309 -6.06517115 -8.09789309 1.49029043 -10.9440856 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2855-19-8 17858 144211977 A 1,2-Epoxydodecane CCCCCCCCCCC1CO1 Tox21_301660 -NCGC00255161-01 196728632 tox21-ror-cho-viability-p1 set3 4 0.0017228934 19.3248539039 -17.3248539039 2 4.9549173134 0.4798121696 0.2136213451 -14.85404492 -0.10720197 -0.36095356 3.26238562 5.27237864 6.79443631 8.07914152 5.46850043 5.76297492 3.75050689 4.45983456 -7.82381937 -4.73284942 -4.05706398 -5.22638691 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 689-11-2 12715 144212020 A A sec-Butylurea CC(CC)NC(N)=O Tox21_301703 -NCGC00256195-01 196728649 tox21-ror-cho-viability-p1 set3 4 -0.83047564 9.44021955 -1.92852876 0.68567422 -1.05099277 -1.40860009 2.00619875 3.26663003 -1.44652912 2.2270826 0.16367858 -0.88861174 -1.23303606 -0.85865401 -0.43111644 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6837-24-7 81278 144211784 A A 1-Cyclohexylpyrrolidin-2-one O=C2CCCN2C1CCCCC1 Tox21_301467 -NCGC00090885-03 196729068 tox21-ror-cho-viability-p1 set3 4 3.86006938 -3.41943912 -0.50429878 5.2642526 -1.04215765 7.97216584 8.51316515 3.14732434 -0.23415896 6.30346949 -0.04464497 2.72339723 7.13568051 9.02975692 3.75771245 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00258153-01 196729459 tox21-ror-cho-viability-p1 set3 4 0.7459091 -0.4204195 0.09135074 -2.38330347 -0.74126177 -0.78768443 -4.90246438 -5.2151787 -0.64558377 -0.3230239 -0.62898738 0.86089822 2.10406544 0.1045076 3.77806838 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.000091989999999 827027-25-8 53260965 144207797 FNS Choline bis(trifluoromethylsulfonyl)imde FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C[N+](C)(C)CCO Tox21_200599 -NCGC00257984-01 196729473 tox21-ror-cho-viability-p1 set3 4 0.97601478 1.9402357 -1.39722508 0.43019489 4.18829739 3.19796244 0.9507344 2.48414766 -2.14321653 0.6906335 4.57769021 -2.08445274 0.17960433 -2.19119661 0.15281386 1.1679999999E-9 2.6109999999E-9 5.838E-9 1.305E-8 2.919E-8 6.5269999999E-8 1.459E-7 3.2629999999E-7 7.297E-7 0.0000016319999999 0.000003648 0.0000081579999999 0.000018239999999 0.000040789999999 0.000091209999999 97-30-3 64947 144207628 A Methyl alpha-D-glucopyranoside O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OC Tox21_200430 -NCGC00258455-01 196729475 tox21-ror-cho-viability-p1 set3 4 11.6780603292 13.6460736999 -2.6460736999 11 2.3331733767 0.5040622461 0.1917265809 1.61768084 -5.44059527 2.69036955 -4.68030732 0.97835652 2.25305488 -4.76035456 -3.74002653 -5.3608073 -5.53839475 -3.69349487 -3.89558507 14.78984337 6.24131084 1.63513552 1.1379999999E-9 2.544E-9 5.689E-9 1.2719999999E-8 2.844E-8 6.36E-8 1.422E-7 3.18E-7 7.111E-7 0.00000159 0.000003555 0.00000795 0.00001778 0.00003975 0.000088879999999 495-85-2 5281567 144208099 A A Methysticin O=C3C=C(C[C@H](/C=C/c1ccc2OCOc2c1)O3)OC Tox21_200901 -NCGC00258381-01 196729478 tox21-ror-cho-viability-p1 set3 4 0.0017509648 10.501695404 -8.501695404 2 4.9549173134 0.5228204901 0.1606697854 -7.08474617 0.91275363 2.01827971 0.74429024 1.4286796 1.1607968 0.98820712 1.80421002 1.21504854 9.30898483 -0.73022865 1.42550185 1.94459347 1.46681946 0.69238544 1.196E-9 2.6749999999E-9 5.981E-9 1.337E-8 2.9899999999E-8 6.6869999999E-8 1.4949999999E-7 3.3429999999E-7 7.476E-7 0.0000016719999999 0.0000037379999999 0.0000083589999999 0.00001869 0.00004179 0.00009345 111-48-8 5447 144208025 A A 2,2'-Thiobisethanol OCCSCCO Tox21_200827 -NCGC00163735-04 196729481 tox21-ror-cho-viability-p1 set3 4 57.7677653226 -25.4226806039 0.5 -24.9226806039 1.0999999999 0.7051497574 0.0359569886 2.68586261 0.38623425 -0.38549963 0.5290339 1.74535409 0.08089069 0.56344688 -1.08299744 1.73438551 -0.03043935 2.04126442 -11.66147586 0.14166968 -8.90667584 -17.43556717 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00257751-01 196729875 tox21-ror-cho-viability-p1 set3 4 68.5198756601 -19.0859559279 0.5 -18.5859559279 4.9549173134 0.9210361319 0.0000984402 1.07484558 0.92778434 0.74587708 0.07084536 -1.88789428 0.60299491 0.26341957 0.9240166 2.17693049 1.75043209 -1.73073609 0.71354364 1.70328394 0.43637868 -15.07162994 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.000008236 0.00001842 0.000041179999999 0.00009208 7758-94-3 10329304 144207395 Iron(II) chloride [Fe+2].[Cl-].[Cl-] Tox21_200197 -NCGC00257699-01 196729876 tox21-ror-cho-viability-p1 set3 4 1.64473634 1.09556975 -1.6242519 3.76957582 1.74535409 2.57432184 3.56746607 2.54040938 2.60215653 1.67538841 0.20587742 4.07537448 0.16671584 -3.60216925 -1.59770936 1.182E-9 2.644E-9 5.9109999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.305E-7 7.3889999999E-7 0.0000016519999999 0.0000036949999999 0.000008261 0.000018469999999 0.00004131 0.000092359999999 50-99-7 5793 144207343 FNS D-Glucose O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1O Tox21_200145 -NCGC00256863-01 196707386 tox21-ror-cho-viability-p1 set1 4 -0.12809225 4.18443534 1.07075111 0.83298538 3.12950673 2.50331245 2.46509507 0.2397888 4.06326303 3.21574773 0.92891204 -2.00158527 3.33083105 1.78597321 0.12523237 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-41-1 31255 144212964 AC Ac Choline hydroxide [OH-].C[N+](C)(C)CCO Tox21_302647 -NCGC00259552-01 196706565 tox21-ror-cho-viability-p1 set1 4 8.69243343 2.25435787 4.16655345 2.56396001 -1.62035803 2.72127359 1.78159503 -1.91767556 -22.43493642 3.02329547 -0.57186818 2.85674779 2.02432427 1.17054095 4.60706565 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.00004119 0.000092099999999 94-96-2 7211 144209201 A A 2-Ethyl-1,3-hexanediol CCCC(O)C(CC)CO Tox21_202003 -NCGC00257151-01 196706967 tox21-ror-cho-viability-p1 set1 4 4.5385518 1.73611878 0.20159109 3.37462026 4.25941283 2.52896296 10.49985278 9.04871224 4.76508092 2.95183054 8.70831878 4.01759953 7.05062639 4.82256411 11.9473911 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 629-59-4 12389 144213594 F Fns Tetradecane CCCCCCCCCCCCCC Tox21_303277 -NCGC00257229-01 196706970 tox21-ror-cho-viability-p1 set1 4 1.50488969 0.31543007 2.36382 -1.3566136 1.644573 0.70716023 -2.93516476 0.3179653 1.44505382 -2.17402966 0.3406828 3.92826493 0.78196059 0.2055153 2.92446703 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.586E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.0000036819999999 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009204 1646-88-4 9570093 144213583 A A Aldoxycarb CC(C)(/C=N/OC(=O)NC)S(C)(=O)=O Tox21_303266 -NCGC00256817-01 196707388 tox21-ror-cho-viability-p1 set1 4 3.52446236 2.29051327 3.30522117 -0.8130965 0.17276893 0.99180419 2.71617927 8.08519377 0.77774644 2.64886468 4.31440908 0.38587543 4.61014021 1.52366106 8.38249773 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2499-59-4 17258 144212845 A Ac Octyl prop-2-enoate CCCCCCCCOC(=O)C=C Tox21_302528 -NCGC00257486-01 196707804 tox21-ror-cho-viability-p1 set1 4 2.66522657 0.88798431 0.10937979 0.52844498 1.49186492 0.27802676 3.27767918 4.73475054 -0.81383085 -0.08319814 -0.43060499 9.70102887 0.1037125 2.9700008 2.51895063 2.536E-10 5.672E-10 1.268E-9 2.8359999999E-9 6.341E-9 1.4179999999E-8 3.171E-8 7.09E-8 1.585E-7 3.5449999999E-7 7.9269999999E-7 0.000001772 0.000003963 0.000008862 0.00001982 7785-70-8 82227 144213740 F (+)-alpha-Pinene CC2(C)[C@@H]1CC=C(C)[C@H]2C1 Tox21_303429 -NCGC00256890-01 196707816 tox21-ror-cho-viability-p1 set1 4 76.9588215421 15.5059443641 0.4940556359 16 4.9549173134 0.5106141497 0.1701787161 -0.39005222 -3.43542879 0.41377417 1.69170452 3.51368167 0.86757243 -4.58828697 -3.27519493 6.36773709 3.38033007 0.30164655 2.66489077 -0.05978564 0.95113986 11.90309605 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 541-47-9 10931 144212792 B 3,3-Dimethylacrylic acid C\C(C)=C/C(=O)O Tox21_302475 -NCGC00257491-01 196708223 tox21-ror-cho-viability-p1 set1 4 -2.03207437 1.92459888 3.8835836 1.28227515 -1.68414261 -1.58819391 1.06371237 4.0528591 -2.0609257 0.03486316 1.8685946 2.56880694 1.39636427 1.67966189 -2.23457331 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2321-07-5 16850 144213816 A A Fluorescein Oc4cc5Oc1cc(O)ccc1C3(OC(=O)c2ccccc23)c5cc4 Tox21_303508 -NCGC00256899-01 196708236 tox21-ror-cho-viability-p1 set1 4 -0.03015445 -1.02453677 0.63839389 0.2797823 1.48219017 1.72322943 5.16606156 7.88292618 5.46186361 -0.79561721 0.55343151 6.71928934 0.8001563 0.0856537 5.38816351 5.338E-10 1.194E-9 2.6689999999E-9 5.968E-9 1.335E-8 2.9839999999E-8 6.6729999999E-8 1.4919999999E-7 3.3359999999E-7 7.4599999999E-7 0.000001668 0.00000373 0.0000083409999999 0.00001865 0.0000417 77337-73-6 155434 144212923 Ac Acamprosate calcium [Ca+2].O=C(C)NCCCS(=O)(=O)[O-].CC(=O)NCCCS([O-])(=O)=O Tox21_302606 -NCGC00259748-01 196708631 tox21-ror-cho-viability-p1 set2 4 0.0247330352 11.8075477839 -15.9113899439 -4.10384216 0.7999999999 0.414837206 0.258382877 -8.83291513 -12.89147114 -14.09528714 -20.75949162 -4.82824325 -5.75485312 -5.73758747 -7.13951651 -1.93757847 -5.19593141 -5.35466449 -8.12173348 -1.7532018 -7.0969973 -5.80464499 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.0000016719999999 0.0000037379999999 0.000008358 0.00001869 0.00004179 0.00009344 1596-84-5 15331 144209397 A A Daminozide O=C(NN(C)C)CCC(=O)O Tox21_202199 -NCGC00259694-01 196708635 tox21-ror-cho-viability-p1 set2 4 1.17258351 1.40162283 1.91416836 -2.44275322 1.12980568 1.31448922 0.8254782 3.63913004 2.71664215 3.33499182 1.87238978 -2.32454182 1.92199557 1.11326418 3.35742344 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.000041429999999 0.000092629999999 131-11-3 8554 144209343 A A Dimethyl phthalate COC(=O)c1ccccc1C(=O)OC Tox21_202145 -NCGC00259343-01 196708639 tox21-ror-cho-viability-p1 set2 4 -0.31280145 0.45691925 -0.02647257 2.23474356 0.59454157 1.21371193 0.37753244 0.68323073 0.90093282 -0.07473992 -0.05060406 0.13107374 -1.48973264 -5.00634789 -5.23343474 1.195E-9 2.6729999999E-9 5.976E-9 1.336E-8 2.988E-8 6.682E-8 1.494E-7 3.341E-7 7.4709999999E-7 0.0000016699999999 0.000003735 0.000008352 0.000018679999999 0.000041759999999 0.000093379999999 3290-92-4 18689 144208992 Ac Ac Trimethylolpropane trimethacrylate O=C(OCC(COC(=O)C(=C)C)(CC)COC(=O)C(=C)C)C(=C)C Tox21_201794 -NCGC00259423-01 196708653 tox21-ror-cho-viability-p1 set2 4 1.07949518 -1.23550316 0.19994175 -1.54670716 0.50091091 1.00538395 5.02550288 -0.36575654 0.017727 0.37608673 0.36432708 -0.89829757 -1.03181359 0.35444962 -2.90712418 1.197E-9 2.676E-9 5.983E-9 1.338E-8 2.9909999999E-8 6.689E-8 1.496E-7 3.345E-7 7.479E-7 0.0000016719999999 0.0000037389999999 0.000008361 0.000018699999999 0.00004181 0.00009348 84-66-2 6781 144209072 A A Diethyl phthalate O=C(OCC)c1ccccc1C(=O)OCC Tox21_201874 -NCGC00259521-01 196706183 tox21-ror-cho-viability-p1 set1 4 5.78668543 8.98951808 1.95527366 -4.04515492 0.60752037 -0.31734349 3.44043317 3.31311238 -0.05983615 -0.13444278 2.48845126 4.72128485 1.47540159 4.14635773 3.77577955 1.158E-9 2.589E-9 5.789E-9 1.2939999999E-8 2.894E-8 6.472E-8 1.447E-7 3.2359999999E-7 7.2359999999E-7 0.000001618 0.000003618 0.0000080899999999 0.000018089999999 0.00004045 0.00009045 328-84-7 9481 144209170 AC Ac 1,2-Dichloro-4-(trifluoromethyl)benzene Clc1ccc(cc1Cl)C(F)(F)F Tox21_201972 -NCGC00247689-01 196705155 tox21-ror-cho-viability-p1 set1 4 2.37311635 1.51176777 -3.84583884 0.31549596 -3.77869069 0 2.138428 -5.18598603 -6.19290592 1.38875893 1.43171179 -6.92190805 1.27063401 0.01539809 -4.47978775 1.327E-9 2.968E-9 6.636E-9 1.484E-8 3.3179999999E-8 7.419E-8 1.659E-7 3.71E-7 8.295E-7 0.0000018549999999 0.000004147 0.0000092739999999 0.000020739999999 0.00004637 0.0001037 5156-58-1 60196318 144206392 A A N-(1-Benzyl-4-piperidyl)-N-phenylpropanamide hydrochloride Cl.CCC(=O)N(C2CCN(Cc1ccccc1)CC2)c3ccccc3 Tox21_112839 -NCGC00160628-03 196704744 tox21-ror-cho-viability-p1 set1 4 -0.97266684 -0.95749495 1.62535342 1.10489064 1.73988268 -0.46776046 1.25558226 1.69707006 -0.42734908 0.89390025 -0.91200687 2.014167 1.40007554 1.99550255 1.2358497 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 153-18-4 5280805 170465691 A Rutin trihydrate Oc1ccc(cc1O)C=4Oc5cc(O)cc(O)c5C(=O)C=4O[C@@H]3O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]3O Tox21_111945_1 -NCGC00090776-02 196704752 tox21-ror-cho-viability-p1 set1 4 -0.39339592 6.25023757 0.68077484 0.51258806 0.31643527 0.42625749 -1.01498709 0.15863179 3.04249145 1.87491992 0.97697887 0.10871958 4.03402472 1.62342959 2.29940586 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00259437-01 196705565 tox21-ror-cho-viability-p1 set1 4 2.4113945449 9.0637714 -10.0637714 -1 4.9549173134 0.590465896 0.1040966155 -11.56193106 -7.23621333 -9.13969632 -16.7198095 -8.32340443 -8.16605093 -6.57559191 -12.34074158 -7.19496371 -14.69209839 3.7483547 -6.60476676 -0.38727152 0.50588275 -1.35919724 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 119-53-9 8400 144209086 A A Benzoin OC(C(=O)c1ccccc1)c2ccccc2 Tox21_201888 -NCGC00258802-01 196705570 tox21-ror-cho-viability-p1 set1 4 -5.39666051 -4.22768072 -0.30308224 -2.61382118 -0.93474861 -1.09808859 -3.38085492 -0.03396967 0.72456275 -0.72885779 -3.52783374 -9.22396967 -7.39248719 -0.76048684 -0.42908704 1.1679999999E-9 2.6109999999E-9 5.8389999999E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.299E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.000040799999999 0.000091239999999 5332-73-0 1672 144208448 AC Fc 3-Methoxypropylamine NCCCOC Tox21_201250 -NCGC00259675-01 196705580 tox21-ror-cho-viability-p1 set1 4 3.00753378 -5.15656398 -3.96416968 4.12971478 1.03826823 -2.98328099 0.98614713 -1.72656485 8.47175029 0 -0.38241652 0.4790943 3.45843405 -3.66153714 -1.63267754 1.196E-9 2.6749999999E-9 5.982E-9 1.338E-8 2.9909999999E-8 6.6879999999E-8 1.496E-7 3.344E-7 7.478E-7 0.0000016719999999 0.0000037389999999 0.00000836 0.00001869 0.000041799999999 0.00009347 12645-31-7 14050 144209324 A F 2-Ethylhexyl phosphate OP(O)(=O)OCC(CCCC)CC Tox21_202126 -NCGC00259219-01 196705581 tox21-ror-cho-viability-p1 set1 4 0.3113704653 -4.327619664 1.5 -2.827619664 3.9294729863 0.3294416269 0.3575826152 0.468736 1.36476239 0.7038017 4.13649145 0.00749183 1.32965756 0.69030431 0.03559496 -8.60634972 -6.64424742 1.37275462 -4.87278868 0.09993991 1.32774994 0.63985306 1.196E-9 2.6729999999E-9 5.978E-9 1.337E-8 2.989E-8 6.684E-8 1.494E-7 3.3419999999E-7 7.4719999999E-7 0.000001671 0.000003736 0.0000083539999999 0.000018679999999 0.00004177 0.000093409999999 107-87-9 7895 144208868 FNS 2-Pentanone CC(=O)CCC Tox21_201670 -NCGC00163930-04 196705985 tox21-ror-cho-viability-p1 set1 -2.4 54.4826732819 -24.0891156119 0 -24.0891156119 3.9294729863 0.7008584231 0.037771828 -7.58458017 -0.99086626 0.80750251 -0.90694573 5.3445454 1.99443171 -0.98968346 4.39263224 -7.81274719 1.88560948 3.19770806 1.4691295 0.4554849 -6.0278177 -21.32426301 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00259464-01 196705987 tox21-ror-cho-viability-p1 set1 4 -8.87144014 -3.26740159 -9.80886279 -8.88015926 -10.19536976 1.03658214 -3.64452473 -7.1810402 0.2640175 -13.87777642 2.25118842 -6.58808751 -3.66733751 -10.45808094 -11.23741923 1.1759999999E-9 2.63E-9 5.8799999999E-9 1.315E-8 2.94E-8 6.574E-8 1.4699999999E-7 3.2869999999E-7 7.35E-7 0.0000016439999999 0.0000036749999999 0.000008218 0.000018379999999 0.00004109 0.00009188 88671-89-0 6336 144209113 A A Myclobutanil Clc1ccc(cc1)C(CCCC)(Cn2cncn2)C#N Tox21_201915 -NCGC00259386-01 196706393 tox21-ror-cho-viability-p1 set1 4 -0.02009 0.64455988 5.63546321 4.53827034 2.00873205 -2.14102363 -0.13268634 -3.58215444 -0.07883901 8.18638898 2.18356798 3.16468592 -0.01514561 3.56055831 5.61644612 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.56E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003667 0.0000082 0.00001834 0.000041 0.00009168 680-31-9 12679 144209035 A A Hexamethylphosphoramide CN(C)P(=O)(N(C)C)N(C)C Tox21_201837 -NCGC00259601-01 196706415 tox21-ror-cho-viability-p1 set1 4 9.25424278 6.54858407 2.41558092 2.10052634 4.39994065 1.6740343 0.96694046 -0.47349623 1.57987411 3.86523222 3.73338755 0.29777463 1.19392731 0.99882266 0.31505902 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 77-06-5 6466 144209250 A A Gibberellic acid O=C(O)[C@H]3[C@@H]5[C@]1(C)C(=O)O[C@]5(C=C[C@@H]1O)[C@@H]4CC[C@]2(O)C[C@]34CC2=C Tox21_202052 -NCGC00258946-01 196706815 tox21-ror-cho-viability-p1 set1 4 -0.27394841 1.39460943 -1.60039418 1.0308302 1.92902765 2.51729401 1.33729421 -0.63833943 0.19109363 11.24731865 0.5515972 0.07702962 -1.02276654 4.77348466 -0.85944739 1.146E-9 2.563E-9 5.7309999999E-9 1.281E-8 2.865E-8 6.407E-8 1.433E-7 3.203E-7 7.163E-7 0.000001602 0.0000035819999999 0.000008009 0.00001791 0.000040039999999 0.00008954 72178-02-0 51556 144208593 A A Fomesafen Clc2cc(ccc2Oc1cc(C(=O)NS(C)(=O)=O)c(cc1)[N+]([O-])=O)C(F)(F)F Tox21_201395 -NCGC00357137-01 196703934 tox21-ror-cho-viability-p1 set1 4 9.6885416101 -9.942435076 1.5 -8.442435076 3.0654483358 0.5167898152 0.163958721 6.26201937 -1.09560882 2.09686244 -0.9938819 -5.64634697 -1.87010868 6.77455907 1.5399838 3.73049354 2.64923262 0.05484763 0.22037465 -12.45202923 -2.83715785 -10.67285668 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-85-2 7623 251919839 F Tributyl phosphite CCCCOP(OCCCC)OCCCC Tox21_303877 -NCGC00356970-01 196724697 tox21-ror-cho-viability-p1 set3 -2.2 61.130564862 -51.4135318508 -1.41646639 -52.8299982408 2.5334283767 0.9446766332 0.0000146149 -4.48874547 3.40288113 -3.1138895 0.59754158 0.13044906 -3.91057856 4.14193796 -3.86216638 -2.25173705 -1.78734819 -1.39000223 -0.92108488 -4.63845782 -14.81086576 -40.02272594 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 609-23-4 11862 251919660 A 2,4,6-Triiodophenol Ic1cc(I)c(O)c(I)c1 Tox21_303909 -NCGC00260202-01 196724282 tox21-ror-cho-viability-p1 set3 4 -2.64168805 -0.16899815 2.83077128 1.5089518 1.69762982 -1.18036776 0.18807285 -2.13169182 -0.61842897 -0.20307955 -3.47307333 2.52702073 -2.87587673 -1.26242715 0.14214226 1.188E-9 2.657E-9 5.942E-9 1.3289999999E-8 2.971E-8 6.6429999999E-8 1.4849999999E-7 3.321E-7 7.427E-7 0.0000016609999999 0.000003714 0.000008304 0.00001857 0.00004152 0.00009284 119171-18-5 12971008 144209852 A A 1-Methyl-3-propylimidazolium iodide [I-].C[n+]1ccn(CCC)c1 Tox21_202654 -NCGC00260665-01 196724699 tox21-ror-cho-viability-p1 set3 4 -1.95636899 -1.35064579 1.36986371 3.83501636 -5.41762042 -3.0383328 0.01185937 1.3688248 -2.02039939 1.45118511 0.68114929 -1.93880345 0.15708546 -0.76357459 1.02544602 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49561 144210318 M M NTP Mix31 AR2 7-EQC Tox21_203120 -NCGC00260459-01 196724700 tox21-ror-cho-viability-p1 set3 -2.4 34.7961750105 -39.53154074 6 -33.53154074 0.4 0.7153932068 0.0315426815 3.18326386 7.23566081 7.94940367 0.74242443 11.38413486 -0.71269289 -0.52360883 -1.22083389 -1.48983067 -2.01725011 -2.64629651 -13.99158586 -10.73571913 -3.76374109 -26.27628395 1.1919999999E-9 2.6659999999E-9 5.9609999999E-9 1.333E-8 2.98E-8 6.664E-8 1.49E-7 3.332E-7 7.451E-7 0.0000016659999999 0.000003726 0.0000083309999999 0.00001863 0.000041649999999 0.000093139999999 3331-46-2 95717 144210111 A A 9,10-Dihydrobenzo[a]pyren-7(8H)-one O=C5CCCc1c5cc2ccc4cccc3ccc1c2c34 Tox21_202913 -NCGC00168352-02 196725125 tox21-ror-cho-viability-p1 set3 4 0 0 -6.47196392 -6.26437366 4.21031629 1.09244096 5.27236918 5.83253613 -3.11422582 7.46081991 -11.51348436 -3.35941381 1.24826313 -10.81589744 -8.81233438 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7696-12-0 83975 170466513 I Tetramethrin C\C(C)=C/C3C(C(=O)OCN2C(=O)C=1CCCCC=1C2=O)C3(C)C Tox21_112623_1 -NCGC00093366-05 196725132 tox21-ror-cho-viability-p1 set3 4 0.0749780386 9.5 2 11.5 0.6 0.4513851598 0.2237458598 4.33341211 1.38279224 4.39364159 1.87456056 7.94068114 5.92119183 0 9.15391612 14.02736074 9.29487689 5.56434451 17.72357234 7.90797333 9.08144654 12.37958642 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98-50-0 7389 170465635 Z (4-Aminophenyl)arsonic acid O=[As](O)(O)c1ccc(N)cc1 Tox21_111204_1 -NCGC00163930-04 196725532 tox21-ror-cho-viability-p1 set3 4 2.19070691 0.65484592 10.94451714 0 5.19986068 8.13211136 8.24278581 6.40310455 3.76936882 1.74324436 -2.22351789 -3.09712562 15.62228657 18.74832026 -8.04754716 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00015987-09 196725535 tox21-ror-cho-viability-p1 set3 4 0.08354986 0.16790125 -6.23217291 -6.43084617 -9.36909676 3.26871766 -3.9360493 1.3742867 -0.85984634 -0.75871139 -2.70862106 0.81904128 -3.46882664 3.26055167 0.68335937 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80880-90-6 5387 170466639 A Telenzepine CN1CCN(CC1)CC(=O)N3c2c(csc2C)C(=O)Nc4ccccc34 Tox21_110274_1 -NCGC00091044-02 196725536 tox21-ror-cho-viability-p1 set3 4 0.0023177996 10.553501608 -10.053501608 0.5 3.5117481694 0.6891304035 0.0535820546 -9.21125134 -4.34449521 1.70963329 -0.54356303 -1.72486826 1.2417177 2.26011602 1.34750638 0.3292181 -4.66030097 0.38735598 1.52412903 -0.51340142 1.40826862 -9.1857455 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00254359-01 196720230 tox21-ror-cho-viability-p1 set3 4 3.8570778872 13.8264343119 -8.8264343119 5 0.3 0.6096343364 0.0909327054 -8.25437433 -9.43869526 -7.53667554 -6.29624347 -4.14453249 -0.66228019 -8.44000331 -4.12525716 -4.63455646 -0.87217704 -3.20692632 -6.35536889 1.9030291 1.65591679 2.84183816 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 64-86-8 6167 144210899 A A Colchicine CC(=O)N[C@H]2CCc3cc(OC)c(OC)c(OC)c3C1=CC=C(OC)C(=O)C=C12 Tox21_300582 -NCGC00254172-01 196720665 tox21-ror-cho-viability-p1 set3 4 0.0401714821 -6.92082966 7 0.07917034 4.9549173134 0.3867893838 0.2850416823 6.83408085 7.73548641 9.45384777 0.40505156 11.20334358 -4.24476589 -2.63274549 1.14651753 -1.73188579 -4.51735805 9.05396096 -2.72311302 4.97853062 0.31262991 0.07330557 1.109E-9 2.4799999999E-9 5.5449999999E-9 1.2399999999E-8 2.772E-8 6.199E-8 1.3859999999E-7 3.1E-7 6.931E-7 0.00000155 0.000003465 0.000007749 0.00001733 0.00003874 0.00008664 181640-09-5 60196402 144210548 A B SR144190 Cl.O=C(N3C[C@](CCN1CCC(NC(=O)N(C)C)(CC1)c2ccccc2)(OCC3)c4ccc(F)c(F)c4)c5ccccc5 Tox21_300228 -NCGC00259409-01 196721055 tox21-ror-cho-viability-p1 set3 4 15.85931181 20.33031837 11.34226798 17.98211262 -2.69655782 11.39601642 13.13162113 11.48103101 12.67352563 8.58193063 11.96362182 16.96816419 9.98269139 5.48455151 4.93782997 1.167E-9 2.609E-9 5.8339999999E-9 1.305E-8 2.917E-8 6.523E-8 1.459E-7 3.261E-7 7.2929999999E-7 0.000001631 0.000003646 0.000008154 0.00001823 0.00004077 0.000091159999999 621-64-7 12130 144209058 A A N-Nitrosodipropylamine CCCN(CCC)N=O Tox21_201860 -NCGC00259583-01 196721060 tox21-ror-cho-viability-p1 set3 4 -6.53884145 -3.88156683 0.29219408 1.75527196 -2.42232197 -4.21728885 -5.39388349 -4.46621359 -4.23654315 -0.6868054 -5.28271385 -4.81226092 -4.24448732 -4.54483846 -4.30337982 1.171E-9 2.617E-9 5.8529999999E-9 1.3089999999E-8 2.926E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.316E-7 0.0000016359999999 0.000003658 0.00000818 0.00001829 0.0000409 0.00009145 101-02-0 7540 144209232 FC Ac Triphenyl phosphite O(P(Oc1ccccc1)Oc2ccccc2)c3ccccc3 Tox21_202034 -NCGC00259777-01 196721062 tox21-ror-cho-viability-p1 set3 4 -13.84629715 -11.45105538 -10.49134809 -2.43780608 -12.54794605 -1.05434142 -5.14569244 -6.39630873 -4.49869593 -6.34896613 -3.9941467 -14.18835772 -8.17823794 -10.18550124 -8.86010469 1.159E-9 2.592E-9 5.797E-9 1.2959999999E-8 2.898E-8 6.481E-8 1.449E-7 3.241E-7 7.246E-7 0.00000162 0.000003623 0.000008101 0.00001812 0.00004051 0.000090579999999 33820-53-0 36606 144209426 A A Isopropalin [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)C(C)C Tox21_202228 -NCGC00163953-03 196721066 tox21-ror-cho-viability-p1 set3 -2.1 57.7677653226 -111.4453504059 12 -99.4453504059 2.3031167061 0.9738704465 2.209E-7 12.99112932 12.72179473 18.38675758 18.63207033 13.15612497 14.01898771 11.11744481 11.22428107 12.10592502 4.07127813 5.2460836 9.17038037 0.69215307 -26.23113635 -75.06318721 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00259326-01 196721454 tox21-ror-cho-viability-p1 set3 4 -3.62733501 -6.08388042 -4.66414522 0.13489594 -6.66126806 -5.41277898 -4.24567011 -5.66590763 -4.11075793 -4.16877691 -3.40984071 -4.87113224 -6.083067 -7.32599815 -4.19304428 1.1999999999E-9 2.6819999999E-9 5.9979999999E-9 1.3409999999E-8 2.999E-8 6.7059999999E-8 1.4989999999E-7 3.353E-7 7.497E-7 0.000001676 0.000003749 0.0000083819999999 0.000018739999999 0.00004191 0.00009371 608-73-1 727 144208975 D 1,2,3,4,5,6-Hexachlorocyclohexane ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl Tox21_201777 -NCGC00258792-01 196721474 tox21-ror-cho-viability-p1 set3 4 -12.60704686 -6.11714359 -7.0289192 3.38344612 -2.71262435 -6.35945738 -3.90739134 -2.06759675 -3.96912266 1.8942844 -2.23919917 -6.92639924 -6.93536935 1.37848761 2.74825762 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.000001671 0.0000037379999999 0.000008357 0.00001869 0.00004179 0.00009344 2550-26-7 17355 144208438 A A Benzylacetone CC(=O)CCc1ccccc1 Tox21_201240 -NCGC00259447-01 196721872 tox21-ror-cho-viability-p1 set3 4 -11.43537434 -4.98762809 -7.13372809 -0.09810384 -7.52665607 -4.53887162 -10.31420125 -7.17347497 -7.56905927 1.72051568 -11.8589836 -5.96564306 -5.41598239 -2.3392656 1.17348215 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.000018359999999 0.000041049999999 0.000091779999999 2044-64-6 16278 144209096 A B N,N-Dimethylacetoacetamide CC(=O)CC(=O)N(C)C Tox21_201898 -NCGC00256954-01 196718999 tox21-ror-cho-viability-p1 set2 4 -2.35611687 -2.20508526 -0.32539283 -0.46694883 -0.25564531 -5.55770893 -0.8531585 -0.86890944 -1.0967769 -0.88413072 -0.2927496 -1.48671236 -1.18391387 -2.02871607 -1.23369328 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 3926-62-3 23665759 144213461 F Sodium chloroacetate [Na+].[O-]C(=O)CCl Tox21_303144 -NCGC00256793-01 196718979 tox21-ror-cho-viability-p1 set2 4 34.3762428541 -9.54469682 2 -7.54469682 1.01 0.5756391814 0.1171341162 2.1807705 1.65521247 2.12361894 5.97090634 2.96437174 -0.95262257 1.08265319 0.82034249 1.63603774 4.97785737 1.57759162 -3.01402714 -0.53482655 -1.3849747 -6.28724735 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 502-61-4 5281516 144213931 F Fns alpha-Farnesene C/C(C)=C\CCC(\C)=C\C\C=C(/C)C=C Tox21_303626 -NCGC00256546-01 196718990 tox21-ror-cho-viability-p1 set2 4 48.3602777053 -12.637288996 0.5 -12.137288996 2.2481167061 0.702997209 0.0374496416 -0.9512575 -1.29282888 -2.04904412 4.34342548 2.21225311 -0.25288322 -0.94422771 1.3387612 -0.89850729 2.07667182 2.34187057 -2.13254815 -0.06562461 -4.80902926 -9.69774083 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004107 0.00009184 2164-09-2 16560 144213070 A A Chloranocryl Clc1ccc(NC(=O)C(=C)C)cc1Cl Tox21_302753 -NCGC00015675-08 196725824 tox21-ror-cho-viability-p1 set3 4 0.0034376243 11.6330257119 -11.1330257119 0.5 0.5999999999 0.604202224 0.0954860715 -7.61085476 -6.1202389 -2.51066697 -5.19247899 -0.88641036 -1.60504782 -0.24861251 2.48163868 -3.94438155 -1.13388079 0.03665683 3.7185444 -1.15682714 2.55788147 -1.57018132 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00166125-02 196725396 tox21-ror-cho-viability-p1 set3 4 0.0668242473 5.099621832 0.400378168 5.5 4.9549173134 0.4944754337 0.2022393183 3.64210532 -1.74968486 -1.4611409 3.37572053 1.26101806 -1.7047149 3.5216876 7.8373026 10.36657411 5.35902347 5.87626591 4.11689725 2.47367444 2.71247833 0.44108368 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6284-40-8 8567 170465359 Z Meglumine O[C@H]([C@@H](O)CNC)[C@H](O)[C@H](O)CO Tox21_112330_1 -NCGC00095166-04 196725400 tox21-ror-cho-viability-p1 set3 4 0.0163534628 5.2701512399 -5.2701512399 0 3.5117481694 0.4383962963 0.2368904102 -7.07452614 -8.1417927 -0.43589432 -6.45925718 -4.51031891 -3.38177887 3.38048667 2.1950839 -0.78804857 0.18106759 0.76323074 -3.42429193 1.18302008 -6.28388331 3.23624465 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 2971-90-6 18087 170465668 A Clopidol Oc1c(Cl)c(C)nc(C)c1Cl Tox21_111465_1 -NCGC00183851-01 196725819 tox21-ror-cho-viability-p1 set3 4 0.1834888704 8.4150545759 -7.4150545759 1 0.7999999999 0.6308327861 0.076581682 -3.07316343 -14.51254548 -6.19876851 -6.85867223 -5.93292066 -3.8043052 -6.50681944 -5.04375835 -3.51206783 -3.81930406 0.87966707 1.25268984 -0.35966915 1.21047858 -0.07917578 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 3979-76-8 60196350 144206836 Z Fns Mebanazine NNC(C)c1ccccc1.O=S(=O)(O)O Tox21_113285 -NCGC00018256-06 196725828 tox21-ror-cho-viability-p1 set3 2.2 0.26603212 42.879636244 -6.879636244 36 0.3 0.703533607 0.0450797357 0.79554132 -2.39969687 -0.65244969 0 13.40052648 9.65453866 17.66376337 1.46609526 20.11621848 11.18487591 17.98767202 31.65352831 20.26061469 25.56981362 9.20398885 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-10-2 5748 170465282 A Oxyphenonium bromide [Br-].OC(C(=O)OCC[N+](C)(CC)CC)(c1ccccc1)C2CCCCC2 Tox21_110851_1 -NCGC00273481-01 196726228 tox21-ror-cho-viability-p1 set3 4 1.16851347 0.44141092 0 -0.31769842 0.7504229 -0.54200622 9.27919469 -2.53961426 0.3859369 -0.33145149 -1.37086392 0.50922905 -0.9995201 -1.32545166 1.65392282 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1553-34-0 64722 170465287 A Metixene hydrochloride Cl.CN1CCCC(C1)CC2c4ccccc4Sc3ccccc23 Tox21_110510_1 -NCGC00167445-02 196726243 tox21-ror-cho-viability-p1 set3 4 0.1031833745 4.0022426079 -0.0022426079 4 4.9549173134 0.3893584254 0.284703921 -0.92418401 -2.50186884 0.79068807 1.17058867 1.33956516 -0.63826716 0.79437014 -1.14495526 9.27446239 3.45255703 0.33807675 -1.14817948 6.56809098 6.62540916 3.95474312 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 10402-53-6 73356 170465851 A Eprazinone dihydrochloride Cl.Cl.O=C(c1ccccc1)C(C)CN3CCN(CC(OCC)c2ccccc2)CC3 Tox21_112449_1 -NCGC00016421-07 196726249 tox21-ror-cho-viability-p1 set3 4 -9.64728457 -0.00232244 -4.73304975 1.19282933 -0.32384806 1.71298564 -1.66133859 1.32526782 -6.15562426 -7.65151002 0.08364293 -3.52451169 -1.50832797 2.58034379 0.13078351 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 303-25-3 67533 170465270 A Cyclizine hydrochloride Cl.Cl.CN1CCN(CC1)C(c2ccccc2)c3ccccc3 Tox21_110433_1 -NCGC00257348-01 196726647 tox21-ror-cho-viability-p1 set3 4 -1.62710902 2.24759467 3.0472154 1.3572828 -1.25536183 3.61808731 2.07783752 1.17363818 3.36595442 1.25810419 2.86431768 -1.17127062 -0.45912632 0.86511868 -0.70602363 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4130-42-1 20087 144213709 A F 2,6-Di-tert-butyl-4-ethylphenol CC(C)(C)c1cc(cc(c1O)C(C)(C)C)CC Tox21_303397 -NCGC00259968-01 196709692 tox21-ror-cho-viability-p1 set2 4 -0.54350969 -1.93129381 0.15786385 -0.11153788 2.66830935 -0.05236078 -0.47209069 -0.80864931 -0.08272706 0.11365582 0.54603705 -1.89808556 4.24343354 3.05378435 5.07632849 1.148E-9 2.566E-9 5.738E-9 1.2829999999E-8 2.8689999999E-8 6.415E-8 1.434E-7 3.2079999999E-7 7.1719999999E-7 0.000001604 0.0000035859999999 0.0000080189999999 0.00001793 0.00004009 0.00008965 156-60-5 638186 144209617 FC (E)-1,2-Dichloroethylene Cl\C=C\Cl Tox21_202419 -NCGC00090885-03 196709669 tox21-ror-cho-viability-p1 set2 4 -2.93099478 -2.36057564 -1.20033187 -4.4684547 -1.2288294 -2.08365927 -2.21871379 -1.35607307 1.36623505 -3.15394907 -1.75444368 -2.14510383 -1.57898136 -3.28699001 -2.78863644 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00259383-01 196709681 tox21-ror-cho-viability-p1 set2 4 43.9381215955 -14.977708208 -1.5 -16.477708208 0.8999999999 0.8324674069 0.0037943795 -0.26623553 -0.10066065 -2.94963726 0.23751677 -0.87689114 -1.88730942 -0.70294878 -4.02693225 -1.63367512 -5.14159719 -3.50122836 -3.41321003 -4.70989656 -8.90409242 -12.06475684 1.195E-9 2.671E-9 5.973E-9 1.336E-8 2.986E-8 6.678E-8 1.493E-7 3.3389999999E-7 7.466E-7 0.000001669 0.000003733 0.000008347 0.00001867 0.00004174 0.000093329999999 58-14-0 4993 144209032 A A Pyrimethamine CCc1nc(N)nc(N)c1c2ccc(Cl)cc2 Tox21_201834 -NCGC00181767-03 196713788 tox21-ror-cho-viability-p1 set2 4 16.7854920005 12.916268276 1.083731724 14 1.4641 0.8018100657 0.0078385519 -0.34689023 4.45539516 0.9377482 3.37880562 2.03997382 1.77698491 0.66816308 1.2909092 1.86537853 1.2283007 0.52689311 3.76138251 2.67788544 9.99477021 11.08784614 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 134308-13-7 4659569 170465081 A Tolcapone Oc1cc(cc([N+]([O-])=O)c1O)C(=O)c2ccc(C)cc2 Tox21_112963_1 -NCGC00025018-10 196712968 tox21-ror-cho-viability-p1 set2 4 -2.0136949 -0.70312135 -2.2259228 -0.94474792 -2.80194929 -0.37805842 -4.78036563 -0.99024281 -0.62561261 2.84342537 -0.25072706 0.25283102 2.8735517 -0.66793335 0.33328441 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 146-48-5 8969 170465467 A Yohimbine O=C(OC)[C@H]2[C@@H](O)CC[C@H]3CN4CCc1c5ccccc5nc1[C@@H]4C[C@H]23 Tox21_110019_1 -NCGC00095196-06 196713374 tox21-ror-cho-viability-p1 set2 4 -1.6678516 -0.04833852 -2.05831798 2.96159411 1.94548085 2.98922766 -1.2953836 -1.03002515 -0.68490932 0.98801255 2.2129628 1.84640608 1.69811829 -0.56479089 2.09184251 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27591-97-5 5475 170466150 A Tilorone CCN(CC)CCOc2ccc3c1ccc(cc1C(=O)c3c2)OCCN(CC)CC Tox21_111484_1 -NCGC00091011-05 196713386 tox21-ror-cho-viability-p1 set2 1.1 24.3365162115 86.1751227583 -0.7225024779 85.4526202804 3.9294729863 0.9763544181 1.246E-7 -5.27073435 -1.25056719 -2.95760566 -2.11621702 -1.03299422 -4.64569815 -1.91401121 -3.37354439 -1.14961201 0.82028167 4.68507067 13.37040609 17.80647632 79.27404892 82.68169081 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00016239-04 196713790 tox21-ror-cho-viability-p1 set2 4 1.44495259 1.60422102 1.75966104 -5.91062203 2.5866255 2.08984995 -4.75295972 -5.44497183 -6.63887851 -5.41212507 -3.38516671 -4.99158682 -3.76287148 -4.58383958 -2.12190733 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53-46-3 5883 170465350 Z Methantheline bromide [Br-].CC[N+](C)(CC)CCOC(=O)C1c3ccccc3Oc2ccccc12 Tox21_110320_1 -NCGC00182993-01 196713799 tox21-ror-cho-viability-p1 set2 4 -1.27010541 0.81271105 -2.02987318 -3.43829267 -3.42863633 0.47048896 -2.11022932 -1.17881104 -0.40260921 -6.00624808 -2.07896035 -9.63208292 -4.42703132 -2.9214716 1.67420448 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103725-47-9 185457 144206816 A A Betiatide O=C(O)CNC(=O)CNC(=O)CNC(=O)CSC(=O)c1ccccc1 Tox21_113265 -NCGC00274077-01 196713801 tox21-ror-cho-viability-p1 set2 4 4.87980914 4.83807337 4.8233282 5.74310599 5.20390793 2.29613779 3.3996321 0.15680461 3.34415416 3.28795742 0.73125979 5.20878485 4.06396605 3.34987114 -0.33169237 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13609-67-1 26133 170465456 I Hydrocortisone 17-butyrate OCC(=O)[C@@]4(OC(=O)CCC)CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_111397_1 -NCGC00254098-01 196714208 tox21-ror-cho-viability-p1 set2 4 -0.44469897 3.66557922 2.87051264 -1.72837611 -1.11288288 -1.1506904 0.27219156 0.96029073 0.44497191 3.56416195 0.31175059 2.67638608 6.8263158 3.23086947 4.46390837 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84-66-2 6781 144210503 A A Diethyl phthalate O=C(OCC)c1ccccc1C(=O)OCC Tox21_300183 -NCGC00254248-01 196714211 tox21-ror-cho-viability-p1 set2 4 1.39469833 0.64671822 -0.07041778 -0.68952506 0.71777425 -2.94996379 1.77039632 -0.35133556 4.26171324 1.80954596 1.61185181 -0.01619495 0.66330452 2.4674256 -0.72663107 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15310-01-7 27195 144210738 A A Benodanil O=C(Nc1ccccc1)c2ccccc2I Tox21_300420 -NCGC00260268-01 196711324 tox21-ror-cho-viability-p1 set2 4 -3.24066201 -1.39061837 -9.50728574 -4.16062628 -7.76636195 -6.98589025 -9.41014745 0 -6.0874172 0 -3.64543688 0 -16.67332805 -9.88684889 -10.1326253 1.2949999999E-9 2.895E-9 6.4729999999E-9 1.448E-8 3.237E-8 7.2379999999E-8 1.6179999999E-7 3.619E-7 8.092E-7 0.000001809 0.000004046 0.000009047 0.00002023 0.000045229999999 0.00010109999999 1118-71-4 70700 144209918 Ac F Dipivaloylmethane CC(C)(C)C(=O)CC(=O)C(C)(C)C Tox21_202720 -NCGC00255831-01 196710915 tox21-ror-cho-viability-p1 set2 4 0.0013685429 11.234413056 -10.734413056 0.5 4.9549173134 0.836708534 0.0034770642 -8.11201088 2.03290209 -0.23940911 2.14699606 0.98638079 0.87676567 -0.31226882 1.2670717 0.6809171 0.77879219 -0.75994533 0.15067399 -0.62703251 0.79189654 1.35976219 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69806-34-4 50895 144212174 A A Haloxyfop O=C(O)C(C)Oc1ccc(cc1)Oc2ncc(cc2Cl)C(F)(F)F Tox21_301857 -NCGC00260618-01 196711311 tox21-ror-cho-viability-p1 set2 4 -4.33316191 0.03389976 -3.67363403 -11.61632078 -2.52236791 -5.56056754 -7.56129683 -9.82449426 -3.22124235 -6.63832686 -0.12202245 0 -20.57063933 -8.30017109 8.8233942 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49514 144210271 M M NTP Mix118 ER1 5-EQP Tox21_203073 -NCGC00260024-01 196723856 tox21-ror-cho-viability-p1 set3 4 82.627610706 12.5204157159 -0.5204157159 12 4.9549173134 0.3451708569 0.3258228328 -3.76642279 4.92178065 -0.78224424 -3.42706643 3.11997981 -3.00995908 3.06727493 -3.85295853 -2.82511717 5.90058739 -3.06300145 -0.78144908 2.19803703 -4.60034643 9.79163276 1.252E-9 2.8E-9 6.2599999999E-9 1.4E-8 3.13E-8 6.999E-8 1.565E-7 3.5E-7 7.8249999999E-7 0.00000175 0.000003913 0.000008749 0.00001956 0.00004374 0.00009782 67-63-0 3776 144209673 FC Isopropanol CC(C)O Tox21_202475 -NCGC00091499-05 196723837 tox21-ror-cho-viability-p1 set3 4 24.3365162115 -7.46100758 1 -6.46100758 4.9549173134 0.3463205543 0.3427448323 1.63903432 3.21916735 -0.43377131 5.04553813 2.49981244 -3.07555015 -3.49262747 -0.68606207 -0.36429274 4.31564479 0.53545313 3.50442679 -0.47130971 -5.80083965 7.40796378 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00260123-01 196723846 tox21-ror-cho-viability-p1 set3 4 0.0017316576 12.5913392 -9.5913392 3 2.3531167061 0.358096186 0.3137579162 -6.326116 0.29742466 0.87609622 0.42014416 5.07814979 2.37842133 1.92960392 2.80738194 2.67431144 7.21252324 7.77514564 4.41239572 -3.64301012 -2.54423181 7.16005073 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.626E-8 1.482E-7 3.3129999999E-7 7.408E-7 0.000001656 0.000003704 0.000008282 0.00001852 0.000041409999999 0.000092599999999 515-74-2 23664644 144209772 F Sodium 4-aminobenzenesulfonate [Na+].Nc1ccc(cc1)S(=O)([O-])=O Tox21_202574 -NCGC00260232-01 196723854 tox21-ror-cho-viability-p1 set3 4 -3.00223228 1.12697748 -7.10120655 -2.08451087 -7.01273379 -6.95969338 -8.16162518 0.83610956 0.89888565 -6.71999282 0.65596353 0.2061604 0.79102453 -0.62626986 -1.53493401 1.193E-9 2.6679999999E-9 5.967E-9 1.3339999999E-8 2.9829999999E-8 6.671E-8 1.4919999999E-7 3.3359999999E-7 7.458E-7 0.000001668 0.0000037289999999 0.000008339 0.00001865 0.000041689999999 0.00009323 258273-67-5 45268380 144209882 A A 1-Butyl-3-methylpyridinium iodide [I-].Cc1ccc[n+](CCCC)c1 Tox21_202684 -NCGC00357207-01 196723859 tox21-ror-cho-viability-p1 set3 -1.1 0.4107804129 -72.0829785503 1.7777079429 -70.3052706074 3.9899729863 0.9439846676 0.0000155843 -4.47710704 -3.57944289 -2.31283364 4.87933509 8.4536395 6.15038326 1.39586481 1.01128164 -1.53836627 -30.55448162 -73.83406041 -72.38138705 -51.62371337 -62.96828359 -88.76928107 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 639-58-7 12540 251919755 A Triphenyltin chloride Cl[Sn](c1ccccc1)(c2ccccc2)c3ccccc3 Tox21_303984 -NCGC00091261-03 196697691 tox21-ror-cho-viability-p1 set1 4 9.6885416101 -13.7994432199 4 -9.7994432199 0.3 0.6197146841 0.0842831874 2.82768294 2.62211943 1.52068367 2.96304244 2.0647693 3.01125704 1.34641202 0.49528074 0.59756246 -3.81826177 -3.56001058 -4.04497692 -0.04182305 -0.16854059 -9.83286935 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00015661-12 196697693 tox21-ror-cho-viability-p1 set1 4 16.7854920005 11.399846348 -3.399846348 8 0.8999999999 0.6187672956 0.0850480974 -3.34610217 -4.48320884 -5.13838206 -0.19895359 -7.83320529 -2.33822382 -3.39970078 -4.3510442 -0.13292602 -1.19829988 0.09552764 -4.20430674 1.25680382 2.64908214 5.67810113 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25717-80-0 5353788 170465872 A Molsidomine O=C(OCC)[N-]c1c[n+](no1)N2CCOCC2 Tox21_110192_1 -NCGC00183006-01 196697695 tox21-ror-cho-viability-p1 set1 4 -2.53588611 -4.13427354 -5.38922374 -4.2946102 -0.3741029 -4.34075914 1.23106378 -2.68067845 -7.1588544 -4.65335963 -5.05860215 -5.19641511 -5.38838467 -6.76849473 -7.49013528 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 167820-10-2 10455790 144206814 A A N-[(3R)-1-(2-Fluorophenyl)-4-oxo-3,4,6,7-tetrahydro[1,4]diazepino[6,7,1-hi]indol-3-yl]-1H-indole-2-carboxamide Fc6ccccc6C3=N[C@@H](NC(=O)c1cc2ccccc2n1)C(=O)N5CCc4cccc3c45 Tox21_113263 -NCGC00091205-03 196697709 tox21-ror-cho-viability-p1 set1 4 0.11572149 -2.11969272 -0.83222349 -0.82899155 -0.49390207 0.69205161 0.56887965 -0.66033941 4.31115017 -0.43293116 0.41139581 5.57928783 5.90765023 -0.81739867 -1.01253485 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00260098-01 196723878 tox21-ror-cho-viability-p1 set3 4 0.4180913919 6.887156632 -2.887156632 4 0.7999999999 0.550294858 0.1366211431 -4.81238574 2.04264681 -7.40596386 -0.82338111 -0.51237083 -2.2298917 -0.97978264 1.56977944 -0.88350875 2.8836265 1.35859198 6.0842547 6.63116838 2.65679261 1.93965715 1.262E-9 2.823E-9 6.312E-9 1.4109999999E-8 3.156E-8 7.0569999999E-8 1.578E-7 3.529E-7 7.89E-7 0.000001764 0.0000039449999999 0.0000088209999999 0.00001973 0.000044109999999 0.00009863 101200-48-0 153909 144209747 A Tribenuron-methyl Cc1nc(nc(OC)n1)N(C)C(=O)NS(=O)(=O)c2ccccc2C(=O)OC Tox21_202549 -NCGC00260654-01 196723881 tox21-ror-cho-viability-p1 set3 4 -0.30830414 0.49446929 -0.69830578 -9.24017351 3.63211434 -1.12157939 -7.54593481 4.68443605 3.53688579 0.03997268 0.29359161 0.80623385 -1.43857338 0.66999148 0.378993 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49550 144210307 M M NTP Mix95 ER AR1 18-EQP Tox21_203109 -NCGC00356998-01 196724334 tox21-ror-cho-viability-p1 set3 4 54.4826732819 7.4882667639 -2.4882667639 5 3.1924983358 0.3764533398 0.2987500544 -6.65688897 -1.23667897 -3.16344504 -2.01385052 1.04065149 -3.11087068 1.25756399 -1.66062069 -6.25959872 -1.91765532 -3.49744688 -5.4355436 -1.94871105 -0.21590333 3.81068648 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 187022-11-3 6426848 251919733 I Acetochlor ESA O=S(=O)(O)CC(=O)N(COCC)c1c(C)cccc1CC Tox21_303784 -NCGC00357151-01 196724340 tox21-ror-cho-viability-p1 set3 4 0.0172289341 6.725428544 -6.725428544 0 4.9549173134 0.3797338169 0.2921509046 -5.70679975 -11.43785712 -2.01459971 -6.9830127 2.44071387 -7.67202075 8.10405305 1.47714033 0.16202075 -1.42380835 -1.91032938 -2.04982051 -0.49614028 -0.81963494 3.44123004 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-21-8 67114 251919653 A 4-(Diethylamino)benzaldehyde CCN(CC)c1ccc(cc1)C=O Tox21_303895 -NCGC00260059-01 196724347 tox21-ror-cho-viability-p1 set3 4 -7.32978233 7.58767772 9.16331012 4.50746935 5.50501217 1.20649513 3.11428343 3.53770543 3.17759571 6.50058752 1.12741479 -1.96699077 4.21606405 -0.75099686 3.12750473 1.25E-9 2.794E-9 6.248E-9 1.3969999999E-8 3.124E-8 6.986E-8 1.562E-7 3.493E-7 7.811E-7 0.0000017459999999 0.000003905 0.0000087319999999 0.00001953 0.000043659999999 0.000097629999999 64-17-5 702 144209708 FNS Ethanol CCO Tox21_202510 -NCGC00357020-01 196724353 tox21-ror-cho-viability-p1 set3 4 0.35242611 4.32236855 0.95017443 -1.43790552 6.93413018 -5.02603522 6.18982201 3.39222962 -4.32308874 1.23858684 3.85790333 5.31539441 5.18190071 -0.44442881 6.18142869 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2859-67-8 17861 251919664 A 3-(3-Pyridyl)-1-propanol OCCCc1cccnc1 Tox21_303737 -NCGC00091426-02 196720810 tox21-ror-cho-viability-p1 set3 4 43.2771256911 13.8207734559 -5.8207734559 8 0.9999999999 0.5728117886 0.1182774482 -7.939693 -10.68397788 -1.18763421 -6.98832689 -8.47597141 -5.12812665 -4.5074974 -6.81887237 -2.79505784 -1.83890525 -3.14061896 -5.2315481 -2.86023001 -0.67245919 5.69196539 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00254126-01 196720404 tox21-ror-cho-viability-p1 set3 4 13.25335182 14.24490496 13.72936038 0.33492893 10.22796257 -5.40166033 12.24069529 5.78120855 11.08801075 12.37493875 11.69821384 5.89091187 5.15325265 -0.34745303 0.89537781 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6422-86-2 22932 144210641 A Bis(2-ethylhexyl) terephthalate CCC(CCCC)COC(=O)c1ccc(cc1)C(=O)OCC(CC)CCCC Tox21_300322 -NCGC00254579-01 196720406 tox21-ror-cho-viability-p1 set3 4 0.273060203 10.3279450719 -11.3279450719 -1 0.9999999999 0.7790172179 0.0120849497 -13.09396015 -15.27328756 -7.74640978 -7.39823982 -9.38228291 -10.41718975 -11.13743523 -2.41935551 -5.10880792 -1.47080751 -1.84382767 -1.09931892 -2.18554961 0.10279992 -2.53662067 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2303-17-5 5543 144210988 A Ac Tri-allate Cl/C(Cl)=C(\Cl)CSC(=O)N(C(C)C)C(C)C Tox21_300671 -NCGC00254488-01 196720797 tox21-ror-cho-viability-p1 set3 4 4.20874003 -0.31572889 5.22678498 -2.02594263 6.32463148 10.57963039 10.59278966 3.70848247 -4.90039636 12.28108029 5.96795145 7.9683726 8.88090293 2.04136855 0.49312919 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-12-0 7002 144210657 B Ac 1-Methylnaphthalene Cc2cccc1ccccc12 Tox21_300339 -NCGC00254170-01 196720814 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -100.4236824483 4.661945614 -95.7617368343 4.5044702849 0.9670623547 8.235E-7 9.39415621 10.75970928 9.61634877 0.04134522 2.61454509 2.84992955 6.86258396 0.12595837 3.59285529 8.96577804 0.06013981 7.64216197 0.21492773 -4.65024885 -76.00137844 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139340-56-0 6439420 144210522 A B Darbufelone mesylate O=C2NC(=N)S/C2=C\c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C.CS(=O)(=O)O Tox21_300202 -NCGC00254645-01 196720815 tox21-ror-cho-viability-p1 set3 4 4.8557733675 21.290358988 -9.290358988 12 0.3 0.6339714094 0.0741161153 -5.60250575 -15.65863249 -6.24067021 -4.07900026 -0.80181537 -2.88175102 -2.14804677 -0.40698841 -4.53667564 -5.50444072 -2.17980735 4.99512142 3.61482099 4.95304123 7.03257531 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2675-77-6 17581 144211056 A A Chloroneb COc1cc(Cl)c(cc1Cl)OC Tox21_300739 -NCGC00257413-01 196719152 tox21-ror-cho-viability-p1 set2 -2.1 54.4826732819 -109.8730156506 1.9113620559 -107.9616535947 2.2481167061 0.997584652 0 0.36975007 2.25503478 1.67488952 -0.23880623 1.88828575 3.27099382 1.84458563 2.24745638 3.71846005 2.98620614 2.7880344 -0.61374025 -5.55867088 -36.94474861 -82.16791939 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27193-86-8 171144 144213676 Z F Dodecylphenol Oc1ccccc1CCCCCCCCCCCC Tox21_303360 -NCGC00256432-01 196719134 tox21-ror-cho-viability-p1 set2 4 -1.66013167 -6.33799423 -4.89830012 -6.03203795 2.21758268 -10.01603635 -4.44435954 -2.28289837 -13.08772135 -7.45479271 -0.76399323 -8.66724641 -9.73557859 -7.6443351 -4.16498383 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.000019359999999 0.00004328 0.000096779999999 98-92-0 936 144213093 A A Niacinamide NC(=O)c1cccnc1 Tox21_302776 -NCGC00256674-01 196719133 tox21-ror-cho-viability-p1 set2 4 -4.01873435 -4.44689792 -0.46899265 -0.78825764 -5.64873216 -1.54490568 0.29399717 -3.02962411 -3.44442381 -8.49490262 0.83971545 -3.92959494 -7.50720882 1.5387627 -1.19238149 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-14-0 8834 144212996 A Ac Citronellyl propionate C\C(C)=C\CCC(C)CCOC(=O)CC Tox21_302679 -NCGC00256636-01 196719135 tox21-ror-cho-viability-p1 set2 4 -0.7565568 -0.85538518 1.63593345 -5.20240519 -8.40548547 -8.30243257 -7.51802477 -0.85328517 -8.89752181 -5.46134886 1.37486505 -1.60795368 -0.80971067 -0.47317813 -1.28745927 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33704-61-9 92292 144212994 A Ac Dihydro-1,1,2,3,3-pentamethyl-4(5H)-indanone O=C1CCCC2=C1C(C)(C)C(C)C2(C)C Tox21_302677 -NCGC00257405-01 196719158 tox21-ror-cho-viability-p1 set2 2.4 18.8550270112 26.1359783921 1.3640216079 27.5 4.9549173134 0.9346607929 0.0000778379 0.77778715 -0.89184304 0.55706602 0.204374 -0.94664866 3.6752981 0.64569485 1.12701663 1.71131718 1.38467925 5.99428914 -0.51822425 10.23241737 26.49087223 11.5399971 1.0499999999E-9 2.3479999999E-9 5.25E-9 1.174E-8 2.6249999999E-8 5.869E-8 1.312E-7 2.935E-7 6.562E-7 0.000001467 0.000003281 0.0000073369999999 0.00001641 0.00003668 0.00008203 129299-90-7 180494 144213812 A A Fabesetron hydrochloride Cl.Cc4ncnc4C[C@H]3CCc2c(C)c1ccccc1n2C3=O Tox21_303504 -NCGC00254843-01 196719578 tox21-ror-cho-viability-p1 set3 1.4 0.0136854288 24.351754248 -21.851754248 2.5 0.3 0.8832795234 0.0006962926 -13.97002023 -16.54312854 -9.9285303 -7.5559306 -7.37377155 -8.99065414 -3.45481206 -3.2280001 -4.88984403 -2.51492217 -0.98423274 -2.83481924 1.51177406 -1.13454437 2.41654022 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-72-9 61016 144211258 FNS 2,6-Dimethylhept-5-enal CC(CC\C=C(\C)C)C=O Tox21_300941 -NCGC00091057-05 196713425 tox21-ror-cho-viability-p1 set2 4 0.94394323 1.8620012 -3.44663952 -1.08193051 1.30941651 0.43699316 -3.89662562 -2.58390344 -3.84252372 1.48101604 0.99776419 -3.33353937 -1.48511636 -2.86487686 -1.6935973 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 22888-70-6 31553 170466469 A Silybin Oc4cc(O)cc5O[C@H](c1ccc2O[C@H](CO)[C@H](Oc2c1)c3ccc(O)c(OC)c3)[C@@H](O)C(=O)c45 Tox21_111070_1 -NCGC00247710-02 196713012 tox21-ror-cho-viability-p1 set2 4 2.6603212004 12.7276297079 -1.2276297079 11.5 4.9549173134 0.9538263847 0.0000054879 -1.21102529 0.25443163 -0.18931942 -1.14117721 -3.10635809 -0.97075688 0.02926461 -0.92330707 -2.78437031 -0.43615917 -0.3161854 11.58200983 10.08465672 13.11412449 10.00764033 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3239-45-0 66264 170465626 A Dexfenfluramine hydrochloride Cl.FC(F)(F)c1cccc(C[C@H](C)NCC)c1 Tox21_112864_1 -NCGC00253722-01 196713018 tox21-ror-cho-viability-p1 set2 4 0.94306661 -1.08606554 -1.74187188 -2.22690695 -0.93646822 0.13501403 -0.54370176 -1.9493136 -1.45475364 -0.2983261 0.77737705 -1.98899716 -7.98802302 -4.72614692 -1.03109453 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6928-85-4 81349 170466745 Z F 4-Methyl-1-piperazinamine CN1CCN(N)CC1 Tox21_113841 -NCGC00344583-01 196713419 tox21-ror-cho-viability-p1 set2 4 1.09804042 2.0090417 -0.71581105 1.73741406 1.15905708 1.81641146 -0.87024958 -2.47746166 -1.92934662 -1.08691277 0.19020733 -2.35281528 0.62889379 -4.96831887 0.65549809 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 18556-44-0 5388983 170464976 B Vinblastine sulfate O=S(=O)(O)O.O=C(OC)[C@@]2(C[C@@H]4C[C@@](O)(CC)C[N@](CCc1c3ccccc3nc12)C4)c5cc9c(cc5OC)N(C)[C@@H]6[C@]98CCN7CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]6(O)C(=O)OC)[C@H]78 Tox21_111498_1 -NCGC00160440-03 196713435 tox21-ror-cho-viability-p1 set2 4 0.2620464 -0.89014999 -0.28177247 -0.61997276 -4.81242026 -0.527437 -0.77864027 -0.18202163 -2.87336032 -0.70075265 -2.17013518 -2.78708812 -1.06994425 -1.26558056 4.21287279 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53808-88-1 68706 170466434 A Lonazolac O=C(O)Cc1cn(nc1c2ccc(Cl)cc2)c3ccccc3 Tox21_111812_1 -NCGC00159349-05 196713436 tox21-ror-cho-viability-p1 set2 4 -0.34818194 0.88741728 3.03350173 2.97222681 2.45028906 2.96647001 2.74402886 2.13889881 0.67383852 0.37584609 -0.36958764 -2.78811843 0.57035436 0.68073168 -3.81394548 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 797-63-7 13109 170465033 A Levonorgestrel O=C4CC[C@H]3C(CC[C@@H]2[C@@H]3CC[C@@]1(CC)[C@H]2CC[C@@]1(O)C#C)=C4 Tox21_111593_1 -NCGC00163735-04 196713843 tox21-ror-cho-viability-p1 set2 4 12.1971512362 -8.373008336 -2 -10.373008336 0.5 0.3265813642 0.3446356776 -1.82880264 -1.89114985 -4.99565654 1.59783971 -1.78170888 -5.07552598 2.51175413 -10.31084028 -4.07035971 -0.94777458 -4.39099098 -5.37348631 -7.32759351 -9.33965618 -6.62309857 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00255715-01 196710948 tox21-ror-cho-viability-p1 set2 4 0.0019331182 12.2199738719 -11.7199738719 0.5 4.0949729863 0.6388868821 0.071921083 -10.18331156 -1.71487782 -2.40322356 -1.02548645 0.11363128 2.07808871 -3.78334972 -0.66041912 2.10540247 -0.77789777 -0.75795104 1.2809967 3.00178194 4.18550861 0.34556975 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2605-79-0 62452 144212550 A A N,N-Dimethyldecylamine oxide C[N+]([O-])(C)CCCCCCCCCC Tox21_302233 -NCGC00255902-01 196710945 tox21-ror-cho-viability-p1 set2 4 4.36667538 3.7836869 -0.71424101 3.01846387 -1.90044594 2.78660724 -0.22632858 3.81325823 1.8279584 0.63954486 1.63647724 3.20645264 0.29125532 3.01136879 2.82299879 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14970-87-7 84733 144211799 Ac 2,2'-[Ethane-1,2-diylbis(oxy)]diethanethiol SCCOCCOCCS Tox21_301482 -NCGC00255489-01 196710942 tox21-ror-cho-viability-p1 set2 4 -6.1495471 -0.8636567 -2.61707249 -1.01730308 -2.59456026 1.43546179 -7.63636862 -11.4178198 -1.51475374 -1.68855804 -0.0657413 -2.51889296 -0.96667965 -1.49149831 -1.45961794 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1216-44-0 267210 144211745 A A Flurenol-methyl O=C(OC)C3(O)c1ccccc1c2ccccc23 Tox21_301428 -NCGC00255169-01 196710947 tox21-ror-cho-viability-p1 set2 -1.1 0.968854161 -80.276984858 -0.558544829 -80.835529687 2.4063783767 0.989343969 1.2E-9 -2.26025257 0.85218866 -0.47455007 -2.84254364 -2.33494815 -0.16568924 0.11205141 -6.68073038 -22.39611095 -67.98617339 -67.16882693 -84.73325963 -83.68852572 -83.37174341 -79.36193996 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 54-64-8 16684434 144212493 A A Thimerosal [Na+].[O-]C(=O)c1ccccc1S[Hg]CC Tox21_302176 -NCGC00255157-01 196710965 tox21-ror-cho-viability-p1 set2 4 -3.01781582 -0.69471931 0.27715498 -4.46878864 1.99275975 1.22004725 -0.6846292 0.32147028 -1.65237437 -3.03634908 1.91788792 -1.62612787 0.62465868 -0.42427506 -2.86952037 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-66-0 31265 144211534 F Fns Ethyl hexanoate O=C(CCCCC)OCC Tox21_301217 -NCGC00357262-01 196703423 tox21-ror-cho-viability-p1 set1 4 -3.69621555 2.50377541 1.26267444 6.92360975 0.49429681 -0.11980908 0.81867264 -5.44702646 2.23833123 0.37152501 -0.30141081 3.35234884 2.52757003 1.28816423 -4.48159813 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 41484-35-9 64883 251919694 A Thioethylene glycol bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate) CC(C)(C)c1cc(cc(c1O)C(C)(C)C)CCC(=O)OCCSCCOC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C Tox21_303739 -NCGC00260224-01 196702997 tox21-ror-cho-viability-p1 set1 4 0.0031199539 18.566972064 -13.566972064 5 0.4 0.5916512267 0.1035878163 -10.47247672 2.44723429 -5.75102733 -1.27657834 0.05592024 1.58567875 1.46156115 3.06423597 -0.47139249 2.87513714 4.66761613 3.67383237 5.37607746 1.08535984 8.65500781 1.198E-9 2.6779999999E-9 5.988E-9 1.339E-8 2.994E-8 6.6949999999E-8 1.497E-7 3.347E-7 7.485E-7 0.0000016739999999 0.000003742 0.000008368 0.00001871 0.00004184 0.000093559999999 112400-85-8 21988023 144209874 A A 1-Butyl-2-methylpyridinium chloride [Cl-].Cc1cccc[n+]1CCCC Tox21_202676 -NCGC00259934-01 196703410 tox21-ror-cho-viability-p1 set1 4 26.9177193398 -15.5134859599 -2.5 -18.0134859599 4.9549173134 0.6669655743 0.0545698695 -2.20898497 -4.22125075 0.65090426 -1.19997302 -4.11489793 -6.70738645 -5.15342225 -3.90737796 2.54932054 -2.98297355 -9.62828315 2.35252674 -0.33823557 -20.0112383 -15.29735121 1.166E-9 2.6069999999E-9 5.829E-9 1.303E-8 2.9139999999E-8 6.517E-8 1.457E-7 3.2579999999E-7 7.286E-7 0.000001629 0.0000036429999999 0.000008146 0.00001821 0.00004073 0.00009107 80-43-3 6641 144209583 A A Dicumyl peroxide CC(C)(OOC(C)(C)c1ccccc1)c2ccccc2 Tox21_202385 -NCGC00260331-01 196703414 tox21-ror-cho-viability-p1 set1 4 16.4333493901 18.8068888519 -3.8068888519 15 4.5044702849 0.720802555 0.0296811438 -2.46085273 -3.91642939 1.51081122 -6.36111115 -2.53358878 -6.62911798 -2.68150054 -3.80960532 -6.21404367 -2.35255796 -1.78590405 -9.00574071 -3.54779709 -1.66451242 11.61266507 2.961E-10 6.62E-10 1.4799999999E-9 3.31E-9 7.4009999999E-9 1.655E-8 3.701E-8 8.275E-8 1.85E-7 4.137E-7 9.2519999999E-7 0.000002069 0.000004626 0.00001034 0.000023129999999 1313-27-5 14802 144209983 Molybdenum trioxide O=[Mo](=O)=O Tox21_202785 -NCGC00260232-01 196703426 tox21-ror-cho-viability-p1 set1 4 5.65118593 5.52020602 3.53600735 -0.20762312 0.86050412 0.00940186 1.07790968 -0.70512092 0.36011602 0.59419033 3.65663567 1.16099568 5.03620711 -4.93714887 0.57279604 1.193E-9 2.6679999999E-9 5.967E-9 1.3339999999E-8 2.9829999999E-8 6.671E-8 1.4919999999E-7 3.3359999999E-7 7.458E-7 0.000001668 0.0000037289999999 0.000008339 0.00001865 0.000041689999999 0.00009323 258273-67-5 45268380 144209882 A A 1-Butyl-3-methylpyridinium iodide [I-].Cc1ccc[n+](CCCC)c1 Tox21_202684 -NCGC00090708-05 196703820 tox21-ror-cho-viability-p1 set1 -1.2 12.1971512362 -39.7294846398 -0.8484204269 -40.5779050667 1.4641 0.8999720116 0.000322341 5.92518528 0.00638977 -2.6783521 -3.41331699 -4.72389934 -0.82377331 0.29173388 0.24879785 -0.31350345 -12.74334924 0.18415337 -12.56934703 -30.49072597 -37.55901899 -34.00800675 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00256419-01 196727109 tox21-ror-cho-viability-p1 set3 4 43.2771256911 -24.7728329479 3 -21.7728329479 3.0654483358 0.8986717969 0.0003460416 0.89694085 0.86961357 1.71989662 0.23037913 1.47025645 1.51418108 4.77143006 4.20648325 4.60787554 4.81588105 0.31353673 6.05089138 4.18471138 -9.70022644 -18.97736079 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 520-36-5 5280443 144213201 A A Apigenin Oc1ccc(cc1)C3=CC(=O)c2c(cc(O)cc2O)O3 Tox21_302884 -NCGC00257334-01 196726685 tox21-ror-cho-viability-p1 set3 4 5.43615978 -0.04759291 3.00656783 4.46456051 3.76698108 2.23430324 3.49314305 2.32761392 6.15408968 4.20990044 0.31532522 -0.25025221 6.20933648 4.46756401 3.98388604 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 24615-84-7 90558 144213798 F Ac 2-Carboxyethyl acrylate O=C(O)CCOC(=O)C=C Tox21_303489 -NCGC00256900-01 196726692 tox21-ror-cho-viability-p1 set3 4 0.46679738 -0.40823493 3.76682828 7.20079698 0.14521593 2.26647976 2.26053664 3.67594616 2.06113325 3.33709471 5.73530966 2.2411969 1.93644113 1.26265127 1.27950012 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-41-8 61031 144212937 F F 2-Methylundecanal CC(CCCCCCCCC)C=O Tox21_302620 -NCGC00257451-01 196727100 tox21-ror-cho-viability-p1 set3 4 3.46729861 4.03022847 1.25478888 1.44246728 3.17407924 0.48616039 3.85116091 3.86146681 3.94723753 -2.33435098 0.99197888 1.62739815 4.15566882 1.9793498 -0.01652861 4.064E-10 9.087E-10 2.032E-9 4.544E-9 1.016E-8 2.272E-8 5.08E-8 1.136E-7 2.5399999999E-7 5.6799999999E-7 0.00000127 0.00000284 0.0000063499999999 0.000014199999999 0.00003175 NOCAS_48176 11982778 144213751 A A YM218 O=C(O)/C=C/C(=O)O.Cc6occc6C(=O)Nc1ccc(cc1)C(=O)N5CCC(F)(F)C(=C\C(=O)N2CCC(CC2)N3CCCCC3)/c4ccccc45.O=C(\C=C2\c1ccccc1N(CCC2(F)F)C(=O)c3ccc(cc3)NC(=O)c4ccoc4C)N5CCC(CC5)N6CCCCC6 Tox21_303441 -NCGC00256648-01 196727113 tox21-ror-cho-viability-p1 set3 4 0.0432771257 -10.592088244 -1 -11.592088244 4.9549173134 0.3601478761 0.3256823091 -0.78035113 -0.975928 -2.79096071 -1.44814902 1.44385692 -14.24691571 -14.9237968 -22.59264969 -24.24340687 -6.80664548 -1.45711993 -14.71596471 -3.01785032 -2.1857143 1.30387274 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 38462-22-5 61982 144212896 F F p-Mentha-8-thiol-3-one CC1CC(=O)C(CC1)C(S)(C)C Tox21_302579 -NCGC00257351-01 196727510 tox21-ror-cho-viability-p1 set3 4 2.3450868 0.99623828 4.07677531 1.6135569 3.58629559 1.07803296 -3.73343634 4.44006491 1.69295289 6.88850318 2.7280222 2.02723079 0.21969315 4.96504492 2.04725215 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-71-4 33094 144213771 A A Methyl 2-methylbenzoate COC(=O)c1ccccc1C Tox21_303461 -NCGC00259715-01 196709397 tox21-ror-cho-viability-p1 set2 4 -3.82137912 -5.88281202 2.51885831 0.78095734 -1.23531344 -0.62320831 -0.62643716 -1.97912891 -2.95033046 -2.154207 -2.40487671 2.48278474 0.66146869 -2.94056047 -4.59910008 1.175E-9 2.626E-9 5.873E-9 1.3129999999E-8 2.936E-8 6.566E-8 1.468E-7 3.2829999999E-7 7.341E-7 0.000001641 0.0000036699999999 0.000008207 0.00001835 0.00004104 0.00009176 13674-87-8 26177 144209364 A A TDCPP ClCC(OP(=O)(OC(CCl)CCl)OC(CCl)CCl)CCl Tox21_202166 -NCGC00259345-01 196708987 tox21-ror-cho-viability-p1 set2 4 1.23353568 1.55839836 3.41637148 2.59845956 1.13561656 1.71889043 4.939347 1.02886319 3.60641567 3.92424772 6.03280533 7.88548929 9.50954839 6.84209373 0.92087278 1.19E-9 2.6619999999E-9 5.951E-9 1.331E-8 2.976E-8 6.654E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.00000372 0.000008317 0.0000186 0.00004159 0.000092989999999 1114-71-2 14215 144208994 A A Pebulate O=C(SCCC)N(CCCC)CC Tox21_201796 -NCGC00259484-01 196708989 tox21-ror-cho-viability-p1 set2 4 6.72952287 -0.89710553 -6.40458302 -1.30285611 4.22560834 6.22838127 1.07979555 4.6093967 1.14462021 6.13010332 5.2207239 5.79491829 0.173186 3.8108099 0.96066915 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.397E-7 0.0000016539999999 0.0000036979999999 0.0000082699999999 0.000018489999999 0.00004135 0.000092459999999 5809-23-4 79878 144209133 A A 2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid O=C(c1ccc(cc1O)N(CC)CC)c2ccccc2C(=O)O Tox21_201935 -NCGC00258825-01 196708990 tox21-ror-cho-viability-p1 set2 4 -1.80271218 1.84115004 -2.74539349 -0.87853574 -2.11681472 -1.11689551 -2.06206629 -2.19629321 -2.21824062 -0.73885476 -0.8596011 -2.09438874 -3.36869814 0.23919911 0.4792373 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.303E-7 7.387E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 118-79-6 1483 144208471 A A 2,4,6-Tribromophenol Brc1cc(Br)cc(Br)c1O Tox21_201273 -NCGC00259684-01 196709402 tox21-ror-cho-viability-p1 set2 4 0.0103822628 -11.393966212 6 -5.393966212 0.4 0.4025213815 0.2708581569 3.77531317 2.37989274 -2.02880361 -1.60383662 3.07057808 -3.52898617 0.38442632 -6.20559148 -7.41163851 3.97263516 -7.33028957 -5.28110515 -7.25203397 -3.41962808 -4.65500685 1.25E-9 2.796E-9 6.2519999999E-9 1.3979999999E-8 3.126E-8 6.99E-8 1.563E-7 3.4949999999E-7 7.815E-7 0.000001747 0.000003907 0.000008737 0.00001954 0.000043679999999 0.00009768 78-90-0 6567 144209333 B F 1,2-Diaminopropane CC(N)CN Tox21_202135 -NCGC00090942-03 196709802 tox21-ror-cho-viability-p1 set2 -2.1 61.130564862 -89.6665171123 -1.386438978 -91.0529560903 3.1924983358 0.9905327229 6E-10 -3.63353196 -3.34254962 -3.20474128 -0.73125043 -3.26751597 1.85457456 -0.13185717 1.52347148 0.06016102 -0.27706153 -0.53621534 -2.9997775 -5.09395674 -21.43229007 -72.00981522 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00164168-02 196705264 tox21-ror-cho-viability-p1 set1 4 -0.04532015 0.4102325 0.33300576 0.31826716 3.44601532 3.53682283 1.43227558 1.42920326 0.13029173 1.56880751 -0.08005266 2.39314452 0.88374033 1.07009694 -3.90442348 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00247733-01 196704432 tox21-ror-cho-viability-p1 set1 -2.1 60.6956566923 -102.0476546756 -1.382727474 -103.4303821496 3.2474983358 0.9936108855 1E-10 -4.4838715 -1.73777206 1.30425796 -3.99505632 -0.2999956 1.03795925 -0.50739567 -2.33547379 -2.13075248 -0.58326838 -1.9647965 -0.65909557 -5.76225429 -23.16876015 -82.52301678 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.0000036659999999 0.000008198 0.00001833 0.00004099 0.000091659999999 53152-21-9 11969480 144206452 A A Buprenorphine hydrochloride Cl.CC(C)(C)[C@@](C)(O)[C@H]7C[C@]64CC[C@]7(OC)[C@@H]1Oc3c(O)ccc2C[C@H]6N(CC[C@]14c23)CC5CC5 Tox21_112899 -NCGC00091325-09 196704853 tox21-ror-cho-viability-p1 set1 -2.4 18.8336317891 -31.3162392 0 -31.3162392 2.4063783767 0.8926946684 0.00045822 -1.34940307 -3.87328522 1.95080247 -2.84056333 -1.96565761 -4.56752893 1.6979685 2.15830516 4.0944112 1.57241824 -1.1387004 -2.20998204 -0.10126999 -19.30082702 -27.346866 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97-23-4 3037 170465475 B Dichlorophen Oc2ccc(Cl)cc2Cc1cc(Cl)ccc1O Tox21_111112_1 -NCGC00166266-03 196705260 tox21-ror-cho-viability-p1 set1 4 0.08787559 0.66359531 2.7453113 0.91461022 -1.92046715 -0.61728082 -2.28176703 0.8108658 0.68015522 2.71431616 -4.44570306 1.45669478 0.89355592 1.76808739 0.69924846 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3753-81-9 68610 170466646 A 1,3-Bis(4-carboxyphenoxy)propane O=C(O)c1ccc(cc1)OCCCOc2ccc(cc2)C(=O)O Tox21_112384_1 -NCGC00259061-01 196705669 tox21-ror-cho-viability-p1 set1 4 54.5935042736 11.6861337879 -1.6861337879 10 4.4494702849 0.3269057212 0.34277321 0.60061602 -3.36572179 -0.89743546 -9.87175269 -0.66109917 0.15719551 -0.66124679 0.11973861 5.47181079 -11.40511149 -0.93656309 -0.36896332 -1.80647857 1.0938679 8.96294836 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004128 0.00009231 75-99-0 6418 144208708 A A Dalapon CC(Cl)(Cl)C(=O)O Tox21_201510 -NCGC00259543-01 196706081 tox21-ror-cho-viability-p1 set1 4 4.97803042 15.17047319 -5.66897956 3.94562931 6.41647128 0.01871549 -0.46451512 7.57753089 7.58877409 12.170777 -0.36374878 0.41930782 -1.3382868 0.47163546 1.76825707 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.977E-8 6.656E-8 1.4879999999E-7 3.3279999999E-7 7.441E-7 0.0000016639999999 0.000003721 0.00000832 0.0000186 0.0000416 0.000093019999999 2807-30-9 17756 144209192 A A 2-Propoxyethanol CCCOCCO Tox21_201994 -NCGC00259722-01 196706084 tox21-ror-cho-viability-p1 set1 4 0.0124580942 23.3452520999 -24.1359896279 -0.790737528 0.3 0.4377790269 0.2357221397 -21.36332469 -2.16320664 -20.09068622 -17.30307175 -12.20404359 -4.85047814 -2.55627266 -12.95794689 -8.75623263 -2.32346799 -1.44461264 -5.43967866 -7.62117811 -0.65894794 -1.07200059 1.2009999999E-9 2.686E-9 6.007E-9 1.3429999999E-8 3.003E-8 6.716E-8 1.5019999999E-7 3.358E-7 7.509E-7 0.000001679 0.000003754 0.0000083949999999 0.000018769999999 0.00004197 0.00009386 111-71-7 8130 144209371 AC Fns Heptanal CCCCCCC=O Tox21_202173 -NCGC00259399-01 196721726 tox21-ror-cho-viability-p1 set3 2.4 76.8023216542 26.5 13.5 40 0.8999999999 0.7574553698 0.0174365477 12.63036443 13.24675341 15.31598946 16.37341444 15.32646238 15.17041726 13.25597895 14.49317223 16.76533662 9.38244651 12.81146547 15.08185776 14.44130979 25.2498214 30.79322755 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.3169999999E-8 2.944E-8 6.583E-8 1.472E-7 3.291E-7 7.3599999999E-7 0.0000016459999999 0.00000368 0.0000082289999999 0.000018399999999 0.000041139999999 0.000092 2058-46-0 54680782 144209048 A B Oxytetracycline hydrochloride Cl.NC(=O)C=3C(=O)[C@@]4(O)C(O)=C2C(=O)c1c(O)cccc1[C@@](C)(O)[C@H]2[C@H](O)[C@H]4[C@@H](C=3O)N(C)C Tox21_201850 -NCGC00259865-01 196722102 tox21-ror-cho-viability-p1 set3 4 -5.11518634 -0.49138953 -0.05337189 9.82586325 -0.10423401 -4.81620351 -6.20045583 -4.90229043 -1.06967768 -2.6666897 -4.16626142 -4.68580628 -1.41796979 1.63222355 0.01163756 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.968E-8 6.6359999999E-8 1.484E-7 3.318E-7 7.4189999999E-7 0.000001659 0.0000037099999999 0.000008295 0.00001855 0.000041479999999 0.00009274 732-11-6 12901 144209514 C D Phosmet COP(=S)(OC)SCN2C(=O)c1ccccc1C2=O Tox21_202316 -NCGC00255907-01 196727962 tox21-ror-cho-viability-p1 set3 4 1.44979835 5.39771664 -4.69288218 3.09367009 -3.53189423 -7.3264575 14.70734977 11.52739674 3.10401734 -10.17033714 16.72746841 -8.11636603 16.50379502 15.14966264 2.98938901 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-14-1 8164 144212613 A Ac Octyl acetate CCCCCCCCOC(C)=O Tox21_302296 -NCGC00256699-01 196727546 tox21-ror-cho-viability-p1 set3 4 1.33137698 -4.2416066 -4.07324166 0.84502189 -1.93925011 1.08570937 -1.67748443 -3.14312336 -1.36032237 -3.13658332 -0.66155954 -3.66284185 1.16027328 -3.29514885 -4.2247888 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60125-24-8 641298 144213940 A A trans-2-Methoxycinnamaldehyde COc1ccccc1/C=C/C=O Tox21_303635 -NCGC00257260-01 196727550 tox21-ror-cho-viability-p1 set3 4 2.58035377 2.17846326 -1.00273038 -4.91291521 -3.63730043 -1.35390587 2.46697977 0.13194025 0 -1.16183415 0 0.73696833 2.1717499 -3.99260282 -4.45180027 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-13-2 7694 144213756 A A 4-Butylaniline Nc1ccc(CCCC)cc1 Tox21_303446 -NCGC00256402-01 196727552 tox21-ror-cho-viability-p1 set3 -2.1 21.6899429044 -111.9331247013 1.4871833169 -110.4459413844 1.1340999999 0.9882156905 2.2E-9 0.96111958 0.48250118 1.54395236 2.63393045 4.18985633 0.28136527 5.33471855 -2.79697897 -0.71273725 -7.80025037 -12.07846178 -28.26482711 -42.530726 -80.98063755 -89.79344828 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 989-38-8 235227 144213215 A A Rhodamine 6G Cl.O=C(OCC)c4ccccc4C=1c3cc(C)c(cc3OC2=C\C(=N\CC)C(C)=CC=12)NCC Tox21_302898 -NCGC00255244-01 196728373 tox21-ror-cho-viability-p1 set3 4 24.3365162115 -12.851400312 2 -10.851400312 1.752947691 0.6517652876 0.0634469489 -1.12849956 3.89530844 7.93337007 -0.96143561 -1.17076768 0.65015935 4.54779382 1.42996819 5.18933973 1.81189618 2.4063167 -2.53968763 -0.22018358 -9.45950026 -8.67088363 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81-15-2 62329 144212565 A F 2,4,6-Trinitro-1,3-dimethyl-5-tert-butylbenzene O=[N+]([O-])c1c(C)c(c(C)c(c1C(C)(C)C)[N+]([O-])=O)[N+]([O-])=O Tox21_302248 -NCGC00256221-01 196728374 tox21-ror-cho-viability-p1 set3 4 -0.40118834 -1.47621484 -3.5690808 1.16572092 -1.46062944 -1.45380461 -0.93591749 6.90664793 -4.14826685 7.46740239 -0.98638884 0.67112791 -0.06518164 0.83245132 2.94125204 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 44860-68-6 94785 144212075 A A 2,2'-(Methanediyldisulfanediyl)diethanol OCCSCSCCO Tox21_301758 -NCGC00256130-01 196728376 tox21-ror-cho-viability-p1 set3 4 3.03760196 -4.39250268 1.00287097 0.17662882 0.51974809 -0.4209603 1.48905366 -0.99368531 2.99881229 1.55157029 -0.04156442 -4.16819897 1.11107892 1.08402359 3.62215443 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6711-48-4 81207 144212008 A D N'-[3-(Dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine CN(C)CCCNCCCN(C)C Tox21_301691 -NCGC00255992-01 196728381 tox21-ror-cho-viability-p1 set3 4 3.41924796 1.71604857 0.73748216 1.77720383 12.51980718 -3.8837 -3.12326914 -9.22870883 -0.44856648 -5.60526235 2.17913718 22.96741466 8.34839305 -3.80054911 3.96017723 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5510-99-6 21685 144212392 A A 2,6-Di(butan-2-yl)phenol Oc1c(cccc1C(C)CC)C(C)CC Tox21_302075 -NCGC00255803-01 196728786 tox21-ror-cho-viability-p1 set3 -1.2 8.6349217992 -53.1215600823 0.3121711989 -52.8093888834 1.1340999999 0.9865710245 4.7E-9 -0.12536031 5.10437734 -0.69078825 -1.43913418 -0.30458754 0.1052978 0.75447234 -2.85216937 -2.50965941 -9.59307248 -10.84202257 -26.20844381 -35.10791283 -44.30954365 -51.77391067 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81-88-9 6694 144211767 A A Rhodamine B [Cl-].O=C(O)c4ccccc4c1c3ccc(cc3[o+]c2cc(ccc12)N(CC)CC)N(CC)CC Tox21_301450 -NCGC00255447-01 196728807 tox21-ror-cho-viability-p1 set3 4 21.6899429044 -17.6942281119 2 -15.6942281119 4.9549173134 0.7644399568 0.0154878625 0 2.47731312 -0.99576968 4.27320401 4.18632743 -2.44676236 7.51518185 4.0404583 -4.11799154 4.92203476 5.63625066 0.4306487 -2.65674796 -18.91185676 -12.26066524 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1982-47-4 16115 144212219 A A Chloroxuron Clc2ccc(Oc1ccc(NC(=O)N(C)C)cc1)cc2 Tox21_301902 -NCGC00260046-01 196712043 tox21-ror-cho-viability-p1 set2 4 11.8536022443 18.0611359639 -2.0611359639 16 4.9549173134 0.4976846757 0.1807516438 -1.14896483 -1.13481169 -1.25277818 -1.52422379 0.86607288 -1.34033167 -0.76722824 0.89289735 -2.34819511 -2.7417151 -0.31160461 1.54447588 -15.88427997 -2.09667171 13.93937589 2.0489999999E-10 4.581E-10 1.024E-9 2.2899999999E-9 5.1209999999E-9 1.145E-8 2.561E-8 5.726E-8 1.28E-7 2.8629999999E-7 6.4019999999E-7 0.000001431 0.000003201 0.0000071569999999 0.000016 NOCAS_33326 6537498 144209695 F F Chlorowax 500C ClC(CC(Cl)CC)C(Cl)C(Cl)C(Cl)C(C)Cl Tox21_202497 -NCGC00166212-02 196717007 tox21-ror-cho-viability-p1 set2 4 1.12366475 1.69732784 1.93320325 1.3738472 2.72313684 5.24084777 5.95779447 -0.0735022 -0.91103132 -0.23372754 3.8768323 1.20003671 0.40981379 1.41291849 2.46060752 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 615-74-7 12008 170466879 F 2-Chloro-5-methylphenol Cc1ccc(Cl)c(O)c1 Tox21_112350_1 -NCGC00091643-08 196717011 tox21-ror-cho-viability-p1 set2 -2.2 61.130564862 -53.8739949743 -0.6974944729 -54.5714894472 2.2481167061 0.9066286678 0.0002282297 1.8588563 2.04712729 -0.48108195 5.63290727 -6.69852725 1.26143538 -0.39332595 0.24480845 -5.18478557 -0.41872242 -0.6492565 -6.6243888 -7.46925726 -13.97710789 -41.34203746 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00068236-07 196712462 tox21-ror-cho-viability-p1 set2 1.1 2.6603212004 88.459702076 1.2379388919 89.6976409679 3.9899729863 0.9948815688 0 0.76346845 -0.46102961 -0.52229216 0 0.60654274 0.91199482 3.34372662 -0.13788864 5.0252489 5.24050684 15.2292199 77.54093135 88.06284816 95.830813 85.00021591 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112811-59-3 5379 170465592 A Gatifloxacin CC1CN(CCN1)c2c(F)cc3c(c2OC)N(C=C(C3=O)C(=O)O)C4CC4 Tox21_110984_1 -NCGC00260319-01 196712050 tox21-ror-cho-viability-p1 set2 4 13.7228385983 17.5061374359 -3.0061374359 14.5 4.0949729863 0.7653205805 0.0153642605 -0.3580373 -5.29258133 -4.46554537 -0.87058162 -0.58494003 -0.84927709 -7.50511453 -6.08264393 -3.32577353 -1.03646206 -3.03456501 -3.09727179 0.65352157 1.17351173 13.20698847 3.087E-10 6.902E-10 1.543E-9 3.4509999999E-9 7.7169999999E-9 1.726E-8 3.858E-8 8.6279999999E-8 1.929E-7 4.314E-7 9.646E-7 0.000002157 0.000004823 0.000010779999999 0.00002412 9005-00-9 75050 144209970 Ac Polyethylene glycol stearyl ether OCCOCCCCCCCCCCCCCCCCCC Tox21_202772 -NCGC00016715-04 196712455 tox21-ror-cho-viability-p1 set2 4 -1.94891438 -3.82619979 -3.24638266 -2.42611343 -4.45947396 -5.08553303 -1.33693943 -2.42111536 -2.60545418 -2.14802079 -2.81831038 -0.80029216 0.37873527 0.00230393 -0.94294994 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15421-84-8 5531 170465770 A Trapidil CCN(CC)c1cc(C)nc2ncnn12 Tox21_110578_1 -NCGC00016008-04 196712473 tox21-ror-cho-viability-p1 set2 4 0.065006 -0.39423978 -1.84420588 1.32957209 -1.75985726 -1.64977679 1.83883936 3.62875948 2.57374083 1.57914497 2.90189822 1.31854158 3.1396493 1.20662351 3.02582519 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56-34-8 5946 170466200 F Tetraethylammonium chloride [Cl-].CC[N+](CC)(CC)CC Tox21_111281_1 -NCGC00015360-08 196712878 tox21-ror-cho-viability-p1 set2 2.4 14.575039053 20.3748703401 0.6251296599 21 1.9673362061 0.7458277258 0.0209169365 6.50455319 -0.93899608 -1.56239195 -0.21181114 -1.14019699 -0.54417583 1.09638978 -0.01055169 -0.03862097 3.66252122 3.99989753 -1.34645168 4.61718175 6.02819492 16.58222171 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 67-43-6 3053 170465150 A Pentetic acid O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O Tox21_110131_1 -NCGC00094748-07 196712882 tox21-ror-cho-viability-p1 set2 3 37.5780357627 51.9120475809 -2.9471396499 48.964907931 4.9549173134 0.6634147434 0.0562407076 -5.09595764 -2.35244381 -0.76352043 0.20315889 -2.11229076 -1.91846981 -0.96420957 -3.31298023 -0.81779526 0.15211455 -0.09608129 1.66971263 -0.9729099 -29.24200967 46.23556351 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 129-20-4 4641 170465310 A Oxyphenbutazone Oc1ccc(cc1)N3C(=O)C(CCCC)C(=O)N3c2ccccc2 Tox21_110414_1 -NCGC00015860-06 196712889 tox21-ror-cho-viability-p1 set2 4 0.94017429 -1.00073692 -1.12069734 2.28279398 1.0132406 2.5591876 1.25021081 1.54190409 1.49066158 2.2854694 -0.70632254 1.31798961 1.5012874 2.79457647 0.58674382 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1786-81-8 92163 170464697 A Prilocaine hydrochloride Cl.O=C(Nc1ccccc1C)C(C)NCCC Tox21_110513_1 -NCGC00188863-02 196712891 tox21-ror-cho-viability-p1 set2 -2.1 26.6032120037 -90.2893230652 0.1630483109 -90.1262747543 2.5884283767 0.9739145674 2.188E-7 2.38111791 10.54658147 -0.05848114 -0.74786815 1.11018733 0.05708611 0.13787014 -2.16091348 -1.95912318 -0.06543342 -1.81054344 -4.72056255 -4.2544671 -29.8071505 -72.82293542 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 141626-36-0 208898 170465064 A Dronedarone hydrochloride CCCCN(CCCC)CCCOc1ccc(cc1)C(=O)c2c3cc(ccc3oc2CCCC)NS(C)(=O)=O Tox21_113008_1 -NCGC00174046-02 196713295 tox21-ror-cho-viability-p1 set2 4 5.39707196 6.00861858 4.58812846 3.26585426 5.68975672 2.22962811 4.15009105 1.52813919 2.5082305 2.19588581 3.06580028 1.24404474 2.81561822 5.74873869 2.09807409 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 55750-06-6 9983292 170466330 A Imidocarb dipropionate CCC(=O)O.CCC(=O)O.O=C(Nc1cc(ccc1)C2=NCCN2)Nc3cccc(c3)C4=NCCN4 Tox21_112415_1 -NCGC00256140-01 196709822 tox21-ror-cho-viability-p1 set2 4 -3.46793948 2.68828908 -0.04088687 0.91483474 -0.2404112 0.99480863 -3.00063833 -0.71753347 0.49001257 -1.47219522 -0.07792804 1.55654904 1.26580302 0.80776154 1.94847483 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 30374-01-7 104386 144211593 F F Isooctyl 3-mercaptopropionate CC(C)CCCCCOC(=O)CCS Tox21_301276 -NCGC00256046-01 196710217 tox21-ror-cho-viability-p1 set2 4 0.0017228934 12.092668188 -13.092668188 -1 4.4494702849 0.8510122668 0.0022684224 -11.32722349 -2.67636954 -1.03391657 -3.91435496 -0.46816133 -1.05501399 -0.76756 0.21693498 -0.94789486 -2.3370112 -2.91575706 -0.24917233 -0.61084727 -1.30706052 -0.8171923 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47051 18756 144212621 F Fns Ocimene-Limonene mixture C=CC(C)=CC\C=C(\C)C Tox21_302304 -NCGC00255958-01 196709804 tox21-ror-cho-viability-p1 set2 4 4.1438166 -0.93326183 -0.84196349 -0.54031358 -0.12099707 0.13836946 1.09292636 0.7660785 1.15381313 -4.36473661 0.26690874 -0.22535713 0.9514378 1.50527577 1.6210888 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 629-03-8 12368 144212376 F A 1,6-Dibromohexane BrCCCCCCBr Tox21_302059 -NCGC00255716-01 196709816 tox21-ror-cho-viability-p1 set2 4 0.0021689943 11.6234429199 -10.1234429199 1.5 3.5117481694 0.8492674099 0.002378034 -8.8528691 -2.19694079 2.12087228 0.099055 2.40498775 -0.48717859 0.77281002 2.13563056 1.27565073 2.11915261 0.29224844 1.43749548 3.23023617 1.56042591 3.99001469 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1501-27-5 73917 144211755 Z A 5-Methoxy-5-oxopentanoic acid OC(=O)CCCC(=O)OC Tox21_301438 -NCGC00255641-01 196710224 tox21-ror-cho-viability-p1 set2 4 1.39718602 1.56049864 4.25709573 0.07769062 -0.07533725 4.52752219 0.18249799 0.60719037 1.79368214 1.13490483 1.56270036 1.55756908 -0.81669333 -0.85030909 0.69497935 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 2835-68-9 76079 144211973 A A 4-Aminobenzamide O=C(N)c1ccc(N)cc1 Tox21_301656 -NCGC00255179-01 196710229 tox21-ror-cho-viability-p1 set2 4 -1.09481885 -6.25177144 -4.01013734 -2.59885162 -1.62920123 -6.50901493 -11.41137556 -12.7590578 -3.65282094 -2.21627672 -3.79855298 1.05573187 0.32627024 -3.51370183 -4.76551578 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-51-3 6649 144212293 A D 4,4'-Oxybis(benzenesulfonhydrazide) O=S(=O)(NN)c2ccc(Oc1ccc(cc1)S(=O)(=O)NN)cc2 Tox21_301976 -NCGC00163815-04 196710230 tox21-ror-cho-viability-p1 set2 -2.1 65.1933385464 -88.317903543 -6.478878801 -94.796782344 2.4063783767 0.953819108 0.0000054333 -1.98509585 -4.53778438 -8.61462813 -11.94621515 -7.64416029 -0.27027671 -7.36323961 -13.73269808 -7.90339834 -5.01729552 -5.60634286 -3.06090154 -14.52192938 -27.12996014 -71.8157442 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00256014-01 196710231 tox21-ror-cho-viability-p1 set2 4 -5.6362398 -3.93977974 -5.59908218 -1.92801636 -2.82839373 -3.74471879 -4.1013488 0.16822058 -3.91913832 -3.41101327 2.69492343 -3.24715903 0.50351614 -2.51987681 -5.96505975 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14228-73-0 61718 144212026 F B 2,2'-[Cyclohexane-1,4-diylbis(methanediyloxymethanediyl)]dioxirane C2CC(COCC1CO1)CCC2COCC3CO3 Tox21_301709 -NCGC00255296-01 196710643 tox21-ror-cho-viability-p1 set2 -2.2 43.2771256911 -42.2241543541 0.8996212049 -41.3245331492 2.7202212143 0.9749052395 1.758E-7 0.35820943 -1.51418101 1.06636619 -1.28396315 2.87578686 -0.20767433 -1.19439183 1.2095222 4.39429314 -0.34566207 0.8478625 2.0097225 -1.11551679 -19.32261984 -36.60949481 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15791-78-3 5360487 144212204 B B C.I. Disperse Blue 27 [O-][N+](=O)c4ccc(O)c2c4C(=O)c1c(ccc(O)c1C2=O)Nc3ccc(CCO)cc3 Tox21_301887 -NCGC00255994-01 196710645 tox21-ror-cho-viability-p1 set2 4 1.50765316 -3.54856038 0.79585239 -0.99978809 -0.58275 -0.91836044 -0.69262576 -1.1976451 -1.88073234 -3.4723357 -0.56251404 -1.36249388 0.75122164 -3.90729515 -1.62552106 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 2217-02-9 6997371 144211665 A A (1R)-endo-(+)-Fenchyl alcohol C[C@@]12CC[C@@H](C1)C(C)(C)[C@@H]2O Tox21_301348 -NCGC00255818-01 196710651 tox21-ror-cho-viability-p1 set2 4 0.0015355304 11.3002962479 -11.8002962479 -0.5 4.9549173134 0.4912759143 0.1885458281 -9.41691354 0.29473717 -0.26414112 -0.91187016 -0.29352141 -0.74463401 -5.3166206 -2.61865053 -1.02062593 -1.69726161 0.13716219 -1.17171292 -0.15142669 3.57390459 4.82566969 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1118-12-3 14233 144212398 A A (1,1-Dimethylethyl)urea CC(C)(C)NC(N)=O Tox21_302081 -NCGC00255505-01 196711048 tox21-ror-cho-viability-p1 set2 4 -3.34436221 -5.48375681 1.76594309 -1.11821293 -5.77146821 0.02933426 -5.972073 1.60921588 0.81378511 -0.93906108 2.14296129 0.88928099 1.09232363 -0.93955589 2.70742746 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2100-42-7 246724 144212407 A A 2-Chloro-1,4-dimethoxybenzene COc1ccc(cc1Cl)OC Tox21_302090 -NCGC00256139-01 196711049 tox21-ror-cho-viability-p1 set2 4 -0.47508611 3.07607978 1.95255667 1.26966428 1.87302609 -0.06462234 0.08766737 0.07101154 0.21270975 0.87313064 0.52647909 0.59588282 0.52786416 0.75885231 2.97359844 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 488-10-8 1549018 144212142 A Fc Jasmone CC=1CCC(=O)C=1C\C=C/CC Tox21_301825 -NCGC00091902-08 196729919 tox21-ror-cho-viability-p1 set3 4 48.5577336745 -16.8618951039 1.5 -15.3618951039 3.0654483358 0.9529254748 0.0000061682 2.61872146 0.7878274 1.81571468 1.86803551 -0.01982324 3.4450287 1.47861776 0.22975499 1.26417898 2.08520847 2.24545101 2.32301143 0.7459625 -4.83006354 -13.21824592 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00258755-01 196729920 tox21-ror-cho-viability-p1 set3 4 48.9036036319 -27.2794850079 1.5 -25.7794850079 1.9673362061 0.9497111061 0.0000087534 2.87042246 1.91041401 1.07562217 2.37048506 4.80175702 -0.40248486 2.2169359 -0.71881088 0.57908851 0.79411066 1.06452928 0.16844932 -0.92477614 -10.85873919 -19.39957084 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.968E-8 6.6359999999E-8 1.484E-7 3.318E-7 7.4189999999E-7 0.000001659 0.000003709 0.000008295 0.00001855 0.000041469999999 0.00009274 26538-44-3 2999413 144208401 A A Zearalanol Oc1cc(O)cc2CCCCC[C@@H](O)CCC[C@H](C)OC(=O)c12 Tox21_201203 -NCGC00258209-01 196729914 tox21-ror-cho-viability-p1 set3 -3 2.3472891105 -38.95637882 -2 -40.95637882 1.331 0.6045115726 0.165395132 -0.43861278 -10.13580645 0.33408818 0.25989144 -0.85634933 -1.60171219 -1.34756258 0.20440302 -21.75465087 -4.81579094 -30.79698235 -0.82037558 -10.67114904 -7.14051606 -3.20073888 1.1449999999E-9 2.56E-9 5.724E-9 1.28E-8 2.8619999999E-8 6.399E-8 1.431E-7 3.2E-7 7.155E-7 0.0000016 0.000003577 0.0000079989999999 0.00001789 0.000039999999999 0.00008943 57018-52-7 92629 144207853 A A 1-tert-Butoxy-2-propanol CC(C)(C)OCC(C)O Tox21_200655 -NCGC00257957-01 196729915 tox21-ror-cho-viability-p1 set3 -2.4 30.8872845316 -22.239936412 0.5 -21.739936412 2.09374246 0.8346900318 0.0035043637 0.31326118 1.24926305 -4.22958822 0.79381388 0.66216205 -0.25937751 -4.18197228 1.59669816 2.92942844 4.86307042 4.09161568 0.32327893 -7.83285382 -10.69295964 -21.44994701 1.188E-9 2.657E-9 5.942E-9 1.3289999999E-8 2.971E-8 6.6429999999E-8 1.4849999999E-7 3.321E-7 7.427E-7 0.0000016609999999 0.000003714 0.000008304 0.00001857 0.00004152 0.00009284 148-18-5 533728 144207601 BC F Sodium diethyldithiocarbamate [Na+].CCN(CC)C([S-])=S Tox21_200403 -NCGC00258526-01 196729922 tox21-ror-cho-viability-p1 set3 2.4 22.7612984571 25.936727408 0.563272592 26.5 1.8616924601 0.9644190443 0.0000012794 1.26689621 1.13300591 0.60885389 1.60145193 2.85748415 0.13029184 -1.19727284 0.52228233 2.45398402 -0.99392113 0.08382551 1.78172113 12.37147476 17.66265726 25.20836957 1.1159999999E-9 2.494E-9 5.5779999999E-9 1.247E-8 2.789E-8 6.236E-8 1.394E-7 3.118E-7 6.972E-7 0.0000015589999999 0.000003486 0.0000077949999999 0.000017429999999 0.000038979999999 0.00008715 2664-63-3 17570 144208171 A A 4,4'-Thiodiphenol Oc1ccc(cc1)Sc2ccc(O)cc2 Tox21_200973 -NCGC00257757-01 196730317 tox21-ror-cho-viability-p1 set3 4 0.40890702 -5.7563198 -3.72026073 -3.95401261 -2.25681227 -1.87039911 -0.30113131 -4.71069913 -4.45410649 -2.69966906 -0.18662389 -0.04868393 0.85284831 -0.39503385 3.58779824 1.16E-9 2.5929999999E-9 5.798E-9 1.2959999999E-8 2.8989999999E-8 6.482E-8 1.45E-7 3.241E-7 7.2479999999E-7 0.000001621 0.000003624 0.000008103 0.00001812 0.00004052 0.00009059 534-22-5 10797 144207401 A 2-Methylfuran Cc1ccco1 Tox21_200203 -NCGC00258781-01 196730318 tox21-ror-cho-viability-p1 set3 4 39.0026498224 -20.682714712 1 -19.682714712 1.331 0.8080323861 0.0067334368 0.88186256 2.14459419 5.20633187 4.23345803 -1.60805652 2.3373569 1.70217088 1.13577126 -1.97369548 -0.64813917 -3.6071992 -3.04050228 -0.77839988 -10.05359541 -16.40226226 1.191E-9 2.663E-9 5.955E-9 1.332E-8 2.977E-8 6.6579999999E-8 1.489E-7 3.3289999999E-7 7.4439999999E-7 0.0000016639999999 0.0000037219999999 0.000008322 0.00001861 0.000041609999999 0.00009305 1137-42-4 14347 144208427 A A 4-Hydroxybenzophenone O=C(c1ccc(O)cc1)c2ccccc2 Tox21_201229 -NCGC00257855-01 196730319 tox21-ror-cho-viability-p1 set3 4 -4.77563556 -0.30564796 -5.57971651 -3.3260465 2.0205428 -5.3113651 -5.25376141 3.08542999 -3.16165882 -3.76584669 -5.08157078 -16.86098673 4.94288666 2.33339197 4.12745534 1.198E-9 2.679E-9 5.989E-9 1.339E-8 2.995E-8 6.696E-8 1.497E-7 3.3479999999E-7 7.487E-7 0.0000016739999999 0.0000037429999999 0.000008371 0.000018719999999 0.00004185 0.00009359 18640-74-9 62725 144207499 A A 2-(2-Methylpropyl)thiazole CC(C)Cc1nccs1 Tox21_200301 -NCGC00257641-01 196730323 tox21-ror-cho-viability-p1 set3 4 -0.18303963 0.6652673 -0.72513872 -0.0343064 0.69894813 -2.57870358 2.74337422 0.58041973 0.53139939 -0.35077579 2.49836345 -0.74603208 0.52678924 2.54377511 -0.93234913 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004132 0.0000924 19952-47-7 29872 144207285 A A 2-Amino-4-chlorobenzothiazole Clc2cccc1sc(N)nc12 Tox21_200087 -NCGC00257942-01 196730326 tox21-ror-cho-viability-p1 set3 4 0.24166723 2.76513575 5.10913977 0.91458268 1.11333746 0.7507932 2.91489726 1.40048206 2.41358509 1.95148738 2.87594485 -0.21155634 2.66163897 3.35616851 1.33116971 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.00004125 0.000092249999999 100-40-3 7499 144207586 FNS 4-Vinylcyclohexene C=CC1CC=CCC1 Tox21_200388 -NCGC00257583-01 196730333 tox21-ror-cho-viability-p1 set3 4 -2.78021537 -4.42627667 -4.36863236 -4.76036882 -12.55414112 -5.47144337 -1.88253933 -23.7539745 -14.47251443 -29.61218178 -27.81624062 -9.2193291 -2.49207502 -0.61807464 0.76112147 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.386E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 127-91-3 14896 144207227 FNS beta-Pinene CC2(C)C1CCC(=C)C2C1 Tox21_200029 -NCGC00091278-03 196730335 tox21-ror-cho-viability-p1 set3 4 1.14506454 0.21073161 0.09675702 0.45508874 0.70864973 -0.25058747 1.66199323 0.28206031 5.52727791 -1.40475118 4.85477582 5.16274512 1.99078058 -0.04559799 2.04028716 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00015162-10 196717440 tox21-ror-cho-viability-p1 set2 4 -1.82034566 -5.35698894 -1.60781505 -6.19706116 -0.62005181 -5.87069285 -4.99027593 2.93906606 2.80504714 -3.84623787 -1.20799959 -3.80428689 2.12171709 -2.38916478 -3.06081143 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 36505-84-7 2477 170464909 A Buspirone O=C4CC1(CCCC1)CC(=O)N4CCCCN2CCN(CC2)c3ncccn3 Tox21_110092_1 -NCGC00263544-01 196717439 tox21-ror-cho-viability-p1 set2 4 -0.4276948 0.47339555 2.12304099 1.29631968 3.63809041 0.7440869 1.82400011 -0.25108878 2.05759761 1.02921346 2.38226627 1.21202433 0.67489793 0.10929962 0 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 24584-09-6 71384 170464709 A Dexrazoxane hydrochloride O=C2CN(C[C@H](C)N1CC(=O)NC(=O)C1)CC(=O)N2 Tox21_112256_1 -NCGC00015817-14 196717849 tox21-ror-cho-viability-p1 set2 4 4.7307944147 -12.533757988 2.5 -10.033757988 0.8999999999 0.6862573538 0.0448256407 -0.67869279 0.4283276 -0.08564936 -0.21376394 5.86074712 4.40365844 4.89589108 7.6253954 -1.78193624 -0.63717616 -2.3205471 -3.38654997 -4.89221085 -6.46405421 -9.61146499 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60-87-7 4927 170465107 A Promethazine CN(C)C(C)CN1c3ccccc3Sc2ccccc12 Tox21_110227_1 -NCGC00249906-01 196717854 tox21-ror-cho-viability-p1 set2 4 0.79307137 5.82802924 4.47335256 6.29068672 6.50076567 5.16467634 7.31878313 6.76165244 0.73226226 0.31694072 4.54317669 -0.96835266 -0.0580911 -1.42061577 1.33526306 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13912-80-6 14866 170465989 A A Nicoboxil O=C(OCCOCCCC)c1cccnc1 Tox21_113682 -NCGC00256447-01 196718252 tox21-ror-cho-viability-p1 set2 4 2.67623948 2.6580188 0.2143166 -0.18182077 -0.51353758 -0.69736548 -1.89236848 0.23480821 2.83478849 -4.33045457 -2.18419202 -3.96676028 -2.32375392 0 -1.28401541 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-69-3 7103 144213051 A A 4-Phenylphenol Oc1ccc(cc1)c2ccccc2 Tox21_302734 -NCGC00256817-01 196718255 tox21-ror-cho-viability-p1 set2 4 0.76863309 0.61391623 -0.61776714 2.93105959 0.91153255 4.257991 0.23208542 5.70587995 0.90932159 3.16032835 7.30250517 4.08066554 1.62534012 4.94654729 2.90965802 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2499-59-4 17258 144212845 A Ac Octyl prop-2-enoate CCCCCCCCOC(=O)C=C Tox21_302528 -NCGC00256744-01 196718266 tox21-ror-cho-viability-p1 set2 4 0.3813648 -0.19383665 2.36867766 0.14026917 1.73823832 -6.6104141 -0.97119924 -0.06713612 -7.41100011 -1.45376103 1.6434086 1.24925727 -0.3220178 1.47855974 0.3338269 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 104-50-7 7704 144212886 A A 4-Octanolide CCCCC1CCC(=O)O1 Tox21_302569 -NCGC00257173-01 196718672 tox21-ror-cho-viability-p1 set2 4 76.9588215421 11.8283516601 0.1716483399 12 4.9549173134 0.5880409013 0.1079305025 -1.53410773 -1.94029305 0.26187014 -0.50104026 -0.98727622 1.09436611 0.40855917 0.10701375 -1.50641827 0.21694429 -1.49552657 5.75624717 0.5623826 0.15344389 8.51661978 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 51-17-2 5798 144213638 A A Benzimidazole c1cccc2ncnc12 Tox21_303321 -NCGC00256581-01 196718687 tox21-ror-cho-viability-p1 set2 1.1 30.6378586933 71.7999235861 -1.320455175 70.4794684111 4.9549173134 0.9855048621 7.3E-9 -2.64373186 -3.02255124 0.96773357 0.96898261 -2.39807536 -0.9194359 -0.40862114 -1.97187168 -1.75774155 1.72591896 -0.32444125 -3.41906011 0.73238945 55.30611072 78.75677032 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 389-08-2 4421 144213071 A A Nalidixic acid O=C(O)C2=CN(CC)c1nc(C)ccc1C2=O Tox21_302754 -NCGC00255070-01 196719539 tox21-ror-cho-viability-p1 set3 4 0.086349218 9.5 3 12.5 2.3331733767 0.7417826788 0.0284816406 5.58589955 2.69318626 3.20808232 1.26766949 3.58694341 5.00645971 12.55959013 11.91951057 13.51577754 11.47283602 17.01028569 14.78629835 12.84961539 5.51911512 4.66684878 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-49-3 7873 144211489 I Tetraethyl pyrophosphate CCOP(=O)(OP(=O)(OCC)OCC)OCC Tox21_301172 -NCGC00254626-01 196714116 tox21-ror-cho-viability-p1 set2 4 21.6899429044 5.2170369239 -2.7170369239 2.5 4.9549173134 0.4177944486 0.2588829175 -2.91798649 -4.05503355 -3.59717509 -0.54291911 0.16185478 -1.7500214 -6.16092262 -4.3116198 0.56171916 -6.84753077 -0.98068661 -2.64776408 -0.96951256 3.71297627 1.10381058 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 35554-44-0 37175 144211037 A A Imazalil Clc2ccc(C(OCC=C)Cn1ccnc1)c(Cl)c2 Tox21_300720 -NCGC00066947-05 196713705 tox21-ror-cho-viability-p1 set2 4 5.03712418 2.50245892 4.45885833 1.27178618 0.53396495 4.54031768 0.39607829 -1.79442715 -2.38501265 0.22616632 0.02858266 0.14771374 -2.52879937 1.52207541 0.03936985 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00166206-04 196713718 tox21-ror-cho-viability-p1 set2 4 5.3080386368 -13.002519692 2.5 -10.502519692 0.2 0.4757181121 0.2218136397 0.48872372 2.75386058 0.95331715 -1.45614878 -3.06831728 -2.77474475 -1.25849166 -3.10915733 -0.49764498 -1.7989601 -0.09783378 -2.34474575 -7.91876641 -5.12564539 0.76894434 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 643-79-8 4807 170466016 F 1,2-Benzenedicarboxaldehyde O=Cc1ccccc1C=O Tox21_112347_1 -NCGC00254224-01 196714779 tox21-ror-cho-viability-p1 set2 4 2.00222011 0.00235954 1.96772827 0.0255964 -0.43592059 5.90227201 1.64307503 0.30603671 -0.06570187 1.47922505 2.42472857 6.99122496 4.57966894 5.15027201 5.40331859 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84-75-3 6786 144210485 A A Dihexyl phthalate O=C(OCCCCCC)c1ccccc1C(=O)OCCCCCC Tox21_300165 -NCGC00254844-01 196714366 tox21-ror-cho-viability-p1 set2 4 -0.94146602 0.08879682 -0.84132877 0.18773325 0.3671388 0.94856558 -5.69814312 -1.69608598 0.91759595 -6.77569957 0.39488324 -1.02000832 -3.61769674 -2.5772992 -1.63090261 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 487-06-9 2775 144211259 A A 5,7-Dimethoxy-2H-chromen-2-one COc2cc(cc1OC(=O)C=Cc12)OC Tox21_300942 -NCGC00255084-01 196714373 tox21-ror-cho-viability-p1 set2 4 0.0000468147 85.74364584 58.21194238 18.97755883 2.3743323 3.15159315 1.92288627 0.56956361 -0.93795676 -0.134604 3.88720305 3.74083204 4.68036038 3.98674862 2.44038136 4.59401774 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-66-4 7881 144211503 A A Phosphoric acid, dibutyl ester CCCCOP(O)(=O)OCCCC Tox21_301186 -NCGC00254331-01 196714776 tox21-ror-cho-viability-p1 set2 4 96.8854161011 -17.2387497 -6.589981268 -23.828730968 0.3 0.4723716683 0.204917714 -10.43087388 -4.70817685 -3.82498439 -9.54973881 -10.38037152 -10.1967523 -5.74013924 -8.04287493 -11.22023902 -14.95433597 -9.53434541 -7.13744456 -11.46002784 -15.4515729 -18.19060914 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1191-50-0 23665770 144210694 A A Sodium myristyl sulfate [Na+].[O-]S(=O)(=O)OCCCCCCCCCCCCCC Tox21_300376 -NCGC00254951-01 196714781 tox21-ror-cho-viability-p1 set2 -2.4 24.3365162115 -31.7475093799 1 -30.7475093799 2.09374246 0.9739012156 2.202E-7 0.11313139 -0.42182347 1.63894457 -0.041466 0.41863644 1.58290514 0.01469754 0.72661744 1.78541316 0.40344873 0.05456546 0.91508241 -13.76542382 -20.39121371 -29.78959115 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131341-86-1 86398 144211366 A A Fludioxonil N#Cc3cncc3c1cccc2OC(F)(F)Oc12 Tox21_301049 -NCGC00254913-01 196714788 tox21-ror-cho-viability-p1 set2 4 0.4855773367 -4.6864992839 -0.5 -5.1864992839 4.9549173134 0.6025313824 0.096958252 -2.47404155 1.20322019 0.13706451 -2.82028469 0.38592756 -0.42582405 -2.914863 1.42444802 -6.69825242 -5.08995419 -5.21876824 -3.80592291 -3.00094288 -8.90541607 -4.58838575 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 928-96-1 5281167 144211328 F (Z)-3-Hexen-1-ol CC\C=C/CCO Tox21_301011 -NCGC00254869-01 196715182 tox21-ror-cho-viability-p1 set2 4 -0.39297673 -7.00122272 -1.47409111 -1.8141102 0.59676418 -5.78447462 -4.59705744 -6.21084374 -2.07766895 0.24426038 -2.24443904 -7.26840084 0.80164347 2.0758377 -0.47581751 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18691-97-9 29216 144211283 A A Methabenzthiazuron CNC(=O)N(C)c1nc2ccccc2s1 Tox21_300966 -NCGC00256290-01 196711059 tox21-ror-cho-viability-p1 set2 4 4.49877603 5.04063564 6.06814022 4.25108263 1.52239605 0.11590561 -0.17087958 0.5424599 0.08376454 -1.9384997 -0.31240209 -0.18718858 0.41636657 -0.04249877 6.54471249 1.167E-9 2.609E-9 5.8339999999E-9 1.304E-8 2.917E-8 6.522E-8 1.458E-7 3.261E-7 7.2919999999E-7 0.000001631 0.000003646 0.000008153 0.00001823 0.000040759999999 0.00009115 6228-25-7 80373 144211969 A A 1,3-Dioxane-5,5-diyldimethanol OCC1(CO)COCOC1 Tox21_301652 -NCGC00255669-01 196711051 tox21-ror-cho-viability-p1 set2 4 1.45208746 0.09941745 -1.43950477 -0.28556856 -2.43834177 -0.32543318 -0.29311764 0.56937643 -2.310769 0.34211374 -2.9330494 -2.97326017 1.37278111 0.18827111 -0.5915483 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79558-09-1 6603901 144212730 A A 4-[3-(4-Acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy-acetic acid Oc2c(ccc(OCCCOc1ccc(OCC(=O)O)cc1)c2CCC)C(C)=O Tox21_302413 -NCGC00255712-01 196711052 tox21-ror-cho-viability-p1 set2 4 6.5768006 -0.28446468 0.73836147 1.74774323 1.63797725 1.79990696 1.78522906 1.0631116 3.4737022 1.37414405 0.5061391 0.61480568 -1.27394786 -1.38126962 1.52026525 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-07-9 6515 144211691 F Ethyltriethoxysilane CCO[Si](OCC)(OCC)CC Tox21_301374 -NCGC00256256-01 196711054 tox21-ror-cho-viability-p1 set2 4 -1.38275864 0.71668609 0.5270058 1.33851083 1.12914967 0.5101858 0.0545138 1.12836034 0.48316644 0.20407985 0.28005325 -1.31474102 0.56033013 4.31473843 6.6144523 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7549-37-3 24191 144211936 F F 1,1-Dimethoxy-3,7-dimethylocta-2,6-diene COC(C=C(C)CC\C=C(/C)C)OC Tox21_301619 -NCGC00090885-03 196711064 tox21-ror-cho-viability-p1 set2 4 5.48005546 -1.73064667 0.09089542 -1.42502256 3.494392 3.22786012 -1.35199566 3.56211412 0.07344817 0.87690868 -1.30282466 0.04654071 2.01292977 5.14969935 0.28212603 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00255502-01 196711067 tox21-ror-cho-viability-p1 set2 4 0.06620737 -4.20946788 -1.8106557 -5.36929715 -5.78556218 -4.91040728 -6.86958931 -7.63374836 -0.65830825 0.11529288 -5.69497691 -2.29683938 -0.15567498 -1.97142129 -2.4618543 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3653-48-3 2724048 144212703 Ac Ac MCPA-sodium [Na+].Clc1cc(C)c(OCC([O-])=O)cc1 Tox21_302386 -NCGC00166256-02 196725620 tox21-ror-cho-viability-p1 set3 4 0.0375780358 7.31985634 0.68014366 8 1.9673362061 0.3874036397 0.2846550924 1.32456486 0.00373675 -0.26654695 3.61220769 1.70530944 1.50345668 7.69460788 15.68046849 0.32737954 0.84989129 11.31241093 6.43503509 11.25863745 6.74327006 9.19487226 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25526-93-6 33039 170466324 A Alovudine CC1=CN(C(=O)NC1=O)[C@H]2C[C@H](F)[C@@H](CO)O2 Tox21_112376_1 -NCGC00061506-03 196725609 tox21-ror-cho-viability-p1 set3 4 0.2371013766 -5.1890091599 0.5 -4.6890091599 4.9549173134 0.3916893214 0.2983375459 0.49595859 -0.01392821 0.10178748 0.10732629 0.3045587 -0.3909122 0.41190028 0.69572668 -5.02626328 -9.3241743 1.81789329 0.80458733 -6.70131024 -8.68389721 -0.56108432 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 29876-14-0 65768 170466343 A Nicotredole O=C(NCCc2cnc1ccccc12)c3cccnc3 Tox21_110977_1 -NCGC00167457-02 196725613 tox21-ror-cho-viability-p1 set3 -2.4 37.5780357627 -28.400815636 1 -27.400815636 4.9549173134 0.8353098062 0.0034484504 0 0 0 -0.40979935 2.66194615 0.2125708 2.64608564 -3.2695483 3.46090568 2.19247819 -3.16931868 -1.29008571 4.63584335 3.7978909 -22.83401303 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16320-04-0 27812 170466364 A Gestrinone O=C3C=C4CC[C@@H]2C(C=C[C@@]1(CC)[C@H]2CC[C@@]1(O)C#C)=C4CC3 Tox21_112461_1 -NCGC00183015-01 196725619 tox21-ror-cho-viability-p1 set3 4 9.4391758155 -10.951999716 6.5 -4.451999716 4.0949729863 0.5348664552 0.1485208682 1.59711085 2.27328891 11.6419913 12.37897031 11.53305522 4.29617585 6.78751966 8.40718894 4.04095322 1.54612475 3.96500868 7.15788645 1.27437591 -3.10433518 -5.37666643 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122341-38-2 60751 144206848 B C Temoporfin Oc1cccc(c1)c9c2CCc(n2)c(c3cccc(O)c3)c4ccc(n4)c(c5cccc(O)c5)c6C=Cc(n6)c(c7cccc(O)c7)c8ccc9n8 Tox21_113297 -NCGC00167558-02 196725622 tox21-ror-cho-viability-p1 set3 1.1 4.2163249602 71.6001128348 -4.319636008 67.2804768268 1.24751 0.94536026 0.0000136234 -4.7973483 -11.51636334 -4.81720726 -1.90505238 2.89496327 0.91618435 -6.52343548 -4.07358443 1.02991061 -5.44030359 26.18629322 20.81483379 53.01388571 56.91488971 64.61961527 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79660-72-3 3357 170466056 A Fleroxacin CN1CCN(CC1)c2c(F)c3c(cc2F)C(=O)C(=CN3CCF)C(=O)O Tox21_112553_1 -NCGC00091612-09 196725625 tox21-ror-cho-viability-p1 set3 4 0.65988114 -8.9053948 -1.51660748 -1.36767716 -5.31559405 -2.11685595 2.48197326 2.617147 -3.03517653 -2.22340396 -6.97671489 -2.89357475 1.79287939 -2.31610421 -5.03658243 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 102-76-1 5541 170465543 F Triacetin O=C(C)OC(COC(C)=O)COC(=O)C Tox21_111155_1 -NCGC00247710-02 196725629 tox21-ror-cho-viability-p1 set3 2.2 18.8336317891 65.3045530251 -2.3602362629 62.9443167622 3.0654483358 0.9351301445 0.0000343018 0 -8.41402969 -1.50294237 0.4789112 -5.7151869 1.91618834 -7.72235801 2.98027457 0.9902434 -3.21591561 4.15938574 -4.40065511 -3.94098944 40.52448925 56.31795761 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3239-45-0 66264 170465626 A Dexfenfluramine hydrochloride Cl.FC(F)(F)c1cccc(C[C@H](C)NCC)c1 Tox21_112864_1 -NCGC00257169-01 196726451 tox21-ror-cho-viability-p1 set3 4 1.50596123 -5.70702637 0.97031829 -1.52841317 -0.09621683 -0.17365498 -0.00157528 -0.72098386 -7.5036212 -1.34906678 1.07144055 4.8890114 0.06992384 -1.002661 6.37381088 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-77-3 31269 144213581 F Ac Azodicarbonamide NC(=O)/N=N/C(N)=O Tox21_303264 -NCGC00024574-03 196726028 tox21-ror-cho-viability-p1 set3 4 3.3491459627 -8.4234957159 6 -2.4234957159 4.9549173134 0.397179948 0.2749676889 3.22324947 -4.93624643 9.30979369 8.72755746 4.89568665 7.98795153 5.79344874 -0.20377232 7.63089434 11.90130887 10.74667174 -1.0324053 -0.36614621 -2.63969899 -3.10287456 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 124756-23-6 71346 170466789 C Binospirone mesylate CS(=O)(=O)O.O=C4CC1(CCCC1)CC(=O)N4CCNCC2COc3ccccc3O2 Tox21_113054_1 -NCGC00163903-03 196726033 tox21-ror-cho-viability-p1 set3 4 0 -7.51568222 -1.36814933 -8.21510725 -0.8597096 -3.89312963 -5.185414 0.07514933 -3.35356201 16.5968871 -3.11543786 4.02565487 -4.24431474 1.38403724 -3.39061194 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00255481-01 196726441 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -18.848757596 -2 -20.848757596 4.9549173134 0.5027056118 0.1764385372 -0.28599044 2.30657677 -2.26243927 -2.86922661 -1.17326526 -1.58978677 0.15323516 -2.64321507 -0.28999759 -3.29021578 -13.94271992 -0.65760878 1.81158333 -1.0197637 -16.54063133 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-85-2 5995 144212587 A A Testosterone propionate CCC(=O)O[C@H]2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_302270 -NCGC00263561-01 196723169 tox21-ror-cho-viability-p1 set3 4 -0.48681817 0.153333 -0.09476757 -2.60331914 -2.51017041 -1.01517253 -1.55397901 1.22858911 -7.15330972 -10.13600022 -5.81944726 3.56901953 -10.90257285 1.88748526 -13.26560175 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 360-70-3 9677 170464711 F Nandrolone decanoate CCCCCCCCCC(=O)O[C@H]2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@@H]1[C@H]4CC[C@]23C Tox21_111638_1 -NCGC00357180-01 196723990 tox21-ror-cho-viability-p1 set3 4 27.3060203028 -10.7530723119 -0.5 -11.2530723119 4.0949729863 0.409693864 0.2815853429 -4.28179019 0.04725939 -2.11116074 0.58117076 2.08666254 1.46889022 4.05312688 -4.36307638 2.70109077 -5.18442006 -2.66601944 -1.01380394 -2.44080156 -9.37756026 0.94969372 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139968-49-3 11614934 251919751 F Metaflumizone FC(F)(F)Oc1ccc(cc1)NC(=O)N\N=C(/Cc2ccc(C#N)cc2)c3cccc(c3)C(F)(F)F Tox21_303944 -NCGC00018123-07 196723587 tox21-ror-cho-viability-p1 set3 4 26.6032120037 16.1798543401 0.3201456599 16.5 3.9899729863 0.710005245 0.0340535145 2.60181405 -0.62153821 4.46198941 -1.05468777 1.57260456 -1.52720831 3.84246834 -1.05570236 1.27329483 2.07059662 -2.64536661 -0.02400694 -4.73321195 5.10562383 14.91885329 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60-31-1 6060 170464783 Z Acetylcholine chloride [Cl-].C[N+](C)(C)CCOC(=O)C Tox21_113435_1 -NCGC00160663-03 196723167 tox21-ror-cho-viability-p1 set3 4 0.0007497804 16.706175796 -18.706175796 -2 4.4494702849 0.7090145684 0.0429576098 -14.33847983 -2.83519748 0.65530128 -0.72092398 -3.31799871 -3.13389268 0.41916809 -1.69110995 -0.74325052 -3.40481945 -3.0105062 0.73176398 -7.11508691 -0.14234919 9.35927201 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21221-18-1 36663 170466368 A Flazalone O=C(C1CN(C)CCC1(O)c2ccc(F)cc2)c3ccc(F)cc3 Tox21_111968_1 -NCGC00013130-04 196723184 tox21-ror-cho-viability-p1 set3 1.4 0.2371013766 19.6274786759 -14.1274786759 5.5 4.9549173134 0.7700883144 0.0140249518 -2.05748583 -4.85203207 -12.98700391 -17.15763488 -19.64865829 -22.60623223 -17.11523685 -14.41243246 5.75407401 6.2471193 8.75826623 6.89861809 3.36089021 1.23171234 4.86686428 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5424-37-3 79472 170466399 A Aminoquinuride dihydrochloride Cl.Cl.Nc1cc(C)nc2ccc(cc12)NC(=O)Nc3ccc4nc(C)cc(N)c4c3 Tox21_110013_1 -NCGC00356956-01 196724001 tox21-ror-cho-viability-p1 set3 2.4 6.8589621897 28.7375583 -8.7375583 20 0.2 0.7686046221 0.0145085399 -6.44796525 -3.97568464 -1.85657042 -3.98089443 0.71696778 3.91744934 -1.74402042 1.08396559 1.4066769 4.6908961 3.10609082 3.92232697 8.40037118 3.97750952 13.69361889 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110553-27-0 113646 251919784 A 2-Methyl-4,6-bis[(octylthio)methyl]phenol Oc1c(C)cc(cc1CSCCCCCCCC)CSCCCCCCCC Tox21_304010 -NCGC00260155-01 196724002 tox21-ror-cho-viability-p1 set3 4 0.0015433415 15.2722368639 -14.7722368639 0.5 4.9549173134 0.5691517451 0.1207884144 -13.14353072 4.47140306 -6.94253737 -2.88241551 1.42477832 1.48218271 0.67343142 0.73690426 2.37090896 3.3272826 -0.22350073 0.88080032 -2.46831512 2.01889544 2.97014627 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.962E-8 6.622E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 3132-64-7 18430 144209805 F Epibromohydrin BrCC1CO1 Tox21_202607 -NCGC00260594-01 196724006 tox21-ror-cho-viability-p1 set3 4 -10.33821512 -1.69701445 -2.27543167 -3.55921491 1.3830834 1.04555956 3.11458937 -5.9785126 -0.20513902 -3.32019926 -3.01126332 -4.03963849 -7.05529559 2.86186316 3.48089427 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49490 144210247 M M NTP Mix38 CT1 2-EQP Tox21_203049 -NCGC00260252-01 196724017 tox21-ror-cho-viability-p1 set3 4 -4.36465017 -0.69168907 2.61164569 -0.13358794 3.9677868 1.45079007 2.37425408 9.6696518 0.19648876 -7.14646756 -1.96946851 -0.42323045 0.59953486 -1.19976236 5.14251931 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.5809999999E-8 1.472E-7 3.291E-7 7.358E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.00004113 0.00009198 117947-85-0 18374068 144209902 FC 1-Ethyl-1-methylpyrrolidinium tetrafluoroborate F[B-](F)(F)F.C[N+]1(CC)CCCC1 Tox21_202704 -NCGC00015007-14 196697845 tox21-ror-cho-viability-p1 set1 4 4.51451984 6.96796905 6.86481821 3.82042597 0.13263905 -0.68694527 8.44422405 0.50417987 2.28884222 -1.20611079 0.9936968 2.31786487 4.0314567 4.53860275 0.01677256 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56715-13-0 180559 170464744 A R-(+)-Atenolol CC(C)NC[C@@H](O)COc1ccc(cc1)CC(N)=O Tox21_111211_1 -NCGC00091288-05 196697850 tox21-ror-cho-viability-p1 set1 4 0.065104308 -4.485912116 4.5 0.014087884 1.0999999999 0.4309091839 0.2454910299 0.88442819 10.86200383 3.95236087 0.68764526 4.55525918 5.2285896 4.18545192 1.01430379 0.17923779 0.45588479 0.47794068 1.62962132 -0.68761117 -0.82159343 0.18007248 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 83-88-5 493570 170465063 A Riboflavin OC[C@@H](O)[C@@H](O)[C@@H](O)CN2C3=NC(=O)NC(=O)C3=Nc1cc(C)c(C)cc12 Tox21_111714_1 -NCGC00016599-04 196697856 tox21-ror-cho-viability-p1 set1 4 16.7854920005 7.0572714959 -1.0572714959 6 2.6384283767 0.5196047677 0.1646412555 0.27422455 1.96380871 -4.63105958 -1.31415507 -0.16234031 1.27711059 -3.44703389 -2.46987914 0.16431392 -3.21791871 0.21613938 -2.16075802 1.24751182 2.55707602 5.67004215 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2022-85-7 3366 170465407 Z Flucytosine FC1=CNC(=O)N=C1N Tox21_110515_1 -NCGC00015603-08 196698266 tox21-ror-cho-viability-p1 set1 4 -0.29939258 -0.54389635 0.25574426 -0.63365285 0.73382455 0.36254821 2.5310384 3.49231513 -1.03302772 1.10820392 0.31585478 5.73823206 5.24027149 6.81673111 1.71608978 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98079-52-8 68624 170465262 A Lomefloxacin hydrochloride Cl.O=C(O)C2=CN(CC)c1c(F)c(c(F)cc1C2=O)N3CC(C)NCC3 Tox21_110716_1 -NCGC00253933-01 196720170 tox21-ror-cho-viability-p1 set3 4 -6.664756 -8.51126722 -4.10495564 2.43599492 -2.01740123 -4.2743944 3.7016016 1.19631923 1.02800213 5.09387389 -9.64849641 3.89933283 -9.37550698 -7.29076067 -0.72963773 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-60-2 7768 144210483 A A Caprolactam O=C1CCCCCN1 Tox21_300163 -NCGC00259580-01 196720987 tox21-ror-cho-viability-p1 set3 4 21.6899429044 8.2264742919 -3.7264742919 4.5 4.9549173134 0.3385334347 0.3318205517 -6.26881343 -0.3685611 1.0909791 6.27348459 -4.22607766 -8.52206191 -5.67104381 -6.61101174 -7.34160582 -2.61757711 -2.70767366 -6.41086192 -1.36273952 6.51002701 2.10038707 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 41372-08-1 38852 144209229 A A Methyldopa sesquihydrate O.O.O.Oc1ccc(C[C@](C)(N)C(=O)O)cc1O.O=C(O)[C@@](C)(N)Cc1cc(O)c(O)cc1 Tox21_202031 -NCGC00255027-01 196720571 tox21-ror-cho-viability-p1 set3 4 13.43288371 -0.75480298 9.92924644 6.16337967 2.97303608 2.59608842 8.94615525 -3.78266744 8.07893511 7.10117408 7.22757778 8.18725555 5.02001815 3.4778859 4.89262164 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-14-2 6919 144211445 A Ac 2-Furancarboxylic acid O=C(O)c1ccco1 Tox21_301128 -NCGC00163906-02 196720986 tox21-ror-cho-viability-p1 set3 4 -5.24221691 -7.7112487 -1.35507313 -7.06831737 0.00852123 -9.08811161 -1.60200995 -8.05699311 -6.32681165 -0.84247954 -3.68708162 -7.39957159 -1.64236307 -3.96870926 -5.22764715 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00259506-01 196720992 tox21-ror-cho-viability-p1 set3 4 9.4721871743 8.856505804 -1.856505804 7 0.5 0.6158069508 0.0877404711 0.85194158 -0.04346187 -1.47448927 -6.54708817 -2.50329694 -1.45591048 0.0760315 1.09237206 1.46331338 0.02647326 0.63409886 1.65718481 3.70630203 5.35040379 4.16155381 1.158E-9 2.5879999999E-9 5.7879999999E-9 1.2939999999E-8 2.894E-8 6.471E-8 1.447E-7 3.235E-7 7.235E-7 0.000001618 0.000003617 0.000008089 0.000018089999999 0.00004044 0.00009043 124-17-4 31288 144209155 A A 2-(2-Butoxyethoxy)ethyl acetate CCCCOCCOCCOC(C)=O Tox21_201957 -NCGC00259328-01 196720993 tox21-ror-cho-viability-p1 set3 4 -5.89223825 -3.72431261 -3.65104093 4.91073773 -5.79396437 -5.85953679 -5.75533568 -6.60304877 -5.78133502 -1.87577088 -5.98522384 -5.51908759 -5.36446856 1.74725213 -5.05401371 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.33E-7 7.446E-7 0.000001665 0.0000037229999999 0.000008324 0.00001861 0.00004162 0.000093069999999 77-90-7 6505 144208977 A A Acetyl tributyl citrate CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC Tox21_201779 -NCGC00259067-01 196720994 tox21-ror-cho-viability-p1 set3 4 -3.77782822 3.35477608 2.25005983 12.32693492 -6.3752231 -0.89949635 3.71840085 -2.91576004 -2.01240306 8.66009728 -2.76976004 5.67797754 3.22043259 0.43445702 9.20806884 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.476E-7 3.3009999999E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008253 0.00001846 0.00004127 0.000092279999999 142-62-1 8892 144208715 A A Hexanoic acid CCCCCC(=O)O Tox21_201517 -NCGC00260001-01 196721382 tox21-ror-cho-viability-p1 set3 4 34.1316760177 13.382310024 -6.382310024 7 2.4063783767 0.7660649561 0.0152139248 -9.50746616 -9.90192502 -5.82510553 -2.27704477 -3.13606947 -5.70006138 -8.24393745 -8.54608894 -5.13534416 -7.04679648 -6.44711616 -6.12406833 -3.17372805 1.35085201 6.4901064 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.0000036659999999 0.000008198 0.00001833 0.00004099 0.000091659999999 111-65-9 356 144209650 D Octane CCCCCCCC Tox21_202452 -NCGC00258820-01 196721389 tox21-ror-cho-viability-p1 set3 4 0.0174920813 7.975329548 -8.975329548 -1 4.9549173134 0.3879342023 0.2838237765 -11.22944129 -5.62556636 -8.17628729 -11.04248953 5.77490943 2.33874533 -1.19919996 -9.95919968 -5.7847541 -2.03268124 -4.35630016 0.51337331 -3.52815887 0.93879601 5.70938389 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.679E-8 1.493E-7 3.3389999999E-7 7.467E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004174 0.00009334 760-67-8 79103 144208466 D 2-Ethylhexanoyl chloride CCCCC(CC)C(Cl)=O Tox21_201268 -NCGC00259342-01 196721786 tox21-ror-cho-viability-p1 set3 4 31.2620530195 7.541588812 -5.041588812 2.5 4.9549173134 0.5290572209 0.1548712474 -7.95132401 -4.36344981 -4.24278729 2.22609648 -4.51172029 -5.634455 -6.24722081 -6.5881008 -6.32797001 -4.28017627 -6.43538072 -7.48706279 -4.61794661 1.10980614 2.6269488 1.1999999999E-9 2.684E-9 6.001E-9 1.3419999999E-8 3E-8 6.7089999999E-8 1.5E-7 3.3539999999E-7 7.5009999999E-7 0.000001677 0.0000037499999999 0.0000083859999999 0.00001875 0.00004193 0.00009376 119-64-2 8404 144208991 A Ac Tetralin c1ccc2CCCCc2c1 Tox21_201793 -NCGC00015150-04 196722598 tox21-ror-cho-viability-p1 set3 4 33.4914596268 23.94206462 1.55793538 25.5 4.0949729863 0.6748873967 0.0503873179 1.45213403 4.12014384 -1.67331882 -7.03505385 0.24400379 1.91535196 1.66114522 -1.7204543 7.30481536 4.64599124 4.2055915 3.7755449 3.01078162 4.1484345 20.52365337 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 590-46-5 11545 170464844 F Betaine [Cl-].C[N+](C)(C)CC(=O)O Tox21_111373_1 -NCGC00015482-07 196722599 tox21-ror-cho-viability-p1 set3 4 1.03631179 3.91892752 0.12771782 3.58755541 2.6731601 -2.41957849 1.99566289 2.19868304 -2.75785682 4.11855584 9.61923122 5.63035047 7.12955968 -1.91415634 13.33415764 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 65-29-2 6172 170465398 F Gallamine triethiodide [I-].[I-].[I-].CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC Tox21_112040_1 -NCGC00090702-02 196728131 tox21-ror-cho-viability-p1 set3 4 3.0637858693 -7.3586960559 2.5 -4.8586960559 4.9549173134 0.6116678473 0.089280481 0 1.62832177 -0.0861254 5.49084879 -0.55731058 -1.71626749 7.17727646 3.84160961 5.63104416 5.70139827 -3.20337933 -6.13802508 -4.69660875 -6.54891338 -1.84751707 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00164449-04 196727692 tox21-ror-cho-viability-p1 set3 4 -8.14406107 0 -19.55783139 -12.1476884 0 0 -1.86318441 0 -0.41255518 0 0 -16.14134713 -7.3773308 -2.08596234 -6.02456143 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00256427-01 196727690 tox21-ror-cho-viability-p1 set3 4 4.60507596 3.56689848 0.26028327 0.82908909 6.27340716 3.87560082 7.80970162 0.74662878 0.86158039 6.64094668 -0.64227628 0.67665949 4.83205918 -0.64560932 -0.95255298 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-81-2 5280531 144213325 FNS Retinol palmitate CC=1CCCC(C)(C)C=1/C=CC(\C)=C\C=C\C(\C)=C\COC(=O)CCCCCCCCCCCCCCC Tox21_303008 -NCGC00091499-05 196727704 tox21-ror-cho-viability-p1 set3 4 2.24292949 2.16258691 0.7193716 0.56809064 -2.38666867 0.00004755 1.8513952 0.69174105 0.60325417 2.64844126 1.79888923 0.24157488 -2.41376847 -1.77805688 1.6096946 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00255721-01 196728530 tox21-ror-cho-viability-p1 set3 4 5.1136717791 -4.2325860559 1 -3.2325860559 4.9549173134 0.3412295531 0.3491034267 -2.195791 6.80103841 2.42721647 0.16156248 0.68059628 0.59609935 -1.6631996 -1.1655711 1.58478337 0.64062834 0.68416132 -4.36048838 -3.26055119 -1.44891403 -0.58035464 1.2319999999E-9 2.755E-9 6.161E-9 1.378E-8 3.0809999999E-8 6.8879999999E-8 1.54E-7 3.444E-7 7.7009999999E-7 0.000001722 0.000003851 0.0000086099999999 0.00001925 0.000043049999999 0.00009627 618-45-1 12059 144211875 A A 3-Isopropylphenol CC(C)c1cc(O)ccc1 Tox21_301558 -NCGC00256283-01 196728533 tox21-ror-cho-viability-p1 set3 4 1.96057523 2.81280357 -3.18307022 -1.815688 -2.89166368 -0.64623767 -7.14203846 5.51477086 -5.74619571 1.16617652 3.85215587 2.11373885 -1.24869575 3.72501844 2.5002774 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7473-98-5 81984 144211992 A A 2-Hydroxy-2-methylpropiophenone O=C(c1ccccc1)C(C)(C)O Tox21_301675 -NCGC00255282-01 196728543 tox21-ror-cho-viability-p1 set3 4 -0.37233219 6.49658956 -2.91861524 -0.31252747 -5.55554647 -3.14315516 -0.5484795 2.67895381 0.79656454 0.00801073 2.52729136 1.86941573 1.11209561 -1.53969338 -0.90964141 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2008-58-4 16183 144212239 A B 2,6-Dichlorobenzamide O=C(N)c1c(Cl)cccc1Cl Tox21_301922 -NCGC00255470-01 196728545 tox21-ror-cho-viability-p1 set3 4 -5.89680939 4.02073174 5.24528693 1.58015288 -0.70906211 -1.27595756 0.81399256 3.88848575 -0.25821627 1.67597325 6.791233 -5.77338761 2.2602117 -5.66410936 2.66446953 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60207-31-0 43233 144212169 A A Azaconazole Clc1cc(Cl)c(cc1)C2(OCCO2)Cn3cncn3 Tox21_301852 -NCGC00255345-01 196728951 tox21-ror-cho-viability-p1 set3 4 -1.84135193 -0.92985588 3.29927348 0.52433134 -9.89259708 -1.5706347 2.19163413 -5.6713708 -2.37172963 4.96861203 1.87564084 -4.68131885 9.39757906 3.9038479 4.64779913 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-47-6 5983 144211908 A A Physostigmine CNC(=O)Oc1cc2c(cc1)N(C)[C@H]3N(C)CC[C@@]23C Tox21_301591 -NCGC00255749-01 196728952 tox21-ror-cho-viability-p1 set3 4 30.6067041936 7.840719492 0.159280508 8 4.9549173134 0.5537279298 0.1511684075 -0.91703887 -1.95803219 1.13852327 0.20611207 0.49964473 -0.53333963 3.11948843 1.03787129 2.98388938 -1.16565007 1.84315459 -0.01232169 -2.78393291 8.57441908 1.97186289 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 657-84-1 3720192 144211697 A Sodium 4-methylbenzenesulfonate [Na+].Cc1ccc(cc1)S(=O)([O-])=O Tox21_301380 -NCGC00018221-08 196729373 tox21-ror-cho-viability-p1 set3 4 3.07116467 0.36859097 -0.22296762 -0.52855527 0.51961719 -0.79939307 2.54257256 -0.56581201 4.63338758 4.69137587 3.65507293 4.9402905 0.76108187 0.74697934 -3.98466927 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00258580-01 196729780 tox21-ror-cho-viability-p1 set3 4 0.03786376 0.1195991 0.18868541 0.28665332 3.03827398 3.53104995 2.58686016 2.45728616 3.57183586 4.47575417 2.20564841 0.12029333 5.95223053 2.54420757 1.18313932 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004133 0.000092409999999 121-47-1 8474 144208225 A B 3-Aminobenzenesulfonic acid Nc1cc(ccc1)S(O)(=O)=O Tox21_201027 -NCGC00260204-01 196711490 tox21-ror-cho-viability-p1 set2 4 0.0060819863 6 0.5 6.5 4.9549173134 0.4984135293 0.1823533849 0.41077148 0.31807593 3.2006092 7.43867218 3.39033544 5.97140231 7.23809998 9.22742204 7.34470773 5.75878254 3.53554342 4.31798569 4.4013343 12.14929946 6.88877422 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.569E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003672 0.0000082119999999 0.000018359999999 0.00004106 0.00009181 244193-48-4 11171853 144209854 A A 1-Methyl-3-propylimidazolium tetrafluoroborate C[n+]1ccn(CCC)c1.F[B-](F)(F)F Tox21_202656 -NCGC00255209-01 196710662 tox21-ror-cho-viability-p1 set2 -2.1 74.5361716118 -108.0683765485 0.406610842 -107.6617657065 3.6772481694 0.9891563778 1.3E-9 -2.35756343 4.66645111 2.90594617 2.47109306 2.53983087 -0.02886767 -2.87376359 -0.29735524 -0.10597496 3.12440535 -1.02937537 -2.57379742 -2.96257771 -16.78079353 -86.26744047 1.392E-9 3.113E-9 6.96E-9 1.556E-8 3.4799999999E-8 7.7819999999E-8 1.7399999999E-7 3.891E-7 8.6999999999E-7 0.000001945 0.00000435 0.000009727 0.00002175 0.000048639999999 0.00010879999999 8001-54-5 8753 144212382 C C Benzalkonium chloride [Cl-].C[N+](C)(Cc1ccccc1)CCCCCCCCCCCC Tox21_302065 -NCGC00015060-14 196711079 tox21-ror-cho-viability-p1 set2 4 68.1713220381 9.2154493479 -3.7154493479 5.5 4.9549173134 0.431515229 0.2451651493 -4.99025668 -1.5361035 -3.32956768 1.07240676 -3.55880941 -9.34620779 -1.5653073 -3.87189324 -5.47034023 -4.39403512 -2.42445827 -4.69254922 -3.75124849 -3.56632384 3.94797001 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00090686-07 196711091 tox21-ror-cho-viability-p1 set2 4 54.4826732819 12.29718202 -1.29718202 11 4.0449729863 0.7873356043 0.0105067491 -0.62995516 -1.58869457 -1.3017497 0.60765512 -0.14132586 -2.0862528 0.62569382 -1.15577774 -1.88996142 -5.66431835 -0.55009474 -1.73012006 -0.01599738 1.63442608 9.72554448 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00260366-01 196711492 tox21-ror-cho-viability-p1 set2 4 -5.26431938 0 -6.80419724 -8.69681755 -5.04692245 -2.52364465 -26.36139845 -20.46841939 -8.63389739 0 -12.05297975 -5.43814723 0 -22.92175043 -17.38015389 1.194E-9 2.6689999999E-9 5.969E-9 1.335E-8 2.9839999999E-8 6.6729999999E-8 1.4919999999E-7 3.337E-7 7.4609999999E-7 0.000001668 0.00000373 0.0000083409999999 0.00001865 0.00004171 0.00009326 2973-80-0 387179 144210018 Ac Ac Benzaldehyde,2-bromo-5-hydroxy- O=Cc1cc(O)ccc1Br Tox21_202820 -NCGC00260522-01 196711505 tox21-ror-cho-viability-p1 set2 4 2.37343347 5.88879407 2.76368248 5.21442181 3.78933648 5.81407251 3.51434236 5.14502592 5.94241549 -2.34914544 6.60203054 4.54035405 4.24437342 -2.74144751 -2.24818361 1.182E-9 2.6429999999E-9 5.91E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.304E-7 7.387E-7 0.0000016519999999 0.0000036939999999 0.000008259 0.000018469999999 0.000041299999999 0.00009234 1222-98-6 5377323 144210174 A B 4-Nitrochalcone O=[N+]([O-])c1ccc(cc1)\C=C\C(=O)c2ccccc2 Tox21_202976 -NCGC00357269-01 196711507 tox21-ror-cho-viability-p1 set2 4 -2.85433408 0.53056485 -0.51539102 -0.62960288 1.30082261 2.34206148 2.52800499 1.09298965 3.8439738 3.37500004 3.44377391 2.1882604 0.28814747 4.81338871 -5.4181954 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 565-80-0 11271 251919742 Fc 2,4-Dimethylpentan-3-one CC(C)C(=O)C(C)C Tox21_303876 -NCGC00163930-04 196711509 tox21-ror-cho-viability-p1 set2 4 0.0769588215 6.097934336 1.402065664 7.5 1.8851180601 0.736513934 0.0310859965 3.03658126 0.82544184 -0.91494528 2.5000773 4.11898095 1.29569635 7.3043643 9.56225741 7.07608809 7.49411906 5.94012505 6.08832007 7.95751326 6.37564326 3.07728944 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00260302-01 196711908 tox21-ror-cho-viability-p1 set2 4 4.5603122307 7.996051004 -5.996051004 2 3.5117481694 0.365261065 0.3062605426 -2.22035324 -1.35803672 -5.25441946 -11.79687744 -4.82010102 -9.92380832 -0.0108415 -7.58735137 -6.82911311 -3.08639643 -12.49670917 -4.13666386 -2.94846702 4.36434598 0.00422144 2.923E-10 6.537E-10 1.462E-9 3.268E-9 7.308E-9 1.634E-8 3.654E-8 8.171E-8 1.827E-7 4.086E-7 9.1349999999E-7 0.000002043 0.0000045679999999 0.00001021 0.000022839999999 10595-72-9 82751 144209953 Fns Di(tridecyl) thiodipropionate O=C(OCCCCCCCCCCCCC)CCSCCC(=O)OCCCCCCCCCCCCC Tox21_202755 -NCGC00254171-01 196699880 tox21-ror-cho-viability-p1 set1 -2.2 48.5577336745 -32.343825624 -5.624138084 -37.967963708 2.4063783767 0.9796673112 0.0338379817 -8.26491185 -13.28598571 -8.92066235 -13.36444959 -10.58782577 -1.77011507 -10.06140258 -6.95457673 -4.12046778 -9.26054919 -7.17072894 -5.01967028 -5.97403612 -18.68920182 -32.47330309 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139149-55-6 153939 144210537 A B SB202235 NC(=O)N(O)[C@@H]2COc1cc(ccc12)OCc3ccccc3 Tox21_300217 -NCGC00164127-03 196699471 tox21-ror-cho-viability-p1 set1 -2.1 61.130564862 -86.5592864922 -0.271129541 -86.8304160332 3.6272481694 0.9973119664 0 1.6276469 -1.71438201 0.55257333 -0.22578975 -1.35149495 -1.69440142 0.13392022 -0.22108968 -1.43005 -0.00296506 -1.29778563 -0.02539827 -0.98014952 -16.45258625 -71.08364851 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00257901-01 196701781 tox21-ror-cho-viability-p1 set1 4 0.0971810738 -8.827844484 -2 -10.827844484 0.6 0.4910050379 0.2045479693 -3.20931159 -7.82151655 1.39300018 -1.0588349 -8.74663256 -5.01190986 -10.154959 -4.27132827 -6.17883083 -12.35653707 -11.62794403 -10.25401937 -11.47314842 -8.93800419 -5.11635041 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9569999999E-8 6.613E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003697 0.000008266 0.00001848 0.00004133 0.000092409999999 628-94-4 12364 144207545 A A Adipamide O=C(N)CCCCC(N)=O Tox21_200347 -NCGC00255656-01 196701366 tox21-ror-cho-viability-p1 set1 4 43.2771256911 -18.820577956 0.5 -18.320577956 2.7202212143 0.8080635876 0.006735893 1.65587211 -2.26061998 -0.02490252 3.46878165 -2.39088706 1.58216601 1.86513654 0.08329151 0.64139711 5.48646769 -3.02298305 -1.10389835 1.2789767 -8.80005156 -16.10048163 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2463-84-5 17168 144212225 F F Dicapthon Clc1cc(ccc1OP(=S)(OC)OC)[N+]([O-])=O Tox21_301908 -NCGC00257788-01 196701774 tox21-ror-cho-viability-p1 set1 4 68.729149849 16.033939228 0.966060772 17 4.9549173134 0.6811965484 0.047491646 -2.52828269 0.05699282 -0.13079204 1.38834524 0.6465121 2.25559611 0.1407593 0.52634027 -2.17661128 1.59627875 -0.90631662 7.77356573 1.43291979 1.97694441 14.09893904 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.386E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 3173-53-3 18502 144207432 F Isocyanatocyclohexane O=C=N/C1CCCCC1 Tox21_200234 -NCGC00258466-01 196701777 tox21-ror-cho-viability-p1 set1 -2.1 60.3853254505 -96.5725850003 -2.133820846 -98.7064058463 3.9899729863 0.9664009132 9.213E-7 1.39604765 -0.63887479 -3.17951744 0.60764457 0.70126812 -0.42358231 -11.43269093 -3.00785078 3.22729494 -4.2510562 -4.45532355 1.13351546 -9.50150756 -18.13636601 -83.11091352 1.1679999999E-9 2.6129999999E-9 5.8419999999E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.461E-7 3.2659999999E-7 7.3029999999E-7 0.0000016329999999 0.0000036509999999 0.0000081649999999 0.00001826 0.00004082 0.00009129 8001-35-2 5284469 144208110 FNS Toxaphene ClC2(Cl)C1(Cl)C(Cl)C(Cl)C2(Cl)C(=C)C1(CCl)CCl Tox21_200912 -NCGC00257562-01 196701782 tox21-ror-cho-viability-p1 set1 4 69.2178691585 12.993179664 0.006820336 13 4.9549173134 0.4377150099 0.2372090205 -0.08258218 9.77587718 0.9241849 -3.20838466 -3.32764972 0.3145861 -1.48939909 1.30618624 0.21817855 -2.89986371 -0.39685788 1.29689005 -2.31816885 0.36140762 10.73002598 1.189E-9 2.6589999999E-9 5.9469999999E-9 1.3299999999E-8 2.973E-8 6.649E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.0000037169999999 0.0000083109999999 0.000018579999999 0.000041549999999 0.00009292 930-68-7 13594 144207206 A Ac 2-Cyclohexen-1-one O=C1C=CCCC1 Tox21_200008 -NCGC00258219-01 196702184 tox21-ror-cho-viability-p1 set1 4 0.9668839442 -10.5220719199 -2 -12.5220719199 0.7999999999 0.6264862713 0.0790884323 -5.64248748 2.47429519 -2.98570507 0.78298573 -5.09901155 -6.11669463 -2.34230621 -7.88451775 -0.29191505 -10.85528476 -12.10157183 -9.01996707 -13.3517266 -9.67025607 -12.69512568 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.945E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.000003681 0.00000823 0.000018399999999 0.00004115 0.000092019999999 302-22-7 9324 144207863 A A Chlormadinone acetate CC(=O)[C@@]3(OC(C)=O)CC[C@H]2[C@@H]4C=C(Cl)C1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_200665 -NCGC00260254-01 196723807 tox21-ror-cho-viability-p1 set3 4 -5.73548835 0.01827729 -1.50534452 1.14974388 0.46619326 2.6315597 -3.44130446 -0.93623163 -3.72325664 -3.22796368 -3.12680453 -1.69344928 1.33101755 -4.77255203 -2.45838344 1.171E-9 2.618E-9 5.854E-9 1.3089999999E-8 2.927E-8 6.545E-8 1.464E-7 3.2729999999E-7 7.3179999999E-7 0.0000016359999999 0.0000036589999999 0.000008182 0.00001829 0.000040909999999 0.000091469999999 893443-18-0 60196393 144209904 A A 1-Ethyl-1-methylpyrrolidinium trifluoromethanesulfonate C[N+]1(CC)CCCC1.FC(F)(F)S([O-])(=O)=O Tox21_202706 -NCGC00260365-01 196723785 tox21-ror-cho-viability-p1 set3 4 0.0172464565 7.287720144 -4.287720144 3 4.9549173134 0.7225670232 0.0292091489 -3.35595257 -6.07310012 -3.60945831 -2.65434693 2.99199515 0.34010585 2.86641471 3.60957777 1.6568414 8.69167614 2.27092438 2.70613846 2.09399247 0.78159943 4.0591488 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.00009229 2892-51-5 17913 144210017 A A 3-Cyclobutene-1,2-dione,3,4-dihydroxy- OC1=C(O)C(=O)C1=O Tox21_202819 -NCGC00163953-03 196723796 tox21-ror-cho-viability-p1 set3 -3 72.7253077472 -44.576854571 -2.106162388 -46.683016959 4.9549173134 0.8175521211 0.0053789947 -11.33023641 -8.14684751 -9.08391541 -4.33124931 -0.20349027 2.82113423 1.38576747 0.38305502 0.89459825 2.74559974 0.34843407 -1.72192214 -1.24958668 -2.31724117 -38.24048965 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.000019359999999 0.00004328 0.000096779999999 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00357190-01 196723799 tox21-ror-cho-viability-p1 set3 -1.1 0.968854161 -96.8471551771 -1.0503351198 -97.8974902969 3.0654483358 0.9887481781 1.7E-9 -3.95124799 3.17617154 4.31592938 2.28475134 -6.03067547 -1.47268655 -3.39828973 -8.61457446 -25.16093218 -93.68915063 -96.75776544 -93.53795408 -93.71492142 -92.96109432 -100.71758261 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 329-89-5 9500 251919836 A 6-Aminonicotinamide O=C(N)c1cnc(N)cc1 Tox21_303956 -NCGC00164520-02 196697632 tox21-ror-cho-viability-p1 set1 4 -2.69476004 -0.71102575 -3.18937296 0.06702786 -3.7853749 -1.69451366 -3.01865963 0.17778332 -2.96603618 -1.30390404 -3.12727122 0.91618312 -1.45194681 0.32860169 -0.2428036 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 72-19-5 6288 170465476 Z L-Threonine O=C(O)[C@@H](N)[C@@H](C)O Tox21_112154_1 -NCGC00091657-02 196698061 tox21-ror-cho-viability-p1 set1 4 -2.7111265 2.04137221 3.12130794 1.12335603 1.30309687 4.13383699 4.74332311 3.75687651 3.4699894 -0.00136589 -3.14163249 0.60602809 1.46758096 0.6219189 1.4898073 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00357006-01 196724599 tox21-ror-cho-viability-p1 set3 4 3.70160858 -3.65171354 0.33019197 3.22021213 -1.87887398 4.01143938 -5.83745845 3.1828146 4.41666602 0.35418916 4.93711028 0.45403144 -0.62948675 3.53482599 5.94715163 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 10147-40-7 66280 251919797 F Dodecane-1-sulfonyl chloride ClS(=O)(=O)CCCCCCCCCCCC Tox21_303760 -NCGC00260582-01 196703823 tox21-ror-cho-viability-p1 set1 4 0.27810409 -2.37378391 1.61264645 0.22878354 -7.4625308 -1.55351517 3.61360709 -5.01013337 -1.5157903 -4.28700605 1.26911969 -1.76304029 -4.74509874 0.56315503 4.35793085 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49478 144210235 M M NTP Mix42 CT1 3-EQP Tox21_203037 -NCGC00260137-01 196703824 tox21-ror-cho-viability-p1 set1 -2.1 27.6728538861 -120.2874162844 0.0436075049 -120.2438087795 0.6 0.8484190902 0.0023567673 2.80217716 -0.34732069 -8.56831176 8.47013042 -0.66919294 -1.7948948 -0.01912675 -6.16560297 -8.995934 -20.23549153 -25.5399496 -34.73799469 -34.45261315 -31.96708795 -91.09379453 6.0959999999E-10 1.363E-9 3.048E-9 6.816E-9 1.524E-8 3.408E-8 7.62E-8 1.704E-7 3.81E-7 8.52E-7 0.000001905 0.00000426 0.000009525 0.0000213 0.00004763 14484-64-1 26710 144209787 Ferbam [Fe+3].S=C([S-])N(C)C.CN(C)C([S-])=S.CN(C)C([S-])=S Tox21_202589 -NCGC00260061-01 196703825 tox21-ror-cho-viability-p1 set1 4 2.73512507 0.47143685 1.43311209 6.0463535 0.41805821 0.73707871 -6.53702466 1.2839513 0.28036944 0.55576876 6.53680914 0.03856421 0.10187071 -0.03868217 -0.15443538 1.185E-9 2.6499999999E-9 5.9249999999E-9 1.325E-8 2.9629999999E-8 6.625E-8 1.481E-7 3.312E-7 7.406E-7 0.000001656 0.0000037029999999 0.000008281 0.00001852 0.0000414 0.00009258 141-78-6 8857 144209710 F Ethyl acetate CC(=O)OCC Tox21_202512 -NCGC00178737-05 196697455 tox21-ror-cho-viability-p1 set1 -2.4 33.4914596268 -27.352730408 -1 -28.352730408 4.9549173134 0.9587448068 0.0000029384 -0.59986058 -1.44163339 -0.72345439 -2.32063229 0.10573501 -0.34508847 -3.14972222 -0.20567593 1.01854008 0.76904342 -2.63362044 -1.02453453 0.28630704 -3.6864526 -23.62727534 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4330-99-8 6604495 170465278 A Trimeprazine tartrate O=C(O)[C@H](O)[C@H](O)C(=O)O.CN(C)C[C@H](C)CN1c3ccccc3Sc2ccccc12.CN(C)C[C@H](C)CN1c3ccccc3Sc2ccccc12 Tox21_110755_1 -NCGC00017358-15 196697471 tox21-ror-cho-viability-p1 set1 -1.2 0.0943917582 -38.3722012479 10.5 -27.8722012479 0.4 0.9022489404 0.0002874899 0.7651438 5.04611965 8.32736465 0.13122136 2.72503713 -5.63306589 -12.97543303 -15.49668029 -11.09959077 -17.26070279 -16.73146491 -18.49000052 -20.41083139 -22.67295705 -29.89350104 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83-79-4 6758 170466816 B Rotenone C=C(C)[C@@H]2Oc3ccc1C(=O)[C@H]4c5cc(OC)c(OC)cc5OC[C@H]4Oc1c3C2 Tox21_110819_1 -NCGC00260047-01 196724591 tox21-ror-cho-viability-p1 set3 4 68.3107079272 16.26591744 -0.76591744 15.5 4.9549173134 0.5989640955 0.0983506016 -4.8049312 -4.33477709 -0.29942674 -3.4080439 0.63889104 -4.55719947 3.01781041 -0.26882807 -0.09210316 1.72371276 1.31085518 3.63036694 1.52862109 -1.45319737 12.62940251 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 1066-30-4 14012 144209696 Ac Chromium(III) acetate [Cr+3].O=C([O-])C.[O-]C(C)=O.[O-]C(C)=O Tox21_202498 -NCGC00260605-01 196724600 tox21-ror-cho-viability-p1 set3 4 0.0094391758 20.1370440519 -12.1370440519 8 0.6 0.6027780619 0.0948644987 -9.69753671 -8.06414442 -2.18746816 -5.80331307 -0.8712759 2.45446787 2.65051626 3.34487038 0.89059063 21.12164894 5.23570618 4.9870183 6.69281136 0.99784071 13.23152238 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49501 144210258 M M NTP Mix8 AR1 8-EQC Tox21_203060 -NCGC00260495-01 196724604 tox21-ror-cho-viability-p1 set3 4 0.5487074576 -6.6056374479 4 -2.6056374479 4.9549173134 0.6602328876 0.0587227881 -2.67274296 2.18167157 3.42240251 5.06737589 5.81751866 6.45440331 7.50768411 3.57376562 -1.7878374 -2.23718356 -0.37136911 -3.38110371 -1.99528801 -4.67136454 -4.21618959 1.187E-9 2.6549999999E-9 5.937E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 90-44-8 7018 144210147 F I Anthrone O=C1c3ccccc3Cc2ccccc12 Tox21_202949 -NCGC00260565-01 196724606 tox21-ror-cho-viability-p1 set3 4 0.1059092946 8.9190044879 -5.9190044879 3 4.9549173134 0.5672543549 0.1218667626 -12.43250374 0.28182053 -1.7126983 -10.20649704 -7.00014208 -2.08520454 -5.63223464 2.92682793 0.87694691 2.29014816 4.13403171 6.30618037 -2.5514083 1.75260408 6.24667787 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49461 144210218 M M NTP Mix73 CT1 62-EQP Tox21_203020 -NCGC00253576-01 196725007 tox21-ror-cho-viability-p1 set3 4 3.06337614 4.59768325 -1.63949449 3.77882223 3.51715519 2.1012826 2.10775356 3.43620287 18.2125534 6.00092149 5.17899377 0.55679948 6.86772695 -0.18430751 8.71301929 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123013-22-9 135410 170465753 A A Amelometasone COCC(=O)[C@]3(OC(=O)CC)[C@@]4(C)C[C@H](O)C2(F)[C@@H](CCC1=CC(=O)C=C[C@@]12C)[C@@H]4C[C@@H]3C Tox21_113719 -NCGC00015883-11 196725010 tox21-ror-cho-viability-p1 set3 4 -0.12331874 -9.62927671 6.33622103 -0.71128135 -2.19479325 -1.83355183 -1.07339006 -3.22790237 -10.20936056 -9.30921535 -6.78966293 -1.0264593 -4.18618458 -5.16583276 -5.56834832 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 106266-06-2 5073 170464925 A Risperidone CC=5N=C1CCCCN1C(=O)C=5CCN2CCC(CC2)c4noc3cc(F)ccc34 Tox21_110253_1 -NCGC00254422-01 196714333 tox21-ror-cho-viability-p1 set2 4 1.04511187 0.09079304 2.57565934 2.03234423 0.74474629 3.68572188 2.91939512 2.73807958 3.30706698 1.74473419 3.19282636 4.94153942 4.83817633 4.82265741 4.91589632 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-57-8 7245 144210658 AC Ac 2-Chlorophenol Oc1ccccc1Cl Tox21_300340 -NCGC00255025-01 196713929 tox21-ror-cho-viability-p1 set2 4 0.7854048 1.95368881 1.99666893 3.44190015 1.71399841 0.27904253 3.66423643 -0.82670604 3.06051429 1.10223273 1.06479521 3.93291139 3.9039944 2.0485041 3.53340556 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-86-5 7462 144211443 FNS alpha-Terpinene CC(C)C1=CC=C(C)CC1 Tox21_301126 -NCGC00254931-01 196714324 tox21-ror-cho-viability-p1 set2 4 -0.13851741 0.11520621 2.53896561 -1.62920448 0.75378844 0.43598286 0.76608755 0.27351952 -6.79647545 -6.77139031 -3.95315813 -0.12221393 -5.36211703 -4.16279875 -6.56036595 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 122008-85-9 180089 144211346 A A Cyhalofop-butyl O=C(OCCCC)[C@@H](C)Oc1ccc(cc1)Oc2ccc(cc2F)C#N Tox21_301029 -NCGC00254862-01 196714354 tox21-ror-cho-viability-p1 set2 -1.1 6.1130564862 -77.6658413602 -1.847756084 -79.5135974442 1.372261 0.9853937654 7.6E-9 0.83405431 -0.64253133 -0.26186716 -0.20083656 -2.44319474 -8.03121434 -4.58591443 -7.62800254 -2.8889554 -8.16582616 -30.47710506 -52.2516169 -59.40563853 -77.64350653 -77.21730716 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1085-98-9 14145 144211277 A A Dichlofluanid CN(C)S(=O)(=O)N(SC(Cl)(Cl)F)c1ccccc1 Tox21_300960 -NCGC00164168-02 196713934 tox21-ror-cho-viability-p1 set2 4 20.3777247614 -8.863748088 0 -8.863748088 4.9549173134 0.4904477422 0.2059199318 0.17836995 -0.32833659 1.87005818 1.65862618 0.17073554 1.81964412 0.02219102 -5.50866992 1.95968222 -0.01011115 -5.55745428 2.63847313 -4.38089175 -8.63645674 -1.58421708 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00254106-01 196713941 tox21-ror-cho-viability-p1 set2 4 -1.33227507 0.72971858 -1.6548811 1.91844841 -1.37146815 0.82952643 -0.29386854 0.71524554 -0.55035566 0.53113196 3.30600923 3.07814465 2.46607205 -0.91347863 -0.86163362 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2687-25-4 17593 144210412 C Cc 2,3-Diaminotoluene Cc1cccc(N)c1N Tox21_300092 -NCGC00254318-01 196713953 tox21-ror-cho-viability-p1 set2 4 -3.89005183 -2.73388864 -2.46391998 -1.41419665 -4.01016517 -18.12889621 -9.59116708 -2.32757236 1.18382407 -5.88153803 -3.85310493 -2.35551647 0.92643305 -2.80346053 -1.45415572 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68515-49-1 33599 144210848 A F 1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C Tox21_300530 -NCGC00254130-01 196714368 tox21-ror-cho-viability-p1 set2 4 73.4505469136 -10.45793284 1 -9.45793284 4.9549173134 0.7238971065 0.0295069134 2.31373623 0.14125649 3.23804077 0.11278995 -0.79141035 1.31215352 2.26982785 0.75047215 0.08437558 1.79928961 0.08381797 0.55124977 3.42461717 0.81238187 -6.6316107 1.135E-9 2.5379999999E-9 5.674E-9 1.269E-8 2.837E-8 6.3439999999E-8 1.419E-7 3.1719999999E-7 7.093E-7 0.000001586 0.000003547 0.0000079299999999 0.000017729999999 0.000039649999999 0.00008866 1061517-62-1 44578765 144210584 A A PharmaGSID_47337 [Na+].O=C(c2cn(c1cccc(OCC)c1)c(n2)c3ccc(C)cc3)N4CCN(CC4)c6cc5ccccc5c(c6)C([O-])=O Tox21_300264 -NCGC00254092-01 196714768 tox21-ror-cho-viability-p1 set2 4 -1.08800133 0.51873908 0.04455777 1.68660548 0.09211257 0.63424414 -0.1421626 2.01614339 0.13671387 0.67289459 0.06618876 2.05732806 5.10195721 1.83413358 0.82151595 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-64-5 323 144210377 A A Coumarin O=C1C=Cc2ccccc2O1 Tox21_300057 -NCGC00090780-04 196714765 tox21-ror-cho-viability-p1 set2 4 -1.35719063 -1.3650732 1.03446762 -0.77404316 -1.13737646 -0.49447833 0.78785915 -1.32945984 0.37610001 1.78681868 0.29072643 6.44247818 7.04236686 1.33453892 0.54615956 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00254630-01 196715184 tox21-ror-cho-viability-p1 set2 4 0.47748717 -0.56310667 0.63729603 -4.48572277 0.84158907 -3.11028055 -9.62523708 -4.47700299 -4.96912852 -2.88107099 -2.0830945 0.77428494 -4.96374659 0.6420367 -0.36445771 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.938E-8 6.568E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.000041049999999 0.0000918 105512-06-9 92431 144211041 A A Clodinafop-propargyl O=C(OCC#C)[C@@H](C)Oc1ccc(cc1)Oc2ncc(Cl)cc2F Tox21_300724 -NCGC00090987-03 196715193 tox21-ror-cho-viability-p1 set2 4 -1.53111683 0.38541092 -3.3351314 -1.34918267 -1.63808594 1.00274822 0.16458118 -0.07476459 0.12682752 4.69526117 2.01454887 3.11141036 1.6904914 -1.68221283 -8.33555216 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00254175-01 196715202 tox21-ror-cho-viability-p1 set2 4 1.39351573 -0.83454663 -1.27652588 1.89628029 -0.26092998 -0.82349529 0.85463242 -4.11840606 1.89256523 -0.87893842 1.0089144 -1.91746785 -1.66695571 0.54329799 -0.04586837 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-52-4 7095 144210487 A Ac Biphenyl c1cc(ccc1)c2ccccc2 Tox21_300167 -NCGC00092388-05 196726149 tox21-ror-cho-viability-p1 set3 4 2.6603212004 9.5445231799 -2.0445231799 7.5 4.9549173134 0.4493609527 0.2249614796 3.81744292 -1.07344389 -2.93404583 0 -7.99729585 -0.73944461 -8.17453382 -4.78640909 9.34077313 -8.78710265 -2.3061129 9.1160893 3.8154255 9.77553723 7.20956844 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 546-06-5 441082 170466139 Ac Conessine CN(C)[C@@H]4CC5=CC[C@@H]1[C@H](CC[C@@]23CN(C)[C@@H](C)[C@H]3CC[C@@H]12)[C@@]5(C)CC4 Tox21_111531_1 -NCGC00095978-06 196726131 tox21-ror-cho-viability-p1 set3 4 4.60751608 -0.14855767 -0.02923373 4.59410124 0.52527954 3.44496188 2.84568432 9.57211455 5.62752543 3.4914895 -0.94758488 2.21229163 3.77595791 5.73774099 1.90657485 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103055-07-8 71777 170465736 Z Lufenuron Clc2cc(NC(=O)NC(=O)c1c(F)cccc1F)c(Cl)cc2OC(F)(F)C(F)C(F)(F)F Tox21_111542_1 -NCGC00253662-01 196726133 tox21-ror-cho-viability-p1 set3 4 -1.75718784 -3.407679 6.49205665 -0.89004859 -1.98078045 -2.70182778 -2.53986088 -0.64596189 -1.70178698 -3.63121527 -0.51296944 -0.75185277 -2.99772864 -0.9233634 1.29578396 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 40172-95-0 550206 170466675 F F 1-(2-Furoyl)piperazine O=C(N1CCNCC1)c2ccco2 Tox21_113787 -NCGC00093362-05 196726142 tox21-ror-cho-viability-p1 set3 4 0.0530803864 9.5392993919 -1.0392993919 8.5 4.9549173134 0.4638465841 0.2113956943 -0.72826357 -1.69941616 -0.17948453 -0.30790792 -0.91024574 -1.05787631 6.81572238 13.89055592 12.80537604 -0.44444688 -1.01406453 5.79853694 6.04128989 11.07746822 18.11615316 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54856-23-4 6420033 170465694 Z Betahistine mesylate CS(=O)(=O)O.CNCCc1ccccn1 Tox21_110786_1 -NCGC00256571-01 196726547 tox21-ror-cho-viability-p1 set3 4 3.2579488 2.50768106 0.64543448 1.38302977 1.59236237 -0.54168472 -0.34940329 3.32182012 -1.00485612 -0.07277198 1.98301226 -0.38784625 -0.36180964 1.25523943 0.08356153 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 115-02-6 5284344 144213209 Fns Azaserine OC(=O)[C@@H](N)COC(=O)/C=[N+]=[N-] Tox21_302892 -NCGC00257321-01 196726551 tox21-ror-cho-viability-p1 set3 4 4.2718644 0.55956228 0.34649404 0.41992434 0.87040809 -0.86544716 -2.46524974 -14.15961887 -25.85394145 -1.36398663 -3.35905601 0.89427085 0.40061009 3.76840798 5.27229204 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135-76-2 23667648 144213847 A A Sodium 6-hydroxynaphthalene-2-sulfonate [Na+].[O-]S(=O)(=O)c1ccc2cc(O)ccc2c1 Tox21_303541 -NCGC00256887-01 196726564 tox21-ror-cho-viability-p1 set3 4 -2.21613737 -0.613684 -1.46588801 7.34819726 -2.35882559 -3.32825574 -1.57710845 -0.9868468 -0.0891243 -1.91489361 -3.26251474 -7.2949563 -0.77407267 -1.48597338 1.93231764 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 31375-17-4 35785 144213934 Ac Fns 1-(5-Isopropyl-2-methyl-cyclohex-2-enyl)-propan-1-one CC(C)C1CC=C(C)C(C1)C(=O)CC Tox21_303629 -NCGC00256906-01 196726960 tox21-ror-cho-viability-p1 set3 4 24.3365162115 8.2724565439 -1.7724565439 6.5 4.0949729863 0.467389807 0.209483729 5.33390827 0.45575936 1.25276414 -4.50762108 -1.89038889 -1.58650572 -5.01535757 -2.58155723 -5.72496241 -1.42229323 -6.47704712 -1.30654749 0.23341208 5.09662051 6.58882482 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5435-64-3 21574 144213018 F 3,5,5-Trimethylhexanal CC(C)(C)CC(C)CC=O Tox21_302701 -NCGC00257134-01 196726963 tox21-ror-cho-viability-p1 set3 4 -0.60195701 -3.00366604 -4.96076621 -3.85963504 -2.57099176 -0.53249459 -3.51595961 -0.35067106 0.11606727 2.36396692 0.50047765 2.05346667 0.78121355 0.93881942 -0.30368771 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-70-1 6819 144213593 A A Butylphthalyl butylglycolate O=C(OCCCC)COC(=O)c1ccccc1C(=O)OCCCC Tox21_303276 -NCGC00257028-01 196726967 tox21-ror-cho-viability-p1 set3 4 6.79883194 -0.2252863 1.80327971 2.00452034 4.01614306 5.70743991 4.09403847 6.36950474 2.8239827 1.78310681 -13.29328925 5.70808019 1.10203021 4.30050088 0.16611311 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 3089-11-0 62479 144213450 D N,N,N',N',N'',N''-Hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine COCN(COC)c1nc(nc(n1)N(COC)COC)N(COC)COC Tox21_303133 -NCGC00257041-01 196707099 tox21-ror-cho-viability-p1 set1 -1.1 30.6378586933 -71.2566651103 -5.163796075 -76.4204611853 4.9549173134 0.943150583 0.0000168872 0.4719397 -8.4596103 1.71593998 -0.54175751 -0.37259795 -3.21675934 0.33938457 -3.66790923 -12.4309145 -14.92485358 -9.96354509 -12.86358521 -5.21061411 -68.64567734 -74.92202077 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1918-16-7 4931 144213353 A B Propachlor CC(C)N(C(=O)CCl)c1ccccc1 Tox21_303036 -NCGC00256458-01 196707110 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -37.722437824 0.5 -37.222437824 4.5044702849 0.8904187191 0.0005083321 -0.34513424 0.05537544 0.14458041 -3.28499236 6.20536728 3.35698994 1.4968397 1.97969003 -1.56912268 -2.04509795 4.18818136 -1.99938235 -3.01447762 -2.9607121 -29.35203152 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 491-80-5 5280373 144213218 A A Biochanin A COc1ccc(cc1)C3=COc2cc(O)cc(O)c2C3=O Tox21_302901 -NCGC00259441-01 196706703 tox21-ror-cho-viability-p1 set1 4 0.6879893154 14.519024636 -14.519024636 0 0.8999999999 0.7812192228 0.0115442005 -16.25573512 -8.52011518 -16.24212265 -13.12160065 -17.93252053 -12.24458285 -10.25814533 -11.01171579 -8.25697585 0 -3.65228401 -6.63586606 0.32223607 -2.32953829 3.51905632 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004132 0.0000924 67-47-0 237332 144209090 A A 5-(Hydroxymethyl)-2-furfural O=Cc1ccc(CO)o1 Tox21_201892 -NCGC00256326-01 196707096 tox21-ror-cho-viability-p1 set1 4 -4.12500852 0.04596923 -4.79946412 -2.88803898 -7.19676487 -5.57159993 1.62471864 -1.5865658 -2.30208818 -2.33019165 0.80088667 1.4297668 0.16040311 0.69919414 -2.42246844 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 20265-97-8 2734956 144213226 A A 4-Methoxyaniline hydrochloride Cl.Nc1ccc(OC)cc1 Tox21_302909 -NCGC00256557-01 196707115 tox21-ror-cho-viability-p1 set1 4 2.38793065 0.32280233 -0.59658981 0.08606682 -0.56778242 0.63486928 2.45215692 0.26364919 -1.44229486 1.66642935 2.89840452 3.9489791 0.8188677 3.47994253 6.68039808 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-24-2 7290 144213276 A A 3-Chloro-1,2-propanediol OCC(O)CCl Tox21_302959 -NCGC00257059-01 196707521 tox21-ror-cho-viability-p1 set1 4 0.5033017 -14.36579081 -10.37337681 -4.890899 -4.74472549 2.86403987 -0.61150899 -12.63361523 -18.40867364 -6.76122115 -6.01547711 -0.49302911 0.24622975 -4.31892256 8.85545164 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-90-5 8906 144213633 A Fns Dodecyl 2-methylacrylate C=C(C)C(=O)OCCCCCCCCCCCC Tox21_303316 -NCGC00256836-01 196707524 tox21-ror-cho-viability-p1 set1 4 61.130564862 13.1291878721 0.8708121279 14 0.5 0.3924220547 0.2812579194 5.79829926 -0.66714946 -1.35765656 -0.47957225 -1.14681558 0.04208217 3.53884516 5.12293074 5.33202852 0.21760997 0.98231276 2.10310067 10.55975141 4.37576774 8.4088444 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-79-2 6553885 144212846 A A Isopulegol CC(=C)[C@@H]1CC[C@@H](C)C[C@@H]1O Tox21_302529 -NCGC00256704-01 196707529 tox21-ror-cho-viability-p1 set1 4 -11.86501157 -11.46326919 -0.40874292 -11.3407809 -3.66349813 -2.13791735 -1.96469116 -11.81900197 -9.0093965 -15.36555343 -11.26746079 -8.39823466 -9.32217056 -5.83216196 -4.74030155 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23747-48-0 32065 144212839 C Fns 5H-5-Methyl-6,7-dihydrocyclopenta[b]pyrazine CC2CCc1nccnc12 Tox21_302522 -NCGC00257280-01 196707531 tox21-ror-cho-viability-p1 set1 4 -9.63959075 -19.28816714 -5.89177336 -8.70243412 -2.84567299 -6.92550624 -16.71245219 -17.99241333 -20.11519301 -8.06427488 -15.81002134 -19.35647189 -9.37670286 2.12064023 -9.83535166 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 79098-20-7 2757748 144213783 A Ac 4-Chloropentylbenzene Clc1ccc(CCCCC)cc1 Tox21_303473 -NCGC00257348-01 196707938 tox21-ror-cho-viability-p1 set1 4 -4.77267456 -9.31239604 3.16190393 3.23003799 4.17810397 2.36749695 -2.42631736 -10.67041292 1.06965966 1.6825955 -14.96001148 1.57066188 5.39623274 2.51245435 4.40631414 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4130-42-1 20087 144213709 A F 2,6-Di-tert-butyl-4-ethylphenol CC(C)(C)c1cc(cc(c1O)C(C)(C)C)CC Tox21_303397 -NCGC00257397-01 196707951 tox21-ror-cho-viability-p1 set1 -2.1 48.5577336745 -74.3034400507 1.8295153339 -72.4739247168 2.7867712143 0.9895440563 1.1E-9 0.65461647 0.31079498 4.98217642 1.83671095 1.36459209 3.6525533 -2.58089242 0.18186713 3.04686023 1.22610769 3.3057742 2.45385507 -2.70294735 -27.3691502 -61.72267024 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 199584-38-8 3420996 144213698 Ac F 1-Methoxy-4-tert-pentylcyclohexane COC1CCC(CC1)C(C)(C)CC Tox21_303386 -NCGC00256664-01 196708364 tox21-ror-cho-viability-p1 set1 4 61.130564862 19.07225498 -1.07225498 18 2.6384283767 0.8008037634 0.0079210023 -0.41572344 0.87788905 1.18362761 -4.22687915 -2.70849112 -2.98160187 -1.1046166 -1.1360426 -2.35285497 1.03645659 1.23000894 -3.94732281 1.82120644 3.03095423 13.4672354 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 344-04-7 9578 144212824 Bromopentafluorobenzene Fc1c(F)c(F)c(F)c(Br)c1F Tox21_302507 -NCGC00259122-01 196708761 tox21-ror-cho-viability-p1 set2 4 -4.40838581 -4.46994823 -3.99223497 -4.31651439 -1.98665458 -1.30219318 -2.49433959 -1.72680269 -3.42414508 -2.04261459 -1.75855327 -0.00440619 -3.07169707 -13.58295481 1.82015406 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.000003688 0.000008248 0.00001844 0.00004124 0.000092209999999 97-85-8 7351 144208771 FNS Isobutyl isobutyrate CC(C)C(=O)OCC(C)C Tox21_201573 -NCGC00256366-01 196718852 tox21-ror-cho-viability-p1 set2 4 61.130564862 -18.308598124 -1 -19.308598124 1.4641 0.7495830407 0.0198389603 -2.11731966 1.90267114 -3.84885492 -1.87330055 -0.80494076 -2.27629111 0.66831231 0.31576476 0.87721462 0.19319217 -2.72815719 0.48797591 -7.44672943 -5.01544478 -14.42383177 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 95-33-0 7232 144213241 A F N-Cyclohexyl-2-benzothiazolesulfenamide c1cccc2sc(nc12)SNC3CCCCC3 Tox21_302924 -NCGC00256344-01 196718435 tox21-ror-cho-viability-p1 set2 4 -1.26525684 -1.95518539 -4.62976799 -1.70857054 -2.04505027 -0.06138262 -9.73163657 -0.51151066 0.36985666 -3.40953386 -1.61414313 -3.8755171 -0.83328037 -3.51403874 -9.45695309 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 103-76-4 7677 144213198 A Fns 1-Piperazineethanol OCCN1CCNCC1 Tox21_302881 -NCGC00256877-01 196718439 tox21-ror-cho-viability-p1 set2 4 0.96573925 0.78216501 1.1026894 0.29094537 2.22302643 6.07707239 0.65520187 5.62331116 4.59511643 2.66898567 5.54220694 3.5556239 0.25062979 3.64514338 4.73027874 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1076-56-8 14104 144212892 A Ac 2-Methoxy-4-methyl-1-(propan-2-yl)benzene COc1cc(C)ccc1C(C)C Tox21_302575 -NCGC00091146-04 196718452 tox21-ror-cho-viability-p1 set2 4 0.0172289341 -4.9005672839 1 -3.9005672839 4.5044702849 0.3464626826 0.3258690778 0.1996413 0.25980178 2.49510052 -0.37166784 -3.37097252 -3.87146081 -6.0299847 -5.70511711 3.39427532 -1.49089687 -7.22406614 -0.1190473 -4.09374492 -5.39550688 -7.83380607 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00256700-01 196718853 tox21-ror-cho-viability-p1 set2 4 1.34801683 -4.99180881 -1.25827257 1.90829599 -2.56349223 -1.84673336 1.77124585 -2.81921054 -0.0831377 -4.51342785 -2.89279779 -4.85631486 -6.64653084 -2.46218847 -1.79735336 7.7859999999E-10 1.7409999999E-9 3.893E-9 8.705E-9 1.947E-8 4.353E-8 9.733E-8 2.176E-7 4.8659999999E-7 0.000001088 0.000002433 0.0000054409999999 0.000012169999999 0.000027199999999 0.00006083 85446-17-9 6537506 144212770 D 1,1'-Oxybis(2,3,4,5-tetrabromobenzene) Brc1c(cc(Br)c(Br)c1Br)Oc2cc(Br)c(Br)c(Br)c2Br Tox21_302453 -NCGC00257506-01 196718854 tox21-ror-cho-viability-p1 set2 4 -0.41971312 -1.09207925 2.153473 6.36825744 -0.1392345 3.49934763 -0.2232878 7.47526994 0.60906754 0.40163023 5.02252234 -0.47460796 2.1144225 2.53280285 2.89218053 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-70-6 8129 144213780 B A 1-Heptanol CCCCCCCO Tox21_303470 -NCGC00257511-01 196718856 tox21-ror-cho-viability-p1 set2 4 14.56722516 -12.652160236 1 -11.652160236 2.0478617061 0.8341506022 0.0035808997 0.22224663 -2.24603506 -1.13179282 0.50876934 4.63726941 4.24574474 0.71983242 0.46389537 3.20906887 -0.00278567 2.63753347 -2.22104859 -6.27064885 -8.95035273 -12.21013353 1.026E-9 2.295E-9 5.132E-9 1.148E-8 2.5659999999E-8 5.7379999999E-8 1.283E-7 2.8689999999E-7 6.4149999999E-7 0.000001434 0.0000032069999999 0.0000071719999999 0.00001604 0.00003586 0.000080189999999 10161-33-8 25015 144213956 A A 17beta-Trenbolone O=C3C=C4CC[C@@H]1C(C=C[C@]2(C)[C@@H](O)CC[C@@H]12)=C4CC3 Tox21_303654 -NCGC00257341-01 196718866 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -16.568252568 -1 -17.568252568 4.9549173134 0.3759198974 0.2956092668 1.88513331 -13.80687714 -0.77324796 1.71250682 -0.75648189 -3.8661186 2.67191845 -1.77956853 -0.75302446 -2.87816099 -1.00330239 3.97621152 -0.84685895 0.02519938 -13.53362759 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17696-62-7 87250 144213894 A A Phenylparaben O=C(Oc1ccccc1)c2ccc(O)cc2 Tox21_303589 -NCGC00257594-01 196715976 tox21-ror-cho-viability-p1 set2 4 -1.97571938 -3.94686612 -17.96834261 -1.25812801 1.8689767 -1.58267134 -3.28218741 -0.683491 -3.51502634 0.09853432 0.61295238 -10.14443765 -2.94689981 -3.03024185 2.33016016 1.206E-9 2.6979999999E-9 6.032E-9 1.349E-8 3.016E-8 6.744E-8 1.5079999999E-7 3.372E-7 7.54E-7 0.0000016859999999 0.00000377 0.0000084299999999 0.00001885 0.000042149999999 0.00009425 6287-38-3 22710 144207238 A B 3,4-Dichlorobenzaldehyde Clc1ccc(C=O)cc1Cl Tox21_200040 -NCGC00257912-01 196715550 tox21-ror-cho-viability-p1 set2 4 -1.87421287 -1.55930093 -0.65101396 -0.02104235 -1.38238426 0.62273833 -1.12928495 -0.55455401 -2.37683397 -1.87529283 0.61838095 -2.03088105 -0.27042928 0.23541868 6.30342791 1.2379999999E-9 2.768E-9 6.189E-9 1.3839999999E-8 3.0949999999E-8 6.92E-8 1.547E-7 3.4599999999E-7 7.7359999999E-7 0.00000173 0.000003868 0.00000865 0.000019339999999 0.00004325 0.000096709999999 75-83-2 6403 144207556 FNS 2,2-Dimethylbutane CC(C)(C)CC Tox21_200358 -NCGC00258469-01 196715972 tox21-ror-cho-viability-p1 set2 4 0.03664038 -0.75733281 -0.65758319 0.46921356 0.92390097 0.86398195 4.81065793 5.75367807 4.18913928 1.16146994 1.28305725 0.88418068 0.88968365 5.33521922 5.52211204 1.211E-9 2.709E-9 6.0569999999E-9 1.3539999999E-8 3.028E-8 6.772E-8 1.514E-7 3.386E-7 7.5709999999E-7 0.000001693 0.0000037849999999 0.000008464 0.00001893 0.00004232 0.00009464 88-99-3 1017 144208113 A A Phthalic acid OC(=O)c1ccccc1C(=O)O Tox21_200915 -NCGC00258037-01 196715975 tox21-ror-cho-viability-p1 set2 4 1.26305457 3.02831931 0.85745854 1.32589468 3.64407165 3.76319116 0.89535597 -0.88297972 2.25873083 -0.12792103 2.9097264 2.77237069 1.88356866 3.23834367 3.62772277 1.206E-9 2.697E-9 6.0309999999E-9 1.349E-8 3.016E-8 6.743E-8 1.5079999999E-7 3.371E-7 7.539E-7 0.0000016859999999 0.000003769 0.000008429 0.00001885 0.00004214 0.000094239999999 7664-93-9 1118 144207681 Sulfuric acid O=S(=O)(O)O Tox21_200483 -NCGC00258555-01 196715983 tox21-ror-cho-viability-p1 set2 4 -1.12921056 -1.01213778 0.6865547 0.95500564 2.88739217 -0.20997317 0.60214387 1.12492509 0.93714148 2.90979011 3.50493713 -0.49661169 0.67185672 0.61650061 0.94014277 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.299E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.00001844 0.00004124 0.00009222 97-72-3 7346 144208200 A A Isobutyric anhydride CC(C)C(=O)OC(=O)C(C)C Tox21_201002 -NCGC00344545-01 196725081 tox21-ror-cho-viability-p1 set3 4 0.016785492 -15.514840712 0.5 -15.014840712 1.331 0.7742680761 0.0130812145 -1.21026118 0 0 0 -9.70940305 -12.450532 -10.02557603 -8.79503383 -18.34466267 -18.46582617 -17.72525342 -10.28141113 -20.01236726 -12.46858391 -12.57822944 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5817-39-0 644280 170466876 A 3,3',5'-Triiodo-L-thyronine Ic2cc(Oc1ccc(C[C@H](N)C(=O)O)cc1I)cc(I)c2O Tox21_112797_1 -NCGC00259784-01 196724659 tox21-ror-cho-viability-p1 set3 4 15.2148709852 -10 15 5 4.9549173134 0.4684799468 0.2075533175 9.82057622 7.55346701 9.72063865 17.90310216 14.5441738 18.43588069 20.0397426 14.81862859 18.29199759 11.17634266 19.09940365 15.86005777 7.58468062 2.97792298 7.52753656 1.171E-9 2.6189999999E-9 5.856E-9 1.3089999999E-8 2.9279999999E-8 6.547E-8 1.464E-7 3.274E-7 7.3199999999E-7 0.000001637 0.00000366 0.0000081839999999 0.0000183 0.00004092 0.0000915 126-07-8 441140 144209433 A A Griseofulvin O=C2c3c(O[C@]12C(=CC(=O)C[C@H]1C)OC)c(Cl)c(OC)cc3OC Tox21_202235 -NCGC00260131-01 196724663 tox21-ror-cho-viability-p1 set3 4 0.004577167 8.610050076 -4.610050076 4 4.9549173134 0.7344341425 0.024761301 -5.92504173 -5.1235582 -0.63112204 -4.89605156 5.31818685 3.84987934 5.25865946 0.6917973 0.46846066 6.47598955 3.37932449 4.49559043 3.3921124 6.35762017 2.2947414 2.932E-10 6.5569999999E-10 1.466E-9 3.278E-9 7.331E-9 1.6389999999E-8 3.665E-8 8.196E-8 1.8329999999E-7 4.098E-7 9.1629999999E-7 0.0000020489999999 0.0000045819999999 0.00001024 0.00002291 81-49-2 6681 144209780 A B 1-Amino-2,4-dibromoanthraquinone O=C2c1ccccc1C(=O)c3c2c(N)c(Br)cc3Br Tox21_202582 -NCGC00016806-13 196725078 tox21-ror-cho-viability-p1 set3 -2.4 18.8336317891 -35.879807904 -4 -39.879807904 0.7999999999 0.8289226894 0.0040691485 -10.89613225 -0.80168108 -0.91858985 1.027894 -5.08657305 -3.53714066 -4.84184492 -6.93061622 -12.79301183 -7.74052858 -8.90836187 -8.50914763 -17.35547866 -22.23920494 -29.89983992 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 31431-39-7 4030 170464914 A Mebendazole O=C(OC)Nc1nc2cc(ccc2n1)C(=O)c3ccccc3 Tox21_110620_1 -NCGC00160661-02 196725082 tox21-ror-cho-viability-p1 set3 4 0.0375780358 -3.591839872 1.5 -2.091839872 2.4063783767 0.3384340325 0.3345025764 -2.0524279 0.32190926 8.37897505 -0.2530804 1.43119721 -0.70861358 0.32841881 -5.90986656 -3.74632813 -1.18188251 -1.63743182 -1.48075749 -3.31417259 -2.11444351 -0.46759309 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66871-56-5 47510 170466410 A Lidamidine O=C(Nc1c(C)cccc1C)NC(=N)NC Tox21_113641_1 -NCGC00018238-09 196725477 tox21-ror-cho-viability-p1 set3 4 0.1883363179 -13.40562144 -2.5 -15.90562144 0.8999999999 0.5457136625 0.1389486049 0 0 -9.02513353 -8.28488601 1.94239489 -4.54278772 -7.300927 -4.06907408 -19.9213512 -7.9764092 -16.47204158 -7.16532485 -19.45174983 -19.45246873 -13.43315106 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 20559-55-1 4622 170465661 A Oxibendazole O=C(OC)Nc1nc2cc(ccc2n1)OCCC Tox21_110844_1 -NCGC00093354-05 196725476 tox21-ror-cho-viability-p1 set3 4 -6.21333277 0 -6.6478042 -9.21809588 -1.25243181 -7.58761286 -6.59780074 -9.93602459 4.55042804 0.89073265 3.60872592 -9.61242196 -0.5952694 -10.19525007 1.82677256 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98-92-0 936 170464905 A Niacinamide NC(=O)c1cccnc1 Tox21_111202_1 -NCGC00016411-10 196725484 tox21-ror-cho-viability-p1 set3 3 33.4914596268 50.829229767 1.7772759449 52.6065057119 4.9549173134 0.9610951721 0.0000021028 3.80400453 0.25346152 0.68476394 0.6548242 1.31978132 -0.2061491 6.31539157 -1.0281767 2.73814676 -0.44751944 3.05259972 0.09730821 5.63272538 5.18696405 43.86094345 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 149-16-6 2480 170465459 A Butacaine Nc1ccc(cc1)C(=O)OCCCN(CCCC)CCCC Tox21_110428_1 -NCGC00357247-01 196724305 tox21-ror-cho-viability-p1 set3 4 0.0030637859 12.343837112 -9.343837112 3 0.5 0.6868599569 0.0452126099 -6.11986426 -1.66005225 -1.48733061 -1.32364844 -1.31681653 0.86012279 0.9562859 1.333986 0.12863323 6.2789003 3.49688304 4.42677263 3.89953617 1.79977543 0.03226134 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-05-0 31282 251919860 F 1,2-Bis((chlorocarbonyl)oxy)ethane ClC(=O)OCCOC(=O)Cl Tox21_304040 -NCGC00260358-01 196712446 tox21-ror-cho-viability-p1 set2 4 31.8569685519 11.663347432 0.336652568 12 2.1210667061 0.6185934706 0.0847132922 5.67925898 -1.85247816 2.47246227 -2.33559863 5.48655666 -0.92223978 0.1983745 -1.38161186 -2.63612286 0.36355007 -0.74902729 2.69463984 2.57666082 7.48195431 11.50973736 1.219E-9 2.7269999999E-9 6.097E-9 1.3629999999E-8 3.049E-8 6.817E-8 1.524E-7 3.408E-7 7.621E-7 0.000001704 0.0000038109999999 0.000008521 0.00001905 0.0000426 0.000095269999999 2009-83-8 74828 144210010 A A 6-Chlorohexan-1-ol ClCCCCCCO Tox21_202812 -NCGC00357278-01 196712432 tox21-ror-cho-viability-p1 set2 2.2 34.3762428541 46.600415959 -1.2998520879 45.3005638711 0.4 0.8254243853 0.0044412121 -1.62891476 -2.74987674 -0.14586821 1.35622793 -1.67298506 2.18641575 9.12697924 9.30576217 9.88743912 12.70175988 7.93389447 9.5086682 12.41422929 23.59602957 34.53755914 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 116-17-6 8304 251919788 F Tripropan-2-yl phosphite CC(C)OP(OC(C)C)OC(C)C Tox21_304011 -NCGC00163815-04 196712441 tox21-ror-cho-viability-p1 set2 -3 82.0735505757 -42.4383068156 -4 -46.4383068156 4.9549173134 0.7438224805 0.0213597719 -5.46629897 -10.59918564 0 -10.41907688 -12.37090357 0 0 0 0 -9.10972033 -6.75597901 0 0 -0.62043735 -36.85579906 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00260077-01 196712445 tox21-ror-cho-viability-p1 set2 4 -5.47216176 -0.96072922 -0.06597395 -1.92049276 1.79398308 -10.28720571 -3.6434665 -11.80489883 -5.04063014 -0.76449879 -9.50956333 -0.39798704 0 -9.29745449 -10.58833341 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.9409999999E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.0000411 0.00009189 93-83-4 5371728 144209726 Bc A (9Z)-N,N-Bis(2-hydroxyethyl)octadec-9-enamide O=C(CCCCCCC/C=C\CCCCCCCC)N(CCO)CCO Tox21_202528 -NCGC00093704-12 196712450 tox21-ror-cho-viability-p1 set2 -3 33.4914596268 -38.351029184 -1 -39.351029184 4.9549173134 0.9418726082 0.0000191299 1.08135239 -0.65256316 -0.68555269 -5.83356861 -1.11529513 -2.10410621 -0.69496795 -1.82502033 0.92052565 0.73425327 0.62922132 -3.96890186 2.08139616 -4.92200272 -32.79252432 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59865-13-3 5284373 170466812 F Cyclosporine A C[C@H](C\C=C\C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C)C(C)C Tox21_110667_1 -NCGC00260377-01 196712060 tox21-ror-cho-viability-p1 set2 4 -4.32607901 -2.57168229 -16.67923597 -3.55012957 -5.64425767 -9.60622956 0 -1.93531348 -12.71987163 0 0 0 -6.24484734 -8.0560794 -8.31614034 1.188E-9 2.6549999999E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 3938-95-2 19838 144210029 Fns Ethylpivalate CC(C)(C)C(=O)OCC Tox21_202831 -NCGC00260047-01 196712046 tox21-ror-cho-viability-p1 set2 4 24.2375538006 15.0578463759 -0.0578463759 15 2.4729283767 0.8979443331 0.00036054 1.96789715 0.56152308 0.75916253 -2.19061485 -1.28901391 -1.66337333 -2.96487198 1.44854815 1.47468477 -2.41885035 0.89106036 2.45763485 4.06946224 12.61944784 14.40619617 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 1066-30-4 14012 144209696 Ac Chromium(III) acetate [Cr+3].O=C([O-])C.[O-]C(C)=O.[O-]C(C)=O Tox21_202498 -NCGC00357164-01 196712051 tox21-ror-cho-viability-p1 set2 2.4 12.9900172293 19.468698296 2.531301704 22 4.9549173134 0.7880851549 0.010177113 4.26716068 3.50613436 -2.05724858 4.69257417 0.3755892 4.10395946 4.06081486 -0.29768899 4.58589683 4.7080556 4.21323176 4.86722121 -1.64917931 7.64922159 20.61648714 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 107133-36-8 441313 251919783 A Perindopril erbumine CC(C)(C)N.O=C(OCC)[C@H](CCC)N[C@@H](C)C(=O)N1[C@@H](C[C@@H]2CCCC[C@H]12)C(=O)O Tox21_303915 -NCGC00259141-01 196712054 tox21-ror-cho-viability-p1 set2 -2.1 67.4751061423 -102.2352692552 -8.463184541 -110.6984537962 3.5722481694 0.9163260179 0.0001301553 -7.38996734 -7.01022567 -14.91531142 -7.92391273 -6.58820474 -20.79822285 -6.62257347 -5.33653545 0 -19.56720052 -4.81583327 0 -7.31041902 -22.27703819 -84.63184541 1.164E-9 2.602E-9 5.818E-9 1.301E-8 2.909E-8 6.5049999999E-8 1.4549999999E-7 3.252E-7 7.2729999999E-7 0.0000016259999999 0.000003636 0.000008131 0.00001818 0.000040659999999 0.00009091 143-50-0 299 144208790 A F Kepone O=C2C1(Cl)C3(Cl)C5(Cl)C1(Cl)C4(Cl)C2(Cl)C3(Cl)C4(Cl)C5(Cl)Cl Tox21_201592 -NCGC00023722-08 196712451 tox21-ror-cho-viability-p1 set2 4 1.6785492 -17.81371096 6.5 -11.31371096 0.5 0.9016557279 0.0002989976 8.59660083 6.42303069 4.40899807 6.60424468 2.71635619 3.62653441 2.53985729 2.57952956 0.75790304 0.28114499 0.11052424 -5.09051896 -9.0114258 -8.95436432 -6.04771534 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-91-9 5790 170465247 A Floxuridine FC1=CN(C(=O)NC1=O)[C@H]2C[C@H](O)[C@@H](CO)O2 Tox21_110892_1 -NCGC00016058-07 196712454 tox21-ror-cho-viability-p1 set2 4 0.89466378 3.58822719 2.85124722 4.1217498 0.10084152 -1.69780178 -3.45298702 -4.03237696 2.25127444 1.2645182 -0.24689043 -0.14363153 -2.82535776 2.37181869 3.77456623 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 40796-97-2 671690 170466114 A MDL 72222 CN3[C@H]1CC[C@@H]3C[C@@H](C1)OC(=O)c2cc(Cl)cc(Cl)c2 Tox21_110293_1 -NCGC00183828-01 196725384 tox21-ror-cho-viability-p1 set3 4 4.93002228 -1.97892997 2.37580368 4.21540559 -3.10812687 0.66256724 -0.7394005 -0.79604133 1.05206228 -1.22958247 3.88092467 1.76064958 5.8673155 6.3296977 -4.12993648 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3818-37-9 71467 144206870 Ac F Phenoxypropazine CC(COc1ccccc1)NN Tox21_113319 -NCGC00357233-01 196724955 tox21-ror-cho-viability-p1 set3 4 0.0544826733 6.614002428 -6.114002428 0.5 1.3437170999 0.6269959529 0.079506852 -4.78139714 -8.01166869 -5.06792852 -5.70027255 -3.02572031 -2.89751192 -2.87370686 3.07536517 -0.65514532 2.56595978 3.87570427 -0.13316599 -4.44011031 -0.1537345 0.24507951 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 20662-14-0 71311389 251919884 Scandium chloride hexahydrate O.O.O.O.O.O.Cl[Sc](Cl)Cl Tox21_304021 -NCGC00357013-01 196724965 tox21-ror-cho-viability-p1 set3 4 10.3183374548 -12.976062856 1.5 -11.476062856 2.1210667061 0.3755580149 0.2958857742 -5.37384336 0.08684719 -0.78292263 -0.86335658 0.05037213 1.7286351 6.8078553 6.78423234 -5.42846909 5.94697442 6.30144866 5.65426658 -4.05169503 -3.77082093 -9.98005238 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 2439-01-2 17109 251919707 F Chinomethionate Cc1ccc2nc3SC(=O)Sc3nc2c1 Tox21_303968 -NCGC00091367-05 196725373 tox21-ror-cho-viability-p1 set3 -2.2 21.1316824289 -41.6473593984 2 -39.6473593984 2.3331733767 0.9362994858 0.0000312033 3.14833463 -2.66012254 5.0089986 -0.699701 5.44569798 3.6512332 -2.41614357 6.05100229 0.76302803 2.05506712 -0.82992115 1.04463327 -3.24030264 -18.47317609 -33.82375712 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 117-10-2 2950 170465532 Ac Danthron Oc3cccc2C(=O)c1cccc(O)c1C(=O)c23 Tox21_111122_1 -NCGC00179460-03 196725385 tox21-ror-cho-viability-p1 set3 4 4.57974759 4.88116886 2.4472628 1.67791384 3.37569394 -3.42374432 19.75867201 6.81653638 13.00199551 4.01772116 0.03896716 -1.39379079 -0.43707767 6.71085955 6.26925123 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2668-66-8 247839 170465194 A Medrysone CC(=O)[C@H]4CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3[C@@H](C)C[C@H]12 Tox21_110526_1 -NCGC00163705-03 196725388 tox21-ror-cho-viability-p1 set3 2.2 26.6032120037 54.9468129632 0.103581408 55.0503943712 4.9549173134 0.9334909839 0.0000392012 6.83533894 -1.69157357 0.6332012 5.37908864 5.32904794 -1.1650676 -0.3657539 -0.92385381 -2.92727504 -7.41368216 -0.96974154 0.73462646 -2.36231932 11.23713739 52.13582747 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1465-25-4 15106 170466886 A N-(1-Naphthyl)ethylenediamine dihydrochloride Cl.Cl.NCCNc2cccc1ccccc12 Tox21_111184_1 -NCGC00167524-02 196704267 tox21-ror-cho-viability-p1 set1 -2.4 29.8492948118 -29.6637153919 0.5 -29.1637153919 4.5044702849 0.9444557457 0.0000150044 2.48017947 -0.18189162 -0.3416731 -0.31858792 0.62840546 1.14421618 1.59632853 3.64083525 0.8362404 -2.59564468 -2.65607476 0.20352112 0.17222883 -4.06233517 -25.55309616 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 78613-35-1 54260 170466078 A Amorolfine hydrochloride C[C@H]2CN(CC(C)Cc1ccc(cc1)C(C)(C)CC)C[C@@H](C)O2 Tox21_112521_1 -NCGC00260117-01 196703855 tox21-ror-cho-viability-p1 set1 4 1.77477763 0.60106777 0.35168742 0.09518046 1.71855527 0.53075793 4.45671782 4.20715536 1.55120224 -0.78726373 3.79502484 1.35684732 1.37604563 2.83064742 6.46327111 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.324E-8 2.96E-8 6.618E-8 1.4799999999E-7 3.309E-7 7.399E-7 0.0000016539999999 0.0000037 0.000008272 0.0000185 0.00004136 0.000092489999999 44992-01-0 162071 144209766 A 2-(Dimethylamino)ethyl acrylate methochloride [Cl-].C[N+](C)(C)CCOC(=O)C=C Tox21_202568 -NCGC00357065-01 196703861 tox21-ror-cho-viability-p1 set1 4 1.56185873 -3.50308366 -8.78102931 -5.17507435 -4.33548025 -0.42627275 -7.10020636 -0.72289501 -1.29477459 -8.54411893 -10.05645707 -4.44113848 -2.69902708 -8.45239111 -10.75771428 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 619-73-8 69275 251919924 A 4-Nitrobenzyl alcohol O=[N+]([O-])c1ccc(CO)cc1 Tox21_303773 -NCGC00357166-01 196703863 tox21-ror-cho-viability-p1 set1 4 34.3762428541 7.9857192559 -0.4857192559 7.5 4.9549173134 0.8610761569 0.0016485165 -0.25255675 -1.02457231 -0.18272154 -0.13677614 0.29764764 -0.79315702 -0.83565667 -0.76603543 0.20638487 -0.95605907 -3.73809938 0.66601373 -0.43779345 5.68717101 7.30447635 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-54-8 7304 251919976 F 1-Methylpyrrole Cn1cccc1 Tox21_303918 -NCGC00016260-13 196704269 tox21-ror-cho-viability-p1 set1 4 37.5780357627 -12.6520912199 0 -12.6520912199 4.9549173134 0.4679034731 0.2091782283 4.89642995 -3.87866085 1.75031313 -0.04293521 2.68949922 0.60456962 -2.36325688 -0.8734796 -4.23559891 1.85687726 -5.22564052 1.01624047 1.09876856 1.40217727 -10.54340935 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-54-8 3278 170465426 A Ethacrynic acid Clc1c(ccc(OCC(=O)O)c1Cl)C(=O)C(=C)CC Tox21_110335_1 -NCGC00016672-04 196704272 tox21-ror-cho-viability-p1 set1 4 2.84462424 -7.33917935 2.05432861 -1.32886216 -2.08815976 -1.93260892 3.08828564 2.31897933 -0.54861283 -0.44226964 -1.83731468 5.42302403 0.30224983 1.45304103 -6.43382658 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6170-42-9 80311 170466305 A Chloropyramine hydrochloride Cl.Clc1ccc(cc1)CN(CCN(C)C)c2ccccn2 Tox21_113349_1 -NCGC00247331-02 196722885 tox21-ror-cho-viability-p1 set3 4 0.0191347606 17.5964257439 -17.0964257439 0.5 3.9294729863 0.3401819428 0.3285208851 -18.41368812 -18.04495223 -14.55122531 -14.63768406 -2.56078237 0 -2.22826752 -2.53025641 -7.49356839 16.95273249 -10.86841638 -14.03091312 16.08272834 -13.80674528 20.87454943 1.1699999999E-9 2.6159999999E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.539E-8 1.462E-7 3.269E-7 7.311E-7 0.000001635 0.0000036549999999 0.000008173 0.00001828 0.000040869999999 0.00009138 20224-45-7 31143 144206420 A A S-(-)-Secobarbital O=C1NC(=O)NC(=O)C1(CC=C)[C@H](C)CCC Tox21_112867 -NCGC00018117-17 196722476 tox21-ror-cho-viability-p1 set3 4 2.71017092 1.17791633 4.05968144 1.4947976 2.20173014 2.40696276 0.47804908 0 0.08874201 -1.13265144 -1.04879944 0.45645748 -1.51017587 0.60499017 8.51098178 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-55-9 2153 170466874 A Theophyllamine O=C2c1ncnc1N(C)C(=O)N2C Tox21_110827_1 -NCGC00253749-01 196722886 tox21-ror-cho-viability-p1 set3 -2.4 5.9557173066 -22.502713748 -1.585624644 -24.088338392 0.7999999999 0.7575619638 0.0173226652 -0.14243981 -5.9268566 -1.63111927 -1.21901285 -0.07135387 -3.39917603 -1.36819149 -0.99028832 -6.03791474 -1.22865524 -16.82634653 -3.97536288 -16.45300496 -17.64503138 -20.90694866 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 599-88-2 68933 170466624 A A Sulfaperin O=S(=O)(Nc1ncc(C)cn1)c2ccc(N)cc2 Tox21_113864 -NCGC00164626-02 196722897 tox21-ror-cho-viability-p1 set3 4 0.5955717307 -8.174447656 -0.5 -8.674447656 1.0999999999 0.8454119942 0.0040309525 0.37804829 -2.10616222 -0.59071893 -0.69724687 0.21084586 -1.7860243 1.15223582 -2.13816479 -3.91733392 -7.30808358 -3.7854983 -8.0810872 -9.72870638 -8.23971559 5.36756391 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 145821-59-6 91274 170465153 A Tiagabine hydrochloride Cl.Cc3ccsc3C(=C\CCN1CCC[C@H](C1)C(=O)O)\c2sccc2C Tox21_112245_1 -NCGC00090774-05 196723298 tox21-ror-cho-viability-p1 set3 -2.2 10.5909294584 -65.785421971 2.7376307975 -63.0477911735 1.3437170999 0.9504677947 0.000007982 2.16015334 2.90821503 2.38297201 -0.34979542 3.3416159 2.93241647 5.13388387 6.86979963 -2.11568287 2.21182464 -9.53865815 -2.59669368 -33.75788499 -38.66931084 -58.37758442 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55981-09-4 41684 170465090 A Nitazoxanide O=C(Nc1ncc(s1)[N+]([O-])=O)c2ccccc2OC(C)=O Tox21_111018_1 -NCGC00259023-01 196720897 tox21-ror-cho-viability-p1 set3 4 -7.23196904 -6.41195023 -5.40680035 -3.77131721 -3.02764001 -3.22499442 -4.86926549 -4.79519274 -4.73360384 -2.93468408 -3.81146205 -4.62320869 -5.36042801 -3.42142217 -1.14370139 1.1859999999E-9 2.6519999999E-9 5.929E-9 1.326E-8 2.9649999999E-8 6.629E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008286 0.00001853 0.000041429999999 0.00009265 147-24-0 8980 144208670 A A Diphenhydramine hydrochloride Cl.CN(C)CCOC(c1ccccc1)c2ccccc2 Tox21_201472 -NCGC00254683-01 196720473 tox21-ror-cho-viability-p1 set3 4 4.46839202 -3.8343631 3.33233986 0.83425149 -4.56249902 -0.61128553 8.96202044 -3.93770076 -3.12210203 1.64591733 -2.54230467 1.03536788 0.77970149 2.24885881 2.57845771 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51338-27-3 39985 144211096 A A Diclofop-methyl Clc2cc(Cl)ccc2Oc1ccc(OC(C)C(=O)OC)cc1 Tox21_300779 -NCGC00163903-03 196720482 tox21-ror-cho-viability-p1 set3 4 -6.32946389 -0.40641715 -9.83586057 4.32847656 -2.50501141 -1.66309387 4.3019651 -1.44006644 1.46162955 -1.59031147 -1.46530706 0.2166759 2.04977282 -0.14791184 5.93170766 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00255082-01 196720882 tox21-ror-cho-viability-p1 set3 4 0.5803555369 14.0219784999 -0.5219784999 13.5 4.9549173134 0.4718106633 0.2205179001 -1.36215185 2.12740429 3.97873305 1.44889413 -5.01501754 -2.40460233 1.25523517 -3.92685396 11.57710922 11.29223939 16.4746814 22.53291028 22.37079616 -7.10164875 6.02314211 1.1299999999E-9 2.527E-9 5.651E-9 1.264E-8 2.8249999999E-8 6.318E-8 1.413E-7 3.159E-7 7.064E-7 0.0000015789999999 0.000003532 0.0000078969999999 0.00001766 0.00003949 0.00008829 199119-58-9 23676736 144211501 A D Trifloxysulfuron-sodium [Na+].O=S(=O)([N-]C(=O)Nc1nc(OC)cc(OC)n1)c2ncccc2OCC(F)(F)F Tox21_301184 -NCGC00259646-01 196721280 tox21-ror-cho-viability-p1 set3 -2.2 30.8872845316 -35.633241288 -6.7313851479 -42.3646264359 1.0999999999 0.9417627174 0.0000193148 -8.4627446 -5.87048209 -6.65002473 -2.27615429 -5.63968719 -5.18667611 -10.2221797 -8.49483429 -10.34454417 -7.00322554 -6.92580692 -13.56321664 -18.86978037 -29.28787337 -33.22052203 1.188E-9 2.656E-9 5.9389999999E-9 1.3279999999E-8 2.969E-8 6.64E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.000003712 0.0000083 0.00001856 0.0000415 0.00009279 491-80-5 5280373 144209295 A A Biochanin A COc1ccc(cc1)C3=COc2cc(O)cc(O)c2C3=O Tox21_202097 -NCGC00091483-03 196721292 tox21-ror-cho-viability-p1 set3 4 -8.14782777 -6.34014168 -6.16324902 -2.82362736 -3.86676043 -5.68115535 -5.23136028 -8.03393579 -4.66553336 -0.41692727 -7.04721072 -7.57255625 -4.33509836 -5.81748962 -3.3913713 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00256626-01 196718184 tox21-ror-cho-viability-p1 set2 4 -5.37660412 -4.74663092 -0.22646129 -1.10666526 0.74315251 -1.13875991 -2.30713949 -3.69157936 -0.18188842 -4.95650359 -2.06959818 -0.07401926 -1.84131395 -1.74586282 0.48383427 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1897-52-5 74695 144212836 Ac 2,6-Difluorobenzonitrile N#Cc1c(F)cccc1F Tox21_302519 -NCGC00257338-01 196718193 tox21-ror-cho-viability-p1 set2 4 0.4636393872 5.2065142919 -3.2065142919 2 4.9549173134 0.490108904 0.1888927659 0.08119279 0.35839129 -5.63187212 -6.34366187 -3.00771187 -2.49538396 -3.27458098 -2.80258927 -8.08876191 0.92519793 2.32481849 6.2925311 1.7786561 -2.13874987 1.53752658 3.952E-10 8.837E-10 1.976E-9 4.419E-9 9.88E-9 2.2089999999E-8 4.94E-8 1.1049999999E-7 2.47E-7 5.523E-7 0.000001235 0.000002762 0.0000061749999999 0.00001381 0.000030879999999 78473-71-9 10685477 144213860 A A Enterolactone Oc1cccc(c1)C[C@H]3C(=O)OC[C@@H]3Cc2cc(O)ccc2 Tox21_303555 -NCGC00095042-06 196718608 tox21-ror-cho-viability-p1 set2 4 -0.93956214 1.60936678 -1.23775186 3.15629361 0.89782054 3.99081362 -1.0606864 2.00002236 3.02559263 0.36786501 7.39167941 1.39696488 2.53766856 1.93645819 -0.77897855 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.891E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003852 0.000008614 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00257617-01 196715298 tox21-ror-cho-viability-p1 set2 4 48.9036036319 -15.114661572 -0.5 -15.614661572 3.0654483358 0.6761760994 0.0499719541 -4.77099339 2.01450589 2.65053096 1.45525412 1.46816194 -0.68658088 0.08141077 1.99445525 -4.95253029 -4.54818599 1.94350651 -0.51132021 -0.61529021 -6.08704394 -13.84555131 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.4829999999E-7 3.317E-7 7.417E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.00004146 0.000092709999999 4454-05-1 91538 144207261 AC 2-Methoxy-3,4-dihydro-2H-pyran COC1CCC=CO1 Tox21_200063 -NCGC00254371-01 196714887 tox21-ror-cho-viability-p1 set2 4 -1.25314075 1.43975491 1.70744421 -3.30789229 0 1.22138545 0.86279992 -1.23004786 2.16746598 1.64895173 0.30240608 0.39493468 1.43524505 2.38967399 1.3744391 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 207736-05-8 54687772 144210747 A A CI-1029 CC(C)[C@]3(CCc1ccc(N)cc1)CC(O)=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O3 Tox21_300429 -NCGC00258566-01 196715290 tox21-ror-cho-viability-p1 set2 -2.4 78.6838064286 -27.6984029039 -2 -29.6984029039 4.9549173134 0.7982562161 0.0082849122 -1.01332254 -0.10708175 -0.90508831 -0.07466857 0.42308988 -0.89318974 -7.33784356 0.26875416 -3.62462598 -5.60958975 -2.09044013 -6.49911297 0.25771101 -0.04087783 -23.08200242 1.202E-9 2.6889999999E-9 6.0119999999E-9 1.344E-8 3.006E-8 6.722E-8 1.503E-7 3.361E-7 7.516E-7 0.0000016809999999 0.000003758 0.000008403 0.000018789999999 0.00004201 0.00009394 1191-41-9 6371716 144208211 A F Ethyl linolenate O=C(CCCCCCC\C=C\C\C=C\C\C=C\CC)OCC Tox21_201013 -NCGC00258565-01 196715296 tox21-ror-cho-viability-p1 set2 4 0.71178589 0.58278122 -5.25064842 -2.21650473 -0.95035584 -2.2246779 -2.19265971 -4.36334268 -1.24369466 0.50861111 -1.80597247 -2.70446608 -0.48273637 -1.85155409 0.07613419 1.167E-9 2.608E-9 5.8329999999E-9 1.304E-8 2.9159999999E-8 6.521E-8 1.458E-7 3.26E-7 7.2909999999E-7 0.0000016299999999 0.000003645 0.0000081509999999 0.00001823 0.000040759999999 0.000091129999999 2905-65-9 17946 144208210 A Ac Methyl 3-chlorobenzoate Clc1cc(ccc1)C(=O)OC Tox21_201012 -NCGC00257843-01 196715705 tox21-ror-cho-viability-p1 set2 4 -0.62266363 -1.86465062 -1.94076652 0.33399901 -4.21985744 -4.2454935 -3.89607093 -5.10261044 -5.82619212 1.69187991 -2.91647016 -4.73254363 -3.50353353 -0.87576693 -1.01807922 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.0000082699999999 0.000018489999999 0.00004135 0.000092459999999 122-60-1 31217 144207487 A A Phenyl glycidyl ether c2ccc(OCC1CO1)cc2 Tox21_200289 -NCGC00091080-03 196715718 tox21-ror-cho-viability-p1 set2 4 2.20056384 -1.55746045 2.52453172 4.64757824 -1.38782257 4.08376459 -0.66573924 1.16223166 0.36751487 -2.27901079 3.49162437 4.30477427 3.23570474 -1.14187809 0.15082467 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00257556-01 196715723 tox21-ror-cho-viability-p1 set2 4 -4.16550049 -2.16647575 -2.01436689 0.29771501 -4.97463223 -3.0069402 -3.90223038 -3.18966763 -5.11117434 -0.39556586 -3.68608812 -5.4316382 -2.56797717 0.21393617 2.66751914 1.137E-9 2.543E-9 5.6849999999E-9 1.271E-8 2.843E-8 6.356E-8 1.421E-7 3.178E-7 7.1069999999E-7 0.000001589 0.0000035529999999 0.000007946 0.000017769999999 0.000039729999999 0.000088829999999 110-02-1 8030 144207200 FC Thiophene c1cccs1 Tox21_200002 -NCGC00258459-01 196716117 tox21-ror-cho-viability-p1 set2 4 1.77954101 2.94739255 -1.25467283 -6.70052362 -5.18562988 1.2074019 0.9301729 0.33010426 3.10196138 -0.07171744 -3.3898343 -4.72369875 -3.01011504 -4.80084999 -1.71195875 1.2319999999E-9 2.755E-9 6.1599999999E-9 1.3769999999E-8 3.08E-8 6.887E-8 1.54E-7 3.444E-7 7.6999999999E-7 0.000001722 0.0000038499999999 0.000008609 0.00001925 0.000043039999999 0.00009625 75-89-8 6409 144208103 A 2,2,2-Trifluoroethanol FC(F)(F)CO Tox21_200905 -NCGC00258371-01 196716126 tox21-ror-cho-viability-p1 set2 4 -0.40205504 0.36383606 -0.25803104 4.43220107 -0.12771105 1.6094129 0.88633844 -0.8509943 4.2712902 -1.63189847 0.3680339 0.75202554 1.21713657 -1.20973604 5.40344642 1.213E-9 2.7119999999E-9 6.064E-9 1.3559999999E-8 3.0319999999E-8 6.78E-8 1.516E-7 3.39E-7 7.58E-7 0.000001695 0.0000037899999999 0.000008474 0.00001895 0.000042369999999 0.00009475 108-05-4 7904 144208015 FNS Vinyl acetate CC(=O)OC=C Tox21_200817 -NCGC00258325-01 196716131 tox21-ror-cho-viability-p1 set2 -2.1 45.3123530103 -106.6851631664 1.4440131359 -105.2411500305 3.5117481694 0.997053897 0 2.24737375 1.96879766 3.61853101 3.12339341 3.72640439 0.945379 0.67438886 0.54230916 0.56803217 0.94225675 2.83115062 -1.16553911 -0.40176445 -30.91978734 -91.83346425 1.012E-9 2.262E-9 5.058E-9 1.131E-8 2.529E-8 5.655E-8 1.264E-7 2.827E-7 6.322E-7 0.000001414 0.000003161 0.0000070679999999 0.00001581 0.00003534 0.00007903 24169-02-6 68589 144207969 A A Econazole nitrate [O-][N+](=O)O.Clc3ccc(C(OCc1ccc(Cl)cc1)Cn2ccnc2)c(Cl)c3 Tox21_200771 -NCGC00260183-01 196724802 tox21-ror-cho-viability-p1 set3 4 -4.47819632 -1.53514216 0.96144313 3.06529672 1.28189983 2.00310326 1.914748 -0.18181343 -0.12579319 2.48790303 -2.0499502 -5.03110835 4.70392949 1.1442553 0.95086122 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.0000016719999999 0.0000037379999999 0.000008358 0.00001869 0.00004179 0.00009344 65039-08-9 2734235 144209833 A 1-Ethyl-3-methylmidazolium bromide [Br-].C[n+]1ccn(CC)c1 Tox21_202635 -NCGC00256022-01 196728075 tox21-ror-cho-viability-p1 set3 4 -0.22884223 1.42319374 1.26091439 -1.02429027 -0.10853254 -0.62283145 1.58188061 -2.95338226 -0.54866272 -2.78717761 0.37550998 -3.43478524 -3.85179761 -2.98602303 -0.15004747 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3698-94-0 77288 144212210 A Fns Ethyl octyl sulfide CCCCCCCCSCC Tox21_301893 -NCGC00256083-01 196728079 tox21-ror-cho-viability-p1 set3 1.1 1.0870722482 68.5395687155 -0.8828256019 67.6567431136 1.9673362061 0.9499779305 0.000020589 0 1.27607042 -0.74939937 1.09664437 4.29568299 -0.9233058 -1.87647297 2.76432009 3.01077977 61.16985824 66.27843688 62.57245585 69.43410741 61.75932827 43.02096751 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2057-49-0 74937 144212036 A A 4-(3-Phenylpropyl)pyridine C(CCc1ccncc1)c2ccccc2 Tox21_301719 -NCGC00255548-01 196728474 tox21-ror-cho-viability-p1 set3 4 1.38933167 2.13779279 -4.29306959 -1.61483407 -1.80613446 1.09633198 2.29240801 1.23887581 3.17994547 -8.89632042 2.74584518 1.89424151 -1.34563607 3.10884873 -0.57672742 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 116-02-9 8298 144211817 C I 3,3,5-Trimethylcyclohexanol CC1(C)CC(C)CC(O)C1 Tox21_301500 -NCGC00090702-02 196724388 tox21-ror-cho-viability-p1 set3 4 3.31954045 -3.90819615 -1.75235666 7.67559678 -1.20210616 7.80247465 7.47387559 7.65825022 -4.18212373 -4.39373522 -0.81690731 -3.97939945 2.91582332 -2.32952076 0.95787956 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00357105-01 196724398 tox21-ror-cho-viability-p1 set3 1.4 0.0015355304 22.489312304 -25.489312304 -3 4.9549173134 0.7327934196 0.0251886395 -20.82442692 -2.40615571 -0.84674648 -1.75907299 -6.30325113 -1.08575418 2.83264121 -3.66370399 -6.44666671 -3.91823719 -0.01656684 -2.42128393 -7.17692135 -5.59255399 -3.90100321 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 874-60-2 13405 251919963 p-Toluoyl chloride Cc1ccc(cc1)C(=O)Cl Tox21_303832 -NCGC00260162-01 196724801 tox21-ror-cho-viability-p1 set3 -2.4 2.4311769313 -21.622180412 -1 -22.622180412 4.9549173134 0.8672224715 0.0012782472 -8.66517057 2.38916281 -2.07479884 -8.02172655 2.81041673 0.06579806 0.9166092 2.4316056 -3.89225153 1.27954238 -25.10181701 -22.80169932 -19.86539358 -20.70354676 -23.36624517 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 460092-03-9 11181836 144209812 A Ac Trihexyltetradecylphosphonium bis(trifluoromethylsulfonyl)imide FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.CCCCCC[P+](CCCCCC)(CCCCCC)CCCCCCCCCCCCCC Tox21_202614 -NCGC00357163-01 196724808 tox21-ror-cho-viability-p1 set3 4 -3.78267147 0.54311074 3.26679142 -3.89730195 -1.82710306 -0.51881857 -6.44897336 -0.05234592 -1.06467242 -0.05417635 -4.92164434 1.47921804 -5.39513367 -0.94708462 2.05844545 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-37-1 66133 251919648 A Benzyltriethylammonium chloride [Cl-].CC[N+](CC)(Cc1ccccc1)CC Tox21_303914 -NCGC00260371-01 196724812 tox21-ror-cho-viability-p1 set3 4 -10.4154764 5.01964064 2.66467206 -11.38210512 4.31338571 5.53044358 -1.10263786 0.60950567 -2.30371835 -5.5377248 3.61810807 1.07237123 0.7895296 3.13561852 4.17071444 2.954E-10 6.6049999999E-10 1.477E-9 3.303E-9 7.385E-9 1.651E-8 3.6929999999E-8 8.257E-8 1.8459999999E-7 4.128E-7 9.231E-7 0.000002064 0.0000046159999999 0.00001032 0.000023079999999 3508-00-7 19022 144210023 Fns Heptadecane,1-bromo- BrCCCCCCCCCCCCCCCCC Tox21_202825 -NCGC00260390-01 196724818 tox21-ror-cho-viability-p1 set3 -2.2 61.5037543138 -72.3713365428 -4.675059156 -77.0463956988 2.4729283767 0.8625640685 0.0015006662 0.47639385 -14.40912105 -12.33035085 3.38210997 3.0811477 -11.05884807 0.25632014 -8.44944983 0.45774771 -8.25571513 -5.82221235 0.30834947 -10.01491714 -23.29391853 -58.36848159 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.000041429999999 0.000092629999999 54029-45-7 104677 144210042 A A 2-Nitro-4-thiocyanoaniline N#CSc1cc(c(N)cc1)[N+]([O-])=O Tox21_202844 -NCGC00181161-03 196725222 tox21-ror-cho-viability-p1 set3 4 0.0211316824 7.900322032 0.599677968 8.5 4.9549173134 0.3986149358 0.2900436837 1.23855415 1.25305362 2.12204878 -0.75026836 0.03378365 11.9530654 2.14892068 16.05879476 3.7510989 11.35190626 -0.1058634 12.51090731 13.06784865 5.4009228 1.35580329 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118-61-6 8365 170466844 F Ethyl salicylate Oc1ccccc1C(=O)OCC Tox21_112764_1 -NCGC00181782-03 196725226 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -99.5285516274 6.8709654234 -92.657586204 4.9549173134 0.8589769133 0.0016906026 -5.42861622 -5.42091945 1.7574672 -3.48058866 6.29825614 8.61600417 8.95065698 0 7.50077076 4.23373457 12.79307593 19.68357516 16.04997471 17.54792603 -86.0235852 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 106516-24-9 60149 170465613 A Sertindole Fc1ccc(cc1)n5cc(C3CCN(CCN2CCNC2=O)CC3)c4cc(Cl)ccc45 Tox21_113421_1 -NCGC00024622-05 196725228 tox21-ror-cho-viability-p1 set3 4 6.4675338 1.99244478 -0.08612573 1.46259737 -1.74672945 1.11130224 8.57675815 5.40027504 -4.51853761 3.88824658 -1.38064971 -1.38870853 -6.07065583 -0.54929975 -0.05364695 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14663-23-1 32731 170464793 A Dantrolene sodium [Na+].[O-][N+](=O)c1ccc(cc1)c3ccc(/C=N/N2CC(=O)[N-]C2=O)o3 Tox21_112013_1 -NCGC00164164-02 196699974 tox21-ror-cho-viability-p1 set1 4 30.6378586933 7.976667 0.523333 8.5 2.6384283767 0.6103597773 0.0914724727 2.09157696 1.53055717 5.26684847 0.28342033 0.07993493 0.37817756 -2.8972225 -0.09505146 0.37386263 1.44355975 -2.01973869 -0.24378505 2.7474855 5.48873782 8.23917491 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00254018-01 196699572 tox21-ror-cho-viability-p1 set1 4 3.8570778872 -18.494360168 0 -18.494360168 0.8999999999 0.8681294013 0.0012423603 1.32247644 0.5797837 -0.2246592 0.00530917 -5.24073417 0.08714504 -1.07296836 0.31318135 -0.14832962 -10.06883437 -7.83090242 -11.60037816 -17.06647798 -12.09830692 -19.99530014 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-94-8 7031 144210599 A A Michler's ketone CN(C)c1ccc(cc1)C(=O)c2ccc(cc2)N(C)C Tox21_300279 -NCGC00254209-01 196699578 tox21-ror-cho-viability-p1 set1 -2.1 28.2546944408 -86.8621696811 -2.395384245 -89.2575539261 1.78848746 0.9658630006 0.0000010073 1.44643664 -4.55958157 -2.05786094 -0.87516123 -8.38592536 -0.5959599 -0.75324496 0.36891592 -1.39734033 0.56470834 -6.31577302 -19.29615817 -22.85809366 -52.63369291 -87.50740581 1.103E-9 2.466E-9 5.515E-9 1.233E-8 2.758E-8 6.166E-8 1.3789999999E-7 3.083E-7 6.894E-7 0.000001542 0.0000034469999999 0.000007708 0.000017239999999 0.00003854 0.00008618 180084-01-9 10483134 144210532 A A SB236057A Cl.Cc1nnc(o1)c2cc(C)c(cc2)c3ccc(cc3)C(=O)N6CCc5cc7OCC4(CCN(CC)CC4)c7cc56 Tox21_300212 -NCGC00254386-01 196699579 tox21-ror-cho-viability-p1 set1 4 2.57917301 1.18135945 -7.33596108 0.37274822 1.45258505 -0.52642433 0.10955958 0.68934042 -0.57807459 0.48156928 2.24684202 2.22748456 -1.37224136 0.14480784 3.54426541 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1338-43-8 9920342 144210707 D Sorbitan, mono-(9Z)-9-octadecenoate O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)[C@H]1OC[C@H](O)[C@H]1O Tox21_300389 -NCGC00255033-01 196699975 tox21-ror-cho-viability-p1 set1 4 -5.94033108 -1.61139427 -1.53898312 -4.57562517 -0.71226562 -6.54335405 -0.32382189 -5.48040227 -5.76604096 -5.24941876 -8.89047238 -4.29885705 -5.13361765 -0.14381037 -0.39302445 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004107 0.00009184 16672-87-0 27982 144211451 A Ac Ethephon ClCCP(=O)(O)O Tox21_301134 -NCGC00256064-01 196700387 tox21-ror-cho-viability-p1 set1 4 -1.33324376 -2.36254934 0.18338382 -0.93786339 0.37723266 -0.33336445 -1.26056593 -2.58944563 -1.56730535 0.97492116 -6.02639085 -1.27931188 0.00581946 1.11912688 -0.65023979 1.167E-9 2.609E-9 5.8339999999E-9 1.304E-8 2.917E-8 6.522E-8 1.458E-7 3.261E-7 7.2919999999E-7 0.000001631 0.000003646 0.000008153 0.00001823 0.000040759999999 0.00009115 81025-04-9 3067270 144212600 D-Lactitol monohydrate O.OC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO Tox21_302283 -NCGC00255329-01 196700388 tox21-ror-cho-viability-p1 set1 4 0.57439852 0.00233524 1.86814076 -9.48216803 0.30123406 1.10307398 -1.17827333 -0.98636311 -0.48773285 1.35167959 0.58320614 -0.83776884 -0.81073388 4.60708345 1.81842675 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-51-3 31260 144212676 Ac Isopentyl alcohol CC(C)CCO Tox21_302359 -NCGC00253770-01 196723655 tox21-ror-cho-viability-p1 set3 4 -2.20105725 4.04782414 1.44602345 -2.11898761 2.79242211 3.6078864 -3.35798085 3.11949743 -0.08474688 2.34406401 -6.91923403 1.07662089 -5.1068283 -2.4453384 7.86931222 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 75887-54-6 72416 170466068 F Artemotil CC12O[C@H]4O[C@H](OCC)[C@H](C)[C@@H]3CC[C@@H](C)[C@H](CC1)[C@@]34OO2 Tox21_113883 -NCGC00015714-16 196723246 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -38.668011238 0.762717924 -37.905293314 4.9549173134 0.5509727417 0.1343256038 13.8112088 3.45192084 7.64587979 -2.25791367 6.59289389 0.51262257 2.08532745 -5.83134898 -22.10157786 3.80116623 0.05119391 -2.15776684 0.49168202 0.73497261 -33.56161196 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66085-59-4 4497 170466561 A Nimodipine CC=1NC(C)=C(C(C=1C(=O)OC(C)C)c2cccc(c2)[N+]([O-])=O)C(=O)OCCOC Tox21_110202_1 -NCGC00090702-02 196723250 tox21-ror-cho-viability-p1 set3 4 8.53045674 2.71931914 1.13220927 0.64106892 14.95586036 1.42909402 4.27964177 2.848421 6.25446844 6.8846314 6.85112662 4.40027381 4.52393234 9.25335102 13.31642238 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00181775-02 196723258 tox21-ror-cho-viability-p1 set3 -2.4 33.4914596268 -26.956128824 0.5 -26.456128824 4.9549173134 0.8654572726 0.0013682299 1.52979924 0.9512425 0.84068916 -1.7106227 0.38123501 1.82298658 -1.87161608 6.27509776 2.81236306 -2.69688896 -1.65160855 -1.40125914 -0.30025129 -0.63531773 -22.04677402 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 92-31-9 7083 170466390 F Toluidine blue [Cl-].CN(C)c1ccc2nc3cc(C)c(N)cc3[s+]c2c1 Tox21_113159_1 -NCGC00091663-03 196723657 tox21-ror-cho-viability-p1 set3 4 16.88836477 10.17332189 -1.39872818 10.51977029 8.55499797 1.42764068 5.70563149 -0.25902115 2.89397022 1.59858556 3.85914457 5.47211444 4.86533821 10.20603267 8.9491355 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00091351-03 196697740 tox21-ror-cho-viability-p1 set1 4 0.21958382 -0.97920769 0.63212088 -2.15254808 -5.29090711 -2.28228193 0.02858731 -0.42846214 -4.10639022 -2.71123235 -1.91649762 -1.67586911 -2.90139567 -2.19613575 0.03138741 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00260150-01 196723910 tox21-ror-cho-viability-p1 set3 4 -7.60045233 0.73451598 -1.79866465 2.45251358 4.67065863 -3.44791197 0.34973448 2.56725444 1.17757664 -6.67593747 4.54242858 0.59197703 -2.71723127 -1.08545263 2.78138737 1.187E-9 2.6549999999E-9 5.936E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.3189999999E-7 7.42E-7 0.000001659 0.0000037099999999 0.0000082959999999 0.00001855 0.000041479999999 0.00009276 153-18-4 5280805 144209800 A A Rutin trihydrate Oc1ccc(cc1O)C=4Oc5cc(O)cc(O)c5C(=O)C=4O[C@@H]3O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]3O Tox21_202602 -NCGC00249904-01 196697737 tox21-ror-cho-viability-p1 set1 4 -0.72713516 -1.11242314 -2.02535694 -0.55331378 0.13109408 0.28981464 -0.96065101 -0.12028393 -0.46715608 -1.82788178 -0.13981563 -3.67299741 -1.18280566 -0.15120621 1.05929938 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54400-59-8 166572 170466389 A A Butamisole CC(C)C(=O)Nc1cccc(c1)C2N=C3SCCN3C2 Tox21_113680 -NCGC00090942-03 196719414 tox21-ror-cho-viability-p1 set2 -2.1 61.130564862 -92.8339649948 -6.223716256 -99.0576812508 2.8472712143 0.9831993805 1.73E-8 -7.91530269 -6.21144147 -8.35107061 -4.20816127 -4.79541239 -7.30677987 -9.78161946 -1.35643067 -6.63116125 -10.86519607 -3.91645457 -4.27316988 -8.43085466 -28.4263698 -77.31642519 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00257232-01 196719396 tox21-ror-cho-viability-p1 set2 4 0.83289402 -4.6298709 1.54257355 1.25102374 1.82405368 1.50960407 2.34231323 -1.22522381 -3.7193731 -4.48853536 -3.5142489 3.09877034 -0.84429329 -0.7889523 0.19227475 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 87-02-5 6868 144213627 A F 7-Amino-4-hydroxynaphthalene-2-sulfonic acid O=S(=O)(O)c1cc(O)c2ccc(N)cc2c1 Tox21_303310 -NCGC00256945-01 196719401 tox21-ror-cho-viability-p1 set2 4 -0.88895984 0.97756833 0.87894888 1.27534182 -9.10363728 -12.15757116 -1.29858266 -9.10494007 -5.76479761 -3.25205037 -3.32494856 2.81228272 0.00073851 -0.05818512 4.57924602 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 625-55-8 12257 144213599 Fns Isopropyl formate CC(C)OC=O Tox21_303282 -NCGC00256630-01 196719412 tox21-ror-cho-viability-p1 set2 4 3.8570778872 7.387526092 -5.887526092 1.5 1.8851180601 0.5433321784 0.1420806779 -4.02474871 -1.73815774 -5.8118004 -1.86390387 -4.52221215 -11.57293841 -10.43705233 -3.77703213 -7.96207417 -3.51088587 -2.36703811 0.19445119 0.37316995 2.09195153 1.04629313 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1117-55-1 14228 144212895 A Fns Hexyl octanoate O=C(CCCCCCC)OCCCCCC Tox21_302578 -NCGC00257075-01 196719418 tox21-ror-cho-viability-p1 set2 -2.4 30.6378586933 -32.285803132 -0.5 -32.785803132 1.2221 0.907603139 0.0002168523 0.14745521 1.5652426 1.31699105 1.49201136 1.82744716 0.3499068 -0.08193953 0.82239564 -5.44139385 -7.70179576 -3.9655469 -4.54593518 -8.71570988 -20.58941965 -27.32150261 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 83-26-1 6732 144213634 A Fc Pindone CC(C)(C)C(=O)C2C(=O)c1ccccc1C2=O Tox21_303317 -NCGC00091902-08 196719811 tox21-ror-cho-viability-p1 set3 4 0.4855773367 -4.9648906401 5 0.0351093599 4.9549173134 0.322408064 0.347306883 5.29987924 7.55752328 -0.3384805 10.85372599 2.34191988 0.70993729 7.80109539 6.21344079 -1.55375811 -1.76911521 -3.7207422 -1.3537063 2.95711652 7.57584625 -3.30552413 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00254586-01 196719814 tox21-ror-cho-viability-p1 set3 4 0.00287083 -5.38393977 2.69353979 -7.86892628 -0.73945438 2.61643924 -3.57823594 -6.4597894 -8.57502024 -9.29395434 -3.90921589 -5.5942228 -1.41614474 -6.04081345 0.79376815 3.508E-9 7.844E-9 1.754E-8 3.9219999999E-8 8.77E-8 1.961E-7 4.3849999999E-7 9.805E-7 0.000002192 0.000004902 0.00001096 0.00002451 0.00005481 0.0001226 0.0002741 420-04-2 9864 144210995 Ac Cyanamide N#CN Tox21_300678 -NCGC00091210-02 196719821 tox21-ror-cho-viability-p1 set3 4 0.0008634922 22.40982744 -23.313741112 -0.903913672 0.2 0.4557497166 0.2200138482 -10.01545818 -18.59478426 -5.84576942 -2.41992806 -10.92153893 -8.83012826 -8.49108897 -7.90166193 -6.06550041 -3.31439551 -2.81827695 -3.12376328 -3.78544765 -3.96750291 -2.97629788 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00254324-01 196719830 tox21-ror-cho-viability-p1 set3 4 0.216899429 16.092088904 -14.592088904 1.5 0.4 0.7667355279 0.0149759457 -13.32081982 -15.49340742 -7.20742288 -5.82075608 -12.80195939 -11.25737053 -6.82788801 -7.10498287 -2.94357518 -3.23852865 -0.30749549 -4.14036563 -0.56145295 0.35315773 -0.50650097 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 496-72-0 10332 144210825 A D 3,4-Diaminotoluene Cc1cc(N)c(N)cc1 Tox21_300507 -NCGC00258357-01 196729881 tox21-ror-cho-viability-p1 set3 4 0.05230851 -0.68466682 1.20847358 -1.2811829 2.59612516 2.99121241 -1.21585498 -2.04725376 0.0353085 1.9071819 -1.27870757 3.34006034 1.28942029 -3.10289396 -1.94425983 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.945E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.000003681 0.00000823 0.000018399999999 0.00004115 0.000092019999999 2818-69-1 76063 144208001 A A 5-Chloro-2-methyl-1H-benzimidazole Clc1ccc2nc(C)nc2c1 Tox21_200803 -NCGC00258152-01 196730294 tox21-ror-cho-viability-p1 set3 4 34.6911123611 8.7984917079 -3.7984917079 5 0.6999999999 0.3857135766 0.2891869875 -4.39958383 -7.74874309 1.10181173 -0.94693687 -3.52698637 -4.89325826 -4.1792113 -5.28837238 -5.02641794 -0.6414643 1.16306621 -3.68488732 -1.52563626 1.09297713 2.65221981 1.189E-9 2.658E-9 5.9439999999E-9 1.3289999999E-8 2.9719999999E-8 6.646E-8 1.486E-7 3.323E-7 7.4299999999E-7 0.0000016609999999 0.0000037149999999 0.000008307 0.000018579999999 0.00004154 0.000092879999999 155371-19-0 2758873 144207796 A 1-Ethyl-3-methylimidazolium hexafluorophosphate F[P-](F)(F)(F)(F)F.C[n+]1ccn(CC)c1 Tox21_200598 -NCGC00258351-01 196729883 tox21-ror-cho-viability-p1 set3 4 -0.49156198 0.46487123 -5.02949423 -0.92254548 -0.45635895 -0.10163197 -4.92305423 -1.11636013 1.02000212 0.77757256 -0.62705378 -0.21367391 1.0021477 -1.62608368 -0.91624091 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 40601-76-1 93221 144207995 A Bc 1,3,5-Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)-1,3,5-triazinane-2,4,6-trione CC(C)(C)c4cc(C)c(CN3C(=O)N(Cc1c(C)c(O)c(cc1C)C(C)(C)C)C(=O)N(Cc2c(C)cc(c(O)c2C)C(C)(C)C)C3=O)c(C)c4O Tox21_200797 -NCGC00257799-01 196729885 tox21-ror-cho-viability-p1 set3 4 15.4803126886 -12.980934864 1.5 -11.480934864 0.5 0.7168507209 0.0314144717 0.65312036 3.25404118 3.38848293 -0.62242902 0.68334105 0.77872702 1.16705902 0.33671664 -5.06411874 1.1307727 -5.12088368 -0.8422466 -5.82944692 -5.66239827 -9.56744572 1.188E-9 2.656E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.639E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.000003712 0.000008299 0.00001856 0.0000415 0.00009279 69409-94-5 50516 144207443 A A Fluvalinate Clc3cc(ccc3NC(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C(C)C)C(F)(F)F Tox21_200245 -NCGC00258582-01 196729898 tox21-ror-cho-viability-p1 set3 4 -1.21846912 0.19962329 -2.05005763 0.47513163 1.72478329 0.26275054 -1.73714293 1.23005893 6.9900484 1.1683007 1.30661915 7.24367979 0.43767114 -0.51474254 0.04852822 1.172E-9 2.621E-9 5.862E-9 1.311E-8 2.931E-8 6.554E-8 1.465E-7 3.277E-7 7.327E-7 0.0000016379999999 0.000003664 0.000008192 0.00001832 0.00004096 0.00009159 123-62-6 31263 144208227 A A Propanoic anhydride CCC(=O)OC(=O)CC Tox21_201029 -NCGC00257707-01 196730291 tox21-ror-cho-viability-p1 set3 4 3.7904926399 6.330181808 -2.830181808 3.5 1.826479391 0.6940239275 0.0416683843 -3.94675517 -2.87526749 0.06963857 -3.70620416 -2.74607838 -0.95120315 -2.74975614 -4.85848484 -4.72405807 -0.37923871 -0.53544176 3.9866366 1.02584024 1.4802725 6.0267299 1.163E-9 2.5999999999E-9 5.8139999999E-9 1.2999999999E-8 2.9069999999E-8 6.501E-8 1.454E-7 3.25E-7 7.268E-7 0.000001625 0.000003634 0.000008126 0.00001817 0.00004063 0.000090849999999 124-48-1 31296 144207351 AC Ac Chlorodibromomethane BrC(Br)Cl Tox21_200153 -NCGC00258082-01 196730301 tox21-ror-cho-viability-p1 set3 2.4 70.1970324498 34.6626547919 -3.6626547919 31 4.9549173134 0.7986891221 0.008181792 1.46854473 0.60351334 1.66643273 -5.94830417 -5.09524033 -3.37714199 0.74362168 -5.24086286 -1.86881197 -1.86625116 -5.81277155 -5.74345221 -8.88554566 -7.27727667 25.10906277 1.203E-9 2.6889999999E-9 6.013E-9 1.344E-8 3.006E-8 6.722E-8 1.503E-7 3.361E-7 7.516E-7 0.0000016809999999 0.000003758 0.000008403 0.000018789999999 0.00004202 0.00009395 625-28-5 12244 144207726 AC F Isovaleronitrile CC(C)CC#N Tox21_200528 -NCGC00257939-01 196730307 tox21-ror-cho-viability-p1 set3 4 2.95544448 -2.76656791 0.33052301 2.58004845 2.43298031 0.70259161 1.42435965 0.61257522 5.18827484 1.52332998 5.94022128 4.1571304 1.29531092 1.51030294 0.84914913 1.1609999999E-9 2.595E-9 5.803E-9 1.298E-8 2.9019999999E-8 6.488E-8 1.451E-7 3.244E-7 7.254E-7 0.000001622 0.0000036269999999 0.0000081099999999 0.00001814 0.000040549999999 0.00009068 98-15-7 7374 144207583 FNS 3-Chlorobenzotrifluoride FC(F)(F)c1cc(Cl)ccc1 Tox21_200385 -NCGC00258241-01 196730311 tox21-ror-cho-viability-p1 set3 4 0.3402695088 -8.5366835159 0.5 -8.0366835159 3.0654483358 0.4053221273 0.2667360539 -3.47440246 3.17887716 3.94442159 -1.02731874 0.66328657 -0.13264671 -0.89730251 1.09637882 -19.61390293 -11.77722478 0 -0.89914613 -6.29575257 -7.08442043 -13.31169149 1.1699999999E-9 2.6159999999E-9 5.849E-9 1.3079999999E-8 2.925E-8 6.539E-8 1.462E-7 3.27E-7 7.311E-7 0.000001635 0.000003656 0.0000081739999999 0.00001828 0.000040869999999 0.000091389999999 18708-70-8 29228 144207885 A Ac 2,4,6-Trichloronitrobenzene O=[N+]([O-])c1c(Cl)cc(Cl)cc1Cl Tox21_200687 -NCGC00258160-01 196730316 tox21-ror-cho-viability-p1 set3 4 -2.28477497 -2.19152085 6.1546781 -0.12539423 -1.49765617 5.05738395 2.53110714 1.65964898 -3.09028151 1.23689828 0.94111069 2.46522945 1.27108137 3.02619415 7.05890464 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.9409999999E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.0000411 0.00009189 36443-80-8 10560335 144207804 A A 1-Benzyl-3-methylimidazolium chloride [Cl-].C[n+]2ccn(Cc1ccccc1)c2 Tox21_200606 -NCGC00259974-01 196706158 tox21-ror-cho-viability-p1 set1 4 4.4556550495 -4.7552344919 1.5 -3.2552344919 4.9549173134 0.3629250746 0.309979796 -2.14536393 2.15843935 0.62438255 -0.5933781 1.75335847 0.30236832 1.07582391 0.26290116 3.60292029 10.58898576 0.01989078 -3.13819739 -2.40668115 -2.40435825 -3.96269541 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.00001889 0.00004225 0.00009447 119-61-9 3102 144209623 A A Benzophenone O=C(c1ccccc1)c2ccccc2 Tox21_202425 -NCGC00258943-01 196706161 tox21-ror-cho-viability-p1 set1 4 1.25847693 0.26002301 1.55990288 -2.54827877 -0.87392954 2.34560425 1.45321428 3.28463641 -15.08535547 9.98607768 1.77091565 2.86519012 0.0806923 -2.79556406 4.0748748 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.0000036889999999 0.000008248 0.00001844 0.00004124 0.00009222 1569-01-3 15286 144208590 A A 1-Propoxy-2-propanol CC(O)COCCC Tox21_201392 -NCGC00259181-01 196706182 tox21-ror-cho-viability-p1 set1 4 0.0375922553 7.7041836 -7.7041836 0 4.9549173134 0.4812291207 0.1960130219 -8.06373284 -6.77891151 -1.47794781 -12.670153 -7.86417172 3.26785807 2.93023892 -1.74897158 -0.02474763 -3.01530979 3.40796863 -7.91512362 0.49021487 0.43903592 0.27616703 1.155E-9 2.582E-9 5.7739999999E-9 1.291E-8 2.887E-8 6.4549999999E-8 1.443E-7 3.2279999999E-7 7.217E-7 0.000001614 0.0000036089999999 0.000008069 0.000018039999999 0.00004035 0.00009022 76-03-9 6421 144208830 Trichloroacetic acid ClC(Cl)(Cl)C(=O)O Tox21_201632 -NCGC00258797-01 196706575 tox21-ror-cho-viability-p1 set1 4 1.03826973 -4.51450488 -1.53620552 -0.55099009 -0.5103582 1.19727853 -1.1949755 -0.68068909 1.54104936 -1.5822646 -2.19005453 1.56710872 -0.11810965 2.58261192 3.70129411 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.365E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.00004117 0.00009206 833-66-9 23677963 144208443 A A Potassium 6-hydroxynaphthalene-2-sulfonate [K+].[O-]S(=O)(=O)c1ccc2cc(O)ccc2c1 Tox21_201245 -NCGC00259042-01 196706580 tox21-ror-cho-viability-p1 set1 4 -0.67092105 -7.7666199 0.03216438 0.1018818 -0.41012104 1.40069043 2.50935541 -0.8627021 1.05612993 11.20783813 0.9014964 -0.1203107 0.41134947 0.69144265 3.49486041 1.182E-9 2.6429999999E-9 5.91E-9 1.322E-8 2.955E-8 6.608E-8 1.4779999999E-7 3.304E-7 7.388E-7 0.0000016519999999 0.0000036939999999 0.0000082599999999 0.000018469999999 0.000041299999999 0.00009235 24468-13-1 62783 144208689 D Carbonochloridic acid, 2-ethylhexyl ester O=C(Cl)OCC(CCCC)CC Tox21_201491 -NCGC00259630-01 196706586 tox21-ror-cho-viability-p1 set1 4 0.470466 2.4191419 0.29545028 2.91310551 0.77980046 2.50614971 1.57038771 -4.77232606 2.63992628 10.16637059 -2.68540769 0.94263756 -0.07859781 4.50627275 1.62728052 1.188E-9 2.656E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.639E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.0000037109999999 0.000008299 0.00001856 0.00004149 0.00009278 59-02-9 14985 144209279 A Ac alpha-Vitamin E CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(O1)c(C)c(C)c(O)c2C Tox21_202081 -NCGC00259269-01 196706589 tox21-ror-cho-viability-p1 set1 4 2.81675803 1.22428389 -10.28975799 1.40221584 4.26137075 1.15367628 2.06823274 2.21139555 6.65247798 13.78409027 0.21000621 1.00137877 0.7327865 1.2149287 7.17301726 1.2169999999E-9 2.7209999999E-9 6.0849999999E-9 1.361E-8 3.042E-8 6.803E-8 1.521E-7 3.401E-7 7.606E-7 0.0000017009999999 0.000003803 0.0000085039999999 0.00001901 0.00004252 0.000095069999999 563-80-4 11251 144208918 FNS 3-Methyl-2-butanone CC(C)C(C)=O Tox21_201720 -NCGC00259732-01 196706596 tox21-ror-cho-viability-p1 set1 4 55.5926652 21.328421756 -8.828421756 12.5 3.6772481694 0.6182387514 0.0843480025 -12.08686574 -3.33157532 -11.21896933 -11.98386241 -12.35701813 -7.42774776 -5.52320542 -11.48588697 -10.56070199 -11.91470617 0.83558186 -9.76933434 -5.90915059 -3.61498021 9.65556508 1.1999999999E-9 2.684E-9 6.002E-9 1.3419999999E-8 3.0009999999E-8 6.71E-8 1.5E-7 3.355E-7 7.5019999999E-7 0.000001677 0.0000037509999999 0.000008387 0.00001875 0.000041939999999 0.000093769999999 111-69-3 8128 144209381 A A Hexanedinitrile N#CCCCCC#N Tox21_202183 -NCGC00256531-01 196706990 tox21-ror-cho-viability-p1 set1 4 54.4826732819 16.7304358839 -0.7304358839 16 0.2 0.5361613256 0.1491049087 1.55024785 0.45203286 2.69592722 1.66281947 -0.60869657 5.07060883 3.03782293 3.83485501 5.27793243 3.83509143 6.81582969 5.55019625 6.01343449 2.46802765 12.76250399 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 693-98-1 12749 144213125 A A 2-Methylimidazole Cc1nccn1 Tox21_302808 -NCGC00256909-01 196707004 tox21-ror-cho-viability-p1 set1 4 -0.11243235 3.73634799 -0.04930492 -1.78946698 -1.3814274 -1.10511689 -0.67151056 6.85105343 -3.89371725 -0.39146976 -3.57805111 -5.45544935 -5.48159569 0.20387491 7.78368948 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-73-6 31227 144213935 A Ac Benzyl 3-methylbutyl ether CC(C)CCOCc1ccccc1 Tox21_303630 -NCGC00256521-01 196707006 tox21-ror-cho-viability-p1 set1 -2.4 48.5577336745 -30.128491908 2.5 -27.628491908 3.1319983358 0.914418904 0.0001469524 1.79460819 2.22752682 1.1639535 -1.1976735 1.1165885 0.74265322 3.83612111 6.26475155 7.56625884 2.12305194 1.79878477 4.52295305 0.53551535 -8.65235476 -23.85707659 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58-90-2 6028 144213249 B B 2,3,4,6-Tetrachlorophenol Clc1cc(Cl)c(Cl)c(Cl)c1O Tox21_302932 -NCGC00256540-01 196707011 tox21-ror-cho-viability-p1 set1 4 27.3060203028 -9.3206558119 2 -7.3206558119 4.9549173134 0.7154727998 0.0320228919 5.04079416 2.20656994 2.81378792 -0.18498121 0.16270576 1.17575174 0.70876228 5.23304478 1.04763084 2.22283875 0.63857551 -0.24099429 3.59980092 -8.60054651 -5.84271242 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 118-79-6 1483 144213289 A A 2,4,6-Tribromophenol Brc1cc(Br)cc(Br)c1O Tox21_302972 -NCGC00253700-01 196704541 tox21-ror-cho-viability-p1 set1 4 0.42143405 9.00265578 3.58093264 1.63567384 0.33784202 -2.10795191 0.29228352 6.28272526 4.28823585 -4.94634584 0.37351872 5.30856626 3.77258768 4.10257561 0.41569738 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 40188-45-2 736331 170466721 A A 3'-Acetyl-4'-hydroxybutyranilide O=C(C)c1cc(ccc1O)NC(=O)CCC Tox21_113821 -NCGC00260025-01 196703943 tox21-ror-cho-viability-p1 set1 4 -3.68389663 -1.52462564 4.0225103 3.01058023 -14.27558454 -14.44288747 -0.01212705 4.08263015 -0.67767618 0.34747085 -0.45317813 -3.23839646 -13.0253136 0.78040529 -11.40004186 5.9159999999E-10 1.3229999999E-9 2.958E-9 6.615E-9 1.4789999999E-8 3.307E-8 7.395E-8 1.6539999999E-7 3.698E-7 8.268E-7 0.0000018489999999 0.000004134 0.000009244 0.00002067 0.000046219999999 16323-43-6 85983 144209674 A A 3,3'-(1,4-Phenylene)bis-2-propenoic acid O=C(O)C=Cc1ccc(C=CC(=O)O)cc1 Tox21_202476 -NCGC00015060-14 196703506 tox21-ror-cho-viability-p1 set1 2.4 60.7577547203 21.9020467959 -1.9020467959 20 4.4494702849 0.9357803318 0.0000329738 -2.74491455 -0.55469405 -2.57257913 -1.14516001 -2.64899145 -3.4374071 -0.8825667 -2.14290429 0.76744232 -3.66837233 -1.53784458 0.07729722 -2.48626414 1.15201621 16.8824963 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00260142-01 196703512 tox21-ror-cho-viability-p1 set1 4 -0.02007885 -2.06348758 -1.88228996 -4.20454369 -4.89617889 -4.04051583 -14.41517645 -7.11939626 -1.08755856 -8.17733332 -2.45258108 -6.57205714 -4.68005284 -1.35110653 -10.95039672 5.811E-10 1.299E-9 2.906E-9 6.497E-9 1.4529999999E-8 3.2489999999E-8 7.264E-8 1.6239999999E-7 3.632E-7 8.122E-7 0.000001816 0.000004061 0.00000908 0.0000203 0.0000454 10101-97-0 5284429 144209792 Nickel(II) sulfate hexahydrate O.O.O.O.[Ni+2].O.O.[O-]S([O-])(=O)=O Tox21_202594 -NCGC00260107-01 196703527 tox21-ror-cho-viability-p1 set1 4 0.0006691941 13.049908104 -13.549908104 -0.5 4.9549173134 0.560724351 0.1443801221 -9.62492342 -0.12177004 -1.16543917 2.1376793 -5.55077654 0 -0.5171603 -3.77833846 -0.67025311 2.89544817 -0.35303177 -0.19409876 0.90815147 -1.31804172 -6.53499061 5.906E-10 1.3209999999E-9 2.9529999999E-9 6.603E-9 1.476E-8 3.3009999999E-8 7.382E-8 1.651E-7 3.691E-7 8.253E-7 0.000001846 0.000004127 0.0000092279999999 0.000020629999999 0.000046139999999 142-91-6 8907 144209756 F Fns Hexadecanoic acid, 1-methylethyl ester CC(C)OC(=O)CCCCCCCCCCCCCCC Tox21_202558 -NCGC00094516-08 196704338 tox21-ror-cho-viability-p1 set1 4 0.32416628 1.7337161 1.61464869 -1.54339892 -6.00375083 0.19382311 0.08146113 -0.14933836 2.63630118 -0.71796923 -0.84687846 -0.41427482 2.74187362 3.16290989 0.35042355 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56-72-4 2871 170466302 F Coumaphos CCOP(=S)(OCC)Oc1ccc2c(c1)OC(=O)C(Cl)=C2C Tox21_111290_1 -NCGC00253643-01 196704340 tox21-ror-cho-viability-p1 set1 4 -0.57272766 0.65734961 1.18133093 0.8720962 0.65314215 0.40440528 0.8639669 0.69681119 2.01569412 0.71619468 -2.75790365 -0.35554859 0.6798827 3.42468698 2.58809828 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1620-98-0 73219 170466700 A A 3,5-Di-tert-butyl-4-hydroxybenzaldehyde CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C=O Tox21_113770 -NCGC00263548-01 196704359 tox21-ror-cho-viability-p1 set1 -2.4 0.3757803576 -30.028911164 5 -25.028911164 0.4 0.844095185 0.0026864095 1.71249211 1.32196388 -0.70871202 0.37507809 1.88804072 1.64312482 -4.9624317 -11.63340417 -18.18145797 -8.86775233 -11.07916444 -18.74962526 -16.04068279 -17.26099615 -25.85742597 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 18556-44-0 5388983 170464977 A VINBLASTINE SULFATE O=S(=O)(O)O.O=C(OC)[C@@]2(C[C@@H]4C[C@@](O)(CC)C[N@](CCc1c3ccccc3nc12)C4)c5cc9c(cc5OC)N(C)[C@@H]6[C@]98CCN7CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]6(O)C(=O)OC)[C@H]78 Tox21_112735_1 -NCGC00091830-04 196704360 tox21-ror-cho-viability-p1 set1 4 1.59358544 0.20586591 3.26431245 -0.09358462 0.88862649 -3.97103676 0.23236752 3.65642077 0.67383968 0.03548818 0.47773069 4.19403188 1.36299689 -0.0399943 3.41441767 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00167817-02 196704755 tox21-ror-cho-viability-p1 set1 4 3.12791505 -2.28596915 -1.40544445 0.20442494 -1.96467399 1.50952098 -0.02339505 0.40208924 6.72072206 1.38698556 -2.77932972 2.4181394 0.57869745 0.22881736 -5.46269083 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71119-11-4 51045 170466320 A Bucindolol N#Cc3ccccc3OCC(O)CNC(C)(C)Cc2cnc1ccccc12 Tox21_112588_1 -NCGC00164483-03 196704756 tox21-ror-cho-viability-p1 set1 4 -5.78064269 -8.51036401 -7.98636974 -2.49273436 -4.195354 -4.14796768 -1.53802719 -3.51300206 -4.90162631 -7.76740107 -1.87151296 0.07829053 -2.43423988 -1.42395746 -1.53215313 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 31386-24-0 178144 170466488 A Amindocate CN(C)CCOC(=O)c1cc2c(cc1)n(CCN(C)C)c(C)c2C Tox21_112125_1 -NCGC00091261-03 196704763 tox21-ror-cho-viability-p1 set1 4 48.5577336745 -13.4403205679 2 -11.4403205679 3.1319983358 0.3223802952 0.346587244 1.21951562 8.15838423 -1.43901828 0.89841618 -0.83743101 1.08619432 4.40973506 -2.05279979 0.77763301 -0.83689104 -2.10940094 16.36020462 -0.05321547 -3.30456589 -9.95026714 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00090910-03 196701876 tox21-ror-cho-viability-p1 set1 4 0.52961856 0.80094091 0.20859199 -0.67511511 4.5592604 1.2668422 8.15185786 5.54103659 9.23857727 -0.34957951 2.15693971 0.28025673 5.57418953 -0.09331514 1.38652571 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00357056-01 196724913 tox21-ror-cho-viability-p1 set3 -2.4 68.5896218971 -30.3086848119 -1 -31.3086848119 4.9549173134 0.7880088696 0.010144199 -0.70029527 -4.18603649 -7.12286566 -7.61099124 1.0395921 0.24786253 -2.86085812 2.8939067 -1.88709477 3.75028173 0.96655348 -0.38636727 1.75713923 -3.54829103 -25.67390401 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 75980-60-8 166480 251919940 F Diphenyl(2,4,6-trimethylbenzoyl)phosphine oxide O=P(C(=O)c1c(C)cc(C)cc1C)(c2ccccc2)c3ccccc3 Tox21_303757 -NCGC00357026-01 196724489 tox21-ror-cho-viability-p1 set3 4 61.130564862 -20.702422548 -0.5 -21.202422548 3.5722481694 0.4652015341 0.21022334 -11.01010646 0.10683554 -2.37224864 10.10639941 1.33969999 -1.89247317 0.24359237 -0.76993966 -2.29944601 2.00956198 2.95208589 -7.30053662 -0.0625544 -4.50588076 -17.25201879 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 716-79-0 12855 251919938 A 2-Phenylbenzimidazole c1cccc2nc(nc12)c3ccccc3 Tox21_303711 -NCGC00259818-01 196724909 tox21-ror-cho-viability-p1 set3 4 11.55514379 4.34247149 8.02556534 8.62458256 9.5057572 21.83725883 15.68870695 19.59724317 17.65474704 -4.94859879 4.2225406 -4.03571562 8.93971609 8.20671815 8.19142585 1.163E-9 2.601E-9 5.817E-9 1.301E-8 2.908E-8 6.5039999999E-8 1.454E-7 3.252E-7 7.2709999999E-7 0.0000016259999999 0.000003636 0.000008129 0.00001818 0.00004065 0.000090889999999 63-05-8 6128 144209467 A A 4-Androstene-3,17-dione O=C2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_202269 -NCGC00257306-01 196719421 tox21-ror-cho-viability-p1 set2 -2.4 61.130564862 -34.4503850093 -10.4166071479 -44.8669921572 2.2526478767 0.8251198322 0.0044885624 -10.95419283 -9.12423354 -9.00945424 -9.05390295 -14.60864385 -8.89737711 -7.65924022 -11.14045883 -11.43066395 -18.5094084 -8.85680776 -7.01383929 -15.6287203 -19.50452646 -35.12650921 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2467-02-9 75575 144213904 A A 2,2'-Bisphenol F Oc2ccccc2Cc1ccccc1O Tox21_303599 -NCGC00256790-01 196718993 tox21-ror-cho-viability-p1 set2 4 1.46632524 -0.16634983 1.38577047 -0.75890709 2.08518918 3.33659688 1.33702176 -0.16944636 2.44201541 5.43813001 1.81927158 4.28508632 4.51432218 -0.10192751 -0.91432125 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 622-62-8 12150 144213001 C A 4-Ethoxyphenol CCOc1ccc(O)cc1 Tox21_302684 -NCGC00256631-01 196719001 tox21-ror-cho-viability-p1 set2 4 -4.99516542 2.19444763 -2.29160636 -2.05993178 -4.96917732 -0.89647536 -3.35335702 -3.48003185 -0.88948524 -5.33973056 -3.20319566 -0.41981926 4.11680274 1.00070475 2.85557276 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 426-13-1 9878 144212910 A A Fluorometholone CC(=O)[C@@]4(O)CC[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3C[C@H](C)C1=CC(=O)C=C[C@@]12C Tox21_302593 -NCGC00256733-01 196719429 tox21-ror-cho-viability-p1 set2 4 2.4336516212 6.9398782239 -7.9398782239 -1 2.4063783767 0.7389278736 0.0233419514 -9.25806155 -6.37202418 -8.46627321 -5.69182189 -6.68746786 -9.20453966 -5.70693511 -11.19989852 -8.41778623 -5.1872299 -3.2493181 0.12797686 -3.21635931 2.00946741 -2.67059648 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47129 70917 144213024 Z F Methyl geranate O=C(C=C(C)CC\C=C(/C)C)OC Tox21_302707 -NCGC00256905-01 196719437 tox21-ror-cho-viability-p1 set2 4 -1.31458208 -3.97896672 -0.08162182 -1.79433823 -0.35547742 1.9097976 -1.36509435 1.58285729 0.4245057 -0.18550438 -0.55332106 1.61108453 -1.1453418 1.78773429 -5.01892635 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4128-17-0 638500 144213005 Ac F trans,trans-Farnesyl acetate CC(=O)OC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C Tox21_302688 -NCGC00016000-13 196719839 tox21-ror-cho-viability-p1 set3 -2.3 8.8372827984 -142.2341720133 3.3795963213 -138.854575692 0.5 0.9710414907 0.2551870215 0.58879585 -8.46572352 -1.87583711 1.27893468 2.45116651 -1.62758333 -11.58758558 -60.66122539 -4.61571228 -50.70834014 -58.9046868 -59.0556689 -75.58081352 -5.28254789 -110.2020442 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00091839-03 196719842 tox21-ror-cho-viability-p1 set3 4 1.3685428777 13.781646692 -4.281646692 9.5 3.6772481694 0.670508226 0.0630671687 -3.6624553 -9.81803891 -0.10310715 -7.81103652 -2.7893311 -2.34570587 -5.43191539 -2.38825726 -0.32402515 3.54128953 13.06337009 10.12148005 16.79804756 -0.94122121 -2.1008913 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00254247-01 196719849 tox21-ror-cho-viability-p1 set3 4 0.002730602 23.826715984 -24.826715984 -1 0.5 0.6644833981 0.0559653831 -15.18810261 -19.02226332 -5.18905777 -2.96758729 -7.96399547 -11.60228532 -1.55174717 -4.1680875 0.11424391 -2.55163044 -1.05071011 -1.53034662 -1.93071729 -2.38097359 1.95474381 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 828-00-2 13232 144210732 A Bc Dimethoxane O=C(C)OC1CC(C)OC(C)O1 Tox21_300414 -NCGC00254118-01 196719850 tox21-ror-cho-viability-p1 set3 4 15.21130686 3.99483734 16.05112346 13.55640159 -8.20900741 4.27404878 16.22520928 -4.76193573 -1.69900082 -1.21016048 14.28348922 15.25388537 13.38474858 15.02711036 1.78133963 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 95-63-6 7247 144210369 FNS 1,2,4-Trimethylbenzene Cc1cc(C)c(C)cc1 Tox21_300049 -NCGC00255370-01 196710268 tox21-ror-cho-viability-p1 set2 4 54.4826732819 -12.363553548 -2 -14.363553548 0.7999999999 0.6040569224 0.095881169 1.67769662 -1.77328319 -2.12765608 -0.19754369 -1.78092306 -6.89278703 -3.7870227 -2.54403704 -4.21712021 -3.13869066 -2.29882151 -3.10572941 -5.61290161 -7.23620092 -10.30296129 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 75706-12-6 3899 144212190 A A Leflunomide Cc2oncc2C(=O)Nc1ccc(cc1)C(F)(F)F Tox21_301873 -NCGC00256262-01 196709850 tox21-ror-cho-viability-p1 set2 4 5.13057513 -2.82365951 -1.72132374 0.51167122 -1.92846751 -0.26690254 -0.37325409 0.34589437 -1.55839261 -0.01340955 2.02908901 0.57961786 -2.65937985 1.50546421 3.45419426 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-19-5 67329 144211619 A A Bis(2-butoxyethyl) decanedioate O=C(OCCOCCCC)CCCCCCCCC(=O)OCCOCCCC Tox21_301302 -NCGC00163906-02 196709863 tox21-ror-cho-viability-p1 set2 4 0.16972017 5.21326825 3.21504515 0.2668733 4.66359895 1.52444336 -0.17959618 -0.29920166 1.38122308 -1.1215383 1.479478 -0.82195635 2.34081502 3.66473102 4.94483382 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00259280-01 196709685 tox21-ror-cho-viability-p1 set2 4 4.80230847 -1.72665115 1.8799524 2.47547303 -0.22882506 -0.4706969 1.0209825 0.23321386 -0.72616013 0.34067617 3.255908 4.15652978 5.67739427 6.14934135 4.3159736 1.2689999999E-9 2.8379999999E-9 6.345E-9 1.4189999999E-8 3.1719999999E-8 7.094E-8 1.5859999999E-7 3.547E-7 7.931E-7 0.0000017729999999 0.000003966 0.000008867 0.000019829999999 0.00004434 0.000099139999999 23135-22-0 31657 144208929 A A Oxamyl O=C(C(=N\OC(=O)NC)\SC)N(C)C Tox21_201731 -NCGC00255638-01 196710084 tox21-ror-cho-viability-p1 set2 4 1.58580939 0.95314195 -0.01839811 0.98949182 1.08474021 -1.1799444 2.30851469 -0.3501885 1.51063792 1.93986318 -0.54830813 -0.17451659 -0.53513469 1.40828435 5.04986026 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52304-36-6 104150 144212089 A A Ethyl 3-(N-butylacetamido)propionate O=C(CCN(CCCC)C(C)=O)OCC Tox21_301772 -NCGC00163903-03 196710088 tox21-ror-cho-viability-p1 set2 4 -3.93812868 0.90414209 -3.20680692 -1.35154744 -4.09768943 1.37028262 -1.52839207 -5.45458341 0.12746866 -0.1568297 2.44002018 0.46217937 -0.08972785 0.71915164 1.66221643 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00255808-01 196710107 tox21-ror-cho-viability-p1 set2 4 -3.82041957 -0.12518115 -0.41938097 0.15650046 3.78607906 -1.12366095 -3.14695004 0.23451921 0.58601002 -1.09588042 -1.69295002 -1.52826522 -1.26308045 2.74932985 -0.07652482 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59337-93-8 101012 144212297 A A Methyl 3-sulfamoylthiophene-2-carboxylate O=S(N)(=O)c1ccsc1C(=O)OC Tox21_301980 -NCGC00090986-03 196710508 tox21-ror-cho-viability-p1 set2 -3 69.008347349 -58.1230672969 0.5191763809 -57.603890916 4.9549173134 0.9229289879 0.0000851525 1.80156168 -0.73609607 -0.21854784 -0.72453665 -3.42498836 0.03337817 -1.36334005 0.95072246 -1.57593777 -0.65801148 -0.4905722 -0.82660797 5.82862479 6.80499376 -48.00324243 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00256162-01 196710516 tox21-ror-cho-viability-p1 set2 4 2.80608311 -0.87380212 0.51834898 -0.39160508 -0.56557772 -0.20404778 -0.00826101 1.471892 -1.11131103 0.27412048 2.05818432 -0.49829845 0.64981386 0.3384638 2.71855046 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5877-42-9 93012 144211785 A A 4-Ethyloct-1-yn-3-ol C#CC(O)C(CCCC)CC Tox21_301468 -NCGC00255367-01 196710520 tox21-ror-cho-viability-p1 set2 -1.1 4.3277125691 -74.7016196039 -0.8908894739 -75.5925090778 3.0654483358 0.9965029111 0 -1.51729946 -2.21359378 -0.91434408 1.09755948 -1.91333034 1.63476397 -0.31433678 -0.50543151 -4.22348076 -6.15285986 -25.90727243 -67.80914726 -77.27413077 -75.83975226 -72.92148159 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 64359-81-5 91688 144212726 A D 4,5-Dichloro-2-octyl-3(2H)-isothiazolone ClC=1SN(CCCCCCCC)C(=O)C=1Cl Tox21_302409 -NCGC00255626-01 196710925 tox21-ror-cho-viability-p1 set2 -1.2 9.6885416101 -64.6932014732 2.3837197365 -62.3094817367 0.9999999999 0.9845920259 1.04E-8 5.25396615 7.66816515 1.0966288 -0.14179688 0.76988478 1.3714348 0.53577164 -3.08036575 -2.14488235 -6.44811405 -15.75645746 -28.14691559 -36.8278349 -54.65744012 -54.09798584 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1154-59-2 14385 144212390 A B 3,5-Dichlorosalicyl-3,4-dichloroanilide Clc2ccc(NC(=O)c1cc(Cl)cc(Cl)c1O)cc2Cl Tox21_302073 -NCGC00357097-01 196711332 tox21-ror-cho-viability-p1 set2 -1.4 0.685896219 -28.9896225214 1.0893219839 -27.9003005375 0.3 0.3639789052 0.3058177825 -0.3820837 -11.52039247 -1.05979023 -7.49327937 -0.34223168 -1.19438889 -16.39443321 -13.39191542 -31.97330853 -1.3572953 -19.35900802 -7.78668117 -17.27276021 -35.31281306 -17.742945 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-28-2 6836 251919957 A 9-Ethylcarbazole CCn3c1ccccc1c2ccccc23 Tox21_303819 -NCGC00260648-01 196711348 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -21.623314648 2.5 -19.123314648 4.9549173134 0.8421704609 0.0028639802 2.19982142 -0.73712872 2.94986478 -0.46467192 -0.98655447 3.6861845 4.76589773 4.83353491 4.36155383 1.07226508 3.16362936 2.73791618 2.76186403 3.49002947 -15.93609554 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49544 144210301 M M NTP Mix89 ER AR1 18-EQP Tox21_203103 -NCGC00259538-01 196708467 tox21-ror-cho-viability-p1 set2 4 -26.40470151 2.2012776 4.7027049 4.0953539 9.14456484 4.73020312 6.33661152 6.96501544 6.11988683 8.60078184 5.53119929 7.96490592 0 6.99057855 1.39959356 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.4699999999E-7 3.2859999999E-7 7.3479999999E-7 0.000001643 0.000003674 0.0000082159999999 0.00001837 0.00004108 0.00009185 123-99-9 2266 144209187 A A Nonanedioic acid O=C(O)CCCCCCCC(=O)O Tox21_201989 -NCGC00259435-01 196708455 tox21-ror-cho-viability-p1 set2 4 -0.05977318 0.19185232 -2.63410905 -0.4332644 1.68749762 2.55501315 1.90123532 2.8838627 2.60689222 1.4067866 -0.04842414 -0.41903361 -0.30326194 0.10740165 0.39382197 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.6509999999E-8 1.487E-7 3.325E-7 7.436E-7 0.000001663 0.000003718 0.000008313 0.00001859 0.00004157 0.000092939999999 318-98-9 62882 144209084 A A Propranolol hydrochloride Cl.CC(C)NCC(O)COc2cccc1ccccc12 Tox21_201886 -NCGC00259798-01 196708457 tox21-ror-cho-viability-p1 set2 4 0.06411368 -0.05097857 1.35723003 -0.4617092 -0.88350704 -0.01025739 -0.43152775 0.4798869 1.15512377 0.94531691 1.94049546 1.6132722 0.70500866 0.55504356 0.55250986 1.202E-9 2.688E-9 6.0109999999E-9 1.344E-8 3.006E-8 6.721E-8 1.503E-7 3.36E-7 7.5139999999E-7 0.0000016799999999 0.0000037569999999 0.000008401 0.000018789999999 0.00004201 0.00009393 57-06-7 5971 144209447 D Allyl isothiocyanate C=CC\N=C=S Tox21_202249 -NCGC00260331-01 196711732 tox21-ror-cho-viability-p1 set2 4 0.510185557 -4.53178449 -4.80020664 -10.61735374 -5.45011288 -4.77757073 -17.86413405 -21.32380753 0 0 -24.76250861 -1.17320609 -17.01906611 -6.96546895 -33.86281827 -13.48461435 2.961E-10 6.62E-10 1.4799999999E-9 3.31E-9 7.4009999999E-9 1.655E-8 3.701E-8 8.275E-8 1.85E-7 4.137E-7 9.2519999999E-7 0.000002069 0.000004626 0.00001034 0.000023129999999 1313-27-5 14802 144209983 Molybdenum trioxide O=[Mo](=O)=O Tox21_202785 -NCGC00260448-01 196711322 tox21-ror-cho-viability-p1 set2 4 0.2231220447 -6.56385507 -5.6957519 -11.66151581 -8.29030845 -5.2281501 -17.79195134 -0.80611273 -5.44645348 -11.79673854 -16.89547226 0.71986658 -14.93608403 0 -39.54419971 -14.97090248 1.183E-9 2.645E-9 5.913E-9 1.322E-8 2.9569999999E-8 6.611E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.0000082639999999 0.00001848 0.00004132 0.0000924 81-48-1 6680 144210100 Ac Ac D&C Violet 2 Cc1ccc(cc1)Nc4ccc(O)c3c4C(=O)c2ccccc2C3=O Tox21_202902 -NCGC00260024-01 196711326 tox21-ror-cho-viability-p1 set2 4 -1.96968147 -6.68982229 -4.71595399 -7.313501 -0.32512449 -15.52425084 -2.73870861 -6.41879374 -23.12722336 -9.76558211 -18.79004833 -3.95536621 2.88522932 -5.70459108 -15.79742316 1.252E-9 2.8E-9 6.2599999999E-9 1.4E-8 3.13E-8 6.999E-8 1.565E-7 3.5E-7 7.8249999999E-7 0.00000175 0.000003913 0.000008749 0.00001956 0.00004374 0.00009782 67-63-0 3776 144209673 FC Isopropanol CC(C)O Tox21_202475 -NCGC00357238-01 196711726 tox21-ror-cho-viability-p1 set2 2.4 33.4914596268 23.1067561959 -1.6067561959 21.5 4.9549173134 0.8507860579 0.0022175179 -7.17229683 -2.26865546 -0.25673756 -2.91968983 0.45621809 -1.383881 -0.89856494 -1.40953117 -4.67349609 -1.04364999 0.46004241 0.08450915 0.01270982 -0.20470106 17.46162288 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 99129-21-2 6444391 251919717 Clethodim CC/C(=N\OC\C=C\Cl)C1=C(O)CC(CC(C)SCC)CC1=O Tox21_304029 -NCGC00260251-01 196711741 tox21-ror-cho-viability-p1 set2 4 -0.52992294 1.55920739 1.69797935 1.4680167 4.83245396 5.55545672 7.27369058 8.41383965 6.511538 4.46703613 8.43728603 2.48526301 4.66949113 1.71953868 -0.40623029 1.185E-9 2.651E-9 5.927E-9 1.325E-8 2.9629999999E-8 6.627E-8 1.482E-7 3.3129999999E-7 7.409E-7 0.000001657 0.000003704 0.0000082829999999 0.00001852 0.00004142 0.00009261 345984-11-4 44717198 144209901 A A 1-Butyl-1-methylpyrrolidinium tetrafluoroborate CCCC[N+]1(C)CCCC1.F[B-](F)(F)F Tox21_202703 -NCGC00260202-01 196711744 tox21-ror-cho-viability-p1 set2 4 54.9262221145 19.5402483199 -0.5402483199 19 3.9899729863 0.9141693386 0.0001506489 -2.07027786 0.2068 -0.87023418 1.29438167 -1.66491056 -0.01523359 -0.25573763 2.99803063 -2.1168736 -0.34832291 -0.15550258 -1.66335567 -1.78328185 4.72194293 16.62759511 1.188E-9 2.657E-9 5.942E-9 1.3289999999E-8 2.971E-8 6.6429999999E-8 1.4849999999E-7 3.321E-7 7.427E-7 0.0000016609999999 0.000003714 0.000008304 0.00001857 0.00004152 0.00009284 119171-18-5 12971008 144209852 A A 1-Methyl-3-propylimidazolium iodide [I-].C[n+]1ccn(CCC)c1 Tox21_202654 -NCGC00260381-01 196712141 tox21-ror-cho-viability-p1 set2 -3 0.5492622211 -38.6702991271 -3 -41.6702991271 4.9549173134 0.8744353946 0.0214512412 1.15824099 -1.02238084 -4.34135504 -12.16309128 -3.88387142 0 0 -5.21845125 -34.59871146 -8.75840041 -6.01101458 -6.08885084 -0.54096514 -3.11241882 5.02748771 1.188E-9 2.657E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016599999999 0.000003713 0.000008302 0.00001856 0.000041509999999 0.00009282 492-94-4 68119 144210033 A A Ethanedione,di-2-furanyl- O=C(C(=O)c1ccco1)c2ccco2 Tox21_202835 -NCGC00091643-08 196712145 tox21-ror-cho-viability-p1 set2 -3 19.3311819617 -57.9507737092 -3.785185292 -61.7359590012 0.9999999999 0.5614552422 0.1589031676 -0.40129011 0.5808591 -1.41287923 1.08218701 0.94550892 -5.72509467 -11.55515988 -8.05751867 -12.24398386 -13.56549124 -15.00793047 0 -46.76966591 -8.6903024 -33.90564428 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00357260-01 196712146 tox21-ror-cho-viability-p1 set2 4 -4.81468403 -5.05727552 -6.48679109 -5.75717034 -9.94546936 -17.55319936 -6.43987576 -6.19226579 -7.46991598 -2.77696687 -9.53632457 0.32981279 -10.68636439 3.27477783 -2.11386709 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16529-56-9 27909 251919687 Ac 2-Methyl-3-butenenitrile C=CC(C)C#N Tox21_303720 -NCGC00357101-01 196712147 tox21-ror-cho-viability-p1 set2 4 0.273060203 -11.98186376 0.5 -11.48186376 1.21 0.7692365876 0.0190465283 0.83008804 1.88308039 -0.89101182 -0.26161581 0.80801521 -1.09507791 -9.02845662 0 -9.3840093 -12.15758916 -14.5682198 -11.66647007 -10.79552169 -7.84179465 6.91618427 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 462-95-3 10024 251919903 Fns Diethoxymethane CCOCOCC Tox21_303824 -NCGC00260167-01 196724621 tox21-ror-cho-viability-p1 set3 4 0.0274449232 6.60560448 -4.10560448 2.5 2.3531167061 0.5249710334 0.157661286 -0.75909462 -2.26865311 -11.7546704 -0.39597466 -0.63680339 1.03987176 1.19977596 3.35813776 1.89780761 4.50724991 0.27638695 1.10050763 3.27081291 2.40450027 6.02853113 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.961E-8 6.622E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001655 0.000003702 0.0000082769999999 0.00001851 0.00004139 0.00009254 174899-66-2 2734246 144209817 A A 1-Butyl-3-methylimidazolium trifluoromethanesulfonate CCCCn1cc[n+](C)c1.FC(F)(F)S([O-])(=O)=O Tox21_202619 -NCGC00249417-02 196697726 tox21-ror-cho-viability-p1 set1 4 -0.22003987 5.3052974 -0.46189304 -0.70704237 -0.58289423 0.33235237 0.52174927 2.61627629 1.33153926 -4.48159278 0.9993149 3.71122728 -0.44129797 2.53551699 -0.79055091 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 254877-67-3 213037 170466340 A Ataciguat O=S(=O)(Nc3ccc(Cl)cc3C(=O)Nc1ccc(cc1)S(=O)(=O)N2CCOCC2)c4ccc(Cl)s4 Tox21_113203_1 -NCGC00260507-01 196723882 tox21-ror-cho-viability-p1 set3 4 0.2460900836 -6.1517689559 4.5 -1.6517689559 4.9549173134 0.3479155098 0.3224422555 3.67060989 6.25497448 6.39321295 -7.62647413 5.17912095 7.16964629 11.87580894 -5.42403036 0.69811276 -1.44246998 0.22593635 -1.21165854 -2.42326318 -2.21033761 -1.92654395 1.191E-9 2.663E-9 5.954E-9 1.331E-8 2.977E-8 6.657E-8 1.489E-7 3.3279999999E-7 7.4429999999E-7 0.0000016639999999 0.000003721 0.0000083209999999 0.00001861 0.000041609999999 0.00009303 10373-78-1 25208 144210159 Ac Fc (+)Camphorquinone CC2(C)C1CCC2(C)C(=O)C1=O Tox21_202961 -NCGC00017257-14 196697710 tox21-ror-cho-viability-p1 set1 4 29.8492948118 -14.48512908 1.5 -12.98512908 2.6384283767 0.7829423964 0.0114126367 0.86195466 4.1504353 4.8575675 1.88687721 0.44937197 0.31377303 0.8052235 -0.57669812 0.08133271 2.31634039 0.10473014 0.37546073 0.10473607 -2.43467907 -9.5709409 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17692-51-2 28693 170466571 A Metergoline O=C(OCc1ccccc1)NC[C@@H]3C[C@@H]4c5cccc2c5c(cn2C)C[C@H]4N(C)C3 Tox21_110808_1 -NCGC00091146-08 196697721 tox21-ror-cho-viability-p1 set1 4 14.9600854925 -12.4445289759 -1.09668544 -13.5412144159 1.6258976909 0.9477460485 0.0000110514 -1.57750812 -2.25941136 -0.59183931 -1.54768842 -1.82258679 -1.70561015 -0.0805712 -0.98128847 -1.02596047 -1.90991396 -0.56337514 -1.81240287 -6.36979136 -8.14046052 -12.11767868 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 92-84-2 7108 170466563 A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_111090_1 -NCGC00166139-03 196697728 tox21-ror-cho-viability-p1 set1 4 0.0008412674 12.885374116 -13.385374116 -0.5 2.5884283767 0.5182570488 0.1643524887 -9.90447843 -3.17736381 -1.13781797 -3.29529125 -0.11617599 3.26975604 -0.94047104 -0.06955021 -0.66330043 -3.00597043 -2.05374035 -4.54194332 -2.1792998 0.65138317 4.42604083 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1083-57-4 14130 170465885 A 3-Hydroxy-4-butyrophenetidide CCOc1ccc(cc1)NC(=O)CC(C)O Tox21_112334_1 -NCGC00163903-03 196698147 tox21-ror-cho-viability-p1 set1 4 -4.80797356 -3.92122931 0.14260678 2.26957247 -3.0526104 1.06313901 1.56760952 -1.43630535 -1.73027429 -1.35938312 -3.01349697 -1.79183224 0.60658792 -4.67531025 -0.1752654 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00183844-01 196698541 tox21-ror-cho-viability-p1 set1 4 0.54670664 -0.03002163 0.9949023 -0.86060225 -2.55597656 -1.05335498 -3.78645855 -2.11175231 1.18468695 -2.07572388 -0.95416004 -4.6328194 -5.96070412 0.72979076 -1.83855585 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127254-12-0 44341259 144206881 A A Sitafloxacin hydrate N[C@H]2CN(CC12CC1)c3c(F)cc4c(c3Cl)[N@@](C=C(C4=O)C(=O)O)C5C[C@H]5F Tox21_113330 -NCGC00018099-09 196698551 tox21-ror-cho-viability-p1 set1 4 -2.8311099 -2.20278139 0.22413086 -3.48149927 0.57233997 -1.34941914 -0.91591249 0.15847819 0.15634135 -4.5946543 0.14920038 -2.11023376 -0.77642692 -2.01960851 -2.30498605 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 479-18-5 3182 170465316 A Dyphylline OCC(O)Cn2cnc1c2C(=O)N(C)C(=O)N1C Tox21_110444_1 -NCGC00165864-04 196698556 tox21-ror-cho-viability-p1 set1 4 -0.29918711 -3.12508338 -4.51808552 -4.28646441 -5.84598987 -5.17222375 -0.1252049 -3.70494419 -0.85889104 -0.45203615 0.73285455 0.62014395 -4.47938071 0.08039117 0.74658594 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2448-68-2 11705034 170465949 A Pipamperone dihydrochloride Cl.Cl.Fc1ccc(cc1)C(=O)CCCN2CCC(CC2)(C(N)=O)N3CCCCC3 Tox21_112266_1 -NCGC00166232-02 196723485 tox21-ror-cho-viability-p1 set3 4 47.307944147 34.980958564 3.019041436 38 0.7999999999 0.5695184621 0.1197758377 1.80344446 4.372657 0.52619922 3.37243177 7.71107346 1.87997913 3.64013988 -2.06746547 7.70304358 10.8594573 8.5597509 8.69535325 0.28530365 10.52764067 28.93343046 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 140-39-6 8797 170466885 F 4-Tolyl acetate O=C(C)Oc1ccc(C)cc1 Tox21_112361_1 -NCGC00016285-05 196723079 tox21-ror-cho-viability-p1 set3 4 33.4914596268 30 4 34 0.7 0.3971957577 0.2743052031 6.74867793 1.66988428 1.70010986 3.53819106 18.12507236 3.65039595 4.81356492 0.68830973 15.39931294 3.99557796 9.80328401 12.21924051 3.56902717 13.38737674 28.02215865 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63-74-1 5333 170464653 A Sulfanilamide Nc1ccc(cc1)S(=O)(N)=O Tox21_110351_1 -NCGC00274082-01 196723080 tox21-ror-cho-viability-p1 set3 4 0.1059092946 -9.003916748 5.5 -3.503916748 4.9549173134 0.4871313095 0.2069003987 -0.41336492 -1.68275797 11.17050622 -0.38870941 11.20889131 12.18528702 5.5447394 -4.26733886 -0.35283177 -6.49235095 -1.2487566 -8.33659729 -1.57889242 -2.34088813 13.28798881 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 151-21-3 3423265 170465474 F Sodium dodecyl sulfate [Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC Tox21_111059_1 -NCGC00259354-01 196724827 tox21-ror-cho-viability-p1 set3 -2.4 48.0643456406 -33.306978304 -0.5 -33.806978304 2.4063783767 0.8103927176 0.0063528227 -3.47001023 -3.55917057 4.51262147 3.73996953 -6.07264016 -4.42709454 7.29866811 -1.28373067 -1.00143194 -2.94630783 2.03592654 -3.42753098 -1.89460896 -14.0305467 -28.17248192 1.1699999999E-9 2.615E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.538E-8 1.462E-7 3.269E-7 7.31E-7 0.000001635 0.0000036549999999 0.000008173 0.00001828 0.000040869999999 0.00009138 57-97-6 6001 144209003 B C 7,12-Dimethylbenz(a)anthracene Cc2c1c4ccccc4ccc1c(C)c3ccccc23 Tox21_201805 -NCGC00260627-01 196724416 tox21-ror-cho-viability-p1 set3 4 26.6032120037 14.233035324 -4.233035324 10 1.8579476909 0.5032684281 0.17641964 -4.73594141 -8.09598445 -8.24838678 -9.36086277 -6.2149215 0.59225989 -1.44897548 -2.96584338 -3.21201136 -4.65279541 0.86425112 -6.55360661 -0.12923141 -0.35349976 7.36912389 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49523 144210280 M M NTP Mix103 ER1 10-EQC Tox21_203082 -NCGC00260448-01 196724421 tox21-ror-cho-viability-p1 set3 4 0.0244107821 5.5357652639 -3.5357652639 2 4.9549173134 0.4371560379 0.2383075654 -8.36313772 0.66680014 -0.07677699 -6.50359285 0.73069062 1.76508825 3.03227756 1.27147445 4.83890547 -1.11747622 2.54505702 2.55126693 -2.67616307 3.82626493 3.03762562 1.183E-9 2.645E-9 5.913E-9 1.322E-8 2.9569999999E-8 6.611E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.0000082639999999 0.00001848 0.00004132 0.0000924 81-48-1 6680 144210100 Ac Ac D&C Violet 2 Cc1ccc(cc1)Nc4ccc(O)c3c4C(=O)c2ccccc2C3=O Tox21_202902 -NCGC00091499-05 196724422 tox21-ror-cho-viability-p1 set3 4 0.0068589622 11.57498306 -12.07498306 -0.5 1.78848746 0.5062034202 0.1733066692 -11.2846404 -11.72915255 -4.7449922 -6.99811655 1.90390352 1.63643267 0.41975397 2.48011016 1.05841658 -4.27304152 0.70863106 0.61563501 -6.53649636 -8.64242421 4.98235273 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00260441-01 196724824 tox21-ror-cho-viability-p1 set3 4 49.4479375051 -17.8474763999 1.5 -16.3474763999 1.752947691 0.6379861528 0.0717896959 -3.53056181 -5.83819185 0.75760737 0.13016463 2.69275306 3.60940524 1.82101195 3.22713162 5.42743309 3.54010153 2.68607998 2.23117312 -2.74624489 -5.3564446 -12.372897 1.198E-9 2.679E-9 5.991E-9 1.34E-8 2.995E-8 6.698E-8 1.4979999999E-7 3.3489999999E-7 7.4889999999E-7 0.000001675 0.000003744 0.000008373 0.000018719999999 0.000041859999999 0.000093609999999 101-70-2 7571 144210093 A B 4,4'-Dimethoxydiphenylamine COc2ccc(Nc1ccc(OC)cc1)cc2 Tox21_202895 -NCGC00260637-01 196724836 tox21-ror-cho-viability-p1 set3 4 2.31876045 6.31882045 0.52497585 -8.05693131 -0.65644247 0.80375236 0.0027146 1.93395012 -4.03635449 2.14870027 2.37471668 0.54752011 -2.16718097 -0.49163535 2.50805921 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49533 144210290 M M NTP Mix113 ER1 10-EQC Tox21_203092 -NCGC00357216-01 196724847 tox21-ror-cho-viability-p1 set3 4 -6.54369013 -2.36271302 -6.33818098 -0.65481854 2.07436912 3.50978765 2.78576326 7.30038655 -0.55458063 -2.04230791 -0.29435881 -4.58190622 -2.57328291 -4.51674056 4.68080536 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24683-00-9 32594 251919890 A 2-Isobutyl-3-methoxypyrazine COc1nccnc1CC(C)C Tox21_303996 -NCGC00255905-01 196728250 tox21-ror-cho-viability-p1 set3 -3 61.130564862 -42.0029751102 0.325680377 -41.6772947332 4.5044702849 0.9111689321 0.0001773502 3.80947648 -4.91280253 -2.53086711 -0.35762078 -0.6664091 -1.83900776 5.88820041 -3.17077745 -1.26819322 3.18803135 1.69889441 -0.23908835 3.11117648 -5.92476007 -35.85499582 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-89-6 2735045 144211528 Fns Potassium ethyl xanthate [K+].[S-]C(=S)OCC Tox21_301211 -NCGC00255588-01 196727838 tox21-ror-cho-viability-p1 set3 4 1.1125456367 6.4700912279 -2.4700912279 4 4.9549173134 0.4101401169 0.2800006317 -0.52401786 -5.51818323 -7.89174269 -0.93782207 -2.60052744 3.92919457 2.03803453 -0.043265 -4.46970436 -6.59152321 5.83655863 5.86292886 3.89280858 1.2164117 0.41924174 5.073E-10 1.134E-9 2.536E-9 5.6719999999E-9 1.268E-8 2.8359999999E-8 6.341E-8 1.418E-7 3.171E-7 7.0889999999E-7 0.0000015849999999 0.000003545 0.000007926 0.00001772 0.00003963 210631-68-8 11302979 144212758 A A Topramezone Oc1n(C)ncc1C(=O)c3ccc(c(C=2CCON=2)c3C)S(C)(=O)=O Tox21_302441 -NCGC00255949-01 196727839 tox21-ror-cho-viability-p1 set3 4 5.4482673282 8.412737748 -4.412737748 4 4.9549173134 0.3632067951 0.3234840196 0.25339764 -3.81006785 0.12222571 -2.99948082 -7.40749322 -10.43527911 -10.76061479 -1.42400276 -5.9985479 0.63794546 -9.20020892 10.43977804 4.95175527 -2.18216124 -5.78742541 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2654-57-1 98282 144212359 B C 4-Methyl-1-phenylpyrazolidin-3-one O=C1NN(CC1C)c2ccccc2 Tox21_302042 -NCGC00256039-01 196728243 tox21-ror-cho-viability-p1 set3 4 -0.93280782 0.55518837 3.08416427 1.71460941 5.20204098 3.96188688 1.47993703 2.77887199 4.91905614 4.6607097 4.37273301 -4.24059142 -1.04298152 1.63148679 2.09458049 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 70321-85-6 23674215 144212217 A A Potassium 4-[(3-oxobutanoyl)amino]benzenesulfonate [K+].O=S([O-])(=O)c1ccc(NC(=O)CC(C)=O)cc1 Tox21_301900 -NCGC00091380-04 196728256 tox21-ror-cho-viability-p1 set3 4 0.0968854161 7.5214358239 -3.0214358239 4.5 3.9899729863 0.4210234395 0.2521298923 3.89675718 -2.7055356 -3.09378771 -8.35119652 -1.85738752 -6.94322956 10.22948774 -1.14872823 9.76477352 3.17107109 7.07067709 4.33723444 4.63426757 -0.40914248 2.12172174 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00254381-01 196719999 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -128.8659484745 1.6512884321 -127.2146600424 4.9549173134 0.986373797 5.1E-9 3.8884519 -3.02389711 3.54506583 3.28987301 -0.31260997 1.80801234 -1.21262727 6.53155171 6.6593426 1.38794352 -0.6724371 -2.03764066 0.18290092 -2.80348815 -103.42655288 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 676116-04-4 9984487 144210755 A A PD 0343701 CS(=O)(=O)O.Cc2cc(cc1c2NC(=O)CC1(C)C)CCN3CCN(CC3)c5nsc4ccccc45 Tox21_300437 -NCGC00257527-01 196719584 tox21-ror-cho-viability-p1 set3 4 4.80614364 -2.80722245 8.90204642 -9.92329638 7.61751177 3.0911265 -0.85611496 6.33292101 -0.02202619 4.92935604 0.32504817 0.88519013 2.26315034 0.33346461 3.61373765 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 118-93-4 8375 144211436 A Ac 2-Hydroxyacetophenone O=C(C)c1ccccc1O Tox21_301119 -NCGC00090885-03 196719992 tox21-ror-cho-viability-p1 set3 4 0.0121971512 16.131244216 -16.631244216 -0.5 0.5 0.8070159715 0.0097587401 -12.45956349 -13.85937018 -8.22406632 -4.39288174 -10.4346319 -7.12074014 -3.35306203 -3.6378166 -0.59567649 -0.68114007 -0.89077017 0.41860631 -2.49216715 -2.4915239 -9.82992541 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00254513-01 196720001 tox21-ror-cho-viability-p1 set3 4 5.41481944 2.08992071 1.62936146 3.93324255 5.9693737 7.30044483 -7.39465185 10.13234942 9.0374732 5.72594691 5.59681688 0.13568297 1.06373842 9.05365678 4.52882883 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 214535-77-0 10407399 144210760 A A CP-457677 CC(C)(O)c1ccc(cc1)CNC(=O)c3cccnc3Oc2ccc(F)cc2 Tox21_300442 -NCGC00254388-01 196720008 tox21-ror-cho-viability-p1 set3 4 45.0775228087 -27.8254947079 5 -22.8254947079 3.2974983358 0.534378366 0.1483801526 7.90704842 8.79941438 7.45150803 18.95858439 -0.01064597 4.540766 0 0.39185126 -1.70466944 7.7880164 2.89994833 4.8173102 -0.51713 -0.13291249 -16.52124559 8.3169999999E-10 1.86E-9 4.159E-9 9.299E-9 2.079E-8 4.6489999999E-8 1.0399999999E-7 2.325E-7 5.198E-7 0.0000011619999999 0.000002599 0.000005812 0.000013 0.000029059999999 0.00006498 789-02-6 13089 144210939 A A o,p'-DDT Clc2ccccc2C(c1ccc(Cl)cc1)C(Cl)(Cl)Cl Tox21_300622 -NCGC00254699-01 196720009 tox21-ror-cho-viability-p1 set3 4 27.3060203028 -30.879506164 9.5 -21.379506164 1.111 0.891334014 0.0004876444 11.29232383 11.22408246 10.21111516 14.36766484 9.43136504 2.75755198 9.00619238 10.7055079 5.06742692 8.81850409 5.01858712 2.94730627 0.5218341 -10.20451584 -16.14958847 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 114369-43-6 86138 144211112 A A Fenbuconazole Clc3ccc(CCC(Cn1cncn1)(C#N)c2ccccc2)cc3 Tox21_300795 -NCGC00258189-01 196716249 tox21-ror-cho-viability-p1 set2 4 0.0188994981 5.455835844 -5.455835844 0 4.9549173134 0.4680994788 0.2097412124 -1.38779619 -3.98717373 -8.29652987 -8.27003378 2.28713445 -1.38439546 -2.6012585 -3.55902556 -0.94188628 1.74490856 2.42890102 0.98198583 -2.18476539 0.95046178 0.21987408 1.158E-9 2.589E-9 5.79E-9 1.2949999999E-8 2.8949999999E-8 6.473E-8 1.447E-7 3.2369999999E-7 7.237E-7 0.000001618 0.000003619 0.000008091 0.000018089999999 0.00004046 0.000090469999999 110-61-2 8062 144207833 A A Succinonitrile N#CCCC#N Tox21_200635 -NCGC00258055-01 196715837 tox21-ror-cho-viability-p1 set2 -2.4 48.5083571201 -40.403395452 2 -38.403395452 1.5094870999 0.94909939 0.0000093021 2.03553253 6.37105473 0.77693938 0.18356696 2.56871025 5.36308991 0.22928618 3.29328044 0.46949248 1.75645022 0.16656488 -3.05578064 -5.12841306 -13.75309394 -28.66949621 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.947E-8 6.591E-8 1.474E-7 3.295E-7 7.368E-7 0.000001648 0.000003684 0.000008238 0.00001842 0.00004119 0.00009211 4247-02-3 20240 144207699 A A Isobutylparaben Oc1ccc(cc1)C(=O)OCC(C)C Tox21_200501 -NCGC00257692-01 196715839 tox21-ror-cho-viability-p1 set2 4 9.7970226882 -11.1175873239 2.5 -8.6175873239 1.9673362061 0.8056808075 0.0071237068 1.90205103 2.53063548 3.02601019 3.0433263 5.12362038 0.1021783 1.75392613 0.84546789 3.90006259 1.07217392 -1.32067548 1.5990566 -8.92205137 -9.68132277 -6.05789432 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.33E-7 7.446E-7 0.000001665 0.0000037229999999 0.000008324 0.00001861 0.00004162 0.000093069999999 2213-63-0 16659 144207336 B 2,3-Dichloroquinoxaline Clc1nc2ccccc2nc1Cl Tox21_200138 -NCGC00094521-05 196716247 tox21-ror-cho-viability-p1 set2 4 3.3941293 3.30599846 -0.27491876 1.57952318 3.34097192 -1.00966432 3.27848319 -1.49968651 0.57372994 -1.53103608 5.19263273 2.87315402 2.22481262 1.80861467 -1.97499381 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00257873-01 196716250 tox21-ror-cho-viability-p1 set2 -2.1 6.8380418669 -98.5106490062 -3.344579713 -101.8552287192 4.9549173134 0.8275426509 0.0134295681 -1.73688523 -1.47297428 0.6887033 -2.69563085 1.28274507 -32.57278308 -3.01518203 -0.38243845 -1.01858777 1.26585993 0.95019645 -77.16305206 -1.36603696 -1.37644775 0.75001007 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.0000016459999999 0.00000368 0.000008228 0.000018399999999 0.000041139999999 0.000091989999999 4938-72-1 21058 144207517 A A Isobutyl (2,4,5-trichlorophenoxy)acetate Clc1cc(OCC(=O)OCC(C)C)c(Cl)cc1Cl Tox21_200319 -NCGC00258639-01 196716258 tox21-ror-cho-viability-p1 set2 -3 70.4772133895 -66.2699806476 1.6432060679 -64.6267745797 4.9549173134 0.983112326 1.78E-8 2.70230066 3.67519484 -1.4908832 5.05113691 3.56068567 2.78099429 -0.10334612 2.84338958 1.21916815 2.66385542 -1.01045389 0.60134762 0.75112951 -2.764319 -52.08474173 1.2069999999E-9 2.6979999999E-9 6.034E-9 1.349E-8 3.017E-8 6.746E-8 1.5079999999E-7 3.373E-7 7.5419999999E-7 0.000001687 0.0000037709999999 0.0000084329999999 0.00001886 0.000042159999999 0.00009428 110-82-7 8078 144208285 FNS Cyclohexane C1CCCCC1 Tox21_201087 -NCGC00260279-01 196711359 tox21-ror-cho-viability-p1 set2 -2.4 2.122944941 -50.3199443989 -3.7143890219 -54.0343334208 3.9294729863 0.8972575001 0.0580981633 -2.31202184 -4.89147298 -3.65389515 -3.68335329 0.42648349 -9.96909923 -14.22268899 -0.12363572 -33.65164313 0.85812624 -8.90507701 0 0 -21.04743607 -56.28576398 5.38E-11 1.203E-10 2.6899999999E-10 6.015E-10 1.345E-9 3.007E-9 6.7239999999E-9 1.5039999999E-8 3.3619999999E-8 7.5179999999E-8 1.681E-7 3.7589999999E-7 8.4059999999E-7 0.0000018799999999 0.000004203 2439-10-3 17110 144209929 Fns Dodine CC(=O)O.N=C(N)NCCCCCCCCCCCC Tox21_202731 -NCGC00260575-01 196711366 tox21-ror-cho-viability-p1 set2 -1.2 1.333319023 -22.8854892393 -3.5 -26.3854892393 4.9549173134 0.7522901615 0.0244285075 -3.51081434 -1.77588373 -10.33749365 -5.20294649 -3.19049825 0 0 -11.60575902 0 -0.30557229 -27.17973791 -35.75062723 -14.4678778 -24.57359241 -1.78486292 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49471 144210228 M M NTP Mix39 CT1 2-EQP Tox21_203030 -NCGC00260160-01 196711368 tox21-ror-cho-viability-p1 set2 2.4 54.3164972511 35.04629468 -1.04629468 34 1.752947691 0.8800854283 0.0007887196 -0.96954078 4.6754308 -0.76233874 -3.03133315 -1.79159159 0.2348758 -4.21990471 -3.31053781 -0.34267413 -5.0385789 3.96364137 -0.05750557 5.02664391 11.0304993 25.0473643 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.3529999999E-7 0.0000016439999999 0.0000036769999999 0.000008221 0.000018379999999 0.00004111 0.00009192 2179-59-1 16591 144209810 Z Fc Allyl propyl disulfide CCCSSCC=C Tox21_202612 -NCGC00257823-01 196711378 tox21-ror-cho-viability-p1 set2 4 1.7509648006 36.5913972319 -14.5913972319 22 0.2 0.6006711626 0.0963693347 -17.57616436 -1.45544861 -2.46161392 -1.50257759 -0.41207917 -0.50605467 0.35136494 -3.50524337 -0.19644318 0.76427659 7.25060825 7.77788072 -2.33994273 12.98434247 15.81758304 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.0000016719999999 0.0000037379999999 0.000008358 0.00001869 0.00004179 0.00009344 102-08-9 700999 144207467 A A Thiocarbanilide S=C(Nc1ccccc1)Nc2ccccc2 Tox21_200269 -NCGC00260551-01 196711382 tox21-ror-cho-viability-p1 set2 4 2.9849294812 -21.040418044 -7.501411976 -28.54183002 0.4 0.4307928417 0.2593620122 -4.93937223 -5.95817607 -15.9027499 -9.71400956 -11.54464577 -14.56170657 -15.2936399 -5.86804456 -4.58450998 -21.96376108 -13.0755354 -22.32719055 -23.78485835 -18.50755547 0.15459541 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49447 144210204 M M NTP Mix59 CT1 62-EQP Tox21_203006 -NCGC00356953-01 196711776 tox21-ror-cho-viability-p1 set2 4 2.9081026162 -9.9078134119 2.5 -7.4078134119 4.9549173134 0.451972407 0.2400388901 -1.68770699 1.52080967 2.92982527 3.64924419 0.40581532 -1.6891358 1.67380331 4.62732284 3.6142905 5.6288494 6.70675648 5.13440993 -14.08984451 -1.04253209 -2.1715101 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 147526-32-7 60196288 251919808 Ac Pitavastatin calcium [Ca+2].[O-]C(=O)C[C@H](O)C[C@H](O)/C=C/c3c(c1ccc(F)cc1)c4ccccc4nc3C2CC2.[O-]C(=O)C[C@H](O)CC(O)/C=C/c1c(c3ccccc3nc1C2CC2)c4ccc(F)cc4 Tox21_303926 -NCGC00090986-03 196711782 tox21-ror-cho-viability-p1 set2 4 69.008347349 -13.695179664 1 -12.695179664 4.9549173134 0.4019795045 0.2709741198 1.41766575 -2.36103866 0.41334944 1.12686697 0.16610544 9.56371269 1.25556753 -0.22864939 8.08335497 -0.12020645 -0.0225136 0.28417394 -4.76030079 1.66860504 -10.16264972 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.000041429999999 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00255322-01 196700163 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -11.203846288 1.5 -9.703846288 4.9549173134 0.5270872925 0.1572283801 2.08199123 2.44517849 -0.80512921 -1.779963 0.98966742 -0.26152435 2.44759028 5.14719929 3.93046733 3.41201876 -0.44172879 -1.61358372 1.12932529 2.65506054 -7.25320524 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51632-16-7 94544 144211960 F A 1-(Bromomethyl)-3-phenoxybenzene BrCc2cc(Oc1ccccc1)ccc2 Tox21_301643 -NCGC00254755-01 196699761 tox21-ror-cho-viability-p1 set1 4 -0.56498495 -0.9276419 -0.98980271 1.93776133 0.06066351 -4.14754646 -0.46345942 0.85109635 1.73827792 -0.89761876 1.84605418 1.33842476 0.07153688 1.12211435 0.59840337 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 188489-07-8 3083546 144211169 A A Flufenpyr-ethyl O=C(OCC)COc1cc(c(F)cc1Cl)N2N=CC(=C(C)C2=O)C(F)(F)F Tox21_300852 -NCGC00255881-01 196700157 tox21-ror-cho-viability-p1 set1 4 -1.82156507 1.85006657 3.06760657 0.71425663 -0.20677919 2.4844401 1.34083348 -1.20932364 2.63972764 3.40626051 -1.77599115 0.5773631 0.817027 2.40815603 -2.01176757 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26399-36-0 33500 144211883 A A Profluralin CCCN(CC1CC1)c2c(cc(cc2[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Tox21_301566 -NCGC00091044-02 196700158 tox21-ror-cho-viability-p1 set1 4 0.42737107 1.40771692 1.58821702 1.87116785 2.99297882 2.8386435 -0.60625571 2.07128027 0.61273113 1.2522847 1.49031224 0.99804795 1.47134291 3.88866537 -5.12595156 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00255150-01 196700164 tox21-ror-cho-viability-p1 set1 4 1.0172207 1.11205947 1.06594986 1.78463579 0.2462199 -12.22519948 1.99138346 -1.21199915 -2.29052676 -10.46523345 -0.14544148 2.60257135 1.40240885 1.47595003 -1.27225582 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2032-59-9 16247 144211740 A A Aminocarb O=C(Oc1cc(C)c(cc1)N(C)C)NC Tox21_301423 -NCGC00256295-01 196727935 tox21-ror-cho-viability-p1 set3 4 0.086349218 15.1822357079 -1.6822357079 13.5 1.4641 0.6303449683 0.0761541944 1.642917 -3.90186309 -3.7334142 1.01438638 0.67721069 1.54920684 13.04551579 12.84425178 3.57917715 15.97362449 7.57439601 23.85343422 20.05798281 9.92554731 8.69754765 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13491-79-7 26068 144211597 A I 2-tert-Butylcyclohexanol CC(C)(C)C1CCCCC1O Tox21_301280 -NCGC00257373-01 196727517 tox21-ror-cho-viability-p1 set3 4 -0.5053024 -2.4591829 -3.9711988 -0.77225251 1.37923815 -2.5768817 0.71881399 1.12439198 -0.30904336 1.97105963 1.31346991 1.48089112 -0.58864805 -4.13930832 0.84302757 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 626-43-7 12281 144213874 A A 3,5-Dichloroaniline Nc1cc(Cl)cc(Cl)c1 Tox21_303569 -NCGC00256582-01 196727524 tox21-ror-cho-viability-p1 set3 1.2 26.6409312014 40.1774600232 -1.6419420294 38.5355179938 4.9549173134 0.9266278372 0.0000658236 2.11537597 6.7643453 -0.47237983 0.15235123 0.50710754 0.1114671 -6.2655931 -4.81997785 -6.9871691 -5.77280511 -3.95601692 -2.4211573 1.56184773 37.86604871 36.3113153 1.156E-9 2.585E-9 5.781E-9 1.293E-8 2.8899999999E-8 6.463E-8 1.4449999999E-7 3.232E-7 7.226E-7 0.000001616 0.000003613 0.000008079 0.000018069999999 0.00004039 0.00009033 1465-25-4 15106 144213100 A C N-(1-Naphthyl)ethylenediamine dihydrochloride Cl.Cl.NCCNc2cccc1ccccc12 Tox21_302783 -NCGC00256911-01 196727531 tox21-ror-cho-viability-p1 set3 4 0.0216922123 31.84869412 32.76878806 23.71429559 20.86474017 14.62906736 4.86489979 2.68389235 -1.41786894 1.35614415 -0.00618694 5.45342309 13.80067036 6.34159741 14.3905411 11.43194134 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58-56-0 6019 144212793 A A Pyridoxine hydrochloride Cl.Oc1c(CO)c(cnc1C)CO Tox21_302476 -NCGC00256230-01 196727938 tox21-ror-cho-viability-p1 set3 4 3.4376242854 10.8133745719 -1.8133745719 9 2.7202212143 0.5386488736 0.1449844557 1.73319111 -3.15779074 -9.84447881 5.17628925 -1.19921246 -9.70813462 1.88218601 5.32659588 -2.67741972 -3.0132852 4.87886304 7.56050369 9.98508327 9.30589418 8.07674552 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4674-50-4 1268142 144212702 A A Nootkatone C=C(C)[C@@H]1CCC2=CC(=O)C[C@@H](C)[C@]2(C)C1 Tox21_302385 -NCGC00255985-01 196727942 tox21-ror-cho-viability-p1 set3 -3 61.130564862 -77.6154947633 3.1142511385 -74.5012436248 4.9549173134 0.8904831209 0.0005046886 0.05909029 -2.48919892 -1.52834238 2.74642296 7.38812107 9.69351293 -0.34464043 -10.95830274 10.95088134 -0.40142227 9.85373831 12.23779975 2.18954946 -5.68512268 -65.47717748 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1606-85-5 62411 144211995 Ac Ac 1,4-Bis(2-hydroxyethoxy)-2-butyne OCCOCC#CCOCCO Tox21_301678 -NCGC00159474-03 196726335 tox21-ror-cho-viability-p1 set3 4 2.90284638 5.07248663 -1.42122007 3.76609316 4.3336833 5.69514263 3.58166458 1.66084361 3.62841301 8.13905522 9.4454135 -2.1076114 8.0320269 4.19436566 1.58388088 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53-34-9 5876 170465086 F Fluprednisolone OCC(=O)[C@@]4(O)CC[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3C[C@H](F)C1=CC(=O)C=C[C@@]12C Tox21_111698_1 -NCGC00161393-04 196725507 tox21-ror-cho-viability-p1 set3 3 33.4914596268 36.1365130999 -0.1365130999 36 4.9549173134 0.8239071836 0.0046165873 -6.45148833 0 -0.24975015 -1.65683547 4.54634994 0.73366677 -8.44709425 1.99852479 -3.6780539 4.4782605 2.11935168 3.82331501 0.06008755 2.96062596 31.11950826 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97612-24-3 6917728 170466591 A Eticlopride hydrochloride Cl.CCN2CCC[C@H]2CNC(=O)c1c(O)c(CC)cc(Cl)c1OC Tox21_111229_1 -NCGC00018234-07 196725515 tox21-ror-cho-viability-p1 set3 4 3.13929569 3.31755202 4.66626496 6.59976993 6.14715543 -3.05141698 2.05657534 -2.51721487 3.44679902 7.10808038 -1.64980582 0.11388352 6.7140146 2.8911546 -2.84776788 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-67-0 5324 170465708 A Sulfaguanidine Nc1ccc(cc1)S(=O)(=O)NC(=N)N Tox21_110329_1 -NCGC00090760-08 196725941 tox21-ror-cho-viability-p1 set3 4 60.7577547203 -39.804492562 6.661782118 -33.142710444 4.0449729863 0.6664888043 0.0546120891 -1.21992981 -0.90942613 5.36369532 4.00422153 15.76066851 7.92160815 6.04950501 0 0 16.30302052 15.9437321 13.36220235 3.74771159 0.1670794 -26.93262184 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00016239-04 196726337 tox21-ror-cho-viability-p1 set3 4 0.1496008549 8.6354990319 -7.6354990319 1 0.8999999999 0.8003769667 0.00801086 -6.69294688 -7.34929748 -10.11291586 -4.25815095 -7.42468236 -5.96206503 -4.14983721 -4.53522772 0.91066802 -4.15697483 2.32934533 1.054244 1.57913737 0.46236004 0.59569373 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53-46-3 5883 170465350 Z Methantheline bromide [Br-].CC[N+](C)(CC)CCOC(=O)C1c3ccccc3Oc2ccccc12 Tox21_110320_1 -NCGC00182989-01 196726339 tox21-ror-cho-viability-p1 set3 4 0.0237101377 -6.904934636 3.5 -3.404934636 3.9899729863 0.8151290264 0.008322468 4.50106975 0.57965483 5.30931549 4.2539771 2.74695393 -1.82693201 -2.71267904 -3.86188285 -3.02732769 -1.98691883 -5.0270237 -5.33744553 -3.20674487 -0.4014108 1.10667262 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 631-27-6 71793 144206854 A A Glyclopyramide O=C(NS(=O)(=O)c1ccc(Cl)cc1)NN2CCCC2 Tox21_113303 -NCGC00259800-01 196706496 tox21-ror-cho-viability-p1 set1 4 0.0436294491 8.926126184 -8.926126184 0 4.9549173134 0.617663026 0.0849047596 -7.14485632 -6.35537864 -12.02177182 -9.18505341 -8.10545079 -0.12285531 1.26380841 -0.23019036 0.58669451 -10.16044679 1.73574413 -0.01133845 0.83690147 1.61063195 4.35308545 1.188E-9 2.657E-9 5.942E-9 1.3289999999E-8 2.971E-8 6.6429999999E-8 1.4849999999E-7 3.3219999999E-7 7.427E-7 0.0000016609999999 0.000003714 0.000008304 0.00001857 0.00004152 0.00009284 111-64-8 8124 144209449 D Caprylyl chloride ClC(=O)CCCCCCC Tox21_202251 -NCGC00259224-01 196706094 tox21-ror-cho-viability-p1 set1 -1.1 0.1554288045 -82.3602198953 -2.668670599 -85.0288904943 3.1319983358 0.9815676681 2.96E-8 -6.99518579 -0.14864479 -8.88084159 -0.54289623 0.25779148 -7.04402201 -37.9086454 -81.55773056 -83.71264215 -78.77126606 -85.18985731 -71.65643635 -91.42891451 -91.1309825 -89.10484883 1.1919999999E-9 2.6659999999E-9 5.962E-9 1.333E-8 2.981E-8 6.6659999999E-8 1.491E-7 3.3329999999E-7 7.4529999999E-7 0.0000016669999999 0.000003726 0.000008333 0.00001863 0.00004166 0.00009316 683-18-1 12688 144208873 A Ac Dibutyltin dichloride CCCC[Sn](Cl)(Cl)CCCC Tox21_201675 -NCGC00090858-02 196706098 tox21-ror-cho-viability-p1 set1 4 0.0544826733 33.2574120359 -29.2574120359 4 0.2 0.6238731042 0.0804687313 -22.71451003 -15.43636407 -15.66030995 -17.05392074 -13.20266794 -6.40733321 -11.11860258 -9.84578014 -13.95020308 -4.36441432 -1.95847147 -13.88804273 1.01856247 -7.93703814 2.45660975 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00258904-01 196706101 tox21-ror-cho-viability-p1 set1 4 0.74472878 -1.34483657 -1.21341402 0.67724883 -1.56216562 -2.94372544 -1.70775414 -3.91884542 2.53752387 -12.92021862 -2.17151959 -4.30487163 0.05587133 -5.57656481 -6.54860184 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009203 1582-09-8 5569 144208550 A A Trifluralin [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)C(F)(F)F Tox21_201352 -NCGC00259241-01 196706506 tox21-ror-cho-viability-p1 set1 4 -3.65814374 -1.67196479 1.87113846 -1.88162154 8.02057151 0.67719614 1.16575203 0 1.49789933 13.37954805 10.30553339 -2.02540522 1.9319528 0.18951067 -4.19727979 1.167E-9 2.609E-9 5.8329999999E-9 1.304E-8 2.917E-8 6.522E-8 1.458E-7 3.261E-7 7.2919999999E-7 0.0000016299999999 0.000003646 0.000008152 0.00001823 0.000040759999999 0.00009115 3622-84-2 19241 144208890 A A N-Butylbenzenesulfonamide O=S(=O)(NCCCC)c1ccccc1 Tox21_201692 -NCGC00259860-01 196706522 tox21-ror-cho-viability-p1 set1 4 10.51126987 -0.33737034 0.15666344 6.66620503 -3.38738873 1.21597327 3.44261064 -3.58114642 -12.94050405 7.55141216 -1.12015487 2.22264992 0.53714673 -1.75332987 6.19447995 1.196E-9 2.6749999999E-9 5.981E-9 1.337E-8 2.9899999999E-8 6.6869999999E-8 1.4949999999E-7 3.3429999999E-7 7.476E-7 0.0000016719999999 0.0000037379999999 0.0000083589999999 0.00001869 0.00004179 0.00009345 594-20-7 11660 144209509 FNS 2,2-Dichloropropane CC(C)(Cl)Cl Tox21_202311 -NCGC00259492-01 196705697 tox21-ror-cho-viability-p1 set1 4 -5.09317276 2.74983915 -12.02389785 -12.40466728 0.27563126 -5.88016478 -5.20043233 -1.90108681 -7.05707184 0 -3.39880167 -7.10457397 0.17601343 0.72080505 0.74445046 1.167E-9 2.608E-9 5.8329999999E-9 1.304E-8 2.9159999999E-8 6.521E-8 1.458E-7 3.26E-7 7.2909999999E-7 0.0000016299999999 0.000003645 0.0000081509999999 0.00001823 0.000040759999999 0.000091129999999 123-11-5 31244 144209141 A A 4-Methoxybenzaldehyde COc1ccc(C=O)cc1 Tox21_201943 -NCGC00095042-06 196706112 tox21-ror-cho-viability-p1 set1 4 -1.00061557 -0.74666155 0.2256072 3.4806596 0.70444267 -0.11315305 1.87134887 0.72019861 8.60945369 13.1895386 5.95032871 0.42700818 1.08505854 2.2220354 2.74776382 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00259741-01 196706131 tox21-ror-cho-viability-p1 set1 4 -13.49629372 -4.46930812 -9.52708622 -9.85902076 -3.11831387 -9.44998999 -8.87038127 -11.25266656 1.14314248 -9.11726198 -7.14936173 -18.35131036 -2.49635454 -8.07451758 -4.39408858 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.000092909999999 19248-13-6 87984 144209390 A A N-Ethyl-N-(3-methylphenyl)ethane-1,2-diamine CCN(CCN)c1cc(C)ccc1 Tox21_202192 -NCGC00259432-01 196706526 tox21-ror-cho-viability-p1 set1 4 -3.50592647 0.03222441 -7.87143871 -6.22142633 -5.31424477 -7.13204034 -3.58142264 -1.75982569 1.90227442 -8.20836744 6.28750512 -12.58459766 -6.60973017 -4.77316396 -0.74312876 1.191E-9 2.664E-9 5.9569999999E-9 1.332E-8 2.979E-8 6.66E-8 1.489E-7 3.33E-7 7.446E-7 0.000001665 0.0000037229999999 0.0000083249999999 0.00001862 0.00004163 0.00009308 694-83-7 4610 144209081 A F 1,2-Cyclohexanediamine NC1CCCCC1N Tox21_201883 -NCGC00259695-01 196706535 tox21-ror-cho-viability-p1 set1 4 0.69263768 0.48919557 -7.45336851 -6.05700046 -1.5376758 -0.37805648 -0.87062658 4.46078363 2.68821001 -1.87175015 -1.79282197 0.12229582 1.24541865 1.68986527 -1.18307348 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.952E-8 6.6E-8 1.476E-7 3.3E-7 7.379E-7 0.0000016499999999 0.00000369 0.0000082499999999 0.000018449999999 0.00004125 0.000092239999999 112-59-4 8199 144209344 A A 2-[2-(Hexyloxy)ethoxy]ethanol OCCOCCOCCCCCC Tox21_202146 -NCGC00258984-01 196706542 tox21-ror-cho-viability-p1 set1 -2.3 28.3087237247 -98.3715982638 2.6434797079 -95.7281185559 1.287561 0.9892705678 0.2335593786 7.35697371 2.81261915 2.63824589 -0.69545857 6.4000837 0.77417379 1.33304312 4.76841542 0.45365627 0.17985921 -6.24247395 -13.06293643 -46.7733052 6.5189579 -79.77343213 1.216E-9 2.718E-9 6.078E-9 1.359E-8 3.0389999999E-8 6.795E-8 1.519E-7 3.3979999999E-7 7.597E-7 0.000001699 0.000003799 0.0000084939999999 0.000018989999999 0.00004247 0.00009497 534-07-6 10793 144208631 D 1,3-Dichloropropanone ClCC(=O)CCl Tox21_201433 -NCGC00259985-01 196706955 tox21-ror-cho-viability-p1 set1 4 4.2793461111 -8.782721164 3.5 -5.282721164 4.4494702849 0.4895035901 0.1882077214 4.96561485 8.19323631 2.09757469 4.26927822 2.49373894 1.95851454 0.34700672 -4.42281271 4.14513395 11.37544643 0.19963236 -5.81022941 0.72883823 -8.98560097 -6.12382272 1.1689999999E-9 2.615E-9 5.8469999999E-9 1.3069999999E-8 2.9239999999E-8 6.537E-8 1.462E-7 3.269E-7 7.309E-7 0.0000016339999999 0.0000036539999999 0.0000081709999999 0.00001827 0.00004086 0.000091359999999 95-33-0 7232 144209634 A F N-Cyclohexyl-2-benzothiazolesulfenamide c1cccc2sc(nc12)SNC3CCCCC3 Tox21_202436 -NCGC00166207-02 196726360 tox21-ror-cho-viability-p1 set3 4 1.1361729 -4.70650392 12.29458185 9.65484249 -1.25047716 2.40083884 9.51055853 13.39872865 9.15844408 7.68649826 1.98035899 1.36318067 4.91579798 2.93651462 5.09835172 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 38609-97-1 38072 170466071 A Cridanimod O=C(O)CN3c1ccccc1C(=O)c2ccccc23 Tox21_112348_1 -NCGC00255886-01 196728808 tox21-ror-cho-viability-p1 set3 4 3.32299664 -5.34296869 6.24839108 1.68281931 2.26578185 -1.8079404 1.59321924 5.39210418 6.89737714 1.60150263 5.34848367 -0.15272753 4.2202427 -0.38138258 2.53013342 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2050-60-4 16306 144211706 A A Dibutyl ethanedioate O=C(OCCCC)C(=O)OCCCC Tox21_301389 -NCGC00257909-01 196729203 tox21-ror-cho-viability-p1 set3 4 17.4920812678 -7.516547152 -1 -8.516547152 4.9549173134 0.7448125008 0.0216000881 -2.6787981 0.06298919 -2.95307116 -2.82913776 0.63259525 0.15491916 -1.88511198 0.84089654 -1.44210636 -2.97004205 -1.75067741 0.12490831 -5.42338073 -10.43045596 -6.48925878 1.195E-9 2.671E-9 5.973E-9 1.336E-8 2.986E-8 6.678E-8 1.493E-7 3.3389999999E-7 7.466E-7 0.000001669 0.000003733 0.000008347 0.00001866 0.00004174 0.00009332 74-96-4 6332 144207553 FNS Bromoethane BrCC Tox21_200355 -NCGC00257833-01 196729208 tox21-ror-cho-viability-p1 set3 4 1.00281382 2.06156262 -4.11858456 -4.28987834 -1.38958664 -4.45495625 2.35239531 -3.54094612 0.61180992 -1.80875697 -2.62233703 -4.55554228 5.2194021 0.83747325 3.02366747 1.165E-9 2.606E-9 5.8259999999E-9 1.303E-8 2.9129999999E-8 6.514E-8 1.457E-7 3.2569999999E-7 7.2829999999E-7 0.000001629 0.000003641 0.000008143 0.00001821 0.00004071 0.00009104 108-70-3 7950 144207477 AC B 1,3,5-Trichlorobenzene Clc1cc(Cl)cc(Cl)c1 Tox21_200279 -NCGC00183008-01 196725959 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -78.738076464 3.960314374 -74.77776209 4.9549173134 0.877864055 0.0008573313 -2.07472144 2.21381827 -11.61640307 -0.71624122 -0.67768828 5.12978875 7.09414289 15.11250609 6.74352224 6.29091349 3.75559045 2.70487113 11.68040651 4.96237819 -65.68120643 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 117279-73-9 119175 144206851 A A Israpafant CC(C)Cc1ccc(cc1)CCc2cc5c(s2)n3c(C)nnc3C(C)N=C5c4ccccc4Cl Tox21_113300 -NCGC00090942-03 196725961 tox21-ror-cho-viability-p1 set3 -2.1 54.4826732819 -123.4637131749 4.7255477703 -118.7381654046 3.9294729863 0.9785500312 7.11E-8 3.42459395 5.22302864 0.83655645 1.23315979 9.05075443 4.97658249 13.43131736 -2.30304917 10.83742435 4.30254447 0.27062031 2.35258407 7.30768302 -26.93833725 -104.7073769 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00091902-11 196725965 tox21-ror-cho-viability-p1 set3 4 1.4960085492 5.9605932359 -4.4605932359 1.5 1.221561 0.4065989762 0.2672976826 0.69102273 -0.40955479 -6.55873636 -6.43844047 -8.51750685 -6.97257639 -1.58270261 -8.71716103 -2.30531327 -0.78213681 -2.03941444 0.07436632 -0.79314614 4.63734528 -0.18818784 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 121-75-5 4004 170465311 Z Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_111175_1 -NCGC00183000-01 196726362 tox21-ror-cho-viability-p1 set3 1.2 6.6824247267 55.5186251256 -1.5160921369 54.0025329887 4.9549173134 0.9542802575 0.0000130962 -4.33678593 0 3.93532692 -8.2749647 -3.35630771 -7.99702929 2.70969844 2.56442417 0.08074642 -0.1731648 -0.19335084 -0.00675913 47.60185528 50.00234536 37.20038435 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 116287-13-9 198707 144206892 A A Lanperisone hydrochloride C[C@H](CN1CCCC1)C(=O)c2ccc(cc2)C(F)(F)F Tox21_113341 -NCGC00161670-06 196726363 tox21-ror-cho-viability-p1 set3 4 0.0008412674 12.540972548 -11.040972548 1.5 4.5044702849 0.5914928332 0.1190071845 -8.78414379 0 2.38194832 0.66766122 -4.31436934 2.79032248 3.61625708 2.83737724 -0.79175319 -1.54256633 3.91893693 1.9435591 1.35983242 2.61318943 -8.66214663 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26305-03-3 5478883 170466543 A Pepstatin OC(=O)C[C@H](O)[C@@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)CC(C)C Tox21_111747_1 -NCGC00163735-04 196726364 tox21-ror-cho-viability-p1 set3 4 -3.9078731 -10.84019439 -0.99537076 -1.9406963 -1.47526205 -0.52678261 0.44306517 -0.245273 -2.36140454 -6.83631356 -3.78935184 0.44077214 -3.18032734 -5.73859797 -15.77078027 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00016347-07 196726373 tox21-ror-cho-viability-p1 set3 4 0.0007497804 17.736461568 -18.736461568 -1 4.9549173134 0.4249776652 0.265289761 -14.78038464 0 -0.94850792 1.33136273 -5.03281509 -0.83313317 -8.94047022 -10.35431182 0.17004586 -0.74261022 2.78910872 3.6337916 0.56861396 2.19935811 -11.0969494 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 91-33-8 2343 170465246 A Benzthiazide NS(=O)(=O)c3cc1c(N=C(NS1(=O)=O)CSCc2ccccc2)cc3Cl Tox21_110387_1 -NCGC00260137-01 196711237 tox21-ror-cho-viability-p1 set2 -2.1 34.8380589741 -107.1099448034 -4.1347133409 -111.2446581443 0.8999999999 0.7701391806 0.0139892699 0.16200943 -0.04648223 0.73075274 -0.10828321 2.07087724 -1.3992713 -0.49082733 -16.95637934 -9.78226074 -14.2234436 -20.6551924 -27.27112853 -25.48483 -20.23621656 -84.27625617 6.0959999999E-10 1.363E-9 3.048E-9 6.816E-9 1.524E-8 3.408E-8 7.62E-8 1.704E-7 3.81E-7 8.52E-7 0.000001905 0.00000426 0.000009525 0.0000213 0.00004763 14484-64-1 26710 144209787 Ferbam [Fe+3].S=C([S-])N(C)C.CN(C)C([S-])=S.CN(C)C([S-])=S Tox21_202589 -NCGC00183012-01 196713303 tox21-ror-cho-viability-p1 set2 4 -1.20300085 -0.71737535 -1.70626961 -0.00852305 -0.63152308 0.5791085 0.3082277 1.76093507 1.38048798 -0.39989689 1.27367423 0.35705162 -0.82793191 2.33569358 4.74126646 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1766-91-2 4726 144206843 A A Penflutizide FC(F)(F)c1cc2NC(NS(=O)(=O)c2cc1S(N)(=O)=O)CCCCC Tox21_113292 -NCGC00182709-03 196713701 tox21-ror-cho-viability-p1 set2 4 -4.01463884 -2.77514693 -2.25620565 -0.15028671 -3.91589928 -4.10990009 -0.95880865 -5.73511708 0.20378068 0.58098616 0.55228432 0.17631692 0.11441553 -1.29235953 4.04587063 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 144481-98-1 164457 170465910 A Landiolol hydrochloride Cl.CC3(C)OC[C@@H](COC(=O)CCc2ccc(OC[C@@H](O)CNCCNC(=O)N1CCOCC1)cc2)O3 Tox21_113021_1 -NCGC00255705-01 196710831 tox21-ror-cho-viability-p1 set2 4 -2.42472601 -0.79167193 -3.90264921 -2.52528887 -0.06565807 -2.05500701 0.19702239 -3.88126044 1.01635746 1.19430654 0.88296784 1.25781933 0.13016679 -0.41175788 2.24401903 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 497-76-7 440936 144212745 A A Arbutin Oc1ccc(cc1)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O Tox21_302428 -NCGC00255734-01 196710836 tox21-ror-cho-viability-p1 set2 4 -6.47114911 -0.14876919 -0.8138126 -2.51442159 -0.7754511 0.13003907 0.59994528 -0.70941698 -1.68330337 0.65643369 -1.77944588 0.42086174 -1.22850392 -0.61745723 -8.5136443 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1918-11-2 15967 144212527 A A Terbucarb O=C(Oc1c(cc(C)cc1C(C)(C)C)C(C)(C)C)NC Tox21_302210 -NCGC00357180-01 196711236 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -22.6595742959 7 -15.6595742959 4.9549173134 0.659179689 0.0589355374 4.50594687 -0.18433585 0.12246301 6.64641925 8.54381078 9.97458677 9.00147645 11.47474077 10.5949882 9.28386227 9.41610372 6.35394286 7.83378794 5.77047749 -11.38297858 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139968-49-3 11614934 251919751 F Metaflumizone FC(F)(F)Oc1ccc(cc1)NC(=O)N\N=C(/Cc2ccc(C#N)cc2)c3cccc(c3)C(F)(F)F Tox21_303944 -NCGC00260308-01 196711246 tox21-ror-cho-viability-p1 set2 4 3.87194667 3.32243224 3.43156506 6.53121328 4.14739178 2.71866504 6.39047121 11.42486576 7.68941658 5.09026463 2.2594681 6.16339371 5.57792127 8.30241457 3.97169646 5.8759999999E-10 1.314E-9 2.938E-9 6.569E-9 1.469E-8 3.2849999999E-8 7.345E-8 1.642E-7 3.672E-7 8.211E-7 0.000001836 0.0000041059999999 0.0000091809999999 0.00002053 0.0000459 28777-98-2 5354626 144209959 D A Dihydro-3-(octadecenyl)-2,5-furandione O=C1OC(=O)CC1\C=C\CCCCCCCCCCCCCCCC Tox21_202761 -NCGC00260340-01 196711253 tox21-ror-cho-viability-p1 set2 2.4 0.8503456749 17.5 4.5 22 0.3 0.9168915969 0.0001291975 5.38242809 4.35353228 6.04868627 5.43351485 8.72163163 8.47125844 7.62578457 9.39217758 8.53806805 10.04098397 11.06627595 11.08998297 12.69015172 14.56059525 17.37133714 5.952E-11 1.331E-10 2.976E-10 6.654E-10 1.4879999999E-9 3.3269999999E-9 7.44E-9 1.664E-8 3.7199999999E-8 8.318E-8 1.86E-7 4.1589999999E-7 9.3E-7 0.000002079 0.00000465 124-25-4 31291 144209992 Fns Tetradecanal CCCCCCCCCCCCCC=O Tox21_202794 -NCGC00260126-01 196711651 tox21-ror-cho-viability-p1 set2 4 -2.92164365 1.64353672 -23.18966608 -4.26233881 0.33172273 -0.86782673 -0.36320005 -8.84025443 -8.09115715 -13.85218936 -5.48048838 0.74218192 0.72340739 1.59717225 3.47580312 5.905E-10 1.32E-9 2.9529999999E-9 6.602E-9 1.476E-8 3.3009999999E-8 7.381E-8 1.651E-7 3.691E-7 8.253E-7 0.000001845 0.000004126 0.000009227 0.000020629999999 0.00004613 25327-89-3 61972 144209775 F Ac Tetrabromobisphenol A diallyl ether Brc1cc(cc(Br)c1OCC=C)C(C)(C)c2cc(Br)c(OCC=C)c(Br)c2 Tox21_202577 -NCGC00357264-01 196711663 tox21-ror-cho-viability-p1 set2 -3 76.9588215421 -74.4618402307 -4.789813813 -79.2516540437 4.9549173134 0.8060276569 0.0069754826 -4.18553542 -26.53257401 0 -8.01206308 -6.43123168 -11.90167544 -4.19812927 -5.84740953 0 0 -1.81798489 0 0 -1.1077193 -62.89813813 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 301-00-8 5319706 251919764 Fns Methyl linolenate O=C(CCCCCCC/C=C\C/C=C\C/C=C\CC)OC Tox21_303764 -NCGC00260518-01 196711667 tox21-ror-cho-viability-p1 set2 4 -0.56458133 -0.90266868 5.12482095 -1.53432491 -2.25201002 -0.9292959 -1.24219785 2.27170014 2.65160274 2.32992601 -0.58815463 2.27995563 2.72377228 1.5328358 1.75730828 1.2009999999E-9 2.6849999999E-9 6.0029999999E-9 1.3419999999E-8 3.0009999999E-8 6.711E-8 1.501E-7 3.356E-7 7.5029999999E-7 0.0000016779999999 0.0000037519999999 0.0000083889999999 0.00001876 0.00004195 0.00009379 1210-35-1 14589 144210170 A A Dibenzosuberone O=C1c3ccccc3CCc2ccccc12 Tox21_202972 -NCGC00260593-01 196711668 tox21-ror-cho-viability-p1 set2 -3 1.1883218301 -46.7196642314 -3.582656452 -50.3023206834 4.9549173134 0.9352553125 0.000785925 -1.50096035 -1.54791245 -1.93801738 -4.10101585 -2.8688017 -11.48689954 -2.31889872 -7.81554224 -2.2290503 -6.16777036 -49.31600067 -18.73459533 -3.96889101 -3.12519749 1.04318756 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49489 144210246 M M NTP Mix49 CT1 3-EQP Tox21_203048 -NCGC00257447-01 196707346 tox21-ror-cho-viability-p1 set1 4 0.59670975 1.79399977 -0.3073278 0.65740769 -0.3947122 1.8905891 0.94651382 0.77108901 -2.1768429 2.11365726 0.27368286 -0.59655022 -0.85448528 0.42541678 4.28611666 1.1379999999E-9 2.546E-9 5.692E-9 1.2729999999E-8 2.8459999999E-8 6.3639999999E-8 1.423E-7 3.182E-7 7.115E-7 0.0000015909999999 0.0000035579999999 0.000007955 0.000017789999999 0.00003978 0.00008894 50-70-4 5780 144213700 A A D-Glucitol O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)CO Tox21_303388 -NCGC00259354-01 196706508 tox21-ror-cho-viability-p1 set1 -2.1 60.5094261282 -92.3257466337 1.7081710929 -90.6175755408 2.6384283767 0.9527865174 0.0000061356 6.99849518 3.17248201 4.11463803 3.23560559 2.65456274 0.63901809 -0.38198561 -0.1085756 9.26861063 -5.5239055 -0.25076743 -0.37000436 -9.58038716 -18.68446491 -68.64967844 1.1699999999E-9 2.615E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.538E-8 1.462E-7 3.269E-7 7.31E-7 0.000001635 0.0000036549999999 0.000008173 0.00001828 0.000040869999999 0.00009138 57-97-6 6001 144209003 B C 7,12-Dimethylbenz(a)anthracene Cc2c1c4ccccc4ccc1c(C)c3ccccc23 Tox21_201805 -NCGC00259502-01 196706918 tox21-ror-cho-viability-p1 set1 4 -4.74144582 -3.4926961 -4.93227019 -5.69077075 1.38138381 7.78461777 2.66082302 0.20272329 3.33257191 -15.65611709 1.32848885 1.90111873 1.02648715 0.10500175 0.3294165 1.1919999999E-9 2.6659999999E-9 5.9609999999E-9 1.333E-8 2.981E-8 6.6649999999E-8 1.49E-7 3.332E-7 7.451E-7 0.0000016659999999 0.000003726 0.0000083309999999 0.00001863 0.000041649999999 0.000093139999999 2467-03-0 75576 144209151 A A 2-(4-Hydroxybenzyl)phenol Oc2ccccc2Cc1ccc(O)cc1 Tox21_201953 -NCGC00258976-01 196706928 tox21-ror-cho-viability-p1 set1 4 8.33142019 0.96933022 1.79838561 7.85063057 5.49224241 -0.36711076 -0.88367106 -2.04356522 -0.1530819 4.52786195 1.85944218 4.54918348 0.86109209 1.70875393 1.61055139 1.18E-9 2.6389999999E-9 5.9009999999E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.299E-7 7.376E-7 0.000001649 0.000003688 0.0000082469999999 0.00001844 0.000041229999999 0.0000922 1747-60-0 15630 144208623 A A 2-Amino-6-methoxybenzothiazole COc1ccc2nc(N)sc2c1 Tox21_201425 -NCGC00256864-01 196707745 tox21-ror-cho-viability-p1 set1 4 3.35299027 1.67258136 0.08331917 0.86472432 0.54749864 1.73032035 -0.02567567 4.11426466 0.61488265 1.11544049 -0.4775524 4.1521476 2.11773383 2.29889378 1.89003479 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16485-10-2 4678 144212977 A A Panthenol CC(C)(CO)C(O)C(=O)NCCCO Tox21_302660 -NCGC00256678-01 196707761 tox21-ror-cho-viability-p1 set1 4 -4.91795036 -11.98472991 1.68496178 -12.66553948 -16.58489737 -11.82406677 -9.94395647 -11.26963032 -8.49859833 -12.64746917 -10.38296251 -9.03139515 -6.19089849 -3.60790216 -4.10067804 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1118-27-0 240119 144213925 A D Linalyl isovalerate O=C(CC(C)C)OC(C)(CC\C=C(\C)C)C=C Tox21_303620 -NCGC00256669-01 196708172 tox21-ror-cho-viability-p1 set1 4 2.39235908 2.53271213 -18.11596434 0.02413239 -20.13129742 -18.93142295 -0.54163696 -13.62636361 -2.77791882 0.84149537 -15.69091448 -1.5378982 -11.93431449 1.71188783 0.90272228 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 13816-33-6 26289 144212897 A F 4-Isopropylbenzonitrile CC(C)c1ccc(C#N)cc1 Tox21_302580 -NCGC00163903-03 196708577 tox21-ror-cho-viability-p1 set2 4 -1.27365576 0.4878198 1.09910457 -0.67797639 -0.16500869 -2.58614034 0.82511156 0.05018828 -2.59088444 -0.12006676 -1.98572705 -2.61602729 0.95707362 0.24367287 7.37221619 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00259137-01 196708578 tox21-ror-cho-viability-p1 set2 -1.1 30.9496935865 -67.6476794591 -1.7579594689 -69.405638928 4.9549173134 0.9910194336 4E-10 -0.29746933 0.28205414 -3.12926846 -1.09232383 -2.46390947 -1.1038485 -4.77983375 -0.41887772 -2.68399707 -3.65489619 -1.48863712 -3.39995606 -2.86876678 -54.02011236 -72.29754055 1.19E-9 2.661E-9 5.95E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003719 0.000008315 0.00001859 0.00004158 0.00009297 63-92-3 5284441 144208786 B Fns Phenoxybenzamine hydrochloride Cl.CC(COc1ccccc1)N(Cc2ccccc2)CCCl Tox21_201588 -NCGC00259223-01 196708582 tox21-ror-cho-viability-p1 set2 -2.4 50.4401937374 -36.380250376 2.5 -33.880250376 3.1319983358 0.9642975794 0.0000013022 1.49368488 1.8671005 0.89869842 2.84723084 -0.00647089 3.71972311 0.90558025 0.85641237 1.52739976 4.37683532 6.17324503 4.0078989 0.35522892 -10.39711547 -29.48354198 1.218E-9 2.723E-9 6.088E-9 1.361E-8 3.044E-8 6.807E-8 1.522E-7 3.403E-7 7.61E-7 0.000001702 0.000003805 0.0000085079999999 0.000019019999999 0.000042539999999 0.00009512 7773-06-0 24482 144208872 A A Ammonium sulfamate [NH4+].[O-]S(N)(=O)=O Tox21_201674 -NCGC00259723-01 196708588 tox21-ror-cho-viability-p1 set2 4 -3.48785111 -0.26920254 -0.60960594 -4.1716055 -0.50142181 -1.22098405 -2.54565297 -1.05376737 1.49322846 -2.23663584 -2.58252389 -0.93891002 -0.74027168 -0.28601274 0.97989567 1.198E-9 2.679E-9 5.991E-9 1.34E-8 2.995E-8 6.698E-8 1.4979999999E-7 3.3489999999E-7 7.488E-7 0.0000016739999999 0.000003744 0.0000083719999999 0.000018719999999 0.000041859999999 0.000093599999999 127-19-5 31374 144209372 A A N,N-Dimethylacetamide CN(C)C(C)=O Tox21_202174 -NCGC00259871-01 196708593 tox21-ror-cho-viability-p1 set2 4 -0.3366235 -2.17642151 1.90841951 3.65119672 3.21907003 0.56974828 0.10026818 1.23569584 3.86749357 0.27723324 2.82587729 2.17901532 6.15892387 4.65919012 4.14635862 1.2009999999E-9 2.6849999999E-9 6.0039999999E-9 1.3429999999E-8 3.002E-8 6.7129999999E-8 1.501E-7 3.356E-7 7.505E-7 0.0000016779999999 0.0000037519999999 0.000008391 0.00001876 0.00004195 0.00009381 993-16-8 101940 144209520 A Trichloromethylstannane C[Sn](Cl)(Cl)Cl Tox21_202322 -NCGC00259382-01 196708597 tox21-ror-cho-viability-p1 set2 4 1.83351445 -1.74187782 1.57876642 0.513523 -0.43256359 -4.4322667 -2.3519337 -4.12589356 0.68307508 -0.7637683 0.48214518 0 -0.20243755 -0.31933949 -0.46230421 1.1999999999E-9 2.684E-9 6.002E-9 1.3419999999E-8 3.0009999999E-8 6.711E-8 1.501E-7 3.355E-7 7.5029999999E-7 0.0000016779999999 0.0000037519999999 0.0000083889999999 0.00001876 0.000041939999999 0.00009379 121-17-5 8462 144209031 A A 1-Chloro-2-nitro-4-(trifluoromethyl)benzene O=[N+]([O-])c1cc(ccc1Cl)C(F)(F)F Tox21_201833 -NCGC00258609-01 196729632 tox21-ror-cho-viability-p1 set3 4 87.3160566177 8.3794209599 -0.3794209599 8 0.8999999999 0.3500742402 0.3276806915 0.36634745 1.94597459 -0.02950572 0.85070573 -5.7328508 0.17083119 -1.3005492 -0.64113481 1.47818618 -0.20505183 1.52784833 0.38818294 1.34757757 1.00034252 5.03392808 1.191E-9 2.663E-9 5.955E-9 1.332E-8 2.977E-8 6.6579999999E-8 1.489E-7 3.3289999999E-7 7.4439999999E-7 0.0000016639999999 0.0000037219999999 0.000008322 0.00001861 0.000041609999999 0.00009305 87-99-0 6912 144208254 A Xylitol O[C@H](CO)[C@H](O)[C@@H](O)CO Tox21_201056 -NCGC00258093-01 196729636 tox21-ror-cho-viability-p1 set3 4 24.1633761507 -16.4650563559 1 -15.4650563559 2.9522712143 0.8907061597 0.0005045241 1.46206161 -1.69110837 -1.63900676 -1.15448819 0.62289569 0.79663864 3.35975073 0.66551785 3.44439618 4.4451257 1.26107639 2.78184881 -4.89363001 -12.04839235 -15.80421363 1.173E-9 2.6229999999E-9 5.865E-9 1.311E-8 2.9319999999E-8 6.557E-8 1.466E-7 3.2779999999E-7 7.3309999999E-7 0.0000016389999999 0.000003665 0.0000081959999999 0.00001833 0.00004098 0.00009164 10161-33-8 25015 144207737 A A 17beta-Trenbolone O=C3C=C4CC[C@@H]1C(C=C[C@]2(C)[C@@H](O)CC[C@@H]12)=C4CC3 Tox21_200539 -NCGC00257818-01 196729213 tox21-ror-cho-viability-p1 set3 4 0.1889949811 -11.51687964 13 1.48312036 4.9549173134 0.8398917127 0.0030409943 12.5836757 10.56854971 18.4478621 15.37230934 10.20651659 10.78387529 12.14752186 -0.8473997 -0.83448011 3.86792469 1.83332117 -0.03311222 2.28948565 4.80289034 0.46779737 1.158E-9 2.5899999999E-9 5.79E-9 1.2949999999E-8 2.8949999999E-8 6.474E-8 1.448E-7 3.2369999999E-7 7.238E-7 0.000001618 0.000003619 0.000008092 0.000018089999999 0.00004046 0.000090469999999 3710-84-7 19463 144207462 D N,N-Diethylhydroxylamine CCN(O)CC Tox21_200264 -NCGC00258347-01 196729219 tox21-ror-cho-viability-p1 set3 4 0.26013333 7.69076154 5.76571261 6.81869797 6.54848547 -2.60006933 3.94017716 6.60099041 -1.945572 7.54035858 3.1089853 7.674574 -6.30512533 2.82847707 2.97888738 1.188E-9 2.657E-9 5.942E-9 1.3289999999E-8 2.971E-8 6.6429999999E-8 1.4849999999E-7 3.321E-7 7.427E-7 0.0000016609999999 0.000003714 0.000008304 0.00001857 0.00004152 0.00009284 504-24-5 1727 144207991 A A 4-Aminopyridine Nc1ccncc1 Tox21_200793 -NCGC00258238-01 196729640 tox21-ror-cho-viability-p1 set3 4 1.52412765 -8.75815921 -0.43976432 -7.35398191 -3.04100658 1.54976374 -7.11394726 -5.65060599 -2.53056737 0 -18.42577418 -1.09248206 -10.47114344 -15.43319428 -5.56650948 1.1699999999E-9 2.6159999999E-9 5.85E-9 1.3079999999E-8 2.925E-8 6.5409999999E-8 1.463E-7 3.27E-7 7.3129999999E-7 0.000001635 0.000003656 0.000008176 0.00001828 0.00004088 0.00009141 3748-13-8 77353 144207882 A Ac 1,3-Diisopropenylbenzene CC(=C)c1cccc(c1)C(=C)C Tox21_200684 -NCGC00258444-01 196730037 tox21-ror-cho-viability-p1 set3 -3 67.4055501551 -58.145564358 -1.734696326 -59.880260684 4.9549173134 0.9133179532 0.000156248 -3.78654012 -6.45155236 -5.84338872 -2.6580475 -4.9629989 -1.8051941 -4.4035628 -3.68298244 -0.64094448 -1.90422264 -1.5566329 0.75980617 7.83881986 -0.70435125 -49.5081434 1.163E-9 2.602E-9 5.817E-9 1.301E-8 2.909E-8 6.5039999999E-8 1.454E-7 3.252E-7 7.2719999999E-7 0.0000016259999999 0.000003636 0.00000813 0.00001818 0.00004065 0.000090889999999 793-24-8 13101 144208088 A B N-(1,3-Dimethylbutyl)-N'-phenyl-p-phenylenediamine CC(C)CC(C)Nc1ccc(cc1)Nc2ccccc2 Tox21_200890 -NCGC00258640-01 196730451 tox21-ror-cho-viability-p1 set3 3 68.8687250228 116.2314395539 -0.1063700223 116.1250695316 4.9549173134 0.9507767955 0.0708701181 3.49082285 3.21493317 2.20246463 -0.03663199 3.59140821 3.89429153 1.58811703 0.13203013 1.96016615 -1.33848122 1.20832269 -17.39699827 -67.74667232 0.87215496 94.87342282 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 4074-88-8 19996 144208286 A A Diethylene glycol diacrylate O=C(OCCOCCOC(=O)C=C)C=C Tox21_201088 -NCGC00258154-01 196730454 tox21-ror-cho-viability-p1 set3 -2.1 62.4383774676 -89.0521565984 -1.66680328 -90.7189598784 4.9549173134 0.9768459368 1.105E-7 -2.7569898 -0.68685277 -1.39544034 -0.08446207 1.33552496 -0.52304744 -0.86414732 -0.21929742 -1.34730217 -0.63145368 0.74282465 -9.96183305 -8.41670506 -12.79086354 -80.33250784 1.2009999999E-9 2.686E-9 6.005E-9 1.3429999999E-8 3.003E-8 6.714E-8 1.501E-7 3.3569999999E-7 7.507E-7 0.000001679 0.000003753 0.000008393 0.000018769999999 0.00004196 0.000093829999999 61546-01-8 2734231 144207798 A A 1-Hexadecyl-3-methylimidazolium chloride [Cl-].C[n+]1ccn(CCCCCCCCCCCCCCCC)c1 Tox21_200600 -NCGC00257882-01 196730460 tox21-ror-cho-viability-p1 set3 4 -5.51530102 -5.47844297 0.98520233 -4.46753386 -4.53730422 1.89094773 -4.41554436 -3.66020643 2.91447139 0 -11.95797785 0 -7.07673806 -2.48882319 0.37201262 1.1759999999E-9 2.63E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.576E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.00000822 0.000018379999999 0.0000411 0.0000919 5466-84-2 230976 144207526 A B 4-Nitrophthalic anhydride [O-][N+](=O)c1ccc2C(=O)OC(=O)c2c1 Tox21_200328 -NCGC00257907-01 196730463 tox21-ror-cho-viability-p1 set3 4 -4.16833692 2.25391431 -1.06179775 2.04079259 -3.92410791 -2.52812636 1.35212257 -3.49778549 -3.76718806 -0.94883071 -20.07523292 -6.4512354 -3.82086342 -1.88006064 12.79414664 1.171E-9 2.618E-9 5.8529999999E-9 1.3089999999E-8 2.927E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.317E-7 0.0000016359999999 0.000003658 0.0000081809999999 0.00001829 0.0000409 0.00009146 723-46-6 5329 144207551 A A Sulfamethoxazole Cc2cc(NS(=O)(=O)c1ccc(N)cc1)no2 Tox21_200353 -NCGC00258503-01 196730464 tox21-ror-cho-viability-p1 set3 4 0.439796 0 -6.14283464 -3.52878427 -2.89094552 0 0 0 -11.50323707 0 0 -14.90130109 -5.64244713 -2.00642468 -1.85984611 1.204E-9 2.693E-9 6.0219999999E-9 1.347E-8 3.011E-8 6.733E-8 1.5049999999E-7 3.366E-7 7.527E-7 0.000001683 0.0000037639999999 0.000008416 0.00001882 0.00004208 0.00009409 563-41-7 11236 144208148 Semicarbazide hydrochloride Cl.NC(=O)NN Tox21_200950 -NCGC00256617-01 196727616 tox21-ror-cho-viability-p1 set3 4 3.10389699 -7.4183234 1.54509241 5.62591257 1.67038501 2.02459469 -3.47535224 -2.12575832 1.40679738 -3.92554418 -0.34182549 -2.23200662 5.14879359 1.14312066 2.30779922 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-87-9 7895 144213333 Fns 2-Pentanone CC(=O)CCC Tox21_303016 -NCGC00253930-01 196714555 tox21-ror-cho-viability-p1 set2 4 -0.89189887 0.44829818 -1.05516574 -1.09177795 -1.58509254 -0.48252712 -5.41283307 -5.50656039 0.70859794 -6.77444123 -3.15006267 -6.32103795 -2.21435119 -7.51118015 -6.08974822 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 219790-72-4 9931156 144210541 A A SB281832 OCC(CO)n4cnc(c1ccc(F)cc1)c4c3ccnc(Oc2ccccc2)n3 Tox21_300221 -NCGC00262942-01 196713720 tox21-ror-cho-viability-p1 set2 4 -5.62448448 -4.34613418 -0.43659445 0.98327265 0.06150615 0.66603 0.94436016 -0.91407913 0.2834903 -0.82131469 1.39151347 0.40691732 -0.69053418 -4.09357987 -4.00508096 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1146-95-8 121035 170465899 F A Etifelmine hydrochloride Cl.CCC(\CN)=C(/c1ccccc1)c2ccccc2 Tox21_113935 -NCGC00091146-04 196714130 tox21-ror-cho-viability-p1 set2 4 24.3365162115 -20.264163944 0 -20.264163944 1.4163171 0.7673452887 0.0196978531 -1.11665475 1.67152718 1.2978635 0.673926 1.66307416 1.55519977 -0.45922458 -0.07961948 -6.53366797 -0.25170309 0.6913306 -6.4591457 -6.01754114 -15.22013662 -5.6771709 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00254246-01 196714546 tox21-ror-cho-viability-p1 set2 4 1.14251348 -0.68597436 0.68208683 0.83718197 1.4117822 2.16097177 1.6211533 1.32178887 1.49382977 3.83209393 1.36349583 3.71958315 5.20722967 -0.87866757 -0.453848 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-94-3 7270 144210823 1,2,4,5-Tetrachlorobenzene Clc1cc(Cl)c(Cl)cc1Cl Tox21_300505 -NCGC00254523-01 196714956 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -40.147045392 0.5 -39.647045392 4.9549173134 0.983209895 1.73E-8 -1.34156309 0.12109558 -0.27656313 1.62585543 -0.25310239 1.65111297 -0.54035364 1.82483258 -1.1218482 0.62209459 2.0277589 0.35254447 0.00258947 -1.26588952 -32.20587116 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76-44-8 3589 144210852 A A Heptachlor ClC2=C(Cl)C3(Cl)C1C=CC(Cl)C1C2(Cl)C3(Cl)Cl Tox21_300534 -NCGC00163771-03 196714961 tox21-ror-cho-viability-p1 set2 4 1.04365828 1.66858589 -0.80661778 1.32421273 1.4701153 1.82776471 1.52773611 -0.72448546 0.49577719 1.13368449 0.45064214 3.11157153 5.52910166 3.60890173 5.47867111 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00254539-01 196714968 tox21-ror-cho-viability-p1 set2 4 54.4826732819 -17.759613084 1 -16.759613084 1.6258976909 0.7466001664 0.020773557 3.71278596 -0.00715457 -1.95439278 0.26962811 -0.41442865 0.34250118 0.78542988 -0.69758181 3.17381135 0 4.56464735 0.6973746 -4.71436082 -3.65748033 -12.29967757 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-53-1 448537 144210844 B B Diethylstilbestrol Oc1ccc(cc1)C(\CC)=C(/CC)c2ccc(O)cc2 Tox21_300526 -NCGC00258517-01 196715368 tox21-ror-cho-viability-p1 set2 4 -3.96030262 -4.43077238 -1.11653404 2.89284552 1.82697331 -3.58522875 -2.80645464 -5.72837753 -5.54980411 0.6372257 0.25519311 -5.25954084 -4.6906461 -4.45003126 -4.79532149 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.354E-7 0.0000016439999999 0.0000036769999999 0.0000082219999999 0.000018379999999 0.00004111 0.00009192 112-73-2 8210 144208162 A Bc Diethylene glycol dibutyl ether CCCCOCCOCCOCCCC Tox21_200964 -NCGC00257882-01 196715380 tox21-ror-cho-viability-p1 set2 4 0.39841419 -2.36642088 -1.72853669 0.67582793 0.57209041 -1.09496569 -5.08599238 -2.95006965 -1.50362375 1.33853688 -0.35313766 -5.37031838 -2.08779797 -0.11095365 1.53224614 1.1759999999E-9 2.63E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.576E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.00000822 0.000018379999999 0.0000411 0.0000919 5466-84-2 230976 144207526 A B 4-Nitrophthalic anhydride [O-][N+](=O)c1ccc2C(=O)OC(=O)c2c1 Tox21_200328 -NCGC00257764-01 196715780 tox21-ror-cho-viability-p1 set2 4 5.8991122 0.71357702 2.02036 2.56894693 3.41212223 4.30420417 1.14013227 2.95243957 1.4102373 0.74033017 2.71149084 0.91843772 0.16391397 -0.07900045 -1.3264047 1.152E-9 2.576E-9 5.76E-9 1.288E-8 2.8799999999E-8 6.44E-8 1.44E-7 3.22E-7 7.2E-7 0.00000161 0.0000036 0.0000080489999999 0.000018 0.000040249999999 0.000089999999999 110-67-8 61032 144207408 A A 3-Methoxypropionitrile N#CCCOC Tox21_200210 -NCGC00025303-06 196712497 tox21-ror-cho-viability-p1 set2 4 1.46691758 2.28118489 2.05836426 -1.08959677 -1.92291062 -0.23058148 -0.59928835 -0.87559882 0.05599024 3.60266946 -0.8194428 0.71736731 -0.71668895 3.03527743 3.50401383 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84225-95-6 3033769 170466218 A Raclopride CCN2CCC[C@H]2CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC Tox21_110961_1 -NCGC00259341-01 196712073 tox21-ror-cho-viability-p1 set2 -2.2 38.3355515749 -56.0724479244 -4.332409191 -60.4048571154 0.8999999999 0.827125392 0.0042489562 -0.57055618 -5.00582904 -3.90043761 -13.76577467 -0.12280884 -6.8783494 0.38372912 -7.33867452 -1.09115939 -9.49572988 -17.18534885 -9.52212836 -32.00179229 -24.25176446 -47.94036279 1.1739999999E-9 2.626E-9 5.871E-9 1.3129999999E-8 2.9349999999E-8 6.564E-8 1.468E-7 3.282E-7 7.339E-7 0.000001641 0.000003669 0.000008205 0.00001835 0.00004102 0.00009173 57-83-0 5994 144208990 A A Progesterone CC(=O)[C@H]2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_201792 -NCGC00260278-01 196712079 tox21-ror-cho-viability-p1 set2 4 -0.64640214 -0.22732145 -1.38493327 -5.48345423 -1.0704564 -11.67152293 -0.47196203 -0.90170864 -7.30765945 -8.69605017 0.44540753 -4.08501852 0.70386105 1.05939364 -7.21962208 5.869E-11 1.312E-10 2.9349999999E-10 6.562E-10 1.467E-9 3.2809999999E-9 7.3359999999E-9 1.64E-8 3.6679999999E-8 8.2019999999E-8 1.834E-7 4.101E-7 9.171E-7 0.000002051 0.000004585 10039-54-0 24846 144209928 Hydroxylamine sulfate (2:1) [NH3+]O.[NH3+]O.[O-]S([O-])(=O)=O Tox21_202730 -NCGC00357247-01 196711879 tox21-ror-cho-viability-p1 set2 4 43.2771256911 16.839310036 1.160689964 18 0.6 0.6411822463 0.0701422819 3.90514073 -0.15123262 -0.69942503 3.21345665 -0.55319384 4.31828084 1.85012871 4.94840933 7.59619405 1.31560937 2.25604669 4.99965912 6.20117211 9.18539034 13.71352996 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-05-0 31282 251919860 F 1,2-Bis((chlorocarbonyl)oxy)ethane ClC(=O)OCCOC(=O)Cl Tox21_304040 -NCGC00257773-01 196711485 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -100.0450346934 -6.31962339 -106.3646580834 4.9549173134 0.9582360072 0.0000031139 -6.37044382 -1.14059583 -5.32546491 -8.36290074 -5.31860456 -4.67685407 -11.11111075 -4.29446102 0 -7.48442837 -12.0992103 -15.21929467 -5.98028464 -6.64415522 -88.1962339 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 538-71-6 10866 144207417 A A Domiphen bromide [Br-].CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 Tox21_200219 -NCGC00357108-01 196711880 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -27.4406374559 -3 -30.4406374559 3.9294729863 0.6334940327 0.0742606295 -0.19943422 0.92805826 -0.54161008 -0.06749568 1.4883533 0.15359597 -7.99615359 -4.49908815 -8.46447471 -6.57720495 1.09900451 -12.18649396 -1.17556159 -6.0956201 -24.11719788 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2426-54-2 17050 251919889 A 2-(Diethylamino)ethyl acrylate O=C(C=C)OCCN(CC)CC Tox21_303835 -NCGC00260214-01 196711896 tox21-ror-cho-viability-p1 set2 2.4 54.5935042736 22.865155296 3.134844704 26 0.8999999999 0.7374800199 0.0235616293 0.50882503 5.58239967 -0.30429608 2.42535237 0.78679697 2.14845236 5.35108765 9.3897729 5.16416816 3.51449968 5.36857109 3.02739241 5.86021251 15.29494283 19.91330884 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004128 0.00009231 NOCAS_49385 57369982 144209864 A A 1-Butyl-1-methylpiperidinium hexafluorophosphate F[P-](F)(F)(F)(F)F.C[N+]1(CCCC)CCCCC1 Tox21_202666 -NCGC00357013-01 196711898 tox21-ror-cho-viability-p1 set2 4 5.85578452 4.04815933 4.81940207 3.2011096 3.70032452 6.5589736 8.11155243 10.7595623 8.60500321 8.61092947 9.03088169 9.27498158 8.3673525 3.96675919 -1.84005145 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 2439-01-2 17109 251919707 F Chinomethionate Cc1ccc2nc3SC(=O)Sc3nc2c1 Tox21_303968 -NCGC00260549-01 196711903 tox21-ror-cho-viability-p1 set2 4 -2.49303202 -7.65386198 -14.34738272 -7.84834333 -6.52570429 -28.1637006 0 -44.22337463 -2.05320096 0 -11.09418963 -3.17189325 0 -8.35547107 -1.24689453 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49445 144210202 M M NTP Mix57 CT1 62-EQP Tox21_203004 -NCGC00260430-01 196712314 tox21-ror-cho-viability-p1 set2 2.4 38.1788668259 20 2 22 0.8999999999 0.8031135704 0.0075238962 1.86185931 3.19021674 0.80326895 3.30547908 1.80526762 2.73483755 1.60944657 3.04602379 7.62271022 6.08015898 4.7485006 3.51106797 6.5624753 11.68636638 18.44249706 1.1699999999E-9 2.6159999999E-9 5.851E-9 1.3079999999E-8 2.925E-8 6.5409999999E-8 1.463E-7 3.271E-7 7.3129999999E-7 0.000001635 0.000003657 0.000008176 0.00001828 0.00004088 0.00009141 16452-01-0 27882 144210082 A B 3-Methoxy-4-methylaniline Cc1ccc(N)cc1OC Tox21_202884 -NCGC00259213-01 196708997 tox21-ror-cho-viability-p1 set2 4 -0.60457097 1.85874531 1.27608251 2.13705481 3.57337126 1.86959549 1.58755818 2.83274429 1.97429332 2.26561399 1.73352606 0.60448937 0.05558024 -1.15469942 1.99130741 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004129 0.000092319999999 122-42-9 24685 144208862 A A Propham CC(C)OC(=O)Nc1ccccc1 Tox21_201664 -NCGC00259821-01 196708599 tox21-ror-cho-viability-p1 set2 4 -0.882324 3.02168267 0.49312614 -1.48499124 -0.35456715 2.66786713 -1.44730977 0.03298698 -0.06195606 -1.32542093 0.11543597 -0.22847153 -0.78819005 1.92709092 -1.27784261 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.56E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003667 0.0000082 0.00001834 0.000041 0.00009168 94-74-6 7204 144209470 A A MCPA Clc1cc(C)c(OCC(=O)O)cc1 Tox21_202272 -NCGC00259806-01 196708995 tox21-ror-cho-viability-p1 set2 -2.2 43.1891193367 -49.1269544523 0.9325127999 -48.1944416524 2.4063783767 0.962650155 0.0000016729 4.23968893 0.27385387 0.68783505 0.09639349 1.47988956 -5.88030826 2.379593 3.38321101 0.73158875 2.44501934 -0.02962844 -0.8707687 -2.01604409 -22.30255803 -41.43518307 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018399999999 0.00004115 0.000092019999999 33229-34-4 36383 144209455 A A HC Blue 2 OCCN(CCO)c1ccc(NCCO)c(c1)[N+]([O-])=O Tox21_202257 -NCGC00259054-01 196708996 tox21-ror-cho-viability-p1 set2 4 0.0024633805 15.352778816 -2.352778816 13 0.7 0.3094307856 0.3735761395 -1.12731568 13.58931775 3.16017103 12.7149698 1.23825271 17.13604052 12.94620106 14.73815169 13.12262364 14.37913059 14.07707958 4.68652694 16.11898462 14.49783894 2.47253297 1.1919999999E-9 2.6649999999E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.662E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004164 0.000093099999999 6055-19-2 22420 144208701 A Fc Cyclophosphamide monohydrate O.O=P1(NCCCO1)N(CCCl)CCCl Tox21_201503 -NCGC00258900-01 196708999 tox21-ror-cho-viability-p1 set2 4 0.0020080603 13.9812307319 -14.4812307319 -0.5 2.8472712143 0.7202209396 0.030197623 -11.65102561 -4.75682654 -0.98571334 0.97298424 1.32817826 -0.65290864 0.71335931 0.21967278 0.43348171 -0.7178605 0.99266905 -0.45587572 -4.21589945 -1.21052353 -5.2305216 1.218E-9 2.723E-9 6.0889999999E-9 1.3619999999E-8 3.045E-8 6.808E-8 1.522E-7 3.4039999999E-7 7.611E-7 0.000001702 0.000003806 0.00000851 0.00001903 0.00004255 0.00009514 79-19-6 2723789 144208546 Z Z Thiosemicarbazide NC(=S)NN Tox21_201348 -NCGC00163843-03 196709009 tox21-ror-cho-viability-p1 set2 4 -0.29915917 -0.92845734 0.15503776 -0.53905516 -0.74168131 0.41814999 -4.8075501 -0.62508309 -0.73585397 -1.29391186 -0.21671977 -1.46946024 0.74026377 -5.37977242 -6.62417024 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00256867-01 196726858 tox21-ror-cho-viability-p1 set3 4 15.3553036427 9.466177952 -2.466177952 7 1.8079476909 0.8261443036 0.0044621339 -1.74356062 -0.70412875 -2.3836362 -0.12020587 -4.41517576 -3.52093135 -4.97181496 -0.88340349 -3.34653281 -2.97251286 -0.94417116 0.41713408 1.91977987 7.19093049 5.78679283 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1331-83-5 7695 144213043 A A Methoxybenzyl acetate COc1ccc(COC(C)=O)cc1 Tox21_302726 -NCGC00257243-01 196726460 tox21-ror-cho-viability-p1 set3 4 26.3094172967 -8.8517605799 -0.5 -9.3517605799 4.9549173134 0.5229009665 0.1776217966 0.04702287 -4.10061951 4.59886353 -0.77152949 -0.24372923 0.82671228 -0.261407 -4.15136958 -0.62717737 -0.57105403 -1.28507672 -0.17976093 -1.28932436 -8.62646715 -4.55970681 1.144E-9 2.559E-9 5.7219999999E-9 1.2789999999E-8 2.861E-8 6.397E-8 1.4299999999E-7 3.199E-7 7.1519999999E-7 0.0000015989999999 0.0000035759999999 0.000007996 0.000017879999999 0.000039979999999 0.0000894 989-51-5 65064 144213767 A A (-)-Epigallocatechin gallate Oc1cc(cc(O)c1O)C(=O)O[C@@H]3Cc2c(cc(O)cc2O)O[C@@H]3c4cc(O)c(O)c(O)c4 Tox21_303457 -NCGC00257245-01 196726461 tox21-ror-cho-viability-p1 set3 -3 27.3060203028 -38.0693312478 -0.1051051169 -38.1744363647 4.9549173134 0.9542745423 0.0000131353 -0.59881612 -2.80636255 -0.46528836 -0.08930182 0.42615253 0.9382739 1.28601329 0.19088409 -1.44318684 0.74516808 -0.22786989 -2.56537311 -1.42964566 -39.76503788 -0.67539455 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2304-30-5 75311 144213793 A A Tetrabutylphosphonium chloride [Cl-].CCCC[P+](CCCC)(CCCC)CCCC Tox21_303484 -NCGC00257240-01 196726857 tox21-ror-cho-viability-p1 set3 -1.1 19.3311819617 -95.1998413648 -2.348134658 -97.5479760228 1.713743691 0.969513725 5.314E-7 -0.28893233 -6.43492968 0.6002871 -0.14481394 -0.7442279 -1.67654293 -0.63457823 -9.22831079 -0.88813069 -1.88182409 -9.85868511 -26.43739362 -37.51025388 -87.88105948 -86.44020204 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 1192-52-5 14503 144213717 F 4,5-Dichloro-3H-1,2-dithiol-3-one O=C1SSC(Cl)=C1Cl Tox21_303406 -NCGC00256496-01 196726872 tox21-ror-cho-viability-p1 set3 4 2.61531937 1.84849192 -1.87461257 2.5586793 0.63835294 -0.71046091 1.61569324 0.73276276 1.19886442 -0.82808119 3.07216783 3.41359982 0.60372818 1.25790659 -1.89787177 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 61-76-7 5284443 144213163 A A Phenylephrine hydrochloride Cl.O[C@@H](CNC)c1cc(O)ccc1 Tox21_302846 -NCGC00257186-01 196727278 tox21-ror-cho-viability-p1 set3 -1.1 19.3311819617 -75.5482812622 1.093228133 -74.4550531292 2.9022712143 0.9943960063 0 0.47458997 3.64637318 -1.97156871 1.92225104 2.27085029 -0.22955337 2.7390132 3.32527817 -1.14857631 -1.0551568 -2.17991223 -3.595996 -33.0973681 -65.51451599 -75.42134549 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-10-5 14868 144213540 A A Tribromsalan Oc1c(cc(Br)cc1Br)C(=O)Nc2ccc(Br)cc2 Tox21_303223 -NCGC00257448-01 196727292 tox21-ror-cho-viability-p1 set3 4 2.33838292 -0.9689653 1.24774632 1.82617976 -0.17902258 2.13339257 1.14448445 -0.9224667 -0.86516519 2.25019379 3.26133062 0.25360836 0.99211725 2.10725143 0.66629695 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 109-02-4 7972 144213713 Fns 4-Methylmorpholine CN1CCOCC1 Tox21_303402 -NCGC00256525-01 196727297 tox21-ror-cho-viability-p1 set3 4 -0.80861254 -1.84337311 -2.85535159 -3.20856073 -2.22979324 -0.64887921 -5.1035277 -2.93469261 -0.60177388 0.11453487 -0.08353222 -0.04242147 -0.9505653 4.54636007 4.54190955 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-78-1 16666 144213316 A Ac dl-Menthol CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O Tox21_302999 -NCGC00254807-01 196720769 tox21-ror-cho-viability-p1 set3 4 4.73360923 4.61517553 -4.80964491 1.83114227 -0.53928005 1.40629866 4.21232407 2.49823437 17.75268065 18.2944483 15.36770261 -7.95937007 15.92324635 -5.54467286 8.32674642 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10042-59-8 24847 144211220 A A 2-Propyl-1-heptanol CCCCCC(CCC)CO Tox21_300903 -NCGC00015565-06 196698272 tox21-ror-cho-viability-p1 set1 4 0.64785848 2.57714153 1.64724926 0.31718596 0.12731804 0.21490291 3.7045801 1.64636035 -4.652805 1.11685308 2.8524792 0.71687888 -0.26112368 1.97992886 0.95822797 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 36504-56-0 5702132 170466357 A Iproniazid sulfate O=C(NNC(C)C)c1ccncc1.O=S(=O)(O)O Tox21_111341_1 -NCGC00254561-01 196720339 tox21-ror-cho-viability-p1 set3 4 0.0038570779 20.112372516 -20.112372516 0 0.5 0.692690442 0.0509103092 -11.85608684 -16.76031043 -5.19005441 -2.77759529 -7.48086626 -8.25457844 0.23644602 -2.26862464 -3.93157343 -0.37533077 1.16247559 -1.05996218 1.09515841 -0.55124339 -13.94095411 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103112-35-2 3033865 144210970 A A Fenchlorazole-ethyl ClC(Cl)(Cl)c2nc(nn2c1ccc(Cl)cc1Cl)C(=O)OCC Tox21_300653 -NCGC00244580-01 196720352 tox21-ror-cho-viability-p1 set3 4 19.3311819617 -12.0054407599 3.5 -8.5054407599 2.1876167061 0.4202432246 0.252733468 2.74326281 -0.06380411 6.13695829 11.70385529 -3.73408127 -3.75643527 1.76832749 0.56655363 5.17155777 12.01173807 3.63765233 1.01887857 -1.91401763 -6.3680285 -8.3378673 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00254753-01 196720761 tox21-ror-cho-viability-p1 set3 4 1.21461879 10.98013157 3.24811084 5.00065393 9.02061969 -0.66176926 3.16096065 -4.67614875 -1.81484861 10.29783821 10.27897404 -5.19843119 9.33241951 4.15842408 6.60851115 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-61-9 8482 144211167 A A 4'-Sulfamylacetanilide O=S(N)(=O)c1ccc(NC(C)=O)cc1 Tox21_300850 -NCGC00259502-01 196721155 tox21-ror-cho-viability-p1 set3 4 0.0138526068 8.4745406399 -7.9745406399 0.5 4.9549173134 0.5183496911 0.1628834582 -9.5621172 -5.7576222 -7.50171981 -5.15448078 6.62348507 4.77989796 0.24788069 0.99573432 0.57715014 0.42862503 -1.07192704 2.38502501 -3.34758652 -7.65250178 2.17890887 1.1919999999E-9 2.6659999999E-9 5.9609999999E-9 1.333E-8 2.981E-8 6.6649999999E-8 1.49E-7 3.332E-7 7.451E-7 0.0000016659999999 0.000003726 0.0000083309999999 0.00001863 0.000041649999999 0.000093139999999 2467-03-0 75576 144209151 A A 2-(4-Hydroxybenzyl)phenol Oc2ccccc2Cc1ccc(O)cc1 Tox21_201953 -NCGC00259188-01 196721163 tox21-ror-cho-viability-p1 set3 4 -6.87356476 -4.64340027 -4.98083703 -4.43844252 -3.10675647 -1.26942837 -1.63137957 -2.5378028 -0.14896751 1.50536719 -0.6585962 -1.37107385 0.19980038 0.87579324 1.44417785 1.1469999999E-9 2.564E-9 5.733E-9 1.282E-8 2.866E-8 6.4089999999E-8 1.433E-7 3.205E-7 7.1659999999E-7 0.000001602 0.000003583 0.000008012 0.00001791 0.00004006 0.000089569999999 108-95-2 996 144208837 A A Phenol Oc1ccccc1 Tox21_201639 -NCGC00259821-01 196721166 tox21-ror-cho-viability-p1 set3 4 0.70944876 5.84576247 -15.77382032 1.50247692 -0.07894873 0.94052234 1.35663193 -2.32268402 -0.66120076 1.85484108 0.25869453 -0.25689482 3.43204751 0.51643948 -0.37658878 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.56E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003667 0.0000082 0.00001834 0.000041 0.00009168 94-74-6 7204 144209470 A A MCPA Clc1cc(C)c(OCC(=O)O)cc1 Tox21_202272 -NCGC00258804-01 196721167 tox21-ror-cho-viability-p1 set3 4 48.4589889209 15.5700152719 -5.0700152719 10.5 3.5117481694 0.6324900746 0.0753085386 -3.05190403 -7.11176436 -8.42610434 -6.30792929 -10.05834606 -0.64776729 -1.72198406 -5.35384235 -5.96775673 -0.01987493 -3.08474734 -5.17304544 -6.97076041 1.14763649 8.72200886 1.1779999999E-9 2.633E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.00000368 0.00000823 0.000018399999999 0.00004115 0.00009201 10016-20-3 444913 144208450 A A alpha-Cyclodextrin O[C@@H]2[C@@H](O)[C@@H]1O[C@H]7O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]2O[C@@H]1CO)[C@H](O)[C@H]3O)[C@H](O)[C@H]4O)[C@H](O)[C@H]5O)[C@H](O)[C@H]6O)[C@H](O)[C@H]7O Tox21_201252 -NCGC00259540-01 196721173 tox21-ror-cho-viability-p1 set3 4 21.3595013934 11.8521588999 -3.8521588999 8 1.8851180601 0.6419438809 0.0694066212 -2.22158957 -10.29346575 0.09740786 -7.11403732 -4.29228 -3.96511484 -4.50583763 -1.94656997 -5.49914622 -1.33781387 -3.13691631 -0.61222672 -1.69558286 8.15519609 5.67012133 1.165E-9 2.606E-9 5.827E-9 1.303E-8 2.9129999999E-8 6.515E-8 1.457E-7 3.2569999999E-7 7.284E-7 0.000001629 0.0000036419999999 0.000008143 0.00001821 0.000040719999999 0.000091049999999 538-93-2 10870 144209189 FNS Isobutylbenzene CC(C)Cc1ccccc1 Tox21_201991 -NCGC00259663-01 196721175 tox21-ror-cho-viability-p1 set3 4 12.98384765 13.28843307 8.62455797 11.83267377 12.16557929 14.91195516 14.20879211 13.13502473 14.19041891 8.64790077 11.38060668 15.15706133 15.5298362 10.10127899 12.36589165 1.1989999999E-9 2.68E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.701E-8 1.4979999999E-7 3.351E-7 7.492E-7 0.000001675 0.000003746 0.0000083759999999 0.00001873 0.00004188 0.00009365 603-35-0 11776 144209312 C Triphenylphosphine c1ccccc1P(c2ccccc2)c3ccccc3 Tox21_202114 -NCGC00259749-01 196721557 tox21-ror-cho-viability-p1 set3 4 0.0194098439 -5.442395548 -8.894148792 -14.33654434 4.4494702849 0.3678222556 0.3208021438 -12.81259847 -8.27310158 -6.16179066 -9.68954741 -13.88859547 -17.44557063 -14.14919545 -16.15106192 -18.61378695 -8.5549513 -13.3609133 -13.36399378 -18.06050272 -9.45224129 -7.84727356 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 1917-15-3 74710 144209398 A A 5-Methyl-2-furancarboxylic acid O=C(O)c1ccc(C)o1 Tox21_202200 -NCGC00256958-01 196719353 tox21-ror-cho-viability-p1 set2 4 -7.34386777 -3.08434596 -2.02778849 -2.9829583 -3.27734385 -0.84963793 -6.1939871 -1.16113862 0.45117918 0.63036884 0.42598674 2.10787402 -1.73285009 0.20353643 -1.33694616 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-42-9 7932 144213516 A A 3-Chloroaniline Nc1cc(Cl)ccc1 Tox21_303199 -NCGC00256319-01 196719354 tox21-ror-cho-viability-p1 set2 4 -1.27932219 2.8341166 2.77537701 -1.91497159 -0.57021095 4.91493305 1.76258348 0.36131065 9.31425571 2.75105795 7.43950524 2.10086569 1.20167321 -0.16497032 0.45509999 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 612-82-8 108938 144213115 A B 3,3'-Dimethylbenzidine dihydrochloride Cl.Cl.Cc1cc(ccc1N)c2ccc(N)c(C)c2 Tox21_302798 -NCGC00256628-01 196719344 tox21-ror-cho-viability-p1 set2 4 0.58848454 -3.00884867 -1.94493484 -3.21449478 -0.81704202 -3.20005123 -0.36528676 -3.51779353 -2.86841887 -1.29436024 -3.58125559 0.01650863 -4.74005925 0.35898159 -1.33410054 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17102-64-6 641256 144212865 Fns (2E,4E)-Hexa-2,4-dien-1-ol C\C=C\C=C\CO Tox21_302548 -NCGC00257406-01 196719342 tox21-ror-cho-viability-p1 set2 -2.1 28.0703581023 -61.7376073861 1.5422811205 -60.1953262656 2.9022712143 0.9788552344 6.55E-8 -0.4177501 0.62322615 -0.60983628 1.89267103 -1.55460951 3.66809881 1.69014169 6.45091273 -1.51021075 3.46135 2.21523221 3.68778814 -13.63406335 -40.72039474 -62.70346486 1.097E-9 2.4529999999E-9 5.486E-9 1.2269999999E-8 2.7429999999E-8 6.133E-8 1.371E-7 3.0669999999E-7 6.857E-7 0.0000015329999999 0.0000034289999999 0.000007667 0.00001714 0.000038329999999 0.000085709999999 1062243-51-9 25015677 144213826 A A PharmaGSID_48511 CN5CCC(NC(=O)c4ccc(Nc1nc2N(CC(F)(F)C(=O)N(C)c2cn1)C3CCCC3)c(OC)c4)CC5 Tox21_303518 -NCGC00257226-01 196719357 tox21-ror-cho-viability-p1 set2 4 -0.43242073 -2.86271231 2.51725139 1.00721571 -1.16662102 2.93457086 1.34753169 -1.88512658 0.99662424 2.68670945 10.18033996 0.37300345 -0.18902616 0.19030052 -1.1907349 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-25-2 6877 144213514 A A Ethyl anthranilate Nc1ccccc1C(=O)OCC Tox21_303197 -NCGC00254867-01 196719758 tox21-ror-cho-viability-p1 set3 4 0.0096294552 16.565010356 -17.065010356 -0.5 0.9999999999 0.7727960738 0.0179927336 -14.1670387 -15.88750863 -9.78977271 -3.7314783 -9.01880362 -4.46818023 2.55621837 0.20787779 -0.76117781 0.58145007 -5.38341734 1.48485931 1.93166594 -3.22962041 -13.26548783 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.00009175 4712-55-4 6327546 144211527 A A Diphenyl phosphite O=P(Oc1ccccc1)Oc2ccccc2 Tox21_301210 -NCGC00254901-01 196719777 tox21-ror-cho-viability-p1 set3 4 0.0023030783 21.509774636 -22.009774636 -0.5 0.5 0.5640074384 0.1244351934 -15.00814553 -12.54884486 -5.48865479 -3.85814795 -6.79640068 -4.61801597 -5.86587149 0.15207782 -1.53921541 -1.75364503 -2.80411865 -1.12706658 -8.58562872 0.65067104 8.6608904 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 106-69-4 7823 144211316 D 1,2,6-Hexanetriol OCCCCC(O)CO Tox21_300999 -NCGC00254274-01 196720177 tox21-ror-cho-viability-p1 set3 4 -3.79859331 -7.18951718 -0.27810062 5.17027044 1.70226255 4.20225687 -10.36612178 -8.99617958 1.51372303 -20.34504376 -9.46124812 -8.52128721 5.02473984 2.97138398 -8.82875714 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55290-64-7 41385 144210741 A Ac Dimethipin O=S1(=O)CCS(=O)(=O)C(C)=C1C Tox21_300423 -NCGC00254134-01 196720188 tox21-ror-cho-viability-p1 set3 4 13.2583538 1.79245766 4.35026492 2.56778723 9.42697566 12.14906731 9.78494001 0.42454461 5.83020266 1.8640122 0.7926574 6.10874243 10.7229628 13.05302633 3.24553557 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 72-54-8 6294 144210511 A A p,p'-DDD Clc1ccc(cc1)C(C(Cl)Cl)c2ccc(Cl)cc2 Tox21_300191 -NCGC00254840-01 196720189 tox21-ror-cho-viability-p1 set3 -3 15.3553036427 -61.2646616852 -11.107786366 -72.3724480512 2.7202212143 0.8869614672 0.001757921 -17.12799168 -17.17007882 -11.91118491 -7.3863865 -12.99638691 -13.10571547 -9.67390558 -9.95352641 -7.60066542 -8.28790439 -10.51058148 -13.27574369 -54.82761216 -41.85854735 3.47951841 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1070-70-8 70613 144211255 A A 1,4-Butanediol diacrylate O=C(OCCCCOC(=O)C=C)C=C Tox21_300938 -NCGC00254289-01 196720197 tox21-ror-cho-viability-p1 set3 4 -5.96830631 -8.66430705 -0.03848215 1.0738998 -0.76472031 2.29875017 -3.4975039 -7.30352597 -6.68773348 -5.51378433 -3.53199255 -6.4883373 -5.54468768 -1.24428754 -4.50401184 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-60-3 7615 144210869 A A N,N,N',N'-Tetrakis(2-Hydroxypropyl)ethylenediamine CC(O)CN(CC(C)O)CCN(CC(C)O)CC(C)O Tox21_300552 -NCGC00254554-01 196720604 tox21-ror-cho-viability-p1 set3 4 0.0068589622 15.754524356 -2.254524356 13.5 0.6 0.5839087618 0.1238124167 4.14865173 -2.71210363 8.91761123 8.21555088 9.11521172 8.76071816 9.20465167 13.04626666 11.26085097 18.43687181 8.90030635 18.68990096 10.28563401 12.90705489 5.70112157 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10024-93-8 66204 144210963 Neodymium(III) chloride Cl[Nd](Cl)Cl Tox21_300646 -NCGC00254045-01 196720606 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -46.3029153423 -4.189423062 -50.4923384043 4.4494702849 0.8123730932 0.0060662359 -4.97672889 -7.32501224 -1.36887489 -15.35577717 -4.81121506 -0.31674145 -10.57485309 -6.49277939 -7.982829 -0.25977073 -4.58699306 -0.48172962 0.99094395 -8.21695374 -40.90328667 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-15-9 6629 144210603 D Cumene hydroperoxide OOC(C)(C)c1ccccc1 Tox21_300283 -NCGC00257959-01 196729790 tox21-ror-cho-viability-p1 set3 4 0.4711867 0.61034302 0.33835185 0.48934085 -1.32728124 -2.89821338 -0.05395001 0.91876519 5.75658612 -2.847496 3.49004093 2.01842204 1.04357436 1.17523336 -1.57571093 1.172E-9 2.6199999999E-9 5.859E-9 1.31E-8 2.9299999999E-8 6.551E-8 1.465E-7 3.275E-7 7.324E-7 0.0000016379999999 0.000003662 0.000008188 0.00001831 0.00004094 0.000091549999999 505-29-3 10452 144207603 A A 1,4-Dithiane C1CSCCS1 Tox21_200405 -NCGC00258107-01 196730188 tox21-ror-cho-viability-p1 set3 4 0.195082461 -7.4779004639 2 -5.4779004639 4.9549173134 0.6019042867 0.1101422306 1.06199485 5.92077641 1.01264382 0.79040384 2.18526337 -0.70712195 1.76481348 -6.80880189 -8.73158372 -6.99023081 -1.77085756 -8.2628353 -5.58863416 1.27909253 0.50956636 1.189E-9 2.658E-9 5.9439999999E-9 1.3289999999E-8 2.9719999999E-8 6.646E-8 1.486E-7 3.323E-7 7.4299999999E-7 0.0000016609999999 0.0000037149999999 0.000008307 0.000018579999999 0.00004154 0.000092879999999 848641-69-0 53316406 144207751 A A 1-Ethyl-3-methylimidazolium diethylphosphate C[n+]1ccn(CC)c1.[O-]P(=O)(OCC)OCC Tox21_200553 -NCGC00257701-01 196729781 tox21-ror-cho-viability-p1 set3 4 1.44501868 3.62364707 2.76995727 2.41209125 1.00685769 1.77523274 -1.64074176 -1.91561434 4.04785629 2.51043309 -1.34733954 2.2988935 -1.74513005 0.79962418 -0.2213151 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.976E-8 6.656E-8 1.4879999999E-7 3.3279999999E-7 7.441E-7 0.0000016639999999 0.000003721 0.000008319 0.0000186 0.0000416 0.00009301 616-21-7 12017 144207345 FNS 1,2-Dichlorobutane CCC(Cl)CCl Tox21_200147 -NCGC00258692-01 196729787 tox21-ror-cho-viability-p1 set3 4 0.26295945 0.56338362 1.8225803 0.85141784 0.67415799 0.22598089 1.03573458 0.94865797 -0.36869316 1.34007248 -0.19732086 0.97335696 -1.02770566 0.54781511 4.02083835 1.241E-9 2.775E-9 6.2049999999E-9 1.387E-8 3.1019999999E-8 6.9369999999E-8 1.5509999999E-7 3.4689999999E-7 7.7559999999E-7 0.0000017339999999 0.000003878 0.0000086709999999 0.00001939 0.00004336 0.00009695 142-28-9 8881 144208338 AC Fc 1,3-Dichloropropane ClCCCCl Tox21_201140 -NCGC00258443-01 196730207 tox21-ror-cho-viability-p1 set3 4 0.001371056 48.83796821 43.39997956 29.68937627 20.39662173 10.69066023 16.15271232 0.77159309 -1.8622995 0.04350783 -1.1689152 -0.47875844 -0.93702189 9.19473185 14.59763033 14.1381915 1.211E-9 2.707E-9 6.053E-9 1.3539999999E-8 3.027E-8 6.768E-8 1.5129999999E-7 3.3839999999E-7 7.567E-7 0.0000016919999999 0.0000037829999999 0.00000846 0.00001892 0.0000423 0.00009459 97-64-3 7344 144208087 A A Ethyl lactate CC(O)C(=O)OCC Tox21_200889 -NCGC00258545-01 196730605 tox21-ror-cho-viability-p1 set3 4 42.1792041519 -14.0949679 -1 -15.0949679 2.4063783767 0.669946943 0.0533742178 -2.40012023 1.48126116 -3.51128681 -3.34018606 1.37685346 -2.9187151 -1.9184955 -0.05277383 -2.31615945 -0.09111937 -2.70170968 -0.30664509 3.11374688 -10.59941063 -12.16247325 1.155E-9 2.583E-9 5.775E-9 1.291E-8 2.8879999999E-8 6.457E-8 1.444E-7 3.2279999999E-7 7.2189999999E-7 0.000001614 0.0000036089999999 0.000008071 0.000018049999999 0.00004035 0.000090239999999 5131-58-8 21208 144208190 A A 4-Nitro-1,3-benzenediamine O=[N+]([O-])c1ccc(N)cc1N Tox21_200992 -NCGC00254382-01 196699869 tox21-ror-cho-viability-p1 set1 4 -1.06705655 1.80503814 -0.88427883 2.52155675 1.13441243 2.55084826 1.78845443 0.55766288 -0.31554029 -1.06540989 -2.36470352 0.55150039 -1.06714686 -2.63245471 -1.75885932 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 402910-27-4 9969177 144210772 A A UK-416244 Cc1cc(ccc1SC)Oc2ccc(cc2CN(C)C)S(N)(=O)=O Tox21_300454 -NCGC00254243-01 196699876 tox21-ror-cho-viability-p1 set1 -1.2 27.3060203028 -39.3720265389 -1.105180276 -40.4772068149 4.5044702849 0.9950697793 0 -1.02946728 -0.31038205 -2.02393399 -1.22794651 -1.67123467 0.31838196 -0.66761425 -1.99105795 -0.52604913 -2.93953669 0.38787451 -0.48967721 -7.04444057 -34.97615767 -40.66392825 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-20-2 7547 144210799 A A Triclocarban Clc2ccc(NC(=O)Nc1ccc(Cl)cc1)cc2Cl Tox21_300481 -NCGC00254381-01 196699888 tox21-ror-cho-viability-p1 set1 -2.1 61.130564862 -118.6354995077 -2.2975670059 -120.9330665136 1.8616924601 0.9491980959 0.0000091641 0.36453663 -0.19847907 0.00832442 -0.90692471 1.35971058 -8.21932633 -1.96814158 -0.67418155 -0.15726374 -1.78204728 -2.00422156 -8.85217009 -26.21319494 -30.63194665 -91.61595948 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 676116-04-4 9984487 144210755 A A PD 0343701 CS(=O)(=O)O.Cc2cc(cc1c2NC(=O)CC1(C)C)CCN3CCN(CC3)c5nsc4ccccc45 Tox21_300437 -NCGC00095042-06 196700283 tox21-ror-cho-viability-p1 set1 4 57.4322316456 21.312887908 -3.812887908 17.5 2.3531167061 0.6049943205 0.0935627889 -3.26578516 1.16681279 -3.70021595 -5.34239142 -13.17740659 -5.24158002 -4.70572425 -8.82690448 -2.73299239 0.26029332 1.01956055 -4.10830431 -1.087853 2.4211218 12.76074857 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00255952-01 196700295 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -14.499592828 0 -14.499592828 4.9549173134 0.7811581639 0.0117961751 0.62322454 0.06478899 0.84844451 0.70396688 -0.29738183 1.44254892 1.34968522 -3.13451588 -3.30411868 1.37500451 -0.81284764 -0.32665847 0.85889509 0.82562202 -11.24966069 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 34643-46-4 36870 144211536 A F Prothiofos Clc1cc(Cl)ccc1OP(=S)(OCC)SCCC Tox21_301219 -NCGC00256068-01 196700297 tox21-ror-cho-viability-p1 set1 4 10.8707224818 -16.52003816 -4.453422712 -20.973460872 0.4 0.7871092887 0.0104313755 -6.00142572 -4.16083758 -4.12785226 -5.81502699 -6.05812394 -9.3661071 -4.86329831 -5.37137455 -12.03625302 -9.22227016 -13.74884731 -9.62679079 -12.01536224 -14.60668433 -17.47788406 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5232-99-5 243274 144211994 A A Ethyl 2-cyano-3,3-diphenylacrylate O=C(OCC)C(\C#N)=C(\c1ccccc1)c2ccccc2 Tox21_301677 -NCGC00255108-01 196700307 tox21-ror-cho-viability-p1 set1 4 24.3365162115 11.5191370239 -2.5191370239 9 0.9641 0.5337341028 0.1502362494 -7.51594752 -3.20809141 1.01146165 2.03274509 -5.93570903 -1.13257899 0.32789408 -4.98959059 -4.07268767 0.47594114 0.37744498 -0.31961838 0.77372996 6.10443917 6.13088995 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 53-06-5 222786 144211757 A A Cortisone OCC(=O)[C@@]3(O)CC[C@H]2[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4C(=O)C[C@@]23C Tox21_301440 -NCGC00255791-01 196700718 tox21-ror-cho-viability-p1 set1 4 -5.24736245 -0.45279576 -3.95328182 -5.03843497 -3.42517696 -4.79945952 1.86638799 -8.9605543 -5.3986738 1.72880646 -5.90620437 -5.1606284 -7.92644961 -2.63301608 -2.03816783 1.163E-9 2.601E-9 5.816E-9 1.301E-8 2.908E-8 6.503E-8 1.454E-7 3.2509999999E-7 7.27E-7 0.0000016259999999 0.0000036349999999 0.0000081279999999 0.00001818 0.00004064 0.00009088 75277-39-3 2724248 144212472 Ac Sodium 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate [Na+].OCCN1CCN(CC1)CCS([O-])(=O)=O Tox21_302155 -NCGC00255728-01 196701115 tox21-ror-cho-viability-p1 set1 4 61.130564862 11.1462580239 -1.1462580239 10 3.2974983358 0.5384312786 0.1472937746 -0.06431754 -5.95521502 -4.12801137 1.38628223 0.4019488 2.27221378 1.60526405 -1.36886056 -2.4808077 -0.34868755 -1.88491232 -1.15941424 -0.8734174 1.22039538 7.84151368 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21799-87-1 23672329 144212413 A A Potassium 2,5-dihydroxybenzenesulfonate [K+].Oc1ccc(O)cc1S(=O)([O-])=O Tox21_302096 -NCGC00024025-05 196698651 tox21-ror-cho-viability-p1 set1 4 1.50152079 2.71081882 2.88677664 0.21343322 1.0876336 0.6190401 1.86551206 -0.23397762 1.89937044 1.03810037 0.66962229 1.90445321 -0.4310764 4.55836159 0.12940771 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 81-23-2 6674 170465502 A Dehydrocholic acid O=C(O)CC[C@@H](C)[C@H]4CC[C@@H]3[C@]4(C)C(=O)C[C@H]2[C@H]3C(=O)C[C@@H]1CC(=O)CC[C@@]12C Tox21_111519_1 -NCGC00016542-06 196697818 tox21-ror-cho-viability-p1 set1 4 0.27541016 3.16540481 1.99348509 0.59095629 -5.40503305 -6.38397591 2.83353478 -6.0770025 -1.03979743 1.51675875 2.97933193 -0.07988752 2.78773759 -4.59167123 -4.68551788 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 829-74-3 164739 170464794 Z Levonordefrin Oc1ccc(cc1O)[C@@H](O)[C@H](C)N Tox21_112051_1 -NCGC00254065-01 196698879 tox21-ror-cho-viability-p1 set1 4 -0.83923453 3.20757934 0.96370376 0.17192357 2.98752847 2.18427643 0.91561223 0.77953743 -2.43142916 -1.47626225 2.74976721 0.52797241 1.14280934 3.06904588 -0.69208095 6.194E-10 1.3849999999E-9 3.097E-9 6.9249999999E-9 1.548E-8 3.4619999999E-8 7.742E-8 1.731E-7 3.8709999999E-7 8.656E-7 0.000001935 0.000004328 0.0000096769999999 0.00002164 0.000048389999999 110-05-4 8033 144210419 FNS Di-tert-butyl peroxide CC(C)(C)OOC(C)(C)C Tox21_300099 -NCGC00016411-10 196698071 tox21-ror-cho-viability-p1 set1 4 1.41936691 6.49609097 5.78355954 0.6341675 -0.0275695 2.90700469 0.78336281 1.73605108 1.12284318 0.2543419 2.13006033 0.32604576 3.23229006 -0.37270133 3.42143277 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 149-16-6 2480 170465459 A Butacaine Nc1ccc(cc1)C(=O)OCCCN(CCCC)CCCC Tox21_110428_1 -NCGC00016373-08 196698467 tox21-ror-cho-viability-p1 set1 -3 33.4914596268 -52.9584175753 1.019695343 -51.9387222323 4.9549173134 0.9822735899 2.36E-8 1.16163226 4.04581048 -0.26567393 1.8826707 0.11778146 1.97749004 -0.85807793 1.71772098 2.46786041 -0.73516501 0.91640398 1.46152397 0.8191747 -0.80242043 -45.56028266 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 121-54-0 8478 170465473 A Benzethonium chloride [Cl-].CC(C)(C)CC(C)(C)c2ccc(OCCOCC[N+](C)(C)Cc1ccccc1)cc2 Tox21_110403_1 -NCGC00249892-01 196698485 tox21-ror-cho-viability-p1 set1 4 0.55101626 -4.02950925 -4.86939468 -4.7321224 0.08735915 -3.65847877 0.07452573 -3.12213156 -4.96155716 -9.65586777 -4.66366588 -1.03430683 -0.78417328 -5.91278235 0.14999488 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 313348-27-5 219024 170465244 A A Lexiscan CNC(=O)c1cn(nc1)c2nc(N)c3ncn(c3n2)[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O Tox21_113668 -NCGC00254756-01 196698887 tox21-ror-cho-viability-p1 set1 -2.1 61.130564862 -94.65197302 -2.238034914 -96.890007934 3.1924983358 0.9874419746 3.2E-9 0.19094919 -0.40181643 -0.4776736 -4.17200137 -1.87212235 -3.35478136 -7.12645416 -4.33831284 -0.7082834 -0.01141975 -0.7593924 -3.6784835 -7.39681076 -22.08362178 -77.18939995 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-09-0 5974 144211170 A A Hexadecyltrimethylammonium bromide [Br-].C[N+](C)(C)CCCCCCCCCCCCCCCC Tox21_300853 -NCGC00254985-01 196698890 tox21-ror-cho-viability-p1 set1 4 1.08880583 0.47547582 0.97103309 1.25650794 0.85061043 0.66302549 1.68093416 0.98023343 -1.28026015 1.2287624 0.89031011 0.34407484 1.99324795 0.5343547 2.38129097 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-95-7 517827 144211401 C 2-Methyl-3-[4-(propan-2-yl)phenyl]propanal CC(C)c1ccc(CC(C)C=O)cc1 Tox21_301084 -NCGC00254923-01 196698895 tox21-ror-cho-viability-p1 set1 4 0.16146718 4.77280651 4.63306772 1.44508773 3.83031575 1.19513696 1.39826876 0.55762103 2.97677918 3.26909203 5.05921335 3.37080735 4.96132547 -1.6062286 -0.39985178 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 1912-24-9 2256 144211338 A A Atrazine Clc1nc(NCC)nc(NC(C)C)n1 Tox21_301021 -NCGC00262920-01 196722993 tox21-ror-cho-viability-p1 set3 4 3.3491459627 -6.8129712599 0.5 -6.3129712599 4.9549173134 0.4936897578 0.1851833027 -1.52031715 1.45734048 1.14475001 3.08719191 1.17782118 -2.5933668 -2.96972852 7.6830399 -3.48637589 -1.30457661 4.6547656 -5.24626534 -5.23914101 -6.92747605 -6.14601278 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1939-27-1 137264 170466712 A A 3-Trifluoromethylisobutyranilide O=C(Nc1cc(ccc1)C(F)(F)F)C(C)C Tox21_113916 -NCGC00164495-02 196722585 tox21-ror-cho-viability-p1 set3 4 -1.44846891 -0.80254432 3.73328407 1.96761073 3.588141 0.50094482 2.72490996 -0.17079169 9.13648969 7.4823534 11.01034401 6.07751578 -6.25823349 -1.12565609 9.68859213 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 555-90-8 6474573 170466536 A Nicothiazone NC(=S)N\N=C\c1cccnc1 Tox21_112133_1 -NCGC00164622-02 196722979 tox21-ror-cho-viability-p1 set3 4 0.3757803576 -7.3516682719 1.5 -5.8516682719 4.9549173134 0.6001245386 0.1114521536 -0.46465382 -0.30344509 1.21192411 -1.04529522 -0.38008189 0.53734882 5.78338562 7.07608781 -2.06039974 -7.90889826 -0.83428348 -7.2854906 -9.45972356 -4.43846307 11.12562183 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 137234-62-9 71616 170464890 A Voriconazole O[C@](Cn1cncn1)([C@@H](C)c2ncncc2F)c3ccc(F)cc3F Tox21_112241_1 -NCGC00253631-01 196722988 tox21-ror-cho-viability-p1 set3 4 3.29059116 0.2580235 -1.76566415 0.72360661 2.16137223 1.28100383 1.52597295 0.01859612 -5.23027279 3.5730064 1.41610422 1.09636916 -1.10215563 2.11174328 1.4271269 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1008-65-7 5380573 170466740 A A Fenadiazole Oc1ccccc1c2nnco2 Tox21_113759 -NCGC00095192-05 196723397 tox21-ror-cho-viability-p1 set3 -2.1 29.8492948118 -73.700181144 -1.951924004 -75.652105148 4.5044702849 0.9316638966 0.0000452276 1.62543831 3.14248575 -1.34386678 -7.47791412 -12.5822526 -8.7324805 0 0 1.11505732 2.52220549 1.92655207 -0.64442158 -4.42960028 -14.09115 -66.37675429 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 145158-71-0 5362436 170466887 A Tegaserod maleate N=C(NCCCCC)N\N=C\c2cnc1ccc(cc12)OC Tox21_111481_1 -NCGC00162232-06 196723401 tox21-ror-cho-viability-p1 set3 4 0.2984929481 -20.7580343479 7 -13.7580343479 4.9549173134 0.6722944729 0.0514745955 -7.9426479 12.14564925 10.97415191 13.42847636 2.90423024 18.27545225 -6.53828096 11.3713949 -9.59921627 -14.80688443 -16.88169529 -16.44355081 -15.49527946 -11.27260588 -7.64849219 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1021868-76-7 23681233 170466485 A Lorglumide sodium [Na+].Clc1ccc(cc1Cl)C(=O)NC(CCC([O-])=O)C(=O)N(CCCCC)CCCCC Tox21_110312_1 -NCGC00091775-03 196725095 tox21-ror-cho-viability-p1 set3 -2.4 68.5896218971 -29.1531845759 -1 -30.1531845759 2.9022712143 0.8010166546 0.0078196888 2.42915307 -3.76503675 3.66084068 2.04615992 2.87657445 -1.2008002 0.39155655 -3.54082637 -0.12393543 -5.15559849 -4.32540379 -1.14857055 -2.83670964 -5.82877198 -21.79432048 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00166070-02 196725026 tox21-ror-cho-viability-p1 set3 3 13.3331902297 42.1943990649 -0.2198220799 41.974576985 3.9899729863 0.85942326 0.0026402387 1.42639284 0.51949296 9.45969097 -1.24375763 -0.19256621 -1.83993944 0.61350926 -1.08160839 -4.7665184 -2.42776834 -0.60869078 -0.39375515 0.54019441 46.93117725 10.81756873 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60812-23-9 14552708 170466627 A Decominol hydrochloride Cl.OC(COCCCCCCCCCC)CN Tox21_112303_1 -NCGC00241107-02 196725030 tox21-ror-cho-viability-p1 set3 -2.2 13.3331902297 -33.1974400225 -1.135264271 -34.3327042935 2.5334283767 0.8627740941 0.0014920602 -0.15946144 -7.24503435 6.008099 -1.40008955 7.57297546 -1.48792456 -0.44003911 -2.03233196 -6.13091682 -5.95825841 -4.01813742 -0.19809312 -11.20735373 -25.59655658 -33.77966725 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 918639-10-8 46780884 170466788 A Bosutinib CO.COc4cc(Nc3c(C#N)cnc2cc(OCCCN1CCN(C)CC1)c(OC)cc23)c(Cl)cc4Cl Tox21_113600_1 -NCGC00253604-01 196725438 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -77.648278835 10.644694955 -67.00358388 4.9549173134 0.8129001407 0.0059814659 1.98172873 2.32417356 3.32448464 0 0 14.11314521 10.81082452 16.34033922 11.45533934 9.67120528 17.69328189 27.0575792 19.02028113 12.05766184 -55.8363199 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 73573-42-9 5282209 170465875 I A Rescimetol Oc1ccc(cc1OC)/C=C/C(=O)O[C@@H]3C[C@@H]4CN5CCc2c6ccc(OC)cc6nc2[C@H]5C[C@@H]4[C@@H]([C@H]3OC)C(=O)OC Tox21_113739 -NCGC00090782-06 196725089 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -35.8484045159 -2.5 -38.3484045159 4.9549173134 0.8741314434 0.0009942812 2.24680298 -9.25623327 0 -0.21897227 -1.49214564 0.62334417 -1.16809141 -3.69047298 -7.10821633 -1.98360598 -4.39646234 -3.28019966 -2.8506503 -5.22365403 -32.37367043 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 159989-65-8 64142 170465351 A Nelfinavir mesylate CS(=O)(=O)O.Oc1cccc(c1C)C(=O)N[C@@H](CSc2ccccc2)[C@H](O)CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C Tox21_111021_1 -NCGC00024025-05 196725091 tox21-ror-cho-viability-p1 set3 4 3.7662218 3.06485131 3.52017335 2.68594004 2.87305896 -0.86809144 2.82224046 1.09396703 -5.95535643 1.49509282 2.10508678 -1.30526779 0.94941369 -2.08713347 4.59650603 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 81-23-2 6674 170465502 A Dehydrocholic acid O=C(O)CC[C@@H](C)[C@H]4CC[C@@H]3[C@]4(C)C(=O)C[C@H]2[C@H]3C(=O)C[C@@H]1CC(=O)CC[C@@]12C Tox21_111519_1 -NCGC00095838-04 196725093 tox21-ror-cho-viability-p1 set3 4 5.9557173066 7.1607419 -1.6607419 5.5 1.78848746 0.580068538 0.1133026106 -1.10674496 2.97355211 -0.17751831 -0.37981411 -0.25790067 -2.58420944 -0.67256384 -4.97247924 -5.55061825 -3.2209386 -0.16756014 1.75436157 2.02333959 6.34171018 4.74689016 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103628-46-2 5358 170465377 A Sumatriptan CNS(=O)(=O)Cc1cc2c(cc1)ncc2CCN(C)C Tox21_111528_1 -NCGC00249897-01 196725096 tox21-ror-cho-viability-p1 set3 -1.1 1.333319023 -101.0759949104 6.992345709 -94.0836492014 1.2221 0.9783061194 7.59E-8 2.62178707 8.233685 0 0 11.41725247 8.38801638 19.68403075 0.79909285 -16.88684556 -27.06475241 -58.20501119 -67.87222789 -81.95165374 -91.04953341 -96.8550644 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 133-58-4 16682935 170465514 F Nitromersol Cc1ccc(c2[Hg]Oc12)[N+]([O-])=O Tox21_113673 -NCGC00024494-02 196725105 tox21-ror-cho-viability-p1 set3 4 -1.45089944 -1.9314925 2.12913847 1.85772687 -2.209693 -2.8171263 0.53275688 -0.39679595 -7.84507395 -5.58051047 -0.49681929 -2.86195178 -0.03392476 -0.92585127 0.0910555 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 338-69-2 71080 170465038 Z D-Alanine C[C@@H](N)C(=O)O Tox21_110903_1 -NCGC00177980-03 196725509 tox21-ror-cho-viability-p1 set3 -3 29.8492948118 -57.949305626 -1.484342462 -59.433648088 4.9549173134 0.9808242106 3.73E-8 -0.31914248 -4.88456381 -1.57891421 -2.32953682 -1.69908862 -0.48406272 -1.65338309 0.24722845 -0.26204297 -3.37842093 -0.07197286 1.14871788 -5.80575006 -8.80840693 -53.69470674 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64211-46-7 9556529 170465226 A Oxiconazole nitrate [O-][N+](=O)O.Clc3ccc(C(=N\OCc1ccc(Cl)cc1Cl)\Cn2ccnc2)c(Cl)c3 Tox21_111467_1 -NCGC00249925-01 196725514 tox21-ror-cho-viability-p1 set3 4 -2.23996455 -4.56952261 10.14014693 0 14.78764532 7.05392955 3.6393728 -5.11589165 -2.00147349 14.05987754 -3.53466848 10.79555991 8.51921063 8.88096256 16.09617034 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 180200-68-4 159271 170466033 A F Tilmacoxib Cc2nc(C1CCCCC1)c(o2)c3ccc(c(F)c3)S(N)(=O)=O Tox21_113701 -NCGC00178024-05 196725517 tox21-ror-cho-viability-p1 set3 4 1.48393923 0.97752372 -2.18361694 3.68013531 5.70859423 -0.79636626 6.22970275 1.1916722 -0.40521006 2.86583882 -0.70022755 0.8103223 7.39353588 1.35404063 10.59755897 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33402-03-8 60196269 170465256 Z Metaraminol bitartrate O[C@H](c1cc(O)ccc1)[C@H](C)N.O=C(O)[C@H](O)[C@H](O)C(=O)O Tox21_110778_1 -NCGC00260161-01 196711479 tox21-ror-cho-viability-p1 set2 -1.1 6.8589621897 -78.030496136 -9.789578637 -87.820074773 1.0999999999 0.8868472752 0.0005918773 -6.89379135 -1.97176162 -11.75626329 -7.74984054 -12.58340718 -16.69383176 -12.90490129 -5.64192047 -27.60332402 -9.90577803 -52.38331335 -32.67910798 -81.20640855 -79.82380693 -79.27019497 1.18E-9 2.6389999999E-9 5.9009999999E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.299E-7 7.376E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.0000922 701921-71-3 16217238 144209811 A A Trihexyltetradecylphosphonium dicyanamide N#C[N-]C#N.CCCCCC[P+](CCCCCCCCCCCCCC)(CCCCCC)CCCCCC Tox21_202613 -NCGC00254604-01 196715204 tox21-ror-cho-viability-p1 set2 4 37.1240609054 9.2457857 -3.2457857 6 0.6999999999 0.3743838838 0.2996041536 -2.01956596 -7.28815475 -1.19518792 1.08085855 -2.47312415 -5.44537847 -4.55338562 -5.87598996 -3.50443467 2.24975291 0.16650709 -3.66438083 -0.48091712 1.2396913 3.79773929 1.1429999999E-9 2.555E-9 5.713E-9 1.277E-8 2.8559999999E-8 6.3869999999E-8 1.428E-7 3.194E-7 7.141E-7 0.000001597 0.000003571 0.000007984 0.00001785 0.00003992 0.00008926 82558-50-7 73672 144211013 A A Isoxaben CCC(C)(CC)c2cc(NC(=O)c1c(OC)cccc1OC)on2 Tox21_300696 -NCGC00257879-01 196715597 tox21-ror-cho-viability-p1 set2 4 1.06721733 0.19059062 -3.87350311 -2.63329321 -3.3007017 -0.06416723 -1.21488076 -2.99009778 -8.15954657 -3.43624264 -3.91531846 -1.8162641 -0.92127317 -3.1707583 -2.28235434 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004133 0.000092409999999 535-80-8 447 144207523 A A 3-Chlorobenzoic acid OC(=O)c1cc(Cl)ccc1 Tox21_200325 -NCGC00260611-01 196712296 tox21-ror-cho-viability-p1 set2 -1.4 0.1883363179 -23.9972837999 0.2647343159 -23.732549484 1.3437170999 0.6591442722 0.0586375709 1.94449034 1.09359192 -0.00405248 -0.51507735 2.30333944 -6.75451528 -7.80654995 -7.58805514 -11.74132777 -28.3725314 -17.32995877 -45.0493174 -20.14131961 -9.89708598 -21.88483306 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49507 144210264 M M NTP Mix14 AR1 8-EQC Tox21_203066 -NCGC00260014-01 196711484 tox21-ror-cho-viability-p1 set2 2.4 39.8293431084 18.711391724 1.288608276 20 0.9999999999 0.8311090781 0.0038846286 1.09035145 -1.42615977 -0.24627516 0.35987808 4.4675793 0.34644304 1.87566157 0.44416685 3.44371416 2.69631956 5.38624832 5.02592417 3.3563454 11.72230524 15.68423212 1.212E-9 2.711E-9 6.0619999999E-9 1.3549999999E-8 3.031E-8 6.7769999999E-8 1.515E-7 3.3889999999E-7 7.577E-7 0.0000016939999999 0.000003789 0.000008472 0.00001894 0.000042359999999 0.000094709999999 79-00-5 6574 144209663 F 1,1,2-Trichloroethane ClCC(Cl)Cl Tox21_202465 -NCGC00260165-01 196711901 tox21-ror-cho-viability-p1 set2 4 0.2236245 -0.26492463 -0.46088005 3.34659835 2.12739909 0.38200081 5.34332947 -0.15639692 3.52336254 3.86084398 2.65653575 2.86773135 5.45704845 3.53601256 -1.54836642 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.0000036889999999 0.000008248 0.00001844 0.00004124 0.00009222 174899-83-3 11258643 144209815 A A 1-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide CCCCn1cc[n+](C)c1.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F Tox21_202617 -NCGC00357035-01 196712306 tox21-ror-cho-viability-p1 set2 4 -3.22417332 -6.80065175 -6.60844377 -3.65908694 -1.2074012 -5.78339537 -4.96487153 -9.45782192 -2.75041896 -8.75168873 -6.03804614 -4.24879364 0.18593295 -2.04576875 -22.17180052 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 622-45-7 12146 251919925 A Cyclohexyl acetate O=C(C)OC1CCCCC1 Tox21_303723 -NCGC00260427-01 196712315 tox21-ror-cho-viability-p1 set2 4 0.6928773326 -8.5570975559 -0.5 -9.0570975559 3.9294729863 0.4191696559 0.694152093 -0.53026578 0 0.89823183 -6.00800569 0.67105801 0.4910681 -60.32870906 -0.97767657 -4.81510932 -9.51754629 -14.68732492 -20.88091463 0 -4.51370945 -5.85787732 1.19E-9 2.661E-9 5.951E-9 1.331E-8 2.976E-8 6.654E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.000003719 0.000008317 0.0000186 0.00004158 0.000092989999999 96-27-5 7291 144210079 F A 1-Thioglycerol OCC(O)CS Tox21_202881 -NCGC00260409-01 196712318 tox21-ror-cho-viability-p1 set2 4 17.1413664733 8.2248283441 0.2751716559 8.5 0.4 0.4175871948 0.2591926363 1.96562273 1.62510267 -0.45750532 -0.55575711 -0.60402362 1.97611955 0.91230639 2.21764271 2.29551167 0.39570526 3.2436146 9.5031787 0.77226788 3.69327432 6.99671626 1.175E-9 2.626E-9 5.873E-9 1.3129999999E-8 2.936E-8 6.566E-8 1.468E-7 3.2829999999E-7 7.341E-7 0.000001642 0.0000036709999999 0.000008208 0.00001835 0.00004104 0.00009176 6579-54-0 522183 144210061 F A 2,6-Dichlorobenzenesulfonylchloride O=S(Cl)(=O)c1c(Cl)cccc1Cl Tox21_202863 -NCGC00095135-05 196712717 tox21-ror-cho-viability-p1 set2 4 1.8193206 1.88003258 -0.83502461 0.18795531 1.13918316 6.30291129 5.62712874 0.66994967 5.96938975 5.43347916 5.79957759 -0.82835773 0.4827476 1.67661803 5.67953226 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 154323-57-6 123606 170465288 A Almotriptan O=S(=O)(Cc1ccc2ncc(CCN(C)C)c2c1)N3CCCC3 Tox21_111444_1 -NCGC00015882-15 196712727 tox21-ror-cho-viability-p1 set2 4 -3.97039944 -0.7810507 -5.57463465 -1.09777024 -1.35220962 1.4751932 -1.05445719 -0.47100972 -0.40311347 0.17442163 -0.44810982 0.70803568 0 1.16384882 -4.05363011 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1744-22-5 5070 170464928 A Riluzole FC(F)(F)Oc1ccc2nc(N)sc2c1 Tox21_110252_1 -NCGC00167440-02 196712734 tox21-ror-cho-viability-p1 set2 4 0.0023710138 -9.8974557999 7 -2.8974557999 4.9549173134 0.7685074666 0.0146629957 6.19640028 7.5896282 -1.02213439 -1.95362864 -0.94258266 -2.92503666 -0.86544625 -1.97729935 -4.56965193 -2.01187335 -3.24583113 -6.1645465 -6.08126603 -0.67479872 -0.5227302 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 147536-97-8 104865 170465245 A Bosentan CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc3nc(nc(OCCO)c3Oc2ccccc2OC)c4ncccn4 Tox21_112444_1 -NCGC00257126-01 196726982 tox21-ror-cho-viability-p1 set3 4 0.66347566 1.2092913 -2.04572439 1.23026268 2.80440439 3.98227489 3.27822861 -1.43787902 3.74273591 0.25847774 0.518293 -2.22256387 1.36858844 3.57445701 -1.7150994 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-92-5 6616 144213469 Fns Camphene CC2(C)C(=C)C1CCC2C1 Tox21_303152 -NCGC00257472-01 196726976 tox21-ror-cho-viability-p1 set3 4 1.23614881 4.64657738 0.52015845 0.79761559 0.34529337 1.30100639 -3.69228989 -4.88615847 -0.76033903 1.08068749 0.08496477 0.34083037 -0.09988727 0.23630357 3.87750012 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-69-3 6548 144213778 A A 3,7-Dimethyl-3-octanol CCC(C)(O)CCCC(C)C Tox21_303468 -NCGC00257337-01 196726977 tox21-ror-cho-viability-p1 set3 4 -1.04573506 1.5904109 -3.09944774 -0.96103275 0.09677945 0.87116602 -0.92089912 -1.70756456 3.13458381 1.43373813 -2.07248481 -0.55252184 2.81916125 -3.07474122 -4.1151531 8.258E-10 1.8469999999E-9 4.1289999999E-9 9.2329999999E-9 2.065E-8 4.616E-8 1.032E-7 2.308E-7 5.161E-7 0.0000011539999999 0.000002581 0.0000057709999999 0.0000129 0.00002885 0.00006452 3777-69-3 19602 144213848 F Fns 2-Pentylfuran CCCCCc1ccco1 Tox21_303542 -NCGC00163815-04 196724972 tox21-ror-cho-viability-p1 set3 -2.2 46.1533491938 -61.5243786176 0.4786406109 -61.0457380067 1.713743691 0.9378073158 0.0000274092 -4.45630237 1.48127283 2.03972473 -3.33758218 6.6940954 -4.19565507 2.68621974 6.67034954 -1.75215796 -4.12717296 1.5511518 -1.48497023 -12.51625678 -27.07497986 -48.51949849 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00260352-01 196724962 tox21-ror-cho-viability-p1 set3 2.1 61.5659893405 100.703917187 3.8653399549 104.5692571419 1.9673362061 0.943424379 0.0000164563 -6.13849629 3.91364643 -0.86102845 -0.25871356 5.72824256 2.77707045 7.7034037 10.46169886 0.8317414 6.37348909 10.84685433 10.47481001 12.26177605 31.31755034 79.23079365 1.187E-9 2.654E-9 5.9329999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.4829999999E-7 3.317E-7 7.417E-7 0.0000016579999999 0.000003708 0.000008292 0.00001854 0.00004146 0.000092709999999 14897-39-3 23702994 144210004 F Rifamycin SV sodium salt [Na+].CC(=O)O[C@@H]4[C@H](C)[C@@H](OC)C=CO[C@@]3(C)Oc2c(C)c(O)c1c(O)c(cc([O-])c1c2C3=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@H]4C Tox21_202806 -NCGC00260374-01 196724963 tox21-ror-cho-viability-p1 set3 4 0.004030303 12.491653712 -13.991653712 -1.5 0.8999999999 0.4749769255 0.2021260702 -9.97420766 -9.99304476 -6.87625277 -4.31714403 1.51393776 -6.87502775 -4.50651047 2.55300247 -2.77990867 -0.73361203 -7.14488742 -3.61326315 1.93939937 3.25995023 -1.64142789 1.224E-9 2.7369999999E-9 6.1199999999E-9 1.3679999999E-8 3.0599999999E-8 6.8419999999E-8 1.5299999999E-7 3.421E-7 7.649E-7 0.00000171 0.000003825 0.0000085519999999 0.00001912 0.00004276 0.00009562 371-40-4 9731 144210026 A F 4-Fluoroaniline Fc1ccc(N)cc1 Tox21_202828 -NCGC00260287-01 196724971 tox21-ror-cho-viability-p1 set3 4 2.0656137987 13.901156404 0.098843596 14 0.8999999999 0.5082186593 0.1722750476 -3.17796873 2.21063738 5.88574282 -3.25096367 0.18105112 -1.2297834 1.43992695 -3.1619299 4.62194332 2.56631604 -2.48197749 4.43518579 5.20009374 5.79638015 10.31195682 6.371E-11 1.424E-10 3.185E-10 7.122E-10 1.593E-9 3.5609999999E-9 7.963E-9 1.781E-8 3.982E-8 8.903E-8 1.991E-7 4.452E-7 9.9539999999E-7 0.000002226 0.000004977 112-88-9 8217 144209937 Fns 1-Octadecene CCCCCCCCCCCCCCCCC=C Tox21_202739 -NCGC00090952-07 196724974 tox21-ror-cho-viability-p1 set3 4 -2.2872256 -1.08116833 5.93174218 -5.78834272 4.60940962 -0.03135757 4.45897879 4.92954742 2.77394371 -6.72180833 5.79497867 5.11731689 4.98851217 4.60030103 9.74247981 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00167490-03 196725807 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -77.3069894799 3.896304078 -73.4106854019 4.9549173134 0.8950591118 0.0004088711 -3.84415919 0.44565272 -1.21846135 -0.29053734 0.83155801 4.6530274 0.22940827 3.61934109 4.02161449 2.66440571 2.71245956 17.47860067 14.19492252 4.27199135 -64.59531777 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82186-77-4 6437380 170465388 A Lumefantrine CCCCN(CCCC)CC(O)c4cc(Cl)cc3c4c1ccc(Cl)cc1\C3=C\c2ccc(Cl)cc2 Tox21_112491_1 -NCGC00166258-02 196726204 tox21-ror-cho-viability-p1 set3 4 0.0021131682 10.7429874919 -7.2429874919 3.5 2.2481167061 0.4069950954 0.2657523521 -7.28582291 -3.52947526 -1.06250155 3.24927873 7.45204828 2.28934017 -4.18605823 8.28544537 1.90054035 4.82022773 1.72432538 9.76675677 8.47726145 -3.13868566 1.82113502 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21245-01-2 88836 170466104 A Padimate CN(C)c1ccc(cc1)C(=O)OCCC(C)C Tox21_112377_1 -NCGC00179308-04 196726211 tox21-ror-cho-viability-p1 set3 4 -2.3137253 -1.17153215 -0.56183856 -0.15526594 3.10989989 -0.03355888 -1.46546838 -3.45143627 1.7266464 -7.17855643 -1.58773297 -2.23021554 -1.0869228 -0.84478874 -5.83170558 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80474-14-2 54580 170464975 A Fluticasone propionate O=C(SCF)[C@@]4(OC(=O)CC)[C@H](C)C[C@H]3C2C[C@H](F)C1=CC(=O)C=C[C@]1(C)[C@@]2(F)[C@@H](O)C[C@@]34C Tox21_110698_1 -NCGC00167454-02 196726214 tox21-ror-cho-viability-p1 set3 4 0.7497803863 3.5958790159 -3.0958790159 0.5 4.9549173134 0.333483518 0.3389342387 -5.03008105 0.30058073 -1.61036035 -0.01950582 -8.82989918 0.41141076 -6.15387771 -1.36456527 -6.58174399 -0.06839006 0.69128078 -0.07830748 0.18817836 1.19778236 1.16723207 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 88069-67-4 4820 170465988 A Pilsicainide Cc3cccc(C)c3NC(=O)CC12CCCN2CCC1 Tox21_112458_1 -NCGC00160387-04 196704632 tox21-ror-cho-viability-p1 set1 4 -4.19807322 -2.50854503 -4.9947952 -3.98595777 -4.64604198 -10.46065588 -3.5640653 -0.35952883 -1.10631439 -7.54843875 0.10945117 -7.26994944 -5.37566661 -3.35952622 1.28664113 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2058-52-8 16351 170465938 A Clothiapine CN1CCN(CC1)C3=Nc4ccccc4Sc2ccc(Cl)cc23 Tox21_111779_1 -NCGC00164634-02 196704223 tox21-ror-cho-viability-p1 set1 4 0.09328559 2.19007794 1.31797148 3.16428074 0.91934777 1.6775966 0.65248885 0.25804049 -0.46332808 2.63432108 -0.47545981 1.68918661 5.7363924 1.38376601 3.09352429 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80573-04-2 6335412 170465305 A Balsalazide disodium OC(=O)c1cc(ccc1O)/N=N/c2ccc(cc2)C(=O)NCCC(=O)O Tox21_112252_1 -NCGC00187584-01 196704225 tox21-ror-cho-viability-p1 set1 4 -1.30129744 0.00114944 -0.44719168 -1.54608771 -0.93976262 -0.31332275 -0.40172421 -1.20535839 -4.90766255 6.09187012 0.33979227 -0.81169546 -1.92634214 0.36367284 1.53920347 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1934-21-0 5359657 144206961 F I FD&C Yellow 5 [Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)/N=N/C3=C(NN(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O Tox21_113411 -NCGC00263657-01 196704232 tox21-ror-cho-viability-p1 set1 4 0.64401907 0.06961902 1.34208683 0.15134625 -0.72858846 0.09301081 0.07751316 2.45941314 -0.06737546 4.03535461 -2.43941628 3.95182489 0.76891262 -0.28910978 4.60809394 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 40596-69-8 5366546 170466306 F Methoprene CC(C)OC(=O)\C=C(/C)\C=C\CC(C)CCCC(C)(C)OC Tox21_111019_1 -NCGC00015862-07 196704633 tox21-ror-cho-viability-p1 set1 4 7.79418674 0.75982498 5.31662198 0.33812197 0.10755785 8.65647609 0.60029832 4.63591657 1.07736626 1.26411708 4.09495202 4.02047318 2.80049357 5.312782 5.84918359 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 101-26-8 7550 170464878 F Pyridostigmine bromide [Br-].O=C(Oc1ccc[n+](C)c1)N(C)C Tox21_111266_1 -NCGC00024595-08 196704634 tox21-ror-cho-viability-p1 set1 4 0.3349145963 4.74161374 -3.24161374 1.5 4.9549173134 0.4037910984 0.2701774185 -6.33381189 -0.72909452 -0.09735693 -6.73199028 -0.59794965 1.36893409 -6.86801145 -6.35882434 0.19726172 0.48088151 5.01149306 0.4997346 -0.79498221 -0.19075075 3.91896782 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77-23-6 2562 170465562 A Carbetapentane CCN(CC)CCOCCOC(=O)C1(CCCC1)c2ccccc2 Tox21_110909_1 -NCGC00253679-01 196704639 tox21-ror-cho-viability-p1 set1 4 1.64496457 -0.30500273 0.03808912 -1.86475905 -2.68325551 0.15241461 0.27299352 -0.39616161 1.76293282 -1.88452451 -1.56891453 -6.43906632 -3.56839339 -3.45123799 -3.92574334 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 76283-09-5 2733660 170466711 F A 4-Bromo-1-(bromomethyl)-2-fluoro-benzene BrCc1ccc(Br)cc1F Tox21_113803 -NCGC00253675-01 196704646 tox21-ror-cho-viability-p1 set1 4 0.92678642 0.72648399 -2.41230458 0.10634199 1.99291162 0.59574234 0.51562118 1.19096927 1.45313478 -0.34291791 0.38125269 0.36619037 -0.26306111 1.06690672 0.05626338 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6065-63-0 80168 170466685 F F Diethyl dipropylmalonate CCCC(CCC)(C(=O)OCC)C(=O)OCC Tox21_113799 -NCGC00025172-02 196705047 tox21-ror-cho-viability-p1 set1 4 0.5308038637 4.066447804 -1.066447804 3 4.0949729863 0.6342894446 0.0757584677 -0.04046467 -5.05537317 -0.72475061 -0.80070611 0.5346817 -1.18405227 -1.96630641 -0.77113469 0.14930163 1.7591871 3.9687615 4.77142273 0.73006792 1.65781225 5.04071177 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84088-42-6 54676478 170466254 A Roquinimex CN(c1ccccc1)C(=O)C3=C(O)c2ccccc2N(C)C3=O Tox21_110951_1 -NCGC00253710-01 196705054 tox21-ror-cho-viability-p1 set1 4 0.5242949 0.2878681 -3.83436138 -9.75565076 0.13118136 -6.10076466 0.40270653 -0.00929006 0.19717662 -6.83498202 -2.9594572 -2.75738647 -2.0942515 -4.51202496 -10.96007798 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 39219-28-8 71717 170466315 F A Promestriene CCCOc3cc4CC[C@@H]1[C@H](CC[C@]2(C)C(CC[C@@H]12)OC)c4cc3 Tox21_113830 -NCGC00181755-01 196705058 tox21-ror-cho-viability-p1 set1 4 -4.32657996 -3.91459846 -2.49886635 -1.86572467 -4.38148329 1.42154884 -3.59351591 3.85769985 1.07740833 -0.00500082 -2.71773732 -0.85499288 -1.63679209 -0.10834173 -2.58650974 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83435-67-0 5362115 144206480 D F Delapril hydrochloride Cl.O=C(OCC)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(CC(=O)O)C2Cc3ccccc3C2 Tox21_112927 -NCGC00163886-05 196705458 tox21-ror-cho-viability-p1 set1 4 5.87720499 0.23785559 3.26995995 -0.08377622 0.18953792 6.89429515 -0.00802478 1.31799817 3.45612648 4.52074129 1.84527731 0.09856186 2.95061416 1.61851184 6.1457418 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 299-84-3 9298 170466415 F Fenchlorphos Clc1cc(OP(=S)(OC)OC)c(Cl)cc1Cl Tox21_113416_1 -NCGC00258558-01 196716401 tox21-ror-cho-viability-p1 set2 -1.1 15.2616579691 -89.7267357215 0.905874388 -88.8208613335 3.9294729863 0.9959205115 0 0.15656482 0.30724143 -1.16914652 1.43706493 1.7636845 0.05397419 1.40535846 0.5709274 -0.31535954 0.91563782 -0.34828352 0.5744736 -58.05214576 -89.17757162 -88.58397596 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.00009175 116-31-4 638015 144208203 A A Retinal CC=1CCCC(C)(C)C=1/C=CC(\C)=C\C=C\C(\C)=C\C=O Tox21_201005 -NCGC00257796-01 196716379 tox21-ror-cho-viability-p1 set2 4 -0.26028933 -2.81203801 0.5623971 0.52120011 -0.08633182 -2.652078 -2.96526361 0.4281556 -0.29777059 0.61376772 0.64243179 0.74057066 -0.71457882 0.28943451 -6.6892958 1.196E-9 2.6749999999E-9 5.981E-9 1.338E-8 2.9909999999E-8 6.6879999999E-8 1.4949999999E-7 3.344E-7 7.477E-7 0.0000016719999999 0.0000037379999999 0.0000083589999999 0.00001869 0.000041799999999 0.000093459999999 112-86-7 5281116 144207440 A (13Z)-Docos-13-enoic acid O=C(O)CCCCCCCCCCC/C=C\CCCCCCCC Tox21_200242 -NCGC00258080-01 196716382 tox21-ror-cho-viability-p1 set2 4 1.18260062 -0.89459249 -1.18616389 0.5934087 -0.10745982 -0.31214526 1.65182781 1.21951951 -0.12594203 0.57753549 0.60778297 2.26617937 1.1344908 4.03577863 4.51729528 1.149E-9 2.569E-9 5.744E-9 1.284E-8 2.872E-8 6.422E-8 1.436E-7 3.211E-7 7.1799999999E-7 0.000001606 0.0000035899999999 0.000008028 0.00001795 0.00004014 0.00008975 629-08-3 12372 144207724 A A Heptanenitrile CCCCCCC#N Tox21_200526 -NCGC00257944-01 196716384 tox21-ror-cho-viability-p1 set2 4 -0.52217662 -0.18637525 -0.40468338 -3.95790979 -0.51713738 0.7470428 0.06839368 3.77517088 -0.77693004 -3.29672785 -2.32172036 -1.86762144 -0.97555475 -1.38815546 -0.96939806 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.4829999999E-7 3.317E-7 7.417E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.00004146 0.000092709999999 82586-55-8 54891 144207588 B D Quinapril hydrochloride Cl.O=C(OCC)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2Cc3ccccc3C[C@H]2C(=O)O Tox21_200390 -NCGC00159476-09 196716800 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -14.534746312 -2 -16.534746312 4.5044702849 0.6668366136 0.0552986066 -1.78566512 2.00292612 -4.59734915 -2.96342326 -0.15696375 -4.63326867 -4.14909052 -3.33786686 -2.00367197 -3.03269244 -5.10141399 -0.55811259 0.81719419 -3.48410737 -13.77895526 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87-10-5 14868 170465542 A Tribromsalan Oc1c(cc(Br)cc1Br)C(=O)Nc2ccc(Br)cc2 Tox21_111700_1 -NCGC00263574-01 196716815 tox21-ror-cho-viability-p1 set2 4 -0.02049769 -0.1755069 3.66533832 3.72289427 6.59263218 7.54525021 5.37300201 5.92692968 0.07536722 -0.88734642 -0.21167312 0.22864733 0.15216613 0.16597421 -0.00871266 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59198-70-8 91670 170465700 A Diflucortolone valerate CCCCC(=O)OCC(=O)[C@H]4[C@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3C[C@H](F)C1=CC(=O)C=C[C@@]12C Tox21_112929_1 -NCGC00091563-12 196716816 tox21-ror-cho-viability-p1 set2 -2.1 7.4978038628 -96.490079162 4.9117647505 -91.5783144115 0.5 0.8874547178 0.0005766188 0.79778908 -0.14806352 0.66673631 2.98317354 3.67507286 3.52163474 2.84793103 -4.74344307 -11.98699348 -26.76666676 -34.83278863 -37.43823531 -46.62642149 -32.69043978 -78.08963213 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 137-26-8 5455 170465664 A Thiram CN(C)C(=S)SSC(=S)N(C)C Tox21_111150_1 -NCGC00160397-04 196717223 tox21-ror-cho-viability-p1 set2 4 -5.96391899 -2.01868134 2.22589636 -1.91390365 3.06545005 -1.69994241 -2.27400202 -7.44030973 2.58068644 0.00659612 -2.03891925 -2.09398265 1.61128353 0.9613363 0.82981108 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84504-69-8 5282435 170465947 A Irsogladine maleate Nc1nc(nc(N)n1)c2cc(Cl)ccc2Cl.O=C(O)/C=C\C(=O)O Tox21_111786_1 -NCGC00254677-01 196714755 tox21-ror-cho-viability-p1 set2 4 0.68962446 -0.82554435 0.37629105 1.7502017 1.81846307 4.33442411 2.30192692 0.99710543 2.4967062 0.03440289 0.60214523 4.62284963 1.73594654 0.23031165 0.21939798 1.1689999999E-9 2.6129999999E-9 5.843E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.461E-7 3.2659999999E-7 7.3029999999E-7 0.0000016329999999 0.000003652 0.0000081649999999 0.00001826 0.000040829999999 0.00009129 24307-26-4 62781 144211090 A Mepiquat chloride [Cl-].C[N+]1(C)CCCCC1 Tox21_300773 -NCGC00254903-01 196714344 tox21-ror-cho-viability-p1 set2 4 -0.08706059 -3.7940133 -3.68873465 -3.11737542 -6.10653003 -0.10664507 2.03100771 -7.21927725 -3.46997627 -3.31444073 -1.24166718 -3.86112935 2.10273198 -3.25199405 0.29165754 1.177E-9 2.631E-9 5.884E-9 1.316E-8 2.942E-8 6.578E-8 1.471E-7 3.289E-7 7.355E-7 0.000001645 0.0000036769999999 0.000008223 0.00001839 0.00004111 0.000091939999999 81334-34-1 54738 144211318 A A Imazapyr CC1(N=C(NC1=O)c2ncccc2C(=O)O)C(C)C Tox21_301001 -NCGC00254788-01 196714752 tox21-ror-cho-viability-p1 set2 4 0.1782654 -1.89702732 0.62569723 -0.14322362 -1.29519174 -2.49668184 0.77378386 -0.01052648 -0.53391126 0.44860995 -0.50637939 1.60559589 0.76576676 -0.62422835 0.43348534 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1134-23-2 14337 144211201 A A Cycloate CCN(C(=O)SCC)C1CCCCC1 Tox21_300884 -NCGC00254232-01 196714754 tox21-ror-cho-viability-p1 set2 4 0.086349218 14.302806412 -5.802806412 8.5 0.3 0.7302320346 0.02630137 -4.83567201 0.25762232 -1.13350593 -0.9417625 -0.37348185 0.49317397 0.00684744 4.57384427 5.21322651 5.43232631 0.94526246 5.38498202 10.08545094 4.45523357 7.04014263 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81131-70-6 16759173 144210590 A A Pravastatin sodium [Na+].[O-]C(=O)C[C@H](O)C[C@H](O)CC[C@H]2[C@@H](C)C=CC1=C[C@@H](O)C[C@H](OC(=O)[C@@H](C)CC)[C@@H]12 Tox21_300270 -NCGC00260077-01 196724318 tox21-ror-cho-viability-p1 set3 -3 60.8819825247 -44.2878049626 -0.162011431 -44.4498163936 3.6272481694 0.875766014 0.0009324986 -3.54574649 1.76717281 -7.56483439 1.11361444 5.29449583 -0.28877737 2.67207277 1.71234203 0.41159084 2.48472116 4.35827947 -5.82288568 -3.03479218 -8.15950762 -36.32561848 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.9409999999E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.0000411 0.00009189 93-83-4 5371728 144209726 Bc A (9Z)-N,N-Bis(2-hydroxyethyl)octadec-9-enamide O=C(CCCCCCC/C=C\CCCCCCCC)N(CCO)CCO Tox21_202528 -NCGC00260576-01 196724309 tox21-ror-cho-viability-p1 set3 4 -2.61073991 1.95525475 0.00890309 -4.21797319 3.68295028 2.33503066 3.22758913 3.75815102 1.57674457 -10.14990156 -3.96748254 -1.19674487 3.01798361 2.61862868 1.10169647 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49472 144210229 M M NTP Mix53 CT1 3-EQP Tox21_203031 -NCGC00260492-01 196724312 tox21-ror-cho-viability-p1 set3 4 21.7120023439 -9.6048968639 0.5 -9.1048968639 4.9549173134 0.4783146349 0.1986674316 -2.5021994 0.65520745 1.46684859 2.19041165 5.19465186 -8.25661314 7.70153762 -0.47721169 -1.14401115 1.48300937 2.11201123 -1.91011635 -1.84414627 -10.50408072 -8.03866014 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.00000369 0.000008252 0.000018449999999 0.000041259999999 0.00009226 781-73-7 69908 144210144 A A 2-Acetylfluorene CC(=O)c1ccc2c3ccccc3Cc2c1 Tox21_202946 -NCGC00260022-01 196724314 tox21-ror-cho-viability-p1 set3 4 0.0015417787 15.122223448 -15.622223448 -0.5 4.9549173134 0.5877329479 0.1067336617 -13.01851954 -0.00862228 -4.83496662 -1.03174425 3.31230917 -2.86756726 -2.01502971 -0.64033331 1.72058528 -4.90735305 0.84969877 -0.85137126 4.5781498 0.27121206 -2.27245915 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 19780-11-1 5362708 144209671 A A (2-Dodecenyl)succinic anhydride O=C1OC(=O)CC1C/C=C/CCCCCCCCC Tox21_202473 -NCGC00357015-01 196724320 tox21-ror-cho-viability-p1 set3 4 0.0019331182 14.027859644 -11.527859644 2.5 4.0949729863 0.5886973261 0.1059936745 -10.02321637 -0.54745106 2.19784484 0.2863486 -0.76828995 7.03348556 -5.02313332 2.30877397 4.30346623 2.38763158 3.40797266 2.51374961 3.83777911 3.653314 3.45466468 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 35141-30-1 118771 251919793 Fns N-(2-Aminoethyl)-N'-[3-(trimethoxysilyl)propyl]ethane-1,2-diamine CO[Si](CCCNCCNCCN)(OC)OC Tox21_303768 -NCGC00259754-01 196724325 tox21-ror-cho-viability-p1 set3 4 -4.68334456 0.56675232 -5.08057263 -5.58387869 1.68048236 0.78680324 -5.51378949 -6.88058786 2.77298462 -11.40229007 -6.36752187 -1.66688797 -5.53998269 -7.20521006 -7.59409203 1.148E-9 2.567E-9 5.7409999999E-9 1.284E-8 2.87E-8 6.418E-8 1.4349999999E-7 3.209E-7 7.176E-7 0.0000016049999999 0.0000035879999999 0.000008023 0.00001794 0.00004011 0.0000897 15972-60-8 2078 144209403 A B Alachlor ClCC(=O)N(COC)c1c(cccc1CC)CC Tox21_202205 -NCGC00356978-01 196724326 tox21-ror-cho-viability-p1 set3 4 0.0243365162 6.919627272 -5.919627272 1 4.9549173134 0.4416153214 0.2501112111 -10.76635606 1.6759561 -7.21687486 -7.38429018 -0.14449773 -0.19056866 0.97514238 5.94180765 -2.7497888 -3.30462541 1.05154957 1.0560781 -0.08986998 4.57247949 -2.6138467 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2051-62-9 16323 251919750 A 4-Chlorobiphenyl Clc1ccc(cc1)c2ccccc2 Tox21_303788 -NCGC00090910-03 196724328 tox21-ror-cho-viability-p1 set3 4 -4.05335673 0.71972208 4.3143298 5.74460474 0.94009709 2.3510805 0.50696998 12.04145342 14.0273998 0.12159771 5.35405531 10.42257646 1.48945569 4.07648793 4.42530613 1.227E-9 2.7439999999E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008574 0.00001917 0.000042869999999 0.00009586 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00185744-02 196712885 tox21-ror-cho-viability-p1 set2 4 -6.12497595 1.41523021 -0.01259936 -7.26831138 -5.86346471 -9.39848293 -1.41823066 -5.6376954 -4.75450096 -4.28269266 -7.11567706 -11.93958713 -5.95735885 -5.45654335 -0.51210236 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2508-79-4 17276 170466856 A Methyldopate hydrochloride Cl.Oc1ccc(C[C@](C)(N)C(=O)OCC)cc1O Tox21_110525_1 -NCGC00162129-06 196712467 tox21-ror-cho-viability-p1 set2 4 -0.31225993 0.48469906 -2.27788711 -5.24390394 -1.65127059 -0.68275557 -2.15660308 -1.58155961 -1.93217682 -0.88645851 -3.15108529 -1.71733409 -1.05009131 -0.14936465 -0.13193891 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35891-93-1 108173 170465114 A Tocainide hydrochloride Cl.O=C(Nc1c(C)cccc1C)C(C)N Tox21_110732_1 -NCGC00164493-02 196712474 tox21-ror-cho-viability-p1 set2 -1.2 0.1635346279 -36.072892856 -1.147757954 -37.22065081 3.5117481694 0.8926441585 0.0004575312 -0.21350364 -1.4960965 -0.76823638 -2.30147873 -1.30632945 -3.96117003 -1.03217956 -2.7943215 -22.2602176 -39.28577669 -33.35220397 -28.37360397 -27.02928462 -54.1290395 -40.94875458 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 3696-28-4 3109 170465699 A Dipyrithione [O-][n+]2ccccc2SSc1cccc[n+]1[O-] Tox21_112131_1 -NCGC00091775-03 196712879 tox21-ror-cho-viability-p1 set2 4 9.6885416101 -6.439518712 -0.5 -6.939518712 1.9673362061 0.4148169534 0.27757337 -2.20052219 0.06728855 -4.06575125 -0.50553922 2.05615674 2.28349988 0.96272498 0.84231621 -4.09219008 2.08909609 -4.24484883 -0.607006 -8.28293226 -5.02775467 -1.80476512 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00167958-05 196712886 tox21-ror-cho-viability-p1 set2 1.1 3.7578035763 91.109301478 3.3274507669 94.4367522449 3.5117481694 0.9923171171 2E-10 -1.07422148 -0.56495736 7.22509002 5.10179417 4.04840679 3.35373736 -0.15187936 6.53228714 5.43731469 6.86709907 5.29427696 57.7816266 91.54442069 97.76061309 89.54961669 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64221-86-9 104838 170464934 Z Imipenem O[C@H](C)[C@H]2C(=O)N1C(=C(C[C@@H]12)SCCNC=N)C(=O)O Tox21_110689_1 -NCGC00160566-02 196713292 tox21-ror-cho-viability-p1 set2 -2.4 33.4914596268 -27.481330516 0 -27.481330516 4.9549173134 0.919209281 0.0001095709 -0.30077178 0.6805633 -1.06608556 -0.053909 0.43062179 -0.10809451 2.05465056 1.25340767 -1.16518305 -4.549587 0.19703466 -0.6025824 0.2345751 1.29202104 -23.31777543 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15599-52-7 65620 170466473 A Broquinaldol Oc1c(Br)cc(Br)c2ccc(C)nc12 Tox21_111904_1 -NCGC00259781-01 196709588 tox21-ror-cho-viability-p1 set2 4 1.7246456494 8.931670188 -0.431670188 8.5 2.9522712143 0.7655514455 0.02030212 0.35829274 -0.08106604 -0.05540703 -3.69305849 -1.11092392 -1.37406498 2.8573384 -0.8114736 1.76280775 3.15951496 8.24711941 10.00603567 10.77288882 3.46257319 0.48267461 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.476E-7 3.302E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.000092279999999 87-02-5 6868 144209430 A F 7-Amino-4-hydroxynaphthalene-2-sulfonic acid O=S(=O)(O)c1cc(O)c2ccc(N)cc2c1 Tox21_202232 -NCGC00259962-01 196709169 tox21-ror-cho-viability-p1 set2 4 4.31250731 -0.18152875 1.38122978 0.74001102 3.23412457 2.33512208 1.31074256 3.83907361 2.80792146 2.59636999 2.17446944 2.67260326 4.22374042 4.59456721 2.44662224 1.21E-9 2.7049999999E-9 6.048E-9 1.352E-8 3.024E-8 6.7619999999E-8 1.512E-7 3.381E-7 7.5599999999E-7 0.00000169 0.00000378 0.000008452 0.0000189 0.00004226 0.000094499999999 443-48-1 4173 144209611 A A Metronidazole Cc1ncc([N+]([O-])=O)n1CCO Tox21_202413 -NCGC00259539-01 196709566 tox21-ror-cho-viability-p1 set2 -2.4 68.729149849 -28.707356916 1 -27.707356916 4.4494702849 0.9340476447 0.0000378078 -0.40170384 1.36356545 0.2801286 0.11039286 -0.75676474 2.3588655 3.07805514 -0.12124431 0.04143424 4.35638087 -0.04348933 3.09360886 2.32849099 -2.0823917 -21.42279743 1.182E-9 2.6429999999E-9 5.91E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.304E-7 7.387E-7 0.0000016519999999 0.0000036939999999 0.000008259 0.000018469999999 0.000041299999999 0.00009234 94-62-2 638024 144209188 A A Piperine O=C(/C=C/C=C/c1ccc2OCOc2c1)N3CCCCC3 Tox21_201990 -NCGC00258797-01 196709567 tox21-ror-cho-viability-p1 set2 4 2.00994357 -0.01680768 0.53816572 -1.28583575 -2.33412147 1.00058449 -0.32792167 -0.99774856 0 -0.74982795 -0.98452731 0.03133147 2.47222567 2.21330061 1.88358701 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.365E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.00004117 0.00009206 833-66-9 23677963 144208443 A A Potassium 6-hydroxynaphthalene-2-sulfonate [K+].[O-]S(=O)(=O)c1ccc2cc(O)ccc2c1 Tox21_201245 -NCGC00256095-01 196709989 tox21-ror-cho-viability-p1 set2 4 1.0870722482 4.771716024 -5.271716024 -0.5 3.0654483358 0.3715570358 0.3009735326 -3.06665169 -3.67217068 -6.28157817 -2.05284941 -7.32865482 -0.84487242 -8.82099377 -12.72643002 -3.15590846 -1.51182208 -0.34200528 0.08176833 -0.91147491 -4.07407834 2.66403593 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23305-64-8 11355992 144211544 F B 2-[2-(2-Propoxyethoxy)ethoxy]ethanol OCCOCCOCCOCCC Tox21_301227 -NCGC00255396-01 196709993 tox21-ror-cho-viability-p1 set2 4 4.13050698 6.04498734 0.44329147 0.12187981 0.74093981 -1.40064649 -1.26348211 -0.27090618 0.72106469 1.88092568 -3.32467776 -0.90322784 2.89237172 1.08169188 6.66292903 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-53-7 10695 144212547 A F 1,2,3,5-Tetramethylbenzene Cc1cc(C)c(C)c(C)c1 Tox21_302230 -NCGC00017354-07 196704687 tox21-ror-cho-viability-p1 set1 4 -2.25303841 -2.52904795 2.6929933 1.54704161 -2.40372535 2.00121301 -5.27975175 0.71542539 1.53129934 0.28774736 1.05250225 -2.77260225 -2.79434701 -4.07801608 -2.99212115 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21736-83-4 64740 170465149 Z Spectinomycin dihydrochloride Cl.Cl.C[C@H]1O[C@H]2O[C@@H]3[C@@H](O)[C@H](NC)[C@H](O)[C@H](NC)[C@H]3O[C@@]2(O)C(=O)C1 Tox21_110592_1 -NCGC00015520-11 196704273 tox21-ror-cho-viability-p1 set1 4 1.8833631789 -6.8142984479 2 -4.8142984479 4.9549173134 0.4239815477 0.266899437 1.71764963 0.64820208 3.09806345 0.30895796 0.8950628 3.59587849 2.53162159 0.48794196 2.79756392 2.35539826 0.06895189 -14.42858204 -2.85321123 1.45472846 0.54531948 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127-07-1 3657 170465025 F Hydroxyurea NC(=O)NO Tox21_110168_1 -NCGC00018122-11 196704680 tox21-ror-cho-viability-p1 set1 4 0.43167214 -3.70448184 -4.41268364 -0.36952761 -0.55040686 -13.49917849 0.53268617 0.08913291 -0.22969037 -1.67786606 -1.82585827 -12.66096342 -4.52024994 1.20275348 -3.7358723 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 88107-10-2 3969 170466250 A Tomelukast CC(=O)c2ccc(OCCCCc1nnnn1)c(CCC)c2O Tox21_110828_1 -NCGC00066947-05 196704685 tox21-ror-cho-viability-p1 set1 4 -0.42498212 0.13849505 0.37667562 2.79718402 0.36919162 -0.6570361 -4.01604532 4.9397989 0.03772724 5.14464688 5.49691374 2.26199077 3.06821804 0.36949293 -0.68647237 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00015898-15 196704690 tox21-ror-cho-viability-p1 set1 4 -1.71910069 -0.14450877 -3.9427683 0.12051858 2.60967411 -0.16557181 -3.75748247 -0.37876351 0.38355812 -3.03819672 -0.92709493 -3.07861097 -2.30258728 -1.30218766 2.37052424 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61413-54-5 5092 170465962 A Rolipram COc2ccc(cc2OC1CCCC1)C3CC(=O)NC3 Tox21_110672_1 -NCGC00016765-09 196705095 tox21-ror-cho-viability-p1 set1 4 0.32147516 -0.59160611 0.25286643 -1.53480751 -1.40239816 -4.8816827 0.9348263 -3.40030809 -0.49134446 -1.89797816 -3.93289117 -1.27436606 -0.57511828 -6.82959965 -2.37081617 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 22494-42-4 3059 170464956 A Diflunisal OC(=O)c1cc(ccc1O)c2ccc(F)cc2F Tox21_110598_1 -NCGC00253624-01 196705101 tox21-ror-cho-viability-p1 set1 -2.4 13.3331902297 -36.66267812 1.5 -35.16267812 0.8999999999 0.9542827259 0.0000051573 -0.56669574 4.2300814 3.00703352 2.09534642 0.45953715 0.41069233 0.12906682 1.02348367 -1.02332499 -5.40143587 -1.2625074 -7.08736948 -15.37510379 -18.04906576 -27.6355651 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 88426-33-9 71768 170466326 A A Buparvaquone CC(C)(C)C3CCC(CC2=C(O)C(=O)c1ccccc1C2=O)CC3 Tox21_113753 -NCGC00257958-01 196702207 tox21-ror-cho-viability-p1 set1 4 -5.30541158 3.52552316 -1.03171186 -5.48301336 -20.4144619 -9.4807721 2.99134037 1.29689559 4.53977804 -7.1301276 -3.79939212 -16.4680434 -17.04284924 -12.6957588 -13.0034208 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.00009175 78-86-4 6563 144207602 FC 2-Chlorobutane CC(Cl)CC Tox21_200404 -NCGC00257843-01 196701805 tox21-ror-cho-viability-p1 set1 4 -0.38037399 -2.57630565 -5.0477042 -2.64100986 1.60873207 -4.95079916 1.74268055 -0.52992602 0.21268563 -5.01137566 -8.60723018 0.32210764 0.41066518 -0.39124199 1.22460647 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.0000082699999999 0.000018489999999 0.00004135 0.000092459999999 122-60-1 31217 144207487 A A Phenyl glycidyl ether c2ccc(OCC1CO1)cc2 Tox21_200289 -NCGC00258107-01 196701806 tox21-ror-cho-viability-p1 set1 4 3.5656815 0.22495564 1.14717068 3.32722325 1.0365103 2.66865366 1.6090096 3.37126241 1.77463364 1.44569624 6.22073586 1.03491447 6.3561067 3.8559672 -0.38737194 1.189E-9 2.658E-9 5.9439999999E-9 1.3289999999E-8 2.9719999999E-8 6.646E-8 1.486E-7 3.323E-7 7.4299999999E-7 0.0000016609999999 0.0000037149999999 0.000008307 0.000018579999999 0.00004154 0.000092879999999 848641-69-0 53316406 144207751 A A 1-Ethyl-3-methylimidazolium diethylphosphate C[n+]1ccn(CC)c1.[O-]P(=O)(OCC)OCC Tox21_200553 -NCGC00258568-01 196701809 tox21-ror-cho-viability-p1 set1 4 45.3094264092 18.4200386919 -1.4200386919 17 2.3331733767 0.8442782832 0.0026997048 -2.36721039 -3.37761947 -1.61301764 -4.51669891 1.25792363 -1.35155921 -0.41168292 -1.33916019 -1.07100064 0.47424246 1.11608226 0.31624041 -2.74582337 9.09490405 13.71660308 1.226E-9 2.742E-9 6.13E-9 1.371E-8 3.065E-8 6.854E-8 1.5329999999E-7 3.4269999999E-7 7.663E-7 0.0000017139999999 0.000003832 0.000008568 0.00001916 0.00004284 0.00009579 111-78-4 82916 144208213 FNS 1,5-Cyclooctadiene C1=CCCC=CCC1 Tox21_201015 -NCGC00258333-01 196702213 tox21-ror-cho-viability-p1 set1 4 1.05925957 3.50114364 1.60183514 4.47128575 2.30041975 3.7781777 5.93064296 5.29222584 2.75116132 4.97117248 -0.23450732 3.67266164 0.08063506 -3.32942693 1.49037783 1.213E-9 2.713E-9 6.0659999999E-9 1.3559999999E-8 3.033E-8 6.782E-8 1.516E-7 3.391E-7 7.582E-7 0.000001695 0.0000037909999999 0.000008477 0.00001896 0.00004239 0.00009478 105-76-0 5271569 144207977 Z Z Dibutyl maleate O=C(\C=C/C(=O)OCCCC)OCCCC Tox21_200779 -NCGC00257968-01 196702226 tox21-ror-cho-viability-p1 set1 4 -13.27691803 0.83855557 -5.99956077 1.0725369 4.07487995 0.52441144 0.43699834 -7.53370682 0.11916065 -1.27202715 0 0.03589344 -11.18981983 -8.34629966 -1.34773657 1.229E-9 2.748E-9 6.144E-9 1.374E-8 3.072E-8 6.869E-8 1.5359999999E-7 3.435E-7 7.68E-7 0.000001717 0.00000384 0.000008587 0.0000192 0.00004293 0.000096 123-54-6 31261 144207612 AC 2,4-Pentanedione CC(=O)CC(C)=O Tox21_200414 -NCGC00257669-01 196702227 tox21-ror-cho-viability-p1 set1 4 -3.97755547 -3.3100734 -2.88171745 1.97410924 -11.98757471 0.54533071 -17.47470576 -15.67254442 -2.24962955 -7.32408568 -14.50121186 -9.19865894 0.36790051 -15.31918822 -4.99103623 1.167E-9 2.6109999999E-9 5.837E-9 1.305E-8 2.919E-8 6.5259999999E-8 1.459E-7 3.2629999999E-7 7.297E-7 0.0000016319999999 0.000003648 0.0000081579999999 0.000018239999999 0.000040789999999 0.000091209999999 6742-54-7 23194 144207313 AC Fns 1-Phenylundecane CCCCCCCCCCCc1ccccc1 Tox21_200115 -NCGC00258818-01 196721694 tox21-ror-cho-viability-p1 set3 4 1.76957501 -1.47830136 2.61274974 11.306752 6.6106216 6.97591061 -3.79650184 6.33701973 0.98990827 6.30691392 1.46359319 -0.42244627 4.21117449 -0.30835651 5.1618949 1.196E-9 2.6749999999E-9 5.981E-9 1.338E-8 2.9909999999E-8 6.6879999999E-8 1.4949999999E-7 3.344E-7 7.477E-7 0.0000016719999999 0.0000037379999999 0.0000083589999999 0.00001869 0.000041799999999 0.000093459999999 123-42-2 31256 144208464 A A Diacetone alcohol CC(=O)CC(C)(C)O Tox21_201266 -NCGC00259735-01 196721298 tox21-ror-cho-viability-p1 set3 4 30.70018354 7.5458405399 -7.0458405399 0.5 4.9549173134 0.3775854779 0.2950835938 -8.60591801 -5.17069468 -4.64367671 -2.06434458 -7.5144015 -8.66017664 -9.85954481 -3.86355545 -12.53820045 -1.50196374 -9.72168993 -10.60290352 -7.30364273 -0.13684974 0.00145018 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.305E-7 7.3889999999E-7 0.0000016519999999 0.0000036949999999 0.000008262 0.000018469999999 0.00004131 0.00009237 112-30-1 8174 144209384 A A 1-Decanol CCCCCCCCCCO Tox21_202186 -NCGC00259990-01 196721693 tox21-ror-cho-viability-p1 set3 4 -3.07856224 -0.85203833 -2.72859669 5.03674702 -0.08289252 -1.18695563 -3.6506039 -4.27353245 0.09930608 -1.54297721 -3.30318262 2.41596963 -5.00912215 2.6129818 -6.95374019 1.1919999999E-9 2.6659999999E-9 5.96E-9 1.333E-8 2.98E-8 6.664E-8 1.49E-7 3.332E-7 7.45E-7 0.0000016659999999 0.000003725 0.00000833 0.00001863 0.000041649999999 0.00009313 68-26-8 445354 144209639 FNS Retinol CC=1CCCC(C)(C)C=1/C=CC(\C)=C\C=C\C(\C)=C\CO Tox21_202441 -NCGC00259376-01 196722079 tox21-ror-cho-viability-p1 set3 4 -5.20598691 -6.22521468 -5.74385923 0.24560207 -3.02963656 -5.67604408 -3.92630797 -5.48713921 -2.99746391 -0.77170575 -4.3188314 -2.73708132 -5.95176664 -1.88258899 2.74417853 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.952E-8 6.6E-8 1.476E-7 3.3E-7 7.379E-7 0.0000016499999999 0.0000036889999999 0.0000082499999999 0.000018449999999 0.00004125 0.000092239999999 51333-22-3 40000 144209025 A A Budesonide OCC(=O)[C@@]53O[C@@H](O[C@@H]5C[C@H]2[C@@H]4CCC1=CC(=O)C=C[C@]1(C)[C@H]4[C@@H](O)C[C@@]23C)CCC Tox21_201827 -NCGC00259954-01 196722081 tox21-ror-cho-viability-p1 set3 4 -3.70462498 -5.84094822 -5.54442887 0.9904772 -1.45442444 -2.27356322 -4.67347332 -1.53157081 -1.61998922 -2.45083525 -3.83450079 -1.03334732 -1.05348304 -3.06788353 -1.66123481 1.187E-9 2.6549999999E-9 5.937E-9 1.3279999999E-8 2.968E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.421E-7 0.000001659 0.0000037109999999 0.000008297 0.00001855 0.00004149 0.00009276 77-92-9 311 144209603 A A Citric acid OC(=O)CC(O)(CC(O)=O)C(=O)O Tox21_202405 -NCGC00259935-01 196722082 tox21-ror-cho-viability-p1 set3 4 39.1205716412 11.031502048 -4.031502048 7 2.7202212143 0.5529295742 0.1342110364 -7.69093418 -2.25425627 -1.6648462 2.0257213 -3.14253393 -8.35958504 -4.70421859 -7.43934086 -3.98889815 -2.6043317 -3.33300942 -5.49227365 -4.23616393 2.39439065 5.90108696 1.194E-9 2.6689999999E-9 5.968E-9 1.335E-8 2.9839999999E-8 6.6729999999E-8 1.4919999999E-7 3.3359999999E-7 7.4599999999E-7 0.000001668 0.00000373 0.0000083409999999 0.00001865 0.0000417 0.000093249999999 106-24-1 637566 144209584 A A Geraniol C\C(C)=C\CCC(\C)=C\CO Tox21_202386 -NCGC00091645-07 196697393 tox21-ror-cho-viability-p1 set1 4 -0.96230728 0.66063329 0.1737291 4.07094898 0.53161011 -2.99362845 0.66977019 -1.30403534 -3.18594078 -0.49784306 -0.41122464 0.66031764 4.42348777 4.32846435 -0.48696707 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 121-33-5 1183 170466786 A 4-Hydroxy-3-methoxybenzaldehyde Oc1ccc(cc1OC)C=O Tox21_113534_1 -NCGC00247988-03 196697336 tox21-ror-cho-viability-p1 set1 4 29.8492948118 -21.5909948959 2.5 -19.0909948959 2.6384283767 0.4842545673 0.1927523358 7.50909983 10.33474842 1.73484605 -2.17555226 12.44066573 0.67475952 -1.78999663 -0.4030087 0.5550573 -1.08752708 -2.17531138 2.68495594 0.73619734 -3.31577365 -13.82582908 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1343-78-8 10255083 170466801 A Cochineal O[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)c4c(O)c3C(=O)c2c(C)c(C(=O)O)c(O)cc2C(=O)c3c(O)c4O Tox21_111163_1 -NCGC00090874-06 196697373 tox21-ror-cho-viability-p1 set1 4 0.0026603212 -4.4066868279 3.5 -0.9066868279 4.9549173134 0.377707053 0.2993577393 0.06278854 6.98620272 0.35242471 -1.26111316 1.54013322 -1.13125666 1.05803549 -0.1366149 0.26554341 -1.49343021 -4.08890569 -2.46946679 0.55874147 -1.9281667 -0.66519148 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-03-6 5794 170464741 F Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_111034_1 -NCGC00166207-02 196697387 tox21-ror-cho-viability-p1 set1 4 -0.70723787 2.89569771 -1.79151165 -1.00136549 -0.39437537 -0.56465958 -0.71519048 -3.70958904 -5.88069958 1.86484726 -3.87056501 -2.4989833 -0.07659739 -0.62763547 -1.22787729 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 38609-97-1 38072 170466071 A Cridanimod O=C(O)CN3c1ccccc1C(=O)c2ccccc23 Tox21_112348_1 -NCGC00178714-04 196697431 tox21-ror-cho-viability-p1 set1 4 0.90571179 2.48717448 -0.28048489 1.8123395 0.80293558 1.91228104 1.66666121 3.71189376 0.88170254 1.19800793 1.73285103 1.30122538 0.89204704 0.89812253 2.51819124 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97240-79-4 5284627 170464746 A Topiramate NS(=O)(=O)OC[C@]23OC[C@H]1OC(C)(C)O[C@H]1[C@@H]3OC(C)(C)O2 Tox21_111472_1 -NCGC00179034-07 196697439 tox21-ror-cho-viability-p1 set1 4 0.04764225 -3.41794651 -0.22352524 -4.02106578 -2.89443717 0.34729967 0.44759129 1.89757485 -6.59865628 -3.76035957 -5.33889857 -4.66374612 -0.6747184 0.80031713 0.37056782 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 140-64-7 8813 170464786 A Pentamidine isethionate OCCS(=O)(=O)O.OCCS(=O)(=O)O.N=C(N)c1ccc(cc1)OCCCCCOc2ccc(cc2)C(=N)N Tox21_110742_1 -NCGC00167440-02 196697484 tox21-ror-cho-viability-p1 set1 4 1.01751662 -6.24729218 -4.54281003 0.22955511 0.6806891 0.1336687 -0.25495856 1.39851673 -2.41579895 1.91635138 2.23416761 0.27329186 -0.29556206 0.0643386 -3.1643917 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 147536-97-8 104865 170465245 A Bosentan CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc3nc(nc(OCCO)c3Oc2ccccc2OC)c4ncccn4 Tox21_112444_1 -NCGC00254947-01 196714490 tox21-ror-cho-viability-p1 set2 4 -0.00378857 -0.45756187 -0.03726443 0.84948422 -0.1099735 -1.38279201 -0.90506592 2.08013669 0.10651842 3.42023211 -1.57365316 -0.14928234 0.77597039 -0.11448806 0.82458571 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131-11-3 8554 144211362 A A Dimethyl phthalate COC(=O)c1ccccc1C(=O)OC Tox21_301045 -NCGC00090780-04 196716138 tox21-ror-cho-viability-p1 set2 4 -0.20778681 0.17595666 -1.57158031 -1.0428887 0.04929458 -1.60827626 -2.73369338 -1.10587156 -0.9794294 -1.4224138 -0.82474885 -1.6014252 -1.48416421 -4.06084903 -6.36668309 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00258173-01 196716139 tox21-ror-cho-viability-p1 set2 4 5.17586329 2.51998224 -1.09988784 0.56542234 4.30053787 4.7739306 0.88292373 2.01841614 0.98670435 6.01549357 3.05997817 4.97103895 6.44490825 4.93124777 8.85685299 1.1379999999E-9 2.544E-9 5.688E-9 1.2719999999E-8 2.844E-8 6.3589999999E-8 1.422E-7 3.18E-7 7.11E-7 0.00000159 0.000003555 0.000007949 0.00001778 0.00003975 0.000088879999999 106-94-5 7840 144207817 FC Fc 1-Bromopropane BrCCC Tox21_200619 -NCGC00258424-01 196716535 tox21-ror-cho-viability-p1 set2 4 -0.77700379 -1.03709869 -1.29736063 -1.06109281 -1.85318233 1.35078288 0.16437661 1.10582214 0.66459872 -4.0198506 -2.41291306 -1.98332466 -0.26773871 -0.21077468 -0.46804633 1.165E-9 2.6039999999E-9 5.8229999999E-9 1.302E-8 2.912E-8 6.51E-8 1.456E-7 3.255E-7 7.2789999999E-7 0.000001628 0.000003639 0.0000081379999999 0.0000182 0.00004069 0.00009099 770-05-8 102484 144208068 A A Octopamine hydrochloride Cl.OC(CN)c1ccc(O)cc1 Tox21_200870 -NCGC00255006-01 196714080 tox21-ror-cho-viability-p1 set2 4 0.22686456 1.32730521 1.58162323 -1.21577607 1.40873325 2.63293458 2.73446899 1.44588127 -0.46291848 4.2988464 2.08525997 3.26439801 3.86110167 -0.65847063 0.31237792 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18268-70-7 28999 144211423 A A Tetraethylene glycol di(2-ethylhexanoate) O=C(OCCOCCOCCOCCOC(=O)C(CC)CCCC)C(CC)CCCC Tox21_301106 -NCGC00091210-02 196714485 tox21-ror-cho-viability-p1 set2 4 43.2771256911 -12.616845776 -1.5 -14.116845776 0.7 0.5388550907 0.1464394877 0.50734991 -3.0545092 -0.19718798 -2.3906506 0.00875747 -0.11102225 -7.24518762 -4.51800516 -1.93034259 -0.16663666 -2.95407374 -2.98009943 -9.68944389 -5.73161508 -10.09737148 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00254505-01 196714488 tox21-ror-cho-viability-p1 set2 4 0.27615292 -3.0139177 1.14937158 0.01326944 0.17346744 0.68036736 1.54409698 1.93797214 0.53761101 0.20926302 1.10326872 1.83863557 2.9152569 1.63396694 1.36569345 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-04-2 667493 144210815 A A 6-Methyl-2-thiouracil O=C1C=C(C)NC(=S)N1 Tox21_300497 -NCGC00253957-01 196714499 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -19.4916273919 -2 -21.4916273919 3.9899729863 0.7045423657 0.0364171904 -0.44916337 -0.22277597 -0.94427532 -3.60326236 -2.41802805 -2.32618348 -5.85714235 -2.21718431 -3.75697677 -5.24820152 -6.93205183 2.06305304 -0.40378306 -4.01529699 -17.07635616 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-44-1 643460 144210502 B Sorbic acid C\C=C\C=C\C(=O)O Tox21_300182 -NCGC00255037-01 196714897 tox21-ror-cho-viability-p1 set2 4 -0.83493996 0.71652707 -1.25255485 -0.82729463 -3.85905061 -1.01004047 1.00052935 0.3531585 0.22192881 -3.67169801 0.84151867 0.9544203 1.65194827 -2.23710512 -6.40040261 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-21-3 2728 144211456 A A Chlorpropham Clc1cc(NC(=O)OC(C)C)ccc1 Tox21_301139 -NCGC00253985-01 196714904 tox21-ror-cho-viability-p1 set2 4 -0.97382485 -2.85462629 -0.39099321 -1.88177177 -2.52496696 0.36230446 -6.2859214 -7.01780041 -0.39315768 -5.55057642 -5.93777883 -2.14962669 -3.70304193 -3.31806267 -1.45385674 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-57-5 8697 144210428 A A 2-Ethylhexanoic acid CCCCC(CC)C(=O)O Tox21_300108 -NCGC00253932-01 196714909 tox21-ror-cho-viability-p1 set2 4 -6.38015357 -2.45749148 -0.26372353 -7.17046084 -7.78409398 -2.98786035 -2.60106771 -5.52630557 -10.13021294 -2.73297639 -4.40214983 -3.38973764 -6.68282475 2.75968023 -1.04288567 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-06-1 6579 144210465 A A Acrylamide C=CC(N)=O Tox21_300145 -NCGC00258403-01 196715317 tox21-ror-cho-viability-p1 set2 4 1.44072746 -1.09946212 0.72659038 1.30406509 -3.02949609 0.15196148 -2.58097958 -3.02116664 -0.34751144 -0.98143449 -1.75657379 -3.04389946 -2.3299376 -1.41403137 1.34232193 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 0.000091709999999 108-86-1 7961 144208047 AC Ac Bromobenzene Brc1ccccc1 Tox21_200849 -NCGC00257700-01 196715323 tox21-ror-cho-viability-p1 set2 4 4.48722676 3.26952088 0.11987484 4.34372737 3.46155431 7.69733586 1.11379832 6.32136545 6.02891788 7.12111406 0.13828071 6.52415758 5.67600421 7.85596862 6.0471684 1.1839999999E-9 2.648E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.619E-8 1.4799999999E-7 3.309E-7 7.4E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.0000925 105-05-5 7734 144207344 AC Fc 1,4-Diethylbenzene CCc1ccc(CC)cc1 Tox21_200146 -NCGC00257956-01 196715334 tox21-ror-cho-viability-p1 set2 4 -1.27212939 -5.36001712 1.45776804 1.05341204 -1.27602211 2.68249164 -1.81678587 1.94076477 -0.24630302 1.67576098 1.70435206 1.6893713 0.62744871 -0.24013344 0.91140851 1.218E-9 2.7239999999E-9 6.0899999999E-9 1.3619999999E-8 3.045E-8 6.809E-8 1.5229999999E-7 3.405E-7 7.6129999999E-7 0.000001702 0.000003806 0.0000085109999999 0.00001903 0.00004256 0.000095159999999 106-44-5 2879 144207600 A A p-Cresol Cc1ccc(O)cc1 Tox21_200402 -NCGC00356979-01 196724469 tox21-ror-cho-viability-p1 set3 4 0.1368542878 6.8157994759 -4.8157994759 2 4.4494702849 0.4456336411 0.2292666522 -11.51316623 -3.31357084 2.396838 -5.88944812 -2.04422275 -7.47764526 -0.68130373 3.49459784 2.15723369 2.44077314 3.2410416 -3.50686885 -0.98389483 1.66931226 5.44819951 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 611-14-3 11903 251919830 Fns 1-Ethyl-2-methylbenzene Cc1ccccc1CC Tox21_303797 -NCGC00013565-03 196725229 tox21-ror-cho-viability-p1 set3 4 1.79090988 2.70604136 1.29984259 0.05375826 2.03639216 0.76072882 -0.09894018 -1.06548416 -0.2840007 7.9973676 2.32859252 -0.79806608 0.95424482 0.92603665 4.33037529 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 328-38-1 439524 170465492 A D-Leucine CC(C)C[C@@H](N)C(=O)O Tox21_112049_1 -NCGC00160421-03 196725232 tox21-ror-cho-viability-p1 set3 4 14.9600854925 -13.948841696 4.5 -9.448841696 1.6435888099 0.4469536651 0.2274581693 0.94576457 0.11973982 -0.04493351 -0.82140859 5.57659567 3.22887644 5.04307415 11.50967816 13.17088027 7.41672831 8.78479997 -0.24291252 -1.08154788 -2.11690378 -8.70736808 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-46-8 6018 170464675 A Tetrabenazine CC(C)CC2CN3CCc1cc(OC)c(OC)cc1C3CC2=O Tox21_111803_1 -NCGC00015917-06 196725295 tox21-ror-cho-viability-p1 set3 4 0.64849086 -12.75739327 -0.37742686 -0.89839604 -2.90155866 -1.3670717 -6.91356857 -3.58014788 0.76205978 2.64566198 1.80056046 -6.74437079 0.73760027 1.61321173 -1.29859408 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 1197334-04-5 11957707 170466892 A SB 206553 hydrochloride Cl.Cn4ccc3cc1c(CCN1C(=O)Nc2cccnc2)cc34 Tox21_111278_1 -NCGC00258806-01 196724480 tox21-ror-cho-viability-p1 set3 4 67.9623322576 19.8872678719 -2.8872678719 17 4.9549173134 0.5860974052 0.1074548405 -7.2031995 -6.59332572 -4.2161114 -0.92095578 -4.67712234 -9.90605656 0.83599907 2.57126694 -0.30016616 -0.00448272 0.81307413 -1.97765144 -2.4567255 -2.4677316 13.24768758 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 115-96-8 8295 144208452 A A Tris(2-chloroethyl) phosphate ClCCOP(=O)(OCCCl)OCCCl Tox21_201254 -NCGC00257696-01 196724900 tox21-ror-cho-viability-p1 set3 4 0.0241880978 -10.419252288 12 1.580747712 0.8999999999 0.449175818 0.2256944648 12.45385617 7.88623008 9.39737895 12.00263188 4.46713977 2.87501323 6.67841383 3.80864304 -2.58490694 -3.68271024 5.34101241 -0.97271511 9.67051862 -0.3642762 5.42976044 1.1739999999E-9 2.625E-9 5.871E-9 1.3129999999E-8 2.9349999999E-8 6.564E-8 1.468E-7 3.282E-7 7.338E-7 0.000001641 0.000003669 0.000008204 0.00001835 0.00004102 0.00009173 85-44-9 6811 144207340 A A Phthalic anhydride O=C1OC(=O)c2ccccc12 Tox21_200142 -NCGC00021761-05 196725292 tox21-ror-cho-viability-p1 set3 1.4 0.0375780358 20.6407895959 -3.1407895959 17.5 1.826479391 0.7884556869 0.010025699 -11.78399133 -2.07340454 2.20437639 2.20536037 -0.4386625 3.30845859 13.88668666 23.76193893 18.69535804 12.30754401 17.02041711 19.49164112 10.4268068 24.50228661 14.60112842 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2135-17-3 16490 170465750 A Flumethasone OCC(=O)[C@@]4(O)[C@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3C[C@H](F)C1=CC(=O)C=C[C@@]12C Tox21_110518_1 -NCGC00166072-02 196725301 tox21-ror-cho-viability-p1 set3 4 -4.13066241 -6.06486224 -1.49997283 -2.43996921 -0.9402729 -2.11951513 -0.77342667 -5.82561759 -0.73576616 -1.61285333 2.08116504 -2.61768416 -4.22986045 -2.35740243 -0.31938757 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 608-66-2 11850 170465564 Z D-Galactitol O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)CO Tox21_111643_1 -NCGC00024563-05 196725304 tox21-ror-cho-viability-p1 set3 1.4 0.0298492948 13.5 2.5 16 4.9549173134 0.7152947704 0.031639584 0.53397785 1.01366953 4.13735162 8.25203638 0 10.36895481 23.53984368 15.65541122 15.86050858 14.5327644 17.91889197 18.84184591 11.95164425 7.36711196 16.43163467 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123040-69-7 2264 170466158 Ac Azasetron hydrochloride Clc1cc(c2OCC(=O)N(C)c2c1)C(=O)NC4CN3CCC4CC3 Tox21_110906_1 -NCGC00091663-03 196725313 tox21-ror-cho-viability-p1 set3 4 0.3063785869 6.3420035601 0.1579964399 6.5 1.752947691 0.5950656947 0.1013808712 4.41053663 1.50313949 -1.81810325 -1.80557244 -0.94460324 -2.3683363 3.19196398 4.92962498 1.25122247 10.43371789 6.31998629 5.68195018 6.43465521 9.26998152 4.09781049 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00093739-13 196725314 tox21-ror-cho-viability-p1 set3 4 0.18979718 -0.293654 10.5114241 6.83353803 5.53216097 6.51683582 1.54189259 4.04152349 -4.99723909 0.17596024 5.04546417 14.34347758 8.81899051 5.88687301 9.25383618 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 486-56-6 854019 170466160 A Cotinine CN2C(=O)CC[C@H]2c1cnccc1 Tox21_111219_1 -NCGC00344565-01 196725708 tox21-ror-cho-viability-p1 set3 4 3.98444761 3.41716699 -1.22446646 0.8812157 -0.5602133 1.16424319 2.86412124 0.1800456 2.11284257 1.75344236 3.91480942 2.15833276 -1.50428392 -0.56216183 0.14200811 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 108612-45-9 65906 170465604 A Mizolastine O=C1C=CN=C(N1)N(C)C2CCN(CC2)c4nc5ccccc5n4Cc3ccc(F)cc3 Tox21_112663_1 -NCGC00165993-02 196725713 tox21-ror-cho-viability-p1 set3 4 -7.00067056 -12.33898841 -1.46350302 -0.252982 -2.89961118 -1.23505353 -3.34477771 -3.63450078 -9.0127425 -13.53992943 -4.39640566 -3.79988124 -1.72555058 -1.44262192 -2.55444783 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98-98-6 1018 170466822 Z Picolinic acid O=C(O)c1ccccn1 Tox21_112282_1 -NCGC00258756-01 196724082 tox21-ror-cho-viability-p1 set3 4 1.3964246141 -10.9713058 3.5 -7.4713058 0.5 0.3670577215 0.3201904627 4.02194593 2.86740279 -3.73273529 9.2806257 5.95661884 -4.50974464 2.39992649 -4.82895669 6.17432163 -5.60464293 -4.05349885 -3.1363303 -5.8094215 -5.57637037 3.66491845 1.1999999999E-9 2.684E-9 6.001E-9 1.3419999999E-8 3.0009999999E-8 6.71E-8 1.5E-7 3.355E-7 7.5019999999E-7 0.000001677 0.0000037509999999 0.000008387 0.00001875 0.000041939999999 0.000093769999999 52806-53-8 91649 144208402 A A Hydroxyflutamide O=C(Nc1cc(c(cc1)[N+]([O-])=O)C(F)(F)F)C(C)(C)O Tox21_201204 -NCGC00167522-02 196723668 tox21-ror-cho-viability-p1 set3 4 37.5780357627 12.079389316 -3.079389316 9 4.9549173134 0.497052092 0.1826070421 -3.65898571 -3.37628872 -3.69243288 -3.32567839 -0.39214256 1.83012703 -0.82701343 -3.38375401 -0.95758977 -5.8121289 -1.88375261 -3.98202968 -9.23282443 -5.41610261 7.44559528 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 32266-10-7 325003 170465755 Z Hexoprenaline sulfate Oc1ccc(cc1O)C(O)CNCCCCCCNCC(O)c2ccc(O)c(O)c2.O=S(=O)(O)O Tox21_112519_1 -NCGC00260193-01 196724080 tox21-ror-cho-viability-p1 set3 4 0.0481289763 -21.22913599 -9.47330467 1.38623646 -5.50446458 0.64640227 -4.00333692 1.19153562 -2.23124875 7.92484904 1.66722283 1.49741659 -2.40872818 2.96154862 0.15671915 11.59219957 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.000092909999999 328090-25-1 10636633 144209843 Ac 1-Ethyl-3-methylimidazolium tosylate C[n+]1ccn(CC)c1.[O-]S(=O)(=O)c1ccc(C)cc1 Tox21_202645 -NCGC00260381-01 196724084 tox21-ror-cho-viability-p1 set3 4 0.0013796843 9.508210068 -7.008210068 2.5 4.9549173134 0.321376743 0.3509046319 -4.17350839 2.19396548 3.23084668 0.22987275 5.0267008 8.72143956 -0.00264256 0.26655584 3.2500047 1.01994502 3.3245122 2.95407294 4.87572383 -1.97334946 3.75547144 1.188E-9 2.657E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016599999999 0.000003713 0.000008302 0.00001856 0.000041509999999 0.00009282 492-94-4 68119 144210033 A A Ethanedione,di-2-furanyl- O=C(C(=O)c1ccco1)c2ccco2 Tox21_202835 -NCGC00260084-01 196724086 tox21-ror-cho-viability-p1 set3 4 -1.23182089 3.17180823 1.85990918 0.67186654 2.27180334 4.8872914 0.59324651 1.6837799 -0.62033832 -2.32651146 9.02407298 0.67280358 5.90286036 4.65399545 8.02097271 5.908E-10 1.3209999999E-9 2.954E-9 6.6049999999E-9 1.477E-8 3.303E-8 7.3849999999E-8 1.651E-7 3.693E-7 8.257E-7 0.000001846 0.000004128 0.000009231 0.00002064 0.000046159999999 361-09-1 23668194 144209733 A A Sodium cholate [Na+].[O-]C(=O)CC[C@@H](C)[C@H]2CC[C@H]1[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]12C Tox21_202535 -NCGC00163160-04 196697933 tox21-ror-cho-viability-p1 set1 4 16.7854920005 10.4730942319 -0.9730942319 9.5 2.7202212143 0.6869637357 0.0447995113 -7.06091186 -0.2486815 0.0173783 -0.73414482 -0.26688122 -0.24977688 1.32471814 -3.19256586 -0.5103673 0.47373961 -1.06811074 0.05985002 -1.40307811 7.05935751 8.55989017 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 101626-70-4 5374 170466015 Z Talipexole C=CCN1CCc2sc(N)nc2CC1 Tox21_112020_1 -NCGC00249926-01 196697938 tox21-ror-cho-viability-p1 set1 4 3.88454701 -0.97193122 -0.97916223 -0.41094623 -0.61471661 -2.01881505 -0.65242236 -0.59348943 -3.9301885 -2.14257102 -0.75581846 -0.9693499 0.50569776 3.88628092 -0.57807011 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68252-19-7 65502 170466004 A A Pirmenol C[C@H]3CCC[C@@H](C)N3CCCC(O)(c1ccccc1)c2ccccn2 Tox21_113702 -NCGC00090987-03 196721650 tox21-ror-cho-viability-p1 set3 4 -6.79768314 -3.55530691 -4.17732819 -0.73016168 -4.19372751 -2.56056116 -2.26870437 -3.84355898 -2.25272848 5.0301907 -1.71638874 -5.67381877 -8.82223653 -3.38477625 -2.23284781 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00259414-01 196721249 tox21-ror-cho-viability-p1 set3 4 -4.69063396 -3.15066994 3.6768465 10.7917915 -2.93344387 0.84505829 -6.06234528 2.1035246 -4.10011947 -3.81541543 2.0331022 -0.45383402 0.79379623 8.20573839 -8.84055325 1.197E-9 2.676E-9 5.983E-9 1.338E-8 2.9909999999E-8 6.689E-8 1.496E-7 3.345E-7 7.479E-7 0.0000016719999999 0.0000037389999999 0.000008361 0.000018699999999 0.00004181 0.00009348 638-38-0 12525 144209063 FC Manganese(II) acetate [Mn+2].[O-]C(C)=O.[O-]C(C)=O Tox21_201865 -NCGC00259972-01 196721630 tox21-ror-cho-viability-p1 set3 4 24.3860225971 9.4887548 -5.4887548 4 4.9549173134 0.7631614921 0.0160505794 -5.87976333 -6.53472037 -4.31887436 -0.0556354 -5.07110988 -7.10946459 -7.490629 -7.09431938 -6.30465596 -4.35337457 -6.11186561 -6.03125734 -4.40770453 4.41631853 3.27499958 1.182E-9 2.644E-9 5.9109999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.305E-7 7.3889999999E-7 0.0000016519999999 0.0000036949999999 0.000008261 0.000018469999999 0.00004131 0.000092359999999 55589-62-3 11074431 144209621 A A Acesulfame potassium [K+].CC1=CC(=O)[N-]S(=O)(=O)O1 Tox21_202423 -NCGC00259118-01 196721648 tox21-ror-cho-viability-p1 set3 -1.1 1.9056285932 -60.2545650102 -8.459320966 -68.7138859762 0.6 0.912361119 0.000165033 -11.19169135 -9.06797563 -12.04112552 -2.00337903 -17.61040076 -15.25344904 -18.87730472 -27.67787379 -27.47167104 -30.09817887 -50.60074804 -58.98924374 -52.08362621 -47.90100983 -72.55604033 1.166E-9 2.608E-9 5.831E-9 1.304E-8 2.9149999999E-8 6.5189999999E-8 1.458E-7 3.26E-7 7.288E-7 0.0000016299999999 0.0000036439999999 0.000008149 0.00001822 0.00004074 0.00009111 137-26-8 5455 144208767 A A Thiram CN(C)C(=S)SSC(=S)N(C)C Tox21_201569 -NCGC00258801-01 196722032 tox21-ror-cho-viability-p1 set3 4 2.2043340826 22.5005959159 -13.0005959159 9.5 3.6272481694 0.8905080864 0.0922297308 -11.33844156 -13.99939387 -15.83382993 -9.30140272 -15.08175309 -11.82508246 -11.65202032 -13.73945502 -12.21928729 -6.55874572 6.41963956 14.25415343 14.32776392 48.34688244 0.59747602 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.0000016719999999 0.0000037379999999 0.000008358 0.00001869 0.00004179 0.00009344 753-73-1 12955 144208447 B Dimethyltin dichloride C[Sn](C)(Cl)Cl Tox21_201249 -NCGC00254602-01 196719831 tox21-ror-cho-viability-p1 set3 -2.1 30.5444110439 -78.7338665244 -5.24261772 -83.9764842444 0.7 0.8308314098 0.0038587696 -0.70106458 -3.08624809 3.80762853 -24.95370149 -0.4720641 -0.3117072 -6.8509522 -20.27537178 -0.66670164 -22.1797564 -22.48086066 -24.53981458 -31.64225004 -50.74602765 -63.61854867 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 29091-21-2 34469 144211011 A A Prodiamine [O-][N+](=O)c1cc(c(N)c([N+]([O-])=O)c1N(CCC)CCC)C(F)(F)F Tox21_300694 -NCGC00254426-01 196719833 tox21-ror-cho-viability-p1 set3 4 15.5528996 13.42511415 12.49385831 16.69029128 9.85952905 7.3349533 13.18352336 9.82871265 5.4690536 13.29251989 16.16091273 15.19620627 6.74127919 10.1738391 3.67693617 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47265 9869142 144210750 A A CP-471358 O=S(=O)(N(CCC(=O)O)C1(CCCC1)C(=O)NO)c3ccc(Oc2ccc(F)cc2)cc3 Tox21_300432 -NCGC00254763-01 196720225 tox21-ror-cho-viability-p1 set3 4 1.08961492 8.47326802 11.34480352 8.39783966 12.59226545 10.16603134 -4.59565474 6.91941317 -3.51785177 -1.91440595 -1.09463265 6.14321763 11.11738067 -4.66267133 1.00846219 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 52-68-6 5853 144211177 A A Trichlorfon OC(C(Cl)(Cl)Cl)P(=O)(OC)OC Tox21_300860 -NCGC00188865-03 196717752 tox21-ror-cho-viability-p1 set2 4 3.33310326 3.91536468 2.57604879 1.59600769 0.74135384 3.29952392 0.60830029 -0.45786407 4.0132635 2.4665523 3.01444873 2.20300599 0.47540155 -0.18410555 -3.95018381 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 444731-52-6 10113978 170465625 A Pazopanib NS(=O)(=O)c1cc(ccc1C)Nc2nccc(n2)N(C)c3ccc4c(C)n(C)nc4c3 Tox21_113174_1 -NCGC00253655-01 196717738 tox21-ror-cho-viability-p1 set2 4 4.14726822 -2.45745287 -0.78618869 -1.37996525 1.91826912 0.0968142 -13.57923783 2.18547635 2.81868182 -1.03439097 -2.19413232 2.92878836 -1.3240552 2.78330201 4.1780537 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21440-97-1 30630 170466282 A A Brofoxine Brc1ccc2NC(=O)OC(C)(C)c2c1 Tox21_113781 -NCGC00253730-01 196717746 tox21-ror-cho-viability-p1 set2 4 1.57065775 -1.29435896 1.4923259 0.10205072 2.06149487 2.13350412 0.63508739 -1.78491424 1.06218695 2.9732224 0.68067929 3.6653628 1.7853863 2.3571555 -1.26312956 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1075-89-4 136843 170466699 A A 3,3-Tetramethyleneglutarimide O=C2CC1(CCCC1)CC(=O)N2 Tox21_113849 -NCGC00253649-01 196717751 tox21-ror-cho-viability-p1 set2 4 1.42391396 1.16961831 1.36510252 5.43517291 3.44392377 4.43284308 6.49365715 4.8787009 1.07223155 0.06297867 3.39724224 0.88204247 -0.75309681 0.10386331 0.60712824 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4462-55-9 78212 170466742 F F 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride ClC(=O)c2c(C)onc2c1c(Cl)cccc1Cl Tox21_113775 -NCGC00257488-01 196718147 tox21-ror-cho-viability-p1 set2 4 1.54868265 -0.14628092 0.03957108 0.09225018 2.70269378 1.72835169 2.36110674 4.60054528 0.50877675 0.23605374 5.01267666 -1.90312018 -1.03285487 2.88624625 2.15100746 1.1689999999E-9 2.614E-9 5.845E-9 1.3069999999E-8 2.9229999999E-8 6.535E-8 1.461E-7 3.268E-7 7.3069999999E-7 0.0000016339999999 0.000003653 0.000008169 0.00001827 0.00004085 0.00009134 4065-45-6 19988 144213779 A A Sulisobenzone OS(=O)(=O)c1cc(c(O)cc1OC)C(=O)c2ccccc2 Tox21_303469 -NCGC00256672-01 196718162 tox21-ror-cho-viability-p1 set2 4 -4.08695975 -2.79868809 -0.48927443 0.94181713 -1.05115842 -0.59803446 -0.23738551 -4.48490759 -3.97839008 -1.0270273 -0.46998001 0.0473187 0.58977869 -1.384527 1.53755972 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-36-6 7649 144212955 A Fc Ethyl cinnamate O=C(C=Cc1ccccc1)OCC Tox21_302638 -NCGC00256778-01 196718167 tox21-ror-cho-viability-p1 set2 4 -1.29002574 0.12750349 -1.46364903 1.69287196 -0.32122589 7.15944218 3.64261657 5.90731994 2.35081234 2.33507063 2.56062713 -0.56672788 1.11986992 0.81604458 3.76132828 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1193-81-3 137829 144212829 A A 1-Cyclohexylethanol CC(O)C1CCCCC1 Tox21_302512 -NCGC00257296-01 196718573 tox21-ror-cho-viability-p1 set2 -2.2 61.130564862 -57.7899305539 -2.2324031569 -60.0223337108 2.8472712143 0.9603334447 0.0000023421 -4.797103 -1.72630362 -0.90734566 -2.47894062 -4.30232384 -2.38595831 0.4763097 -0.63388865 -8.40930003 -1.99345568 1.09499088 -4.20457711 -2.55402217 -16.54116904 -46.22904069 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149413-74-1 10159191 144213784 A A FR150011 O=C(O)Cc4ccccc4COc1cc2cc(oc2cc1)c3nc(cs3)C(C)(C)C Tox21_303474 -NCGC00256738-01 196718987 tox21-ror-cho-viability-p1 set2 -1.1 0.3857077887 -87.0658049639 0.029453845 -87.0363511189 1.9673362061 0.9929212978 1E-10 -5.14038308 -0.48990017 0.80928129 5.16189044 -5.68957987 -3.35537814 -5.06086626 -38.01752193 -73.22902453 -81.07725545 -84.77896775 -85.85137275 -85.98203301 -84.84166628 -89.54357111 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1162-06-7 16682953 144212799 F F Triphenyllead acetate CC(=O)O[Pb](c1ccccc1)(c2ccccc2)c3ccccc3 Tox21_302482 -NCGC00256989-01 196719002 tox21-ror-cho-viability-p1 set2 4 -2.4942112 2.00442835 -1.02574154 -1.61189634 -0.21303902 2.05521948 1.35290203 -0.04746722 -4.32584737 -2.99700832 -2.91244751 1.70621396 -3.15186992 -4.36805594 -3.22509726 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 98-11-3 7371 144213448 A A Benzenesulfonic acid O=S(O)(=O)c1ccccc1 Tox21_303131 -NCGC00257669-01 196729666 tox21-ror-cho-viability-p1 set3 4 0.6768384579 5.29960216 -0.79960216 4.5 3.9899729863 0.4018726479 0.2879982086 -2.33095053 1.02944019 -0.36188159 -2.88921166 -0.52496104 0.30998166 -3.5830018 0.71207081 1.08918444 12.04577238 2.20078513 -0.32031654 9.45714873 0.72180637 0.81703133 1.167E-9 2.6109999999E-9 5.837E-9 1.305E-8 2.919E-8 6.5259999999E-8 1.459E-7 3.2629999999E-7 7.297E-7 0.0000016319999999 0.000003648 0.0000081579999999 0.000018239999999 0.000040789999999 0.000091209999999 6742-54-7 23194 144207313 AC Fns 1-Phenylundecane CCCCCCCCCCCc1ccccc1 Tox21_200115 -NCGC00258325-01 196730066 tox21-ror-cho-viability-p1 set3 -3 57.0448726728 -99.5465169579 0.8254102539 -98.721106704 4.9549173134 0.9913138141 4E-10 -0.39316995 -0.86541821 0.40238158 4.47830854 3.16233937 1.13600687 -1.18379083 -0.73852088 0.72358781 2.36100744 0.24629897 3.84641869 -2.07779968 -5.0281498 -82.26758892 1.012E-9 2.262E-9 5.058E-9 1.131E-8 2.529E-8 5.655E-8 1.264E-7 2.827E-7 6.322E-7 0.000001414 0.000003161 0.0000070679999999 0.00001581 0.00003534 0.00007903 24169-02-6 68589 144207969 A A Econazole nitrate [O-][N+](=O)O.Clc3ccc(C(OCc1ccc(Cl)cc1)Cn2ccnc2)c(Cl)c3 Tox21_200771 -NCGC00258613-01 196729663 tox21-ror-cho-viability-p1 set3 4 -6.09467386 -4.34133508 1.05699491 -1.27900166 1.85113739 0.28817984 0.14236965 -0.50238977 -3.6159279 0.60053362 1.07483856 0.62400712 3.0246188 1.19841002 3.31235907 1.194E-9 2.67E-9 5.9699999999E-9 1.335E-8 2.985E-8 6.6739999999E-8 1.4919999999E-7 3.337E-7 7.4619999999E-7 0.000001669 0.0000037309999999 0.000008343 0.00001866 0.00004171 0.00009328 624-83-9 12228 144208258 FC Methyl isocyanate C\N=C=O Tox21_201060 -NCGC00258673-01 196730065 tox21-ror-cho-viability-p1 set3 4 27.8344740659 10.082012244 -0.082012244 10 2.3031167061 0.873216495 0.0010588793 0.76928344 0.13194201 -0.09362294 -0.03364241 0.60822624 -0.23380707 0.27420124 0.93414746 -3.40167687 1.99494929 -0.12961037 0.93282089 2.68139611 7.59360219 9.44965756 1.1989999999E-9 2.6809999999E-9 5.995E-9 1.3409999999E-8 2.998E-8 6.703E-8 1.4989999999E-7 3.351E-7 7.494E-7 0.000001676 0.000003747 0.000008378 0.00001873 0.00004189 0.00009367 4097-22-7 20039 144208319 A A 2',3'-Dideoxyadenosine Nc3ncnc2c3ncn2[C@H]1CC[C@@H](CO)O1 Tox21_201121 -NCGC00258173-01 196730075 tox21-ror-cho-viability-p1 set3 4 1.30376538 2.6868911 4.02676966 3.82727601 1.07358452 3.98894495 1.36765605 2.97494618 2.39807307 3.91275947 2.81568927 2.01173629 13.05519722 5.30447278 4.71015689 1.1379999999E-9 2.544E-9 5.688E-9 1.2719999999E-8 2.844E-8 6.3589999999E-8 1.422E-7 3.18E-7 7.11E-7 0.00000159 0.000003555 0.000007949 0.00001778 0.00003975 0.000088879999999 106-94-5 7840 144207817 FC Fc 1-Bromopropane BrCCC Tox21_200619 -NCGC00258584-01 196730475 tox21-ror-cho-viability-p1 set3 4 0.0155428804 6.9175277959 -0.4175277959 6.5 4.9549173134 0.512294986 0.1850592309 -2.84793983 1.11287569 0.51562242 0.87205942 8.22425469 8.17776932 0.8878143 9.65199604 10.63188671 8.23939062 7.611699 7.74058286 5.91650816 -0.13071421 -5.15968098 1.1919999999E-9 2.6649999999E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004163 0.000093099999999 112-37-8 8180 144208229 Ac Fc Undecanoic acid O=C(O)CCCCCCCCCC Tox21_201031 -NCGC00258695-01 196730484 tox21-ror-cho-viability-p1 set3 4 77.506988483 -17.8646964559 -2 -19.8646964559 4.9549173134 0.698652983 0.0390913663 -0.10278809 -0.73804708 0.77863194 -3.00646323 0.24825613 -0.07566777 -2.53120919 -2.97600168 -5.69962486 -0.655267 -2.68964845 -2.95426804 -6.0854889 1.33122592 -15.72058038 1.187E-9 2.6549999999E-9 5.936E-9 1.327E-8 2.968E-8 6.6359999999E-8 1.484E-7 3.318E-7 7.42E-7 0.000001659 0.0000037099999999 0.0000082959999999 0.00001855 0.000041479999999 0.000092749999999 32534-81-9 36159 144208341 I Pentabromodiphenyl ether Brc2cc(Oc1ccc(Br)cc1Br)c(Br)cc2Br Tox21_201143 -NCGC00090686-07 196730493 tox21-ror-cho-viability-p1 set3 4 -0.79491255 3.27344636 0.42665691 2.74690505 4.33084225 1.30081504 1.34865385 1.9673381 1.99250485 -2.80414698 -2.82667417 1.08245315 0.87163708 0.76285625 2.90216774 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00015418-09 196704949 tox21-ror-cho-viability-p1 set1 4 -1.72223998 -3.09668988 -0.49926147 -2.92634239 -3.96811554 -1.7375496 -1.89370229 -0.50635351 -2.27097744 -4.45459702 -5.15404464 -0.44243588 -2.84924092 -2.42238896 1.30442567 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77-67-8 3291 170464802 F Ethosuximide CC1(CC)CC(=O)NC1=O Tox21_110370_1 -NCGC00015874-05 196704535 tox21-ror-cho-viability-p1 set1 4 -0.03550941 0.49479722 -1.86636206 -0.65855271 0.0027816 -1.1172467 1.58502608 -1.38074132 0.66509252 0.78581832 -1.23148121 0.01588863 5.51206043 1.12867825 -5.52932656 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6151-30-0 2725002 170466085 A Quinacrine Cl.Cl.O.O.CCN(CC)CCCC(C)Nc1c3cc(OC)ccc3nc2cc(Cl)ccc12 Tox21_110762_1 -NCGC00262946-01 196704538 tox21-ror-cho-viability-p1 set1 4 3.04487497 6.70826822 5.26707229 2.69930705 0.61643877 -0.58455514 -2.99835191 2.10976406 0.24748467 -0.06807514 0.28523873 -0.15597503 0.57000684 -0.11642518 4.99626065 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 73590-85-9 155794 170466189 A F Omeprazole sulfide Cc3c(OC)c(C)cnc3CSc1nc2cc(ccc2n1)OC Tox21_113939 -NCGC00253717-01 196704540 tox21-ror-cho-viability-p1 set1 4 3.29078723 -0.40634714 0.43187285 5.65980736 3.61974987 7.36172076 2.70291783 3.20241908 1.89235074 -0.21365906 6.82802778 3.31206064 9.66072509 6.32697536 3.26094325 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3943-89-3 77547 170466695 Ac A Ethyl protocatechuate Oc1ccc(cc1O)C(=O)OCC Tox21_113836 -NCGC00164577-02 196705356 tox21-ror-cho-viability-p1 set1 4 1.93618213 4.01397847 3.79596369 0.90932402 2.30274035 1.45645184 -4.81880603 4.8914551 1.28681074 0.29329157 -0.53560371 1.13623344 0.34923899 3.05573476 3.21719712 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2011-67-8 4496 170465912 A Nimetazepam [O-][N+](=O)c1ccc2c(c1)C(=NCC(=O)N2C)c3ccccc3 Tox21_112205_1 -NCGC00263545-01 196705365 tox21-ror-cho-viability-p1 set1 4 -0.34256134 -0.4094965 1.82641549 -5.28549733 3.41919936 6.00562706 1.06382418 -1.95977586 2.10311477 -5.73821513 -0.02436649 3.4677891 0.22236688 0.25542366 0.09901118 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 38398-32-2 6918305 170466317 F Ganaxolone CC(=O)[C@H]4CC[C@@H]3[C@]4(C)CC[C@H]1[C@H]3CC[C@H]2C[C@](C)(O)CC[C@]12C Tox21_112264_1 -NCGC00263568-01 196705371 tox21-ror-cho-viability-p1 set1 4 0.2371013766 -12.531259696 -0.5 -13.031259696 4.9549173134 0.8065614313 0.006932113 -0.49926223 0.20253601 2.20542957 -5.97817745 -5.34590585 3.80980091 0.51598135 -1.3354518 -12.97990198 -13.36572683 -7.72118998 -15.85938308 -12.06747823 -11.81163873 -14.8443871 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 125317-39-7 16051941 170465330 A Vinorelbine tartrate O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O.O=C(OC)[C@@]2(C[C@@H]4C=C(CC)C[N@](Cc1c3ccccc3nc12)C4)c5cc9c(cc5OC)N(C)[C@@H]6[C@]98CCN7CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]6(O)C(=O)OC)[C@H]78 Tox21_112271_1 -NCGC00259573-01 196705771 tox21-ror-cho-viability-p1 set1 -1.4 3.0731353875 -47.1390471143 3.228082426 -43.9109646883 4.9549173134 0.8204911757 0.7281475103 1.88969437 3.83578112 1.16465566 -2.56133064 5.75133687 1.31300231 4.77233282 2.48906031 5.9371147 3.94741332 -29.60750125 -55.71790906 -16.717746 88.975651 -59.50123678 1.183E-9 2.6459999999E-9 5.916E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3069999999E-7 7.395E-7 0.0000016539999999 0.0000036979999999 0.000008268 0.000018489999999 0.00004134 0.000092439999999 3524-68-3 19042 144209222 D Pentaerythritol triacrylate O=C(C=C)OCC(COC(=O)C=C)(CO)COC(=O)C=C Tox21_202024 -NCGC00259373-01 196705778 tox21-ror-cho-viability-p1 set1 4 -2.15434166 -0.99477191 5.33348948 4.76522651 -1.08357543 1.12979033 3.95919969 -0.9214041 10.63860052 15.47979097 -0.16573794 -5.57043216 -1.01185855 -0.14433817 -1.80195857 1.188E-9 2.657E-9 5.941E-9 1.3289999999E-8 2.971E-8 6.6429999999E-8 1.4849999999E-7 3.321E-7 7.427E-7 0.0000016609999999 0.000003713 0.000008303 0.00001857 0.00004152 0.000092829999999 15299-99-7 27189 144209022 A A Napropamide CCN(CC)C(=O)C(C)Oc2cccc1ccccc12 Tox21_201824 -NCGC00259008-01 196706193 tox21-ror-cho-viability-p1 set1 4 2.96010915 0.58287257 7.83802895 1.79087061 -0.18016814 1.30584008 0.4145034 1.44616646 3.86489756 17.19543405 1.4289637 2.82345461 0.65193104 0.87005401 4.64787155 1.157E-9 2.5879999999E-9 5.7869999999E-9 1.2939999999E-8 2.8929999999E-8 6.4699999999E-8 1.447E-7 3.235E-7 7.233E-7 0.000001617 0.000003617 0.0000080869999999 0.000018079999999 0.00004043 0.00009041 86-30-6 6838 144208655 I N-Nitrosodiphenylamine O=NN(c1ccccc1)c2ccccc2 Tox21_201457 -NCGC00259201-01 196706195 tox21-ror-cho-viability-p1 set1 -1.1 5.4648933839 -87.2191185567 -5.256484365 -92.4756029217 1.826479391 0.986449153 4.9E-9 -2.86557124 -5.85745624 0.27382277 -13.68150445 -9.8035773 0.22963686 -6.22766772 -1.96248466 -7.28827452 -19.69085411 -29.21160597 -66.15475293 -83.40273939 -92.29102088 -90.40937573 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 117-80-6 8342 144208850 A D Dichlone O=C2c1ccccc1C(=O)C(Cl)=C2Cl Tox21_201652 -NCGC00259621-01 196706600 tox21-ror-cho-viability-p1 set1 -2.1 61.0062525823 -98.0730727557 2.3029705445 -95.7701022112 3.5722481694 0.9887040706 1.7E-9 2.06313077 1.06599925 6.46323895 5.13368738 2.42507264 -1.67645611 1.96612069 0.04064243 0.05641259 6.11418872 2.98167369 2.14279356 0.1353574 -16.32989592 -77.47735016 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.365E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.00004117 0.00009206 309-00-2 24860538 144209270 A A Aldrin ClC3=C(Cl)[C@]4(Cl)[C@@H]2[C@@H]1CC(C=C1)[C@@H]2C3(Cl)[C@@]4(Cl)Cl Tox21_202072 -NCGC00255504-01 196700409 tox21-ror-cho-viability-p1 set1 4 48.5577336745 -12.102098736 -0.5 -12.602098736 3.5117481694 0.4305225061 0.2438370634 0.89390937 -0.18880674 0.66519703 0.5403473 -0.22034984 0.07905018 -1.44744763 -1.36422302 3.88458061 -5.32450416 -2.34094004 -8.76627331 4.89848838 -5.37113506 -11.33508228 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7718-54-9 24385 144212492 Nickel(II) chloride Cl[Ni]Cl Tox21_302175 -NCGC00258679-01 196701877 tox21-ror-cho-viability-p1 set1 4 2.15807684 -1.25769208 5.0341858 -0.1431822 0.44781871 -0.8650435 2.77018498 -2.04436324 4.40953608 4.14119687 6.41506075 0.67918027 -2.34515433 0.19531502 7.33184502 1.2169999999E-9 2.7209999999E-9 6.084E-9 1.36E-8 3.042E-8 6.802E-8 1.521E-7 3.401E-7 7.604E-7 0.0000016999999999 0.0000038019999999 0.000008502 0.00001901 0.00004251 0.00009506 540-84-1 10907 144208325 FNS 2,2,4-Trimethylpentane CC(C)CC(C)(C)C Tox21_201127 -NCGC00258237-01 196701477 tox21-ror-cho-viability-p1 set1 4 0.0789195238 -7.196854748 -2.592630908 -9.789485656 0.7 0.4424299636 0.2331123175 -4.60366289 -2.51538851 -4.40119928 -0.49385909 -10.47061237 -0.57892916 -10.98453692 -6.81416089 -5.74309953 -12.32457138 -8.99287576 -10.18496952 -10.81804137 -9.02599801 -8.33623348 1.2049999999E-9 2.695E-9 6.0249999999E-9 1.347E-8 3.013E-8 6.737E-8 1.506E-7 3.368E-7 7.5319999999E-7 0.0000016839999999 0.000003766 0.000008421 0.000018829999999 0.0000421 0.00009415 607-35-2 11830 144207881 A A 8-Nitroquinoline [O-][N+](=O)c1cccc2cccnc12 Tox21_200683 -NCGC00258664-01 196701873 tox21-ror-cho-viability-p1 set1 4 5.9423398 1.55798415 2.33812557 -1.64542359 5.66939128 5.82378566 1.27599186 7.49215637 5.65437486 7.9749185 0.57638503 -0.88176887 10.31367326 2.7967638 4.82072583 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.484E-7 3.317E-7 7.4179999999E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.000041469999999 0.000092719999999 127-20-8 517058 144208310 A A Dalapon-sodium [Na+].CC(Cl)(Cl)C([O-])=O Tox21_201112 -NCGC00258299-01 196701874 tox21-ror-cho-viability-p1 set1 4 4.30800505 2.18689536 1.19261418 0.66936068 0.49610764 0.99678178 1.46530815 1.31893945 6.44729077 0.3941308 1.35629587 1.1500536 -0.35656707 0.81998048 8.28239931 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.9479999999E-8 6.591E-8 1.474E-7 3.296E-7 7.369E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 28553-12-0 590836 144207943 A Z Diisononyl phthalate CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C Tox21_200745 -NCGC00257674-01 196701878 tox21-ror-cho-viability-p1 set1 4 75.9425240336 18.6095857319 -2.6095857319 16 4.9549173134 0.5765336276 0.1149863653 -9.25798811 2.4724138 -1.80406896 -2.295839 -1.2310907 0.11827857 -5.35228367 1.15620105 -5.75400777 0.02534119 -2.14070603 -4.78711292 -3.83816015 -3.50621367 11.15425747 1.167E-9 2.61E-9 5.836E-9 1.305E-8 2.918E-8 6.525E-8 1.459E-7 3.2629999999E-7 7.295E-7 0.000001631 0.000003648 0.000008157 0.000018239999999 0.00004078 0.00009119 120-57-0 8438 144207318 A A Piperonal O=Cc1ccc2OCOc2c1 Tox21_200120 -NCGC00257657-01 196701880 tox21-ror-cho-viability-p1 set1 4 6.156598934 -18.01070222 -1 -19.01070222 0.5 0.713549691 0.0324229226 -0.38112329 -4.72253999 0.07772424 -0.62698635 2.26483758 -6.93612507 -3.8511343 -6.99811152 0.66394364 -11.44842846 -10.31185941 -6.7501131 -14.90274307 -13.46486199 -15.84225185 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.968E-8 6.6359999999E-8 1.484E-7 3.318E-7 7.4189999999E-7 0.000001659 0.0000037099999999 0.000008295 0.00001855 0.000041479999999 0.00009274 119-32-4 8390 144207301 A A 4-Methyl-3-nitroaniline O=[N+]([O-])c1cc(N)ccc1C Tox21_200103 -NCGC00258142-01 196702284 tox21-ror-cho-viability-p1 set1 4 0.55086203 2.12391494 2.26350503 4.79357996 1.7164488 -0.0588536 4.66911632 3.34682453 0.61382034 1.62512654 0.25613753 0.45651823 3.66881103 3.14521071 1.24721279 1.187E-9 2.6549999999E-9 5.936E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.3189999999E-7 7.42E-7 0.000001659 0.0000037099999999 0.0000082959999999 0.00001855 0.000041479999999 0.00009276 174501-64-5 2734174 144207786 A A 1-Butyl-3-methylimidazolium hexafluorophosphate CCCCn1cc[n+](C)c1.F[P-](F)(F)(F)(F)F Tox21_200588 -NCGC00258338-01 196702289 tox21-ror-cho-viability-p1 set1 4 4.1677569 0.74000706 1.82940708 4.64952018 0.68057035 1.80220207 -0.23280704 4.7180819 3.85945353 2.12069459 2.12303545 -0.28996095 7.79681024 4.38027933 5.5529257 1.203E-9 2.69E-9 6.0159999999E-9 1.345E-8 3.0079999999E-8 6.726E-8 1.504E-7 3.3629999999E-7 7.52E-7 0.0000016809999999 0.0000037599999999 0.000008407 0.0000188 0.00004204 0.000094 NOCAS_20326 517277 144207982 Chromic oxide pigment O=[Cr]O[Cr]=O Tox21_200784 -NCGC00258211-01 196702302 tox21-ror-cho-viability-p1 set1 4 -1.87427707 -1.67916411 4.0951952 -5.96817958 -5.1889872 5.31994817 -10.58487476 -13.80670031 -2.80465397 -4.33178617 -10.6729826 -8.30852671 -8.20351787 0.43261935 -7.49056284 1.14E-9 2.5489999999E-9 5.7E-9 1.2749999999E-8 2.85E-8 6.3729999999E-8 1.4249999999E-7 3.1869999999E-7 7.126E-7 0.0000015929999999 0.000003563 0.000007967 0.000017809999999 0.000039829999999 0.000089069999999 79-08-3 6227 144207855 A Bromoacetic acid BrCC(=O)O Tox21_200657 -NCGC00258330-01 196702309 tox21-ror-cho-viability-p1 set1 4 -2.40221926 1.71882482 -1.60032454 -1.56087945 4.47643783 1.55688636 -0.67095093 0.10042472 -0.70758949 1.96261532 -1.18138409 3.41428975 1.85349104 2.29716042 -1.77333196 1.1919999999E-9 2.6649999999E-9 5.959E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.331E-7 7.449E-7 0.0000016659999999 0.000003725 0.0000083279999999 0.00001862 0.00004164 0.00009312 99-12-7 7426 144207974 A A 1,3-Dimethyl-5-nitrobenzene Cc1cc(C)cc(c1)[N+](=O)[O-] Tox21_200776 -NCGC00258162-01 196702705 tox21-ror-cho-viability-p1 set1 4 1.9389567 3.34207452 1.62056292 2.02830213 -0.08510595 -2.60693398 5.57050478 6.86682705 9.39938522 -0.14871908 5.0208086 4.71663169 6.46637992 5.30392144 0.99869117 1.188E-9 2.6549999999E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.639E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001856 0.00004149 0.00009278 475575-45-2 2734241 144207806 A A 1-Butyl-2,3-dimethylimidazolium bromide [Br-].CCCCn1cc[n+](C)c1C Tox21_200608 -NCGC00258172-01 196702713 tox21-ror-cho-viability-p1 set1 4 24.9813997746 14.9534754039 -1.9534754039 13 4.0949729863 0.8248560002 0.0045377052 -1.45374276 0.74955806 -3.08736867 -0.85836227 1.60627804 -7.87789617 -3.50997719 -2.43327906 -0.57694944 -0.0418502 -4.71527279 -1.09542347 1.84786196 11.22561427 13.22482434 1.206E-9 2.697E-9 6.0309999999E-9 1.349E-8 3.016E-8 6.743E-8 1.5079999999E-7 3.372E-7 7.539E-7 0.0000016859999999 0.00000377 0.000008429 0.00001885 0.000042149999999 0.000094239999999 110-13-4 8035 144207816 A A 2,5-Hexanedione CC(=O)CCC(C)=O Tox21_200618 -NCGC00162247-06 196697757 tox21-ror-cho-viability-p1 set1 4 -5.67489417 -0.28329688 -0.11520175 -1.07278926 -0.73501706 -2.94200356 -3.53911501 -0.14634677 -5.35508151 -2.25486095 -0.83800485 1.82500166 1.8529441 -2.86595387 -0.43521607 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 152-02-3 5359371 170465778 A Levallorphan Oc3ccc4C[C@H]1N(CC[C@@]2(CCCC[C@@H]12)c4c3)CC=C Tox21_112005_1 -NCGC00260543-01 196724922 tox21-ror-cho-viability-p1 set3 4 0.19031222 -8.14083882 2.43526494 3.53656743 6.99433447 -0.70945676 -2.1787201 -1.9965881 -2.39820666 -0.51151087 -2.07007138 -1.13323772 2.74354589 -1.54207546 1.32435941 6.494E-11 1.452E-10 3.247E-10 7.261E-10 1.624E-9 3.6299999999E-9 8.118E-9 1.8149999999E-8 4.059E-8 9.0759999999E-8 2.029E-7 4.5379999999E-7 0.0000010149999999 0.000002269 0.0000050739999999 3386-33-2 18815 144210196 F Fns Octadecyl chloride CCCCCCCCCCCCCCCCCCCl Tox21_202998 -NCGC00357283-01 196724912 tox21-ror-cho-viability-p1 set3 4 54.4826732819 -19.0504557559 -1.5 -20.5504557559 2.7202212143 0.6792267816 0.0483006884 -3.02037524 -1.61351352 -2.53387843 -7.18042394 -3.00725914 -0.46006102 -4.5247442 -1.80336966 -0.66592245 -1.67501094 5.70198821 -2.42056609 0.14260939 -8.35467509 -16.70871313 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4719-04-4 104556 251919683 Fns 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanol OCCN1CN(CN(C1)CCO)CCO Tox21_303727 -NCGC00357098-01 196724915 tox21-ror-cho-viability-p1 set3 4 -2.44847913 1.38237241 0.44478762 -3.41197101 1.68191543 -5.97334348 1.86272082 0.13905415 2.17876098 1.13650224 1.50527993 0.85817224 -0.27944185 -0.07984533 4.55737351 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 150-19-6 9007 251919658 A 3-Methoxyphenol Oc1cccc(OC)c1 Tox21_303820 -NCGC00260219-01 196724917 tox21-ror-cho-viability-p1 set3 4 0.85561124 1.16527493 2.29244626 6.01390931 0.0572338 6.92050908 -3.07048922 5.25223187 4.91214749 4.0979718 5.60954984 1.87488943 5.68798755 2.30714184 3.2767968 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.397E-7 0.0000016539999999 0.0000036989999999 0.0000082699999999 0.000018489999999 0.00004135 0.00009247 17874-63-4 60196387 144209869 A A 1-Methyl-1-propylpiperidinium iodide [I-].CCC[N+]1(C)CCCCC1 Tox21_202671 -NCGC00260590-01 196724925 tox21-ror-cho-viability-p1 set3 4 21.1316824289 17.485474644 -1.485474644 16 0.3 0.4306837048 0.2434132744 -7.07122887 2.57994553 2.72347449 -0.00252319 -0.8586261 5.96249788 2.38487719 -4.39961118 -0.08939614 5.54008222 5.92577928 6.71003194 4.60522113 3.29055554 12.13210582 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49486 144210243 M M NTP Mix34 CT1 1-EQP Tox21_203045 -NCGC00015014-11 196725326 tox21-ror-cho-viability-p1 set3 4 1.77968614 2.21230651 -1.49741442 -1.01974354 -1.57658383 -1.36762027 2.6334697 1.59445676 2.76474328 0.83783801 5.93748596 1.43726242 1.54865905 3.39473116 2.75669393 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 968-81-0 1989 170465411 A Acetohexamide O=C(NC1CCCCC1)NS(=O)(=O)c2ccc(cc2)C(C)=O Tox21_110067_1 -NCGC00164530-03 196725341 tox21-ror-cho-viability-p1 set3 4 -0.26200341 0.24584406 0.31756591 -1.34361222 -2.81408781 -0.4484765 -3.22664822 -0.76781866 -1.03498761 -1.20211989 -0.79385196 -1.27549812 0.15183738 -0.18089202 -5.63916306 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58473-74-8 688145 170466115 A Cinromide Brc1cc(/C=C/C(=O)NCC)ccc1 Tox21_112161_1 -NCGC00090721-03 196725343 tox21-ror-cho-viability-p1 set3 4 0.0968854161 6.349766592 1.150233408 7.5 3.5117481694 0.4716596723 0.2052602869 1.31475763 3.69000538 5.26944395 -1.54147216 1.62416874 -1.07267385 9.48084823 14.98058607 4.66121058 9.42914309 6.69819011 5.2355445 5.43094151 5.38163943 8.37053035 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00270540-02 196725737 tox21-ror-cho-viability-p1 set3 4 2.69603169 6.86327788 5.52575394 6.66022256 5.07048652 -0.34200263 -2.14355816 7.97765902 -3.82632765 4.57566044 -0.58336894 0.72452099 2.8413905 -1.25625621 8.26660236 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72432-03-2 441314 170465326 Z Miglitol OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO Tox21_111436_1 -NCGC00183843-01 196725744 tox21-ror-cho-viability-p1 set3 4 -1.1259324 -4.21152248 3.23546056 3.02137083 -0.89073041 -0.37411244 0.04090828 -2.83075603 -5.53415175 -3.85971463 -2.41104158 -0.58387676 -2.92951142 -0.23870786 0.87713072 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57574-09-1 34870 144206864 A A Amineptine O=C(O)CCCCCCNC2c3ccccc3CCc1ccccc12 Tox21_113313 -NCGC00255275-01 196710687 tox21-ror-cho-viability-p1 set2 4 1.12257333 -1.65637615 -0.30890794 3.8742102 1.65487897 -1.12925229 2.5459942 0.21683909 3.36970391 0.43506178 3.55603525 1.99401696 3.22459918 -0.17576592 3.19330328 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25451-15-4 3331 144212685 A A Felbamate NC(=O)OCC(COC(N)=O)c1ccccc1 Tox21_302368 -NCGC00256264-01 196710267 tox21-ror-cho-viability-p1 set2 4 2.04509843 0.05690134 -0.10030823 -0.08252026 -0.0835745 -0.15317638 1.22159766 0.06464687 -0.72029397 -0.78792907 0.01087837 0.31099536 1.03622202 1.29538315 0.93778854 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51410-72-1 106428 144212528 A A N,N,N-Trimethyl-3-[(2-methylacryloyl)amino]propan-1-aminium chloride [Cl-].C[N+](C)(C)CCCNC(=O)C(=C)C Tox21_302211 -NCGC00091284-03 196710281 tox21-ror-cho-viability-p1 set2 4 -5.22076219 -1.04874026 -3.49665565 -0.50627043 -1.35443276 -10.12596223 -4.26126609 -8.26224822 -4.68993057 -2.83630192 0.26460402 -0.93763895 1.05302908 -5.08783882 -0.96194863 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00255405-01 196710286 tox21-ror-cho-viability-p1 set2 4 3.41202357 0.15854106 -8.71465091 0.88927489 2.00451253 0.76016718 0.17173297 -0.54898624 1.10616698 4.58501486 0.87891152 1.64048474 -0.70155047 1.72331722 3.73512448 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2052-15-5 16331 144212031 A A Butyl 4-oxopentanoate O=C(CCC(C)=O)OCCCC Tox21_301714 -NCGC00255366-01 196710692 tox21-ror-cho-viability-p1 set2 4 -6.36437362 -2.53548365 1.77160711 -2.3814813 -1.56025545 -1.68351436 2.5545245 -1.49848229 -3.83030006 -1.69873016 0.30059192 -0.1802344 -6.42411649 -2.87776345 -3.25746737 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1118-92-9 14240 144212247 A A N,N-Dimethyloctanamide CN(C)C(=O)CCCCCCC Tox21_301930 -NCGC00255938-01 196710695 tox21-ror-cho-viability-p1 set2 4 54.4826732819 -11.245722948 0.5 -10.745722948 2.4063783767 0.6288843721 0.0787265138 6.12233829 0.19531255 0.41777506 0.59687043 1.32178566 -0.80237231 1.21693359 -0.25333932 -3.00988367 -0.05015517 0.82892223 0.4056566 0.07481144 -3.47272442 -8.12143579 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60207-93-4 91673 144211885 A A Etaconazole Clc1ccc(c(Cl)c1)C3(Cn2ncnc2)OCC(CC)O3 Tox21_301568 -NCGC00256005-01 196710706 tox21-ror-cho-viability-p1 set2 4 -0.98166162 -0.61135466 -0.7786862 -2.49379306 -1.85573 -1.13129762 1.87048755 -3.42869454 0.95107169 -3.66887626 -0.9544161 -0.96562429 -1.0010774 1.46520388 1.27551575 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 34487-61-1 23686673 144212448 A I Phenol Red sodium salt [Na+].Oc1ccc(cc1)C3(OS(=O)(=O)c2ccccc23)c4ccc([O-])cc4 Tox21_302131 -NCGC00256056-01 196711104 tox21-ror-cho-viability-p1 set2 4 -2.7138407 -1.84612406 -1.70803057 -5.15335278 -0.10073042 -2.6198893 1.98164166 -0.89075722 -1.17583198 -0.65530622 -3.54835024 -4.09503246 1.18346438 1.52936198 -1.80221839 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2628-16-2 75821 144211934 A D 4-Ethenylphenyl acetate O=C(C)Oc1ccc(cc1)C=C Tox21_301617 -NCGC00255351-01 196711112 tox21-ror-cho-viability-p1 set2 -2.2 27.3060203028 -54.5279849419 -1.449329478 -55.9773144199 1.0999999999 0.9556127396 0.0000043692 1.95509082 -4.83091406 0.16509612 -2.9404398 -8.62683871 0.12309763 2.01219943 -0.04808001 -3.1066214 -2.1633955 -6.47419544 -14.44584829 -22.98590068 -31.09395092 -47.48109535 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 61-73-4 6099 144212404 A A Methylene blue [Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C Tox21_302087 -NCGC00259202-01 196709468 tox21-ror-cho-viability-p1 set2 -1.1 9.9353794054 -85.2690864356 0.817122675 -84.4519637606 2.1876167061 0.998379277 0 1.37096209 -0.03697916 1.48926105 0.31672171 -1.23518932 0.37286427 0.77641532 3.04706317 0.70958977 0.30439652 -10.72716624 -32.84379992 -68.81360233 -79.78181757 -83.78171008 1.2049999999E-9 2.695E-9 6.0249999999E-9 1.347E-8 3.013E-8 6.737E-8 1.506E-7 3.368E-7 7.5319999999E-7 0.0000016839999999 0.000003766 0.000008421 0.000018829999999 0.0000421 0.00009415 34590-94-8 22833331 144208851 A F Dipropylene glycol monomethyl ether COCCCOC(O)CC Tox21_201653 -NCGC00259656-01 196709055 tox21-ror-cho-viability-p1 set2 4 -2.99320968 -0.8092323 -1.6839229 -4.13609999 -1.06806246 0.73589084 0.18823222 -1.12784683 0.83765514 -1.22312761 -0.0363321 0.39398544 -0.10558614 -0.36102432 -0.99253358 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018399999999 0.00004115 0.000092019999999 51-17-2 5798 144209305 A A Benzimidazole c1cccc2ncnc12 Tox21_202107 -NCGC00259126-01 196709056 tox21-ror-cho-viability-p1 set2 4 69.5673070586 -18.455459568 -2 -20.455459568 1.21 0.6561189223 0.0610688635 -0.20351337 -1.4432777 -5.01588182 -7.59723359 -0.85710098 -3.02537071 0.19839862 -2.74145483 -0.22882901 1.48262382 -2.36304148 -3.50363649 -6.79219033 -5.6295539 -15.37954964 1.194E-9 2.6689999999E-9 5.968E-9 1.3339999999E-8 2.9839999999E-8 6.672E-8 1.4919999999E-7 3.3359999999E-7 7.4599999999E-7 0.000001668 0.00000373 0.00000834 0.00001865 0.0000417 0.000093249999999 108-98-5 7969 144208775 A A Benzenethiol Sc1ccccc1 Tox21_201577 -NCGC00259640-01 196709462 tox21-ror-cho-viability-p1 set2 4 -0.65593411 -1.23177154 -2.99158285 -1.75854564 1.73818983 -0.49127207 0.22115809 -0.81104957 -2.72092349 -0.81683225 0.63093491 0.62659349 -0.7685082 -1.69132888 1.89645749 1.146E-9 2.563E-9 5.732E-9 1.282E-8 2.866E-8 6.4079999999E-8 1.433E-7 3.204E-7 7.165E-7 0.000001602 0.0000035819999999 0.00000801 0.00001791 0.00004005 0.00008956 91-59-8 7057 144209289 A A 2-Naphthylamine Nc1ccc2ccccc2c1 Tox21_202091 -NCGC00259417-01 196708466 tox21-ror-cho-viability-p1 set2 -2.1 54.2611240406 -69.258164969 -0.009875335 -69.268040304 3.9294729863 0.974468787 1.936E-7 3.53205615 -1.37897955 -1.63849153 -0.04661556 -2.08070468 2.96505343 -2.82398929 2.4168885 -2.85555078 -4.44842354 3.28051912 -1.76288172 2.10340594 -17.00550533 -61.5666972 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.315E-8 2.9389999999E-8 6.573E-8 1.4699999999E-7 3.2859999999E-7 7.3489999999E-7 0.000001643 0.000003674 0.0000082159999999 0.00001837 0.00004108 0.000091859999999 434-13-9 9903 144209066 A A Lithocholic acid O=C(O)CC[C@@H](C)[C@H]4CC[C@@H]3[C@]4(C)CC[C@H]1[C@H]3CC[C@@H]2C[C@H](O)CC[C@]12C Tox21_201868 -NCGC00259344-01 196708865 tox21-ror-cho-viability-p1 set2 4 3.29239934 2.30018741 1.55362975 3.79527489 3.84444585 3.7077843 4.21888824 0.93561146 3.35576043 2.85445984 3.50852944 5.04907753 5.73395818 2.77773673 2.27916587 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 76-25-5 6436 144208993 A A Triamcinolone acetonide OCC(=O)[C@@]54OC(C)(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_201795 -NCGC00259275-01 196708879 tox21-ror-cho-viability-p1 set2 4 2.48042425 0.4875572 7.25076149 4.4162547 4.89184996 2.1074548 1.43886601 2.74926325 1.40675428 1.77906401 2.28159307 4.46064049 3.43120649 1.88492487 3.25324162 1.177E-9 2.631E-9 5.883E-9 1.316E-8 2.942E-8 6.578E-8 1.471E-7 3.289E-7 7.354E-7 0.0000016439999999 0.0000036769999999 0.0000082219999999 0.00001839 0.00004111 0.00009193 107-04-0 7849 144208924 AC Ac 1-Chloro-2-bromoethane BrCCCl Tox21_201726 -NCGC00258810-01 196708882 tox21-ror-cho-viability-p1 set2 4 0.01368953 4.12675131 3.58732594 -3.26782223 -0.5118785 -1.498973 -0.28441444 0.26937017 0.87404755 0.58825399 -1.30977452 0.3324882 1.22024565 -0.93804032 -5.18546112 1.177E-9 2.6319999999E-9 5.884E-9 1.316E-8 2.942E-8 6.579E-8 1.471E-7 3.29E-7 7.356E-7 0.000001645 0.0000036779999999 0.000008224 0.00001839 0.000041119999999 0.000091939999999 62-23-7 6108 144208456 A A 4-Nitrobenzoic acid O=[N+]([O-])c1ccc(cc1)C(=O)O Tox21_201258 -NCGC00259940-01 196708883 tox21-ror-cho-viability-p1 set2 4 -0.85938489 -0.84466757 0.30804008 1.86191102 3.04494615 1.34378863 2.00670202 -0.83660554 1.76894416 1.66635871 4.46313859 3.48878599 4.58755446 5.3193086 0.42020817 1.206E-9 2.6979999999E-9 6.032E-9 1.349E-8 3.016E-8 6.744E-8 1.5079999999E-7 3.372E-7 7.54E-7 0.0000016859999999 0.00000377 0.0000084299999999 0.00001885 0.000042149999999 0.00009425 99-75-2 7455 144209589 A A Methyl 4-methylbenzoate COC(=O)c1ccc(C)cc1 Tox21_202391 -NCGC00259835-01 196709288 tox21-ror-cho-viability-p1 set2 -2.1 43.0571658618 -78.8372048658 0.9496603419 -77.8875445239 1.713743691 0.9909172307 5E-10 0.1358535 0.90673722 -1.13643352 0.98091421 3.63685189 -1.83867928 3.84616588 2.534528 -0.51149845 -0.14815666 -1.59033998 -1.24848699 -14.32338181 -35.92451089 -61.6572307 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.938E-8 6.568E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.000041049999999 0.0000918 121-79-9 4947 144209484 A A Propyl gallate Oc1cc(cc(O)c1O)C(=O)OCCC Tox21_202286 -NCGC00259791-01 196709291 tox21-ror-cho-viability-p1 set2 -2.1 44.5565504946 -107.0418987959 -0.5373938439 -107.5792926398 2.2526478767 0.9654990095 0.0000010692 -0.97161475 -1.44268237 -3.37715354 -16.73499626 1.14019108 3.8949481 1.2814003 1.85371664 1.27500044 1.10729957 1.13343154 0.06657441 -15.77322519 -49.42735158 -91.47899034 1.2089999999E-9 2.702E-9 6.0429999999E-9 1.3509999999E-8 3.021E-8 6.7559999999E-8 1.511E-7 3.3779999999E-7 7.5539999999E-7 0.000001689 0.000003777 0.000008445 0.00001888 0.000042229999999 0.00009442 110-85-0 4837 144209440 A Piperazine C1CNCCN1 Tox21_202242 -NCGC00259988-01 196709697 tox21-ror-cho-viability-p1 set2 4 2.59644844 0.4585557 -2.94202289 -1.20961611 0.00522571 -0.39266616 -0.17861277 -0.36502225 -0.39338552 -0.16255742 -0.90878873 4.50867 0.72368265 3.9034222 3.60179854 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.96E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 94-59-7 5144 144209637 A A Safrole C=CCc1ccc2OCOc2c1 Tox21_202439 -NCGC00259433-01 196709695 tox21-ror-cho-viability-p1 set2 4 -1.83635761 0.91375645 -0.11158644 0.52237979 1.27597132 -1.52124117 -0.97589393 -1.81440553 -0.6209168 -1.56389277 -1.55749948 -0.87037656 -2.80156042 -0.6859579 -1.78915524 1.204E-9 2.692E-9 6.02E-9 1.346E-8 3.01E-8 6.7309999999E-8 1.5049999999E-7 3.365E-7 7.5249999999E-7 0.000001683 0.000003763 0.000008413 0.000018809999999 0.000042069999999 0.00009406 135-19-3 8663 144209082 A A 2-Naphthalenol Oc1ccc2ccccc2c1 Tox21_201884 -NCGC00258980-01 196709699 tox21-ror-cho-viability-p1 set2 -2.2 22.0875823492 -72.1310768579 2.0428411939 -70.088235664 1.221561 0.9851954206 8.3E-9 5.74805834 1.89954411 2.5850873 0.85357263 3.52467851 1.358263 -0.14325316 1.16411398 0.61434045 -5.84391016 -8.10244949 -9.75058838 -30.05634801 -49.09712216 -58.82352972 1.198E-9 2.6779999999E-9 5.988E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.485E-7 0.0000016739999999 0.000003742 0.000008368 0.00001871 0.00004184 0.000093559999999 97-23-4 3037 144208627 A A Dichlorophen Oc2ccc(Cl)cc2Cc1cc(Cl)ccc1O Tox21_201429 -NCGC00256600-01 196707226 tox21-ror-cho-viability-p1 set1 4 -3.82353213 7.13855016 -0.78145281 2.88975681 -5.54351714 3.46683303 -0.48089953 -0.31673719 0.06478711 -4.37617947 -0.84213929 -0.68420135 -1.20999322 4.06413365 -1.84899752 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 536-33-4 2761171 144213086 A A Ethionamide CCc1cc(ccn1)C(N)=S Tox21_302769 -NCGC00259756-01 196706818 tox21-ror-cho-viability-p1 set1 4 1.1292152795 -8.4663735159 -1.5 -9.9663735159 3.1319983358 0.7118791057 0.041387319 -0.37387484 -0.36742574 -4.30492511 -4.68867826 -3.0222498 2.63143842 -0.82980684 -0.65124788 -2.39343392 -8.68994175 -14.97197793 -9.15180026 -6.84334049 -8.21452963 0.4874025 1.218E-9 2.7239999999E-9 6.092E-9 1.3619999999E-8 3.046E-8 6.811E-8 1.5229999999E-7 3.405E-7 7.6139999999E-7 0.000001703 0.0000038069999999 0.000008513 0.000019039999999 0.00004257 0.00009518 590-17-0 11534 144209405 B A Bromoacetonitrile BrCC#N Tox21_202207 -NCGC00259752-01 196706822 tox21-ror-cho-viability-p1 set1 4 -10.07888363 0.99545629 -4.07513347 -0.00839298 -2.11699374 -8.58150521 -4.8271947 -7.68981662 -1.25224972 -12.95911903 -11.0172284 -1.85219383 -3.37970683 0.47780902 -2.12776819 1.208E-9 2.7E-9 6.038E-9 1.3499999999E-8 3.019E-8 6.75E-8 1.509E-7 3.375E-7 7.547E-7 0.0000016879999999 0.0000037739999999 0.000008438 0.00001887 0.000042189999999 0.00009434 30516-87-1 35370 144209401 A A 3'-Azido-3'-deoxythymidine CC1=CN(C(=O)NC1=O)[C@H]2C[C@H](\N=[N+]=[N-])[C@@H](CO)O2 Tox21_202203 -NCGC00356958-01 196724636 tox21-ror-cho-viability-p1 set3 4 -9.68897344 1.61262669 -6.68263088 -5.79181139 -2.01630353 2.91730136 -7.6694563 -2.04552443 0.47023785 -4.03063818 6.83994314 1.46589107 -1.28130774 -11.70986473 -5.91446205 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17420-30-3 28532 251919744 A 2-Amino-5-nitrobenzonitrile N#Cc1cc(ccc1N)[N+]([O-])=O Tox21_304032 -NCGC00260152-01 196724617 tox21-ror-cho-viability-p1 set3 4 -10.48740836 -2.93327888 -0.73163752 -5.41530205 -1.00118851 -5.60658869 1.53825557 0.15915508 0.83439555 -5.63365226 2.74677978 -1.56215299 -7.19586264 1.94895272 0.50805088 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.00001842 0.0000412 0.00009212 129453-61-8 104741 144209802 F A Fulvestrant FC(F)(F)C(F)(F)CCCS(=O)CCCCCCCCC[C@@H]2Cc1cc(O)ccc1[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@H]23 Tox21_202604 -NCGC00260451-01 196724628 tox21-ror-cho-viability-p1 set3 4 1.26750401 0.41937461 -12.0527001 -13.59586619 1.2723825 -4.67730417 -5.61010582 2.82245209 -0.35040257 -3.76584455 -3.64706249 4.18678453 -4.88244155 -9.13363383 -3.98419126 1.204E-9 2.692E-9 6.02E-9 1.346E-8 3.01E-8 6.73E-8 1.5049999999E-7 3.365E-7 7.5249999999E-7 0.000001683 0.0000037619999999 0.000008413 0.000018809999999 0.00004206 0.00009406 96568-04-6 2733708 144210103 F F Ethyl 4-(2,6-dichloro-5-fluoropyridin-3-yl)-3-oxobutanoate Fc1cc(C(=O)CC(=O)OCC)c(Cl)nc1Cl Tox21_202905 -NCGC00260068-01 196724631 tox21-ror-cho-viability-p1 set3 4 -5.96987299 6.06946202 2.45515794 0.66430762 11.15474788 4.91732473 10.79122486 10.32166047 1.09505109 2.69002039 0.61136988 3.08263664 -4.46349344 0.70981865 6.72422667 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003707 0.0000082899999999 0.00001854 0.00004145 0.00009268 80-13-7 3552 144209717 F Halazone O=S(=O)(N(Cl)Cl)c1ccc(cc1)C(=O)O Tox21_202519 -NCGC00260055-01 196724641 tox21-ror-cho-viability-p1 set3 4 28.6442885653 12.0964944799 -2.0964944799 10 1.6435888099 0.4467185828 0.2280883276 -4.98997506 -1.84362527 -2.09484363 -1.27361046 3.73444352 3.89021623 -7.1637454 -4.94747936 -6.72378987 4.37870118 -4.02891053 -1.14499103 3.52171367 3.71925358 9.77198841 1.2279999999E-9 2.7469999999E-9 6.142E-9 1.3729999999E-8 3.071E-8 6.8669999999E-8 1.535E-7 3.4329999999E-7 7.677E-7 0.000001717 0.000003839 0.0000085829999999 0.00001919 0.00004292 0.00009596 109-89-7 8021 144209704 Fns Diethylamine CCNCC Tox21_202506 -NCGC00160445-02 196725037 tox21-ror-cho-viability-p1 set3 4 0 0 -0.79985525 -0.97598138 -6.27245671 -2.16688673 0.56266837 -0.77567252 -5.11988921 -6.20486575 -1.25075406 3.10117073 -3.9388591 -5.37023256 -3.79353332 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 496-67-3 2447 170465828 A Bromisovalum CC(C)C(Br)C(=O)NC(N)=O Tox21_111815_1 -NCGC00159417-06 196725451 tox21-ror-cho-viability-p1 set3 -2.4 70.1970324498 -70.0764350862 -3.9661403909 -74.0425754771 1.0999999999 0.5689344802 0.1198734961 0 0 7.54308777 8.5685437 -13.72765272 -19.87373798 7.73105907 -13.34802023 5.95741809 -19.67572611 -20.11965886 -13.99613959 -2.74279816 -24.02789973 -56.09286021 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00164492-02 196725452 tox21-ror-cho-viability-p1 set3 4 29.8492948118 -23.7731826359 3.5 -20.2731826359 2.5884283767 0.8684989612 0.0012333625 3.51748483 5.01767116 0.96175879 2.07432118 2.9399326 1.83444918 2.38238521 5.54694357 7.64493631 1.70785688 2.85197917 5.50904657 0.54390361 -2.22613609 -14.81098553 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 515-64-0 5343 170465986 A Sulfisomidine Cc2cc(NS(=O)(=O)c1ccc(N)cc1)nc(C)n2 Tox21_112130_1 -NCGC00016740-18 196725459 tox21-ror-cho-viability-p1 set3 4 16.3534627896 -23.541333188 2 -21.541333188 4.9549173134 0.7213773219 0.0293176031 1.58741496 4.64130751 -0.3876643 0.90741917 -0.59483992 -0.79706616 8.15210199 -0.10018062 9.49079872 5.03923574 -0.10422428 0.34788305 0.28961268 -0.33304499 -17.95111099 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 19216-56-9 4893 170465415 A Prazosin O=C(N1CCN(CC1)c3nc2cc(OC)c(OC)cc2c(N)n3)c4ccco4 Tox21_113646_1 -NCGC00159358-03 196726369 tox21-ror-cho-viability-p1 set3 4 0.1059092946 8.3536318399 -0.8536318399 7.5 0.8999999999 0.4165996385 0.2564734442 -1.5446932 1.14734624 -1.32136994 -0.24191875 0.60873574 0.25481873 5.44890201 1.39139445 6.40974316 7.21743809 1.86985243 18.03835053 -0.42206194 9.4962777 6.94750937 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 146-22-5 4506 170465667 A Nitrazepam [O-][N+](=O)c1ccc2NC(=O)CN=C(c2c1)c3ccccc3 Tox21_111601_1 -NCGC00253722-01 196725550 tox21-ror-cho-viability-p1 set3 4 -0.69744049 -0.50631685 -1.37545916 -1.7820389 -3.46852158 2.39116887 2.00675035 -3.07642446 -2.17413533 -5.48181835 -0.32502609 -2.81170075 -4.89173369 -4.36912895 -1.96857629 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6928-85-4 81349 170466745 Z F 4-Methyl-1-piperazinamine CN1CCN(N)CC1 Tox21_113841 -NCGC00094689-06 196725948 tox21-ror-cho-viability-p1 set3 4 2.92087467 6.13694911 4.24577433 2.63424023 2.95152381 -1.10918589 0.32163655 5.39556258 -1.89478487 2.11267625 3.22988016 0.15216813 5.35145868 2.125062 5.52420181 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 93-14-1 3516 170464855 Ac Guaifenesin OCC(O)COc1ccccc1OC Tox21_110389_1 -NCGC00090708-05 196725950 tox21-ror-cho-viability-p1 set3 -1.2 8.6349217992 -52.141777502 -1.98269086 -54.124468362 2.4063783767 0.9835177173 1.55E-8 -0.3129174 -0.0785068 -0.69855541 -2.25015892 0.54499345 -1.20843876 -2.49286701 -0.95497253 -5.35080066 -7.07751998 -6.63683946 -25.85084472 -52.65775216 -48.56298041 -54.28191515 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00159451-06 196723495 tox21-ror-cho-viability-p1 set3 -2.4 14.9600854925 -26.897101632 1 -25.897101632 3.0654483358 0.9144437638 0.0001465116 0.04075249 1.67281105 -0.87711292 5.06366288 2.54717624 1.37617804 -0.05505007 2.08677322 -3.26984292 -0.40825535 6.76773368 -1.93968073 -2.67942284 -19.75003886 -24.91425136 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 24237-54-5 5480 170465864 C Tinoridine O=C(OCC)c1c2CCN(Cc2sc1N)Cc3ccccc3 Tox21_111678_1 -NCGC00090750-04 196723482 tox21-ror-cho-viability-p1 set3 4 61.8773215692 -18.362360832 -2 -20.362360832 0.7999999999 0.6254593036 0.0799305207 1.74352944 2.55240037 -1.87539458 -2.80616484 -1.77293209 -3.06883735 -8.09879145 -5.59999152 -2.34012309 -3.41423422 -0.41774806 -2.66912616 -7.53504376 -8.78206324 -15.30196736 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00090885-03 196723488 tox21-ror-cho-viability-p1 set3 4 10.6664072 1.53658402 4.02073018 16.87716415 3.92174802 1.49061462 2.29905695 4.02084592 4.57957715 11.55552645 15.85623325 6.91926853 8.39727747 5.25021605 0.65917713 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00015716-09 196723490 tox21-ror-cho-viability-p1 set3 4 0.2113168243 5.1036981839 -0.6036981839 4.5 4.9549173134 0.4706302327 0.2072354174 -1.94898991 -3.00308182 0.31635302 1.43734335 3.01831802 -1.74700564 -0.08190831 -0.73949006 6.71887545 4.28978499 6.04029205 1.6165465 0.75778429 1.82148882 9.22565468 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 447-41-6 4567 170465637 A Nylidrin OC(c1ccc(O)cc1)C(C)NC(C)CCc2ccccc2 Tox21_110204_1 -NCGC00259866-01 196723891 tox21-ror-cho-viability-p1 set3 -2.4 12.3461487878 -30.421985568 11 -19.421985568 2.3331733767 0.8390404266 0.0046645999 8.22086482 5.18436218 6.26153924 13.53376683 13.07482879 13.35873873 14.25325979 15.35547138 9.33778098 7.06091975 10.9529711 7.24880129 -17.85165464 -14.04586823 22.2750332 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-80-9 289 144209515 A A Catechol Oc1ccccc1O Tox21_202317 -NCGC00260160-01 196723889 tox21-ror-cho-viability-p1 set3 4 -0.15258588 4.57285087 5.81395179 14.73943296 9.95375467 14.16165583 13.39114115 16.75419721 6.20499596 4.73809343 16.03321167 1.17646628 8.28380621 2.27978306 4.96559606 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.3529999999E-7 0.0000016439999999 0.0000036769999999 0.000008221 0.000018379999999 0.00004111 0.00009192 2179-59-1 16591 144209810 Z Fc Allyl propyl disulfide CCCSSCC=C Tox21_202612 -NCGC00259810-01 196723901 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -26.9339729119 0.5 -26.4339729119 3.6772481694 0.5658737543 0.1226937672 8.16272485 5.48901842 8.37494988 -7.68598336 3.03646574 -4.16428805 5.81649328 -1.93135719 -1.36983981 -2.09727022 -1.48702227 -1.48151328 -1.7148154 -3.38817242 -19.52831076 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-56-3 7340 144209459 A A 2-Amino-5-azotoluene Cc2cc(/N=N/c1ccccc1C)ccc2N Tox21_202261 -NCGC00260310-01 196723908 tox21-ror-cho-viability-p1 set3 4 1.0515990156 -6.498219256 1.5 -4.998219256 4.9549173134 0.3301881065 0.3553208574 -7.08184938 2.81509461 5.99564118 4.17847169 -1.75023307 -4.91839767 5.71757495 4.03369313 3.35326851 1.98079944 -0.96248136 -5.84988976 -4.3839645 -4.18405383 5.76749953 2.996E-10 6.7E-10 1.498E-9 3.35E-9 7.491E-9 1.675E-8 3.746E-8 8.375E-8 1.873E-7 4.1879999999E-7 9.3639999999E-7 0.0000020939999999 0.000004682 0.00001047 0.000023409999999 52829-07-9 164282 144209961 F Bis(2,2,6,6-tetramethyl-4-piperidyl) sebacate CC2(C)CC(OC(=O)CCCCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1)CC(C)(C)N2 Tox21_202763 -NCGC00094532-06 196697735 tox21-ror-cho-viability-p1 set1 4 55.4259289229 -11.674928708 2 -9.674928708 1.92824246 0.637570229 0.0732325084 -0.28344886 4.58130769 3.43522958 2.70783541 3.79347412 -0.28990302 0.55419478 0.43259316 0.00730661 0.06989435 4.84096038 1.65834084 0.08427207 -1.96104038 -6.81244059 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00018107-05 196722679 tox21-ror-cho-viability-p1 set3 2.4 37.5780357627 42.7940787288 3.441379864 46.2354585928 0.8999999999 0.5485439169 0.1363870211 -0.33554138 0.45568218 3.69901365 0.91207824 16.08272676 -0.46551678 -0.10181345 3.39547324 16.43300481 10.32133714 11.00321756 4.97884144 5.39929993 13.6233372 36.99554764 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 147-93-3 5443 170465571 C 2-Thiosalicylic acid OC(=O)c1ccccc1S Tox21_113560_1 -NCGC00258867-01 196722252 tox21-ror-cho-viability-p1 set3 4 -13.1506016 -5.99873903 -5.09424153 3.24106833 -6.33483452 -15.09246976 -8.64097624 -13.0608577 -8.03641376 -6.05974714 -8.33762144 -7.53113066 -9.58794169 1.16095375 -1.99325466 1.188E-9 2.656E-9 5.9389999999E-9 1.3279999999E-8 2.969E-8 6.64E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.000003712 0.0000083 0.00001856 0.0000415 0.00009279 77-83-8 6501 144208513 F Ethyl methylphenylglycidate CCOC(=O)C2OC2(C)c1ccccc1 Tox21_201315 -NCGC00258907-01 196722268 tox21-ror-cho-viability-p1 set3 4 -0.72650502 6.14375947 0.91485664 -4.76968525 -7.49236225 1.33968969 1.89223353 0.99211278 4.416421 5.86580275 3.43073006 -1.77632024 -0.91493425 6.36614512 -0.55588386 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 54464-57-2 108242 144208553 A F 1-(2,3,8,8-Tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone CC(=O)C2(C)CC1=C(CCCC1(C)C)CC2C Tox21_201355 -NCGC00255107-01 196728654 tox21-ror-cho-viability-p1 set3 4 0 6.05624783 3.71779943 -4.00377383 -7.00200196 -4.45881818 4.73097014 4.73681244 -5.36273629 4.61288481 2.672472 -6.07812215 3.49796469 -6.35742208 -6.22221421 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2455-24-5 17151 144212032 A Fc Tetrahydrofurfuryl methacrylate O=C(OCC1CCCO1)C(=C)C Tox21_301715 -NCGC00255973-01 196728257 tox21-ror-cho-viability-p1 set3 4 2.1689942904 5.562842996 -1.562842996 4 4.9549173134 0.4223809901 0.269076555 0.32933352 2.93931764 0.90345183 -4.47224701 1.81901403 -0.59719517 -3.82603217 -7.96903583 -1.21670556 -1.17525052 6.90019544 4.01131923 4.65871409 1.25642276 -3.88009271 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1493-13-6 62406 144212500 A A Trifluoromethanesulfonic acid FC(F)(F)S(=O)(=O)O Tox21_302183 -NCGC00018221-08 196728258 tox21-ror-cho-viability-p1 set3 4 0.0778989325 10.5469530881 1.4530469119 12 3.9899729863 0.3849256348 0.302358762 0.45434634 -0.67530025 4.49037328 -1.70579424 5.29587081 2.97546232 20.98946315 10.70204277 15.5666156 2.36150685 9.93005681 26.51636084 8.98015947 2.22343629 -2.6590979 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00255818-01 196728655 tox21-ror-cho-viability-p1 set3 4 0.80265461 -5.79347706 -1.20250392 -7.1718429 -0.50016199 -0.85286165 3.22113272 -2.63721012 -4.72889912 1.21662379 1.87585426 -3.3405867 -0.1819113 -0.83454158 2.50913542 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1118-12-3 14233 144212398 A A (1,1-Dimethylethyl)urea CC(C)(C)NC(N)=O Tox21_302081 -NCGC00256070-01 196728664 tox21-ror-cho-viability-p1 set3 4 0 -1.90260492 -4.92891329 7.71003868 -3.01440944 -5.79128529 -5.89661598 7.56909303 -6.4416175 8.04811942 -4.34428966 -7.30694991 -2.52547358 -7.13157827 -3.53535602 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7560-83-0 24210 144211825 A Fns N-Cyclohexyl-N-methylcyclohexanamine CN(C1CCCCC1)C2CCCCC2 Tox21_301508 -NCGC00256095-01 196728665 tox21-ror-cho-viability-p1 set3 4 0 -0.50957045 0.15088799 -1.310108 -0.61611572 -0.39746304 4.35961387 3.56167995 3.07248266 0.53550305 -0.3309993 -2.59066007 -0.18839574 3.58979089 4.8841222 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23305-64-8 11355992 144211544 F B 2-[2-(2-Propoxyethoxy)ethoxy]ethanol OCCOCCOCCOCCC Tox21_301227 -NCGC00255802-01 196728670 tox21-ror-cho-viability-p1 set3 4 -4.21251377 0.10935232 0.10779295 -2.51173049 -1.59793998 -1.89241595 -4.07917956 -1.9057942 -0.76137155 -5.6377352 -1.72509811 -1.60985949 -3.2530741 0.01943061 3.80615527 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14814-09-6 84658 144212510 F F 3-(Triethoxysilyl)propane-1-thiol CCO[Si](OCC)(OCC)CCCS Tox21_302193 -NCGC00256987-01 196727480 tox21-ror-cho-viability-p1 set3 4 10.8707224818 -11.021807704 -0.5 -11.521807704 3.1319983358 0.8212250687 0.5311860563 -24.10425247 -0.31386501 -2.56978962 0 0 0 -1.095112 0 0 0 0 -1.24934415 -14.60150642 -8.9027931 -5.33288611 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-00-0 7361 144213410 Ac Furfuryl alcohol OCc1ccco1 Tox21_303093 -NCGC00256560-01 196726661 tox21-ror-cho-viability-p1 set3 4 4.8557733675 9.145917772 -4.145917772 5 4.9549173134 0.7663638914 0.0151040922 -5.25112402 -5.04834824 -3.22587504 -6.78826481 -6.54951218 -5.42899775 -3.65793187 -1.85950385 1.60884601 -3.94122118 -4.34525348 7.26156257 3.9465967 5.58165795 3.46497128 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76-25-5 6436 144213331 A A Triamcinolone acetonide OCC(=O)[C@@]54OC(C)(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_303014 -NCGC00257497-01 196726664 tox21-ror-cho-viability-p1 set3 4 5.4482673282 9.444049928 0.055950072 9.5 4.9549173134 0.5801490225 0.1119005951 6.58589494 1.0402909 1.72415734 -0.77326863 -0.23978848 -1.16439967 -3.70337494 -0.79778534 -1.7003209 1.26982051 -3.38958111 12.59801651 3.82828642 6.19087923 14.96148395 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 138472-01-2 6437875 144213910 D FR900409 CC(C(=C/C(=N\O)C(=O)N)/CC)[N+]([O-])=O Tox21_303605 -NCGC00256526-01 196727076 tox21-ror-cho-viability-p1 set3 4 38.5707788719 7.5741065679 -2.0741065679 5.5 1.0999999999 0.3210233243 0.3513781752 0.2659778 1.92976442 0.75445508 -2.84074753 -6.16116593 -3.48823836 -7.97842214 -0.49526682 -0.31704034 -2.05338995 -2.28101219 -0.60095475 0.8511924 1.31256735 3.6895438 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 529-20-4 10722 144213329 Z C 2-Tolualdehyde Cc1ccccc1C=O Tox21_303012 -NCGC00257365-01 196727485 tox21-ror-cho-viability-p1 set3 4 0.4601909 1.80247937 0.68483697 0.37386861 0.57124889 0.91485635 1.43289229 2.08901542 0.76046819 0.58817616 1.1513305 0.49811939 0.64896856 -0.27025003 3.4696828 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68515-48-0 590836 144213772 F F DINP branched CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C Tox21_303462 -NCGC00257253-01 196727489 tox21-ror-cho-viability-p1 set3 4 -1.84600615 -1.91560522 0.18665723 -2.14297506 1.38332889 0.22723745 3.04711047 -28.28493139 1.55463558 -26.52189899 -26.30214725 1.89435133 -0.98481792 1.21984329 -0.36251203 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 114651-37-5 163934 144213912 A A {4-[(Ethenyloxy)methyl]cyclohexyl}methanol OCC1CCC(COC=C)CC1 Tox21_303607 -NCGC00160676-02 196716674 tox21-ror-cho-viability-p1 set2 4 14.9600854925 -6.689516064 -0.5 -7.189516064 3.1319983358 0.4102315662 0.2649340215 -4.76742947 -2.44520348 -0.33925457 -3.23177069 -1.58028564 0.3440077 2.12949724 -0.22491256 3.02933886 -0.01577208 0.28321702 -1.73628432 2.30572385 -9.32459672 -5.08327401 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3563-01-7 71128 170466081 A Aprofene CC(C(=O)OCCN(CC)CC)(c1ccccc1)c2ccccc2 Tox21_111979_1 -NCGC00258433-01 196716267 tox21-ror-cho-viability-p1 set2 4 -5.27734439 1.8153071 -1.62410159 -5.50044953 -0.09180605 -3.90735567 -0.59975053 -1.36076856 -5.05455897 -2.17131966 -0.91854954 -0.96451201 -0.03909107 1.73010521 0.77796913 1.206E-9 2.6959999999E-9 6.029E-9 1.348E-8 3.014E-8 6.7409999999E-8 1.507E-7 3.37E-7 7.536E-7 0.000001685 0.0000037679999999 0.000008426 0.00001884 0.00004213 0.0000942 6294-89-9 80519 144208077 A Ac Methyl carbazate NNC(=O)OC Tox21_200879 -NCGC00258312-01 196716270 tox21-ror-cho-viability-p1 set2 2.1 23.7930584398 84.7134361249 -0.6164198619 84.097016263 4.9549173134 0.9401938615 0.0000501026 0.65304869 1.63491724 -0.80810532 1.31542547 2.5837839 1.24525991 1.874717 -1.23189967 2.11257553 1.85580782 -0.62959184 -18.79535197 17.74300724 80.58467305 40.95840954 1.158E-9 2.5899999999E-9 5.792E-9 1.2949999999E-8 2.896E-8 6.475E-8 1.448E-7 3.238E-7 7.24E-7 0.0000016189999999 0.00000362 0.0000080939999999 0.0000181 0.00004047 0.000090499999999 72559-06-9 6323490 144207956 A A Rifabutin CC(C)CN1CCC3(CC1)NC4=C2NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)C=CO[C@@]6(C)Oc5c(C)c(O)c(C2=O)c(C4=N3)c5C6=O Tox21_200758 -NCGC00257997-01 196716670 tox21-ror-cho-viability-p1 set2 4 0.5416027 0.88708904 3.09176507 1.0560174 6.15494431 0.93044268 2.14375101 -1.11302684 -0.9448541 -0.10178952 -0.50362824 -10.11467863 0.58553896 0.84125224 0.8261382 1.211E-9 2.709E-9 6.056E-9 1.3539999999E-8 3.028E-8 6.771E-8 1.514E-7 3.386E-7 7.5709999999E-7 0.000001693 0.0000037849999999 0.000008464 0.00001893 0.00004232 0.00009463 144-19-4 8946 144207641 A A 2,2,4-Trimethyl-1,3-pentanediol CC(C)(CO)C(O)C(C)C Tox21_200443 -NCGC00016743-08 196716687 tox21-ror-cho-viability-p1 set2 4 -6.16360926 -6.48584012 -8.809764 -8.81867883 -1.08262481 -9.42266292 -1.35770097 -4.53337184 -8.26870631 -4.89422103 -5.28143608 -3.67168579 -5.8935344 -4.23022836 -1.6693842 1.1799999999E-10 2.638E-10 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 19562-30-2 4855 170466042 A Piromidic acid O=C(O)C2=CN(CC)c1nc(ncc1C2=O)N3CCCC3 Tox21_110587_1 -NCGC00015859-14 196717080 tox21-ror-cho-viability-p1 set2 4 -0.90923702 -0.63680209 2.71856976 2.17342877 3.70041113 3.78744261 3.33556835 4.73892831 3.66381574 3.17146456 0.42438725 -1.77253302 -1.6260196 2.85062823 3.74113907 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-06-9 4913 170464952 I Procainamide O=C(NCCN(CC)CC)c1ccc(N)cc1 Tox21_110246_1 -NCGC00254675-01 196715027 tox21-ror-cho-viability-p1 set2 -2.1 15.3553036427 -86.4928306491 0.0078957139 -86.4849349352 1.0999999999 0.9850970184 3.72E-8 -1.42091635 -1.63583312 0.67009248 3.644577 -0.46921914 0.31489315 0.99078486 0.86886696 -3.03475967 -12.78866317 -15.36851639 -24.5191972 -47.0096068 -66.27646586 -0.08884059 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10325-94-7 11402127 144211088 Cadmium dinitrate [O-][N+](=O)O[Cd]O[N+]([O-])=O Tox21_300771 -NCGC00253995-01 196714610 tox21-ror-cho-viability-p1 set2 4 -5.52357366 -7.18348637 -2.45842242 -4.40670642 -0.87334589 -5.05359708 -2.37322478 -4.12267671 -4.344022 -6.87016059 -5.43612858 -4.34548427 -5.65232195 2.00288655 -2.39496797 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-00-5 7474 144210353 A Ac 1-Chloro-4-nitrobenzene O=[N+]([O-])c1ccc(Cl)cc1 Tox21_300033 -NCGC00253951-01 196714621 tox21-ror-cho-viability-p1 set2 4 -6.87267528 -7.06339882 3.94438987 -1.90559945 -10.82829275 -0.42442611 -11.17219154 -0.13179555 -9.34405785 -2.88439974 -3.81711107 -0.16117767 -4.7006248 1.39065471 -13.643821 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 309-00-2 24860538 144210492 A A Aldrin ClC3=C(Cl)[C@]4(Cl)[C@@H]2[C@@H]1CC(C=C1)[C@@H]2C3(Cl)[C@@]4(Cl)Cl Tox21_300172 -NCGC00253963-01 196714623 tox21-ror-cho-viability-p1 set2 4 15.3553036427 7.2795311159 -3.7795311159 3.5 0.9099999999 0.442825944 0.2344007148 -0.35385012 -4.2225802 -1.89448604 -3.14842397 -1.46667111 -4.35603353 -5.43361377 -9.81627593 -2.95415824 -2.02156642 -0.75509192 -0.72102285 -0.17858744 -0.17038731 3.31878534 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-96-6 8150 144210397 F Bis(2-methoxyethyl) ether COCCOCCOC Tox21_300077 -NCGC00253949-01 196715030 tox21-ror-cho-viability-p1 set2 -2.1 68.5896218971 -83.2334986181 -6.916010031 -90.1495086491 1.0999999999 0.8369286581 0.0032794468 -0.04201991 0.865018 -6.75848823 -6.86531908 -8.43819808 -10.93980668 -16.47740578 -9.11990809 -8.71303014 -13.7075757 -8.92770657 -17.94005475 -15.71975027 -25.9546148 -68.29508231 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 155990-20-8 9909677 144210553 A A SR271425 CCN(CC)CCNc1ccc(CNC=O)c2Sc3ccc(OC)cc3C(=O)c12 Tox21_300233 -NCGC00253975-01 196715035 tox21-ror-cho-viability-p1 set2 4 -2.15653253 -3.37761999 -0.17381091 -4.95934848 -2.30761935 -2.59060551 0.84173748 -3.00211419 -3.83112905 -5.55612247 -2.37614331 2.23285582 2.74721358 -3.10893448 -0.43045186 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 56-81-5 753 144210464 A Glycerol OCC(O)CO Tox21_300144 -NCGC00255577-01 196700995 tox21-ror-cho-viability-p1 set1 4 1.51131787 -0.60947864 0.43152639 0.86644785 -0.20664362 0.98409847 0.03603362 1.8505636 2.0908311 7.91246503 1.90796862 0.85136843 0.61466067 1.84609022 1.98738877 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-73-8 7254 144212440 Z Fns 2,4-Dichlorotoluene Clc1cc(Cl)c(C)cc1 Tox21_302123 -NCGC00255965-01 196700586 tox21-ror-cho-viability-p1 set1 4 0.903356 1.93801434 0.68479129 1.97944848 0.91006603 2.39040337 2.66020373 -1.12113773 -1.18996559 0.56988342 -1.10083744 3.15633735 5.30662064 1.71649293 -1.88094341 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 83881-52-1 55182 144212578 A A Cetirizine dihydrochloride Cl.Cl.O=C(O)COCCN1CCN(CC1)C(c2ccc(Cl)cc2)c3ccccc3 Tox21_302261 -NCGC00256236-01 196700989 tox21-ror-cho-viability-p1 set1 4 62.42947758 -24.516915796 0.5 -24.016915796 2.9522712143 0.6489323299 0.0649044584 0.24955085 -1.28320641 -6.51049842 4.41188564 5.46038056 1.17996205 4.52499137 -0.67646289 -0.01815313 6.12594068 -0.88093618 -2.41844307 -3.31748274 -3.79197608 -17.09742983 1.0909999999E-9 2.44E-9 5.4559999999E-9 1.22E-8 2.7279999999E-8 6.0999999999E-8 1.3639999999E-7 3.05E-7 6.82E-7 0.0000015249999999 0.00000341 0.000007625 0.00001705 0.00003813 0.00008525 64-72-2 54682468 144212027 I I Chlortetracycline hydrochloride Cl.NC(=O)C1=C(O)[C@@H](N(C)C)[C@@H]2C[C@H]4C(=C(O)[C@]2(O)C1=O)C(=O)c3c(O)ccc(Cl)c3[C@@]4(C)O Tox21_301710 -NCGC00255805-01 196700994 tox21-ror-cho-viability-p1 set1 4 4.78901677 4.38370581 0.90265416 -0.62178595 0.66153305 0.07318855 1.33115323 7.44589184 0.19868658 -0.48315926 -0.81549805 5.99324219 5.50696221 0.62029618 -3.53895404 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-23-0 8422 144211707 A A 2-Naphthoxyacetic acid O=C(O)COc1ccc2ccccc2c1 Tox21_301390 -NCGC00255758-01 196701402 tox21-ror-cho-viability-p1 set1 4 -1.66259978 0.9476246 2.36010259 -0.43829595 0 0.4354421 -4.36538625 0.64405811 -8.0775279 2.43878631 -7.40204921 1.26309659 -0.48387816 0.78122993 4.34095673 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4394-85-8 20417 144212344 A Ac 4-Morpholinecarboxaldehyde O=CN1CCOCC1 Tox21_302027 -NCGC00091483-03 196701409 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -15.0726211559 0.5 -14.5726211559 4.9549173134 0.6443840305 0.0683256933 -0.33120197 0.2828448 -0.5909423 1.78011786 -0.64625157 -0.88517992 0.34397385 0.40117047 -6.18038451 0.76594871 1.9664014 2.27591288 2.38170579 2.15800496 -11.31051763 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00255963-01 196701412 tox21-ror-cho-viability-p1 set1 -1.1 10.8707224818 -83.621784163 1.6774112399 -81.9443729231 0.7999999999 0.9696578484 5.174E-7 0.50105354 0.01114085 0.08502238 4.57074632 -0.51169022 -0.3561105 0.77836159 0.21104472 -0.54411739 -20.41659745 -31.90931185 -32.24052177 -42.02386511 -63.57753044 -71.88102888 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4776-06-1 20906 144212741 A A Fluorosalan Oc1c(cc(Br)cc1Br)C(=O)Nc2cc(ccc2)C(F)(F)F Tox21_302424 -NCGC00024494-02 196697707 tox21-ror-cho-viability-p1 set1 4 1.77072421 3.0796017 2.91996206 0.76459865 3.48679973 4.09169019 0.21819871 4.72087894 0.62068226 1.33771772 3.25354971 0.34244231 0.95486352 2.25183526 2.58517912 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 338-69-2 71080 170465038 Z D-Alanine C[C@@H](N)C(=O)O Tox21_110903_1 -NCGC00160400-02 196697699 tox21-ror-cho-viability-p1 set1 4 -0.52570115 -3.19608423 -1.92812202 -4.58888633 -0.87790565 0.60875429 -1.56330028 0.33508424 -0.86880588 -3.39431034 -2.88508656 -1.90665078 -0.64915705 -0.36951851 -2.62168558 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17289-49-5 28446 170466070 A Tetridamine CNc1c2CCCCc2nn1C Tox21_111789_1 -NCGC00021623-05 196697700 tox21-ror-cho-viability-p1 set1 4 2.63487926 5.53712883 4.39517046 -0.10864057 7.25804914 1.96196168 5.03671686 0.34072179 1.60631302 1.39489359 4.35903317 -0.03873253 2.77075457 2.42507924 4.75670009 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 42200-33-9 39147 170464945 A Nadolol CC(C)(C)NCC(O)COc2cccc1C[C@@H](O)[C@@H](O)Cc12 Tox21_110646_1 -NCGC00095838-04 196697701 tox21-ror-cho-viability-p1 set1 4 0.0173144 0.67301877 6.235192 -3.84562014 -0.17731471 0.17168856 6.94585367 -0.33179343 0.34847396 -0.22874805 2.30781755 -3.08979534 0.71056194 0.41246638 1.62329518 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103628-46-2 5358 170465377 A Sumatriptan CNS(=O)(=O)Cc1cc2c(cc1)ncc2CCN(C)C Tox21_111528_1 -NCGC00166265-02 196698098 tox21-ror-cho-viability-p1 set1 4 4.3403218 7.74891008 0.06563866 -1.8419405 5.82852147 3.21648848 1.235144 3.29359485 0.34271783 3.8781734 2.5618026 3.44986577 3.09006632 1.23735004 3.12674541 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2037-95-8 16258 170466090 A Carsalam O=C2NC(=O)Oc1ccccc12 Tox21_112383_1 -NCGC00024740-04 196698103 tox21-ror-cho-viability-p1 set1 4 1.71564271 2.27707743 3.98100509 1.96274126 7.2894554 1.50792898 4.00768894 2.20111517 -0.7557907 -1.07141892 2.23632274 2.82164314 1.63003268 5.22301893 1.67915686 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98330-05-3 65854 170466301 A Anpirtoline Clc2nc(SC1CCNCC1)ccc2 Tox21_110922_1 -NCGC00257481-01 196726763 tox21-ror-cho-viability-p1 set3 4 0.0015355304 -16.481087836 15 -1.481087836 4.0949729863 0.3122287021 0.3562774936 10.87015475 -0.02787092 -0.0453854 -2.07407118 0.3720664 0.5353984 -8.73961134 -0.23653998 -1.58411596 -12.90090653 -3.1079775 8.31781524 -0.54408471 -1.374636 2.81211847 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-40-3 8182 144213920 F Fns Dodecane CCCCCCCCCCCC Tox21_303615 -NCGC00160366-02 196726345 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -63.7916952716 -4.700832988 -68.4925282596 4.9549173134 0.933845658 0.0000380972 -8.68029478 -7.33152569 0 -8.66985161 -1.19588846 -2.64742042 -5.94711424 -1.30068458 -7.25799702 -10.28967801 -4.97075039 1.92716474 -8.16451124 -6.87583079 -60.08116514 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4822-44-0 10382 170466861 C Thioglycolic acid anilide O=C(Nc1ccccc1)CS Tox21_113043_1 -NCGC00249919-01 196726352 tox21-ror-cho-viability-p1 set3 4 1.03590288 -0.19571509 0.82932038 0.08417973 -2.02488544 -2.73533352 -2.0693507 -1.67288325 -5.5282774 -2.7202609 -2.57241019 -2.2480443 -2.75785063 -0.75062461 -7.489069 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7642-64-0 111318 170465918 A A Nandrolone furylpropionate O=C4C=C5CC[C@@H]2[C@H](CC[C@]3(C)[C@@H](OC(=O)CCc1ccco1)CC[C@@H]23)[C@H]5CC4 Tox21_113695 -NCGC00014925-06 196726355 tox21-ror-cho-viability-p1 set3 -1.2 1.6785492 -54.4062980049 1.171999313 -53.2342986919 1.4787409999 0.9680982417 6.874E-7 -1.30884226 3.08475796 -0.9916812 -2.02405605 -1.07097125 2.02965494 2.45351725 0.11778599 -0.46894429 -12.73789474 -33.33222028 -31.46644346 -55.19524891 -51.93212683 -51.11289759 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 119413-54-6 60699 170465137 A Topotecan hydrochloride Cl.CN(C)Cc1c2cc3CN4C(=O)C=5COC(=O)[C@](O)(CC)C=5C=C4c3nc2ccc1O Tox21_111478_1 -NCGC00256366-01 196726764 tox21-ror-cho-viability-p1 set3 4 54.4826732819 -32.051255508 -3.5 -35.551255508 1.8851180601 0.674401432 0.0504889656 -4.06327119 -4.04974571 -2.63208573 0 -14.31048207 -1.29392581 -12.96890877 -1.8088349 0 0 -0.06181008 -4.85318158 -3.04713913 -16.83117225 -26.70937959 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 95-33-0 7232 144213241 A F N-Cyclohexyl-2-benzothiazolesulfenamide c1cccc2sc(nc12)SNC3CCCCC3 Tox21_302924 -NCGC00260649-01 196724762 tox21-ror-cho-viability-p1 set3 4 0.0053080386 8.624328272 -7.624328272 1 3.5117481694 0.4788499482 0.1981396812 0.19110094 -13.02027356 -10.71424393 0.68132775 1.47865619 -1.33864335 1.08529965 0.37706329 4.3260747 6.82762052 -2.120907 -1.99461311 -0.04741052 0.00906833 1.41682826 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49545 144210302 M M NTP Mix90 ER AR1 18-EQP Tox21_203104 -NCGC00260579-01 196724354 tox21-ror-cho-viability-p1 set3 4 0.0066824247 9.574359732 -8.074359732 1.5 4.4494702849 0.583759875 0.1092036559 -10.47863311 -6.19113269 -7.97358073 -3.43643843 3.9070262 3.01982778 0.67713034 1.32639334 0.76057473 -3.31376834 -0.54153297 11.10368332 -3.6019418 1.49943226 3.08571505 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49475 144210232 M M NTP Mix56 CT1 3-EQP Tox21_203034 -NCGC00357271-01 196724747 tox21-ror-cho-viability-p1 set3 4 4.3277125691 -14.457510912 1 -13.457510912 4.9549173134 0.8673529407 0.001277673 -4.90346433 3.55964797 3.52108688 3.22370708 4.29618377 -1.82245546 2.08579673 1.41728923 1.39546862 -1.92362696 -2.34923064 -13.88227248 -11.2838702 -13.11479583 -14.54792576 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 596-03-2 11689 251919678 F 4',5'-Dibromofluorescein Brc4c5Oc1c(Br)c(O)ccc1C3(OC(=O)c2ccccc23)c5ccc4O Tox21_303911 -NCGC00260425-01 196724761 tox21-ror-cho-viability-p1 set3 4 -1.18769202 0.12022723 1.44200853 -0.63452874 1.94866595 -0.74263555 0.53781014 1.23023887 1.70599723 -0.45956399 1.10667621 2.25322415 -1.09898643 -2.30913927 1.68221093 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.629E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008287 0.00001853 0.000041429999999 0.00009265 93-91-4 7166 144210077 A I 1-Benzoylacetone O=C(CC(C)=O)c1ccccc1 Tox21_202879 -NCGC00260610-01 196724763 tox21-ror-cho-viability-p1 set3 4 0.0008412674 14.7093587479 -11.7093587479 3 3.2974983358 0.6681285374 0.0546074127 -8.09113229 0.35424233 1.09561848 1.53138889 -0.09089109 2.00348432 2.84540117 3.84286652 7.72467378 3.08531912 4.27821382 2.86442671 2.40757948 1.36086437 7.11869872 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49506 144210263 M M NTP Mix13 AR1 8-EQC Tox21_203065 -NCGC00260139-01 196724768 tox21-ror-cho-viability-p1 set3 -2.2 26.6334335582 -57.1090725678 1.9563161559 -55.1527564119 0.6 0.8653548685 0.0013637249 -3.86635836 1.0608917 1.12646267 1.72133176 9.15251961 1.80678972 7.4111503 -8.3483524 -1.70047714 -13.67280299 -12.75037612 -15.17633012 -19.821967 -23.08361807 -41.72115727 1.0499999999E-9 2.347E-9 5.2489999999E-9 1.174E-8 2.624E-8 5.868E-8 1.312E-7 2.9339999999E-7 6.561E-7 0.000001467 0.0000032799999999 0.0000073349999999 0.0000164 0.00003668 0.00008201 50-44-2 667490 144209789 A A 6-Mercaptopurine S=C2NC=Nc1ncnc12 Tox21_202591 -NCGC00022735-06 196725169 tox21-ror-cho-viability-p1 set3 4 0.7497803863 14.5 4 18.5 4.9549173134 0.6540475485 0.0730963284 4.05504156 0.19687727 11.282779 3.28148955 0 2.46656101 14.2683855 0.0107085 0 13.71858212 20.63187087 22.6199544 19.65660035 10.49876827 4.15941191 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83-43-2 6741 170465051 A Methylprednisolone OCC(=O)[C@@]4(O)CC[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3C[C@H](C)C1=CC(=O)C=C[C@@]12C Tox21_110376_1 -NCGC00262944-01 196722421 tox21-ror-cho-viability-p1 set3 4 0.26603212 -6.311995412 -0.5 -6.811995412 4.9549173134 0.7287418214 0.0339981074 -0.52457856 -1.16716191 -0.77992287 0.41446253 0.46791727 -1.22229718 -1.00224978 1.01524357 -6.51873316 -9.51111009 -5.37237275 -11.09332951 -6.30781523 -2.55894289 5.26693562 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1050-48-2 66247 170466542 A A Benzilonium bromide [Br-].O=C(OC1CC[N+](CC)(CC)C1)C(O)(c2ccccc2)c3ccccc3 Tox21_113937 -NCGC00016375-09 196722417 tox21-ror-cho-viability-p1 set3 4 0.7497803863 12.7926267719 -5.2926267719 7.5 0.7999999999 0.3160288339 0.3518477145 2.59515451 1.98151172 -5.9638562 -26.91052231 3.06775749 -7.59956671 0 -3.17181329 -3.06822015 4.79691927 4.90493997 2.8571288 1.9084599 6.54548478 10.84947796 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122-11-2 5323 170465690 A Sulfadimethoxine COc2nc(NS(=O)(=O)c1ccc(N)cc1)cc(OC)n2 Tox21_110405_1 -NCGC00165767-04 196722420 tox21-ror-cho-viability-p1 set3 4 -1.06360901 -1.81936363 -0.75810377 -1.2187913 -1.11283357 0.33726 -0.62813366 0.62879952 -6.142177 -8.54689349 -6.3174926 -5.63634183 -5.52058526 -4.56034096 -2.74766412 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2624-43-3 2898 170465970 A Cyclofenil CC(=O)Oc1ccc(cc1)C(/c2ccc(OC(C)=O)cc2)=C3/CCCCC3 Tox21_112259_1 -NCGC00181765-01 196722424 tox21-ror-cho-viability-p1 set3 4 0.0016785492 12.952020496 -8.952020496 4 1.0999999999 0.452080208 0.2231542335 -7.46001708 -2.51318007 1.104091 2.56104506 0.64887617 1.03745542 0.33013609 9.71223778 2.64262109 7.88893992 7.08741742 -3.45734251 4.72423045 1.51668304 8.72986112 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103177-37-3 4887 144206505 F A Pranlukast hydrate O=C(Nc3cccc1c3OC(=CC1=O)c2nnnn2)c5ccc(OCCCCc4ccccc4)cc5 Tox21_112952 -NCGC00259088-01 196721639 tox21-ror-cho-viability-p1 set3 4 -7.50689065 -7.51962824 3.5564103 -3.50824712 0.38168417 -8.78391066 -13.9757344 -4.89764085 -3.11757887 -5.18365107 -5.32653129 -6.27970185 -6.67306208 4.3693883 1.13676481 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.9719999999E-8 6.6449999999E-8 1.486E-7 3.3219999999E-7 7.429E-7 0.0000016609999999 0.0000037149999999 0.0000083059999999 0.00001857 0.00004153 0.00009287 135-76-2 23667648 144208736 A A Sodium 6-hydroxynaphthalene-2-sulfonate [Na+].[O-]S(=O)(=O)c1ccc2cc(O)ccc2c1 Tox21_201538 -NCGC00259642-01 196721635 tox21-ror-cho-viability-p1 set3 4 -4.30063322 -5.37661612 -3.64440533 -3.01320578 -6.67450058 -7.6621278 -4.07051038 -5.62248008 -2.4000593 -3.62469978 -5.28469254 -3.0660509 -4.8902813 -2.0154306 -7.68512536 1.1989999999E-9 2.6809999999E-9 5.9959999999E-9 1.3409999999E-8 2.998E-8 6.703E-8 1.4989999999E-7 3.352E-7 7.495E-7 0.000001676 0.000003747 0.0000083789999999 0.000018739999999 0.000041899999999 0.00009368 5392-40-5 8843 144209291 A I 3,7-Dimethyl-2,6-octadienal C\C(C)=C\CCC(C)=CC=O Tox21_202093 -NCGC00259519-01 196721636 tox21-ror-cho-viability-p1 set3 4 -16.19740298 -2.43563236 3.24067511 -13.28875151 1.01716972 -2.37464044 -1.31991162 0.18066319 0.33731386 4.27783578 -2.19363358 -11.69283457 -10.17880245 -8.85643977 -17.30071641 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.629E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008287 0.00001853 0.000041429999999 0.00009265 17696-61-6 86607 144209168 A A sec-Butylparaben Oc1ccc(cc1)C(=O)OC(C)CC Tox21_201970 -NCGC00259767-01 196721637 tox21-ror-cho-viability-p1 set3 4 30.5444110439 10.2776387079 -5.7776387079 4.5 4.5044702849 0.3474319623 0.3227627625 -7.60603098 -8.05670148 -0.67528271 -1.59735792 -3.03431961 -1.71391314 -13.22778849 -4.98531298 -15.23136559 -3.14813667 0.01119482 -10.35768048 -4.29032162 2.44701786 4.55028085 1.177E-9 2.6319999999E-9 5.8849999999E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.0000036779999999 0.000008225 0.00001839 0.00004113 0.00009196 41340-25-4 3308 144209416 A A Etodolac O=C(O)CC3(CC)OCCc2c3nc1c(cccc12)CC Tox21_202218 -NCGC00259143-01 196721642 tox21-ror-cho-viability-p1 set3 4 27.1394921295 9.9904440239 -4.9904440239 5 4.9549173134 0.6001557056 0.0975632112 -4.95746847 -3.64674292 -2.08798182 -1.43384306 -7.54833376 -8.66045572 -4.68030096 -4.06861462 -10.82537002 -0.8859103 -6.46439204 -3.78449081 -4.67511093 3.98322774 4.73154425 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 0.000091709999999 70-55-3 6269 144208792 A A 4-Toluenesulfonamide Cc1ccc(cc1)S(=O)(N)=O Tox21_201594 -NCGC00259458-01 196722031 tox21-ror-cho-viability-p1 set3 4 -10.60487037 -5.5670298 -9.19835811 0.02808815 1.43330231 -7.91230916 -9.45441432 -6.9136376 -2.31770929 -1.20218439 -5.91980457 -6.90435806 -1.6170735 -1.09882392 0.24461799 1.211E-9 2.707E-9 6.053E-9 1.3539999999E-8 3.027E-8 6.768E-8 1.5129999999E-7 3.3839999999E-7 7.566E-7 0.0000016919999999 0.0000037829999999 0.00000846 0.00001892 0.0000423 0.000094579999999 98-16-8 7375 144209107 A A 3-(Trifluoromethyl)aniline FC(F)(F)c1cc(N)ccc1 Tox21_201909 -NCGC00259965-01 196722045 tox21-ror-cho-viability-p1 set3 -2.2 60.5094261282 -58.4622613784 -3.944113756 -62.4063751344 1.0999999999 0.8127277374 0.0060128169 -7.42365366 -3.16740026 -2.40780252 2.16358064 1.16295904 -4.28821394 -5.40389341 -3.90704685 -6.60070859 -5.58048826 -14.2846484 -13.98279809 -16.58810644 -14.67370615 -47.27755692 1.1699999999E-9 2.617E-9 5.851E-9 1.3079999999E-8 2.925E-8 6.5409999999E-8 1.463E-7 3.271E-7 7.314E-7 0.000001635 0.000003657 0.000008177 0.00001828 0.00004088 0.00009142 90-94-8 7031 144209614 A A Michler's ketone CN(C)c1ccc(cc1)C(=O)c2ccc(cc2)N(C)C Tox21_202416 -NCGC00258904-01 196722272 tox21-ror-cho-viability-p1 set3 4 0.57365404 -0.80512722 2.38624724 8.63012014 2.30038315 -1.15236701 -1.05250672 0.34358531 0.1964672 3.73753667 -0.4298479 1.58589613 0.11078313 2.80878488 -2.28025868 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009203 1582-09-8 5569 144208550 A A Trifluralin [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)C(F)(F)F Tox21_201352 -NCGC00258803-01 196722267 tox21-ror-cho-viability-p1 set3 4 30.8248964822 11.1704455639 -4.1704455639 7 4.9549173134 0.6429871221 0.0688230009 -8.89203797 -3.08242096 -2.50871576 -5.67094207 -1.46675933 2.52707638 -6.02063556 -2.00585758 -5.1198521 -6.17837957 -5.49579898 -4.47497843 -4.49364143 5.37826321 6.58991696 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.000041429999999 0.000092629999999 95-49-8 7238 144208449 A Fns 2-Chlorotoluene Cc1ccccc1Cl Tox21_201251 -NCGC00159553-02 196722674 tox21-ror-cho-viability-p1 set3 4 33.4914596268 12.7099784999 -2.7099784999 10 4.9549173134 0.4689861159 0.2078785375 -0.17313758 -5.9341508 0.77601456 -0.65555112 -2.166627 -9.34164875 0 0 -2.41709267 -5.39607759 -0.97658516 -0.90222414 -3.28245078 -6.30069368 8.82376419 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 161605-73-8 208953 170466123 A Fanapanel O=P(O)(O)CN1c2cc(c(cc2NC(=O)C1=O)C(F)(F)F)N3CCOCC3 Tox21_111745_1 -NCGC00259130-01 196721100 tox21-ror-cho-viability-p1 set3 4 14.7018069089 13.419048644 -11.419048644 2 2.7867712143 0.7160050481 0.0314610011 -11.74940554 -14.51587387 -11.10174943 -2.3880239 -11.5947845 -12.96376889 -13.53446847 -14.42793502 -13.56538428 -8.50907905 -11.2032417 -9.03740542 -3.91221854 2.89424263 0.5257061 1.1379999999E-9 2.544E-9 5.689E-9 1.2719999999E-8 2.844E-8 6.36E-8 1.422E-7 3.18E-7 7.111E-7 0.00000159 0.000003556 0.0000079509999999 0.00001778 0.00003975 0.00008889 7757-79-1 24434 144208779 Potassium nitrate [K+].[O-][N+]([O-])=O Tox21_201581 -NCGC00254422-01 196720684 tox21-ror-cho-viability-p1 set3 4 6.90216293 2.02066423 4.29356172 2.35307047 -0.53547279 6.33853841 5.78893772 2.63710874 7.12342126 10.03549282 -6.11674293 3.26421701 7.39293029 0.75940392 1.88768698 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-57-8 7245 144210658 AC Ac 2-Chlorophenol Oc1ccccc1Cl Tox21_300340 -NCGC00259671-01 196721078 tox21-ror-cho-viability-p1 set3 4 11.20039728 16.52719905 -7.83195154 0.48228164 -12.17616338 10.89658818 9.62203667 8.12088441 13.13831476 4.41076944 -3.54349381 11.47999214 3.39157371 -4.20419305 -8.14965785 1.196E-9 2.6749999999E-9 5.981E-9 1.338E-8 2.9909999999E-8 6.6879999999E-8 1.4949999999E-7 3.344E-7 7.477E-7 0.0000016719999999 0.0000037379999999 0.0000083589999999 0.00001869 0.000041799999999 0.000093459999999 144-62-7 971 144209320 Oxalic acid O=C(O)C(=O)O Tox21_202122 -NCGC00259403-01 196721079 tox21-ror-cho-viability-p1 set3 4 70.75758012 -18.451653044 12.5 -5.951653044 4.9549173134 0.4504528765 0.2242145778 13.88014238 14.58823646 3.56655212 21.50955195 13.24736126 15.10017147 12.47340498 13.38396441 11.12284287 5.07906706 8.95771888 13.75517138 13.04928112 11.08987414 -2.45971087 1.211E-9 2.707E-9 6.053E-9 1.353E-8 3.0259999999E-8 6.767E-8 1.5129999999E-7 3.3829999999E-7 7.566E-7 0.0000016919999999 0.0000037829999999 0.000008459 0.00001891 0.000042289999999 0.000094569999999 122-59-8 19188 144209052 A A Phenoxyacetic acid O=C(O)COc1ccccc1 Tox21_201854 -NCGC00259081-01 196721484 tox21-ror-cho-viability-p1 set3 2.2 30.8560878831 65.8984779299 -7.0209372474 58.8775406825 1.372261 0.9071273985 0.0002217249 -3.85372763 -3.62640887 -2.55560089 -6.71980668 -10.302598 -7.00043678 -12.17240989 -5.74963067 -15.00959775 -14.24847742 4.37816221 10.18483216 9.42520578 29.00607444 54.8020033 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.4829999999E-7 3.317E-7 7.417E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.00004146 0.000092709999999 39515-41-8 47326 144208729 A A Fenpropathrin CC3(C)C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C Tox21_201531 -NCGC00259667-01 196721491 tox21-ror-cho-viability-p1 set3 4 15.44264508 11.53574076 15.92915562 17.19452049 13.39103133 14.49689379 13.36309697 12.16557728 14.20912519 8.74372745 12.71014346 15.21702041 12.59979035 18.11542065 17.92178585 1.198E-9 2.6779999999E-9 5.988E-9 1.339E-8 2.994E-8 6.6949999999E-8 1.497E-7 3.347E-7 7.485E-7 0.0000016739999999 0.000003742 0.000008368 0.00001871 0.00004184 0.000093559999999 16672-87-0 27982 144209316 A A Ethephon ClCCP(=O)(O)O Tox21_202118 -NCGC00259950-01 196721495 tox21-ror-cho-viability-p1 set3 -2.4 2.3719109558 -21.1637593481 -4.8145908199 -25.978350168 0.8999999999 0.810331857 0.0063581893 -4.1786502 -5.59834182 -5.19642009 -3.79227694 -2.93663287 -6.78335006 -3.93610692 -11.29569236 -15.16484911 -2.34549235 -22.75451713 -22.33782722 -22.7636894 -22.00123307 -26.64862514 1.155E-9 2.582E-9 5.773E-9 1.291E-8 2.886E-8 6.454E-8 1.443E-7 3.227E-7 7.216E-7 0.000001614 0.000003608 0.000008068 0.000018039999999 0.00004034 0.0000902 154-42-7 2723601 144209599 A A 6-Thioguanine NC2=Nc1ncnc1C(=S)N2 Tox21_202401 -NCGC00259996-01 196721878 tox21-ror-cho-viability-p1 set3 4 21.381504486 6.2627676959 -5.7627676959 0.5 4.9549173134 0.4519185857 0.2251446582 -6.72940684 -4.99504955 -3.52961636 -1.13346551 -7.29237289 -4.49586274 -5.5094854 -9.05479797 -4.65972982 -5.97606545 -3.73417715 -11.46897308 -4.12589354 0.96957668 0.12556387 1.166E-9 2.6069999999E-9 5.83E-9 1.304E-8 2.9149999999E-8 6.518E-8 1.457E-7 3.259E-7 7.287E-7 0.0000016299999999 0.0000036439999999 0.0000081479999999 0.00001822 0.00004074 0.00009109 100-51-6 244 144209645 A A Benzyl alcohol OCc1ccccc1 Tox21_202447 -NCGC00259410-01 196721879 tox21-ror-cho-viability-p1 set3 4 0.1933118196 10.926840252 -3.426840252 7.5 4.9549173134 0.5924484712 0.1023991184 -7.85570021 -7.25768298 -0.17527961 -2.54834249 -1.01186248 -1.32840587 -3.04786426 13.45720511 9.3174907 8.86195134 10.62604578 12.52558147 -3.5953564 2.80127784 5.8891929 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 1330-61-6 14899 144209059 D Isodecyl acrylate C=CC(=O)OCCCCCCCC(C)C Tox21_201861 -NCGC00258876-01 196721881 tox21-ror-cho-viability-p1 set3 4 55.4814984079 20.7941557039 -6.7941557039 14 1.692447691 0.512866228 0.1672205419 -7.95833025 -5.01109862 -0.11476558 -0.57487924 -1.91954839 -9.43066897 -10.32000951 -5.42335305 -15.66179642 -9.83351903 -9.16241494 -6.87507573 -0.79011868 -0.98486317 9.14554647 1.198E-9 2.6779999999E-9 5.989E-9 1.339E-8 2.995E-8 6.696E-8 1.497E-7 3.3479999999E-7 7.486E-7 0.0000016739999999 0.0000037429999999 0.00000837 0.000018719999999 0.00004185 0.00009358 97-99-4 7360 144208522 A A Tetrahydrofurfuryl alcohol OCC1CCCO1 Tox21_201324 -NCGC00163843-03 196710063 tox21-ror-cho-viability-p1 set2 4 4.35760022 1.87753697 2.0170929 5.65662256 3.87631175 4.07239747 0.43860229 0.51325236 0.97720087 0.09936548 0.26111464 0.5747626 1.5608819 1.31421356 1.68699702 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00164164-02 196710067 tox21-ror-cho-viability-p1 set2 4 -0.37918869 -0.45547309 1.48677119 5.12678065 -0.82580389 0.51421006 -1.68023931 -0.32453803 -0.06009456 -0.04581776 0.50916286 0.74158601 -0.20950165 6.33199265 -0.60254719 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00259203-01 196709650 tox21-ror-cho-viability-p1 set2 4 -0.30355711 0.08071147 5.68477801 0.07217629 0.56315979 -4.12888682 -8.03631505 -0.58519417 -0.47376469 0.01247241 -0.07497671 -0.6912117 0.74596902 1.99634693 0.8636439 1.146E-9 2.564E-9 5.732E-9 1.282E-8 2.866E-8 6.4089999999E-8 1.433E-7 3.204E-7 7.165E-7 0.000001602 0.000003583 0.0000080109999999 0.00001791 0.00004006 0.000089569999999 141-86-6 8861 144208852 A D 2,6-Diaminopyridine Nc1cccc(N)n1 Tox21_201654 -NCGC00259129-01 196709651 tox21-ror-cho-viability-p1 set2 4 0.67948683 1.40877402 1.88135624 -8.72504085 -3.18077419 -1.7944616 -5.23295084 -4.03566564 -4.92825801 3.21801334 -5.77126151 1.95506119 3.16343067 -4.16439283 -3.10766777 1.2049999999E-9 2.695E-9 6.026E-9 1.347E-8 3.013E-8 6.737E-8 1.506E-7 3.368E-7 7.5319999999E-7 0.0000016839999999 0.000003766 0.000008421 0.000018829999999 0.000042109999999 0.00009415 528-29-0 10707 144208778 A A 1,2-Dinitrobenzene O=[N+]([O-])c1ccccc1[N+]([O-])=O Tox21_201580 -NCGC00255871-01 196710071 tox21-ror-cho-viability-p1 set2 4 3.69020484 4.45405559 0.85110711 1.85215005 4.64188133 0.59295339 3.10405505 -0.18629561 0.29980195 -0.43907291 0.60715877 2.35305865 2.60830553 0.4401574 3.5713362 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2403-89-6 75472 144212394 A A 1,2,2,6,6-Pentamethylpiperidin-4-ol CC1(C)CC(O)CC(C)(C)N1C Tox21_302077 -NCGC00256149-01 196710475 tox21-ror-cho-viability-p1 set2 4 -0.2868385 -0.66022177 0.69433567 -0.02561858 1.26695784 1.62406853 0.22806219 4.23459685 -1.26901261 -0.98867132 4.13681653 4.54956623 2.75490554 2.8476007 2.38980319 2.359E-9 5.276E-9 1.18E-8 2.638E-8 5.899E-8 1.3189999999E-7 2.949E-7 6.595E-7 0.000001475 0.000003297 0.0000073729999999 0.000016489999999 0.00003687 0.000082439999999 0.0001843 25620-58-0 76714 144212046 A A Trimethylhexane-1,6-diamine CC(CC(C)(C)CCN)CN Tox21_301729 -NCGC00255398-01 196710481 tox21-ror-cho-viability-p1 set2 4 61.130564862 11.3669151039 -0.3669151039 11 2.4729283767 0.6062882165 0.0945045988 0.51786502 1.95783982 0.01323356 1.31536052 1.18956108 -0.43880165 0.38259157 0.51945682 -4.88909592 -2.19119133 -3.22029461 -0.24363023 0.62341197 2.65015245 7.85401334 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 622-40-2 61163 144212339 A 4-(2-Hydroxyethyl)morpholine OCCN1CCOCC1 Tox21_302022 -NCGC00255793-01 196710497 tox21-ror-cho-viability-p1 set2 4 -11.35676401 -0.91473602 -9.83494733 -3.4724969 -14.0233862 -9.58697763 -17.69086293 -15.76034637 -3.51778351 -16.64255589 -11.53108213 -3.57935948 -11.62483046 -14.93630507 -15.96500984 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13372-77-5 114644 144212215 D Citral oxime C/C(C)=C\CCC(C)=C\C=N\O Tox21_301898 -NCGC00260282-01 196711306 tox21-ror-cho-viability-p1 set2 4 -5.18056781 -7.57999153 -10.42510525 -9.14336737 -4.70595975 -9.22236389 -6.66253591 -9.05800243 -4.21296221 -5.92632417 -1.51240259 -3.86967536 -14.88883399 -0.44717412 -9.54082925 3.02E-10 6.752E-10 1.51E-9 3.376E-9 7.549E-9 1.688E-8 3.774E-8 8.44E-8 1.887E-7 4.2199999999E-7 9.436E-7 0.0000021099999999 0.0000047179999999 0.00001055 0.00002359 294-62-2 9268 144209932 Fns Cyclododecane C1CCCCCCCCCCC1 Tox21_202734 -NCGC00260195-01 196711316 tox21-ror-cho-viability-p1 set2 -3 69.2178691585 -91.5405020109 3.1269636249 -88.413538386 4.9549173134 0.9825681903 2.14E-8 0.88627863 0.70563074 0.4844645 -0.94802907 6.1007764 4.15977 4.60450856 5.70177332 5.21468863 5.31909041 3.52605479 -0.58126249 0.60509138 -0.72610291 -71.3599511 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.971E-8 6.6439999999E-8 1.486E-7 3.3219999999E-7 7.429E-7 0.0000016609999999 0.000003714 0.000008305 0.00001857 0.00004153 0.00009286 244193-64-4 18506491 144209845 A A 1-Hexadecyl-3-methylimidazolium tetrafluoroborate F[B-](F)(F)F.C[n+]1ccn(CCCCCCCCCCCCCCCC)c1 Tox21_202647 -NCGC00357211-01 196711723 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -18.921848736 8 -10.921848736 4.9549173134 0.5927428951 0.1027558801 5.98301751 4.25060574 5.07837836 10.11322416 9.94522032 6.96915457 5.6248416 16.25971975 7.76552372 10.62694735 7.24479019 8.49111488 6.95107712 9.28822076 -5.76820728 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-01-5 91759533 251919913 F Glycerol tributyrate O=C(CCC)OC(OC(=O)CCC)OC(=O)CCC Tox21_303991 -NCGC00260026-01 196711747 tox21-ror-cho-viability-p1 set2 -3 33.3144003965 -38.1344637829 -4 -42.1344637829 4.9549173134 0.8355632496 0.0034126782 -4.22040378 -1.12196835 -3.10442945 -11.05435352 -7.17034568 -3.18313126 -1.30608713 -10.30420106 -5.85170467 -2.99829847 -6.91959245 0 0 -1.87257735 -36.96005595 5.873E-10 1.313E-9 2.9369999999E-9 6.566E-9 1.468E-8 3.283E-8 7.3419999999E-8 1.642E-7 3.6709999999E-7 8.2079999999E-7 0.0000018349999999 0.000004104 0.0000091769999999 0.00002052 0.00004588 91-93-0 7069 144209675 F F 3,3'-Dimethoxybenzidine-4,4'-diisocyanate COc1cc(ccc1/N=C=O)c2ccc(\N=C=O)c(OC)c2 Tox21_202477 -NCGC00260538-01 196711748 tox21-ror-cho-viability-p1 set2 3 60.5714923824 105.654909334 -2.1319169153 103.5229924187 4.9549173134 0.9088059822 0.0002020431 -0.40138858 -0.69897235 0.70571094 1.65276561 0.49806803 -0.14643588 -0.14970706 -1.45467523 -1.01679359 -0.23981919 1.98779064 2.28653964 -28.86110126 9.69037924 91.51447132 1.171E-9 2.618E-9 5.8529999999E-9 1.3089999999E-8 2.927E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.317E-7 0.0000016359999999 0.000003658 0.0000081809999999 0.00001829 0.0000409 0.00009146 17831-71-9 28803 144210191 A Ac Tetraethylene glycol diacrylate O=C(OCCOCCOCCOCCOC(=O)C=C)C=C Tox21_202993 -NCGC00164353-05 196697288 tox21-ror-cho-viability-p1 set1 4 33.4914596268 11.81616658 -0.31616658 11.5 4.9549173134 0.6053956978 0.0945800509 -3.36333476 0.07717415 1.67072395 1.1994767 -1.27509584 1.49997043 -1.87675957 -1.2517076 -4.01347215 2.82652358 -3.20446043 1.48048909 -0.07682609 0.29267891 9.32289518 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 608-66-2 11850 170465565 Z Mannitol O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)CO Tox21_111644_1 -NCGC00168784-03 196697270 tox21-ror-cho-viability-p1 set1 4 11.8832183006 -13.838094996 4.5 -9.338094996 4.0949729863 0.6694072645 0.0533132101 2.56536593 10.2651481 5.72735954 0.08186672 4.93534853 9.03103397 5.57437292 4.24409706 0.23852375 4.85812488 0.00740908 9.81725321 0.24843106 -6.60476771 -10.28174583 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122111-03-9 60749 170465129 A Gemcitabine Cl.NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)C2(F)F Tox21_112644_1 -NCGC00182705-02 196697274 tox21-ror-cho-viability-p1 set1 4 2.05190788 0.37759205 -0.26936973 2.55126387 2.8575848 -0.99530127 2.0596002 6.75032516 -0.11691202 2.56794994 2.95196763 8.30414022 3.56739159 2.34677039 2.3941044 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3964-81-6 19861 170464865 A Azatadine CN1CC\C(CC1)=C2\c4ncccc4CCc3ccccc23 Tox21_112982_1 -NCGC00090965-04 196697279 tox21-ror-cho-viability-p1 set1 4 0.47029692 -5.37969609 -3.7907603 2.00271964 -4.60822839 0.83023932 -0.91559688 -1.20333668 -3.96177159 -1.31622142 -1.78861595 0.0742156 -3.00361486 2.0268118 -0.69589757 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00263447-01 196697290 tox21-ror-cho-viability-p1 set1 4 -3.37622173 -3.03890276 -5.73604878 -5.16482624 -5.18241788 2.92574467 2.49495204 0.78342029 -4.14264722 -3.76271817 -5.93272606 0.76372361 -6.45208386 1.44100261 -5.93836042 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 481-06-1 221071 170465728 A alpha-Santonin O=C1C=C[C@]2(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3C2=C1C Tox21_110445_1 -NCGC00094619-06 196697294 tox21-ror-cho-viability-p1 set1 4 33.4914596268 11.1211394919 -4.1211394919 7 4.9549173134 0.3899280355 0.2834239334 -5.10446978 -0.69501964 -0.65885374 -9.226464 -3.97843466 -9.68428291 -0.22256509 -4.7515214 -4.9571071 -2.30748165 -5.05609608 -1.49694292 -0.55118856 -5.1306108 5.59700945 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 982-57-0 656833 170465429 D Chloramphenicol sodium succinate [Na+].O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](COC(=O)CCC([O-])=O)NC(=O)C(Cl)Cl Tox21_113484_1 -NCGC00344533-01 196697300 tox21-ror-cho-viability-p1 set1 4 0.32671498 0.97454375 0.82576655 0.21234532 5.78630182 1.60783973 0.97353854 3.57494879 0.29312715 0.89757785 1.94148583 3.21362522 2.64182867 0.90430411 0.62457547 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2490-97-3 25561 170465810 A Nalpha-Acetyl-L-glutamine O=C(C)NC(CCC(N)=O)C(=O)O Tox21_113393_1 -NCGC00090686-07 196697307 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -12.253131736 2 -10.253131736 4.9549173134 0.5908478676 0.1055183499 0.20230831 3.96983839 7.81275985 0.05109976 2.1285589 1.96825179 1.38512053 -0.39574883 2.49547358 2.240827 2.64374908 1.88406252 1.61915618 2.50606153 -6.87760978 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00262929-01 196697314 tox21-ror-cho-viability-p1 set1 4 29.8492948118 -16.3948794439 1.5 -14.8948794439 4.9549173134 0.9073004313 0.0002244431 1.06098425 -0.17268146 2.71612678 1.03111113 1.35427132 2.40600265 4.49732122 2.85729462 1.28355823 -0.04341816 0.38038713 0.84201553 1.204982 -0.29786289 -13.24573287 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 211915-06-9 9578572 170466107 A F BIBR-1048 O=C(OCCCCCC)\N=C(\N)c1ccc(cc1)NCc3nc2cc(ccc2n3C)C(=O)N(CCC(=O)OCC)c4ccccn4 Tox21_113924 -NCGC00255014-01 196699263 tox21-ror-cho-viability-p1 set1 -2.4 4.354132359 -22.556167868 -1 -23.556167868 1.0999999999 0.9581513989 0.0000031626 0.62121823 -4.39906006 -1.3267991 -0.81828909 -0.64537339 -1.10699914 0.81511804 0.29665726 -5.85481003 -8.52418845 -10.86509247 -13.70923789 -21.22376701 -23.38013989 -21.88418715 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 120068-37-3 3352 144211431 A A Fipronil FC(F)(F)S(=O)c1c(N)n(nc1C#N)c2c(Cl)cc(cc2Cl)C(F)(F)F Tox21_301114 -NCGC00254156-01 196699242 tox21-ror-cho-viability-p1 set1 4 54.4826732819 8.7408461639 -0.2408461639 8.5 2.7202212143 0.4994496589 0.182386917 1.2738956 2.55517671 0.16605392 2.87374435 0.58300824 0.76395718 -0.82865668 -0.71797394 -2.91691413 -4.78403847 -2.20746554 -0.15393063 -0.15936549 2.80643084 6.84632284 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6381-77-7 23683938 144210479 F Sodium erythorbate (1:1) [Na+].OC=1C(=O)O[C@H]([C@H](O)CO)C=1[O-] Tox21_300159 -NCGC00259013-01 196721597 tox21-ror-cho-viability-p1 set3 4 -6.66520866 -5.86896641 -5.26937932 0.98238406 -1.56464115 -6.15801085 -4.15454315 -5.09363629 -5.37113125 -2.53531685 -6.00647758 -5.7369695 -7.79210514 -6.03015932 -6.05079072 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.324E-8 2.96E-8 6.618E-8 1.4799999999E-7 3.309E-7 7.399E-7 0.0000016539999999 0.0000037 0.000008272 0.0000185 0.00004136 0.000092489999999 51-28-5 1493 144208660 A A 2,4-Dinitrophenol O=[N+]([O-])c1cc(ccc1O)[N+]([O-])=O Tox21_201462 -NCGC00258993-01 196721188 tox21-ror-cho-viability-p1 set3 4 27.2227349976 12.7672594759 -5.7672594759 7 4.9549173134 0.7699845072 0.0141934063 -7.5018555 -6.58350278 -2.76910114 0.19635548 -6.20188089 -7.72271623 -7.64773933 -7.20605224 -5.29453307 -4.62367538 -3.53823307 -6.53983207 -6.59830181 6.99011841 6.14214399 1.177E-9 2.6319999999E-9 5.886E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.000003679 0.000008225 0.00001839 0.00004113 0.00009196 88-75-5 6947 144208640 D 2-Nitrophenol O=[N+]([O-])c1ccccc1O Tox21_201442 -NCGC00259166-01 196721577 tox21-ror-cho-viability-p1 set3 4 0.0077742115 23.115933776 -17.115933776 6 0.2 0.5159622164 0.1649520732 -12.59661148 -5.909613 -4.68235484 0.87763648 0.87034794 -9.50857843 -1.33926251 -4.59431647 0.96671843 0.59756694 -1.92417112 -0.67794975 1.21109772 2.94448161 5.91319442 1.19E-9 2.661E-9 5.95E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003719 0.000008315 0.00001859 0.00004158 0.00009297 62-73-7 3039 144208815 D Dichlorvos COP(=O)(OC)O\C=C(\Cl)Cl Tox21_201617 -NCGC00091426-02 196721594 tox21-ror-cho-viability-p1 set3 4 -9.1807009 -0.47075874 -7.97450937 -9.26216866 -2.29952594 0.93192104 0.9648209 -0.54975906 1.05654645 -4.20607837 -5.35228122 -9.92147229 -8.84369435 -5.56175221 -3.83072694 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00259541-01 196721979 tox21-ror-cho-viability-p1 set3 4 -2.09196698 -0.46801145 -1.38244284 9.88900122 -3.24409137 -4.23013937 -3.20468448 -2.3501754 -6.60523891 -2.58296274 -3.14485962 -2.03016505 -3.11060363 4.94646315 4.77793814 1.1689999999E-9 2.6129999999E-9 5.843E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.461E-7 3.2659999999E-7 7.3029999999E-7 0.0000016329999999 0.000003652 0.0000081649999999 0.00001826 0.000040829999999 0.00009129 103-09-3 7635 144209190 A B 2-Ethylhexyl acetate O=C(C)OCC(CCCC)CC Tox21_201992 -NCGC00090701-06 196722395 tox21-ror-cho-viability-p1 set3 4 -1.68885108 3.75414851 5.45730329 0.66791615 6.66671735 6.25439917 5.7168422 6.30796283 4.79380928 4.6716195 1.45393104 12.32781088 1.822509 1.24517911 0.09685114 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00166022-02 196722403 tox21-ror-cho-viability-p1 set3 3 37.5780357627 33.0613479321 2.9386520679 36 0.7999999999 0.4259258132 0.246721601 -0.26391088 -0.53838272 1.35317787 0.81955917 16.21257121 -0.88445661 2.99067372 3.78489458 11.96769543 11.02539864 9.10861388 4.62691761 1.55458712 9.32256294 31.38950563 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 611-71-2 11914 170465573 Z D-(-)-Mandelic acid O[C@@H](C(=O)O)c1ccccc1 Tox21_112292_1 -NCGC00262918-01 196722812 tox21-ror-cho-viability-p1 set3 4 7.8898056 6.65093992 11.62334957 6.42972254 -1.77230249 2.49266325 4.34819143 1.43636604 10.70220602 2.65991556 9.3199669 2.66467959 9.03576687 10.77304198 28.94482917 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 300-22-1 9302 170466086 F A Medazomide O=C(N)C=1CCC(=O)N(C)N=1 Tox21_113915 -NCGC00160422-02 196723213 tox21-ror-cho-viability-p1 set3 4 0.0021131682 -16.29435576 17 0.70564424 1.0999999999 0.5592036432 0.1437470825 11.86918143 14.33636571 8.86472728 -2.11999542 4.90369149 1.70826758 7.54087239 -2.18070395 0.84795409 2.50995321 -3.13378924 -0.09556022 -4.8286298 6.1056596 12.41234125 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 151-06-4 65477 170465307 A Chlorphentermine hydrochloride Cl.Clc1ccc(CC(C)(C)N)cc1 Tox21_111804_1 -NCGC00259828-01 196721205 tox21-ror-cho-viability-p1 set3 -1.1 12.2716123211 -87.8209424896 -1.1787361999 -88.9996786895 1.4641 0.9721755128 3.161E-7 -0.37793599 -0.30127687 -13.99944341 1.17332524 0.26040965 -0.84529395 4.59063572 1.51721812 -3.21673388 -2.33931014 -21.0350274 -31.36582355 -54.68425398 -82.19672628 -79.88900598 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 77-47-4 6478 144209477 Hexachlorocyclopentadiene ClC=1C(Cl)=C(Cl)C(Cl)(Cl)C=1Cl Tox21_202279 -NCGC00255054-01 196720818 tox21-ror-cho-viability-p1 set3 4 7.78553376 2.06761248 -5.33434244 5.79848245 -2.20660311 0.28356098 -5.11594559 8.59079817 3.6222819 6.81925166 5.85627597 -0.15156496 1.61508223 -5.15391875 -1.91486933 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 23135-22-0 31657 144211473 A A Oxamyl O=C(C(=N\OC(=O)NC)\SC)N(C)C Tox21_301156 -NCGC00254642-01 196720822 tox21-ror-cho-viability-p1 set3 4 0.1677439906 10.094283592 -10.094283592 0 2.1876167061 0.7039321922 0.0365010348 -13.6800329 -15.07856966 -4.42741521 -3.24025956 -13.11738393 -9.47805759 -5.22584265 -3.20255858 0.63259724 -1.07540124 -0.30864241 -0.57559762 0.10758784 0.32380939 1.79261309 1.154E-9 2.5809999999E-9 5.772E-9 1.291E-8 2.886E-8 6.453E-8 1.443E-7 3.227E-7 7.215E-7 0.0000016129999999 0.000003607 0.000008066 0.000018039999999 0.000040329999999 0.00009018 6734-80-1 24180709 144211053 D Metam-sodium hydrate [Na+].O.O.O.[S-]C(=S)NC Tox21_300736 -NCGC00259779-01 196721201 tox21-ror-cho-viability-p1 set3 4 -3.75927522 -6.88290609 1.52045929 -4.04740751 -6.38763518 -12.75744412 -10.64280445 -12.20537473 -8.1930577 0.84664786 -11.64848239 -5.0263806 -5.3768243 1.30195864 0.6955302 1.1919999999E-9 2.6649999999E-9 5.959E-9 1.332E-8 2.98E-8 6.662E-8 1.49E-7 3.331E-7 7.449E-7 0.0000016659999999 0.000003724 0.0000083279999999 0.00001862 0.00004164 0.00009311 140-31-8 8795 144209428 F 1-(2-Aminoethyl)piperazine NCCN1CCNCC1 Tox21_202230 -NCGC00256517-01 196726662 tox21-ror-cho-viability-p1 set3 4 -0.85919518 0.89836983 0.57872903 1.85277772 0.64805862 -0.52073725 -0.3531884 -0.59148228 1.28703164 2.06723638 3.46985072 0.01680224 -0.8718861 -1.77480313 -1.19999989 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 562-10-7 11224 144213178 A A Doxylamine succinate O=C(O)CCC(=O)O.CN(C)CCOC(C)(c1ccccn1)c2ccccc2 Tox21_302861 -NCGC00257423-01 196726654 tox21-ror-cho-viability-p1 set3 4 -2.78367724 -0.54866319 0.05662415 -2.80466044 -4.63278329 2.00488659 1.68683789 1.92682682 3.69424415 2.11563708 3.32457788 2.42618268 -0.05894843 1.53950102 1.65637583 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 125-12-2 637531 144213863 A A Isobornyl acetate CC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C Tox21_303558 -NCGC00256329-01 196727071 tox21-ror-cho-viability-p1 set3 4 2.63327146 1.42919449 -4.71607105 1.21459155 -1.59236237 -5.43067514 1.38294817 -1.01912804 -5.1660139 -5.81654384 -1.08004272 -1.04383049 -4.13605931 2.24183892 1.91471708 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81-07-2 5143 144213267 A A Saccharin O=C2NS(=O)(=O)c1ccccc12 Tox21_302950 -NCGC00257324-01 196727075 tox21-ror-cho-viability-p1 set3 4 -1.04840995 -0.39076901 2.41112725 4.00959271 1.94202649 -1.27669026 1.13413575 -4.9893927 -9.82110465 -3.32792243 -3.97856326 5.9555766 0.79575443 0.97078041 3.63240965 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24851-98-7 102861 144213893 A A Methyl dihydrojasmonate COC(=O)CC1CCC(=O)C1CCCCC Tox21_303588 -NCGC00091163-03 196727077 tox21-ror-cho-viability-p1 set3 4 0.4327712569 4.5212580559 -3.0212580559 1.5 2.3331733767 0.3477756345 0.3244029551 0.98867494 0.09695155 0.3925087 -1.79627066 -7.18726043 -8.35104838 -5.71415255 0.84220933 -0.67941648 0.40348425 -0.13016962 5.3377561 0.9907187 1.70122242 0.89944517 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00257072-01 196727078 tox21-ror-cho-viability-p1 set3 4 0.0038570779 10.5493786439 -9.5493786439 1 1.4780888099 0.869057774 0.0012394623 -7.54114887 -6.55575507 -1.56713628 -0.77613312 -0.92900804 1.43625243 1.86706089 -0.3751849 -0.73670649 2.62218525 1.82668723 0.10457204 0.54011168 1.27024642 2.3243758 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 616-45-5 12025 144213576 A A 2-Pyrrolidinone O=C1CCCN1 Tox21_303259 -NCGC00256000-01 196727901 tox21-ror-cho-viability-p1 set3 4 1.73570488 7.61727952 -9.12193451 -7.7049663 5.21530385 -5.60985534 5.53895316 -4.69082279 0.8189264 -7.33704208 -7.3061701 -4.5698509 7.84966358 3.35732157 -5.14773596 1.22E-9 2.7279999999E-9 6.099E-9 1.3639999999E-8 3.0499999999E-8 6.819E-8 1.525E-7 3.41E-7 7.6239999999E-7 0.000001705 0.0000038119999999 0.0000085239999999 0.000019059999999 0.000042619999999 0.0000953 13031-43-1 83063 144212545 A A 4-Acetylphenyl acetate O=C(C)Oc1ccc(cc1)C(C)=O Tox21_302228 -NCGC00254911-01 196714258 tox21-ror-cho-viability-p1 set2 4 -1.83650209 0.79137004 -1.40494181 -3.64345303 -7.39317747 -8.87759813 -7.94238788 -1.41307504 -6.01880202 -8.63450361 -8.22768871 -2.63861665 -1.38042378 -7.61608393 1.19663911 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 35575-96-3 71482 144211326 A C Azamethiphos O=P(OC)(OC)SCN1c2ncc(Cl)cc2OC1=O Tox21_301009 -NCGC00160416-02 196713844 tox21-ror-cho-viability-p1 set2 4 5.3080386368 -13.20877584 3 -10.20877584 0.4 0.6818542517 0.0473657741 2.12747894 0.06322672 8.46036316 0.87844547 0.47090766 1.51925109 -1.25724884 0.4478568 -1.40829214 -0.46901605 -1.90506436 -2.76942124 -2.47228468 -6.08794592 -7.2573132 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3689-76-7 71821 170466499 A Chlormidazole Clc1ccc(cc1)Cn2c3ccccc3nc2C Tox21_111799_1 -NCGC00090702-02 196714253 tox21-ror-cho-viability-p1 set2 4 -1.64538648 0.15346088 1.55793178 -0.5926216 0.28007547 1.79864688 1.74482451 0.38256147 1.67535276 3.78766457 -0.38580986 5.90531371 8.23088828 4.82924844 6.38027442 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00254320-01 196714256 tox21-ror-cho-viability-p1 set2 4 60.8819825247 -21.0082161359 -2 -23.0082161359 0.9999999999 0.772831235 0.0135167173 0.89772769 -2.25144586 -2.91238752 -1.73061438 -0.43088772 -4.98956411 -4.8972465 -3.23485741 1.23248363 -5.72170245 -2.00819418 -2.23758936 -7.18185651 -9.02045366 -17.50684678 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 104795-68-8 13961743 144210753 A A CI-959 [Na+].CC(C)Oc1c3cc(ccc3sc1C(=O)Nc2[n-]nnn2)OC Tox21_300435 -NCGC00254850-01 196714268 tox21-ror-cho-viability-p1 set2 4 -4.28910416 -7.16463133 -4.20349364 -7.94780887 -4.65907708 -3.90040032 -4.45607495 -5.82795718 -4.73738751 1.15627624 -3.90397693 -1.96346709 -3.6681859 -2.56339756 -3.20393972 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-92-5 62341 144211265 A A (+/-)-alpha-Methylbenzyl acetate CC(=O)OC(C)c1ccccc1 Tox21_300948 -NCGC00254289-01 196714663 tox21-ror-cho-viability-p1 set2 4 2.13170593 -5.05210387 -2.01632321 -2.65196825 -1.73124348 -5.11289456 -9.15491381 -7.84857598 -5.16468301 -0.95465851 -1.83436154 -8.41576355 -0.78194545 2.47431353 -0.41285358 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-60-3 7615 144210869 A A N,N,N',N'-Tetrakis(2-Hydroxypropyl)ethylenediamine CC(O)CN(CC(C)O)CCN(CC(C)O)CC(C)O Tox21_300552 -NCGC00164603-04 196704242 tox21-ror-cho-viability-p1 set1 -2.1 21.1316824289 -100.8862494008 -0.505934266 -101.3921836668 2.3331733767 0.9833289512 1.65E-8 2.00349006 1.0533123 3.39935662 -0.19328221 -7.69125964 -5.44551971 -0.06850396 1.75274821 0.79564623 0.35364994 0.89271165 -7.64698193 -10.69393094 -51.20472808 -86.65998604 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 90729-43-4 3191 170465995 A Ebastine CC(C)(C)c1ccc(cc1)C(=O)CCCN2CCC(CC2)OC(c3ccccc3)c4ccccc4 Tox21_112225_1 -NCGC00259855-01 196705875 tox21-ror-cho-viability-p1 set1 4 10.7169079 9.93360247 4.73878385 -1.86916674 3.00392852 -3.13063707 0.53585104 6.00223105 1.13493199 20.42610357 2.47940024 0.43765235 -0.27607852 -0.02078318 -3.49524607 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.558E-8 1.466E-7 3.279E-7 7.3319999999E-7 0.0000016399999999 0.0000036659999999 0.000008198 0.00001833 0.00004099 0.00009165 50264-69-2 39562 144209504 A A Lonidamine O=C(O)c3nn(Cc1ccc(Cl)cc1Cl)c2ccccc23 Tox21_202306 -NCGC00259746-01 196705892 tox21-ror-cho-viability-p1 set1 4 1.2122765834 8.317415328 -10.317415328 -2 0.5 0.3152529323 0.3700007219 -10.5230121 -5.50231424 -12.52074846 -13.18117944 -6.35854789 -9.21142157 -7.47659075 -8.58904961 -6.35147828 -10.52485612 2.07816366 -3.08139675 -5.88792611 -6.23962113 -10.40725116 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.566E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.000008207 0.00001835 0.00004103 0.00009176 834-28-6 13266 144209395 A A Phenformin hydrochloride Cl.N=C(N)NC(=N)NCCc1ccccc1 Tox21_202197 -NCGC00344519-01 196704653 tox21-ror-cho-viability-p1 set1 4 6.51849335 2.17032262 5.00966717 5.9944351 -2.16616654 0.09005219 1.34982345 2.42546461 0.26880135 4.22199141 3.41157089 1.82760615 2.90719493 4.71193495 1.84466918 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 593-85-1 11650 170465438 F Guanidine carbonate NC(=N)N.N=C(N)N.O=C(O)O Tox21_113187_1 -NCGC00179274-03 196704244 tox21-ror-cho-viability-p1 set1 -3 29.8492948118 -45.2885102639 0.0713190199 -45.217191244 4.9549173134 0.9511757609 0.000007394 -1.1775798 1.91657133 3.68915043 -4.98093941 -0.16100084 0.39713676 1.14026691 0.69620476 -5.17462675 2.2127217 0.14760384 -0.72189213 0.71580632 -6.5825667 -40.59765937 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10310-32-4 5284629 170465999 D Tribenoside O[C@@H]2[C@@H](OCc1ccccc1)[C@H](O[C@H]2OCC)C(COCc3ccccc3)OCc4ccccc4 Tox21_110564_1 -NCGC00163953-03 196704254 tox21-ror-cho-viability-p1 set1 -3 61.130564862 -66.2520192823 0.9661369409 -65.2858823414 4.9549173134 0.9885672109 1.8E-9 0.06503891 0.11744261 2.26433887 0.71415741 2.10363211 2.9688827 1.4627249 2.5311087 -3.45426492 -1.00608101 0.90137516 2.06850789 0.24834124 -7.83413492 -57.36974789 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00090704-03 196704654 tox21-ror-cho-viability-p1 set1 4 -0.36345028 -2.50821182 0.25005012 -2.96280762 0.79177468 -4.30961664 -1.00318748 4.62739105 0.05167384 -0.95374972 -0.27735763 -2.2755251 -2.34564884 0.69735104 3.83691297 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00263652-01 196704663 tox21-ror-cho-viability-p1 set1 4 5.54749874 1.11541234 1.27352239 0.94049971 3.34453893 0.62142691 1.4879066 4.26749544 0.63361251 2.52543536 -0.66379729 -0.72490084 1.64936938 3.95209937 2.85501242 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 85371-64-8 55329 170465261 A Pinacidil monohydrate O.CC(C)(C)C(C)N/C(Nc1ccncc1)=N\C#N Tox21_110954_1 -NCGC00092329-06 196704667 tox21-ror-cho-viability-p1 set1 4 23.7101376556 -23.634713192 1 -22.634713192 2.7202212143 0.9497020971 0.0000087728 0.98887994 2.85176422 -0.16572728 1.43148357 -1.05821308 3.42197782 0.13716357 0.07427944 2.23089462 1.00391514 3.1732367 -0.0202285 -0.24735743 -8.67733945 -19.27892766 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 119431-25-3 60703 170466155 A Eliprodil OC(CN1CCC(CC1)Cc2ccc(F)cc2)c3ccc(Cl)cc3 Tox21_111194_1 -NCGC00183860-01 196704669 tox21-ror-cho-viability-p1 set1 4 -1.00868015 4.7094705 -1.30827685 2.24621482 -0.66377377 -0.15147399 -0.98075127 7.36989081 2.25876167 -0.62657122 -1.09687067 0.33586375 2.1200436 0.69954303 1.2377133 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7195-27-9 4047 144206878 A A Mefruside CC2(CN(C)S(=O)(=O)c1ccc(Cl)c(c1)S(N)(=O)=O)CCCO2 Tox21_113327 -NCGC00247708-01 196704674 tox21-ror-cho-viability-p1 set1 4 -0.54723281 -2.76479818 -3.71671302 -2.12101394 -4.03189844 1.45895331 2.06506479 -3.21219707 1.79376623 0.01012841 -0.38439071 0.65922387 -0.12085741 -1.84602426 1.19963692 1.3309999999E-9 2.9759999999E-9 6.6539999999E-9 1.488E-8 3.327E-8 7.4389999999E-8 1.663E-7 3.719E-7 8.3169999999E-7 0.00000186 0.0000041589999999 0.0000092989999999 0.00002079 0.00004649 0.000104 3372-02-9 21124389 144206415 Z Z N-Normorphine hydrochloride Cl.Oc1ccc2C[C@H]4NCC[C@@]35[C@@H](Oc1c23)[C@@H](O)C=C[C@@H]45 Tox21_112862 -NCGC00253666-01 196705067 tox21-ror-cho-viability-p1 set1 4 29.8492948118 -15.1560113159 0.5 -14.6560113159 4.5044702849 0.8525781599 0.0021261197 1.40899156 0.91337931 -1.84347625 -0.92016599 1.4230885 -1.63050046 0.34162831 3.31180908 0.21639873 -1.02371065 1.45064652 -0.66774491 1.33297931 -1.91560851 -12.63000943 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 393-11-3 94955 170466765 A A 3-Trifluoromethyl-4-nitroanilide O=[N+]([O-])c1ccc(N)cc1C(F)(F)F Tox21_113790 -NCGC00260171-01 196724004 tox21-ror-cho-viability-p1 set3 4 76.8805649772 -15.863443816 1.5 -14.363443816 4.9549173134 0.4521630588 0.2230485761 -4.10045169 4.01138982 1.52773817 0.25890801 4.03370479 1.06554722 -2.78001122 -0.76951762 -4.00262034 7.05344178 4.85822543 6.12292461 1.4281815 4.42316905 -11.13620318 1.179E-9 2.6359999999E-9 5.8929999999E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.294E-7 7.367E-7 0.0000016469999999 0.0000036829999999 0.000008236 0.00001842 0.000041179999999 0.00009208 171058-18-7 2734225 144209821 A A 1-Decyl-3-methylimidazolium chloride [Cl-].C[n+]1ccn(CCCCCCCCCC)c1 Tox21_202623 -NCGC00257692-01 196702391 tox21-ror-cho-viability-p1 set1 4 69.3576091162 -14.7208453319 1 -13.7208453319 4.9549173134 0.802746257 0.0076726494 0.69039023 3.02456253 -0.75725649 0.11168765 -1.18863955 1.96741427 0.55836796 0.05562 0.89952044 2.39729774 1.32505064 3.82956908 -1.53129693 0.99005276 -11.01737111 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.33E-7 7.446E-7 0.000001665 0.0000037229999999 0.000008324 0.00001861 0.00004162 0.000093069999999 2213-63-0 16659 144207336 B 2,3-Dichloroquinoxaline Clc1nc2ccccc2nc1Cl Tox21_200138 -NCGC00016372-07 196697852 tox21-ror-cho-viability-p1 set1 4 -1.26514667 0.08264426 -1.05060057 0.04654256 -1.21898441 -1.80072688 -3.02482708 2.42624105 0.66752643 2.48928027 2.42330109 -0.7238036 -1.98102037 2.2614003 6.34344581 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 121-19-7 5104 170465666 A 4-Hydroxy-3-nitrophenylarsonic acid O=[N+]([O-])c1cc(ccc1O)[As](O)(O)=O Tox21_110402_1 -NCGC00181788-01 196723598 tox21-ror-cho-viability-p1 set3 3 33.4914596268 43.6671830754 2.276207523 45.9433905984 4.9549173134 0.8649226398 0.0013864777 13.71888956 0.32832991 4.44428708 4.31307679 2.32088836 0.06485283 0.46235887 0.11085137 -3.03972604 3.12425004 1.50375064 2.2002937 0.32180505 5.91527536 38.48269854 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 111696-23-2 5485221 144206472 A B Cefetamet pivoxil HCl Cl.CC=3CS[C@H]2N(C(=O)[C@H]2NC(=O)C(=N\OC)\c1csc(N)n1)C=3C(=O)OCOC(=O)C(C)(C)C Tox21_112919 -NCGC00169145-02 196697841 tox21-ror-cho-viability-p1 set1 4 -2.83802966 1.32680933 -0.6338967 1.13994873 -0.57047759 -1.7177603 -1.09309145 0.39938406 -2.60495641 -1.62687866 -3.40303162 -2.90549996 -1.6678662 -0.83766678 0.83139609 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10338-51-9 159278 170465472 A Salidroside Oc2ccc(CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)cc2 Tox21_113565_1 -NCGC00249936-01 196698260 tox21-ror-cho-viability-p1 set1 4 -0.22514953 -3.53506763 0.1012087 2.21072795 0.54118749 2.0533488 0.77874627 -4.40400646 -2.72179605 -1.62206006 -2.97784443 1.20920319 1.85296691 1.5739085 -0.8186979 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10397-75-8 25229 170465965 F A Iocarmic acid O=C(Nc1c(I)c(c(I)c(c1I)C(=O)O)C(=O)NC)CCCCC(=O)Nc2c(I)c(C(=O)NC)c(I)c(C(=O)O)c2I Tox21_113712 -NCGC00179460-03 196698264 tox21-ror-cho-viability-p1 set1 4 1.16174698 1.65960197 2.87803301 -0.70275128 6.36806506 4.81167403 3.59653164 -0.54602662 7.48427041 0.23784068 2.67488392 -1.33448394 3.35756376 0.10359261 3.14168329 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2668-66-8 247839 170465194 A Medrysone CC(=O)[C@H]4CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3[C@@H](C)C[C@H]12 Tox21_110526_1 -NCGC00178580-03 196698279 tox21-ror-cho-viability-p1 set1 4 -1.95827616 -2.57928566 -4.1447065 1.11440098 -2.64900097 1.64017341 -3.44078756 -0.53391382 -3.54101254 -0.52258068 -2.45446015 0.08238007 -3.81488381 -2.312482 -0.52438728 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87-89-8 892 170465541 Z myo-Inositol O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O Tox21_111642_1 -NCGC00254191-01 196698672 tox21-ror-cho-viability-p1 set1 4 8.6349217992 4.471127936 -0.471127936 4 4.9549173134 0.3942292568 0.2992092378 -3.30927328 0.44903073 0.52527125 -1.32359229 -0.24256312 -2.39126368 2.05797876 0.43475971 -2.70496957 1.65689953 -2.2683498 1.689478 7.05467581 0.63285203 -5.32925937 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47248 9865514 144210523 A A CI-1018 Cc2cc3C(=N[C@@H](NC(=O)c1ccncc1)C(=O)N4CCc(c2)c34)c5ccccc5 Tox21_300203 -NCGC00163771-03 196698678 tox21-ror-cho-viability-p1 set1 4 61.0684034629 10.651345584 -0.651345584 10 1.4487170999 0.5739728542 0.1194117109 1.69505648 -5.12612132 -0.44260949 0.28565068 -0.14853981 0.63185362 -0.38816554 -2.61572078 -0.04599294 0.22212596 0.74129483 -0.33243214 2.58531443 1.71450777 6.97321315 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00254217-01 196699090 tox21-ror-cho-viability-p1 set1 4 34.3762428541 9.191532648 -2.691532648 6.5 4.0949729863 0.6018813872 0.0967694068 -0.76077615 -6.40961054 -5.42067812 -4.31500228 -0.46551979 -3.65508425 -0.09840829 -5.98998604 -1.00535529 -0.35877914 -2.67174046 -5.45101728 -0.17920297 2.75071674 6.59402776 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-55-8 7444 144210454 A A 2-Methyl-5-nitroaniline Cc1ccc(cc1N)[N+]([O-])=O Tox21_300134 -NCGC00183857-01 196725244 tox21-ror-cho-viability-p1 set3 1.2 1.1883218303 54.5981966263 -4.2169820119 50.3812146144 4.9549173134 0.9493835829 0.0000089866 -6.16350037 -6.22285539 -2.74405815 -6.73403001 -9.34748501 -3.03983544 3.97984681 -9.24743098 -3.44865889 -1.59261234 1.02092979 -5.01029015 3.45060011 52.48043189 44.86303134 5.899E-11 1.319E-10 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 108319-06-8 60021 144206857 A A Temafloxacin Fc1ccc(c(F)c1)N2C=C(C(=O)O)C(=O)c3cc(F)c(cc23)N4CC(C)NCC4 Tox21_113306 -NCGC00260353-01 196724825 tox21-ror-cho-viability-p1 set3 4 1.2346148788 -6.6311965159 2 -4.6311965159 2.3331733767 0.3534299139 0.317089243 -7.60933043 0.96856407 1.43243982 0.57687588 9.50936582 8.85366583 3.58404019 -3.37550348 3.8243015 -3.84131301 -5.50100029 -1.03064661 -7.51874985 -5.64233452 -3.56461268 1.1919999999E-9 2.6659999999E-9 5.96E-9 1.333E-8 2.98E-8 6.664E-8 1.49E-7 3.332E-7 7.45E-7 0.0000016659999999 0.000003725 0.00000833 0.00001863 0.000041649999999 0.00009313 14933-08-5 84703 144210005 A A N-Dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate [O-]S(=O)(=O)CCC[N+](C)(C)CCCCCCCCCCCC Tox21_202807 -NCGC00094532-06 196724828 tox21-ror-cho-viability-p1 set3 4 0.0220654597 5.829738192 -5.829738192 0 4.9549173134 0.3705675601 0.3012232158 3.23982218 -8.44072349 -9.13559134 -9.85811516 0.74313872 1.42837606 -3.56942679 1.77191761 0.61591765 1.35152196 1.77464545 0.40473028 -4.97579694 -0.77318726 3.36688978 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00260266-01 196724849 tox21-ror-cho-viability-p1 set3 1.4 0.0021333345 19.0201922559 -18.5201922559 0.5 1.92824246 0.7534929312 0.0186220303 -13.76682688 -6.38294682 -0.10995329 -2.69832341 -1.71075694 -0.86183926 0.38838575 1.22656526 -2.69032962 2.53491196 -0.10602507 1.28195693 4.40587517 5.62365582 -0.17096728 1.281E-9 2.865E-9 6.406E-9 1.4319999999E-8 3.203E-8 7.162E-8 1.602E-7 3.5809999999E-7 8.0079999999E-7 0.0000017909999999 0.0000040039999999 0.0000089529999999 0.000020019999999 0.00004476 0.0001001 111-24-0 8100 144209916 F Bc Pentane,1,5-dibromo- BrCCCCCBr Tox21_202718 -NCGC00090780-04 196725264 tox21-ror-cho-viability-p1 set3 4 -5.67209064 0 -5.18636719 -3.81632838 -5.77284237 1.09413067 2.07556807 -1.44306902 -8.2748573 -9.1844203 0.45231387 -0.27155415 -2.26417431 -3.80112834 -3.38471055 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00090816-05 196725665 tox21-ror-cho-viability-p1 set3 4 -0.71848812 -7.23658681 5.94321292 1.13914713 0.6073329 -1.13379908 -0.7790029 1.05657522 -3.90106614 -9.32909184 -0.04719736 -1.10394299 1.0934597 1.57083101 -1.56230956 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123-30-8 403 170466875 Z 4-Aminophenol Nc1ccc(O)cc1 Tox21_113477_1 -NCGC00167475-02 196725666 tox21-ror-cho-viability-p1 set3 2.2 29.8492948118 69.6576577076 2.7272840359 72.3849417435 1.826479391 0.9417441015 0.0000192905 -1.36470019 -0.68159739 1.11973804 0.54749791 2.46389922 3.12297761 1.33782334 0.90820209 -0.06073675 8.41824815 9.02196024 10.58760184 8.8918404 24.68285596 54.98605717 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 134-80-5 91442 170464650 A Diethylpropion hydrochloride Cl.O=C(C(C)N(CC)CC)c1ccccc1 Tox21_112479_1 -NCGC00159510-05 196725668 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -47.206766433 4.5 -42.706766433 4.9549173134 0.7694638776 0.0141725632 0.46907061 -0.63818923 -0.94103867 -0.63665094 6.16783859 5.14643709 -0.94033096 9.22090482 3.4206027 5.9255165 0.83642534 2.83525348 15.47727805 13.28180921 -37.80924377 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 129722-12-9 60795 170465392 A Aripiprazole Clc4cccc(N3CCN(CCCCOc1ccc2CCC(=O)Nc2c1)CC3)c4Cl Tox21_111728_1 -NCGC00096077-06 196726078 tox21-ror-cho-viability-p1 set3 4 0.0047307944 7.5 -0.5 7 1.6266150999 0.3243161191 0.3607847419 0.37989645 0.05169342 0.86018098 4.96345827 9.08228989 0.03961815 8.43963969 5.93337441 7.94909777 16.94626226 3.39403811 6.67442301 5.05284757 3.88418185 4.41518654 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 132539-06-1 4585 170465009 A Olanzapine CN1CCN(CC1)C2=Nc4ccccc4Nc3sc(C)cc23 Tox21_111556_1 -NCGC00090702-02 196724908 tox21-ror-cho-viability-p1 set3 4 -4.567817 3.54185319 4.30016512 4.39767402 4.73769318 -7.00764232 0.12471667 -1.94291736 0.94046074 2.73143106 -1.09398753 -1.2178124 1.19745345 2.39623894 4.66751055 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00357109-01 196724497 tox21-ror-cho-viability-p1 set3 4 1.62713388 -14.75101105 -15.37252458 -7.14728929 1.79235301 0.62375977 1.74554321 0.28201211 2.66702819 4.18615172 -0.40283672 -1.83233728 -9.36880347 -12.54185716 -7.38183792 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3118-97-6 5809936 251919754 A C.I. Solvent Orange 7 Cc3ccc(/N=N/c1c2ccccc2ccc1O)c(C)c3 Tox21_303836 -NCGC00256447-01 196707138 tox21-ror-cho-viability-p1 set1 4 8.6349217992 -16.361352964 -2.5 -18.861352964 0.5 0.4217410967 0.2510884708 -8.78986067 -7.03321877 0.06246819 1.07054104 -0.18077838 -5.07969594 -1.14054276 -1.73445208 -6.62677157 -10.1906216 -19.05112747 -1.06151041 -15.57249456 -9.71409318 -16.85974341 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-69-3 7103 144213051 A A 4-Phenylphenol Oc1ccc(cc1)c2ccccc2 Tox21_302734 -NCGC00256316-01 196707123 tox21-ror-cho-viability-p1 set1 4 -2.15585021 -6.23925041 -2.98886716 -2.73177071 1.97761202 -0.80376763 2.02380493 -2.24440783 0.10411239 -2.4244369 -2.40618439 -5.66949048 -1.13330039 -4.25500922 -5.47640561 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 71125-38-7 54677470 144213073 A A Meloxicam Cc3cnc(NC(=O)C2=C(O)c1ccccc1S(=O)(=O)N2C)s3 Tox21_302756 -NCGC00090704-03 196707125 tox21-ror-cho-viability-p1 set1 4 -6.64273247 -0.67729391 -6.09819119 -8.3371732 -12.88403828 -9.03613519 2.52229352 -9.71179701 -10.43775883 -8.30947559 -13.20647128 -0.10776458 -4.70773787 -3.41501157 -7.00755276 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00256743-01 196707127 tox21-ror-cho-viability-p1 set1 4 34.3762428541 11.3681948919 -8.3681948919 3 1.111 0.3340637887 0.336211542 -0.97015348 -7.79250038 -9.47492908 -5.38358808 -7.84223115 -9.22768961 -8.78671193 -16.14016241 -8.68765508 -6.78502701 -12.28733403 -0.00961286 -6.3804584 -3.47824968 1.36488156 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 255714-11-5 90592 144212870 A F 3,7-Dimethyloct-6-en-1-yl 2-methylbut-2-enoate C\C(C)=C\CCC(C)CCOC(=O)C(C)=CC Tox21_302553 -NCGC00256858-01 196707540 tox21-ror-cho-viability-p1 set1 4 -2.10373822 4.64643199 2.81749269 3.12811538 3.80334534 2.59080186 4.28905682 -2.38807717 -1.03135827 2.35156324 2.13425353 -0.94272234 0.44311001 3.2998687 3.79040718 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6378-65-0 22873 144212891 A Fc Hexyl hexanoate O=C(CCCCC)OCCCCCC Tox21_302574 -NCGC00256756-01 196707541 tox21-ror-cho-viability-p1 set1 4 33.1154664036 -17.1664701719 1 -16.1664701719 2.3331733767 0.360162182 0.3265811118 0.57906655 5.92938938 -0.44936487 -2.69691498 -8.26532295 1.13265203 8.97725924 1.46162974 1.29241864 6.83786698 -0.92220744 -2.8753567 0.56662224 -11.80539181 6.00267657 1.2589999999E-9 2.8149999999E-9 6.294E-9 1.4069999999E-8 3.1469999999E-8 7.036E-8 1.5729999999E-7 3.5179999999E-7 7.8669999999E-7 0.0000017589999999 0.0000039329999999 0.000008795 0.00001967 0.000043979999999 0.00009834 110617-70-4 20641892 144212772 Fns Tetronic 701 OCCOC(C)CN(CCN(CC(C)OCCO)CC(C)OCCO)CC(C)OCCO Tox21_302455 -NCGC00257365-01 196707552 tox21-ror-cho-viability-p1 set1 4 -2.1607861 2.15108496 0.92439159 3.32683122 0.31809626 0.43075435 2.36433286 1.31024655 0.67891873 0.4778262 -1.44590663 5.73629965 -0.71266465 1.40691688 1.00052064 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68515-48-0 590836 144213772 F F DINP branched CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C Tox21_303462 -NCGC00256766-01 196707553 tox21-ror-cho-viability-p1 set1 4 1.6809862 -6.0438416 1.04036804 0.38319989 2.4948463 -1.1716401 -0.60875616 3.82415051 2.46110435 1.10031394 -0.62870922 -0.48206265 5.1040336 0.95705122 0.34078171 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10032-15-2 24838 144212916 A D Hexyl 2-methylbutanoate O=C(OCCCCCC)C(C)CC Tox21_302599 -NCGC00259287-01 196706316 tox21-ror-cho-viability-p1 set1 4 -0.89897807 -0.5090392 0.32818679 -2.18827305 -0.03598521 -4.49074059 -1.59334735 -2.32154626 3.09881318 9.61201795 -2.70237385 0.29750973 -7.19813567 0.9480043 0.24817198 1.1999999999E-9 2.684E-9 6.002E-9 1.3419999999E-8 3.0009999999E-8 6.711E-8 1.501E-7 3.355E-7 7.5029999999E-7 0.0000016779999999 0.0000037519999999 0.0000083889999999 0.00001876 0.000041939999999 0.00009379 25564-22-1 117549 144208936 A A 2-Pentyl-2-cyclopenten-1-one O=C1CCC=C1CCCCC Tox21_201738 -NCGC00259660-01 196705911 tox21-ror-cho-viability-p1 set1 4 -1.85888304 -1.57769964 -1.31633809 -0.07283751 -1.25272643 -1.14293099 -3.07051081 1.64378117 -22.52984316 12.16662285 1.48623308 -4.23634851 1.85941328 -2.79755317 -0.05920616 1.202E-9 2.688E-9 6.01E-9 1.344E-8 3.005E-8 6.719E-8 1.5019999999E-7 3.359E-7 7.5119999999E-7 0.0000016799999999 0.0000037559999999 0.0000083989999999 0.00001878 0.00004199 0.0000939 122-99-6 31236 144209309 A A 2-Phenoxyethanol OCCOc1ccccc1 Tox21_202111 -NCGC00090773-04 196705923 tox21-ror-cho-viability-p1 set1 4 -1.17839339 0.01606971 0.16852646 -1.54457696 -2.20731876 -2.0923349 -2.88733833 0.12786683 -0.25463561 -14.6840662 0.57509356 -1.48655291 0.23523072 -1.72652788 -0.54014174 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00259168-01 196706314 tox21-ror-cho-viability-p1 set1 4 -7.08215673 -6.90330124 -4.99108485 -1.24063546 -0.21819428 -2.40313566 -3.05251372 -2.40738446 -5.01741498 0 5.34219784 -16.74970031 2.79968566 -10.79874629 3.71697758 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 21725-46-2 30773 144208817 A A Cyanazine Clc1nc(NCC)nc(NC(C)(C)C#N)n1 Tox21_201619 -NCGC00259826-01 196706321 tox21-ror-cho-viability-p1 set1 4 2.35525318 1.84692994 1.24429756 -0.28376949 -1.76185519 3.10374776 -2.72396147 0.23029373 0.50834513 0.47584148 4.31968374 0.8399075 -1.98879483 0.05085134 0.52503069 1.2089999999E-9 2.7039999999E-9 6.047E-9 1.352E-8 3.024E-8 6.761E-8 1.512E-7 3.381E-7 7.5589999999E-7 0.00000169 0.00000378 0.000008451 0.0000189 0.00004226 0.000094489999999 101-84-8 7583 144209475 A A Diphenyl oxide c1ccccc1Oc2ccccc2 Tox21_202277 -NCGC00091146-04 196702411 tox21-ror-cho-viability-p1 set1 -2.2 38.5707788719 -41.915001128 -2 -43.915001128 0.5 0.7949944636 0.0088143245 -0.16813225 -7.5542898 -4.2189598 -3.36965474 0.3113634 -0.07335929 1.01838252 -7.17328959 -9.67412983 -16.12553167 -16.48742836 -11.67050877 -15.91958842 -17.99089882 -33.26250094 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00091775-03 196702402 tox21-ror-cho-viability-p1 set1 -2.4 30.6378586933 -32.2764591879 3.5 -28.7764591879 1.24751 0.7934140433 0.0091000388 8.19605719 -0.20811207 2.51708719 1.36322897 3.0174338 3.58098002 7.83269936 0.60044089 2.30890221 6.58664494 2.70947545 -10.74356712 0.36925474 -19.52818915 -22.31371599 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00260520-01 196703220 tox21-ror-cho-viability-p1 set1 -2.4 30.6690184797 -26.905096412 2 -24.905096412 4.9549173134 0.8045318507 0.007220439 2.90064688 5.65530002 6.47152283 0.76726225 3.78428317 3.87063037 -11.57543601 7.33892369 2.28212164 1.88788437 1.29572403 0.86431191 0.99240732 -19.2998408 -25.75424701 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.0000036909999999 0.000008252 0.000018449999999 0.000041259999999 0.00009226 1640-39-7 15427 144210172 A Fc 2,3,3-Trimethylindolenine CC1(C)c2ccccc2N=C1C Tox21_202974 -NCGC00260584-01 196703245 tox21-ror-cho-viability-p1 set1 4 -3.65302481 -5.01957979 -1.46898444 5.61664519 -5.09454106 -12.53488504 -2.62628999 1.95771319 3.03732698 0.76851487 3.25432425 -7.4328451 -7.42997345 0.95027388 3.81813122 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49480 144210237 M M NTP Mix43 CT1 3-EQP Tox21_203039 -NCGC00357154-01 196703647 tox21-ror-cho-viability-p1 set1 4 0.71913814 2.77991568 4.57064255 -4.41542836 -7.03767296 0.1595897 6.88189692 3.79129557 4.63351627 6.06774131 5.4973224 0.10583267 1.49304955 -0.28674 0.81395797 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33693-04-8 36584 251919775 Terbumeton COc1nc(NCC)nc(NC(C)(C)C)n1 Tox21_303900 -NCGC00260131-01 196703648 tox21-ror-cho-viability-p1 set1 4 -5.14166677 -2.13111424 -4.73696609 -4.12088839 -3.68719664 -3.29082166 -0.3220139 -3.26077129 -6.76447935 -8.0595175 -0.68395442 -8.43501605 -6.36751135 0.26319751 -2.59696222 2.932E-10 6.5569999999E-10 1.466E-9 3.278E-9 7.331E-9 1.6389999999E-8 3.665E-8 8.196E-8 1.8329999999E-7 4.098E-7 9.1629999999E-7 0.0000020489999999 0.0000045819999999 0.00001024 0.00002291 81-49-2 6681 144209780 A B 1-Amino-2,4-dibromoanthraquinone O=C2c1ccccc1C(=O)c3c2c(N)c(Br)cc3Br Tox21_202582 -NCGC00094521-05 196703654 tox21-ror-cho-viability-p1 set1 4 54.4826732819 -28.204910188 4.5 -23.704910188 1.372261 0.7657612712 0.0151678673 7.00770292 9.55203353 -0.96532996 5.69379914 -0.18727208 3.2442615 5.42349202 3.85873995 7.64286084 2.94902089 6.01834884 0.94565857 -3.8510918 -3.17976729 -16.42075849 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00260363-01 196703655 tox21-ror-cho-viability-p1 set1 4 0.33392471 3.59075759 2.03140772 -0.77754352 -0.18872064 1.4977923 -0.12744533 1.61400461 1.41793118 2.01511547 -0.37560838 0.88504386 1.04987608 3.88364233 1.77810951 5.91E-11 1.322E-10 2.955E-10 6.608E-10 1.4779999999E-9 3.3039999999E-9 7.3879999999E-9 1.652E-8 3.694E-8 8.26E-8 1.847E-7 4.1299999999E-7 9.2349999999E-7 0.0000020649999999 0.000004618 25389-94-0 441374 144210015 Fns Kanamycin A sulfate O=S(=O)(O)O.O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CN)O[C@@H]3O[C@H]2[C@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O)[C@H](N)C[C@@H]2N Tox21_202817 -NCGC00260665-01 196703659 tox21-ror-cho-viability-p1 set1 4 -0.27300223 -4.97232046 1.11555137 -0.74489283 -5.3281887 -1.15714674 -1.04626529 -1.51766577 -0.28134567 -1.34666559 4.43934852 -0.81842268 0.09523485 1.65195199 0.61160246 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49561 144210318 M M NTP Mix31 AR2 7-EQC Tox21_203120 -NCGC00254996-01 196699936 tox21-ror-cho-viability-p1 set1 4 2.26241535 1.43020623 0.09620121 -1.71823756 -6.26886918 -1.16822565 -1.39387952 1.16331923 1.18539445 0.29767124 -4.44427807 -1.44407727 1.71578935 0.50576121 1.44625813 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 69377-81-7 50465 144211413 A A Fluroxypyr O=C(O)COc1nc(F)c(Cl)c(N)c1Cl Tox21_301096 -NCGC00254519-01 196699101 tox21-ror-cho-viability-p1 set1 4 3.37165226 1.23521962 0.71273334 -0.97436974 -1.92706944 -0.94718676 3.33447796 2.17007079 1.99381287 0.53147429 -0.797465 -2.46326595 1.20804374 0.84624363 7.99944516 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-86-3 31362 144210876 A A 2,4,7,9-Tetramethyl-5-decyne-4,7-diol CC(O)(C#CC(C)(O)CC(C)C)CC(C)C Tox21_300559 -NCGC00254712-01 196699110 tox21-ror-cho-viability-p1 set1 4 2.48014686 4.81035825 5.48324419 2.03568527 1.42415536 3.95305939 1.93443785 -0.69759124 1.30737509 2.06709662 -2.10433203 0.72709835 3.19533342 5.28666089 0.64240483 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 53112-28-0 91650 144211125 A A Pyrimethanil Cc2cc(C)nc(Nc1ccccc1)n2 Tox21_300808 -NCGC00254881-01 196699508 tox21-ror-cho-viability-p1 set1 4 -0.52317019 -2.80295714 0.0057668 3.16024553 -0.29817049 1.11574958 4.29336188 0.68317095 -2.43375255 -1.62526981 -2.47406034 3.44903452 -1.08557969 4.03952892 -0.78321123 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-12-6 8092 144211296 A A Methyl 2-octynoate O=C(C#CCCCCC)OC Tox21_300979 -NCGC00257889-01 196730588 tox21-ror-cho-viability-p1 set3 1.4 0.0239904426 24.393705208 -25.393705208 -1 2.3331733767 0.940469813 0.0000217067 -24.20453136 -23.28918403 -29.49475434 -18.75235137 -13.09183747 0 0 0 -1.7102852 0 0 0 -6.5496582 -3.45457303 0.7259164 1.166E-9 2.606E-9 5.8279999999E-9 1.303E-8 2.9139999999E-8 6.516E-8 1.457E-7 3.2579999999E-7 7.285E-7 0.000001629 0.0000036429999999 0.0000081449999999 0.00001821 0.00004073 0.00009106 591-87-7 11584 144207533 FNS Allyl acetate CC(=O)OCC=C Tox21_200335 -NCGC00257571-01 196730180 tox21-ror-cho-viability-p1 set3 4 -3.7804332 1.76965118 -0.73921928 0.98601235 -1.72523192 -3.41023959 -4.10924772 -5.01333996 -9.56168657 0 -0.21216962 -3.12353354 -5.78871831 -2.79833168 0.21276318 1.193E-9 2.667E-9 5.964E-9 1.333E-8 2.982E-8 6.6669999999E-8 1.491E-7 3.3339999999E-7 7.4539999999E-7 0.0000016669999999 0.0000037269999999 0.0000083339999999 0.00001864 0.00004167 0.00009318 554-95-0 11138 144207215 A A 1,3,5-Benzenetricarboxylic acid OC(=O)c1cc(cc(c1)C(=O)O)C(=O)O Tox21_200017 -NCGC00257629-01 196730583 tox21-ror-cho-viability-p1 set3 4 0.7836969953 -5.681806092 -1 -6.681806092 4.9549173134 0.5267337544 0.1728279042 -2.55581674 0.44788548 -0.44700469 0.57354401 -2.12538186 -2.16530207 -1.77769353 0.25076806 -3.80509223 -8.95270069 -8.92711847 -10.98483841 -4.0082454 -0.33178741 -0.82354744 1.198E-9 2.679E-9 5.992E-9 1.34E-8 2.996E-8 6.6989999999E-8 1.4979999999E-7 3.3489999999E-7 7.4889999999E-7 0.000001675 0.000003745 0.000008373 0.000018719999999 0.00004187 0.00009362 95-79-4 7260 144207273 A A 5-Chloro-2-methylaniline Nc1cc(Cl)ccc1C Tox21_200075 -NCGC00258543-01 196730585 tox21-ror-cho-viability-p1 set3 4 53.5973819499 -14.487310412 3 -11.487310412 1.8616924601 0.5950965947 0.1013906836 1.5260827 6.02032369 -0.7384633 4.52573588 0.57509882 0.30734319 0.98633243 6.33158239 6.55831928 6.97285349 1.55456544 0.90751588 1.71990761 -2.5407962 -7.90609201 1.164E-9 2.6039999999E-9 5.822E-9 1.302E-8 2.911E-8 6.509E-8 1.456E-7 3.255E-7 7.2779999999E-7 0.0000016269999999 0.000003639 0.000008137 0.00001819 0.00004068 0.000090969999999 1679-64-7 15513 144208188 FNS 1,4-Benzenedicarboxylic acid, monomethyl ester COC(=O)c1ccc(cc1)C(=O)O Tox21_200990 -NCGC00258595-01 196730590 tox21-ror-cho-viability-p1 set3 4 1.68961686 0.19782311 1.89393623 -1.24818862 3.35242546 2.974244 -1.25930301 1.18943403 3.49961254 1.87985896 3.9408685 0.69696317 0.10403837 2.34856942 -0.56899966 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008241 0.000018429999999 0.00004121 0.00009214 7320-37-8 23741 144208240 AC Fns 1,2-Epoxyhexadecane CCCCCCCCCCCCCCC1CO1 Tox21_201042 -NCGC00256588-01 196726512 tox21-ror-cho-viability-p1 set3 4 0.0038570779 -13.38027852 11 -2.38027852 1.6258976909 0.8010517842 0.0078837461 10.78729512 5.30749009 1.60375058 0.11509228 -2.14321047 -3.02497869 -1.25146351 0.57013155 -3.70017762 -0.18134034 1.23184636 -4.36588927 -3.89944816 -3.9716077 -4.9002321 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58-33-3 6014 144213195 A B Promethazine hydrochloride Cl.CN(C)C(C)CN1c3ccccc3Sc2ccccc12 Tox21_302878 -NCGC00257152-01 196726502 tox21-ror-cho-viability-p1 set3 4 -0.64032433 0.21704918 -4.63794912 -5.15319999 -4.799672 0.41431639 -0.19267861 0.74662878 -1.42382719 0.37895028 0.83696656 -0.32677114 1.97797751 0.52863624 -0.36822962 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 631-64-1 12433 144213608 F Ac Dibromoacetic acid BrC(Br)C(=O)O Tox21_303291 -NCGC00257427-01 196726505 tox21-ror-cho-viability-p1 set3 -2.4 15.3553036427 -24.7260350239 -1.5 -26.2260350239 1.826479391 0.9566101221 0.0000038664 -2.26080222 -2.61377168 -0.50266708 -1.50854259 -1.24481092 -5.27679491 -1.30865634 0.01226074 -0.18715895 -1.14064609 0.17819857 -10.03455916 -15.90695239 -21.05809589 -26.43836252 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 174185-16-1 10068207 144213666 A A FR167356 Clc1cccc(Cl)c1C(=O)Nc3cccc2c3oc(C)c2C(C)(C)O Tox21_303349 -NCGC00257353-01 196726508 tox21-ror-cho-viability-p1 set3 4 0.85960895 1.26351334 0.72761705 0.34355085 -0.06495523 0.19007857 0.05300284 1.43665001 0.29631533 4.3009968 1.03347071 4.31033695 0.25701288 1.70712171 1.31908061 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24295-03-2 520108 144213823 F Fc 2-Acetylthiazole CC(=O)c1nccs1 Tox21_303515 -NCGC00091088-05 196726923 tox21-ror-cho-viability-p1 set3 4 0.968854161 6.54991502 -4.54991502 2 0.7 0.3957477554 0.7038257532 22.70781406 1.29638997 -7.58491799 -10.04159585 -2.4961064 -2.58020883 -1.25010132 -2.39094326 -2.56121999 -1.67540754 -1.82389311 5.6242406 0.84030548 0.62304445 1.0471975 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00257272-01 196726927 tox21-ror-cho-viability-p1 set3 4 -0.75424888 -4.80379235 -3.34234113 1.43623737 2.32274127 -3.04771784 -5.00408848 1.73742464 0 -20.04741367 0 -4.58990279 1.24899686 -2.89078055 -1.09740433 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 115-99-1 61040 144213681 Ac F Linalyl formate O=COC(C)(CC\C=C(\C)C)C=C Tox21_303366 -NCGC00256777-01 196727328 tox21-ror-cho-viability-p1 set3 4 1.07178755 1.32023198 0.61253985 2.60354136 1.14888378 3.66639014 3.95611748 -1.28250205 -1.0072677 4.32829275 -0.28841985 -11.80297683 1.21959119 -1.75446486 -1.54903061 9.9269999999E-10 2.22E-9 4.963E-9 1.11E-8 2.4819999999E-8 5.5489999999E-8 1.241E-7 2.775E-7 6.2039999999E-7 0.000001387 0.0000031019999999 0.0000069359999999 0.00001551 0.00003468 0.000077549999999 9003-11-6 10154203 144212816 F A Pluronic F-127 OCCOC(C)COCCO Tox21_302499 -NCGC00257468-01 196727747 tox21-ror-cho-viability-p1 set3 4 30.6378586933 -17.5491582519 1.5 -16.0491582519 0.8999999999 0.7948917242 0.0089267324 2.98937755 2.06475093 2.30956249 1.61681283 0.22047299 0.36563948 1.31418441 -0.89368359 1.47096858 0.09567956 1.87192207 -8.07578247 -1.9103704 -7.72436633 -12.54096521 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 151506-44-4 132932 144213727 A A FR140423 CS(=O)c1ccc(cc1)c3cc(nn3c2ccc(OC)cc2)C(F)F Tox21_303416 -NCGC00257128-01 196707927 tox21-ror-cho-viability-p1 set1 4 4.24731734 -0.51469203 -0.53329788 5.30239081 2.1903436 3.19136344 6.0118867 6.37273108 1.54923132 3.15660348 3.50362679 4.07549562 5.26379484 1.70792218 0.78952298 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-04-0 7849 144213510 Fns 1-Chloro-2-bromoethane BrCCCl Tox21_303193 -NCGC00257429-01 196707522 tox21-ror-cho-viability-p1 set1 4 2.16234934 0.60909466 5.45265073 -1.97264035 1.1536668 3.75490534 0.86069717 4.1304045 2.01065572 -2.85275141 5.64285765 1.45294892 -2.51443909 -2.84476816 0.00999884 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 838-85-7 13282 144213712 A Z Diphenyl phosphate OP(=O)(Oc1ccccc1)Oc2ccccc2 Tox21_303401 -NCGC00256542-01 196707534 tox21-ror-cho-viability-p1 set1 -1.2 6.8589621897 -36.8641055246 0.5876604879 -36.2764450367 2.9022712143 0.9409839135 0.0000206808 -0.82061434 -1.17397879 1.66346448 -0.48485197 -1.35774039 0.14594962 2.92453379 3.21043154 0.32151035 1.87805407 -8.03939559 -20.29572801 -40.91296358 -40.90005721 -26.71791879 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 10108-64-2 24633 144213317 Cadmium chloride [Cd+2].[Cl-].[Cl-] Tox21_303000 -NCGC00091426-02 196707535 tox21-ror-cho-viability-p1 set1 4 2.37014436 0.33870769 -2.32522837 3.04337988 0.24245394 -1.28586488 0.98190317 1.68164403 1.55484241 2.66914484 0.99944248 -0.26616832 6.0074269 -8.44831632 2.37084488 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00257301-01 196707931 tox21-ror-cho-viability-p1 set1 4 0.0086349218 -6.184445296 -5.711456704 -11.895902 4.9549173134 0.32983044 0.3557123134 -5.46059076 -6.28146294 -5.71859902 -12.99093292 -11.24067598 -18.246585 -10.8594039 -15.52552737 -11.97139319 -14.60290265 -16.42947134 -7.22470513 -3.92621392 -9.11519133 -1.35362172 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 594-20-7 11660 144213846 Fns 2,2-Dichloropropane CC(C)(Cl)Cl Tox21_303540 -NCGC00258841-01 196708390 tox21-ror-cho-viability-p1 set2 4 54.8152787309 10.494409092 -1.494409092 9 2.9522712143 0.6596228208 0.0600731336 0.66166913 0.29062374 -3.21446251 -4.99534091 -1.30617743 -2.18954365 -0.16435888 1.0818384 -1.863989 -0.51848298 -1.64843838 -2.48561683 0.61749741 1.4079985 7.27550691 1.1859999999E-9 2.651E-9 5.929E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008286 0.00001853 0.000041429999999 0.00009264 4998-76-9 2723770 144208487 A A Cyclohexylamine hydrochloride Cl.NC1CCCCC1 Tox21_201289 -NCGC00256336-01 196707974 tox21-ror-cho-viability-p1 set1 4 -10.07252364 -8.12926196 -1.57511815 -7.03151549 -9.14707264 0.0782266 -0.71496193 0.68939353 -7.9002792 -0.06673996 -8.91478238 -7.52562945 0.81815939 -0.16622534 -1.33475429 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5949999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004246 0.00009493 98-96-4 1046 144213088 A A Pyrazinamide NC(=O)c1cnccn1 Tox21_302771 -NCGC00257351-01 196707975 tox21-ror-cho-viability-p1 set1 4 -1.10605517 0.79342135 -1.20247571 -9.38135875 -1.33342828 1.21508952 -0.26901306 0.81156087 -9.42622129 1.91064039 1.86569082 0.73909746 0.51857876 -0.48626371 1.54822513 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-71-4 33094 144213771 A A Methyl 2-methylbenzoate COC(=O)c1ccccc1C Tox21_303461 -NCGC00258839-01 196708373 tox21-ror-cho-viability-p1 set2 4 0.0307937104 11.163857728 -11.663857728 -0.5 1.9673362061 0.8416501323 0.0029047608 -6.90808399 -12.08887218 -14.71988144 -11.55996032 -4.96867919 -2.04215678 -3.79570737 1.37883654 1.34103319 -1.22172514 -1.37386007 -0.85091436 0.27875728 -1.38503536 1.41216731 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.961E-8 6.622E-8 1.481E-7 3.311E-7 7.4029999999E-7 0.000001655 0.000003702 0.0000082769999999 0.00001851 0.00004138 0.00009254 929-06-6 13578 144208485 A B 2-(2-Aminoethoxy)ethanol NCCOCCO Tox21_201287 -NCGC00259040-01 196708787 tox21-ror-cho-viability-p1 set2 4 -1.54308501 -1.05423107 -2.62452234 -4.45345329 -1.04046987 0.03567855 -1.49463349 -0.42986634 -0.15866624 -1.15835855 -0.96113038 -0.27211886 -1.31027376 -0.11066303 5.44766929 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 839-90-7 13286 144208687 A A Tris(2-hydroxyethyl) isocyanurate OCCN1C(=O)N(CCO)C(=O)N(CCO)C1=O Tox21_201489 -NCGC00259192-01 196708789 tox21-ror-cho-viability-p1 set2 4 1.45654594 -0.78612848 -0.18125639 0.82473034 5.40787449 -0.16245141 0.99081929 1.22080854 0.9203219 -0.37523778 1.6453664 5.92006795 7.79907987 4.44005137 0.42127166 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.593E-8 1.474E-7 3.297E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009214 17689-77-9 87244 144208841 A A Ethyltriacetoxysilane O=C(C)O[Si](OC(C)=O)(OC(=O)C)CC Tox21_201643 -NCGC00259641-01 196708795 tox21-ror-cho-viability-p1 set2 4 -5.62003561 -5.86564851 -4.35084415 -0.5501264 -0.05742916 0.47407034 -0.25016024 -2.32725287 -3.80966841 -0.19214642 -2.7377178 -3.45400105 -0.36887009 -2.23816918 0.51407979 1.182E-9 2.6429999999E-9 5.91E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.304E-7 7.387E-7 0.0000016519999999 0.0000036939999999 0.000008259 0.000018469999999 0.000041299999999 0.00009234 113-92-8 5284366 144209290 A A Chlorpheniramine maleate [O-]C(=O)\C=C/C(=O)O.Clc1ccc(cc1)C(CC[NH+](C)C)c2ccccn2 Tox21_202092 -NCGC00259370-01 196708804 tox21-ror-cho-viability-p1 set2 4 6.9078176197 5.242079504 -0.742079504 4.5 2.7202212143 0.5622329604 0.1278351297 -5.20173292 -0.17913117 -1.70556072 -3.06547212 4.24344888 -0.60439351 -0.22137129 0.03335454 0.48834444 -0.66374297 -0.68672531 3.16384117 4.06836471 4.11461697 5.44598565 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.9669999999E-8 6.635E-8 1.484E-7 3.318E-7 7.4179999999E-7 0.000001659 0.000003709 0.000008294 0.00001855 0.000041469999999 0.00009273 108-01-0 7902 144209019 A F Dimethylaminoethanol CN(C)CCO Tox21_201821 -NCGC00356968-01 196704059 tox21-ror-cho-viability-p1 set1 4 0.78294525 0.57545286 3.81491253 -0.43055526 1.50545437 -4.40337935 -9.16303816 -0.04480485 3.72250958 0.14631854 3.84128996 -0.20054787 -5.46836026 0.61343991 -1.26529037 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3648-21-3 19284 251919698 A Diheptyl phthalate O=C(OCCCCCCC)c1ccccc1C(=O)OCCCCCCC Tox21_303892 -NCGC00259938-01 196705690 tox21-ror-cho-viability-p1 set1 4 9.6688394415 -19.895040576 5 -14.895040576 3.0654483358 0.8189814544 0.0052053965 5.62968525 -1.23531283 2.66241778 5.51663788 5.32189285 2.19788444 5.11792049 3.16554411 9.19902942 14.07807673 0.50586292 -1.46952091 -15.04334348 -11.49369641 -16.57920048 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.365E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.00004117 0.00009206 75-47-8 6374 144209587 A Fns Iodoform IC(I)I Tox21_202389 -NCGC00260087-01 196704075 tox21-ror-cho-viability-p1 set1 -2.1 62.251265086 -129.1341963616 -1.0207341968 -130.1549305584 2.5334283767 0.9660032487 9.841E-7 2.710894 3.47119957 2.39639886 -0.79537052 -0.20000147 0.87077287 0.50086504 -10.71124069 -0.01386671 -1.94490753 -0.50413351 -1.6763647 -19.39334074 -31.48681022 -98.60222012 1.198E-9 2.6779999999E-9 5.988E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.485E-7 0.0000016739999999 0.000003742 0.000008368 0.00001871 0.00004184 0.000093559999999 11099-03-9 144209736 M M C.I. Solvent Black 5 Tox21_202538 -NCGC00066947-05 196704067 tox21-ror-cho-viability-p1 set1 4 -1.3740302 2.92818782 0.94093365 2.87410194 -6.52486636 1.13145609 5.0131669 5.47729606 4.01335831 3.04537982 5.0754089 2.45267789 1.23031128 0.04187645 -1.2419722 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00257902-01 196704069 tox21-ror-cho-viability-p1 set1 4 -3.13507057 5.06773186 0.55590772 4.16127534 2.10321516 -0.48174532 -4.08222143 0.97386626 1.91705831 -0.54424536 4.53777964 0.89614407 -1.14912595 -0.25714341 -0.65878191 1.187E-9 2.6549999999E-9 5.937E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.3189999999E-7 7.421E-7 0.000001659 0.0000037099999999 0.000008297 0.00001855 0.000041479999999 0.00009276 633-65-8 12456 144207546 A A Berberine chloride [Cl-].COc2ccc1cc3c4cc5OCOc5cc4CC[n+]3cc1c2OC Tox21_200348 -NCGC00182034-01 196704469 tox21-ror-cho-viability-p1 set1 4 -0.38821501 -0.19296232 4.78109079 -1.0039038 0.4222835 0.23272043 0.34389589 0.45381049 -0.31766983 -0.38336535 -0.54234121 0.87369542 0.35884468 0.10827239 -2.10100438 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6809-52-5 53384398 144206513 F A Teprenone C/C(C)=C\CCC(\C)=C\CCC(\C)=C\CCC(C)=CCCC(C)=O Tox21_112960 -NCGC00253707-01 196704470 tox21-ror-cho-viability-p1 set1 4 -3.4397705 -2.06155566 -3.09985877 -2.59287889 0.25392754 -0.39853207 0.39411643 2.41872714 1.88944407 -3.85094981 -4.87660863 3.43760929 -3.04988137 -2.00011547 -3.68443094 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27469-60-9 152932 170466736 A A 1-(Bis(4-fluorophenyl)methyl)piperazine Fc1ccc(cc1)C(c2ccc(F)cc2)N3CCNCC3 Tox21_113827 -NCGC00016069-13 196704472 tox21-ror-cho-viability-p1 set1 4 1.43974209 -0.4989023 -2.06050061 -1.62546342 0.35179011 -0.62606647 -1.79621211 0.70294734 0.43143426 -2.31197228 -3.98191445 -4.20564974 -0.31196852 -3.97922771 -0.55973274 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59803-98-4 2435 170464941 A Brimonidine Brc2c3nccnc3ccc2NC1=NCCN1 Tox21_110299_1 -NCGC00162232-06 196704477 tox21-ror-cho-viability-p1 set1 4 0.15841199 -0.21725211 0.43363137 -6.67898755 -0.10370094 -5.54316846 -5.45955799 -2.55295545 1.98543883 -0.10729615 -3.8179589 -5.36769327 -2.48513504 -1.96796359 -3.81674966 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1021868-76-7 23681233 170466485 A Lorglumide sodium [Na+].Clc1ccc(cc1Cl)C(=O)NC(CCC([O-])=O)C(=O)N(CCCCC)CCCCC Tox21_110312_1 -NCGC00253639-01 196704479 tox21-ror-cho-viability-p1 set1 4 1.02570602 4.5830168 2.51980918 1.17220994 1.74333025 6.65684539 0.18204807 9.03577511 4.44228221 1.46810527 3.11661595 1.46314497 2.88860712 0.09297264 0.69877493 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2380-94-1 75421 170466680 A A 4-Hydroxyindole Oc2cccc1nccc12 Tox21_113766 -NCGC00015799-06 196704480 tox21-ror-cho-viability-p1 set1 4 23.7101376556 -16.530147712 0.5 -16.030147712 1.331 0.7899612219 0.0098973512 -0.25659616 2.1605269 -2.13817416 2.60345345 -0.11874804 3.66464169 3.08877511 -2.78195098 0.63744199 0.05197186 0.00482219 -1.62384186 -3.57000588 -5.62906575 -11.69178976 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62-68-0 65341 170466149 A Proadifen hydrochloride Cl.CCN(CC)CCOC(=O)C(CCC)(c1ccccc1)c2ccccc2 Tox21_111260_1 -NCGC00262920-01 196704487 tox21-ror-cho-viability-p1 set1 4 0.0734391 0.12878034 5.02817289 -0.80904843 0.10886391 2.98885756 0.34678155 3.44442336 1.67240444 -0.94315353 -1.70223018 5.89891852 0.04250122 7.34564362 3.935036 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1939-27-1 137264 170466712 A A 3-Trifluoromethylisobutyranilide O=C(Nc1cc(ccc1)C(F)(F)F)C(C)C Tox21_113916 -NCGC00091596-05 196704492 tox21-ror-cho-viability-p1 set1 4 2.88472298 0.12229989 -1.32296109 2.60928347 -0.31034653 -1.10230625 1.81792797 1.48046373 -1.42803385 0.75231074 -1.40221539 -2.59540201 2.24823853 2.13172322 -0.71433528 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-11-4 5281 170465630 A Octadecanoic acid O=C(O)CCCCCCCCCCCCCCCCC Tox21_111154_1 -NCGC00186014-02 196725943 tox21-ror-cho-viability-p1 set3 4 -5.73453397 -2.56583098 1.48560382 -1.65549871 -2.72649488 1.25167504 -2.54062198 -0.29166003 -4.89192222 0.3873169 0.23499706 -0.74251496 -0.65768419 -0.70653872 0.0828861 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 144598-75-4 9802545 170464996 A Paliperidone CC=5N=C1[C@H](O)CCCN1C(=O)C=5CCN2CCC(CC2)c4noc3cc(F)ccc34 Tox21_113609_1 -NCGC00164168-02 196730593 tox21-ror-cho-viability-p1 set3 4 1.12692769 -1.75040607 -10.55732956 0.36883792 1.33871162 0.44196875 1.03948559 0.58626474 2.45692573 1.21126752 -0.22398493 -0.94320076 0.44894345 -1.4326815 -0.78055542 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00255556-01 196710426 tox21-ror-cho-viability-p1 set2 4 0.60621929 2.51404732 -1.69579193 1.76850313 0.37608585 3.09351445 0.00249469 2.77805929 0.00208014 -0.74419469 -0.43051333 2.05160219 2.59734644 2.69316854 2.25089415 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 129-06-6 16204922 144211862 A A Sodium warfarin [Na+].CC(=O)CC(C1=C([O-])c2ccccc2OC1=O)c3ccccc3 Tox21_301545 -NCGC00016000-13 196708780 tox21-ror-cho-viability-p1 set2 -2.1 62.5631710251 -96.6000392588 -4.53567657 -101.1357158288 3.9899729863 0.8912411845 0.0004876034 5.22569177 -0.25648294 2.22409025 2.9129996 -0.56867724 -0.33810021 -0.55952531 -9.48491292 -14.3608633 -21.17658484 -13.14291417 -6.07387176 -1.81211416 -20.80819412 -85.13107393 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00259597-01 196709187 tox21-ror-cho-viability-p1 set2 4 -6.48675787 -2.15631336 -0.11306573 -4.33923525 -0.08025789 -1.44325608 -6.91987176 -0.47964797 -0.42542656 -0.23727741 -0.68926667 -0.78228408 0.64669788 -1.77771202 -0.68289628 1.19E-9 2.661E-9 5.95E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003719 0.000008315 0.00001859 0.00004157 0.000092959999999 109-55-7 7993 144209246 AC F 3-(Dimethylamino)propylamine NCCCN(C)C Tox21_202048 -NCGC00256289-01 196710017 tox21-ror-cho-viability-p1 set2 -2.2 60.7577547203 -70.7521093313 1.9672023765 -68.7849069548 3.1924983358 0.9622379305 0.0000017774 5.89680186 6.65223508 6.22623886 2.6613765 3.4369916 2.04335339 0.57762154 -0.30007643 -0.44755954 0.13823345 -0.76976831 -0.96412144 -4.66517834 -12.6968612 -54.00371739 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 54527-84-3 41114 144212149 A A Nicardipine hydrochloride Cl.CC=2NC(C)=C(C(C=2C(=O)OCCN(C)Cc1ccccc1)c3cccc(c3)[N+]([O-])=O)C(=O)OC Tox21_301832 -NCGC00256055-01 196710429 tox21-ror-cho-viability-p1 set2 4 -4.81560746 -12.24008541 -3.80238111 -2.60580744 -2.35007091 -6.46609933 -0.62171032 -5.33060847 -0.55185161 -3.11968027 -1.51953888 -3.82174153 -4.08079654 -5.79422763 -3.02106329 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23235-61-2 90038 144212007 A A 2,2'-(Oxydimethanediyl)bis(2-ethylpropane-1,3-diol) OCC(COCC(CO)(CC)CO)(CC)CO Tox21_301690 -NCGC00256175-01 196710445 tox21-ror-cho-viability-p1 set2 4 4.41603068 1.59465782 0.73854323 0.50351288 2.49133998 0.75540841 1.46403108 1.23928697 -0.81710639 -0.54367757 0.88963733 0.44366795 2.78639693 2.83592893 0.39004315 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-33-8 66636 144212316 A A Ethyl 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate O=C(OCC)C=1CC(=O)N(N=1)c2ccccc2 Tox21_301999 -NCGC00258668-01 196711259 tox21-ror-cho-viability-p1 set2 4 -4.23013849 -7.06741925 -24.7342421 -13.24668209 -4.39746707 -3.60635164 0 -11.9596807 0 0 -5.81372043 -14.05571067 0 -13.90026916 -21.6558237 1.1859999999E-9 2.6519999999E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001853 0.000041439999999 0.000092669999999 458-37-7 969516 144208314 A A Curcumin Oc1ccc(cc1OC)/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2 Tox21_201116 -NCGC00255873-01 196710453 tox21-ror-cho-viability-p1 set2 4 61.130564862 -10.827270636 1.5 -9.327270636 2.6384283767 0.732667312 0.026168681 3.7702697 2.95238859 1.13471174 0.92386809 2.08460919 0.78015793 -0.73207124 -0.61144408 1.95765731 0.78523726 1.90918008 1.4169701 -0.61256077 -1.04380529 -6.52272553 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23505-41-1 31957 144211764 A A Pirimiphos-ethyl CCN(CC)c1nc(C)cc(OP(=S)(OCC)OCC)n1 Tox21_301447 -NCGC00259474-01 196709627 tox21-ror-cho-viability-p1 set2 4 69.0781761974 12.1704417639 -0.6704417639 11.5 3.6772481694 0.6326498679 0.0762672598 1.30567685 0.60647282 -3.6184384 -5.55870147 -0.51681825 -0.16549228 -1.39388664 -1.13644082 0.21322691 0.27649763 -2.33519922 0.03754614 1.30805236 0.75488602 8.45659191 1.187E-9 2.6549999999E-9 5.937E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.3189999999E-7 7.421E-7 0.000001659 0.0000037099999999 0.000008297 0.00001855 0.000041479999999 0.00009276 121-33-5 1183 144209123 A A 4-Hydroxy-3-methoxybenzaldehyde Oc1ccc(cc1OC)C=O Tox21_201925 -NCGC00259547-01 196709638 tox21-ror-cho-viability-p1 set2 2.2 54.98170782 50.2580552666 -1.311427794 48.9466274726 4.4494702849 0.9890285791 1.4E-9 -0.10639904 -2.19014396 0.17045162 -1.47006859 -1.66153848 -1.48896642 0.43538248 -2.72505283 -0.60649781 -2.61332738 0.69504674 -2.85553062 -2.86692155 10.47210408 44.55551713 1.189E-9 2.6589999999E-9 5.945E-9 1.3289999999E-8 2.9719999999E-8 6.647E-8 1.486E-7 3.323E-7 7.4309999999E-7 0.000001662 0.000003716 0.0000083079999999 0.000018579999999 0.00004154 0.00009289 66-71-7 1318 144209196 A A 1,10-Phenanthroline c1ccnc3c1ccc2cccnc23 Tox21_201998 -NCGC00255323-01 196710049 tox21-ror-cho-viability-p1 set2 4 1.44173447 3.95389186 1.71458369 1.02937209 0.73500706 4.57109479 0.81712438 -0.31561943 -0.32592223 0.04274003 1.17559822 -0.33069692 0.57630505 2.84370662 5.79477909 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1896-62-4 637759 144211915 A A Methyl trans-styryl ketone CC(=O)/C=C/c1ccccc1 Tox21_301598 -NCGC00255647-01 196710465 tox21-ror-cho-viability-p1 set2 -1.1 21.6899429044 -84.1694265556 1.5254271149 -82.6439994407 4.0949729863 0.9833698047 1.63E-8 0.4100722 7.66795159 5.17802556 4.69750087 5.01500856 2.2505134 -0.03337295 0.19991567 -0.7536289 0.46834052 -1.89618359 -6.64553536 -28.53291507 -82.07777726 -77.2496798 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1594-56-5 15325 144211780 A A 2,4-Dinitrophenyl thiocyanate N#CSc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O Tox21_301463 -NCGC00357146-01 196712320 tox21-ror-cho-viability-p1 set2 -2.4 68.5896218971 -39.2824979679 2.5 -36.7824979679 4.9549173134 0.8656758989 0.001351876 5.05720032 -3.08482818 -2.59593942 6.34576507 3.3335254 3.83487158 6.44599981 6.26211804 0.34470435 5.09186163 1.26311464 0.94053897 -1.98098144 0.17906909 -29.40208164 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-75-8 66645 251919968 F 2,4-Dichlorobenzoyl chloride O=C(Cl)c1ccc(Cl)cc1Cl Tox21_303889 -NCGC00159479-05 196712711 tox21-ror-cho-viability-p1 set2 4 -0.9072428 1.88379745 0.96528809 -0.11546285 2.13146298 0.2199569 0.2641969 0.52658577 -0.72954649 -0.15879032 2.43759532 0.15415077 2.36366036 -0.75231428 1.90297738 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 93-60-7 7151 170465506 A Methyl nicotinate COC(=O)c1cccnc1 Tox21_111702_1 -NCGC00260643-01 196712309 tox21-ror-cho-viability-p1 set2 -3 1.1883218301 -30.9837116439 -4 -34.9837116439 4.9549173134 0.6427354266 0.1331857424 0.37480518 -1.66126323 -2.06474234 -0.17425313 -2.07085326 -22.46043661 -4.91349724 -1.70639365 -4.67793381 -7.637043 -32.48642637 -0.3056956 -11.68662833 -3.12339362 11.56241926 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49539 144210296 M M NTP Mix84 ER AR1 18-EQC Tox21_203098 -NCGC00260334-01 196712316 tox21-ror-cho-viability-p1 set2 4 3.4038791291 14.810992496 0.189007504 15 3.9294729863 0.8815586229 0.0007530445 2.8663258 0.796749 0.33544803 1.23434827 0.62880468 -0.23271299 -0.60669131 1.0142872 -0.04167442 0 0.82414321 -3.17582708 -0.28735841 3.10445956 15.81924486 7.244E-11 1.62E-10 3.622E-10 8.0979999999E-10 1.8109999999E-9 4.0489999999E-9 9.054E-9 2.025E-8 4.5269999999E-8 1.0119999999E-7 2.264E-7 5.0619999999E-7 0.000001132 0.000002531 0.0000056589999999 3564-09-8 5359885 144209986 Fc Ponceau 3R [Na+].[Na+].[O-]S(=O)(=O)c2cc3cc(c(O)c(/N=N/c1cc(C)c(C)cc1C)c3cc2)S([O-])(=O)=O Tox21_202788 -NCGC00160655-03 196712723 tox21-ror-cho-viability-p1 set2 -2.4 14.9600854925 -21.536860464 -2 -23.536860464 1.98874246 0.7977383513 0.0083594511 -2.85593444 -2.71632558 -2.25753306 -5.52117994 -4.71489486 -2.23447752 -4.86001343 -6.46744574 3.26919212 2.51228094 2.92933162 -4.05440646 -9.19408584 -14.71594718 -22.94738372 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3810-35-3 19646 170466466 A Tenonitrozole O=C(Nc1ncc(s1)[N+]([O-])=O)c2cccs2 Tox21_111962_1 -NCGC00274065-01 196713129 tox21-ror-cho-viability-p1 set2 4 0.0084126743 16.343020284 -10.843020284 5.5 0.2 0.5679582704 0.138140052 -7.28720205 -0.44429217 -7.36918357 -1.32588034 -1.2454415 -0.90713318 0.24776159 0.49711024 -0.0432754 0.66309919 -1.00617261 1.29696601 0.19826723 6.20654449 -0.48318035 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 638-94-8 5311066 170464832 A Desonide OCC(=O)[C@@]54OC(C)(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_112603_1 -NCGC00091210-02 196713142 tox21-ror-cho-viability-p1 set2 4 -3.13824753 -3.02192242 0.09957483 -0.24340744 -5.44683411 -3.55143998 -4.2259245 -4.9808612 -4.49215672 -5.23465485 -1.76142596 0.17337386 -0.53570481 -1.32024856 -4.49258144 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00253729-01 196713146 tox21-ror-cho-viability-p1 set2 4 -1.72752782 -0.17945713 1.32590633 -1.84995363 2.27042985 -0.56330989 1.00675915 2.94751243 3.75824639 -1.87079986 -1.44883197 3.82582622 3.71235779 -0.56937353 -1.62438716 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 517-23-7 10601 170466666 F F 3-Acetyldihydro-2(3H)-furanone CC(=O)C1CCOC1=O Tox21_113848 -NCGC00182984-01 196713151 tox21-ror-cho-viability-p1 set2 4 7.65661965 2.22277834 7.14681328 1.93720251 3.67574965 1.64439469 2.68329535 -0.02814893 2.40549482 0.63843575 2.06082923 0.06128683 0.05574346 0.12712709 -0.42960882 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27877-51-6 34051 144206849 A A Tolindate Cc1cc(ccc1)N(C)C(=S)Oc2ccc3CCCc3c2 Tox21_113298 -NCGC00263480-01 196713566 tox21-ror-cho-viability-p1 set2 4 -1.70387741 -1.69299112 -6.22549837 0.82318045 -0.6543489 -0.64072271 0.06689807 1.21212948 2.37495845 0.4848257 1.18658723 0.10746546 -1.49628574 -2.90375339 -2.02942177 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71-58-9 6279 170464622 A Medroxyprogesterone acetate CC(=O)[C@@]3(OC(C)=O)CC[C@H]2[C@@H]4C[C@H](C)C1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_111319_1 -NCGC00254937-01 196713959 tox21-ror-cho-viability-p1 set2 4 -1.27219193 3.36078784 -0.03014701 -0.94127693 1.78786222 0.22795484 2.16579698 -0.49341437 2.13536204 0.02728478 2.41002564 0.227887 0.01998541 -2.07281806 -1.27589645 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1112-39-6 66187 144211352 FC Dimethoxydimethylsilane C[Si](C)(OC)OC Tox21_301035 -NCGC00254889-01 196713966 tox21-ror-cho-viability-p1 set2 4 -3.27034667 0.35105493 -2.28640744 -3.32285359 -3.96881855 -3.74368802 -0.57044143 -11.52287312 -12.55526566 -9.41357765 -3.5392975 -2.96603855 -0.82600307 0.25484713 0.16707321 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-17-1 8096 144211304 A A Bis(2-carboxyethyl) sulfide OC(=O)CCSCCC(O)=O Tox21_300987 -NCGC00254530-01 196713969 tox21-ror-cho-viability-p1 set2 4 0.30158036 -1.36299849 -1.70924895 -0.54399505 0.30440037 0.76603878 0.86462642 0.10590159 -2.87503076 -0.36572661 0.12767798 -2.1105999 -0.41683088 -1.10264989 -0.74849363 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 375-85-9 67818 144210933 Perfluoroheptanoic acid FC(F)(C(F)(F)C(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300616 -NCGC00259903-01 196706362 tox21-ror-cho-viability-p1 set1 -2.2 54.2611240406 -40.7598432039 0.9030640649 -39.856779139 3.1924983358 0.7719706245 0.0135789885 -1.72867737 -0.0172023 0.41028728 -4.06564636 0.69045056 -2.72563738 1.7389416 -1.28025975 0.11138674 17.83615668 0.15195733 -1.02055873 0.58248279 -11.6502149 -33.13320267 1.1759999999E-9 2.63E-9 5.8799999999E-9 1.315E-8 2.94E-8 6.574E-8 1.4699999999E-7 3.2869999999E-7 7.35E-7 0.0000016439999999 0.0000036749999999 0.000008218 0.000018379999999 0.00004109 0.00009188 5153-25-3 107377 144209552 A A 2-Ethylhexylparaben Oc1ccc(cc1)C(=O)OCC(CC)CCCC Tox21_202354 -NCGC00254730-01 196719643 tox21-ror-cho-viability-p1 set3 4 43.2771256911 -10.303247332 4 -6.303247332 3.0654483358 0.4253589149 0.2491369517 3.1995284 3.38398405 3.05786873 -2.14473684 7.91169016 6.97508752 7.12900442 -0.86300071 6.50790974 7.1896428 2.58955145 1.06788376 5.91574342 -1.25508596 -5.25270611 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 12427-38-2 3032581 144211143 Ac Maneb [Mn+2].[S-]C(=S)NCCNC(=S)[S-] Tox21_300826 -NCGC00254563-01 196719642 tox21-ror-cho-viability-p1 set3 4 0.0121971512 17.334146328 -15.834146328 1.5 0.4 0.7534517264 0.0186181283 -12.0820238 -13.19512194 -5.83233378 -2.54967043 -4.38171371 -9.20218876 -4.7695302 -0.23210108 -0.63077862 -1.48585039 1.32586197 -0.66486584 -0.90131261 1.84791291 1.03506058 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15299-99-7 27189 144210972 A A Napropamide CCN(CC)C(=O)C(C)Oc2cccc1ccccc12 Tox21_300655 -NCGC00254358-01 196719644 tox21-ror-cho-viability-p1 set3 4 0.968854161 9.078896152 -8.078896152 1 0.7 0.8301719482 0.0040117101 -6.8401634 -6.1273063 -9.00956573 -10.48241346 -8.39750881 -6.37949122 -5.63301902 -5.6860535 -2.7261472 -0.98485106 -4.70382745 -1.63996618 0.66884462 1.60139953 0.22859853 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-51-4 7440 144210705 A A 1,2-Dimethyl-4-nitrobenzene Cc1ccc(cc1C)[N+](=O)[O-] Tox21_300387 -NCGC00254006-01 196720056 tox21-ror-cho-viability-p1 set3 4 0.0153553036 22.099277232 -17.099277232 5 0.2 0.6373047623 0.0722591561 -8.28313928 -13.41606436 -4.16313785 -1.05142598 -10.9609624 -4.7897656 -1.00288064 -1.92041966 -3.36913609 -0.879811 -1.00764713 0.49054972 0.44795221 0.81682558 3.69036179 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 614-45-9 11966 144210390 C tert-Butyl perbenzoate CC(C)(C)OOC(=O)c1ccccc1 Tox21_300070 -NCGC00254829-01 196720061 tox21-ror-cho-viability-p1 set3 4 -4.66798153 8.18805391 6.73666406 2.1633235 5.86124749 3.45639457 10.8886788 12.39901981 12.4270091 -0.48813989 14.88946345 0.81746002 3.23099859 7.25741517 -3.32158148 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-25-8 6912870 144211244 A A Oleyl sarcosine O=C(CCCCCCC/C=C\CCCCCCCC)N(C)CC(=O)O Tox21_300927 -NCGC00254285-01 196720465 tox21-ror-cho-viability-p1 set3 4 0.2433651621 -7.015871212 0 -7.015871212 4.9549173134 0.6183898905 0.0847040211 -3.5650144 -5.83366759 3.034123 2.7012153 1.74551294 0.1090975 2.94498684 -7.45241533 -8.27026611 -8.76322601 -6.20181364 -8.52496458 -4.51234577 -5.12832799 -4.67953762 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 628-63-7 12348 144210678 FNS Pentyl acetate CC(=O)OCCCCC Tox21_300360 -NCGC00254309-01 196720479 tox21-ror-cho-viability-p1 set3 4 0.0485577337 5.841028368 -6.841028368 -1 4.9549173134 0.6786189219 0.0490626854 -8.4377091 -9.86752364 -4.37912185 -5.26503138 -6.83102632 -1.61314099 2.15494722 -1.45211086 0.09796932 -0.71672841 -3.96981845 1.0046801 -2.18512488 -3.76040533 0.63671165 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55-18-5 5921 144210851 Ac N-Nitrosodiethylamine CCN(CC)N=O Tox21_300533 -NCGC00254604-01 196720888 tox21-ror-cho-viability-p1 set3 4 1.0462981959 -13.585630976 -2 -15.585630976 3.9294729863 0.5720416777 0.1327742369 -2.69543099 -7.85178799 -0.69649961 -5.2510524 -0.21839667 -0.0980886 -5.368753 2.21458602 2.33048552 -23.40469248 -14.82215511 -18.93414009 -3.27993849 -17.45515824 -2.62953246 1.1429999999E-9 2.555E-9 5.713E-9 1.277E-8 2.8559999999E-8 6.3869999999E-8 1.428E-7 3.194E-7 7.141E-7 0.000001597 0.000003571 0.000007984 0.00001785 0.00003992 0.00008926 82558-50-7 73672 144211013 A A Isoxaben CCC(C)(CC)c2cc(NC(=O)c1c(OC)cccc1OC)on2 Tox21_300696 -NCGC00254233-01 196720893 tox21-ror-cho-viability-p1 set3 4 5.4482673282 -7.5088722439 -0.5 -8.0088722439 4.9549173134 0.3841703924 0.304258304 -5.15817742 -10.84072687 0.79194072 3.3528255 -0.94109846 -0.83613896 0.66827033 1.04870202 4.20239186 3.53015008 -0.75314086 -7.67702085 -9.73600861 -5.62181689 -1.88397865 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23779-32-0 90258 144210735 Fns Fns 1-[3-(Triethoxysilyl)propyl]urea CCO[Si](OCC)(OCC)CCCNC(N)=O Tox21_300417 -NCGC00254009-01 196720895 tox21-ror-cho-viability-p1 set3 -2.1 30.6378586933 -56.69382371 -4.515284737 -61.209108447 3.1924983358 0.9436791762 0.0000160647 -11.72785778 -12.52423259 0.14391752 -2.19726025 -4.39232356 -10.21992294 -2.18332893 -3.10328171 -2.27513265 -0.1052934 -1.66035225 -0.62576335 -16.37113923 -44.91362229 -60.00892985 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-95-6 8455 144210410 Ac Ac 2,4-Bis(2-methylbutan-2-yl)phenol Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC Tox21_300090 -NCGC00259226-01 196721282 tox21-ror-cho-viability-p1 set3 4 -1.14295637 2.15157911 2.39498354 12.00901614 -2.48298745 -0.89045894 1.88896898 -1.29627667 -1.16308553 -0.20002666 0.014332 1.85143959 -0.89697736 7.16648386 11.275307 1.164E-9 2.602E-9 5.819E-9 1.301E-8 2.91E-8 6.506E-8 1.4549999999E-7 3.253E-7 7.274E-7 0.0000016269999999 0.0000036369999999 0.0000081329999999 0.00001819 0.000040659999999 0.00009093 120-72-9 798 144208875 B B Indole c1cccc2nccc12 Tox21_201677 -NCGC00256651-01 196718811 tox21-ror-cho-viability-p1 set2 4 0.2563215636 5.710311116 -6.710311116 -1 1.4641 0.3705391312 0.318128051 0.60788207 -9.23387503 -6.74914178 -7.47827126 -5.40384714 -13.09192593 -1.24220606 -4.45542163 -1.8145635 -0.28187957 -2.15911853 -2.04029422 -1.81473349 0.19249758 -6.4896376 1.017E-9 2.273E-9 5.083E-9 1.1369999999E-8 2.5409999999E-8 5.6829999999E-8 1.271E-7 2.841E-7 6.354E-7 0.000001421 0.000003177 0.000007104 0.00001588 0.00003552 0.00007942 1069-66-5 16760703 144212940 A Sodium valproate [Na+].[O-]C(=O)C(CCC)CCC Tox21_302623 -NCGC00164127-03 196700764 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -65.2567208224 -0.630337166 -65.8870579884 3.6272481694 0.9753507048 1.584E-7 0.2122082 0.47338032 -4.39623283 1.38893379 0.29678452 -2.0056682 -2.08055177 0.18639607 1.25561006 -0.53944606 0.71422257 0.75607855 -6.05574775 -9.17023254 -49.91443787 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00163818-04 196700752 tox21-ror-cho-viability-p1 set1 -1.2 1.0332447846 -28.5601311639 1.5 -27.0601311639 2.1210667061 0.9707505738 4.208E-7 1.72841003 -0.82197595 1.49161519 0.20227604 2.38453849 2.71145281 -0.39906114 1.56729399 -11.72998013 -17.55145447 -28.57833443 -25.47037179 -22.932143 -27.95290492 -30.46677597 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00255473-01 196700754 tox21-ror-cho-viability-p1 set1 -2.4 27.3060203028 -35.9138760119 -2.5 -38.4138760119 0.7999999999 0.8769350512 0.0008919747 1.06348158 1.89767441 -4.60793584 -1.47075371 -0.317473 -7.57159337 -7.28694113 -5.25031574 -5.77142356 -7.98176245 -3.24781266 -10.87029395 -21.50143493 -21.93829662 -28.67823001 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1715-40-8 15583 144212173 A A Bromociclen ClC2(Cl)C1(Cl)CC(CBr)C2(Cl)C(Cl)=C1Cl Tox21_301856 -NCGC00091210-02 196700760 tox21-ror-cho-viability-p1 set1 4 -0.2044257 0.68971083 -3.28021504 -0.46557646 -0.1013044 3.2140453 0.4798971 -0.12463246 1.88705255 2.38988858 -0.04456155 -0.03599983 0.61986948 0.01514958 -2.60109827 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00256080-01 196700767 tox21-ror-cho-viability-p1 set1 4 -1.58449074 -2.92713797 -5.35484882 -4.78345994 -4.43874754 -5.53154921 -5.6041265 -7.66666014 -3.01824459 -0.31299014 -14.95236427 2.41472694 -6.69207218 -11.71728343 -9.56570252 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4501-58-0 1252759 144211965 Bc D [(1R)-2,2,3-Trimethylcyclopent-3-en-1-yl]acetaldehyde CC1(C)C(C)=CC[C@@H]1CC=O Tox21_301648 -NCGC00256031-01 196700772 tox21-ror-cho-viability-p1 set1 4 72.7253077472 8.7507622759 -2.2507622759 6.5 4.9549173134 0.4033536406 0.2725765673 -8.12563523 -1.83864393 -1.78183124 -3.14958324 -0.31574323 -4.85143651 -0.52278233 -1.07245816 1.13348621 -3.99283406 -1.87811017 -0.02484624 -1.6487644 -1.88551018 4.94526271 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 54914-85-1 97354 144212201 A A 1,1'-[Ethane-1,2-diylbis(oxy)]bis(3-methylbenzene) Cc1cc(ccc1)OCCOc2cc(C)ccc2 Tox21_301884 -NCGC00255294-01 196700775 tox21-ror-cho-viability-p1 set1 -1.1 24.3365162115 -93.1868143731 2.2042720924 -90.9825422807 4.9549173134 0.9951660204 0 3.52627263 2.47567472 1.06414529 3.9776741 3.40489322 5.11361775 0.828302 2.33626423 -0.19600364 -0.40383776 4.03708087 -1.73233387 -12.12365207 -86.05002747 -90.8009404 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2062-78-4 16362 144211903 A A Pimozide Fc1ccc(cc1)C(CCCN2CCC(CC2)N3c4ccccc4NC3=O)c5ccc(F)cc5 Tox21_301586 -NCGC00255632-01 196701172 tox21-ror-cho-viability-p1 set1 4 2.07904935 1.79404484 6.4149458 0.32931526 4.04286711 3.3362936 -0.46776206 0.4897054 1.80883463 1.69658941 0.95424375 0.73725264 1.9765875 3.37317504 3.75320996 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7647-15-6 253881 144211660 Sodium bromide [Na+].[Br-] Tox21_301343 -NCGC00255816-01 196701187 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -12.306154496 -0.5 -12.806154496 4.9549173134 0.3427195676 0.3285428083 1.15485033 3.7648361 0.96901053 -5.44783158 2.00235263 -4.40753517 -2.299219 -4.29987171 2.1031423 -6.03330284 1.32873761 2.27510533 0.37065127 3.02381636 -9.83846208 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-63-1 66623 144212395 2,4-Diaminobenzenesulfonic acid Nc1cc(N)ccc1S(O)(=O)=O Tox21_302078 -NCGC00255532-01 196700368 tox21-ror-cho-viability-p1 set1 4 21.6899429044 -10.88044562 0 -10.88044562 4.9549173134 0.7903632783 0.0097837138 0.34569256 1.35893849 3.90547251 0.47640045 2.82523991 2.33657487 0.04040837 -2.21845799 -2.39763648 -2.40686446 -1.35054931 -0.86312566 -2.81638788 -12.40037135 -9.41048623 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2445-77-4 62445 144211909 A F 2-Methylbutyl isovalerate CC(CC)COC(=O)CC(C)C Tox21_301592 -NCGC00254409-01 196699958 tox21-ror-cho-viability-p1 set1 4 -0.00317608 1.74910493 -1.03328228 0.87299976 0.4751372 1.31674262 -0.40733133 0.99284977 0.92163107 0.04242138 1.84477297 1.91731093 1.85641441 0.13502637 0.14526362 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 678-39-7 69619 144210715 1,1,2,2-Tetrahydroperfluoro-1-decanol FC(F)(C(F)(F)CCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300397 -NCGC00254494-01 196714801 tox21-ror-cho-viability-p1 set2 2.4 61.130564862 36.3826732121 1.6173267879 38 1.8851180601 0.9613334315 0.00000204 -0.73556101 1.07697572 0.21125521 0.6100136 1.09839808 1.45771567 3.16298104 1.43347927 2.64022478 1.92210697 0.72967639 4.80724664 5.46530823 11.20974714 28.88761383 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 289716-94-5 9861124 144210762 A A CP-607366 Clc2ccc(Oc1ccc(F)cc1CNC)cc2Cl Tox21_300444 -NCGC00254867-01 196714792 tox21-ror-cho-viability-p1 set2 4 -4.09925242 -2.53842806 -4.24340523 -5.71230816 -4.54055452 -6.12141881 -1.10306559 -5.69212436 0.88503922 -4.56777218 -2.30427869 -1.4944927 -2.14695484 -0.33480916 -3.9497526 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.00009175 4712-55-4 6327546 144211527 A A Diphenyl phosphite O=P(Oc1ccccc1)Oc2ccccc2 Tox21_301210 -NCGC00254579-01 196714796 tox21-ror-cho-viability-p1 set2 4 0.6113056486 -6.807334048 -2.98531904 -9.792653088 0.7999999999 0.3377630177 0.3333132187 -1.70696003 -4.92633965 -1.91872379 -6.17818509 -5.28985253 -2.88588796 -0.92392594 -4.60971752 -7.6144362 -13.01278524 -9.62493752 -0.8210992 -13.16054424 -7.05846551 -9.4199634 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2303-17-5 5543 144210988 A Ac Tri-allate Cl/C(Cl)=C(\Cl)CSC(=O)N(C(C)C)C(C)C Tox21_300671 -NCGC00254187-01 196714797 tox21-ror-cho-viability-p1 set2 4 2.4336516212 9 1 10 0.9999999999 0.6444668378 0.0801458797 1.29241738 1.91773094 0.35810014 1.7645622 0.00000149 0.32992436 3.71316428 0.64269958 4.45448258 6.33815743 2.31063439 8.35822205 14.36248403 5.96433913 1.11392651 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-54-2 7564 144210347 A C N-Phenyl-1,4-benzenediamine Nc2ccc(Nc1ccccc1)cc2 Tox21_300027 -NCGC00254611-01 196714812 tox21-ror-cho-viability-p1 set2 4 -4.42774324 -2.64498039 -0.49805124 -2.44288967 -5.15066094 -1.77510918 -3.64970719 -10.55847666 -2.19644142 -5.07920883 -5.34372692 -1.16438157 -2.33466651 1.25004663 -0.17626435 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 207569-02-6 51346588 144211020 A A 1,5-Naphthalenedisulfonic acid, disodium salt hydrate [Na+].[Na+].O.[O-]S(=O)(=O)c2cccc1c2cccc1S([O-])(=O)=O Tox21_300703 -NCGC00254922-01 196715210 tox21-ror-cho-viability-p1 set2 -2.1 54.4826732819 -93.1201202769 -4.762579505 -97.8826997819 2.2526478767 0.970027274 4.828E-7 -3.6906605 -3.91096238 -6.90055264 -2.69700168 0.0631437 -1.34638669 -10.60547008 -6.50275567 -4.67715874 -2.96863118 -8.18122111 -2.75588694 -18.04322223 -32.45738759 -77.56265135 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-43-8 66030 144211337 CC 4-Dodecylphenol Oc1ccc(CCCCCCCCCCCC)cc1 Tox21_301020 -NCGC00254398-01 196715211 tox21-ror-cho-viability-p1 set2 4 1.2115011 -1.64067029 2.91197768 -1.74830236 -0.22984145 2.82860261 1.1394958 -0.24560164 2.12970543 -1.11657554 1.44943768 6.88927169 2.63173862 -0.22766421 1.86930245 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-01-8 995 144210890 A Phenanthrene c2cc3ccc1ccccc1c3cc2 Tox21_300573 -NCGC00254742-01 196715222 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -13.88757386 1 -12.88757386 4.5044702849 0.7742654605 0.0133828816 -1.05247489 3.41529486 1.19230846 -0.71128938 1.9113268 1.02242964 3.41583162 2.36314409 -0.74471738 1.19765835 1.22633916 -0.83393605 -0.96612583 -0.12139226 -9.90631155 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-30-9 7430 144211155 A A Dicloran Clc1cc(cc(Cl)c1N)[N+]([O-])=O Tox21_300838 -NCGC00255843-01 196709841 tox21-ror-cho-viability-p1 set2 4 19.3115248013 -19.8474489559 0.5 -19.3474489559 4.5044702849 0.9866861582 4.5E-9 0.22638352 -0.16698341 -0.72112705 -0.06990656 1.57156868 1.29294655 1.36106266 0.44716558 0.39806391 2.28871678 0.48313224 0.93215356 -8.5654308 -18.11883038 -19.87287413 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 203313-25-1 9969573 144212747 A A Spirotetramat O=C(OCC)OC2=C(C(=O)N[C@@]12CC[C@H](CC1)OC)c3cc(C)ccc3C Tox21_302430 -NCGC00259205-01 196709429 tox21-ror-cho-viability-p1 set2 -1.1 8.5998086107 -74.9825619426 0.8034286059 -74.1791333367 1.4780888099 0.9886678764 1.7E-9 -0.5229353 -1.1687354 1.68541921 2.2802891 2.02644674 -1.11171194 1.15880699 1.67600382 -0.74910492 -6.39211643 -19.0833198 -31.24156876 -54.35030537 -74.68542484 -67.81776179 1.1759999999E-9 2.63E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.576E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.00000822 0.000018379999999 0.0000411 0.0000919 118-75-2 8371 144208854 Chloranil ClC=1C(=O)C(Cl)=C(Cl)C(=O)C=1Cl Tox21_201656 -NCGC00259037-01 196709433 tox21-ror-cho-viability-p1 set2 4 0.83992019 -2.37059368 0.8019783 1.22065372 0.12905523 -0.68550237 -0.25950488 -0.22772521 -1.96043733 -0.28768443 0.91623115 -0.05433866 0.02009292 0.07698443 0.76038851 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 43222-48-6 39424 144208684 A A Difenzoquat metilsulfate Cn2[n+](C)c(cc2c1ccccc1)c3ccccc3.[O-]S(=O)(=O)OC Tox21_201486 -NCGC00256083-01 196709829 tox21-ror-cho-viability-p1 set2 1.2 8.6349217992 53.7168185681 -2.0137965189 51.7030220492 1.1340999999 0.9779346965 8.37E-8 -0.4183325 -1.13570866 -2.08326539 -3.0237045 -4.47279807 0.6160389 -0.75984539 1.52194689 0.57298481 -0.3079387 17.01906383 25.94357276 30.58238178 46.15386398 48.45597863 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2057-49-0 74937 144212036 A A 4-(3-Phenylpropyl)pyridine C(CCc1ccncc1)c2ccccc2 Tox21_301719 -NCGC00166288-02 196724999 tox21-ror-cho-viability-p1 set3 -2.1 14.575039053 -66.471656782 -6.17637258 -72.648029362 4.5044702849 0.7677180111 0.0145874721 -8.6469842 -12.45220811 -12.92477225 -12.50199813 -6.50682251 -8.67986272 -5.92131893 -9.3019511 0 -13.13607753 -13.30011657 16.98354609 6.08068282 -18.99160939 -64.78017971 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 905-97-5 13486 170466500 A 3,3'-Diethylthiacarbocyanine iodide [I-].CCN3c4ccccc4SC3=CC=Cc2sc1ccccc1[n+]2CC Tox21_112392_1 -NCGC00260434-01 196724581 tox21-ror-cho-viability-p1 set3 -2.4 12.3710109754 -24.438880804 1 -23.438880804 2.4063783767 0.8282463096 0.0060881445 -6.51426344 -0.23947448 -3.64386811 -1.82833048 1.45559504 4.23033543 4.14462448 6.1806025 -0.15889064 3.37171913 2.39285476 -5.08565831 -17.42458226 -22.03240067 -9.46079173 1.194E-9 2.6689999999E-9 5.969E-9 1.335E-8 2.985E-8 6.6739999999E-8 1.4919999999E-7 3.337E-7 7.4609999999E-7 0.000001668 0.0000037309999999 0.000008342 0.00001865 0.00004171 0.000093269999999 26444-49-5 6528 144210086 C C Cresyl diphenyl phosphate O=P(Oc1ccccc1)(Oc2ccc(C)cc2)Oc3ccccc3 Tox21_202888 -NCGC00260176-01 196724589 tox21-ror-cho-viability-p1 set3 4 54.2057602633 15.839356468 -0.339356468 15.5 3.9294729863 0.6280758668 0.0781982787 -4.86613039 -1.57993307 -4.84780209 -0.64474066 2.93497685 -1.24616035 -2.21261974 1.4358976 -0.18211549 2.29634129 2.34935397 5.1466769 -2.24956435 3.93169826 13.45529257 1.175E-9 2.626E-9 5.873E-9 1.3129999999E-8 2.936E-8 6.566E-8 1.468E-7 3.2829999999E-7 7.341E-7 0.000001642 0.0000036709999999 0.000008208 0.00001835 0.00004104 0.00009176 61546-00-7 16749605 144209826 F Fns 1-Dodecyl-3-methylimidazolium bromide [Br-].C[n+]1ccn(CCCCCCCCCCCC)c1 Tox21_202628 -NCGC00018210-05 196724984 tox21-ror-cho-viability-p1 set3 4 4.56668402 6.76272099 -0.08179589 -0.23116371 1.3214369 3.99916071 9.30882277 1.11779495 8.05804328 6.88783962 6.60367088 -3.19612617 7.47497112 0.2476865 0.3152282 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 125-52-0 66061 170465276 A Oxyphencyclimine hydrochloride Cl.CN3CCCN=C3COC(=O)C(O)(c1ccccc1)C2CCCCC2 Tox21_111416_1 -NCGC00181026-02 196725397 tox21-ror-cho-viability-p1 set3 -3 29.8492948118 -32.56216228 -1 -33.56216228 4.9549173134 0.9135465034 0.0001547053 0 0 -0.66892062 -1.16649014 2.65723515 -1.47168103 -0.59822038 3.68233492 -6.22988641 -4.18851645 -1.21758472 -1.00222396 -0.7054622 -5.35940981 -30.0518019 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25875-51-8 60196301 170465629 A Robenidine Clc2ccc(/C=N/NC(=N)N\N=C/c1ccc(Cl)cc1)cc2 Tox21_112676_1 -NCGC00015877-11 196725405 tox21-ror-cho-viability-p1 set3 4 -6.43645531 3.58904145 -1.18224107 -0.05899961 -3.07632523 -1.16219522 4.80546215 7.96942926 -2.02440653 6.19720821 1.26965317 -3.06350194 4.01350228 2.94735008 -5.21172873 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87051-43-2 5074 170466554 A Ritanserin Fc1ccc(cc1)/C(c2ccc(F)cc2)=C3/CCN(CC3)CCC4=C(C)N=C5SC=CN5C4=O Tox21_110251_1 -NCGC00091205-03 196708027 tox21-ror-cho-viability-p1 set1 4 0.38066172 -5.14041614 -8.82843628 2.08392018 -11.73499587 -1.66750674 4.11440159 -0.39422107 -9.89582793 -2.99629545 1.17624435 -0.04356487 0.01479112 -2.79524912 -11.85210312 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00257501-01 196707608 tox21-ror-cho-viability-p1 set1 4 1.11506688 3.14371868 -2.19441296 1.09202112 -1.52822921 -0.28819729 5.10068246 3.43709528 4.70485997 4.66173091 -5.23520327 -0.08871697 3.55466478 7.29603693 4.52548145 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_48514 60196438 144213716 F F PharmaGSID_48514 [Na+].O=C([N-]S(=O)(=O)/C=C/c1ccc(OC)cc1)c2ccc(C)cc2Cl Tox21_303405 -NCGC00257302-01 196707610 tox21-ror-cho-viability-p1 set1 4 68.5896218971 17.399021008 -11.399021008 6 4.9549173134 0.4817219765 0.1954169349 -13.66439197 -8.54359271 -8.19629252 -18.66585084 -11.44142372 -15.70747599 -11.07316843 -5.49924353 -15.525958 -12.01462916 -10.26427994 -5.46054716 -8.07228228 -12.01059377 3.01694448 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 37143-54-7 123458 144213858 Fns 1-Methoxy-2-propylamine CC(N)COC Tox21_303553 -NCGC00256755-01 196708021 tox21-ror-cho-viability-p1 set1 4 0.1561194 -7.70833425 -2.97711437 1.99844087 -3.6003128 -0.33323527 -4.70122632 -0.5640942 -0.84829757 -21.46560105 -8.39029878 -5.0381632 -9.84030793 0.92328212 4.67129883 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 15763-76-5 23679813 144213942 A Cc sodium 4-isopropylbenzenesulfonate [Na+].O=S([O-])(=O)c1ccc(cc1)C(C)C Tox21_303637 -NCGC00259304-01 196708428 tox21-ror-cho-viability-p1 set2 4 78.2783391761 -13.704969624 1 -12.704969624 1.6258976909 0.7713817637 0.0141191776 4.89877978 0.62466262 1.4674203 1.44963896 0.07430461 2.79180921 0.74423835 0.30499524 -0.13225329 -0.87379226 0.24087378 0.17544385 -1.68823685 -2.41743045 -8.92080802 1.4499999999E-9 3.241E-9 7.248E-9 1.6209999999E-8 3.624E-8 8.103E-8 1.8119999999E-7 4.052E-7 9.06E-7 0.0000020259999999 0.00000453 0.00001013 0.000022649999999 0.00005065 0.0001132 55-80-1 5934 144208953 A A 3'-Methyl-4-dimethylaminoazobenzene CN(C)c2ccc(/N=N/c1cc(C)ccc1)cc2 Tox21_201755 -NCGC00258945-01 196708430 tox21-ror-cho-viability-p1 set2 4 6.5857144 2.50802378 0.71184728 1.97956483 -0.53817577 -1.75840439 0.00899352 -0.19241473 2.40498655 0.05873338 1.74569929 -2.67691697 1.3773283 5.33704171 3.85774798 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 139-40-2 4937 144208592 A A Propazine Clc1nc(NC(C)C)nc(NC(C)C)n1 Tox21_201394 -NCGC00186014-02 196697479 tox21-ror-cho-viability-p1 set1 4 -5.0868047 -0.71998449 0.73478112 0.34527215 0.17269345 0.9842532 -4.84894268 2.79731248 2.075688 -0.41147032 -3.15128446 -4.47896846 -0.90498274 1.13226912 0.56076497 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 144598-75-4 9802545 170464996 A Paliperidone CC=5N=C1[C@H](O)CCCN1C(=O)C=5CCN2CCC(CC2)c4noc3cc(F)ccc34 Tox21_113609_1 -NCGC00024749-04 196697493 tox21-ror-cho-viability-p1 set1 4 3.29265998 4.01677126 0.07737184 2.31195401 4.47853092 -0.77143945 -0.25550278 -1.65583093 4.06822797 2.67619275 -4.58415046 -2.91394259 0.0583352 3.01245158 -0.26077844 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 207572-66-5 2829432 170466157 A Pirlindole mesylate CS(=O)(=O)O.Cc1ccc2c(c1)c3CCCC4NCCn2c34 Tox21_110923_1 -NCGC00090705-15 196697434 tox21-ror-cho-viability-p1 set1 4 26.6032120037 11.2096506599 -0.2096506599 11 3.9294729863 0.712451443 0.0335305111 1.04162821 1.07594993 0.88599314 1.88561926 2.87432208 0.62446507 -1.28423426 -0.45571108 0.1812587 -3.09137555 -1.47099561 -3.01708558 0.23218035 2.76198608 9.8067028 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7481-89-2 24066 170465128 Z 2',3'-Dideoxycytidine NC1=NC(=O)N(C=C1)[C@H]2CC[C@@H](CO)O2 Tox21_113491_1 -NCGC00091902-11 196697436 tox21-ror-cho-viability-p1 set1 4 1.17401541 0.93246641 0.75538405 0.47319386 3.67096396 0.45005099 -0.70362429 2.71867522 0.46380827 2.40377495 1.0301121 0.19694606 0.83680969 -0.57055648 -0.48302084 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 121-75-5 4004 170465311 Z Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_111175_1 -NCGC00018143-05 196697505 tox21-ror-cho-viability-p1 set1 4 0.72380994 3.87282762 3.18557653 0.77405164 2.23349198 2.80950167 2.67112248 4.72507988 2.65793262 -0.61114371 2.78362501 0.97700582 -0.43612541 1.24833567 -1.48466249 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 93106-60-6 71188 170465572 A Enrofloxacin CCN1CCN(CC1)c2cc3N(C=C(C(=O)O)C(=O)c3cc2F)C4CC4 Tox21_110831_1 -NCGC00160664-03 196697512 tox21-ror-cho-viability-p1 set1 -2.2 23.7101376556 -65.4219717246 -1.223210655 -66.6451823796 1.331 0.9515437658 0.0000070831 1.74333202 -1.82884355 -6.69172917 -6.39842337 1.73777973 -0.84913094 0.37578045 -0.24664671 -0.03952009 -1.2727477 -1.98401798 -12.71143112 -15.0013523 -27.44734994 -50.48877453 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4008-48-4 19910 170466124 A Nitroxoline [O-][N+](=O)c1ccc(O)c2ncccc12 Tox21_111969_1 -NCGC00183008-01 196697525 tox21-ror-cho-viability-p1 set1 -3 33.4914596268 -53.1938232769 1.8799106714 -51.3139126055 4.9549173134 0.9536136056 0.0000055751 0.95985258 0.50781053 5.07421272 3.99924957 4.44591297 -1.32388824 0.2032194 7.38958253 0.49974491 3.61419212 -0.81647552 0.18063232 0.61177529 0.20846628 -45.01220404 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 117279-73-9 119175 144206851 A A Israpafant CC(C)Cc1ccc(cc1)CCc2cc5c(s2)n3c(C)nnc3C(C)N=C5c4ccccc4Cl Tox21_113300 -NCGC00179541-03 196697537 tox21-ror-cho-viability-p1 set1 4 -1.36340912 -1.34780951 -1.13466407 -5.20790099 0.87099372 0.15801301 0.03473248 -0.83313662 -5.12703134 -2.11648763 -3.10466492 -3.36634777 -1.68322172 -0.34457105 -2.91436531 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51781-21-6 40127 170465122 Ac Carteolol hydrochloride Cl.CC(C)(C)NCC(O)COc1cccc2NC(=O)CCc12 Tox21_110654_1 -NCGC00018130-09 196697538 tox21-ror-cho-viability-p1 set1 4 -0.70886986 2.01334922 0.6899749 -0.33544736 0.93528083 2.1054604 1.54399363 3.28795104 0.67001186 0.22319244 3.87456845 3.78885656 2.28214205 0.5680762 -0.42505386 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 136-40-3 8691 170465267 A Phenazopyridine hydrochloride Cl.Nc2nc(N)ccc2/N=N/c1ccccc1 Tox21_110829_1 -NCGC00090686-11 196697541 tox21-ror-cho-viability-p1 set1 4 2.86417216 4.38216384 0.02626109 0.19266828 5.22870051 3.80364407 -2.41690202 3.8755966 0.85363672 -0.00628803 3.59549806 5.25005677 3.27871813 7.91751509 4.25461114 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-87-0 5447130 170464946 A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_110997_1 -NCGC00091285-03 196697542 tox21-ror-cho-viability-p1 set1 4 0.95722064 1.08435793 3.32492348 1.87614292 5.00378925 1.49306887 -0.03100665 0.87237857 1.14086929 2.20693224 0.18669419 5.88466908 1.147274 0.33035581 3.66702666 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 538-23-8 10850 170465841 F Tricaprylin O=C(CCCCCCC)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC Tox21_111110_1 -NCGC00182073-03 196697549 tox21-ror-cho-viability-p1 set1 4 1.85660672 4.03230452 0.49599681 -0.20178586 1.43487364 -0.34024243 0.82330254 1.11118548 1.38682877 1.33098156 0.68840494 2.08705616 1.06164573 3.94918743 4.26826612 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69049-73-6 50294 170464978 F Nedocromil O=C(O)C2=CC(=O)c3cc1c(OC(=CC1=O)C(=O)O)c(CCC)c3N2CC Tox21_113148_1 -NCGC00257778-01 196702875 tox21-ror-cho-viability-p1 set1 4 -0.9799966 1.6939493 3.0998533 9.2836794 4.27176019 10.40573698 6.47742762 1.50600911 2.936613 -6.20545561 1.70662558 0.63889211 4.48179021 0.12169041 3.46625132 1.474E-9 3.2969999999E-9 7.372E-9 1.648E-8 3.6859999999E-8 8.2419999999E-8 1.8429999999E-7 4.121E-7 9.214E-7 0.0000020599999999 0.000004607 0.0000103 0.00002304 0.000051509999999 0.0001152 9005-07-6 5378708 144207422 D Polyethylene glycol dioleate O=C(CCCCCCC/C=C\CCCCCCCC)OCCOC(=O)CCCCCCC/C=C\CCCCCCCC Tox21_200224 -NCGC00257744-01 196702868 tox21-ror-cho-viability-p1 set1 4 6.9148016794 -5.4432005481 6 0.5567994519 1.331 0.3782881107 0.2957485011 11.3675365 2.50864384 4.17082174 8.05938577 1.13889006 6.02547824 9.32291472 4.3971851 7.2817977 5.18313385 4.63199603 1.74298519 2.63031046 2.18172309 -0.36933379 1.188E-9 2.657E-9 5.941E-9 1.3289999999E-8 2.971E-8 6.6429999999E-8 1.4849999999E-7 3.321E-7 7.427E-7 0.0000016609999999 0.000003713 0.000008303 0.00001857 0.00004152 0.000092829999999 89-40-7 6969 144207388 A A 4-Nitrophthalimide [O-][N+](=O)c1ccc2C(=O)NC(=O)c2c1 Tox21_200190 -NCGC00258691-01 196702870 tox21-ror-cho-viability-p1 set1 4 1.84888111 -2.67008984 0.93892224 -2.65991691 -0.37792297 -0.49988494 0.53040604 0.3910611 -3.27695221 -0.27940746 1.11611655 0.30540835 1.70559478 0.14190843 6.63108388 1.196E-9 2.674E-9 5.9789999999E-9 1.337E-8 2.9899999999E-8 6.685E-8 1.4949999999E-7 3.3429999999E-7 7.4739999999E-7 0.000001671 0.000003737 0.000008357 0.00001869 0.000041779999999 0.00009343 6864-37-5 91555 144208337 I Ac 4,4'-Methylenebis(2-methylcyclohexanamine) CC2CC(CC1CCC(N)C(C)C1)CCC2N Tox21_201139 -NCGC00357071-01 196703278 tox21-ror-cho-viability-p1 set1 4 -4.7340802 -2.21137923 1.35569806 -2.11693245 0.27642219 0.40698387 0.87467283 -3.1937245 -0.02825294 -5.93846365 -3.33385655 -2.63736365 -6.80842203 1.01679645 -4.24909872 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 544-01-4 10989 251919908 Fns Isoamyl ether CC(C)CCOCCC(C)C Tox21_303780 -NCGC00090827-04 196703287 tox21-ror-cho-viability-p1 set1 4 27.4727179077 -13.931161668 1 -12.931161668 0.2 0.3172500103 0.3695893873 -0.29228421 -0.57136613 -0.42593733 -4.50835137 1.06607245 -4.11278635 -6.43723741 0.51622356 -2.56617394 -4.60887414 -3.41352768 -8.37974839 -0.76525334 -9.10930139 9.74658446 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00258326-01 196703291 tox21-ror-cho-viability-p1 set1 -1.1 13.9084077909 -98.254654057 -1.390536683 -99.64519074 1.826479391 0.9936342395 1E-10 1.64130133 -0.88085879 0.63314046 -1.57654872 -1.09644127 -4.92217989 -4.40775554 -2.26922351 -1.47956393 -1.59173736 -5.48046132 -32.39834829 -66.10968232 -85.66656356 -92.2640655 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.000001671 0.000003737 0.000008357 0.00001869 0.000041779999999 0.00009343 5153-67-3 5284459 144207970 A B (E)-beta-Nitrostyrene [O-][N+](=O)/C=C/c1ccccc1 Tox21_200772 -NCGC00357138-01 196703689 tox21-ror-cho-viability-p1 set1 4 5.70664129 2.49879378 2.11330838 5.25704679 -3.34986168 3.04989394 2.29537783 1.98492675 -2.01023863 3.99450755 -0.39861942 2.98937118 8.51218665 1.44501008 5.56456176 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-77-3 6555 251919948 F 1-Bromo-2-methylpropane CC(C)CBr Tox21_303878 -NCGC00260188-01 196703698 tox21-ror-cho-viability-p1 set1 4 -4.72864259 5.01390494 1.16218579 -6.70744016 -0.14513347 2.57375096 3.24835087 2.9677259 3.20578745 0.39646106 0.01400779 -2.45320441 0.03416088 0.83266646 2.96624856 1.194E-9 2.671E-9 5.972E-9 1.335E-8 2.986E-8 6.677E-8 1.493E-7 3.338E-7 7.465E-7 0.000001669 0.000003732 0.000008346 0.00001866 0.000041729999999 0.00009331 145022-45-3 16211849 144209838 A A 1-Ethyl-3-methylimidazolium methanesulfonate C[n+]1ccn(CC)c1.[O-]S(C)(=O)=O Tox21_202640 -NCGC00255180-01 196700817 tox21-ror-cho-viability-p1 set1 4 -7.22233623 -2.73666793 3.38300225 -0.57091592 0.21836623 -6.90869659 -3.38491068 -7.99543879 -9.91676036 -4.97080418 -9.9849725 -3.40276516 0.06859784 -2.52465793 -2.34206853 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 64700-56-7 47455 144212230 A A Triclopyr-butotyl Clc1cc(Cl)c(Cl)nc1OCC(=O)OCCOCCCC Tox21_301913 -NCGC00254367-01 196699985 tox21-ror-cho-viability-p1 set1 4 1.1900066847 -9.412542188 -1 -10.412542188 1.826479391 0.8832551616 0.0006993581 -0.54609573 0.46368227 0.59705186 -1.64937024 -2.45833543 0.01476864 -2.7745678 -2.12514844 -0.54002729 -8.31280028 -12.42711849 -8.59587094 -9.45339049 -9.76578866 -11.49417529 1.156E-9 2.585E-9 5.781E-9 1.293E-8 2.8899999999E-8 6.463E-8 1.4449999999E-7 3.231E-7 7.226E-7 0.000001616 0.000003613 0.000008079 0.000018059999999 0.00004039 0.000090319999999 2058-46-0 54680782 144210918 A C Oxytetracycline hydrochloride Cl.NC(=O)C=3C(=O)[C@@]4(O)C(O)=C2C(=O)c1c(O)cccc1[C@@](C)(O)[C@H]2[C@H](O)[C@H]4[C@@H](C=3O)N(C)C Tox21_300601 -NCGC00254660-01 196699990 tox21-ror-cho-viability-p1 set1 4 1.66283273 -0.33755624 1.59205411 -0.22470579 0.87165974 -2.01670928 0.85269343 1.33574851 2.10011192 0.9607877 -1.18094635 1.74437653 -0.60303572 0.36685905 5.06666528 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 702-23-8 69705 144211072 A A 4-Methoxybenzeneethanol COc1ccc(CCO)cc1 Tox21_300755 -NCGC00255353-01 196700814 tox21-ror-cho-viability-p1 set1 4 34.3762428541 -19.6735381 1 -18.6735381 4.9549173134 0.969309495 5.58E-7 0.78846096 1.89813657 0.20939492 0.06877 0.04835684 0.27633285 0.34931036 0.36494202 0.42302298 3.07701377 -0.33922834 2.88902984 -0.31680684 -13.20800377 -18.06128175 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69045-83-6 94647 144212061 A Ac 2,3-Dichloro-5-(trichloromethyl)pyridine Clc1cc(cnc1Cl)C(Cl)(Cl)Cl Tox21_301744 -NCGC00090702-02 196711496 tox21-ror-cho-viability-p1 set2 2.4 61.130564862 27.9150338681 0.0849661319 28 2.3031167061 0.8192337872 0.005193705 -0.41699337 -0.84850762 0.74353175 -0.02404472 1.50159915 0.97969393 -0.94615462 -7.42919489 -0.23228456 5.11660013 1.34273626 -1.77606996 3.82289318 7.31357208 21.20110239 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00091775-03 196711913 tox21-ror-cho-viability-p1 set2 -1.2 1.3685428777 -30.4384137049 -0.5 -30.9384137049 0.5 0.7191513884 0.0300310916 -0.55998999 0.09529967 -6.40495701 -5.36209913 -2.34218142 -2.46363381 -6.88121717 -5.94222323 -30.34325173 -13.27945039 -11.34477299 -22.0612405 -23.33499737 -34.15650325 -23.8645043 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00357074-01 196711917 tox21-ror-cho-viability-p1 set2 4 0.086349218 11.2372198759 -12.7372198759 -1.5 1.6266150999 0.6387105563 0.0832805783 -4.21569419 -14.72056325 -20.19768323 -12.41391334 -9.58489688 -11.16628773 -0.85462634 -6.1988378 0 0 -1.99516212 0 0 -5.34244854 -21.69700021 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4385-05-1 78091 251919806 Ac N,N-Dimethyl-2-(morpholin-4-yl)ethanamine CN(C)CCN1CCOCC1 Tox21_303783 -NCGC00357003-01 196711923 tox21-ror-cho-viability-p1 set2 4 6.1130564862 14 2 16 0.3 0.7264695747 0.0277996518 0.60880924 2.46211271 5.57059424 5.2118866 3.54965915 6.48691326 4.03311786 7.11185843 9.35290651 7.39815958 5.20113119 7.06176146 9.30822707 13.10629637 12.8508761 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56507-37-0 41909 251919737 A Diketometribuzin O=C1N(N)C(=O)NN=C1C(C)(C)C Tox21_303948 -NCGC00260234-01 196712326 tox21-ror-cho-viability-p1 set2 4 1.92004673 -1.66957766 2.95578548 2.36366963 -1.6315977 -2.35255677 2.60801855 0.5874194 2.84822244 -0.35879187 -13.85339883 -2.3643272 1.11720324 1.63954433 7.80555529 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.309E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008272 0.0000185 0.00004136 0.00009248 597581-48-1 17841257 144209884 A A 1-Butyl-3-methylpyridinium tetrafluoroborate Cc1ccc[n+](CCCC)c1.F[B-](F)(F)F Tox21_202686 -NCGC00260315-01 196712335 tox21-ror-cho-viability-p1 set2 4 7.2725718184 27.7036302799 -5.7036302799 22 0.6999999999 0.4655815671 0.2093627894 -0.35660533 0.46552768 -22.6696919 -0.42058147 -16.61032227 -2.52825473 0.09377691 2.57885586 -3.82994342 -9.55063716 2.80719191 5.72968463 0 12.66091575 15.32831397 3.234E-10 7.2319999999E-10 1.6169999999E-9 3.6159999999E-9 8.0859999999E-9 1.8079999999E-8 4.043E-8 9.0399999999E-8 2.021E-7 4.5199999999E-7 0.000001011 0.0000022599999999 0.000005053 0.0000113 0.000025269999999 112-39-0 8181 144209966 Fns Methyl hexadecanoate O=C(CCCCCCCCCCCCCCC)OC Tox21_202768 -NCGC00090708-05 196712338 tox21-ror-cho-viability-p1 set2 4 -0.44632203 -0.13105431 -0.79636148 -0.63064717 -2.48072803 0.09601004 0.2479745 -0.36152297 -0.78223559 0.86511244 -0.17196398 0.37431759 0.67568121 -8.68911879 -6.10695735 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00274073-01 196712739 tox21-ror-cho-viability-p1 set2 4 2.75883991 1.87070529 -1.32612666 -0.43276292 2.61315281 -0.80204378 2.47309632 1.53388284 0.9766528 0.42359377 1.68914662 -0.54590823 -0.77839933 3.50364074 0.26270774 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1188-38-1 121396 170466164 A N-Carbamyl-L-glutamic acid O=C(N)N[C@@H](CCC(=O)O)C(=O)O Tox21_112544_1 -NCGC00179372-03 196712742 tox21-ror-cho-viability-p1 set2 4 -0.06409385 -0.39667054 0.30164889 1.70847057 -1.12990986 1.27328627 5.64435695 1.72230363 0.88243243 0.45189307 5.95497291 6.71524696 5.77779439 6.20373227 1.11872228 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 536-93-6 102428 170466524 A Eucatropine hydrochloride Cl.CC2CC(OC(=O)C(O)c1ccccc1)CC(C)(C)N2C Tox21_113348_1 -NCGC00260415-01 196712348 tox21-ror-cho-viability-p1 set2 -1.2 3.4761148244 -24.0165102679 0.5 -23.5165102679 4.9549173134 0.9023937961 0.0002853377 3.21048108 2.54841888 3.04513669 -3.12697899 -1.19161136 1.39830277 0.7315889 -2.57338004 -1.12036026 2.89203475 -12.25126947 -32.09709189 -24.50769256 -17.26473399 -20.78718669 1.191E-9 2.663E-9 5.954E-9 1.331E-8 2.977E-8 6.657E-8 1.489E-7 3.3289999999E-7 7.4429999999E-7 0.0000016639999999 0.000003721 0.0000083209999999 0.00001861 0.000041609999999 0.00009304 764-85-2 69819 144210067 F F Nonanoyl chloride ClC(=O)CCCCCCCC Tox21_202869 -NCGC00356981-01 196711949 tox21-ror-cho-viability-p1 set2 4 48.5577336745 20.305982192 1.694017808 22 0.3 0.6503992267 0.0643337468 4.39485344 -0.25498516 -0.19526464 4.77784002 3.35457127 4.65458098 8.10552382 8.51330488 6.33659532 2.49485573 7.8649681 8.44198675 7.13363367 11.44450114 17.17702299 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51384-51-1 4171 251919670 A Metoprolol CC(C)NCC(O)COc1ccc(cc1)CCOC Tox21_303972 -NCGC00159417-06 196711950 tox21-ror-cho-viability-p1 set2 -2.1 62.5631710251 -107.1155856926 -4.478533621 -111.5941193136 1.6266150999 0.9376907062 0.0000276569 -0.02221243 -0.23970479 -6.04140287 -0.76416352 -0.87939021 -0.64911072 -1.07033417 -6.57524583 -10.73343173 -5.57239029 -13.79793366 -12.1153366 -22.57495081 -32.07062098 -84.54099948 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008409 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00256080-01 196710509 tox21-ror-cho-viability-p1 set2 4 -4.17492353 0.84427682 -0.51111482 -0.55859992 -2.89188018 -0.13107125 -2.59342867 -4.19756189 2.66782776 -0.20183034 -0.2764143 0.98194185 -5.2568056 -5.48750347 -5.48345078 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4501-58-0 1252759 144211965 Bc D [(1R)-2,2,3-Trimethylcyclopent-3-en-1-yl]acetaldehyde CC1(C)C(C)=CC[C@@H]1CC=O Tox21_301648 -NCGC00256085-01 196710097 tox21-ror-cho-viability-p1 set2 4 0.6406391501 5.154264244 -4.654264244 0.5 4.9549173134 0.4525674452 0.241042705 -3.41335051 -6.44818082 -1.09461258 -8.46188687 -1.29878589 -2.28203466 -5.15294316 -7.58767286 -0.17186895 1.44728967 -4.73779239 1.60076153 1.66152163 2.02306867 -3.65569176 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 22047-25-2 30914 144212626 A F Acetylpyrazine CC(=O)c1cnccn1 Tox21_302309 -NCGC00255516-01 196710501 tox21-ror-cho-viability-p1 set2 1.4 0.0015355304 20.0117628599 -18.5117628599 1.5 4.9549173134 0.8954818718 0.0004073774 -15.42646905 3.07282125 1.60319262 3.23552331 3.13140078 1.37432068 0.47201811 -1.12182413 0.51831483 0.51659139 0.59557057 0.09697347 0.67981797 2.00556707 2.5054561 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 42482-06-4 534543 144211838 A A 2-Octen-1-ylsuccinic anhydride O=C1OC(=O)CC1CC=CCCCCC Tox21_301521 -NCGC00255551-01 196710504 tox21-ror-cho-viability-p1 set2 4 6.5884252 -1.85947084 5.58328094 5.76659936 4.4116969 4.85709925 2.75900061 2.97698638 2.70828262 5.13184293 2.67963197 1.91142542 5.82513159 6.11477931 -1.79781294 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 650-51-1 23681045 144211630 Sodium trichloroacetate [Na+].ClC(Cl)(Cl)C([O-])=O Tox21_301313 -NCGC00255559-01 196710521 tox21-ror-cho-viability-p1 set2 4 3.4396668 0.05539831 -1.15959229 -0.95402175 -1.18397984 0.10373139 -2.01866544 -3.03201725 -1.12917727 -1.61823752 6.26429569 -3.00072492 6.46000947 -3.10371281 3.27532176 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68916-76-7 144211608 Bran Tox21_301291 -NCGC00256072-01 196710921 tox21-ror-cho-viability-p1 set2 4 -6.0324576 -7.37455615 -4.94311765 -7.90228706 -8.48648447 -7.6736338 -4.08111234 -6.09406172 -2.26641759 -0.65264756 -1.1915559 -1.58058297 -7.58682513 -2.87436292 -2.46783622 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 933-52-8 13617 144211751 F B 2,2,4,4-Tetramethylcyclobutane-1,3-dione CC1(C)C(=O)C(C)(C)C1=O Tox21_301434 -NCGC00255746-01 196710931 tox21-ror-cho-viability-p1 set2 4 0.1278243154 7.4979755439 -9.4979755439 -2 0.9999999999 0.3945574447 0.2777940952 -5.50708752 -10.4698725 -15.41497962 -5.7521937 -7.60151004 -8.48586191 -1.34676972 -10.24394487 -0.14465349 -0.02316563 -4.77972907 1.84784221 -8.44349411 1.24630292 -2.8668604 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 5459-58-5 79571 144212443 A A Butyl cyanoacetate O=C(CC#N)OCCCC Tox21_302126 -NCGC00255146-01 196710934 tox21-ror-cho-viability-p1 set2 4 -5.15235006 -6.06475172 0.31056443 -4.75776153 -5.61664385 -4.68757353 1.30579077 -1.44401379 1.62835709 -4.89058711 -1.23980248 1.46668475 -1.41337675 2.55826619 2.05422723 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26447-10-9 22833320 144212706 F Ammonium xylene sulfonate [NH4+].Cc1c(C)cccc1S(=O)([O-])=O Tox21_302389 -NCGC00094532-06 196706802 tox21-ror-cho-viability-p1 set1 4 0.002206546 15.1983160479 -15.6983160479 -0.5 2.7202212143 0.4060126861 0.2665794376 -13.08193004 -6.63677815 0.67271573 -5.65261048 -0.50699476 0.05925281 -0.42354897 -0.58654529 -0.3067868 -12.77943765 0.89995507 4.16590177 3.96974682 -1.89424501 3.04721816 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00163953-03 196706385 tox21-ror-cho-viability-p1 set1 -3 72.7253077472 -52.2527152043 -1.855280902 -54.1079961063 4.9549173134 0.9222932763 0.000088929 4.02265338 -2.94868566 -3.59764292 -3.47907266 -2.83713874 0.04750069 0.89178138 0.11840364 -1.5611238 -3.55172949 -7.46697528 -3.9238592 -5.17758745 0.10150465 -44.53015564 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00259016-01 196706784 tox21-ror-cho-viability-p1 set1 4 4.66568308 0.96953316 1.32357733 4.62181375 3.58335686 -0.21156185 1.56785182 -2.46921699 1.14376384 17.60621687 7.00255509 -1.52452127 1.79259125 4.0523444 1.30602311 1.173E-9 2.622E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.3299999999E-7 0.0000016389999999 0.000003665 0.000008195 0.00001832 0.000040969999999 0.00009162 121-19-7 5104 144208663 A A 4-Hydroxy-3-nitrophenylarsonic acid O=[N+]([O-])c1cc(ccc1O)[As](O)(O)=O Tox21_201465 -NCGC00259928-01 196706793 tox21-ror-cho-viability-p1 set1 4 0.13534212 -9.03897388 4.73214788 1.44086437 4.2757416 0.44566407 2.80609257 0.4110478 3.30399887 1.23787236 1.01059034 -6.13250126 1.94313861 0.70175693 4.80818583 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 91-62-3 7059 144209577 A Ac 6-Methylquinoline Cc1ccc2ncccc2c1 Tox21_202379 -NCGC00256539-01 196707206 tox21-ror-cho-viability-p1 set1 4 2.08787813 -0.22153704 -0.56219575 -0.26855465 2.00814082 -0.45057266 0.55937332 1.86309225 0.91410071 0.43302808 -6.21492778 1.50019217 1.77791981 1.12476491 0.66503879 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-22-6 5753 144213947 A A Corticosterone OCC(=O)[C@H]4CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_303642 -NCGC00015983-04 196697626 tox21-ror-cho-viability-p1 set1 4 -0.55239156 -0.16599135 -0.39091219 -3.57357783 0.90200346 0.84928876 -2.78801709 5.15249297 2.13327773 1.92433957 3.38186472 0.56630751 1.80229813 0.07709757 -2.04376112 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2062-77-3 11647992 170466426 A Trifluperidol hydrochloride Cl.FC(F)(F)c1cccc(c1)C3(O)CCN(CCCC(=O)c2ccc(F)cc2)CC3 Tox21_111284_1 -NCGC00018221-08 196697607 tox21-ror-cho-viability-p1 set1 4 0.0039041951 5.7912382959 -5.2912382959 0.5 4.0949729863 0.3561581819 0.3337690199 -5.24269858 -4.16956761 -0.61509823 1.66054149 6.17693808 -1.99531573 -4.15939245 1.90945933 -2.77590481 0.30641681 0.62774107 -1.15371862 1.59971548 1.25867282 -3.78835799 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00253621-01 196697617 tox21-ror-cho-viability-p1 set1 4 1.22446731 1.39908448 -1.49349999 2.59314007 3.25114232 3.21263697 2.53343696 0.83713792 0.66181832 3.14443531 3.4230136 0.93307899 2.06610271 1.60277858 -0.59099385 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94158-44-8 56738 170466672 F Ac 1,1-Dimethoxy-2-(2-methoxyethoxy)ethane COC(COCCOC)OC Tox21_113751 -NCGC00249607-02 196697622 tox21-ror-cho-viability-p1 set1 4 -0.46052529 -0.06687737 -6.61844249 -1.03425032 -3.33064795 -2.10805995 -0.10070124 0.29518743 2.4186032 0.43570763 -1.19782627 -1.17143204 0.6797515 -1.17198157 -1.318386 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 28868-76-0 120070 170466696 F Dimethyl chloromalonate COC(=O)C(Cl)C(=O)OC Tox21_113538_1 -NCGC00178404-03 196697254 tox21-ror-cho-viability-p1 set1 4 -0.03713414 2.9603779 3.19390741 3.45221521 5.35673685 4.7731685 2.72169965 1.01111341 -0.59786704 -1.18047213 2.89987746 4.08007712 2.92201621 0.6630405 5.68158141 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 124-94-7 31307 170465188 A Triamcinolone OCC(=O)[C@@]3(O)[C@H](O)C[C@H]2[C@@H]4CCC1=CC(=O)C=C[C@]1(C)[C@@]4(F)[C@@H](O)C[C@@]23C Tox21_111332_1 -NCGC00166237-02 196697260 tox21-ror-cho-viability-p1 set1 4 0.71516591 0.1653507 3.97178645 2.73795179 4.81574254 0.13230532 -1.1094799 4.9489752 -0.71686809 4.34263219 2.96187925 7.63777305 2.93007827 0.47760943 4.53256324 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6968-72-5 71668 170466648 Z Mepiroxol [O-][n+]1cccc(CO)c1 Tox21_112363_1 -NCGC00167429-04 196697281 tox21-ror-cho-viability-p1 set1 4 29.8492948118 13.1536935999 -1.1536935999 12 1.1340999999 0.5988256671 0.0994244316 -0.91070236 -0.50400239 -0.90523065 -2.5689575 -0.26912676 0.25435472 -3.878078 0.95065848 -1.77524607 -2.97438992 0.30603211 -1.03188741 5.34493844 0.05045258 8.58237788 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 85622-93-1 5394 170464968 A Temozolomide NC(=O)c1ncn2C(=O)N(C)N=Nc12 Tox21_112433_1 -NCGC00181342-02 196697311 tox21-ror-cho-viability-p1 set1 4 33.4914596268 10.5294305239 -1.5294305239 9 4.9549173134 0.6453995654 0.0685497396 -2.86460752 2.25588012 -1.14785613 1.31406287 -0.65093487 -4.60785877 -2.37290788 -2.38488935 -1.21262445 -1.17264212 -0.45089021 -1.94553441 -2.18490736 -1.44203052 7.34490934 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 89396-94-1 5485193 170466024 A Imidapril hydrochloride Cl.OC(=O)[C@@H]2CN(C)C(=O)N2C(=O)[C@H](C)N[C@@H](CCc1ccccc1)C(=O)OCC Tox21_112801_1 -NCGC00016959-06 196697313 tox21-ror-cho-viability-p1 set1 4 -1.34796489 4.93679906 0.03034857 -2.19447327 3.34069593 0.4818963 1.19923602 1.66646703 0.61413335 4.35069427 -2.30865199 0.03929812 1.55811627 0.69372121 4.15334658 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 93107-08-5 62999 170464757 A Ciprofloxacin Cl.O=C(O)C2=CN(c1cc(c(F)cc1C2=O)N3CCNCC3)C4CC4 Tox21_110712_1 -NCGC00258253-01 196730061 tox21-ror-cho-viability-p1 set3 4 -2.5748649 -2.26496607 -0.65039592 0.55271317 -0.64598081 0.43082716 0.87155504 -0.61693904 -1.64188566 -0.37199595 -2.57853484 -0.34040739 4.09227705 2.40693819 0.07220642 1.194E-9 2.6689999999E-9 5.968E-9 1.3339999999E-8 2.9839999999E-8 6.672E-8 1.4919999999E-7 3.3359999999E-7 7.4599999999E-7 0.000001668 0.00000373 0.00000834 0.00001865 0.0000417 0.000093249999999 52-89-1 60960 144207897 A F l-Cysteine hydrochloride Cl.O=C(O)[C@@H](N)CS Tox21_200699 -NCGC00257634-01 196729243 tox21-ror-cho-viability-p1 set3 -1.2 19.9395859892 -38.8868788892 -1.5 -40.3868788892 1.8851180601 0.9295775535 0.0000530611 -1.45864409 -1.71943642 0.20415553 -3.25914019 1.73673171 -2.42366792 -3.06347607 -2.06497032 -0.10227913 -0.92415491 -11.66252728 -1.57352835 -26.86260834 -35.49151078 -37.03551431 1.467E-9 3.2809999999E-9 7.337E-9 1.641E-8 3.669E-8 8.203E-8 1.834E-7 4.102E-7 9.172E-7 0.000002051 0.000004586 0.00001025 0.00002293 0.00005127 0.0001146 3520-42-1 62500 144207278 A F C.I. Acid Red 52 [Na+].O=S([O-])(=O)c4cc(ccc4c1c3cc(C)c(cc3[o+]c2cc(N(CC)CC)c(C)cc12)N(CC)CC)S([O-])(=O)=O Tox21_200080 -NCGC00091284-03 196729645 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -20.422134852 1 -19.422134852 3.2974983358 0.906100403 0.0002388432 1.83852454 0.18556668 2.96239989 0.89018616 2.77043852 2.19891066 2.2214576 -0.03418021 1.83395264 1.90088722 -0.02664879 -0.99416486 -1.42356546 -1.97528832 -14.51844571 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00257723-01 196729656 tox21-ror-cho-viability-p1 set3 4 -3.18197425 -0.46315531 -4.74095171 -3.88554633 -4.27849128 -0.451667 -1.31168163 -0.78105457 -5.3625405 0.76362248 -3.82844455 -0.19420941 -2.3797334 1.68071267 2.03254831 1.158E-9 2.5899999999E-9 5.792E-9 1.2949999999E-8 2.896E-8 6.4759999999E-8 1.448E-7 3.238E-7 7.24E-7 0.0000016189999999 0.00000362 0.000008095 0.0000181 0.00004047 0.000090499999999 13014-24-9 25608 144207367 A D 1,2-Dichloro-4-(trichloromethyl)benzene Clc1ccc(cc1Cl)C(Cl)(Cl)Cl Tox21_200169 -NCGC00274059-01 196704533 tox21-ror-cho-viability-p1 set1 4 0.0210603909 -18.4644842 -13.69554266 -10.7128149 -6.40781755 -4.18017992 -4.50685315 -3.70168773 -1.46480201 -1.38957662 -2.74731184 -6.940877 -0.66706791 -0.44882756 -5.6379627 7.42596587 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 121032-29-9 3011155 170464759 A Nelarabine Nc3nc2c(ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)c(OC)n3 Tox21_112714_1 -NCGC00179578-03 196704523 tox21-ror-cho-viability-p1 set1 -3 29.8492948118 -63.1458610578 3.405763332 -59.7400977258 4.9549173134 0.9642408278 0.0000013094 3.08736052 8.16534939 6.44712058 0.30421405 1.10292177 0.46841474 1.47465935 6.57630593 2.58177266 1.4371434 6.44793798 0.34223535 0.04976554 -2.54000643 -53.71938397 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83919-23-7 441336 170464666 A Mometasone furoate ClCC(=O)[C@@]5(OC(=O)c1ccco1)[C@H](C)C[C@@H]3[C@]5(C)C[C@H](O)[C@]2(Cl)[C@@]4(C)C=CC(=O)C=C4CC[C@H]23 Tox21_110705_1 -NCGC00095252-05 196704524 tox21-ror-cho-viability-p1 set1 4 0.81271398 1.4615494 2.34964572 -1.0842347 1.64507203 -0.43115515 1.95119383 -1.23088741 -0.58931027 2.19154058 1.07461982 -2.06428044 1.64055438 -0.8638975 1.61255022 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 515-69-5 1549992 170466208 F Bisabolol CC1=CC[C@@H](CC1)[C@@](O)(C)CC\C=C(/C)C Tox21_111490_1 -NCGC00023902-09 196704539 tox21-ror-cho-viability-p1 set1 4 1.54229236 -1.44183586 -0.75650961 0.52794511 -0.76274098 5.47465595 0.81359739 -0.3148752 1.05325786 7.1711197 6.60133886 0.71975139 5.54160612 -0.15337466 -1.58029175 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63-05-8 6128 170465907 A 4-Androstene-3,17-dione O=C2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_110893_1 -NCGC00091051-04 196704943 tox21-ror-cho-viability-p1 set1 4 33.4914596268 13.642570028 0.857429972 14.5 4.9549173134 0.5059891652 0.1742129128 -1.77707161 0.24427429 1.43294655 1.06046447 -3.45214169 -0.67994479 0.04115022 2.71951335 9.79767067 -1.26362443 0.12615236 2.18885777 0.90284735 1.08254476 12.37102942 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 150-13-0 978 170466660 A 4-Aminobenzoic acid OC(=O)c1ccc(N)cc1 Tox21_111069_1 -NCGC00164529-04 196704945 tox21-ror-cho-viability-p1 set1 4 0.43003104 0.06677767 -6.82176466 -0.47920678 0.97638257 0.16630566 -0.77475629 -0.56798015 -1.14303408 0.40001455 -6.65757085 2.30498936 -0.74761209 2.16519613 0.41748849 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123-94-4 24699 170465522 F 1-Stearoyl-rac-glycerol OCC(O)COC(=O)CCCCCCCCCCCCCCCCC Tox21_112160_1 -NCGC00164128-02 196704952 tox21-ror-cho-viability-p1 set1 4 0.27190787 -0.00420778 1.65746931 0.27673433 -3.34496095 0.18640843 1.49791376 0.33039238 -0.1992246 3.09963111 -3.6697311 0.91262267 0.41007523 1.09692028 4.89861967 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 142-91-6 8907 170465544 F Hexadecanoic acid, 1-methylethyl ester CC(C)OC(=O)CCCCCCCCCCCCCCC Tox21_112085_1 -NCGC00263575-01 196704961 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -21.5498991039 2.5 -19.0498991039 4.0949729863 0.816702716 0.0055410019 1.37124974 8.25621805 3.22356216 2.12620087 1.21385008 4.39417641 -0.1136555 5.22960603 1.65589796 3.99327994 1.50066339 0.75755563 1.2519637 0.14805274 -14.62491592 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 163222-33-1 150311 170465013 B Ezetimibe Fc1ccc(cc1)[C@@H](O)CC[C@H]3C(=O)N(c2ccc(F)cc2)[C@@H]3c4ccc(O)cc4 Tox21_111443_1 -NCGC00159387-03 196705354 tox21-ror-cho-viability-p1 set1 4 0.46059802 -1.2667906 -0.46102582 -1.61709667 -0.80230856 0.96264399 -1.44093515 -6.85804186 0.12391324 1.96181719 0.91635925 1.01995558 1.45490687 -1.11627368 -4.56376646 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13081-34-0 61574 170465561 F Laureth 10s OCCOCCSCCCCCCCCCCCC Tox21_111623_1 -NCGC00357289-01 196702886 tox21-ror-cho-viability-p1 set1 -1.2 0.0958234462 -35.6216104386 -2.144545475 -37.7661559136 1.713743691 0.9100346593 0.0001886972 1.26807153 -2.42008099 -1.00509058 2.93904234 -17.30445001 -0.2018566 -15.56531048 -26.43172007 -31.73280648 -43.50641241 -37.30254064 -40.29328585 -38.05887988 -38.65825189 -30.77645932 5.427E-10 1.213E-9 2.713E-9 6.067E-9 1.357E-8 3.034E-8 6.7829999999E-8 1.517E-7 3.3919999999E-7 7.5839999999E-7 0.000001696 0.0000037919999999 0.000008479 0.00001896 0.000042399999999 143201-11-0 23663992 251919809 F Cerivastatin sodium [Na+].CC(C)c1nc(c(/C=C/[C@@H](O)C[C@@H](O)CC([O-])=O)c(c1COC)c2ccc(F)cc2)C(C)C Tox21_303882 -NCGC00091210-02 196702481 tox21-ror-cho-viability-p1 set1 4 43.2771256911 -13.8905688879 -0.5 -14.3905688879 2.3331733767 0.6363551636 0.0730107699 0.24633023 -0.12508019 1.12484217 1.33023864 -4.99203756 4.86761231 -2.88807807 -5.31347064 0.6214503 -0.07817198 0.14572452 -0.26338706 0.01586128 -7.94215725 -11.99214074 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00258047-01 196702486 tox21-ror-cho-viability-p1 set1 -2.4 70.9679767733 -30.935008112 2 -28.935008112 4.9549173134 0.9211094625 0.0000967255 -0.71652402 -0.97840388 4.62698391 3.7957015 1.98591698 0.61282041 0.94822401 4.95716905 3.2627083 1.34194609 3.32351264 -0.46877102 2.79975114 0.31211419 -22.86250676 1.214E-9 2.715E-9 6.07E-9 1.357E-8 3.035E-8 6.786E-8 1.517E-7 3.393E-7 7.587E-7 0.000001697 0.000003794 0.000008483 0.00001897 0.00004242 0.000094839999999 1192-28-5 14500 144207691 A A Cyclopentanone oxime O\N=C1\CCCC1 Tox21_200493 -NCGC00258393-01 196702491 tox21-ror-cho-viability-p1 set1 4 1.22715595 0.24030198 2.36169749 7.80933908 8.09262248 8.40965583 6.1795622 1.29393473 2.56020201 4.22395434 1.80512238 1.23147464 8.84773882 1.53896683 3.39252004 1.1469999999E-9 2.564E-9 5.734E-9 1.282E-8 2.867E-8 6.411E-8 1.434E-7 3.205E-7 7.168E-7 0.000001603 0.000003584 0.0000080139999999 0.00001792 0.00004007 0.00008959 91-57-6 7055 144208037 A Ac 2-Methylnaphthalene Cc1ccc2ccccc2c1 Tox21_200839 -NCGC00254772-01 196713993 tox21-ror-cho-viability-p1 set2 4 -1.40030613 -1.73299044 0.43604205 -1.39115605 -0.94212537 -1.08844643 -0.54144886 -0.71403942 -2.27222429 -0.97296214 1.34190128 0.96447219 -0.43139626 -0.67388598 -3.40089448 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77501-63-4 62276 144211185 A A Lactofen Clc2cc(ccc2Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+]([O-])=O)C(F)(F)F Tox21_300868 -NCGC00090887-04 196712755 tox21-ror-cho-viability-p1 set2 4 -0.88285515 -0.49787634 2.54203112 -4.54502349 -4.21440185 -2.07679539 2.17345593 -1.63975374 -6.01140962 -5.18299465 -4.0445807 -2.97596728 0.25609556 -10.20178208 -6.2567795 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118-55-8 8361 170465501 F Phenyl salicylate Oc2ccccc2C(=O)Oc1ccccc1 Tox21_113459_1 -NCGC00094532-06 196713585 tox21-ror-cho-viability-p1 set2 4 4.39526854 3.008562 -2.37556968 3.19388008 -1.9178201 2.85276851 -0.67707062 2.8846919 1.5010405 -0.34955426 2.51504893 4.06346966 2.28477332 0.61934509 -1.6820427 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00254176-01 196713987 tox21-ror-cho-viability-p1 set2 -2.4 68.5896218971 -33.202725052 -1 -34.202725052 4.9549173134 0.968183232 6.82E-7 -0.04516241 -1.17425743 -2.65195771 0.92541952 -0.37526777 -1.44777863 -1.75304569 -3.33884076 -1.57276471 -0.92168818 1.60332893 -0.5156241 -1.14034807 -2.42186806 -28.08560421 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-29-3 3036 144210387 A A p,p'-DDT Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl Tox21_300067 -NCGC00254936-01 196713998 tox21-ror-cho-viability-p1 set2 4 -0.50299954 2.42662486 -0.88609839 -1.57764662 -8.95395 0.34066269 0.13727885 1.51171773 0.16544788 1.68007347 2.38495645 -9.76422518 1.5177451 1.79501282 1.62158238 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-45-7 2723650 144211351 A Ac Ethylene thiourea S=C1NCCN1 Tox21_301034 -NCGC00254285-01 196713999 tox21-ror-cho-viability-p1 set2 4 -2.16650305 -3.48282396 -1.21505272 -7.42009404 1.8680691 -8.84644096 -9.06749822 -6.85560357 0.97323232 -4.03908189 -5.0911876 -3.04349257 -1.93133817 -2.16833601 0.14500909 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 628-63-7 12348 144210678 FNS Pentyl acetate CC(=O)OCCCCC Tox21_300360 -NCGC00254337-01 196714000 tox21-ror-cho-viability-p1 set2 -2.1 30.6378586933 -67.2882928268 -10.729981243 -78.0182740698 2.3331733767 0.9484593954 0.0000099195 -9.89782758 -12.23448258 -2.80102804 -15.06533496 -10.7616651 -14.07211037 -16.5896622 -17.46623605 -18.80193703 -9.45295562 -10.49666967 -12.24624067 -23.71928278 -53.35774551 -76.48850399 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-97-6 6001 144210818 A A 7,12-Dimethylbenz(a)anthracene Cc2c1c4ccccc4ccc1c(C)c3ccccc23 Tox21_300500 -NCGC00254917-01 196714004 tox21-ror-cho-viability-p1 set2 4 -0.11294236 -0.61230292 -1.40528855 -2.02294354 -1.01178098 -8.40537104 -5.4523716 -4.74844202 -6.56289924 -4.47455263 -2.36062532 -1.33923704 -5.27392439 0.83342636 1.63722945 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10361-37-2 25204 144211332 Barium chloride Cl[Ba]Cl Tox21_301015 -NCGC00255014-01 196714402 tox21-ror-cho-viability-p1 set2 4 77.4286392264 -24.037350644 1 -23.037350644 0.6999999999 0.7593782578 0.0169499946 0.441088 0.73234094 4.42073163 -0.10453485 0.19329679 1.04527352 0.16867772 0.47388349 0.10404423 0.25859453 -4.04362274 -5.43492761 -5.13216928 -2.79107636 -15.86445887 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 120068-37-3 3352 144211431 A A Fipronil FC(F)(F)S(=O)c1c(N)n(nc1C#N)c2c(Cl)cc(cc2Cl)C(F)(F)F Tox21_301114 -NCGC00164449-04 196714410 tox21-ror-cho-viability-p1 set2 4 -0.04913955 0.6640473 2.2195624 -1.10354115 0.86577354 2.03829548 0.7678686 -0.50231165 3.53070402 0.27500396 0.62287668 3.27576896 7.2380594 6.77079993 4.86171201 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00254008-01 196714030 tox21-ror-cho-viability-p1 set2 4 -0.68070467 0.17049545 -2.3439739 -2.63924079 -6.35247253 -6.05015127 -6.22582931 -9.52886174 -7.92204681 0.3337282 -7.66776578 -2.0741729 -3.077317 -6.33313936 -2.45479774 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-82-9 7622 144210340 FNS Tributylamine CCCCN(CCCC)CCCC Tox21_300020 -NCGC00255104-01 196714018 tox21-ror-cho-viability-p1 set2 4 38.5315576806 18.0307174879 -2.0307174879 16 0.4 0.435047397 0.2390348563 -0.50936605 -2.55086256 0.09924409 -3.34202974 -0.41298932 -1.6918425 0.65079806 1.09796179 -3.35893124 10.2456904 0.72681455 -0.08249123 10.84752409 0.66629794 11.95800954 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 114-26-1 4944 144211524 A A Propoxur CC(C)Oc1ccccc1OC(=O)NC Tox21_301207 -NCGC00254482-01 196714025 tox21-ror-cho-viability-p1 set2 4 0.52126901 -0.01535546 2.69746127 -0.02816061 1.30398244 1.6220609 1.99538379 -1.69544551 0.17047723 1.66684172 0.52651537 2.27332985 4.11883551 2.7513573 0.29270608 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-87-3 1549026 144210673 A Ac Geranyl acetate C\C(C)=C\CCC(\C)=C\COC(C)=O Tox21_300355 -NCGC00163843-03 196711773 tox21-ror-cho-viability-p1 set2 4 -0.47362957 -2.65793515 -2.65431915 -10.81341445 -0.88313577 -1.25050535 -5.71319707 -1.69858451 -2.56945798 -2.14377464 -4.17930368 -8.66592252 0 -16.4828442 -3.98163094 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00357121-01 196711763 tox21-ror-cho-viability-p1 set2 -2.4 38.5707788719 -32.7871248239 1 -31.7871248239 2.3331733767 0.9148950524 0.0001425538 -0.35250636 2.19506066 -0.20961456 2.19003285 -0.14285512 3.38373481 0.63043664 -2.61057896 0.20442308 5.81919714 -2.86335306 3.09024261 0 -18.71808398 -27.32260402 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 767-00-0 13019 251919943 A 4-Hydroxybenzonitrile N#Cc1ccc(O)cc1 Tox21_303855 -NCGC00260410-01 196711764 tox21-ror-cho-viability-p1 set2 4 27.5839434439 -22.218327056 1 -21.218327056 4.9549173134 0.7322941176 0.0321638333 -1.19822403 -7.8912735 0.90758344 0.84078217 1.17011919 0.59185782 1.57000499 1.20886017 3.5468086 3.87515012 0.34498083 6.69642672 0.39346841 -19.34860588 7.18387943 1.19E-9 2.6619999999E-9 5.9519999999E-9 1.331E-8 2.976E-8 6.655E-8 1.4879999999E-7 3.3269999999E-7 7.44E-7 0.0000016639999999 0.00000372 0.0000083179999999 0.0000186 0.00004159 0.000093 693-58-3 12742 144210062 F Ac Nonylbromide CCCCCCCCCBr Tox21_202864 -NCGC00091044-02 196711767 tox21-ror-cho-viability-p1 set2 2.4 65.3244695589 28.7954197041 1.2045802959 30 1.0999999999 0.8382798247 0.0031865501 4.64238245 0.13709571 -1.07951642 2.13668955 -0.28832719 2.68030705 1.16886774 4.36211793 4.08840788 1.32051248 1.72833808 -0.06639198 7.57059739 9.62799261 21.79545362 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00260561-01 196712165 tox21-ror-cho-viability-p1 set2 -2.1 26.6032120037 -68.1320376848 -6.404265384 -74.5363030688 3.1319983358 0.7397465413 0.0226296707 -5.63100345 -6.60773693 -11.17860934 -8.40508271 -5.47709033 -25.9447492 -23.29044426 -14.6897014 0 -14.73494899 0 0 0 -29.5299406 -64.04265384 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49457 144210214 M M NTP Mix69 CT1 62-EQP Tox21_203016 -NCGC00260540-01 196712170 tox21-ror-cho-viability-p1 set2 4 1.6724048383 -20.035152828 4 -16.035152828 4.9549173134 0.7716786991 0.0184041947 -1.39599183 4.35526956 2.29636782 2.8972896 3.95820975 5.12099431 4.02564052 5.63036533 5.05283817 5.31179097 5.72687326 3.73405034 7.78049798 -11.69596069 15.55900373 5.881E-11 1.3149999999E-10 2.9399999999E-10 6.575E-10 1.4699999999E-9 3.288E-9 7.351E-9 1.644E-8 3.676E-8 8.219E-8 1.838E-7 4.1089999999E-7 9.189E-7 0.000002055 0.000004594 118-74-1 8370 144210193 Z Hexachlorobenzene Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl Tox21_202995 -NCGC00260671-01 196712171 tox21-ror-cho-viability-p1 set2 4 0.005420576 -5.8139796999 1.5 -4.3139796999 4.9549173134 0.3285355213 0.3580580601 -0.31976019 3.00387231 -2.2825927 -5.5137869 -5.8654682 -0.22246352 -4.73968935 -3.07244107 -1.77249166 -5.76530934 -5.2619954 -0.94189367 -3.67115351 -12.76164975 0.21286597 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.468E-7 3.2829999999E-7 7.3419999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.00001835 0.00004104 0.00009177 115-86-6 8289 144208709 A A Triphenyl phosphate O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3 Tox21_201511 -NCGC00260404-01 196712173 tox21-ror-cho-viability-p1 set2 4 4.50476405 6.70151754 2.13168172 7.09996147 -1.56824395 6.02073655 3.63579369 -2.09971552 -1.67487553 -0.49239017 4.35687364 6.87463256 -1.50414898 -3.45995119 -1.22038601 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.000041429999999 0.000092629999999 621-59-0 12127 144210056 A A 3-Hydroxy-4-methoxy-benzaldehyde Oc1cc(ccc1OC)C=O Tox21_202858 -NCGC00257405-01 196708045 tox21-ror-cho-viability-p1 set1 -2.4 59.6248306993 -36.3509600999 3.5 -32.8509600999 3.2974983358 0.8641397318 0.0014279774 -0.17541227 6.06447905 1.8297741 3.20313021 5.08930853 1.68761121 2.94327265 8.98541645 6.70301465 -2.27977739 5.3095384 1.40455895 2.2299528 -2.318031 -24.04246675 1.0499999999E-9 2.3479999999E-9 5.25E-9 1.174E-8 2.6249999999E-8 5.869E-8 1.312E-7 2.935E-7 6.562E-7 0.000001467 0.000003281 0.0000073369999999 0.00001641 0.00003668 0.00008203 129299-90-7 180494 144213812 A A Fabesetron hydrochloride Cl.Cc4ncnc4C[C@H]3CCc2c(C)c1ccccc1n2C3=O Tox21_303504 -NCGC00257170-01 196707639 tox21-ror-cho-viability-p1 set1 -2.1 27.3060203028 -80.7303519401 1.3494118165 -79.3809401236 2.8472712143 0.9952661838 0 0.9764159 4.69711649 -0.35736452 1.2556402 -0.40402324 0.88508768 0.62368249 4.39186726 0.40832671 3.40607514 0.25719429 -2.4545941 -17.09332901 -58.82378075 -78.31464718 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 95-32-9 7231 144213595 B Fc 2-(Morpholin-4-yldithio)-1,3-benzothiazole c1cccc2sc(nc12)SSN3CCOCC3 Tox21_303278 -NCGC00256842-01 196708036 tox21-ror-cho-viability-p1 set1 4 3.68070192 0.14840516 2.97681235 3.55356773 4.50979203 0.61133442 0.37415718 0.29419156 1.52793154 4.07698317 1.83775489 0.55224449 3.89087497 3.84506732 4.97816849 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13466-78-9 26049 144212949 Fns 3-Carene CC2(C)C1CC=C(C)CC12 Tox21_302632 -NCGC00257499-01 196708041 tox21-ror-cho-viability-p1 set1 4 0.92234631 -2.12445939 -0.47522617 -0.05253159 -0.0469714 -4.3974638 -2.1100322 -0.44375876 -2.13512825 0.33773675 -1.78167785 -1.03633367 -1.74511984 -0.51314828 -2.03755203 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-16-0 7979 144213679 A Ac Triethylene glycol dimethacrylate O=C(OCCOCCOCCOC(=O)C(=C)C)C(=C)C Tox21_303364 -NCGC00025341-06 196697450 tox21-ror-cho-viability-p1 set1 4 -3.30967415 -2.12350778 -1.98135052 -4.04910939 -3.71017027 -0.270197 0.09315026 -2.73570978 -7.79424196 -1.13503107 0.28342881 -1.0107087 -2.98421399 -5.0862401 -5.46019452 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 75695-93-1 3784 170465070 A Isradipine O=C(OC)C3=C(C)NC(C)=C(C(=O)OC(C)C)C3c1cccc2nonc12 Tox21_110690_1 -NCGC00016000-18 196697407 tox21-ror-cho-viability-p1 set1 -1.2 0.16785492 -54.3058353876 1.8055910399 -52.5002443477 3.9294729863 0.9530194361 0.0000059675 0.39984879 2.79072817 3.61051671 1.16981454 1.72744935 0.18921157 1.42954972 -24.91868911 -54.95904351 -55.01578869 -54.15441669 -52.68780007 -56.20586196 -58.33357289 -32.4558448 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97-77-8 3117 170464767 A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_110280_1 -NCGC00095166-04 196697410 tox21-ror-cho-viability-p1 set1 4 0.0003661084 13.5859832159 -13.5859832159 0 4.9549173134 0.6890263326 0.0440594313 -10.07165268 0.06467072 -1.68411755 0.26217268 1.16413525 -1.3832558 -0.37428462 -2.37715758 -0.88662452 -1.22350783 -0.11296066 0.52193483 1.14882922 3.89526851 3.56949304 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 2971-90-6 18087 170465668 A Clopidol Oc1c(Cl)c(C)nc(C)c1Cl Tox21_111465_1 -NCGC00167496-03 196697420 tox21-ror-cho-viability-p1 set1 -2.2 23.7101376556 -66.7088571306 2.127075453 -64.5817816776 1.21 0.9455845964 0.0000133385 1.25044899 8.53289876 2.20642302 1.10534956 5.9522855 0.09506395 -0.9583916 6.54833354 -1.68082308 -0.24834864 -1.46458024 -9.00972268 -14.90212128 -23.94679443 -48.92559218 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61-73-4 6099 170465461 A Methylene blue [Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C Tox21_112497_1 -NCGC00159416-04 196697459 tox21-ror-cho-viability-p1 set1 4 0.50172758 3.6956738 -2.66120518 -3.7518431 2.26470534 0.60992618 -3.53366491 -11.15151218 -2.40523087 -4.46939183 0.67737938 -0.4825447 -5.14217003 0.31730249 2.30737876 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 434-22-0 9904 170466348 A Nandrolone O=C4CC[C@H]3C(CC[C@@H]1[C@@H]3CC[C@]2(C)[C@@H](O)CC[C@@H]12)=C4 Tox21_113167_1 -NCGC00260315-01 196724596 tox21-ror-cho-viability-p1 set3 4 -1.26092646 6.93790052 6.15137857 -2.64688405 7.10333409 1.0526686 4.74370727 2.73664746 1.192284 5.06501999 3.64695618 -3.13321455 5.88360373 5.38038893 5.75228353 3.234E-10 7.2319999999E-10 1.6169999999E-9 3.6159999999E-9 8.0859999999E-9 1.8079999999E-8 4.043E-8 9.0399999999E-8 2.021E-7 4.5199999999E-7 0.000001011 0.0000022599999999 0.000005053 0.0000113 0.000025269999999 112-39-0 8181 144209966 Fns Methyl hexadecanoate O=C(CCCCCCCCCCCCCCC)OC Tox21_202768 -NCGC00259055-01 196706202 tox21-ror-cho-viability-p1 set1 4 -0.81400902 -2.37493165 -0.2743886 0.74141933 0.08477065 -0.45176298 0.12756954 -0.82818234 4.57436098 -5.36642639 -3.37923058 0.72044654 -5.02797234 1.21536358 0.66467677 1.2379999999E-9 2.768E-9 6.189E-9 1.3839999999E-8 3.0949999999E-8 6.92E-8 1.547E-7 3.4599999999E-7 7.7359999999E-7 0.00000173 0.000003868 0.00000865 0.000019339999999 0.00004325 0.000096709999999 288-32-4 795 144208702 A A Imidazole c1cncn1 Tox21_201504 -NCGC00018221-08 196706188 tox21-ror-cho-viability-p1 set1 4 -14.22528871 0.49405111 -14.13289328 -3.42389393 1.62901148 0.45662225 -2.9729793 0.39561678 1.77306246 0 -10.32579881 -0.31487889 -4.08925105 -6.43736104 -9.40433905 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00091839-03 196706194 tox21-ror-cho-viability-p1 set1 4 34.3762428541 -11.135823384 0.5 -10.635823384 3.2474983358 0.6596996963 0.0590823199 3.29594158 1.52932861 -0.45902363 -0.43105277 1.35671998 -6.54900537 1.05535907 0.28519568 4.39124145 0 1.42872945 1.11298244 -1.2241432 -6.62365474 -10.52985282 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00258977-01 196706199 tox21-ror-cho-viability-p1 set1 4 -0.79613891 8.99013221 5.28313526 5.94060227 8.39477103 -1.12576838 3.14880923 3.28488984 -2.41789488 4.08953855 0.53024337 -1.86438297 0.40799294 4.90232442 4.46742563 1.166E-9 2.6069999999E-9 5.8279999999E-9 1.303E-8 2.9139999999E-8 6.516E-8 1.457E-7 3.2579999999E-7 7.286E-7 0.000001629 0.0000036429999999 0.0000081449999999 0.00001821 0.00004073 0.00009107 87-62-7 6896 144208624 A Fc 2,6-Dimethylaniline Cc1cccc(C)c1N Tox21_201426 -NCGC00259238-01 196706608 tox21-ror-cho-viability-p1 set1 4 2.90155382 2.67676566 -0.23103024 0.01182443 -0.74534849 -5.30036657 -0.78386349 -0.20025869 0.97514102 5.14211173 -4.74390319 -0.74139763 1.12129488 -2.09456208 0.18931466 1.182E-9 2.6429999999E-9 5.91E-9 1.322E-8 2.955E-8 6.608E-8 1.4779999999E-7 3.304E-7 7.388E-7 0.0000016519999999 0.0000036939999999 0.0000082599999999 0.000018469999999 0.000041299999999 0.00009235 71125-38-7 54677470 144208887 A A Meloxicam Cc3cnc(NC(=O)C2=C(O)c1ccccc1S(=O)(=O)N2C)s3 Tox21_201689 -NCGC00259300-01 196706609 tox21-ror-cho-viability-p1 set1 4 2.2454503 0.8323879 -0.65738576 1.64860988 4.83280038 1.10179643 3.52021021 3.20082092 -2.06846605 0.42588718 2.85575436 2.75899036 0.34860167 2.4689697 1.05654541 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.299E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.00001844 0.00004124 0.00009222 94-75-7 1486 144208949 A A 2,4-Dichlorophenoxyacetic acid Clc1cc(Cl)ccc1OCC(=O)O Tox21_201751 -NCGC00167437-02 196704550 tox21-ror-cho-viability-p1 set1 4 -1.9108571 3.1535113 0.77853839 -2.43470187 3.61652102 -1.92665845 0.24012721 -0.86391292 -5.33288352 -6.2012961 0.19442938 1.5586306 0.27950327 0.93908819 -5.1593313 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 132907-72-3 107999 170465928 A Ramosetron hydrochloride Cl.O=C(c2cn(C)c1ccccc12)[C@H]3Cc4ncnc4CC3 Tox21_112441_1 -NCGC00257773-01 196703734 tox21-ror-cho-viability-p1 set1 -2.1 61.130564862 -101.5732924631 -5.912346519 -107.4856389821 3.9899729863 0.9300400824 0.0000511763 -7.93576596 -1.23462763 -8.80304572 -1.12838868 -16.87327512 -7.24321895 -15.55653505 -12.2379115 -2.06738611 -6.93867906 3.18806842 -0.39534192 1.71398089 -22.88435339 -90.93539677 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 538-71-6 10866 144207417 A A Domiphen bromide [Br-].CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 Tox21_200219 -NCGC00260440-01 196703739 tox21-ror-cho-viability-p1 set1 4 24.4603135873 -20.085798856 -1 -21.085798856 0.6 0.8401053008 0.0030384647 0.05497393 -1.50867534 -2.31050709 -0.86479266 1.63593918 -1.15284887 -4.62679244 -5.72798242 -4.53853057 -3.24813235 -6.13037664 -4.7458038 -9.66146989 -15.90483238 -13.89073658 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.962E-8 6.622E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 480-22-8 10187 144210092 F F 1,8,9-Trihydroxyanthracene Oc2c3c(cc1cccc(O)c12)cccc3O Tox21_202894 -NCGC00259573-01 196704130 tox21-ror-cho-viability-p1 set1 -2.3 38.6884823325 -97.807431961 -5.744549531 -103.551981492 0.6 0.7107758386 0.3339899803 -7.57517292 -0.1047434 -3.81508952 -10.89596595 -11.39898161 -0.17204252 -8.21821063 -12.13350922 -10.21480532 -12.49973179 -55.30609668 -26.29223681 16.2209355 -30.39430657 -86.29331791 1.183E-9 2.6459999999E-9 5.916E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3069999999E-7 7.395E-7 0.0000016539999999 0.0000036979999999 0.000008268 0.000018489999999 0.00004134 0.000092439999999 3524-68-3 19042 144209222 D Pentaerythritol triacrylate O=C(C=C)OCC(COC(=O)C=C)(CO)COC(=O)C=C Tox21_202024 -NCGC00159476-09 196704551 tox21-ror-cho-viability-p1 set1 -2.2 23.7101376556 -37.4322393803 -8.873363944 -46.3056033243 1.9673362061 0.8581615291 0.0017426541 -17.86411558 -12.41739277 -10.61766108 -8.68646896 -8.77323698 -5.79386978 -8.32871899 -6.52398517 -6.59547245 -9.19093705 -8.65069586 -4.06113662 -11.88898074 -26.84653538 -37.73151767 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87-10-5 14868 170465542 A Tribromsalan Oc1c(cc(Br)cc1Br)C(=O)Nc2ccc(Br)cc2 Tox21_111700_1 -NCGC00017280-23 196704559 tox21-ror-cho-viability-p1 set1 4 -3.06083425 -1.30728209 -2.80849347 -1.78909422 1.34749492 -1.4821277 -2.12164915 1.14376322 -2.07782101 -0.53221498 -0.38720642 -3.27460295 1.35879463 -0.88121342 1.74466913 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 302-79-4 444795 170465045 B all-trans-Retinoic acid CC=1CCCC(C)(C)C=1/C=CC(\C)=C\C=C\C(\C)=C\C(=O)O Tox21_110812_1 -NCGC00168262-02 196717316 tox21-ror-cho-viability-p1 set2 4 0.7242990444 -8.402159988 0 -8.402159988 4.9549173134 0.6498813827 0.076173097 2.22563433 0.72173289 -4.46603184 -3.05101044 1.89388168 -1.77333754 4.11948165 0.46612121 -7.37632612 -14.50179999 -7.24313263 -8.04272746 -6.73210624 -4.28053606 1.90016062 1.4959999999E-9 3.346E-9 7.4819999999E-9 1.6729999999E-8 3.7409999999E-8 8.366E-8 1.8709999999E-7 4.183E-7 9.353E-7 0.000002091 0.000004676 0.00001046 0.000023379999999 0.00005228 0.0001169 72739-14-1 11956149 144206369 A C (-)- (S)-Cathinone hydrochloride Cl.O=C([C@H](C)N)c1ccccc1 Tox21_112816 -NCGC00257961-01 196716088 tox21-ror-cho-viability-p1 set2 -2.1 61.1927368097 -79.9647328081 -2.370237033 -82.3349698411 2.8472712143 0.9371527935 0.0000289749 5.56981742 0.11270875 0.59613497 -2.25532523 1.9991886 0 -4.36162557 -5.96989907 -5.68281889 -8.93204692 -3.08002667 -10.67562621 -3.16326929 -22.81413301 -63.13255291 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.953E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008253 0.000018449999999 0.00004127 0.00009227 7783-00-8 1091 144207605 Fns Selenious acid O=[Se](O)O Tox21_200407 -NCGC00163843-03 196716506 tox21-ror-cho-viability-p1 set2 4 -0.97647372 -1.2524992 -0.56665156 0.91265303 -1.67073929 -0.99614631 -0.21117465 0.90678844 -1.89934743 -0.14154828 -4.50744817 -0.94531577 -0.74039294 -0.72952184 -5.02413096 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00013273-03 196717313 tox21-ror-cho-viability-p1 set2 4 0.0334914596 9.016425828 -9.516425828 -0.5 1.21 0.637768089 0.0719215724 -3.58779836 -12.81121753 -10.16627463 -13.76368819 -3.67526538 -3.73771857 -4.89799928 -1.32726258 -1.06780757 -4.07721993 -0.36394185 0.77809105 -1.7838089 2.69748055 -0.4782727 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 524-36-7 10664 170466828 Z Pyridoxamine dihydrochloride Cl.Cl.Oc1c(CN)c(cnc1C)CO Tox21_110020_1 -NCGC00258319-01 196716095 tox21-ror-cho-viability-p1 set2 4 2.14749852 2.05853048 0.44065114 2.22224329 2.90236342 2.90400713 -2.15099915 -0.52792424 -1.72476401 1.05883637 0.36808426 -0.00533851 -3.2478016 1.73315278 2.30578485 1.1989999999E-9 2.6819999999E-9 5.997E-9 1.3409999999E-8 2.999E-8 6.705E-8 1.4989999999E-7 3.352E-7 7.496E-7 0.000001676 0.000003748 0.000008381 0.000018739999999 0.00004191 0.00009371 2304-30-5 75311 144207963 A A Tetrabutylphosphonium chloride [Cl-].CCCC[P+](CCCC)(CCCC)CCCC Tox21_200765 -NCGC00258046-01 196715677 tox21-ror-cho-viability-p1 set2 4 1.24768404 2.20263559 1.30526681 1.65892165 3.25251479 10.97216055 -1.24864946 0.83681295 2.95396733 1.27294296 3.46464033 0 2.32406642 3.16523168 3.94048876 1.185E-9 2.6499999999E-9 5.9249999999E-9 1.325E-8 2.9629999999E-8 6.625E-8 1.481E-7 3.312E-7 7.406E-7 0.000001656 0.0000037029999999 0.000008281 0.00001852 0.0000414 0.00009258 67-48-1 6209 144207690 A Choline chloride [Cl-].C[N+](C)(C)CCO Tox21_200492 -NCGC00257826-01 196715683 tox21-ror-cho-viability-p1 set2 4 3.90801134 -0.13719063 -0.00762421 -0.88996035 1.85986819 2.29728449 3.27172574 3.92030814 5.70278659 7.03992631 4.95582296 -12.28951773 3.07276754 4.32649126 6.79682809 1.158E-9 2.5899999999E-9 5.792E-9 1.2949999999E-8 2.896E-8 6.475E-8 1.448E-7 3.238E-7 7.24E-7 0.0000016189999999 0.00000362 0.0000080939999999 0.0000181 0.00004047 0.000090499999999 104-55-2 307 144207470 A A 3-Phenylprop-2-enal O=CC=Cc1ccccc1 Tox21_200272 -NCGC00257954-01 196715686 tox21-ror-cho-viability-p1 set2 4 -2.59322362 -4.4308601 -6.66579539 -1.32218396 -3.75035626 0.59439095 -4.81468511 -2.86704777 -0.06900592 -2.73114975 0.69169956 3.03609807 -2.14875697 1.513385 0.87352873 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008241 0.000018429999999 0.00004121 0.00009214 5989-27-5 440917 144207598 FNS D-Limonene CC1=CC[C@@H](CC1)C(C)=C Tox21_200400 -NCGC00258063-01 196716099 tox21-ror-cho-viability-p1 set2 -2.4 47.9657689683 -35.190397272 2 -33.190397272 1.4787409999 0.9475611335 0.0000109596 0.19955905 0.83267868 3.3912164 1.11181937 3.56201655 4.61023579 0.45733048 4.96060836 3.92322238 0.85409474 -1.05662514 0.14632003 -5.99890768 -11.74440139 -24.32533106 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.53E-8 1.4599999999E-7 3.265E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.000008162 0.00001825 0.00004081 0.00009125 73590-58-6 4594 144207707 D Omeprazole Cc3c(OC)c(C)cnc3CS(=O)c1nc2cc(ccc2n1)OC Tox21_200509 -NCGC00258094-01 196716102 tox21-ror-cho-viability-p1 set2 -2.2 43.3211400593 -39.929983848 2 -37.929983848 2.3331733767 0.9680551433 6.95E-7 1.22404058 0.5592214 3.15072987 1.32167817 4.03547889 3.28932671 1.4925881 4.31759105 3.60355711 -1.65738499 1.29363547 -0.85104327 -0.18405183 -17.47812541 -32.02498654 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.952E-8 6.6E-8 1.476E-7 3.3E-7 7.379E-7 0.0000016499999999 0.00000369 0.0000082499999999 0.000018449999999 0.00004125 0.000092239999999 1085-12-7 14138 144207738 A A Heptylparaben Oc1ccc(cc1)C(=O)OCCCCCCC Tox21_200540 -NCGC00258491-01 196716114 tox21-ror-cho-viability-p1 set2 4 -2.01799366 -3.50927569 -4.37799351 -4.55256921 0.31343782 0.04873107 -1.97053359 1.37184757 -3.48811957 0.30936821 0.3415169 -2.51680782 -2.39343331 1.63330334 -1.74515751 1.175E-9 2.628E-9 5.875E-9 1.314E-8 2.938E-8 6.569E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.00004106 0.0000918 89-69-0 6983 144208135 A Ac 2,4,5-Trichloronitrobenzene Clc1cc([N+]([O-])=O)c(Cl)cc1Cl Tox21_200937 -NCGC00258510-01 196716509 tox21-ror-cho-viability-p1 set2 4 63.6881739073 13.099134624 -2.099134624 11 2.6384283767 0.8113271722 0.0064416306 -1.55510154 -0.62036935 -2.88985488 -3.29041091 -1.71917823 -2.31983756 -3.21123029 0.92347036 -1.67346762 -3.41594552 -0.37980913 -2.7579532 -1.21247555 1.1683159 7.58074955 1.221E-9 2.7309999999E-9 6.107E-9 1.366E-8 3.054E-8 6.8279999999E-8 1.5269999999E-7 3.4139999999E-7 7.634E-7 0.000001707 0.000003817 0.000008535 0.00001909 0.00004268 0.00009543 107-14-2 7856 144208155 A Bc Chloroacetonitrile ClCC#N Tox21_200957 -NCGC00025262-02 196716930 tox21-ror-cho-viability-p1 set2 4 -2.35076447 -1.6176939 -5.10732485 -3.05345422 -2.32882311 -2.10638424 -2.75814086 -5.84024575 -2.492757 -5.63110889 -3.07679486 -7.7368795 -0.75751781 -2.95680988 -9.29455857 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 81098-60-4 2769 170465200 A Cisapride Clc1cc(c(OC)cc1N)C(=O)NC3CCN(CCCOc2ccc(F)cc2)CC3OC Tox21_110699_1 -NCGC00090776-02 196709278 tox21-ror-cho-viability-p1 set2 4 1.53909985 3.13007977 4.45901644 -0.73859947 0.45639109 -0.18647585 -1.56015994 0.29871115 1.82032847 0.06239931 1.73046889 1.430926 4.28901717 -1.16176106 2.0194019 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00259113-01 196708870 tox21-ror-cho-viability-p1 set2 -2.4 68.8687250228 -30.921479136 -0.5 -31.421479136 4.9549173134 0.8252183964 0.004478499 2.97949533 -5.35937524 -0.85144084 -4.18706307 -0.72499938 -3.2395041 -5.74689519 2.42433746 2.42383462 2.46846605 -2.13223968 2.37822632 -0.5863894 -1.66992079 -25.76789928 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.324E-8 2.959E-8 6.618E-8 1.4799999999E-7 3.309E-7 7.399E-7 0.0000016539999999 0.0000036989999999 0.000008272 0.0000185 0.00004136 0.00009248 53-03-2 5865 144208762 A A Prednisone OCC(=O)[C@@]3(O)CC[C@H]2[C@@H]4CCC1=CC(=O)C=C[C@]1(C)[C@H]4C(=O)C[C@@]23C Tox21_201564 -NCGC00259635-01 196708871 tox21-ror-cho-viability-p1 set2 4 -3.28889124 -0.52596255 2.37455623 2.23515161 -2.1652484 -0.06970311 -0.54036532 -1.65502562 -2.09202894 -0.75852839 -0.30990784 0.0446538 3.69678287 0.09081105 3.37254357 1.164E-9 2.603E-9 5.8199999999E-9 1.301E-8 2.91E-8 6.507E-8 1.4549999999E-7 3.253E-7 7.275E-7 0.0000016269999999 0.0000036369999999 0.000008134 0.00001819 0.00004067 0.00009094 18328-90-0 87587 144209284 FNS N-Ethyl-2-methyl-2-propen-1-amine C=C(C)CNCC Tox21_202086 -NCGC00259773-01 196708885 tox21-ror-cho-viability-p1 set2 -2.4 50.8380125849 -30.363988796 -0.5 -30.863988796 1.78848746 0.9527536493 0.0000062059 0.98172264 -0.11635431 0.27550664 -0.36484592 -0.78203378 -0.02571697 -4.81937167 -1.08023266 0.53399659 1.18061937 0.43630421 -2.9937251 -4.42432744 -13.1376342 -23.63665733 1.226E-9 2.742E-9 6.131E-9 1.371E-8 3.066E-8 6.855E-8 1.5329999999E-7 3.4269999999E-7 7.664E-7 0.0000017139999999 0.000003832 0.000008568 0.00001916 0.00004284 0.0000958 91-94-1 7070 144209422 A A 3,3'-Dichlorobenzidine Nc1ccc(cc1Cl)c2ccc(N)c(Cl)c2 Tox21_202224 -NCGC00259653-01 196709286 tox21-ror-cho-viability-p1 set2 4 0.29694003 -0.35017717 -1.23954144 1.58060458 1.09792184 -2.463237 0.97464782 -0.48769663 0.3995194 -0.47825431 -1.38911422 1.00627036 0.59196755 1.15032666 3.11767293 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9569999999E-8 6.613E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003697 0.000008266 0.00001848 0.00004133 0.000092409999999 24800-44-0 22833317 144209302 I A Tripropylene glycol OC(OC(C)COC(O)CC)CC Tox21_202104 -NCGC00259072-01 196709292 tox21-ror-cho-viability-p1 set2 4 0.76732428 -1.43803711 -1.97795488 -3.10037783 -2.896287 2.58235693 -0.84627749 -0.35006533 2.78578637 -0.25038006 -3.1411722 0.06921846 -3.04020779 2.53457423 2.16136156 1.1699999999E-9 2.617E-9 5.851E-9 1.3079999999E-8 2.926E-8 6.542E-8 1.463E-7 3.271E-7 7.314E-7 0.0000016359999999 0.000003657 0.000008178 0.00001829 0.000040889999999 0.00009143 554-00-7 11123 144208720 A A 2,4-Dichloroaniline Clc1cc(Cl)c(N)cc1 Tox21_201522 -NCGC00259209-01 196709303 tox21-ror-cho-viability-p1 set2 4 68.1713220381 -17.354624532 1 -16.354624532 4.9549173134 0.8536969122 0.002045067 0.67852968 0.44587107 -1.26341118 1.03361944 1.49922896 0.52180585 -1.37130666 0.17770931 2.38636039 4.5223232 1.52673335 1.73918787 1.43003428 1.82546427 -13.21218711 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003668 0.000008201 0.00001834 0.000041009999999 0.00009169 2451-62-9 17142 144208858 A B Triglycidyl isocyanurate O=C4N(CC1CO1)C(=O)N(CC2CO2)C(=O)N4CC3CO3 Tox21_201660 -NCGC00091632-02 196709696 tox21-ror-cho-viability-p1 set2 4 48.5577336745 -12.078481928 2 -10.078481928 3.0654483358 0.8215238134 0.0050338845 3.33483286 0.73995988 0.21497903 1.45582742 1.69108377 0.97144273 4.91621407 0.83499438 2.81515254 0.26876062 3.2000763 1.30463007 2.3296798 -2.83554162 -8.39873494 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00255581-01 196710530 tox21-ror-cho-viability-p1 set2 4 7.30594354 1.58278494 0.90853692 -0.47357012 0.85052199 0.7525443 1.16410503 2.41676486 0.05473026 -0.4111186 2.30703494 2.3155953 1.92743214 3.44735435 0.56878095 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111991-09-4 73281 144212159 F F Nicosulfuron O=S(=O)(NC(=O)Nc1nc(OC)cc(OC)n1)c2ncccc2C(=O)N(C)C Tox21_301842 -NCGC00256057-01 196710532 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -87.5821579486 -1.219383137 -88.8015410856 4.5044702849 0.9858658608 6.3E-9 -1.79092948 -5.83959045 -0.62448381 -3.89282736 -3.08273815 -0.51929727 -0.06598062 1.30797994 -4.25830031 0.61075545 -0.36510388 1.71641781 -2.15121169 -8.80900127 -70.47741356 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18924-66-8 12942137 144211551 A A 2,2'-(Tetradecylimino)diethanol OCCN(CCCCCCCCCCCCCC)CCO Tox21_301234 -NCGC00255192-01 196710551 tox21-ror-cho-viability-p1 set2 4 -4.0794469 -1.50429982 -0.5963905 0.33488334 -1.51792371 -1.13401056 -7.43048958 -9.14202828 0.20077012 -3.9416171 -3.48731001 0.08606671 -1.8635571 -1.9524171 -9.89892827 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69045-78-9 50293 144211563 A F 2-Chloro-5-trichloromethylpyridine ClC(Cl)(Cl)c1cnc(Cl)cc1 Tox21_301246 -NCGC00259097-01 196708491 tox21-ror-cho-viability-p1 set2 4 -1.30769753 -3.29970611 -0.31441748 -3.29389076 -2.07632101 -0.12129603 -0.34736281 1.12895858 -2.34404495 -0.3535318 -1.98070869 -0.30565889 0.18430914 -0.00612217 0.84095898 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.9719999999E-8 6.6449999999E-8 1.486E-7 3.3219999999E-7 7.429E-7 0.0000016609999999 0.000003714 0.0000083059999999 0.00001857 0.00004153 0.00009286 556-61-6 11167 144208746 AC D Methyl isothiocyanate C\N=C=S Tox21_201548 -NCGC00357217-01 196724265 tox21-ror-cho-viability-p1 set3 4 -2.52856291 -4.77235868 -0.96732677 -4.40668748 0.16533912 -0.22730773 3.59711616 -0.65222922 -0.40288869 -4.55362439 3.73287162 -0.78709741 -2.27256518 2.60730602 2.51683115 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3388-04-3 18819 251919778 F beta-(3,4-Epoxycyclohexyl)ethyltrimethoxysilane CO[Si](CCC1CC2OC2CC1)(OC)OC Tox21_303998 -NCGC00091080-03 196724261 tox21-ror-cho-viability-p1 set3 4 -2.19978018 5.39962286 7.08118155 -12.78554114 2.95553966 -14.30617345 5.62032548 -13.15419147 -8.30390837 -14.1897716 5.84953658 4.17979672 0.60402327 0.97563455 -4.23696462 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00260523-01 196724267 tox21-ror-cho-viability-p1 set3 4 0.147472021 -6.560495536 6 -0.560495536 4.9549173134 0.4420696526 0.2325592148 -4.63374628 2.58983826 6.22042507 8.61012889 8.37707981 9.01372256 8.71125658 9.17370636 0.34358147 -0.68982252 1.40973321 -2.95481547 0.97423408 0.68615318 -1.36889604 2.9779999999E-10 6.658E-10 1.489E-9 3.329E-9 7.4439999999E-9 1.665E-8 3.722E-8 8.323E-8 1.8609999999E-7 4.161E-7 9.3049999999E-7 0.000002081 0.0000046529999999 0.0000104 0.00002326 10102-18-8 24934 144210175 Sodium selenite [Na+].[Na+].[O-][Se]([O-])=O Tox21_202977 -NCGC00356939-01 196724673 tox21-ror-cho-viability-p1 set3 4 48.5577336745 -27.45737984 14.5 -12.95737984 1.98874246 0.6525408596 0.062589417 11.75892503 5.33907903 5.42197655 13.77668235 18.43293946 17.27324019 14.87968272 19.42846507 18.96774378 16.51750644 19.75002129 14.44615704 8.8673982 4.03507221 -7.4644832 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1879-09-0 15884 251919763 A 6-tert-Butyl-2,4-dimethylphenol CC(C)(C)c1cc(C)cc(C)c1O Tox21_303705 -NCGC00260417-01 196724679 tox21-ror-cho-viability-p1 set3 4 0.0611305649 7.3221446599 -3.8221446599 3.5 2.1210667061 0.7419922489 0.022258737 -5.68512055 -1.03425974 -3.81961027 -5.00424246 -2.50149571 0.61972625 1.20196828 4.91398157 2.9188447 4.63563003 5.42353463 -1.19412647 2.12949119 4.34169587 6.53765773 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.0000036889999999 0.000008248 0.00001844 0.00004124 0.00009222 7787-56-6 62672 144210069 Beryllium sulfate tetrahydrate O.O.O.O.[Be+2].[O-]S([O-])(=O)=O Tox21_202871 -NCGC00260057-01 196724686 tox21-ror-cho-viability-p1 set3 4 0.0021800277 10.829939012 -7.829939012 3 1.4780888099 0.4362490216 0.2397733148 -4.85828251 -1.43008948 2.02215329 0.79402578 2.91009759 2.76037247 2.70798379 0.28927671 9.15016426 4.24770933 4.6764578 4.49629162 -2.13887125 0.28675529 4.04797849 1.185E-9 2.649E-9 5.923E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 992-59-6 13816 144209706 F F C.I. Direct Red 2 [Na+].[Na+].[O-]S(=O)(=O)c5cc(/N=N/c1ccc(cc1C)c4ccc(/N=N/c2cc(c3ccccc3c2N)S([O-])(=O)=O)c(C)c4)c(N)c6ccccc56 Tox21_202508 -NCGC00160475-02 196725084 tox21-ror-cho-viability-p1 set3 4 -1.88773471 -4.83886679 11.20919436 -4.78105324 -4.78794918 -8.16371777 15.26470842 2.83885854 13.28419344 -9.64626641 -5.40786301 2.46400275 -0.1745321 2.13326022 -6.14499898 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 886-08-8 5390109 170466235 D Norletimol Oc2ccccc2/C=N/Cc1ccccc1 Tox21_111839_1 -NCGC00253732-01 196725108 tox21-ror-cho-viability-p1 set3 2.4 37.5780357627 26.905742684 3.094257316 30 4.9549173134 0.7021968129 0.0371964534 5.2863184 -2.00478557 -1.58962964 1.52353068 0.24254595 -0.23121249 9.92715895 7.89470327 6.55861097 5.63878282 0.12184176 3.53509331 3.85349782 3.31020145 24.25571287 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5050-41-9 81669 170466743 Z F 1-(2-Chloroethyl)pyrrolidine ClCCN1CCCC1 Tox21_113851 -NCGC00015659-14 196725501 tox21-ror-cho-viability-p1 set3 3 29.8492948118 60.9651721778 -2.7069789599 58.2581932179 4.9549173134 0.959011688 0.0000028087 2.91023304 -0.92532285 3.82879113 -0.21022101 -6.0058158 -4.79047154 -4.43023091 -3.04033887 -4.57409123 -1.42933536 -4.7886923 -2.68987933 -4.3799946 4.17282801 51.95354802 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5370-01-4 21467 170464740 Mexiletene hydrochloride Cl.CC(N)COc1c(C)cccc1C Tox21_111249_2 -NCGC00091285-03 196725504 tox21-ror-cho-viability-p1 set3 4 0.0026603212 -10.5383959399 8 -2.5383959399 0.6999999999 0.7684626789 0.0197411648 5.54495018 3.54077109 3.41027728 -1.06467275 1.23764558 -0.69873556 -2.15016563 -1.16643736 -0.19637346 -5.86532995 -1.14375906 -2.1649212 -2.53495141 -2.47289953 0.49903582 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 538-23-8 10850 170465841 F Tricaprylin O=C(CCCCCCC)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC Tox21_111110_1 -NCGC00091057-05 196725508 tox21-ror-cho-viability-p1 set3 1.2 0.0749780386 38.2718499228 -2 36.2718499228 0.5 0.7871387612 0.0102721085 2.61201504 2.22256522 0 7.52462707 12.4079373 13.29311409 28.46179487 2.63946988 29.319349 24.05904366 31.85882829 36.63315467 35.40897935 34.56450076 30.3570238 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 22888-70-6 31553 170466469 A Silybin Oc4cc(O)cc5O[C@H](c1ccc2O[C@H](CO)[C@H](Oc2c1)c3ccc(O)c(OC)c3)[C@@H](O)C(=O)c45 Tox21_111070_1 -NCGC00258985-01 196705794 tox21-ror-cho-viability-p1 set1 4 2.08051816 1.71020726 -0.32609393 5.12229257 1.52742709 0.76128321 0.63224327 1.09404109 1.24107545 0 0.481113 3.71506077 -0.90197287 0.20473929 1.99695585 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009203 20917-49-1 30360 144208632 A A Nitrosoheptamethyleneimine O=NN1CCCCCCC1 Tox21_201434 -NCGC00259343-01 196705797 tox21-ror-cho-viability-p1 set1 4 12.3834451937 -12.025298496 3 -9.025298496 1.826479391 0.7097696309 0.03408342 -1.03647508 8.47407422 5.60504133 5.1244085 -0.9172694 2.81523408 0.93449849 0.20674552 5.71280137 2.91164091 2.00989215 -0.66165971 -5.4704325 -10.02108208 -6.49195533 1.195E-9 2.6729999999E-9 5.976E-9 1.336E-8 2.988E-8 6.682E-8 1.494E-7 3.341E-7 7.4709999999E-7 0.0000016699999999 0.000003735 0.000008352 0.000018679999999 0.000041759999999 0.000093379999999 3290-92-4 18689 144208992 Ac Ac Trimethylolpropane trimethacrylate O=C(OCC(COC(=O)C(=C)C)(CC)COC(=O)C(=C)C)C(=C)C Tox21_201794 -NCGC00259145-01 196705805 tox21-ror-cho-viability-p1 set1 4 -13.08353575 -5.91142603 -13.21173927 -15.43562587 -6.87999926 -8.60968088 -6.50247368 -10.00947065 -8.75356099 -14.11564024 2.80448158 -6.31747274 -9.23288383 -5.19426363 0.08017437 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 99-63-8 7451 144208794 D 1,3-Benzenedicarbonyl dichloride O=C(Cl)c1cccc(c1)C(Cl)=O Tox21_201596 -NCGC00259785-01 196705816 tox21-ror-cho-viability-p1 set1 4 0.1413924289 24.849181564 -16.349181564 8.5 0.2 0.4593618668 0.2156903059 -13.62431797 -3.56498684 -9.42111015 -9.48322806 0.30145233 0.14273453 -3.5926581 -12.52499781 0.61369732 -2.72383266 -2.1454654 4.94631921 4.30021348 6.96708452 -1.8752661 1.469E-9 3.284E-9 7.3429999999E-9 1.642E-8 3.672E-8 8.21E-8 1.836E-7 4.105E-7 9.179E-7 0.0000020529999999 0.0000045899999999 0.00001026 0.00002295 0.00005131 0.0001147 24615-84-7 90558 144209434 D 2-Carboxyethyl acrylate O=C(O)CCOC(=O)C=C Tox21_202236 -NCGC00259109-01 196706215 tox21-ror-cho-viability-p1 set1 4 0.0217782031 8.8732777359 -9.8732777359 -1 4.9549173134 0.4577612358 0.2173548065 -10.62711273 -6.38849376 -7.93598704 -15.31106478 2.25853933 2.2125156 -4.21290257 -1.08130221 -4.10855513 0 -2.37280949 -0.31896551 -2.91379345 -9.55406774 6.68539285 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.96E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 1825-21-4 15767 144208758 A Ac Pentachloroanisole Clc1c(OC)c(Cl)c(Cl)c(Cl)c1Cl Tox21_201560 -NCGC00259665-01 196706218 tox21-ror-cho-viability-p1 set1 4 62.0019276794 11.544100008 -1.044100008 10.5 4.5044702849 0.7254862809 0.0283788828 -1.52483754 -2.40225396 0.02975402 1.44562976 -1.11798232 -3.37008334 -0.26529202 -2.56813486 -1.7381282 0 2.83756813 -0.68004794 -1.69104013 0.74542988 9.08041138 1.194E-9 2.671E-9 5.9709999999E-9 1.335E-8 2.986E-8 6.676E-8 1.493E-7 3.338E-7 7.464E-7 0.000001669 0.000003732 0.000008345 0.00001866 0.000041729999999 0.000093299999999 132-64-9 568 144209314 A A Dibenzofuran c1cccc2oc3ccccc3c12 Tox21_202116 -NCGC00259411-01 196706634 tox21-ror-cho-viability-p1 set1 4 0.1612212 -6.58654835 -2.20878319 -1.71649741 4.63745679 0.03188383 -4.66672805 -0.98497265 -3.15099146 -0.40896444 1.31410262 -0.43580616 0.54531316 -0.70260274 -5.35257066 1.1859999999E-9 2.651E-9 5.929E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008286 0.00001853 0.000041429999999 0.00009264 615-54-3 12002 144209060 A Ac 1,2,4-Tribromobenzene Brc1cc(Br)c(Br)cc1 Tox21_201862 -NCGC00255185-01 196700431 tox21-ror-cho-viability-p1 set1 -2.2 6.1130564862 -40.61360686 4 -36.61360686 0.2 0.7287878599 0.0264883719 -5.52195605 1.4574924 0.01622249 -3.42357212 -11.89776325 -10.61241034 -9.20874447 -10.39031379 -13.04239561 -14.65456813 -12.70043233 -15.74366872 -12.95689255 -16.37429233 -30.51133905 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2152-44-5 16533 144212605 A A Betamethasone valerate OCC(=O)[C@@]4(OC(=O)CCCC)[C@@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_302288 -NCGC00254935-01 196700018 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -21.010769616 0.5 -20.510769616 4.9549173134 0.885436393 0.0006390535 -0.84706716 2.31405219 -0.66088962 1.04254339 2.55825409 1.52493261 -0.93375943 0.54908523 -1.39786709 -1.40858685 1.74195847 1.3539331 0.35465985 2.1258232 -16.25897468 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18263-25-7 82145 144211350 B 2-Bromohexadecanoic acid O=C(O)C(Br)CCCCCCCCCCCCCC Tox21_301033 -NCGC00255897-01 196700415 tox21-ror-cho-viability-p1 set1 -2.4 61.130564862 -31.24098438 1.5 -29.74098438 4.9549173134 0.9611415175 0.000002098 2.91083105 1.76526318 -0.85688388 2.73774368 2.22684091 0.48373918 2.13734815 -1.71338862 0.75698251 1.31849269 0.70054128 3.74993217 2.13635624 -2.02343966 -26.03415365 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17321-77-6 68539 144212136 A A Clomipramine hydrochloride Cl.CN(C)CCCN2c3ccccc3CCc1ccc(Cl)cc12 Tox21_301819 -NCGC00255926-01 196700417 tox21-ror-cho-viability-p1 set1 4 0.93925019 0.47295333 1.27342715 -0.02074491 -0.28037343 -0.80286782 -0.63601944 0.56308654 0.78113152 7.45876667 0.21656583 2.53295694 0.43683407 0.22337862 -0.55941702 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 71-30-7 597 144212456 F A Cytosine NC=1C=CNC(=O)N=1 Tox21_302139 -NCGC00255376-01 196700437 tox21-ror-cho-viability-p1 set1 4 0.44738424 -3.99464702 -3.59437484 0.52308261 2.03490315 0.48762151 0.0713961 -3.2810043 0.42542955 3.05321098 1.18648612 1.45427923 0.86606011 4.87173204 1.12589805 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 41859-67-0 39042 144212162 A A Bezafibrate O=C(NCCc1ccc(OC(C)(C)C(=O)O)cc1)c2ccc(Cl)cc2 Tox21_301845 -NCGC00256390-01 196718605 tox21-ror-cho-viability-p1 set2 4 0.73595934 1.64221158 -0.83194525 -0.21933043 0.71446101 -4.76682442 -2.20645404 -0.77584911 -3.27141041 -4.66509418 -0.35353078 -1.55330709 -2.48160606 0.5463362 -2.87522584 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-05-9 5271566 144213337 A A Diethyl maleate O=C(\C=C/C(=O)OCC)OCC Tox21_303020 -NCGC00256836-01 196718598 tox21-ror-cho-viability-p1 set2 4 2.36117283 0.4897124 2.45351723 5.7330172 2.60924274 2.52016316 1.26389316 8.46433937 1.42696804 7.28899879 10.9067403 3.41164412 1.97852608 7.93233933 2.52196545 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-79-2 6553885 144212846 A A Isopulegol CC(=C)[C@@H]1CC[C@@H](C)C[C@@H]1O Tox21_302529 -NCGC00091483-03 196718599 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -50.6597542132 -0.386299362 -51.0460535752 4.9549173134 0.825478438 0.0044320425 1.88740362 1.34422996 1.31747969 -5.49887103 1.51113659 -5.37163323 1.80293126 -1.01115192 -11.04436598 0.83508372 -7.77470587 6.7629511 1.57358767 1.57168387 -42.10004252 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00164077-02 196718604 tox21-ror-cho-viability-p1 set2 4 1.83078468 0.95384429 3.44230325 1.54402929 1.00229744 1.55275917 1.78613187 -0.18137329 -0.22980171 2.12130756 4.15186853 -4.33175638 0.56208224 -1.80869118 -5.39178045 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00257456-01 196718607 tox21-ror-cho-viability-p1 set2 4 32.6119548959 -10.2813592399 -0.5 -10.7813592399 2.2526478767 0.4634173035 0.2131665169 -1.00613843 2.2180741 0.29155443 1.31385488 -0.04228038 -2.41171114 -9.4011327 1.85027251 -0.99264122 1.57738909 2.32042378 -1.39945527 0.55607143 -7.66617539 -9.28458545 1.026E-9 2.295E-9 5.132E-9 1.148E-8 2.5659999999E-8 5.7379999999E-8 1.283E-7 2.8689999999E-7 6.4149999999E-7 0.000001434 0.0000032069999999 0.0000071719999999 0.00001604 0.00003586 0.000080189999999 521-18-6 10635 144213957 A F 5alpha-Dihydrotestosterone O=C3C[C@@H]4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)CC[C@@H]12)[C@@]4(C)CC3 Tox21_303655 -NCGC00256924-01 196719010 tox21-ror-cho-viability-p1 set2 4 0.90629438 0.79336746 -1.34366828 -2.06479136 -0.02627673 -0.16746815 -0.67693673 -2.25716133 0.96987909 1.17987091 -1.03921337 -2.19531604 -0.67841986 -0.76779457 -0.79807712 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-59-3 7663 144213019 A F 3-Phenylprop-2-en-1-yl 2-methylpropanoate CC(C)C(=O)OCC=Cc1ccccc1 Tox21_302702 -NCGC00164127-03 196714872 tox21-ror-cho-viability-p1 set2 -2.1 54.4826732819 -94.005226999 -5.101760783 -99.106987782 1.6266150999 0.9667869972 8.633E-7 0.93655648 -4.68571634 -4.56518526 -3.6271042 -7.39713644 -5.17081919 -10.79127186 -9.73834921 -4.6981869 -5.16787969 -5.41684564 -13.04008648 -18.29767527 -35.32889159 -75.08105135 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00254498-01 196714469 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -12.324141936 1 -11.324141936 4.9549173134 0.7806937141 0.0120784783 -0.1858082 1.54564643 2.96455834 -0.92118724 1.32363152 3.17813303 1.53556998 -0.62927128 0.41179173 1.11727762 0.81990727 2.81847378 1.59444979 0.3726065 -7.77011828 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 206-44-0 9154 144210798 A A Fluoranthene c1cccc4c1c2cccc3cccc4c23 Tox21_300480 -NCGC00254066-01 196714473 tox21-ror-cho-viability-p1 set2 4 -2.32095346 4.34929706 0.47409019 -2.45581469 -0.49313362 1.66583386 1.30068513 -0.94485724 1.2367993 0.76167517 -1.07260745 -0.90567078 1.3867551 -1.99072552 -3.64388507 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2451-62-9 17142 144210439 A B Triglycidyl isocyanurate O=C4N(CC1CO1)C(=O)N(CC2CO2)C(=O)N4CC3CO3 Tox21_300119 -NCGC00254404-01 196714477 tox21-ror-cho-viability-p1 set2 -2.1 13.3331902297 -103.062867446 2.06873387 -100.994133576 0.8999999999 0.9697289655 5.105E-7 2.376822 1.15381299 -0.06693195 1.73533171 0.12075234 4.46354462 0.91760149 2.58334258 -4.47660583 -0.22846251 -18.33811693 -27.74886507 -36.38795618 -50.31581648 -84.16177798 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 137-30-4 8722 144210821 A Ziram [Zn+2].S=C([S-])N(C)C.CN(C)C([S-])=S Tox21_300503 -NCGC00254525-01 196714873 tox21-ror-cho-viability-p1 set2 4 1.9331181962 5.791293032 0.208706968 6 2.0478617061 0.7827391755 0.0115012447 0.14740603 -1.90941086 2.68088036 -0.4910318 -0.09162968 0.04511427 0.40517422 0.51853523 0.52068712 3.67954774 2.85336615 8.55413464 6.12824818 4.09836356 6.70954181 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2385-85-5 16945 144210909 Mirex ClC53C1(Cl)C4(Cl)C2(Cl)C1(Cl)C(Cl)(Cl)C5(Cl)C2(Cl)C3(Cl)C4(Cl)Cl Tox21_300592 -NCGC00254573-01 196714880 tox21-ror-cho-viability-p1 set2 4 0.48586881 -5.68246614 -0.85417683 -1.96055251 -6.16208179 -6.1522654 -4.52826842 -10.52843315 -5.27693612 -10.88945598 -11.42227958 -7.74131312 0.50298076 -0.14240403 -1.05101286 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2876-78-0 17891 144210982 A A Methyl 1-naphthaleneacetate O=C(OC)Cc2cccc1ccccc12 Tox21_300665 -NCGC00260469-01 196711374 tox21-ror-cho-viability-p1 set2 4 0.7794664265 -27.782342368 0.5 -27.282342368 0.5999999999 0.6091048317 0.1040747475 3.69082488 -1.45213282 -1.47201065 0.34366842 3.05446346 -2.78432657 -1.40931335 -3.30245181 -2.9262486 0.56841903 -19.83464946 -2.98922701 -11.03928736 -21.06861864 5.39070687 6.093E-11 1.362E-10 3.0469999999E-10 6.812E-10 1.523E-9 3.406E-9 7.617E-9 1.7029999999E-8 3.808E-8 8.5159999999E-8 1.904E-7 4.258E-7 9.521E-7 0.000002129 0.0000047599999999 523-27-3 68226 144210121 Fc 9,10-Dibromoanthracene Brc2c1ccccc1c(Br)c3ccccc23 Tox21_202923 -NCGC00357266-01 196711370 tox21-ror-cho-viability-p1 set2 4 -1.6111715 -0.48195442 -3.16154945 -6.12994771 -2.44061118 -14.63036564 0.21953727 -13.55102672 -3.11099098 -48.39905543 -10.06099692 -2.62244737 0 -2.54186179 4.20423198 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-28-6 7646 251919818 A Benzyl 2-methylpropanoate CC(C)C(=O)OCc1ccccc1 Tox21_303852 -NCGC00260569-01 196711371 tox21-ror-cho-viability-p1 set2 4 -4.28040896 -2.9335782 -8.43001624 -7.93058544 -7.48378685 -12.64956433 -18.57385826 -18.11029504 0 -12.25540276 -6.31653872 0 0 -18.28446309 -0.64308659 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49465 144210222 M M NTP Mix77 CT1 62-EQP Tox21_203024 -NCGC00090704-03 196711373 tox21-ror-cho-viability-p1 set2 2.4 30.6378586933 26.0330397599 -0.0330397599 26 0.8999999999 0.8871749519 0.0005880965 0.70539487 2.29475619 -0.93152959 -0.61094972 1.2381195 -0.13300139 -5.4441998 1.52084976 0.16621564 1.57110368 3.70879123 8.86512954 7.85814141 11.97510592 21.26372482 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00260524-01 196711778 tox21-ror-cho-viability-p1 set2 2.4 43.3211400593 18.079626088 1.920373912 20 0.8999999999 0.7709772435 0.0139899491 -1.73302174 0.39249265 3.80305579 1.24937972 4.18251068 3.47879822 2.85043103 4.27988843 5.03707246 1.83829225 5.90395483 3.91540692 4.75044732 12.38377259 15.41727065 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.00000369 0.000008252 0.000018449999999 0.000041259999999 0.00009226 104-98-3 736715 144210176 Ac A Urocanic acid OC(=O)/C=C/c1cncn1 Tox21_202978 -NCGC00357199-01 196711779 tox21-ror-cho-viability-p1 set2 4 38.5707788719 17.49328 1.50672 19 1.0999999999 0.9052679758 0.0002496816 -0.54895056 1.64671406 2.69307582 1.743918 2.04759714 0.34333255 -1.2444 0.73485947 2.83820022 3.29244495 3.46051387 4.52564516 6.37306517 9.07360284 15.75637614 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-13-8 6871 251919960 A Diethyl ethoxymethylenemalonate O=C(OCC)C(=C\OCC)\C(=O)OCC Tox21_303975 -NCGC00255722-01 196710153 tox21-ror-cho-viability-p1 set2 4 -6.30931888 3.49789826 -0.03317794 -0.6426056 -0.71773085 2.17911532 -2.09206539 -3.37734882 0.65985127 -0.62965721 -1.79758221 -0.79227672 1.98671023 -0.04762576 0.98918741 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1907-65-9 61285 144212115 A A N-Butyl-p-toluenesulfonamide Cc1ccc(cc1)S(=O)(=O)NCCCC Tox21_301798 -NCGC00258928-01 196709735 tox21-ror-cho-viability-p1 set2 4 -1.43475433 -1.85956873 5.25784218 0.49459559 0.11116808 2.14583624 4.58351445 5.88022048 2.87742233 4.29142152 2.98069199 2.82115692 2.7560579 0.62272046 1.93531605 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.481E-7 3.311E-7 7.4029999999E-7 0.000001655 0.000003701 0.0000082769999999 0.00001851 0.00004138 0.00009253 2702-72-9 23676704 144208575 Ac Ac 2,4-D sodium salt [Na+].Clc1cc(Cl)ccc1OCC([O-])=O Tox21_201377 -NCGC00090986-03 196710145 tox21-ror-cho-viability-p1 set2 4 -2.42591833 -8.81648554 -9.13874893 -2.0248956 -7.50192824 -3.62376976 -2.02715179 -6.74616364 -4.48189887 -8.96034623 -3.24432249 -0.99434255 -1.38432285 -5.84412041 -15.9899161 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00255942-01 196710152 tox21-ror-cho-viability-p1 set2 4 1.74903197 -0.74892084 2.56516546 -0.76457588 -0.12613575 1.31389756 0.7574313 -0.17331965 -0.08547923 0.42067912 0.32546075 -0.94420532 0.75225873 -0.27381658 5.15430019 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 39196-18-4 38235 144212168 A A Thiofanox O=C(O\N=C(\CSC)C(C)(C)C)NC Tox21_301851 -NCGC00091205-03 196710564 tox21-ror-cho-viability-p1 set2 4 1.37436933 -5.54326999 -1.3385286 -5.55537382 -2.49467327 -5.93709276 -2.70207656 -2.44242183 0.2955232 -1.79038585 -1.08467455 -6.8330589 1.4877236 0.44253937 2.04292055 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00255725-01 196710568 tox21-ror-cho-viability-p1 set2 4 0.0015355304 8.382527364 -7.882527364 0.5 4.0949729863 0.416094573 0.2617884869 -5.73543947 -0.2254853 0.86560702 -0.42720435 0.20032124 1.36513376 0.28966607 -1.18750301 0.22915294 -1.51465417 4.81213142 -1.73073854 0.08377453 -0.82320455 4.77706422 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-34-2 78950 144212442 A A Glycerol 1-allylether OCC(O)COCC=C Tox21_302125 -NCGC00255855-01 196710569 tox21-ror-cho-viability-p1 set2 4 -1.61554598 5.303511 1.31756239 1.17520244 0.42316246 2.44614711 1.91591928 -0.18056674 -0.33663281 1.90442423 0.00963602 1.02607644 1.68520288 0.29675176 2.31558821 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1187-03-7 14465 144211815 A A Tetraethylurea CCN(CC)C(=O)N(CC)CC Tox21_301498 -NCGC00095042-06 196725163 tox21-ror-cho-viability-p1 set3 4 0.0456200432 -14.777449764 3.5 -11.277449764 4.9549173134 0.4656564328 0.2261977337 0 0 2.68920404 5.34571479 9.22113438 -17.23165525 -18.56089926 -12.86013506 6.79084985 -16.35338141 -18.56454147 -14.75066303 -5.8875703 -2.4180014 -3.50444625 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00016064-12 196726346 tox21-ror-cho-viability-p1 set3 -1.1 13.3331902297 -97.5014030813 -1.0184567461 -98.5198598274 3.5117481694 0.9788227762 6.6E-8 5.25757674 0.27975512 -0.70249449 2.57805481 -3.32632997 0.78156952 0.27711819 -9.93990107 -10.30616912 1.0465517 -1.72004954 -1.94494273 -17.77748501 -88.48531007 -96.58809787 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50679-08-8 5405 170465598 A Terfenadine CC(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4 Tox21_110295_1 -NCGC00257453-01 196726769 tox21-ror-cho-viability-p1 set3 4 0.17178652 0.43273441 2.59991492 2.79028692 -9.29204593 3.17727522 -0.26612303 0.1351376 1.65624514 0.07160491 2.45049958 -1.52947459 1.24781665 2.49999351 -0.47238428 1.9469999999E-10 4.353E-10 9.733E-10 2.176E-9 4.8659999999E-9 1.088E-8 2.433E-8 5.4409999999E-8 1.2169999999E-7 2.72E-7 6.083E-7 0.00000136 0.0000030409999999 0.000006801 0.00001521 25340-17-4 8657 144213777 F Fns Diethylbenzene CCc1ccccc1CC Tox21_303467 -NCGC00066947-05 196725581 tox21-ror-cho-viability-p1 set3 4 -0.01827812 0.55448943 -1.62444865 -1.53885738 -0.55876937 -2.027433 -0.45525938 -1.08938379 -4.99126192 5.8041342 -6.15171316 -0.49311967 -0.54652313 0.29472993 -4.64542576 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00015701-06 196725170 tox21-ror-cho-viability-p1 set3 4 0.2371013766 6.5611733479 -2.0611733479 4.5 3.9899729863 0.7573274941 0.0177397971 -0.39787249 1.91497036 -5.05097779 -2.73807339 -1.47555926 -2.92605628 -2.4684775 -0.70209227 -2.69033936 -2.65982127 -0.32180028 3.75183866 5.78661521 2.78917058 5.52067554 5.899E-11 1.319E-10 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 672-87-7 441350 170465112 I Metyrosine Oc1ccc(C[C@](C)(N)C(=O)O)cc1 Tox21_111253_1 -NCGC00016934-06 196725171 tox21-ror-cho-viability-p1 set3 4 0.0016785492 27.339386432 -12.339386432 15 1.5385888099 0.4294250111 0.243205866 -8.61615536 0.66211467 5.11094714 9.58843511 21.34273991 18.74330925 18.74838409 0 0 18.89074966 22.91266162 28.32517921 22.43624426 7.31818041 10.59587438 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 76963-41-2 4513 170464780 I Nizatidine CN(C)Cc1nc(CSCCNC(=C[N+]([O-])=O)NC)cs1 Tox21_110691_1 -NCGC00094521-05 196725583 tox21-ror-cho-viability-p1 set3 4 34.3762428541 -19.155757004 11 -8.155757004 3.1319983358 0.3927067686 0.2784422654 0.43793841 5.31153515 -0.26477702 8.80700324 10.38445323 11.09261648 15.57443183 24.31165682 10.57481863 21.7072784 18.52941583 7.38667524 9.6135768 -1.98415144 -6.79646417 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00160646-02 196725589 tox21-ror-cho-viability-p1 set3 4 0.011577365 8.5 3 11.5 1.0999999999 0.3667074661 0.3041869852 5.1824032 5.59765896 0.90781928 2.92909028 5.79774454 9.02584795 8.64344925 14.21078681 14.09017541 12.21456441 15.65401076 6.93277301 4.82386193 4.05850013 21.73131149 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 24886-52-0 159977 170466412 A Pipofezine CN1CCN(CC1)c2cc3N(C)c4ccccc4Oc3nn2 Tox21_111953_1 -NCGC00166075-02 196725597 tox21-ror-cho-viability-p1 set3 4 0.0237101377 5.5205311399 -3.5205311399 2 4.9549173134 0.3810034002 0.307880273 -7.02923261 -5.48724801 3.02227271 -0.22497902 -7.93377595 3.51776643 2.62796927 5.26732645 -3.70401731 1.58869026 3.68693327 2.51558158 0.91060693 1.51441586 -7.89389015 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 586-98-1 11474 170466344 Z Piconol OCc1ccccn1 Tox21_112305_1 -NCGC00090962-05 196725601 tox21-ror-cho-viability-p1 set3 4 -9.72858479 0 -9.35068831 -8.66477607 -5.20807813 -7.95365813 -3.44723374 -7.32369526 0.69661696 3.73225365 -9.23330393 -5.41483898 -2.9145778 1.77430615 -4.55806528 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00183836-01 196726009 tox21-ror-cho-viability-p1 set3 4 -0.05423019 -7.48957925 7.54430812 3.34060596 0.12510538 0.45599533 -2.45064847 -4.29538731 -6.01686094 -8.86906641 -3.47853566 -0.91790006 -1.32461033 -0.3516658 0.85327508 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80879-63-6 72004 144206827 A A Emiglitate O=C(OCC)c2ccc(OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)cc2 Tox21_113276 -NCGC00258098-01 196702100 tox21-ror-cho-viability-p1 set1 4 6.7740722 -0.06382169 0.30082813 7.01209635 -2.4045112 1.9665983 5.32736178 -0.03502488 10.42013239 8.83200154 7.44001826 1.80447315 11.89061639 6.39652631 0.90629597 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.65E-8 1.487E-7 3.325E-7 7.4339999999E-7 0.000001662 0.0000037169999999 0.000008312 0.00001859 0.00004156 0.00009293 1470-57-1 73851 144207742 A A 2-Hydroxy-5-methylbenzophenone O=C(c1cc(C)ccc1O)c2ccccc2 Tox21_200544 -NCGC00091663-03 196708295 tox21-ror-cho-viability-p1 set1 4 -9.52073265 1.41076808 -13.04009804 -10.97848178 -9.53723626 -10.5641964 -0.37680878 -7.65389905 -11.20153083 -0.08195079 -16.62025758 -5.57719429 -9.11238608 0.77176135 -0.95122368 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00256848-01 196708296 tox21-ror-cho-viability-p1 set1 4 4.57136718 0.05848475 1.75090969 -0.66114815 -0.26774142 1.54850297 -0.58833813 0.85384222 4.17082686 0.71894212 -0.02596521 -0.22946334 0.60629774 5.43883072 0.10113422 1.172E-9 2.6199999999E-9 5.858E-9 1.31E-8 2.929E-8 6.55E-8 1.465E-7 3.275E-7 7.323E-7 0.000001637 0.0000036609999999 0.000008187 0.00001831 0.000040929999999 0.00009153 6149-03-7 23670838 144213933 A Sodium 4-octylbenzenesulfonate [Na+].O=S([O-])(=O)c1ccc(CCCCCCCC)cc1 Tox21_303628 -NCGC00257894-01 196702084 tox21-ror-cho-viability-p1 set1 4 -9.55853648 -10.08500275 -7.31769469 -8.4300662 -13.26061051 -12.9296868 -16.33875329 -8.88277362 -10.57101372 -14.38281805 -13.79610514 -12.98238318 -17.19417486 -12.83230789 -7.56218367 1.203E-9 2.6889999999E-9 6.014E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003759 0.000008404 0.000018789999999 0.00004202 0.000093959999999 610-14-0 11875 144207538 A B 2-Nitrobenzoyl chloride O=[N+]([O-])c1ccccc1C(Cl)=O Tox21_200340 -NCGC00258240-01 196702086 tox21-ror-cho-viability-p1 set1 4 -7.28707021 -13.04084125 -6.11412046 -6.58533957 -11.49522317 -3.14783045 -10.58655767 -8.60453468 -3.19679625 -3.83382828 -6.02585668 -6.20072336 -6.52288867 -7.9606516 -5.35933963 1.1699999999E-9 2.617E-9 5.851E-9 1.3079999999E-8 2.926E-8 6.542E-8 1.463E-7 3.271E-7 7.314E-7 0.000001635 0.000003657 0.000008177 0.00001828 0.000040889999999 0.00009142 118-08-1 197835 144207884 A A Hydrastine CN2CCc1cc5OCOc5cc1[C@@H]2[C@H]4OC(=O)c3c(OC)c(ccc34)OC Tox21_200686 -NCGC00258700-01 196702095 tox21-ror-cho-viability-p1 set1 4 1.63907374 0.05903688 0.13467168 0.72946725 1.13784756 0.45104514 4.41787691 -0.74612037 0.5115198 -9.82194821 5.61456555 0.77212698 1.7538906 2.9445839 1.56462796 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.0000036659999999 0.000008198 0.00001833 0.00004099 0.000091659999999 7177-48-2 23565 144208346 FC Ampicillin trihydrate O.O.O.OC(=O)[C@@H]2N3C(=O)[C@@H](NC(=O)[C@H](N)c1ccccc1)[C@H]3SC2(C)C Tox21_201148 -NCGC00258247-01 196702501 tox21-ror-cho-viability-p1 set1 4 -4.40154778 -10.33005883 -5.90747735 -8.58896208 -19.30702454 2.31574069 -11.02370474 -9.19086686 -9.68028389 -12.46370774 -17.77129492 -15.07364807 -13.39243677 -6.54861304 -6.21772884 1.131E-9 2.528E-9 5.6529999999E-9 1.264E-8 2.8269999999E-8 6.321E-8 1.413E-7 3.1599999999E-7 7.0669999999E-7 0.00000158 0.000003533 0.000007901 0.00001767 0.0000395 0.000088329999999 76180-96-6 53462 144207891 A A 2-Amino-3-methyl-3H-imidazo[4,5-f]quinoline Nc3nc2c(ccc1ncccc12)n3C Tox21_200693 -NCGC00258315-01 196702506 tox21-ror-cho-viability-p1 set1 4 3.28717005 -0.4233809 -2.11668569 5.77844672 1.96293004 0.97496041 -0.7352299 -1.15176878 9.01767728 -1.39964833 0.02442797 3.86252371 3.50654103 0.63197746 3.67161442 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004128 0.00009231 93-72-1 7158 144207959 A Ac 2-(2,4,5-Trichlorophenoxy)propionic acid Clc1cc(OC(C)C(=O)O)c(Cl)cc1Cl Tox21_200761 -NCGC00260538-01 196702930 tox21-ror-cho-viability-p1 set1 2.4 48.1136466187 51.0644764839 -5.691751964 45.3727245199 3.9899729863 0.57752222 0.1132364955 1.81825601 0.5289474 -2.75500372 0.67779507 -0.56776188 -10.37598132 0.52377162 -0.71871727 -3.42793232 1.42119871 -8.94261874 -15.81635089 -39.23100336 16.71368973 40.51444568 1.171E-9 2.618E-9 5.8529999999E-9 1.3089999999E-8 2.927E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.317E-7 0.0000016359999999 0.000003658 0.0000081809999999 0.00001829 0.0000409 0.00009146 17831-71-9 28803 144210191 A Ac Tetraethylene glycol diacrylate O=C(OCCOCCOCCOCCOC(=O)C=C)C=C Tox21_202993 -NCGC00357119-01 196703324 tox21-ror-cho-viability-p1 set1 4 -0.43165429 -0.16967545 -0.18766692 -3.90061829 1.0589919 -9.5743427 -7.99204214 -0.89756844 -3.65425477 -5.84738804 1.03236844 -7.26907481 0.17191648 -0.6123788 2.2853355 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-56-8 11439 251919859 Succinimide O=C1CCC(=O)N1 Tox21_303851 -NCGC00260611-01 196703331 tox21-ror-cho-viability-p1 set1 4 -1.31644773 -0.38173251 -2.56372625 -0.61186634 1.58365524 0.23448635 -0.27512166 1.58228047 -0.08289237 1.08356364 2.57013121 -0.93678503 2.2860104 5.21865513 4.77693897 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49507 144210264 M M NTP Mix14 AR1 8-EQC Tox21_203066 -NCGC00260445-01 196703341 tox21-ror-cho-viability-p1 set1 4 54.5935042736 7.2631144919 -1.2631144919 6 3.2974983358 0.3736507746 0.3019495314 -2.94959724 -4.09964877 1.14477476 0.54412515 0.68294952 -0.12057319 -6.05259541 -0.35498582 -2.71609952 0.35632031 -4.16411726 -0.40332828 0.71171521 0.47350192 4.88801348 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.61E-8 1.4779999999E-7 3.305E-7 7.3899999999E-7 0.0000016529999999 0.0000036949999999 0.000008263 0.00001848 0.00004131 0.000092379999999 636-26-0 720471 144210097 A A 5-Methyl-2-thiouracil CC1=CNC(=S)NC1=O Tox21_202899 -NCGC00357195-01 196703342 tox21-ror-cho-viability-p1 set1 4 0.21613118 -2.35748895 -0.70273295 3.34385676 0.43106984 0.04234685 -2.22432841 0.49791954 -3.26833783 1.38859052 0.72351682 -8.15649229 3.02520853 0.73792174 3.69556494 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2402-78-0 16989 251919888 A 2,6-Dichloropyridine Clc1cccc(Cl)n1 Tox21_303965 -NCGC00257569-01 196716545 tox21-ror-cho-viability-p1 set2 4 -1.66446816 0.01912165 -9.28538689 -6.24097471 -2.04411545 1.32934277 -7.23290976 -0.0576428 1.32454873 -1.84659566 0.79271843 -0.98647626 -2.42299089 -2.26727366 -0.22963466 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004136 0.00009247 3012-37-1 18170 144207213 F Benzyl thiocyanate N#CSCc1ccccc1 Tox21_200015 -NCGC00258570-01 196716132 tox21-ror-cho-viability-p1 set2 -2.4 64.9786852238 -36.2361721439 -1 -37.2361721439 3.2974983358 0.79612638 0.0086277571 2.79015954 0.14686059 -11.99241263 -0.39848943 0.35068116 0.60953814 0.77134 -4.49859329 -0.95096446 0.51753375 1.3114054 0.44165338 -3.447753 -6.069761 -27.69681012 1.128E-9 2.5219999999E-9 5.639E-9 1.2609999999E-8 2.819E-8 6.304E-8 1.4099999999E-7 3.1519999999E-7 7.0479999999E-7 0.000001576 0.000003524 0.0000078799999999 0.00001762 0.000039399999999 0.00008811 843-55-0 232446 144208215 A A Bisphenol Z Oc1ccc(cc1)C2(CCCCC2)c3ccc(O)cc3 Tox21_201017 -NCGC00258208-01 196716133 tox21-ror-cho-viability-p1 set2 4 -1.1398671 -4.15699088 -2.20016391 -0.03193811 -1.43813489 -3.22148265 -2.06444363 -0.3841193 0.31213345 1.68104881 -2.22279732 4.66440519 -2.64796925 1.55428009 -1.29108048 1.164E-9 2.602E-9 5.818E-9 1.301E-8 2.909E-8 6.5049999999E-8 1.4549999999E-7 3.253E-7 7.2729999999E-7 0.0000016259999999 0.000003636 0.000008131 0.00001818 0.000040659999999 0.00009091 40596-69-8 5366546 144207852 Ac Fc Methoprene CC(C)OC(=O)\C=C(/C)\C=C\CC(C)CCCC(C)(C)OC Tox21_200654 -NCGC00257772-01 196716534 tox21-ror-cho-viability-p1 set2 -2.4 66.7800854761 -30.731061604 0 -30.731061604 2.9522712143 0.9156128575 0.0001372008 -0.56953656 -0.44049582 -1.34350875 -0.14881221 5.55264183 -1.66570231 -0.26258974 -1.85616928 1.03728725 0.61370809 0.36540779 -0.47163333 -2.13343582 -5.74318819 -22.27588467 1.154E-9 2.5799999999E-9 5.7679999999E-9 1.29E-8 2.884E-8 6.449E-8 1.4419999999E-7 3.225E-7 7.21E-7 0.000001612 0.000003605 0.000008061 0.00001803 0.00004031 0.000090129999999 3018-12-0 18177 144207416 B Dichloroacetonitrile ClC(Cl)C#N Tox21_200218 -NCGC00015482-07 196716949 tox21-ror-cho-viability-p1 set2 4 -0.68848713 -0.25295516 0.30397537 1.70720441 5.37468091 5.03383173 7.67468256 3.89831284 -0.98151709 -0.14050036 2.02857331 3.21038402 1.52658913 -0.5040139 2.81516995 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 65-29-2 6172 170465398 F Gallamine triethiodide [I-].[I-].[I-].CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC Tox21_112040_1 -NCGC00253577-01 196716953 tox21-ror-cho-viability-p1 set2 4 0.26603212 -5.4471416759 4 -1.4471416759 4.9549173134 0.6301810657 0.077580504 3.97951738 -0.04775733 4.15339907 0.1810917 4.09559091 6.61470185 7.28251755 4.48917967 -0.95964529 -1.80142099 -3.28928473 -1.63920527 -0.4550959 -0.19372899 -0.44987413 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80734-02-7 6917773 170465777 A F Lenampicillin hydrochloride Cl.N[C@H](c1ccccc1)C(=O)N[C@@H]4C(=O)N3[C@@H](C(=O)OCC=2OC(=O)OC=2C)C(C)(C)S[C@@H]34 Tox21_113720 -NCGC00181296-02 196716957 tox21-ror-cho-viability-p1 set2 4 -0.09597502 -0.55960301 -5.39047973 -5.72084073 -6.25049237 -1.02916883 -1.79186792 -1.23239115 -5.05202931 1.75276119 2.14661497 0.21983479 0.62505083 -0.57130978 -0.70597561 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112665-43-7 2449 170465940 A Seratrodast O=C2C(C)=C(C)C(=O)C(C)=C2C(CCCCCC(=O)O)c1ccccc1 Tox21_112774_1 -NCGC00181103-02 196716971 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -10.133549312 0.5 -9.633549312 4.9549173134 0.6740281946 0.0521875374 0.19007623 0.46105132 -0.89765966 -0.95606316 2.70116059 -0.28939067 -2.54177915 -0.02014889 1.83850584 2.6100625 1.18946849 2.71973841 0.4562689 1.20771746 -8.02795776 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54556-98-8 441412 170466036 A Propiverine hydrochloride Cl.CN3CCC(OC(=O)C(OCCC)(c1ccccc1)c2ccccc2)CC3 Tox21_112719_1 -NCGC00013109-03 196717369 tox21-ror-cho-viability-p1 set2 4 -6.66174999 -5.31100516 -5.16964442 -8.11337948 -0.71383768 -6.21503463 1.84315375 -4.96565714 -6.97014543 -2.14517307 -6.63573334 -0.24031198 1.11645877 -1.91694939 -4.85839228 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 143-74-8 4766 170465805 B Phenol red Oc1ccc(cc1)C3(OS(=O)(=O)c2ccccc23)c4ccc(O)cc4 Tox21_110012_1 -NCGC00160395-04 196717370 tox21-ror-cho-viability-p1 set2 4 0.27174654 -3.90116565 0.0624734 0.84422007 0.46479336 -4.95111599 1.64248121 -5.52493749 -1.06600812 3.155708 2.50997899 -5.36230638 -5.15515733 -4.04951645 2.54435231 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 315-80-0 443945 170466001 A Dibenzepin hydrochloride Cl.CN(C)CCN3c1ccccc1N(C)c2ccccc2C3=O Tox21_111784_1 -NCGC00016936-04 196717379 tox21-ror-cho-viability-p1 set2 1.1 2.9849294812 74.3713700659 2.146916922 76.5182869879 4.9549173134 0.9947713344 0 -0.80570412 -1.19483616 0 0.20907701 3.18791617 2.75696189 3.34967856 5.82912527 5.09643796 2.91673526 5.40181967 66.46757453 73.52525687 76.30868136 77.9979607 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 78110-38-0 54117 170465110 A Aztreonam Nc1nc(cs1)/C(=N\OC(C)(C)C(=O)O)C(=O)N[C@@H]2C(=O)N([C@H]2C)S(=O)(=O)O Tox21_110692_1 -NCGC00254545-01 196714064 tox21-ror-cho-viability-p1 set2 4 1.29416928 -1.23122309 -1.64995869 -3.08178078 -2.54646443 -0.58830069 -2.08583515 -3.38264127 -3.13967437 -2.50086648 -1.34063639 -0.02095685 1.83426512 0.73740132 1.71763515 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-27-4 7795 144210702 FC Isopentyl butyrate CC(C)CCOC(=O)CCC Tox21_300384 -NCGC00166258-02 196713656 tox21-ror-cho-viability-p1 set2 4 -3.09388474 -2.67949822 -1.65406698 -0.8325998 -1.63682828 -4.48983906 -0.84940656 -0.36018503 -2.01609801 1.73309787 -0.40992235 0.52752561 -2.46883178 -1.04397169 -3.57153289 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21245-01-2 88836 170466104 A Padimate CN(C)c1ccc(cc1)C(=O)OCCC(C)C Tox21_112377_1 -NCGC00260323-01 196712240 tox21-ror-cho-viability-p1 set2 4 -5.78197493 -8.99001799 -8.60709461 -12.17592882 -10.5391188 -12.70243043 0 -26.6952831 0 -32.51606128 -11.6979889 -7.10322206 0 -12.09425213 -3.30892571 6.453E-11 1.443E-10 3.227E-10 7.215E-10 1.613E-9 3.6069999999E-9 8.066E-9 1.8039999999E-8 4.033E-8 9.0179999999E-8 2.0169999999E-7 4.509E-7 0.000001008 0.0000022549999999 0.000005041 1633-05-2 15407 144209974 Carbonic acid, strontium salt (1:1) [Sr+2].[O-]C([O-])=O Tox21_202776 -NCGC00357068-01 196712218 tox21-ror-cho-viability-p1 set2 4 -14.38947058 -15.56813068 -11.94769141 -6.25863862 -10.95582811 -46.18429269 0 -32.64481377 -3.11360867 -39.65692308 -50.73441923 -2.36969657 0 -33.6902895 -0.58300522 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-08-0 7976 251919820 Ac 2-Methylpyrazine Cc1cnccn1 Tox21_303776 -NCGC00160537-04 196712221 tox21-ror-cho-viability-p1 set2 4 -3.86413665 -4.74626062 -13.30411964 -2.05142084 -6.00092355 -38.67736846 -0.65895848 -8.93136695 -14.91253369 0 0 0 -17.65564769 -1.04616228 0.51807208 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00260248-01 196712223 tox21-ror-cho-viability-p1 set2 2.4 62.3759962783 29.169533368 0.830466632 30 3.1319983358 0.9451917259 0.0000139875 0.33642762 -0.05883807 -0.78791792 2.45383224 0.95746938 0.37303253 2.2530641 4.2345636 1.3773563 2.05372913 -0.97461114 -0.82574121 0.66752989 7.81112606 23.53694156 1.1999999999E-9 2.683E-9 6E-9 1.3419999999E-8 3E-8 6.7089999999E-8 1.5E-7 3.3539999999E-7 7.5E-7 0.000001677 0.0000037499999999 0.0000083859999999 0.00001875 0.00004193 0.00009376 474368-70-2 2734181 144209898 FNS 1-Hexylpyridinium tetrafluoroborate F[B-](F)(F)F.CCCCCC[n+]1ccccc1 Tox21_202700 -NCGC00018241-07 196712645 tox21-ror-cho-viability-p1 set2 4 -6.8995784 -8.24025918 -3.36853513 -7.47065469 -7.85019857 -6.81170811 -6.98460024 -4.54581355 -4.44499253 -1.16455139 -1.82289075 -1.20476164 -0.71272552 -0.9646709 0.11883069 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3440-28-6 71651 170466040 A Betamipron O=C(NCCC(=O)O)c1ccccc1 Tox21_110845_1 -NCGC00179364-03 196712649 tox21-ror-cho-viability-p1 set2 4 0.0016785492 -16 17 1 0.6 0.6926625091 0.0418754041 12.57467412 10.86976715 1.48457131 11.18113056 2.60081659 2.35262646 3.45054338 1.8385477 2.0219529 1.10947102 0.69709694 0.61050993 1.77339015 0.87213196 0.9513005 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87771-40-2 3741 170464725 I Ioversol OCC(O)CNC(=O)c1c(I)c(N(CCO)C(=O)CO)c(I)c(c1I)C(=O)NCC(O)CO Tox21_110709_1 -NCGC00255428-01 196710585 tox21-ror-cho-viability-p1 set2 4 -4.70614878 -9.03420311 -4.72995521 -0.84951513 -6.37122517 2.45415996 -3.89626316 -2.80569147 -3.80798189 -6.83847479 -4.90034882 -2.97859046 -1.46876376 -5.37640714 -2.21944441 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 71283-80-2 91707 144211886 A B Fenoxaprop-P-ethyl O=C(OCC)[C@@H](C)Oc1ccc(cc1)Oc2nc3ccc(Cl)cc3o2 Tox21_301569 -NCGC00255875-01 196710172 tox21-ror-cho-viability-p1 set2 4 -0.39828733 5.42005641 1.89104189 2.4394733 2.64256122 4.46146341 1.04271129 0.20290989 0.58146843 2.24082262 0.09760519 0.9375018 2.62404284 0.71576059 -0.62844055 1.0499999999E-9 2.3479999999E-9 5.25E-9 1.174E-8 2.6249999999E-8 5.869E-8 1.312E-7 2.935E-7 6.562E-7 0.000001467 0.000003281 0.0000073369999999 0.00001641 0.00003668 0.00008203 83121-18-0 91734 144211765 A B Teflubenzuron Clc2cc(NC(=O)NC(=O)c1c(F)cccc1F)c(F)c(Cl)c2F Tox21_301448 -NCGC00163927-04 196710184 tox21-ror-cho-viability-p1 set2 4 5.85293758 1.47184267 3.72413055 2.40339666 1.66791149 1.04631826 0.59445669 1.13124174 0.81102031 2.17617057 -1.09764472 -0.39843731 -0.95925993 -0.34759518 1.1280851 1.203E-9 2.6889999999E-9 6.014E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003759 0.000008404 0.000018789999999 0.00004202 0.000093959999999 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00256295-01 196710584 tox21-ror-cho-viability-p1 set2 4 61.130564862 11.7935631599 -0.7935631599 11 3.6772481694 0.8385887153 0.0032627592 -2.00572782 -0.4957003 -2.07138311 -0.32657925 -1.78188964 -0.26261807 0.89809744 -1.77789912 -1.82633351 -2.3279693 -0.88583112 -0.65688349 1.64318138 1.11670266 8.76621557 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13491-79-7 26068 144211597 A I 2-tert-Butylcyclohexanol CC(C)(C)C1CCCCC1O Tox21_301280 -NCGC00163930-04 196710586 tox21-ror-cho-viability-p1 set2 4 -4.68628546 -1.37242901 -1.91668824 -1.17977898 -3.15570329 -0.37074396 0.01897474 -1.56392 2.65245066 2.34230757 0.57663011 1.83846585 2.88505919 2.25329434 4.14442761 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00256219-01 196710594 tox21-ror-cho-viability-p1 set2 4 6.08371077 3.81044784 2.79864571 -0.15030607 -0.22807326 1.85127234 0.61058472 -1.12299056 -0.27754104 2.03059176 -0.7523837 1.20225111 2.13471206 2.77054078 5.43671196 9.969E-10 2.229E-9 4.9839999999E-9 1.1149999999E-8 2.492E-8 5.573E-8 1.246E-7 2.786E-7 6.23E-7 0.000001393 0.000003115 0.000006966 0.00001558 0.00003483 0.000077879999999 306-91-2 78972 144212608 F Tetracosafluorotetradecahydrophenanthrene FC2(F)C3(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C3(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C2(F)F Tox21_302291 -NCGC00255485-01 196710602 tox21-ror-cho-viability-p1 set2 -2.2 54.4826732819 -63.9752721328 -4.8609012899 -68.8361734227 3.0654483358 0.9572978131 0.0000035261 -6.02232153 -9.57266987 -5.76481807 -5.0007657 -5.1558458 -7.72319645 -6.62393612 -10.45240009 -1.58559614 -0.94543551 -2.79006111 -1.1081555 -3.47037118 -24.51303246 -58.20922229 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5836-10-2 22094 144212231 A A Chloropropylate OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(=O)OC(C)C Tox21_301914 -NCGC00256034-01 196728577 tox21-ror-cho-viability-p1 set3 4 -1.25979595 2.40727319 -1.06155671 0.4689245 -1.15846115 2.93784417 1.12717599 2.98631772 -0.42953288 2.8358269 4.18242001 -1.1297184 -3.04296224 1.62888951 1.2255768 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18835-02-4 87820 144211542 A B Ethyl 3-acetyl-4-oxopentanoate O=C(C)C(CC(=O)OCC)C(C)=O Tox21_301225 -NCGC00256102-01 196728088 tox21-ror-cho-viability-p1 set3 4 -5.38425446 0.38187163 -2.39421889 -3.17699413 -1.43855681 -0.24155896 3.94590809 -1.47758976 1.99563109 1.20156667 3.60904804 -0.67667023 -0.00696557 1.40848901 -4.80139088 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-96-8 66793 144211913 A A 4-Methoxy-2-nitroaniline COc1ccc(N)c(c1)[N+]([O-])=O Tox21_301596 -NCGC00255747-01 196728996 tox21-ror-cho-viability-p1 set3 4 1.81789282 0.79776676 -0.21818624 -3.52454366 1.02495229 3.91072478 4.45554868 -1.44917335 2.44452825 3.764727 5.98043895 1.27091557 -3.70123774 -1.80024533 1.13133043 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 2687-91-4 17595 144212457 A Fc 1-Ethyl-2-pyrrolidinone O=C1CCCN1CC Tox21_302140 -NCGC00256057-01 196728182 tox21-ror-cho-viability-p1 set3 -3 76.9588215421 -114.0162627248 5.6032461724 -108.4130165524 4.9549173134 0.8092998278 0.0064856715 -2.41025396 0.22477226 0.48909288 0.43878934 0.85671834 1.45664483 2.49958613 3.66486863 4.30765001 3.29000765 3.67755673 1.63857541 39.36059205 17.42790524 -85.15598956 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18924-66-8 12942137 144211551 A A 2,2'-(Tetradecylimino)diethanol OCCN(CCCCCCCCCCCCCC)CCO Tox21_301234 -NCGC00255631-01 196728584 tox21-ror-cho-viability-p1 set3 4 0.2433651621 6.939485768 -2.439485768 4.5 4.9549173134 0.4185752387 0.2547424076 -4.50966634 3.39273305 -3.70889787 -3.40795744 -6.61623814 4.03067593 -4.59129494 5.49043428 1.71787549 5.4023527 6.76954919 8.59869205 -3.49861665 5.02436744 4.47337677 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7681-82-5 5238 144211696 Sodium iodide I[Na] Tox21_301379 -NCGC00255567-01 196729008 tox21-ror-cho-viability-p1 set3 4 -0.31237856 3.56144898 -2.04496527 1.67082322 0.10980577 -1.42992816 3.64919913 3.52367316 4.75668943 0.17360007 -3.02897304 0.04317303 -0.27461905 1.39388148 0.46574811 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6259-76-3 14205677 144211698 A F Hexyl salicylate O=C(O)c1ccccc1OCCCCCC Tox21_301381 -NCGC00255765-01 196729011 tox21-ror-cho-viability-p1 set3 -1.2 8.6349217992 -44.5139195255 -1.286579588 -45.8004991135 1.8579476909 0.9325871084 0.000042083 0 -1.09111917 -0.33615484 -6.14013069 -6.26265482 -1.14098695 -5.97991114 7.55277597 -4.98197365 2.50355765 -5.60733051 -27.76664222 -32.7149895 -40.50767513 -50.31301991 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135-65-9 67277 144211781 A A 3-Hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide [O-][N+](=O)c1cccc(c1)NC(=O)c2cc3ccccc3cc2O Tox21_301464 -NCGC00258760-01 196729412 tox21-ror-cho-viability-p1 set3 4 2.29450992 5.22936784 5.27688592 7.94571287 4.58808002 1.4104296 2.67178235 0.55026463 1.83931197 -0.02565547 0.06335417 0.48300241 0.54631754 2.73994554 2.93898828 1.216E-9 2.719E-9 6.08E-9 1.36E-8 3.04E-8 6.7979999999E-8 1.5199999999E-7 3.3989999999E-7 7.5999999999E-7 0.000001699 0.0000037999999999 0.000008497 0.000018999999999 0.00004249 0.000094999999999 5407-04-5 94308 144208406 A A Dimethylaminopropyl chloride hydrochloride Cl.ClCCCN(C)C Tox21_201208 -NCGC00258383-01 196729420 tox21-ror-cho-viability-p1 set3 4 1.82207764 2.95296108 1.02498334 0.14012537 0.43414729 0.71301708 1.73291227 0.96246301 2.66073318 -2.05134352 1.38705675 4.32110893 2.16985913 2.25075496 1.21959179 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.0000016739999999 0.000003742 0.000008368 0.00001871 0.00004184 0.00009355 93-97-0 7167 144208027 FNS Benzoic anhydride O=C(OC(=O)c1ccccc1)c2ccccc2 Tox21_200829 -NCGC00090698-04 196729833 tox21-ror-cho-viability-p1 set3 4 1.10104758 -1.25480487 1.56122586 0.50208276 0.28944525 3.81764534 0.70915306 1.44148233 -0.9472668 -0.11657446 -3.17127451 -2.51761381 0.30530715 2.23711657 -0.64096614 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00258343-01 196729845 tox21-ror-cho-viability-p1 set3 -1.2 21.7120023439 -54.6154672986 1.0495604279 -53.5659068707 4.9549173134 0.9888470916 1.6E-9 1.82645157 -0.68142469 -1.62657514 -0.47401839 2.72050819 -0.58148888 2.44644191 4.31813693 1.59290593 -1.97486742 3.80553759 3.24322041 -15.19908627 -50.8999976 -54.69065451 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.476E-7 3.302E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.000092279999999 6088-51-3 22463 144207987 A A 6-Hydroxy-2-naphthyl disulfide Oc1ccc2cc(ccc2c1)SSc3ccc4cc(O)ccc4c3 Tox21_200789 -NCGC00257674-01 196730245 tox21-ror-cho-viability-p1 set3 4 8.5208913432 7.35622298 -1.85622298 5.5 0.8999999999 0.5631432889 0.1269975567 -3.90147683 0.67310285 0.74954178 -0.62996112 -0.00614331 -6.96351915 -0.93803266 -3.08317286 -1.02556596 0.01697995 0.54676013 1.91468321 3.35041922 2.10491839 5.93996334 1.167E-9 2.61E-9 5.836E-9 1.305E-8 2.918E-8 6.525E-8 1.459E-7 3.2629999999E-7 7.295E-7 0.000001631 0.000003648 0.000008157 0.000018239999999 0.00004078 0.00009119 120-57-0 8438 144207318 A A Piperonal O=Cc1ccc2OCOc2c1 Tox21_200120 -NCGC00091253-05 196730248 tox21-ror-cho-viability-p1 set3 4 -1.09958755 -0.05522636 0.77688106 -5.28783075 -12.62125235 -1.03077359 -9.59741524 -17.38013215 -22.45168347 -5.78736922 -3.28900678 -2.64791001 -11.18796182 -9.49155643 0.3041432 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00183103-01 196705019 tox21-ror-cho-viability-p1 set1 4 33.4914596268 11.8673090639 -0.8673090639 11 4.9549173134 0.6094278663 0.0916525421 -0.12037494 1.83333151 0.81287812 -3.63778996 1.26280171 1.56940214 1.24174615 -3.07838615 -3.63942422 1.16670817 -3.45084424 -0.04141272 -2.20773064 -0.7625845 9.41873232 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 9002-96-4 9938056 144206517 F Ac Tocophersolan O=C(OCCO)CCC(=O)Oc2c(C)c(C)c1O[C@@](C)(CCc1c2C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C Tox21_112964 -NCGC00160537-04 196705026 tox21-ror-cho-viability-p1 set1 4 -2.25147262 -4.22032051 1.19006901 -5.5781417 -0.46725932 2.0959683 -2.58598609 -1.25858699 -1.22860187 -1.2408039 -4.35380706 -4.92540273 -0.46474447 -1.07503773 -0.14541066 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00016825-06 196705037 tox21-ror-cho-viability-p1 set1 4 1.48424445 0.78127543 -1.33584251 0.08626985 -4.71213444 -9.37126021 -4.02864019 -4.09531395 -0.76971803 0.42122927 -0.921264 1.75922192 -2.98319905 -6.11947037 1.28351639 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 34161-23-4 161803 170466461 A Fipexide hydrochloride Cl.Clc1ccc(cc1)OCC(=O)N2CCN(CC2)Cc3ccc4OCOc4c3 Tox21_111394_1 -NCGC00259471-01 196705853 tox21-ror-cho-viability-p1 set1 4 13.6297781236 9.452973852 -8.452973852 1 3.0654483358 0.3285541358 0.3405335352 -13.87365886 -6.94122689 -8.43750425 -15.57205777 -8.80242932 -4.40696451 -8.54085155 -6.41179367 5.24800834 -16.62747821 -6.81655317 -7.78898339 -1.02051291 0.32872263 1.52379106 1.1759999999E-9 2.63E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.576E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.00000822 0.000018379999999 0.0000411 0.0000919 51580-86-0 23667638 144209120 Sodium dichloro-s-triazinetrione dihydrate [Na+].O.O.ClN1C([O-])=NC(=O)N(Cl)C1=O Tox21_201922 -NCGC00259986-01 196705868 tox21-ror-cho-viability-p1 set1 4 2.84280427 1.87675619 -1.81695004 5.14052757 8.78411906 1.68685268 2.17460994 2.355136 8.31422551 10.81922394 1.41175677 3.90458841 -1.09133314 1.83568256 6.72569178 1.172E-9 2.6199999999E-9 5.859E-9 1.31E-8 2.929E-8 6.55E-8 1.465E-7 3.275E-7 7.324E-7 0.0000016379999999 0.000003662 0.000008188 0.00001831 0.00004094 0.00009154 104-94-9 7732 144209635 A A 4-Methoxyaniline Nc1ccc(OC)cc1 Tox21_202437 -NCGC00094521-05 196706271 tox21-ror-cho-viability-p1 set1 -2.2 54.4826732819 -56.2818655389 -1.4534027199 -57.7352682588 1.78848746 0.8238184568 0.0046176544 2.24789381 -0.34195491 -9.50717575 -12.34740505 5.79518761 1.21067505 1.9699523 1.26827386 1.28228515 -7.28809253 -0.76882882 -0.17198266 -14.15979989 -17.73966906 -43.73883959 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00259652-01 196706279 tox21-ror-cho-viability-p1 set1 4 0.0972796597 -5.457743444 3 -2.457743444 2.3531167061 0.3217955296 0.3632436541 -2.43190099 5.35170646 2.43325009 7.66858223 2.81266509 0.13843703 -0.38001269 0.6312112 -10.38145287 -4.97209542 0.43458919 -3.7497484 0.02857802 2.40424896 5.23573266 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.96E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 23386-52-9 23692768 144209301 A A Dicyclohexyl sodium sulfosuccinate [Na+].O=C(OC1CCCCC1)C(CC(=O)OC2CCCCC2)S([O-])(=O)=O Tox21_202103 -NCGC00259819-01 196706286 tox21-ror-cho-viability-p1 set1 4 0.0220212256 5.210761692 -2.710761692 2.5 4.9549173134 0.4015550383 0.2726594117 -4.34230141 0.53105097 -3.11771493 -3.55463786 2.30152714 5.16489815 1.1522966 9.25428417 0.65482039 4.1357776 3.50476537 0.03517638 -1.3176588 -0.12846444 1.07045855 1.195E-9 2.6729999999E-9 5.9769999999E-9 1.337E-8 2.989E-8 6.683E-8 1.494E-7 3.341E-7 7.4709999999E-7 0.000001671 0.000003736 0.000008353 0.000018679999999 0.00004177 0.00009339 1861-40-1 2319 144209468 A A Benfluralin [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCCC)CC)C(F)(F)F Tox21_202270 -NCGC00259160-01 196706681 tox21-ror-cho-viability-p1 set1 -2.1 54.4272718766 -81.720346547 -6.775593601 -88.495940148 1.8851180601 0.9056029768 0.0002407778 -9.1612507 -12.03954965 -6.82851257 -3.55311947 -10.91285913 -9.44015657 -6.63588933 -4.62709836 -5.93176225 -21.69108806 0.71355711 -4.50211771 -11.95351399 -40.74022026 -67.0423789 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 122-39-4 11487 144208809 A A Diphenylamine c1ccccc1Nc2ccccc2 Tox21_201611 -NCGC00257313-01 196707514 tox21-ror-cho-viability-p1 set1 4 0.6113056486 -5.75566948 -14.7097864399 -20.4654559199 4.9549173134 0.5256563871 0.1570174448 -16.79040712 -15.71593012 -14.15244114 -18.61876077 -12.39235733 -14.93303302 -14.23820351 -10.5914887 -19.47150266 -21.88029496 -21.4224723 -21.87197607 -23.3045466 -13.32144884 -22.1722508 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 712-50-5 12837 144213955 A Cyclohexylphenylketone O=C(c1ccccc1)C2CCCCC2 Tox21_303653 -NCGC00255086-01 196714907 tox21-ror-cho-viability-p1 set2 4 0.0043277126 18.567981888 -11.567981888 7 0.2 0.6072166731 0.0929115243 -1.49348764 -7.97331824 -0.69105463 -0.31930201 0.11667433 0.00814234 2.63810468 2.76238343 0.03304024 -0.43267222 2.51333463 4.59718061 7.24512553 6.1061732 2.45318844 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-87-2 8080 144211505 FNS 3,4-Dihydro-2H-pyran C1=CCCCO1 Tox21_301188 -NCGC00255092-01 196714914 tox21-ror-cho-viability-p1 set2 4 21.6899429044 10.7508563319 -1.2508563319 9.5 4.0949729863 0.8403688758 0.004653025 -2.32758585 -0.81848342 0.19943038 -1.8781052 -0.14257077 -2.28654687 -2.53235777 -0.6598451 -0.07153304 -3.12571361 0.21691505 0.82797096 1.93359194 9.06653619 2.6812069 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-64-5 7945 144211511 FNS Ethyl isovalerate CC(C)CC(=O)OCC Tox21_301194 -NCGC00258431-01 196715318 tox21-ror-cho-viability-p1 set2 4 -1.39691026 -2.75317562 -5.16975587 -3.93878286 -2.77046958 -0.96648353 1.0784055 -3.47899093 -2.59193205 2.4349757 -1.69775022 -3.87434516 0.85581232 -2.62125548 -2.8278281 1.159E-9 2.592E-9 5.7959999999E-9 1.2959999999E-8 2.898E-8 6.48E-8 1.449E-7 3.24E-7 7.245E-7 0.00000162 0.000003622 0.0000080999999999 0.000018109999999 0.000040499999999 0.00009056 626-56-2 79081 144208075 AC Fns 3-Methylpiperidine CC1CCCNC1 Tox21_200877 -NCGC00257810-01 196715322 tox21-ror-cho-viability-p1 set2 1.1 1.3782908175 100.821430019 0.6402194049 101.4616494239 2.2526478767 0.9855235167 3.19E-8 -0.85086221 -2.16278388 3.66554417 -0.58249611 0.5673121 2.60909224 0.17294732 7.07690233 24.9500967 50.97691176 105.68921815 97.82991804 96.0377793 102.18454467 56.48702338 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.968E-8 6.6359999999E-8 1.484E-7 3.318E-7 7.4189999999E-7 0.000001659 0.0000037099999999 0.000008295 0.00001855 0.000041479999999 0.00009274 10102-45-1 24937 144207454 Thallium nitrate [Tl+].[O-][N+]([O-])=O Tox21_200256 -NCGC00258051-01 196715324 tox21-ror-cho-viability-p1 set2 4 5.14178372 2.02683108 3.04082562 -1.11871348 3.02368032 4.4506961 1.51582096 3.35350459 1.64820584 2.46913368 4.51968472 1.96488586 0.93782942 3.66317392 1.03905478 1.173E-9 2.624E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.000003667 0.0000081989999999 0.00001833 0.00004099 0.000091659999999 68-89-3 522325 144207695 A F Dipyrone [Na+].[O-]S(=O)(=O)CN(C)C=2C(=O)N(c1ccccc1)N(C)C=2C Tox21_200497 -NCGC00258203-01 196715328 tox21-ror-cho-viability-p1 set2 4 3.8570778872 9.1791825999 -6.1791825999 3 0.8999999999 0.5587047753 0.1292220768 -1.4763047 -1.43820073 -7.63871568 -13.0659855 -8.51473852 -3.39168645 -6.25165261 -6.40630178 -3.71137055 -1.44944348 -3.33350215 0.87651594 0.56539795 1.39885274 3.10118422 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.299E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.00001844 0.00004124 0.00009222 315-18-4 9414 144207847 A C Mexacarbate O=C(Oc1cc(C)c(c(C)c1)N(C)C)NC Tox21_200649 -NCGC00258442-01 196715729 tox21-ror-cho-viability-p1 set2 -2.4 70.4772133895 -34.051523984 -1.5 -35.551523984 4.9549173134 0.9052964621 0.000246042 -1.40254601 -3.80200092 -4.80206587 2.03620695 -3.30229886 -4.27081106 -0.42557813 -1.30168209 -4.19162688 0.48773419 2.66567783 -1.75029389 0.05491584 -2.46664128 -29.20960332 1.2069999999E-9 2.6979999999E-9 6.033E-9 1.349E-8 3.017E-8 6.745E-8 1.5079999999E-7 3.373E-7 7.541E-7 0.0000016859999999 0.0000037709999999 0.000008432 0.00001885 0.000042159999999 0.000094269999999 93-05-0 7120 144208086 C N,N-Diethylbenzene-1,4-diamine CCN(CC)c1ccc(N)cc1 Tox21_200888 -NCGC00258504-01 196715733 tox21-ror-cho-viability-p1 set2 4 -3.13508526 -5.56051411 -5.12771749 -3.4541403 1.22217469 -4.4701615 -3.68326412 -4.88959796 -1.53977536 -6.9133047 -3.92898355 -1.47712836 0.99003585 0.40993115 -1.33840604 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.679E-8 1.493E-7 3.3389999999E-7 7.467E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004174 0.00009334 1119-62-6 95116 144208149 A A 3,3'-Dithiodipropionic acid OC(=O)CCSSCCC(=O)O Tox21_200951 -NCGC00257718-01 196715740 tox21-ror-cho-viability-p1 set2 4 67.6838457892 -25.537404948 2 -23.537404948 4.9549173134 0.9148755945 0.000143756 1.50871811 1.5466811 2.71526645 2.03920282 4.05886793 5.47116842 0.96949843 1.05626233 1.74779253 0.09312535 -1.58682405 2.55887718 1.67619622 0.85145009 -18.78117079 1.167E-9 2.61E-9 5.835E-9 1.305E-8 2.918E-8 6.524E-8 1.459E-7 3.262E-7 7.294E-7 0.000001631 0.0000036469999999 0.0000081549999999 0.000018239999999 0.00004077 0.00009118 27193-86-8 171144 144207362 D Dodecylphenol Oc1ccccc1CCCCCCCCCCCC Tox21_200164 -NCGC00260354-01 196712028 tox21-ror-cho-viability-p1 set2 4 0.0216017426 5.5 2 7.5 1.21 0.3476064396 0.3249396432 2.25872912 2.85240052 4.41237223 0.47002437 4.88067055 9.23004632 7.0023171 10.21273738 8.78083107 5.85445633 0.16162809 7.2757579 9.05473383 10.93799388 5.3744219 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.9409999999E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.0000411 0.00009189 15646-46-5 1712094 144210006 Cc D Oxazolone O=C1OC(=N/C1=C\OCC)c2ccccc2 Tox21_202808 -NCGC00260257-01 196712015 tox21-ror-cho-viability-p1 set2 2.4 15.1836929739 26.2602207679 -0.2602207679 26 0.3 0.7891232607 0.0099570091 1.3242989 -0.21685064 2.16558999 0.60323691 1.70120625 8.51862929 6.09785295 11.12362634 7.23988245 6.98273016 7.6971056 7.76560014 12.7620455 14.32077985 20.62072088 1.1689999999E-9 2.615E-9 5.8469999999E-9 1.3069999999E-8 2.9229999999E-8 6.537E-8 1.462E-7 3.268E-7 7.308E-7 0.0000016339999999 0.0000036539999999 0.0000081709999999 0.00001827 0.00004086 0.000091349999999 327022-58-2 60196395 144209907 A A 1-Methyl-1-propylpyrrolidinium hexfluorophosphate C[N+]1(CCC)CCCC1.F[P-](F)(F)(F)(F)F Tox21_202709 -NCGC00356943-01 196712020 tox21-ror-cho-viability-p1 set2 4 -5.0895376 -12.72942599 -12.3667879 -9.71900683 -7.87287009 0 -57.59256046 -29.45316407 -24.69691961 -30.86978523 0 -3.94561098 -27.40129376 -52.98692446 0.91565473 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90982-32-4 56160 251919671 Ac Chlorimuron-ethyl O=C(Nc1nc(cc(Cl)n1)OC)NS(=O)(=O)c2ccccc2C(=O)OCC Tox21_303806 -NCGC00260560-01 196712259 tox21-ror-cho-viability-p1 set2 4 0.0018833632 14.050825004 -16.050825004 -2 0.4 0.3603732739 0.3275770722 -6.81891779 -15.04235417 -8.30324853 -6.83179719 -4.79804072 -1.71205646 -5.1831869 -8.97715891 -1.95307015 0 -7.62762917 0 -1.84460358 -5.97953024 -16.33257476 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49456 144210213 M M NTP Mix68 CT1 62-EQP Tox21_203015 -NCGC00260247-01 196711839 tox21-ror-cho-viability-p1 set2 2.4 68.5198756601 26.131364624 2.868635376 29 3.9294729863 0.8817276189 0.0007419917 -0.10947052 5.13806996 1.48753924 0.07208189 2.59178003 0.75476321 1.60259968 6.11603182 4.20226733 5.00413169 1.78042041 4.33296224 3.23583756 5.84490693 22.75918079 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.593E-8 1.474E-7 3.297E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009214 7324-00-7 21917397 144209897 A A 1-Hexylpyridinium iodide [I-].CCCCCC[n+]1ccccc1 Tox21_202699 -NCGC00357234-01 196711848 tox21-ror-cho-viability-p1 set2 4 61.130564862 17.620936712 1.379063288 19 1.4641 0.7595301338 0.0170445206 1.6230871 2.24418489 3.02400004 1.73945612 0.53372223 3.29804362 1.50825054 6.40794016 0.94688724 -0.51744726 1.34483972 1.83730594 3.26052161 5.7906346 14.69367741 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7786-61-0 332 251919945 B 2-Methoxy-4-vinylphenol Oc1ccc(cc1OC)C=C Tox21_304024 -NCGC00164127-03 196712254 tox21-ror-cho-viability-p1 set2 4 0.0243365162 15.5 -2 13.5 0.3 0.6497066526 0.0648271018 0.48978256 2.73945735 5.49406839 4.65688623 7.30925693 4.76343919 10.70135833 12.50573615 10.11716119 4.79482455 8.5799859 11.99842686 9.82210116 11.18630037 16.10544206 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00357165-01 196712264 tox21-ror-cho-viability-p1 set2 2.4 61.130564862 32.19649426 0.30350574 32.5 3.5722481694 0.9655348961 0.0000010713 -0.91071201 -0.59336862 0.83495836 -0.6806089 -0.00493548 1.66849592 1.26294723 -0.76982426 -0.63469079 0.36267959 -0.99707855 3.91892419 0.75412293 6.89279557 26.2874045 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16409-43-1 27866 251919876 4-Methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran CC1CC(C=C(C)C)OCC1 Tox21_303917 -NCGC00095227-06 196712659 tox21-ror-cho-viability-p1 set2 4 13.3331902297 -24.135022832 2 -22.135022832 0.9999999999 0.9134372274 0.0001561572 3.67443975 4.98621435 2.10381811 3.53683891 -0.07624167 4.26746721 0.04919725 -0.43548244 -0.38639557 0.34308182 -2.16766191 -4.36489334 -4.54334914 -12.90960997 -18.44585236 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72-48-0 6293 170465641 A Alizarin O=C3c1ccccc1C(=O)c2c3ccc(O)c2O Tox21_111486_1 -NCGC00183003-01 196712664 tox21-ror-cho-viability-p1 set2 2.4 26.6032120037 25.227637664 0.272362336 25.5 3.9899729863 0.9628646039 0.0000016331 0.6071089 1.56237422 -1.85636472 2.07631007 0.61446959 -1.02834801 -0.89084273 0.88898356 1.60485901 1.69496475 -0.76328394 0.70625677 -0.33932889 6.7602705 22.98957145 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16488-48-5 27891 144206803 A A Depolipon [Cl-].CC[NH+](CC)CCOC(=O)c1ccc(NCCCC)cc1 Tox21_113252 -NCGC00091902-08 196712676 tox21-ror-cho-viability-p1 set2 4 -2.49769421 -0.52268864 -3.99737576 -2.01948179 -3.66706025 -1.13914047 -3.24142369 -1.6070457 -1.40890267 -1.01414215 -0.04703706 -0.6272016 -1.38199412 0.12040339 -4.01123763 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00260066-01 196711448 tox21-ror-cho-viability-p1 set2 2.4 39.671655246 19.173072172 0.826927828 20 0.4 0.6849986171 0.0454651691 1.06023021 -2.64422681 2.84947077 1.14126811 0.89800062 -0.27986514 8.21091144 6.86378125 3.34692288 5.67328225 2.74982505 7.28159856 7.71729523 9.47086572 15.4205651 1.208E-9 2.7009999999E-9 6.0389999999E-9 1.3499999999E-8 3.02E-8 6.752E-8 1.51E-7 3.376E-7 7.549E-7 0.0000016879999999 0.000003775 0.0000084399999999 0.00001887 0.0000422 0.00009436 107-22-2 7860 144209715 FC Glyoxal O=CC=O Tox21_202517 -NCGC00255702-01 196711039 tox21-ror-cho-viability-p1 set2 4 -1.20761057 6.33585463 1.22838025 -0.66080756 -0.35091178 0.189121 0.11859222 -0.00739976 -2.03910557 0.97561787 0.48635283 -0.5310287 -1.93270301 -0.31734803 1.19038071 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16118-49-3 27689 144211879 A A Carbetamide CCNC(=O)C(C)OC(=O)Nc1ccccc1 Tox21_301562 -NCGC00255576-01 196711042 tox21-ror-cho-viability-p1 set2 4 4.9759826 1.84323594 1.16679084 1.81686813 0.74024498 0.64980504 2.75987815 -1.23223319 -0.28747178 -0.58462914 0.59228471 2.35429861 -1.33187597 -1.26532785 1.62383462 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58846-77-8 62142 144212254 A A Decyl beta-D-glucopyranoside OC[C@H]1O[C@@H](OCCCCCCCCCC)[C@H](O)[C@@H](O)[C@@H]1O Tox21_301937 -NCGC00357040-01 196711444 tox21-ror-cho-viability-p1 set2 -3 0.2433651621 -48.728381184 -3.8273318759 -52.5557130599 4.9549173134 0.9742196999 0.0010416076 -3.27557982 -3.88338092 -1.56476976 -6.71758515 -6.93891283 -0.40699011 -6.70585114 -43.79642755 -13.55672043 -5.70120637 -0.18414169 -8.8526588 -18.72508294 -11.63359879 -22.07030811 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 821-48-7 522769 251919952 A Bis(2-chloroethyl)amine hydrochloride Cl.ClCCNCCCl Tox21_303731 -NCGC00256825-01 196727448 tox21-ror-cho-viability-p1 set3 4 -6.30478404 -0.10587443 -5.7390883 -3.53734347 -0.86145046 -4.75635577 -6.45623436 -6.45210932 -4.84231431 -0.13327915 1.22631807 0.34404713 0.95800121 2.22328503 1.04950169 7.2519999999E-10 1.622E-9 3.6259999999E-9 8.108E-9 1.813E-8 4.054E-8 9.065E-8 2.0269999999E-7 4.5319999999E-7 0.0000010129999999 0.000002266 0.000005067 0.00001133 0.000025339999999 0.000056649999999 12108-13-3 60196372 144212976 Fns (Methylcyclopentadienyl)tricarbonylmanganese [Mn+].[C-]#[O+].[O+]#[C-].CC1C=[C-]C=C1.[O+]#[C-] Tox21_302659 -NCGC00090708-05 196727437 tox21-ror-cho-viability-p1 set3 -1.1 7.6958821542 -57.5573834248 -0.679345036 -58.2367284608 3.9294729863 0.9734772021 2.405E-7 1.01801427 1.96352488 -0.85900343 0.60810263 -7.51291752 -0.67560051 1.65976893 0.7844614 1.22019346 -7.66518077 -1.98413999 -31.67333193 -58.36123804 -64.82992548 -51.32824442 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00091643-08 196727438 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -24.2447861159 -2.5 -26.7447861159 2.3331733767 0.6563121855 0.0606447286 1.64577226 0.07245917 -5.52274143 -7.03194957 1.38604851 -4.93103513 -7.06938331 0.07730053 -0.56577349 -0.47833648 -5.73095351 1.64143777 -5.048116 -7.40130001 -18.95398843 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00090776-02 196727439 tox21-ror-cho-viability-p1 set3 4 -0.0478092 3.86146812 4.1067623 -2.00006052 2.2653651 -1.49777558 4.58969501 1.03500572 0.02471396 -2.6260733 4.94751918 0.30346292 3.07109143 2.00746195 3.32234344 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009079 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00256661-01 196727452 tox21-ror-cho-viability-p1 set3 4 3.37729655 -4.89699141 -1.51324648 -16.75863948 -2.18139307 -12.8899507 0 -0.17369357 0 0 0 -4.83711786 -3.36546101 1.65474228 -7.05738708 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 502-72-7 10409 144212782 A Ac Cyclopentadecanone O=C1CCCCCCCCCCCCCC1 Tox21_302465 -NCGC00255708-01 196727853 tox21-ror-cho-viability-p1 set3 4 0.7077905 4.01698753 11.85469559 -0.3211153 15.02189957 5.96287892 7.56751027 11.58584544 15.08205888 8.23161044 7.41592599 9.74444415 7.55997444 1.44234149 2.37803376 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-60-7 7151 144212355 A A Methyl nicotinate COC(=O)c1cccnc1 Tox21_302038 -NCGC00259031-01 196709178 tox21-ror-cho-viability-p1 set2 4 -1.08214318 -0.48273029 -3.82140158 -0.24779813 -3.00610567 1.04493406 0.30885189 0.97747132 -2.19412894 0.57421047 -1.32149314 -1.00577895 -1.68491983 -2.46331807 2.88469046 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.000091989999999 538-23-8 10850 144208678 A F Tricaprylin O=C(CCCCCCC)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC Tox21_201480 -NCGC00259386-01 196709196 tox21-ror-cho-viability-p1 set2 4 3.77936442 0.52018265 -0.50055722 -0.07976965 -0.46468826 0.44982772 0.04124203 -0.48725919 -0.40371519 -0.87395441 -0.9285603 -0.76638474 0.92264695 0.07145311 0.87217527 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.56E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003667 0.0000082 0.00001834 0.000041 0.00009168 680-31-9 12679 144209035 A A Hexamethylphosphoramide CN(C)P(=O)(N(C)C)N(C)C Tox21_201837 -NCGC00259587-01 196709598 tox21-ror-cho-viability-p1 set2 4 2.27988905 1.67145567 4.34154739 1.32869822 2.70280378 2.17649663 1.41139122 0.16657054 0.81419289 2.33997934 -0.94258137 4.40322322 2.21797693 0.37989128 -1.06281197 1.27E-9 2.839E-9 6.348E-9 1.42E-8 3.174E-8 7.098E-8 1.587E-7 3.549E-7 7.9349999999E-7 0.0000017739999999 0.000003968 0.0000088719999999 0.00001984 0.000044359999999 0.000099189999999 107-21-1 174 144209236 A Ac Ethylene glycol OCCO Tox21_202038 -NCGC00259591-01 196709606 tox21-ror-cho-viability-p1 set2 4 -0.00483631 -1.23295006 0.10304865 0.05996938 -0.98530536 -0.07119949 1.96964978 -0.21625073 1.78312065 2.50263097 0.30522224 0.34882618 1.94121507 2.29183166 2.02113697 1.182E-9 2.6429999999E-9 5.9109999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.304E-7 7.3889999999E-7 0.0000016519999999 0.0000036939999999 0.000008261 0.000018469999999 0.000041299999999 0.000092359999999 141-17-3 8836 144209240 A A Bis[2-(2-butoxyethoxy)ethyl] hexandioate CCCCOCCOCCOC(=O)CCCCC(=O)OCCOCCOCCCC Tox21_202042 -NCGC00259028-01 196709615 tox21-ror-cho-viability-p1 set2 2.1 43.2331187906 115.8642482735 -2.269252112 113.5949961615 2.4063783767 0.9833607189 1.63E-8 -3.61797507 -2.62357737 -4.40987418 -0.86467695 -0.07703571 0.52196052 -0.97547783 -0.01540668 -1.53803685 -2.70970947 -0.6259088 0.11356375 0.58427989 59.07903919 95.13818774 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.947E-8 6.591E-8 1.474E-7 3.295E-7 7.368E-7 0.000001648 0.000003684 0.000008238 0.00001842 0.00004119 0.00009211 389-08-2 4421 144208675 A A Nalidixic acid O=C(O)C2=CN(CC)c1nc(C)ccc1C2=O Tox21_201477 -NCGC00255435-01 196710014 tox21-ror-cho-viability-p1 set2 4 0.0013685429 9.744420668 -10.244420668 -0.5 4.9549173134 0.4343515686 0.2432444481 -7.70368389 0.06448699 -0.10232691 -3.84201168 -3.26196308 -0.37800302 -2.28811679 0.47243622 0.99536723 5.01165406 -1.12592679 -1.01731502 -1.15716054 -0.02206335 -2.06924811 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 762-04-9 12977 144212350 Fns Diethyl phosphite CCOP(O)OCC Tox21_302033 -NCGC00255880-01 196710016 tox21-ror-cho-viability-p1 set2 4 5.70195876 -0.34246357 0.98298 -0.721121 0.60164412 -0.58935531 0.27977542 0.98022385 0.78122022 -3.0071908 -0.2949466 0.06526392 0.97954977 0.5001985 5.25122502 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-94-5 8454 144211529 Fns N-Methylpyrrolidine CN1CCCC1 Tox21_301212 -NCGC00090827-04 196710025 tox21-ror-cho-viability-p1 set2 4 0.0015449045 11.4470287 -10.9470287 0.5 2.8472712143 0.6669227982 0.0562038874 -7.45585725 -1.23488095 -1.22358753 0.66523126 0.34030366 0.71326665 -0.77892059 0.11678684 0.02840522 -0.477904 0.92274226 -0.62292395 1.52854808 1.22221768 5.31427346 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00255220-01 196710020 tox21-ror-cho-viability-p1 set2 4 -1.21847656 1.74928299 0.76573357 -0.84613208 1.75106335 3.09987573 -0.62771064 -0.11857367 2.30962301 -0.08104901 -0.09089315 1.84715989 -0.32019472 0.26337796 5.85507253 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-39-6 60976 144212124 A A Metepa CC1CN1P(=O)(N2CC2C)N3CC3C Tox21_301807 -NCGC00255921-01 196710021 tox21-ror-cho-viability-p1 set2 4 2.41577709 -1.12801882 3.63375393 -0.03575145 -1.15796186 2.34579198 -1.17400227 1.09364979 -0.75599135 0.88323662 -0.38427589 0.22286578 0.26358092 -1.02168702 1.2953099 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 621-76-1 69311 144212416 F Fns Tripropyl orthoformate CCCOC(OCCC)OCCC Tox21_302099 -NCGC00256268-01 196710024 tox21-ror-cho-viability-p1 set2 4 4.99182425 4.30939049 4.63815951 4.19774197 1.96827778 1.41526079 -0.29949089 1.04229497 -0.11909754 1.08592344 2.79997769 1.23709022 0.27552792 2.88092755 2.40222678 1.281E-9 2.863E-9 6.4029999999E-9 1.4319999999E-8 3.2009999999E-8 7.159E-8 1.6009999999E-7 3.579E-7 8.004E-7 0.00000179 0.000004002 0.000008948 0.00002001 0.00004474 0.000099999999999 52628-03-2 90551 144211594 F F 2-Hydroxyethyl methacrylate phosphate O=C(OCCOP(O)(O)=O)C(=C)C Tox21_301277 -NCGC00255431-01 196710031 tox21-ror-cho-viability-p1 set2 -2.4 68.5896218971 -29.103623836 -1.5 -30.603623836 2.9022712143 0.8761000489 0.0009272334 -2.81859764 -6.73393758 -0.87331998 -3.24794487 -0.21983998 -2.38857464 1.74178041 -1.82249859 0.22600256 -0.92155635 0.34150318 -3.19456865 -3.05757724 -6.38999414 -22.16968653 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21145-77-7 89440 144211573 A A 6-Acetyl-1,1,2,4,4,7-hexamethyltetralin CC(=O)c1cc2c(cc1C)C(C)(C)C(C)CC2(C)C Tox21_301256 -NCGC00255900-01 196710424 tox21-ror-cho-viability-p1 set2 4 6.10999019 -1.4515928 -0.26958753 -1.84912718 3.17497857 -1.46954606 1.42788581 2.35259193 -1.41849313 0.0319586 4.64762716 0.14245714 0.13133156 0.25288671 0.10568486 1.216E-9 2.72E-9 6.0809999999E-9 1.36E-8 3.041E-8 6.7989999999E-8 1.5199999999E-7 3.4E-7 7.6019999999E-7 0.0000016999999999 0.000003801 0.000008499 0.000018999999999 0.000042499999999 0.00009502 15046-75-0 23681382 144212214 A Fc Sodium 2-methylbenzenesulfonate [Na+].Cc1ccccc1S(=O)([O-])=O Tox21_301897 -NCGC00160443-02 196717809 tox21-ror-cho-viability-p1 set2 4 -2.20416561 1.28449438 -2.55280035 -0.31406709 -2.28459155 -0.05126319 -3.78711536 -6.47157457 0.70411232 0.58291381 -1.82013738 0.98542681 -1.2978851 1.02361191 0.7954656 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7413-36-7 6317 170466210 A Nifenalol O=[N+]([O-])c1ccc(cc1)C(O)CNC(C)C Tox21_113084_1 -NCGC00017323-08 196717394 tox21-ror-cho-viability-p1 set2 4 0.45680954 -0.10982799 4.00357734 0.36129109 5.22893258 0.24813825 1.04703095 0.32706363 3.97955588 6.57069013 -0.07112396 3.88914433 -1.11399333 1.15200479 5.41385178 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64-75-5 54704426 170464838 I Tetracycline hydrochloride Cl.NC(=O)C1=C(O)[C@@H](N(C)C)[C@@H]2C[C@H]4C(=C(O)[C@]2(O)C1=O)C(=O)c3c(O)cccc3[C@@]4(C)O Tox21_110355_1 -NCGC00253719-01 196717404 tox21-ror-cho-viability-p1 set2 4 0.003349146 14.04535166 -13.04535166 1 0.4 0.7376606443 0.0237893564 -10.03779305 -5.70896676 -7.30631451 -3.77584825 -2.60491293 -0.93334164 -7.07124205 -2.68093269 1.55592671 0.14389398 0.63598704 0.09295921 -0.10929075 0.51727084 0.46782328 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53786-28-0 104607 170466670 A A 5-Chloro-1-(4-piperidyl)-1H-benzimidazol-2(3H)-one Clc1cc2NC(=O)N(c2cc1)C3CCNCC3 Tox21_113838 -NCGC00274059-01 196717808 tox21-ror-cho-viability-p1 set2 4 23.7101376556 16.228408432 -4.228408432 12 0.3 0.6425290698 0.0694796327 -6.44034036 -4.13168539 -2.56042805 -3.72153389 0.6348647 -1.07227589 -0.95447347 -2.92855143 1.31154564 -0.84159235 1.94626467 -2.24565592 2.23054162 2.30178977 8.8129518 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 121032-29-9 3011155 170464759 A Nelarabine Nc3nc2c(ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)c(OC)n3 Tox21_112714_1 -NCGC00261974-01 196713676 tox21-ror-cho-viability-p1 set2 4 0.026603212 4.5834328919 -3.5834328919 1 4.9549173134 0.6161933996 0.0878745047 -2.31671447 -0.35989792 -5.12103764 -6.31952741 -3.53520556 -0.09594526 -0.17463403 0.03794065 0.75190934 0.20050749 -0.26251265 0.3375956 0.58338459 1.53816342 4.3410651 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15351-09-4 71872 170466582 A F Metamfepramone O=C(C(C)N(C)C)c1ccccc1 Tox21_113894 -NCGC00164499-03 196713267 tox21-ror-cho-viability-p1 set2 4 0.0059557173 -14.154581448 12.5 -1.654581448 1.9673362061 0.9299477085 0.0000521396 11.76437386 11.43995409 11.02860382 2.548867 1.87034392 -1.80140548 -0.37922763 -2.3335731 0.78645264 -2.43222232 -4.29548454 -2.00488672 -3.54793502 -0.70692597 -1.22736906 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 43119-47-7 27990 170465780 F DL-alpha Tocopheryl nicotinate CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc3c(O1)c(C)c(C)c(OC(=O)c2cccnc2)c3C Tox21_112137_1 -NCGC00016528-05 196713270 tox21-ror-cho-viability-p1 set2 4 -1.8877903 -2.34970274 -3.88985994 0.56887638 -4.58955584 0.42364136 -4.09453 1.31149067 -3.11928829 -1.43427714 -1.80626394 -11.13308365 -3.7950013 -4.45609742 -3.8884046 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 637-32-1 9570076 170464800 A Proguanil hydrochloride Cl.Clc1ccc(NC(=N)NC(=N)NC(C)C)cc1 Tox21_110476_1 -NCGC00274064-01 196713273 tox21-ror-cho-viability-p1 set2 4 0.0298492948 -8.5 11 2.5 1.4641 0.7943752752 0.012499976 10.59545111 12.37500539 10.09184626 9.19695193 8.765277 8.20363481 2.5634371 1.34451476 1.33052805 2.26860832 2.1111979 0.89070494 2.93589007 7.8192235 8.74577573 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33755-46-3 63047 170465191 I Betamethasone valerate OCC(=O)[C@@]4(OC(=O)CCCC)[C@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_111565_1 -NCGC00015269-06 196713681 tox21-ror-cho-viability-p1 set2 -2.4 29.8492948118 -25.6766103761 -3.1875831239 -28.8641935 0.5 0.8339351412 0.0035935969 -0.16921554 -0.15631927 -4.34346275 -5.72536832 -3.98895449 -5.59063775 -6.21832296 -5.51406661 -4.59870814 -7.78450742 -10.45306986 -8.32727207 -9.15754424 -14.21968004 -20.72016125 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68550-75-4 2753 170466220 A Cilostamide CN(C1CCCCC1)C(=O)CCCOc2ccc3NC(=O)C=Cc3c2 Tox21_110119_1 -NCGC00091468-02 196713691 tox21-ror-cho-viability-p1 set2 4 -2.84987364 -2.65711212 -3.12597935 -2.58239498 0.50954193 0.09077035 0.81069439 0.31916354 -0.17269161 0.34024342 1.06006801 1.6197778 0.47294067 0.39929508 5.52748066 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00254109-01 196714096 tox21-ror-cho-viability-p1 set2 4 0.79751558 0.71839261 1.7267903 1.45284529 0.87563125 4.0287592 0.94001794 1.06896649 -0.34536418 2.60799994 0.23684519 5.34706435 2.63433138 0.69742272 -0.23217836 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004107 0.00009184 851916-42-2 60196412 144210583 A A MK-812 CO[C@@H]4COCC[C@@H]4[NH2+][C@H]1C[C@](CC1)(C(=O)N2Cc3cc(cnc3CC2)C(F)(F)F)C(C)C.[O-]C(=O)CCC(=O)O Tox21_300263 -NCGC00254946-01 196714525 tox21-ror-cho-viability-p1 set2 4 54.4826732819 -20.077115408 1.5 -18.577115408 3.9294729863 0.9357521404 0.0000330853 2.18951729 0.13061939 0.9631961 0.2072959 0.48037126 2.60776949 -0.26064315 0.62978238 2.63494912 2.35795116 1.25453861 4.3618605 1.51972621 -3.22444078 -16.31426284 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 28434-00-6 62829 144211361 A A S-Bioallethrin O=C2C[C@H](OC(=O)[C@@H]1[C@@H](/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_301044 -NCGC00254926-01 196714338 tox21-ror-cho-viability-p1 set2 -2.2 41.6463820906 -44.7055782619 -4 -48.7055782619 0.9999999999 0.790952266 0.0095537746 0.3168342 -4.41673122 0.31754042 -8.21174477 -0.72166494 -5.82544196 -8.73401686 -11.36789077 0.09324943 -7.68701615 -7.57812058 -3.7640577 -16.1622865 -16.81755435 -36.89816535 7.7859999999E-10 1.7409999999E-9 3.893E-9 8.705E-9 1.947E-8 4.353E-8 9.733E-8 2.176E-7 4.8659999999E-7 0.000001088 0.000002433 0.0000054409999999 0.000012169999999 0.000027199999999 0.00006083 153233-91-1 153974 144211341 A A Etoxazole CC(C)(C)c1cc(OCC)c(cc1)C2N=C(OC2)c3c(F)cccc3F Tox21_301024 -NCGC00090698-04 196713925 tox21-ror-cho-viability-p1 set2 4 1.19344773 -0.15536712 -0.12098421 1.38655404 0.66406626 0.15783816 0.5923812 0.33306602 1.18842958 0.42651975 0.25957053 4.54334056 3.96287675 1.38501978 1.09138776 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00254385-01 196714326 tox21-ror-cho-viability-p1 set2 4 0.29539893 3.38332899 0.51652527 0.74378963 2.51683382 1.96005158 -1.67813169 -1.09884936 2.57029771 2.90517729 1.12976257 2.36794512 3.29529892 -0.96575848 3.36381052 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-92-2 31276 144210691 FNS 3-Methylbutyl acetate CC(=O)OCCC(C)C Tox21_300373 -NCGC00253928-01 196714330 tox21-ror-cho-viability-p1 set2 4 0.0968854161 -6.065156772 2.5 -3.565156772 1.111 0.3889537421 0.3002724318 0.42011353 2.2046153 7.73119496 -0.73169502 1.07881872 0.17607173 -2.48974373 -0.23487033 0.60064044 -8.61952789 -10.05429731 -2.94452194 -1.59623898 0.27740512 1.20528604 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15307-79-6 5018304 144210585 A A Diclofenac sodium [Na+].Clc2cccc(Cl)c2Nc1ccccc1CC([O-])=O Tox21_300265 -NCGC00182070-03 196713105 tox21-ror-cho-viability-p1 set2 4 -5.06465874 -4.77953925 -3.95626462 -0.97228056 -2.7785012 -0.82868724 -2.62657242 -1.4421404 -3.05737087 1.30907482 0.42998409 1.27179491 -0.62450912 3.53261392 2.60276792 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 107793-72-6 3743 170465160 A Ioxilan OCC(O)CNC(=O)c1c(I)c(N(CC(O)CO)C(C)=O)c(I)c(c1I)C(=O)NCCO Tox21_113127_1 -NCGC00016256-17 196712703 tox21-ror-cho-viability-p1 set2 4 0.3349145963 -6.993089176 0.5 -6.493089176 1.0999999999 0.6465588764 0.0789924667 0.39942251 1.78048187 1.80605482 -1.34714575 0.16882212 -0.59863002 -1.44041316 -1.48046075 -1.80199173 -6.43381235 -3.39707599 -11.24424098 -2.2238623 -7.00584924 -0.06691362 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-14-0 4993 170464930 A Pyrimethamine CCc1nc(N)nc(N)c1c2ccc(Cl)cc2 Tox21_110332_1 -NCGC00160364-02 196712707 tox21-ror-cho-viability-p1 set2 4 3.62142435 4.1248763 -1.95695844 4.33606217 3.32559319 5.20916217 -0.51363382 2.3806512 -0.42265319 -1.70091022 -0.11436681 -0.69462976 0.20767906 -1.17911998 -1.02773098 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104-22-3 66909 170466263 A Benzylsulfamide Nc1ccc(cc1)S(=O)(=O)NCc2ccccc2 Tox21_111765_1 -NCGC00015362-05 196713101 tox21-ror-cho-viability-p1 set2 4 0.55494127 -1.13171227 0.45119093 -1.14372549 -0.49028018 -1.57975886 0.31250193 -1.30696031 -1.01568674 0.54992467 0.1659643 0.66148802 0.02920127 -0.36229434 -5.19117217 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15639-50-6 3058739 170466518 A Safingol N[C@@H](CO)[C@@H](O)CCCCCCCCCCCCCCC Tox21_111227_1 -NCGC00091086-02 196713111 tox21-ror-cho-viability-p1 set2 4 -0.43552326 -6.19281756 -5.79653815 -1.35259278 -3.88657725 1.25874393 -0.68413915 0.58194758 -1.10834557 0.00305429 -4.74052407 1.16823898 0.85191342 0.64948327 1.64997868 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00091011-05 196713117 tox21-ror-cho-viability-p1 set2 2.1 27.3060203028 75.6288601641 -2.900372473 72.7284876911 2.2481167061 0.981051322 3.47E-8 -4.98106929 -6.47982644 -0.09765943 -3.99809658 -2.36716394 -4.06731051 -3.41768402 -0.41673588 -0.67859075 -3.16162774 2.26072476 2.32160317 18.67192927 46.57780831 76.01178846 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00178737-05 196713118 tox21-ror-cho-viability-p1 set2 4 0.51867362 -0.49549829 -0.10751153 -2.07752637 -0.38253066 -0.83046343 1.39854103 -0.3556284 -0.62238569 0.02537627 -2.80021707 -2.38609456 0.11547255 0.99686155 1.41543434 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4330-99-8 6604495 170465278 A Trimeprazine tartrate O=C(O)[C@H](O)[C@H](O)C(=O)O.CN(C)C[C@H](C)CN1c3ccccc3Sc2ccccc12.CN(C)C[C@H](C)CN1c3ccccc3Sc2ccccc12 Tox21_110755_1 -NCGC00024574-03 196713525 tox21-ror-cho-viability-p1 set2 4 1.46566885 4.02319055 2.26446809 0.36404225 3.90286219 -1.628823 1.20941856 -1.93785786 0.10763911 2.3870182 3.43823106 1.16806591 1.20717394 -0.56621174 0.94505051 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 124756-23-6 71346 170466789 C Binospirone mesylate CS(=O)(=O)O.O=C4CC1(CCCC1)CC(=O)N4CCNCC2COc3ccccc3O2 Tox21_113054_1 -NCGC00021148-08 196713539 tox21-ror-cho-viability-p1 set2 4 -2.22156584 -2.41786138 -2.63847115 -3.37871686 0.83424352 2.75541971 1.77130008 0.13051076 -0.46660559 0.25233317 -2.36440364 -3.5916171 -0.57011641 2.13781915 -0.39334786 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56392-17-7 441308 170464652 A Metoprolol tartrate O=C(O)[C@H](O)[C@@H](O)C(=O)O.CC(C)NCC(O)COc1ccc(CCOC)cc1.CC(C)NCC(O)COc1ccc(cc1)CCOC Tox21_110787_1 -NCGC00258207-01 196729952 tox21-ror-cho-viability-p1 set3 4 0.3912057164 -15.34499336 0.5 -14.84499336 4.9549173134 0.6216184253 0.0948630695 1.51962715 0.00466826 1.51877008 0.83284841 -0.81928106 -1.83247829 0.30549208 -2.88095177 -21.72240557 -22.93336866 -24.8708278 -6.41513992 -8.75477441 -4.47473289 -4.97717596 1.194E-9 2.6689999999E-9 5.968E-9 1.3339999999E-8 2.9839999999E-8 6.672E-8 1.4919999999E-7 3.3359999999E-7 7.4599999999E-7 0.000001668 0.00000373 0.00000834 0.00001865 0.0000417 0.00009324 17026-81-2 28207 144207851 A A 3-Amino-4-ethoxyacetanilide CCOc1ccc(cc1N)NC(C)=O Tox21_200653 -NCGC00262931-01 196725270 tox21-ror-cho-viability-p1 set3 4 0.5685871 -0.1787054 1.63580804 1.3962061 0.79769761 -0.83393657 -0.45757025 -0.80675225 -2.55931777 -4.43886192 5.43560133 -1.28458649 -5.17773389 -2.66515586 -3.05346159 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 137975-06-5 119369 170466304 A F Mozavaptan Cc1ccccc1C(=O)Nc2ccc(cc2)C(=O)N4CCCC(c3ccccc34)N(C)C Tox21_113926 -NCGC00249917-01 196725275 tox21-ror-cho-viability-p1 set3 4 13.3331902297 -10.984025452 2.5 -8.484025452 3.0654483358 0.5917071677 0.1190100186 2.35044152 -0.1514026 1.53312848 2.09353508 1.10414736 2.17746524 3.37703817 1.47802864 6.95674868 7.05794444 -0.01861137 1.70554121 0.15300251 -7.07002121 -0.41665312 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 24166-13-0 2816 170465787 A A Cloxazolam Clc1ccccc1C34OCCN4CC(=O)Nc2ccc(Cl)cc23 Tox21_113693 -NCGC00258169-01 196729521 tox21-ror-cho-viability-p1 set3 4 4.99840567 4.8194595 3.92631663 3.98861072 4.37910477 3.9058874 5.49539195 2.68572534 -1.00090734 -1.51005431 0.57439496 -1.43876688 0.6155521 0.06798854 -2.3780091 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.6299999999E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008287 0.00001853 0.000041439999999 0.00009265 56511-17-2 11076461 144207813 A A 1-Butyl-1-methylpyrrolidinium iodide [I-].CCCC[N+]1(C)CCCC1 Tox21_200615 -NCGC00258650-01 196729523 tox21-ror-cho-viability-p1 set3 4 0.49848634 -2.79362664 0.34461597 -3.43775311 -0.2424243 -0.78796484 -0.73046366 0.82148541 0.15793336 0.04333828 0.26814652 0.59276177 -1.70710739 -0.0492293 -4.32144099 1.2089999999E-9 2.7039999999E-9 6.047E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.0000189 0.00004225 0.00009448 478-43-3 10168 144208296 A A Rhein O=C(O)c3cc2C(=O)c1cccc(O)c1C(=O)c2c(O)c3 Tox21_201098 -NCGC00258653-01 196729950 tox21-ror-cho-viability-p1 set3 4 -2.52311265 -5.84903835 -3.33677406 -0.21552247 -4.96063733 -2.09341578 -5.30477859 -2.21234357 -1.29112791 -1.70442234 0.52742826 0.98886325 -0.71063138 0.7989079 1.21444275 1.172E-9 2.621E-9 5.8609999999E-9 1.311E-8 2.931E-8 6.553E-8 1.465E-7 3.277E-7 7.327E-7 0.0000016379999999 0.0000036629999999 0.000008192 0.00001832 0.00004096 0.00009159 21285-46-1 18603 144208299 A (2E)-2,3-Dibromo-2-butene-1,4-diol BrC(CO)=C(Br)CO Tox21_201101 -NCGC00090686-07 196730346 tox21-ror-cho-viability-p1 set3 4 12.1971512362 9.7494762319 -0.7494762319 9 2.4063783767 0.8088690944 0.0095058832 -2.50647141 -2.26770005 -0.87311549 -2.25896185 -1.35436622 1.41862671 1.24045022 -1.57558608 2.04711323 -2.70789686 0.0270083 1.66351668 6.77728955 8.57539313 1.45865285 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00257891-01 196730348 tox21-ror-cho-viability-p1 set3 4 1.50263715 1.28668421 -1.07750442 -5.03136243 -3.06604424 -6.19324938 -4.07339985 -9.47361964 -3.14939317 -13.40051577 0 0 -5.80217138 -1.391386 -1.84503261 1.2169999999E-9 2.7209999999E-9 6.084E-9 1.36E-8 3.042E-8 6.802E-8 1.521E-7 3.401E-7 7.604E-7 0.0000016999999999 0.0000038019999999 0.000008502 0.00001901 0.00004251 0.00009506 600-25-9 11750 144207535 A A 1-Chloro-1-nitropropane CCC(Cl)[N+]([O-])=O Tox21_200337 -NCGC00163919-02 196730349 tox21-ror-cho-viability-p1 set3 4 70.1970324498 -20.85093758 4 -16.85093758 0.7 0.5700925056 0.1199004146 2.19182429 3.47516621 12.76609044 0.15322243 6.35795633 3.33683249 2.17604873 1.56371133 1.49027711 1.53501434 2.29337075 -2.00856217 0.18360055 -1.2005673 -10.70911465 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00258728-01 196730353 tox21-ror-cho-viability-p1 set3 4 0.43433126 0.1343989 0.550604 0.83419246 -4.76525895 0.38144333 0.29848918 -4.89432999 0.99975435 0.32456599 -4.20130971 0.58334698 -1.06186428 1.5852672 1.43004158 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.315E-8 2.94E-8 6.573E-8 1.4699999999E-7 3.2869999999E-7 7.3489999999E-7 0.000001643 0.000003674 0.0000082159999999 0.00001837 0.00004108 0.000091859999999 10563-29-8 82728 144208374 A A Dimethyldipropylenetriamine CN(C)CCCNCCCN Tox21_201176 -NCGC00258664-01 196730358 tox21-ror-cho-viability-p1 set3 4 -0.00747264 -0.80873019 0.80591093 0.21414957 -0.36217481 -0.46001506 1.69509973 -0.00047142 -0.60796013 2.31724464 0.87615991 -1.14284781 -3.44585628 -2.81800497 -3.57829199 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.484E-7 3.317E-7 7.4179999999E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.000041469999999 0.000092719999999 127-20-8 517058 144208310 A A Dalapon-sodium [Na+].CC(Cl)(Cl)C([O-])=O Tox21_201112 -NCGC00090760-08 196730361 tox21-ror-cho-viability-p1 set3 -2.4 60.7577547203 -31.9262003439 -2.5 -34.4262003439 2.2526478767 0.8052200538 0.007136059 0.12074819 -4.79903638 -5.97420568 0.8849191 0.22281345 -6.21384035 -4.5548832 0.13598625 -3.74701866 -5.06803617 0.79635375 1.85833025 -8.68412513 -10.01107095 -25.77183362 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00260167-01 196712101 tox21-ror-cho-viability-p1 set2 4 30.7937103556 -16.525667268 -2 -18.525667268 0.8999999999 0.3516296239 0.3349221591 -1.59258689 0.97504 -0.92399704 -1.65244665 0.48031627 -0.02350476 -11.31907958 -1.20198637 -2.14513588 -8.74085668 0 -0.82129174 -13.77138939 -10.05719493 7.76317635 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.961E-8 6.622E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001655 0.000003702 0.0000082769999999 0.00001851 0.00004139 0.00009254 174899-66-2 2734246 144209817 A A 1-Butyl-3-methylimidazolium trifluoromethanesulfonate CCCCn1cc[n+](C)c1.FC(F)(F)S([O-])(=O)=O Tox21_202619 -NCGC00357055-01 196712096 tox21-ror-cho-viability-p1 set2 4 -3.91502877 -4.39199195 -8.17816567 -19.50058935 -12.00709295 0 -2.223234 -26.99725304 -3.15007725 -18.12851409 -10.24058187 -10.25381776 0 -24.36746382 -23.7246151 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84-15-1 6766 251919831 A o-Terphenyl c1cc(ccc1)c3ccccc3c2ccccc2 Tox21_303755 -NCGC00357007-01 196712099 tox21-ror-cho-viability-p1 set2 -1.1 4.1078041289 -86.9832381593 0.295161774 -86.6880763853 4.4494702849 0.987957596 2.5E-9 5.31001849 -0.65140934 0.44929852 -1.79516879 -0.63941877 -0.97803788 -0.68152931 5.60526371 -0.38488002 -7.38523482 -0.14994929 -1.01075408 -53.35025117 -80.62738886 -91.44311855 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 2597-93-5 17437 251919798 Ethyl(4,5,6,7,8,8-hexachloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)mercury ClC2=C(Cl)C3(Cl)C1C(C(=O)N([Hg]CC)C1=O)C2(Cl)C3(Cl)Cl Tox21_303854 -NCGC00260068-01 196712100 tox21-ror-cho-viability-p1 set2 2.4 61.5037543138 30.118702152 0.881297848 31 3.5117481694 0.9071214677 0.000223369 2.67046452 4.39269909 -1.67606626 0.46549349 -2.59891846 3.3542896 0.26530943 0.38603486 2.95624884 -0.03596541 0.09041512 -1.56880761 3.55973835 6.75799739 25.24390774 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003707 0.0000082899999999 0.00001854 0.00004145 0.00009268 80-13-7 3552 144209717 F Halazone O=S(=O)(N(Cl)Cl)c1ccc(cc1)C(=O)O Tox21_202519 -NCGC00090987-03 196712103 tox21-ror-cho-viability-p1 set2 4 -3.69738468 -3.74997059 -7.2028655 -6.40710926 -0.81087111 -4.09165331 0 -8.22817197 -12.76313887 0 0 -7.68125884 -3.8461176 -20.29857713 -2.40248321 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00258205-01 196712108 tox21-ror-cho-viability-p1 set2 4 -0.37117036 -1.05113096 0.05548105 -1.16089707 1.68491958 0.46265237 1.92778996 -3.16201086 1.75298471 4.79087489 3.8976562 3.00071662 5.46158842 -1.4194593 0.15444266 1.1469999999E-9 2.564E-9 5.733E-9 1.282E-8 2.867E-8 6.41E-8 1.433E-7 3.205E-7 7.1659999999E-7 0.000001602 0.000003583 0.000008012 0.00001792 0.00004006 0.000089579999999 101-14-4 7543 144207849 A A 4,4'-Methylenebis(2-chloroaniline) Nc2ccc(Cc1ccc(N)c(Cl)c1)cc2Cl Tox21_200651 -NCGC00164449-04 196712510 tox21-ror-cho-viability-p1 set2 4 1.0407185 0.22779566 0.7159796 -1.65012435 0.83545444 1.20955039 1.42288472 0.20074998 -0.15954164 0.48094289 1.61989496 1.32109058 -0.3310685 3.28840973 4.27306088 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00015570-07 196712919 tox21-ror-cho-viability-p1 set2 2.4 23.7101376556 21.408807236 -1.408807236 20 1.752947691 0.8990569225 0.0003413436 -3.5460736 -3.67400603 0.59071023 -3.38633728 -0.08186339 -0.36879283 -3.38257047 0.23421073 -0.82620107 0.67473106 -3.04103276 0.45904668 2.42115855 7.48751357 15.7800745 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 81167-16-0 133621 170466588 A Imiloxan CCn3ccnc3CC1COc2ccccc2O1 Tox21_110175_1 -NCGC00016526-07 196712934 tox21-ror-cho-viability-p1 set2 4 0.004216325 -8.5195419999 8.5 -0.0195419999 3.0654483358 0.8236549094 0.0047340959 7.73932029 8.45699213 8.33942886 -0.94838966 -0.91943058 -1.96695222 1.09939925 -1.05929532 0.05636276 -1.02549539 -2.516285 0.67135848 1.92445539 1.0024547 1.50687495 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 633-65-8 12456 170465752 A Berberine [Cl-].COc2ccc1cc3c4cc5OCOc5cc4CC[n+]3cc1c2OC Tox21_110474_1 -NCGC00022680-05 196713343 tox21-ror-cho-viability-p1 set2 4 0.80841642 -0.2272576 0.12151445 1.61479882 -1.20107564 -0.31251882 -1.15029666 1.25405413 0.19751788 0.01014176 0.31118914 1.38352309 0.2778113 1.45210296 -6.85686126 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 302-22-7 9324 170465776 A Chlormadinone acetate CC(=O)[C@@]3(OC(C)=O)CC[C@H]2[C@@H]4C=C(Cl)C1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_110881_1 -NCGC00025132-04 196713351 tox21-ror-cho-viability-p1 set2 4 -2.10569309 -7.24857282 -2.40522152 -1.98543025 -1.82473788 -1.45209764 -2.73909105 -1.40293109 -0.98169358 -0.50644223 -0.20391841 1.32562741 0.21037719 2.59897133 1.28254029 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94535-50-9 93504 170466479 A Levcromakalim O=C3CCCN3[C@@H]1c2cc(ccc2OC(C)(C)[C@H]1O)C#N Tox21_110948_1 -NCGC00178060-03 196713352 tox21-ror-cho-viability-p1 set2 4 -0.19428459 -0.43307941 1.39481464 -1.46752994 -3.80249577 -1.58392966 -0.90600501 -5.21636606 -1.98413414 -2.15441512 -1.98482424 1.10253189 2.8994069 0.85455435 1.23746262 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3644-61-9 92965 170465769 A Tolperisone hydrochloride Cl.CC(CN1CCCCC1)C(=O)c2ccc(C)cc2 Tox21_111360_1 -NCGC00258512-01 196716586 tox21-ror-cho-viability-p1 set2 4 -2.28209444 -1.05972933 -2.81810087 0.36048763 0.69822025 -0.57325072 -3.24365892 0.49411382 -2.36727357 1.20482504 -3.12038125 -10.00762917 0.61934451 -0.41264494 -2.02798561 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 90-41-5 7015 144208157 A A 2-Biphenylamine Nc2ccccc2c1ccccc1 Tox21_200959 -NCGC00258138-01 196715769 tox21-ror-cho-viability-p1 set2 4 0.88485765 -0.29927702 3.1529146 -0.14821196 -0.34920124 0.41207879 0.72722802 0.35232536 2.30764235 -0.29183495 2.25395061 1.75663195 0.61178593 0.00905391 0.17017924 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003673 0.0000082119999999 0.000018359999999 0.00004106 0.000091819999999 227617-70-1 11243457 144207782 A A 1-Butyl-2,3-dimethylimidazolium hexafluorophosphate CCCCn1cc[n+](C)c1C.F[P-](F)(F)(F)(F)F Tox21_200584 -NCGC00091602-02 196715773 tox21-ror-cho-viability-p1 set2 4 1.10671726 1.28707265 2.32531499 1.98065408 4.51612779 1.48841042 1.55907747 1.08507005 4.88045263 0.80410885 4.32749792 -1.34934919 1.05066045 -2.01920263 -1.21856345 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00257762-01 196716192 tox21-ror-cho-viability-p1 set2 4 2.55438612 3.05778648 0.35150845 -0.6650835 -0.05271387 1.28519233 1.14262386 3.9082002 2.13602998 2.33259987 1.16170271 1.11599391 -0.28717405 -0.4944504 1.51443876 1.162E-9 2.598E-9 5.8089999999E-9 1.299E-8 2.905E-8 6.495E-8 1.4519999999E-7 3.247E-7 7.2619999999E-7 0.000001624 0.0000036309999999 0.000008119 0.000018149999999 0.00004059 0.000090769999999 54143-56-5 41022 144207406 A A Flecainide acetate CC(=O)O.FC(F)(F)COc2cc(C(=O)NCC1CCCCN1)c(OCC(F)(F)F)cc2 Tox21_200208 -NCGC00258758-01 196716601 tox21-ror-cho-viability-p1 set2 4 -0.55872376 0.59725354 0.16021264 0.20865502 0.41725202 -0.72567138 -0.19935047 -0.11763282 -0.35967467 -2.14504534 -0.70274688 -0.46637047 3.1491549 4.20212796 0.23061608 1.157E-9 2.587E-9 5.786E-9 1.2939999999E-8 2.8929999999E-8 6.4689999999E-8 1.446E-7 3.234E-7 7.2319999999E-7 0.000001617 0.0000036159999999 0.000008086 0.000018079999999 0.00004043 0.0000904 17369-59-4 6259976 144208404 A B 3-Propylidenephthalide CC\C=C1\OC(=O)c2ccccc12 Tox21_201206 -NCGC00016564-06 196717002 tox21-ror-cho-viability-p1 set2 4 2.08756714 1.53464989 0.60299181 3.71242563 3.39178169 4.84997792 3.67506305 1.5317237 1.63311588 4.12775654 0.72928451 1.27676338 -0.6035431 0.18017832 1.26998615 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1115-70-4 14219 170464804 Z Metformin Cl.N=C(N)NC(=N)N(C)C Tox21_110498_1 -NCGC00257792-01 196716207 tox21-ror-cho-viability-p1 set2 4 62.3759962783 -14.1981225079 0 -14.1981225079 1.5385888099 0.7968718161 0.0087366179 -0.36726229 -0.11089755 2.30276341 2.41680088 -0.24233342 -0.09423845 -2.54095159 0.26240768 0.29909831 -0.24054419 -1.05492529 -0.30154382 -3.525018 -3.08410875 -10.16510209 1.1999999999E-9 2.683E-9 5.999E-9 1.3409999999E-8 2.999E-8 6.707E-8 1.5E-7 3.353E-7 7.498E-7 0.000001677 0.000003749 0.000008383 0.00001875 0.00004192 0.00009373 91-68-9 7062 144207436 A A 3-Diethylaminophenol Oc1cccc(c1)N(CC)CC Tox21_200238 -NCGC00258263-01 196716197 tox21-ror-cho-viability-p1 set2 4 -1.85225387 -3.25113221 -1.84197864 0.24401857 3.77121819 0.16999203 -0.44240872 -0.39680607 -0.46437931 -1.037335 -5.22202233 -0.89768249 0.27236512 -0.00584651 0.62507054 1.193E-9 2.667E-9 5.963E-9 1.333E-8 2.982E-8 6.6669999999E-8 1.491E-7 3.3339999999E-7 7.4539999999E-7 0.0000016669999999 0.0000037269999999 0.0000083339999999 0.00001864 0.00004167 0.00009318 96-13-9 7281 144207907 A A 2,3-Dibromopropanol BrC(CBr)CO Tox21_200709 -NCGC00257822-01 196716198 tox21-ror-cho-viability-p1 set2 4 13.33705193 8.59327422 8.84463757 0.03847758 7.71915165 7.04589777 6.29607146 11.41302855 9.06084733 8.51300057 11.90341549 10.68423865 10.33415135 10.02229444 1.28483833 1.163E-9 2.5999999999E-9 5.8139999999E-9 1.2999999999E-8 2.9069999999E-8 6.5E-8 1.453E-7 3.25E-7 7.267E-7 0.000001625 0.000003634 0.000008125 0.00001817 0.000040619999999 0.00009084 101-68-8 7570 144207466 D 4,4'-Diphenylmethane diisocyanate O=C=N/c1ccc(cc1)Cc2ccc(/N=C=O)cc2 Tox21_200268 -NCGC00258635-01 196716204 tox21-ror-cho-viability-p1 set2 4 1.59873098 1.10489433 1.30686066 2.75341903 0.05710542 -0.04939247 3.29714863 0.15681585 -0.49980106 -1.41799993 3.0713718 3.89610101 1.81154955 0.00837053 5.63927778 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.968E-8 6.6359999999E-8 1.484E-7 3.318E-7 7.4189999999E-7 0.000001659 0.000003709 0.000008295 0.00001855 0.000041469999999 0.00009274 223437-11-4 11048104 144208281 A 1-Butyl-1-methylpyrrolidinium bis(trifluoromethanesulfonyl)imide CCCC[N+]1(C)CCCC1.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F Tox21_201083 -NCGC00258155-01 196716624 tox21-ror-cho-viability-p1 set2 4 -0.14896482 0.59216683 5.27500301 0.45484241 -0.14066407 -0.91656444 1.05500041 -0.16579523 0.50837059 -3.17499959 -0.69334232 0.44822495 -0.27640449 0.23704628 -1.12869172 1.219E-9 2.7269999999E-9 6.097E-9 1.3629999999E-8 3.048E-8 6.816E-8 1.524E-7 3.408E-7 7.621E-7 0.000001704 0.0000038109999999 0.000008521 0.00001905 0.0000426 0.00009526 22113-87-7 159924 144207799 A A Methylammonium nitrate CN.[O-][N+](=O)O Tox21_200601 -NCGC00258725-01 196716627 tox21-ror-cho-viability-p1 set2 4 3.03773312 2.5241432 3.06143343 2.91239817 4.43875064 2.1341302 1.0286061 3.55934806 4.2397882 0.23697461 2.09786927 -0.013596 1.0138641 -0.34514034 -2.19479817 1.185E-9 2.651E-9 5.927E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3129999999E-7 7.409E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009261 7756-96-9 24433 144208371 A A Butyl anthranilate Nc1ccccc1C(=O)OCCCC Tox21_201173 -NCGC00257940-01 196716629 tox21-ror-cho-viability-p1 set2 4 -0.99353345 -1.71058156 -3.30501024 0.02351697 2.14007525 -1.71878172 0.97708149 0.66025654 -0.60327561 -2.08932049 2.06647735 1.95599536 -3.89733275 -1.86296212 -1.78835706 1.159E-9 2.591E-9 5.793E-9 1.2949999999E-8 2.8969999999E-8 6.4769999999E-8 1.448E-7 3.238E-7 7.241E-7 0.0000016189999999 0.0000036209999999 0.000008096 0.0000181 0.000040479999999 0.00009052 99-09-2 7423 144207584 A A 3-Nitroaniline O=[N+]([O-])c1cccc(N)c1 Tox21_200386 -NCGC00090827-04 196715205 tox21-ror-cho-viability-p1 set2 4 6.1628234838 9.520213796 -7.020213796 2.5 1.0999999999 0.6383419459 0.0717470005 -7.18238493 -7.5611984 -5.16957244 -7.48137971 -2.16072443 -11.26684483 -9.37931286 -5.67089112 -5.11540844 -7.02274269 -2.06559742 -0.27214764 -3.47304823 5.39540916 0.54415194 1.188E-9 2.656E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.641E-8 1.4849999999E-7 3.321E-7 7.425E-7 0.0000016599999999 0.000003712 0.0000083009999999 0.00001856 0.000041509999999 0.00009281 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00253923-01 196714782 tox21-ror-cho-viability-p1 set2 4 0.1535530364 -5.180701344 -1.5123834239 -6.6930847679 0.9999999999 0.3757868496 0.297895657 -0.72616763 -4.34998808 -2.01685311 -1.56782104 -0.01031952 -2.73444395 -4.02213239 -9.2111082 -0.01568943 -10.57757064 -4.80318984 -8.35562863 -5.22590573 -4.04545548 -7.98060216 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 150-13-0 978 144210407 A A 4-Aminobenzoic acid OC(=O)c1ccc(N)cc1 Tox21_300087 -NCGC00254631-01 196714790 tox21-ror-cho-viability-p1 set2 -2.4 61.130564862 -35.5609159599 -3 -38.5609159599 2.2526478767 0.8760030542 0.0009267581 -2.41089903 0.32807968 1.383355 -5.63250045 -3.66230077 -1.93429364 -2.18913981 -5.9758694 -7.67762167 -4.50873382 -0.57773281 -0.47523492 -7.26155892 -11.76782685 -28.8007633 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2642-82-2 17533 144211042 A A 2,2-Bis(4-chlorophenyl)ethanol Clc1ccc(cc1)C(CO)c2ccc(Cl)cc2 Tox21_300725 -NCGC00254813-01 196715199 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -12.9403723879 -0.5 -13.4403723879 4.9549173134 0.7461001789 0.0212231482 1.60484141 -1.37250029 0.21008101 -0.05469132 1.48093168 -0.92886814 -1.39999005 -2.55137835 1.94370343 -0.24839821 -3.00788854 1.07973324 -0.91622703 0.12824182 -10.36697699 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-68-9 6982 144211226 A A 6-Chlorothymol Oc1cc(C)c(Cl)cc1C(C)C Tox21_300909 -NCGC00258048-01 196715599 tox21-ror-cho-viability-p1 set2 -1.2 14.1179933112 -35.2756523919 3.5 -31.7756523919 3.0654483358 0.9602160101 0.0000023797 2.64437388 0.92193231 1.49702153 4.36806295 4.94230633 7.61909836 0.93500692 4.53966241 4.47415009 0.5638884 -1.42249879 2.58185858 -23.26128171 -30.55315067 -31.06304366 1.211E-9 2.707E-9 6.054E-9 1.3539999999E-8 3.027E-8 6.7689999999E-8 1.514E-7 3.3839999999E-7 7.568E-7 0.0000016919999999 0.0000037839999999 0.0000084609999999 0.00001892 0.0000423 0.00009459 39156-41-7 38221 144207692 BC F 2,4-Diaminoanisole sulfate Nc1cc(N)ccc1OC.O=S(=O)(O)O Tox21_200494 -NCGC00257891-01 196715604 tox21-ror-cho-viability-p1 set2 4 -4.93736788 -0.35563506 -1.08560041 1.56465226 0.65182848 -3.50994234 -4.94026741 -4.23416749 -0.98367014 -6.77989186 -4.54432041 -6.30476031 -5.87645396 2.96992316 -1.72134655 1.2169999999E-9 2.7209999999E-9 6.084E-9 1.36E-8 3.042E-8 6.802E-8 1.521E-7 3.401E-7 7.604E-7 0.0000016999999999 0.0000038019999999 0.000008502 0.00001901 0.00004251 0.00009506 600-25-9 11750 144207535 A A 1-Chloro-1-nitropropane CCC(Cl)[N+]([O-])=O Tox21_200337 -NCGC00165924-04 196716883 tox21-ror-cho-viability-p1 set2 4 0.0668242473 4.888845112 -1.888845112 3 3.5117481694 0.5381572454 0.1477039812 0.28034928 -2.15626717 -6.99070426 -0.22398392 0.79990976 -2.46498944 1.1485681 2.02997063 3.44962865 4.19985043 4.19100362 4.40741217 2.71010497 0.51182801 0.35614197 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 70989-04-7 107921 170465368 A (S)-Mephenytoin CC[C@]1(NC(=O)N(C)C1=O)c2ccccc2 Tox21_111783_1 -NCGC00257869-01 196715643 tox21-ror-cho-viability-p1 set2 4 -1.04602331 0.64361259 0.73860556 -0.6068433 -1.18497788 0.96398997 -0.98704192 -2.96538279 -2.29366207 -2.24122286 -1.98832972 -0.40269422 -1.38683033 -1.77199112 -1.69419786 1.154E-9 2.5799999999E-9 5.7679999999E-9 1.29E-8 2.884E-8 6.449E-8 1.4419999999E-7 3.224E-7 7.21E-7 0.000001612 0.000003605 0.000008061 0.00001802 0.0000403 0.00009012 404-86-4 1548943 144207513 A A Capsaicin Oc1ccc(cc1OC)CNC(=O)CCCC/C=C/C(C)C Tox21_200315 -NCGC00257644-01 196716047 tox21-ror-cho-viability-p1 set2 4 -0.9763859 -0.28309651 -2.84590187 -0.06207629 -1.54347357 -3.37536913 -1.55127902 1.49822541 1.36986527 1.32546458 -1.57974003 1.50486992 -0.07014836 1.84020039 3.36929138 1.175E-9 2.628E-9 5.877E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.346E-7 0.000001643 0.000003673 0.0000082129999999 0.000018359999999 0.00004107 0.000091819999999 645-09-0 12576 144207288 A A 3-Nitrobenzamide O=[N+]([O-])c1cc(ccc1)C(N)=O Tox21_200090 -NCGC00257572-01 196716058 tox21-ror-cho-viability-p1 set2 4 -3.91120951 2.17076546 -5.18133145 0.47214654 -2.90465359 -6.4888149 1.2851279 -2.90702001 3.24946212 2.81863737 -6.9828453 -5.64619726 -4.81539997 -0.71579956 -3.66363025 1.2009999999E-9 2.6849999999E-9 6.0029999999E-9 1.3419999999E-8 3.002E-8 6.712E-8 1.501E-7 3.356E-7 7.5039999999E-7 0.0000016779999999 0.0000037519999999 0.00000839 0.00001876 0.00004195 0.000093799999999 100-39-0 7498 144207216 A A alpha-Bromotoluene BrCc1ccccc1 Tox21_200018 -NCGC00167519-02 196716892 tox21-ror-cho-viability-p1 set2 4 -2.73497595 -3.32158312 -4.35749104 -3.14596658 -3.10917123 -4.42542574 -1.55251426 -2.15432518 0.34935399 -1.73978485 -0.06188027 -0.07531271 0.12913451 -0.58163276 0.80505427 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 116649-85-5 123879 170465980 A Ramatroban Fc1ccc(cc1)S(=O)(=O)N[C@H]3Cc4c2ccccc2n(CCC(=O)O)c4CC3 Tox21_112516_1 -NCGC00016000-13 196717290 tox21-ror-cho-viability-p1 set2 -2.1 70.1970324498 -102.7309203558 -5.299320345 -108.0302407008 1.0999999999 0.7536463757 0.0183505916 1.15211201 -0.4411758 -1.70094461 -1.4562314 -2.12476302 -0.68120041 -0.15727538 -10.94278125 -17.52294006 -19.35627242 -21.79411136 -15.60239419 -23.65800854 -18.54479079 -81.84109144 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00257866-01 196701775 tox21-ror-cho-viability-p1 set1 4 -2.71230985 -1.27434965 -12.78771864 -1.34904293 -4.54685221 -0.52987099 0.58061348 0.42806213 -3.4733766 -3.51619406 -5.6885705 -10.03781706 -6.80961711 -8.99025524 -0.2688718 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.481E-7 3.311E-7 7.4029999999E-7 0.000001655 0.000003701 0.0000082769999999 0.00001851 0.00004138 0.00009253 32536-52-0 6537506 144207510 D Octabromodiphenyl ether Brc1c(cc(Br)c(Br)c1Br)Oc2cc(Br)c(Br)c(Br)c2Br Tox21_200312 -NCGC00255480-01 196700957 tox21-ror-cho-viability-p1 set1 4 -5.29934697 1.03190544 -5.78876713 2.25279714 0.04786855 -7.03415958 -6.10874027 1.40747042 -2.58707095 -2.13763262 -2.45840677 -9.39061361 -15.50836137 -2.73349277 -1.49812207 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2996-92-1 18137 144211628 F F Trimethoxyphenylsilane CO[Si](OC)(OC)c1ccccc1 Tox21_301311 -NCGC00256290-01 196701354 tox21-ror-cho-viability-p1 set1 4 0.7594252403 3.7741813759 -2.2741813759 1.5 4.9549173134 0.3369120777 0.3354200797 -2.33921318 1.60271719 -7.72848448 -4.44551177 -0.77117274 0.98517903 -4.6720822 -2.55446987 -0.57513796 4.75015357 -3.08913983 2.23491171 2.86000575 1.64631015 0.23933768 1.167E-9 2.609E-9 5.8339999999E-9 1.304E-8 2.917E-8 6.522E-8 1.458E-7 3.261E-7 7.2919999999E-7 0.000001631 0.000003646 0.000008153 0.00001823 0.000040759999999 0.00009115 6228-25-7 80373 144211969 A A 1,3-Dioxane-5,5-diyldimethanol OCC1(CO)COCOC1 Tox21_301652 -NCGC00255394-01 196701371 tox21-ror-cho-viability-p1 set1 4 16.4290743378 9.9106371039 -0.9106371039 9 4.9549173134 0.8224898658 0.0048708209 -2.42553092 -1.05166502 0.2737975 -1.66606682 -2.40029454 -0.34884194 0.70481439 -1.20393289 -0.77660062 2.77098115 -1.56830662 -0.99995172 -0.8363426 10.55030726 7.43255391 7.7269999999E-10 1.7279999999E-9 3.864E-9 8.639E-9 1.932E-8 4.32E-8 9.659E-8 2.1599999999E-7 4.829E-7 0.00000108 0.0000024149999999 0.0000054 0.00001207 0.000027 0.000060369999999 16470-24-9 6850780 144212253 FC C.I. Fluorescent Brightener 220 [Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)Nc2nc(nc(n2)N(CCO)CCO)Nc6ccc(/C=C/c3ccc(cc3S([O-])(=O)=O)Nc5nc(Nc4ccc(cc4)S([O-])(=O)=O)nc(n5)N(CCO)CCO)c(c6)S([O-])(=O)=O Tox21_301936 -NCGC00258655-01 196701776 tox21-ror-cho-viability-p1 set1 4 1.63755387 -0.65367026 1.72488971 3.29111561 3.29089053 1.28882937 1.53599054 1.27854715 5.70309757 1.64315576 -7.09630834 1.17781075 8.36580421 1.63506318 2.99781886 1.1609999999E-9 2.5969999999E-9 5.8069999999E-9 1.299E-8 2.9039999999E-8 6.493E-8 1.4519999999E-7 3.246E-7 7.259E-7 0.000001623 0.000003629 0.000008116 0.000018149999999 0.000040579999999 0.000090739999999 100-74-3 7525 144208301 FC N-Ethylmorpholine CCN1CCOCC1 Tox21_201103 -NCGC00258048-01 196701783 tox21-ror-cho-viability-p1 set1 -1.2 7.075758012 -35.915337102 2.360173246 -33.555163856 4.9549173134 0.9724263915 3.006E-7 0.64091179 -0.62091089 0.40628359 3.99398249 0.08901199 -0.8343256 7.51752061 5.19495483 2.04444 0.10469283 4.49761846 -23.55442945 -32.71716823 -32.13665535 -35.27901447 1.211E-9 2.707E-9 6.054E-9 1.3539999999E-8 3.027E-8 6.7689999999E-8 1.514E-7 3.3839999999E-7 7.568E-7 0.0000016919999999 0.0000037839999999 0.0000084609999999 0.00001892 0.0000423 0.00009459 39156-41-7 38221 144207692 BC F 2,4-Diaminoanisole sulfate Nc1cc(N)ccc1OC.O=S(=O)(O)O Tox21_200494 -NCGC00257728-01 196702186 tox21-ror-cho-viability-p1 set1 4 -0.58486902 -2.67832598 3.58728062 3.06469307 0.97266935 3.09533742 -0.25336926 -1.14630656 4.49147225 1.68472902 0.68530711 2.16376833 7.42868917 -2.71154585 -1.96459035 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 881-03-8 13432 144207372 A A 1-Nitro-2-methylnaphthalene [O-][N+](=O)c2c(C)ccc1ccccc12 Tox21_200174 -NCGC00258076-01 196702187 tox21-ror-cho-viability-p1 set1 4 1.60470588 -1.19679175 1.15344282 8.73923229 3.01901516 8.13011475 2.87423127 0.7313001 4.60787401 4.48242956 5.35521917 1.3385576 5.08108146 -0.18126725 5.72100102 1.1919999999E-9 2.6649999999E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004163 0.000093099999999 822-87-7 13203 144207720 A A 2-Chlorocyclohexanone O=C1CCCCC1Cl Tox21_200522 -NCGC00091602-02 196718763 tox21-ror-cho-viability-p1 set2 4 -7.84933138 -2.7689715 -1.91441072 -8.6709883 -3.81127399 -6.51945231 -2.14171804 -7.21575858 -3.8092581 -6.6041758 -1.93137779 0.96875835 -2.36146602 -5.74200444 -8.68430886 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00256657-01 196718344 tox21-ror-cho-viability-p1 set2 4 1.9331181962 7.0537494159 -8.0537494159 -1 1.21 0.5017693147 0.1779854148 -9.07516237 -10.87101884 -7.01788002 0.02465305 -13.79479118 -8.55930935 -6.15678941 -7.40445511 -7.05423306 -6.05351132 -0.69045227 -2.69114481 -2.05093396 -1.47769552 -0.71474448 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 4643-27-0 521196 144213034 F 2-Octen-4-one CC=CC(=O)CCCC Tox21_302717 -NCGC00256745-01 196718746 tox21-ror-cho-viability-p1 set2 4 1.9784169984 4.5703239759 -0.0703239759 4.5 4.9549173134 0.3221504459 0.3642546408 -0.19111991 1.60137246 1.59463198 -1.04008321 0.56397067 -1.21668194 2.61126265 -9.22526998 0.56471122 2.1101219 0.79173072 6.58504279 2.45931316 4.75484978 -0.43774613 5.073E-10 1.134E-9 2.536E-9 5.6719999999E-9 1.268E-8 2.8359999999E-8 6.341E-8 1.418E-7 3.17E-7 7.0889999999E-7 0.0000015849999999 0.000003545 0.000007926 0.00001772 0.00003963 2043-55-2 74887 144212901 1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodohexane FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)F Tox21_302584 -NCGC00257052-01 196718749 tox21-ror-cho-viability-p1 set2 4 4.3277125691 12.090231116 -5.090231116 7 0.6 0.5436443718 0.157466192 -4.77511432 -6.65556189 -5.66906124 1.17682196 -8.40852593 -8.14606498 0.11877695 -0.41350444 0.16808042 -5.09233576 -1.40889314 4.20521642 3.48263232 4.76739627 0.38644756 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 108-38-3 7929 144213520 Fns m-Xylene Cc1cccc(C)c1 Tox21_303203 -NCGC00256409-01 196719175 tox21-ror-cho-viability-p1 set2 4 -2.960155 -12.96875015 -14.09325299 1.92651819 -14.93819215 -16.03039604 -12.88847029 -2.92687017 -9.39103041 -16.29893098 -10.09046746 -11.12476655 -1.17581948 -2.06981876 -0.65940022 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-00-1 67174 144213310 A A Diphenolic acid Oc1ccc(cc1)C(C)(CCC(=O)O)c2ccc(O)cc2 Tox21_302993 -NCGC00259341-01 196724332 tox21-ror-cho-viability-p1 set3 4 54.1504058934 -19.697227888 0 -19.697227888 3.5722481694 0.5679400098 0.1212560669 -3.39198739 0.59125088 -5.38710093 -7.70982365 7.93158686 1.29291778 -1.7451366 2.05193527 -1.99832065 -0.70726707 3.99767843 4.45605534 0.61275473 -5.61219601 -16.83102324 1.1739999999E-9 2.626E-9 5.871E-9 1.3129999999E-8 2.9349999999E-8 6.564E-8 1.468E-7 3.282E-7 7.339E-7 0.000001641 0.000003669 0.000008205 0.00001835 0.00004102 0.00009173 57-83-0 5994 144208990 A A Progesterone CC(=O)[C@H]2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_201792 -NCGC00178376-05 196717465 tox21-ror-cho-viability-p1 set2 4 0.3349145963 -5.4454645799 3.5 -1.9454645799 4.9549173134 0.4456538775 0.2299381047 0.70561787 0.92290982 0.22234852 8.31262493 -0.27666372 1.42351797 9.62513253 6.77227584 -0.46436052 -1.43713889 -2.70412252 -0.25989471 -3.28788715 -1.72310063 -1.58536327 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-40-5 5338 170465653 A Sulfaquinoxaline Nc1ccc(cc1)S(=O)(=O)Nc2cnc3ccccc3n2 Tox21_110027_1 -NCGC00257243-01 196718666 tox21-ror-cho-viability-p1 set2 4 -4.40255599 -6.26704053 -4.30461678 -2.89379475 -5.57988575 -5.85294725 1.15248719 -4.10475714 -13.82435832 -2.69358414 -4.28767348 1.68376228 -10.96107327 -8.40726778 -6.23269728 1.144E-9 2.559E-9 5.7219999999E-9 1.2789999999E-8 2.861E-8 6.397E-8 1.4299999999E-7 3.199E-7 7.1519999999E-7 0.0000015989999999 0.0000035759999999 0.000007996 0.000017879999999 0.000039979999999 0.0000894 989-51-5 65064 144213767 A A (-)-Epigallocatechin gallate Oc1cc(cc(O)c1O)C(=O)O[C@@H]3Cc2c(cc(O)cc2O)O[C@@H]3c4cc(O)c(O)c(O)c4 Tox21_303457 -NCGC00256359-01 196718665 tox21-ror-cho-viability-p1 set2 4 -0.77205643 -0.47933175 -1.62325239 0 -17.75110894 -0.74791382 -4.42810235 -1.07692749 5.60612536 4.31721415 4.77270554 -0.20038887 -2.96035452 -0.83200676 0.74175365 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7758-19-2 23668197 144213117 Sodium chlorite [Na+].[O-]Cl=O Tox21_302800 -NCGC00257104-01 196718286 tox21-ror-cho-viability-p1 set2 4 1.44922829 -1.0825753 0.8370865 1.01582367 -1.79311024 3.91159213 1.31910982 2.76699368 5.50351232 3.15516587 4.11344312 2.36410592 3.55933781 7.65679044 5.63093926 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-09-4 16402 144213440 F Ac 1,6-Hexanediamine NCCCCCCN Tox21_303123 -NCGC00015081-04 196717876 tox21-ror-cho-viability-p1 set2 -2.4 29.8492948118 -23.630902488 0.5 -23.130902488 4.9549173134 0.8917961337 0.0004799852 -0.18267534 1.31271662 0.58175114 4.78674471 -2.3179812 3.47331508 -1.38680721 -0.63267943 1.74448286 0.007533 0.92989682 -2.24945703 1.71571179 -2.34206377 -20.94241874 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 75529-73-6 73334 170466525 A Amperozide hydrochloride Cl.Fc1ccc(cc1)C(CCCN2CCN(CC2)C(=O)NCC)c3ccc(F)cc3 Tox21_111208_1 -NCGC00159417-06 196717884 tox21-ror-cho-viability-p1 set2 -2.1 62.5631710251 -106.1646729398 -1.063034151 -107.2277070908 3.2474983358 0.9745284014 1.909E-7 0.54197204 -5.53696708 0.62877142 5.12180316 -0.22495135 0.75164188 -0.59239772 -0.2782581 -0.49063107 -1.06722833 0.38480797 -8.24385832 -10.13797109 -21.25371637 -85.50853835 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00257230-01 196719109 tox21-ror-cho-viability-p1 set2 4 -4.033859 -3.59760874 -4.61211939 2.87390616 1.81534249 -1.51724792 -2.36522855 -0.44793988 -3.38830802 -5.09220709 -3.11010456 2.15316318 0.09705961 2.03335755 0.35289198 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 999-97-3 13838 144213598 Fns Hexamethyldisilazane C[Si](C)(C)N[Si](C)(C)C Tox21_303281 -NCGC00257509-01 196719114 tox21-ror-cho-viability-p1 set2 -2.4 61.130564862 -31.42824986 1 -30.42824986 4.9549173134 0.9797324172 5.16E-8 0.83576783 0.1349696 1.25861949 -1.092943 1.8411036 0.46949104 0.26620874 2.65290385 1.60531377 1.09614997 2.39775953 1.18574633 -0.85728113 -2.78231245 -27.02354155 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 127-25-3 173058 144213817 A F Methyl abietate CC(C)C=3CC[C@H]1C(=CC[C@H]2[C@@](C)(CCC[C@]12C)C(=O)OC)C=3 Tox21_303509 -NCGC00256411-01 196719115 tox21-ror-cho-viability-p1 set2 -2.2 30.6378586933 -40.139995572 -4 -44.139995572 1.4641 0.8221175905 0.0048203016 -7.23518049 -7.32125792 -5.79720977 -2.44708744 -9.61287368 -11.63113281 -11.41260527 -4.8077617 -4.31933201 -7.45062033 0.62067548 -8.58490185 -21.22761215 -24.90889439 -38.44999631 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 860-22-0 5284351 144213049 C Fns C.I. Acid Blue 74 [Na+].[Na+].[O-]S(=O)(=O)c1cc2C(=O)C(\Nc2cc1)=C4/Nc3ccc(cc3C4=O)S([O-])(=O)=O Tox21_302732 -NCGC00256551-01 196719124 tox21-ror-cho-viability-p1 set2 4 1.28587842 -0.68583645 1.40333828 0.97949997 0.82444673 4.09866079 5.13987766 4.11615029 0.90237242 1.28739613 3.59039674 4.45503393 1.74684088 1.37292217 1.36256841 3.48E-10 7.782E-10 1.74E-9 3.891E-9 8.6999999999E-9 1.945E-8 4.3499999999E-8 9.727E-8 2.1749999999E-7 4.864E-7 0.000001088 0.0000024319999999 0.0000054379999999 0.000012159999999 0.00002719 542-56-3 10958 144213180 Fns Isobutyl nitrite CC(C)CON=O Tox21_302863 -NCGC00253965-01 196719556 tox21-ror-cho-viability-p1 set3 4 -6.67925541 -10.57795437 -1.17987794 -2.25127227 -2.29270064 -0.04393608 3.2119633 -6.34021273 0.44815194 -15.60255187 3.17386171 1.21881216 -0.55912867 -16.48257729 -8.91043007 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 584-84-9 11443 144210480 FNS Toluene-2,4-diisocyanate O=C=N/c1cc(ccc1C)\N=C=O Tox21_300160 -NCGC00254711-01 196719565 tox21-ror-cho-viability-p1 set3 4 0.03002811 0.47747744 -0.03822809 -1.91784474 4.61017388 1.86510504 2.53433604 1.29001286 -1.5261647 0.509996 -0.58578696 1.5334346 3.19000509 3.34402477 2.03600713 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7287-19-6 4929 144211124 A A Prometryn CSc1nc(NC(C)C)nc(NC(C)C)n1 Tox21_300807 -NCGC00256590-01 196718558 tox21-ror-cho-viability-p1 set2 4 -0.35977936 0.79919463 2.21946454 2.2671581 1.89974069 4.14750967 -0.53115661 3.47271722 2.78413758 1.46606585 6.09505195 7.54582526 4.33491538 -0.31821212 1.33366903 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 61702-44-1 22584 144213224 F Fns 2-Chloro-1,4-diaminobenzene sulfate Nc1cc(Cl)c(N)cc1.O=S(=O)(O)O Tox21_302907 -NCGC00256912-01 196718144 tox21-ror-cho-viability-p1 set2 4 -1.73568084 -3.12551259 -1.3041495 0.15035798 -1.61908247 -0.77504999 -1.64282297 -0.83451883 -0.85641431 0.18234706 5.09941565 -1.54266433 -0.33222351 -1.44838466 0.32886425 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22629-49-8 90818 144212807 A I Tridec-2-enenitrile CCCCCCCCCCC=CC#N Tox21_302490 -NCGC00256527-01 196718546 tox21-ror-cho-viability-p1 set2 4 0.0216899429 4.5952269479 -2.5952269479 2 4.9549173134 0.4330392321 0.2435682435 -4.29183556 -0.76657105 0.09108104 -6.32935579 2.89969298 2.57584151 -0.07315742 1.2969621 -2.95377322 0.49254937 2.12090451 3.82581898 1.96780006 2.96556379 4.27602813 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-80-0 2206 144213343 A A Phenazone O=C2C=C(C)N(C)N2c1ccccc1 Tox21_303026 -NCGC00257085-01 196718549 tox21-ror-cho-viability-p1 set2 4 0.42031062 -1.07937902 2.48224771 1.25513607 0.61361731 0.28398467 -1.85383308 -2.06017183 2.97118432 1.5213584 9.37479847 2.8610347 -1.3227312 -2.06488612 -0.34974908 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009079 54827-17-7 41206 144213467 A A 3,3',5,5'-Tetramethylbenzidine Cc1cc(cc(C)c1N)c2cc(C)c(N)c(C)c2 Tox21_303150 -NCGC00257206-01 196718955 tox21-ror-cho-viability-p1 set2 4 0.55922991 1.07679448 -0.83633377 0.09993305 0.51486537 3.25314348 0.32466072 3.90933354 4.87993656 0.0736902 5.29000334 7.07898834 0.78309701 1.24731828 1.14659369 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-52-7 8192 144213541 Ac Fns 1-Chlorododecane CCCCCCCCCCCCCl Tox21_303224 -NCGC00256494-01 196718957 tox21-ror-cho-viability-p1 set2 4 0.56337945 1.6653134 -1.56216115 1.30113692 -0.56161214 4.07428397 -2.21286613 6.12626576 5.23373161 2.79465661 -0.14083626 -0.24648732 2.94049765 0.03605466 -1.2576789 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.7059999999E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.000043079999999 0.000096319999999 107-41-5 7870 144213135 A A 2-Methyl-2,4-pentanediol CC(O)CC(C)(C)O Tox21_302818 -NCGC00090910-03 196718961 tox21-ror-cho-viability-p1 set2 4 4.5353778561 6.5759111079 -1.0759111079 5.5 4.9549173134 0.4403941554 0.2515396433 0.03666291 0.04790581 2.84512545 2.66096445 -5.50715067 -3.26644395 -8.39659259 3.59472246 -2.83789462 -1.20724803 1.01507093 6.21224529 6.54120667 4.19948262 0.02656982 1.227E-9 2.7439999999E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008574 0.00001917 0.000042869999999 0.00009586 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00256821-01 196718967 tox21-ror-cho-viability-p1 set2 4 -1.0970446 3.83477359 -2.12230695 1.72934166 -0.49556686 5.02631851 0.5860565 4.73644587 5.22673422 3.01460083 7.09199612 3.20272119 -0.66338805 0.58865194 2.25210587 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 64275-73-6 5352837 144212919 A A (Z)-5-Octen-1-ol CC\C=C/CCCCO Tox21_302602 -NCGC00256820-01 196719395 tox21-ror-cho-viability-p1 set2 4 4.47059485 -0.23781531 2.45110366 -0.13539862 -2.05310079 7.02209095 -0.11072191 2.25456792 2.32506872 -0.05710397 2.96353925 4.55582356 2.28080503 2.10768836 -2.04376718 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-17-4 8167 144212889 A F Decyl acetate CC(=O)OCCCCCCCCCC Tox21_302572 -NCGC00257202-01 196719404 tox21-ror-cho-viability-p1 set2 4 0.08977242 0.28033303 -0.33299085 0.06937112 -0.43886562 4.17452098 2.1466221 6.60885683 3.32721107 3.64664955 2.97722105 2.4383694 -0.18124961 2.48158632 4.3291084 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 7481-89-2 24066 144213486 F A 2',3'-Dideoxycytidine NC1=NC(=O)N(C=C1)[C@H]2CC[C@@H](CO)O2 Tox21_303169 -NCGC00257077-01 196719410 tox21-ror-cho-viability-p1 set2 4 34.3762428541 -16.031662196 1.5 -14.531662196 0.7999999999 0.7195381339 0.0302151412 0.41017697 0.24665439 0.90771165 4.44832738 1.74810126 3.1144391 0.00270504 3.72753447 1.47176638 -0.50713412 -4.17641615 -4.39587509 0.28591512 -5.47265464 -12.94305183 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135-19-3 8663 144213355 A A 2-Naphthalenol Oc1ccc2ccccc2c1 Tox21_303038 -NCGC00256423-01 196719415 tox21-ror-cho-viability-p1 set2 4 3.53925261 6.689346584 -3.689346584 3 1.4641 0.6025701429 0.0963813377 -1.5792758 -7.65778882 -2.01102582 -1.69687303 -2.25199675 -6.28158726 -3.94296728 -2.12998086 -2.61624077 -4.476397 0.13121251 4.27595639 0.06645959 0.81186542 5.21061016 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.00001889 0.00004225 0.00009447 141-90-2 1269845 144213272 A A Thiouracil O=C1C=CNC(=S)N1 Tox21_302955 -NCGC00256571-01 196718583 tox21-ror-cho-viability-p1 set2 4 0.27149205 -0.18965457 1.10299995 3.45935588 0.28470694 9.21757506 0.35218076 3.11818871 8.81989955 0.49068614 10.88001875 0.59325051 3.58550245 6.0794359 0.47045761 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 115-02-6 5284344 144213209 Fns Azaserine OC(=O)[C@@H](N)COC(=O)/C=[N+]=[N-] Tox21_302892 -NCGC00257373-01 196718571 tox21-ror-cho-viability-p1 set2 4 -1.275125 -0.29879096 0.34505173 -1.48291515 -1.68730875 0.92038906 0.82788559 -0.28479818 0.5057218 -0.29416976 -0.24888192 5.8407318 2.38448535 6.00137221 -0.87702177 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 626-43-7 12281 144213874 A A 3,5-Dichloroaniline Nc1cc(Cl)cc(Cl)c1 Tox21_303569 -NCGC00260627-01 196703429 tox21-ror-cho-viability-p1 set1 4 3.68555486 0.87489172 2.57915949 2.64737439 2.8311924 2.49235855 2.66223553 5.89041964 1.55821287 -0.94509999 -1.33068699 0.61661866 1.17009906 1.22246158 4.7148166 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49523 144210280 M M NTP Mix103 ER1 10-EQC Tox21_203082 -NCGC00094532-06 196702619 tox21-ror-cho-viability-p1 set1 4 1.5621149203 -11.7712276519 -2 -13.7712276519 3.9899729863 0.3951183245 0.2761031289 -2.39382209 -8.24295798 -5.15674602 1.38699447 2.10067758 -1.29430968 -17.09636668 0.29557043 14.28431444 -11.96673185 -12.38111584 -9.28424511 -10.23738878 -20.64268971 -15.3471895 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00357230-01 196703023 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -19.610430216 1 -18.610430216 4.9549173134 0.6991998158 0.038696634 4.38771837 2.37970825 1.72944586 3.57295449 1.98219455 -0.17908006 -0.30606824 3.39974969 0.0650824 0.46459102 2.74137308 -6.94144137 -1.24228508 0.12231968 -15.09202518 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 719-59-5 12870 251919939 A 2-Amino-5-chlorobenzophenone Nc2ccc(Cl)cc2C(=O)c1ccccc1 Tox21_304017 -NCGC00260279-01 196703033 tox21-ror-cho-viability-p1 set1 4 -4.31484957 0.62858843 -4.77393412 2.22894632 -1.73507636 0.47303184 1.50040678 -2.16836429 -0.78852687 -5.17109083 -0.69059771 -3.43780704 -1.49925731 -4.00185298 -6.74136436 5.38E-11 1.203E-10 2.6899999999E-10 6.015E-10 1.345E-9 3.007E-9 6.7239999999E-9 1.5039999999E-8 3.3619999999E-8 7.5179999999E-8 1.681E-7 3.7589999999E-7 8.4059999999E-7 0.0000018799999999 0.000004203 2439-10-3 17110 144209929 Fns Dodine CC(=O)O.N=C(N)NCCCCCCCCCCCC Tox21_202731 -NCGC00357188-01 196703434 tox21-ror-cho-viability-p1 set1 -2.2 48.5577336745 -44.9166170876 1.27519897 -43.6414181176 2.7867712143 0.9146711406 0.0001442493 5.06010276 3.78093146 -1.14864404 2.96809246 -2.47938476 4.82311327 0.12193314 -2.45670979 5.26682157 -1.85051346 5.39845112 -4.29721136 0.20136563 -16.61304507 -36.84955918 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1100-88-5 70671 251919850 A Benzyltriphenylphosphonium chloride [Cl-].C(c1ccccc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4 Tox21_303954 -NCGC00357271-01 196703437 tox21-ror-cho-viability-p1 set1 4 19.3311819617 -17.1329161599 6.5 -10.6329161599 0.4 0.6020164086 0.0959578964 7.14461252 9.11186279 8.10103731 0.92334941 6.12998591 1.65976795 -0.07889162 9.00466507 3.03445655 -0.41292208 2.2035664 -0.44203442 2.09239988 -4.45427983 -7.1940968 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 596-03-2 11689 251919678 F 4',5'-Dibromofluorescein Brc4c5Oc1c(Br)c(O)ccc1C3(OC(=O)c2ccccc23)c5ccc4O Tox21_303911 -NCGC00259230-01 196703451 tox21-ror-cho-viability-p1 set1 -2.4 30.2954503929 -22.5573212 0 -22.5573212 1.59358881 0.8220421876 0.0048473443 -3.12527746 1.22531242 0.00983617 1.31270379 0.52042562 -5.69019317 -0.10679738 0.02884012 1.81928046 0.34015832 4.12833383 -3.18115653 -10.66655278 -9.69302872 -22.131101 1.1689999999E-9 2.614E-9 5.8459999999E-9 1.3069999999E-8 2.9229999999E-8 6.536E-8 1.461E-7 3.268E-7 7.3069999999E-7 0.0000016339999999 0.0000036539999999 0.00000817 0.00001827 0.00004085 0.00009134 82-28-0 6702 144208879 A A 1-Amino-2-methylanthraquinone O=C3c1ccccc1C(=O)c2c3ccc(C)c2N Tox21_201681 -NCGC00260564-01 196703844 tox21-ror-cho-viability-p1 set1 4 -11.94791054 -9.2187829 0 -4.30268673 -17.23366474 -8.15166357 -7.90247818 -14.98561815 6.27279949 -5.53543159 -0.18252681 -8.49507913 1.98712687 -12.64016503 0.62557386 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49460 144210217 M M NTP Mix72 CT1 62-EQP Tox21_203019 -NCGC00260671-01 196703858 tox21-ror-cho-viability-p1 set1 4 27.167235033 -15.197732776 -2 -17.197732776 2.2526478767 0.567020846 0.1382177553 -2.70752108 -1.09869234 -3.18683336 -3.11165199 -6.18537079 -0.95969574 -0.63107752 -2.73575266 -6.18630102 1.28700538 2.96760873 -5.91699466 -5.88896234 -13.08144398 -4.22813796 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.468E-7 3.2829999999E-7 7.3419999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.00001835 0.00004104 0.00009177 115-86-6 8289 144208709 A A Triphenyl phosphate O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3 Tox21_201511 -NCGC00257715-01 196701793 tox21-ror-cho-viability-p1 set1 4 0.95091313 1.29315184 -1.71112721 0.50879237 0.00052491 -1.52958562 1.64209085 3.85773905 6.4991203 1.05154648 2.88111917 1.94919816 -0.11873848 -0.23197288 -0.02614069 1.1989999999E-9 2.6809999999E-9 5.995E-9 1.3409999999E-8 2.998E-8 6.703E-8 1.4989999999E-7 3.352E-7 7.494E-7 0.000001676 0.000003747 0.0000083789999999 0.000018739999999 0.00004189 0.00009368 97-88-1 7354 144207359 AC B Butyl methacrylate CC(=C)C(=O)OCCCC Tox21_200161 -NCGC00091902-08 196701378 tox21-ror-cho-viability-p1 set1 4 19.3311819617 -26.057412396 -4 -30.057412396 0.5 0.6137465697 0.0872507842 1.50483829 -9.4226848 -9.3340718 -8.65784544 0.72902542 -3.77378256 -13.46453596 -9.76828178 -7.48229211 -9.6132477 -2.93128616 -14.91803369 -20.34147427 -21.71451033 -21.70139588 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00090910-03 196701382 tox21-ror-cho-viability-p1 set1 4 0.0255043039 4.227656264 -2.727656264 1.5 3.9294729863 0.4201850782 0.2562547738 -0.06401714 -2.69207361 -5.60638022 -1.97254822 -0.18996516 3.37162741 0.21215032 -3.42505277 2.81167235 4.70932828 1.41566493 0.31567087 0.1433763 4.54611338 1.78950046 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00255889-01 196701399 tox21-ror-cho-viability-p1 set1 4 2.39348447 3.37026854 1.03669502 0.14835993 3.38454867 5.46907673 4.48457304 7.25718148 -0.23705495 2.49547886 0.07485969 1.82681393 4.93620814 7.51140289 2.80267663 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 591-80-0 61138 144212386 Ac 4-Pentenoic acid C=CCCC(=O)O Tox21_302069 -NCGC00164164-02 196724764 tox21-ror-cho-viability-p1 set3 4 0.1219715124 6.279194484 -6.279194484 0 4.0949729863 0.4796847616 0.1979148326 -2.5125709 -3.16217022 -12.73266207 -2.37524878 -11.16200143 -3.96884097 -2.7639959 1.66197997 0.67338491 -1.52674466 -0.92485136 -0.37899525 -2.6097146 -0.41155352 3.06774085 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00260403-01 196724769 tox21-ror-cho-viability-p1 set3 4 5.5314817823 6.103779136 -5.603779136 0.5 3.5117481694 0.4122198434 0.2614297307 -11.75314928 -9.02585254 -4.6161614 -0.0271431 -6.41332704 0.05436952 -5.90306946 -4.66089792 -10.87776933 -3.99009777 -4.49825609 -0.61552788 2.39722998 -0.81961091 0.27663091 1.195E-9 2.672E-9 5.975E-9 1.336E-8 2.988E-8 6.6809999999E-8 1.494E-7 3.34E-7 7.469E-7 0.0000016699999999 0.000003735 0.000008351 0.00001867 0.00004175 0.00009336 620-14-4 12100 144210055 F Fns 3-Ethyltoluene Cc1cccc(CC)c1 Tox21_202857 -NCGC00091839-03 196725180 tox21-ror-cho-viability-p1 set3 -2.4 68.5896218971 -28.2859638119 -3.453610596 -31.7395744079 3.0654483358 0.8489699372 0.0023400206 -2.17208744 -1.0597332 -8.47553841 -4.65773113 -6.02601903 -2.57038454 -0.78742846 -3.69631159 -5.0696279 -4.11278235 -2.54298342 -0.37800883 -6.37021784 -7.45260784 -23.94964534 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00090766-07 196725182 tox21-ror-cho-viability-p1 set3 4 2.1131682429 11.4697546119 -1.9697546119 9.5 4.9549173134 0.6655394684 0.0553389921 -3.0556713 -4.67340859 -6.22479551 -2.80474824 -4.54724455 -0.56102018 -2.45574895 5.9723018 0.45895871 -0.88225916 -0.17613825 16.90950821 6.56943899 6.62622435 8.68642242 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53-03-2 5865 170464847 A Prednisone OCC(=O)[C@@]3(O)CC[C@H]2[C@@H]4CCC1=CC(=O)C=C[C@]1(C)[C@H]4C(=O)C[C@@]23C Tox21_111014_1 -NCGC00164548-02 196725183 tox21-ror-cho-viability-p1 set3 1.2 0.65104308 58.9751644678 -3.3706132839 55.6045511839 2.4063783767 0.9634846207 0.0000014708 -5.89430923 0 -0.41660478 -1.68858677 -1.82758829 -1.85818483 -4.24225106 -0.27606595 -6.97551107 -0.7695193 45.48528496 57.89394576 49.81177412 51.21168202 56.85183059 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 112398-08-0 71335 170466637 B Danofloxacin CN5C[C@@H]4C[C@H]5CN4c1cc2N(C=C(C(=O)O)C(=O)c2cc1F)C3CC3 Tox21_112177_1 -NCGC00185770-01 196725185 tox21-ror-cho-viability-p1 set3 4 -3.78985562 -3.61080108 -4.49196039 0.67329631 -11.15189088 5.08961727 3.05930151 -13.3952325 -3.28480363 2.88520586 0.74961667 -13.81769976 -0.64781623 1.73927731 2.99614319 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 74135-10-7 60196368 144207173 Sucrose octasulfate, sodium salt [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)O[C@H]1[C@H](O[C@H](COS([O-])=O)[C@@H](OS([O-])=O)[C@@H]1OS([O-])=O)O[C@]2(COS([O-])=O)O[C@H](COS([O-])=O)[C@@H](OS([O-])=O)[C@@H]2OS([O-])=O Tox21_113624 -NCGC00182985-01 196725591 tox21-ror-cho-viability-p1 set3 4 2.28256056 1.99132345 6.92095587 0.87681138 -1.52813954 -1.68480629 -1.69891173 -0.53531745 7.76626085 7.19424894 3.77116811 1.27027352 2.22203824 0.84768429 5.77379621 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7077-34-1 11499 144206882 F Fns Trolnitrate O=[N+]([O-])OCCN(CCO[N+]([O-])=O)CCO[N+]([O-])=O Tox21_113331 -NCGC00015234-19 196725594 tox21-ror-cho-viability-p1 set3 4 5.02385776 3.53661421 -0.32727316 -0.46147695 -0.87688374 1.73434693 0.75114041 -7.54343938 -1.86462993 0.93215534 7.26740775 0.25440156 0.68973356 3.61539478 3.10663915 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 298-46-4 2554 170464712 A Carbamazepine NC(=O)N2c3ccccc3C=Cc1ccccc12 Tox21_110104_1 -NCGC00273564-01 196725258 tox21-ror-cho-viability-p1 set3 4 -0.30774454 0.45315738 -7.79032969 -3.72724091 -7.24301538 0.37668196 -7.17031028 -0.3868376 -0.82151608 -6.25710859 -6.1595405 1.46603888 -3.71471445 0.82772788 -4.1132038 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56741-95-8 65457 170465913 A Bropirimine BrC1=C(NC(N)=NC1=O)c2ccccc2 Tox21_112665_1 -NCGC00260107-01 196724843 tox21-ror-cho-viability-p1 set3 4 26.6410986806 15.550718624 -1.050718624 14.5 2.3531167061 0.5230996209 0.1588581945 -7.54226552 -3.83075517 -2.68561403 -2.81365333 -1.22392945 0.60817349 1.50592518 6.38359833 -4.3199662 1.82527029 0.88935073 0.3872307 0.10381072 4.24681185 11.45130565 5.906E-10 1.3209999999E-9 2.9529999999E-9 6.603E-9 1.476E-8 3.3009999999E-8 7.382E-8 1.651E-7 3.691E-7 8.253E-7 0.000001846 0.000004127 0.0000092279999999 0.000020629999999 0.000046139999999 142-91-6 8907 144209756 F Fns Hexadecanoic acid, 1-methylethyl ester CC(C)OC(=O)CCCCCCCCCCCCCCC Tox21_202558 -NCGC00254809-01 196720805 tox21-ror-cho-viability-p1 set3 -1.2 15.3553036427 -46.2658019829 1.8592722229 -44.40652976 2.2526478767 0.9612953883 0.0000020394 7.47578074 -3.39087413 -0.01115396 1.56489339 2.83263305 1.5283083 6.30884957 3.75721776 -0.42590646 -3.593722 3.17761229 -5.55256249 -27.52507872 -36.98476656 -45.3387748 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-30-2 6931 144211222 A A 3-Trifluoromethyl-4-nitrophenol O=[N+]([O-])c1ccc(O)cc1C(F)(F)F Tox21_300905 -NCGC00254906-01 196720809 tox21-ror-cho-viability-p1 set3 4 0.0034376243 14.780482788 -17.278867916 -2.498385128 0.3 0.534474946 0.1500676718 -10.47628187 -13.98238993 -5.21361884 -7.19796143 -9.72367327 -7.96888379 -2.48366868 -7.80821611 -3.80559751 -8.42228947 -4.11709157 -1.66532094 -2.13748829 -4.1168386 -3.88569584 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4658-28-0 3032472 144211321 A A Aziprotryne CSc1nc(/N=[N+]=[N-])nc(NC(C)C)n1 Tox21_301004 -NCGC00091351-03 196720811 tox21-ror-cho-viability-p1 set3 4 0.0015997746 15.0992829239 -14.5992829239 0.5 0.3 0.4679043924 0.2096841851 -6.44262627 -11.33273577 -3.33645504 -1.73077529 -2.15799843 -3.90178204 -4.3280819 -1.20645001 0.24507146 -4.80132332 -5.20429118 2.2717162 0.73424191 -0.57682056 1.33569954 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00259381-01 196721203 tox21-ror-cho-viability-p1 set3 4 27.0285678219 9.0117163159 -4.5117163159 4.5 4.9549173134 0.8382316357 0.0032611521 -5.39799642 -7.09309693 -5.26959573 -6.13088138 -1.99285991 -4.50897912 -4.65648094 -4.71224782 -3.55711163 -2.44690991 -3.84403896 -4.04790212 -3.77636927 3.32257278 4.3288711 1.1699999999E-9 2.617E-9 5.851E-9 1.3079999999E-8 2.926E-8 6.542E-8 1.463E-7 3.271E-7 7.314E-7 0.0000016359999999 0.000003657 0.000008178 0.00001829 0.000040889999999 0.00009143 93-58-3 7150 144209030 A A Methyl benzoate COC(=O)c1ccccc1 Tox21_201832 -NCGC00259807-01 196721211 tox21-ror-cho-viability-p1 set3 4 2.32111863 7.46119459 -6.14898232 -4.70417133 1.62200385 3.54322249 -0.88471354 3.21924602 1.57975711 3.53303567 3.17473266 2.4917977 1.46794669 4.55605779 5.2229907 1.206E-9 2.697E-9 6.0309999999E-9 1.349E-8 3.016E-8 6.743E-8 1.5079999999E-7 3.371E-7 7.539E-7 0.0000016859999999 0.000003769 0.000008429 0.00001885 0.00004214 0.000094239999999 25340-17-4 8657 144209456 AC Fc Diethylbenzene CCc1ccccc1CC Tox21_202258 -NCGC00259145-01 196721216 tox21-ror-cho-viability-p1 set3 4 21.6899429044 11.7607982159 -7.2607982159 4.5 2.3031167061 0.3692781599 0.3015272365 -11.12760962 -3.8497637 -8.42583142 3.46698162 -4.46448053 -16.05066518 -9.346108 -10.13892778 -11.17238954 1.00352245 -9.97442821 -6.61125459 -1.58367402 1.52114269 4.3081068 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 99-63-8 7451 144208794 D 1,3-Benzenedicarbonyl dichloride O=C(Cl)c1cccc(c1)C(Cl)=O Tox21_201596 -NCGC00164168-02 196720010 tox21-ror-cho-viability-p1 set3 4 0.0723028959 -9.049458256 9 -0.049458256 4.9549173134 0.4542911538 0.2204098395 3.57514585 17.75749116 6.33327872 4.93396032 11.33977962 5.01724353 -1.96304424 -2.54075849 -0.78190241 7.02859444 3.99070467 -3.0497358 6.12916386 -3.1106481 -5.45788188 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00090910-03 196719575 tox21-ror-cho-viability-p1 set3 4 0.0143421241 8.5512364679 -9.0512364679 -0.5 0.8999999999 0.507835758 0.172949092 -5.81063368 -12.12603039 -5.07795453 -1.51164017 -5.16476196 -3.39355472 -3.46347925 2.19340074 1.09597343 -2.23610727 -1.55950885 2.68964487 -4.14343978 -2.96090921 1.39466486 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00090773-04 196719596 tox21-ror-cho-viability-p1 set3 4 22.0654597388 -10.6802937999 4 -6.6802937999 1.752947691 0.4612965764 0.2146041197 4.67360392 4.24499727 2.92798576 -0.58614906 -1.49646836 4.94604541 3.32125955 10.5125018 1.02237783 10.52765096 4.93581238 -0.75790871 1.12422479 -4.58184387 -5.5669115 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00254336-01 196719597 tox21-ror-cho-viability-p1 set3 4 5.4482673282 19.8722894759 -11.8722894759 8 0.4 0.7159614139 0.0314466929 -12.03976726 -10.85334798 -7.64333906 -16.56024123 -5.56881402 -11.58309957 -5.58917185 -6.18146858 -7.14337169 -0.17063583 -9.17877891 -1.36553939 0.876078 2.93641855 4.3285164 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-82-1 13 144210880 AC Ac 1,2,4-Trichlorobenzene Clc1cc(Cl)c(Cl)cc1 Tox21_300563 -NCGC00254249-01 196720012 tox21-ror-cho-viability-p1 set3 4 0.0096786897 10.168128956 -12.60263038 -2.434501424 0.7 0.6280219605 0.0786817414 -9.62371859 -12.16885865 -6.98150199 -3.92176851 -9.35532371 -7.01424358 -1.69555298 -0.72495277 -1.99785463 -1.1317821 -3.27549296 -5.59330579 -0.36208452 -4.27197306 -1.42784371 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 3825-26-1 2776282 144210912 PFOA, ammonium salt [NH4+].FC(F)(C(F)(F)C([O-])=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300595 -NCGC00254957-01 196720666 tox21-ror-cho-viability-p1 set3 4 5.4482673282 5.8405149519 -2.8405149519 3 4.9549173134 0.6046870857 0.1096030893 -2.25336384 -2.48716989 -2.48702412 -2.05551348 -6.53376246 -1.64016268 -1.81508655 -0.40868603 -5.17327277 -1.71179481 -4.92300718 4.43894037 1.5079941 2.27215387 -0.31635649 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 489-01-0 10269 144211372 A Ac 2,6-Di-tert-butyl-4-methoxyphenol CC(C)(C)c1cc(cc(c1O)C(C)(C)C)OC Tox21_301055 -NCGC00254553-01 196720651 tox21-ror-cho-viability-p1 set3 1.4 0.3857077887 24 2 26 0.5 0.8841933328 0.0011363249 3.31135665 1.55555936 8.30059287 4.6866483 7.86796005 4.88353022 12.68407793 15.32256658 19.00236739 14.53823706 18.38568057 25.53528734 19.5709834 25.44271532 12.8971095 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68359-37-5 104926 144210962 C Cyfluthrin Cl\C(Cl)=C/C3C(C(=O)OC(C#N)c2ccc(F)c(Oc1ccccc1)c2)C3(C)C Tox21_300645 -NCGC00253975-01 196720654 tox21-ror-cho-viability-p1 set3 4 -4.87963235 -5.83456744 0.98623271 0.98454156 -1.39260262 -0.73499564 3.69020953 2.77563061 3.30268672 2.77291168 -4.41873231 -6.175829 2.09233215 -8.79811088 -3.78767019 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 56-81-5 753 144210464 A Glycerol OCC(O)CO Tox21_300144 -NCGC00254136-01 196720657 tox21-ror-cho-viability-p1 set3 -3 65.6705592119 -109.1398635578 6.2130771006 -102.9267864572 4.9549173134 0.9398430874 0.0000229033 10.84208561 8.36176322 3.41459488 5.44999262 0.34300362 19.9362814 3.83804461 -3.16997305 8.78770224 6.11558001 6.255576 -0.04451393 1.38346906 5.00496137 -83.61500361 1.1379999999E-9 2.546E-9 5.692E-9 1.2729999999E-8 2.8459999999E-8 6.3639999999E-8 1.423E-7 3.182E-7 7.115E-7 0.0000015909999999 0.0000035579999999 0.000007955 0.000017789999999 0.00003978 0.00008894 143-50-0 299 144210418 Kepone O=C2C1(Cl)C3(Cl)C5(Cl)C1(Cl)C4(Cl)C2(Cl)C3(Cl)C4(Cl)C5(Cl)Cl Tox21_300098 -NCGC00163927-04 196721053 tox21-ror-cho-viability-p1 set3 4 -6.76015476 -2.45951011 -6.42540807 4.34775069 -4.10716776 -6.07147916 -6.16207683 -5.69334152 -7.39641487 -4.62771217 -5.08804468 -6.79080171 -4.93722538 -4.56652002 -4.00356111 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00259352-01 196721061 tox21-ror-cho-viability-p1 set3 4 24.9068469976 7.2709005719 -4.2709005719 3 4.9549173134 0.644245117 0.0687902035 -7.30908381 -3.96250967 -5.27523282 1.26850191 -5.25490535 -4.47040213 -3.40384742 -5.46060749 -4.84267723 -3.61232266 -5.06681991 -4.6303091 -3.03048049 4.27702642 1.71878447 1.203E-9 2.6889999999E-9 6.013E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.361E-7 7.516E-7 0.0000016809999999 0.000003758 0.000008403 0.000018789999999 0.00004202 0.00009395 107-98-2 7900 144209001 A A 1-Methoxy-2-propanol CC(O)COC Tox21_201803 -NCGC00258839-01 196721074 tox21-ror-cho-viability-p1 set3 4 0.0019429518 36.018967776 -38.518967776 -2.5 0.9999999999 0.6155817653 0.0858826118 -28.76580648 -17.35303582 -10.10507851 2.57343778 -13.58561914 -5.82080499 -4.99186749 -6.52811602 -1.99046612 -1.30128473 -3.23536374 -10.07889686 -6.34555835 8.89129406 2.51134664 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.961E-8 6.622E-8 1.481E-7 3.311E-7 7.4029999999E-7 0.000001655 0.000003702 0.0000082769999999 0.00001851 0.00004138 0.00009254 929-06-6 13578 144208485 A B 2-(2-Aminoethoxy)ethanol NCCOCCO Tox21_201287 -NCGC00254490-01 196719854 tox21-ror-cho-viability-p1 set3 4 6.18097993 -5.91227882 6.48822631 1.5101611 10.90955031 7.12139435 7.39410131 11.62537716 -1.00017546 6.56766094 12.36324281 6.99751821 -2.41951863 9.42313111 1.75693853 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-50-5 8190 144210687 A 2-[2-(2-Ethoxyethoxy)ethoxy]ethanol OCCOCCOCCOCC Tox21_300369 -NCGC00254621-01 196719835 tox21-ror-cho-viability-p1 set3 4 0.0048508357 12.026646296 -13.526646296 -1.5 4.9549173134 0.8375562194 0.0032706628 -12.89729431 -13.35553858 -5.10782428 -0.03381316 -3.16950201 -5.99088812 0.98593288 -1.68175903 -0.28805524 0.22811907 -1.82748164 -2.47639542 1.08487334 -1.23498267 -2.8228409 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 2164-17-2 16562 144211032 A A Fluometuron O=C(Nc1cc(ccc1)C(F)(F)F)N(C)C Tox21_300715 -NCGC00254606-01 196719841 tox21-ror-cho-viability-p1 set3 4 -6.72002707 -7.88395254 -2.35221208 1.21612173 -1.33031131 -3.30015487 -4.98486489 -27.48178527 2.10595813 -27.26548159 -11.43221269 -23.20681928 -4.16308705 -16.0555468 -2.14031347 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 129630-19-9 182951 144211015 A A Pyraflufen-ethyl Cn2nc(c1cc(OCC(=O)OCC)c(Cl)cc1F)c(Cl)c2OC(F)F Tox21_300698 -NCGC00090874-04 196719846 tox21-ror-cho-viability-p1 set3 -3 15.5428804468 -60.979129464 -2.886236364 -63.865365828 3.0654483358 0.852441515 0.005056697 0 -12.82876025 -2.98580796 0.47951074 -5.72588529 -7.02205352 -3.64787661 0.46274834 -0.75073213 -0.16815119 -3.95203139 -1.20440695 -48.3828529 -5.25384826 -2.86136588 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00254652-01 196720262 tox21-ror-cho-viability-p1 set3 2.4 3.4376242854 21.324532304 -11.324532304 10 0.2 0.6862831559 0.0449622477 -11.10377692 -8.91036982 -3.54459347 -3.15244261 -5.13827273 -4.74410873 -2.85393244 -2.95076106 -1.03824556 -1.22232498 -4.12605158 -1.33408744 -0.22755821 0.01512679 7.15450527 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-74-6 7204 144211063 A A MCPA Clc1cc(C)c(OCC(=O)O)cc1 Tox21_300746 -NCGC00163930-04 196704682 tox21-ror-cho-viability-p1 set1 4 5.9204406 0.18802178 0.11167272 -0.39445496 1.27478234 4.36824143 0.75669005 2.21509919 1.59561076 -0.46562834 1.77254436 0.01247315 0.29992244 0.73764704 0.5792623 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00247690-01 196704285 tox21-ror-cho-viability-p1 set1 4 1.87290876 1.1117477 0.93813994 -3.34760165 0.4254277 -5.40651538 -4.8302651 -4.18914693 -5.14869448 1.15637716 -4.29362606 2.44137511 -1.82153054 2.3170262 -4.08466847 1.344E-9 3.0059999999E-9 6.721E-9 1.503E-8 3.361E-8 7.515E-8 1.68E-7 3.7569999999E-7 8.4019999999E-7 0.000001879 0.0000042009999999 0.000009394 0.000021 0.00004697 0.00010499999999 50505-91-4 60196319 144206393 A A (+)-2,5-Dimethoxy-4-ethylamphetamine hydrochloride Cl.COc1cc(CC)c(cc1C[C@H](C)N)OC Tox21_112840 -NCGC00163319-03 196704679 tox21-ror-cho-viability-p1 set1 4 0.41115143 1.69825555 1.17704374 3.17343741 -1.26376151 5.11414199 -1.13351245 2.2562107 0.397708 2.66269772 -1.07724747 1.40838167 2.34264908 1.174101 0.21577373 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61-19-8 6083 170466132 A Adenosine-5-phosphate O=P(O)(O)OC[C@H]3O[C@@H](n2cnc1c(N)ncnc12)[C@H](O)[C@@H]3O Tox21_112046_1 -NCGC00094937-04 196704678 tox21-ror-cho-viability-p1 set1 4 -3.25160777 -3.53169336 0.85017049 0.54819906 1.93085715 0.08439658 0.04848297 -3.92385551 2.48671504 0.40760005 3.80032783 4.91034511 3.36563256 1.85829603 0.91775086 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53716-49-7 2581 170464799 A Carprofen O=C(O)C(C)c1ccc2c3cc(Cl)ccc3nc2c1 Tox21_111363_1 -NCGC00164501-02 196704686 tox21-ror-cho-viability-p1 set1 -3 33.4914596268 -42.104302813 0.8727337474 -41.2315690656 4.9549173134 0.929870219 0.000051999 0.35786912 0.32358881 -3.33459604 1.28321477 0.43484462 0.65202025 -0.22551229 0.0389274 6.37728201 -1.83026355 -0.48527885 4.68503441 3.45912283 0.46262144 -36.16804304 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67-28-7 9561033 170466613 D Nihydrazone O=[N+]([O-])c1ccc(/C=N/NC(C)=O)o1 Tox21_112139_1 -NCGC00159392-05 196704691 tox21-ror-cho-viability-p1 set1 4 0.02764351 1.30659524 -0.31707951 0.68427129 4.22048799 -0.11667834 1.3097829 7.14455654 5.07253322 2.90653542 5.00306579 4.07286051 0.6562467 3.47157522 0.99619776 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-15-8 5977 170465458 F 1,1,1-Trichloro-2-methyl-2-propanol ClC(Cl)(Cl)C(C)(C)O Tox21_111629_1 -NCGC00163169-05 196704697 tox21-ror-cho-viability-p1 set1 4 9.4391758155 -8.340798568 1 -7.340798568 3.9899729863 0.8343268994 0.0036376785 -2.05435124 0.44031595 0.07204937 1.2571491 0.27795278 1.98608303 0.67278263 1.46962642 3.60377148 0.79804665 -0.25284174 0.50687207 -3.05062986 -7.36733214 -6.57052589 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15574-96-6 27400 170466311 A Pizotifen CN1CC/C(CC1)=C3\c4ccccc4CCc2sccc23 Tox21_112024_1 -NCGC00016401-09 196704701 tox21-ror-cho-viability-p1 set1 4 0.53719348 -3.44984439 0.40662673 1.74778209 0.04660345 0.71314752 -1.23125865 -3.35610405 -1.62708069 -0.6514644 0.92259424 -3.48657829 -2.67099045 1.70659869 -3.29560015 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 135-09-1 3647 170465082 A Hydroflumethiazide FC(F)(F)c1cc2NCNS(=O)(=O)c2cc1S(N)(=O)=O Tox21_110422_1 -NCGC00091253-05 196705099 tox21-ror-cho-viability-p1 set1 4 52.8247449067 8.9317374521 0.0682625479 9 3.5117481694 0.3646961376 0.3083241495 -2.82837294 -1.68932807 -2.34104487 1.83233184 3.04256812 -5.35978121 2.150476 4.62036998 0.97503984 -3.57486863 1.54551618 2.89505981 -1.06803664 2.78955347 7.91969957 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00260393-01 196703047 tox21-ror-cho-viability-p1 set1 4 -13.27379597 -1.44744812 -0.26387345 -1.47388166 -15.58305722 -13.20451652 -3.47757532 -17.60259557 3.00615926 -11.62743726 3.34752419 -14.81832835 -12.92453213 -12.71909182 -0.31208246 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.679E-8 1.494E-7 3.34E-7 7.468E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004175 0.000093349999999 56-18-8 5942 144210045 Z Z Iminobis-3-propylamine NCCCNCCCN Tox21_202847 -NCGC00257888-01 196702647 tox21-ror-cho-viability-p1 set1 4 6.1441529811 -15.954144656 -4.045169648 -19.999314304 0.2 0.3470783433 0.3406104101 -10.93357298 -8.09233969 -6.03482572 -8.6288732 -9.12583773 -1.70430804 -7.08869302 -10.8454771 -5.57485295 -12.97431196 -13.6490246 -12.73941393 -15.83276192 -11.68485423 -9.48112093 1.185E-9 2.6499999999E-9 5.927E-9 1.325E-8 2.9629999999E-8 6.626E-8 1.482E-7 3.3129999999E-7 7.408E-7 0.000001657 0.000003704 0.0000082829999999 0.00001852 0.000041409999999 0.000092599999999 591-17-3 11560 144207532 AC A 3-Bromotoluene Cc1cc(Br)ccc1 Tox21_200334 -NCGC00163903-03 196703041 tox21-ror-cho-viability-p1 set1 4 -0.36503872 0.42014249 -0.1870078 1.22795362 -0.4873348 -3.7315386 -2.37739943 0.97736131 -6.90204477 -2.15598461 -2.4893442 -0.59833866 1.23005095 -3.38070624 -0.11115018 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00357083-01 196703044 tox21-ror-cho-viability-p1 set1 4 13.6854287769 -14.963169904 -1 -15.963169904 0.5 0.5289725717 0.1704319042 -0.52747002 -1.5264544 -4.60636271 -0.82015846 -1.29713872 0.19448733 -1.48909388 -0.89894026 -11.63597492 -5.25191697 -2.93955092 -4.27933366 -11.47636386 -10.7809191 -0.26285681 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6175-45-7 22555 251919922 A 2,2-Diethoxyacetophenone O=C(C(OCC)OCC)c1ccccc1 Tox21_303796 -NCGC00256409-01 196726852 tox21-ror-cho-viability-p1 set3 4 -0.67505989 -2.00986104 0.16866609 1.85917464 0.93811646 1.25945588 1.767592 1.59261276 0.14495452 -14.08507472 0 -2.84413764 -0.08990716 3.73494355 0.5060013 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-00-1 67174 144213310 A A Diphenolic acid Oc1ccc(cc1)C(C)(CCC(=O)O)c2ccc(O)cc2 Tox21_302993 -NCGC00256365-01 196726425 tox21-ror-cho-viability-p1 set3 4 0.0016785492 13.5386316039 -14.0386316039 -0.5 4.9549173134 0.848775431 0.0023613176 -14.19885967 -12.85031619 1.58098978 1.3001805 0 -4.1397741 0 -1.43982572 -0.79830976 -1.90521855 0 1.2447028 -3.36403049 0.47580909 2.30341543 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 814-80-2 13144 144213213 Ac Calcium lactate [Ca+2].CC(O)C([O-])=O.[O-]C(=O)C(C)O Tox21_302896 -NCGC00257296-01 196726831 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -39.655385796 -0.5 -40.155385796 4.9549173134 0.8418078296 0.0028696109 2.09921006 -12.66677396 0 0 -1.30500938 0 0 0 0 0 0 1.2240195 0.08938196 0.97559686 -33.04615483 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149413-74-1 10159191 144213784 A A FR150011 O=C(O)Cc4ccccc4COc1cc2cc(oc2cc1)c3nc(cs3)C(C)(C)C Tox21_303474 -NCGC00256639-01 196726846 tox21-ror-cho-viability-p1 set3 4 -3.46705535 -5.99314697 -2.22302196 3.45104708 -3.85073982 -5.48470001 -2.70453449 -0.80105395 0.34445777 -24.0092287 0 0.67400982 1.8394511 -0.70418041 -0.12254446 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 697-82-5 12769 144213033 A F 2,3,5-Trimethylphenol Cc1cc(C)cc(O)c1C Tox21_302716 -NCGC00257285-01 196726853 tox21-ror-cho-viability-p1 set3 4 -3.68195281 -1.20984898 -1.16493427 -4.3551867 -3.49846039 -3.60388209 -4.48349242 -8.2996818 -22.25594517 -25.37817621 -1.76139217 -3.84771925 -4.93974034 -3.54766011 0.2954738 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24549-06-2 32485 144213857 A Fc 2-Ethyl-6-methylaniline CCc1cccc(C)c1N Tox21_303552 -NCGC00257442-01 196727246 tox21-ror-cho-viability-p1 set3 4 4.8557733675 5.51369598 -4.01369598 1.5 4.9549173134 0.3558834245 0.3157014954 0.86596783 4.00402368 -6.79738203 -6.58880869 -3.68369239 -6.95101338 -9.59474665 -2.4000125 -4.10500286 -4.8078138 -4.53346854 4.31121277 1.36684259 0.11294046 0.50712671 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-19-6 31289 144213908 F Fns Nonanal CCCCCCCCC=O Tox21_303603 -NCGC00256996-01 196727250 tox21-ror-cho-viability-p1 set3 4 -0.8090039 -7.49992396 -0.68062546 0 0 0 0 0 0 0 0 -3.34487171 -6.36315399 -1.8352741 0.5867936 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 1760-24-3 15659 144213545 F Fns N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine CO[Si](CCCNCCN)(OC)OC Tox21_303228 -NCGC00256342-01 196726911 tox21-ror-cho-viability-p1 set3 4 -1.89712941 -1.19722683 -3.55581552 1.02137088 -1.56132131 -3.07326419 -7.57692104 -12.88733527 0 0 -0.19545069 -0.47917026 1.0045939 -1.50779045 1.23711748 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.891E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003852 0.000008614 0.00001926 0.00004307 0.00009631 2489-77-2 2779938 144213170 A A 1,1,3-Trimethyl-2-thiourea CN(C)C(=S)NC Tox21_302853 -NCGC00016599-04 196726090 tox21-ror-cho-viability-p1 set3 4 0.3757803576 -23.66193696 6 -17.66193696 4.9549173134 0.8764334137 0.0009076834 2.53302399 0.35337034 4.30631418 4.56870479 7.97416452 -0.00100726 10.87936288 17.29598271 -5.00513606 -16.34062536 -17.73416866 -16.08164635 -22.2182808 -17.9571923 -16.84828862 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2022-85-7 3366 170465407 Z Flucytosine FC1=CNC(=O)N=C1N Tox21_110515_1 -NCGC00256783-01 196726501 tox21-ror-cho-viability-p1 set3 4 3.26265848 1.03597839 0.20421147 3.51114465 3.25416854 0.89452016 -0.16310082 -0.80861883 -1.40570026 0.16171789 2.26713089 -0.81022071 1.92852956 2.9061157 1.71717423 1.109E-9 2.4799999999E-9 5.5449999999E-9 1.2399999999E-8 2.772E-8 6.199E-8 1.3859999999E-7 3.1E-7 6.931E-7 0.00000155 0.000003465 0.000007749 0.00001733 0.00003875 0.00008664 2392-39-4 16961 144212903 A F Dexamethasone sodium phosphate [Na+].[Na+].[O-]P([O-])(=O)OCC(=O)[C@@]4(O)[C@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_302586 -NCGC00256656-01 196726511 tox21-ror-cho-viability-p1 set3 4 -1.479112 -5.22710785 -2.25395233 -5.04864348 -2.06810237 -2.25419562 1.66573758 -10.30503105 -3.58776122 -7.82936257 -1.81416019 2.55576091 -0.59021622 -3.1181411 -3.11415528 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68610-51-5 144213021 M M Poly(dicyclopentadiene-co-p-cresol) Tox21_302704 -NCGC00256557-01 196726915 tox21-ror-cho-viability-p1 set3 4 1.10377691 -1.85592871 -0.24163812 -0.44552058 -9.93983021 0.87247844 -1.50634008 2.01517442 -1.57029162 -1.28983091 0.74662644 7.99726063 -0.16263022 -0.840601 1.17753368 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-24-2 7290 144213276 A A 3-Chloro-1,2-propanediol OCC(O)CCl Tox21_302959 -NCGC00257342-01 196726928 tox21-ror-cho-viability-p1 set3 -2.1 42.6127091962 -84.909849401 -0.4369974369 -85.3468468379 3.9294729863 0.995152388 0 -2.38090634 1.46180476 -0.62666717 -0.7842616 0.0523289 -1.44445855 0.50431058 -2.17750781 2.21327222 -1.68594655 -0.99418252 1.43521468 -0.3793452 -23.5641025 -77.15670215 9.615E-10 2.15E-9 4.807E-9 1.0749999999E-8 2.404E-8 5.3749999999E-8 1.202E-7 2.6869999999E-7 6.0089999999E-7 0.000001344 0.0000030049999999 0.000006719 0.000015019999999 0.00003359 0.00007512 825643-57-0 60196441 144213906 A PharmaGSID_48513 FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(C)(C)C(=O)N(C)c2cnc(cc2c3ccc(F)cc3C)N4CC[C@@H](O)[C@H]4CO Tox21_303601 -NCGC00262966-01 196722852 tox21-ror-cho-viability-p1 set3 4 0.5308038637 6.35779138 -1.85779138 4.5 3.1319983358 0.4924863195 0.1861088837 3.74175155 -1.53304322 -1.40571092 -3.98553906 -3.09458396 -1.80961215 -2.674339 -1.42420904 -4.46482615 7.64678085 0.32564154 9.34678282 5.60275121 -0.23053476 5.42951264 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103775-14-0 55331 170466490 B F Moexiprilat O=C(O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2Cc3cc(OC)c(OC)cc3C[C@H]2C(=O)O Tox21_113957 -NCGC00159392-05 196722449 tox21-ror-cho-viability-p1 set3 4 -3.05693001 0.81389823 -1.3414569 3.48562179 -0.09292861 0.85712136 0.89304615 0.62409169 1.50521363 -16.16785345 2.03733644 -14.83883512 -3.54336237 6.11545541 2.33869404 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-15-8 5977 170465458 F 1,1,1-Trichloro-2-methyl-2-propanol ClC(Cl)(Cl)C(C)(C)O Tox21_111629_1 -NCGC00162116-04 196722859 tox21-ror-cho-viability-p1 set3 4 -3.36806191 -2.77929254 -1.46005227 -20.337066 3.72940977 1.41113018 5.01170945 -0.95203537 -0.74890754 -1.83463435 -2.52037179 -5.71508137 -6.69515497 -1.00364185 7.11544963 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 24356-60-3 23675312 170465306 B Cephapirin sodium [Na+].[O-]C(=O)C=2N3C(=O)[C@@H](NC(=O)CSc1ccncc1)[C@H]3SCC=2COC(C)=O Tox21_110772_1 -NCGC00178127-02 196722862 tox21-ror-cho-viability-p1 set3 4 0.1883363179 -6.6885027959 1.5 -5.1885027959 4.9549173134 0.4796908944 0.2144833113 0.34395004 0.12626231 7.12808921 -0.31775863 0.80850068 1.7022641 0.9721759 1.07316602 -13.07375233 -4.99203992 -5.24784588 0.56774771 -6.35528019 -1.6183969 5.23507336 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87333-19-5 5362129 170464731 A Ramipril O=C(OCC)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2[C@@H](C[C@@H]3CCC[C@H]23)C(=O)O Tox21_110708_1 -NCGC00166413-02 196722868 tox21-ror-cho-viability-p1 set3 4 0.4730794415 -7.0648497599 0.5 -6.5648497599 1.826479391 0.749014118 0.0260638449 -0.96031391 -0.81421942 -0.82574666 4.63367568 -0.35068765 -0.1586242 0.09561829 0.90924289 -1.70352914 -6.26010594 -4.27360362 -5.04420884 -9.6373748 -5.8266857 11.12170278 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 74863-84-6 152951 170464871 A Argatroban C[C@H]1C[C@H](C(=O)O)N(CC1)C(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c3cccc2C[C@@H](C)CNc23 Tox21_112218_1 -NCGC00159415-04 196722473 tox21-ror-cho-viability-p1 set3 4 0.16785492 12.507282024 -4.507282024 8 1.98874246 0.579398755 0.1120997122 3.91544484 0.75646985 -1.60197565 -16.67273502 -11.10710789 -4.38025384 0 0 6.34948575 7.47659815 8.899896 9.59698391 4.27329968 4.19547556 12.04066771 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72-63-9 6300 170466069 A Methandrostenolone O=C3C=C4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@]1(C)O)[C@@]4(C)C=C3 Tox21_111647_1 -NCGC00259462-01 196722059 tox21-ror-cho-viability-p1 set3 4 15.2928625827 -20.556131656 7.5 -13.056131656 1.8851180601 0.837881535 0.0032080966 13.39842524 5.84427094 9.05261207 1.89428199 6.27860762 8.62688684 6.52333466 8.59439378 7.21043961 5.01295852 10.33575399 2.9554441 -7.79457573 -5.99350773 -15.04677638 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.315E-8 2.94E-8 6.573E-8 1.4699999999E-7 3.2869999999E-7 7.3489999999E-7 0.000001643 0.000003674 0.0000082159999999 0.00001837 0.00004108 0.000091859999999 32809-16-8 36242 144209111 A A Procymidone Clc1cc(cc(Cl)c1)N2C(=O)C3(C)CC3(C)C2=O Tox21_201913 -NCGC00258950-01 196722065 tox21-ror-cho-viability-p1 set3 4 -5.00052339 -0.95876713 -5.08425899 3.60395076 -6.78214972 -8.96333697 -6.4039973 -6.68963742 -5.72042289 -3.81322149 -2.56507209 -5.52811653 -4.71320341 -1.29923496 -0.48323856 1.179E-9 2.6359999999E-9 5.8929999999E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.294E-7 7.367E-7 0.0000016469999999 0.0000036829999999 0.000008236 0.00001842 0.000041179999999 0.00009208 104-66-5 7713 144208597 A A 1,2-Diphenoxyethane C(COc1ccccc1)Oc2ccccc2 Tox21_201399 -NCGC00263547-01 196722464 tox21-ror-cho-viability-p1 set3 4 0.3349145963 7.387519984 0.112480016 7.5 4.4494702849 0.6829172541 0.0564625929 2.27943234 1.05048194 0.4719338 1.41194054 -1.57293332 0.0246561 -1.29234975 -0.47467429 4.82502341 7.37907381 7.63657088 9.66089403 11.84716766 1.11363886 2.65615523 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 121288-39-9 60737 170466599 B Loxoribine NC3=NC2=C(N(CC=C)C(=O)N2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(=O)N3 Tox21_112592_1 -NCGC00013895-08 196722474 tox21-ror-cho-viability-p1 set3 4 37.5780357627 10.8020528359 -0.8020528359 10 4.9549173134 0.3894710159 0.2842466382 -1.68991498 -8.58504403 -0.56382365 0.71138864 -2.06870462 -0.80311105 -2.27333951 -0.57879278 2.25935851 0.26611842 3.64226505 1.06075599 -3.49866354 -1.66675497 7.79580362 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3562-84-3 2333 170465792 A Benzbromarone Brc1cc(cc(Br)c1O)C(=O)c2c3ccccc3oc2CC Tox21_110041_1 -NCGC00095157-05 196722880 tox21-ror-cho-viability-p1 set3 -2.2 33.4914596268 -68.4364975414 -3.069151865 -71.5056494064 2.3331733767 0.8835448865 0.00068175 1.52057213 0.09369889 0.98934592 0.49940303 0.58180022 -0.95491618 -2.1517561 -0.76395461 -5.2465435 -10.38715733 -6.53767758 -6.83972611 -16.05357541 -13.46867368 -54.17094652 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53716-50-0 40854 170466223 F Oxfendazole O=C(OC)Nc1nc2cc(ccc2n1)S(=O)c3ccccc3 Tox21_113444_1 -NCGC00090965-04 196722888 tox21-ror-cho-viability-p1 set3 4 10.8707224818 -33.837494372 10.5 -23.337494372 0.2 0.6107738401 0.0893691965 10.37638422 -1.72101226 5.06823945 4.81204892 7.6496081 -2.24541877 -1.32082705 -1.54812526 -1.49018733 -5.64429472 -4.45969323 -7.14948953 -1.47132871 -3.11235244 -17.78124531 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00255104-01 196719865 tox21-ror-cho-viability-p1 set3 4 9.13101883 3.12935347 7.29106744 3.99475026 10.780183 3.64863972 12.811277 -0.35082264 -0.42108994 15.29952646 16.3360004 6.12594744 0.33162171 10.90698078 7.66436347 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 114-26-1 4944 144211524 A A Propoxur CC(C)Oc1ccccc1OC(=O)NC Tox21_301207 -NCGC00259748-01 196721885 tox21-ror-cho-viability-p1 set3 4 43.9822472458 12.9622558959 -10.9622558959 2 0.5 0.3049271305 0.363821308 -13.640265 -9.59585132 -14.96854658 -9.26654843 -3.38676799 -12.62340971 -10.41495822 -14.6458998 -10.99738212 0.22803007 -10.37900173 -10.18373646 -7.15255041 -1.51980137 -3.78093858 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.0000016719999999 0.0000037379999999 0.000008358 0.00001869 0.00004179 0.00009344 1596-84-5 15331 144209397 A A Daminozide O=C(NN(C)C)CCC(=O)O Tox21_202199 -NCGC00259299-01 196721895 tox21-ror-cho-viability-p1 set3 4 31.6688987181 12.077250004 -4.077250004 8 4.9549173134 0.6049475108 0.0938480127 -4.76633173 -6.17297906 -3.78327918 5.68198776 -3.47362601 -6.26709926 -6.03054651 -6.73104167 -4.81459122 -1.84356391 -6.22101002 -2.51262016 -4.67178554 5.69626333 7.80575646 1.213E-9 2.713E-9 6.0659999999E-9 1.3559999999E-8 3.033E-8 6.782E-8 1.516E-7 3.391E-7 7.582E-7 0.000001695 0.0000037909999999 0.000008477 0.00001896 0.00004239 0.00009478 98-95-3 7416 144208948 A Ac Nitrobenzene [O-][N+](=O)c1ccccc1 Tox21_201750 -NCGC00259027-01 196722279 tox21-ror-cho-viability-p1 set3 4 -6.64085072 -8.05543973 -1.81181831 2.45670464 -2.43605479 -3.09912798 0.23211162 -6.05459329 -7.10636978 -0.00202815 -6.2608427 -5.50311658 -8.31108028 2.25014869 -0.00084632 1.1689999999E-9 2.6129999999E-9 5.843E-9 1.3069999999E-8 2.922E-8 6.5329999999E-8 1.461E-7 3.267E-7 7.304E-7 0.0000016329999999 0.000003652 0.000008166 0.00001826 0.000040829999999 0.0000913 105-55-5 2735009 144208674 A A N,N'-Diethylthiourea CCNC(=S)NCC Tox21_201476 -NCGC00257184-01 196719453 tox21-ror-cho-viability-p1 set2 4 37.8658189198 -8.023499812 2.5 -5.523499812 1.692447691 0.4662753073 0.2123925015 0.13692533 0.23017525 1.6858715 2.91143109 2.40648324 7.56773945 1.14829842 3.07853237 2.0881734 4.00187169 6.48637624 -0.12258344 -0.00064287 -0.4855816 -4.60291651 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 3290-92-4 18689 144213512 Ac Ac Trimethylolpropane trimethacrylate O=C(OCC(COC(=O)C(=C)C)(CC)COC(=O)C(=C)C)C(=C)C Tox21_303195 -NCGC00257484-01 196719458 tox21-ror-cho-viability-p1 set2 4 -1.91594972 -2.16625259 -1.645886 -0.76706583 -0.53833404 0.0086175 0.41833558 -1.08649889 1.07604982 -2.38013135 -0.25117456 0.08152329 1.13583097 -0.17174288 0.62625587 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7681-76-7 5094 144213715 A A Ronidazole Cn1c(cnc1COC(N)=O)[N+]([O-])=O Tox21_303404 -NCGC00256763-01 196719470 tox21-ror-cho-viability-p1 set2 4 -1.20838911 1.43435676 1.6261299 3.35151128 -0.93224362 3.48972079 -0.84347914 -0.7775463 0.25642684 1.49817794 2.66047725 6.3297417 3.99469753 3.82672444 0.91970489 1.095E-9 2.447E-9 5.473E-9 1.2239999999E-8 2.7359999999E-8 6.119E-8 1.368E-7 3.059E-7 6.841E-7 0.00000153 0.00000342 0.0000076479999999 0.0000171 0.00003824 0.00008551 7549-33-9 61417 144212871 D A Anisyl propionate COc1ccc(COC(=O)CC)cc1 Tox21_302554 -NCGC00254839-01 196719866 tox21-ror-cho-viability-p1 set3 1.4 0.0136854288 27.8413578119 -27.386797096 0.4545607159 0.3 0.7751722022 0.0128872993 -16.12334928 -23.23899758 -12.41299417 -8.01936122 -13.41794308 -13.30871282 -7.47088256 -7.27245252 -6.81165666 -6.86655692 -0.03786607 -6.02030704 -0.05890409 -2.12791082 -1.52796862 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84-62-8 6778 144211254 A A Diphenyl phthalate O=C(Oc1ccccc1)c3ccccc3C(=O)Oc2ccccc2 Tox21_300937 -NCGC00255105-01 196719871 tox21-ror-cho-viability-p1 set3 4 1.69594747 2.02663643 3.68354312 3.09342389 0.00439304 2.33865956 8.18876278 14.90595852 8.71269312 14.32200605 14.96670516 4.26711621 2.85375165 -2.59141029 2.75827438 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 106-68-3 246728 144211525 FNS 3-Octanone CCC(=O)CCCCC Tox21_301208 -NCGC00254863-01 196719873 tox21-ror-cho-viability-p1 set3 4 0.0076958822 10.7151981679 -12.7151981679 -2 0.9999999999 0.7060892522 0.0358881449 -10.1681405 -11.01266514 -10.2287928 -1.47688555 -6.50516429 -2.86377349 -1.64411569 -3.07147194 -1.38066258 -1.29852862 -3.07294703 -4.05459105 -0.56340025 -3.7056061 2.14107271 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-21-8 7792 144211278 A A 3,7-Dimethyloctan-1-ol CC(C)CCCC(C)CCO Tox21_300961 -NCGC00255093-01 196719885 tox21-ror-cho-viability-p1 set3 4 0.0343762429 12 6 18 1.4641 0.4175441333 0.2716471599 8.74223173 5.14544773 4.18919626 9.44083667 13.63373732 10.72406154 17.39203458 23.23434385 20.24027922 22.13796693 20.33402832 25.30815875 13.11712003 1.727465 1.74008372 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-23-0 7794 144211512 AC Ac Citronellal C\C(C)=C\CCC(C)CC=O Tox21_301195 -NCGC00254044-01 196720294 tox21-ror-cho-viability-p1 set3 4 -1.96648083 -6.93657916 -8.17147137 -7.05132748 -0.65536646 0.32495191 -3.37318032 -2.40155212 0.16210028 -0.85548675 -0.32804473 0.58558815 0.43502288 -1.73119474 -6.46383844 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 563-12-2 3286 144210495 A A Ethion S=P(SCSP(=S)(OCC)OCC)(OCC)OCC Tox21_300175 -NCGC00254701-01 196720702 tox21-ror-cho-viability-p1 set3 4 2.7306020303 5.813496176 -3.313496176 2.5 3.6772481694 0.3232841434 0.3465441917 -4.27022568 -7.71265721 -0.08513884 5.02239944 -5.11117935 -1.50369006 -9.42791348 -0.550069 -6.87918637 -1.38248512 0.11107024 6.03827363 0.3231715 -0.86501166 4.36344275 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10258-54-5 25106 144211114 A A 2-Methoxyethyl cyanoacetate O=C(CC#N)OCCOC Tox21_300797 -NCGC00017400-10 196712550 tox21-ror-cho-viability-p1 set2 4 2.1131682429 4.6228914479 -1.1228914479 3.5 4.9549173134 0.5011790127 0.1982272707 -1.79002649 -1.5349619 -3.18515935 0.19287665 -0.39615998 -1.11408674 -0.68734066 -0.39529747 1.98921422 -5.10240954 -0.20570448 5.82645813 3.0410941 1.09485998 -0.4193969 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 511-12-6 10531 170465012 A Dihydroergotamine CN1C[C@@H](C[C@@H]2c3cccc4ncc(C[C@@H]12)c34)C(=O)N[C@]8(C)O[C@]7(O)N([C@@H](Cc5ccccc5)C(=O)N6CCC[C@H]67)C8=O Tox21_110821_1 -NCGC00160661-02 196712554 tox21-ror-cho-viability-p1 set2 4 0.6682424727 -16.295806868 7.5 -8.795806868 0.6 0.5327092163 0.1660240667 5.00668007 10.52820219 6.98483494 7.40580928 7.09825896 0.06574561 5.79105074 1.19679484 1.4545379 -0.89610893 -0.34822501 -1.2042369 -19.41317239 0.85342214 5.67350395 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66871-56-5 47510 170466410 A Lidamidine O=C(Nc1c(C)cccc1C)NC(=N)NC Tox21_113641_1 -NCGC00163736-04 196712530 tox21-ror-cho-viability-p1 set2 4 4.33553393 5.46892589 5.27492465 6.04376625 7.11207039 5.40165929 6.54383679 3.91212469 7.08530053 0.6940976 5.09809203 3.15277127 2.55192186 2.65421352 2.51512563 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 138261-41-3 86418 170465741 A Imidacloprid [O-][N+](=O)/N=C2\NCCN2Cc1cnc(Cl)cc1 Tox21_111298_1 -NCGC00263893-02 196712536 tox21-ror-cho-viability-p1 set2 4 -3.7616272 -0.74275637 -2.96048318 -4.34713936 -2.61423015 -5.46339354 -4.1557641 1.69856046 -4.48128639 1.75220738 -4.12110063 0.04304495 -3.99160544 -2.92997609 0.91912246 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 585-86-4 157355 170465917 Z Lactitol OC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO Tox21_112397_1 -NCGC00090874-04 196712964 tox21-ror-cho-viability-p1 set2 4 -0.14824265 1.99356969 -0.02729816 -0.58680051 0.67759108 0.15621812 -1.97378996 -1.99631314 -0.97678341 -1.8851231 -2.04138886 -1.34167733 -2.17907648 -3.30196169 -4.74527932 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00261973-01 196713375 tox21-ror-cho-viability-p1 set2 4 -3.92610055 -6.30688384 -5.90586308 -3.81596156 2.88032382 -1.51423537 3.06754758 0.3145502 -1.01017409 -1.36960643 1.75102839 0.55895431 2.04466124 1.31787222 0.14887095 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 32838-28-1 2486 170466034 B A Butoctamide semisuccinate CC(CC(=O)NCC(CC)CCCC)OC(=O)CCC(=O)O Tox21_113893 -NCGC00015073-05 196713376 tox21-ror-cho-viability-p1 set2 4 0.0038570779 -7.1862078159 6 -1.1862078159 2.7202212143 0.6971861022 0.0398407059 7.35624269 6.13135761 3.15675165 7.58818386 3.23815001 0.2851473 -0.40751127 -0.0437205 -3.08213917 -0.34199838 2.48611162 -0.57560089 -6.40517318 -2.99886627 0.29217636 1.1799999999E-10 2.638E-10 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 20537-88-6 2141 170465179 F Amifostine OP(=O)(O)SCCNCCCN Tox21_110077_1 -NCGC00183862-01 196713385 tox21-ror-cho-viability-p1 set2 4 -5.4856928 -4.94640333 -4.42841143 -1.99380208 -2.26100759 -2.14123331 -2.50672069 -1.49747671 -1.02498524 -2.24967762 -1.28543859 0.14875731 -0.84000941 0.44948577 -2.91690772 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 75820-08-5 53359 144206867 A C Tolrestat O=C(O)CN(C)C(=S)c2cccc1c2ccc(OC)c1C(F)(F)F Tox21_113316 -NCGC00093364-02 196713778 tox21-ror-cho-viability-p1 set2 4 -0.42166538 -0.80365203 -0.11864024 -0.3691449 -4.62650653 0.48893672 -0.02742902 -0.80413081 -2.85450058 0.26430685 -0.29627544 -0.23251675 0.27057507 0.01410777 1.78893335 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56-04-2 667493 170466508 A 6-Methyl-2-thiouracil O=C1C=C(C)NC(=S)N1 Tox21_111088_1 -NCGC00094736-05 196713781 tox21-ror-cho-viability-p1 set2 4 -4.51011127 -4.64922393 -0.8612688 -5.71476874 -3.21573102 -5.34966361 -3.46408945 -5.10521709 -4.88545414 -0.544507 -1.33168863 -1.87607335 -1.074456 -1.58842911 0.46567712 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 121-81-3 4511 170466818 A Nitromide O=[N+]([O-])c1cc(cc(c1)[N+]([O-])=O)C(N)=O Tox21_111321_1 -NCGC00271513-02 196713782 tox21-ror-cho-viability-p1 set2 4 -3.33777389 -1.73120061 -2.675444 -2.82974264 -3.39240325 -3.4472348 -1.85688058 0.73125455 -1.13743024 -1.3891545 -3.67982198 -3.31804049 -2.09238848 1.96606943 1.01832889 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 31036-80-3 30668 170466275 A A Lofexidine Clc2cccc(Cl)c2OC(C)C1=NCCN1 Tox21_113963 -NCGC00183843-01 196713786 tox21-ror-cho-viability-p1 set2 4 0.0298492948 -9.7897970719 8 -1.7897970719 0.4 0.7899199657 0.010041319 4.49543343 8.63429692 5.26278089 3.56524844 2.43482571 5.0060313 1.83451123 1.18155404 0.21001216 1.12521679 0.10757558 0.76199789 -1.95215989 -2.74149756 -0.12883059 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57574-09-1 34870 144206864 A A Amineptine O=C(O)CCCCCCNC2c3ccccc3CCc1ccccc12 Tox21_113313 -NCGC00091468-02 196699664 tox21-ror-cho-viability-p1 set1 4 0.53159399 1.49074669 0.01258185 -0.86844281 -0.89098146 0.09674284 0.29925028 -0.81038481 -0.74460542 0.79963656 0.40419224 -0.7496768 -0.12510501 -0.96574305 4.27857974 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00255064-01 196699246 tox21-ror-cho-viability-p1 set1 4 -0.02895404 -5.73406375 -2.6372858 -5.45003776 -4.31077008 -2.81164423 -2.17706126 -1.9973157 -0.01704568 -5.16411413 -3.15416283 -0.09052887 -1.10891997 1.01965491 1.21144754 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66441-23-4 47938 144211483 A B Fenoxaprop-ethyl O=C(OCC)C(C)Oc1ccc(cc1)Oc2nc3ccc(Cl)cc3o2 Tox21_301166 -NCGC00253947-01 196699262 tox21-ror-cho-viability-p1 set1 4 61.130564862 -11.317171344 -2 -13.317171344 0.8999999999 0.6197529754 0.0853259856 -3.16738071 -4.093257 -2.55388272 1.21729761 0.73994356 -3.2075458 -3.10903039 -3.554556 0.44663779 -2.02036351 -4.06340864 -2.48084502 -5.20171395 -6.05972841 -9.43097612 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 199171-88-5 9799979 144210527 A A CP-401387 O=C(O)[C@H]1CC[C@@](C#N)(CC1)c2ccc3c(c2)n(nc3CC)C4CCCCC4 Tox21_300207 -NCGC00254639-01 196699658 tox21-ror-cho-viability-p1 set1 4 54.4826732819 -29.2450544679 1.5 -27.7450544679 1.5385888099 0.7332490246 0.0249414947 1.18377255 7.39769409 1.39544149 0.47202524 1.39351108 1.10372397 4.12086646 -8.34910457 -0.14460233 1.85835683 3.4336294 0.98711889 -6.88702835 -7.65665948 -19.78754539 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 741-58-2 12932 144211050 A A Bensulide O=S(=O)(NCCSP(=S)(OC(C)C)OC(C)C)c1ccccc1 Tox21_300733 -NCGC00254511-01 196699671 tox21-ror-cho-viability-p1 set1 4 33.4914596268 12.093408876 -0.593408876 11.5 4.9549173134 0.8003039017 0.6479902641 0.05292887 0.10832725 -0.78763161 -2.57784073 -2.18516789 -0.69515099 -1.96499067 0.68607791 0.31457278 0.35341462 1.98730768 0.7909267 35.62419888 0.34319526 9.27729143 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1120-01-0 23695542 144210699 A Ac Sodium hexyldecyl sulfate [Na+].[O-]S(=O)(=O)OCCCCCCCCCCCCCCCC Tox21_300381 -NCGC00253952-01 196699675 tox21-ror-cho-viability-p1 set1 4 30.6378586933 -9.785929684 -1 -10.785929684 4.9549173134 0.6630446357 0.0693303774 -2.91251179 -1.43270182 -3.89065709 1.06644188 0.67136389 -2.46930893 -2.15273799 -0.18431728 -0.18519829 -2.15908992 -2.2643016 0.74825112 0.10959089 -9.82160807 -2.39465877 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-80-9 289 144210473 Z Catechol Oc1ccccc1O Tox21_300153 -NCGC00254714-01 196699683 tox21-ror-cho-viability-p1 set1 4 1.81744165 -1.54891529 0.87773269 0.25010653 3.69770415 -1.15858038 -1.2022049 3.30253408 2.6202548 1.7668612 0.78825515 1.87087565 -1.46219411 2.62624377 -0.19616338 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-97-3 7590 144211127 A A Ethyl phenylacetate O=C(OCC)Cc1ccccc1 Tox21_300810 -NCGC00255145-01 196700074 tox21-ror-cho-viability-p1 set1 4 27.3060203028 -10.7124376 0.5 -10.2124376 4.9549173134 0.8891710728 0.0009687455 1.0817073 1.90335922 -0.07731306 0.37097121 -0.90090218 1.52152394 0.0958689 0.55294415 0.94620266 2.52342537 -0.45580157 1.21962914 -0.69077148 -9.343698 1.57007661 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-34-0 9279 144212648 A C Propantheline bromide [Br-].CC(C)[N+](C)(CCOC(=O)C1c3ccccc3Oc2ccccc12)C(C)C Tox21_302331 -NCGC00255864-01 196700078 tox21-ror-cho-viability-p1 set1 -2.1 61.130564862 -103.2072388848 0.916079326 -102.2911595588 2.9522712143 0.9801052776 4.61E-8 2.37977426 -0.12424168 3.43451415 0.29377204 0.91576315 4.44220855 -0.48929217 6.45196465 -0.0206857 1.21361422 -0.12120769 0.9237911 -9.76695095 -20.73070487 -79.38724209 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1155-74-4 62379 144211556 A A Tetradecylpyridinium bromide [Br-].CCCCCCCCCCCCCC[n+]1ccccc1 Tox21_301239 -NCGC00256226-01 196700081 tox21-ror-cho-viability-p1 set1 4 0.3661935 0.58050978 -0.36327738 0.05041683 3.7102161 3.70286046 0.9571077 1.95182349 1.34261403 9.45690775 0.56313228 0.02030423 0.80473196 3.38826069 1.2169591 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 999-21-3 5354266 144211787 Z Z Diprop-2-en-1-yl (2Z)-but-2-enedioate O=C(\C=C/C(=O)OCC=C)OCC=C Tox21_301470 -NCGC00015649-08 196697350 tox21-ror-cho-viability-p1 set1 4 0.13170046 1.58799022 3.03970381 -0.23276152 8.51646107 -0.49014285 0.14405938 2.6062969 0.75014336 1.54992903 1.22438581 3.42696263 0.67491783 2.17765685 1.2765207 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 75438-57-2 4810 170466534 A Moxonidine hydrochloride hydrate COc2nc(C)nc(Cl)c2NC1=NCCN1 Tox21_110190_1 -NCGC00167438-02 196697319 tox21-ror-cho-viability-p1 set1 4 0.20792631 0.12112694 5.33902043 0.8633181 7.44968391 5.27912415 -0.98515263 7.49412705 1.84427764 -0.43464858 6.04560936 0.69699878 0.40762844 5.47964472 5.6432305 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10405-02-4 5284631 170464918 A Trospium chloride [Cl-].OC(c1ccccc1)(c2ccccc2)C(=O)O[C@@H]3C[C@@H]5CC[C@H](C3)[N+]45CCCC4 Tox21_112442_1 -NCGC00259936-01 196721604 tox21-ror-cho-viability-p1 set3 4 29.7055370537 9.53972982 -4.03972982 5.5 4.9549173134 0.4968132885 0.182367455 -9.19977485 -2.97491412 0.81545337 2.14628995 -5.66521746 -5.56813551 -7.1240476 -4.89468269 -6.32525148 -0.24270336 -5.28518658 -3.94228334 -3.60148866 3.37225424 5.4047057 1.15E-9 2.571E-9 5.749E-9 1.285E-8 2.874E-8 6.4269999999E-8 1.437E-7 3.214E-7 7.186E-7 0.0000016069999999 0.0000035929999999 0.000008034 0.00001796 0.000040169999999 0.000089819999999 140-67-0 8815 144209585 A A Estragole COc1ccc(CC=C)cc1 Tox21_202387 -NCGC00090750-04 196721207 tox21-ror-cho-viability-p1 set3 4 1.159448 -9.94056083 3.58796587 -8.53208864 -1.32322424 -1.55591435 -0.36451231 -0.02334261 0.8762828 -0.65080275 0.84942302 0.28567114 1.12475909 1.24755247 -2.79757882 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00259239-01 196721221 tox21-ror-cho-viability-p1 set3 -2.4 76.1768542058 -27.74124268 -2.5 -30.24124268 4.9549173134 0.7830575313 0.0111696984 -0.88984035 1.81604204 1.43536069 -5.34143825 -6.31637953 -5.31191279 -4.16952852 -4.85771294 -3.97521664 -4.02507374 -0.25272432 0.57723066 -3.50280218 0.16370413 -23.5343689 1.1699999999E-9 2.6159999999E-9 5.849E-9 1.3079999999E-8 2.925E-8 6.539E-8 1.462E-7 3.27E-7 7.311E-7 0.000001635 0.000003656 0.0000081739999999 0.00001828 0.000040869999999 0.000091389999999 79917-90-1 2734161 144208888 A A 1-Butyl-3-methylimidazolium chloride [Cl-].CCCCn1cc[n+](C)c1 Tox21_201690 -NCGC00258965-01 196721612 tox21-ror-cho-viability-p1 set3 4 -6.20988001 -2.86419484 -3.43893286 4.17944455 -3.22873255 -8.26760848 -6.98414614 -3.89362359 -6.39444907 -2.5113863 -5.83052153 -10.31573498 -5.60461643 3.32470064 -2.54993974 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.6299999999E-8 1.4829999999E-7 3.315E-7 7.4129999999E-7 0.0000016579999999 0.000003707 0.000008288 0.00001853 0.000041439999999 0.00009266 834-12-8 13263 144208612 A A Ametryn CSc1nc(NCC)nc(NC(C)C)n1 Tox21_201414 -NCGC00091902-08 196721620 tox21-ror-cho-viability-p1 set3 1.4 0.0038570779 23.288053976 -22.288053976 1 0.6999999999 0.7642200335 0.0155816899 -15.24004498 -12.00080488 -10.07077211 -5.32224168 1.36870609 -4.08865751 -3.63659423 0.22657463 -4.04105089 0.31500652 -0.38106938 3.58917419 1.7751556 6.59735405 -3.02928333 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00259709-01 196721621 tox21-ror-cho-viability-p1 set3 4 -5.48609386 -2.1364943 -1.00083761 -1.49689893 -5.41529259 -6.08362525 -3.45694427 -5.98494906 -5.24615904 -1.39618105 -3.99163717 -2.36463759 -7.08038527 0.32063697 -4.74474424 1.1739999999E-9 2.626E-9 5.871E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.282E-7 7.339E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.000091739999999 50471-44-8 39676 144209358 A A Vinclozolin O=C1N(C(=O)OC1(C)C=C)c2cc(Cl)cc(Cl)c2 Tox21_202160 -NCGC00091253-05 196722003 tox21-ror-cho-viability-p1 set3 4 -2.78841071 -0.27216316 1.60139065 -2.18391297 -4.8889967 -4.34250426 -1.7518993 -4.03768276 -2.24340902 -3.54211054 -4.76696412 -1.80857378 -0.59570523 4.72210938 2.98087689 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00091210-02 196722010 tox21-ror-cho-viability-p1 set3 4 0.8634921799 8.2011662799 -9.7011662799 -1.5 1.4641 0.60126595 0.0965137631 -11.77627103 -12.67478222 -7.90839282 -3.69050565 -8.45021814 -7.59767016 -13.5009719 -10.21385723 -6.77609304 0.60848245 -4.59744318 -3.75183807 -2.00373089 2.30976967 -2.79692521 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00254570-01 196720838 tox21-ror-cho-viability-p1 set3 4 0.0182234144 11.314241488 -12.314241488 -1 0.7999999999 0.6981087494 0.0482809735 -9.05658834 -14.84520124 -6.07173263 -4.65054152 -8.03580855 -5.38671268 -1.50343001 0.2784126 -3.04400827 1.33489018 -3.19663338 -0.1778661 -0.31499569 -3.26444032 -24.13511322 1.361E-9 3.044E-9 6.8069999999E-9 1.522E-8 3.404E-8 7.61E-8 1.7019999999E-7 3.805E-7 8.509E-7 0.000001903 0.0000042539999999 0.000009513 0.000021269999999 0.00004757 0.0001064 123-33-1 21954 144210979 AC Maleic hydrazide O=C1C=CC(=O)NN1 Tox21_300662 -NCGC00255014-01 196720423 tox21-ror-cho-viability-p1 set3 -1.2 15.4490445948 -33.7517009559 0.5 -33.2517009559 1.713743691 0.9516139409 0.0000070348 5.16501261 -2.02531867 1.99812433 -2.10013816 -3.11890603 2.42246049 0.94223292 -2.91093648 2.24209183 1.37795696 -4.74242683 -6.18226673 -20.19969994 -26.3588545 -32.29308413 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 120068-37-3 3352 144211431 A A Fipronil FC(F)(F)S(=O)c1c(N)n(nc1C#N)c2c(Cl)cc(cc2Cl)C(F)(F)F Tox21_301114 -NCGC00090858-02 196720825 tox21-ror-cho-viability-p1 set3 1.4 0.0034376243 18.310543804 -20.310543804 -2 0.6 0.7295249407 0.0264327522 -11.70207821 -16.92545317 -9.31936665 -3.40896536 -6.96721325 -5.7698727 -2.00417208 -1.99117071 -6.13006734 -4.00296327 -4.24633911 -1.84322083 -2.31322586 -0.42252043 0.0235235 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00254156-01 196720837 tox21-ror-cho-viability-p1 set3 4 15.98894205 17.9964277 12.26259028 7.0299693 14.58045412 16.8064445 1.81946861 10.1785008 24.24922529 9.97839689 11.56565521 16.77802883 0.29411294 6.71864341 7.4809554 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6381-77-7 23683938 144210479 F Sodium erythorbate (1:1) [Na+].OC=1C(=O)O[C@H]([C@H](O)CO)C=1[O-] Tox21_300159 -NCGC00254135-01 196714666 tox21-ror-cho-viability-p1 set2 4 -3.19241168 -3.60482285 -3.88115774 0.37598763 -0.30006484 0.07524822 -0.61775328 0.07614282 0.14609186 -2.68256848 0.41692581 0.07834751 -0.46631625 1.7774107 0.77732009 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-41-0 1775 144210601 A A 5,5-Diphenylhydantoin O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3 Tox21_300281 -NCGC00253920-01 196714670 tox21-ror-cho-viability-p1 set2 4 43.2771256911 7.050878336 -5.550878336 1.5 3.1319983358 0.3834070866 0.2916927727 -4.88533629 -8.6411756 -1.45280355 -3.15143538 -1.6864283 -6.25049964 -5.44691474 -6.431583 -10.45906528 -6.21693197 -4.93914719 -6.6141741 -5.79704395 -1.88543374 0.78587411 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-37-8 7497 144210357 AC F N,N-Diethylethanolamine CCN(CC)CCO Tox21_300037 -NCGC00254165-01 196714674 tox21-ror-cho-viability-p1 set2 4 1.89580295 -0.4670528 1.7308007 2.21656514 1.10848408 4.88394327 0.6829858 2.2488853 0.68320644 5.65295631 0.1275143 0.1704172 3.98888792 0.78911811 1.33428021 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 732-11-6 12901 144210413 C D Phosmet COP(=S)(OC)SCN2C(=O)c1ccccc1C2=O Tox21_300093 -NCGC00255004-01 196714676 tox21-ror-cho-viability-p1 set2 4 1.66938763 -0.1147248 0.9971391 0.60594759 1.14575548 1.51321708 -0.08362989 0.14221469 1.11467071 0.17150834 0.77519123 2.19342668 4.77982398 2.40338704 0.52467052 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 11099-07-3 24699 144211421 A F Glyceryl stearates OCC(O)COC(=O)CCCCCCCCCCCCCCCCC Tox21_301104 -NCGC00254383-01 196715080 tox21-ror-cho-viability-p1 set2 4 1.55826157 0.692149 -0.10532056 2.01358812 -1.1454518 0.8928173 -0.56676595 2.02316093 -0.4641208 0.94477334 -0.97801421 1.78495174 4.1576378 0.1931762 -0.69502297 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112733-06-9 5724 144210777 A A Zenarestat Brc3ccc(CN2C(=O)c1ccc(Cl)cc1N(CC(=O)O)C2=O)c(F)c3 Tox21_300459 -NCGC00254217-01 196715079 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -14.4847747799 -1 -15.4847747799 4.9549173134 0.9176047194 0.0001252161 -1.49274191 0.188722 -2.00314997 -0.85502016 -2.63225796 -1.35126349 -0.56612125 -0.60175982 -1.89043146 -0.97848117 -0.138958 -0.76557853 0.04775303 -0.57367528 -12.07064565 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-55-8 7444 144210454 A A 2-Methyl-5-nitroaniline Cc1ccc(cc1N)[N+]([O-])=O Tox21_300134 -NCGC00254875-01 196715081 tox21-ror-cho-viability-p1 set2 4 -2.0921266 -10.32531844 -5.34735283 -1.46786088 -9.73123406 -9.0675722 -6.53026465 -9.0061339 0.39615108 -4.36902322 -6.67998641 -7.86976713 -7.63018992 -3.543675 -1.44143392 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10420-33-4 112039 144211289 A A Dimethyl acetylsuccinate COC(=O)CC(C(=O)OC)C(C)=O Tox21_300972 -NCGC00260450-01 196712201 tox21-ror-cho-viability-p1 set2 4 31.4497189984 -33.173059388 1 -32.173059388 0.5999999999 0.6572296444 0.0598083694 -0.20220189 0.91028484 0.08509154 1.23659002 0.8176845 -0.48409834 1.16252878 0.22340171 0.09779398 -7.1877431 -15.58283059 1.16439458 -19.14883893 -7.5667286 -28.47754949 1.206E-9 2.697E-9 6.0309999999E-9 1.349E-8 3.016E-8 6.743E-8 1.5079999999E-7 3.371E-7 7.539E-7 0.0000016859999999 0.000003769 0.000008429 0.00001885 0.00004214 0.000094239999999 92146-82-2 2737408 144210102 A A tert-Butyl-3-aminobenzoate Nc1cc(ccc1)C(=O)OC(C)(C)C Tox21_202904 -NCGC00357154-01 196711783 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -24.340718468 2.5 -21.840718468 4.9549173134 0.8323836059 0.0037497802 0.02370789 0.44036275 1.71838147 1.58534552 2.11376046 4.22248525 2.24691519 6.27162 6.24261416 5.46813562 1.36286706 2.1151047 0.51366206 1.79984962 -14.86726539 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33693-04-8 36584 251919775 Terbumeton COc1nc(NCC)nc(NC(C)(C)C)n1 Tox21_303900 -NCGC00260332-01 196712199 tox21-ror-cho-viability-p1 set2 4 19.1202803718 18.4225128 0.5774872 19 0.4 0.7810384156 0.0116620666 -0.352094 -0.01422953 1.74643626 3.6995905 1.76957893 1.39628878 3.8743668 3.25049809 4.66384448 10.23664147 5.2596955 4.60822871 7.24550329 14.37541312 14.29593563 1.2869999999E-9 2.8779999999E-9 6.4349999999E-9 1.439E-8 3.218E-8 7.1949999999E-8 1.609E-7 3.597E-7 8.044E-7 0.0000017989999999 0.000004022 0.0000089939999999 0.00002011 0.00004497 0.00010059999999 5632-47-3 21845 144209984 A B N-Nitrosopiperazine O=NN1CCNCC1 Tox21_202786 -NCGC00091210-02 196712200 tox21-ror-cho-viability-p1 set2 4 -2.82999688 -4.42716361 -4.85761837 -4.75619203 -4.54842667 -4.32117878 -0.42582814 -6.52591594 -18.33150934 -8.10588073 -5.79756288 0 0 -18.78386885 -17.16927617 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00091602-02 196712207 tox21-ror-cho-viability-p1 set2 4 -0.28621129 -2.17349495 -5.03821412 -6.97124366 -3.08159178 -7.90902742 -3.93312026 -4.60378701 -0.02035029 -4.69933411 -3.91509082 -0.6755703 -14.95039196 -4.88924118 -2.4259907 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00357093-01 196712208 tox21-ror-cho-viability-p1 set2 4 0.0968854161 -12.811910912 0 -12.811910912 3.9294729863 0.6634561762 0.0563979015 -0.40022588 -0.60602622 -0.00763439 -1.97701549 0.86510482 -0.72417821 -13.32785799 -9.79905935 -19.19615902 -1.53658392 -9.45850901 -12.48003453 -14.14050337 -12.37559606 -20.25992576 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2682-20-4 39800 251919715 A 2-Methyl-3(2H)-isothiazolone O=C1C=CSN1C Tox21_303814 -NCGC00255790-01 196728360 tox21-ror-cho-viability-p1 set3 4 0 2.43585338 0.83203366 1.09473261 0.81836858 1.75633087 5.46792201 5.91175995 0.22126019 -0.44383034 3.50600602 -4.03951957 -3.78044394 1.93319787 0.8129589 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 392-12-1 803 144211682 D F Indole-3-pyruvic acid O=C(O)C(=O)Cc2cnc1ccccc12 Tox21_301365 -NCGC00091390-04 196705080 tox21-ror-cho-viability-p1 set1 4 1.03597705 1.02718802 0.98953497 1.20709598 0.95183027 5.65381212 2.25237609 8.37728541 4.62447616 1.1560951 0.34152108 0.86786152 4.72811591 6.09684111 0.00398906 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 150-76-5 9015 170464687 F 4-Methoxyphenol Oc1ccc(OC)cc1 Tox21_111125_1 -NCGC00159395-04 196705493 tox21-ror-cho-viability-p1 set1 4 -1.02549705 -0.17191305 1.11853464 -1.56707068 3.94137263 0.26134334 -1.58165558 2.6973974 -1.14115715 2.05759064 4.97076116 -2.16463136 -0.54443902 3.72146214 4.69331278 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103-03-7 61002 170466385 C Phenicarbazide NC(=O)NNc1ccccc1 Tox21_111632_1 -NCGC00159384-04 196705496 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -22.037987936 2 -20.037987936 4.9549173134 0.9154376243 0.000139372 1.22845197 2.4127973 0.06364906 -0.05283844 1.30314236 3.90593924 2.97264658 1.61388516 0.82655923 3.48825735 -0.49764132 2.23401417 3.24508654 2.03077 -16.69832328 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 89-68-9 6982 170465546 Ac 6-Chlorothymol Oc1cc(C)c(Cl)cc1C(C)C Tox21_111622_1 -NCGC00255946-01 196727943 tox21-ror-cho-viability-p1 set3 -2.2 61.130564862 -62.2773195102 -3.443754185 -65.7210736952 3.5117481694 0.8345219563 0.0035018489 0.84951095 -5.34666307 -2.50238988 -0.67528968 5.67356656 -8.83812289 -10.86649973 -6.91666457 -11.05645989 -6.75754097 10.48218299 -1.0482191 -6.91720057 -15.53528228 -53.95535886 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3878-19-1 19756 144211891 A A Fuberidazole n1c3ccccc3nc1c2ccco2 Tox21_301574 -NCGC00255433-01 196727950 tox21-ror-cho-viability-p1 set3 4 64.0012659283 -16.514322732 -0.5 -17.014322732 2.5334283767 0.6783972223 0.0490370835 0 -1.24976785 3.93639514 -0.63779668 -1.9012778 0.31193013 -3.41675893 -3.30224601 -0.15993726 0.09874972 2.72781008 -4.59483668 -0.7798911 -4.7695863 -12.51193561 1.226E-9 2.741E-9 6.129E-9 1.37E-8 3.064E-8 6.852E-8 1.532E-7 3.426E-7 7.661E-7 0.000001713 0.00000383 0.0000085649999999 0.000019149999999 0.000042829999999 0.00009576 283594-90-1 9907412 144211550 F F Spiromesifen CC(C)(C)CC(=O)OC2=C(C(=O)OC12CCCC1)c3c(C)cc(C)cc3C Tox21_301233 -NCGC00256106-01 196728355 tox21-ror-cho-viability-p1 set3 4 -0.33111162 4.76304757 -3.28849767 -8.58763992 -0.14424636 -2.39507125 0.52185795 -3.36269318 -0.12110531 -5.86022542 -2.67269507 -4.13480272 3.193301 0.09969136 3.82214665 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2224-15-9 16683 144212049 F Ac Ethylene glycol diglycidyl ether C(OCCOCC1CO1)C2CO2 Tox21_301732 -NCGC00255574-01 196728760 tox21-ror-cho-viability-p1 set3 4 -4.2852243 2.27853039 -0.61323461 2.32719103 -1.05056696 13.49119682 0.8508244 2.46165222 -3.31012177 1.39957916 -1.69567998 11.48556813 2.07536601 -2.78758981 5.06098101 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 39236-46-9 38258 144212642 F Imidazolidinyl urea OCN2C(=O)NC(=O)C2NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO Tox21_302325 -NCGC00255862-01 196728759 tox21-ror-cho-viability-p1 set3 4 2.16038977 0.04742146 -1.282102 2.56552566 -3.13723552 1.0263979 5.21872343 1.07594096 1.35965491 1.40060915 1.72154355 1.67775844 1.37150282 1.16240987 2.33987866 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 1670-14-0 80289 144212482 Z A Benzenecarboximidamide, monohydrochloride Cl.N=C(N)c1ccccc1 Tox21_302165 -NCGC00255493-01 196728764 tox21-ror-cho-viability-p1 set3 4 -0.29072045 -3.44098976 1.90426434 -0.91014286 2.62533653 -2.76976901 -0.59009047 0.20514726 1.51565752 -4.40019768 2.89789738 -5.66903707 -3.72299455 -4.08637243 -6.87461002 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-01-4 6867 144211851 A A 7-(Dimethylamino)-4-methylcoumarin CN(C)c1ccc2c(c1)OC(=O)C=C2C Tox21_301534 -NCGC00090708-05 196728768 tox21-ror-cho-viability-p1 set3 -2.4 5.4482673282 -19.078398788 -1.5 -20.578398788 1.4641 0.9242921227 0.0000778967 -4.08454557 -0.07014691 2.94069541 -3.91838991 -1.90720553 -0.94809782 -2.74783269 -5.00047349 0.20592999 -4.67494607 -7.23321416 -15.49125732 -18.8234761 -20.48199899 -18.39389105 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00255518-01 196728779 tox21-ror-cho-viability-p1 set3 4 5.46506231 -3.1539155 -4.29752167 -7.82510865 0.46012729 -0.6465318 -0.30537303 -0.78504452 -1.96861475 -2.21529772 2.5680471 -0.77069357 0.56652979 -1.32006861 0.31383644 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1746-81-2 15629 144211677 A A Monolinuron Clc1ccc(NC(=O)N(C)OC)cc1 Tox21_301360 -NCGC00255195-01 196729185 tox21-ror-cho-viability-p1 set3 4 1.83520212 -5.9215971 -0.94169551 -0.95009819 2.11357686 -0.61451191 5.52967694 -1.4796522 2.82084651 -1.13567645 5.4819466 0.07676658 0.40388953 3.03497233 2.6432378 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 378-44-9 9782 144211772 A A Betamethasone OCC(=O)[C@@]4(O)[C@@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_301455 -NCGC00164168-02 196723211 tox21-ror-cho-viability-p1 set3 4 1.6186602137 -4.4566195079 2.5 -1.9566195079 4.9549173134 0.3369577955 0.3503204725 0.7627039 2.39849886 0.42764286 2.65622977 2.75753612 0.5350113 4.52473053 2.8494762 7.45650348 -0.59384109 -5.92351803 1.64052327 3.23029706 -6.21384959 0.340827 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00254723-01 196699097 tox21-ror-cho-viability-p1 set1 4 1.70634175 -0.76664062 2.15635541 1.32489997 1.10422597 1.10250893 -3.56727967 0.69501258 0.12436644 2.86589769 0.81974981 -2.06048589 0.23638127 0.45955432 1.52181488 1.1069999999E-9 2.474E-9 5.533E-9 1.237E-8 2.766E-8 6.186E-8 1.383E-7 3.093E-7 6.916E-7 0.0000015459999999 0.000003458 0.000007732 0.00001729 0.000038659999999 0.00008645 10025-74-8 66207 144211136 Dysprosium(III) chloride Cl[Dy](Cl)Cl Tox21_300819 -NCGC00091205-03 196723616 tox21-ror-cho-viability-p1 set3 4 0.0144978 -6.60433476 2.5 -4.10433476 4.9549173134 0.5532310199 0.1496080903 4.24226072 -0.18521939 0.84163954 5.406081 -5.8466412 -4.85008994 -1.38843304 -3.05566801 -6.12180321 -8.0036123 0.71316433 -1.79155457 -4.19809643 -7.09934855 2.79193806 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00015964-17 196722792 tox21-ror-cho-viability-p1 set3 1.2 0.1059092946 28.965435468 -19.465435468 9.5 1.6435888099 0.9273263568 0.0000626062 -16.19929273 -21.01597854 -15.78721939 -20.18678456 -18.11225566 -24.13786289 -3.3122857 0 0.10542431 8.84875263 12.75097276 9.98195813 6.68793843 9.63898758 11.43481631 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 749-02-0 5265 170465856 A Spiperone Fc1ccc(cc1)C(=O)CCCN2CCC4(CC2)C(=O)NCN4c3ccccc3 Tox21_110269_1 -NCGC00247341-02 196723613 tox21-ror-cho-viability-p1 set3 4 13.6736563 9.04714931 17.56879679 -2.15314299 18.03839401 14.86973609 21.02213429 5.87839188 10.97124044 5.60535021 -0.98574438 3.9113743 7.55498273 12.95291444 18.4932651 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.938E-8 6.568E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.000041049999999 0.0000918 125-79-1 31331 144206412 A A Premethadone CN(C)C(C)CC(C#N)(c1ccccc1)c2ccccc2 Tox21_112859 -NCGC00023699-09 196723620 tox21-ror-cho-viability-p1 set3 2.4 26.6032120037 29.603228152 2.396771848 32 0.7999999999 0.7342616212 0.0245917155 4.949228 -0.26422006 4.1528804 -1.33602346 5.18407149 2.58053704 -0.0845804 -0.35368735 8.98566009 10.45282209 6.63542501 6.4682779 8.09924709 13.24659279 24.95089663 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 153-61-7 6024 170465101 F Cephalothin O=C(O)C=2N3C(=O)[C@@H](NC(=O)Cc1cccs1)[C@H]3SCC=2COC(C)=O Tox21_111579_1 -NCGC00182034-01 196723627 tox21-ror-cho-viability-p1 set3 2.4 33.4914596268 52.8037042656 3.7659007239 56.5696049895 0.8999999999 0.6319901061 0.0750288207 11.85160493 5.45496517 10.5258857 4.01278824 0.77901186 6.55146359 3.86882553 1.75028272 12.14004481 13.39247668 13.89165497 13.89155142 8.52488855 15.88018596 43.12000462 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6809-52-5 53384398 144206513 F A Teprenone C/C(C)=C\CCC(\C)=C\CCC(\C)=C\CCC(C)=CCCC(C)=O Tox21_112960 -NCGC00357143-01 196724020 tox21-ror-cho-viability-p1 set3 4 -3.6410472 -2.7159906 -2.29129939 -0.89495699 -1.1285527 -1.1501937 -11.39410146 -1.21740704 -1.4933394 -0.47495822 1.15752214 0.19860824 -2.66438348 -2.13306707 2.14319143 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 623-36-9 12177 251919927 F 2-Methylpent-2-enal CC(=CCC)C=O Tox21_303885 -NCGC00163774-04 196724032 tox21-ror-cho-viability-p1 set3 4 0.0015903457 8.907961688 -8.907961688 0 4.5044702849 0.4807715572 0.2168887116 -7.00663474 -0.68111555 -1.31420734 -2.66007176 -1.36703583 1.21845791 2.84439015 0.05755239 -2.694924 0.26053414 -0.69954262 -1.74648213 2.60527921 3.49365118 -3.58163261 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00260313-01 196724035 tox21-ror-cho-viability-p1 set3 -2.4 15.3396894052 -21.253284296 -1.5 -22.753284296 1.4641 0.7661307466 0.0150400973 -9.02095198 -1.06609576 -3.1357357 -1.87221538 1.07979858 -3.71585735 1.54046164 -1.07234157 -0.66009643 1.94483623 -0.67296035 -14.50326313 -8.13620599 -22.29440358 -20.28380647 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008241 0.000018429999999 0.00004121 0.00009214 68937-41-7 75628 144209964 F F Triisopropylated phenyl phosphate CC(C)c1ccc(cc1)OP(=O)(Oc2ccc(cc2)C(C)C)Oc3ccc(cc3)C(C)C Tox21_202766 -NCGC00357196-01 196724038 tox21-ror-cho-viability-p1 set3 4 0.0007304824 16.007597368 -7.507597368 8.5 1.0999999999 0.6228994084 0.0815187183 -6.25633114 4.11540049 0.93651348 5.00775713 8.48391161 8.29910501 9.26144225 9.20021798 5.52405754 9.086685 10.89990336 11.28858497 4.87539287 2.4704434 12.51284065 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 1163-19-5 14410 251919640 BDE-209 Brc2c(Oc1c(Br)c(Br)c(Br)c(Br)c1Br)c(Br)c(Br)c(Br)c2Br Tox21_303970 -NCGC00179673-03 196697864 tox21-ror-cho-viability-p1 set1 4 0.69895217 5.21892899 2.98816224 -0.56072443 -1.37527878 1.49555741 -0.99333439 2.24348817 -1.01186213 -1.21073999 0.42251648 -0.76300367 1.46687113 0.42610361 1.40923917 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54-42-2 5905 170465014 Ac Idoxuridine IC1=CN(C(=O)NC1=O)[C@H]2C[C@H](O)[C@@H](CO)O2 Tox21_110324_1 -NCGC00260401-01 196724920 tox21-ror-cho-viability-p1 set3 4 0.0154334145 5.0235735239 -2.0235735239 3 4.9549173134 0.3261851465 0.3451495134 -0.67754165 -5.43631127 1.31463313 -1.29703823 6.67508923 -0.09670921 3.2606812 1.65524178 0.72669636 4.9669055 5.14798715 -1.73029682 0.79679489 3.36120625 8.45711042 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.625E-8 1.481E-7 3.3129999999E-7 7.407E-7 0.000001656 0.000003704 0.000008281 0.00001852 0.000041409999999 0.000092589999999 614-39-1 66068 144210053 A Procainamide hydrochloride Cl.O=C(NCCN(CC)CC)c1ccc(N)cc1 Tox21_202855 -NCGC00357182-01 196724500 tox21-ror-cho-viability-p1 set3 4 2.4336516212 -5.052556784 3 -2.052556784 4.9549173134 0.3711593974 0.3012489711 -1.68281894 -1.44812845 3.38090387 1.71290835 2.32915705 3.9322776 5.17094341 9.49550878 0.56113482 6.47843978 -6.29379732 -2.46688483 -1.44472576 -1.12174272 -0.19015709 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5977-14-0 80077 251919747 A 3-Oxobutanamide CC(=O)CC(N)=O Tox21_303947 -NCGC00357174-01 196724903 tox21-ror-cho-viability-p1 set3 4 -4.10144934 4.49842133 4.15119629 -9.72263935 -3.11878671 -1.37605639 -5.89167729 -2.07139353 -1.43356367 -5.88556993 -0.94664961 -6.23745524 -1.96470845 -1.64763195 5.9503199 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21679-31-2 91759531 251919886 F Chromium(III) acetylacetonate C\C(=[O+]\[Cr](\[O+]=C(\C)[CH-]C(C)=O)\[O+]=C(\C)[CH-]C(C)=O)[CH-]C(C)=O Tox21_303935 -NCGC00163906-02 196724927 tox21-ror-cho-viability-p1 set3 4 0.0172289341 10.11644376 -8.11644376 2 4.9549173134 0.7541786522 0.0183788505 -10.9303698 -8.3482689 -4.25378061 -7.93863221 3.69686457 5.42824224 2.07554568 1.56762539 -2.17054678 2.09964528 2.49012172 0.82740222 -1.86278452 1.71611386 5.51534887 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00253587-01 196725323 tox21-ror-cho-viability-p1 set3 4 4.44990333 3.85538134 -1.37614783 4.53369453 8.82638708 8.58323107 2.82475934 1.88478091 8.05372762 0.68452164 9.2752237 -2.72087418 6.8986683 -5.30005339 2.36413453 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 184036-34-8 216235 170465720 F B Sitaxentan O=C(Cc1cc2OCOc2cc1C)c3sccc3S(=O)(=O)Nc4onc(C)c4Cl Tox21_113725 -NCGC00179665-04 196725333 tox21-ror-cho-viability-p1 set3 -2.4 33.4914596268 -29.804318232 1.5 -28.304318232 4.9549173134 0.8462290333 0.0025315278 -2.89350968 -2.93592525 2.61301709 3.31545814 0.70146084 4.11459775 1.56177865 -1.86363558 2.83557905 5.42722408 -1.70319073 3.48298632 0.38327536 1.82893632 -23.58693186 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17230-88-5 28417 170464884 A Danazol C#C[C@]3(O)CC[C@H]2[C@@H]4CCC1=Cc5oncc5C[C@]1(C)[C@H]4CC[C@@]23C Tox21_112114_1 -NCGC00164541-03 196725334 tox21-ror-cho-viability-p1 set3 4 18.8336317891 -20.6540100479 6.5 -14.1540100479 2.7202212143 0.7017441889 0.0373912474 4.50260879 0.47431101 2.5911506 5.22755079 1.24203491 5.3624935 11.45667868 9.38079366 11.57953064 11.43014511 5.02845785 8.76364502 5.08757346 -5.58697588 -12.21167504 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 547-44-4 11033 170466277 A Sulfacarbamide Nc1ccc(cc1)S(=O)(=O)NC(N)=O Tox21_112170_1 -NCGC00090952-07 196725335 tox21-ror-cho-viability-p1 set3 4 1.32613969 -7.31655354 1.52610586 -1.39392654 7.49627973 -1.40888392 -1.00720683 -0.76839541 -4.78578157 -8.06551815 -2.61510015 -2.05163933 -2.55241914 -1.15394955 -2.29810074 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00164512-02 196725734 tox21-ror-cho-viability-p1 set3 4 0.59078221 -4.22031684 -2.40542999 -1.48630941 1.15832079 -5.75181572 -0.33109405 -1.37154128 -4.44153258 -1.34363782 2.11275261 -0.72961203 1.16655146 -4.44328815 0.57766331 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 553-17-3 11104 170465684 A Guaiacol carbonate COc2ccccc2OC(=O)Oc1ccccc1OC Tox21_112147_1 -NCGC00160400-02 196725736 tox21-ror-cho-viability-p1 set3 4 0.0118832183 5.952546572 -0.452546572 5.5 4.9549173134 0.3827432945 0.2896512736 -1.46727987 1.0158911 -1.40569711 -0.54036523 3.59640463 7.99439404 9.46484437 10.58553662 -2.04378881 5.15362449 1.21776401 9.97782416 6.77306438 2.02718171 3.04763286 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17289-49-5 28446 170466070 A Tetridamine CNc1c2CCCCc2nn1C Tox21_111789_1 -NCGC00262934-01 196725740 tox21-ror-cho-viability-p1 set3 4 0.0059557173 12.61680068 0.38319932 13 1.21 0.3938518757 0.2941983081 -0.0973339 3.07249579 4.69674654 6.49428121 9.79990979 6.61319075 19.73977907 13.64987248 18.43159954 20.55857849 8.5710945 16.63573642 0.32116825 8.34278307 6.65743125 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53786-45-1 104609 170466717 B F Ethyl 4-(2-amino-4-chloroanilino)piperidine-1-carboxylate Clc2ccc(NC1CCN(CC1)C(=O)OCC)c(N)c2 Tox21_113929 -NCGC00255727-01 196728321 tox21-ror-cho-viability-p1 set3 4 -4.39903284 -2.27889133 -0.48650145 -0.51067779 1.31158423 2.47088855 0.3876652 -0.56093667 3.01074804 -0.77819134 1.79696001 0.56384736 -2.14252403 -4.03699797 -1.13562183 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7491-74-9 4843 144212307 A A Piracetam O=C1CCCN1CC(=O)N Tox21_301990 -NCGC00255429-01 196727909 tox21-ror-cho-viability-p1 set3 -2.4 25.6224097979 -31.5959255439 1.5 -30.0959255439 4.9549173134 0.8962900261 0.0003876319 0 -1.27708827 2.61735465 -0.62984487 -2.52930667 3.99987475 3.65617848 1.2609876 5.67777284 0.74095356 2.47046234 -2.42713603 1.13896195 0.36966271 -26.74660462 4.719E-10 1.055E-9 2.359E-9 5.276E-9 1.18E-8 2.638E-8 5.899E-8 1.3189999999E-7 2.949E-7 6.595E-7 0.000001475 0.000003297 0.0000073729999999 0.000016489999999 0.00003687 26027-38-3 24773 144212450 F F Nonoxynol CCCCCCCCCc1ccc(OCCOCCO)cc1 Tox21_302133 -NCGC00259296-01 196706737 tox21-ror-cho-viability-p1 set1 4 0.0274727179 -6.2379885839 6 -0.2379885839 1.21 0.3483333569 0.3385542303 6.4195502 5.07528927 4.358758 6.88437823 1.97758316 -0.27495075 0.53277559 3.44930043 -6.44832382 7.94454814 -1.20672563 -0.29086063 -5.9417274 1.17871536 3.92839335 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.629E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008287 0.00001853 0.000041429999999 0.00009265 89-25-8 4021 144208945 A C 1-Phenyl-3-methyl-5-pyrazolone O=C2CC(C)=NN2c1ccccc1 Tox21_201747 -NCGC00091499-05 196706325 tox21-ror-cho-viability-p1 set1 4 1.23676859 -6.00295766 2.97727399 -7.26506682 -1.02546785 -0.61771123 -9.94372758 -3.5523848 2.59200736 -8.12042635 0.72633292 0.26426714 -0.9993238 -0.43468044 2.8364938 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00259130-01 196706327 tox21-ror-cho-viability-p1 set1 4 2.9333961287 12.627938976 -15.127938976 -2.5 4.9549173134 0.5964842011 0.0994030131 -19.09082386 -15.60325183 -17.46132765 -19.27328248 -7.43366993 -9.64990046 -14.39806178 -12.19060885 -16.52058111 -18.77171443 -5.55735637 6.49666629 -2.53471702 -11.89692779 -1.48835051 1.1379999999E-9 2.544E-9 5.689E-9 1.2719999999E-8 2.844E-8 6.36E-8 1.422E-7 3.18E-7 7.111E-7 0.00000159 0.000003556 0.0000079509999999 0.00001778 0.00003975 0.00008889 7757-79-1 24434 144208779 Potassium nitrate [K+].[O-][N+]([O-])=O Tox21_201581 -NCGC00259478-01 196706329 tox21-ror-cho-viability-p1 set1 4 0.0205480645 10.31980688 -9.81980688 0.5 4.9549173134 0.5267550406 0.155104836 -7.14951018 -7.82224604 -11.40680546 -13.1831724 0.29363648 -4.54242443 1.72959813 3.28222932 1.79789714 -10.07606841 7.70816843 0.04612237 0.53280675 -2.97784274 4.18902176 1.128E-9 2.523E-9 5.641E-9 1.2609999999E-8 2.821E-8 6.307E-8 1.4099999999E-7 3.153E-7 7.0509999999E-7 0.0000015769999999 0.0000035259999999 0.000007884 0.00001763 0.00003942 0.000088139999999 78-82-0 6559 144209127 FNS 2-Methylpropanenitrile CC(C)C#N Tox21_201929 -NCGC00090760-08 196706741 tox21-ror-cho-viability-p1 set1 -2.2 30.4510110097 -40.0376279718 1.3980162565 -38.6396117153 1.6258976909 0.9531860042 0.0000058671 3.71090979 2.36394945 0.52868594 2.55968212 0.70094987 -0.13309686 0.79233218 -0.35357437 4.1577026 0 1.44783677 -6.8770077 -9.96181414 -19.35189731 -37.88197227 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00257030-01 196707149 tox21-ror-cho-viability-p1 set1 4 -0.79271244 -10.48083736 1.02958169 -0.38069729 -17.82952187 -5.25686558 -11.32425568 -8.63378912 -6.80449344 -9.72948582 -9.74098752 -6.3965025 -9.84997959 -6.60338448 -0.63296815 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-69-0 8069 144213492 Butanal oxime CCC\C=N/O Tox21_303175 -NCGC00256587-01 196707153 tox21-ror-cho-viability-p1 set1 -2.4 34.3762428541 -23.413833896 1.5 -21.913833896 4.9549173134 0.9443253048 0.000015175 3.46366831 -0.56334836 -0.20939385 -0.39301599 1.39299103 1.27010882 0.73308803 2.59234366 2.54885201 1.65942724 0.41451362 0.49116249 4.8062764 -17.67447839 -21.59486158 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 304-28-9 9352 144213181 A A 2,7-Acetylaminofluorene CC(=O)Nc1ccc2c3ccc(cc3Cc2c1)NC(C)=O Tox21_302864 -NCGC00168342-02 196707157 tox21-ror-cho-viability-p1 set1 4 -4.64592032 4.64892317 5.33538605 0.10962783 -4.41055563 3.12725058 11.17813731 -3.60738949 4.12302653 3.15039996 0.79522716 4.60948071 1.8847811 2.24525948 0.4252218 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00258080-01 196730030 tox21-ror-cho-viability-p1 set3 4 -0.25367461 1.2285368 0.28541637 -4.40527421 1.30321361 -4.37699213 -3.44410307 0.09621795 0.3503737 -2.33644652 -2.85248109 -0.37068337 -1.0758683 2.11564774 2.72156839 1.149E-9 2.569E-9 5.744E-9 1.284E-8 2.872E-8 6.422E-8 1.436E-7 3.211E-7 7.1799999999E-7 0.000001606 0.0000035899999999 0.000008028 0.00001795 0.00004014 0.00008975 629-08-3 12372 144207724 A A Heptanenitrile CCCCCCC#N Tox21_200526 -NCGC00257618-01 196729610 tox21-ror-cho-viability-p1 set3 4 -6.39038891 -4.58527051 -6.26180097 -6.00172767 2.46625241 0.60113281 -3.42862411 2.85858561 0 0 -3.72576399 0 -12.69553435 -4.74724493 -9.13093702 1.156E-9 2.585E-9 5.781E-9 1.293E-8 2.8899999999E-8 6.463E-8 1.4449999999E-7 3.231E-7 7.226E-7 0.000001616 0.000003613 0.000008079 0.000018059999999 0.00004039 0.000090319999999 9005-67-8 22833389 144207262 D A Polysorbate 60 OCCO[C@H]1CO[C@@H]([C@@H]1OCCO)[C@H](O)COC(=O)CCCCCCCCCCC Tox21_200064 -NCGC00258239-01 196730007 tox21-ror-cho-viability-p1 set3 4 15.4646773267 -12.7684059519 -0.5 -13.2684059519 1.0999999999 0.6402244922 0.0704130474 1.71096068 -3.23123542 -4.4936761 0.75399985 1.19038238 1.43035253 -1.07705587 -1.09279856 -0.51614139 0 -8.63665568 0 -7.48728434 -13.55700496 -9.7097111 1.187E-9 2.653E-9 5.9329999999E-9 1.327E-8 2.966E-8 6.633E-8 1.4829999999E-7 3.316E-7 7.416E-7 0.0000016579999999 0.000003708 0.000008291 0.00001854 0.00004145 0.0000927 102-16-9 60999 144207883 A A Benzyl phenylacetate O=C(OCc1ccccc1)Cc2ccccc2 Tox21_200685 -NCGC00258250-01 196730020 tox21-ror-cho-viability-p1 set3 4 4.7768716944 -9.6546488199 0.5 -9.1546488199 4.0949729863 0.8143841251 0.008399907 1.80143238 1.17199175 0.42427482 0.13115663 -1.06552599 0.61393116 0.56320462 0.83278999 0.51240028 -0.64116457 -1.71835069 -7.95464672 -13.46220735 -4.73382701 -0.42234433 1.164E-9 2.6039999999E-9 5.822E-9 1.302E-8 2.911E-8 6.509E-8 1.4549999999E-7 3.254E-7 7.2769999999E-7 0.0000016269999999 0.000003639 0.000008136 0.00001819 0.00004068 0.000090959999999 506-59-2 10473 144207894 N-Methylmethanamine hydrochloride Cl.CNC Tox21_200696 -NCGC00257550-01 196701173 tox21-ror-cho-viability-p1 set1 4 -2.74046575 0.71341313 -4.01396233 -1.31032032 -0.57615475 1.17482151 -1.20460064 1.61565186 -0.98694744 -2.55445365 -1.07614304 1.54621278 -1.84636234 -2.94236662 1.67651458 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7149-79-3 23537 144212506 A A N-(3-Chloro-4-methylphenyl)acetamide Cc1ccc(NC(C)=O)cc1Cl Tox21_302189 -NCGC00255780-01 196700350 tox21-ror-cho-viability-p1 set1 4 -13.56829262 -5.18062117 1.45259908 -3.78574803 -15.38596686 2.87015557 -2.16079825 -3.9701565 -4.31403424 0.82127608 -1.19670887 -1.16500826 -6.52302303 -2.31431643 5.45486668 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5471-51-2 21648 144211776 A A 4-(4-Hydroxyphenyl)butan-2-one Oc1ccc(CCC(C)=O)cc1 Tox21_301459 -NCGC00255448-01 196700352 tox21-ror-cho-viability-p1 set1 4 2.06020066 0.09650667 -0.01089807 1.40987606 -0.42403575 1.34877003 2.59804678 -1.26304947 -1.70959763 0.64457746 -2.7249024 0.1238542 3.40196091 4.49179885 -4.57419248 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 64-00-6 6143 144212323 A A m-Cumenyl methylcarbamate O=C(Oc1cc(ccc1)C(C)C)NC Tox21_302006 -NCGC00255644-01 196700766 tox21-ror-cho-viability-p1 set1 -1.1 30.6378586933 -74.4418107811 -0.6544913129 -75.096302094 4.5044702849 0.9867821175 4.3E-9 -3.12025544 -0.96540712 0.45733152 -2.03171963 0.40465965 -2.40130068 -2.92598633 1.03585245 0.71064427 3.10457747 0.04812618 -0.66883899 -7.42958346 -58.68462038 -83.44033566 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2026-24-6 62418 144212616 A A Dehydroabietylamine acetate CC(=O)O.CC(C)c2cc3CC[C@@H]1[C@](C)(CCC[C@@]1(C)CN)c3cc2 Tox21_302299 -NCGC00255158-01 196701175 tox21-ror-cho-viability-p1 set1 4 43.2771256911 -15.3554202481 -3.5682500839 -18.923670332 0.4 0.473681496 0.2218191256 -5.46846651 -1.30687507 -2.57747522 -7.60739643 -4.70455104 -7.49871023 -7.40463959 -3.78990011 -3.76248118 -9.40124166 -4.77584149 -6.39559851 -9.55978094 -14.10305861 -3.09365959 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-27-3 6525 144212423 A B 1-Ethynylcyclohexanol C#CC1(O)CCCCC1 Tox21_302106 -NCGC00256143-01 196701178 tox21-ror-cho-viability-p1 set1 4 4.66602082 3.02154275 2.01735453 2.83686404 0.39663895 3.84488419 3.88226331 5.00128563 1.02422049 5.88171073 2.90211066 1.33243526 3.20199125 -2.27789612 5.14943166 4.223E-10 9.444E-10 2.112E-9 4.7219999999E-9 1.056E-8 2.3609999999E-8 5.2789999999E-8 1.1799999999E-7 2.64E-7 5.9019999999E-7 0.00000132 0.0000029509999999 0.000006599 0.00001476 0.000032999999999 17465-86-0 5287407 144212620 Bc gamma-Cyclodextrin OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@@H]9[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O Tox21_302303 -NCGC00258030-01 196701583 tox21-ror-cho-viability-p1 set1 4 4.00811046 2.36409379 -1.60287583 3.23217696 1.50861093 -0.0273104 2.7708904 2.13709451 6.3976358 -1.39002817 -0.62411528 -1.1103135 1.21410228 3.54000252 -1.57643858 1.167E-9 2.608E-9 5.8329999999E-9 1.304E-8 2.9159999999E-8 6.521E-8 1.458E-7 3.26E-7 7.2909999999E-7 0.0000016299999999 0.000003645 0.0000081509999999 0.00001823 0.000040759999999 0.000091129999999 2948-46-1 18062 144207674 A A 1,4-Bis(2-hydroxy-2-propyl)benzene OC(C)(C)c1ccc(cc1)C(C)(C)O Tox21_200476 -NCGC00344523-01 196697878 tox21-ror-cho-viability-p1 set1 4 0.0059557173 5.220466412 -2.220466412 3 3.9294729863 0.4067105146 0.2685987015 -0.08851754 -1.31913561 -5.18372201 1.39587503 2.37951168 3.99493266 -2.64832041 4.46361021 2.92004622 -0.06350954 3.5869668 7.43877069 2.58273372 2.03791656 3.79633651 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87-79-6 6904 170465548 Z L-(-)-Sorbose O[C@H](C(=O)CO)[C@H](O)[C@@H](O)CO Tox21_113100_1 -NCGC00166249-03 196697866 tox21-ror-cho-viability-p1 set1 -2.2 11.8832183006 -39.820595996 0.5 -39.320595996 0.7999999999 0.94181985 0.0000191929 -0.79932209 1.07781151 0.28147631 -0.47512197 1.25855382 -0.79824024 1.70388684 3.16564054 -2.16659568 -8.91576833 -8.00713281 -10.41581174 -16.93606412 -19.50525656 -32.76716333 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15905-32-5 3259 170465719 A Erythrosin B Ic4c5Oc1c(I)c(O)c(I)cc1C3(OC(=O)c2ccccc23)c5cc(I)c4O Tox21_113464_1 -NCGC00159419-04 196697867 tox21-ror-cho-viability-p1 set1 4 -1.3334183 0.51467059 -0.5210265 -0.43693954 -0.60534853 0.69685168 1.25939287 6.07796109 0.95067342 -0.86793276 -0.54726427 -1.14139878 -1.62378591 0.30203098 5.22587801 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-44-3 2294 170465829 A Barbital O=C1NC(=O)NC(=O)C1(CC)CC Tox21_111650_1 -NCGC00183828-01 196697873 tox21-ror-cho-viability-p1 set1 4 1.51993301 -0.75073919 2.73934626 -4.48896971 -0.42926522 2.18316631 -0.39614779 1.89885646 1.68265826 4.49266651 0.83061731 1.131851 -0.56744443 1.57691697 1.46989634 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3818-37-9 71467 144206870 Ac F Phenoxypropazine CC(COc1ccccc1)NN Tox21_113319 -NCGC00255850-01 196728178 tox21-ror-cho-viability-p1 set3 4 -0.12866556 -0.16677281 1.02008089 0.07365164 9.77144175 4.8844652 2.90914237 3.2244581 7.48361904 11.1020676 7.25133604 0.4058567 -1.12668699 -0.88895604 -0.10674011 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18854-01-8 29307 144212526 A A Isoxathion S=P(Oc1cc(on1)c2ccccc2)(OCC)OCC Tox21_302209 -NCGC00256625-01 196727751 tox21-ror-cho-viability-p1 set3 4 -1.56884802 -5.84376719 -4.52073126 -6.72347658 -2.78799317 -6.06793207 -20.20037779 0.3741161 -19.28986907 -19.11765786 -14.25546435 2.44931228 -6.63089907 -7.05224539 -4.51602027 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-61-2 66678 144212823 A Ac 6-Methyl-1,2,3,4-tetrahydroquinoline Cc1ccc2NCCCc2c1 Tox21_302506 -NCGC00256842-01 196727759 tox21-ror-cho-viability-p1 set3 4 1.85179707 3.70618636 2.41552696 -0.37500432 1.65313223 3.04653073 1.17274452 5.63173738 -1.43444607 -1.94015099 -0.01776426 4.05849054 2.35415531 1.15996854 -0.23795138 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13466-78-9 26049 144212949 Fns 3-Carene CC2(C)C1CC=C(C)CC12 Tox21_302632 -NCGC00256105-01 196728176 tox21-ror-cho-viability-p1 set3 4 0.51822994 5.23325575 -0.79221804 -2.49330795 -0.43776941 0.17546082 -0.87706757 -4.04366754 1.58440212 -2.58291231 -0.01006518 -4.49687426 -0.64836201 -0.34203081 4.37360712 1.109E-9 2.4799999999E-9 5.5449999999E-9 1.2399999999E-8 2.772E-8 6.199E-8 1.3859999999E-7 3.1E-7 6.931E-7 0.00000155 0.000003465 0.000007749 0.00001733 0.00003874 0.00008664 75359-31-8 60196427 144212147 Fns Ditridecyl phthalate (mixture of branched chain isomers) CC(C)CC(C)CC(C)CC(C)COC(=O)c1ccccc1C(=O)OCC(C)CC(C)CC(C)CC(C)C Tox21_301830 -NCGC00256240-01 196728579 tox21-ror-cho-viability-p1 set3 -1.2 4.9110355815 -52.0082922635 0.9293052169 -51.0789870466 1.92824246 0.9666233861 8.875E-7 2.3134037 -2.22547015 4.75483354 7.90508483 -1.16899342 2.37507915 2.88849937 -6.18637345 -2.99222093 0.00488422 -5.81234654 -30.45215839 -40.83043701 -46.03826671 -53.50881083 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 0.0000010299999999 0.000002304 0.000005152 0.00001152 0.00002576 0.0000576 15905-32-5 3259 144211951 Erythrosin B Ic4c5Oc1c(I)c(O)c(I)cc1C3(OC(=O)c2ccccc23)c5cc(I)c4O Tox21_301634 -NCGC00164127-03 196726168 tox21-ror-cho-viability-p1 set3 -2.1 54.4826732819 -113.8373200551 3.7969076631 -110.040412392 3.1319983358 0.9590088076 0.000002806 -5.77893528 1.9023985 -0.84792457 0.29194487 1.91362399 2.81703462 9.78551477 16.78273243 0.59868298 9.99348949 3.17468647 4.86862652 0.41097166 -30.2365286 -91.70034366 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00163128-08 196726151 tox21-ror-cho-viability-p1 set3 3 33.4914596268 35.619897388 2.380102612 38 4.9549173134 0.8589424925 0.0016996834 2.40811984 0.73324602 -0.83537206 -1.63337221 5.5044511 -2.59991449 1.72092916 6.44901324 -0.02292158 8.59148098 3.51166584 5.68519248 2.78510172 5.83591421 32.5409425 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112529-15-4 60560 170465116 A Pioglitazone hydrochloride Cl.CCc1ccc(nc1)CCOc3ccc(CC2SC(=O)NC2=O)cc3 Tox21_111440_1 -NCGC00091414-07 196726162 tox21-ror-cho-viability-p1 set3 4 0.0007497804 12.804961876 -12.804961876 0 4.9549173134 0.3545007675 0.3170787166 -9.83746823 0 3.84238246 3.56715029 -0.78504455 -5.37374672 3.31038228 -7.56015294 -1.88725471 -1.52952107 2.11174361 3.23998763 -2.87867212 1.92200773 -0.36154529 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 65-45-2 5147 170465496 A Salicylamide O=C(N)c1ccccc1O Tox21_111129_1 -NCGC00183004-01 196726166 tox21-ror-cho-viability-p1 set3 4 0.0059557173 10.848411728 -5.348411728 5.5 4.0949729863 0.3924882709 0.2789724333 -4.79053491 -8.62367644 -1.45366197 0.13187666 9.17192138 12.65556099 7.969534 -5.47919995 10.80922974 -2.44826208 12.3831549 4.22072545 -1.85402209 6.83074801 5.99876256 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 114417-20-8 23684123 144206835 Fns Fns Alilusem potassium [K+].Cc1ccccc1C(=O)N3CC/C(=N\OS([O-])(=O)=O)c2ccc(Cl)cc23 Tox21_113284 -NCGC00017257-14 196726172 tox21-ror-cho-viability-p1 set3 2.4 37.5780357627 26.05821602 1.94178398 28 4.9549173134 0.7092259545 0.0341895902 0.48876106 -2.54851335 -0.82986267 2.81570307 2.53875789 3.19178753 3.36377772 1.87106513 -2.53860846 11.74224072 0.89325564 1.99865123 3.7083481 1.81794574 22.49885121 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17692-51-2 28693 170466571 A Metergoline O=C(OCc1ccccc1)NC[C@@H]3C[C@@H]4c5cccc2c5c(cn2C)C[C@H]4N(C)C3 Tox21_110808_1 -NCGC00256890-01 196726567 tox21-ror-cho-viability-p1 set3 4 4.34774172 3.57594169 -1.68852681 -2.0719807 -5.2691089 -1.95825032 -2.31721043 0.20456611 -3.25684944 -1.40494714 -0.17721167 -5.52901746 -4.58596223 -3.13071836 -2.47078845 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 541-47-9 10931 144212792 B 3,3-Dimethylacrylic acid C\C(C)=C/C(=O)O Tox21_302475 -NCGC00257000-01 196726571 tox21-ror-cho-viability-p1 set3 4 -1.27510318 -1.87349799 0.17328362 -1.53560492 -23.39936601 -2.27955985 -22.51541362 -9.17972236 -3.86788392 -3.22977593 -6.83411977 -0.67569586 0.2929129 8.80077762 2.38734741 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 127-17-3 1060 144213601 Fns 2-Oxopropanoic acid CC(=O)C(=O)O Tox21_303284 -NCGC00259349-01 196709223 tox21-ror-cho-viability-p1 set2 4 -3.42513099 -2.02976488 1.88006234 -0.20347606 4.42259897 2.40874106 -0.34222295 -0.3256533 3.70621744 1.56429014 0.03566177 1.88517467 4.14429361 1.68620367 5.09104992 1.204E-9 2.693E-9 6.0219999999E-9 1.346E-8 3.011E-8 6.732E-8 1.5049999999E-7 3.366E-7 7.527E-7 0.000001683 0.0000037639999999 0.0000084149999999 0.00001882 0.00004208 0.00009409 85-41-6 6809 144208998 A A Phthalimide O=C1NC(=O)c2ccccc12 Tox21_201800 -NCGC00259486-01 196709211 tox21-ror-cho-viability-p1 set2 4 3.64030955 -1.63261425 1.73723689 -0.13739841 0.23233105 2.92476584 1.67211886 3.55687066 3.60724965 2.18584161 2.47714595 6.79053156 3.20740477 0.44734221 3.45675277 1.193E-9 2.667E-9 5.9649999999E-9 1.3339999999E-8 2.982E-8 6.669E-8 1.491E-7 3.3339999999E-7 7.456E-7 0.0000016669999999 0.000003728 0.000008336 0.00001864 0.00004168 0.0000932 50-70-4 5780 144209135 D-Glucitol O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)CO Tox21_201937 -NCGC00259367-01 196709217 tox21-ror-cho-viability-p1 set2 4 8.4246021584 8.198972484 -0.198972484 8 1.1340999999 0.726087461 0.0280532012 -0.55281147 -4.33247707 0.4715338 3.7786941 1.0538512 -0.96166063 0.15094531 0.32104067 0.06661504 -0.13490943 3.50016575 3.09093667 5.46462014 7.28035487 7.07130628 1.156E-9 2.586E-9 5.7819999999E-9 1.293E-8 2.891E-8 6.465E-8 1.446E-7 3.232E-7 7.228E-7 0.000001616 0.0000036139999999 0.000008081 0.000018069999999 0.000040409999999 0.000090349999999 138-86-3 22311 144209016 FC Limonene CC1=CCC(CC1)C(C)=C Tox21_201818 -NCGC00259033-01 196709221 tox21-ror-cho-viability-p1 set2 4 -7.55878316 2.01351305 -8.00054931 -3.12634955 1.43288962 -6.8747734 0.98883614 -5.2402923 -2.43747237 -3.45759318 0.51031275 0.98889472 -1.39491525 -0.97535924 2.38721287 1.2319999999E-9 2.755E-9 6.161E-9 1.378E-8 3.08E-8 6.8879999999E-8 1.54E-7 3.444E-7 7.7009999999E-7 0.000001722 0.000003851 0.0000086099999999 0.00001925 0.000043049999999 0.00009626 111-49-9 8119 144208680 A Fns Hexamethyleneimine C1CCCCCN1 Tox21_201482 -NCGC00259756-01 196709624 tox21-ror-cho-viability-p1 set2 4 -0.24222915 0.26081182 -0.89649281 -0.02509954 -1.35413913 -2.43156692 -1.21023195 -0.0961493 -1.5850296 0.78082355 -0.0127533 -0.34301144 -2.65857277 -1.80694755 0.70985024 1.218E-9 2.7239999999E-9 6.092E-9 1.3619999999E-8 3.046E-8 6.811E-8 1.5229999999E-7 3.405E-7 7.6139999999E-7 0.000001703 0.0000038069999999 0.000008513 0.000019039999999 0.00004257 0.00009518 590-17-0 11534 144209405 B A Bromoacetonitrile BrCC#N Tox21_202207 -NCGC00257386-01 196707586 tox21-ror-cho-viability-p1 set1 4 52.7765015603 -13.520784292 1 -12.520784292 3.9899729863 0.4020509974 0.2707988285 3.01523089 2.69443042 2.59713711 -10.43398691 1.33338774 -1.86302775 -1.34563361 2.94987272 2.01753066 2.85519685 5.29536311 3.33780593 1.15246672 -1.56856353 -10.38720939 1.044E-9 2.335E-9 5.22E-9 1.167E-8 2.61E-8 5.8369999999E-8 1.305E-7 2.918E-7 6.5249999999E-7 0.000001459 0.000003263 0.000007296 0.000016309999999 0.000036479999999 0.000081569999999 96-83-3 3735 144213787 A A Iopanoic acid Ic1cc(I)c(N)c(I)c1CC(CC)C(=O)O Tox21_303477 -NCGC00257138-01 196707162 tox21-ror-cho-viability-p1 set1 4 0.11436417 0.90989549 3.35396474 -10.03773342 4.78733019 0.98372085 -4.96914616 -0.11261178 7.67589835 -1.13261178 -3.79248946 5.05193036 2.51431624 6.25907508 8.69169046 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 156-43-4 9076 144213651 A B 4-Ethoxyaniline CCOc1ccc(N)cc1 Tox21_303334 -NCGC00257173-01 196707165 tox21-ror-cho-viability-p1 set1 4 -0.08360093 0.03316319 0.24500309 -1.30547618 0.10243393 2.04367388 1.03308667 -0.66606889 0.49070997 -0.86325794 4.52294841 -0.24696269 0.54015696 4.2732855 7.70327409 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 51-17-2 5798 144213638 A A Benzimidazole c1cccc2ncnc12 Tox21_303321 -NCGC00257346-01 196707169 tox21-ror-cho-viability-p1 set1 4 7.6958821542 6.583773232 -0.083773232 6.5 4.9549173134 0.4887906784 0.1898866823 7.30725141 4.43128619 1.33211168 -2.85056544 -1.36306071 -0.47291759 -3.40314436 0.00556133 -2.68158594 -0.84985397 -1.17407446 3.69495882 6.40858345 8.40892001 5.00988857 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 2835-39-4 17816 144213684 Fns Allyl isovalerate CC(C)CC(=O)OCC=C Tox21_303369 -NCGC00257477-01 196707980 tox21-ror-cho-viability-p1 set1 4 34.3762428541 -19.5376093599 1.5 -18.0376093599 1.752947691 0.9017938281 0.0002971392 0.74647688 -0.43443291 2.90093225 0.30437184 0.96422322 2.4015547 0.18018813 3.43986994 0.20671426 3.735401 1.41437188 1.52465129 -5.97594704 -7.21897262 -16.6980078 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 132-32-1 8588 144213853 A A 3-Amino-9-ethylcarbazole Nc2cc3c1ccccc1n(CC)c3cc2 Tox21_303548 -NCGC00257320-01 196707981 tox21-ror-cho-viability-p1 set1 4 -8.64454087 -7.6043564 -7.81441654 -17.38460728 -6.30844918 -12.90484786 -13.96441053 -7.75932897 -6.64663811 -16.98974837 -13.04837643 -5.55132439 -8.62550528 -12.57590474 -7.42411525 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-06-8 7076 144213835 A A 1,1':3',1''-Terphenyl c1cc(ccc1)c2cccc(c2)c3ccccc3 Tox21_303528 -NCGC00256834-01 196707985 tox21-ror-cho-viability-p1 set1 4 6.49200996 -0.70819897 2.18500071 -1.0326623 1.50906661 5.40491087 4.47982766 1.53251909 6.9565076 0.92651123 2.29202596 5.39878241 1.66930114 1.70428599 -1.53432806 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13678-68-7 61660 144212803 A F S-Furfuryl thioacetate O=C(C)SCc1ccco1 Tox21_302486 -NCGC00256362-01 196707989 tox21-ror-cho-viability-p1 set1 4 -4.72752325 -6.55496607 -0.44543471 -16.80155018 -0.00172524 0.12378338 -1.41502422 -8.09332813 -7.83549541 -2.71296626 0.1102259 5.88340109 -0.54546183 -0.12625083 -0.10160689 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-29-3 6837 144213171 A A Diphenylacetonitrile N#CC(c1ccccc1)c2ccccc2 Tox21_302854 -NCGC00256489-01 196707992 tox21-ror-cho-viability-p1 set1 4 5.09207351 5.45028069 2.61447142 -2.15194879 0.90633382 3.64505794 6.74265761 4.08904954 3.74214915 0.18355878 -0.13510629 4.35936155 0.49338295 4.50461563 3.04327759 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-94-1 7967 144213067 Ac Cyclohexanone O=C1CCCCC1 Tox21_302750 -NCGC00274080-01 196704893 tox21-ror-cho-viability-p1 set1 4 0.6124882 2.93719724 0.09783491 0.24794555 1.12955419 0.27764937 0.84135699 0.43626174 3.38613151 -0.20443594 0.66767691 0.00756678 1.33304168 -0.14456398 0.75222798 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-27-1 5756 170465807 A Estriol Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)[C@H](O)C[C@@H]12)c4cc3 Tox21_112320_1 -NCGC00257795-01 196702430 tox21-ror-cho-viability-p1 set1 4 2.33397809 1.92085408 0.37063256 7.04327726 1.83611192 -0.08532368 12.28583546 -1.35333058 5.67431584 1.54348076 2.42677503 0.09025511 2.21820294 2.62067723 1.68525053 1.1759999999E-9 2.63E-9 5.8799999999E-9 1.315E-8 2.94E-8 6.574E-8 1.4699999999E-7 3.2869999999E-7 7.35E-7 0.000001643 0.0000036749999999 0.000008217 0.00001837 0.00004109 0.00009187 110-18-9 8037 144207439 F N,N,N',N'-Tetramethylethylenediamine CN(C)CCN(C)C Tox21_200241 -NCGC00257563-01 196702002 tox21-ror-cho-viability-p1 set1 4 0.0021601743 9.3199264519 -9.8199264519 -0.5 3.1319983358 0.4530304156 0.2240943604 -8.59993871 -3.7813896 -0.07199127 -0.7065648 0.17868946 -0.84781033 -3.15932209 -6.17306547 -0.08651383 1.13480364 1.14297919 -0.24050021 1.12317336 -3.48068567 4.42673155 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.571E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008214 0.00001837 0.00004107 0.00009184 944-22-9 13676 144207207 A A Fonofos S=P(Sc1ccccc1)(CC)OCC Tox21_200009 -NCGC00258762-01 196702008 tox21-ror-cho-viability-p1 set1 -3 66.2942866028 -50.2528400408 -1.5761960689 -51.8290361097 4.9549173134 0.933533597 0.0000391161 1.61958282 -5.98557593 0.16321738 -3.16199042 0.94887654 1.98950703 -4.97314425 3.04050346 -1.52793527 -5.93549991 -3.89635571 -1.58842494 -2.0121597 -5.29053717 -42.72145723 1.1469999999E-9 2.566E-9 5.7369999999E-9 1.2829999999E-8 2.868E-8 6.414E-8 1.434E-7 3.2069999999E-7 7.1709999999E-7 0.000001603 0.000003585 0.000008017 0.00001793 0.00004009 0.00008964 5613-46-7 79717 144208408 A A 4,4'-Propane-2,2-diylbis(2,6-dimethylphenol) Cc1cc(cc(C)c1O)C(C)(C)c2cc(C)c(O)c(C)c2 Tox21_201210 -NCGC00258681-01 196702424 tox21-ror-cho-viability-p1 set1 4 1.87288391 -0.05109811 2.34059527 3.08532159 0.27078512 -0.3309469 1.23291824 1.88067258 3.58187032 -0.1053639 2.53242814 2.05745068 -0.26918443 2.50621507 0.0690402 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003708 0.000008291 0.00001854 0.00004145 0.00009269 7493-63-2 24116 144208327 A A Allyl anthranilate Nc1ccccc1C(=O)OCC=C Tox21_201129 -NCGC00258647-01 196702432 tox21-ror-cho-viability-p1 set1 4 3.37240358 1.37851825 1.47516915 5.1154881 1.48337997 7.80313546 -2.1396314 2.85879728 8.63192084 3.4463456 -0.55545157 2.5545741 2.15537089 6.92962434 8.96707713 1.166E-9 2.608E-9 5.832E-9 1.304E-8 2.9159999999E-8 6.5199999999E-8 1.458E-7 3.26E-7 7.2899999999E-7 0.0000016299999999 0.000003645 0.00000815 0.00001822 0.00004075 0.00009112 870-72-4 2723822 144208293 A A Sodium hydroxymethanesulfonate [Na+].[O-]S(=O)(=O)CO Tox21_201095 -NCGC00258669-01 196702434 tox21-ror-cho-viability-p1 set1 4 9.2083878 2.70976378 1.23963849 3.04775941 -0.01476609 5.3296381 1.23118369 2.37517806 4.11071199 4.30455038 0.87794308 3.67415478 13.51344903 1.26237758 0.66268951 1.144E-9 2.5579999999E-9 5.72E-9 1.2789999999E-8 2.8599999999E-8 6.395E-8 1.4299999999E-7 3.1979999999E-7 7.1499999999E-7 0.0000015989999999 0.000003575 0.000007994 0.000017879999999 0.00003997 0.000089379999999 1663-39-4 15458 144208315 FNS tert-Butyl acrylate C=CC(=O)OC(C)(C)C Tox21_201117 -NCGC00258490-01 196702435 tox21-ror-cho-viability-p1 set1 4 0.0390026498 -21.861909296 0.5 -21.361909296 0.3 0.6095524504 0.0902930225 0.91287353 -13.80087527 -6.85227557 -10.33061336 -11.1727068 -10.95073498 -7.22355616 -13.31840084 -12.62543598 -18.0755934 -18.06832216 -19.14785002 -25.30159108 -16.17374206 -15.70447873 1.191E-9 2.664E-9 5.9569999999E-9 1.332E-8 2.978E-8 6.66E-8 1.489E-7 3.33E-7 7.446E-7 0.000001665 0.0000037229999999 0.0000083249999999 0.00001861 0.00004162 0.000093069999999 31138-65-5 23664054 144208134 A D-Gluco-heptonic acid, monosodium salt [Na+].O[C@H]([C@@H](O)[C@@H](O)C([O-])=O)[C@H](O)[C@H](O)CO Tox21_200936 -NCGC00257966-01 196702436 tox21-ror-cho-viability-p1 set1 -2.4 1.7334113137 -16.632848712 -3.639827612 -20.272676324 0.8999999999 0.7362329869 0.0305222987 -3.41381132 -4.52875489 -4.59774579 -4.67092043 -10.7380387 -0.2277238 -0.11652301 -3.87616369 -11.2696473 -7.47131443 -20.22723027 -19.36289724 -19.31582011 -15.50590671 -7.56190802 1.1859999999E-9 2.653E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001854 0.00004145 0.00009268 88-68-6 6942 144207610 A A 2-Aminobenzamide O=C(N)c1ccccc1N Tox21_200412 -NCGC00258513-01 196702438 tox21-ror-cho-viability-p1 set1 4 -8.22111885 -4.46320689 -6.79864745 3.13148085 -11.59704736 -5.31474277 -11.22835272 -10.53569563 -7.75670924 -10.30885569 -11.82022523 -10.92898866 -9.0767206 -8.75063801 -3.1351164 1.164E-9 2.603E-9 5.8199999999E-9 1.301E-8 2.91E-8 6.506E-8 1.4549999999E-7 3.253E-7 7.274E-7 0.0000016269999999 0.0000036369999999 0.0000081329999999 0.00001819 0.00004067 0.00009093 110-86-1 1049 144208158 FC Pyridine c1ccccn1 Tox21_200960 -NCGC00258303-01 196702832 tox21-ror-cho-viability-p1 set1 -1.1 15.5428804468 -87.0449626253 -2.189874614 -89.2348372393 2.7202212143 0.9710749485 3.942E-7 1.42476411 0.20198821 0.50320924 -4.20190357 -14.37245284 -6.58616616 -1.96356264 -2.38627598 -2.20440214 1.10015974 -2.93525094 -6.66214079 -64.98227359 -85.47398203 -83.23024785 1.1919999999E-9 2.6649999999E-9 5.959E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.331E-7 7.449E-7 0.0000016659999999 0.000003725 0.0000083279999999 0.00001862 0.00004164 0.00009312 85-60-9 6815 144207947 A A 4,4'-Butane-1,1-diylbis(2-tert-butyl-5-methylphenol) CC(C)(C)c1cc(c(C)cc1O)C(CCC)c2cc(c(O)cc2C)C(C)(C)C Tox21_200749 -NCGC00257940-01 196702837 tox21-ror-cho-viability-p1 set1 4 0.1686165205 -33.2865928079 6 -27.2865928079 0.2 0.6567178753 0.0602210567 1.78637816 -11.42948428 1.09237575 -9.16431051 -9.42896389 -9.13508433 -9.47439811 -17.29044653 -8.883311 -15.29413425 -11.51669007 -13.08818821 -22.73882734 -20.87409073 -19.12023926 1.159E-9 2.591E-9 5.793E-9 1.2949999999E-8 2.8969999999E-8 6.4769999999E-8 1.448E-7 3.238E-7 7.241E-7 0.0000016189999999 0.0000036209999999 0.000008096 0.0000181 0.000040479999999 0.00009052 99-09-2 7423 144207584 A A 3-Nitroaniline O=[N+]([O-])c1cccc(N)c1 Tox21_200386 -NCGC00090780-04 196728997 tox21-ror-cho-viability-p1 set3 4 -2.70134786 -6.14378619 5.76160421 0.13418281 0.04159694 5.91344046 6.18408185 2.07114238 -4.65650764 1.52698583 -8.14067518 6.76561644 -3.67296461 -0.02449732 -0.29122518 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00255690-01 196729006 tox21-ror-cho-viability-p1 set3 4 6.8589621897 23 6 29 0.7 0.6475751845 0.0773938379 9.56781128 12.26518555 7.1491771 2.69808866 6.6567202 6.82800881 13.74217887 8.26812721 11.57314307 3.56442031 16.8103888 22.32808179 19.87163571 23.18575514 0.67713908 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 83-05-6 6730 144211749 A A p,p'-DDA Clc1ccc(cc1)C(C(=O)O)c2ccc(Cl)cc2 Tox21_301432 -NCGC00255872-01 196728594 tox21-ror-cho-viability-p1 set3 4 -0.2989566 10.77618052 -2.71924893 -0.59975052 -0.91939742 0.24392416 0.73480335 -1.395738 -0.80419878 2.99916399 0.89795322 0.43007041 1.7271686 0.83352129 2.21801548 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-07-8 67322 144212406 A 2,2',2'',2'''-(1,2-Ethanediyldinitrilo)tetrakisethanol OCCN(CCN(CCO)CCO)CCO Tox21_302089 -NCGC00255824-01 196728598 tox21-ror-cho-viability-p1 set3 4 0.67096154 -2.07485895 2.67163922 0.90800633 -0.93928449 2.72548551 1.91239272 3.39594204 3.90154106 0.84599797 8.26330376 -1.05998182 -4.3557929 5.05071617 6.91361723 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67874-72-0 62240 144212205 A 2-(2-Methylbutan-2-yl)cyclohexyl acetate O=C(C)OC1CCCCC1C(C)(C)CC Tox21_301888 -NCGC00255740-01 196729007 tox21-ror-cho-viability-p1 set3 4 -0.08091015 2.9625275 4.0843909 0.57905366 -0.05711935 4.19778521 5.55354362 5.60702989 3.65638288 4.19317655 1.68871984 -1.19823723 -0.50934281 1.5540808 3.05754682 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2941-55-1 18055 144211674 A F Ethiolate CCN(CC)C(=O)SCC Tox21_301357 -NCGC00256126-01 196729010 tox21-ror-cho-viability-p1 set3 4 -1.0653957 -4.21748925 2.22250113 4.98846027 1.70215441 4.53383857 5.07124847 2.65837252 4.00049682 2.7552069 3.69798017 0.37700476 2.13431911 0.3597811 -0.94589112 6.465E-10 1.446E-9 3.232E-9 7.2279999999E-9 1.616E-8 3.614E-8 8.081E-8 1.807E-7 4.0409999999E-7 9.0349999999E-7 0.0000020199999999 0.000004517 0.0000101 0.00002259 0.000050509999999 17766-26-6 6099917 144211595 D Trisodium 2,4,6-trithioxo-1,3,5-triazinane-1,3,5-triide [Na+].[Na+].[Na+].S=C1[N-]C(=S)[N-]C(=S)[N-]1 Tox21_301278 -NCGC00091261-03 196729016 tox21-ror-cho-viability-p1 set3 4 3.8547531 -4.41753735 -12.01027754 3.81063307 5.19298538 5.3977399 -10.21348574 8.87552294 1.40720335 5.59817045 6.47890853 8.81681128 4.50674474 -1.8083277 -8.98509886 1.1699999999E-9 2.6159999999E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.539E-8 1.462E-7 3.269E-7 7.311E-7 0.000001635 0.0000036549999999 0.000008173 0.00001828 0.000040869999999 0.00009138 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00090704-03 196729416 tox21-ror-cho-viability-p1 set3 4 0.273060203 -16.601597116 0 -16.601597116 4.5044702849 0.6290941725 0.0895718309 0.95877979 2.28422756 1.16566383 -5.66553456 0.35226291 2.10991993 -1.82167401 -10.51386826 -24.25133093 -22.57587837 -21.97874565 -22.71840426 -7.66209098 -1.09386791 3.6884537 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00257770-01 196729428 tox21-ror-cho-viability-p1 set3 4 0.72084833 1.70409218 2.9713068 0.56187117 1.85687802 1.47411289 1.62501417 -1.50895944 -1.19828662 -0.75719514 1.30231025 -0.24053792 2.29498179 1.58499651 -0.70324501 1.162E-9 2.599E-9 5.811E-9 1.299E-8 2.905E-8 6.4969999999E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.000003632 0.000008121 0.00001816 0.0000406 0.00009079 108-18-9 7912 144207414 FNS Diisopropylamine CC(C)NC(C)C Tox21_200216 -NCGC00257670-01 196729430 tox21-ror-cho-viability-p1 set3 -1.1 5.498170782 -74.3136811454 0.7188272859 -73.5948538595 3.1319983358 0.9983970858 0 0.36894255 0.13285334 2.23834114 0.14282946 0.52692816 2.728522 2.10771841 -1.26249817 0.65316493 -0.34937655 -15.80773716 -56.19323533 -72.98024013 -75.08320514 -71.68620849 1.189E-9 2.658E-9 5.9439999999E-9 1.3289999999E-8 2.9719999999E-8 6.6449999999E-8 1.486E-7 3.323E-7 7.4299999999E-7 0.0000016609999999 0.0000037149999999 0.000008307 0.00001857 0.00004153 0.00009287 1067-33-0 16682740 144207314 FC Dibutyltin diacetate O=C(C)O[Sn](CCCC)(OC(=O)C)CCCC Tox21_200116 -NCGC00258113-01 196729827 tox21-ror-cho-viability-p1 set3 -2.1 58.7141493758 -81.713907919 -1.029966177 -82.743874096 3.9899729863 0.9943400059 0 -1.910089 -2.52346813 -2.984615 0.15730263 -3.73683007 0.04152718 0.41793897 0.15318362 -1.78096033 0.18826699 -0.22080686 0.35208536 -2.11203653 -14.77942992 -69.8817228 1.141E-9 2.5509999999E-9 5.7039999999E-9 1.2749999999E-8 2.852E-8 6.377E-8 1.426E-7 3.189E-7 7.1299999999E-7 0.000001594 0.0000035649999999 0.000007972 0.00001782 0.000039859999999 0.00008912 1943-97-1 102724 144207757 A A 4,4'-Octahydro-1H-4,7-methanoindene-5,5-diyldiphenol Oc1ccc(cc1)C4(CC2CC4C3CCCC23)c5ccc(O)cc5 Tox21_200559 -NCGC00258366-01 196730247 tox21-ror-cho-viability-p1 set3 4 1.38810985 1.22275819 0.84140215 0.80021966 -1.28538718 -4.77778525 1.09524023 -0.44993258 -5.1987705 0.46381244 -5.60739672 -1.13522087 -1.20019608 0.32836829 3.39015207 1.197E-9 2.676E-9 5.983E-9 1.338E-8 2.992E-8 6.689E-8 1.496E-7 3.345E-7 7.479E-7 0.0000016719999999 0.00000374 0.0000083619999999 0.000018699999999 0.00004181 0.000093489999999 1002-69-3 13848 144208010 BC Fns 1-Chlorodecane CCCCCCCCCCCl Tox21_200812 -NCGC00257719-01 196730259 tox21-ror-cho-viability-p1 set3 4 1.95294132 1.9208331 0.09854056 -0.8146415 2.08536159 0.87960378 0.73657389 0.04372443 3.00943398 0.97983501 2.07146267 0.57835112 -2.64302521 1.44488629 0.57054 1.1989999999E-9 2.6819999999E-9 5.997E-9 1.3409999999E-8 2.998E-8 6.705E-8 1.4989999999E-7 3.352E-7 7.496E-7 0.000001676 0.000003748 0.000008381 0.000018739999999 0.000041899999999 0.0000937 2403-88-5 75471 144207363 A A 2,2,6,6-Tetramethyl- 4-piperidinol OC1CC(C)(C)NC(C)(C)C1 Tox21_200165 -NCGC00253603-01 196698291 tox21-ror-cho-viability-p1 set1 4 29.8492948118 -11.512432628 -1.5 -13.012432628 0.6 0.6011260661 0.0984563225 -1.29540842 -2.32802617 -1.78291733 2.438393 -3.19507514 -0.15867276 -4.37211401 -2.46513816 -4.23934132 -1.23954915 -2.32441451 -5.87129039 -4.79233144 -5.20591998 -9.17702719 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3704-09-4 251636 170466095 A Mibolerone C[C@@H]3CC1=CC(=O)CC[C@@H]1[C@H]4CC[C@@]2(C)[C@@H](CC[C@]2(C)O)[C@H]34 Tox21_113738 -NCGC00255290-01 196700336 tox21-ror-cho-viability-p1 set1 4 1.59590009 2.44224935 2.70007877 0.05927354 1.42215692 -0.56058389 3.80457357 5.88187698 6.70348709 7.90703329 4.15805221 1.06713477 0.72800448 0.94256654 0.44492144 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-11-5 6518 144212064 F Fns Pentaerythritol tetranitrate O=[N+]([O-])OCC(CO[N+](=O)[O-])(CO[N+]([O-])=O)CO[N+]([O-])=O Tox21_301747 -NCGC00255978-01 196700351 tox21-ror-cho-viability-p1 set1 4 58.495868673 8.7535989799 -1.2535989799 7.5 4.0949729863 0.4703562935 0.2086077516 0.07961021 -3.64111291 -2.44357362 -0.69125417 -0.01618164 0.31607767 -5.62799915 1.37426936 -0.02304261 0.78911155 -3.51039231 -2.90214246 2.30668424 0.46942238 6.65684099 1.252E-9 2.8E-9 6.261E-9 1.4E-8 3.1309999999E-8 7E-8 1.565E-7 3.5E-7 7.8269999999E-7 0.00000175 0.000003913 0.000008751 0.00001957 0.00004375 0.000097829999999 191217-81-9 166589 144212633 A A Pramipexole dihydrochloride monohydrate Cl.Cl.O.CCCN[C@@H]1Cc2sc(N)nc2CC1 Tox21_302316 -NCGC00254865-01 196698712 tox21-ror-cho-viability-p1 set1 4 -0.4623673 1.27336395 0.12108732 -1.82738831 0.75666591 -0.47479455 -1.94297762 1.47536771 0.4377327 -2.9595478 0.4542283 1.32371617 -0.12236894 0.0143283 2.35895 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-85-4 7461 144211280 FC gamma-Terpinene CC1=CCC(=CC1)C(C)C Tox21_300963 -NCGC00181306-04 196698299 tox21-ror-cho-viability-p1 set1 4 0.0530803864 -7.3161848999 3.5 -3.8161848999 1.1340999999 0.7059514808 0.0359472271 0.02265801 6.21410603 6.6452809 1.21126115 1.59405071 0.15767387 0.18201876 -1.08374697 -5.1394576 -3.91994504 -4.37604797 -2.25112217 -7.34682075 -3.51016359 -1.50393187 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 114977-28-5 148124 170464919 I Docetaxel CC(C)(C)OC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]5C[C@@]6(O)[C@@H](OC(=O)c2ccccc2)[C@H]4[C@@](C)([C@@H](O)C[C@H]3OC[C@]34OC(C)=O)C(=O)[C@H](O)C(=C5C)C6(C)C Tox21_112781_1 -NCGC00183857-01 196698304 tox21-ror-cho-viability-p1 set1 4 0.0530803864 9.165700936 -8.165700936 1 1.21 0.8521565638 0.0021381464 -10.13844704 -4.45996305 -8.44678342 -6.95355333 -10.55475078 -7.93687429 -9.55157964 -5.22605066 -4.39389408 -2.82150391 -0.59623363 0.17466437 -0.38630637 -0.15102886 3.2673191 5.899E-11 1.319E-10 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 108319-06-8 60021 144206857 A A Temafloxacin Fc1ccc(c(F)c1)N2C=C(C(=O)O)C(=O)c3cc(F)c(cc23)N4CC(C)NCC4 Tox21_113306 -NCGC00254091-01 196698713 tox21-ror-cho-viability-p1 set1 -2.4 71.9001573639 -27.7736534 -4.188090332 -31.961743732 0.9999999999 0.7635658222 0.0157732631 -7.41125581 -0.57340861 -7.79963988 -4.44259533 -7.67901776 -3.86129231 -1.37406612 -1.96609949 -2.0525958 -4.98276256 -5.99968305 -6.73702339 -6.73968921 -11.09041663 -23.30145311 1.115E-9 2.493E-9 5.574E-9 1.246E-8 2.7869999999E-8 6.2319999999E-8 1.394E-7 3.1159999999E-7 6.9679999999E-7 0.000001558 0.000003484 0.00000779 0.00001742 0.00003895 0.000087099999999 NOCAS_47379 60196408 144210575 A A SSR126768 Cl.CCN(Cc1cccnc1)C(=O)c2cccc(Cl)c2[C@@]5(C)c3cc(Cl)ccc3N(Cc4ccc(OC)cc4OC)C5=O Tox21_300255 -NCGC00090874-04 196698719 tox21-ror-cho-viability-p1 set1 4 1.44802874 1.28792926 0.41894482 0.25295257 0.18349085 2.10857072 1.6420362 0.23805736 2.44157725 2.1781596 -1.17464073 0.12897696 1.86081205 -0.5400863 3.64055396 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00159417-06 196699113 tox21-ror-cho-viability-p1 set1 -2.1 44.2913331849 -92.4234200924 -0.321453178 -92.7448732704 2.3331733767 0.9935892528 1E-10 -2.02643284 -0.75219519 0.9708849 0.69345031 0.39386408 0.79879853 -0.58866856 -2.51995503 -0.4403527 3.86235506 -3.82688026 -2.89133117 -9.33662104 -43.62972108 -79.35217672 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00254353-01 196699120 tox21-ror-cho-viability-p1 set1 4 2.59821308 1.57021044 4.57342367 2.74575124 1.77591964 -2.75824417 -2.72845298 0.99434487 5.48920183 3.57826414 -2.70736293 1.04644467 2.64775833 3.78292332 0.89875858 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-21-7 8098 144210914 A A Triethylene glycol diacetate O=C(C)OCCOCCOCCOC(C)=O Tox21_300597 -NCGC00256441-01 196708183 tox21-ror-cho-viability-p1 set1 4 -6.16600604 -7.2151132 -11.18057794 0.97904095 1.68031793 -12.18805754 5.74817273 -9.69321117 -0.41457479 -3.83296606 -1.69664736 1.92419762 -1.95828966 6.84472759 -4.5852358 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-66-9 4911 144213245 A A Probenecid O=S(=O)(N(CCC)CCC)c1ccc(cc1)C(=O)O Tox21_302928 -NCGC00259190-01 196708583 tox21-ror-cho-viability-p1 set2 -2.2 21.7120023439 -45.3971741009 1.3048490854 -44.0923250155 4.0949729863 0.9929189766 7E-10 2.49799873 0.98167654 0.9880175 0.09035002 1.46363861 2.00305527 1.1641686 3.03255775 2.25412918 1.32967603 -0.35842832 -1.09428506 -14.38792307 -40.87046054 1.01180531 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.00009229 300-76-5 4420 144208839 D Naled COP(=O)(OC)OC(Br)C(Cl)(Br)Cl Tox21_201641 -NCGC00091839-03 196708161 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -32.74914356 2.5 -30.24914356 4.9549173134 0.9327184747 0.0000419166 2.06950804 0.71702832 0.56829095 2.76546913 -0.13671707 0.45984108 1.6909572 5.04258715 4.90520278 -0.25232515 2.47314083 4.36795078 2.66545959 2.1748396 -24.3742863 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00094532-06 196708180 tox21-ror-cho-viability-p1 set1 4 0.2777876799 -10.3637394519 -0.5 -10.8637394519 4.9549173134 0.519414619 0.1776847695 0.4277994 -6.2457724 -2.7032351 6.87640489 1.49503813 -3.65172739 0.63909883 -7.36514548 -16.55311621 -15.82286616 -2.88237397 -2.92640286 -15.94131545 -10.44517777 -3.71784706 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00258833-01 196708587 tox21-ror-cho-viability-p1 set2 4 1.53796697 -0.13540339 -2.78387226 -8.25209824 -3.45816869 -2.90837895 -4.58561183 -4.56856253 -1.00270921 0.23368875 -3.23171565 -2.49105053 -2.65067443 -1.47468701 -5.52409284 1.1839999999E-9 2.648E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.619E-8 1.4799999999E-7 3.309E-7 7.4E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.0000925 330-55-2 9502 144208479 A A Linuron Clc1ccc(NC(=O)N(C)OC)cc1Cl Tox21_201281 -NCGC00090965-04 196708993 tox21-ror-cho-viability-p1 set2 4 2.24642143 1.04377912 0.06198226 3.52637037 1.77219549 0.06489956 5.3162047 -3.30432827 2.51361728 -0.32603393 0.68812858 0.03182585 2.27742266 -0.73073784 -3.47899889 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00090750-04 196708998 tox21-ror-cho-viability-p1 set2 4 31.0121236216 -12.90096552 0.5 -12.40096552 2.7202212143 0.8247660358 0.0045826528 5.93462415 -0.1716988 -1.15237549 0.56941853 1.42897049 -0.56237017 0.72562866 -1.36737151 0.23864602 0.65285359 -1.60291648 -0.22777436 -2.13489653 -8.47555612 -12.0008046 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00259201-01 196709004 tox21-ror-cho-viability-p1 set2 -1.1 3.8688482333 -89.8906516877 0.6177204659 -89.2729312218 1.4641 0.9966028148 0 -0.72541576 1.19121267 1.00455712 1.30031375 1.26377656 -1.45493874 -1.88036499 -1.13619675 -3.05063249 -19.00163739 -43.9516587 -70.07640625 -83.2322707 -87.52248159 -83.61545012 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 117-80-6 8342 144208850 A D Dichlone O=C2c1ccccc1C(=O)C(Cl)=C2Cl Tox21_201652 -NCGC00259092-01 196709005 tox21-ror-cho-viability-p1 set2 4 1.18894568 3.18395963 1.78214371 -0.21699718 -4.92772749 -1.29755978 -4.53853313 -5.42689411 -5.41288826 -5.36972097 -5.38047548 -1.48218741 -1.40986792 -0.20354707 0.17976455 1.193E-9 2.6679999999E-9 5.9659999999E-9 1.3339999999E-8 2.9829999999E-8 6.67E-8 1.491E-7 3.335E-7 7.457E-7 0.0000016669999999 0.000003728 0.000008337 0.00001864 0.000041689999999 0.000093209999999 520-36-5 5280443 144208740 A A Apigenin Oc1ccc(cc1)C3=CC(=O)c2c(cc(O)cc2O)O3 Tox21_201542 -NCGC00259727-01 196709414 tox21-ror-cho-viability-p1 set2 4 -6.93140268 0.06801707 -1.35032487 -4.13872937 3.10266019 -5.20054443 2.26545715 2.45005705 -5.52153738 -0.15710016 2.57872423 -5.97231685 -3.32281753 2.40558242 -1.59404081 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.0000036909999999 0.000008252 0.000018449999999 0.000041259999999 0.00009226 10030-73-6 5282745 144209376 A A (E)-Hexadec-9-enoic acid O=C(O)CCCCCCC\C=C\CCCCCC Tox21_202178 -NCGC00259427-01 196709415 tox21-ror-cho-viability-p1 set2 4 0.91386518 -0.6021542 -0.43148678 -0.48167942 -1.50962991 -0.83303743 -2.10646122 -8.06213596 -0.21886865 0.72499816 -0.58390957 -1.19033283 -0.6794318 -2.16866286 1.69242221 1.16E-9 2.594E-9 5.8009999999E-9 1.297E-8 2.901E-8 6.486E-8 1.45E-7 3.2429999999E-7 7.252E-7 0.000001622 0.0000036259999999 0.000008108 0.000018129999999 0.000040539999999 0.00009065 88-85-7 6950 144209076 F Dinoseb O=[N+]([O-])c1cc(cc(C(C)CC)c1O)[N+]([O-])=O Tox21_201878 -NCGC00258923-01 196709416 tox21-ror-cho-viability-p1 set2 4 76.4113045955 -14.811124952 1 -13.811124952 4.9549173134 0.7618915378 0.0164624526 1.71418862 -0.09854658 2.19059277 1.50882784 0.81491663 -1.92128895 0.28224177 1.63587418 -0.90649608 -0.36695828 3.6192492 -0.80649086 2.57218051 2.80063817 -10.67593746 1.173E-9 2.624E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.000003667 0.0000081989999999 0.00001833 0.00004099 0.000091659999999 89-72-5 6984 144208570 A A 2-(Butan-2-yl)phenol Oc1ccccc1C(C)CC Tox21_201372 -NCGC00259309-01 196706760 tox21-ror-cho-viability-p1 set1 4 0.53712487 -2.93821731 5.61186022 0.24534033 -0.36042511 0.13171944 -0.6666504 -1.44842779 -9.11139059 -0.71475166 -5.41734194 -6.04630818 0.56069509 -0.54156419 -0.63426511 1.189E-9 2.66E-9 5.9469999999E-9 1.3299999999E-8 2.973E-8 6.649E-8 1.487E-7 3.3239999999E-7 7.4339999999E-7 0.000001662 0.0000037169999999 0.0000083109999999 0.000018579999999 0.00004156 0.00009292 7785-26-4 440968 144208958 FNS (-)-alpha-Pinene CC2(C)[C@H]1CC=C(C)[C@@H]2C1 Tox21_201760 -NCGC00259282-01 196706348 tox21-ror-cho-viability-p1 set1 4 -0.28767775 -0.00767793 4.48617528 1.92385126 5.55924171 0.12989968 1.55882854 -1.21536865 4.84017559 1.57920849 2.57895627 -0.76128696 0.66129438 1.3592468 2.06126797 1.189E-9 2.6589999999E-9 5.946E-9 1.3289999999E-8 2.973E-8 6.647E-8 1.486E-7 3.3239999999E-7 7.4319999999E-7 0.000001662 0.000003716 0.000008309 0.000018579999999 0.000041549999999 0.0000929 2489-77-2 2779938 144208931 A A 1,1,3-Trimethyl-2-thiourea CN(C)C(=S)NC Tox21_201733 -NCGC00258989-01 196706357 tox21-ror-cho-viability-p1 set1 4 5.99316231 6.77951408 3.24341535 2.16739616 8.40807353 3.18690986 2.14199286 1.35445447 2.73380359 13.7067254 -0.27423887 2.12067067 2.22053098 0.5625307 0.05702914 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.3529999999E-7 0.0000016439999999 0.0000036769999999 0.000008221 0.000018379999999 0.00004111 0.00009192 330-54-1 3120 144208636 A A Diuron Clc1ccc(NC(=O)N(C)C)cc1Cl Tox21_201438 -NCGC00259975-01 196706359 tox21-ror-cho-viability-p1 set1 4 26.4474639911 -19.162660016 2.5 -16.662660016 4.9549173134 0.6737094186 0.0614345102 2.47999807 4.16444999 0.40304344 3.94689621 1.90202096 0.18767733 2.24392575 4.40792192 4.62756597 9.5164135 -4.973533 2.09903309 0.19112082 -14.30221668 -0.73999517 1.149E-9 2.568E-9 5.743E-9 1.284E-8 2.8709999999E-8 6.421E-8 1.436E-7 3.21E-7 7.1789999999E-7 0.0000016049999999 0.000003589 0.0000080259999999 0.00001795 0.00004013 0.00008973 112-05-0 8158 144209624 A A Nonanoic acid O=C(O)CCCCCCCC Tox21_202426 -NCGC00258825-01 196706771 tox21-ror-cho-viability-p1 set1 4 -0.60254103 -5.61159172 -4.12522528 -0.43264977 -1.20042428 -0.42957038 -1.79176299 -1.84068111 -4.58993712 0 1.45151333 -0.46606667 -2.83677482 1.0049319 -1.0273138 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.303E-7 7.387E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 118-79-6 1483 144208471 A A 2,4,6-Tribromophenol Brc1cc(Br)cc(Br)c1O Tox21_201273 -NCGC00257044-01 196707185 tox21-ror-cho-viability-p1 set1 4 -11.38926546 -8.82172143 0.57740274 -5.68795729 -6.39349437 0.96453936 5.18999514 0.36836716 -6.67672158 -6.50521982 0.14653576 -4.96404424 -4.46670284 0.59018111 0.88098985 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-16-8 7375 144213398 A F 3-(Trifluoromethyl)aniline FC(F)(F)c1cc(N)ccc1 Tox21_303081 -NCGC00256775-01 196707187 tox21-ror-cho-viability-p1 set1 4 1.93827217 0.41041915 1.04859354 0.69257434 -0.60340124 1.92019747 5.39148279 -1.08625912 13.21413534 1.45143197 -13.48903966 4.73975374 5.19892488 1.7670028 -0.05482182 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 3790-78-1 5320128 144212773 Cc F cis-Nerolidol C/C(C)=C\CCC(/C)=C\CCC(C)(O)C=C Tox21_302456 -NCGC00257084-01 196707194 tox21-ror-cho-viability-p1 set1 4 13.6854287769 -5.2476416959 2.5 -2.7476416959 4.9549173134 0.3449352499 0.3278355731 -2.49907245 3.49966772 -1.99100993 1.43933373 0.89511152 4.54778752 3.96088586 1.80848957 8.09394928 0.14266766 2.81361782 4.45504448 -2.61711237 -2.70636808 -2.23790379 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 3689-24-5 19395 144213452 A F Sulfotepp CCOP(=S)(OCC)OP(=S)(OCC)OCC Tox21_303135 -NCGC00256760-01 196707588 tox21-ror-cho-viability-p1 set1 4 0.37507789 0.37772827 -0.41139177 4.90580006 2.11594139 -0.10281597 -0.32302958 4.47040987 0.32525619 -1.15396338 1.32691137 4.68291093 4.18193214 -0.35367519 0.29798486 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2439-54-5 75538 144212828 A Fns N-Methyloctan-1-amine CNCCCCCCCC Tox21_302511 -NCGC00256566-01 196707596 tox21-ror-cho-viability-p1 set1 4 0.65293341 0.98228357 0.21160309 1.92531696 0.26891019 2.0116347 -6.05214198 3.93338947 0.30631911 2.26347494 0.09073077 2.00391114 6.67687396 1.53614686 3.172754 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 5131-60-2 21209 144213138 A A 4-Chloro-1,3-diaminobenzene Nc1ccc(Cl)c(N)c1 Tox21_302821 -NCGC00256468-01 196707599 tox21-ror-cho-viability-p1 set1 4 0.58289767 3.77961432 -6.15147602 3.391145 1.1292878 1.03038481 2.69323754 6.48608062 1.52078691 -6.37267353 0.24240682 2.17712568 0.06363027 -2.69304027 5.00430265 7.4319999999E-10 1.662E-9 3.716E-9 8.31E-9 1.8579999999E-8 4.1549999999E-8 9.291E-8 2.077E-7 4.645E-7 0.000001039 0.000002323 0.000005194 0.000011609999999 0.000025969999999 0.00005807 759-73-9 12967 144213066 F F 1-Ethyl-1-nitrosourea NC(=O)N(CC)N=O Tox21_302749 -NCGC00257485-01 196707602 tox21-ror-cho-viability-p1 set1 4 0.82988512 2.14846556 1.80951585 0.91203187 0.72014988 -0.71854036 1.640736 1.03097994 -7.70261519 2.13552228 -0.30268091 1.47102924 0.64248654 0.77776512 5.50890515 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-09-7 34306 144213728 F F Isooctyl 2-mercaptoacetate CC(C)CCCCCOC(=O)CS Tox21_303417 -NCGC00257383-01 196707603 tox21-ror-cho-viability-p1 set1 4 1.63925404 3.16379934 1.95305506 0.68595549 -0.55651946 2.61067515 3.33886059 8.18253531 0.57330128 0.41323069 0.10167106 -0.72977423 6.78575231 0.82344098 2.37280656 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2696-84-6 75908 144213747 A Ac 4-Propylaniline Nc1ccc(CCC)cc1 Tox21_303437 -NCGC00247695-01 196704703 tox21-ror-cho-viability-p1 set1 4 2.0912557 -2.63904996 -5.92798135 -3.82481564 -5.14817972 -4.97025128 -2.4574717 -3.69545922 -1.34108493 0.58255982 -1.14706758 2.47570859 -2.77528393 3.12440972 -2.83900053 1.2629999999E-9 2.824E-9 6.3139999999E-9 1.412E-8 3.157E-8 7.06E-8 1.579E-7 3.5299999999E-7 7.893E-7 0.0000017649999999 0.000003947 0.000008825 0.00001973 0.00004412 0.00009866 131690-45-4 60196323 144206398 A A cis-N-[1-[2-(2-Thienyl)ethyl]-3-methyl-4-piperidyl]-N-phenylpropanamide hydrochloride Cl.CCC(=O)N(c1ccccc1)C2CCN(CC2C)CCc3cccs3 Tox21_112845 -NCGC00090965-04 196718815 tox21-ror-cho-viability-p1 set2 4 1.38413536 0.79502172 0.67550133 0.46451138 1.72937257 0.82840093 -1.85218843 0.43011641 -5.03035789 -0.77333722 -9.01208103 1.88733918 1.59922689 -5.6583949 -0.16234034 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00256444-01 196718394 tox21-ror-cho-viability-p1 set2 4 0.99473749 0.33964902 0.73339538 -0.27416192 -7.85255063 0.12657355 -2.03303392 -1.55047443 -1.83482751 -12.93231771 -4.30711182 2.68881493 0.14175858 -0.34721988 -8.85448232 1.026E-9 2.295E-9 5.132E-9 1.148E-8 2.5659999999E-8 5.7379999999E-8 1.283E-7 2.8689999999E-7 6.4149999999E-7 0.000001434 0.0000032069999999 0.0000071719999999 0.00001604 0.00003586 0.00008018 126-72-7 31356 144213284 A F Tris(2,3-dibromopropyl) phosphate BrCC(Br)COP(=O)(OCC(Br)CBr)OCC(Br)CBr Tox21_302967 -NCGC00256660-01 196718398 tox21-ror-cho-viability-p1 set2 4 -1.92549452 1.67289897 -0.14835477 1.71806312 -7.04482154 -2.22793811 -6.94249805 3.3265038 -4.75239231 -5.23469419 -6.37577672 0.89328699 -2.4704668 -7.63001908 -3.55121531 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-43-6 31294 144212768 A Carbamide peroxide NC(N)=O.OO Tox21_302451 -NCGC00257003-01 196718402 tox21-ror-cho-viability-p1 set2 4 -4.39461074 -3.05559117 -2.74454936 -4.44298324 -9.13514676 0.93557487 -8.1420765 0.54727257 -13.43126246 -4.75943169 -3.54913871 -2.61051757 -2.33623678 -0.13831554 -2.14028885 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-55-7 7993 144213645 Fns 3-(Dimethylamino)propylamine NCCCN(C)C Tox21_303328 -NCGC00257480-01 196719227 tox21-ror-cho-viability-p1 set2 4 0.25578742 0.79381774 2.59128098 1.34550408 2.61659908 0.66966354 1.58147294 3.88554819 2.6964784 0.51768008 2.42592604 4.44251822 1.64524183 0.77224939 -1.58446512 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-99-2 7169 144213900 A A Phenyl benzoate O=C(Oc1ccccc1)c2ccccc2 Tox21_303595 -NCGC00256416-01 196719229 tox21-ror-cho-viability-p1 set2 4 -3.85858949 -1.14027752 -3.50272895 -2.38615796 -5.91302741 -7.80725366 -0.24107451 -1.95140323 -1.41080507 -4.32723721 0.22693608 -1.43360989 -3.81964394 -0.0795697 -3.29350849 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15687-27-1 3672 144213146 A A Ibuprofen CC(C(=O)O)c1ccc(CC(C)C)cc1 Tox21_302829 -NCGC00257503-01 196719235 tox21-ror-cho-viability-p1 set2 -2.4 61.130564862 -31.825393584 2 -29.825393584 2.9522712143 0.8588150775 0.0017103669 0.74830084 1.57170891 0.52206533 1.00825136 0.48340343 7.49303529 -0.54589322 0.96869592 5.81347645 4.36829489 4.79233629 -1.92087552 -1.50956709 -4.29972147 -22.77116132 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1219-38-1 14642 144213741 A A Octylparaben Oc1ccc(cc1)C(=O)OCCCCCCCC Tox21_303430 -NCGC00065934-05 196697339 tox21-ror-cho-viability-p1 set1 4 -4.39830887 -1.17887998 -0.04274999 -0.10942364 -0.58284485 -0.84094675 3.95771139 0.55892889 -11.12273514 -1.16535314 0.05469292 -1.61138607 0.25152783 -0.96552707 0.55591267 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 28721-07-5 34312 170464811 A Oxcarbazepine NC(=O)N3c1ccccc1C(=O)Cc2ccccc23 Tox21_110983_1 -NCGC00091839-03 196697372 tox21-ror-cho-viability-p1 set1 -2.4 54.4826732819 -28.319210048 -0.5 -28.819210048 3.9294729863 0.9361815742 0.0000316572 -0.71830357 -1.58710818 -0.32175295 -0.35121259 -0.13146395 -5.70076581 0.39781599 -0.16124024 -0.49208737 1.9291178 0.8201529 0.31393444 1.28640489 -7.76681455 -25.68267504 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00014684-04 196697376 tox21-ror-cho-viability-p1 set1 4 -2.89467468 1.77396613 -2.41338754 -4.4688309 -0.22004665 -2.74534215 -0.54408336 -1.3597452 -0.42093668 1.89630526 -3.45443235 -2.40551758 -3.55402653 1.20127782 -5.01218627 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27199-40-2 65758 170466112 A Pifexole Clc3ccccc3c1nc(no1)c2ccncc2 Tox21_110057_1 -NCGC00091253-05 196697381 tox21-ror-cho-viability-p1 set1 4 0.27979604 0.10986408 -1.00884546 1.03232324 -0.53531364 -0.94084728 -1.08229643 -0.98540046 -0.18451387 1.13329266 1.72892998 4.43770494 1.64731912 2.50433417 0.03056227 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00091586-02 196697395 tox21-ror-cho-viability-p1 set1 4 -4.39984649 -5.47452063 -0.09531744 -1.17090601 -4.61266958 0.69756059 -4.13285464 -1.09619531 1.49524598 -2.6380945 4.02010317 0.8077918 -0.05750906 1.01797094 -4.17236466 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00179382-03 196726330 tox21-ror-cho-viability-p1 set3 4 -5.09551421 -4.76516473 -9.21923001 -6.87428339 -7.19644382 2.50327465 1.82490799 -0.19801446 -6.35625606 -9.03069395 -3.86495756 0.80306783 -2.96655771 -0.89379838 -1.7068318 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 532-76-3 102426 170465088 A Hexylcaine hydrochloride Cl.CC(CNC1CCCCC1)OC(=O)c2ccccc2 Tox21_110456_1 -NCGC00271513-02 196726321 tox21-ror-cho-viability-p1 set3 2.2 13.3331902297 41.5033164739 -0.4515413539 41.05177512 0.7999999999 0.8413029665 0.0029070814 -0.23147538 0.6127452 0 -7.98584437 -1.89629813 -6.58621097 10.40638306 4.22433442 2.71372444 1.86217914 10.49622745 7.07173413 18.987358 21.51815161 33.32887453 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 31036-80-3 30668 170466275 A A Lofexidine Clc2cccc(Cl)c2OC(C)C1=NCCN1 Tox21_113963 -NCGC00256059-01 196700785 tox21-ror-cho-viability-p1 set1 4 0.1722893406 -6.202879004 1 -5.202879004 4.9549173134 0.4595821639 0.2334105816 -4.00250325 0.17077245 3.86046966 1.65296613 -0.24331373 2.77123444 -0.44573351 -7.3315622 -6.51832661 -11.00239917 2.49751633 -5.74260755 -4.82373572 -4.29444906 2.31547055 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 36431-72-8 61953 144212606 D F Theaspirane CC2=CCCC(C)(C)C12CCC(C)O1 Tox21_302289 -NCGC00015060-14 196699961 tox21-ror-cho-viability-p1 set1 4 27.0562917993 9.375307612 1.624692388 11 4.9549173134 0.763603542 0.0159561141 2.74610096 4.74672988 4.21908099 0.76217066 1.41496022 0.03963395 -1.97942301 1.01163927 2.68066247 0.16956837 3.01910507 -0.06695713 2.43229676 10.66368436 10.53687267 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00255726-01 196700365 tox21-ror-cho-viability-p1 set1 4 -0.89411563 -1.12544926 -2.68406305 1.33141549 -0.26497385 -2.40413038 -0.56515924 2.61352111 1.59804504 -0.01100164 -6.70745782 -0.06904421 -1.5368743 1.5407969 0.81114439 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 156-06-9 997 144211679 F F Phenylpyruvic acid O=C(Cc1ccccc1)C(=O)O Tox21_301362 -NCGC00256209-01 196700781 tox21-ror-cho-viability-p1 set1 4 2.84891961 0.07955829 1.30320341 1.41190745 -1.64421148 3.76401971 2.01776621 -0.04866642 1.03180527 1.48718295 0.29442609 0.41116213 -1.49900782 2.41273491 -0.89043855 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67151-63-7 106705 144211623 Z Z 1-{Bis[3-(dimethylamino)propyl]amino}propan-2-ol CN(C)CCCN(CC(C)O)CCCN(C)C Tox21_301306 -NCGC00255929-01 196701203 tox21-ror-cho-viability-p1 set1 4 21.6899429044 -8.6620456079 0 -8.6620456079 4.9549173134 0.8268191044 0.0044025278 1.45039363 -0.33148725 -3.13382563 0.97606816 0.46571021 -1.02194713 -0.6649544 2.23836251 -1.70918549 1.1947687 0.62252001 1.08673119 -2.50738379 -8.13895957 -8.46837134 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58769-20-3 16722125 144212539 A B Kadethrin O=C(OCc2cc(Cc1ccccc1)oc2)[C@H]4[C@@H](\C=C3/CCSC3=O)C4(C)C Tox21_302222 -NCGC00257929-01 196701613 tox21-ror-cho-viability-p1 set1 4 6.038532545 -14.68107582 -9.31916672 -24.00024254 0.7 0.634370781 0.073954039 -12.67351634 -14.47520395 -11.34408188 -6.0993056 -10.80809835 -10.36541792 -7.01608246 -11.01054587 -9.1238726 -18.78391226 -11.490206 -20.37475024 -20.64302241 -17.26051037 -23.33353545 1.1679999999E-9 2.6109999999E-9 5.838E-9 1.305E-8 2.919E-8 6.5269999999E-8 1.459E-7 3.2629999999E-7 7.297E-7 0.0000016319999999 0.000003648 0.0000081579999999 0.000018239999999 0.000040789999999 0.000091209999999 92-59-1 7098 144207573 A A N-Ethyl-N-phenyl benzylamine CCN(Cc1ccccc1)c2ccccc2 Tox21_200375 -NCGC00258361-01 196701619 tox21-ror-cho-viability-p1 set1 4 1.9134760647 -8.1842207479 2.5 -5.6842207479 4.9549173134 0.4123714134 0.2771634826 9.23202743 -2.011412 1.28708273 -0.85205054 -0.42605248 3.52367727 3.30985234 0.56349105 6.57571865 0.01506967 -11.40351729 1.09351311 -0.99044597 -10.79846657 4.03890732 1.1699999999E-9 2.6159999999E-9 5.849E-9 1.3079999999E-8 2.925E-8 6.54E-8 1.462E-7 3.27E-7 7.3119999999E-7 0.000001635 0.000003656 0.000008175 0.00001828 0.000040869999999 0.0000914 89-63-4 6979 144208005 A A 4-Chloro-2-nitroaniline Nc1ccc(Cl)cc1[N+]([O-])=O Tox21_200807 -NCGC00091088-05 196702024 tox21-ror-cho-viability-p1 set1 4 6.1130564862 4.7793758919 -3.2793758919 1.5 4.9549173134 0.3573279726 0.315089489 0.59499376 -4.357816 -6.00745459 -2.97031181 0.9134614 -7.64403477 0.78471782 -4.82348714 -0.95483866 -8.14947991 -6.08813466 1.8522727 0.36943195 2.51599662 0.92550539 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00258658-01 196702026 tox21-ror-cho-viability-p1 set1 4 2.2980751 5.38693857 3.73543897 1.32463429 -1.02300028 -1.26917924 -0.34029189 3.32313803 0.6423816 4.79805043 -1.48639989 -2.70842665 3.3442666 5.42064506 3.35683714 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.6299999999E-8 1.4829999999E-7 3.315E-7 7.4129999999E-7 0.0000016579999999 0.0000037059999999 0.000008288 0.00001853 0.000041439999999 0.00009266 6138-23-4 181978 144208304 A Trehalose dihydrate O.O.O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O Tox21_201106 -NCGC00091499-05 196699139 tox21-ror-cho-viability-p1 set1 4 0.69836115 -0.08461464 -5.23738901 -3.57685289 -5.91372735 -7.8151653 -1.16763639 -5.12113539 -2.2053648 -3.35918933 -7.7019714 -4.02362549 -1.91307306 -0.80145588 -2.56858931 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00164617-04 196698326 tox21-ror-cho-viability-p1 set1 -2.1 29.8492948118 -95.7551385332 0.1576391849 -95.5974993483 4.9549173134 0.9943711332 0 0.57114588 1.01554494 0.11402651 -0.97404336 2.76276644 1.52594264 0.71689631 0.16861901 1.4413975 -0.84166801 -0.33552522 -4.77191499 0.32351382 -12.38361798 -85.66084171 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 106685-40-9 60164 170464674 F Adapalene O=C(O)c1ccc2cc(ccc2c1)c3cc(c(OC)cc3)C46CC5CC(CC(C4)C5)C6 Tox21_112236_1 -NCGC00255354-01 196711073 tox21-ror-cho-viability-p1 set2 -1.1 17.2289340586 -76.2083916938 -0.2369002009 -76.4452918947 1.34431 0.984487738 1.09E-8 4.98620512 -3.17149334 1.55941463 3.44341888 -0.14973786 0.73964399 0.79325982 -3.93401828 -7.28349802 -4.05466138 -10.08016675 -18.23983414 -40.79879509 -60.4379988 -67.38279689 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122453-73-0 91778 144211896 A A Chlorfenapyr CCOCn1c(c(C#N)c(Br)c1C(F)(F)F)c2ccc(Cl)cc2 Tox21_301579 -NCGC00255469-01 196709845 tox21-ror-cho-viability-p1 set2 4 -5.96043133 -4.70282467 -3.47218895 -0.6450356 -0.25054249 -7.60376655 -3.07461079 -4.10666887 0.64231837 -1.30429806 -0.67845098 -0.33902135 -0.61892375 1.22778178 -1.23894897 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 30391-89-0 94411 144212296 A A 2-Amino-N-(1-methylethyl)benzamide O=C(NC(C)C)c1ccccc1N Tox21_301979 -NCGC00255659-01 196710254 tox21-ror-cho-viability-p1 set2 4 48.2122738358 -14.90078084 1.5 -13.40078084 1.6258976909 0.8263410752 0.0044409874 5.20527734 4.13420547 1.506701 0.74140027 0.39305953 0.88984096 1.79538574 1.11923345 -0.45035897 0.45225787 0.15214101 0.48494992 -0.63158154 -4.90218285 -9.5006507 1.173E-9 2.622E-9 5.863E-9 1.311E-8 2.9319999999E-8 6.5549999999E-8 1.466E-7 3.2779999999E-7 7.329E-7 0.0000016389999999 0.000003665 0.000008194 0.00001832 0.000040969999999 0.00009161 299-84-3 9298 144211651 F F Fenchlorphos Clc1cc(OP(=S)(OC)OC)c(Cl)cc1Cl Tox21_301334 -NCGC00255542-01 196710264 tox21-ror-cho-viability-p1 set2 4 0.0015355304 8.7482982559 -7.2482982559 1.5 4.9549173134 0.6149066195 0.0894506912 -5.62358188 2.21377111 2.28730766 0.52127156 4.82474694 3.20350036 1.11116779 0.59289398 0.97149644 2.93580672 1.84846479 1.66700484 -0.8954227 -0.2248734 2.70690607 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1617-90-9 15376 144212285 A A Vincamine O=C(OC)[C@@]5(O)C[C@@]4(CCCN3CCc2c1ccccc1n5c2[C@@H]34)CC Tox21_301968 -NCGC00256152-01 196711074 tox21-ror-cho-viability-p1 set2 4 0.23249544 2.65300283 0.14853034 0.41240604 1.10324847 -1.68884098 0.37821092 3.66289044 -2.08225989 4.72479601 2.78947435 -1.87020614 1.54774554 2.03447803 0.85712317 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26896-48-0 160138 144211928 A I Tricyclodecanedimethanol OCC2CCC3C1CC(CC1CO)C23 Tox21_301611 -NCGC00255219-01 196711076 tox21-ror-cho-viability-p1 set2 -3 62.4149152869 -89.8910083684 3.0132378365 -86.8777705319 4.9549173134 0.9010911281 0.0003044096 -1.74091647 1.83194393 0.39526529 0.13535347 3.47803673 0.15041822 0.5151714 -0.2488983 1.51261039 2.16712235 2.74142326 2.84666305 10.61334013 17.33710116 -72.39814211 9.9099999999E-10 2.2159999999E-9 4.955E-9 1.1079999999E-8 2.477E-8 5.5399999999E-8 1.239E-7 2.77E-7 6.194E-7 0.0000013849999999 0.0000030969999999 0.000006925 0.00001548 0.00003462 0.00007742 50-41-9 60974 144212192 A I Clomiphene citrate (1:1) O=C(O)C(O)(CC(=O)O)CC(=O)O.CCN(CCOc1ccc(cc1)C(c2ccccc2)=C(Cl)c3ccccc3)CC Tox21_301875 -NCGC00256199-01 196711092 tox21-ror-cho-viability-p1 set2 4 4.41374336 8.74515265 3.32589654 0.58940396 2.77680602 0 -0.59121738 0.46579292 1.48988584 4.64001873 0.36723558 0.15442971 0.72422015 1.3745105 4.75303286 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 4532-64-3 548353 144212139 F 2,3-Butanedithiol CC(S)C(C)S Tox21_301822 -NCGC00255926-01 196711094 tox21-ror-cho-viability-p1 set2 4 5.90591096 3.25260683 3.54562635 2.48033885 1.20962583 -0.35792877 -0.462467 1.7279387 1.27088285 1.70935466 1.03861475 1.05135958 1.27717995 0.14005512 3.43821403 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 71-30-7 597 144212456 F A Cytosine NC=1C=CNC(=O)N=1 Tox21_302139 -NCGC00260385-01 196711514 tox21-ror-cho-viability-p1 set2 -1.4 0.3861000672 -25.857049876 -2.444581757 -28.301631633 1.331 0.6249348156 0.1259291083 -4.64566988 -3.50805827 -2.70340079 -4.58985423 -1.1817782 -4.87169472 -4.051122 -13.92603147 -26.19921739 -29.86632221 -5.74146307 -41.44625737 -5.1884252 -32.84607027 -28.16146044 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.000041259999999 0.000092249999999 51-42-3 5815 144210037 F A Epinephrine bitartrate Oc1ccc(cc1O)[C@@H](O)CNC.O=C(O)[C@H](O)[C@@H](O)C(=O)O Tox21_202839 -NCGC00255834-01 196711115 tox21-ror-cho-viability-p1 set2 -1.1 1.7228934059 -92.8622173926 -1.0138467849 -93.8760641775 2.8472712143 0.9862577421 5.3E-9 -14.11659256 4.20448783 2.07458467 4.0041246 -0.87413364 -0.21402233 -0.61384648 -0.66994732 -14.80046991 -40.22011017 -89.27746951 -88.85931586 -89.68853432 -97.18019066 -94.21940328 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-64-5 16683023 144212321 A Phenylmercuric lactate CC(O)C(=O)O[Hg]c1ccccc1 Tox21_302004 -NCGC00256222-01 196711123 tox21-ror-cho-viability-p1 set2 4 4.33200241 -0.45829385 -2.484076 -0.7543867 -3.87157266 0.01705804 -0.1355978 1.47770242 0.55876048 -4.30676161 0.92423203 1.17938546 1.84373146 1.39538586 -2.7355554 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18127-01-0 64832 144211566 A A 3-(4-tert-Butylphenyl)propanal CC(C)(C)c1ccc(CCC=O)cc1 Tox21_301249 -NCGC00260485-01 196711515 tox21-ror-cho-viability-p1 set2 2.4 54.371879846 24.1437941121 0.8562058879 25 1.9673362061 0.8137027717 0.0059275126 2.58407644 -3.45316176 -0.12178738 4.42448022 -1.75554653 -0.28151351 2.7395044 0.32894156 -1.55030605 4.87371067 3.69466107 1.04620262 3.97799284 8.64621664 19.2284458 1.1779999999E-9 2.635E-9 5.891E-9 1.3169999999E-8 2.9459999999E-8 6.587E-8 1.4729999999E-7 3.2929999999E-7 7.364E-7 0.0000016469999999 0.0000036819999999 0.000008233 0.000018409999999 0.00004117 0.000092049999999 6674-22-2 81184 144210137 A A 1,8-Diazabicyclo[5.4.0]undec-7-ene C1CCC2=NCCCN2CC1 Tox21_202939 -NCGC00259215-01 196708443 tox21-ror-cho-viability-p1 set2 4 2.94823544 -1.52407369 -0.93204667 3.28102825 2.11076599 0.23375881 2.44587572 3.25387678 3.55556903 -1.94548535 1.08653437 3.21491407 0.76295255 3.39123378 3.42765524 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 4433-79-8 78170 144208864 A C N-(4-Chloro-2,5-dimethoxyphenyl)-3-oxobutanamide COc1cc(NC(=O)CC(C)=O)c(cc1Cl)OC Tox21_201666 -NCGC00258981-01 196708433 tox21-ror-cho-viability-p1 set2 4 31.0745746132 25.70644784 3.29355216 29 0.7999999999 0.6593942247 0.0587393825 7.53093336 7.79736028 8.86739212 1.5726746 -2.2553732 1.33707789 7.62074839 9.85796676 0.34281428 2.31812806 9.54702317 12.50279442 11.43153361 16.87776239 22.12487048 1.194E-9 2.6689999999E-9 5.969E-9 1.335E-8 2.985E-8 6.6739999999E-8 1.4919999999E-7 3.337E-7 7.4609999999E-7 0.000001668 0.0000037309999999 0.000008342 0.00001865 0.00004171 0.000093269999999 818-61-1 13165 144208628 A A 2-Hydroxyethyl acrylate C=CC(=O)OCCO Tox21_201430 -NCGC00258866-01 196708442 tox21-ror-cho-viability-p1 set2 4 24.4603135873 15.4716570199 -3.4716570199 12 0.6 0.5541794266 0.1326125667 -0.64367693 -1.22064986 -4.85901702 -13.72638085 -1.41343213 -0.97792226 -0.43288301 -1.1257202 -1.59131764 -0.22365233 0.50673279 0.54924718 1.18502963 7.05739093 8.1732978 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.962E-8 6.622E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 140-49-8 8805 144208512 FNS 4'-(Chloroacetyl)acetanilide O=C(C)Nc1ccc(cc1)C(=O)CCl Tox21_201314 -NCGC00259658-01 196708845 tox21-ror-cho-viability-p1 set2 4 -3.77669343 -3.51565414 1.05173976 -3.64455511 -2.73318946 -2.33575139 -5.44703091 2.82165377 -4.24086417 2.07964848 -4.62918788 -2.13389227 -3.67906177 -2.05893785 -3.45694385 1.1699999999E-9 2.617E-9 5.852E-9 1.3079999999E-8 2.926E-8 6.542E-8 1.463E-7 3.271E-7 7.315E-7 0.0000016359999999 0.000003657 0.000008178 0.00001829 0.000040889999999 0.00009143 118-56-9 8362 144209307 A F 3,3,5-Trimethylcyclohexyl salicylate O=C(OC1CC(C)CC(C)(C)C1)c2ccccc2O Tox21_202109 -NCGC00259575-01 196709258 tox21-ror-cho-viability-p1 set2 4 2.41444277 0.46152299 1.00624067 2.86101977 0.3067984 0.50933721 1.21503569 1.08415729 4.61323017 0.64228352 1.46255416 1.30993948 0.2275504 -0.76117385 0.28096953 1.173E-9 2.6229999999E-9 5.865E-9 1.311E-8 2.9319999999E-8 6.557E-8 1.466E-7 3.279E-7 7.3309999999E-7 0.0000016389999999 0.0000036659999999 0.000008197 0.00001833 0.00004098 0.00009164 1095-90-5 14184 144209224 A A Methadone hydrochloride Cl.CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2 Tox21_202026 -NCGC00258888-01 196709259 tox21-ror-cho-viability-p1 set2 4 0.24235526 0.1127354 -0.74378388 -3.732299 -4.52780728 1.03757489 1.12254861 0.23430945 -0.20308623 -0.40051332 -3.42707083 -1.01929205 -0.34527238 -1.16864977 -7.59628575 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.938E-8 6.568E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.000041049999999 0.0000918 91-53-2 3293 144208534 A A Ethoxyquin CCOc1ccc2NC(C)(C)C=C(C)c2c1 Tox21_201336 -NCGC00095043-07 196705543 tox21-ror-cho-viability-p1 set1 4 -6.88831617 -2.82980246 -1.03301458 -2.79079508 -2.96898074 -0.09370441 -2.63070054 -1.34566529 1.18601423 -3.62380867 -0.35384268 0.76515023 1.02171663 -1.54034846 0.34963934 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 319-89-1 5424 170466433 Bc Tetroquinone OC=1C(=O)C(O)=C(O)C(=O)C=1O Tox21_111400_1 -NCGC00090827-04 196705142 tox21-ror-cho-viability-p1 set1 4 2.0628238 1.80528908 -0.31936261 4.87956425 -1.35869455 1.28268603 1.07885775 6.32885885 4.16404962 2.97633257 2.24935518 5.49198011 -0.30223773 2.96308231 7.64769075 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00263656-01 196705536 tox21-ror-cho-viability-p1 set1 4 3.75366279 2.43156835 1.09077512 0.51250161 -0.63476767 0.34997018 1.14863639 -0.02583488 0.27478292 0.76302094 3.48985382 0.27158019 2.3207329 3.44928064 4.3034166 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 630-60-4 439501 170465763 A Ouabain O=C1C=C(CO1)[C@H]2CC[C@]3(O)[C@@H]4CC[C@]5(O)C[C@H](C[C@@H](O)[C@]5(CO)[C@H]4[C@H](O)C[C@]23C)O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O Tox21_112057_1 -NCGC00181170-02 196705539 tox21-ror-cho-viability-p1 set1 4 6.11623965 9.22308008 2.33528335 0.34954338 2.8619853 -0.14324601 3.93140841 7.11444084 5.48166226 5.72135926 -0.7578995 5.032183 -4.1379712 0.57880049 5.80952483 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16506-27-7 65628 170465340 A Bendamustine ClCCN(CCCl)c1cc2nc(CCCC(=O)O)n(C)c2cc1 Tox21_112771_1 -NCGC00022662-05 196705552 tox21-ror-cho-viability-p1 set1 4 1.63712884 -0.09597118 -0.02444392 1.9135474 1.36379661 -0.02784755 0.2788623 0.60353483 6.18311599 -0.03442841 3.53507069 1.90333355 7.21739473 2.32014187 2.05867279 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1177-87-3 236702 170466872 A Dexamethasone acetate CC(=O)OCC(=O)[C@@]4(O)[C@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_112928_1 -NCGC00259618-01 196705953 tox21-ror-cho-viability-p1 set1 4 60.6335692464 -30.617489728 4.5 -26.117489728 0.9999999999 0.5910854593 0.1033638433 8.32098568 8.05868123 0.53224194 3.97914619 3.69993285 4.24695827 2.29179871 0.56335249 2.26809326 13.57629876 0.14432128 0.69311566 -9.92255082 0.97430977 -18.43124144 1.172E-9 2.622E-9 5.862E-9 1.311E-8 2.931E-8 6.554E-8 1.466E-7 3.277E-7 7.328E-7 0.0000016379999999 0.000003664 0.000008192 0.00001832 0.00004096 0.00009159 58-89-9 727 144209267 A Ac Lindane Cl[C@H]1[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H]1Cl Tox21_202069 -NCGC00259321-01 196705958 tox21-ror-cho-viability-p1 set1 4 1.21272106 -1.38193266 -1.61369049 3.36993073 -0.69516517 2.98385383 3.91007142 4.19911091 0.28757619 12.16239333 4.15978541 0.57774068 1.21899936 -2.07502807 4.58072878 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.0000036659999999 0.000008198 0.00001833 0.00004099 0.000091659999999 85-02-9 6796 144208970 A A Benzo(f)quinoline c2cc1ncccc1c3ccccc23 Tox21_201772 -NCGC00256963-01 196727571 tox21-ror-cho-viability-p1 set3 4 -0.45898832 -1.59630731 -3.60626439 -4.37407144 -2.46497341 -0.99234631 -2.6475208 1.40335804 -1.68206523 0 -0.84091793 -0.56140481 2.47842408 -5.42771995 -3.55032336 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 586-62-9 11463 144213585 F F Terpinolene C/C(C)=C1\CC=C(C)CC1 Tox21_303268 -NCGC00090698-04 196727981 tox21-ror-cho-viability-p1 set3 4 12.1971512362 -14.689629448 4 -10.689629448 0.7999999999 0.5503364725 0.1354429456 0 8.22375202 2.2109318 2.22580372 5.39808278 6.12034224 7.70520515 1.85529037 -4.20212968 7.03804793 -5.13445371 3.54105735 -7.25102971 -5.74465982 -8.90802454 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00256435-01 196727560 tox21-ror-cho-viability-p1 set3 4 0.13801689 1.22576644 -0.74459087 -0.29977411 0.33643242 0.95431103 1.37485522 -0.63641323 0.92868014 4.52349621 5.18885174 1.62622674 -0.1311026 -1.33352051 -4.63324225 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 298-81-7 4114 144213133 A A 8-Methoxypsoralen COc1c3occc3cc2C=CC(=O)Oc12 Tox21_302816 -NCGC00090789-02 196727566 tox21-ror-cho-viability-p1 set3 4 2.54417665 2.65124683 -2.41996442 0.1710312 -2.61642577 -0.09439928 -0.35627902 -3.19095821 -1.51115757 -2.70230985 0.41043647 5.30145888 1.73388851 1.48243916 5.98208844 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00256303-01 196728402 tox21-ror-cho-viability-p1 set3 4 -0.82634646 2.5275768 -1.81517819 -11.26573254 -4.34368063 6.09981773 2.44938266 8.13901505 -2.78860271 -0.4308337 -3.31166101 -0.04847178 -2.51871434 9.7129889 1.18813426 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 41532-84-7 170530 144212276 A A 1,1,2-Trimethyl-1H-benzo[e]indole CC3(C)c2c(ccc1ccccc12)N=C3C Tox21_301959 -NCGC00255835-01 196728412 tox21-ror-cho-viability-p1 set3 4 0.79698539 -0.87157953 -7.95635207 -8.91775189 -3.0950499 -3.06373808 0.43530666 -5.53193775 1.91673613 2.72062196 -2.48546424 -5.07065661 -6.32881738 -4.76714886 0.96725773 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 138786-67-1 15008962 144212679 A A Pantoprazole sodium [Na+].COc3c(OC)ccnc3CS(=O)c1[n-]c2ccc(cc2n1)OC(F)F Tox21_302362 -NCGC00255971-01 196728809 tox21-ror-cho-viability-p1 set3 4 -0.40042795 4.15426126 0.34756651 5.85077545 -3.33398835 3.20922639 0.05187528 7.36222481 9.28572195 3.10451404 -0.85598027 10.91707107 5.62710221 -0.38474099 -5.5185619 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7758-09-0 516910 144211639 Potassium nitrite [K+].[O-]N=O Tox21_301322 -NCGC00255123-01 196728824 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -25.278774968 -1 -26.278774968 3.2474983358 0.7262468198 0.0275204875 0.82060802 4.68366695 2.48254433 -1.42690999 -1.05334119 -0.63443484 -0.44802817 1.31379377 -2.06992673 -8.0657412 -1.75275307 -4.93056906 -2.15742079 -4.91021343 -19.39897914 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84-16-2 192197 144211773 A A meso-Hexestrol Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c2ccc(O)cc2 Tox21_301456 -NCGC00257956-01 196729225 tox21-ror-cho-viability-p1 set3 4 0.25732527 1.79331627 -0.1006282 2.63810029 2.87104252 2.6694586 -0.16538576 1.5001155 0.78222965 4.4886571 0.00575664 1.6182365 1.80382193 -0.07852418 0.76536305 1.218E-9 2.7239999999E-9 6.0899999999E-9 1.3619999999E-8 3.045E-8 6.809E-8 1.5229999999E-7 3.405E-7 7.6129999999E-7 0.000001702 0.000003806 0.0000085109999999 0.00001903 0.00004256 0.000095159999999 106-44-5 2879 144207600 A A p-Cresol Cc1ccc(O)cc1 Tox21_200402 -NCGC00258460-01 196729226 tox21-ror-cho-viability-p1 set3 -1.1 27.2504920471 -75.518041591 -1.158402282 -76.676443873 2.3331733767 0.9114064243 0.0001743954 0.02898275 2.56959837 0.76452071 -5.56849829 0.00253027 -1.52401243 -0.11298873 0.79273463 -1.74570015 0 0 -24.80138763 -9.57226903 -64.13594632 -69.01442445 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 55-55-0 5930 144208104 FNS N-Methyl-p-aminophenol sulfate CNc1ccc(O)cc1.O=S(=O)(O)O.CNc1ccc(O)cc1 Tox21_200906 -NCGC00258033-01 196729232 tox21-ror-cho-viability-p1 set3 4 -4.5261484 -3.39776498 -4.43702206 -0.97901391 -4.1066584 -4.67116522 -0.65960579 -5.95097628 0.07925755 -0.86829028 -0.17709249 1.3302894 -1.67209874 1.47365607 2.6207505 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.3529999999E-7 0.0000016439999999 0.0000036769999999 0.000008221 0.000018379999999 0.00004111 0.00009192 7529-22-8 82029 144207677 A 4-Methylmorpholine 4-oxide [O-][N+]1(C)CCOCC1 Tox21_200479 -NCGC00258070-01 196729235 tox21-ror-cho-viability-p1 set3 4 -6.4140868 -6.90545207 -0.75246475 -0.36110414 0.08378153 1.43319435 1.16133413 -0.8153601 0.39830832 -0.37188498 2.29429175 1.41661301 1.23458884 -1.15755384 -1.88349061 1.183E-9 2.6459999999E-9 5.916E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.395E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 64-75-5 54704426 144207714 I I Tetracycline hydrochloride Cl.NC(=O)C1=C(O)[C@@H](N(C)C)[C@@H]2C[C@H]4C(=C(O)[C@]2(O)C1=O)C(=O)c3c(O)cccc3[C@@]4(C)O Tox21_200516 -NCGC00258665-01 196729237 tox21-ror-cho-viability-p1 set3 4 2.00848253 -0.94155857 2.76498511 1.66208363 0.81047205 -0.94947703 2.8932367 -0.34972009 3.28139734 0.04299465 1.31010192 -0.88287623 -2.04513856 0.06210611 -3.02174591 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.386E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 106-42-3 7809 144208311 FNS para-Xylene Cc1ccc(C)cc1 Tox21_201113 -NCGC00091650-03 196701243 tox21-ror-cho-viability-p1 set1 4 96.8854161011 -33.505454056 -4 -37.505454056 0.3 0.4082459002 0.2636598122 -0.09190356 -7.0537641 -4.49179532 -5.84168109 -12.3276955 0.50090016 -13.59626305 -16.67470451 -19.71313307 -4.47579231 -8.15390801 -12.80182742 -7.94452692 -17.60724961 -29.58787838 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00255338-01 196700819 tox21-ror-cho-viability-p1 set1 4 -1.62374393 1.1217024 3.5852192 4.58632609 0.84346318 3.21376866 3.50829414 2.84239982 5.37798428 -0.28732956 4.01941988 3.82642618 1.08339348 -2.73486213 1.70419183 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3383-96-8 5392 144212095 F F Temephos COP(=S)(OC)Oc1ccc(cc1)Sc2ccc(cc2)OP(=S)(OC)OC Tox21_301778 -NCGC00257530-01 196701237 tox21-ror-cho-viability-p1 set1 4 -1.68357265 -1.54340267 -7.56203127 -2.62735619 -2.97379795 -0.38835897 -1.29359242 -3.53755308 -1.3792027 -1.62288407 0.41515309 -1.31218627 -3.73904877 -0.40191646 2.15805575 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 133-32-4 8617 144211604 A A Indole-3-butyric acid O=C(O)CCCc2cnc1ccccc12 Tox21_301287 -NCGC00255910-01 196701242 tox21-ror-cho-viability-p1 set1 4 0.0273060203 3.4278299719 -1.4278299719 2 3.6772481694 0.3207614827 0.368288379 1.78783107 -0.89340881 -4.93985831 -1.05307574 0.51884059 0.85547859 3.42330992 5.65731036 -1.0425889 4.85914659 0.01663688 2.48013511 2.08083145 -0.25154892 0.84671001 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1754-62-7 637520 144211701 A F Methyl (E)-cinnamate O=C(/C=C/c1ccccc1)OC Tox21_301384 -NCGC00258061-01 196702054 tox21-ror-cho-viability-p1 set1 4 31.2307935678 10.494580688 0.505419312 11 0.8999999999 0.5994925309 0.0990426667 3.89864062 0.22865461 0.39768033 -0.26452978 -3.32881724 1.79763775 1.62769025 4.08424895 0.45532201 -0.24870287 -0.26681874 5.28976487 4.35785519 6.06172427 8.38866347 1.1989999999E-9 2.6809999999E-9 5.9959999999E-9 1.3409999999E-8 2.998E-8 6.704E-8 1.4989999999E-7 3.352E-7 7.495E-7 0.000001676 0.000003747 0.00000838 0.000018739999999 0.000041899999999 0.000093689999999 81-16-3 6670 144207705 A B 2-Amino-1-naphthalenesulfonic acid O=S(=O)(O)c2c(N)ccc1ccccc12 Tox21_200507 -NCGC00258081-01 196702468 tox21-ror-cho-viability-p1 set1 4 27.5283213152 6.6248537559 -0.1248537559 6.5 4.9549173134 0.440139516 0.2363303295 5.34547851 2.01883837 -5.93737813 -1.51951793 -0.46957304 -0.97701649 0.21190515 0.26727907 -1.73811487 -0.90857108 2.14288347 1.23007385 0.13101908 6.57775227 5.70208964 1.188E-9 2.656E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.641E-8 1.4849999999E-7 3.32E-7 7.425E-7 0.0000016599999999 0.000003712 0.0000083009999999 0.00001856 0.0000415 0.00009281 99-06-9 7420 144207725 A A 3-Hydroxybenzoic acid OC(=O)c1cc(O)ccc1 Tox21_200527 -NCGC00257818-01 196702472 tox21-ror-cho-viability-p1 set1 4 0.6843485 0.2028789 -0.0857838 -0.02227318 -0.13012385 -1.58440169 -1.16598436 -3.22278416 7.22039894 0.29513533 0.13582161 0.78371415 7.35890533 -0.78490748 7.72806856 1.158E-9 2.5899999999E-9 5.79E-9 1.2949999999E-8 2.8949999999E-8 6.474E-8 1.448E-7 3.2369999999E-7 7.238E-7 0.000001618 0.000003619 0.000008092 0.000018089999999 0.00004046 0.000090469999999 3710-84-7 19463 144207462 D N,N-Diethylhydroxylamine CCN(O)CC Tox21_200264 -NCGC00258728-01 196702476 tox21-ror-cho-viability-p1 set1 4 2.02591903 0.96632628 -3.39520629 3.65934278 0.90959262 0.97294403 4.1781093 7.08938856 -0.32216541 1.09604761 3.636365 3.5390519 2.28762903 -0.35608184 5.39482311 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.315E-8 2.94E-8 6.573E-8 1.4699999999E-7 3.2869999999E-7 7.3489999999E-7 0.000001643 0.000003674 0.0000082159999999 0.00001837 0.00004108 0.000091859999999 10563-29-8 82728 144208374 A A Dimethyldipropylenetriamine CN(C)CCCNCCCN Tox21_201176 -NCGC00016345-08 196722825 tox21-ror-cho-viability-p1 set3 4 -12.85317787 0 0 7.5303915 8.35493798 -5.28212879 2.41140131 -5.81259714 0.1461465 -9.61997142 -5.62818079 -9.45470865 21.85771301 -8.38810574 4.01061379 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 90-33-5 5280567 170465819 A 4-Methylumbelliferone Oc1ccc2c(c1)OC(=O)C=C2C Tox21_110385_1 -NCGC00090858-02 196722411 tox21-ror-cho-viability-p1 set3 4 -0.223955 -1.61279319 -1.35802351 -0.30515222 -1.63396362 0.97182088 -2.31851556 -2.61384643 0.72349518 1.82184626 7.10915612 3.43222137 -2.6869306 -6.29875703 5.91275444 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00092357-03 196722429 tox21-ror-cho-viability-p1 set3 4 0.0749780386 14.5821571639 -9.5821571639 5 2.3331733767 0.5022359212 0.1760666542 0.90384257 -0.59984901 -21.76228294 -22.98513097 0 -11.61100766 0 0 7.91309241 5.09227391 6.8248571 4.41997595 2.80324824 2.83437282 6.9711453 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84485-00-7 64764 170465162 A Sibutramine hydrochloride Cl.CN(C)C(CC(C)C)C1(CCC1)c2ccc(Cl)cc2 Tox21_111448_1 -NCGC00091830-04 196722822 tox21-ror-cho-viability-p1 set3 4 1.5355303643 -8.929992052 0.5 -8.429992052 3.1319983358 0.824181629 0.0067567324 -0.58255661 0.40565956 -1.20538974 0.1238586 0.57220207 -1.39072352 4.59028105 -0.15798926 2.33200865 -5.48376864 -7.46975049 -6.12633649 -11.60832671 -8.33969733 -3.78209224 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00253587-01 196712778 tox21-ror-cho-viability-p1 set2 4 0.43862641 0.40814854 0.12248789 -0.71482955 -0.75304354 -1.28973721 0.05204331 0.63269689 -0.0505291 2.41502266 2.58062703 -1.42362734 1.99022528 0.36260893 0.91084185 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 184036-34-8 216235 170465720 F B Sitaxentan O=C(Cc1cc2OCOc2cc1C)c3sccc3S(=O)(=O)Nc4onc(C)c4Cl Tox21_113725 -NCGC00260347-01 196711952 tox21-ror-cho-viability-p1 set2 -2.1 48.3602777053 -95.7638850701 3.5834485569 -92.1804365132 3.0654483358 0.993445131 1E-10 3.56481495 2.3140865 2.80860382 0.11068174 3.40221989 5.5670787 4.16245188 7.51251635 2.656625 4.33243316 1.5907894 2.98019971 1.95523675 -32.57348046 -80.81851251 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004107 0.00009184 130-61-0 66062 144209999 A A Thioridazine hydrochloride Cl.CN4CCCCC4CCN1c3ccccc3Sc2ccc(SC)cc12 Tox21_202801 -NCGC00091663-03 196712764 tox21-ror-cho-viability-p1 set2 4 34.3762428541 10.891807752 -1.891807752 9 0.9999999999 0.7573399923 0.0178343348 0.91267134 -0.03030991 -2.64011283 -4.07650646 -2.86775878 -2.3043525 -3.82076618 -1.68356508 -3.74022974 0.19891879 0.18484783 0.28090058 0.91206425 4.40753951 6.3749187 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00015947-08 196712765 tox21-ror-cho-viability-p1 set2 4 -6.1772989 -4.48021718 -3.61714406 -0.79681126 -3.36876879 2.01489628 -4.20526872 -2.83407375 -5.18013004 1.54102018 -6.13698358 -7.47511652 -1.63055343 -0.37964813 0.04305469 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 115344-47-3 72124 170466829 A Siguazodan N#CN/C(NC)=N/c1ccc(cc1)C2=NNC(=O)CC2C Tox21_110264_1 -NCGC00015014-11 196712780 tox21-ror-cho-viability-p1 set2 4 3.31325065 2.73946496 -0.17169103 -0.98437177 3.91079996 -0.5111113 0.57038439 3.51803584 0.53254386 -1.95662277 0.528662 5.00310402 0.05140417 3.441376 0.04814439 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 968-81-0 1989 170465411 A Acetohexamide O=C(NC1CCCCC1)NS(=O)(=O)c2ccc(cc2)C(C)=O Tox21_110067_1 -NCGC00091238-03 196713201 tox21-ror-cho-viability-p1 set2 4 -3.20170295 -3.96622173 -3.05949925 -2.39812009 -3.91159045 -4.12758999 -0.38731047 -0.77841028 0.042769 -1.88122064 -0.73579681 0.17414684 -1.06813077 -4.69773793 -10.53938927 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 120-78-5 8447 170465723 F 2,2'-Dithiobisbenzothiazole c1cccc2sc(nc12)SSc3nc4ccccc4s3 Tox21_111106_1 -NCGC00023945-12 196713599 tox21-ror-cho-viability-p1 set2 4 5.20397557 -0.4392678 -0.20336565 0.53632917 4.75134819 -1.51317852 1.44388234 0.46910934 6.09191987 0.25393642 0.14044894 0.49700287 0.15803925 0.22957411 0.94463686 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 30516-87-1 35370 170464737 A 3'-Azido-3'-deoxythymidine CC1=CN(C(=O)NC1=O)[C@H]2C[C@H](\N=[N+]=[N-])[C@@H](CO)O2 Tox21_110062_1 -NCGC00179385-03 196713614 tox21-ror-cho-viability-p1 set2 4 -3.24389265 -2.38369092 -3.02175182 0.31985133 -2.32034946 -2.27702074 0.1140245 0.1073906 -0.25096959 -1.59232075 1.07110405 0.09139039 -2.16002431 -1.34108717 -2.61150128 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 22881-35-2 3326 170466076 A Famprofazone CC(Cc1ccccc1)N(C)CC3=C(C(=O)N(c2ccccc2)N3C)C(C)C Tox21_110600_1 -NCGC00182549-02 196713617 tox21-ror-cho-viability-p1 set2 4 0.2113168243 -7.720026244 0 -7.720026244 4.9549173134 0.7952212067 0.0122875668 -1.34357583 0.99453798 1.17920591 3.68118682 -0.54234449 -3.08226811 -2.3387674 -0.49456109 -9.24101374 -6.41197681 -5.23849102 -8.9116438 -7.82488886 -9.35002187 -3.40211111 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 599179-03-0 60196343 170466825 I Vicriviroc (SCH-417690) O=C(O)/C=C\C(=O)O.FC(F)(F)c1ccc(cc1)[C@@H](COC)N2CCN(C[C@H]2C)C3(C)CCN(CC3)C(=O)c4c(C)ncnc4C Tox21_113012_1 -NCGC00255325-01 196710317 tox21-ror-cho-viability-p1 set2 4 4.53476973 0.62533455 3.46109515 3.48969881 0.92203498 2.23753891 1.90083305 0.63222453 0.52216997 1.5238788 0.80522235 -0.15904284 -0.03096811 0.5556765 4.74913794 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1300-73-8 6893 144212153 I Fns Dimethylaniline Cc1cccc(N)c1C Tox21_301836 -NCGC00257548-01 196710293 tox21-ror-cho-viability-p1 set2 2.2 43.2771256911 51.3596371286 -1.86888772 49.4907494086 3.0654483358 0.9794043169 5.63E-8 -3.45736399 -0.12103647 -2.92555996 0.64602413 1.43358395 -1.29141206 -0.5115753 -4.4740731 -0.99440758 -3.21935564 -3.63944654 -3.10607404 -1.15157316 23.36785457 44.59877393 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18851-33-7 2723715 144211603 A A 1,10-Phenanthroline hydrochloride hydrate Cl.O.c1ccnc3c1ccc2cccnc23 Tox21_301286 -NCGC00256015-01 196710296 tox21-ror-cho-viability-p1 set2 4 -3.44332433 -10.20959834 -1.29298334 -7.98519439 -6.37614674 0.59172946 -2.48225267 -4.494516 -5.17517159 0.25429286 -2.10982084 -2.52397827 -3.64237453 -2.21415566 -4.86663625 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3570-55-6 77117 144211919 F A 2,2'-Sulfanediyldiethanethiol SCCSCCS Tox21_301602 -NCGC00256292-01 196710301 tox21-ror-cho-viability-p1 set2 4 2.98285769 0.28459315 -0.37749718 2.60641276 5.07883493 4.48292273 -0.46807217 -0.39796387 -0.78396311 0.89738537 0.38885968 0.93215356 0.18854614 3.48523035 9.41240075 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55-16-3 6852406 144212543 A A Scopolamine hydrochloride Cl.OC[C@H](c1ccccc1)C(=O)O[C@H]2C[C@@H]3N(C)[C@H](C2)[C@H]4O[C@@H]34 Tox21_302226 -NCGC00256648-01 196707213 tox21-ror-cho-viability-p1 set1 4 0.0306378587 -4.9187699799 2.5 -2.4187699799 1.0999999999 0.3140305235 0.372149083 1.09502727 4.02952417 1.63946632 0.39841464 -1.05135448 1.08788816 -0.64019775 -4.55630886 -0.1040898 -9.51564165 -5.20262602 0.0029539 0.14692962 0.85557405 3.34934318 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 38462-22-5 61982 144212896 F F p-Mentha-8-thiol-3-one CC1CC(=O)C(CC1)C(S)(C)C Tox21_302579 -NCGC00257474-01 196707212 tox21-ror-cho-viability-p1 set1 4 68.5896218971 17 1 18 0.3 0.6407391625 0.0706224659 2.64411489 0.29203099 3.52553666 1.25853005 0.95985224 1.33383909 4.29864911 4.05596507 8.73914589 2.82998559 6.98673448 4.77662146 8.62821442 5.64225235 13.42884919 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 107-18-6 7858 144213815 AC Ac Allyl alcohol C=CCO Tox21_303507 -NCGC00244580-01 196707214 tox21-ror-cho-viability-p1 set1 4 38.5707788719 -19.0972068 -1.5 -20.5972068 1.0999999999 0.4694437342 0.2062711685 0.77369107 -2.03821046 0.39214415 -0.2311733 -0.35043684 1.27879076 -3.19452781 -13.72183902 0.30567173 0.09410345 -1.0668498 -12.59150877 0.02497543 -12.64459219 -17.164339 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00257101-01 196707219 tox21-ror-cho-viability-p1 set1 4 5.12077831 0.8398673 1.42405767 1.42643098 2.51852204 3.17119002 0.74633574 5.03314856 6.4566999 1.50462561 1.1358712 8.73151043 4.41438806 7.84819631 3.91643404 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3709-43-1 19458 144213386 A Disodium 4,4'-dinitro-2,2'-stilbenedisulfonate [Na+].[Na+].O=S([O-])(=O)c2cc(ccc2C=Cc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)[N+]([O-])=O Tox21_303069 -NCGC00256685-01 196707221 tox21-ror-cho-viability-p1 set1 4 -5.52900905 -4.14988349 -3.29162191 -14.10574587 -7.32741007 -5.80098605 -9.19372479 -14.60418376 -11.10803947 -7.738538 -8.8401073 -4.37964134 -2.30610588 -5.98714638 -3.52868777 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 143-13-5 8918 144212853 A Ac Nonyl acetate CC(=O)OCCCCCCCCC Tox21_302536 -NCGC00257513-01 196707625 tox21-ror-cho-viability-p1 set1 4 -0.29085384 6.85051231 -5.08454295 -0.75810471 -3.1193422 0.4156883 -0.73204425 -2.58175097 -0.67962952 1.18725189 -3.68487302 -5.67556042 -2.43116336 -1.74817668 -1.81838101 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 116-53-0 8314 144213889 A 2-Methylbutanoic acid CC(CC)C(=O)O Tox21_303584 -NCGC00257097-01 196707632 tox21-ror-cho-viability-p1 set1 4 -0.53970774 0.57499538 -9.65308701 -1.57443223 1.44812065 -0.72080185 0.02994875 0.02180377 2.87016455 1.95746383 -5.48843169 -5.24518934 -0.00028459 1.54965594 6.40786616 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-09-3 7635 144213635 A A 2-Ethylhexyl acetate O=C(C)OCC(CCCC)CC Tox21_303318 -NCGC00258785-01 196705572 tox21-ror-cho-viability-p1 set1 4 7.19688699 -3.45634331 -0.19230964 -0.77017796 0.7922707 5.1219468 0.83040796 5.28858988 5.84802277 0 -6.0845534 -2.85595515 0.78978073 0.8607043 5.60160771 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 134-32-7 8640 144208431 A A 1-Naphthylamine Nc2cccc1ccccc12 Tox21_201233 -NCGC00091902-08 196705168 tox21-ror-cho-viability-p1 set1 4 -0.0420568 0.34119798 -2.41370439 1.33930147 0.23091237 5.17989066 1.33346558 0.36683859 0.57736424 1.68753924 0.99775376 5.03756195 0.59527229 -0.03802691 -4.399859 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00259012-01 196705561 tox21-ror-cho-viability-p1 set1 4 5.20653585 -0.25989741 5.74803566 3.07429251 1.52414952 -1.36317202 2.86184212 0.68367676 4.45366896 13.90708387 3.13662721 3.87585672 0.05497636 6.56952597 2.46620669 1.16E-9 2.5929999999E-9 5.799E-9 1.297E-8 2.8989999999E-8 6.4829999999E-8 1.45E-7 3.2419999999E-7 7.2489999999E-7 0.000001621 0.000003624 0.0000081039999999 0.00001812 0.00004052 0.00009061 110-05-4 8033 144208659 FNS Di-tert-butyl peroxide CC(C)(C)OOC(C)(C)C Tox21_201461 -NCGC00259131-01 196705562 tox21-ror-cho-viability-p1 set1 4 0.1523046399 14.718732064 -11.718732064 3 0.3 0.4243647562 0.2490912836 -10.92385266 -6.1095842 -8.5655934 -11.43227672 1.68436721 -4.15681827 -5.28694841 -7.81389141 0.27361094 -9.54014466 5.47130071 -0.73222287 -0.02627202 0.07837822 1.38936568 1.172E-9 2.621E-9 5.8609999999E-9 1.311E-8 2.9299999999E-8 6.553E-8 1.465E-7 3.276E-7 7.326E-7 0.0000016379999999 0.0000036629999999 0.000008191 0.00001832 0.00004095 0.00009158 122-78-1 998 144208780 D Phenylacetaldehyde O=CCc1ccccc1 Tox21_201582 -NCGC00259171-01 196705576 tox21-ror-cho-viability-p1 set1 4 0.0030700184 21.84868702 -23.34868702 -1.5 0.4 0.5050679956 0.1908081068 -16.82272116 -11.46206361 -5.26718013 -18.62390585 -4.20942942 -0.85512734 -8.80731821 -2.6696516 -6.60176622 -2.30993454 -6.39529485 0 0.3280147 -3.68625093 -19.46155001 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004128 0.00009231 298-07-7 9275 144208820 A A Bis(2-ethylhexyl) phosphate CCCCC(COP(O)(=O)OCC(CC)CCCC)CC Tox21_201622 -NCGC00257559-01 196730072 tox21-ror-cho-viability-p1 set3 4 1.7246456494 7.271233492 -4.271233492 3 4.9549173134 0.401580609 0.2706918305 -8.01780818 -5.2991336 -4.44037187 4.02905844 -0.85148536 -7.55567142 -6.75514502 2.23406777 -12.72602791 -0.65740117 3.27917471 0 6.57690007 5.71787572 -0.08641513 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.302E-7 7.3839999999E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.0000923 5493-45-8 21660 144207203 A B 1,2-Cyclohexanedicarboxylic acid, bis(oxiranylmethyl) ester O=C(OCC1CO1)C2CCCCC2C(=O)OCC3CO3 Tox21_200005 -NCGC00258770-01 196730490 tox21-ror-cho-viability-p1 set3 4 0.81225114 -6.24831459 0.11468591 -0.71195646 -0.77200078 1.53887961 0.47825322 -1.76877689 -6.82250878 0.10043623 1.69521143 -0.96460782 1.45667297 0.57746007 2.63800106 1.187E-9 2.6549999999E-9 5.936E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.3189999999E-7 7.42E-7 0.000001659 0.0000037099999999 0.0000082959999999 0.00001855 0.000041479999999 0.00009276 431-03-8 650 144208416 D 2,3-Butanedione CC(=O)C(C)=O Tox21_201218 -NCGC00258186-01 196730496 tox21-ror-cho-viability-p1 set3 -2.2 52.9350070188 -46.467712228 -0.5025317039 -46.9702439319 3.9294729863 0.8442587947 0.0026697676 1.21639044 0.72888533 -3.48372869 -5.03732806 -3.02375868 2.48113948 -4.40779845 -4.36723812 -1.31794079 -2.53452876 1.91460384 1.76312348 13.38555685 -14.50866514 -41.63976019 1.152E-9 2.576E-9 5.7609999999E-9 1.288E-8 2.8799999999E-8 6.4409999999E-8 1.44E-7 3.22E-7 7.2009999999E-7 0.00000161 0.0000036 0.000008051 0.000018 0.000040249999999 0.00009001 452-86-8 9958 144207830 A A 4-Methylcatechol Cc1cc(O)c(O)cc1 Tox21_200632 -NCGC00258470-01 196729311 tox21-ror-cho-viability-p1 set3 4 1.9075899569 -10.371122124 -1 -11.371122124 4.9549173134 0.5149284704 0.1651732963 0.90764902 1.17321468 -3.03713798 -0.53051329 -1.23460419 -0.22047491 -3.46562943 -0.79495516 -2.48892551 -1.6899027 -19.73392767 -22.39260177 -4.76924771 -3.49121096 -8.35197341 1.167E-9 2.609E-9 5.8329999999E-9 1.304E-8 2.917E-8 6.522E-8 1.458E-7 3.261E-7 7.2909999999E-7 0.0000016299999999 0.000003646 0.000008152 0.00001823 0.000040759999999 0.00009114 625-69-4 12262 144208114 A I 2,4-Pentanediol CC(O)CC(C)O Tox21_200916 -NCGC00258004-01 196729304 tox21-ror-cho-viability-p1 set3 4 0.53748979 -1.34738488 -1.46925167 0.95675886 0.29511537 1.7392183 0.93890091 -0.15681163 1.02053467 2.19665816 2.60272358 2.1399568 0.1534757 1.04537469 -2.61148023 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.331E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 629-11-8 12374 144207648 A A 1,6-Hexanediol OCCCCCCO Tox21_200450 -NCGC00258602-01 196729308 tox21-ror-cho-viability-p1 set3 4 0.0017211415 9.9147071 -8.4147071 1.5 4.0949729863 0.6897863848 0.0443593257 -6.59558925 0.1272961 1.00378081 0.49961558 0.36620091 -0.73705645 1.62433941 1.5944366 5.48109744 1.58727499 0.15405823 2.17030997 2.10310636 0.42879383 1.7653262 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.593E-8 1.474E-7 3.297E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009214 121-59-5 8480 144208247 A A Carbarsone O=C(N)Nc1ccc(cc1)[As](O)(O)=O Tox21_201049 -NCGC00258570-01 196729310 tox21-ror-cho-viability-p1 set3 -2.1 57.9123141644 -74.8142601985 1.7438860269 -73.0703741716 3.9899729863 0.9904659379 6E-10 -1.368953 1.81334908 -0.63289538 3.37508473 1.5313024 -0.44131033 2.1754699 3.70532933 2.62094297 2.59415972 1.18891035 3.63572465 2.94311805 -10.78407177 -61.41695013 1.128E-9 2.5219999999E-9 5.639E-9 1.2609999999E-8 2.819E-8 6.304E-8 1.4099999999E-7 3.1519999999E-7 7.0479999999E-7 0.000001576 0.000003524 0.0000078799999999 0.00001762 0.000039399999999 0.00008811 843-55-0 232446 144208215 A A Bisphenol Z Oc1ccc(cc1)C2(CCCCC2)c3ccc(O)cc3 Tox21_201017 -NCGC00260446-01 196702902 tox21-ror-cho-viability-p1 set1 -3 68.5198756601 -42.3454223273 -0.546942945 -42.8923652723 4.5044702849 0.8961059456 0.0003902721 -2.952159 -1.26795581 -1.54042033 4.33721578 0.84044508 -0.11321526 -5.52391826 6.42786971 1.9675482 0.1376186 -1.16307436 -3.07356622 -2.26926808 -4.78028645 -34.04155974 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 2243-61-0 16719 144210098 F Fns 1,4-Naphthalenediamine Nc1ccc(N)c2ccccc12 Tox21_202900 -NCGC00357246-01 196702899 tox21-ror-cho-viability-p1 set1 4 -0.61998348 -0.35747214 -0.02426199 0.3242897 -2.80357008 -1.54292137 -3.88565039 2.51072607 -1.87539245 -1.44629541 -0.53816135 -0.19519277 0.1561878 0.2257253 -4.30300367 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7005-72-3 23436 251919936 A 1-Chloro-4-phenoxybenzene Clc2ccc(Oc1ccccc1)cc2 Tox21_304039 -NCGC00356942-01 196702901 tox21-ror-cho-viability-p1 set1 4 -11.86197376 -4.64046723 -11.01916971 -7.53200742 -8.40245868 1.17439037 2.48415412 3.29339823 -0.35024917 -0.97574191 -3.72219717 -7.17840321 -11.56144411 -14.90008494 -11.94337252 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6358-09-4 4679699 251919776 Ac 2-Amino-6-chloro-4-nitrophenol Nc1cc(cc(Cl)c1O)[N+]([O-])=O Tox21_303798 -NCGC00090702-02 196703299 tox21-ror-cho-viability-p1 set1 4 -4.53050848 -1.38215264 -1.61019969 -2.89301738 0.54980857 -5.37840369 -3.644873 -1.64423701 -3.57029399 -7.49709278 1.79838071 -2.76199757 -4.54235367 -11.59595861 -4.91882916 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00260108-01 196703298 tox21-ror-cho-viability-p1 set1 4 -3.78419635 -1.96188877 -1.52475747 -1.06038956 -4.55511098 -7.71005598 -0.88228837 -0.09155123 1.83014804 1.83554678 -0.1020636 -1.17769344 -8.68790499 0.80473891 -1.47194771 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.679E-8 1.493E-7 3.3389999999E-7 7.467E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004174 0.00009334 638-65-3 12532 144209757 F Fc Octadecanenitrile CCCCCCCCCCCCCCCCCC#N Tox21_202559 -NCGC00260252-01 196703306 tox21-ror-cho-viability-p1 set1 4 -4.03554423 0.48293105 1.19313509 -2.54951569 -4.11149716 -3.23871226 -0.94578846 0.17704885 -1.76591885 -0.13299028 -4.19604519 -3.62221053 -2.3378206 1.57327594 0.41960418 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.5809999999E-8 1.472E-7 3.291E-7 7.358E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.00004113 0.00009198 117947-85-0 18374068 144209902 FC 1-Ethyl-1-methylpyrrolidinium tetrafluoroborate F[B-](F)(F)F.C[N+]1(CC)CCCC1 Tox21_202704 -NCGC00260230-01 196703313 tox21-ror-cho-viability-p1 set1 4 -2.1159644 -2.40374076 -0.34231343 -3.0604682 -0.15018862 1.91233249 1.58714411 -0.4933226 -1.3231079 0.72812542 2.17550526 -2.07738089 -3.62924573 1.40462895 -0.89713823 1.194E-9 2.6689999999E-9 5.968E-9 1.335E-8 2.9839999999E-8 6.6729999999E-8 1.4919999999E-7 3.3359999999E-7 7.4599999999E-7 0.000001668 0.00000373 0.0000083409999999 0.00001865 0.0000417 0.000093249999999 845835-03-2 57358854 144209880 A A 1-Butyl-3-methylpyridinium hexafluorophosphate Cc1ccc[n+](CCCC)c1.F[P-](F)(F)(F)(F)F Tox21_202682 -NCGC00260369-01 196703314 tox21-ror-cho-viability-p1 set1 4 -3.56381712 -1.03602101 -5.33216213 -6.99248627 -2.86672994 0.55909063 -1.65092771 -0.32884511 0.68244438 1.843319 0.00403338 -1.19385484 -1.42664905 -6.04554785 -3.70617217 1.198E-9 2.68E-9 5.992E-9 1.34E-8 2.996E-8 6.6989999999E-8 1.4979999999E-7 3.35E-7 7.4899999999E-7 0.000001675 0.000003745 0.000008374 0.000018719999999 0.00004187 0.00009362 34841-35-5 587128 144210021 A A 3'-Chloropropiophenone O=C(CC)c1cc(Cl)ccc1 Tox21_202823 -NCGC00260383-01 196703323 tox21-ror-cho-viability-p1 set1 4 -0.22021385 -7.2188087 1.3833512 -4.63263944 -0.31971448 -1.55307964 -4.3649448 -4.4072072 1.65668662 1.17027467 -0.23622257 -6.33874858 -8.69658805 1.38474255 0.03371169 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.312E-7 7.405E-7 0.000001656 0.000003702 0.000008279 0.00001851 0.0000414 0.00009256 497-03-0 5321950 144210035 F 2-Methyl-2-butenal C[C@H]=C(C)C=O Tox21_202837 -NCGC00260205-01 196724089 tox21-ror-cho-viability-p1 set3 4 77.2719803999 9.885526756 0.114473244 10 4.9549173134 0.5611535602 0.1298521668 -3.22115816 1.85170681 -0.65576416 -3.65460563 -1.18622017 1.30779198 1.00986405 1.38163823 0.32482248 1.68125907 -0.19559081 0.21366908 1.63602338 -0.06325486 7.3757418 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.324E-8 2.96E-8 6.618E-8 1.4799999999E-7 3.309E-7 7.399E-7 0.0000016539999999 0.0000037 0.000008272 0.0000185 0.00004136 0.000092489999999 79917-89-8 60196378 144209855 F F 1-Methyl-3-propylimidazolium chloride Cl.CCCN1C=CN(C)C1 Tox21_202657 -NCGC00094532-06 196723670 tox21-ror-cho-viability-p1 set3 4 -0.6396248 5.2130431 5.71111593 -1.67242462 2.36505757 0.38626068 2.86657926 1.35288861 9.89901324 10.9562176 10.51506444 9.37448455 2.05932879 -2.68882565 5.31325321 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00015876-11 196723677 tox21-ror-cho-viability-p1 set3 4 -0.39160216 2.34817693 1.69372033 0.99880605 -2.15766925 -5.32185235 -20.1585978 4.15942622 -4.72224384 8.90833328 -3.27421621 -1.55283773 -4.28713798 -1.8873269 13.06179329 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66357-35-5 3001055 170465134 A Ranitidine [O-][N+](=O)\C=C(/NC)NCCSCc1ccc(CN(C)C)o1 Tox21_110250_1 -NCGC00260341-01 196724071 tox21-ror-cho-viability-p1 set3 -2.3 27.5561300424 -85.4063177869 2.531297339 -82.8750204479 0.7999999999 0.9030200025 0.8105082545 -3.06865153 2.21682823 -4.88029327 0.03694922 4.84707642 6.27178189 5.88243148 6.58994682 2.6252861 -5.01279728 -20.01307503 -27.68887277 -21.52020418 95.86667356 -62.7841064 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.000092909999999 921-03-9 13530 144209993 F F 1,1,3-Trichloropropanone ClC(Cl)C(=O)CCl Tox21_202795 -NCGC00254803-01 196714447 tox21-ror-cho-viability-p1 set2 4 0.01026251 0.12393353 -0.7019794 -1.02713936 -2.46119355 -2.45653671 0.10040388 1.82343341 -0.12532234 0.38508658 1.56189906 1.44978417 4.46826444 0.48311385 3.75775842 1.039E-9 2.323E-9 5.1939999999E-9 1.161E-8 2.597E-8 5.8069999999E-8 1.2979999999E-7 2.903E-7 6.492E-7 0.0000014519999999 0.000003246 0.000007258 0.00001623 0.00003629 0.00008115 149358-73-6 53316400 144211216 CC Chloramine T hydrate (1:x) [Na+].O.O.Cc1ccc(cc1)S(=O)(=O)[N-]Cl Tox21_300899 -NCGC00254384-01 196714026 tox21-ror-cho-viability-p1 set2 4 1.44388066 1.03385436 1.03128986 -0.45163738 -0.45269817 1.11849827 0.4576136 1.42031414 1.35312682 2.23831633 1.32400081 -0.28043669 1.59025598 1.87263574 3.77870044 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-49-8 7238 144210647 FNS 2-Chlorotoluene Cc1ccccc1Cl Tox21_300329 -NCGC00254660-01 196714435 tox21-ror-cho-viability-p1 set2 4 -1.33601282 1.13867414 -0.84444871 1.05614709 -0.96425581 1.33648135 0.13408795 -1.19886286 -3.06623577 -6.61924487 -5.64269754 -3.34869936 -5.26129359 -6.82398217 0.56459033 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 702-23-8 69705 144211072 A A 4-Methoxybenzeneethanol COc1ccc(CCO)cc1 Tox21_300755 -NCGC00254201-01 196714442 tox21-ror-cho-viability-p1 set2 4 0.79653817 -2.67814223 -2.24861875 0.03588345 -1.15139164 -2.75892245 -0.77041457 0.67501215 -1.29998466 -1.35028545 -0.46232772 4.60274029 4.2105235 7.2173073 0.47845677 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-97-8 7471 144210382 B N,N,4-Trimethylaniline Cc1ccc(cc1)N(C)C Tox21_300062 -NCGC00254738-01 196714448 tox21-ror-cho-viability-p1 set2 4 0.52721906 -0.29003099 -0.59410658 -0.27096886 0.00780372 -0.43403104 2.37403116 0.12618805 2.89074616 -0.31145792 0.39312151 2.92208025 4.17528404 2.25460393 5.24206412 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117337-19-6 93542 144211151 A A Fluthiacet-methyl O=C(OC)CSc3cc(/N=C1\SC(=O)N2CCCCN12)c(F)cc3Cl Tox21_300834 -NCGC00254336-01 196714451 tox21-ror-cho-viability-p1 set2 4 6.8589621897 20.392455468 -8.392455468 12 0.2 0.6474964835 0.0662126499 -3.37270432 -6.30793402 -8.24371289 -3.41005353 -2.31522144 1.03364936 -1.77243387 -2.09261869 1.12039088 -0.9203834 0.77274275 1.46485435 0.89677308 0.38732556 9.68930924 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-82-1 13 144210880 AC Ac 1,2,4-Trichlorobenzene Clc1cc(Cl)c(Cl)cc1 Tox21_300563 -NCGC00255066-01 196714846 tox21-ror-cho-viability-p1 set2 4 0.94237812 1.10016664 0.67484436 0.87474112 2.2367433 1.58417719 -0.76967102 0.48071108 2.27573803 1.48165954 0.57645349 4.61357724 2.91875488 -0.17276296 1.69845335 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-19-4 7790 144211485 A A Dipropyl hexanedioate O=C(CCCCC(=O)OCCC)OCCC Tox21_301168 -NCGC00254558-01 196714849 tox21-ror-cho-viability-p1 set2 4 1.74505077 0.06911184 3.59654413 0.96391906 0.4818157 3.32745556 4.42866683 1.12485325 1.55622009 2.06699917 0.12523279 3.46073521 -0.36561872 5.24655292 3.17834092 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60168-88-9 43226 144210967 A A Fenarimol OC(c1ccccc1Cl)(c2cncnc2)c3ccc(Cl)cc3 Tox21_300650 -NCGC00254586-01 196714851 tox21-ror-cho-viability-p1 set2 4 50.5907947198 11.843820248 -10.765001292 1.078818956 0.6999999999 0.7306668653 0.0261807997 -10.96617532 -11.67443914 -9.23352012 -13.97083441 -10.31555906 -8.74221984 -9.14682475 -11.46787525 -10.45507495 -7.42432592 -4.65403865 -9.1028028 -7.3616895 -0.76765087 -0.81727267 3.508E-9 7.844E-9 1.754E-8 3.9219999999E-8 8.77E-8 1.961E-7 4.3849999999E-7 9.805E-7 0.000002192 0.000004902 0.00001096 0.00002451 0.00005481 0.0001226 0.0002741 420-04-2 9864 144210995 Ac Cyanamide N#CN Tox21_300678 -NCGC00260668-01 196715275 tox21-ror-cho-viability-p1 set2 4 -5.19703059 0.51504434 -5.51322859 -0.0752067 1.02014913 0.94349231 -7.44707228 2.30688735 0.39555982 -3.82216849 -0.67028928 0.69356773 1.8849746 -1.26020892 1.03170364 1.1689999999E-9 2.615E-9 5.8469999999E-9 1.3069999999E-8 2.9239999999E-8 6.537E-8 1.462E-7 3.269E-7 7.309E-7 0.0000016339999999 0.0000036539999999 0.0000081709999999 0.00001827 0.00004086 0.000091359999999 38716-68-6 6537488 144208142 A A 5-(Hydroxymethyl-2-furoyl)glycine O=C(NCC(=O)O)c1ccc(CO)o1 Tox21_200944 -NCGC00164168-02 196715279 tox21-ror-cho-viability-p1 set2 4 0.04886615 1.54840642 3.30879172 0.17662794 5.23885421 0.96039286 4.14332012 -0.0900439 3.36745506 1.84019297 0.14251098 4.69719161 -0.95145831 -3.18483619 -4.50425438 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00260193-01 196711548 tox21-ror-cho-viability-p1 set2 4 0.1097029296 -12.106591112 1.5 -10.606591112 2.7202212143 0.518152047 0.1786858599 0.57549798 1.61207131 1.55994492 0.72337779 1.46485008 0.8655157 -8.72511542 -11.35492937 -12.75758041 -1.1191522 -11.69104496 -1.34595153 -24.67215926 -8.73326671 8.33435972 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.000092909999999 328090-25-1 10636633 144209843 Ac 1-Ethyl-3-methylimidazolium tosylate C[n+]1ccn(CC)c1.[O-]S(=O)(=O)c1ccc(C)cc1 Tox21_202645 -NCGC00255326-01 196711134 tox21-ror-cho-viability-p1 set2 -1.1 9.6885416101 -83.0819792295 3.6594118935 -79.422567336 0.6999999999 0.8350911919 0.0034448205 0.5865025 2.75930114 2.47943688 3.27234793 -0.2419079 3.03197315 -0.10617561 0.15493962 -2.00157022 -2.68809171 -46.85766156 -45.85313969 -19.63761055 -64.99786131 -73.5394142 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17824-83-8 87323 144211559 A 3,4,5,6-Tetrachloro-2-pyridinecarbonitrile Clc1c(Cl)c(C#N)nc(Cl)c1Cl Tox21_301242 -NCGC00259508-01 196708459 tox21-ror-cho-viability-p1 set2 4 1.45622343 0.52096401 0.32522731 0.87864174 0.38033328 0.55750031 0.35334511 0.14989602 -0.09360233 0.0963998 -0.33369583 -0.44682592 -3.1347939 -5.25572384 -5.22216854 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.000003688 0.000008248 0.00001844 0.00004124 0.000092209999999 12108-13-3 60196372 144209157 A F (Methylcyclopentadienyl)tricarbonylmanganese [Mn+].[C-]#[O+].[O+]#[C-].CC1C=[C-]C=C1.[O+]#[C-] Tox21_201959 -NCGC00091210-02 196708049 tox21-ror-cho-viability-p1 set1 4 0.685896219 -10.587077572 -5.398341044 -15.985418616 0.8999999999 0.6679337199 0.054196605 -6.49962687 -4.0580282 -7.72173093 -8.49371242 -8.18201884 -2.83195087 -4.78294194 -5.54665038 -17.70640558 -12.30218018 -10.9247223 -18.32118218 -15.85984575 -14.16681992 -15.62227899 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00256754-01 196708053 tox21-ror-cho-viability-p1 set1 4 0.38031549 -2.85154368 -3.48720654 2.96292477 -0.9046718 -5.76730715 2.30633356 -6.88275695 -0.80514743 -2.51565684 -3.71055489 -4.69077145 -7.6853218 0.01205756 0.68718295 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 35854-86-5 5362792 144213929 A A (6Z)-Non-6-en-1-ol CC\C=C/CCCCCO Tox21_303624 -NCGC00259703-01 196708456 tox21-ror-cho-viability-p1 set2 4 -1.15826295 0.49167518 -2.80388566 -4.5969603 -0.29456332 -0.32909285 -2.16730563 -2.06889938 0.98140938 0.70290455 -1.59484579 -0.73144988 0.57843072 -0.11663832 -1.11596177 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004136 0.00009247 1936-15-8 9566064 144209352 A F C.I. Acid Orange 10 [Na+].[Na+].[O-]S(=O)(=O)c3cc(cc2ccc(O)c(/N=N/c1ccccc1)c23)S([O-])(=O)=O Tox21_202154 -NCGC00259396-01 196708460 tox21-ror-cho-viability-p1 set2 4 -2.42422823 1.12844936 -2.4481407 -0.9688405 -2.40195474 -2.25402141 -3.66115275 -0.01616652 0.32761378 -0.3024422 0.40876514 -1.82250516 -0.79505309 0.30677642 -0.39945559 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004133 0.000092409999999 120-36-5 8427 144209045 A A Dichlorprop Clc1cc(Cl)ccc1OC(C)C(=O)O Tox21_201847 -NCGC00163906-02 196708461 tox21-ror-cho-viability-p1 set2 4 -0.10596221 -0.32491701 1.65182005 -2.61611648 3.86162812 -0.30013408 0.01046612 -0.13425741 -1.42097487 -0.6500425 0.19047438 -0.1865327 1.25158178 1.65306649 4.80170241 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00259094-01 196708469 tox21-ror-cho-viability-p1 set2 4 6.4306415 -1.17561452 1.37775742 -0.68619699 -1.3552587 6.64409098 -0.24833743 0.56559085 -0.04908345 -0.44984035 1.49427208 7.1218029 6.64194465 2.05715862 0.71748223 1.197E-9 2.676E-9 5.983E-9 1.338E-8 2.9909999999E-8 6.689E-8 1.496E-7 3.344E-7 7.478E-7 0.0000016719999999 0.0000037389999999 0.000008361 0.000018699999999 0.00004181 0.00009348 58-15-1 6009 144208742 A A 4-Dimethylaminoantipyrine CN(C)C=2C(=O)N(c1ccccc1)N(C)C=2C Tox21_201544 -NCGC00259468-01 196708866 tox21-ror-cho-viability-p1 set2 4 -7.27337288 0.08253732 -2.73144238 -3.60642664 -0.70184042 -0.26662574 1.34134413 -1.6322987 -1.53604279 -2.58173014 -0.70439528 -1.34541336 -1.52295938 1.92086861 1.0704713 1.1919999999E-9 2.6649999999E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.662E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004164 0.000093099999999 2216-51-5 16666 144209117 A A (1R,2S,5R)-(-)-Menthol CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O Tox21_201919 -NCGC00259194-01 196706820 tox21-ror-cho-viability-p1 set1 4 0.0267239176 14.069841204 -11.069841204 3 0.2 0.4271120569 0.2483435944 -8.87750912 -0.82298629 -9.22486767 -5.43380956 0.94588838 -1.7350111 -4.85604299 -5.11952575 -3.17738335 0 0.63981468 0.21820145 -1.43999305 0.05389024 1.00645271 1.159E-9 2.592E-9 5.795E-9 1.2959999999E-8 2.898E-8 6.479E-8 1.449E-7 3.24E-7 7.244E-7 0.00000162 0.000003622 0.000008099 0.000018109999999 0.00004049 0.000090549999999 372-09-8 9740 144208843 A A Cyanoacetic acid N#CCC(=O)O Tox21_201645 -NCGC00259128-01 196706392 tox21-ror-cho-viability-p1 set1 4 6.1752757273 8.9822863119 -7.9822863119 1 4.9549173134 0.4442960958 0.2470739694 -11.57927922 -7.47410179 -10.55716999 -12.0054016 0.55712967 -4.86993822 -5.05558165 -7.37055686 -5.5296155 -12.14830277 -12.90190526 3.50574856 -3.18164272 2.53403487 -7.45034703 1.19E-9 2.66E-9 5.949E-9 1.3299999999E-8 2.975E-8 6.6509999999E-8 1.487E-7 3.326E-7 7.436E-7 0.000001663 0.000003718 0.000008314 0.00001859 0.00004157 0.00009295 92-06-8 7076 144208777 A A 1,1':3',1''-Terphenyl c1cc(ccc1)c2cccc(c2)c3ccccc3 Tox21_201579 -NCGC00260000-01 196706410 tox21-ror-cho-viability-p1 set1 4 -0.02302134 -2.43671335 2.51948229 4.87006642 0.09225314 -0.04995614 2.48956053 -0.58964105 -9.10675601 -0.62299869 2.40443066 1.44307028 0.06446305 0.48648183 8.2410944 1.166E-9 2.608E-9 5.831E-9 1.304E-8 2.9149999999E-8 6.5189999999E-8 1.458E-7 3.26E-7 7.288E-7 0.0000016299999999 0.0000036439999999 0.000008149 0.00001822 0.00004074 0.00009111 693-13-0 12734 144209649 AC Bc Diisopropylcarbodiimide CC(C)/N=C=N/C(C)C Tox21_202451 -NCGC00259810-01 196706819 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -38.342808 -2.5 -40.842808 3.1319983358 0.6929984774 0.0412637614 3.80608672 -6.04085882 -0.35812053 -10.7132677 1.31611308 -0.83420405 0.02706614 -0.15382738 0.66054276 -13.94447796 0.81181894 -1.35697113 -7.90865836 -8.22708196 -30.70234 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-56-3 7340 144209459 A A 2-Amino-5-azotoluene Cc2cc(/N=N/c1ccccc1C)ccc2N Tox21_202261 -NCGC00260209-01 196724256 tox21-ror-cho-viability-p1 set3 -2.4 68.5198756601 -37.33788022 2.5 -34.83788022 4.9549173134 0.8121235347 0.0061081312 -4.38489884 0.80901973 -3.25802417 -0.67549836 4.3525773 3.05850391 7.10351895 6.84663103 6.6986502 6.09479162 4.95549305 -1.84020802 1.8513952 1.41707441 -27.78156685 1.179E-9 2.6359999999E-9 5.8929999999E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.294E-7 7.367E-7 0.0000016469999999 0.0000036829999999 0.000008236 0.00001842 0.000041179999999 0.00009208 219947-94-1 60196381 144209859 FNS 1-Methyl-3-tetradecylimidazolium hexafluorophosphate F[P-](F)(F)(F)(F)F.C[n+]1ccn(CCCCCCCCCCCCCC)c1 Tox21_202661 -NCGC00091284-03 196724259 tox21-ror-cho-viability-p1 set3 4 0.273060203 -4.5136689839 3 -1.5136689839 4.9549173134 0.4388583044 0.2543190812 3.28424525 2.33622307 5.92022986 1.20234724 4.02719733 1.68491508 3.44218514 -0.06900808 -5.32899887 -1.48463877 2.42985692 -6.26139082 -0.04037094 2.39649482 4.95308789 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00258222-01 196730557 tox21-ror-cho-viability-p1 set3 -2.2 60.6335692464 -42.6129579675 -2 -44.6129579675 2.4063783767 0.8257469923 0.0044076677 -15.1967296 0 0 0 0 -1.99324742 0 -1.11153766 -1.11619865 -1.04631883 0 -0.06699749 -7.06316407 -13.13105515 -33.79769543 1.172E-9 2.621E-9 5.8609999999E-9 1.311E-8 2.9299999999E-8 6.553E-8 1.465E-7 3.276E-7 7.326E-7 0.0000016379999999 0.0000036629999999 0.000008191 0.00001832 0.00004095 0.00009158 101-90-6 7586 144207866 Ac Bc Diglycidyl resorcinol ether c1ccc(cc1OCC2CO2)OCC3CO3 Tox21_200668 -NCGC00258044-01 196730159 tox21-ror-cho-viability-p1 set3 4 -0.88606892 -0.55295264 0.60855225 0.07065611 -2.17233296 -2.28307027 2.0443861 -2.46647888 -3.30339314 4.77362892 1.51477933 0.74934753 -1.35760994 1.26009212 0.40149185 1.156E-9 2.5839999999E-9 5.779E-9 1.292E-8 2.889E-8 6.461E-8 1.4449999999E-7 3.23E-7 7.224E-7 0.000001615 0.000003612 0.000008076 0.000018059999999 0.00004038 0.00009029 96-48-0 7302 144207688 A B 4-Butyrolactone O=C1CCCO1 Tox21_200490 -NCGC00257995-01 196730551 tox21-ror-cho-viability-p1 set3 4 -3.88568302 -2.74359677 -2.51725961 -3.2836526 -1.74863685 -4.84981052 -3.59379982 -1.83359283 -5.77101137 -3.79111744 -0.02129582 -0.85315622 -1.22223906 0.36858851 3.64095478 1.165E-9 2.606E-9 5.8259999999E-9 1.303E-8 2.9129999999E-8 6.514E-8 1.457E-7 3.2569999999E-7 7.2829999999E-7 0.000001629 0.000003641 0.000008143 0.00001821 0.00004071 0.00009104 126-11-4 31337 144207639 A A 2-(Hydroxymethyl)-2-nitro-1,3-propanediol O=[N+]([O-])C(CO)(CO)CO Tox21_200441 -NCGC00258027-01 196730555 tox21-ror-cho-viability-p1 set3 4 0.33404043 -0.58874986 0.8871473 1.22666154 0.26629914 2.97264117 2.1153399 -0.25265382 4.1607756 -0.97784779 0.05275417 0.56200943 -1.85450536 -0.74899194 -2.3838501 1.18E-9 2.6389999999E-9 5.9009999999E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.299E-7 7.376E-7 0.000001649 0.000003688 0.0000082469999999 0.00001844 0.000041229999999 0.0000922 931-19-1 13602 144207671 A A 2-Methylpyridine 1-oxide [O-][n+]1ccccc1C Tox21_200473 -NCGC00258384-01 196730562 tox21-ror-cho-viability-p1 set3 4 -0.27229871 -0.7643299 1.07290974 0.20864515 0.84650423 1.33781634 -5.41305653 -1.62214223 -0.95340957 0.74335255 -1.02701867 0.21304945 1.05697876 -5.25558672 0.42303277 1.195E-9 2.6729999999E-9 5.9769999999E-9 1.337E-8 2.989E-8 6.683E-8 1.494E-7 3.341E-7 7.4709999999E-7 0.000001671 0.000003736 0.000008353 0.000018679999999 0.00004177 0.00009339 53-96-3 5897 144208028 A A 2-Acetylaminofluorene CC(=O)Nc1ccc2c3ccccc3Cc2c1 Tox21_200830 -NCGC00258696-01 196730571 tox21-ror-cho-viability-p1 set3 4 -1.3943504 3.10758462 -0.50601926 -1.08060513 -5.16160635 -2.62023372 -1.81973674 -2.13216394 0.76264819 -3.53702869 -3.89948098 -1.46668745 -3.04943035 1.17473667 0.25727738 1.1469999999E-9 2.5649999999E-9 5.7359999999E-9 1.2829999999E-8 2.868E-8 6.413E-8 1.434E-7 3.206E-7 7.169E-7 0.000001603 0.000003585 0.0000080159999999 0.00001792 0.000040079999999 0.00008962 3048-64-4 18273 144208342 FNS 5-Vinyl-2-norbornene C=CC2CC1C=CC2C1 Tox21_201144 -NCGC00091219-08 196704973 tox21-ror-cho-viability-p1 set1 4 -0.18901375 2.6278035 0.24511125 1.60333374 2.02977007 3.15368622 0.98364167 1.95926757 3.29733032 0.20509261 -0.12841489 3.12163599 -0.11641239 3.73185813 4.94115626 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 134-62-3 4284 170466080 A DEET Cc1cccc(c1)C(=O)N(CC)CC Tox21_111103_1 -NCGC00178851-03 196704568 tox21-ror-cho-viability-p1 set1 4 -0.20689281 0.18271143 -2.23374434 -0.74994671 -1.83654631 -1.78731251 1.27302224 0.12462748 0.77768607 -1.72034118 -1.98370302 -0.52943686 -3.02593098 1.26198993 1.77963291 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64953-12-4 441242 170465353 F Moxalactam disodium [Na+].[Na+].O=C3N1C(=C(CO[C@@H]1[C@]3(OC)NC(=O)C(c2ccc(O)cc2)C([O-])=O)CSc4nnnn4C)C([O-])=O Tox21_110793_1 -NCGC00229704-01 196704965 tox21-ror-cho-viability-p1 set1 4 0.0008412674 8.4859111879 -7.9859111879 0.5 4.9549173134 0.4477131405 0.2303855307 -6.65492599 -0.3737538 1.75037677 -4.12498698 -0.0034182 2.17774896 -3.46309892 0.56764189 3.56269922 3.2813601 -0.16683347 1.59808289 0.32336366 0.75323621 0.92305696 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112887-68-0 104758 144207198 A A Raltitrexed O=C(N[C@@H](CCC(=O)O)C(=O)O)c1ccc(s1)N(C)Cc2ccc3N=C(C)NC(=O)c3c2 Tox21_112237_1 -NCGC00185768-01 196704971 tox21-ror-cho-viability-p1 set1 4 29.8492948118 -14.731831516 1 -13.731831516 3.6772481694 0.5649529766 0.1242684957 -0.13310399 1.11440727 -2.35037715 0.23637464 -1.85667633 -0.2127466 0.0071346 7.54365742 0.08784402 7.04216947 -0.72090346 1.26531463 -1.29597057 -1.97732578 -11.44319293 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 91599-74-5 656667 144207147 A A rac Benidipine hydrochloride Cl.[O-][N+](=O)c1cccc(c1)[C@@H]2C(C(=O)OC)=C(C)NC(C)=C2C(=O)O[C@@H]4CCCN(Cc3ccccc3)C4 Tox21_113598 -NCGC00164533-02 196704974 tox21-ror-cho-viability-p1 set1 4 0.36638039 0.47430077 1.08591972 -0.8348209 -0.24483497 -0.15203264 0.24553044 2.43742211 0.19122894 -0.49576501 3.06092316 -1.3284816 0.50263847 1.76024096 0.93492554 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 692-13-7 2468 170465982 D Buformin NC(=N)NC(=N)NCCCC Tox21_112164_1 -NCGC00254010-01 196699175 tox21-ror-cho-viability-p1 set1 4 24.3365162115 -18.0360666399 0.5 -17.5360666399 1.221561 0.9123469609 0.0001673393 -0.32497788 0.05336216 -0.1686161 0.80234301 0.73735056 0.87189924 -0.33677368 1.41162593 1.48084912 0.03324445 -3.03923298 -0.38200723 -10.21055388 -9.23886272 -15.4467222 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131-18-0 8561 144210624 A A Dipentyl phthalate O=C(OCCCCC)c1ccccc1C(=O)OCCCCC Tox21_300304 -NCGC00253991-01 196698762 tox21-ror-cho-viability-p1 set1 -2.4 27.3060203028 -30.4645080159 -1 -31.4645080159 1.752947691 0.8302293284 0.0039309752 -5.94772707 3.99144867 -5.53011667 -4.08733261 3.19728616 1.04883423 -0.18060695 3.92156003 -4.71874215 -7.60997223 0.22885982 -2.37427017 -14.04017505 -18.9545053 -29.55375668 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47328 53316396 144210544 A A MK-274 [K+].O.FC(F)(F)C(F)(F)COc3ccc(F)cc3c1cccc(c1)c2nc([n-]n2)C(N)=O Tox21_300224 -NCGC00254318-01 196698763 tox21-ror-cho-viability-p1 set1 4 -4.85385331 3.44506154 0.05631437 -3.29963669 0.56532499 0.03488962 -1.17738975 1.99493789 1.72622529 -1.3989726 -1.33228627 1.09218663 -12.63783097 0.96390647 -6.10920888 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68515-49-1 33599 144210848 A F 1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C Tox21_300530 -NCGC00254032-01 196699174 tox21-ror-cho-viability-p1 set1 4 19.3311819617 -9.4624781039 -1.5 -10.9624781039 1.826479391 0.5595847208 0.1287484324 -5.9448475 0.86124018 -7.06606674 -0.18091335 0.88651778 1.39219943 -1.22494953 -1.0687437 -5.54005017 -1.28488962 0.06298859 -1.2854786 -7.94308325 -8.99970175 -10.38539842 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 189003-92-7 9869105 144210557 A A Trelanserin NC(=O)CN2c1cc(F)ccc1C(=CC2=O)CCN3CCN(CC3)c5nccc4sccc45 Tox21_300237 -NCGC00254046-01 196699182 tox21-ror-cho-viability-p1 set1 4 0.93914322 3.7153136 1.26031324 0.16488615 0.91724513 2.09968543 1.81485417 -0.0871866 -0.34308328 0.69729982 -1.02208028 -0.51230981 -1.04420999 0.95963156 0.92007124 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 118-71-8 8369 144210438 A A Maltol CC=1OC=CC(=O)C=1O Tox21_300118 -NCGC00254087-01 196699583 tox21-ror-cho-viability-p1 set1 4 0.0015355304 9.923687868 -8.923687868 1 4.9549173134 0.6439138002 0.0698661966 -7.01973989 0.95035042 -1.40393675 -0.37230372 0.38905679 0.77805224 1.43981672 0.57700545 1.25071296 2.33208779 0.51815431 2.48605987 -0.92501009 -0.3638568 4.72655989 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 288-88-0 9257 144210433 AC Ac 1H-1,2,4-Triazole c1ncnn1 Tox21_300113 -NCGC00254959-01 196699585 tox21-ror-cho-viability-p1 set1 4 -0.60989869 2.13230538 -1.48549481 3.22322346 2.82669771 0.94530757 1.19303083 0.5973714 3.27748772 1.5433379 0.8159472 -0.63135559 0.47580987 -1.4931448 1.26538937 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 1008-72-6 3794540 144211374 A A Sodium 2-formylbenzenesulfonate [Na+].O=S([O-])(=O)c1ccccc1C=O Tox21_301057 -NCGC00166300-02 196717358 tox21-ror-cho-viability-p1 set2 4 -2.50168191 -0.22614692 0.51173582 3.12691854 5.7950745 3.62999182 5.46563254 3.41229585 0.10040854 0.0581288 3.62642618 0.31445392 0.92411832 3.18001903 3.46479977 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 41468-25-1 38882 170466028 D Pyridoxal phosphate hydrate O.Oc1c(C=O)c(cnc1C)COP(=O)(O)O Tox21_112399_1 -NCGC00262951-01 196716937 tox21-ror-cho-viability-p1 set2 4 1.19052995 0.33181628 -15.00684796 5.17186733 3.33140411 -5.22962284 -3.77726513 -4.27449765 5.42599497 4.22195955 2.88724068 0.43829471 1.29325057 1.50421271 1.56155556 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1609-66-1 259381 170466676 A A Norfentanyl O=C(CC)N(C1CCNCC1)c2ccccc2 Tox21_113943 -NCGC00024846-08 196716940 tox21-ror-cho-viability-p1 set2 4 0.78822119 -0.87246373 1.31083666 -2.50340943 -0.20902165 -3.61976631 -2.04383613 0.29162383 -0.50556243 -7.93388992 -0.45007746 -2.35617385 -1.88367424 -1.81231563 -1.56886544 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5051-62-7 3517 170465364 A Guanabenz Clc1cccc(Cl)c1/C=N/NC(=N)N Tox21_110932_1 -NCGC00016311-19 196717356 tox21-ror-cho-viability-p1 set2 4 -6.47726588 -3.36234365 -3.5586314 -3.10681533 -2.27959319 -2.12858669 0.38457407 -0.3852092 -0.94995217 1.59453667 -1.73046039 0.55645494 1.16222512 2.40760826 2.06348371 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-60-2 5775 170464866 A Phentolamine mesilate Cc1ccc(cc1)N(CC2=NCCN2)c3cc(O)ccc3 Tox21_110364_1 -NCGC00262940-01 196713206 tox21-ror-cho-viability-p1 set2 4 2.65791189 2.65686827 1.59588404 -2.097014 4.77773785 5.09751155 -2.03313857 -0.98150875 -0.08103852 2.41414659 0.97842114 0.93281792 -2.10954956 0.13946441 2.30559915 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 31127-82-9 35740 170465432 F A Iodoxamic Acid O=C(Nc1c(I)c(c(I)cc1I)C(=O)O)CCOCCOCCOCCOCCC(=O)Nc2c(I)c(C(=O)O)c(I)cc2I Tox21_113933 -NCGC00183025-01 196712791 tox21-ror-cho-viability-p1 set2 4 -1.11066866 -0.3292444 -1.7406323 3.9557386 -1.15164814 -0.58056842 2.48300186 1.56259312 3.0245724 0.05429621 1.34472223 -0.41325777 3.59807772 2.04291761 -1.97569762 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51022-74-3 3740 144206809 F A Biliscopin O=C(Nc1c(I)c(c(I)cc1I)C(=O)O)COCCOCCOCC(=O)Nc2c(I)c(C(=O)O)c(I)cc2I Tox21_113258 -NCGC00021304-05 196712798 tox21-ror-cho-viability-p1 set2 4 1.53149455 -1.08902256 0.72720105 -0.45596182 0.8845369 12.13911824 2.10274083 1.0876641 -0.6608546 0.54463466 -2.04506241 0.26558063 -2.88472082 -2.57662271 -0.49789213 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64-85-7 6166 170466468 A 21-Hydroxyprogesterone OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_110356_1 -NCGC00183022-01 196712813 tox21-ror-cho-viability-p1 set2 4 -2.64343228 -2.911577 -2.20510733 -4.06094568 0.00305915 -1.14246136 -4.3395271 0.7354987 0.43962129 -0.20093798 -1.64748993 -1.16664509 -1.54861684 -1.67359641 -0.0346086 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 31188-99-5 35751 144206862 A A 4'-Piperidinylcarbonylmethoxyacetophenone O=C(COc1ccc(cc1)C(C)=O)N2CCCCC2 Tox21_113311 -NCGC00160668-03 196713223 tox21-ror-cho-viability-p1 set2 4 5.9557173066 13.4119301759 -6.4119301759 7 0.3 0.8014156575 0.0079529919 -6.13252701 -5.75918449 -4.15079745 -6.17660848 -3.44640768 -4.69076062 -3.8625716 -3.57353338 -0.24736515 -1.20413946 -0.43042363 -0.64347963 -0.58321223 -0.91071681 4.97985503 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127-77-5 31390 170466378 A Sulfabenz Nc1ccc(cc1)S(=O)(=O)Nc2ccccc2 Tox21_111972_1 -NCGC00166076-07 196713626 tox21-ror-cho-viability-p1 set2 4 0.95073319 1.09516699 7.40643917 6.07152084 7.23370233 1.4750197 0.3775546 6.66512489 1.83997845 -1.22988556 -0.29264521 0.20719937 -2.07329613 0.94288648 -0.92183612 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 497-76-7 440936 170465722 A Arbutin Oc1ccc(cc1)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O Tox21_111509_1 -NCGC00091483-03 196714042 tox21-ror-cho-viability-p1 set2 -2.2 54.4826732819 -49.433636331 -1.2731411009 -50.7067774319 2.4729283767 0.982259226 2.38E-8 -1.69532112 -0.432622 -2.51432738 -0.80571327 -1.56585157 -2.66401722 -0.42336577 2.04445841 0.04694252 0.20379337 -2.29273134 -4.09751998 -5.16453038 -16.78814567 -40.6869526 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00254152-01 196714046 tox21-ror-cho-viability-p1 set2 4 1.1995728 1.25095436 5.22442984 0.15540683 3.74310314 3.60167905 1.62881417 0.1742398 5.67548835 1.19861952 2.22661684 5.45654614 3.41354883 3.97801288 0.53033836 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47362 53316380 144210563 F SSR150106 O=C(OCC)[C@@]2(Oc1ccccc1[C@@H]2N)c3ccccc3 Tox21_300243 -NCGC00259553-01 196708485 tox21-ror-cho-viability-p1 set2 4 1.1268384 1.00442575 0.0989985 0.5248165 1.37027954 0.84423381 1.13358516 4.20816185 0.33316314 0.21126562 -0.11221221 1.59151969 2.20073833 0.12265805 0.67510551 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004107 0.00009184 91-20-3 931 144209202 A Ac Naphthalene c1cccc2ccccc12 Tox21_202004 -NCGC00258984-01 196708474 tox21-ror-cho-viability-p1 set2 -2.1 31.7629104368 -73.5651905409 -1.0581143319 -74.6233048728 1.0999999999 0.8925035886 0.000460457 0.52545127 -2.39571053 -2.99648435 1.48549066 -2.20713397 -0.59290587 -0.30993055 0.37353879 -2.16844203 -2.63098615 -9.03999166 -15.23372777 -36.41692143 -25.40373077 -69.09565266 1.216E-9 2.718E-9 6.078E-9 1.359E-8 3.0389999999E-8 6.795E-8 1.519E-7 3.3979999999E-7 7.597E-7 0.000001699 0.000003799 0.0000084939999999 0.000018989999999 0.00004247 0.00009497 534-07-6 10793 144208631 D 1,3-Dichloropropanone ClCC(=O)CCl Tox21_201433 -NCGC00090952-07 196708481 tox21-ror-cho-viability-p1 set2 4 24.7578530296 15.604746232 -3.604746232 12 0.7999999999 0.5263480631 0.1557589684 -1.04445017 -3.00881842 -4.25376734 -5.74505021 0.2190653 0.36846927 -13.42062186 -5.79282596 -0.380462 1.46439717 0.16426939 0.12283783 0 7.95454307 7.93299257 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00258878-01 196708897 tox21-ror-cho-viability-p1 set2 4 2.64842969 0.47703504 0 0.1035767 5.40747546 3.12685202 -2.58358554 2.36351573 4.45761539 4.08532613 3.69800404 6.02577456 5.00387971 2.17622378 1.31421445 1.19E-9 2.661E-9 5.951E-9 1.331E-8 2.976E-8 6.654E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.000003719 0.000008317 0.0000186 0.00004158 0.000092989999999 7775-27-1 62655 144208524 Sodium persulfate [Na+].[Na+].O=S(=O)([O-])OOS([O-])(=O)=O Tox21_201326 -NCGC00258957-01 196708898 tox21-ror-cho-viability-p1 set2 4 68.729149849 -13.0230094319 1 -12.0230094319 4.9549173134 0.7938310858 0.0092748903 2.86767802 1.19702033 1.10681964 2.53983755 -0.63950634 -1.12099247 -0.00548914 1.25966994 1.9111171 2.57605812 -0.36601165 3.3033693 -0.77117586 0 -9.60250786 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.303E-7 7.387E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 149-57-5 8697 144208604 A A 2-Ethylhexanoic acid CCCCC(CC)C(=O)O Tox21_201406 -NCGC00259998-01 196708903 tox21-ror-cho-viability-p1 set2 4 60.0752598112 -20.572002284 -1 -21.572002284 2.8472712143 0.9267325157 0.0000665235 -0.59576193 0.57647973 -1.03037624 -1.16978553 -0.46764552 0.11456866 0.11154332 -1.94879694 -1.44034949 -4.48961134 -1.20341336 -0.39423928 -1.36780275 -6.02541778 -16.72666857 1.163E-9 2.5999999999E-9 5.8149999999E-9 1.2999999999E-8 2.9069999999E-8 6.501E-8 1.454E-7 3.2509999999E-7 7.269E-7 0.000001625 0.000003634 0.000008127 0.00001817 0.00004063 0.00009086 108-77-0 7954 144209647 2,4,6-Trichloro-s-triazine Clc1nc(Cl)nc(Cl)n1 Tox21_202449 -NCGC00259032-01 196709304 tox21-ror-cho-viability-p1 set2 4 -2.43188003 -4.16284538 -3.61779226 1.61867434 -3.45275691 -3.17427222 -3.74209224 0.86807532 -4.02390094 -1.41711287 -3.2433665 -1.85305235 -0.26283089 -2.7059749 -0.39025468 1.229E-9 2.749E-9 6.146E-9 1.374E-8 3.073E-8 6.872E-8 1.537E-7 3.436E-7 7.6829999999E-7 0.000001718 0.000003841 0.000008589 0.00001921 0.00004295 0.00009603 108-93-0 7966 144208679 A Cyclohexanol OC1CCCCC1 Tox21_201481 -NCGC00259273-01 196709313 tox21-ror-cho-viability-p1 set2 4 4.2969234286 -8.796234192 1.5 -7.296234192 0.9999999999 0.4186449034 0.2721034853 -0.97942152 0.5601477 6.93617221 2.08870855 1.24095509 -0.92840112 0.37490793 1.17191716 -1.02776955 -0.89027017 -2.10055796 -0.08089245 -13.58019516 -2.18230928 1.87536048 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.558E-8 1.466E-7 3.279E-7 7.3319999999E-7 0.0000016389999999 0.0000036659999999 0.000008197 0.00001833 0.00004099 0.00009165 192-97-2 9128 144208922 A A Benzo(e)pyrene c3ccc2ccc1cccc4c1c2c3c5ccccc45 Tox21_201724 -NCGC00259708-01 196709319 tox21-ror-cho-viability-p1 set2 4 0.2827893 0.12130501 0.14033102 -0.20899314 3.15730364 -4.95663265 -6.9717204 -6.23741709 -2.26922788 1.11417891 -7.49003112 2.63781201 2.49751606 1.90280444 -5.3802182 1.1999999999E-9 2.684E-9 6.002E-9 1.3419999999E-8 3.0009999999E-8 6.71E-8 1.5E-7 3.355E-7 7.5019999999E-7 0.000001677 0.0000037509999999 0.000008387 0.00001875 0.000041939999999 0.000093769999999 610-39-9 11883 144209357 A A 3,4-Dinitrotoluene O=[N+]([O-])c1cc(C)ccc1[N+]([O-])=O Tox21_202159 -NCGC00259893-01 196709324 tox21-ror-cho-viability-p1 set2 4 1.04658131 1.06980037 3.72963339 5.70756357 1.89020064 4.40938108 4.3232485 3.03363795 0.86933148 1.38396855 -0.72731677 4.4462847 8.55877428 5.67764188 2.5529329 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.312E-7 7.405E-7 0.000001656 0.000003702 0.000008279 0.00001851 0.0000414 0.00009256 1067-53-4 14025 144209542 FC Tris(2-methoxyethoxy)vinylsilane COCCO[Si](OCCOC)(C=C)OCCOC Tox21_202344 -NCGC00259315-01 196709327 tox21-ror-cho-viability-p1 set2 4 78.2912055491 -9.530877648 1.5 -8.030877648 4.9549173134 0.5620424964 0.1297323177 2.88855445 -0.72526108 5.27065203 1.78021045 -0.06529373 -0.07761744 0.35592908 -0.55399862 1.73997318 1.17030658 2.20292743 2.54560493 1.32762278 2.09996638 -5.44239804 1.197E-9 2.677E-9 5.986E-9 1.339E-8 2.993E-8 6.693E-8 1.497E-7 3.346E-7 7.4829999999E-7 0.000001673 0.000003741 0.000008366 0.00001871 0.00004183 0.00009353 103-69-5 7670 144208964 FNS N-Ethylaniline CCNc1ccccc1 Tox21_201766 -NCGC00259110-01 196709329 tox21-ror-cho-viability-p1 set2 4 -1.83385171 -0.43839396 -2.89235119 0.36793015 -4.48555453 -5.22805724 0.94553351 -1.06880933 -3.5450852 1.68652495 -3.56323377 1.39212081 -2.31622465 -4.39687832 2.30490817 1.19E-9 2.6619999999E-9 5.9519999999E-9 1.331E-8 2.976E-8 6.655E-8 1.4879999999E-7 3.3269999999E-7 7.44E-7 0.0000016639999999 0.00000372 0.000008319 0.0000186 0.00004159 0.000093 109-52-4 7991 144208759 A A Pentanoic acid CCCCC(=O)O Tox21_201561 -NCGC00256905-01 196707667 tox21-ror-cho-viability-p1 set1 4 4.94543874 -0.33564546 0.51752962 -2.03740308 -0.65145792 0.3169081 0.35048223 -0.19713392 5.59278526 6.87720716 0.41408952 3.01760226 3.1894539 4.6743792 3.53846023 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4128-17-0 638500 144213005 Ac F trans,trans-Farnesyl acetate CC(=O)OC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C Tox21_302688 -NCGC00259257-01 196724355 tox21-ror-cho-viability-p1 set3 -1.1 8.6788467656 -69.6075189299 -1.269129458 -70.8766483879 3.0654483358 0.9772873469 3.496E-7 -8.4702427 -2.30281613 2.92117583 -6.62640331 4.74995348 0.94712091 0.06234 2.41875979 0.53392802 -4.28716264 -7.7324564 -33.48633799 -67.61087956 -67.9413411 -15.39353316 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.626E-8 1.482E-7 3.3129999999E-7 7.408E-7 0.000001656 0.000003704 0.000008282 0.00001852 0.000041409999999 0.000092599999999 156-10-5 9074 144208906 C A 4-Nitrosodiphenylamine O=Nc2ccc(Nc1ccccc1)cc2 Tox21_201708 -NCGC00260612-01 196724755 tox21-ror-cho-viability-p1 set3 4 0.0059557173 14.93136604 -10.93136604 4 0.8999999999 0.7113142793 0.0333744366 -9.5374273 -5.98475984 -10.3594717 1.80833772 -3.87823659 1.78856667 2.42068348 4.62240795 0.96535523 4.81154029 6.95473438 1.07808305 -0.19650901 3.15113981 8.49590338 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49508 144210265 M M NTP Mix15 AR1 8-EQC Tox21_203067 -NCGC00260199-01 196724757 tox21-ror-cho-viability-p1 set3 4 -3.46091454 4.56528469 -0.70044753 0.41744018 5.21536039 4.94580768 2.56514548 4.67026483 3.36107841 10.63665811 3.70960536 5.95428446 -0.35686207 -0.28819261 9.76950511 1.206E-9 2.6959999999E-9 6.028E-9 1.348E-8 3.014E-8 6.739E-8 1.507E-7 3.3689999999E-7 7.534E-7 0.000001685 0.0000037669999999 0.000008424 0.00001884 0.000042119999999 0.00009418 374564-83-7 11344909 144209849 A A 1-(2-Hydroxyethyl)-3-methylimidazolium tetrafluoroborate C[n+]1ccn(CCO)c1.F[B-](F)(F)F Tox21_202651 -NCGC00260225-01 196724835 tox21-ror-cho-viability-p1 set3 4 0.0017211415 8.892282552 -6.392282552 2.5 4.0949729863 0.3447344385 0.3281727845 -4.91023546 1.15974089 2.32225992 -0.42824764 1.31422222 2.15388502 3.23141739 1.30767211 1.5800325 -0.14415173 1.17124922 10.51743345 1.70114836 1.0623001 5.35119586 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 NOCAS_49388 60196390 144209875 A A 1-Butyl-2-methylpyridinium trifluoromethanesulfonate Cc1cccc[n+]1CCCC.FC(F)(F)S([O-])(=O)=O Tox21_202677 -NCGC00257758-01 196701671 tox21-ror-cho-viability-p1 set1 4 2.17308282 -0.95610599 1.90969957 0.14589477 3.94041618 4.59132354 7.15597366 7.21129333 -0.22055107 7.13216066 -0.39004963 0.42318404 4.68813347 3.9353396 1.39331842 1.1679999999E-9 2.6109999999E-9 5.838E-9 1.305E-8 2.919E-8 6.5269999999E-8 1.4599999999E-7 3.264E-7 7.298E-7 0.0000016319999999 0.0000036489999999 0.000008159 0.000018239999999 0.000040799999999 0.00009122 611-06-3 11899 144207402 A Ac 2,4-Dichloronitrobenzene O=[N+]([O-])c1ccc(Cl)cc1Cl Tox21_200204 -NCGC00255375-01 196700840 tox21-ror-cho-viability-p1 set1 -2.1 21.6899429044 -88.4372076533 0.3159306439 -88.1212770094 4.0949729863 0.9939013961 3E-10 0.60787404 0.46014674 1.05999376 -2.94503556 0.28469349 0.34886984 0.24740417 5.15536285 1.50479665 0.14698838 0.27921076 -3.46481358 -30.46794734 -81.68533071 2.48218946 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 42978-66-5 4128060 144211599 A I Tripropylene glycol diacrylate O=C(OC(C)COC(C)COC(C)COC(=O)C=C)C=C Tox21_301282 -NCGC00256297-01 196701253 tox21-ror-cho-viability-p1 set1 4 30.6378586933 12.8820810839 -3.8820810839 9 0.9999999999 0.6360545153 0.0732694623 -3.83727017 -4.10233452 -5.00582156 -0.61108207 -2.83600988 -8.09764765 -8.23506757 -0.4719622 -3.43912865 -2.07341262 -1.30158495 -0.887737 0.14930361 0.3273903 9.12500141 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56275-01-5 91783 144212121 Fns Trimethylsilyl silicate C[Si](C)(C)O[Si](O)(O)O Tox21_301804 -NCGC00255582-01 196701258 tox21-ror-cho-viability-p1 set1 4 0.70027926 -1.40014181 0.69201102 0.14888507 3.34282157 2.82536107 -0.71008565 1.21931717 3.18059054 0.0755684 -0.42936301 0.00553389 -1.55351153 2.55495818 -0.58776532 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-45-8 8187 144212610 F Ac Undec-10-enal C=CCCCCCCCCC=O Tox21_302293 -NCGC00257590-01 196702077 tox21-ror-cho-viability-p1 set1 4 1.32698735 -2.11760012 -1.05053152 -10.25116225 -6.9525266 -7.87087309 0.62129333 -2.25076235 -0.30609092 -7.4713967 -17.54272516 -4.52708509 0.05054308 -3.04492851 -4.60986494 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-26-2 8102 144207234 FNS Hexylamine CCCCCCN Tox21_200036 -NCGC00257976-01 196702078 tox21-ror-cho-viability-p1 set1 4 2.4386022597 -7.900232352 0.5 -7.400232352 4.9549173134 0.3963431976 0.2922723841 0.36281588 -0.71239583 -7.96599755 -1.38870332 1.2235495 1.86899368 3.25959758 -0.1072755 9.45349629 0.52721617 -7.16231174 -12.83352696 -8.69703073 0.27251758 0.92388385 1.182E-9 2.6429999999E-9 5.9109999999E-9 1.322E-8 2.955E-8 6.608E-8 1.4779999999E-7 3.304E-7 7.388E-7 0.0000016519999999 0.0000036939999999 0.0000082599999999 0.000018469999999 0.000041299999999 0.00009235 594-42-3 11666 144207620 Perchloromethylmercaptan ClC(Cl)(Cl)SCl Tox21_200422 -NCGC00257677-01 196702082 tox21-ror-cho-viability-p1 set1 4 -7.57115363 1.57508542 0.92355151 -6.16493952 -11.44776842 0.71812531 0.02693538 2.6932957 1.71631282 -0.91574359 0.36085452 2.90861616 -8.01726661 -10.03359367 -0.58688409 1.148E-9 2.567E-9 5.74E-9 1.2829999999E-8 2.87E-8 6.417E-8 1.4349999999E-7 3.209E-7 7.175E-7 0.000001604 0.000003587 0.000008021 0.00001794 0.00004011 0.00008968 594-61-6 11671 144207321 A A 2-Hydroxyisobutyric acid O=C(O)C(C)(C)O Tox21_200123 -NCGC00255019-01 196700028 tox21-ror-cho-viability-p1 set1 4 -3.69123337 -0.64925029 -0.3964954 -1.55312725 -0.98718733 -4.14945045 -0.71768069 -0.87101452 0.64358615 -0.63321104 3.14622127 5.15852987 0.81163175 4.40636098 -15.65230297 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33629-47-9 36565 144211437 A A Butralin [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1NC(C)CC)C(C)(C)C Tox21_301120 -NCGC00254190-01 196699617 tox21-ror-cho-viability-p1 set1 4 43.2771256911 7.97289324 -0.97289324 7 2.3331733767 0.5594105798 0.1308671237 0.30921593 -2.90339463 -4.1440777 -1.50037402 1.35455583 2.88785398 -1.98138419 -1.59480297 0.22065144 -2.81613156 -1.50816627 -1.99617156 0.66672719 2.68348883 5.89561109 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 116-25-6 67000 144210422 A D 1-(Hydroxymethyl)-5,5-dimethylhydantoin CC1(C)C(=O)NC(=O)N1CO Tox21_300102 -NCGC00254830-01 196699631 tox21-ror-cho-viability-p1 set1 4 0.18002917 -2.83831302 0.42268296 2.06968531 -1.32064042 -0.25508273 -1.84021604 -1.54831473 -2.74638338 -1.29474212 1.17251128 2.34700188 0.96671712 -2.57379278 -3.06095522 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-27-8 61008 144211245 A A 1-(4-Methoxyphenyl)-1-pentene-3-one COc1ccc(C=CC(=O)CC)cc1 Tox21_300928 -NCGC00254257-01 196700024 tox21-ror-cho-viability-p1 set1 4 0.2433651621 5.646150572 -4.646150572 1 4.9549173134 0.6643532529 0.056652421 -4.99477715 -1.42344207 -4.01820962 -8.03845881 -3.22310447 -5.40998686 -7.11608051 1.33174398 -2.24627371 0.31224855 4.50341045 0.05205354 1.22444136 2.637429 -0.02568273 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3739-38-6 19539 144210927 A A 3-Phenoxybenzoic acid O=C(O)c2cc(Oc1ccccc1)ccc2 Tox21_300610 -NCGC00254694-01 196700035 tox21-ror-cho-viability-p1 set1 4 -0.69299106 1.87831617 0.15487021 0.8503428 3.23749328 -0.52080821 2.60694078 0.07106947 0.06796178 1.40774983 3.4313235 2.9120323 0.70848887 2.26068797 0.54943382 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 57837-19-1 42586 144211107 A A Metalaxyl CC(N(C(=O)COC)c1c(C)cccc1C)C(=O)OC Tox21_300790 -NCGC00254240-01 196700037 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -98.7286186804 -0.8165581 -99.5451767804 4.9549173134 0.9913299297 4E-10 -0.83153053 1.54675301 -0.43449208 2.17734546 1.18205628 -3.4691005 -3.22909597 1.15488138 0.45675034 -2.34230139 -2.21584956 -1.30534882 -4.03842433 -7.09817042 -80.98823554 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7173-51-5 23558 144210915 A A Didecyldimethylammonium chloride [Cl-].C[N+](C)(CCCCCCCCCC)CCCCCCCCCC Tox21_300598 -NCGC00258577-01 196715306 tox21-ror-cho-viability-p1 set2 4 0.76045552 0.0307888 3.41225618 2.24567731 2.47667262 -0.54721137 0.96410709 3.23949071 0.29232872 -10.30256795 -0.36242203 3.42166537 2.058149 1.61800429 4.06422931 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.9409999999E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.0000411 0.00009189 370865-89-7 11159638 144208222 A A 1-Ethyl-3-methylimidazolium dicyanamide C[n+]1ccn(CC)c1.N#C\N=C=[N-] Tox21_201024 -NCGC00257582-01 196715288 tox21-ror-cho-viability-p1 set2 4 28.4205054137 6.9461085359 -0.9461085359 6 4.9549173134 0.6964995415 0.0409146642 -4.53842378 -0.06553163 -3.22496278 -0.82605338 -0.0281877 0.45280593 0.26107175 0.44317158 -1.87976733 0.04898741 0.02721728 0.44421106 -0.62246151 5.79620513 5.50631507 1.22E-9 2.7279999999E-9 6.099E-9 1.3639999999E-8 3.049E-8 6.819E-8 1.525E-7 3.409E-7 7.6239999999E-7 0.000001705 0.0000038119999999 0.000008523 0.000019059999999 0.000042619999999 0.00009529 77-99-6 6510 144207226 A A 2-Ethyl-2-(hydroxymethyl)-1,3-propanediol CCC(CO)(CO)CO Tox21_200028 -NCGC00257805-01 196715305 tox21-ror-cho-viability-p1 set2 4 -4.33759985 -2.42811763 -3.31320166 0.4478983 1.2760455 -2.33399098 1.12771221 2.06675787 -4.29425762 -0.21955642 -1.29870313 2.36370708 0.48416793 -1.75585658 1.46027803 1.1859999999E-9 2.653E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001854 0.00004145 0.00009268 5464-79-9 21622 144207449 A A 2-Amino-4-methoxybenzothiazole COc1cccc2sc(N)nc12 Tox21_200251 -NCGC00091146-04 196715704 tox21-ror-cho-viability-p1 set2 4 0.0216899429 7.1613402 -8.1613402 -1 1.21 0.7710680865 0.0141752295 -5.89626296 -10.9677835 -6.12552815 -4.91721652 -5.55165606 -0.67608622 -1.1821427 -2.22551518 -0.27012579 -0.84771421 -1.93147805 0.65499196 -1.20147064 -2.23205141 -2.07158515 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00257964-01 196715709 tox21-ror-cho-viability-p1 set2 4 3.30681638 0.54743494 -0.21071296 1.67840496 2.27751788 4.73460756 0.34169681 -0.59366073 4.01484869 0.83520083 -12.0697748 1.2106604 1.71240943 -0.00298715 2.4579568 1.21E-9 2.7049999999E-9 6.048E-9 1.352E-8 3.024E-8 6.7619999999E-8 1.512E-7 3.381E-7 7.561E-7 0.000001691 0.00000378 0.0000084529999999 0.0000189 0.00004226 0.00009451 74-95-3 3024 144207608 FC Dibromomethane BrCBr Tox21_200410 -NCGC00258360-01 196715719 tox21-ror-cho-viability-p1 set2 4 4.18857161 2.42510143 2.50885572 0.53510649 -0.04205849 1.06096969 0.04018269 2.40066061 2.77624291 1.53402385 0.58885104 5.95477838 3.03543853 1.03324321 5.24814405 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.613E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.00001848 0.00004133 0.00009242 75-27-4 6359 144208004 AC Fc Bromodichloromethane BrC(Cl)Cl Tox21_200806 -NCGC00257721-01 196716128 tox21-ror-cho-viability-p1 set2 4 1.73678865 3.65322695 0.66163104 2.50548136 3.55055546 1.81443446 0.78392898 -0.17769409 1.77457267 0.71960976 0.85696694 1.73476336 0.722645 2.48535946 0.45857799 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.4729999999E-7 3.295E-7 7.367E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.000041179999999 0.00009209 99-50-3 72 144207365 A A 3,4-Dihydroxybenzoic acid Oc1ccc(cc1O)C(=O)O Tox21_200167 -NCGC00183863-01 196712833 tox21-ror-cho-viability-p1 set2 4 -4.66569954 -1.68805182 -2.33582671 -5.77473491 -4.10390862 -4.58348343 -0.3241888 -1.57040658 -2.68678824 0.28413865 1.473854 1.91063646 3.04555671 1.92915626 2.22492919 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25803-14-9 33176 144206860 A A Clometacine Clc1ccc(cc1)C(=O)c3c2ccc(cc2n(CC(=O)O)c3C)OC Tox21_113309 -NCGC00260431-01 196712399 tox21-ror-cho-viability-p1 set2 4 3.77418593 4.35996733 3.39511667 7.7999304 5.67400842 3.70153599 10.26746194 8.02454968 9.4572995 7.99572929 3.94880633 4.94083455 5.33226115 4.98348114 0.75979347 1.206E-9 2.697E-9 6.0299999999E-9 1.348E-8 3.0149999999E-8 6.7419999999E-8 1.5079999999E-7 3.371E-7 7.538E-7 0.000001685 0.000003769 0.0000084269999999 0.00001884 0.00004214 0.000094219999999 1504-74-1 641298 144210083 A A 2-Methoxycinnamaldehyde COc1ccccc1/C=C/C=O Tox21_202885 -NCGC00356971-01 196712408 tox21-ror-cho-viability-p1 set2 4 0.0043277126 10 -2 8 0.5999999999 0.5892744026 0.1066965401 0.36480873 4.00809321 1.34294964 5.20112371 6.24807574 6.61248873 5.85909279 8.38850356 8.68828337 7.0472079 6.97517377 5.01060872 4.80629267 12.19334544 9.79387005 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58654-67-4 42802 251919760 Ac 5-Methyl-2-octanone CC(=O)CCC(C)CCC Tox21_303922 -NCGC00090987-03 196712817 tox21-ror-cho-viability-p1 set2 4 0.0076958822 -18.423610052 17 -1.423610052 0.3 0.492939207 0.2022086956 13.42237481 10.30628283 -2.43634171 8.92045931 9.35095036 8.4344459 3.33106144 1.0693831 2.95896417 1.20880638 2.22962375 1.25715248 -2.22371023 0.52998975 9.11072512 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00183049-01 196712836 tox21-ror-cho-viability-p1 set2 -2.2 29.8492948118 -65.4908245222 -2.317581393 -67.8084059152 2.4729283767 0.9587680493 0.0000029036 -1.99860712 0.46846219 -1.49724845 -2.4459258 1.42702157 -4.20051274 -1.88121261 -0.57227134 -1.4163281 -1.55392824 -4.29874042 -10.56641945 -7.998378 -19.21958867 -51.74879236 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 139233-53-7 60196351 144206852 Z Z Zelandopam Cl.Oc1ccc(cc1O)[C@H]3CNCc2c3ccc(O)c2O Tox21_113301 -NCGC00179290-03 196713231 tox21-ror-cho-viability-p1 set2 4 1.51653963 -1.71160633 0.47564258 1.14196724 1.44084467 1.81920098 -0.96357324 0.27791838 -0.14751791 1.45668488 1.9397106 2.04690071 1.05244639 0.09827617 2.48433829 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33817-20-8 33478 170466065 C Pivampicillin CC(C)(C)C(=O)OCOC(=O)[C@@H]2N3C(=O)[C@@H](NC(=O)[C@H](N)c1ccccc1)[C@H]3SC2(C)C Tox21_110631_1 -NCGC00357069-01 196711389 tox21-ror-cho-viability-p1 set2 -3 2.7306020303 -81.5440223042 -3.361634929 -84.9056572332 4.9549173134 0.9538746121 0.0002294001 -0.31500043 -1.48103424 -2.67677134 -6.95258652 -6.34225919 -7.43895618 0 -6.40997257 -4.02355412 0 -78.61634929 -14.11552699 -14.88003567 -4.01586015 -46.9847875 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-97-7 6572 251919684 A Lactonitrile N#CC(C)O Tox21_303777 -NCGC00256169-01 196710577 tox21-ror-cho-viability-p1 set2 4 1.24890719 -1.11744809 1.63467894 1.46693506 -0.20631437 -0.49530966 -0.27258102 2.93384679 -0.65462241 0.22233037 -1.88605752 3.30386532 3.43665179 -0.09775151 2.84931155 8.7889999999E-10 1.965E-9 4.394E-9 9.826E-9 2.1969999999E-8 4.913E-8 1.099E-7 2.457E-7 5.493E-7 0.000001228 0.0000027469999999 0.000006141 0.000013729999999 0.00003071 0.00006866 26115-70-8 117734 144211601 F Fns 1,3,5-Tris[3-(trimethoxysilyl)propyl]-1,3,5-triazinane-2,4,6-trione CO[Si](OC)(OC)CCCN1C(=O)N(CCC[Si](OC)(OC)OC)C(=O)N(CCC[Si](OC)(OC)OC)C1=O Tox21_301284 -NCGC00164127-03 196710972 tox21-ror-cho-viability-p1 set2 -2.1 61.130564862 -106.5931217056 3.0985208444 -103.4946008612 2.9022712143 0.9864673971 4.9E-9 6.34103115 5.46988485 3.23665116 8.8670067 5.4852775 2.85227141 3.58544884 1.15257457 1.24982915 1.87690049 1.33081205 0.75385696 -3.88746533 -20.56570871 -79.16257641 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00256097-01 196710993 tox21-ror-cho-viability-p1 set2 4 -3.00109688 -1.23797008 -5.31513594 -4.45675148 -2.8272797 -0.46178346 -6.98855638 -11.27569834 -0.85478984 -0.843397 -1.38653508 -0.04881537 -2.47691092 -2.87510871 -3.56658476 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 1124-11-4 14296 144212630 A A Tetramethylpyrazine Cc1nc(C)c(C)nc1C Tox21_302313 -NCGC00357008-01 196711395 tox21-ror-cho-viability-p1 set2 4 -4.13022917 -2.73313711 -5.96039337 -5.22912608 -21.17287486 -14.91660965 -10.37616647 -13.55162867 -15.7580046 -10.40973698 -4.0372252 -1.60421191 -14.9748883 -26.74744396 -13.50359043 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15165-67-0 119435 251919725 A Dichlorprop-P Clc1cc(Cl)ccc1O[C@H](C)C(=O)O Tox21_303875 -NCGC00091261-03 196711399 tox21-ror-cho-viability-p1 set2 2.4 54.4826732819 26 4 30 0.4 0.7548669867 0.0181586805 3.27502525 1.32999111 4.66026794 6.0770719 7.9472585 7.81943617 5.3823593 9.21460776 11.12944632 9.58828369 7.11282467 8.66513417 10.71379019 17.40315848 23.07315933 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00259877-01 196708513 tox21-ror-cho-viability-p1 set2 4 0.63504407 -0.07754216 -0.8210197 1.13732652 1.58543457 3.83213393 2.0588594 3.97662494 0.7238572 0.45053845 3.37496467 2.91762425 3.43562748 2.95811639 1.01725979 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.315E-8 2.9389999999E-8 6.573E-8 1.4699999999E-7 3.2859999999E-7 7.3489999999E-7 0.000001643 0.000003674 0.0000082159999999 0.00001837 0.00004108 0.000091859999999 11013-97-1 5284419 144209526 C C Methyl hesperidin COc1ccc(cc1OC)[C@@H]2CC(=O)c3c(O)cc(cc3O2)O[C@@H]5O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]5O Tox21_202328 -NCGC00259569-01 196708500 tox21-ror-cho-viability-p1 set2 4 12.2591969005 -21.553088388 2 -19.553088388 1.826479391 0.5642330789 0.1237302623 6.30443907 1.05028951 0.44245333 2.60573061 -1.20810168 -0.28151302 1.44529237 3.7941518 -1.93874236 0.79146244 2.69818979 4.13524714 -29.21090699 -4.12399787 -23.40860286 1.185E-9 2.6499999999E-9 5.9249999999E-9 1.325E-8 2.9629999999E-8 6.625E-8 1.481E-7 3.312E-7 7.406E-7 0.000001656 0.0000037029999999 0.000008281 0.00001852 0.0000414 0.00009258 106-51-4 4650 144209218 B Ac 1,4-Benzoquinone O=C1C=CC(=O)C=C1 Tox21_202020 -NCGC00259016-01 196708508 tox21-ror-cho-viability-p1 set2 4 -1.09513306 -1.76463625 -0.33111256 0.23461739 2.85936813 -0.29600398 4.08148471 -1.34631607 1.43221153 -0.03291321 1.65704298 5.60221062 5.54035621 5.16593541 3.84968108 1.173E-9 2.622E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.3299999999E-7 0.0000016389999999 0.000003665 0.000008195 0.00001832 0.000040969999999 0.00009162 121-19-7 5104 144208663 A A 4-Hydroxy-3-nitrophenylarsonic acid O=[N+]([O-])c1cc(ccc1O)[As](O)(O)=O Tox21_201465 -NCGC00258796-01 196708509 tox21-ror-cho-viability-p1 set2 4 1.07053067 -2.6864706 0.67820511 -1.38128636 -0.83774583 -1.23648837 1.35037625 3.98823016 0.25679544 6.41643892 0.56546461 -0.24035686 4.35518925 1.06272692 5.46551373 1.189E-9 2.6589999999E-9 5.945E-9 1.3289999999E-8 2.9719999999E-8 6.646E-8 1.486E-7 3.323E-7 7.4309999999E-7 0.000001662 0.0000037149999999 0.0000083079999999 0.000018579999999 0.00004154 0.000092879999999 5902-51-2 22188 144208442 A A Terbacil O=C1NC(C)=C(Cl)C(=O)N1C(C)(C)C Tox21_201244 -NCGC00258794-01 196708921 tox21-ror-cho-viability-p1 set2 4 -0.82465213 0.28780384 2.63693425 2.42226187 1.20314393 3.7141696 3.02664813 6.84835094 2.42024605 3.66576684 1.81654067 2.49986975 5.45838817 4.68696423 0.05041429 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.295E-7 7.367E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.000041179999999 0.00009209 96-17-3 7284 144208440 FNS 2-Methylbutanal CC(CC)C=O Tox21_201242 -NCGC00258790-01 196708923 tox21-ror-cho-viability-p1 set2 4 -0.70750059 -5.62948535 -1.28559884 -0.25502089 -2.43330582 2.67443697 -1.71194557 -1.10007756 -1.50325606 2.15411667 -1.04651666 -2.16820864 1.58816895 1.34577872 -0.72501373 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003668 0.000008201 0.00001834 0.000041009999999 0.00009169 121-92-6 8497 144208436 A A 3-Nitrobenzoic acid O=[N+]([O-])c1cc(ccc1)C(=O)O Tox21_201238 -NCGC00090702-02 196726083 tox21-ror-cho-viability-p1 set3 4 -2.30517694 -9.84157439 5.93213414 -0.97471704 -1.09060741 -0.6284727 -6.28394728 -6.53171633 -9.15574029 -7.35857095 -2.05727824 -0.03279654 -0.95567507 -0.20620602 1.79412645 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00164353-05 196726014 tox21-ror-cho-viability-p1 set3 4 -1.80358067 2.45936203 3.42978829 -5.48727575 -1.77363396 -2.36366333 10.48705779 5.33227037 5.86178541 -1.49911907 0.66203667 15.22546269 1.03699186 11.10515891 6.63600473 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 608-66-2 11850 170465565 Z Mannitol O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)CO Tox21_111644_1 -NCGC00253603-01 196726015 tox21-ror-cho-viability-p1 set3 4 -0.88960947 3.51614581 -0.16920099 1.11947689 0.93082496 -0.06981712 6.46894315 10.1508951 -1.742581 8.75504516 8.52416764 -0.0986564 0.30777783 2.11211032 3.41686189 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3704-09-4 251636 170466095 A Mibolerone C[C@@H]3CC1=CC(=O)CC[C@@H]1[C@H]4CC[C@@]2(C)[C@@H](CC[C@]2(C)O)[C@H]34 Tox21_113738 -NCGC00256626-01 196726495 tox21-ror-cho-viability-p1 set3 4 -2.20559034 2.11942137 2.26003405 -4.86364788 -18.25595259 -21.1134815 -24.87010153 -0.15232179 -1.13007779 -1.21627418 0 -4.63537435 -6.0919422 0.4595256 0.54579667 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1897-52-5 74695 144212836 Ac 2,6-Difluorobenzonitrile N#Cc1c(F)cccc1F Tox21_302519 -NCGC00074024-03 196726096 tox21-ror-cho-viability-p1 set3 1.2 7.4978038628 50.1177064539 -0.8276274199 49.290079034 4.4494702849 0.982915824 1.9E-8 -1.15309671 1.43004251 -1.17530109 -0.16428906 -0.84404761 -0.94628406 -0.01387054 -5.27302285 2.18065126 -1.29649397 -0.32884582 0.19007403 33.66969161 44.61054081 54.51199885 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 106017-08-7 176015 170466527 A Rufloxacin hydrochloride Cl.CN1CCN(CC1)c4c(F)cc2c3N(C=C(C2=O)C(=O)O)CCSc34 Tox21_110990_1 -NCGC00256914-01 196726489 tox21-ror-cho-viability-p1 set3 4 0.0021689943 -16.1574047681 16.5 0.3425952319 2.4063783767 0.9170818601 0.0001273898 13.59297288 6.69336301 1.44910381 -0.99876351 0.6487623 1.81694672 0.77564588 -0.75435944 1.37237884 1.48189145 2.31741373 0.71022052 -1.38117064 -0.32511054 1.02816294 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 513-86-0 179 144212835 A Acetoin CC(=O)C(C)O Tox21_302518 -NCGC00256485-01 196726906 tox21-ror-cho-viability-p1 set3 4 0.2433651621 5.6795275439 -6.6795275439 -1 4.9549173134 0.5101603201 0.1705971156 -1.09298112 -6.26847471 -5.38730384 -8.72277284 -8.5639024 -8.67401773 -9.73293962 -0.71207285 0.05684442 -5.4672769 0.47980033 0.4287023 -5.80627357 0.31826009 1.27940649 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 15879-93-3 7057995 144213314 A A Chloralose OC[C@@H](O)[C@H]1O[C@@H]2O[C@@H](O[C@@H]2[C@H]1O)C(Cl)(Cl)Cl Tox21_302997 -NCGC00257179-01 196726909 tox21-ror-cho-viability-p1 set3 4 0.61736298 0.62981274 1.8033656 0.48877447 -0.34079237 0.51157509 1.29403497 -3.93076108 1.11000144 5.87193578 1.9574956 -5.92192174 0.75150063 1.89617959 0.23037681 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-55-0 8195 144213418 F Fns 1-Dodecanethiol CCCCCCCCCCCCS Tox21_303101 -NCGC00095042-06 196726914 tox21-ror-cho-viability-p1 set3 4 0.0644400238 4.9869889599 -3.9869889599 1 4.9549173134 0.6777979214 0.0498048473 -4.48561724 -5.8224908 -5.08699876 -0.27590661 -4.76085902 -1.30663649 1.7212244 1.10166467 -0.45505448 4.76008377 1.99821721 -0.90175334 -0.23784933 1.22350016 1.40829724 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.891E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003852 0.000008614 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00257306-01 196727336 tox21-ror-cho-viability-p1 set3 4 61.130564862 -19.022586316 -1 -20.022586316 3.5117481694 0.8442533075 0.0027113389 2.61429939 -1.06139358 -2.77967305 -0.30958126 1.38727199 -1.80828488 0.23654714 -3.1952493 -1.26533674 -3.46927086 -3.08246974 -1.53936754 -1.26358815 -4.88283329 -16.26882193 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2467-02-9 75575 144213904 A A 2,2'-Bisphenol F Oc2ccccc2Cc1ccccc1O Tox21_303599 -NCGC00257207-01 196727342 tox21-ror-cho-viability-p1 set3 4 0.8881689 1.22686059 2.82901337 2.4086571 1.75680265 0.89142614 0.16374244 -1.20270126 2.55014319 0.84719563 1.69156014 4.59021481 -2.65798746 4.78143086 5.44662823 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 839-90-7 13286 144213556 A A Tris(2-hydroxyethyl) isocyanurate OCCN1C(=O)N(CCO)C(=O)N(CCO)C1=O Tox21_303239 -NCGC00257409-01 196727766 tox21-ror-cho-viability-p1 set3 4 -3.19878041 -4.28484882 -4.26169693 -4.68098552 -4.78671267 -3.47971627 -3.74850178 1.13528737 -0.23960859 1.41418957 1.90476333 -0.68000696 0.74056313 2.46142967 3.21033437 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 7534-94-3 904857 144213884 A Ac Isobornyl methacrylate C=C(C)C(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C Tox21_303579 -NCGC00163843-03 196702121 tox21-ror-cho-viability-p1 set1 4 -6.2490001 0.33935861 -0.23344711 2.14024363 -1.05957665 -0.34608197 3.58379289 3.74608451 1.33007924 1.801823 1.10616521 1.30173954 0.45997276 3.70108762 -0.50291512 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00260428-01 196703345 tox21-ror-cho-viability-p1 set1 4 47.7687169443 -16.63826364 -2 -18.63826364 0.7999999999 0.488132156 0.1901687368 -0.78611603 0.93878398 -4.92460909 -5.59074005 -4.36440257 -4.49602826 -0.51533461 -1.55710516 -0.76749062 -7.51931408 -5.92953771 -0.8207567 -4.55487725 -15.1152197 -10.54389004 1.164E-9 2.603E-9 5.8199999999E-9 1.301E-8 2.91E-8 6.507E-8 1.4549999999E-7 3.254E-7 7.275E-7 0.0000016269999999 0.0000036379999999 0.000008134 0.00001819 0.00004067 0.00009094 96-37-7 7296 144210080 F Methylcyclopentane CC1CCCC1 Tox21_202882 -NCGC00260556-01 196703348 tox21-ror-cho-viability-p1 set1 4 -2.01181065 -6.90034396 -7.95039383 -2.89864871 -4.71360006 -7.39975472 -9.37162148 -1.99927601 -5.15986771 -11.5095665 -2.34679405 -1.58351651 -11.61528773 -7.84393685 -2.13457978 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49452 144210209 M M NTP Mix64 CT1 62-EQP Tox21_203011 -NCGC00258486-01 196702531 tox21-ror-cho-viability-p1 set1 4 0.0095605973 -14.999430936 3 -11.999430936 0.7999999999 0.5963646441 0.1139747892 1.50563502 -3.01333757 -0.45361164 -4.96981999 -14.10912639 -1.08792047 -12.75684783 -9.44313093 -11.98283115 -17.49952578 -12.63796105 -11.30171765 -9.55078627 -9.71026797 -5.41757382 1.167E-9 2.609E-9 5.835E-9 1.305E-8 2.917E-8 6.523E-8 1.459E-7 3.262E-7 7.2929999999E-7 0.000001631 0.0000036469999999 0.000008154 0.00001823 0.00004077 0.00009117 95-55-6 5801 144208130 A Fns 2-Aminophenol Nc1ccccc1O Tox21_200932 -NCGC00258602-01 196702127 tox21-ror-cho-viability-p1 set1 4 0.12187105 -0.93094331 -10.04249986 4.69640528 -0.79873487 0.44594466 1.11196333 1.22261195 8.92222482 -2.05096812 1.93443736 -0.99957175 1.35898932 0.33813621 3.01592844 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.593E-8 1.474E-7 3.297E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009214 121-59-5 8480 144208247 A A Carbarsone O=C(N)Nc1ccc(cc1)[As](O)(O)=O Tox21_201049 -NCGC00258099-01 196702529 tox21-ror-cho-viability-p1 set1 4 69.008347349 -18.977240052 1 -17.977240052 4.9549173134 0.8482223848 0.0024110176 2.74605456 -1.48365987 2.52319364 -1.42063597 2.12185435 -0.16801922 2.75666267 0.28367702 -0.7714727 2.51402093 3.32946616 -1.03641818 0.4296813 0.56120683 -14.56436671 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003707 0.0000082899999999 0.00001854 0.00004145 0.00009269 17696-62-7 87250 144207743 B B Phenylparaben O=C(Oc1ccccc1)c2ccc(O)cc2 Tox21_200545 -NCGC00257580-01 196702532 tox21-ror-cho-viability-p1 set1 -2.1 43.2771256911 -77.5597059705 4.1345821775 -73.425123793 2.2526478767 0.9265370696 0.0000661929 0.91924498 1.64642701 -1.02325139 12.30532062 0.68577453 7.6178575 0.90669166 0.53139044 17.14644966 0.93241712 0.71048171 -0.07216325 -1.5885349 -36.12499378 -60.16190679 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 10190-99-5 154914 144207224 A A Sodium aristolochate-I [Na+].[O-]C(=O)c3cc4OCOc4c2c3c(cc1c2cccc1OC)[N+]([O-])=O Tox21_200026 -NCGC00356992-01 196702934 tox21-ror-cho-viability-p1 set1 4 -0.12079449 3.62660528 -2.22273985 -0.45268849 4.56849964 -4.66011499 0.1107447 -0.12343724 3.26882863 -0.30382771 -0.34627118 0 0.50709959 -4.50236746 -0.11455515 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 147150-35-4 86453 251919716 C Cloransulam-methyl O=C(OC)c3cccc(Cl)c3NS(=O)(=O)c1nc2cc(F)nc(OCC)n2n1 Tox21_304004 -NCGC00091650-03 196702936 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -10.81142064 0.5 -10.31142064 4.9549173134 0.5729483722 0.1195963082 -2.13652516 -0.9659505 -1.89335459 4.35154367 1.26676238 1.35155543 0.10091003 -0.95617314 0.62513016 0.77788873 3.9052069 1.03453185 0.74748013 1.83223711 -7.7595172 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00260658-01 196702938 tox21-ror-cho-viability-p1 set1 4 18.8336317891 -15.5980253279 2 -13.5980253279 2.7202212143 0.6574976469 0.0599888932 3.23729847 2.17579469 -1.28176271 -2.55760727 0.58607831 1.40167357 1.71783383 3.10119931 2.29999177 1.36012383 11.10327763 1.39960104 3.09624708 -8.74751625 -11.74835444 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49554 144210311 M M NTP Mix24 AR2 2-EQP Tox21_203113 -NCGC00357072-01 196702940 tox21-ror-cho-viability-p1 set1 4 -1.89652889 0.73267438 -4.8156664 -3.90317969 -6.87662237 -2.69970425 -2.8809933 -7.22977008 -5.22399544 0.48576005 0.89672754 -3.20067 -10.14625576 -9.34191833 -2.63400034 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 175178-82-2 2051 251919837 A Tyrphostin Clc1cccc(c1)Nc3ncnc2cc(OC)c(cc23)OC Tox21_303781 -NCGC00357042-01 196702946 tox21-ror-cho-viability-p1 set1 4 3.25740421 -0.6339823 0.29357938 -1.43889467 0.27878336 -0.23875574 2.22108681 -0.3479529 0.4941121 0.81143737 -1.27851605 6.40787836 1.33603198 -0.08725063 2.90368628 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 763-32-6 12988 251919942 A 3-Methylbut-3-en-1-ol C=C(C)CCO Tox21_303733 -NCGC00260618-01 196703355 tox21-ror-cho-viability-p1 set1 4 2.59108459 -0.41117194 -6.1162122 -3.02800864 2.06229683 2.98035924 0.8064824 0.18745029 -5.80839383 -2.8985592 -0.02119341 -0.06167142 0.39990414 1.09545843 -0.63370221 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49514 144210271 M M NTP Mix118 ER1 5-EQP Tox21_203073 -NCGC00163919-02 196714067 tox21-ror-cho-viability-p1 set2 4 -1.53874089 -7.84244125 -4.06509599 -4.18144111 -4.00011533 -0.56317402 -2.55684537 -79.72132185 -7.48450255 -7.10479655 -1.61030606 -0.10945115 -0.05292319 -8.88487831 -5.22820461 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00253613-01 196713659 tox21-ror-cho-viability-p1 set2 4 -4.07554717 -1.304526 -0.74251754 1.21649552 -3.22954039 -0.49299529 1.05279517 -2.35046 0.04423828 0.04604527 -0.07514609 0.02018484 0.78933912 0.44572599 1.399434 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 144-14-9 8944 170465266 A Anileridine O=C(OCC)C2(CCN(CCc1ccc(N)cc1)CC2)c3ccccc3 Tox21_113744 -NCGC00161643-05 196713668 tox21-ror-cho-viability-p1 set2 4 1.88469292 -2.84250924 0.36450828 -0.08755662 -2.4387524 1.37580027 1.96872196 -2.21114245 -0.88723161 1.46981273 -1.2262807 1.0409753 0.86727919 -0.06959968 -2.45969072 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 518-47-8 9885981 170464991 A Fluorescein sodium [Na+].[Na+].[O-]c4cc5Oc1cc([O-])ccc1C3(OC(=O)c2ccccc23)c5cc4 Tox21_111592_1 -NCGC00254041-01 196714075 tox21-ror-cho-viability-p1 set2 -2.4 61.130564862 -32.638800748 0 -32.638800748 2.9022712143 0.9031907674 0.0002751045 0.45315427 0.0622781 -0.71268171 1.2721546 1.7168671 2.17573541 0.20731372 2.46439848 1.05985495 -1.19056018 -6.79450686 -1.31555546 -0.5420364 -8.20804887 -25.11566729 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-46-6 6643 144210408 Ac Ac 4-(2-Methylbutan-2-yl)phenol Oc1ccc(cc1)C(C)(C)CC Tox21_300088 -NCGC00254343-01 196714079 tox21-ror-cho-viability-p1 set2 4 -3.98778696 -2.32690929 -0.98575289 -4.23931158 -0.65665934 -7.97086552 -10.93352207 0.29195341 -12.49237995 -11.46776266 -7.36093593 -3.92846246 -9.12397547 -2.6846191 -2.849512 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-35-1 5426 144210897 A A Thalidomide O=C1NC(=O)CCC1N3C(=O)c2ccccc2C3=O Tox21_300580 -NCGC00090858-02 196714479 tox21-ror-cho-viability-p1 set2 4 -2.08254895 -4.40932706 -1.04680081 -2.27801945 -9.63384391 -2.63293174 -5.72660206 -6.84339982 -4.07299306 -9.25177461 -11.08656736 -2.36596301 -14.3844231 -3.00353252 -4.06529036 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00254678-01 196714481 tox21-ror-cho-viability-p1 set2 4 -0.15423613 -0.9357764 1.44276354 -0.12980485 2.66371256 0.48977858 2.12640918 0 1.18733002 2.39132215 -9.6282553 0.18336521 1.45537302 -1.66039409 2.32167062 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-40-1 2319 144211091 A Benfluralin [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCCC)CC)C(F)(F)F Tox21_300774 -NCGC00254792-01 196714484 tox21-ror-cho-viability-p1 set2 4 -4.77188984 0.21397025 0.93871126 -1.22127735 -1.85585567 -3.31553415 -0.45857004 -2.28496218 0.46872036 -2.63654675 -2.73366358 -3.48520072 0.79495891 3.56814262 -1.13760214 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131-70-4 8575 144211205 A A Monobutyl phthalate O=C(O)c1ccccc1C(=O)OCCCC Tox21_300888 -NCGC00254658-01 196714491 tox21-ror-cho-viability-p1 set2 4 7.6958821542 -15.53736446 1.5 -14.03736446 0.4 0.5818416587 0.1257627012 1.03174163 1.25385284 1.37525168 0.87480214 -0.48700536 0.28205328 0.74334976 -8.49156433 1.00742389 -7.70673381 0.78642704 -6.77902953 -8.73606329 -10.03113705 -0.73961713 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1007-28-9 13878 144211070 A A Deisopropylatrazine Nc1nc(NCC)nc(Cl)n1 Tox21_300753 -NCGC00253918-01 196714494 tox21-ror-cho-viability-p1 set2 4 8.6349217992 8.5667166439 -7.5667166439 1 1.24751 0.4652280342 0.2110971946 -7.72524806 -4.83249749 -1.15055053 -7.11207388 -5.74924368 -10.42263123 -15.47226387 -9.01042342 -9.9776666 -2.79038884 -5.27850808 -4.00184026 -1.18503898 -0.44925842 0.94568328 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-46-3 5054 144210460 A A Resorcinol Oc1cccc(O)c1 Tox21_300140 -NCGC00254614-01 196714496 tox21-ror-cho-viability-p1 set2 4 -2.6068938 -1.67280858 -1.77182403 -0.69421452 -4.55656811 0.08380236 -0.888663 -5.08751825 -1.97740428 -5.39467306 -1.05619535 -1.25442798 -0.85913712 0.93215129 0.6575229 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5234-68-4 21307 144211023 A A Carboxin O=C(Nc1ccccc1)C=2SCCOC=2C Tox21_300706 -NCGC00255665-01 196710368 tox21-ror-cho-viability-p1 set2 4 0.93164759 4.08783352 1.03143104 2.27698116 2.77452755 2.94240615 -0.05570567 -0.04155055 -0.00351082 -0.02538607 -0.3729449 0.07434354 2.84814725 3.25490048 4.98480522 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 75-85-4 6405 144212673 Ac 2-Methyl-2-butanol CC(C)(O)CC Tox21_302356 -NCGC00255128-01 196710353 tox21-ror-cho-viability-p1 set2 4 0.6113056486 4.3553114399 -5.3553114399 -1 4.9549173134 0.5537095117 0.1508720423 -2.90925964 -5.00801672 -8.6294262 -5.9999995 -2.62556611 -7.12358652 -3.74057806 -5.33432392 -2.25118011 1.94433494 1.34431719 -2.63920448 -2.09471659 -2.20622592 -3.85651287 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-36-7 8179 144212367 A Ac Diethylene glycol diethyl ether CCOCCOCCOCC Tox21_302050 -NCGC00260492-01 196711427 tox21-ror-cho-viability-p1 set2 4 -2.11058699 0.78528428 -1.85665526 -0.7595655 -0.18351666 2.02231912 0.49806138 4.63641006 0.45537131 -0.23965864 -0.96573729 0.88867732 0.5283828 2.10975896 5.52359894 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.00000369 0.000008252 0.000018449999999 0.000041259999999 0.00009226 781-73-7 69908 144210144 A A 2-Acetylfluorene CC(=O)c1ccc2c3ccccc3Cc2c1 Tox21_202946 -NCGC00255444-01 196710996 tox21-ror-cho-viability-p1 set2 4 -2.0340053 -6.44646984 -12.60316741 -0.77275661 -3.36687702 -0.45735266 -0.33710949 -0.30761745 -3.73257963 1.49777949 -0.07477933 -0.94955021 -6.94679709 -0.11789037 -1.97823855 1.178E-8 2.6339999999E-8 5.89E-8 1.317E-7 2.945E-7 6.5849999999E-7 0.0000014719999999 0.0000032919999999 0.000007362 0.00001646 0.00003681 0.00008231 0.00018409999999 0.0004116 0.00092029999999 34681-23-7 9571009 144212589 A A Butoxycarboxim CC(C(\C)=N\OC(=O)NC)S(C)(=O)=O Tox21_302272 -NCGC00256123-01 196710999 tox21-ror-cho-viability-p1 set2 4 -3.9028606 -2.66028401 0.35654033 0.09154932 -3.87563911 0.53315161 0.4855901 -0.41200823 -0.16861368 0.12572124 1.50620751 0.35345896 0.02412846 1.13664998 5.03858225 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-44-2 60988 144212277 A A 2-Aminobenzene-1,4-disulfonic acid Nc1cc(ccc1S(O)(=O)=O)S(=O)(=O)O Tox21_301960 -NCGC00255765-01 196711004 tox21-ror-cho-viability-p1 set2 -2.2 12.1971512362 -45.9370391126 -2.294749553 -48.2317886656 0.7999999999 0.9461210918 0.0000126437 0.20031249 -7.6079534 -0.01867654 -1.79425351 -7.38949573 -1.24829933 -3.92442304 -3.04098625 -4.38075108 -6.40392552 -19.9443168 -24.46987822 -25.54961867 -33.45347261 -42.74718304 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135-65-9 67277 144211781 A A 3-Hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide [O-][N+](=O)c1cccc(c1)NC(=O)c2cc3ccccc3cc2O Tox21_301464 -NCGC00260500-01 196711830 tox21-ror-cho-viability-p1 set2 2.4 35.5682439551 23 2 25 0.5 0.8422367383 0.0028596374 0.61620396 1.32257236 0.94682651 5.61332937 1.9522179 4.85732161 6.79259332 4.8502725 5.71241239 5.64213533 7.07447279 6.82172129 9.28839049 14.04298618 19.49830202 1.214E-9 2.7139999999E-9 6.0679999999E-9 1.357E-8 3.034E-8 6.7849999999E-8 1.517E-7 3.3919999999E-7 7.586E-7 0.000001696 0.000003793 0.0000084809999999 0.00001896 0.000042399999999 0.000094819999999 994-28-5 70438 144210152 Fns Triethylgermanium chloride CC[Ge](Cl)(CC)CC Tox21_202954 -NCGC00163927-04 196709781 tox21-ror-cho-viability-p1 set2 4 0.57822829 -2.1943109 -0.37964805 -1.05625716 -3.27787675 -2.35515837 -0.7347212 2.37914488 1.26835212 2.33579257 2.63663973 1.28327997 1.14556686 2.78003262 4.51375932 1.203E-9 2.6889999999E-9 6.014E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003759 0.000008404 0.000018789999999 0.00004202 0.000093959999999 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00090962-05 196709376 tox21-ror-cho-viability-p1 set2 4 48.2616000528 -11.772655652 -1 -12.772655652 2.3331733767 0.8304292507 0.0040350057 0.44155508 0.16519858 -1.12933497 -2.28297733 -1.21237759 -2.75409588 -3.06666993 -1.54462402 0.66570694 -1.18728088 -0.26877011 0.90261651 -1.21742624 -6.13338613 -10.64387971 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00259499-01 196709774 tox21-ror-cho-viability-p1 set2 4 8.6173622229 -9.935882172 0 -9.935882172 3.0654483358 0.6586231241 0.0594091924 -5.96593302 2.75132377 2.79474686 0.10773454 -0.43825086 -0.18026682 2.18569255 2.35946026 -1.78546917 -0.98596398 -1.53057131 -3.13134209 -13.27990181 -4.61125924 -12.20627698 1.1779999999E-9 2.633E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.00000368 0.00000823 0.000018399999999 0.00004115 0.00009201 55268-74-1 4891 144209148 A A Praziquantel O=C2CN(CC1c3ccccc3CCN12)C(=O)C4CCCCC4 Tox21_201950 -NCGC00259847-01 196709776 tox21-ror-cho-viability-p1 set2 4 0.2876879 -0.63836698 -0.7497043 -1.10981746 -1.09005408 2.85423713 1.01505057 1.45059546 -0.74035421 1.19438638 -1.14746877 3.17896955 -0.30629337 2.94440147 -1.26046472 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.593E-8 1.474E-7 3.297E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009214 94-60-0 7198 144209496 I A Dimethyl hexahydroterephthalate COC(=O)C1CCC(CC1)C(=O)OC Tox21_202298 -NCGC00091086-02 196710198 tox21-ror-cho-viability-p1 set2 4 -2.17111717 -5.13596968 -3.26618726 -4.64360038 -0.37963186 -4.94282704 -0.38913134 -2.23106605 -0.59996273 -0.755845 -0.65107922 -4.68570136 -4.52198628 -1.97793235 0.92137666 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00256282-01 196710205 tox21-ror-cho-viability-p1 set2 4 3.64646377 -0.66102524 -3.07774667 3.0265681 -0.82328308 -0.09671235 0.30080719 -0.24258423 -2.37940007 1.41022148 -0.41082874 -1.90217722 1.32618334 4.91017242 5.23528052 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 31983-27-4 1551245 144211590 I Fns (2Z)-3,7-Dimethylocta-2,6-dienenitrile C\C(C)=C\CCC(/C)=C\C#N Tox21_301273 -NCGC00255840-01 196710207 tox21-ror-cho-viability-p1 set2 4 -4.41093168 -1.86093459 -4.30261082 -0.24518196 0.22002126 0.11608572 0.13495476 0.31475589 0.26183371 1.82356612 1.76665539 0.71713958 1.36623294 1.0700416 0.18823421 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26402-26-6 3033877 144211852 A A Glyceryl monooctanoate OCC(O)COC(=O)CCCCCCC Tox21_301535 -NCGC00256016-01 196710210 tox21-ror-cho-viability-p1 set2 4 0.0769588215 5.942517104 -6.942517104 -1 1.5094870999 0.4067549129 0.2669810648 -7.63762432 -4.85886846 -2.78166953 -14.53543092 -2.59647249 -4.02979187 -3.35548023 -3.70027781 2.24409505 -0.84221461 0.47389287 -2.12112288 -2.57197304 -4.21350023 1.40341435 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 151-10-0 9025 144212665 A A 1,3-Dimethoxybenzene COc1cccc(OC)c1 Tox21_302348 -NCGC00167491-04 196726181 tox21-ror-cho-viability-p1 set3 4 0.0066824247 -24.9602886239 9 -15.9602886239 1.98874246 0.8520467262 0.0021150467 5.21519517 14.72069395 0 0 -12.42120965 -17.03103032 -15.29980391 -12.93421855 -22.05024052 -18.97362581 -19.70710531 -11.31844474 -15.13207765 -13.04175523 -11.10056665 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 191732-72-6 216326 170465201 A Lenalidomide O=C1NC(=O)CCC1N3Cc2c(cccc2N)C3=O Tox21_112492_1 -NCGC00257831-01 196730261 tox21-ror-cho-viability-p1 set3 -2.4 77.0370913869 -32.215533684 -0.5 -32.715533684 4.9549173134 0.8038721613 0.0073436517 -2.55650055 -2.69317494 -0.48472421 -0.43051648 -2.2641762 -3.29167264 1.21741492 -0.06068547 -1.86037542 -0.90406245 -2.33475021 -2.37122414 9.25595948 0.83372699 -25.59627807 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.00004125 0.000092249999999 1074-12-0 14090 144207475 C Phenylglyoxal O=C(C=O)c1ccccc1 Tox21_200277 -NCGC00017352-24 196726185 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -59.9811414481 -0.7022382719 -60.68337972 4.9549173134 0.7176892817 0.0305720741 -12.87471299 -11.16683723 5.52856187 -6.10500945 -5.57855035 13.66030034 -4.61985956 -2.57114547 -5.57310641 12.92921379 -1.44819289 -6.54482966 11.82292704 -2.54512473 -53.36208238 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 501-36-0 445154 170466838 A Resveratrol Oc2cc(/C=C/c1ccc(O)cc1)cc(O)c2 Tox21_110257_1 -NCGC00159340-05 196725348 tox21-ror-cho-viability-p1 set3 1.2 0.0094391758 45.6553166583 0.058510966 45.7138276243 4.9549173134 0.8211190497 0.0055521895 1.66710402 0.23534362 4.14580624 0 47.73586015 51.65709457 44.12922789 25.60539082 32.67732344 38.44720207 43.68236029 59.41489034 39.36681546 55.65386569 57.04980638 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 89785-84-2 23663400 170465148 A Tazobactam sodium [Na+].O=S3(=O)[C@@](C)(Cn1ccnn1)[C@@H](N2C(=O)C[C@H]23)C([O-])=O Tox21_111584_1 -NCGC00182704-02 196726184 tox21-ror-cho-viability-p1 set3 4 0.0094391758 11.5 3.5 15 4.9549173134 0.6469314989 0.0778354879 5.00011727 5.9731873 3.72149434 0 20.14680195 15.75794037 13.92130242 19.71155131 10.41267455 7.42239798 14.94066242 18.68810842 16.46092635 14.64578411 3.73366327 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 187164-19-8 3003141 144206804 A A Luliconazole N#C/C(=C1/SC[C@H](S1)c2ccc(Cl)cc2Cl)n3ccnc3 Tox21_112974_1 -NCGC00257059-01 196726593 tox21-ror-cho-viability-p1 set3 4 -2.47162762 1.99940817 0.82572782 1.11928212 1.49807145 0.73597754 3.99770247 2.51254418 0.30949942 5.96022133 4.1577976 -0.24124434 1.11437588 1.19532587 5.45315008 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-90-5 8906 144213633 A Fns Dodecyl 2-methylacrylate C=C(C)C(=O)OCCCCCCCCCCCC Tox21_303316 -NCGC00159417-06 196726595 tox21-ror-cho-viability-p1 set3 -2.1 44.2913331849 -89.6291061837 4.4500945729 -85.1790116108 2.2526478767 0.9687261592 6.143E-7 1.57105692 1.02175519 -2.56682792 0.95866535 7.18856263 6.9819284 10.02916035 9.27252272 0.22752466 8.11697152 8.52125754 -0.11064975 -5.40995902 -38.4790789 -70.96894819 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008409 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00257046-01 196726606 tox21-ror-cho-viability-p1 set3 4 0.15538301 1.08059596 -0.02692624 0.90424281 0.18019609 -0.42464671 1.32383142 2.71475534 3.52476478 5.55067532 4.53100818 -0.66508849 0.92586157 4.6399014 0.54896062 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-59-4 8199 144213425 C A 2-[2-(Hexyloxy)ethoxy]ethanol OCCOCCOCCCCCC Tox21_303108 -NCGC00257358-01 196726617 tox21-ror-cho-viability-p1 set3 4 0.00301663 1.14252229 2.3294493 -0.19817858 2.91181571 -0.07196084 5.81103799 2.20919529 5.92513496 3.8808892 5.66408633 1.69411949 5.02482811 2.46047171 1.2600136 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 616-38-6 12021 144213895 Fns Dimethyl carbonate O=C(OC)OC Tox21_303590 -NCGC00256421-01 196727022 tox21-ror-cho-viability-p1 set3 4 1.65799698 2.82153884 2.18097705 -1.14726617 1.65145513 1.92508521 0.89329774 -0.43959661 2.85387502 1.38722155 0.34934639 2.59881852 3.02453444 -0.76158843 -1.05589515 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 930-55-2 13591 144213230 A F N-Nitrosopyrrolidine O=NN1CCCC1 Tox21_302913 -NCGC00257440-01 196727026 tox21-ror-cho-viability-p1 set3 -2.1 27.3060203028 -89.052973233 -3.392984977 -92.44595821 0.9999999999 0.9909556357 5E-10 -3.91626334 -4.49188141 -4.33396367 -6.36247909 -1.35646235 -0.49352454 0.16321627 -3.76111374 -5.71804358 -10.04099663 -16.64200077 -24.97270667 -38.41814461 -54.38500155 -73.7666335 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 569-61-9 11292 144213886 A A C.I. Basic Red 9 monohydrochloride Cl.N=C1C=C/C(C=C1)=C(\c2ccc(N)cc2)c3ccc(N)cc3 Tox21_303581 -NCGC00257052-01 196727031 tox21-ror-cho-viability-p1 set3 4 4.26073887 5.46096012 2.90648588 2.48175942 6.42155444 2.77728997 3.15567844 6.46774622 6.71070253 5.60069989 3.09351762 6.44846532 3.10618503 7.19198216 8.56651582 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 108-38-3 7929 144213520 Fns m-Xylene Cc1cccc(C)c1 Tox21_303203 -NCGC00257026-01 196707517 tox21-ror-cho-viability-p1 set1 4 -6.15771784 -2.95256738 -3.174606 1.60963662 -11.72146704 -0.47019617 -7.3478157 -7.79132051 -9.98155634 -12.49977221 -7.61267142 -13.26554794 -1.23865927 -5.97881191 -4.40704827 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-54-6 228987 144213424 B D 3-(4-tert-Butylphenyl)-2-methylpropanal CC(C)(C)c1ccc(CC(C)C=O)cc1 Tox21_303107 -NCGC00259018-01 196706684 tox21-ror-cho-viability-p1 set1 -2.4 68.241009061 -40.118740564 1.5 -38.618740564 3.6772481694 0.9152546194 0.0001396033 1.91975198 3.60002277 2.73663321 0.00263243 0.29957206 0.81684432 -0.17608649 -0.13819145 8.05544089 -0.0302502 2.02920787 0.66256256 -2.92438453 -3.59490898 -28.84895047 1.175E-9 2.628E-9 5.877E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.346E-7 0.000001643 0.000003673 0.0000082129999999 0.000018359999999 0.00004107 0.000091819999999 1478-61-1 73864 144208665 A A Bisphenol AF Oc1ccc(cc1)C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F Tox21_201467 -NCGC00259049-01 196706685 tox21-ror-cho-viability-p1 set1 4 -0.41520782 6.04103008 -1.02569889 -0.94802715 -1.50958657 -0.90897882 0.52475044 0.31877715 9.48486798 1.11157022 -4.2546108 -2.05374665 -0.50406322 -0.88179171 0.24341771 1.163E-9 2.601E-9 5.816E-9 1.301E-8 2.908E-8 6.503E-8 1.454E-7 3.2509999999E-7 7.27E-7 0.0000016259999999 0.0000036349999999 0.000008129 0.00001818 0.00004064 0.00009088 20265-97-8 2734956 144208696 A A 4-Methoxyaniline hydrochloride Cl.Nc1ccc(OC)cc1 Tox21_201498 -NCGC00256966-01 196707510 tox21-ror-cho-viability-p1 set1 4 -10.66587967 -17.74273619 -16.83610354 -10.95740957 -10.69289169 -3.00792087 -2.40839975 -19.54423554 -17.27250385 -18.2036647 -20.60694674 -12.18913595 -12.61952185 -14.14944449 -10.38423684 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-82-8 8344 144213350 A A Di(2-methoxyethyl) phthalate O=C(OCCOC)c1ccccc1C(=O)OCCOC Tox21_303033 -NCGC00256762-01 196707941 tox21-ror-cho-viability-p1 set1 1.4 0.0038570779 18.093947924 -16.093947924 2 4.9549173134 0.8745632307 0.0009811973 -13.57360501 -17.16162327 2.05356422 4.20030415 3.6201484 2.6178745 2.10189964 2.26374359 0.21689578 4.95479826 -1.7796109 -1.11817111 0.41309207 3.58619166 3.42256804 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-92-4 8863 144212857 C C Hydroxycitronellal dimethyl acetal COC(CC(C)CCCC(C)(C)O)OC Tox21_302540 -NCGC00257350-01 196707944 tox21-ror-cho-viability-p1 set1 4 -0.17222259 -4.46104714 0.60330092 2.30165748 1.46481685 -11.97657465 -2.74084368 -0.07637229 0.94162523 -9.52099019 -7.17929917 -2.6956042 5.95667868 -2.43288275 2.07051609 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13755-29-8 4343483 144213760 Z Z Sodium tetrafluoroborate [Na+].F[B-](F)(F)F Tox21_303450 -NCGC00257098-01 196707946 tox21-ror-cho-viability-p1 set1 -2.2 61.130564862 -48.3931440598 -1.1711255649 -49.5642696247 3.5722481694 0.969590856 5.255E-7 -0.17456492 1.13226351 -2.91369469 0.28850728 -5.42167402 -0.1286676 -1.84790339 -2.77423647 0.57880572 -0.22058573 0.69076184 0.19065579 -3.70329395 -10.31638561 -40.57899214 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 500-66-3 10377 144213649 A A Olivetol Oc1cc(CCCCC)cc(O)c1 Tox21_303332 -NCGC00091380-04 196708344 tox21-ror-cho-viability-p1 set1 4 0.10544125 -10.38221099 -1.59711267 0.13033692 -1.44612808 -11.03542773 3.26129008 -5.72879253 -5.06199686 -0.77545983 1.0399048 -4.98057518 -10.1287022 -7.01247308 0.5551992 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00256821-01 196708357 tox21-ror-cho-viability-p1 set1 4 4.91822631 5.98327574 4.70068276 2.66027152 0.0288588 0.46041686 6.28659122 4.78291415 9.41326191 5.17179799 3.45147748 7.1506253 6.74023805 3.60544167 13.3090101 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 64275-73-6 5352837 144212919 A A (Z)-5-Octen-1-ol CC\C=C/CCCCO Tox21_302602 -NCGC00257132-01 196708363 tox21-ror-cho-viability-p1 set1 4 38.5707788719 -16.633016504 3 -13.633016504 4.0949729863 0.6626697546 0.0569767385 4.09626335 -0.49500234 1.73950635 0.45017541 1.77304332 0.92079631 6.39057067 5.19933926 7.84358831 0.60600417 1.10899605 11.75863291 -0.96430571 -6.2208782 -13.44418042 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 136-35-6 8689 144213566 F F Diazoaminobenzene N(=N/Nc1ccccc1)\c2ccccc2 Tox21_303249 -NCGC00257434-01 196708365 tox21-ror-cho-viability-p1 set1 4 1.75571402 1.8528467 0.96678881 -0.08805969 1.36382427 0.22978271 10.41181549 4.68697909 6.81708175 1.79489533 6.3770546 6.54148626 0.81903687 -1.33428592 2.52163555 7.904E-10 1.7669999999E-9 3.952E-9 8.8369999999E-9 1.976E-8 4.419E-8 9.88E-8 2.209E-7 4.94E-7 0.000001105 0.00000247 0.0000055229999999 0.000012349999999 0.00002762 0.00006175 67-30-1 65552 144213801 A Tetrac O=C(O)Cc2cc(I)c(Oc1cc(I)c(O)c(I)c1)c(I)c2 Tox21_303492 -NCGC00258969-01 196708759 tox21-ror-cho-viability-p1 set2 4 59.1466655247 -20.872691608 -0.5 -21.372691608 3.9294729863 0.9332774544 0.000040509 1.01085199 -3.76769297 0.54934687 -0.1693373 -0.55005735 -0.37791924 -2.38660192 -1.19934119 0.60030209 -0.59053256 -0.84371552 0.03323757 -0.9443252 -4.44977866 -17.81057634 1.148E-9 2.568E-9 5.7419999999E-9 1.284E-8 2.8709999999E-8 6.4199999999E-8 1.436E-7 3.21E-7 7.1779999999E-7 0.0000016049999999 0.000003589 0.000008025 0.00001794 0.00004013 0.00008972 88-60-8 6937 144208616 A A 2-tert-Butyl-5-methylphenol CC(C)(C)c1ccc(C)cc1O Tox21_201418 -NCGC00090874-04 196726819 tox21-ror-cho-viability-p1 set3 4 -2.41553269 -3.91514839 1.41110767 -2.90727762 1.8661025 -2.70009004 -7.04266531 -3.56624891 0 0 0 -1.67104252 -3.41661478 -1.38910905 -1.04253331 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00091499-05 196712033 tox21-ror-cho-viability-p1 set2 -1.4 0.8634921799 -41.6676639924 -1.270485704 -42.9381496964 1.6604358099 0.9199277181 0.2795580012 -0.92045175 1.68706322 -1.40882675 -1.27022884 -0.09137609 -6.51031746 -0.61002062 -18.14348165 -10.11311196 -35.95485571 -46.01779382 -35.57388951 4.93409076 -43.05039358 -23.78122753 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00260541-01 196712021 tox21-ror-cho-viability-p1 set2 4 5.4023586064 11.772997988 0.227002012 12 0.4 0.4466696971 0.2316465297 -1.27967197 3.18080601 0.46158992 0.28157002 -0.94630496 -1.89416499 3.25078667 2.92617266 4.76289703 1.29308824 1.81224668 1.55807217 2.4190996 8.44302697 5.10150032 6.589E-11 1.473E-10 3.2939999999E-10 7.366E-10 1.647E-9 3.6829999999E-9 8.236E-9 1.842E-8 4.118E-8 9.2079999999E-8 2.0589999999E-7 4.6039999999E-7 0.0000010289999999 0.000002302 0.000005147 137-16-6 23668817 144210194 F Sodium [dodecanoyl(methyl)amino]acetate [Na+].O=C(CCCCCCCCCCC)N(C)CC([O-])=O Tox21_202996 -NCGC00357191-01 196712436 tox21-ror-cho-viability-p1 set2 -2.2 48.5577336745 -48.7059208054 2.4668974854 -46.23902332 1.8616924601 0.9740134696 2.146E-7 1.14828783 1.0930627 3.3804636 3.73747105 1.74609116 2.17972851 1.17197266 5.22835053 4.53735804 5.25369929 -1.10168483 1.08805124 -5.17207637 -16.62068602 -35.408351 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 540-38-5 10894 251919907 A 4-Iodophenol Ic1ccc(O)cc1 Tox21_303957 -NCGC00091086-02 196712439 tox21-ror-cho-viability-p1 set2 4 43.2771256911 25.23888196 0.76111804 26 1.4641 0.6542067926 0.0616270525 -3.9490683 -0.10625026 -3.13692852 -2.52132173 0.19004574 1.81393817 11.21643816 0.56362707 2.10789704 -1.42253788 1.02710652 10.60782761 0.22288382 14.10776723 22.33478897 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00357232-01 196712447 tox21-ror-cho-viability-p1 set2 2.4 86.3492179916 25 3 28 0.7999999999 0.7653600308 0.0153484599 0.11475467 2.64802 1.79571398 3.43365946 1.75995066 2.45724601 2.26544925 5.32393445 6.35892825 6.48358249 4.5988685 7.09113637 3.93899712 9.76696718 20.20352342 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 623-33-6 2723640 251919926 A Ethyl glycinate hydrochloride Cl.NCC(=O)OCC Tox21_304019 -NCGC00181026-02 196712852 tox21-ror-cho-viability-p1 set2 -2.4 29.8492948118 -28.26281562 0.5 -27.76281562 4.0949729863 0.8953165022 0.000406712 1.82538208 2.27127559 -0.04474546 -0.41246575 7.68421308 -0.69289386 -0.16126571 0.36834524 0.74335612 0.60511138 -1.64172256 -0.37760326 -0.54324499 -4.65276235 -23.55234635 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25875-51-8 60196301 170465629 A Robenidine Clc2ccc(/C=N/NC(=N)N\N=C/c1ccc(Cl)cc1)cc2 Tox21_112676_1 -NCGC00090965-04 196712856 tox21-ror-cho-viability-p1 set2 4 0.0172289341 -16.5312302639 15 -1.5312302639 0.3 0.6962127472 0.0402013549 10.20813592 11.52297483 5.46554448 10.08710417 0.32267162 7.43147575 4.55814273 2.64612423 3.55489064 0.52668569 3.93495613 1.0489027 0.0097642 0.68876113 -2.52602522 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00016384-15 196712862 tox21-ror-cho-viability-p1 set2 4 11.8832183006 -17.17557892 -0.5 -17.67557892 3.9899729863 0.9461228676 0.0000127621 -0.18206919 -3.2632198 -3.78369141 0.08415318 0.73326795 -1.15565206 -0.25437237 0.1459915 -1.06640136 -0.43832887 0.42887286 0.58660012 -4.20104122 -16.28502249 -17.2296491 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127-69-5 5344 170464636 A Sulfisoxazole Cc2c(NS(=O)(=O)c1ccc(N)cc1)onc2C Tox21_110409_1 -NCGC00159400-07 196713261 tox21-ror-cho-viability-p1 set2 4 0.06129166 0.56135793 0.71951504 0.35365599 0.97604996 1.90561066 0.65314005 2.06905094 1.29782234 2.03383553 0.89554096 0.192169 -0.96824982 -0.61832188 -0.9123046 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 100-55-0 7510 170466803 Z Nicotinyl alcohol OCc1cccnc1 Tox21_113448_1 -NCGC00260439-01 196712053 tox21-ror-cho-viability-p1 set2 4 0.79315392 2.20601239 0.78361455 2.04818047 1.78192215 4.80754588 3.56868454 8.62318754 6.58191864 0.04283754 -0.05901647 6.71373126 7.49497811 8.92302195 6.18052382 5.892E-10 1.317E-9 2.9459999999E-9 6.587E-9 1.4729999999E-8 3.293E-8 7.3639999999E-8 1.647E-7 3.682E-7 8.234E-7 0.0000018409999999 0.000004117 0.000009206 0.000020579999999 0.00004603 127-85-5 23670523 144210091 F Ac Sodium arsanilate [Na+].O=[As]([O-])(O)c1ccc(N)cc1 Tox21_202893 -NCGC00356970-01 196711642 tox21-ror-cho-viability-p1 set2 4 -1.25988809 -1.4856817 0.6255051 1.32874476 -1.13595796 4.07134392 0.73322472 3.4351362 3.40402313 2.04336712 4.89732407 5.70985796 7.09148391 3.73166907 1.96315473 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 609-23-4 11862 251919660 A 2,4,6-Triiodophenol Ic1cc(I)c(O)c(I)c1 Tox21_303909 -NCGC00357119-01 196711643 tox21-ror-cho-viability-p1 set2 4 -4.54378377 0.23575927 -0.74711366 -5.77500163 -4.15594698 -8.68982591 -4.65546794 -9.20970518 -5.09717882 -8.2181223 -4.76454496 0 0 -7.46990862 -7.06919841 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-56-8 11439 251919859 Succinimide O=C1CCC(=O)N1 Tox21_303851 -NCGC00356965-01 196712035 tox21-ror-cho-viability-p1 set2 4 -2.48751988 -3.0445267 -6.48759197 -5.22218938 -1.63663626 -2.70016045 -9.31821181 -2.83090956 -12.36230437 -6.55990193 -9.33700598 0 0 -6.91681294 -14.93593471 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2481-94-9 17204 251919768 A C.I. Solvent Yellow 56 CCN(CC)c1ccc(cc1)/N=N/c2ccccc2 Tox21_303805 -NCGC00357276-01 196712279 tox21-ror-cho-viability-p1 set2 4 24.3365162115 11.15905732 1.34094268 12.5 4.9549173134 0.8164344021 0.0056037835 -0.23817754 1.52555734 -0.92516335 -0.95279101 -0.29001327 4.63377308 3.20551234 2.11448473 4.20485554 2.249566 1.14291004 -0.9658811 3.54459741 11.86783385 12.33384316 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10061-01-5 5280970 251919704 Fns (Z)-Dichloropropene Cl\C=C/CCl Tox21_303973 -NCGC00357088-01 196711460 tox21-ror-cho-viability-p1 set2 4 -4.25426535 -3.7881472 -9.76039962 -9.46707607 -7.07174831 -11.71343347 -4.65696987 -13.43579547 -44.91562161 -8.85818236 0 -8.68505353 0 -19.90437037 0.27006943 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 628-81-9 12355 251919932 Fns 1-Ethoxybutane CCOCCCC Tox21_303804 -NCGC00260194-01 196711869 tox21-ror-cho-viability-p1 set2 2.4 68.729149849 34.8624716361 1.1375283639 36 4.4494702849 0.9519985603 0.0000067633 1.16071032 -0.8990886 1.09220656 2.55709417 0.60491781 -0.00385172 3.44564979 2.34485085 0.80376452 -2.38539303 1.40511853 1.23341904 3.93003788 3.59236378 28.52149438 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.386E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 219947-95-2 50878565 144209844 F 1-Hexadecyl-3-methylimidazolium hexafluorophosphate F[P-](F)(F)(F)(F)F.C[n+]1ccn(CCCCCCCCCCCCCCCC)c1 Tox21_202646 -NCGC00260639-01 196712273 tox21-ror-cho-viability-p1 set2 4 21.1316824289 15.4710075319 -4.4710075319 11 3.5117481694 0.5277362033 0.1544330277 -0.23923395 -0.98452748 -0.05626064 -6.21556587 -4.29457063 -3.35731281 -3.61794311 -13.72583961 -0.88751456 -7.2921403 -8.71682277 -0.46637258 -7.42852794 4.32016856 9.7527508 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49535 144210292 M M NTP Mix115 ER1 10-EQC Tox21_203094 -NCGC00183852-01 196712688 tox21-ror-cho-viability-p1 set2 4 -0.94115871 0.19282059 -1.47852015 -0.97387251 -0.12792813 -0.29934842 1.75021362 0.52891461 -0.44642465 0.65849493 0.55325081 2.73807367 2.0044385 1.18251454 1.12573109 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2001-81-2 71809 144206825 A A Diponium bromide [Br-].CC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C2CCCC2 Tox21_113274 -NCGC00021139-11 196712693 tox21-ror-cho-viability-p1 set2 4 29.8492948118 8.9292109919 -1.9292109919 7 4.0949729863 0.5281947426 0.1569060372 1.63270037 -1.94197395 -3.29086249 0.15763739 -4.94100916 -4.12034551 -2.33956954 -3.22372483 -0.07010223 -1.89579856 -4.34557284 -0.20244022 0.1699808 -0.282661 5.80542614 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-41-0 1775 170464785 A 5,5-Diphenylhydantoin O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3 Tox21_110861_1 -NCGC00249902-01 196712697 tox21-ror-cho-viability-p1 set2 4 -1.17186587 -3.88623464 -3.17916001 -0.81094419 -3.38328443 -3.57870509 -4.3234756 -4.46213865 -0.94185048 -1.30836487 -1.04702327 -0.28714209 -2.94635725 -4.64343527 -11.30736675 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98123-83-2 72026 170465737 A F Epsiprantel O=C2CN(CC1c3ccccc3CCCN12)C(=O)C4CCCCC4 Tox21_113678 -NCGC00256200-01 196710653 tox21-ror-cho-viability-p1 set2 4 1.78513063 2.88102622 0.35264062 -2.33741705 3.74154965 2.4482238 0.1748515 -4.12231313 0.5291098 1.3428917 -0.06694205 0.55204303 2.35155424 2.63508625 2.79323006 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 7778-74-7 516900 144212509 Potassium perchlorate [K+].[O-]Cl(=O)(=O)=O Tox21_302192 -NCGC00090773-04 196710237 tox21-ror-cho-viability-p1 set2 4 2.49583707 0.15294969 2.28073937 1.38371404 0.02153415 -0.60567372 -0.34632852 3.51974795 -1.69548806 0.68181414 1.02308878 2.0285519 -2.22094272 2.23279249 1.73718553 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00255273-01 196710637 tox21-ror-cho-viability-p1 set2 4 4.62950719 2.63768391 -0.8623197 -1.94544925 -0.58887787 -0.40799235 -1.45972835 3.53906002 3.47407939 1.74649109 2.90013819 3.64043998 -1.01268974 -1.28082643 2.76454624 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60599-38-4 43371 144211552 A A N-Nitrosobis(2-oxopropyl)amine O=C(C)CN(CC(=O)C)N=O Tox21_301235 -NCGC00255995-01 196710638 tox21-ror-cho-viability-p1 set2 4 -0.33380529 -3.19634781 -0.18788472 1.17750955 -0.3893311 -0.89378685 -0.68432179 -0.59878212 -3.31649099 -0.53539179 -1.26296497 -3.6770402 -5.83610141 -5.45052748 -3.55681662 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1119-94-4 14249 144212401 A A Dodecyltrimethylammonium bromide [Br-].C[N+](C)(C)CCCCCCCCCCCC Tox21_302084 -NCGC00255378-01 196710654 tox21-ror-cho-viability-p1 set2 4 4.606066 4.17347585 1.13135535 4.34241204 1.09013782 0.6882115 0.08717584 1.66233608 0.91095968 -0.11837234 0.27296302 0.58484059 0.01721966 2.71775673 0.06024209 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4802-20-4 20936 144212212 F F Dipentenedimercaptan CC1CCC(CC1S)C(C)CS Tox21_301895 -NCGC00255521-01 196728680 tox21-ror-cho-viability-p1 set3 4 1.94700674 -0.85469515 -3.45454081 -2.31000694 -1.27001235 -1.27562029 -0.1269477 0.02825541 2.58061483 -5.61849412 -1.02875806 -3.48827456 -4.52932362 0.39754732 -0.02760779 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6359-90-6 23675737 144212251 F C.I. Acid Yellow 34, monosodium salt [Na+].[O-]S(=O)(=O)c1ccc(Cl)c(c1)N3N=C(C)C(/N=N/c2ccccc2)C3=O Tox21_301934 -NCGC00255327-01 196727856 tox21-ror-cho-viability-p1 set3 4 27.3060203028 11.3835155319 -2.3835155319 9 4.9549173134 0.5930692133 0.1173770648 -1.59419942 0.24407966 -0.15552641 -1.31557949 -1.2855611 -8.65292961 -2.81543354 -2.45190322 -2.67395865 -3.49095649 -3.86827708 1.51840417 -3.34546532 9.2621374 -0.42802366 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 737-31-5 23672589 144211756 A A Diatrizoate sodium [Na+].O=C(C)Nc1c(I)c(c(I)c(NC(C)=O)c1I)C([O-])=O Tox21_301439 -NCGC00255891-01 196727857 tox21-ror-cho-viability-p1 set3 -1.1 0.3857077887 -104.7159498756 3.3320862665 -101.3838636091 1.8851180601 0.9866341388 0.0027508176 0.44789269 -0.76168431 -2.4379605 9.2785145 -1.2595281 2.58333714 2.26639319 -50.77775524 -87.82974246 -27.07737507 -100.80867326 -99.47838996 -101.79102772 -101.62601766 -98.17826203 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 637-03-6 4778 144211636 A Ac Phenylarsine oxide O=[As]c1ccccc1 Tox21_301319 -NCGC00256063-01 196728269 tox21-ror-cho-viability-p1 set3 4 -2.87268277 2.38967959 4.53900544 4.57394558 5.48988435 -1.45360233 3.32700446 4.89129639 4.44785812 3.93132655 -0.5018506 0.77767915 -0.65761102 -2.00259762 4.3965894 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.00009175 133-37-9 875 144212369 A A dl-Tartaric acid O=C(O)C(O)C(O)C(O)=O Tox21_302052 -NCGC00255969-01 196728685 tox21-ror-cho-viability-p1 set3 -1.1 27.3060203028 -112.507782718 4.8160359451 -107.6917467729 4.9549173134 0.9674610644 7.683E-7 -2.5893402 6.71612257 7.22032572 8.44966095 5.70103968 -4.40730872 7.27915927 -0.03074038 7.96317391 13.56384826 -4.69781349 6.84557959 -2.92906836 -106.83705037 -97.93954492 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 30007-47-7 1807 144211905 F A 5-Bromo-5-nitro-1,3-dioxane O=[N+]([O-])C1(Br)COCOC1 Tox21_301588 -NCGC00255861-01 196728687 tox21-ror-cho-viability-p1 set3 4 0.83477305 1.53773656 3.45353551 3.4195743 -0.84008345 2.35714606 6.03888719 6.21344311 11.76953631 2.26639719 1.59320383 0.64761558 5.07961982 6.06514633 0.21439106 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3724-43-4 77311 144212480 Bc N-(Chloromethylidene)-N-methylmethanaminium chloride [Cl-].C/[N+](C)=C\Cl Tox21_302163 -NCGC00260345-01 196723783 tox21-ror-cho-viability-p1 set3 4 0.0002247987 8.404861192 -5.904861192 2.5 2.09374246 0.4144218165 0.2598341944 -4.92071766 -4.57720019 0.42684847 0.82831187 1.71623629 0.77454362 3.55772798 9.01419577 -3.10882793 2.147435 1.86625678 2.6052897 0.08555363 0.00262867 7.8398573 6.211E-11 1.3889999999E-10 3.106E-10 6.9439999999E-10 1.553E-9 3.4719999999E-9 7.764E-9 1.736E-8 3.882E-8 8.68E-8 1.941E-7 4.34E-7 9.705E-7 0.00000217 0.000004853 10377-48-7 66320 144209997 Lithium sulfate [Li+].[Li+].[O-]S([O-])(=O)=O Tox21_202799 -NCGC00163906-02 196723779 tox21-ror-cho-viability-p1 set3 4 -4.67100877 -7.60002337 0.74093362 -4.94643351 -2.72647315 -6.39612586 -1.56643986 -2.73981384 -1.99847447 -1.33438361 -1.13787674 1.35102235 -1.79708952 -4.28375661 -3.05265328 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00258225-01 196723780 tox21-ror-cho-viability-p1 set3 -2.2 48.3109346869 -55.4050347666 0.5823362919 -54.8226984747 3.0654483358 0.8441035307 0.0026799778 -6.31346323 -5.3276458 -9.85773193 -9.10061083 6.58368369 4.30381913 5.89273595 6.55461288 5.36265446 -0.28852838 0.04222365 4.06170606 1.07532782 -21.80873625 -47.59295339 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003673 0.0000082119999999 0.000018359999999 0.00004106 0.000091819999999 4252-78-2 20250 144207869 D 2,2',4'-Trichloroacetophenone O=C(CCl)c1ccc(Cl)cc1Cl Tox21_200671 -NCGC00260558-01 196723782 tox21-ror-cho-viability-p1 set3 4 3.3491459627 7.9373337239 -6.4373337239 1.5 4.9549173134 0.3310953845 0.338211181 -12.2041468 -5.12558081 -4.80356892 -13.42565177 -6.99781816 -2.83134596 0.44795982 2.34808013 -7.3705269 -15.36444477 -6.5245529 0.02140385 -0.9223682 -0.81798548 5.41315802 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49454 144210211 M M NTP Mix66 CT1 62-EQP Tox21_203013 -NCGC00164077-02 196724181 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -14.420051524 2 -12.420051524 4.9549173134 0.5330945686 0.1509578706 -0.33128094 3.71348861 4.5190102 3.77768167 -0.17213421 7.33187358 4.0013263 2.6939752 0.70118956 2.77739002 -3.02877966 -1.03033278 1.09530333 2.06287425 -8.68337627 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00015623-10 196698028 tox21-ror-cho-viability-p1 set1 4 0.0007497804 -8.28632466 7 -1.28632466 0.4 0.319431437 0.3709535166 2.52204378 4.67580945 0.02910109 0.36528016 0.12218289 0.39623842 3.3267116 -1.35791084 0.02415424 -5.65527055 -0.07662894 0.17656884 1.08225335 -2.28591715 2.45354344 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6620-60-6 4922 170465774 A Proglumide O=C(NC(CCC(=O)O)C(=O)N(CCC)CCC)c1ccccc1 Tox21_110557_1 -NCGC00255362-01 196710440 tox21-ror-cho-viability-p1 set2 4 3.10761398 6.39212474 8.73225722 4.94953267 8.87711823 6.29697284 2.01272363 3.68685365 1.92768212 1.95026898 2.93811278 2.42628752 3.9739449 2.69977079 7.21905857 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-89-8 892 144212352 A A myo-Inositol O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O Tox21_302035 -NCGC00255928-01 196710425 tox21-ror-cho-viability-p1 set2 4 0.82288183 5.12034937 4.26004021 3.19510477 3.42296546 0.66592409 0.26492957 1.04577668 0.87269794 1.88984344 0.58597025 -0.61820884 1.08041672 1.27735227 -0.76873184 1.0499999999E-9 2.3479999999E-9 5.25E-9 1.174E-8 2.6249999999E-8 5.869E-8 1.312E-7 2.935E-7 6.562E-7 0.000001467 0.000003281 0.0000073369999999 0.00001641 0.00003668 0.00008203 36443-68-2 91620 144212725 A Triethylene glycol bis(3-tert-butyl-4-hydroxy-5-methylphenyl)propionate CC(C)(C)c1cc(cc(C)c1O)CCC(=O)OCCOCCOCCOC(=O)CCc2cc(C)c(O)c(c2)C(C)(C)C Tox21_302408 -NCGC00255336-01 196710432 tox21-ror-cho-viability-p1 set2 4 5.3146725 2.0728097 0.99924768 2.32842195 3.31394328 0.50482868 0.60149762 0.54631658 0.48853382 3.70779922 2.0223614 0.22360128 -0.03418609 1.18810401 1.28977628 9.438E-10 2.11E-9 4.719E-9 1.055E-8 2.3589999999E-8 5.276E-8 1.1799999999E-7 2.6379999999E-7 5.899E-7 0.000001319 0.0000029489999999 0.0000065949999999 0.00001475 0.00003297 0.00007373 6893-02-3 5920 144212260 A A 3,5,3'-Triiodothyronine O=C(O)[C@@H](N)Cc2cc(I)c(Oc1cc(I)c(O)cc1)c(I)c2 Tox21_301943 -NCGC00257545-01 196710438 tox21-ror-cho-viability-p1 set2 4 -2.02350982 -3.88591691 -1.61978453 -6.18175285 -1.4035489 -5.72068473 -3.76845262 0.90348703 -1.05357204 2.43216603 -0.91700147 2.59085615 0.87360153 3.32237571 -2.26609265 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 137-00-8 1136 144212504 A A Thiamine thiozole OCCc1scnc1C Tox21_302187 -NCGC00256269-01 196710841 tox21-ror-cho-viability-p1 set2 4 -0.52965485 3.1584449 3.20589816 5.14847972 0.51304589 -0.74271017 1.9959112 0.10810126 0.54839129 1.2066556 -0.97629667 2.25157952 0.0692114 0.57383974 1.99011402 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66357-35-5 3001055 144212689 A A Ranitidine [O-][N+](=O)\C=C(/NC)NCCSCc1ccc(CN(C)C)o1 Tox21_302372 -NCGC00256164-01 196710842 tox21-ror-cho-viability-p1 set2 4 1.29216796 -0.08865991 -0.63831528 -0.53197379 -4.89422647 -0.36391956 -0.14950383 0.02103335 0.72946115 -0.55623673 0.92371203 0.10712404 0.25633343 0.24343656 0.61929476 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27253-29-8 60196430 144212711 Fns Zinc neodecanoate [Zn+2].[O-]C(=O)C(C)(CC)CCC(C)C.CC(C)CCC(C)(CC)C([O-])=O Tox21_302394 -NCGC00255357-01 196728887 tox21-ror-cho-viability-p1 set3 4 1.66432329 -15.94405434 -7.51787522 -1.40792013 -0.67024437 -1.09705241 -7.64242841 -10.67134822 -3.53943431 -0.74528504 -5.66016763 -4.57645668 5.85702578 1.47111998 -7.8662654 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1214-39-7 62389 144211624 A A N-Benzyladenine N2=CN=C3N=CNC(NCc1ccccc1)=C23 Tox21_301307 -NCGC00256192-01 196728481 tox21-ror-cho-viability-p1 set3 4 -1.50988163 -0.36858201 -2.05941469 -1.709131 4.8873054 1.33165903 2.32796763 1.45182418 4.04316771 3.40105751 -2.06218617 0.01194927 -1.50461895 -0.14985474 1.88515146 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68298-46-4 91697 144212274 A A 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-amine Nc1cccc2CC(C)(C)Oc12 Tox21_301957 -NCGC00090701-06 196728491 tox21-ror-cho-viability-p1 set3 4 1.9331181962 -15.235952284 10.5 -4.735952284 0.4 0.3178800119 0.3503573009 -0.79568915 21.90886038 3.05523842 11.95625671 12.09386327 11.33749902 1.04881661 0.74750356 8.47767236 -2.44484549 3.62182781 1.88926008 6.47878134 -3.99534616 -4.36329357 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00255775-01 196728493 tox21-ror-cho-viability-p1 set3 4 3.2358580447 -7.1911253599 1.5 -5.6911253599 3.9899729863 0.5345990292 0.149162488 -1.78870392 -2.60234426 4.27119611 6.42746831 -1.38635601 -1.03194485 0.59348847 -1.15303505 6.87635617 4.70119781 -1.54586824 -5.85289944 -4.27073849 -5.55901219 -6.8259378 9.2609999999E-10 2.071E-9 4.6299999999E-9 1.035E-8 2.315E-8 5.1769999999E-8 1.1579999999E-7 2.5879999999E-7 5.788E-7 0.000001294 0.000002894 0.0000064709999999 0.00001447 0.000032359999999 0.00007235 1176-74-5 92873 144212238 A Tetrabromophenolphthalein ethyl ester BrC1=CC(\C=C(Br)C1=O)=C(/c2cc(Br)c(O)c(Br)c2)c3ccccc3C(=O)OCC Tox21_301921 -NCGC00256242-01 196728893 tox21-ror-cho-viability-p1 set3 4 0.8634921799 -3.763637724 3 -0.763637724 4.9549173134 0.332558873 0.3555239116 2.85351157 4.32590439 0.7352319 2.33588173 -0.42315308 6.81820624 0.66476025 8.27372615 1.32324049 -0.1212884 -3.13636477 -0.71850083 -2.00657644 3.02245131 1.433908 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 35543-24-9 6420013 144211752 A A Buflomedil hydrochloride Cl.COc2cc(OC)cc(OC)c2C(=O)CCCN1CCCC1 Tox21_301435 -NCGC00255681-01 196728911 tox21-ror-cho-viability-p1 set3 4 -0.11680098 12.69826841 10.3622872 6.30139728 11.97779455 7.851883 -4.45176708 -0.08581112 2.29073989 11.70191158 -2.4161319 19.36895833 9.6299843 -4.29704355 6.39787628 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5333-42-6 21414 144212611 A Fc 2-Octyl-1-dodecanol CCCCCCCCC(CCCCCCCCCC)CO Tox21_302294 -NCGC00015060-14 196714927 tox21-ror-cho-viability-p1 set2 4 60.5714923824 12.790790432 -6.790790432 6 4.9549173134 0.6707594816 0.0531507475 -6.26579672 -9.4049857 -10.24232536 -8.36575052 -6.75443547 -4.69315822 -4.87618937 -6.77145002 -7.63784195 -7.69032963 -6.35677032 -2.4233482 -10.10767544 -5.19507436 4.53600038 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00254517-01 196714527 tox21-ror-cho-viability-p1 set2 4 17.2289340586 9.8560668039 -0.3560668039 9.5 0.7 0.8522540268 0.0021857926 -2.38005567 -0.3627611 -0.27379497 0.303888 -0.29128937 -0.18053918 0.70966998 0.44831312 0.63690366 1.46399669 0.80479554 3.81263683 6.17721273 3.6272375 8.11391483 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-65-0 7820 144210668 A Ac Dimethyl succinate COC(=O)CCC(=O)OC Tox21_300350 -NCGC00253977-01 196714921 tox21-ror-cho-viability-p1 set2 4 -4.54762189 -7.18504052 2.03701501 -1.5231507 -2.55501088 -3.56875024 -7.37825174 0.49489313 -2.87501195 -5.05591996 -5.86671608 -0.55337176 -2.84799332 -3.33512787 -3.47231147 6.017E-10 1.345E-9 3.0079999999E-9 6.727E-9 1.5039999999E-8 3.363E-8 7.521E-8 1.6819999999E-7 3.76E-7 8.408E-7 0.0000018799999999 0.000004204 0.0000094009999999 0.00002102 0.000047 87-86-5 992 144210343 A A Pentachlorophenol Clc1c(O)c(Cl)c(Cl)c(Cl)c1Cl Tox21_300023 -NCGC00253919-01 196714128 tox21-ror-cho-viability-p1 set2 4 -3.62307527 -2.50234792 -7.02697721 -1.38768853 -5.4659678 -5.36679764 -9.34139195 -9.42228143 -2.07945912 -0.05699465 -5.10161411 -4.10873181 -6.56161425 -3.27205449 2.1613508 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-92-6 264 144210484 A A Butanoic acid CCCC(=O)O Tox21_300164 -NCGC00090773-04 196713719 tox21-ror-cho-viability-p1 set2 4 0.07571531 0.66815064 3.45004209 0.04507255 -0.40601651 1.0853634 1.78782003 -1.42133089 0.70396499 2.34862086 -1.32004846 1.96990181 1.8957329 -0.92551032 -1.04052498 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00091759-02 196713722 tox21-ror-cho-viability-p1 set2 4 13.6854287769 -17.89040528 9 -8.89040528 0.3 0.6578984833 0.0600219632 7.43345503 9.60396564 6.30104666 8.04762487 4.91648562 5.80887163 6.33759642 0.38882683 8.42011206 0.36962899 0.22343688 4.63885348 0.06664201 0.58526957 -5.7420044 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00091439-07 196713724 tox21-ror-cho-viability-p1 set2 4 4.5090745 6.79002168 6.32489365 3.44984379 1.00749496 1.2652689 3.12304736 2.64613322 1.72576371 -0.07855839 3.27899853 1.76988196 0.74592513 3.80407163 6.34251368 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51481-61-9 2756 170464651 I Cimetidine N#C\N=C(/NC)NCCSCc1ncnc1C Tox21_110106_1 -NCGC00090962-05 196714543 tox21-ror-cho-viability-p1 set2 4 0.24863097 -0.63160952 -1.98447639 0.28320797 -0.42281632 0.11524616 1.77379804 -0.12823847 1.87955672 0.51158462 0.11876244 3.84151521 2.25267724 0.13024278 -3.28709751 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00091044-02 196714544 tox21-ror-cho-viability-p1 set2 4 1.73047236 1.88351714 3.93702059 1.00245536 0.36075527 2.29421934 4.21625599 3.83876919 -0.9249173 -0.40295544 0.83047147 1.56632145 5.22941908 0.71218119 0.07305212 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00168342-02 196714550 tox21-ror-cho-viability-p1 set2 4 -0.48455678 -0.77881713 5.11027897 -12.83501029 0.80575028 -3.50309262 -14.8841401 -0.66389317 -2.76610381 -9.97698783 -4.25423683 -3.51854134 -1.56836057 -5.0098227 -2.72190359 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00254003-01 196714950 tox21-ror-cho-viability-p1 set2 4 -4.36595041 -7.21981272 -0.79358643 -5.62727312 -3.79741972 -1.61738424 -5.18890719 -6.83993599 -14.10238127 -1.2038907 -7.39503756 -3.38044574 -1.72275998 -7.12716746 -0.03170541 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-90-0 8146 144210400 A A 2-(2-Ethoxyethoxy)ethanol OCCOCCOCC Tox21_300080 -NCGC00254774-01 196714964 tox21-ror-cho-viability-p1 set2 4 -3.25891922 -4.00165003 -3.67017532 -4.71679189 -3.63912895 3.41775685 -2.62107673 -3.02089355 -3.89919863 3.4279389 -3.76418872 0.52610413 -0.55501511 -0.05593059 2.58765328 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18480-53-0 49837 144211187 Ac 3,4-Dichloro-5-isothiazolecarboxylic acid OC(=O)c1snc(Cl)c1Cl Tox21_300870 -NCGC00257953-01 196715387 tox21-ror-cho-viability-p1 set2 4 0.31497404 -5.72922873 0.29806824 0.27651289 -0.85439064 -1.41496061 0.42321364 1.4592213 -0.45852814 -0.96606864 0.28508145 0.82253095 0.40838568 -0.97485489 0.0066287 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008241 0.000018429999999 0.00004121 0.00009214 106-46-7 4685 144207597 AC A 1,4-Dichlorobenzene Clc1ccc(Cl)cc1 Tox21_200399 -NCGC00254842-01 196714353 tox21-ror-cho-viability-p1 set2 4 -3.68094431 0.26379461 -0.26353297 1.48013876 0.4654559 -6.17120346 -7.84478922 4.03084989 -3.59653965 -3.80439871 -3.06379041 -0.84702921 -4.98441111 -2.29212766 -12.63802934 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23184-66-9 31677 144211257 A A Butachlor ClCC(=O)N(COCCCC)c1c(cccc1CC)CC Tox21_300940 -NCGC00254160-01 196713945 tox21-ror-cho-viability-p1 set2 4 0.05454709 -0.04583273 -0.05297103 0.58781069 0.0685132 1.7670656 0.16414902 0.06336761 0.35871048 -1.40377499 0.06876979 4.6392225 3.10411506 1.02427148 4.19936973 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-42-2 6537 144210640 A Fc Tris(2-ethylhexyl) phosphate CCCCC(COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC)CC Tox21_300321 -NCGC00255029-01 196713954 tox21-ror-cho-viability-p1 set2 -2.4 30.6378586933 -28.53265982 1.5 -27.03265982 0.8999999999 0.9322663849 0.0000434538 0.49293065 1.06894268 2.3861148 3.73436446 3.33752155 0.51454612 0.01807267 0.50149868 -1.56883041 -1.49772729 -3.15234804 -1.93532737 -11.42817294 -11.87938346 -20.86054985 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 175013-18-0 6422843 144211447 A A Pyraclostrobin O=C(OC)N(OC)c3ccccc3COc1ccn(n1)c2ccc(Cl)cc2 Tox21_301130 -NCGC00255087-01 196714349 tox21-ror-cho-viability-p1 set2 4 -1.4985588 -2.3984905 -2.83779542 -4.23274767 -0.44703299 -2.35041467 0.6814673 -0.95655845 0.33803441 0.52343313 -1.96564106 5.11184812 3.5171396 1.31683458 2.91715658 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4812-20-8 20949 144211506 A A 2-Isopropoxyphenol CC(C)Oc1ccccc1O Tox21_301189 -NCGC00253994-01 196713978 tox21-ror-cho-viability-p1 set2 -2.2 48.5577336745 -39.2372597028 -2 -41.2372597028 2.3331733767 0.9315229823 0.0000458676 -1.88833368 0.67329738 -1.27619586 -3.76228353 3.12263927 -2.62022845 -5.39864888 -2.90803672 -2.68545223 -6.71202849 -0.54380924 0.0756575 -5.86903987 -17.54164388 -34.27065129 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-56-3 7340 144210620 A A 2-Amino-5-azotoluene Cc2cc(/N=N/c1ccccc1C)ccc2N Tox21_300300 -NCGC00254744-01 196713961 tox21-ror-cho-viability-p1 set2 -2.1 36.1077035604 -97.8523496068 1.8576869429 -95.9946626639 4.5044702849 0.9950601327 0 2.97451722 2.48306486 1.16531883 -0.84841643 2.85389332 2.70446926 0.13496063 3.04109919 -1.29974316 0.71853417 1.13404491 3.92757835 2.01180512 -10.99533264 -82.49555222 6.913E-10 1.546E-9 3.457E-9 7.729E-9 1.728E-8 3.8649999999E-8 8.6409999999E-8 1.932E-7 4.3209999999E-7 9.661E-7 0.00000216 0.000004831 0.0000108 0.000024149999999 0.000054009999999 71751-41-2 6434889 144211158 A F Abamectin CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]2[C@@H](OC)C[C@@H](O[C@H]2C)O[C@@H]3C(C)=CC[C@@H]6C[C@H](OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OCC(=CC=C[C@@H]3C)[C@@]45O)C[C@@]7(O6)C=C[C@H](C)[C@H](O7)[C@@H](C)CC Tox21_300841 -NCGC00254832-01 196713964 tox21-ror-cho-viability-p1 set2 4 0.0068519876 -4.967008436 2 -2.967008436 4.9549173134 0.3131944612 0.3727716937 2.70204138 0.99751589 0.90973032 -4.52337169 0.01398998 -5.40265453 -1.70574604 -4.63974335 -4.8629261 -7.47250703 -3.6994606 2.68143026 -5.45097324 1.79867318 -8.88317093 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 33089-61-1 36324 144211247 A C Amitraz Cc2ccc(/N=C/N(C)/C=N/c1ccc(C)cc1C)c(C)c2 Tox21_300930 -NCGC00254060-01 196713975 tox21-ror-cho-viability-p1 set2 4 -1.75087571 -0.39597396 1.06673115 -1.10210577 4.67914515 2.32096702 -0.35780682 -1.35068563 2.49818195 0.00962751 3.96406257 0.32031696 3.0903309 -1.68917073 0.70593064 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76-03-9 6421 144210507 Trichloroacetic acid ClC(Cl)(Cl)C(=O)O Tox21_300187 -NCGC00254338-01 196714387 tox21-ror-cho-viability-p1 set2 -2.2 54.4826732819 -59.7479393746 -4.111418069 -63.8593574436 2.2526478767 0.9486838441 0.0000096988 1.59951596 -3.73458888 -7.24470366 -6.41746387 -0.89363869 -6.53739643 -6.85171792 -8.98951748 -2.96557605 -4.94406744 -2.66259465 -0.7324972 -8.80895552 -25.63699217 -49.51466473 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-58-4 2374 144210703 A F 2,5-Di-tert-butylbenzene-1,4-diol CC(C)(C)c1cc(O)c(cc1O)C(C)(C)C Tox21_300385 -NCGC00254359-01 196714392 tox21-ror-cho-viability-p1 set2 -1.2 0.7695882154 -34.916127377 -0.111167783 -35.02729516 2.7202212143 0.9834789526 1.57E-8 3.33981983 -0.41334802 0.28300863 0.60800098 0.44773795 -0.0120554 -4.55561314 -4.65541353 -15.52690912 -32.66314901 -35.7494124 -32.37695884 -36.92339813 -37.771858 -31.51819821 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 64-86-8 6167 144210899 A A Colchicine CC(=O)N[C@H]2CCc3cc(OC)c(OC)c(OC)c3C1=CC=C(OC)C(=O)C=C12 Tox21_300582 -NCGC00254472-01 196714398 tox21-ror-cho-viability-p1 set2 4 0.45775799 1.76855189 0.15742574 2.24971277 1.48272705 0.29670582 4.75825053 -0.09132953 0.47008249 -0.57215461 -0.03748559 6.59515175 3.23048529 3.28268462 4.02173295 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3319-31-1 18725 144210931 AC Fns Tris(2-ethylhexyl) trimellitate CCC(CCCC)COC(=O)c1cc(C(=O)OCC(CC)CCCC)c(cc1)C(=O)OCC(CC)CCCC Tox21_300614 -NCGC00254482-01 196698866 tox21-ror-cho-viability-p1 set1 4 3.55497732 -2.62777748 -3.35289895 -3.28548792 -0.00000697 -2.05357051 -0.49562075 4.82426061 -0.8871458 0.09371789 -0.53310839 5.07174495 -0.76742296 0.97012108 0.38457469 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-87-3 1549026 144210673 A Ac Geranyl acetate C\C(C)=C\CCC(\C)=C\COC(C)=O Tox21_300355 -NCGC00258738-01 196730367 tox21-ror-cho-viability-p1 set3 -2.4 77.8989325373 -27.933791888 0 -27.933791888 4.9549173134 0.7153267042 0.0316710331 8.1074423 1.02489401 3.88969425 1.21550488 -2.59560123 -2.90400745 0.64652359 -4.45613716 -0.27093029 -2.18868747 0.61074411 -3.81301491 -4.26404826 1.29634047 -21.61149324 1.1919999999E-9 2.6659999999E-9 5.962E-9 1.333E-8 2.981E-8 6.6649999999E-8 1.49E-7 3.3329999999E-7 7.452E-7 0.0000016659999999 0.000003726 0.000008332 0.00001863 0.00004166 0.00009315 517-28-2 320930 144208384 A A Hematoxylin Oc2cc3C[C@]4(O)COc1c(O)c(O)ccc1[C@@H]4c3cc2O Tox21_201186 -NCGC00254687-01 196699692 tox21-ror-cho-viability-p1 set1 4 -0.90469838 1.4097742 0.29121488 0.92616574 -2.11156899 3.19782289 -0.76523227 -0.81485121 4.23754248 4.1038957 -1.45533811 2.7008844 1.70307852 -1.20542293 0.24440969 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-40-9 66885 144211100 A A 2,2'-[Benzene-1,3-diylbis(oxy)]diethanol OCCOc1cccc(OCCO)c1 Tox21_300783 -NCGC00091650-03 196698867 tox21-ror-cho-viability-p1 set1 4 -5.12307236 -1.54346624 -4.03061342 -0.92735188 -2.75591669 -5.5297613 -4.46973034 -2.11519935 -0.48541824 0.5849962 -2.29619842 1.77209779 1.30834867 -0.57248997 -5.46994272 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00254052-01 196698870 tox21-ror-cho-viability-p1 set1 4 -0.10414453 -4.52264749 -5.37387201 -5.3992777 0.66034211 -0.30820086 1.34618804 0.43429327 0.86348308 1.38428421 0.93154939 1.29969007 -4.70222379 1.37877332 1.28019123 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 473289-62-2 9824131 144210558 A A Ilepatril CC(C)[C@H](SC(C)=O)C(=O)N[C@H]3Cc1ccccc1[C@H]2CCC[C@@H](C(=O)O)N2C3=O Tox21_300238 -NCGC00253934-01 196699694 tox21-ror-cho-viability-p1 set1 4 1.9331181962 4.6090758239 -2.6090758239 2 4.9549173134 0.4012149455 0.2734936956 -3.33433105 3.81990648 -4.75615086 -0.36331022 0.02358634 -6.22766749 -2.08977744 -3.26296144 -6.34089652 -0.63809422 1.38508132 3.24114954 0.08410227 2.55451094 2.07735709 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-46-7 4685 144210338 AC F 1,4-Dichlorobenzene Clc1ccc(Cl)cc1 Tox21_300018 -NCGC00255983-01 196700106 tox21-ror-cho-viability-p1 set1 4 0.1368542878 4.32315288 -1.82315288 2.5 4.0949729863 0.3686120328 0.3051969055 -0.21025396 1.37619645 -4.3574278 1.05143379 -7.3526274 -0.00316113 0.12900243 3.02430402 0.89734514 4.44892576 1.11603685 -0.54774624 2.20051477 1.61553389 6.00969689 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23947-60-6 32152 144212097 A A Ethirimol CCNc1nc(C)c(CCCC)c(O)n1 Tox21_301780 -NCGC00255962-01 196700108 tox21-ror-cho-viability-p1 set1 4 2.45090524 -1.07531641 -0.09166557 1.80073695 1.28274836 0.68710593 0.95171193 1.02320514 -0.1866947 4.18319787 0.73690628 2.06570102 2.20528071 3.37987761 5.69867418 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2761-24-2 17695 144212187 F F Triethoxypentylsilane CCO[Si](OCC)(OCC)CCCCC Tox21_301870 -NCGC00256083-01 196700119 tox21-ror-cho-viability-p1 set1 4 0.216899429 4.2212600479 -3.2212600479 1 4.9549173134 0.3944723444 0.2800362503 1.02230737 -9.35105004 -4.9361247 -0.23881026 0.2595097 -5.54331033 -3.27584849 1.25350311 -0.5851384 0.99458919 0.57200299 2.75597433 1.23935963 0.21396919 0.49185588 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2057-49-0 74937 144212036 A A 4-(3-Phenylpropyl)pyridine C(CCc1ccncc1)c2ccccc2 Tox21_301719 -NCGC00255384-01 196700534 tox21-ror-cho-viability-p1 set1 -2.4 61.130564862 -34.456957816 0 -34.456957816 4.0449729863 0.902392366 0.0002861943 3.15292285 -1.84563233 -2.09969645 -1.82766597 0.48112789 5.54827158 -0.52254352 2.80214937 0.1074455 1.75154726 0.0358129 -4.94588898 -0.50309928 -5.74575185 -29.13079818 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-93-2 23690438 144211642 Fns Proxan-sodium [Na+].CC(C)OC([S-])=S Tox21_301325 -NCGC00255236-01 196700540 tox21-ror-cho-viability-p1 set1 4 0.98373044 0.29464449 1.71103286 0.21022783 2.28580558 2.86002694 -0.5528641 0.32907265 0.83379594 1.69162406 0.33272764 -0.17881351 0.02509444 -1.0629406 3.37406016 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 165252-70-0 197701 144212759 A A Dinotefuran [O-][N+](=O)/N=C(/NC)NCC1CCOC1 Tox21_302442 -NCGC00255621-01 196700936 tox21-ror-cho-viability-p1 set1 4 1.30329735 0.23939284 1.79989174 1.31073734 -1.01645593 -1.63171648 1.91657093 3.53606229 -6.37079679 -0.15813226 5.84725771 0.63068414 1.9166886 2.39801865 0.79454536 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 84-54-8 6773 144212361 A A 2-Methylanthraquinone Cc2ccc3C(=O)c1ccccc1C(=O)c3c2 Tox21_302044 -NCGC00257619-01 196730575 tox21-ror-cho-viability-p1 set3 4 -4.38696258 3.1829672 1.39303884 -5.89429843 -0.05078707 -0.44855076 -3.0775395 0.42088489 -9.67749141 0 -2.85393523 -1.03223103 -1.593299 -9.53550293 -8.00223991 1.2049999999E-9 2.694E-9 6.024E-9 1.347E-8 3.012E-8 6.7349999999E-8 1.506E-7 3.367E-7 7.5299999999E-7 0.0000016839999999 0.000003765 0.000008418 0.00001882 0.00004209 0.00009412 999-81-5 13836 144207263 A A Chlormequat chloride [Cl-].C[N+](C)(C)CCCl Tox21_200065 -NCGC00258010-01 196730576 tox21-ror-cho-viability-p1 set3 4 -4.05326521 -4.13681143 -4.49382392 0.54326969 -4.37962106 -3.94381725 -7.26164561 1.24791565 0.43271594 7.70217054 -7.74843846 0.54701135 1.9098243 -1.83255303 -2.46138364 1.1839999999E-9 2.647E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.618E-8 1.4799999999E-7 3.309E-7 7.399E-7 0.000001655 0.0000037 0.0000082729999999 0.0000185 0.00004136 0.000092489999999 2425-54-9 17043 144207654 BC Fns 1-Chlorotetradecane CCCCCCCCCCCCCCCl Tox21_200456 -NCGC00091759-02 196717044 tox21-ror-cho-viability-p1 set2 4 2.51196889 0.81436311 2.36867577 4.05780696 -0.45561236 4.63823552 -4.53519387 -0.60767091 4.17152721 4.58319212 2.35313781 3.21982374 0.80510552 1.00059666 -0.15804133 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00257923-01 196716634 tox21-ror-cho-viability-p1 set2 4 61.130564862 -17.441662616 -1.5 -18.941662616 3.5117481694 0.7833436165 0.0112076867 -3.93737479 -1.06580767 -1.52995112 -5.8194981 -2.88692248 0.9758565 -2.528659 -0.4923463 0.81719133 -0.31251455 -1.61740652 1.11337428 0.29700432 -5.43809711 -15.36805218 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-98-3 6828 144207567 A A N,N'-Diethylcarbanilide CCN(C(=O)N(CC)c1ccccc1)c2ccccc2 Tox21_200369 -NCGC00015560-12 196717036 tox21-ror-cho-viability-p1 set2 3 29.8492948118 77.9915722655 -0.8457629919 77.1458092736 4.9549173134 0.9547539282 0.0000048533 -0.03314636 -0.22745423 0.45577207 -8.62146916 -4.79244228 5.33169527 -0.12400885 -4.97418308 -5.44421509 1.05698461 3.56764538 1.59071215 4.77818516 9.74606596 68.90188466 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79944-58-4 54459 170466595 A Idazoxan c1ccc2OC(COc2c1)C3=NCCN3 Tox21_110173_1 -NCGC00253670-01 196717037 tox21-ror-cho-viability-p1 set2 1.1 13.3331902297 102.7605992597 0.4951222002 103.2557214599 2.7202212143 0.9622975396 0.0000017592 -0.89783337 -0.19724056 -0.96325953 -0.49674193 0.94541225 -9.67714285 -6.32761617 -1.32694658 5.86788321 4.92012527 10.64258701 11.35777655 21.35954749 91.94286287 95.6071495 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 96036-03-2 441130 170466350 D Fns Meropenem O[C@H](C)[C@H]3C(=O)N2C(=C(S[C@H]1C[C@H](NC1)C(=O)N(C)C)[C@H](C)[C@@H]23)C(=O)O Tox21_113794 -NCGC00253754-01 196717443 tox21-ror-cho-viability-p1 set2 4 -1.91373124 0.32197399 2.87800589 2.953695 4.65118654 2.38301253 1.79898615 -0.01085794 1.3191546 1.81795714 -0.79708653 0.70448667 -0.24645749 -0.55808871 3.38157498 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64486-18-6 5858790 170466689 A C (2Z)-{2-[(Chloroacetyl)amino]-1,3-thiazol-4-yl}(methoxyimino)acetic acid O=C(Nc1nc(cs1)\C(=N\OC)C(=O)O)CCl Tox21_113869 -NCGC00160402-02 196717446 tox21-ror-cho-viability-p1 set2 4 1.44050931 -1.93595554 -1.46880856 0.32828792 -2.73738777 -1.75528144 1.02178967 -0.15385623 0 0.30247254 -1.63545202 -0.15269685 -1.64247872 -3.14772915 -3.02127891 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 577-91-3 11350 170466600 A Iodoalphionic acid Ic2cc(CC(c1ccccc1)C(=O)O)cc(I)c2O Tox21_111790_1 -NCGC00257973-01 196716228 tox21-ror-cho-viability-p1 set2 -2.1 30.9184864367 -87.9721351682 -2.439440536 -90.4115757042 2.4729283767 0.9897430356 1E-9 -1.00063026 -1.98291582 0.75560565 -1.49134869 -0.93622943 -0.36350033 -1.51691004 -0.5647822 -4.11248426 -7.61449983 -2.82381803 -11.18731736 -20.58809592 -62.66404607 -88.63879971 1.189E-9 2.66E-9 5.9469999999E-9 1.3299999999E-8 2.973E-8 6.649E-8 1.487E-7 3.3239999999E-7 7.4339999999E-7 0.000001662 0.0000037169999999 0.0000083109999999 0.000018579999999 0.00004156 0.00009292 122-19-0 31204 144207617 A A N,N-Dimethyl-N-benzyl-N-octadecylammonium chloride [Cl-].C[N+](C)(Cc1ccccc1)CCCCCCCCCCCCCCCCCC Tox21_200419 -NCGC00258656-01 196715808 tox21-ror-cho-viability-p1 set2 4 1.09679085 3.02332666 2.03724292 0.77439969 3.43290466 3.23078531 1.0671896 1.0559256 5.06257961 0.86911643 0.98125358 3.70861979 2.17937706 0.67041858 0.37093917 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004127 0.00009229 65-86-1 967 144208302 A A Orotic acid OC(=O)c1cc(O)nc(O)n1 Tox21_201104 -NCGC00090721-03 196715815 tox21-ror-cho-viability-p1 set2 4 6.71033825 3.56584631 9.11940889 4.25823611 1.06275038 4.98657526 5.12405208 6.5501526 8.24528372 3.61346599 5.15603875 6.50955183 3.3088708 6.08193783 4.62888054 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00258669-01 196716226 tox21-ror-cho-viability-p1 set2 4 6.49327922 4.22828368 1.31685394 1.14289581 4.8199008 5.09648922 0.92372844 5.21107197 2.5483284 2.08734935 4.28186691 0.2896093 0.3830674 1.4015671 -2.57501592 1.144E-9 2.5579999999E-9 5.72E-9 1.2789999999E-8 2.8599999999E-8 6.395E-8 1.4299999999E-7 3.1979999999E-7 7.1499999999E-7 0.0000015989999999 0.000003575 0.000007994 0.000017879999999 0.00003997 0.000089379999999 1663-39-4 15458 144208315 FNS tert-Butyl acrylate C=CC(=O)OC(C)(C)C Tox21_201117 -NCGC00257573-01 196716637 tox21-ror-cho-viability-p1 set2 4 -2.71113262 3.36036062 -0.46121034 2.45979884 0.17984846 -3.0136862 1.40576246 -0.16425382 2.51951713 2.96318407 3.29989245 -6.7642651 0.29864538 -3.53687222 0.9453025 1.172E-9 2.622E-9 5.862E-9 1.311E-8 2.931E-8 6.554E-8 1.466E-7 3.277E-7 7.328E-7 0.0000016379999999 0.000003664 0.000008192 0.00001832 0.00004096 0.00009159 110-57-6 642197 144207217 A A (2E)-1,4-Dichlorobut-2-ene ClC\C=C\CCl Tox21_200019 -NCGC00257846-01 196716642 tox21-ror-cho-viability-p1 set2 4 23.5221005164 13.578521748 -1.578521748 12 4.9549173134 0.7557586837 0.0236159976 -0.32533862 1.72503376 -5.06543479 0.90896735 -0.84700301 -1.29042137 -1.52660689 -3.04019837 -4.05389219 -1.00059444 -3.49781971 0.40100023 0.70782051 11.07843534 2.31791841 1.1469999999E-9 2.564E-9 5.734E-9 1.282E-8 2.867E-8 6.411E-8 1.434E-7 3.206E-7 7.168E-7 0.000001603 0.000003584 0.0000080139999999 0.00001792 0.00004007 0.0000896 1330-20-7 7929 144207490 FNS Xylenes Cc1cccc(C)c1 Tox21_200292 -NCGC00257898-01 196716659 tox21-ror-cho-viability-p1 set2 -2.2 17.1413664733 -49.2411271341 -1.700603481 -50.9417306151 2.7202212143 0.9812531255 1.268E-7 0.67577376 -2.40878845 -1.96750054 -2.43774052 1.21684495 -2.12609647 -4.1373022 -3.1752054 -1.52831984 -2.65191764 -1.87002602 -4.16623397 -31.53157216 -45.78918986 -26.13920014 1.175E-9 2.628E-9 5.877E-9 1.314E-8 2.9389999999E-8 6.571E-8 1.469E-7 3.285E-7 7.346E-7 0.000001643 0.000003673 0.0000082129999999 0.00001837 0.00004107 0.00009183 6219-89-2 22586 144207542 Fc 4-Amino-4'-hydroxy-3-methyldiphenylamine Oc2ccc(Nc1cc(C)c(N)cc1)cc2 Tox21_200344 -NCGC00253751-01 196717295 tox21-ror-cho-viability-p1 set2 4 1.41441235 0.77915161 0.76261808 5.15528034 5.49028753 4.42705078 5.25006795 2.40243154 1.65139857 0.96179591 0.319633 -3.14733885 -2.84631707 -0.41844556 -0.82847547 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 509-78-4 17036 170466465 A Dimenoxadol CN(C)CCOC(=O)C(OCC)(c1ccccc1)c2ccccc2 Tox21_113866 -NCGC00015116-13 196717293 tox21-ror-cho-viability-p1 set2 4 -3.23242788 -0.48003774 -8.53185226 -8.60209664 -4.35924227 -8.44028699 -5.32043901 2.22785263 -4.80381125 -2.5468148 -1.59540328 0.94003073 -7.30313471 -5.16176763 -4.37411107 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72432-10-1 2196 170465854 A Aniracetam O=C2CCCN2C(=O)c1ccc(OC)cc1 Tox21_110086_1 -NCGC00253749-01 196717301 tox21-ror-cho-viability-p1 set2 4 -0.38189616 -6.79959514 -1.09487306 -3.32706817 -2.67365243 -0.21528448 -4.79311658 -1.40755937 -0.14673366 3.02631304 2.52480242 0.35533156 -2.26202309 -0.01891979 -3.35698568 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 599-88-2 68933 170466624 A A Sulfaperin O=S(=O)(Nc1ncc(C)cn1)c2ccc(N)cc2 Tox21_113864 -NCGC00015053-10 196717307 tox21-ror-cho-viability-p1 set2 4 0.87178009 -8.97738579 -2.07643818 -0.71291136 -1.72428649 -4.19469045 -0.47690377 -4.31341174 -5.28396468 -4.61629086 0.85169212 -2.48966567 -3.22583386 -3.52790103 -4.74551406 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80809-81-0 1967 170466471 A Docebenone O=C1C(C)=C(C)C(=O)C(C)=C1CCCCC#CCCCC#CCO Tox21_110072_1 -NCGC00023016-07 196717724 tox21-ror-cho-viability-p1 set2 4 -1.80566429 1.58234956 1.50421985 -1.60089878 -2.38514649 -1.67443982 -1.40736903 -0.01294923 0.77718506 -1.54966428 -2.88392323 -3.67450264 -3.0930944 1.56457962 3.02066926 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56796-39-5 23666711 170465052 B Cefmetazole sodium [Na+].N#CCSCC(=O)N[C@]3(OC)C(=O)N2C(=C(CSc1nnnn1C)CS[C@@H]23)C([O-])=O Tox21_110788_1 -NCGC00256928-01 196718122 tox21-ror-cho-viability-p1 set2 4 3.23958895 3.62538808 1.50768058 14.84384668 0.59325877 14.93416179 3.42802086 14.1619092 17.32032284 12.26808193 13.39509372 0.76648321 -0.66814839 2.73861615 3.81063332 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 118-58-1 8363 144213363 A A Benzyl salicylate Oc2ccccc2C(=O)OCc1ccccc1 Tox21_303046 -NCGC00256721-01 196718123 tox21-ror-cho-viability-p1 set2 4 13.6854287769 7.7744584999 -2.7744584999 5 1.031 0.4708617159 0.2069197742 0.08039104 -6.67436839 0.52653566 0.52338304 -7.31204875 -5.01283849 -4.49460445 -0.41706913 -4.70052417 -0.57969985 0.15449287 -1.81282143 2.63109251 3.23773301 3.73071788 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3811-04-9 6426889 144212840 Potassium chlorate [K+].[O-]Cl(=O)=O Tox21_302523 -NCGC00249933-01 196717318 tox21-ror-cho-viability-p1 set2 4 6.87592908 -1.73377789 -1.56695713 0.70417123 -0.56741007 -0.33186247 -1.1895713 -0.9036307 -1.43575898 -1.05642775 -0.15536135 -2.07945811 -1.11074649 0.13087141 -0.73583831 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 126-85-2 9335 170465894 F Fns Nitrogen mustard N-oxide [O-][N+](C)(CCCl)CCCl Tox21_113709 -NCGC00159544-03 196716915 tox21-ror-cho-viability-p1 set2 4 11.8832183006 -10.5734329879 -0.5 -11.0734329879 1.98874246 0.722173233 0.0293742878 -2.38754837 1.06930339 -3.03884072 2.22933279 -0.74583663 -1.31794879 -4.08413611 2.13209611 -2.2402497 -0.63301724 1.76548549 -1.64053322 -5.62887057 -7.31193354 -10.89452749 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 109826-26-8 65909 170466388 A Zaldaride maleate O=C2Nc1ccccc1N2C3CCN(CC3)CC5(C)OCc6ccccc6n4cccc45 Tox21_111743_1 -NCGC00167564-03 196717315 tox21-ror-cho-viability-p1 set2 4 0.0211316824 7.5243842519 -7.0243842519 0.5 3.1924983358 0.6175370248 0.0853011771 -5.25147006 -3.31833111 -8.43813888 -12.52032021 -4.04140303 -1.67143149 0.09215277 -1.97042612 -1.20450137 -0.03858853 -0.24504235 -1.13027295 -1.5480048 4.37119932 4.72645298 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10381-75-6 11808 170465479 C 8-Bromotheophylline O=C2c1nc(Br)nc1N(C)C(=O)N2C Tox21_112559_1 -NCGC00247729-01 196717317 tox21-ror-cho-viability-p1 set2 4 -0.6608814 -7.05612878 -3.27329297 -4.38523661 -1.37881484 0.39041672 -2.8971661 -2.67089258 -13.16557432 -3.63512628 -0.15177392 -2.35967176 -8.13324391 -4.81619425 -8.87966251 1.0759999999E-9 2.406E-9 5.38E-9 1.203E-8 2.69E-8 6.015E-8 1.345E-7 3.007E-7 6.724E-7 0.000001504 0.0000033619999999 0.000007518 0.000016809999999 0.00003759 0.00008406 1095-90-5 14184 144206448 A F Methadone hydrochloride Cl.CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2 Tox21_112895 -NCGC00167492-03 196717740 tox21-ror-cho-viability-p1 set2 -2.4 29.8492948118 -29.7722400599 -2 -31.7722400599 4.9549173134 0.9166745997 0.0001282021 -6.81452446 -2.90948473 -1.30697935 -3.37385077 -4.92964722 0.58507786 -2.14084319 -4.02400363 0.81461566 -0.42773928 -1.32370797 -0.71018436 -1.08041 -5.91220492 -28.56020005 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 132866-11-6 157917 170465587 A Lercanidipine hydrochloride Cl.CC=3NC(C)=C(C(C=3C(=O)OC(C)(C)CN(C)CCC(c1ccccc1)c2ccccc2)c4cccc(c4)[N+]([O-])=O)C(=O)OC Tox21_112493_1 -NCGC00015216-17 196717747 tox21-ror-cho-viability-p1 set2 4 -1.19873404 -0.60069764 -0.697048 0.1459318 1.2548277 1.31894891 5.90078586 6.08204298 1.81461224 0.82725114 -0.31740419 0.57690553 1.24773186 1.61190114 5.25852938 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-20-2 2727 170464898 A Chlorpropamide O=S(=O)(NC(=O)NCCC)c1ccc(Cl)cc1 Tox21_110102_1 -NCGC00091380-04 196717750 tox21-ror-cho-viability-p1 set2 4 1.1307614 -0.1502909 -0.03230001 1.34754816 2.11066347 3.14485778 1.28968912 1.93123737 -0.28691496 1.17006998 -0.52907774 -0.39839829 3.00440904 2.86927164 0.3673465 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00257974-01 196702603 tox21-ror-cho-viability-p1 set1 -2.4 73.3728967857 -35.386969512 -2 -37.386969512 4.9549173134 0.8242695252 0.0045806483 2.61553357 3.30054242 -6.98010687 -0.38740901 -5.72660383 -2.9008406 -3.82028078 -4.30930768 1.9027807 0.41454636 -0.2864622 -3.60018998 -5.40500384 -0.87482425 -29.48914126 1.134E-9 2.5349999999E-9 5.669E-9 1.268E-8 2.8339999999E-8 6.338E-8 1.4169999999E-7 3.169E-7 7.086E-7 0.000001584 0.000003543 0.000007922 0.00001772 0.000039609999999 0.00008858 110-71-4 8071 144207618 Ethylene glycol dimethyl ether COCCOC Tox21_200420 -NCGC00257662-01 196702191 tox21-ror-cho-viability-p1 set1 4 -15.03410965 -1.09653175 -6.60609694 -2.03078703 -4.11744101 -0.26055237 -11.6562153 -2.81530168 -3.88956415 -10.26616579 -9.61129832 -12.25493795 -10.79757586 -13.9634188 -5.19073589 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 80-56-8 6654 144207306 FNS alpha-Pinene CC2(C)C1CC=C(C)C2C1 Tox21_200108 -NCGC00257972-01 196702192 tox21-ror-cho-viability-p1 set1 4 0.49292763 0.11781857 -2.9507245 0.54530047 -0.74023073 -1.97055222 -0.57691633 -2.00974282 -1.25397657 -9.39055354 -1.70045944 -5.58788471 -7.56811351 -2.47967818 -0.67261489 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004107 0.00009184 111-92-2 8148 144207616 FC N-Butyl-1-butanamine CCCCNCCCC Tox21_200418 -NCGC00258089-01 196702201 tox21-ror-cho-viability-p1 set1 -1.1 7.672409166 -92.0267491043 3.6075031799 -88.4192459244 1.4163171 0.9812177907 3.3E-8 1.13054891 0.77596338 4.60174362 5.36531343 2.29800018 0.10488248 11.16440118 4.18724059 -0.34137585 -7.66272191 -15.36864912 -52.23886529 -58.4777568 -86.68553522 -85.08274492 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.354E-7 0.0000016439999999 0.0000036769999999 0.0000082219999999 0.000018379999999 0.00004111 0.00009192 115-17-3 8256 144207733 F Tribromoacetaldehyde BrC(Br)(Br)C=O Tox21_200535 -NCGC00091663-03 196699710 tox21-ror-cho-viability-p1 set1 4 4.50573669 5.65883915 1.265482 2.16853696 4.84271466 4.88121984 1.3246902 3.6705812 -1.95482415 5.16821688 5.37587848 1.39950054 5.34718879 0.36703369 0.07507363 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00163903-03 196699301 tox21-ror-cho-viability-p1 set1 4 64.8164987557 11.7226860841 0.7773139159 12.5 3.5117481694 0.4372659612 0.2381721058 -3.51890507 -1.42141231 8.08496046 2.55790072 -1.43530231 -0.19745539 4.69443546 -0.69288336 -0.06444894 -0.73559073 0.45026695 2.69184546 0.013359 3.28664202 10.22118174 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00254637-01 196699311 tox21-ror-cho-viability-p1 set1 4 1.84939122 1.90839184 1.97985182 1.67487599 0.77781967 1.38229122 1.21074779 -1.82157416 6.00420677 -0.5362532 1.55646592 2.41975228 -2.00675697 -1.43491004 2.8273599 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21087-64-9 30479 144211048 A A Metribuzin O=C1C(=NN=C(SC)N1N)C(C)(C)C Tox21_300731 -NCGC00254214-01 196699312 tox21-ror-cho-viability-p1 set1 4 61.130564862 12.7111795839 -0.7111795839 12 2.9522712143 0.7914454822 0.0097574952 -0.87179255 -0.7754146 -1.36348297 -1.67564774 -0.91350417 -1.2019853 -0.61519515 -4.75931632 -1.77978996 0.59899138 0.82265602 0.44415908 0.51224304 2.16789671 8.92775164 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-80-7 7261 144210463 A A 2,4-Diaminotoluene Nc1cc(N)c(C)cc1 Tox21_300143 -NCGC00254163-01 196699711 tox21-ror-cho-viability-p1 set1 4 1.95928805 4.35557372 6.94397526 1.55276158 0.18273768 -0.31392119 2.38902827 -0.10171495 -1.04140343 -1.16459358 1.76095887 0.58712487 1.81729184 5.47389274 6.20095662 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-77-9 7577 144210461 A A 4,4'-Methylenedianiline Nc2ccc(Cc1ccc(N)cc1)cc2 Tox21_300141 -NCGC00255288-01 196700131 tox21-ror-cho-viability-p1 set1 4 -0.83818007 3.14348036 1.45260803 1.70542206 1.4419508 0.08921246 -0.70582691 -0.14413029 1.91702383 5.86141539 -0.43383873 0.70259163 2.13006059 3.62813522 3.59884479 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-40-3 674 144212756 Dimethylamine CNC Tox21_302439 -NCGC00255685-01 196700147 tox21-ror-cho-viability-p1 set1 4 0.12058729 -1.31731951 -4.28032531 -0.43751585 0.16819292 -0.86478888 -0.96390441 -1.4845299 -0.90730438 0.098525 -0.31271691 0.4099355 -0.20045859 1.18079602 4.85236598 1.2359999999E-9 2.765E-9 6.1819999999E-9 1.382E-8 3.091E-8 6.911E-8 1.545E-7 3.456E-7 7.727E-7 0.0000017279999999 0.000003864 0.000008639 0.000019319999999 0.0000432 0.00009659 7080-50-4 517414 144212753 C Chloramine-T trihydrate [Na+].O.O.O.Cc1ccc(cc1)S(=O)(=O)[N-]Cl Tox21_302436 -NCGC00255692-01 196700151 tox21-ror-cho-viability-p1 set1 4 -1.48948823 1.00791805 0.55054008 -3.56049965 1.50298608 -4.68992752 -3.43790171 -0.61903968 -0.46403911 -0.36770242 -3.91406024 -1.0798792 1.36730599 -5.09459871 -5.40983688 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3337-62-0 76857 144212273 A A 3,5-Dibromo-4-hydroxybenzoic acid Brc1cc(cc(Br)c1O)C(=O)O Tox21_301956 -NCGC00255776-01 196700544 tox21-ror-cho-viability-p1 set1 -1.1 10.8707224818 -87.0628829573 -9.649351467 -96.7122344243 1.8851180601 0.9425856836 0.0000178083 -16.42750648 -5.14441702 -4.04266704 -10.10045008 2.78010922 -17.44754283 -12.79738264 -17.07371449 -8.83722632 -18.24312541 -18.04934379 -30.25654048 -87.45334886 -93.71340545 -86.48349363 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5137-55-3 21218 144212515 D Methyltrioctylammonium chloride [Cl-].CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC Tox21_302198 -NCGC00260170-01 196724748 tox21-ror-cho-viability-p1 set3 4 -1.41355074 -5.18346358 -5.90357823 -4.11991505 -4.4896854 -1.8077258 -4.85536146 2.02166102 -0.22200477 1.9639995 -3.32513807 -5.01479309 -0.5641446 0.91774275 -1.08926119 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3069999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.000008269 0.000018489999999 0.00004134 0.00009245 188589-32-4 22078297 144209820 A A 1-Decyl-3-methylimidazolium bromide [Br-].C[n+]1ccn(CCCCCCCCCC)c1 Tox21_202622 -NCGC00091902-08 196724338 tox21-ror-cho-viability-p1 set3 4 -3.6563752 0.34602765 -0.84651062 -6.08854745 -2.56496101 0.09020036 5.43158697 -2.85544076 0.38288759 -2.66160678 -0.59806606 -4.03532554 -0.86300695 -3.29729866 -1.77118978 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00357214-01 196724350 tox21-ror-cho-viability-p1 set3 4 -4.37364095 -1.85158544 -0.653246 -0.76287526 5.49076968 0.73482153 4.41566646 4.22498521 4.53818806 6.80401056 8.26426901 -1.49648819 -4.42755486 -2.91529018 7.4173835 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-90-8 5355853 251919844 A Geranyl propionate C\C(C)=C\CCC(\C)=C\COC(=O)CC Tox21_303994 -NCGC00260192-01 196724746 tox21-ror-cho-viability-p1 set3 4 0.001728151 12.079686324 -10.579686324 1.5 4.9549173134 0.6565082146 0.061367439 -8.81640527 0.02728508 4.66026478 3.55788037 3.29637932 1.584995 2.01542098 -0.44231677 -0.69207575 3.397534 0.08026723 0.58141287 -0.50820312 -1.90833102 3.30429819 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3079999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.000008269 0.000018489999999 0.00004135 0.00009245 143314-16-3 2769348 144209842 A A 1-Ethyl-3-methylimidazolium tetrafluoroborate F[B-](F)(F)F.C[n+]1ccn(CC)c1 Tox21_202644 -NCGC00260642-01 196724752 tox21-ror-cho-viability-p1 set3 4 0.16785492 5.315322976 -2.815322976 2.5 2.4063783767 0.3575089683 0.3139349774 -1.08771405 -2.51577831 5.56146941 -2.62658767 -6.29759146 -11.09610248 -1.07373701 0.56081862 1.09858881 0.80969089 6.00817044 3.61462931 1.95440305 1.65235629 2.21008846 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49538 144210295 M M NTP Mix83 ER AR1 18-EQC Tox21_203097 -NCGC00260212-01 196724423 tox21-ror-cho-viability-p1 set3 4 -4.35086855 6.87938509 2.33820841 3.30048148 1.81260321 -4.8041254 6.66829348 -2.5449833 3.12053521 0.979725 -3.82572653 -1.95417823 -0.27245724 -3.13676116 7.70200295 1.193E-9 2.667E-9 5.964E-9 1.3339999999E-8 2.982E-8 6.668E-8 1.491E-7 3.3339999999E-7 7.455E-7 0.0000016669999999 0.0000037269999999 0.000008335 0.00001864 0.00004167 0.00009318 94280-72-5 19838382 144209862 A A 1-Butyl-1-methylpiperidinium bromide [Br-].C[N+]1(CCCC)CCCCC1 Tox21_202664 -NCGC00259956-01 196724428 tox21-ror-cho-viability-p1 set3 4 21.5136022056 -11.8400859839 0.5 -11.3400859839 3.2974983358 0.659511815 0.058902636 -2.49751284 2.08835319 3.075127 -2.19013754 -0.3185409 -2.01287749 -4.46763814 1.79998046 3.64667683 1.578338 3.22930978 4.89961943 -5.65680889 -7.03715742 -13.61673832 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.551E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.000003662 0.0000081889999999 0.00001831 0.00004095 0.00009156 56-53-1 448537 144209605 A A Diethylstilbestrol Oc1ccc(cc1)C(\CC)=C(/CC)c2ccc(O)cc2 Tox21_202407 -NCGC00167963-03 196717889 tox21-ror-cho-viability-p1 set2 4 0.0473079441 7.26684574 -6.26684574 1 1.692447691 0.3760691896 0.3116941494 0.20956058 -5.96461823 -4.9988084 -17.72237145 -0.81673515 -3.07042538 -3.06604033 0.22080961 2.35521804 0.88180256 2.73685387 2.50924482 0.84393346 -2.92626327 -2.88328795 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3810-80-8 6432394 170465332 A Diphenoxylate hydrochloride Cl.O=C(OCC)C3(CCN(CCC(C#N)(c1ccccc1)c2ccccc2)CC3)c4ccccc4 Tox21_112593_1 -NCGC00254195-01 196719570 tox21-ror-cho-viability-p1 set3 4 1.94404859 0.51717027 0.10665004 0.90674511 4.91391246 -6.32015281 1.69547974 2.05684599 13.02395102 2.30107713 4.82302888 -1.39693447 7.4197063 0.04524048 -0.02879567 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1068967-96-3 25099474 144210580 A A SAR102608 Cc1nc(ncc1C(=O)Nn3cc(C)c2cc(F)ccc23)c4ccccn4 Tox21_300260 -NCGC00253936-01 196719572 tox21-ror-cho-viability-p1 set3 4 0.0038570779 14.824192636 -14.824192636 0 0.8999999999 0.6917564742 0.0422704348 -10.82807863 -11.52016053 -1.90743184 -2.25836577 -4.91542228 -5.04057784 1.33628347 0.77429074 1.37582233 0.75410603 -4.02473165 -0.67941561 1.85305608 0.06325168 1.37886099 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1836-75-5 15787 144210596 A A Nitrofen Clc2cc(Cl)ccc2Oc1ccc(cc1)[N+]([O-])=O Tox21_300276 -NCGC00167465-02 196717902 tox21-ror-cho-viability-p1 set2 4 29.8492948118 -17.199820784 2 -15.199820784 4.0949729863 0.6712118383 0.0525460616 -0.13609611 -0.54347525 3.86210388 1.86168702 2.59199244 4.23661516 8.09925431 6.01171895 -0.0815948 -0.04069707 1.08008393 -1.33447594 -0.58336441 -1.17010553 -12.66651732 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112965-21-6 5288783 170464710 F Calcipotriene C=C1C(/C[C@@H](O)C[C@@H]1O)=C\C=C2/CCC[C@]3(C)[C@H](CC[C@@H]23)[C@H](C)/C=C/[C@@H](O)C4CC4 Tox21_112469_1 -NCGC00164588-02 196717890 tox21-ror-cho-viability-p1 set2 4 -9.6195528 -4.15910824 -10.8695613 -5.78403066 -0.16415953 -6.04717808 -2.36949517 -0.03672484 -0.25632856 -4.37409177 -4.47005567 -3.23332345 -6.84497612 -6.32480221 -23.92793017 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59937-28-9 4006 170465879 Ac Malotilate CC(C)OC(=O)C(/C(=O)OC(C)C)=C1/SC=CS1 Tox21_112214_1 -NCGC00090885-03 196717898 tox21-ror-cho-viability-p1 set2 4 61.130564862 -19.015353984 3 -16.015353984 3.2974983358 0.72065634 0.0297393782 1.54090854 -0.33032348 2.01180029 5.80636198 4.99763377 6.27530239 7.39476602 6.2107723 0.09610114 0.13710972 1.92462236 1.63600598 2.23841379 -0.82651393 -12.09612832 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00256539-01 196718309 tox21-ror-cho-viability-p1 set2 4 0.216899429 4.636799472 0.863200528 5.5 4.9549173134 0.4816615659 0.1973976109 0.03480461 0.97580588 2.1392044 0.23879039 0.09619905 2.69578903 -0.11399956 7.3417062 5.28664586 3.78852408 10.42339514 7.13062876 4.31171024 -0.1013734 4.67634433 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-22-6 5753 144213947 A A Corticosterone OCC(=O)[C@H]4CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_303642 -NCGC00256562-01 196718322 tox21-ror-cho-viability-p1 set2 4 -3.89616153 1.11691418 -4.78855332 -3.76036399 -0.6297646 -4.36921289 2.09322829 1.10606347 -0.06720529 -1.23447787 -0.88928478 -3.02262801 -0.69600094 -2.50064314 -1.8092201 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 512-56-1 10541 144213057 A Ac Trimethyl phosphate O=P(OC)(OC)OC Tox21_302740 -NCGC00257501-01 196718718 tox21-ror-cho-viability-p1 set2 4 0.60488465 0.48899205 -3.13505204 -1.06647194 -0.09977635 2.3586841 8.24007036 -0.22200048 -2.29148532 1.97446551 -2.06949703 -2.85069943 1.41375117 -0.05132635 -3.01030828 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_48514 60196438 144213716 F F PharmaGSID_48514 [Na+].O=C([N-]S(=O)(=O)/C=C/c1ccc(OC)cc1)c2ccc(C)cc2Cl Tox21_303405 -NCGC00256786-01 196718730 tox21-ror-cho-viability-p1 set2 4 3.07130056 0.19417591 0.53595044 1.11158662 2.41406484 -0.62043646 2.81792308 7.0598306 0.31214974 3.61157492 0.14094875 6.29135734 3.28119224 -0.6633605 0.66025013 1.227E-9 2.743E-9 6.134E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 765-70-8 61209 144212946 A A 3-Methyl-1,2-cyclopentanedione O=C1C(=O)CCC1C Tox21_302629 -NCGC00160537-04 196719136 tox21-ror-cho-viability-p1 set2 4 -10.31036172 -9.29453824 -15.40377857 -11.23193265 -17.36596106 -20.67209695 -15.14980664 -12.66105321 -17.00389795 -12.43520881 -10.01440171 -9.52234633 -13.0422436 -10.51127736 -10.8970659 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00256526-01 196719137 tox21-ror-cho-viability-p1 set2 4 -1.07170673 -0.39253704 0.95162092 0.13147073 1.6031232 2.95922808 1.28683243 3.8415493 0.35967846 0.26527823 -0.16919075 6.84937336 1.03685482 0.67574842 3.39532686 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 529-20-4 10722 144213329 Z C 2-Tolualdehyde Cc1ccccc1C=O Tox21_303012 -NCGC00256766-01 196719139 tox21-ror-cho-viability-p1 set2 4 -1.99167492 -1.79048966 -2.03722946 0.41609621 3.49107662 2.53513569 2.67271572 -0.0605132 2.21909076 0.70360741 1.09427844 5.46225789 6.02537826 6.71519585 2.41347793 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10032-15-2 24838 144212916 A D Hexyl 2-methylbutanoate O=C(OCCCCCC)C(C)CC Tox21_302599 -NCGC00256374-01 196718988 tox21-ror-cho-viability-p1 set2 4 -1.45244819 -0.1088601 -2.06643606 2.16375698 -3.18403642 -4.59744108 -7.39521949 -3.64288197 -4.99779658 -0.93096503 -2.63897429 2.17739952 1.72203441 0.51501275 -3.5232985 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 59-66-5 1986 144213090 A A Acetazolamide O=S(N)(=O)c1nnc(NC(C)=O)s1 Tox21_302773 -NCGC00091261-03 196718577 tox21-ror-cho-viability-p1 set2 4 67.892692775 -21.659254204 0.5 -21.159254204 4.9549173134 0.9505596281 0.0000080389 0.61245067 0.49736833 1.21359504 -1.23824507 1.08344223 0.27407504 -0.5630867 -0.55208982 1.08302375 -0.63703073 0.94714154 0.41736213 1.10800898 1.40774635 -17.21604517 1.1699999999E-9 2.6159999999E-9 5.849E-9 1.3079999999E-8 2.9239999999E-8 6.539E-8 1.462E-7 3.27E-7 7.311E-7 0.000001635 0.0000036549999999 0.0000081739999999 0.00001828 0.000040869999999 0.000091389999999 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00256603-01 196718582 tox21-ror-cho-viability-p1 set2 4 -0.40264897 -0.72323551 -0.6086957 -1.20653398 -1.05389562 6.74167806 -0.76246101 1.80246629 0.115528 -1.00144535 -1.10030856 -0.37190691 0.66772769 1.85405129 -0.08574182 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 79-24-3 6587 144213140 FNS Nitroethane [O-][N+](=O)CC Tox21_302823 -NCGC00257186-01 196718977 tox21-ror-cho-viability-p1 set2 -1.1 19.3311819617 -65.8236545829 0.9554536729 -64.86820091 2.2481167061 0.9978590127 0 0.5017266 0.03155959 -0.32260628 2.24596779 2.40318177 0.2176393 0.59386906 2.35290008 0.94433442 0.52017206 -2.53628103 -6.71971325 -29.87714827 -55.35263146 -63.0422815 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-10-5 14868 144213540 A A Tribromsalan Oc1c(cc(Br)cc1Br)C(=O)Nc2ccc(Br)cc2 Tox21_303223 -NCGC00256862-01 196718994 tox21-ror-cho-viability-p1 set2 4 0.7750307 0.75983967 1.32247022 1.32733025 3.22978823 6.11541966 2.17469852 5.01122105 3.2156601 4.74021812 4.53567097 0.05236288 2.08954355 1.31683823 2.880672 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-53-7 7659 144212950 A A 2-Phenylethyl 3-phenylprop-2-enoate O=C(OCCc1ccccc1)C=Cc2ccccc2 Tox21_302633 -NCGC00256967-01 196719423 tox21-ror-cho-viability-p1 set2 4 -2.38433832 -1.63216202 -6.33025992 -5.77130928 -0.75478676 0.32303126 3.00956224 -5.55032229 -4.48031352 0.5596648 1.09457514 0.90655129 1.13496244 1.9290086 -1.12525843 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 311-45-5 9395 144213364 A A Paraoxon [O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1 Tox21_303047 -NCGC00256612-01 196719428 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -11.650375848 0 -11.650375848 4.9549173134 0.9109373396 0.0001893851 -0.66746159 -0.59927132 -1.48083942 -0.65048174 0.70250188 -1.37922158 0.43942294 0.29556509 0.60353737 -0.39452 0.46135375 0.23510955 -0.96160213 -0.33661475 -9.70864654 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 118-55-8 8361 144213266 A A Phenyl salicylate Oc2ccccc2C(=O)Oc1ccccc1 Tox21_302949 -NCGC00163724-03 196719436 tox21-ror-cho-viability-p1 set2 4 -12.35308603 -9.99498837 -7.35379951 -15.66381108 -7.5039651 -7.17827426 -8.31839461 -0.875757 1.33250651 -6.16295575 -0.12912747 -0.44407348 -14.52208747 -21.41112726 -26.37453255 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00163774-04 196719439 tox21-ror-cho-viability-p1 set2 4 50.2911461578 -15.925726908 7 -8.925726908 1.98874246 0.4400200989 0.2341966916 1.01956166 7.03922527 1.7278961 8.48264098 1.55328853 10.02843501 9.46772514 13.41116525 9.28480188 8.93421287 11.32670525 0.29340216 6.51165094 0.92722186 -5.77143909 1.2149999999E-9 2.7169999999E-9 6.075E-9 1.358E-8 3.038E-8 6.7919999999E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00256907-01 196719440 tox21-ror-cho-viability-p1 set2 4 -0.53355986 0.98171627 -2.63933844 0.44253829 -0.65181033 -2.04134873 1.43972441 0.64761345 0.5573232 -2.27838984 -1.2172679 -1.15705893 -1.2751417 -2.16226207 0.78186349 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2338-76-3 75360 144213031 A A [3-(Trifluoromethyl)phenyl]acetonitrile FC(F)(F)c1cccc(CC#N)c1 Tox21_302714 -NCGC00256339-01 196719444 tox21-ror-cho-viability-p1 set2 -2.4 5.4482673282 -21.032968104 -2 -23.032968104 4.9549173134 0.8993383409 0.0003332994 -5.02346811 -2.05000982 -3.01608127 -2.58291234 -4.37415231 -0.41527163 -0.09860403 -2.66943478 -1.64973291 -2.48512648 0.23058249 -28.77747342 -23.3408071 -19.82417432 -19.65242254 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 20624-25-3 517546 144213129 F Sodium diethyldithiocarbamate trihydrate O.[Na+].O.O.CCN(CC)C([S-])=S Tox21_302812 -NCGC00091009-05 196716521 tox21-ror-cho-viability-p1 set2 -2.4 27.5185618656 -24.122988476 1.5 -22.622988476 2.3031167061 0.9639384537 0.0000013806 -0.66396846 2.03790865 3.28861488 1.99900486 1.89745171 0.58107027 1.25290239 3.41058687 3.94249787 -0.65173064 1.12888948 0.75948682 -5.64683503 -14.4209001 -22.18582373 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00258434-01 196701803 tox21-ror-cho-viability-p1 set1 4 58.2204947775 11.820494472 -0.820494472 11 3.6772481694 0.8280704572 0.004308916 -1.73595663 -0.87418747 -2.3069097 -0.52857666 -1.78497464 -1.53473792 -1.77254167 -1.57662554 -0.38233262 -2.35041206 0.07333259 0.55921726 2.08877665 1.09258222 8.83616257 1.133E-9 2.533E-9 5.6639999999E-9 1.2659999999E-8 2.832E-8 6.332E-8 1.416E-7 3.1659999999E-7 7.0799999999E-7 0.000001583 0.00000354 0.000007915 0.0000177 0.00003958 0.0000885 504-29-0 10439 144208078 A A 2-Aminopyridine Nc1ccccn1 Tox21_200880 -NCGC00257963-01 196701790 tox21-ror-cho-viability-p1 set1 4 -2.74045402 -1.98166348 2.31031684 -0.19873214 -3.02149807 0.97289249 0.80308615 -7.70324004 -1.47296191 0.44691809 -1.69805184 -10.65835767 -9.35681685 -1.95726972 -5.43516618 1.196E-9 2.674E-9 5.9789999999E-9 1.337E-8 2.989E-8 6.684E-8 1.4949999999E-7 3.3419999999E-7 7.4729999999E-7 0.000001671 0.000003737 0.000008355 0.000018679999999 0.000041779999999 0.000093409999999 121-91-5 8496 144207607 A A 1,3-Benzenedicarboxylic acid OC(=O)c1cccc(c1)C(=O)O Tox21_200409 -NCGC00257706-01 196701800 tox21-ror-cho-viability-p1 set1 4 0.2741713326 -4.989212944 3 -1.989212944 4.9549173134 0.3458039921 0.3412010164 2.55722658 -2.74768984 -0.60292055 9.11678501 2.00384725 1.1085265 9.65714504 -2.13684969 -0.56700644 -0.69187767 -1.2306526 -4.57434412 -1.61305073 -2.22292059 0.18447812 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 105-36-2 7748 144207350 FNS Ethyl bromoacetate BrCC(=O)OCC Tox21_200152 -NCGC00258244-01 196701810 tox21-ror-cho-viability-p1 set1 4 -6.99886269 -10.4636469 -9.88118882 -4.01658039 -12.48712208 -6.36820792 -9.52389722 -10.17333559 -13.05665593 -12.57637039 -11.56876152 -5.85986891 -14.1778891 -8.36980951 -11.95175844 1.188E-9 2.657E-9 5.941E-9 1.3279999999E-8 2.9699999999E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016609999999 0.000003713 0.000008303 0.00001856 0.000041509999999 0.00009282 638-29-9 61186 144207888 D Valeryl chloride CCCCC(Cl)=O Tox21_200690 -NCGC00258304-01 196701812 tox21-ror-cho-viability-p1 set1 -1.1 9.6589908687 -90.0349893785 -1.067444358 -91.1024337365 2.4063783767 0.95751776 0.0000034212 -6.70418483 -5.40881951 -0.30756329 -1.39251938 0.96848136 1.10427671 3.65178324 1.05926802 -6.71821453 1.06846704 -15.89561377 -21.7621076 -92.02266034 -87.04834744 -84.39093286 1.177E-9 2.6319999999E-9 5.8849999999E-9 1.316E-8 2.942E-8 6.579E-8 1.471E-7 3.29E-7 7.356E-7 0.000001645 0.0000036779999999 0.000008224 0.00001839 0.000041119999999 0.00009195 374683-44-0 16212610 144207948 A A Trihexyltetradecylphosphonium hexafluorophosphate F[P-](F)(F)(F)(F)F.CCCCCC[P+](CCCCCCCCCCCCCC)(CCCCCC)CCCCCC Tox21_200750 -NCGC00257837-01 196702223 tox21-ror-cho-viability-p1 set1 4 47.7687169443 13.9812277999 -3.9812277999 10 0.3 0.4240108757 0.2510604946 -7.4843565 -3.10878622 0.73374033 -2.03638453 -2.21409476 -2.41299599 -1.6404549 -0.24842468 -1.9442409 -2.31994472 -1.50726905 6.59959099 0.92659771 -1.789063 6.77084311 1.164E-9 2.603E-9 5.821E-9 1.302E-8 2.91E-8 6.508E-8 1.4549999999E-7 3.254E-7 7.276E-7 0.0000016269999999 0.0000036379999999 0.000008135 0.00001819 0.00004067 0.00009095 1116-54-7 14223 144207481 A A N-Nitrosodiethanolamine OCCN(N=O)CCO Tox21_200283 -NCGC00258060-01 196702629 tox21-ror-cho-viability-p1 set1 -3 69.3576091162 -81.2444272259 -4.358139628 -85.6025668539 4.9549173134 0.8997867025 0.0003250992 -2.37627615 -6.17732 -3.02892407 -0.07379766 -4.77384811 -0.68189276 -1.77943265 -0.29919825 -2.04757135 2.86507338 -9.5940509 -12.02244963 -19.38576394 -5.68396328 -70.7163229 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.976E-8 6.655E-8 1.4879999999E-7 3.3279999999E-7 7.441E-7 0.0000016639999999 0.00000372 0.000008319 0.0000186 0.00004159 0.00009301 95-71-6 7253 144207704 A A Methylhydroquinone Oc1ccc(O)c(C)c1 Tox21_200506 -NCGC00258680-01 196702633 tox21-ror-cho-viability-p1 set1 4 -0.81415049 0.7910538 2.01129765 7.9517304 -0.39557231 7.51997353 0.05026172 4.04622659 4.72951363 -1.34956479 4.41491699 0.53158963 5.15329458 1.11476754 0.91448179 1.212E-9 2.709E-9 6.0579999999E-9 1.3549999999E-8 3.029E-8 6.773E-8 1.515E-7 3.387E-7 7.5729999999E-7 0.000001693 0.000003786 0.000008467 0.00001893 0.000042329999999 0.000094659999999 103-72-0 7673 144208326 D Phenyl isothiocyanate S=C=N/c1ccccc1 Tox21_201128 -NCGC00091426-02 196702646 tox21-ror-cho-viability-p1 set1 4 0.29609363 1.49666058 0.78647882 4.55776563 -5.88660725 -0.15728322 -0.13996125 0.53059778 7.11656022 0.85626665 0.03645349 4.66056076 0.47555286 1.27211255 2.80981818 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00258572-01 196701841 tox21-ror-cho-viability-p1 set1 4 -3.9017405 -3.82306126 0.13085557 1.58270745 -4.05127575 -9.68242108 0.27892895 -2.09911157 -9.22303725 -2.44399809 4.99097438 -2.99044959 -9.13100241 2.10466327 -1.49659171 1.156E-9 2.5839999999E-9 5.778E-9 1.292E-8 2.889E-8 6.46E-8 1.444E-7 3.23E-7 7.2219999999E-7 0.000001615 0.000003611 0.000008075 0.000018059999999 0.000040369999999 0.00009028 628-02-4 12332 144208217 A A Hexanamide CCCCCC(N)=O Tox21_201019 -NCGC00255284-01 196701410 tox21-ror-cho-viability-p1 set1 4 0.42299741 1.11826659 -1.44354042 1.41571292 -2.44472406 -1.93251335 0.74719837 0.83761407 4.21972024 2.42757552 2.25206293 2.28739845 -0.95701477 -0.61482345 -1.0122473 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84-72-0 6785 144211805 A A Ethyl phthalyl ethyl glycolate O=C(OCC)c1ccccc1C(=O)OCC(=O)OCC Tox21_301488 -NCGC00255855-01 196701417 tox21-ror-cho-viability-p1 set1 4 2.01408747 1.51152034 1.57617536 0 4.27220843 4.2303319 0.36941082 -1.58741229 -1.26788351 -0.98058775 3.62214291 0.83218932 2.33935724 -1.75791612 0.24644555 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1187-03-7 14465 144211815 A A Tetraethylurea CCN(CC)C(=O)N(CC)CC Tox21_301498 -NCGC00255663-01 196701420 tox21-ror-cho-viability-p1 set1 4 0.0013685429 9.9553551559 -7.4553551559 2.5 4.9549173134 0.3874689911 0.286906329 -5.37946263 4.8405922 3.71166851 1.06761835 -0.28809756 2.74336224 4.07306643 0.33384081 2.90107621 0.38629649 9.6199566 0.93875257 0.29193325 2.91340086 3.52428498 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6164-98-3 22544 144211893 A A Chlordimeform Clc1cc(C)c(/N=C/N(C)C)cc1 Tox21_301576 -NCGC00161831-04 196725660 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -109.7783780522 4.2722354576 -105.5061425946 4.9549173134 0.9303420395 0.0000500143 1.1755396 1.73091406 1.68630085 3.65529302 -0.05092812 4.5183301 2.43659012 -2.97154049 1.04500509 10.66212404 10.65140893 8.31614928 -1.04950213 14.25663855 -92.54924789 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51773-92-3 65329 170465100 A Mefloquine hydrochloride Cl.O[C@@H](c2cc(nc1c2cccc1C(F)(F)F)C(F)(F)F)[C@H]3CCCCN3 Tox21_111999_1 -NCGC00260643-01 196724844 tox21-ror-cho-viability-p1 set3 4 0.0530803864 4.563667712 -1.563667712 3 3.9294729863 0.3430347073 0.3287915071 -1.11863094 -0.1200454 2.19601802 -3.1278913 -5.88638976 -1.5039458 2.60465256 2.8066103 3.33882581 5.99957185 -5.14717148 3.6453982 2.34684456 2.390838 6.44535029 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49539 144210296 M M NTP Mix84 ER AR1 18-EQC Tox21_203098 -NCGC00260460-01 196724848 tox21-ror-cho-viability-p1 set3 4 -4.49749867 -4.30089408 -6.17151578 -6.26979878 -5.40026491 -5.27033453 -0.68994476 0.71828462 0.84493456 0.93727359 0.00379187 2.10820146 -1.81891389 1.04270216 -0.81283716 1.224E-9 2.736E-9 6.118E-9 1.3679999999E-8 3.059E-8 6.84E-8 1.529E-7 3.42E-7 7.647E-7 0.00000171 0.0000038239999999 0.00000855 0.00001912 0.000042749999999 0.00009559 333-27-7 9526 144210112 C Methyl trifluoromethanesulfonate FC(F)(F)S(=O)(=O)OC Tox21_202914 -NCGC00091088-05 196725259 tox21-ror-cho-viability-p1 set3 4 0.1535530364 7 3 10 4.9549173134 0.6151686757 0.100308111 1.15626017 1.27314676 3.36797633 7.96818536 2.86949513 1.43425788 5.33645337 14.34239202 12.66113983 12.06138076 6.7203049 5.55827139 8.04098735 11.64867447 6.05475092 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00091643-08 196725673 tox21-ror-cho-viability-p1 set3 -2.1 30.6378586933 -65.2116532267 2.3633400619 -62.8483131648 1.6258976909 0.9224312216 0.0000879419 1.95541638 -0.71744588 -1.79582808 5.43840728 1.16095682 3.68100503 5.9516394 7.26620588 6.964075 0 -3.9375586 -2.63936349 -23.8474078 -27.94956108 -65.46699288 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00091602-02 196725678 tox21-ror-cho-viability-p1 set3 4 76.0206207091 -11.258658204 4 -7.258658204 4.9549173134 0.3576507577 0.3150586765 1.43473256 2.82247863 1.99763492 1.45836102 2.0767422 4.15586065 9.34078521 7.10353652 6.3997924 7.28067515 5.30405001 -0.12577207 -0.04636345 4.43618909 -4.38221517 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00017331-08 196726074 tox21-ror-cho-viability-p1 set3 4 2.6603212004 22 2 24 0.3 0.478832726 0.1976795512 6.97933425 0.66080425 13.67575002 11.23898683 0.61134975 6.27931319 6.17343088 4.67014681 7.29558681 15.14310192 4.62921544 15.39505523 17.20479198 18.74580533 18.59730597 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 490-46-0 72276 170465932 A (-)-Epicatechin Oc1ccc(cc1O)[C@H]2Oc3cc(O)cc(O)c3C[C@H]2O Tox21_110101_1 -NCGC00163597-04 196726082 tox21-ror-cho-viability-p1 set3 4 -12.14225271 0 -3.5416961 -1.74512148 -3.88734869 -2.82395005 -4.1732583 -0.36527359 -6.34380073 -10.81788128 -2.85294365 0.49115272 -3.96839822 -1.78970324 -3.65021583 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 35891-70-4 6438394 170466855 Ac Myriocin O[C@@H]([C@H](O)C\C=C\CCCCCCC(=O)CCCCCC)[C@@](N)(CO)C(=O)O Tox21_112062_1 -NCGC00164486-04 196726088 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -63.1121815298 -2.314380376 -65.4265619058 4.9549173134 0.8750785802 0.0009556713 5.75208279 -2.53387514 -2.060973 -6.47905164 -2.07259787 -8.89554123 -0.83775264 -7.48660387 -11.21110666 4.20337027 3.83475186 -7.96993058 4.3131998 -6.91314542 -57.39172097 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 579-23-7 11366 170466597 A Cyclovalone Oc1ccc(cc1OC)C=C3CCCC(=Cc2cc(OC)c(O)cc2)C3=O Tox21_112126_1 -NCGC00090987-03 196726089 tox21-ror-cho-viability-p1 set3 4 61.130564862 -27.996559284 5 -22.996559284 3.2974983358 0.5452788339 0.1392395516 -1.84460377 -1.56720344 1.04409697 3.97365877 1.67416713 4.25319664 3.6368785 13.14825152 9.68234704 17.08458433 8.0334851 5.88901402 -0.91442132 -0.72577533 -17.08046607 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00271789-02 196725759 tox21-ror-cho-viability-p1 set3 -1.1 0.0668242473 -85.3582158921 4.835296216 -80.5229196761 2.7202212143 0.9915898863 3E-10 6.00333036 0.47038694 -0.08789066 -0.43609793 10.81783035 0.69254423 -45.9869369 -71.25593059 -78.27818066 -82.18662941 -81.41894892 -80.03016617 -81.68547616 -82.47624533 -78.71674133 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-76-0 457193 170464668 A Actinomycin D CC(C)[C@H]6NC(=O)[C@@H](NC(=O)c1ccc(C)c2OC3=C(C)C(=O)C(N)=C(C3=Nc12)C(=O)N[C@@H]5C(=O)N[C@@H](C(=O)N4CCC[C@H]4C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]5C)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]7CCCN7C6=O Tox21_111997_1 -NCGC00253619-01 196725338 tox21-ror-cho-viability-p1 set3 4 0.9439175816 7.0485573559 -0.5485573559 6.5 1.692447691 0.5922028334 0.1034527846 0.7915293 3.2293101 2.18819479 0.07103372 -3.43785652 -4.20713113 -2.71230868 -3.85226179 4.21004223 1.694639 4.52115823 5.1647035 9.63980551 6.11399667 4.12413571 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3874-54-2 19750 170466673 F C 4-Chloro-1-(4-fluorophenyl)-1-butanone O=C(CCCCl)c1ccc(F)cc1 Tox21_113749 -NCGC00163927-04 196720823 tox21-ror-cho-viability-p1 set3 2.4 2.794594197 35.0632582519 -21.0632582519 14 0.2 0.8064948043 0.006943628 -14.77290657 -17.55271521 -12.17375283 -11.18112402 -11.27664968 -9.60268595 -2.76061272 -8.58117466 -7.00937573 -7.26194823 -0.37080379 -5.49214867 -1.22792684 -0.27161859 8.56630391 1.203E-9 2.6889999999E-9 6.014E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003759 0.000008404 0.000018789999999 0.00004202 0.000093959999999 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00253986-01 196720014 tox21-ror-cho-viability-p1 set3 4 24.3365162115 -13.550400112 -3.5 -17.050400112 4.9549173134 0.6746739381 0.0505301781 -10.11631712 -6.8542733 -1.37096115 -2.89198119 -3.20238131 -2.41152247 -3.75194227 0.74396816 -4.9424438 1.78179558 -4.54820172 -3.75753207 -4.07599784 -20.45866676 -13.45902622 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-53-4 7242 144210499 A Fc 2-Methylaniline Cc1ccccc1N Tox21_300179 -NCGC00254536-01 196720415 tox21-ror-cho-viability-p1 set3 2.4 0.5448267328 37.5 4 41.5 0.5 0.5732107701 0.1928421133 12.23015729 0.87317971 11.59038051 7.72310872 17.17550973 20.12787694 0 22.60164778 30.1225559 24.99692186 31.79484073 24.4882653 5.26351553 -4.36979746 1.82313235 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3855-32-1 77463 144210710 A Fc 2,6,10-Trimethyl-2,6,10-triazaundecane CN(C)CCCN(C)CCCN(C)C Tox21_300392 -NCGC00090986-03 196720427 tox21-ror-cho-viability-p1 set3 -2.4 61.5037543138 -36.781026344 3.5 -33.281026344 3.6272481694 0.8399773999 0.0030234298 7.46516091 11.99202 4.92218544 0.73131984 1.61371222 0.07563479 4.12477267 -1.19324781 1.1515983 6.8521011 3.09198121 0.28602065 3.45802771 -3.47669769 -26.48418862 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00254273-01 196720836 tox21-ror-cho-viability-p1 set3 4 -4.22982792 -9.54325242 -0.10320078 -11.86088906 3.33244252 2.37797232 3.88984808 4.68042533 3.08778035 3.66376537 0.11754098 1.48867689 3.84637593 -13.60216024 0.20781057 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-61-6 6895 144210819 A Ac 1,2,3-Trichlorobenzene Clc1cccc(Cl)c1Cl Tox21_300501 -NCGC00254271-01 196720840 tox21-ror-cho-viability-p1 set3 4 -6.06465394 -5.85665082 3.1609466 3.31213804 1.7829235 1.63747114 2.45382274 -12.57424495 -9.45865673 -25.54761489 -20.27903932 4.74696979 4.55151884 0.23370125 -4.2512795 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-59-8 7943 144210693 A Ac Dimethyl malonate O=C(OC)CC(=O)OC Tox21_300375 -NCGC00258854-01 196721634 tox21-ror-cho-viability-p1 set3 4 34.3762428541 8.9110184199 -5.9110184199 3 4.9549173134 0.3746712104 0.2973047878 -9.42285603 -5.63383256 -1.70155454 1.64561336 -5.07140308 -8.86150268 -8.02694009 -10.34251535 -8.62403712 0.96950158 -7.58326697 -6.07530326 -6.51214271 0.88359429 3.11651511 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041229999999 0.00009218 1115-20-4 14218 144208500 A A 3-Hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropanoate CC(C)(CO)COC(=O)C(C)(C)CO Tox21_201302 -NCGC00254969-01 196720853 tox21-ror-cho-viability-p1 set3 4 0.42015596 -0.20813332 0.83138613 -1.64579404 -4.26723485 -6.9331175 -4.75792221 -0.68001265 -3.59672716 -0.15110381 -0.41244829 -3.31370041 -3.42331968 -3.6011675 -2.2960745 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103764-33-6 60196415 144211385 A A 4-Methylumbelliferone hydrate O.Oc1ccc2c(c1)OC(=O)C=C2C Tox21_301068 -NCGC00254529-01 196720451 tox21-ror-cho-viability-p1 set3 4 9.18556525 -1.3060747 7.60284779 4.31211402 7.66923907 1.89761712 3.33013631 14.01967614 10.50914268 11.47357354 6.6437895 3.05981712 10.10605742 -0.53937698 7.68515522 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-51-8 7705 144210829 FNS Butylbenzene CCCCc1ccccc1 Tox21_300511 -NCGC00254061-01 196720453 tox21-ror-cho-viability-p1 set3 4 -0.48340423 0.61189318 0.41531061 -0.33878552 -8.99200317 -10.29196915 -0.15367705 1.44188071 -8.12106953 -0.85570542 -0.24307256 -0.04254881 0.27953642 -0.2554429 -1.58225881 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-42-2 8113 144210354 Fns Diethanolamine OCCNCCO Tox21_300034 -NCGC00255012-01 196720456 tox21-ror-cho-viability-p1 set3 4 0.78670114 4.29367261 9.74320777 9.21638849 6.22989703 0.38855343 1.10245276 -1.61910815 8.10506814 3.78331381 7.1611017 0.06479077 0.52192676 -0.80935705 2.88829041 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 26225-79-6 33360 144211429 Ac Ac Ethofumesate CS(=O)(=O)Oc1cc2c(cc1)OC(OCC)C2(C)C Tox21_301112 -NCGC00254485-01 196720857 tox21-ror-cho-viability-p1 set3 4 7.21584127 2.88938867 1.5144408 -3.95886446 -4.86855254 -3.63203811 9.77843907 5.5374094 8.77961455 9.7356798 -6.12867931 -3.47069121 0.70414199 0.29013106 1.88300207 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-69-5 7670 144210922 A D N-Ethylaniline CCNc1ccccc1 Tox21_300605 -NCGC00254928-01 196720859 tox21-ror-cho-viability-p1 set3 4 0.0153553036 17.809845948 -14.809845948 3 0.3 0.6179645992 0.0982636538 -7.74149903 -13.59153829 -3.92717647 -1.02566621 -8.74582424 -6.52662549 0.24642722 -3.02111006 -1.60542936 -0.63610799 -0.51832598 -0.64069595 1.48090168 2.97231229 -3.15130166 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-39-4 11487 144211343 A A Diphenylamine c1ccccc1Nc2ccccc2 Tox21_301026 -NCGC00254989-01 196720274 tox21-ror-cho-viability-p1 set3 4 1.3685428777 -5.3734334119 2 -3.3734334119 4.9549173134 0.4260325675 0.2483540289 4.22446527 -0.98290748 4.187595 3.1389159 2.81549686 -1.25038117 1.58742165 3.61183301 1.23556311 -1.60590151 -9.06119451 0.02878485 -0.97765813 1.43770557 -8.97740845 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-49-1 7656 144211406 A A Dibenzylamine C(NCc1ccccc1)c2ccccc2 Tox21_301089 -NCGC00253963-01 196720267 tox21-ror-cho-viability-p1 set3 4 10.8707224818 -19.050064932 -1.5 -20.550064932 0.3 0.4479498612 0.2265427152 -3.72755337 -4.10491428 -0.14135264 -8.31409677 1.10000467 -8.59573641 -5.12305952 -4.21644151 -7.16851408 -17.12505411 -2.85711946 -6.05489223 -16.56247801 -11.08951861 -16.11131655 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-96-6 8150 144210397 F Bis(2-methoxyethyl) ether COCCOCCOC Tox21_300077 -NCGC00254832-01 196720270 tox21-ror-cho-viability-p1 set3 4 0.0121847484 29.881124492 -11.881124492 18 0.3 0.6200079744 0.0961558188 -6.98427041 2.62875888 2.4901763 7.92491783 8.50052194 5.24196742 2.53424042 7.01170409 3.51307168 21.38144488 17.49526159 13.94530076 12.47830454 15.82658096 -19.63143462 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 33089-61-1 36324 144211247 A C Amitraz Cc2ccc(/N=C/N(C)/C=N/c1ccc(C)cc1C)c(C)c2 Tox21_300930 -NCGC00015060-14 196720272 tox21-ror-cho-viability-p1 set3 4 0.0085559507 13.801798584 -12.801798584 1 0.3 0.5965175983 0.100645906 -8.39236013 -9.00149882 -7.46829201 -0.5684876 -3.2824854 -7.36579631 -3.90942507 1.25775984 -3.74753245 -2.81212943 0.34066472 -1.8815804 -1.57065696 2.14717912 0.0941468 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00254462-01 196720672 tox21-ror-cho-viability-p1 set3 -2.4 27.3060203028 -30.589092948 6 -24.589092948 1.692447691 0.7810028359 0.0115480859 15.38840444 11.28668228 2.09393382 0.79518675 4.30736329 12.29103861 6.21953323 1.55292109 5.93880328 6.62641913 0.30395943 -1.26474269 0.79657466 -18.50905819 -20.49091079 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-47-8 8434 144210653 A A Ethylparaben Oc1ccc(cc1)C(=O)OCC Tox21_300335 -NCGC00254886-01 196720674 tox21-ror-cho-viability-p1 set3 4 1.30266522 -3.02449882 4.40949132 -6.62754044 4.54610386 3.07357746 -10.05859325 -6.65354191 -9.41679058 2.07928213 -16.66005477 -1.52745559 -9.5303995 2.59845586 -8.85903272 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-40-2 4937 144211301 A A Propazine Clc1nc(NC(C)C)nc(NC(C)C)n1 Tox21_300984 -NCGC00254370-01 196720676 tox21-ror-cho-viability-p1 set3 4 -3.15361443 0.38816086 -0.21206424 4.42893191 -2.07164909 -4.63111694 -0.31522686 -2.22514869 -0.53339787 -0.39147756 -0.2057431 1.76695937 0.21584199 1.31108035 3.43129922 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-86-2 7410 144210661 A Ac Acetophenone CC(=O)c1ccccc1 Tox21_300343 -NCGC00256705-01 196718180 tox21-ror-cho-viability-p1 set2 4 0.75104209 -5.43788675 -2.53538578 -0.3320387 -0.85582348 0.50079541 -4.32015518 -0.0378606 -1.38822356 -2.55023842 0.53488936 0.32964256 -0.27821472 -2.52446678 -5.60980094 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13019-22-2 25612 144212854 A A 9-Decen-1-ol C=CCCCCCCCCO Tox21_302537 -NCGC00264003-02 196717763 tox21-ror-cho-viability-p1 set2 4 29.8492948118 -15.1872237839 1 -14.1872237839 0.7 0.594718304 0.1019106679 -0.52320536 -0.61040534 -0.50452176 0.45622305 2.84002157 3.38792493 4.35692916 2.26185324 -1.68527682 -2.74487909 -2.95337983 -4.15532062 0.1791411 -3.83076665 -10.15601982 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27887-84-9 197883 170465255 F (2R,3R)-2,3-Dimercaptosuccinic acid O=C(O)[C@@H](S)[C@H](S)C(O)=O Tox21_110015_1 -NCGC00162232-06 196717769 tox21-ror-cho-viability-p1 set2 4 2.13303405 1.66643241 -0.53198423 1.29208079 3.01164281 0.11252551 4.0649165 2.04417366 1.71006621 2.59181138 2.46081995 3.52705535 2.13172178 3.47540161 0.42360592 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1021868-76-7 23681233 170466485 A Lorglumide sodium [Na+].Clc1ccc(cc1Cl)C(=O)NC(CCC([O-])=O)C(=O)N(CCCCC)CCCCC Tox21_110312_1 -NCGC00164594-02 196717778 tox21-ror-cho-viability-p1 set2 4 -1.52811874 -0.34990173 -0.26421015 0.33002652 -0.53620516 -1.25656289 0.12218053 -2.23697584 -1.23914289 -0.90451187 -0.50290895 -0.30387563 -0.36527208 -0.10668878 1.44173276 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82034-46-6 444025 170465195 A Loteprednol etabonate O=C(OCCl)[C@@]4(OC(=O)OCC)CC[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_112219_1 -NCGC00256783-01 196718181 tox21-ror-cho-viability-p1 set2 4 0.011321862 7.3792781199 -0.3792781199 7 1.4641 0.5176112105 0.1646261273 -0.65569063 2.617 -1.5660651 4.70409147 5.54699134 8.03506159 5.46189084 8.42648834 7.3602749 3.07790544 3.56499491 12.50209037 7.14586275 6.2529542 4.97690639 1.109E-9 2.4799999999E-9 5.5449999999E-9 1.2399999999E-8 2.772E-8 6.199E-8 1.3859999999E-7 3.1E-7 6.931E-7 0.00000155 0.000003465 0.000007749 0.00001733 0.00003875 0.00008664 2392-39-4 16961 144212903 A F Dexamethasone sodium phosphate [Na+].[Na+].[O-]P([O-])(=O)OCC(=O)[C@@]4(O)[C@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_302586 -NCGC00260524-01 196703463 tox21-ror-cho-viability-p1 set1 4 2.45668997 6.0201527 5.74421161 6.89190598 -2.43667116 0.01520668 3.92386438 7.34322535 11.32892584 2.74412103 5.625761 1.4747274 0.36574392 10.91727163 2.20859741 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.00000369 0.000008252 0.000018449999999 0.000041259999999 0.00009226 104-98-3 736715 144210176 Ac A Urocanic acid OC(=O)/C=C/c1cncn1 Tox21_202978 -NCGC00090776-02 196703055 tox21-ror-cho-viability-p1 set1 4 -13.41544683 -0.64615428 -7.6113202 -5.17509983 -12.49556016 -12.14852686 -7.95843998 -1.8427691 0.12232463 -6.62633281 -2.5144785 -7.53797084 -6.06080491 -11.24895392 -5.34642161 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00163843-03 196703454 tox21-ror-cho-viability-p1 set1 4 -2.82526321 -4.08472932 -4.85033567 -4.08945143 -4.97369486 -7.51164385 0.13154687 -12.6529654 0.97537865 -9.97570054 -0.35699781 -8.39829462 -7.31695697 -12.12152746 0.73807474 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00260332-01 196703885 tox21-ror-cho-viability-p1 set1 4 2.50289279 1.94594119 -0.1202917 -0.74152532 -0.23141991 -0.22742832 -2.90024687 1.13512037 0.80480716 0.42022463 0.61111804 0.53956475 1.50831339 1.17725714 -3.44317974 1.2869999999E-9 2.8779999999E-9 6.4349999999E-9 1.439E-8 3.218E-8 7.1949999999E-8 1.609E-7 3.597E-7 8.044E-7 0.0000017989999999 0.000004022 0.0000089939999999 0.00002011 0.00004497 0.00010059999999 5632-47-3 21845 144209984 A B N-Nitrosopiperazine O=NN1CCNCC1 Tox21_202786 -NCGC00091044-02 196703886 tox21-ror-cho-viability-p1 set1 4 0.59005364 0.58893609 -0.0638842 2.9079192 -2.54796986 -0.6829722 3.1412013 -0.02457228 5.9753078 -2.60087781 6.83716171 0.72366771 -0.93255917 -1.35971502 -4.11118163 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00163953-03 196703893 tox21-ror-cho-viability-p1 set1 -3 72.7253077472 -48.9308466444 -2.338810354 -51.2696569984 3.9899729863 0.8648288799 0.0013907717 1.58116296 -5.48658737 4.16866642 1.21857255 -0.00852292 -5.1195139 -2.40713662 -1.89790728 -3.00628427 -9.54762788 -0.24492735 -8.68372372 0.47353485 -8.18902901 -39.21943712 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00163927-04 196704289 tox21-ror-cho-viability-p1 set1 4 1.02309345 -0.99152386 4.29373317 -5.44032449 -1.26840895 0.31953786 -0.81217926 0.10062969 0.36284779 0.69363005 -2.42782551 3.78898737 -1.03102288 4.10004507 -0.50708465 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00015841-11 196704293 tox21-ror-cho-viability-p1 set1 4 29.8492948118 12.024156852 -2.024156852 10 4.0949729863 0.6386945779 0.0721735908 -6.27013071 0.29996951 -1.8934234 -2.04413612 -3.88715578 0.31602433 -0.72714521 -3.20198238 -2.26565721 0.26825773 -4.3101037 0.42560895 -0.5792636 -0.02415191 8.18519584 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 306-07-0 9373 170465066 Z Pargyline hydrochloride Cl.CN(Cc1ccccc1)CC#C Tox21_110241_1 -NCGC00025302-02 196704305 tox21-ror-cho-viability-p1 set1 4 18.8336317891 -10.04724188 2.5 -7.54724188 2.7202212143 0.6555651723 0.0619165014 0.10215981 0.63406115 1.76150306 1.61178201 2.03629611 5.5500937 3.12457214 6.96343327 3.54694028 1.02906591 -0.12811629 3.57216021 1.22321807 -2.90557615 -6.7060349 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1135280-78-2 24978536 170466455 A Altanserin hydrochloride Cl.Fc1ccc(cc1)C(=O)C4CCN(CCN2C(=O)c3ccccc3NC2=S)CC4 Tox21_110960_1 -NCGC00090885-03 196704321 tox21-ror-cho-viability-p1 set1 4 54.4826732819 -19.505971396 0.5 -19.005971396 3.9899729863 0.8957500593 0.0004014697 -2.61142056 2.00639411 1.23659963 0.99831203 0.36764247 0.07272369 0.35185719 1.44986382 -3.19223606 1.45899697 2.4132884 1.60537923 0.27430231 -4.32854125 -16.67164283 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00260014-01 196703914 tox21-ror-cho-viability-p1 set1 4 -1.15902973 3.20649071 2.54844953 4.51655056 0.84043277 0.80117321 1.42056848 5.9770172 5.74901577 2.62949968 -1.34425299 4.08882894 4.06731616 4.0163407 4.8964195 1.212E-9 2.711E-9 6.0619999999E-9 1.3549999999E-8 3.031E-8 6.7769999999E-8 1.515E-7 3.3889999999E-7 7.577E-7 0.0000016939999999 0.000003789 0.000008472 0.00001894 0.000042359999999 0.000094709999999 79-00-5 6574 144209663 F 1,1,2-Trichloroethane ClCC(Cl)Cl Tox21_202465 -NCGC00166146-02 196704312 tox21-ror-cho-viability-p1 set1 -2.1 29.8492948118 -90.998443173 0.925786877 -90.072656296 4.0949729863 0.9741926303 2.058E-7 -1.50583621 -1.56838752 9.01491765 -1.65013142 2.11352082 1.60900545 2.20564561 7.07541724 -0.91022923 1.0579275 -0.99340257 -1.41062538 -3.36387867 -16.57850966 -76.72721358 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 152-43-2 9046 170465054 A Quinestrol C#C[C@]5(O)CC[C@@H]2[C@]5(C)CC[C@@H]3c4ccc(OC1CCCC1)cc4CC[C@@H]23 Tox21_112340_1 -NCGC00263564-01 196704313 tox21-ror-cho-viability-p1 set1 -1.1 2.9849294812 -54.4258702177 -1.48701865 -55.9128888677 3.9899729863 0.968222539 0.0000020279 1.03333722 2.70068761 0.00780229 -0.35815866 -4.96478747 -3.99737521 0.444824 -5.99721374 -4.84109879 0.46008552 -9.56820547 -45.41713078 -62.16949889 -48.24876864 -29.35385631 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 141505-33-1 3033825 170466128 A Levosimendan N#C/C(C#N)=N\Nc1ccc(cc1)C2=NNC(=O)C[C@H]2C Tox21_112191_1 -NCGC00257372-01 196727337 tox21-ror-cho-viability-p1 set3 -1.1 15.3553036427 -91.522638655 -1.015647626 -92.538286281 2.2526478767 0.994452332 0 -0.21808479 -3.4149148 -3.19609414 -3.42082534 1.51827101 -1.32530802 -1.07259194 0.06179308 1.18974838 -0.89473643 -5.17223788 -20.07015189 -51.850132 -88.48366274 -88.63820525 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81741-28-8 9889168 144213861 A A Tributyltetradecylphosphonium chloride [Cl-].CCCC[P+](CCCC)(CCCC)CCCCCCCCCCCCCC Tox21_303556 -NCGC00257200-01 196727327 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -10.693095624 2 -8.693095624 4.0949729863 0.3850462012 0.662939199 8.38725138 0.51901068 -51.75243518 7.28115421 -0.55860687 1.30325717 -0.78742359 1.57851104 -0.034109 2.00674199 -0.53753023 0.21659158 1.97517571 0.85101755 -6.41091302 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 886-50-0 13450 144213458 A A Terbutryn CSc1nc(NCC)nc(NC(C)(C)C)n1 Tox21_303141 -NCGC00256385-01 196727326 tox21-ror-cho-viability-p1 set3 4 -6.34991449 -4.8695138 -0.33772053 0.92993282 0 -3.71857179 -12.19469723 -7.75750512 0 0 0 -6.13249498 -6.4626014 -5.72130344 2.10480063 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-27-3 8103 144213270 A 1-Hexanol CCCCCCO Tox21_302953 -NCGC00256708-01 196727332 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -32.368682176 -3 -35.368682176 4.9549173134 0.5055774852 0.1730882806 0.11201082 1.33956699 1.70440102 2.03270583 -1.79342401 -1.03408387 1.03139823 -13.32718055 -15.11989555 -19.30387186 0 0.51923547 0.39049922 0.70393187 -31.14056848 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 8028-48-6 144212914 M M Orange terpenes Tox21_302597 -NCGC00163774-04 196727745 tox21-ror-cho-viability-p1 set3 -2.4 44.822031193 -33.910244076 0.5 -33.410244076 2.4063783767 0.9174279317 0.0001220626 2.1296915 -0.26588122 -0.93194718 1.48070704 -1.50420931 -5.66442339 2.24048082 1.34706707 0.80555745 1.39121974 3.97288316 -1.9563872 0.49122163 -16.77166926 -28.25853673 1.2149999999E-9 2.7169999999E-9 6.075E-9 1.358E-8 3.038E-8 6.7919999999E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00257426-01 196727749 tox21-ror-cho-viability-p1 set3 4 0.4327712569 4.990139292 -3.990139292 1 1.2221 0.6231610851 0.0829972278 -0.40472085 -6.65844941 -4.15422071 -3.6538318 -5.29977499 -3.20145132 -3.47267212 -0.09667176 -2.48463465 0.32131488 0.73532625 3.55168653 -0.21679884 0.26703786 -0.11897725 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 625114-41-2 10432339 144213898 A A Piragliatin O=C(Nc1cnccn1)[C@H](C[C@@H]2CC(=O)CC2)c3ccc(c(Cl)c3)S(C)(=O)=O Tox21_303593 -NCGC00256444-01 196727408 tox21-ror-cho-viability-p1 set3 4 65.0694046213 -20.65234 0.5 -20.15234 4.9549173134 0.7493962789 0.019833636 -0.83951313 -2.89144675 -1.24586294 -0.51048961 -0.1552155 0.66638589 0.88298576 5.78789175 4.63297461 1.35751456 1.09963719 0.77489608 -2.88425268 0.28960566 -15.12695 1.026E-9 2.295E-9 5.132E-9 1.148E-8 2.5659999999E-8 5.7379999999E-8 1.283E-7 2.8689999999E-7 6.4149999999E-7 0.000001434 0.0000032069999999 0.0000071719999999 0.00001604 0.00003586 0.00008018 126-72-7 31356 144213284 A F Tris(2,3-dibromopropyl) phosphate BrCC(Br)COP(=O)(OCC(Br)CBr)OCC(Br)CBr Tox21_302967 -NCGC00256600-01 196726994 tox21-ror-cho-viability-p1 set3 4 1.2197151236 -46.7089966955 21.8694756705 -24.839521025 0.2 0.5645383388 0.1234682943 10.05995272 28.33802576 1.21220811 0.36023692 -0.199527 11.96451847 0.4028855 3.07730143 -1.44964109 1.5889152 0.07689362 -8.40610304 -0.66149868 -12.29548828 -16.92747573 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 536-33-4 2761171 144213086 A A Ethionamide CCc1cc(ccn1)C(N)=S Tox21_302769 -NCGC00256334-01 196726999 tox21-ror-cho-viability-p1 set3 4 -5.98380639 -1.97904148 -21.999551 -10.87358155 -19.8777097 -7.03580577 0 0 0 0 0 -20.66565848 -7.00007669 -6.60489232 -7.06219561 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98319-26-7 57363 144213061 A A Finasteride CC(C)(C)NC(=O)[C@H]4CC[C@@H]3[C@]4(C)CC[C@H]1[C@H]3CC[C@H]2NC(=O)C=C[C@]12C Tox21_302744 -NCGC00256477-01 196727001 tox21-ror-cho-viability-p1 set3 4 1.34830888 0.78825522 2.56465972 1.46404893 1.01599963 0.0203045 1.365662 1.14240821 0.23599006 1.96367329 0.74418195 1.97686241 3.03152467 1.62837037 0.89907212 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 615-53-2 12001 144213189 F D N-Nitroso-N-methylurethane CN(N=O)C(=O)OCC Tox21_302872 -NCGC00256438-01 196727412 tox21-ror-cho-viability-p1 set3 4 1.27497842 -0.01942613 -3.48700733 0.02782644 2.16938807 0.20829638 2.10874292 1.57173806 1.43267948 3.5491707 4.41488972 0.11881518 0.08696484 -0.69063456 1.90784188 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76150-91-9 5382 144213187 A F 1,4-Bis[2-(3,5-dichloropyridyloxy)]benzene Clc3cc(Cl)cnc3Oc1ccc(cc1)Oc2ncc(Cl)cc2Cl Tox21_302870 -NCGC00256636-01 196727425 tox21-ror-cho-viability-p1 set3 4 -6.59719267 -5.627648 -5.45159816 -4.38788868 -2.12568032 -1.36281703 -2.75457882 1.03777721 -7.34358664 -5.61848602 0 0.26135896 -6.69227465 -5.70431058 2.45732849 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33704-61-9 92292 144212994 A Ac Dihydro-1,1,2,3,3-pentamethyl-4(5H)-indanone O=C1CCCC2=C1C(C)(C)C(C)C2(C)C Tox21_302677 -NCGC00091261-03 196723706 tox21-ror-cho-viability-p1 set3 4 1.0870722482 -6.4411114839 1 -5.4411114839 4.0949729863 0.4391975067 0.2353635806 -0.39826768 -0.65175309 -0.61964199 0.02041778 -0.86981427 7.3182988 -0.05131109 2.34488008 -0.33112585 -3.75533556 -10.31674013 -1.88983554 -4.25530845 0.52536829 -12.03425957 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00167529-02 196722894 tox21-ror-cho-viability-p1 set3 4 -0.20070077 0.04646852 -2.90095806 -0.88224779 -1.27848708 -2.44793242 -1.11767374 -0.93023004 -4.51940609 -5.35332318 -0.11894735 -4.71208826 -6.888123 -2.4373681 6.9533349 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122892-31-3 129791 170465974 A Itopride hydrochloride Cl.COc1cc(ccc1OC)C(=O)NCc2ccc(OCCN(C)C)cc2 Tox21_112526_1 -NCGC00095116-05 196722895 tox21-ror-cho-viability-p1 set3 4 0.0595571731 14.606253752 -13.106253752 1.5 3.9294729863 0.5292450145 0.1525363602 -9.74067114 -3.0430482 -22.0996406 -19.27690216 -0.8779437 -24.25521146 0 0 -5.67194095 3.03690878 3.89984473 3.76186949 -1.92325033 2.34542255 6.09946036 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1665-48-1 15459 170465241 A Metaxalone Cc1cc(cc(C)c1)OCC2CNC(=O)O2 Tox21_111428_1 -NCGC00247695-01 196723306 tox21-ror-cho-viability-p1 set3 4 -7.42948474 -25.26107191 -9.74635216 -16.63171325 -20.1896097 -20.66710629 -22.27316206 -21.49667794 -10.23427587 -18.13752182 -17.4605781 -16.33716036 -21.27856158 -26.11537175 -21.26783734 1.2629999999E-9 2.824E-9 6.3139999999E-9 1.412E-8 3.157E-8 7.06E-8 1.579E-7 3.5299999999E-7 7.893E-7 0.0000017649999999 0.000003947 0.000008825 0.00001973 0.00004412 0.00009866 131690-45-4 60196323 144206398 A A cis-N-[1-[2-(2-Thienyl)ethyl]-3-methyl-4-piperidyl]-N-phenylpropanamide hydrochloride Cl.CCC(=O)N(c1ccccc1)C2CCN(CC2C)CCc3cccs3 Tox21_112845 -NCGC00260362-01 196723723 tox21-ror-cho-viability-p1 set3 4 6.9217869158 -6.444757952 3 -3.444757952 4.9549173134 0.3246770593 0.3605850262 -4.72339112 3.46875699 4.91929787 2.15187886 7.36654353 2.77183351 9.91083849 1.75896535 -1.80513575 1.45277409 6.25901883 -1.80499548 -4.95396496 -1.9629741 1.10198679 1.189E-9 2.6589999999E-9 5.945E-9 1.3289999999E-8 2.9719999999E-8 6.646E-8 1.486E-7 3.323E-7 7.4309999999E-7 0.000001662 0.0000037149999999 0.0000083079999999 0.000018579999999 0.00004154 0.000092879999999 2473-01-0 17185 144210014 Ac Fns Nonane,1-chloro- CCCCCCCCCCl Tox21_202816 -NCGC00254853-01 196720890 tox21-ror-cho-viability-p1 set3 2.2 0.1933118196 30.170021004 -18.670021004 11.5 0.2 0.6869098754 0.0443045622 -12.64168417 -12.08654719 -6.12961652 -6.15583677 -6.67551533 -5.3806404 -1.98171717 0.14174539 -1.57999698 0.7689491 1.17366738 -1.8061589 -2.07307645 -0.92647388 13.36322863 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1067-25-0 61254 144211268 FC Trimethoxypropylsilane CO[Si](CCC)(OC)OC Tox21_300951 -NCGC00254874-01 196720474 tox21-ror-cho-viability-p1 set3 1.4 0.0034376243 18.46707404 -19.46707404 -1 0.7 0.7945755853 0.0089865989 -11.95564412 -14.9725617 -7.43415194 -2.02864211 -4.87883866 -5.38235093 -4.66109043 -0.68717254 -0.4960928 -2.41247222 -2.07599965 -2.46361686 -0.26062208 1.14539443 -0.07256591 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-95-3 61014 144211288 A A 1,4-Dioxacycloheptadecane-5,17-dione O=C1CCCCCCCCCCCC(=O)OCCO1 Tox21_300971 -NCGC00254723-01 196720883 tox21-ror-cho-viability-p1 set3 4 7.9979216456 -5.7317848599 3.5 -2.2317848599 1.4787409999 0.3671546034 0.3062086497 -0.48292256 6.77789001 6.92282895 -2.69315405 5.27294989 2.03381432 2.23540364 7.3826028 2.43277813 4.06378269 1.41336026 0.66939894 -0.18334368 -1.95900862 -2.29116154 1.1069999999E-9 2.474E-9 5.533E-9 1.237E-8 2.766E-8 6.186E-8 1.383E-7 3.093E-7 6.916E-7 0.0000015459999999 0.000003458 0.000007732 0.00001729 0.000038659999999 0.00008645 10025-74-8 66207 144211136 Dysprosium(III) chloride Cl[Dy](Cl)Cl Tox21_300819 -NCGC00253997-01 196720889 tox21-ror-cho-viability-p1 set3 4 0.0068589622 12.9892670359 -14.4892670359 -1.5 0.7 0.6753528312 0.0505324063 -8.74983995 -15.40772253 -6.3773024 -4.62725707 -7.29408834 -3.46744315 -0.97868078 -3.43538072 -3.5368001 -3.01096626 0.50637337 -0.44802485 -4.12026061 -2.91879774 0.13279727 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 556-52-5 11164 144210621 F Glycidol OCC1CO1 Tox21_300301 -NCGC00254017-01 196720896 tox21-ror-cho-viability-p1 set3 4 61.0684034629 24.7363979759 -6.7363979759 18 0.4 0.6434857187 0.0682371722 -9.07156182 -9.36366498 -4.87040681 -0.55456361 -8.93838264 -4.98842451 -2.98484868 -0.5790014 -2.07164661 -3.56366259 0.12537042 -0.10270322 -0.07497208 -0.10884276 13.04463338 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 58-93-5 3639 144210612 A A Hydrochlorothiazide NS(=O)(=O)c2cc1c(NCNS1(=O)=O)cc2Cl Tox21_300292 -NCGC00258914-01 196721278 tox21-ror-cho-viability-p1 set3 4 0.010587105 -19.8051519 -12.23392694 -3.44895061 -6.81432629 -2.08327018 -5.00529713 -3.97169469 -0.74326111 -3.02863637 3.00617766 -1.94836195 0.25025776 -0.936064 4.43249969 4.04368732 1.148E-9 2.567E-9 5.739E-9 1.2829999999E-8 2.87E-8 6.417E-8 1.4349999999E-7 3.2079999999E-7 7.174E-7 0.000001604 0.000003587 0.000008021 0.00001794 0.0000401 0.00008968 105-53-3 7761 144208560 A A Diethyl propanedioate O=C(CC(=O)OCC)OCC Tox21_201362 -NCGC00163930-04 196721286 tox21-ror-cho-viability-p1 set3 4 30.6378586933 7.9339961559 -3.4339961559 4.5 4.9549173134 0.6278778918 0.0792401976 -7.02833013 -3.37143009 -2.38572222 1.2694835 -3.31061609 -5.00402392 -4.68356149 -3.43524967 -3.10751508 -0.77991798 -4.72742873 -3.46821531 -4.19157668 3.93047577 3.67224837 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00246967-02 196717382 tox21-ror-cho-viability-p1 set2 4 -0.25379436 0.50320771 0.07811381 -0.04228378 0.69083573 1.64333742 -1.61044333 -5.1032129 -0.20563928 3.76944398 2.76694037 2.11415064 1.57156001 1.86185695 1.4220984 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2152-34-3 4723 170465421 A Pemoline NC1=NC(=O)C(O1)c2ccccc2 Tox21_112509_1 -NCGC00254217-01 196720707 tox21-ror-cho-viability-p1 set3 4 15.3553036427 -16.495023932 10.5 -5.995023932 2.7202212143 0.414312797 0.2577102037 9.07292753 0.05647025 5.25392715 2.21556096 7.42773307 11.71708461 11.7884728 23.43062944 15.96160161 20.45990526 2.49746495 15.34439245 -4.78954277 0.66954843 -9.57918661 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-55-8 7444 144210454 A A 2-Methyl-5-nitroaniline Cc1ccc(cc1N)[N+]([O-])=O Tox21_300134 -NCGC00254675-01 196720710 tox21-ror-cho-viability-p1 set3 4 0.7695882154 -17.326627212 -1 -18.326627212 3.9899729863 0.7888155845 0.0136434392 -2.25786247 0.62233206 -1.49452964 -0.42639752 0.41793537 0.37496941 -5.65883077 -0.17355624 -8.36546915 -19.53668258 -18.6483305 -25.68885601 -20.00661969 -6.36804224 -0.05915188 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10325-94-7 11402127 144211088 Cadmium dinitrate [O-][N+](=O)O[Cd]O[N+]([O-])=O Tox21_300771 -NCGC00091657-02 196721102 tox21-ror-cho-viability-p1 set3 4 15.04604086 11.67650449 8.43260287 17.63087659 13.43280485 15.39418187 13.48745269 13.93353891 13.80388977 9.32252032 13.67160616 14.16910376 16.13910992 18.13378649 12.16709327 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00015479-19 196717372 tox21-ror-cho-viability-p1 set2 4 -11.32368748 -3.17868364 -1.22722716 -2.06632089 -2.94306689 -0.56442042 -7.36889776 -5.64484632 -0.73103159 -2.48005061 1.15408179 -0.30758203 -3.32876505 -5.96639896 -9.6735714 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 446-72-0 5280961 170466848 A Genistein Oc1ccc(cc1)C3=COc2cc(O)cc(O)c2C3=O Tox21_110161_1 -NCGC00179676-03 196717373 tox21-ror-cho-viability-p1 set2 -2.4 33.4914596268 -34.05249282 1.5 -32.55249282 4.9549173134 0.9230060513 0.0000850681 0.61223096 -1.73639885 0.72569538 5.62438012 3.35608169 2.84337288 -1.50668407 0.18240809 3.44372881 -0.52409969 0.47680351 -0.6797222 2.16206779 0.27513809 -27.12707735 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52-76-6 5284486 170465984 F Lynestrenol C[C@]32CC[C@@H]1[C@H]4CCCC=C4CC[C@H]1[C@@H]3CC[C@]2(O)C#C Tox21_110319_1 -NCGC00094580-04 196717378 tox21-ror-cho-viability-p1 set2 4 -2.84631208 -1.17394363 -1.91569326 -2.68832393 1.25383332 -5.39001804 -2.63818308 1.00846821 1.78856991 -3.24252753 -3.86238422 -3.45558276 -3.20597894 -1.02065224 -3.95368781 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 315-30-0 2094 170464935 A Allopurinol Oc2ncnc1nncc12 Tox21_110082_1 -NCGC00164578-02 196717782 tox21-ror-cho-viability-p1 set2 4 -3.64042131 -4.94163956 -2.50841052 1.67781298 -3.89648971 -2.08294458 1.19424094 -0.26750933 1.77875532 1.79919296 1.68596963 -4.09278101 -3.19875015 -2.8096133 -3.90766285 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 202409-33-4 123619 170465621 A Etoricoxib CS(=O)(=O)c1ccc(cc1)c3cc(Cl)cnc3c2cnc(C)cc2 Tox21_112206_1 -NCGC00091345-04 196717794 tox21-ror-cho-viability-p1 set2 4 2.522684 1.5473673 2.59993058 1.96663443 6.50915778 2.15270624 4.14699154 1.44046308 2.95133084 2.77194591 2.2549575 -0.46431307 -0.91831332 2.5354337 -0.43130028 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 124-04-9 196 170465352 A Hexanedioic acid OC(=O)CCCCC(=O)O Tox21_111118_1 -NCGC00263530-01 196717802 tox21-ror-cho-viability-p1 set2 4 1.00472528 0.72174768 0.5809373 3.56752928 2.9204502 2.82499567 3.91508243 -1.57257555 0.56771242 -1.42065985 -2.50421202 0.1016887 -1.38615095 -3.50367712 2.27340475 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118288-08-7 5282136 170465978 A Lafutidine O=S(CC(=O)NC/C=C\COc2cc(CN1CCCCC1)ccn2)Cc3ccco3 Tox21_112179_1 -NCGC00256697-01 196718213 tox21-ror-cho-viability-p1 set2 4 3.8570778872 5.3195571879 -6.3195571879 -1 3.0654483358 0.3434046128 0.3284858197 -6.35761205 -4.96646161 -6.15646814 0.04700392 -6.27491679 -6.8040474 -2.47367855 -10.5729701 -6.28148521 -12.34963099 -2.11460803 -2.8773579 0.09585186 -2.49587851 -0.59979862 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5331-43-1 79242 144213036 A Ac Hydrazinecarboxylic acid, phenylmethyl ester NNC(=O)OCc1ccccc1 Tox21_302719 -NCGC00257334-01 196718617 tox21-ror-cho-viability-p1 set2 4 0.33502833 -4.08415599 1.03295059 0.23286642 -0.34312901 0.40807591 -0.45295265 -3.71048362 1.20007923 -3.69718152 3.41971702 2.54610089 0.61461084 -0.00435064 0.4087023 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 24615-84-7 90558 144213798 F Ac 2-Carboxyethyl acrylate O=C(O)CCOC(=O)C=C Tox21_303489 -NCGC00256704-01 196718619 tox21-ror-cho-viability-p1 set2 4 -0.23583996 -0.7945819 -3.37006575 0.6863345 -10.87148784 -4.12354783 -0.12521105 -0.23062995 -0.58151817 0.51895089 -1.01636736 -1.06535139 -3.13485524 -1.40378925 -1.40931998 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23747-48-0 32065 144212839 C Fns 5H-5-Methyl-6,7-dihydrocyclopenta[b]pyrazine CC2CCc1nccnc12 Tox21_302522 -NCGC00256696-01 196718626 tox21-ror-cho-viability-p1 set2 4 -0.55953608 0.50911376 -0.60401372 0.54915106 -0.73606942 -4.56211973 -3.27232153 -6.94202554 -1.17200382 -4.38183839 0.34283227 -2.69067068 -2.01759307 0.95176243 0.49822715 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-87-9 62336 144213023 A A 2-Phenylpropionaldehyde dimethyl acetal COC(OC)C(C)c1ccccc1 Tox21_302706 -NCGC00260040-01 196712155 tox21-ror-cho-viability-p1 set2 2.4 67.0579497893 28.298942468 1.701057532 30 2.7867712143 0.9434837211 0.0000165579 0.07417108 2.25903562 0.20093488 0.64583627 1.43660602 -0.66578539 1.27620211 2.1723868 2.99520045 4.13243925 1.44090354 0.30531051 3.62299899 6.88796689 21.86999071 1.158E-9 2.5899999999E-9 5.792E-9 1.2949999999E-8 2.896E-8 6.475E-8 1.448E-7 3.238E-7 7.24E-7 0.0000016189999999 0.00000362 0.0000080939999999 0.0000181 0.00004047 0.000090499999999 123-72-8 261 144209689 Fns Butyraldehyde CCCC=O Tox21_202491 -NCGC00187943-02 196712568 tox21-ror-cho-viability-p1 set2 -2.4 29.8492948118 -29.781873912 -2.5 -32.281873912 1.0999999999 0.7892742869 0.0099116282 -3.59788418 -1.96235797 -3.00319814 1.14889601 -1.02792596 -8.14836204 0.86510929 -2.38783113 -2.93454099 -4.49087071 -1.79377732 -10.81100062 -4.66583589 -13.05968224 -23.56822826 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 147228-81-7 177843 170466423 A Benzyldimethyltetradecylammonium chloride dihydrate [Cl-].O.O.C[N+](C)(Cc1ccccc1)CCCCCCCCCCCCCC Tox21_112417_1 -NCGC00258754-01 196712158 tox21-ror-cho-viability-p1 set2 -3 6.9917037734 -51.044684892 -4.40040387 -55.445088762 0.7999999999 0.4302491435 0.2987566124 -5.64282 -9.39219207 -11.98014964 -7.00017561 -12.54574405 -9.38171277 -11.71458797 -13.76299025 0 -23.81181506 -7.93846941 -44.0040387 -4.80873664 -4.35333459 0.97573309 1.1989999999E-9 2.6809999999E-9 5.995E-9 1.3409999999E-8 2.998E-8 6.703E-8 1.4989999999E-7 3.351E-7 7.494E-7 0.000001676 0.000003747 0.000008378 0.00001873 0.00004189 0.00009367 107-15-3 3301 144208400 Ethylenediamine NCCN Tox21_201202 -NCGC00344545-01 196712555 tox21-ror-cho-viability-p1 set2 4 5.57325516 6.64895936 1.39410695 -0.01405715 6.71326165 0.6551659 1.00084342 0.35373093 0.67714063 5.12142146 7.17665559 0.40726958 1.69537081 0.80901401 1.5098616 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5817-39-0 644280 170466876 A 3,3',5'-Triiodo-L-thyronine Ic2cc(Oc1ccc(C[C@H](N)C(=O)O)cc1I)cc(I)c2O Tox21_112797_1 -NCGC00166024-02 196712576 tox21-ror-cho-viability-p1 set2 4 -0.22874902 -1.38623333 -3.59333138 -3.12637143 -2.27072276 -1.36484046 -3.20515206 -2.07472854 4.52479953 -0.61462818 -2.74871899 -1.15690217 -0.83334552 0.43801788 6.08010331 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 143-27-1 8926 170466140 Z Hexadecylamine CCCCCCCCCCCCCCCCN Tox21_112293_1 -NCGC00016023-18 196712971 tox21-ror-cho-viability-p1 set2 4 1.25867799 1.21689421 -0.41061909 -0.49006194 0.26413678 -0.3630872 0.22575155 1.10280159 -0.20848118 0.45162405 0.75146543 1.08549867 -0.55201124 5.12222382 1.96043203 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83-67-0 5429 170465487 A Theobromine Cn1cnc2c1C(=O)NC(=O)N2C Tox21_110284_1 -NCGC00090962-05 196713394 tox21-ror-cho-viability-p1 set2 4 -7.51418402 -3.41331552 -5.2625302 -3.33443444 -4.64974427 -2.0969179 -3.16640413 -2.68746011 -2.21388327 -1.43208053 -1.16663269 0.64628692 -3.8448932 -6.76104494 -9.49094663 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00163724-03 196713398 tox21-ror-cho-viability-p1 set2 -2.4 61.130564862 -29.049360384 -1 -30.049360384 1.0999999999 0.7546767061 0.018166732 2.98102207 3.14653739 -0.01660822 -3.69399732 -3.28733692 0.26596149 0.19904131 0.17217906 0.50435514 -9.51698262 -3.59259622 -4.3818068 -4.40852154 -10.32601953 -21.70780032 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00183008-01 196713400 tox21-ror-cho-viability-p1 set2 -2.4 33.4914596268 -30.468336212 -2 -32.468336212 4.9549173134 0.8515618564 0.0021532485 -6.42748255 -3.53442974 -0.32364538 -0.30631691 -5.39659595 -4.13508241 -4.83448714 0.77567167 -0.10064555 -4.07669738 -0.60944691 2.05544855 0.46187271 -0.06821498 -28.72361351 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 117279-73-9 119175 144206851 A A Israpafant CC(C)Cc1ccc(cc1)CCc2cc5c(s2)n3c(C)nnc3C(C)N=C5c4ccccc4Cl Tox21_113300 -NCGC00090708-05 196713402 tox21-ror-cho-viability-p1 set2 -1.2 9.6885416101 -37.6345742404 3.5 -34.1345742404 2.7202212143 0.9489724741 0.0000227902 7.83767912 2.76655377 3.47414003 6.62287166 -0.33051648 -0.07134972 0.91916185 5.79539071 4.92280179 0.36858364 -0.13752139 -7.82606169 -33.62878677 -32.55930872 -19.62689293 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00024257-08 196713403 tox21-ror-cho-viability-p1 set2 4 0.0668242473 -12.4259170479 6.5 -5.9259170479 0.2 0.4643573792 0.2316302501 1.82762491 5.45863634 1.25303525 0.57061153 2.2485281 -0.71421348 -0.1856315 1.13067342 -0.95143457 -0.33056547 -5.77159754 0.99573092 0.16736739 -5.57900938 2.23196209 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61-76-7 5284443 170465356 Z Phenylephrine hydrochloride Cl.O[C@@H](CNC)c1cc(O)ccc1 Tox21_110897_1 -NCGC00163507-03 196697329 tox21-ror-cho-viability-p1 set1 -2.4 33.4914596268 -26.160183628 -0.5 -26.660183628 4.9549173134 0.9060842864 0.0002369204 0.83917715 -0.86671538 0.50721404 -2.49051577 -0.63798317 -0.72737412 1.79781612 -3.75902369 1.88735572 -1.55494562 -3.73929151 -2.02249814 -0.24077663 -1.55066763 -22.21681969 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26095-59-0 72092 170466098 A Otilonium bromide [Br-].CC[N+](C)(CC)CCOC(=O)c1ccc(cc1)NC(=O)c2ccccc2OCCCCCCCC Tox21_112059_1 -NCGC00163930-04 196697347 tox21-ror-cho-viability-p1 set1 4 -2.78787496 -1.22061827 1.36299597 0.24032802 -2.75665252 -3.63673319 0.65542536 -0.96331509 -7.00560513 -4.90713404 -0.01444052 0.34672215 -2.58224478 -2.01681486 2.30761552 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00163771-03 196697356 tox21-ror-cho-viability-p1 set1 4 0.01440154 0.67181701 3.44671969 0.84507273 5.73525942 0.30884069 0.2742068 4.00510164 -1.50334793 0.21532088 0.57692208 -1.1227553 4.59049424 3.38489867 0.73793526 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00319023-01 196697396 tox21-ror-cho-viability-p1 set1 4 -0.12779335 1.0179645 7.06763461 1.01176743 1.53426163 0.84415821 5.48222817 0.76610817 1.81647155 3.03264744 1.58203181 -0.0292271 3.46736257 -0.25708193 -0.13864972 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 171049-14-2 80274 170466632 A F Lotrafiban O=C(c1ccc2N[C@@H](CC(=O)O)C(=O)N(C)Cc2c1)N3CCC(CC3)C4CCNCC4 Tox21_113989 -NCGC00183853-01 196697400 tox21-ror-cho-viability-p1 set1 -2.4 33.4914596268 -36.528191472 1.5 -35.028191472 4.9549173134 0.9495982839 0.0000088223 3.97045947 6.59304866 -0.5189401 0.10917701 0.50544571 2.73481658 2.69082848 1.55593004 0.59171263 0.55461474 0.64135083 1.7681892 0.21322374 -0.68941352 -29.19015956 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 89419-40-9 4257 144206880 A A Mosapramine Clc5ccc6CCc1ccccc1N(CCCN2CCC4(CC2)C(=O)NC3CCCCN34)c6c5 Tox21_113329 -NCGC00160438-02 196697404 tox21-ror-cho-viability-p1 set1 4 -2.35758157 -1.05680578 -0.54879394 -1.65337008 0.24320421 1.1022587 -4.02770242 -1.82876152 -0.60633108 -1.10697985 -2.65295036 -1.01014 -0.71631847 1.23076322 -4.06591672 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79069-94-6 54339 170466176 A Fanetizole C(CNc1nc(cs1)c2ccccc2)c3ccccc3 Tox21_113086_1 -NCGC00018193-11 196697405 tox21-ror-cho-viability-p1 set1 4 -4.11301789 -0.28422102 -5.77047655 0.62999528 0.41279148 -4.83190842 -6.64560256 -2.8756263 0.28068836 -6.28675708 -4.17569387 0.11290053 0.94322444 0.11860145 -2.81107861 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54739-18-3 5324346 170464809 A Fluvoxamine FC(F)(F)c1ccc(cc1)C(\CCCCOC)=N\OCCN Tox21_110837_1 -NCGC00344562-01 196697467 tox21-ror-cho-viability-p1 set1 4 0.39746236 -0.10682283 0.52525079 0.76426187 0.56065449 0.57063286 -0.16745237 0.39007876 0.04117641 2.09433012 0.27352361 -3.53772262 2.77519509 2.16488167 2.89545215 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57470-78-7 42373 170465958 A Celiprolol hydrochloride Cl.CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(c1)C(C)=O Tox21_112722_1 -NCGC00255573-01 196700098 tox21-ror-cho-viability-p1 set1 4 0.3063785869 -4.645140748 2.5 -2.145140748 4.9549173134 0.504855087 0.1929260759 -0.58492684 4.8598337 4.68519161 -1.00011703 4.86083101 0.34650202 6.09966075 -0.47030076 -4.12351789 -4.28761729 0.68714978 -2.3568737 -2.38213893 -0.39073237 7.46038577 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2312-73-4 16834 144211930 A A N-Benzyl-9-(tetrahydro-2H-pyran-2-yl)adenine n3cn(C1CCCCO1)c4ncnc(NCc2ccccc2)c34 Tox21_301613 -NCGC00255771-01 196700085 tox21-ror-cho-viability-p1 set1 -2.4 61.130564862 -40.6799168288 -4 -44.6799168288 0.8999999999 0.6611201884 0.0576136693 -11.66550002 -6.67377037 -6.01752742 0.525883 -0.1820558 -5.77737276 -5.0419519 -1.85729296 -6.64836317 -10.24793755 -2.16921516 -5.59866539 -23.76497252 -11.16268413 -33.84842184 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2934-05-6 18048 144211689 Ac Ac 2,4-Diisopropylphenol CC(C)c1cc(ccc1O)C(C)C Tox21_301372 -NCGC00256037-01 196700087 tox21-ror-cho-viability-p1 set1 4 2.1689942904 4.9954257839 -0.4954257839 4.5 4.9549173134 0.5402171745 0.1453666725 1.78012192 1.3909047 -0.31649625 -1.94259218 -1.01568659 1.6428205 0.31748485 -6.66285482 -0.27929983 -0.6286455 7.3999578 3.89920154 4.63039387 1.76895008 5.55154924 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 136-30-1 546717 144212114 Ac Sodium dibutylcarbamodithioate [Na+].[S-]C(=S)N(CCCC)CCCC Tox21_301797 -NCGC00259466-01 196721237 tox21-ror-cho-viability-p1 set3 4 19.4295177126 12.2979947239 -10.3444584199 1.953536304 1.271561 0.4874437047 0.2080281418 -15.70371535 -8.81236489 -5.95948958 -6.70575803 -8.71590342 -13.76804536 -13.02269051 -12.80007007 -10.78340247 -6.39697968 -10.38547641 -6.86009491 -5.42237457 -0.87205308 -11.42349289 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.311E-7 7.405E-7 0.000001656 0.000003702 0.000008279 0.00001851 0.00004139 0.00009256 25377-73-5 32933 144209115 A A 3-(Dodecenyl)dihydro-2,5-furandione O=C1OC(=O)CC1C=CCCCCCCCCCC Tox21_201917 -NCGC00259283-01 196721226 tox21-ror-cho-viability-p1 set3 -3 76.9588215421 -65.526648816 -4.4999697 -70.026618516 4.9549173134 0.8890762263 0.0005376776 -7.58384263 -0.46459799 -3.96267527 -7.49746089 -2.25902178 -7.02315443 -5.8524217 -7.09344363 -5.47086796 -1.95433014 -6.54008126 -7.0811271 -5.28457328 6.64418157 -58.35551543 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 1918-16-7 4931 144208932 A B Propachlor CC(C)N(C(=O)CCl)c1ccccc1 Tox21_201734 -NCGC00259887-01 196721231 tox21-ror-cho-viability-p1 set3 4 -0.5767999 -4.5050681 0.37417302 7.90867549 1.22112468 1.01275696 -4.90062382 -7.60211411 0.03931935 2.81939791 -2.46630705 -0.34924122 -1.1212849 -0.74009962 1.81996753 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003673 0.0000082119999999 0.000018359999999 0.00004106 0.000091819999999 7287-19-6 4929 144209536 A A Prometryn CSc1nc(NC(C)C)nc(NC(C)C)n1 Tox21_202338 -NCGC00259169-01 196721236 tox21-ror-cho-viability-p1 set3 4 0.0038766984 17.858452072 -17.858452072 0 1.3987170999 0.5529405554 0.1331787922 -16.54871006 -7.99237123 -8.34808023 -5.6255159 3.77324911 1.06315384 3.36445971 -0.22831129 2.45306601 -0.57590005 3.30656716 -10.80332383 1.56372067 -6.31336892 3.81540858 1.185E-9 2.651E-9 5.927E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3129999999E-7 7.409E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009261 930-69-8 4110039 144208818 D Sodium benzenethiolate [Na+].[S-]c1ccccc1 Tox21_201620 -NCGC00259955-01 196721244 tox21-ror-cho-viability-p1 set3 4 -6.86091476 -4.25787533 -1.52280109 1.27011736 -4.08872607 -4.90979933 -5.9143294 -5.75398312 -4.84485446 -2.21799311 -4.45597434 -1.48159643 -4.73073348 -0.47916968 0.09510916 1.19E-9 2.661E-9 5.949E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003718 0.000008314 0.00001859 0.00004157 0.000092959999999 108-83-8 7958 144209604 AC Ac Diisobutyl ketone CC(C)CC(=O)CC(C)C Tox21_202406 -NCGC00259696-01 196721627 tox21-ror-cho-viability-p1 set3 4 -0.44892855 -4.67299118 -7.9816244 -3.10874979 -6.43220739 -11.36892888 -4.5259816 -1.09838695 -3.46968068 -0.62458583 -7.24940588 -2.97311286 -7.07433512 -1.82488245 -15.10992879 1.2849999999E-9 2.873E-9 6.425E-9 1.437E-8 3.213E-8 7.183E-8 1.606E-7 3.592E-7 8.031E-7 0.000001796 0.000004016 0.0000089789999999 0.000020079999999 0.000044899999999 0.0001004 7789-21-1 24603 144209345 Fluorosulfonic acid FS(=O)(=O)O Tox21_202147 -NCGC00258972-01 196721628 tox21-ror-cho-viability-p1 set3 4 27.2782538257 -12.0298415759 -2 -14.0298415759 0.6 0.4739679591 0.2035533804 -6.34186196 0.49587538 -1.35589386 4.93990806 -3.25173102 -5.44583255 -4.99027763 -4.71375092 -3.27818067 -1.62046071 -3.97351354 -4.6713953 -10.02486798 -7.96211522 -10.01504835 1.179E-9 2.6359999999E-9 5.8929999999E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.294E-7 7.367E-7 0.0000016469999999 0.0000036829999999 0.000008236 0.00001842 0.000041179999999 0.00009208 1689-84-5 15531 144208619 A A Bromoxynil Brc1cc(cc(Br)c1O)C#N Tox21_201421 -NCGC00259201-01 196721641 tox21-ror-cho-viability-p1 set3 -1.1 6.1317112275 -85.3416448844 -0.574961135 -85.9166060194 2.4063783767 0.9953612281 0 -2.52114937 0.07917772 4.48795872 -3.47343136 0.18202216 -0.91693539 -1.0217723 1.27262879 -0.94709952 -9.07697433 -16.97614537 -58.42776813 -79.2474927 -86.17092212 -86.26165263 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 117-80-6 8342 144208850 A D Dichlone O=C2c1ccccc1C(=O)C(Cl)=C2Cl Tox21_201652 -NCGC00253724-01 196717498 tox21-ror-cho-viability-p1 set2 4 18.8336317891 -24.514934188 2 -22.514934188 2.2526478767 0.9303254536 0.0000504814 3.44231933 0.35497449 3.4825361 2.74545472 4.2335164 4.53638619 -1.60045066 -0.043999 0.06323707 1.81422499 2.22350671 2.78847518 -2.49194577 -11.80215728 -19.59577849 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1584-62-9 74106 170466746 D F 2-Bromo-4'-chloro-2'-(2-fluorobenzoyl)acetanilide Clc1cc(c(NC(=O)CBr)cc1)C(=O)c2ccccc2F Tox21_113843 -NCGC00164605-02 196717100 tox21-ror-cho-viability-p1 set2 4 -1.77798473 -1.99152882 -4.27398093 -6.49784809 -0.72582168 0.97019567 -1.33533055 -3.00690595 -2.08914867 -2.15780656 -1.60210117 -2.92774178 -1.70524495 0.88504321 1.35347159 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 99464-64-9 2176 170466020 C Ampiroxicam O=C(OCC)OC(C)OC=2c1ccccc1S(=O)(=O)N(C)C=2C(=O)Nc3ccccn3 Tox21_112227_1 -NCGC00178830-05 196717102 tox21-ror-cho-viability-p1 set2 4 -2.79656795 1.14016517 0.90180011 -0.662486 -2.97460047 3.08238646 9.6347576 1.38125156 -1.88169646 -2.60895156 0.31248353 0.37963745 0.91291693 0.00068228 -2.77489164 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87-33-2 6883 170464980 F Isosorbide dinitrate [O-][N+](=O)O[C@H]1CO[C@@H]2[C@H](O[N+]([O-])=O)CO[C@H]12 Tox21_111317_1 -NCGC00090952-07 196717497 tox21-ror-cho-viability-p1 set2 4 0.5542592892 5.558803484 -2.558803484 3 4.9549173134 0.5315124994 0.1523866211 -0.70713363 -6.9803934 -7.96566957 0.60862275 0.87454801 -0.41490027 -2.78242444 -3.47338093 3.06007845 2.8156391 4.71903966 1.98518703 3.16999797 2.04439327 1.01337037 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00178213-05 196712621 tox21-ror-cho-viability-p1 set2 4 0.5308038637 -6.199508532 6 -0.199508532 4.9549173134 0.5183656396 0.163192315 1.36793335 7.03623526 6.83828896 7.95270586 6.32522386 1.46389823 8.8539317 6.2883328 6.51083451 -1.58995542 -1.54102623 0.51239079 6.44982889 -3.91625711 -2.04181262 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3200-06-4 312915 170465616 A Nafronyl oxalate O=C(O)C(=O)O.CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC3CCCO3 Tox21_110724_1 -NCGC00253678-01 196712614 tox21-ror-cho-viability-p1 set2 4 4.62465544 4.14614891 -1.08962348 -0.39804301 0.39206001 2.64425409 -2.42281266 -0.75389411 0.19576706 4.51263461 4.27793229 1.00120837 2.81398043 1.17901393 1.65097398 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64920-29-2 562087 170466749 F B Ethyl 2-oxo-4-phenylbutyrate O=C(OCC)C(=O)CCc1ccccc1 Tox21_113802 -NCGC00016741-09 196712617 tox21-ror-cho-viability-p1 set2 4 0.0021131682 -9.595156304 9.5 -0.095156304 4.9549173134 0.8142559133 0.0059332553 8.57895236 9.84483614 0.08984625 1.09030061 2.56286034 -1.26447527 1.93903292 -1.06559107 0.72242799 -1.41507531 1.40662678 -1.71218978 -0.8575612 0.54055492 -2.57929692 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 19387-91-8 5479 170465196 A Tinidazole O=S(=O)(CCn1c(cnc1C)[N+]([O-])=O)CC Tox21_110586_1 -NCGC00166121-03 196712619 tox21-ror-cho-viability-p1 set2 4 -5.81262337 -4.55613521 -5.6167554 -4.54093535 -4.80829186 -5.6944823 -2.27520723 -3.07847999 -2.13046451 -4.16698131 -2.39654097 -1.27827955 -3.550482 -8.16791956 -12.4208171 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1119-97-7 14250 170466276 A Tetradonium bromide [Br-].C[N+](C)(C)CCCCCCCCCCCCCC Tox21_112327_1 -NCGC00178575-05 196712622 tox21-ror-cho-viability-p1 set2 4 -0.74459375 -0.74654546 0.30761346 -0.45798144 0.67880108 -0.71009078 0.08377189 0.54226658 0.14855276 -1.40514093 -1.88084374 -1.60557236 -1.4308519 -0.00925382 -1.4720095 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26155-31-7 60196268 170465696 A Morantel tartrate Cc2ccsc2\C=C\C1=NCCCN1C.O=C(O)[C@H](O)[C@H](O)C(=O)O Tox21_110773_1 -NCGC00166075-02 196712625 tox21-ror-cho-viability-p1 set2 4 -5.38401922 -3.3384592 -6.75648067 -3.73656971 -7.15957708 0.18249964 -5.3382367 -2.63575378 2.13639007 0.98349627 1.66991782 0.43974884 -2.91820458 0.22774564 -5.17291569 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 586-98-1 11474 170466344 Z Piconol OCc1ccccn1 Tox21_112305_1 -NCGC00090962-05 196701826 tox21-ror-cho-viability-p1 set1 4 -0.14920336 -3.52776658 0.40614984 -0.56633756 1.05020611 -1.2191065 4.80214792 1.83516159 1.44208599 0.70981896 0.51141118 0.0055184 0.2513229 2.62672626 0.6734308 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00091839-03 196701418 tox21-ror-cho-viability-p1 set1 -2.4 54.4826732819 -29.3632369801 -1.8066455159 -31.169882496 1.8851180601 0.9501987293 0.0000083025 -4.16631667 -0.33421293 -0.25553793 -0.71174745 -1.01670021 -3.51539293 -4.0067177 -0.90558408 -0.8530911 -3.06424463 -3.19838009 -3.04761609 -5.00613968 -11.85840105 -23.47490208 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00091351-03 196701822 tox21-ror-cho-viability-p1 set1 4 -2.70882772 1.30108462 -0.20767352 -2.19274791 1.18343135 -1.69928012 -5.35885236 0.95217494 -1.7099952 1.83253986 -5.85424145 8.62326708 -0.6988404 -0.85523137 2.59165177 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00257825-01 196701825 tox21-ror-cho-viability-p1 set1 4 3.79334739 -1.73144891 -5.52983566 -1.81274144 1.09149167 0.37149451 0.27825401 5.95264885 -0.11465027 0.17662121 -1.04632889 -2.55414288 7.00029851 5.44814512 3.82321452 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.976E-8 6.656E-8 1.4879999999E-7 3.3279999999E-7 7.441E-7 0.0000016639999999 0.000003721 0.000008319 0.0000186 0.0000416 0.00009301 103-70-8 7671 144207469 D Formanilide O=CNc1ccccc1 Tox21_200271 -NCGC00258739-01 196701833 tox21-ror-cho-viability-p1 set1 -2.2 50.3408205241 -70.080697947 3.364140357 -66.71655759 1.78848746 0.9241286839 0.0000784013 -6.54092807 1.55223343 4.48205272 5.21833058 0.84237654 4.96527693 11.51316094 9.69847904 -0.07695186 5.11753807 4.83830374 -2.36620373 -8.44828385 -23.06345619 -51.20403192 1.216E-9 2.718E-9 6.078E-9 1.359E-8 3.0389999999E-8 6.795E-8 1.519E-7 3.3979999999E-7 7.597E-7 0.000001699 0.000003799 0.0000084939999999 0.000018989999999 0.00004247 0.00009497 630-16-0 61179 144208385 A A 1,1,1,2-Tetrabromoethane BrC(Br)(Br)CBr Tox21_201187 -NCGC00257613-01 196702239 tox21-ror-cho-viability-p1 set1 4 49.0024986748 11.376221256 -7.876221256 3.5 4.9549173134 0.4522357885 0.2233033389 -2.11459111 -5.489961 -4.6615243 -4.81730836 -13.13233216 -5.53004466 -13.23018438 -10.69326755 -5.91423123 -9.63436682 -10.5688813 -9.09146995 -9.71933763 -4.79203614 3.1496386 1.189E-9 2.6589999999E-9 5.946E-9 1.3289999999E-8 2.973E-8 6.647E-8 1.486E-7 3.3239999999E-7 7.4319999999E-7 0.000001662 0.000003716 0.000008309 0.000018579999999 0.000041549999999 0.0000929 171869-95-7 16212317 144207257 A A Palmatine chloride hydrate [Cl-].O.COc1cc2c3cc4ccc(OC)c(OC)c4c[n+]3CCc2cc1OC Tox21_200059 -NCGC00258301-01 196702242 tox21-ror-cho-viability-p1 set1 4 24.5842154718 -17.6870074199 1.5 -16.1870074199 1.4163171 0.7505851168 0.0193936951 3.34101895 0.41976246 2.72589959 -2.52845907 -0.47297135 0.11102691 1.42181284 3.34507237 6.30637908 1.90276935 -4.12005652 2.84210023 -9.06827073 -8.30493212 -14.73917285 1.19E-9 2.661E-9 5.951E-9 1.331E-8 2.975E-8 6.653E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.000003719 0.000008317 0.0000186 0.00004158 0.00009298 609-93-8 11872 144207945 A A 4-Methyl-2,6-dinitrophenol O=[N+]([O-])c1cc(C)cc([N+]([O-])=O)c1O Tox21_200747 -NCGC00159417-06 196726767 tox21-ror-cho-viability-p1 set3 -2.1 49.6956931991 -92.2796631617 -0.5280031859 -92.8076663476 2.1210667061 0.9569602633 0.0000036799 -0.70557664 -0.63559516 0.72838999 6.18331493 0.69508774 -0.07470661 2.36024441 0.30956481 -3.48813411 0 -14.87678095 -2.05945925 -10.49953401 -37.63330443 -74.09671693 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008409 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00168342-02 196729190 tox21-ror-cho-viability-p1 set3 4 -5.18262028 2.80704566 0.54667157 -3.04384376 3.0642246 -10.81485865 2.21103555 4.37937848 7.20734281 -8.59467568 -4.35986211 1.52298705 11.3698501 -2.26930096 -0.02060259 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00257647-01 196729592 tox21-ror-cho-viability-p1 set3 4 77.1936708215 -26.682921208 3 -23.682921208 4.9549173134 0.8221747234 0.0048489175 0.24154105 -0.25268834 2.88311694 5.38201941 4.27753962 0.87941577 0.03987909 0.76004123 5.06154895 3.61305377 3.83887781 3.01223944 6.8055063 5.0989744 -16.40243434 1.183E-9 2.644E-9 5.913E-9 1.322E-8 2.9559999999E-8 6.611E-8 1.4779999999E-7 3.305E-7 7.3909999999E-7 0.0000016529999999 0.0000036949999999 0.000008263 0.00001848 0.00004132 0.00009239 4759-48-2 5282379 144207291 I D 13-cis Retinoic acid CC=1CCCC(C)(C)C=1/C=CC(\C)=C\C=CC(/C)=C\C(=O)O Tox21_200093 -NCGC00164077-02 196727184 tox21-ror-cho-viability-p1 set3 4 -0.65067269 -1.18443407 -3.92818496 -3.70132868 -6.65929761 -1.63684602 -2.85811146 -1.0294908 2.5257617 2.27294452 2.519155 -1.49201175 1.97118627 -0.49308804 -6.17683236 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00164168-02 196727175 tox21-ror-cho-viability-p1 set3 4 1.40365096 -1.09399361 1.31189558 0.85459613 1.88992294 2.64412758 -1.42486281 -0.67640726 0.28514879 1.54953733 2.51100101 -0.9361399 -1.54363578 0.63295175 -3.49016684 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.000096319999999 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00256858-01 196727183 tox21-ror-cho-viability-p1 set3 4 1.92189371 3.6688202 2.03879229 0.42043583 2.25223612 0.60002092 -0.60030288 3.23906356 1.25172831 4.00195199 0.28945355 1.79074672 -0.80351379 -1.75624839 -0.41108207 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6378-65-0 22873 144212891 A Fc Hexyl hexanoate O=C(CCCCC)OCCCCCC Tox21_302574 -NCGC00257436-01 196727185 tox21-ror-cho-viability-p1 set3 4 -0.26950901 2.42132387 0.89884281 0.56349982 1.03817657 3.4781527 3.09338123 -1.15260966 2.29712486 3.24787857 -2.06430996 -0.41977059 3.37726498 1.2819966 -0.64142725 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-06-1 31283 144213827 A Fns Ethyl tetradecanoate O=C(CCCCCCCCCCCCC)OCC Tox21_303520 -NCGC00256951-01 196727186 tox21-ror-cho-viability-p1 set3 4 -3.42132832 -5.86192088 -21.85903356 0.69338272 -13.28711416 -21.14773155 0 -27.57294281 -2.22180019 0 0 -21.14933806 -10.74447129 -3.34638892 -4.1143121 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-83-8 7958 144213408 Fns Diisobutyl ketone CC(C)CC(=O)CC(C)C Tox21_303091 -NCGC00256595-01 196727191 tox21-ror-cho-viability-p1 set3 4 7.67394909 3.56164504 -0.37456647 -1.92792958 -9.90513503 0.34256748 -12.36637642 -3.59628494 -2.12475371 -1.84048489 -11.03624733 2.91627406 3.13915113 1.02135489 3.66857062 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3068-88-0 18303 144213305 F beta-Butyrolactone O=C1CC(C)O1 Tox21_302988 -NCGC00257492-01 196727590 tox21-ror-cho-viability-p1 set3 4 2.5810435 3.6601738 2.64819559 2.07501494 2.22724288 0.2332085 4.48139097 0.83220404 3.14570703 2.11381432 -0.92862756 3.2915278 4.44482447 2.01546404 -0.3444257 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 15214-89-8 65360 144213830 A A 2-Acrylamido-2-methyl-1-propanesulfonic acid O=C(NC(C)(C)CS(=O)(=O)O)C=C Tox21_303523 -NCGC00090686-07 196727596 tox21-ror-cho-viability-p1 set3 4 -0.88550084 2.67580587 -12.66626545 0 -7.41429431 -22.7781097 0 0 -14.8390566 -5.8392452 -6.26744189 -0.59969793 -5.61161441 -2.12754666 -0.24573399 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00164077-02 196727606 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -20.79012516 0.5 -20.29012516 4.0949729863 0.5343151158 0.1491349089 -1.13527539 -3.34222111 -0.31318415 0.25705233 -1.33690835 0.51607664 0.84946254 -2.88933975 -1.44057853 5.82908528 9.41228112 -2.42837169 -0.80135307 -0.91156446 -13.5751043 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00255432-01 196728007 tox21-ror-cho-viability-p1 set3 4 -2.86280394 -1.86148636 1.4520848 -1.24963737 -0.93828671 2.49574566 -1.639753 3.05987542 2.84509492 4.77118782 4.13139992 -0.84862892 1.25138162 -0.66935611 -1.23245418 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1320-07-6 57351929 144212179 Fns C.I. Acid Orange 24, monosodium salt [Na+].O=S([O-])(=O)c3ccc(/N=N/c2ccc(O)c(/N=N/c1ccc(C)cc1C)c2O)cc3 Tox21_301862 -NCGC00181034-03 196723225 tox21-ror-cho-viability-p1 set3 2.4 18.8336317891 20.5597358041 1.4402641959 22 1.331 0.8056380694 0.0070986012 5.3977627 -1.09607874 1.64202776 3.76459592 1.39962332 -1.77466555 -2.13311317 4.20630315 -1.14259223 4.18276295 3.18703528 4.1582951 7.96695945 10.08076863 19.02040148 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 145858-50-0 71454 170465610 A Liarozole Cl.Clc1cc(ccc1)C(c2ccc3ncnc3c2)n4ccnc4 Tox21_112683_1 -NCGC00183831-01 196723237 tox21-ror-cho-viability-p1 set3 4 0.2113168243 -17.3976933919 7.5 -9.8976933919 4.9549173134 0.5439987584 0.1400546589 7.3487938 15.96020557 15.01314162 7.9769316 -7.53216166 9.54261108 4.79688197 4.9830322 -11.6373764 -12.87102884 -17.83141116 3.85400063 -17.29892422 3.41489455 -15.35114813 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 642-83-1 688576 144206883 A D Aceglatone O=C1O[C@H]2[C@@H](OC(C)=O)C(=O)O[C@H]2[C@@H]1OC(C)=O Tox21_113332 -NCGC00160555-02 196723228 tox21-ror-cho-viability-p1 set3 4 -8.17228393 2.08299431 2.76750674 1.81808654 -2.19465936 1.79390794 -13.59445863 0.33090285 4.56975944 -0.07792947 1.8737925 0.31458604 -2.89555564 -2.9300603 8.533306 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16915-70-1 9570327 170466422 F Nifursol O=[N+]([O-])c2ccc(/C=N/NC(=O)c1cc(cc([N+]([O-])=O)c1O)[N+]([O-])=O)o2 Tox21_111895_1 -NCGC00247720-01 196723231 tox21-ror-cho-viability-p1 set3 4 0.3381766179 13.577889448 -7.577889448 6 0.9999999999 0.543944055 0.1562788882 -1.78485588 -12.65101988 0.05617518 -10.74454527 -16.73157454 0 0 0 -4.40400171 5.63138106 8.68906343 5.05455082 2.99957069 6.60498925 -28.03875256 1.164E-9 2.6039999999E-9 5.822E-9 1.302E-8 2.911E-8 6.509E-8 1.4549999999E-7 3.255E-7 7.2769999999E-7 0.0000016269999999 0.000003639 0.000008136 0.00001819 0.00004068 0.000090969999999 1422-07-7 15984075 144206437 A A Codeine hydrochloride Cl.COc1ccc2C[C@H]4N(C)CC[C@@]35[C@@H](Oc1c23)[C@@H](O)C=C[C@@H]45 Tox21_112884 -NCGC00253600-01 196723633 tox21-ror-cho-viability-p1 set3 4 7.91387279 -2.71389186 1.05561065 7.40794603 6.22431773 2.65639078 -2.37628878 3.07560634 -3.91941959 4.64485185 12.27996177 4.2192517 4.37307107 8.01814983 -7.11340221 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1225-20-3 23667529 170465058 F A Iothalamate sodium [Na+].O=C(C)Nc1c(I)c(c(I)c(c1I)C([O-])=O)C(=O)NC Tox21_113735 -NCGC00015989-17 196723637 tox21-ror-cho-viability-p1 set3 4 -5.92800281 -6.88295219 1.53929226 -7.26848183 5.35002516 12.59967073 -8.73853036 9.93445704 -6.01682214 -8.91736161 -5.08871328 -8.94005242 -4.35031312 -8.54722858 6.86545162 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-35-1 5426 170465323 A Thalidomide O=C1NC(=O)CCC1N3C(=O)c2ccccc2C3=O Tox21_110275_1 -NCGC00163930-04 196724045 tox21-ror-cho-viability-p1 set3 4 0.273060203 -5.510212312 3 -2.510212312 4.9549173134 0.6217359235 0.0962132743 -1.90224895 5.07046242 0.49126544 5.34381704 4.70271716 3.95059695 4.14793368 -0.9161903 -2.01070749 -4.12623974 -5.00851026 -0.30934895 -1.2507523 -1.86511939 0.88874568 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00260052-01 196724049 tox21-ror-cho-viability-p1 set3 4 0.5039050304 3.963398428 -4.463398428 -0.5 2.7867712143 0.3458708661 0.3266069287 -3.9979922 -3.71238511 1.0570216 -8.71949869 -4.66502515 -5.59614057 -7.1095377 -1.82738213 -3.01471091 1.13335293 3.6469454 -2.70696706 -4.43288497 -0.80687948 1.53437014 1.2169999999E-9 2.722E-9 6.086E-9 1.361E-8 3.0429999999E-8 6.804E-8 1.521E-7 3.402E-7 7.607E-7 0.0000017009999999 0.0000038039999999 0.000008505 0.000019019999999 0.00004253 0.00009509 98-82-8 7406 144209701 F Fc Cumene CC(C)c1ccccc1 Tox21_202503 -NCGC00091657-02 196724052 tox21-ror-cho-viability-p1 set3 4 0.94399578 8.56275761 -0.38457553 1.73597778 -8.23972422 -0.18817203 -1.16394934 3.45800725 1.36319557 0.71173548 1.0269561 -0.60870419 -6.39082081 0.46597921 7.98461037 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00260272-01 196724066 tox21-ror-cho-viability-p1 set3 4 0.0483416124 13.690004616 -12.690004616 1 0.5999999999 0.8188524441 0.0075996368 -13.90833718 -6.48548284 -10.57633021 -6.90769254 -8.6473306 -3.68046322 -5.71305926 -2.10385364 0.23798272 -1.19023685 3.32736046 -1.91108295 0.8232616 0.05351974 -4.64195599 1.2939999999E-9 2.8939999999E-9 6.4699999999E-9 1.447E-8 3.2349999999E-8 7.234E-8 1.6179999999E-7 3.617E-7 8.0879999999E-7 0.000001809 0.000004044 0.000009043 0.00002022 0.000045209999999 0.00010109999999 1166-52-5 14425 144209922 A A Dodecyl gallate Oc1cc(cc(O)c1O)C(=O)OCCCCCCCCCCCC Tox21_202724 -NCGC00024609-02 196697897 tox21-ror-cho-viability-p1 set1 4 0.22353606 4.40626898 -0.44799702 -0.39698824 -0.78943645 -0.33602184 -1.04506124 0.49594459 -6.3255492 1.82673681 -0.25156559 -0.76542708 1.76699447 1.66064748 3.22472993 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 70788-28-2 51173 170466495 A Flurofamide O=C(NP(N)(N)=O)c1ccc(F)cc1 Tox21_110912_1 -NCGC00344531-01 196697900 tox21-ror-cho-viability-p1 set1 4 1.25867017 5.09127988 2.200708 0.25798524 -2.13239992 2.04484075 0.24462379 3.511422 0.08696293 0.98496785 2.31505398 0.61391241 2.38159607 0.47273765 1.52663078 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23651-95-8 6999030 170465890 Z Droxidopa Oc1ccc(cc1O)[C@H](O)[C@H](N)C(=O)O Tox21_112167_1 -NCGC00255315-01 196728338 tox21-ror-cho-viability-p1 set3 4 2.56456831 -10.50205069 1.24349709 -0.07933002 0.71024814 9.46754513 8.7266059 -7.09583957 2.71788862 4.00699584 1.77543154 2.73760988 1.92101149 -2.26689619 6.3609625 7.255E-10 1.622E-9 3.628E-9 8.1119999999E-9 1.814E-8 4.0559999999E-8 9.069E-8 2.028E-7 4.535E-7 0.000001014 0.0000022669999999 0.00000507 0.00001134 0.00002535 0.00005668 65-30-5 2735101 144212671 A Fns Nicotine sulfate CN2CCC[C@H]2c1cnccc1.O=S(=O)(O)O.CN2CCC[C@H]2c1cccnc1 Tox21_302354 -NCGC00255706-01 196727910 tox21-ror-cho-viability-p1 set3 4 2.4336516212 19.594336268 2.405663732 22 0.5 0.5275954978 0.1540948259 11.02898806 -4.66194689 -0.21912911 -1.13722926 6.48492943 10.23801424 13.20943489 5.34183582 4.25704195 5.22590259 14.93650081 25.08122149 15.10621009 14.80210085 18.16856752 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 824-39-5 69985 144211778 A A Sodium 2-nitrophenolate [Na+].O=[N+]([O-])c1ccccc1[O-] Tox21_301461 -NCGC00256040-01 196727911 tox21-ror-cho-viability-p1 set3 4 -2.54630366 -1.68877764 2.43572196 -0.46956205 1.66596377 2.30226441 5.46753698 3.89332328 3.1813615 2.62004484 4.67960048 -0.81343462 -0.62980526 1.08180318 0.86705305 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 623-42-7 12180 144212138 Fns Methyl butyrate CCCC(=O)OC Tox21_301821 -NCGC00256041-01 196728334 tox21-ror-cho-viability-p1 set3 -2.1 54.4826732819 -100.9972863958 -0.0957367429 -101.0930231387 1.92824246 0.9549324753 0.000004747 -14.98144799 2.34823591 2.5721713 0.99909952 1.72374713 0.49443731 2.79471636 1.20142723 4.37174384 -0.4177889 0.98677917 -5.39145519 -11.906183 -35.04275899 -76.58562359 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3468-11-9 18980 144211774 F F 1H-Isoindole-1,3(2H)-diimine N=C1NC(=N)c2ccccc12 Tox21_301457 -NCGC00255847-01 196728735 tox21-ror-cho-viability-p1 set3 4 -1.15357015 -1.62201171 0.42676754 -1.18044904 1.05313182 0.10459275 2.760428 3.18762591 4.56365454 4.55641796 6.56966383 -0.32263185 1.36761841 -1.00830695 2.0092071 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2173-56-0 62433 144212529 A C Pentyl valerate O=C(CCCC)OCCCCC Tox21_302212 -NCGC00256141-01 196728739 tox21-ror-cho-viability-p1 set3 4 -0.0329952 -4.16605692 3.36936428 0.98693877 -0.03286654 -1.69426736 3.88127201 2.80847035 -2.05531358 -2.41491409 -1.34462053 0.3578914 -1.18423606 4.09599383 2.27070244 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7360-53-4 16700308 144212563 Ac Aluminum triformate O=CO[Al](OC=O)OC=O Tox21_302246 -NCGC00255196-01 196728743 tox21-ror-cho-viability-p1 set3 4 -0.27478096 -3.29560374 -3.72098261 -7.7830611 -0.00824104 -0.33548213 1.68659978 -3.56995062 -2.74784827 -4.18874502 -1.15727547 -7.47416714 -2.64601286 -3.51282886 -3.5833804 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33245-39-5 36392 144211650 A A Fluchloralin [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCCl)CCC)C(F)(F)F Tox21_301333 -NCGC00255753-01 196728746 tox21-ror-cho-viability-p1 set3 4 -24.95752759 -3.61721955 2.99139519 1.9693902 2.15642854 0.67953844 2.39349413 4.44321989 4.3370753 4.46276703 4.814339 -0.41748997 0.33908416 0.77712576 0.87187 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 872-10-6 13382 144212271 A Fns Pentyl sulfide CCCCCSCCCCC Tox21_301954 -NCGC00244580-01 196728751 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -15.752685792 1 -14.752685792 4.9549173134 0.8066233479 0.0070302013 1.96418305 0.4918807 -1.86559624 -1.47484365 3.15879591 -0.26170587 2.32352103 2.70485384 3.41458884 1.44659567 1.75274033 -0.52276125 0.90384868 1.25040704 -11.87723816 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00091284-03 196728753 tox21-ror-cho-viability-p1 set3 4 0 -4.64185251 0.25588295 0.46180714 4.19758061 -0.17108814 4.11100067 1.10473612 5.15385345 1.79908354 0.37249114 -1.63203083 -1.77690865 -1.70089307 -1.82567317 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00256112-01 196729151 tox21-ror-cho-viability-p1 set3 4 0.0384909 1.1720411 -1.17896373 -0.46356305 2.46626439 2.1597689 0.41536151 1.00230109 3.25184407 -3.37071628 -1.02390085 -2.72786644 -1.67140124 3.39106468 0.0304799 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2524-64-3 75654 144211982 F A Diphenyl phosphorochloridate ClP(=O)(Oc1ccccc1)Oc2ccccc2 Tox21_301665 -NCGC00258453-01 196715501 tox21-ror-cho-viability-p1 set2 -1.1 21.734065517 -83.7969980804 -0.868014023 -84.6650121034 4.5044702849 0.9960893079 0 1.07925242 -0.63894488 -0.75241112 0.52236407 -0.8721783 1.01303282 -1.88374909 -5.06591706 -1.8838678 -1.02111075 -0.34987422 -1.67427525 -30.05376305 -82.60088781 -81.98776782 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004128 0.00009231 598-91-4 69026 144208097 Bc Dibromonitromethane BrC(Br)[N+]([O-])=O Tox21_200899 -NCGC00254719-01 196715085 tox21-ror-cho-viability-p1 set2 4 -1.4961372 -0.07906907 0.78606143 -1.89902702 0.13504606 -2.22449147 -2.71625611 1.55433173 0.58692932 1.67910491 -0.17321919 2.33631129 3.90149889 4.1179031 -0.08532377 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18829-56-6 5283335 144211132 A F (E)-2-Nonenal CCCCCC\C=C\C=O Tox21_300815 -NCGC00258591-01 196730438 tox21-ror-cho-viability-p1 set3 4 0.7064929 1.23894335 1.88123244 2.5419873 1.03624441 -0.54244195 -0.09851813 1.40866694 0.30299484 2.41262148 0.81986067 2.37817736 3.07737396 2.32269893 0.08472137 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.9279999999E-8 6.5479999999E-8 1.464E-7 3.274E-7 7.3209999999E-7 0.000001637 0.00000366 0.000008185 0.0000183 0.000040929999999 0.00009151 622-20-8 69317 144208236 A A 1,2-Bis(phenylthio)ethane C(CSc1ccccc1)Sc2ccccc2 Tox21_201038 -NCGC00258494-01 196730432 tox21-ror-cho-viability-p1 set3 4 0.7406423 0.93595872 0.20546018 0.63115356 -2.50845374 0.78354092 0.3200342 1.20265204 -0.7300502 0.25034644 0 0 -8.24247726 -1.08251433 6.10812117 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.312E-7 7.405E-7 0.000001656 0.000003702 0.000008279 0.00001851 0.0000414 0.00009256 521-31-3 10638 144208138 A A Luminol Oc2nnc(O)c1cccc(N)c12 Tox21_200940 -NCGC00258280-01 196730433 tox21-ror-cho-viability-p1 set3 4 0.26906293 0.68967465 -0.04130073 0.10778192 0.14949725 0.43112809 0.92341233 2.91448396 4.37701443 -0.56548977 1.75331478 1.02077238 1.4860941 1.81701183 3.16766292 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 96-50-4 2155 144207924 A A 2-Aminothiazole Nc1nccs1 Tox21_200726 -NCGC00257712-01 196730435 tox21-ror-cho-viability-p1 set3 4 1.65161295 1.56285476 0.65146538 0.41183078 1.71386435 -1.50495386 2.47415094 0.32767043 1.95028389 -0.44381494 4.49589646 3.85949204 -3.35804183 -3.77905601 1.08183327 1.216E-9 2.718E-9 6.078E-9 1.359E-8 3.0389999999E-8 6.795E-8 1.519E-7 3.3979999999E-7 7.597E-7 0.000001699 0.000003799 0.0000084939999999 0.000018989999999 0.00004247 0.000094959999999 87-59-2 6893 144207356 A Ac 2,3-Dimethylaniline Cc1cccc(N)c1C Tox21_200158 -NCGC00257650-01 196730439 tox21-ror-cho-viability-p1 set3 4 9.79408246 2.30959945 0.82191671 1.918217 0.63592112 2.01299751 0.59038523 1.28749602 3.10558089 10.83267816 3.07258708 2.56033774 0.03082114 -0.00463044 2.78193504 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.976E-8 6.655E-8 1.4879999999E-7 3.3279999999E-7 7.441E-7 0.0000016639999999 0.00000372 0.000008319 0.0000186 0.00004159 0.00009301 529-33-9 10723 144207294 A A 1,2,3,4-Tetrahydronaphthalen-1-ol OC2CCCc1ccccc12 Tox21_200096 -NCGC00257852-01 196730441 tox21-ror-cho-viability-p1 set3 4 -0.018854 1.33107999 2.1012527 -3.73128224 -3.82570445 1.82771711 0.68531934 -0.94211221 -0.93790498 -21.33615678 0 0 -8.21828855 -2.62502093 -0.88401739 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.000018429999999 0.0000412 0.000092129999999 100-61-8 7515 144207496 A D N-Methylaniline CNc1ccccc1 Tox21_200298 -NCGC00163843-03 196730443 tox21-ror-cho-viability-p1 set3 4 -0.70129677 -6.17046444 -3.41349567 -2.17806919 -5.81626886 -2.38991226 -0.78955985 -3.54303513 -5.69550372 -1.95619393 -2.52889758 -1.63160112 -4.53314971 -1.27345634 -0.45952775 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00255376-01 196728835 tox21-ror-cho-viability-p1 set3 4 3.4376242854 7.205098568 -3.705098568 3.5 4.9549173134 0.352905383 0.3176091739 1.96674494 0.36083151 -2.05785819 -5.22863273 -1.70782836 2.21569733 -8.42371609 -11.83758214 -7.07023038 -5.37282632 0.45884603 7.16137279 -2.98119895 6.62802238 2.30005183 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 41859-67-0 39042 144212162 A A Bezafibrate O=C(NCCc1ccc(OC(C)(C)C(=O)O)cc1)c2ccc(Cl)cc2 Tox21_301845 -NCGC00256032-01 196728419 tox21-ror-cho-viability-p1 set3 4 0 3.71643294 -0.39043762 -0.45317326 1.62625521 1.07444628 5.02051459 0.09269306 1.50632001 -3.33226182 2.70450496 -1.95635424 1.22031313 -2.76404259 -2.56824676 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15362-40-0 27211 144212073 A A 1-(2,6-Dichlorophenyl)-2-indolinone Clc1cccc(Cl)c1N2c3ccccc3CC2=O Tox21_301756 -NCGC00255684-01 196728421 tox21-ror-cho-viability-p1 set3 -3 27.3060203028 -63.7662340679 -1.031586684 -64.7978207519 4.9549173134 0.9373191115 0.0000631432 -2.0902386 -1.25736002 -1.6504085 -0.23412385 1.14239727 -1.81109137 -0.33735077 1.49480987 0.6606257 2.81813689 -8.0038924 -6.91914927 -2.09979226 -67.49772995 4.97570434 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26172-54-3 117746 144212252 A A 2-Methyl-4-isothiazolin-3-one hydrochloride Cl.O=C1C=CSN1C Tox21_301935 -NCGC00263922-02 196698296 tox21-ror-cho-viability-p1 set1 4 29.8492948118 -15.7243873199 -0.5 -16.2243873199 4.5044702849 0.9179074395 0.0001210277 -0.10681064 -2.7571126 0.34681661 0.69324561 -1.44364643 0.26445999 -1.30242837 -0.92572622 1.18565341 0.32936576 -2.1013969 -0.91666894 -0.81526199 -3.03586529 -14.3536561 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 133099-07-7 444030 170465079 Ac Darifenacin hydrobromide Br.NC(=O)C(c1ccccc1)(c2ccccc2)[C@@H]3CCN(C3)CCc4cc5CCOc5cc4 Tox21_112636_1 -NCGC00095124-08 196697885 tox21-ror-cho-viability-p1 set1 4 2.03450952 5.71259835 2.92068063 0.72591504 5.35810995 0.99907182 -5.41255723 0.16099329 4.05078363 -0.64896297 0.85154705 0.04542211 1.37259297 0.57700201 0.76590086 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122320-73-4 77999 170465417 A Rosiglitazone CN(CCOc2ccc(CC1SC(=O)NC1=O)cc2)c3ccccn3 Tox21_111434_1 -NCGC00015851-10 196698280 tox21-ror-cho-viability-p1 set1 4 29.8492948118 -19.893965768 5 -14.893965768 3.2974983358 0.7947458966 0.0089461035 5.76658484 6.2672092 9.36175621 6.04988739 5.59636769 4.02770612 4.26727023 4.81447559 0.88673949 7.19621398 1.96770092 4.78961125 1.51818181 0.34272145 -11.16163814 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1225-55-4 6603149 170465077 A Protriptyline hydrochloride Cl.CNCCCC2c3ccccc3C=Cc1ccccc12 Tox21_110244_1 -NCGC00183019-01 196698290 tox21-ror-cho-viability-p1 set1 4 -0.10110842 -3.54549254 2.48682175 0.19990712 0.9386588 -0.35800668 1.27579386 2.06770589 0.2633489 1.21020818 6.44087309 1.67361075 1.08449459 1.16058562 -1.12132223 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97683-31-3 23663963 144206815 F A Egualen sodium [Na+].CC(C)c1cccc2c(cc(c2c1)S([O-])(=O)=O)CC Tox21_113264 -NCGC00163724-03 196698298 tox21-ror-cho-viability-p1 set1 -2.4 61.130564862 -26.892347216 0.5 -26.392347216 4.9549173134 0.8966980336 0.0003809548 -0.27387178 -2.0194908 -1.52705618 1.53158589 -3.05043693 0.00502189 1.59549514 4.81604408 3.23748213 -1.38487985 2.05459226 0.3693953 2.08898453 -2.75698061 -23.24362268 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00183046-03 196698300 tox21-ror-cho-viability-p1 set1 -2.4 33.4914596268 -21.7145963159 -2.5 -24.2145963159 4.9549173134 0.7842798137 0.0109464084 -7.09357641 -4.18171018 -4.33328168 -3.55145838 3.22654603 -4.50195512 -2.57352175 -0.15452406 -0.5234498 -1.96982149 -3.22652904 -0.83147014 -4.1845174 -2.98738449 -20.59549693 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 29216-28-2 4066 170465794 A Mequitazine c3ccc4Sc5ccccc5N(CC2CN1CCC2CC1)c4c3 Tox21_113648_1 -NCGC00182713-01 196698303 tox21-ror-cho-viability-p1 set1 -2.2 23.7101376556 -63.7773145228 -1.843258064 -65.6205725868 1.331 0.9468593849 0.0000117296 -0.1623824 -5.24813788 -4.06230487 -4.10828205 3.72002565 -2.50114878 -3.74776238 -0.21424955 -0.4643662 -0.83737074 -4.26504526 -14.05094243 -15.0683123 -26.25851356 -49.71255499 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 267243-28-7 156414 144206912 A A Canertinib Fc1ccc(cc1Cl)Nc4ncnc3cc(OCCCN2CCOCC2)c(NC(=O)C=C)cc34 Tox21_113361 -NCGC00254533-01 196698731 tox21-ror-cho-viability-p1 set1 4 -4.21194932 -3.35236474 -4.10988607 -6.03440213 -0.81334014 -2.78010332 -1.44673142 -7.44624468 0.51504729 -2.78973156 -4.98339626 0.49500643 -1.91479452 0.79937173 0.63246589 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-08-0 2955 144210875 A A Dapsone Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2 Tox21_300558 -NCGC00162052-05 196697901 tox21-ror-cho-viability-p1 set1 4 1.80235973 -0.25528452 -0.43531374 -0.59061811 4.59682344 2.62629773 4.03828427 0.04453372 0.02529478 -0.32789616 0.66697032 2.18525339 0.37691629 5.11657442 0.81056499 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60414-06-4 43261 170466567 I Amiprilose hydrochloride Cl.CN(C)CCCO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1C(O)CO Tox21_111382_1 -NCGC00025122-02 196698324 tox21-ror-cho-viability-p1 set1 4 1.14292261 -1.55885304 1.45635852 -6.32181173 -1.80669399 -5.89366315 3.15531683 2.09392441 -2.79793791 0.0796027 -5.45914569 -2.44720475 -5.57836083 0.29166339 -2.18820744 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77257-42-2 6433339 170466614 A Stilonium iodide [I-].CC[N+](CCOc1ccc(cc1)/C=C/c2ccccc2)(CC)CC Tox21_111247_1 -NCGC00257519-01 196698724 tox21-ror-cho-viability-p1 set1 4 0.01491199 3.67731483 1.65917618 -1.42420405 3.23890747 1.01946479 3.40341459 0.15431423 3.16358461 6.27485131 6.29701918 0.10520182 6.16181657 0.90337495 6.15950514 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-31-7 5759 144211064 A A 2,3,6-Trichlorobenzoic acid Clc1c(C(=O)O)c(Cl)ccc1Cl Tox21_300747 -NCGC00257020-01 196726589 tox21-ror-cho-viability-p1 set3 4 1.0558725 2.06530892 -1.38240923 -0.23668268 -0.35260908 -1.52873062 -1.03206644 1.67414287 -0.27828458 -2.91717726 0 -1.08281967 -1.09939003 -0.82263807 2.77756109 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-72-2 7026 144213646 B F 2,4,6-Tris(dimethylaminomethyl)phenol Oc1c(cc(cc1CN(C)C)CN(C)C)CN(C)C Tox21_303329 -NCGC00257188-01 196726578 tox21-ror-cho-viability-p1 set3 4 1.1173189 -1.65124275 1.48823024 -3.97246916 -1.41033807 1.27643494 2.4069445 0.33702943 0.26262854 0.74998618 2.92400046 -1.18453556 4.61998161 1.16249975 5.61209531 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-02-6 4445035 144213568 Ac Sodium phenolate [Na+].[O-]c1ccccc1 Tox21_303251 -NCGC00090942-03 196726584 tox21-ror-cho-viability-p1 set3 -2.1 48.5577336745 -83.3411171148 -0.770668178 -84.1117852928 2.7202212143 0.9882121273 2.2E-9 -1.38559497 -5.4493631 -1.14607585 0 -3.167882 -1.98056367 0 0 0 0 -2.3825699 1.40987474 -2.07141245 -34.52263386 -71.29680704 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00256499-01 196726588 tox21-ror-cho-viability-p1 set3 4 2.43172471 2.50280018 -0.59971 -4.34406636 1.46974653 0.5853909 2.08614489 0.09557748 -1.75292096 -1.53147567 -2.19331151 0.61582973 1.5455496 -0.21160412 1.78273313 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1570-64-5 14855 144213205 A A 4-Chloro-2-methylphenol Cc1cc(Cl)ccc1O Tox21_302888 -NCGC00257378-01 196726590 tox21-ror-cho-viability-p1 set3 4 -1.20514119 0.29596645 1.0483114 -0.56571522 1.41361873 1.65872062 -1.45830359 2.14386729 1.42172012 2.36649619 3.76319118 0.8494178 1.34489237 -0.25635015 4.79833999 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19248-13-6 87984 144213686 A A N-Ethyl-N-(3-methylphenyl)ethane-1,2-diamine CCN(CCN)c1cc(C)ccc1 Tox21_303371 -NCGC00258301-01 196729577 tox21-ror-cho-viability-p1 set3 4 0.17761198 0.64978093 4.11288382 0.21410145 0.15561781 1.12050839 -0.58533347 2.64659124 2.57093251 2.00780185 0.06795097 1.10066236 0.95131583 0.17011627 -4.69237856 1.19E-9 2.661E-9 5.951E-9 1.331E-8 2.975E-8 6.653E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.000003719 0.000008317 0.0000186 0.00004158 0.00009298 609-93-8 11872 144207945 A A 4-Methyl-2,6-dinitrophenol O=[N+]([O-])c1cc(C)cc([N+]([O-])=O)c1O Tox21_200747 -NCGC00256282-01 196729153 tox21-ror-cho-viability-p1 set3 4 12.1971512362 16.9289175879 -3.4289175879 13.5 2.4063783767 0.6041290829 0.1079328304 1.13693343 -12.02409799 -7.02292718 -5.28032957 0.54159464 -6.02804098 -0.98033824 -1.43987857 0.92127503 1.35714392 -5.06674316 -1.48773243 12.65399681 10.30534277 5.51208422 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 31983-27-4 1551245 144211590 I Fns (2Z)-3,7-Dimethylocta-2,6-dienenitrile C\C(C)=C\CCC(/C)=C\C#N Tox21_301273 -NCGC00255460-01 196729166 tox21-ror-cho-viability-p1 set3 4 5.2120834304 -9.8161616879 4 -5.8161616879 2.4063783767 0.4014663312 0.2880131014 -4.91427525 2.20911588 4.3172988 6.44359545 4.72724292 4.98157771 6.15639055 7.8854668 -2.45756653 6.20533736 5.12382501 2.32386157 -6.93013474 -3.39594247 0.93225267 5.81E-10 1.299E-9 2.9049999999E-9 6.496E-9 1.4529999999E-8 3.248E-8 7.263E-8 1.6239999999E-7 3.6309999999E-7 8.12E-7 0.000001816 0.0000040599999999 0.0000090779999999 0.0000203 0.00004539 5908-99-6 656678 144212490 A A Atropine sulfate monohydrate O.CN3[C@H]1CC[C@@H]3C[C@@H](C1)OC(=O)C(CO)c2ccccc2.O=S(=O)(O)O.OCC(c1ccccc1)C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)N3C Tox21_302173 -NCGC00258743-01 196729573 tox21-ror-cho-viability-p1 set3 -2.4 69.2877332643 -35.112515752 -3.389796384 -38.502312136 3.1319983358 0.9478527253 0.0000106501 -2.06524161 -4.6731132 -2.95201619 -2.35910121 -3.78704258 -4.92273228 -0.32483032 -6.03687422 -4.37715584 -3.18787225 -1.16132723 -1.45281617 -4.81052406 -9.37590922 -28.75192678 1.19E-9 2.661E-9 5.95E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003719 0.000008315 0.00001859 0.00004158 0.00009297 622-78-6 2346 144208389 D Benzyl isothiocyanate S=C=N\Cc1ccccc1 Tox21_201191 -NCGC00258374-01 196729991 tox21-ror-cho-viability-p1 set3 4 1.74465754 -1.23757636 1.61288974 -7.48708232 -0.86931904 2.27452123 2.09797338 -0.44028624 -0.70071807 11.55795864 0.94629151 0.5395136 1.69514233 1.48400417 4.64949174 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.484E-7 3.317E-7 7.4179999999E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.000041469999999 0.000092719999999 536-90-3 10824 144208018 A A 3-Methoxyaniline Nc1cccc(OC)c1 Tox21_200820 -NCGC00258540-01 196730403 tox21-ror-cho-viability-p1 set3 4 3.0264354214 -13.0654631519 2 -11.0654631519 2.4063783767 0.6662565492 0.054889018 0.3139912 3.97798424 3.97588657 2.39614827 0.66244397 4.03220889 2.41524017 0.42407631 -0.57237007 -0.54023389 -2.08860033 -22.13788596 -5.04688484 -9.8047654 -8.48235299 1.1679999999E-9 2.612E-9 5.8409999999E-9 1.3059999999E-8 2.92E-8 6.53E-8 1.4599999999E-7 3.265E-7 7.3009999999E-7 0.0000016329999999 0.0000036509999999 0.000008163 0.00001825 0.00004081 0.00009126 521-18-6 10635 144208185 A A 5alpha-Dihydrotestosterone O=C3C[C@@H]4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)CC[C@@H]12)[C@@]4(C)CC3 Tox21_200987 -NCGC00091080-03 196730409 tox21-ror-cho-viability-p1 set3 4 7.6958821542 -10.750198856 4 -6.750198856 3.5117481694 0.5256140652 0.1726606717 0.28796782 1.56158014 1.63575719 11.79543948 7.94358181 7.14252206 3.53224853 0.14035876 -0.8388376 8.81154274 1.50330165 -1.15463597 -8.54183238 -4.93317042 1.40996677 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00256880-01 196707995 tox21-ror-cho-viability-p1 set1 4 2.95398332 2.5300992 0.37023185 2.58242675 3.49102363 -1.74146923 3.21002596 -1.46528708 0.67509344 -0.85510712 1.35025177 0.81512491 2.35234572 2.82913974 2.58293938 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 67028-40-4 4047281 144212951 A A (4-Methylphenoxy) acetic acid ethyl ester O=C(COc1ccc(C)cc1)OCC Tox21_302634 -NCGC00256779-01 196707997 tox21-ror-cho-viability-p1 set1 4 4.66372987 0.38236944 1.94916102 7.97879552 -0.58324461 3.63536686 -0.60804775 3.42131259 0.23714926 4.68884485 6.17108801 8.33192752 6.67775855 5.07601119 0.66117228 9.2299999999E-10 2.064E-9 4.615E-9 1.0319999999E-8 2.308E-8 5.16E-8 1.154E-7 2.58E-7 5.7689999999E-7 0.00000129 0.000002884 0.00000645 0.00001442 0.00003225 0.00007211 911217-00-0 60196433 144212843 A A Ammonium glycyrrhizinate trihydrate [NH4+].O.O.O.O=C(O)[C@@]6(C)CC[C@]7(C)CC[C@]5(C)C(=CC(=O)[C@H]4[C@@]5(C)CC[C@@H]3[C@]4(C)CC[C@H](O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C([O-])=O)[C@@]3(C)C)[C@@H]7C6 Tox21_302526 -NCGC00259675-01 196708401 tox21-ror-cho-viability-p1 set2 4 69.7071642489 -14.955312952 2 -12.955312952 4.9549173134 0.6327716435 0.0753851312 8.18464164 0.00018832 -0.47177216 2.22921597 4.09662562 4.6798526 -1.08668854 0.17969424 2.79176308 4.01481454 -0.45472849 2.38079549 1.51021763 1.7907586 -10.37942746 1.196E-9 2.6749999999E-9 5.982E-9 1.338E-8 2.9909999999E-8 6.6879999999E-8 1.496E-7 3.344E-7 7.478E-7 0.0000016719999999 0.0000037389999999 0.00000836 0.00001869 0.000041799999999 0.00009347 12645-31-7 14050 144209324 A F 2-Ethylhexyl phosphate OP(O)(=O)OCC(CCCC)CC Tox21_202126 -NCGC00257846-01 196702849 tox21-ror-cho-viability-p1 set1 4 20.9640941521 6.5614349479 -2.0614349479 4.5 4.9549173134 0.3147678748 0.3554143598 0.06753646 -11.30119579 -3.48873545 -0.72891842 -0.04510054 0.48799541 -0.21475686 0.2016294 -6.59660766 0.4089991 0.29989508 -4.14179992 -0.0321204 4.45320739 3.88885245 1.1469999999E-9 2.564E-9 5.734E-9 1.282E-8 2.867E-8 6.411E-8 1.434E-7 3.206E-7 7.168E-7 0.000001603 0.000003584 0.0000080139999999 0.00001792 0.00004007 0.0000896 1330-20-7 7929 144207490 FNS Xylenes Cc1cccc(C)c1 Tox21_200292 -NCGC00255100-01 196699125 tox21-ror-cho-viability-p1 set1 4 68.5896218971 12.5502500239 -2.0502500239 10.5 4.9549173134 0.7056649817 0.0363837376 -2.52850481 -0.45975831 -2.9276484 -5.04187502 -3.90168474 -2.24333202 -0.68120702 -3.58373822 -1.198837 -2.72108311 -2.40916394 0.27496379 1.55977268 -2.32567528 8.2961867 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10402-33-2 25238 144211520 C C Eugenyl phenylacetate COc2cc(ccc2OC(=O)Cc1ccccc1)CC=C Tox21_301203 -NCGC00254314-01 196698698 tox21-ror-cho-viability-p1 set1 4 27.3060203028 -18.15004076 1 -17.15004076 4.9549173134 0.8442178031 0.0041171645 -0.49352763 0.52319572 1.30403007 2.88361189 1.86647385 5.10976222 1.72826247 0.29140563 1.48583491 -2.04606489 -0.98114695 -0.52093956 1.32462367 -15.9583673 -7.11150785 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 53894-23-8 104635 144210956 AC Triisononyl trimellitate CC(C)CCCCCCOC(=O)c1cc(C(=O)OCCCCCCC(C)C)c(cc1)C(=O)OCCCCCCC(C)C Tox21_300639 -NCGC00254159-01 196698714 tox21-ror-cho-viability-p1 set1 4 -0.18186979 -2.00542907 0.59033749 0.07527435 -0.28240623 -0.05588927 2.46794576 2.18695144 -0.67997779 0.90148653 -0.47892898 1.88450832 3.63135481 2.64614572 2.94714072 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-55-6 1030 144210326 A A 1,2-Propylene glycol CC(O)CO Tox21_300006 -NCGC00090704-03 196699123 tox21-ror-cho-viability-p1 set1 4 -0.83486637 -3.07018058 -2.45929583 0.07509149 -3.36868568 -3.87472438 -0.71155192 -7.11874099 -0.62708046 -0.14937537 -4.50824994 0.61787561 -2.29458033 -2.81593065 -7.3503148 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00254474-01 196699532 tox21-ror-cho-viability-p1 set1 4 1.05595377 -0.305398 -0.27812146 1.68040721 -2.14929694 0.17016622 2.75582588 0.72734006 0.64146437 1.81013655 -0.82762654 0.09388169 4.0770682 1.59470458 5.6620348 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-87-5 7111 144210723 A A Benzidine Nc1ccc(cc1)c2ccc(N)cc2 Tox21_300405 -NCGC00253997-01 196699538 tox21-ror-cho-viability-p1 set1 4 -6.0262938 -0.42664607 0.13727369 0.97432777 0.41028276 0.14045292 -1.07584382 0.41178906 7.96531721 0.01188171 -5.72949262 0.53047878 4.73330987 4.92280794 0.28593075 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 556-52-5 11164 144210621 F Glycidol OCC1CO1 Tox21_300301 -NCGC00254740-01 196699944 tox21-ror-cho-viability-p1 set1 4 3.19444914 -2.14032696 -1.50201208 -1.89415519 -1.88350516 -2.18391222 1.13555943 1.50774737 3.1375409 -3.02019445 1.49796553 5.05549707 3.04423789 1.51131766 -8.63384285 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33956-49-9 1787910 144211153 FNS Codlelure C\C=C\C=C\CCCCCCCO Tox21_300836 -NCGC00254407-01 196699964 tox21-ror-cho-viability-p1 set1 -3 61.130564862 -50.924597997 -0.798471469 -51.723069466 4.5044702849 0.9477522493 0.0000107037 2.96640559 -4.3715465 2.55799969 0.51133774 0.09755931 -4.6040829 -2.83594642 -0.16614313 -6.01451055 0.57503232 1.66615493 1.485452 -1.86347252 -7.79406606 -45.0183091 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 158081-99-3 9867257 144210786 A F CP-105696 O=C(O)C1(CCCC1)c2ccc5c(c2)OC[C@H](Cc3ccc(cc3)c4ccccc4)[C@H]5O Tox21_300468 -NCGC00255561-01 196700372 tox21-ror-cho-viability-p1 set1 4 -0.97387291 -2.1087195 0.1857309 4.31259371 3.11004294 -0.87018311 2.8845452 -2.31361196 2.90720296 3.83767602 0 4.61154648 -1.79884182 1.49943272 2.65906514 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 644-64-4 12572 144212172 A A Dimetilan O=C(N(C)C)n1nc(OC(=O)N(C)C)cc1C Tox21_301855 -NCGC00255343-01 196700377 tox21-ror-cho-viability-p1 set1 4 1.4966331 -0.06339312 0.25872261 0.94729366 0.11670552 1.96033749 -1.90653914 2.01278206 1.10188029 0.01115512 0.23102367 2.54047756 1.56240846 6.5501322 3.91786515 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-14-1 3516 144212411 A A Guaifenesin OCC(O)COc1ccccc1OC Tox21_302094 -NCGC00255717-01 196700380 tox21-ror-cho-viability-p1 set1 4 -1.10131007 -3.66516419 -3.39113262 -3.33318656 -4.25367303 0.73829055 -0.82495009 -1.91507514 -3.97932869 2.26118906 0.70912802 -0.43149727 -0.00993353 1.33360286 2.29820982 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 780-69-8 13075 144212485 D F Triethoxy(phenyl)silane CCO[Si](OCC)(OCC)c1ccccc1 Tox21_302168 -NCGC00255445-01 196700787 tox21-ror-cho-viability-p1 set1 4 -0.30254064 -0.14882158 0.44575446 -18.13634624 -7.97117242 0.68150187 -0.78077638 0.5680424 -1.24791781 -7.57711608 0.92522766 -8.87105664 0.78077339 5.22170882 4.02432896 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 24650-42-8 90571 144212467 A A 2,2-Dimethoxy-1,2-diphenylethanone COC(OC)(C(=O)c1ccccc1)c2ccccc2 Tox21_302150 -NCGC00257029-01 196727417 tox21-ror-cho-viability-p1 set3 4 6.93453675 6.99353822 0.36641536 7.66328741 2.15611438 0.28704316 9.47499185 0.64595797 8.48410553 -11.84616694 -12.45893371 7.00568149 0.78556943 7.34386408 8.63554129 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-84-2 8141 144213465 Fns Nonane CCCCCCCCC Tox21_303148 -NCGC00257392-01 196727418 tox21-ror-cho-viability-p1 set3 4 -2.10401041 -5.28912418 -3.86297135 -3.43505869 -0.98990496 1.60397633 1.83805061 3.20739011 -2.61536079 1.90971355 1.9097333 2.09947167 1.49756046 3.2344728 3.15742597 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7785-26-4 440968 144213896 Fns (-)-alpha-Pinene CC2(C)[C@H]1CC=C(C)[C@@H]2C1 Tox21_303591 -NCGC00256422-01 196726995 tox21-ror-cho-viability-p1 set3 4 1.38700162 -2.14539471 1.75499075 -0.18456691 -0.39059106 3.84075116 5.63580425 6.51960322 4.24683841 4.37749739 2.75205873 -0.60483308 -0.18493231 -2.69199186 0.18385935 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55268-74-1 4891 144213244 A A Praziquantel O=C2CN(CC1c3ccccc3CCN12)C(=O)C4CCCCC4 Tox21_302927 -NCGC00257153-01 196727402 tox21-ror-cho-viability-p1 set3 4 -0.10092317 1.25795401 -2.09739227 -6.41313743 -7.14151075 -0.67439784 -1.54062512 -12.37204076 -6.16447989 -0.97611731 -8.02959769 0.48039852 1.87229857 -0.01001253 0.28162298 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 68-11-1 1133 144213623 A Thioglycolic acid O=C(O)CS Tox21_303306 -NCGC00255843-01 196727845 tox21-ror-cho-viability-p1 set3 -2.4 30.6067041936 -36.924259764 -0.5 -37.424259764 0.8999999999 0.9289564885 0.0000557108 1.31427733 -2.51212535 -0.86177488 -3.23299178 -0.64379602 -4.03722295 3.09239186 -0.27296684 -0.68161765 -2.85097738 -3.44791409 -14.11484625 -14.08537836 -19.04488644 -29.52021647 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 203313-25-1 9969573 144212747 A A Spirotetramat O=C(OCC)OC2=C(C(=O)N[C@@]12CC[C@H](CC1)OC)c3cc(C)ccc3C Tox21_302430 -NCGC00255222-01 196728237 tox21-ror-cho-viability-p1 set3 4 3.8570778872 -14.147159864 -2 -16.147159864 0.8999999999 0.7980687843 0.0083323201 1.27623476 -4.7054958 -2.28003704 -4.16135923 -0.80613513 -4.6949397 -4.10508882 -3.56553987 -3.79271423 -8.46435963 -3.24400642 -14.75175852 -15.12263322 -13.95948415 -14.29576232 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 37076-68-9 5386 144212129 A A Tegafur FC1=CN(C(=O)NC1=O)C2CCCO2 Tox21_301812 -NCGC00255624-01 196728238 tox21-ror-cho-viability-p1 set3 4 9.6885416101 6.9477425479 -2.4477425479 4.5 4.4494702849 0.5245495517 0.1581166498 1.41325493 -1.62787601 0.42192554 -1.4317608 -9.12311879 -0.68168294 -3.69860506 -0.51962051 -0.5716691 -6.34678788 -3.96343768 0.26256101 4.33862526 6.31729006 3.07733853 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55117-15-2 108675 144211947 A F 1-Chloro-2-(chloromethyl)-3-fluorobenzene ClCc1c(F)cccc1Cl Tox21_301630 -NCGC00255311-01 196728249 tox21-ror-cho-viability-p1 set3 4 2.06831255 -1.71472633 -0.11249451 7.44071326 -0.02187287 5.49830123 -1.18937271 -4.20648826 -2.63437907 9.49936084 -7.81254767 11.61239056 10.95534809 -4.95027408 2.47170622 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2781-11-5 17722 144212211 D Diethyl((diethanolamino)methyl)phosphonate O=P(CN(CCO)CCO)(OCC)OCC Tox21_301894 -NCGC00255378-01 196728656 tox21-ror-cho-viability-p1 set3 4 2.1689942904 7.0556678079 -2.0556678079 5 4.9549173134 0.3814321455 0.2900650718 1.06839928 1.36377108 1.30600916 -2.49112348 -2.5253597 -3.53899304 -7.09995706 1.66013468 -8.79638984 -2.23891351 11.6560025 -2.78096654 0.65239144 7.73352563 8.54921545 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4802-20-4 20936 144212212 F F Dipentenedimercaptan CC1CCC(CC1S)C(C)CS Tox21_301895 -NCGC00255524-01 196728661 tox21-ror-cho-viability-p1 set3 -1.1 27.3060203028 -85.4301061607 1.8257282735 -83.6043778872 4.9549173134 0.9793510163 5.71E-8 4.36179832 -3.0182339 3.23470487 0.30541097 -0.32816182 3.95228357 3.05770864 11.52035817 -0.63360077 2.91868262 2.67040677 -7.3633353 -8.00916966 -76.44418259 -81.96507636 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96686-51-0 2097895 144212298 A C 2-Chloro-N-(2-methyl-4-bromophenyl)acetamide Brc1cc(C)c(NC(=O)CCl)cc1 Tox21_301981 -NCGC00255309-01 196729072 tox21-ror-cho-viability-p1 set3 -2.4 24.3365162115 -24.6063031399 0.5 -24.1063031399 2.9522712143 0.8350304958 0.003463467 0.63659982 -1.90880778 -3.59988608 -4.21552159 -1.08919392 -1.3001672 6.63137041 -1.69871813 7.35984724 0.06423354 5.73773078 -0.04713119 -8.20971378 -18.10206614 -25.08858595 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1689-83-4 15530 144211647 A A Ioxynil Ic1cc(C#N)cc(I)c1O Tox21_301330 -NCGC00255409-01 196729089 tox21-ror-cho-viability-p1 set3 -1.1 7.911301815 -65.5385539328 1.9368226274 -63.6017313054 1.5385888099 0.9760238219 1.349E-7 0 -3.64765349 5.70433927 2.86215352 4.5078406 -5.43526137 7.4249593 -0.22197457 7.43832068 -3.92843582 -12.58363892 -29.95231964 -47.66238681 -57.2701481 -63.82522677 1.097E-9 2.4529999999E-9 5.486E-9 1.2269999999E-8 2.7429999999E-8 6.133E-8 1.371E-7 3.0669999999E-7 6.857E-7 0.0000015329999999 0.0000034289999999 0.000007667 0.00001714 0.000038329999999 0.000085709999999 115-39-9 8272 144212397 A Bromophenol blue Brc1cc(cc(Br)c1O)C3(OS(=O)(=O)c2ccccc23)c4cc(Br)c(O)c(Br)c4 Tox21_302080 -NCGC00260516-01 196724055 tox21-ror-cho-viability-p1 set3 4 -1.09996564 2.62436438 -7.15883755 -1.53809706 -7.47325091 9.33290776 -4.54240957 -5.8239356 -7.331479 -1.35413445 -2.22777075 -3.5516504 -0.89263537 -3.4938568 -0.63437032 1.1989999999E-9 2.6819999999E-9 5.9959999999E-9 1.3409999999E-8 2.998E-8 6.704E-8 1.4989999999E-7 3.352E-7 7.495E-7 0.000001676 0.000003748 0.00000838 0.000018739999999 0.000041899999999 0.000093689999999 5470-11-1 443297 144210168 Hydroxylamine hydrochloride Cl.NO Tox21_202970 -NCGC00254778-01 196699541 tox21-ror-cho-viability-p1 set1 4 -0.35176802 -4.76000436 -0.15285783 -0.53147138 -2.60868914 -2.82756422 1.60953007 0.01771902 -0.0182079 -3.61296092 2.1441073 0.92548204 4.09082717 1.21721506 1.33563794 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 30560-19-1 1982 144211191 A A Acephate O=C(C)NP(=O)(OC)SC Tox21_300874 -NCGC00254002-01 196699546 tox21-ror-cho-viability-p1 set1 4 -5.04779129 0.17880045 0.56233741 -0.27858076 0.13111064 -6.21808256 -0.16999498 -8.2902879 -0.26333784 -0.38156191 1.02220699 -8.40992016 -6.58869967 -6.25470267 -1.07191997 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-49-0 7813 144210488 A Fc 4-Methylaniline Cc1ccc(N)cc1 Tox21_300168 -NCGC00254540-01 196699954 tox21-ror-cho-viability-p1 set1 -2.2 54.4826732819 -71.8570319546 -1.7220542769 -73.5790862315 2.1876167061 0.9934243239 1E-10 -0.22180204 -2.53546094 -1.38204079 -1.62629293 -0.04207183 0.34244714 -0.68073864 -3.53117292 -2.52717888 -2.56984811 -2.19661912 -4.79692155 -7.23434085 -26.17027113 -56.87809563 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 169590-42-5 2662 144210916 A A Celecoxib NS(=O)(=O)c1ccc(cc1)n3nc(cc3c2ccc(C)cc2)C(F)(F)F Tox21_300599 -NCGC00015656-12 196723651 tox21-ror-cho-viability-p1 set3 4 0.0298492948 9.4846718319 -3.4846718319 6 4.9549173134 0.5179300687 0.1627779063 0.47801935 4.29959972 -9.57055986 -6.27091278 -5.22979319 3.3214351 0.84548244 3.10388689 9.92197737 9.22000998 8.21763614 4.05159126 3.04204241 2.47606786 11.68066457 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 24219-97-4 4184 170465596 A Mianserin CN1CC2N(CC1)c4ccccc4Cc3ccccc23 Tox21_110191_1 -NCGC00015686-11 196723652 tox21-ror-cho-viability-p1 set3 4 33.4914596268 21.6746592199 -0.6746592199 21 3.2474983358 0.5549073914 0.1317461887 -5.25194078 1.53886839 -2.74493317 -5.11782643 1.51278083 -0.91929307 -6.39554935 -5.7246977 4.93303237 2.58895084 5.15140066 -1.96421198 2.59591397 2.24716495 15.45522702 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16662-46-7 119442 170465991 A Gallopamil hydrochloride Cl.COc1c(cc(cc1OC)C(C#N)(CCCN(C)CCc2ccc(OC)c(OC)c2)C(C)C)OC Tox21_110196_1 -NCGC00260500-01 196724047 tox21-ror-cho-viability-p1 set3 4 -5.17315564 2.24913752 4.79855323 2.60485077 9.41586273 6.51534233 4.29194936 7.70619896 -5.67381055 -1.6357997 7.61269568 5.36239647 -3.96280131 2.7158122 1.40420714 1.214E-9 2.7139999999E-9 6.0679999999E-9 1.357E-8 3.034E-8 6.7849999999E-8 1.517E-7 3.3919999999E-7 7.586E-7 0.000001696 0.000003793 0.0000084809999999 0.00001896 0.000042399999999 0.000094819999999 994-28-5 70438 144210152 Fns Triethylgermanium chloride CC[Ge](Cl)(CC)CC Tox21_202954 -NCGC00260038-01 196724058 tox21-ror-cho-viability-p1 set3 4 -15.58426156 -5.73272669 -10.96236243 -4.04157244 -6.20835529 -10.50540272 0.7830878 0.51429157 0.92607109 1.73605943 0.80674735 -0.26403684 -5.99777243 -14.79751539 -21.33928589 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 12083-48-6 82917 144209687 Fns Bis(cyclopentadienyl)vanadium chloride Cl[V](Cl)(C1C=CC=C1)C2C=CC=C2 Tox21_202489 -NCGC00091351-03 196724059 tox21-ror-cho-viability-p1 set3 4 9.41526225 4.99660082 4.94724851 11.1738444 7.31935966 6.9977812 6.4101455 5.89942855 2.86050677 4.87191731 5.32816932 6.69006732 5.85646514 4.96773027 9.01551721 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00357053-01 196724061 tox21-ror-cho-viability-p1 set3 4 2.0587789877 15.6848542079 -6.1848542079 9.5 0.4 0.679432443 0.0482979214 -8.09791366 -1.6884914 -2.56506286 -6.67811702 -9.32071184 -4.79380034 -4.89711872 -0.14694001 2.18593106 -0.85048216 0.20012755 -0.46620214 0.91955142 3.73274166 6.98809124 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 6379-73-3 80790 251919813 A Carvacryl methyl ether Cc1ccc(cc1OC)C(C)C Tox21_303748 -NCGC00260342-01 196724064 tox21-ror-cho-viability-p1 set3 4 -5.89852592 -3.88139824 -4.50971683 -2.48910249 0.7441318 -2.03812747 -1.06833299 0.15634877 0.6726489 3.99849402 0.18651875 -0.29071765 -3.76543479 -2.05124688 -2.21690567 1.14E-9 2.5489999999E-9 5.6989999999E-9 1.2739999999E-8 2.849E-8 6.371E-8 1.4249999999E-7 3.1859999999E-7 7.123E-7 0.0000015929999999 0.0000035619999999 0.000007964 0.000017809999999 0.00003982 0.00008904 70356-09-1 51040 144209994 A A 1-(4-tert-Butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione COc1ccc(cc1)C(=O)CC(=O)c2ccc(cc2)C(C)(C)C Tox21_202796 -NCGC00016572-12 196697903 tox21-ror-cho-viability-p1 set1 4 1.0590929458 -6.114338768 -0.5 -6.614338768 4.9549173134 0.4098185056 0.2806064997 -1.12521605 1.38684324 -7.35449923 0.10179531 0.77598852 -0.88398204 1.12511077 1.21920425 -0.28776415 -0.9113506 -10.92861564 -10.69139925 -1.93307447 -2.39115928 1.13661193 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1220-83-3 5332 170465768 A Sulfamonomethoxine O=S(=O)(Nc1cc(OC)ncn1)c2ccc(N)cc2 Tox21_110502_1 -NCGC00042134-04 196697907 tox21-ror-cho-viability-p1 set1 4 -2.87322663 3.00168888 -0.48443378 1.82349117 -3.92046252 -0.43757915 -2.78367246 -3.95180772 -0.49468003 -0.43209147 -1.49728521 -3.90471503 -1.34992596 1.76136048 -1.88985532 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2901-75-9 2000 170466474 A Afalanine O=C(O)C(NC(C)=O)Cc1ccccc1 Tox21_110975_1 -NCGC00255327-01 196709854 tox21-ror-cho-viability-p1 set2 4 -2.28776141 -0.2499757 0.65873172 -3.13448639 -0.31910002 -2.46670899 -3.27996196 0.38959114 -4.30089685 -0.27134151 0.92741513 1.40383931 -0.61638738 -2.25836716 1.71232627 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 737-31-5 23672589 144211756 A A Diatrizoate sodium [Na+].O=C(C)Nc1c(I)c(c(I)c(NC(C)=O)c1I)C([O-])=O Tox21_301439 -NCGC00164449-04 196709865 tox21-ror-cho-viability-p1 set2 4 1.27960846 -1.31551429 0.72891928 -0.14166283 -4.48915742 0.18265908 2.5713348 0.1842549 0.84840274 -0.0163052 -1.12039286 0.26116367 1.29246784 0.27207356 4.08543881 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00090773-04 196709458 tox21-ror-cho-viability-p1 set2 4 3.86634809 3.26011655 0.86175996 2.37024246 2.60492532 -3.38474535 3.24162399 4.77804592 3.33792944 2.16172928 -0.78009592 -0.04490283 1.75870802 3.35474886 3.58026664 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00256130-01 196709861 tox21-ror-cho-viability-p1 set2 4 0.78880097 -1.5108489 3.71769531 0.32493851 -0.6069177 1.00876802 2.86372652 0.3205623 2.35882923 0.16241886 -1.55320892 0.09587524 2.49153791 -0.04968695 4.3314226 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6711-48-4 81207 144212008 A D N'-[3-(Dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine CN(C)CCCNCCCN(C)C Tox21_301691 -NCGC00255660-01 196709866 tox21-ror-cho-viability-p1 set2 4 5.10328781 3.3509927 3.25188239 2.40568372 6.17864691 3.0830585 0.88899767 -0.38028099 -0.07846854 1.86180217 1.48343527 0.1812135 -0.09302695 0.75424739 0.07444298 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5437-45-6 62576 144212409 F B Benzyl bromoacetate BrCC(=O)OCc1ccccc1 Tox21_302092 -NCGC00255552-01 196709873 tox21-ror-cho-viability-p1 set2 4 0.88958534 4.13910516 2.45469868 1.36642908 0.46220332 0.00673099 -0.62743382 0.0473158 1.12879094 0.70448014 -0.5229172 1.32711667 0.59182502 0.10005827 0.82197604 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19932-84-4 29858 144211725 A A 6-Chloro-2,3-dihydrobenzoxazol-2-one Clc1ccc2NC(=O)Oc2c1 Tox21_301408 -NCGC00255437-01 196710272 tox21-ror-cho-viability-p1 set2 4 0.0015355304 12.37826476 -12.37826476 0 4.5044702849 0.465180588 0.2120308145 -9.4818873 -1.08340943 -0.59872982 -0.73494715 -3.23329413 5.20373603 0.35763812 -1.56079714 -0.00415637 -1.93378732 -1.21933695 1.25197836 0.57781984 -3.01133958 6.52688364 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3613-30-7 19223 144212272 F F 7-Methoxy-3,7-dimethyloctanal COC(C)(C)CCCC(C)CC=O Tox21_301955 -NCGC00163815-04 196710282 tox21-ror-cho-viability-p1 set2 -2.1 58.1036241395 -92.1162299035 -0.408128758 -92.5243586615 2.2481167061 0.9831900253 1.73E-8 1.7143492 0.89925461 -0.09918249 0.3171194 -1.6199464 -1.18286795 -0.70221823 0.06344023 0.11105753 -0.67397697 0.50504201 -4.47423241 -13.64598808 -26.49062138 -72.36693838 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00256110-01 196710691 tox21-ror-cho-viability-p1 set2 4 0.10110979 -5.73135082 -1.69089372 -3.27514614 -0.67346562 3.51450628 -0.33758693 -3.92731608 3.81983065 0.90863702 -4.78524126 -0.4888687 3.04317731 -0.11933021 0.93631469 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51282-49-6 171018 144211583 A A Methyl 5-chloro-2-nitrobenzoate O=[N+]([O-])c1ccc(Cl)cc1C(=O)OC Tox21_301266 -NCGC00255312-01 196710696 tox21-ror-cho-viability-p1 set2 4 5.99509874 -0.65105112 1.34176847 0.48920151 -0.43598669 -0.20837771 0.18824157 -0.36604753 0.29774066 -0.81248456 -0.43386963 1.03354605 0.2219342 -0.2682198 4.38150709 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 62-74-8 16212360 144211737 A A Sodium fluoroacetate [Na+].[O-]C(=O)CF Tox21_301420 -NCGC00066947-05 196711109 tox21-ror-cho-viability-p1 set2 4 1.31444197 -3.73918083 -1.87483923 -2.35510516 -1.27421078 -1.6021633 -0.05714343 -0.78882906 -4.62545084 -1.12129791 -1.15381858 -0.71863027 -1.07290492 0.0094579 -1.72912177 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00255416-01 196711111 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -12.1390031079 0 -12.1390031079 4.9549173134 0.6609916435 0.0590713353 -5.47253484 1.02086358 0.45961347 0.37522421 -0.81042107 0.98958197 1.73874351 -0.34710924 -0.12665611 1.66882263 1.07956812 0.80404135 -0.23640602 0.38947003 -9.28250259 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-26-3 99016 144212256 A A 2-(1-Methylbutyl)phenol Oc1ccccc1C(C)CCC Tox21_301939 -NCGC00159412-04 196704295 tox21-ror-cho-viability-p1 set1 4 0.0008412674 11.337446196 -10.337446196 1 1.692447691 0.550222549 0.1539770654 -6.94787183 -0.75735298 -1.93976975 -0.49260984 1.46636922 5.06473996 2.85852974 -2.67626106 1.3838602 1.30049572 0.90941475 2.3375914 0.74664135 -1.1232657 6.74997318 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77-86-1 6503 170464686 A Tromethamine OCC(N)(CO)CO Tox21_111645_1 -NCGC00181297-01 196704300 tox21-ror-cho-viability-p1 set1 4 0.7856685 3.25604652 5.82613357 0.80085024 1.81538311 0.44958291 2.52982778 5.70930247 2.37527381 3.77235521 -0.00720849 4.36386419 -1.97014914 5.26000018 0.21269411 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 78266-06-5 54158 144206328 A A Mebrofenin Cc1cc(C)c(Br)c(C)c1NC(=O)CN(CC(=O)O)CC(=O)O Tox21_112775 -NCGC00015012-09 196704302 tox21-ror-cho-viability-p1 set1 4 0.27875065 -2.19473991 -4.04092421 -0.88108868 1.44141882 -0.5979285 -2.00277288 0.88865158 -0.95737878 -0.59158513 0.1676062 -1.65616281 -7.13937712 -1.88924323 -3.65453231 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60719-82-6 2081 170466583 A Alaproclate Clc1ccc(CC(C)(C)OC(=O)C(C)N)cc1 Tox21_110066_1 -NCGC00015506-07 196704706 tox21-ror-cho-viability-p1 set1 4 4.01330304 6.35405745 2.91979071 0.77022686 0.83163851 5.99248544 1.62452468 4.68220673 0.93765215 0.97469772 6.64926908 0.39439931 1.74434479 1.68947456 0.63643753 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118909-22-1 5702293 170466309 A Hydroxytacrine maleate O=C(O)/C=C\C(=O)O.Nc1c3ccccc3nc2CCCC(O)c12 Tox21_110164_1 -NCGC00166079-02 196704718 tox21-ror-cho-viability-p1 set1 4 21.1316824289 -24.2544983 1 -23.2544983 0.7999999999 0.8928519668 0.0004580656 0.08191153 -0.11216963 4.36374643 -0.01685523 2.12797725 1.54332512 0.70269538 0.38284966 0.27863262 -2.20362735 -5.9512695 -1.42892756 -6.01042278 -11.54573693 -16.04541525 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 85-83-6 5876571 170465710 F C.I. Solvent Red 24 Cc4ccccc4/N=N/c3ccc(/N=N/c1c2ccccc2ccc1O)c(C)c3 Tox21_112307_1 -NCGC00167576-02 196704719 tox21-ror-cho-viability-p1 set1 4 -2.06881241 0.3461657 2.52418744 0.76565927 1.11348189 -5.55555512 0.44957868 2.23350011 1.4621997 -2.56657419 0.67123872 0.99452045 -1.78401116 -4.36663879 -2.47770773 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33237-74-0 71413 170465842 A Aprindine hydrochloride Cl.CCN(CC)CCCN(c1ccccc1)C2Cc3ccccc3C2 Tox21_112569_1 -NCGC00263581-01 196704721 tox21-ror-cho-viability-p1 set1 -3 33.4914596268 -79.0803694508 -2.826440746 -81.9068101968 4.9549173134 0.8734948067 0.0010143474 -0.09458288 0.34231953 -0.43145409 0.82107722 0.46967224 -21.23257504 0.64699967 1.41632834 -0.22554469 -0.60308636 0.28810984 -15.25973161 -4.6600469 -4.11299804 -71.84807912 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 434-07-1 5281034 170465403 A Oxymetholone O=C3C[C@@H]4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@]1(C)O)[C@@]4(C)C\C3=C\O Tox21_111131_1 -NCGC00178579-04 196704724 tox21-ror-cho-viability-p1 set1 4 -4.70377153 -4.25823095 0.36611702 1.48426993 0.18356527 -6.94949901 -2.8553383 0.82415267 0.59010607 -0.41460038 -1.16977594 -3.01311608 -0.91783936 1.61254235 -0.48759867 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27262-48-2 117965 170465452 A Levobupivacaine hydrochloride Cl.Cc2cccc(C)c2NC(=O)[C@@H]1CCCCN1CCCC Tox21_111706_1 -NCGC00249050-02 196704726 tox21-ror-cho-viability-p1 set1 4 26.6032120037 -17.329082096 0.5 -16.829082096 4.5044702849 0.8960119589 0.0003979788 -0.22439873 0.58638468 1.10077877 0.098798 -3.16548637 0.24212858 -0.87901201 3.10284224 0.09596417 1.8390999 -0.44904532 1.11039612 -0.20795586 -3.61263275 -15.27423508 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52479-85-3 40399 170466234 B Exifone Oc2ccc(C(=O)c1cc(O)c(O)c(O)c1)c(O)c2O Tox21_113656 -NCGC00263538-01 196705130 tox21-ror-cho-viability-p1 set1 4 5.9557173066 -21.2458199119 2 -19.2458199119 1.826479391 0.9136355798 0.0001539143 2.4932147 2.15657947 5.23404404 1.49253447 -0.2526181 -3.12854372 5.03573301 -0.45576651 0.71023664 3.94819415 0.92488491 -6.35368836 -13.52116988 -15.27578428 -19.78818326 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 147059-75-4 62960 170465074 A Trovafloxacin mesylate CS(=O)(=O)O.O=C(O)C2=CN(c1nc(c(F)cc1C2=O)N3C[C@H]4[C@H](N)[C@H]4C3)c5ccc(F)cc5F Tox21_110980_1 -NCGC00160397-04 196705136 tox21-ror-cho-viability-p1 set1 4 -0.13233583 -1.12810139 -0.26322651 -0.06460844 -5.21267071 -2.42857184 -1.96051769 -0.59373459 -1.37651833 -2.61587675 -0.81982195 0.58572514 0.10978982 0.88799214 -3.46118198 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84504-69-8 5282435 170465947 A Irsogladine maleate Nc1nc(nc(N)n1)c2cc(Cl)ccc2Cl.O=C(O)/C=C\C(=O)O Tox21_111786_1 -NCGC00255627-01 196701425 tox21-ror-cho-viability-p1 set1 4 34.3762428541 12.3794318479 -0.3794318479 12 0.6 0.5150732025 0.1666556875 0.01733039 -3.28790177 3.17031552 -6.14952654 0.15663191 3.49852448 1.92876039 -1.70183958 2.14923456 3.25164625 2.64063482 1.67312472 2.16455852 6.75953489 9.01094381 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1610-17-9 15359 144212131 A A Atraton COc1nc(NCC)nc(NC(C)C)n1 Tox21_301814 -NCGC00257001-01 196727146 tox21-ror-cho-viability-p1 set3 4 0.0216899429 5.5359685679 -5.0359685679 0.5 4.9549173134 0.4178309896 0.2567740093 -4.52701895 -4.90269814 -0.12472859 -10.86330714 1.78885024 1.52827323 -4.65549542 0 -0.03567535 0 -1.0690604 3.06116446 2.39862066 1.82766131 -0.50825143 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 613-13-8 11937 144213616 B Fc 2-Aminoanthracene Nc1ccc2cc3ccccc3cc2c1 Tox21_303299 -NCGC00261984-01 196726323 tox21-ror-cho-viability-p1 set3 4 0.0595571731 4.895003572 0.104996428 5 4.9549173134 0.3565256121 0.3314608027 -1.99583631 2.72126217 0.66942149 -1.82745299 2.40314668 -0.95424599 3.63562414 12.59283402 7.05835962 3.27995462 3.49921333 -1.11705225 5.46140771 3.34925296 0.87698954 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56917-29-4 42040 170466227 F A Fluretofene Fc2ccccc2c1ccc(C#C)cc1 Tox21_113903 -NCGC00181767-03 196726329 tox21-ror-cho-viability-p1 set3 4 4.56257733 1.2719353 0.77075644 1.37073406 0.8135447 -0.58390832 -1.52441734 -0.92223989 1.86933887 -1.31222465 5.20380654 -0.01018152 2.10705577 5.75616645 4.13948915 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 134308-13-7 4659569 170465081 A Tolcapone Oc1cc(cc([N+]([O-])=O)c1O)C(=O)c2ccc(C)cc2 Tox21_112963_1 -NCGC00091650-03 196726738 tox21-ror-cho-viability-p1 set3 4 -0.69242933 -1.49126861 1.01729805 2.36142765 0.06461473 -1.43210481 2.06537416 -1.03553198 0.200274 1.42122704 3.03490596 0.6122236 1.41009297 0.1708344 -1.42201801 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00256712-01 196727149 tox21-ror-cho-viability-p1 set3 4 27.3060203028 13.745878168 -1.745878168 12 4.9549173134 0.7708735006 0.0187253983 -0.1383506 -3.30852729 0.48144713 -2.92071736 -0.8601382 -0.84124978 -1.25172503 -1.7674488 -6.87156514 0 0 -1.99036099 -1.29899219 11.91202494 1.0035429 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17283-81-7 519382 144212983 A Ac Dihydro-beta-ionone CC=1CCCC(C)(C)C=1CCC(C)=O Tox21_302666 -NCGC00256737-01 196727153 tox21-ror-cho-viability-p1 set3 4 -0.67737583 -2.64233692 1.08798099 3.05748964 2.79988717 1.47741338 4.97725902 6.45066281 5.38281189 3.77647706 4.1928696 -0.87092363 -1.77487697 -3.04962008 0.12663609 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26921-17-5 5281056 144212785 A A Timolol maleate salt O[C@H](COc1nsnc1N2CCOCC2)CNC(C)(C)C.O=C(O)/C=C\C(=O)O Tox21_302468 -NCGC00256653-01 196727155 tox21-ror-cho-viability-p1 set3 4 -5.27415355 -1.68703169 -3.96935084 -3.82367864 -2.55246717 -4.38107046 2.23675039 0.68593557 -21.46665227 0 0 2.45597253 -4.91081051 0.44191386 -3.67231348 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 8006-90-4 144212981 M M Peppermint oil Tox21_302664 -NCGC00257463-01 196727161 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -17.68362572 1 -16.68362572 4.9549173134 0.5184336932 0.162947223 5.25060682 2.10449297 0.30164009 -1.85931044 1.07456337 -0.20929326 -1.55915408 -0.60662531 0.14037528 -1.25998574 -1.54630425 10.37919742 0.23099284 1.83260541 -11.8196881 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1478-61-1 73864 144213946 A A Bisphenol AF Oc1ccc(cc1)C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F Tox21_303641 -NCGC00257338-01 196727163 tox21-ror-cho-viability-p1 set3 4 -1.01492312 -0.41694695 1.4504645 -0.00539701 3.02886331 0.05378711 3.20440651 3.19563965 11.00551222 0.13927644 0.53305903 3.44215494 -1.93173639 -3.25511233 -0.40978834 3.952E-10 8.837E-10 1.976E-9 4.419E-9 9.88E-9 2.2089999999E-8 4.94E-8 1.1049999999E-7 2.47E-7 5.523E-7 0.000001235 0.000002762 0.0000061749999999 0.00001381 0.000030879999999 78473-71-9 10685477 144213860 A A Enterolactone Oc1cccc(c1)C[C@H]3C(=O)OC[C@@H]3Cc2cc(O)ccc2 Tox21_303555 -NCGC00257248-01 196727561 tox21-ror-cho-viability-p1 set3 4 0.76345694 -2.03031142 -0.9548866 0.27174129 -1.90089334 -3.39955955 11.79717593 0.27248046 -0.91403741 -3.48609332 0.18266646 -1.6359149 0.35833093 0.69449507 -3.13074769 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_48516 23700188 144213844 A A PharmaGSID_48516 [Na+].O=C([N-]S(=O)(=O)/C=C/c1ccccc1)c2ccc(F)cc2Cl Tox21_303538 -NCGC00257217-01 196727559 tox21-ror-cho-viability-p1 set3 4 0.0172289341 -7.5261540119 4 -3.5261540119 4.9549173134 0.6379349372 0.0721159467 3.400938 1.36436775 6.69769812 2.22921511 -3.71868527 0.12722567 -2.64532977 -8.77179501 -3.48073021 -0.05496437 -1.1313048 -4.41495346 -5.16692873 -5.24304959 -4.85884128 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-14-9 8419 144213391 A A Veratraldehyde COc1cc(ccc1OC)C=O Tox21_303074 -NCGC00094524-09 196725564 tox21-ror-cho-viability-p1 set3 4 0.0006682425 17.3689919479 -18.8689919479 -1.5 4.9549173134 0.6113334828 0.0896935943 -14.05749329 0 1.29645311 3.11082532 -4.10038449 1.64512 -2.91827428 1.22001834 -2.85113865 -4.91631281 -1.69950823 -1.083629 -2.96805142 -5.40060002 -1.8395562 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122-34-9 5216 170466806 A Simazine Clc1nc(NCC)nc(NCC)n1 Tox21_111291_1 -NCGC00090965-04 196699145 tox21-ror-cho-viability-p1 set1 -2.4 17.2289340586 -20.504055528 -0.5 -21.004055528 4.9549173134 0.9153654891 0.0001387617 2.84181107 -1.52202698 -1.46430099 0.25486574 -1.14764307 -2.84769344 -0.78552297 -3.67294941 -1.53139965 -1.19458204 0.19277592 2.16609496 -11.73829044 -24.58671294 -17.3941336 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00254058-01 196698733 tox21-ror-cho-viability-p1 set1 4 -2.0481406 5.22541879 -0.04865077 -2.03555695 0.04505882 0.29460008 0.28746742 4.24137115 7.80501733 0.51327948 5.99284116 3.67530674 -1.82446306 0.06747494 7.25618797 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-20-3 931 144210328 A Ac Naphthalene c1cccc2ccccc12 Tox21_300008 -NCGC00254186-01 196698739 tox21-ror-cho-viability-p1 set1 4 -1.05266782 -0.78126083 -0.48801627 2.0840501 0.74863822 2.38520655 1.41772376 1.17700275 1.07472749 1.11403869 0.218956 1.85724228 0.47062956 3.73615087 0.6557386 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 584-13-4 11432 144210517 A Ac 4-Amino-1,2,4-triazole Nn1cnnc1 Tox21_300197 -NCGC00091499-05 196699142 tox21-ror-cho-viability-p1 set1 4 10.8707224818 -11.959010696 -0.5 -12.459010696 2.3331733767 0.5982775879 0.112780156 -2.68574273 4.84368509 0.11850348 1.55429556 -1.12151344 -6.99047533 0.58298954 -4.31126994 4.11748824 -3.51272912 -1.41413731 -4.22485582 -10.3292437 -12.04917558 8.06747793 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00254931-01 196699154 tox21-ror-cho-viability-p1 set1 4 27.1394921295 -8.6013443719 0.5 -8.1013443719 4.9549173134 0.8896897634 0.0005426287 2.32636821 -0.66331905 0.8066515 2.21140171 0.06058529 1.67861903 1.71272932 -1.19105976 0.08988262 -0.0075823 0.65759407 0.79901916 -0.38097388 -6.9023304 -8.00112031 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 122008-85-9 180089 144211346 A A Cyhalofop-butyl O=C(OCCCC)[C@@H](C)Oc1ccc(cc1)Oc2ccc(cc2F)C#N Tox21_301029 -NCGC00254148-01 196699159 tox21-ror-cho-viability-p1 set1 4 -3.05137895 -3.41226217 -3.29822245 -0.30058595 -1.9391253 -2.3510297 0.2610879 -2.1748358 1.7136614 -2.79046539 -1.78252916 -3.71565195 0.33466827 -0.08227628 -5.47598609 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-67-6 7714 144210383 A A 5-Heptyldihydro-2(3H)-furanone O=C1CCC(CCCCCCC)O1 Tox21_300063 -NCGC00254760-01 196699554 tox21-ror-cho-viability-p1 set1 4 1.97111669 -2.4965801 -2.92674951 3.19066813 0.16212796 3.4297704 1.74466048 -0.20605472 0.76676197 1.4608558 3.19100173 2.90441832 -0.45991195 0.67297119 1.21981406 1.4029999999E-9 3.137E-9 7.013E-9 1.568E-8 3.5069999999E-8 7.8409999999E-8 1.753E-7 3.9209999999E-7 8.767E-7 0.00000196 0.000004383 0.0000098019999999 0.00002192 0.000049009999999 0.0001096 95-69-2 7251 144211174 A A 4-Chloro-2-methylaniline Cc1cc(Cl)ccc1N Tox21_300857 -NCGC00254477-01 196699560 tox21-ror-cho-viability-p1 set1 4 1.86513885 0.26144058 0.82948425 1.23677882 0.29657939 -6.88602495 -0.899195 1.95480886 1.11788705 -0.50260702 0.55879745 1.22929323 3.12065444 1.88210417 1.6313867 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 501027-49-2 10134976 144210785 A A PD-0333941 O=C(O)CCn4ccc3c4cccc3OCCc1nc(oc1C)c2ccccc2 Tox21_300467 -NCGC00090827-04 196699568 tox21-ror-cho-viability-p1 set1 4 0.83815425 2.3264015 -0.02226146 -1.99498688 -2.22216648 -0.21284487 -1.02833412 -1.62241482 -6.73399745 -1.16222125 2.51602704 -1.46944216 3.42548939 -0.66045664 0.81447554 1.188E-9 2.656E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.641E-8 1.4849999999E-7 3.321E-7 7.425E-7 0.0000016599999999 0.000003712 0.0000083009999999 0.00001856 0.000041509999999 0.00009281 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00254882-01 196699971 tox21-ror-cho-viability-p1 set1 4 17.2289340586 -6.1173154359 -1 -7.1173154359 4.9549173134 0.4928104799 0.1872829679 -0.866806 -3.74061063 -0.66792114 -5.52834208 0.40072033 -0.43202364 0.49160496 -0.67670129 -3.43465975 -0.49387969 0.34857342 4.47180794 -4.79689885 -5.93913871 -8.01442953 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84-74-2 3026 144211297 A A Dibutyl phthalate O=C(OCCCC)c1ccccc1C(=O)OCCCC Tox21_300980 -NCGC00258967-01 196721204 tox21-ror-cho-viability-p1 set3 4 29.4860616614 9.488101748 -3.988101748 5.5 4.9549173134 0.4114328543 0.2616153927 -5.46680475 -1.38799111 -4.49089874 7.96385139 -5.52751667 -7.49008479 -6.45712092 -4.25817743 -6.005107 -1.52566826 -6.09528508 -6.58220772 -5.47014995 5.8438954 4.56008943 1.258E-9 2.812E-9 6.288E-9 1.4059999999E-8 3.144E-8 7.03E-8 1.572E-7 3.5149999999E-7 7.86E-7 0.000001758 0.00000393 0.000008788 0.000019649999999 0.000043939999999 0.000098249999999 1124-64-7 2734171 144208614 Z Z N-Butylpyridinium chloride [Cl-].CCCC[n+]1ccccc1 Tox21_201416 -NCGC00090986-03 196720402 tox21-ror-cho-viability-p1 set3 -2.2 43.5413235903 -56.5608045889 3.2930997069 -53.267704882 2.3331733767 0.9449606666 0.0000141922 2.49924417 3.38057381 0.56425201 -1.07659741 -1.04610715 9.25975228 4.49205154 5.00270977 6.88989298 -1.41209081 7.61589231 -1.05395121 -2.89077416 -23.73157743 -44.87825358 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00254526-01 196720808 tox21-ror-cho-viability-p1 set3 4 5.13273915 1.24040093 8.19481202 12.21859367 2.28547308 8.56908313 8.61325054 4.72094606 14.64791429 1.93291338 6.31629374 6.37618158 12.56505494 7.18796187 4.84371716 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-95-3 7416 144210826 A Ac Nitrobenzene [O-][N+](=O)c1ccccc1 Tox21_300508 -NCGC00357197-01 196711527 tox21-ror-cho-viability-p1 set2 4 4.72593335 0.50477027 3.08623631 3.96861835 6.03953118 5.99856588 6.30214212 7.80526874 10.0762689 9.11514312 4.44963144 5.11361087 6.65903629 9.30593747 8.94712785 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-69-1 5311110 251919779 F D-Ribose O[C@@H](C=O)[C@H](O)[C@H](O)CO Tox21_303971 -NCGC00357192-01 196711518 tox21-ror-cho-viability-p1 set2 2.4 61.130564862 29.792896568 1.207103432 31 2.8472712143 0.9227036839 0.0000870866 0.62131156 3.89956599 -0.33208532 -0.20874956 2.99354486 -1.91074714 1.26731983 3.78380439 0.82243429 0.05089832 1.10315881 3.63427012 3.94905773 7.81771574 24.24885271 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_57890 251919991 Anti-OP-18/Stathmin antibody produced in rabbit Tox21_303959 -NCGC00259071-01 196711521 tox21-ror-cho-viability-p1 set2 4 53.4868908821 -20.390693044 -1.5 -21.890693044 3.1319983358 0.6543752444 0.0617073616 -9.42059723 -3.29337635 -1.08199122 -1.90141557 0.97240933 -0.41525451 -4.41424092 0.00433647 0.93194941 -3.58752278 -2.49641382 5.65972371 1.35723791 -8.43534493 -18.65891087 1.162E-9 2.5969999999E-9 5.808E-9 1.299E-8 2.9039999999E-8 6.493E-8 1.4519999999E-7 3.247E-7 7.2599999999E-7 0.000001623 0.0000036299999999 0.000008117 0.000018149999999 0.000040579999999 0.00009075 117-79-3 8341 144208719 A A 2-Aminoanthraquinone Nc2ccc3C(=O)c1ccccc1C(=O)c3c2 Tox21_201521 -NCGC00091351-03 196711523 tox21-ror-cho-viability-p1 set2 4 50.5893147526 19.28721918 -2.78721918 16.5 3.9294729863 0.3545785639 0.3151691695 -0.08460795 -0.68915337 -3.24031217 -2.11657816 -23.57268265 0.19213173 -4.30722005 -3.35480777 2.43627692 -3.36021026 3.80230903 3.43998387 -5.87922616 4.80616472 14.62688664 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00357285-01 196711532 tox21-ror-cho-viability-p1 set2 4 -1.85710318 -0.16505792 -1.94340893 -2.70168559 -1.9407947 0 0 -13.92466925 0 0 -10.11176392 0 0 -6.3035156 -1.40305253 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 64091-91-4 47289 251919642 F 4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone O=C(CCCN(C)N=O)c1cccnc1 Tox21_303771 -NCGC00260122-01 196711535 tox21-ror-cho-viability-p1 set2 4 -0.59643009 -0.28550894 -0.64006629 -4.03621426 1.53195152 -0.04558049 -0.68316917 -4.61289808 -11.25780579 1.75432718 -11.505415 -0.2119677 -14.42567001 1.53427091 -11.84210611 5.949E-10 1.33E-9 2.975E-9 6.652E-9 1.4869999999E-8 3.3259999999E-8 7.437E-8 1.663E-7 3.718E-7 8.314E-7 0.000001859 0.000004157 0.0000092959999999 0.00002079 0.000046479999999 123-94-4 24699 144209771 A Ac 1-Stearoyl-rac-glycerol OCC(O)COC(=O)CCCCCCCCCCCCCCCCC Tox21_202573 -NCGC00091205-03 196711537 tox21-ror-cho-viability-p1 set2 4 -0.7167876 -1.6205767 -8.68654115 -5.80374397 -18.28344035 0 0 0 -40.84640548 0 -4.66823511 0 -23.84261065 0.73231832 20.48655241 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00357004-01 196711946 tox21-ror-cho-viability-p1 set2 2.4 68.5896218971 33.625610664 2.374389336 36 1.0999999999 0.8380464247 0.0031981529 0.76335024 3.51351508 3.76179816 1.85976226 1.11897891 -0.52134222 0.27219042 3.67888193 7.71331994 2.67049987 5.75006548 5.23057572 6.40014406 10.61291436 27.53057214 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140939-15-7 23664984 251919987 C Alachlor ESA, sodium salt [Na+].[O-]S(=O)(=O)CC(=O)N(COC)c1c(cccc1CC)CC Tox21_303958 -NCGC00091426-02 196709049 tox21-ror-cho-viability-p1 set2 4 0.95975234 -0.74163677 2.19113309 0.56612176 2.86921295 3.05050116 1.12312435 2.56026573 0.2211442 0.47585165 -0.65729792 1.84602112 1.53641157 2.68786834 1.46429327 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00163903-03 196708646 tox21-ror-cho-viability-p1 set2 4 -3.69126757 -2.85170915 -1.79928024 -5.53108299 0.94529647 -1.51776294 -1.34655904 -0.37937087 -0.97893295 -0.09578595 1.9539564 -0.91299946 1.20529434 -0.1415743 1.31415749 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00259242-01 196709044 tox21-ror-cho-viability-p1 set2 4 -2.31521844 -0.71762655 -2.26510734 0.73575839 -0.40710157 0.00831775 -0.56588143 0.62272402 -0.06690709 2.57733674 3.52788041 1.00849666 0.92947956 2.52853945 2.54372569 1.1429999999E-9 2.556E-9 5.716E-9 1.278E-8 2.858E-8 6.39E-8 1.429E-7 3.1949999999E-7 7.145E-7 0.000001598 0.000003572 0.000007988 0.00001786 0.000039939999999 0.00008931 109-06-8 7975 144208891 FC 2-Methylpyridine Cc1ccccn1 Tox21_201693 -NCGC00258919-01 196709046 tox21-ror-cho-viability-p1 set2 4 -2.84940229 1.0830856 2.74211587 0.86153021 -1.51629339 -2.01610716 -0.2073861 -1.37638065 -0.4311211 -0.89330569 -0.73010739 1.09009654 -0.03948666 5.88562201 1.84054838 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.613E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.00001848 0.00004133 0.00009242 54-85-3 3767 144208565 A A Isoniazid O=C(NN)c1ccncc1 Tox21_201367 -NCGC00259560-01 196709054 tox21-ror-cho-viability-p1 set2 4 3.53933512 0.29032709 0.12334705 0.92666352 2.0159842 3.8056784 -0.80449829 0.7404048 2.63551291 2.56305931 1.89847381 4.04231387 6.82038939 2.45914758 4.98102867 1.196E-9 2.6749999999E-9 5.981E-9 1.337E-8 2.9899999999E-8 6.6869999999E-8 1.4949999999E-7 3.3429999999E-7 7.476E-7 0.0000016719999999 0.0000037379999999 0.000008358 0.00001869 0.00004179 0.00009345 3926-62-3 23665759 144209209 D Sodium chloroacetate [Na+].[O-]C(=O)CCl Tox21_202011 -NCGC00259681-01 196705968 tox21-ror-cho-viability-p1 set1 4 3.61636131 -0.14779575 -0.50997347 -3.01499564 3.39485224 -6.42933468 0.12331819 0.59530015 0.39143468 0 4.99063658 -4.39094627 0.65003642 -1.25639603 6.9518923 1.249E-9 2.7929999999E-9 6.2449999999E-9 1.3959999999E-8 3.123E-8 6.9819999999E-8 1.5609999999E-7 3.491E-7 7.8059999999E-7 0.0000017459999999 0.000003903 0.000008728 0.00001952 0.000043639999999 0.00009758 59-89-2 6046 144209330 A A N-Nitrosomorpholine O=NN1CCOCC1 Tox21_202132 -NCGC00259086-01 196706369 tox21-ror-cho-viability-p1 set1 4 -0.78304619 -0.25251566 -9.79188836 6.27902917 0.39317003 -0.83780132 -0.50843928 -1.94277539 -0.3285469 0 3.27059083 -0.6940023 3.64503294 -0.09897031 3.0530136 1.2069999999E-9 2.7E-9 6.037E-9 1.3499999999E-8 3.019E-8 6.75E-8 1.509E-7 3.375E-7 7.547E-7 0.000001687 0.000003773 0.0000084369999999 0.00001887 0.000042189999999 0.00009433 6915-15-7 525 144208734 A B Malic acid O=C(O)C(O)CC(=O)O Tox21_201536 -NCGC00259323-01 196706374 tox21-ror-cho-viability-p1 set1 4 55.5926652 -19.809473928 3 -16.809473928 2.6384283767 0.6637672573 0.0564750391 0.01749743 10.91186521 4.358141 7.8296904 3.23966042 -0.94820081 1.46953307 1.6979922 3.48946927 0.51393546 1.92400846 3.29735218 0.15045049 -2.67374694 -12.75789494 1.1999999999E-9 2.683E-9 5.999E-9 1.3409999999E-8 3E-8 6.707E-8 1.5E-7 3.3539999999E-7 7.499E-7 0.000001677 0.000003749 0.000008384 0.00001875 0.00004192 0.00009374 709-98-8 4933 144208972 A A Propanil Clc1ccc(NC(=O)CC)cc1Cl Tox21_201774 -NCGC00258942-01 196706375 tox21-ror-cho-viability-p1 set1 4 2.53410154 3.79070822 0.49365564 3.43731512 4.74172695 -1.96460946 -0.67319072 4.41145908 4.40250608 13.34687827 -2.32115284 -3.88702554 5.15251466 4.5087023 1.91667596 1.1739999999E-9 2.625E-9 5.87E-9 1.3129999999E-8 2.9349999999E-8 6.5629999999E-8 1.468E-7 3.281E-7 7.338E-7 0.000001641 0.000003669 0.000008204 0.00001834 0.00004102 0.00009172 94-20-2 2727 144208589 A A Chlorpropamide O=S(=O)(NC(=O)NCCC)c1ccc(Cl)cc1 Tox21_201391 -NCGC00259569-01 196706380 tox21-ror-cho-viability-p1 set1 -3 61.4415298105 -60.5579798837 2.8455917529 -57.7123881308 3.6272481694 0.9745341604 1.91E-7 4.74777774 4.52266928 2.495598 -1.16255381 4.33852293 -1.34629463 1.01138399 2.41722058 3.6636454 6.33635575 1.97126593 1.92835385 1.88031178 -8.8298176 -46.75180919 1.185E-9 2.6499999999E-9 5.9249999999E-9 1.325E-8 2.9629999999E-8 6.625E-8 1.481E-7 3.312E-7 7.406E-7 0.000001656 0.0000037029999999 0.000008281 0.00001852 0.0000414 0.00009258 106-51-4 4650 144209218 B Ac 1,4-Benzoquinone O=C1C=CC(=O)C=C1 Tox21_202020 -NCGC00259139-01 196706383 tox21-ror-cho-viability-p1 set1 4 -8.85283523 -3.99261539 -7.77002173 -11.41891092 -7.28443429 -3.71278562 -5.46611463 -8.97429298 -3.72602709 -7.0578361 6.26078944 -3.25259811 -5.51945783 -9.05831298 0.44756437 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 0.000091709999999 623-17-6 12170 144208788 B Fns Furfuryl acetate O=C(C)OCc1ccco1 Tox21_201590 -NCGC00253641-01 196704314 tox21-ror-cho-viability-p1 set1 -1.1 2.1131682429 -58.0674900017 2.6615927249 -55.4058972768 4.9549173134 0.9686528241 0.000001889 5.74416654 3.65897023 1.06888339 0.14554992 1.37858306 5.26766206 2.04901757 5.09567718 1.42198289 0.7801505 -13.49085643 -59.7019608 -61.02397896 -44.17767434 -24.91126756 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 141505-33-1 3033825 170466129 A A Levosimendan N#C/C(C#N)=N\Nc1ccc(cc1)C2=NNC(=O)C[C@H]2C Tox21_113768 -NCGC00357241-01 196703908 tox21-ror-cho-viability-p1 set1 4 -0.00571715 1.01001456 -0.4259387 -0.07385624 -13.759266 -1.28414501 -0.17809228 -5.55790083 0.15735907 -5.26645355 -3.48151148 -11.38282212 -0.41493692 0.58698433 0.64850784 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15059-52-6 71311204 251919873 Dysprosium(III) chloride hexahydrate O.O.O.O.O.O.Cl[Dy](Cl)Cl Tox21_304034 -NCGC00260205-01 196703915 tox21-ror-cho-viability-p1 set1 4 -0.32701209 1.14909026 -1.38066083 3.36056044 0.32916642 1.19569977 -1.67662538 0.81460683 1.68859417 -0.34526882 -0.08454738 -0.58372966 3.85389456 0.17501681 2.40495405 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.324E-8 2.96E-8 6.618E-8 1.4799999999E-7 3.309E-7 7.399E-7 0.0000016539999999 0.0000037 0.000008272 0.0000185 0.00004136 0.000092489999999 79917-89-8 60196378 144209855 F F 1-Methyl-3-propylimidazolium chloride Cl.CCCN1C=CN(C)C1 Tox21_202657 -NCGC00260226-01 196703921 tox21-ror-cho-viability-p1 set1 4 -0.22830868 -0.42900341 -5.66290655 -5.93227087 -6.98645346 -14.7773304 -0.42419434 1.13551573 -6.86747588 -4.78680297 -13.89221072 -2.51477093 0.52575072 -6.99266461 -1.03561054 1.193E-9 2.6689999999E-9 5.967E-9 1.3339999999E-8 2.9839999999E-8 6.672E-8 1.4919999999E-7 3.3359999999E-7 7.4589999999E-7 0.000001668 0.00000373 0.00000834 0.00001865 0.0000417 0.00009324 NOCAS_49389 60196391 144209876 A A 1-Butyl-2-methylpyridinium hexafluorophosphate Cc1cccc[n+]1CCCC.F[P-](F)(F)(F)(F)F Tox21_202678 -NCGC00166219-02 196704322 tox21-ror-cho-viability-p1 set1 4 1.24151243 0.53473706 2.09806729 0.06667539 3.17743294 -1.73341611 1.07162313 -1.36636693 2.26755696 1.11655502 -1.78468928 2.82725458 -0.09536093 0.59144998 1.61244755 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79467-22-4 43961 170466781 A Bipenamol NCc2ccccc2Sc1ccccc1CO Tox21_112355_1 -NCGC00164494-02 196704335 tox21-ror-cho-viability-p1 set1 4 1.844955 1.16806457 0.74052161 -2.00192766 0.00556319 0.43427983 0.79376358 4.02899308 2.3216157 -7.32215321 -0.03090558 1.81363249 0.90487751 0.95500849 0.99671974 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 140-40-9 8798 170466180 A Nithiamide O=C(C)Nc1ncc(s1)[N+]([O-])=O Tox21_112132_1 -NCGC00182054-03 196704731 tox21-ror-cho-viability-p1 set1 4 3.35973847 1.48284782 -0.78477733 0.77977376 0.97762453 5.56113439 -0.06111934 -0.34018619 2.12537655 -0.15919517 -1.05636731 -1.16123716 0.9970134 0.41911773 -1.99824963 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 86780-90-7 2225 170465977 B Aranidipine CC=1NC(C)=C(C(C=1C(=O)OCC(C)=O)c2ccccc2[N+]([O-])=O)C(=O)OC Tox21_113003_1 -NCGC00095179-05 196704730 tox21-ror-cho-viability-p1 set1 4 -7.4884741 -4.26215066 -0.64463174 0.02995619 -1.68969825 -1.21206195 -4.70137909 -0.20808423 -3.62115864 -2.89203289 0.26899128 1.01188846 -0.0145257 -2.82421928 -1.01826284 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82626-48-0 5732 170465242 A Zolpidem CN(C)C(=O)Cc1c(nc2ccc(C)cn12)c3ccc(C)cc3 Tox21_111471_1 -NCGC00257478-01 196727244 tox21-ror-cho-viability-p1 set3 4 5.4482673282 6.9021653759 -3.4021653759 3.5 4.9549173134 0.507984963 0.1724106225 -0.53025278 0.17424447 -0.90009482 -4.98641094 -5.00005729 -7.00180448 -6.28777638 0.1163135 -0.04403184 -4.04048874 -6.98755714 6.85689835 2.90800963 0.91171461 3.87389563 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1625-91-8 74195 144213866 A Ac 4,4'-Di-tert-butylbiphenyl CC(C)(C)c1ccc(cc1)c2ccc(cc2)C(C)(C)C Tox21_303561 -NCGC00257121-01 196727639 tox21-ror-cho-viability-p1 set3 -2.4 38.5315576806 -31.7589030719 1.5 -30.2589030719 2.4063783767 0.9193840658 0.0001078495 -0.22652574 0.53904281 0.48323059 0.30704194 -4.48062334 0.62562583 3.56756882 1.46350017 2.4740011 2.25334398 5.72224172 0.88063571 0.36957012 -17.36057891 -26.46575256 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 1330-61-6 14899 144213402 Z F Isodecyl acrylate C=CC(=O)OCCCCCCCC(C)C Tox21_303085 -NCGC00256360-01 196727240 tox21-ror-cho-viability-p1 set3 4 -4.79313917 0 0 -14.85614496 0 0 0 0 0 0 0 -9.16079932 -6.26590292 -6.57132806 -4.96556028 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-17-8 444972 144213143 A A Fumaric acid O=C(O)/C=C/C(=O)O Tox21_302826 -NCGC00257329-01 196727242 tox21-ror-cho-viability-p1 set3 4 39.384636472 -17.825103388 4 -13.825103388 4.9549173134 0.786938159 0.0104448435 3.52364936 1.17609595 0.83024371 1.920099 8.2982455 5.5059324 5.48470213 4.56344491 3.95633882 6.16648597 5.87666974 1.65497104 2.80153209 2.03566413 -11.52091949 7.4319999999E-10 1.662E-9 3.716E-9 8.31E-9 1.8579999999E-8 4.1549999999E-8 9.291E-8 2.077E-7 4.645E-7 0.000001039 0.000002323 0.000005194 0.000011609999999 0.000025969999999 0.00005807 2919-66-6 250948 144213722 A A Melengestrol acetate CC(=O)[C@@]3(OC(C)=O)C(=C)C[C@H]2[C@@H]4C=C(C)C1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_303411 -NCGC00257048-01 196727647 tox21-ror-cho-viability-p1 set3 4 3.8381723 -0.43000766 0.12426206 1.62354108 2.93095594 0.04792809 -0.20569278 2.98069063 1.47396134 2.73625859 0.08054753 2.75038958 -0.17684556 1.87168152 7.02684659 1.117E-9 2.498E-9 5.5859999999E-9 1.2489999999E-8 2.793E-8 6.246E-8 1.397E-7 3.123E-7 6.983E-7 0.000001561 0.000003491 0.000007807 0.00001746 0.00003904 0.00008729 124-68-5 11807 144213466 A A 2-Amino-2-methylpropan-1-ol CC(C)(N)CO Tox21_303149 -NCGC00255961-01 196728060 tox21-ror-cho-viability-p1 set3 -1.1 27.3060203028 -82.4167447408 -1.437246579 -83.8539913198 4.9549173134 0.9283439261 0.0000580465 0.07579631 -5.22724896 -1.63577169 7.29027339 -9.58707232 11.6724743 -9.37808459 -9.44108515 -4.04017571 11.46464866 -7.69505433 -3.35469056 -7.3966844 -82.69999149 -77.14369254 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1729-67-5 95428 144212294 F Fns Methyl 2,3-dibromopropionate BrC(CBr)C(=O)OC Tox21_301977 -NCGC00255763-01 196728480 tox21-ror-cho-viability-p1 set3 4 -14.55667345 -1.40804306 -3.44302488 7.46086923 -7.68844276 -6.6374802 -17.65997839 7.26570289 -9.09114907 6.88213122 -6.81405966 -10.00359086 -7.70394998 -3.91855073 -8.60019799 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135-51-3 8673 144211918 A Ac Disodium 3-hydroxynaphthalene-2,7-disulfonate [Na+].[Na+].[O-]S(=O)(=O)c1cc2cc(c(O)cc2cc1)S([O-])(=O)=O Tox21_301601 -NCGC00255773-01 196728482 tox21-ror-cho-viability-p1 set3 4 -0.34080655 -0.26195803 -0.29505012 7.46813281 7.42066524 -2.31115945 0.18671421 1.35664172 -0.31570017 -1.47643409 1.77379467 -2.4710595 -3.76651705 0.26527627 -4.49221573 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6610-29-3 2723853 144212489 Z Ac N-Methylhydrazinecarbothioamide CNC(=S)NN Tox21_302172 -NCGC00255316-01 196728483 tox21-ror-cho-viability-p1 set3 4 6.1130564862 12.7749250959 -4.2749250959 8.5 4.9549173134 0.6792553587 0.0581453941 3.03804139 -0.74099688 -1.54483679 -8.56243758 -6.81869753 -3.36104903 -8.47487119 -4.54671724 -2.41065394 -3.40563793 -8.5538934 7.51108013 6.01979335 10.6865772 2.42019652 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24526-64-5 4528 144212072 A A Nomifensine Nc3cccc1c3CN(C)CC1c2ccccc2 Tox21_301755 -NCGC00256045-01 196728489 tox21-ror-cho-viability-p1 set3 4 61.130564862 -17.1870509279 1 -16.1870509279 1.59358881 0.5558935887 0.1314259158 -6.53934466 1.57557933 1.29660343 -0.32748532 3.69832797 0.1414573 2.89133573 2.53345911 3.75360972 2.6931731 1.4212974 -5.66881396 -0.0772715 -3.77068897 -11.82254244 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18039-42-4 87425 144212001 A A 5-Phenyl-1H-tetrazole c1ccc(cc1)c2nnnn2 Tox21_301684 -NCGC00255723-01 196728898 tox21-ror-cho-viability-p1 set3 4 3.3713098054 -6.420305708 3.5 -2.920305708 0.7 0.4398561228 0.2365544186 1.0848828 7.23377807 4.77730519 -0.05911921 4.12408914 2.08251198 5.71725184 2.28735047 1.07195092 -1.57234884 3.37719717 -2.54873848 1.58528504 -4.93358809 -1.08019797 1.1609999999E-9 2.5959999999E-9 5.804E-9 1.298E-8 2.9019999999E-8 6.489E-8 1.451E-7 3.245E-7 7.255E-7 0.000001622 0.000003628 0.000008112 0.00001814 0.00004056 0.000090689999999 98-66-8 7400 144212389 Ac Ac 4-Chlorobenzenesulfonic acid OS(=O)(=O)c1ccc(Cl)cc1 Tox21_302072 -NCGC00255446-01 196728909 tox21-ror-cho-viability-p1 set3 4 13.6854287769 10.237735688 -4.237735688 6 3.9899729863 0.6484767127 0.077501798 0 -0.25621387 -4.49261122 -6.17638867 -5.96120042 -2.20314391 -3.52698497 -6.38294574 -4.56448124 -5.84567981 -3.52375305 -6.86477974 5.75368455 4.57322241 -6.44380651 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 459-57-4 68023 144212439 F A 4-Fluorobenzaldehyde O=Cc1ccc(F)cc1 Tox21_302122 -NCGC00249885-01 196722839 tox21-ror-cho-viability-p1 set3 4 0.0026603212 -17.3271517 18 0.6728483 0.2 0.3853600414 0.3038915997 13.96320309 10.25840052 6.49667845 8.53311274 5.2021426 5.9667773 5.53490862 6.07466002 13.02848747 7.27432158 -2.35595975 3.16941505 4.194502 3.32812399 6.92477693 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4245-41-4 9818306 170465258 F A Estradiol acetate CC(=O)Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)CC[C@@H]12)c4cc3 Tox21_113661 -NCGC00181297-01 196722833 tox21-ror-cho-viability-p1 set3 2.4 29.8492948118 28.6718255401 0.8281744599 29.5 2.4729283767 0.9099820012 0.0001908828 -1.03208698 0.27094277 0.72037754 5.24875667 -0.98279628 3.93449104 -1.39318795 -0.32714509 -0.19999816 1.95184201 0.51419001 -0.29441977 2.71594457 8.67342195 22.52660981 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 78266-06-5 54158 144206328 A A Mebrofenin Cc1cc(C)c(Br)c(C)c1NC(=O)CN(CC(=O)O)CC(=O)O Tox21_112775 -NCGC00092315-02 196722836 tox21-ror-cho-viability-p1 set3 4 0.6682424727 6.0069930399 -1.0069930399 5 4.9549173134 0.4680115475 0.2087184757 4.01198356 0.06827278 -6.6724942 3.9621763 -3.99828501 0 0 -2.05644856 -5.16387021 5.09321757 5.85220865 5.72436042 1.95188247 3.36032619 6.37732594 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 178600-17-4 158793 170466782 A ZD 2079 Cl.O=C(O)Cc2ccc(OCCNC[C@H](O)c1ccccc1)cc2 Tox21_113587_1 -NCGC00181010-02 196722837 tox21-ror-cho-viability-p1 set3 4 0.118832183 16.4002969759 -6.9002969759 9.5 0.2 0.3907993522 0.2818288215 -2.6734221 -4.50024748 -0.45220903 -0.01198111 -1.72304099 -0.11632409 5.81313473 0.43716192 -1.66649969 7.96638061 4.77367698 -2.29663518 5.46326896 0.56932171 11.14674908 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54240-36-7 6917754 170465921 A Mabuterol hydrochloride Cl.Nc1c(cc(cc1Cl)C(O)CNC(C)(C)C)C(F)(F)F Tox21_112660_1 -NCGC00178555-02 196722840 tox21-ror-cho-viability-p1 set3 4 0.5308038637 -4.9423709879 -1.5 -6.4423709879 3.0654483358 0.514860229 0.1842535055 -4.13924202 -1.88259309 -1.17257126 -2.71891839 -0.23568832 -3.65636549 1.88043912 -0.59825224 -0.43117259 -9.11864249 -3.11460726 -7.49609252 -8.237184 -4.13964834 6.54323091 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 219861-08-2 146571 170465453 A Escitalopram oxalate O=C(O)C(=O)O.CN(C)CCC[C@]2(OCc1cc(ccc12)C#N)c3ccc(F)cc3 Tox21_111535_1 -NCGC00015675-08 196723248 tox21-ror-cho-viability-p1 set3 4 1.9331181962 -6.506916904 -0.5 -7.006916904 4.9549173134 0.4656231137 0.2277054361 -0.51378414 0.56309603 1.64363736 0.91979447 -6.52112767 -0.49034133 -0.89006508 -1.48929047 2.78940373 -2.21344267 -13.33909742 -0.39230807 -7.50249716 -7.8049126 3.06040299 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00179333-03 196723658 tox21-ror-cho-viability-p1 set3 4 1.8833631789 -3.820112796 -0.5 -4.320112796 3.5117481694 0.3675331167 0.3239716918 1.0731826 1.57179881 -1.09968622 -1.782707 -2.92874057 -2.24773537 -1.44684638 -2.31731205 2.83635663 3.66463151 -3.51678716 -3.05900193 -6.93342733 -2.48110248 6.21843232 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 86-34-0 6839 170465315 A Phensuximide O=C1C(CC(=O)N1C)c2ccccc2 Tox21_110382_1 -NCGC00255706-01 196700880 tox21-ror-cho-viability-p1 set1 4 1.88309113 -4.46171234 -8.74565907 -2.11938227 -0.11231662 -7.98386514 0.17263438 1.1273748 -0.24049421 -1.62096625 1.17689967 0.85801233 -1.33738181 -2.60898097 2.24894595 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 824-39-5 69985 144211778 A A Sodium 2-nitrophenolate [Na+].O=[N+]([O-])c1ccccc1[O-] Tox21_301461 -NCGC00256069-01 196700470 tox21-ror-cho-viability-p1 set1 4 0.0343762429 -11.153892576 -0.5 -11.653892576 1.8851180601 0.7647445002 0.0154681124 -4.22790264 3.1419994 -0.96466802 -2.18857404 -4.65596084 -10.6810594 -9.42238662 -14.02438868 -13.2598008 -15.54491048 -6.81525716 -7.72367969 -11.26193684 -13.16557696 -12.20241793 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6701-13-9 81196 144212120 A Ac 1,10-Decanediol dimethacrylate C=C(C)C(=O)OCCCCCCCCCCOC(=O)C(=C)C Tox21_301803 -NCGC00256114-01 196700481 tox21-ror-cho-viability-p1 set1 4 4.36237593 2.01075062 -1.90263304 -1.6294092 -1.58338184 3.6402266 1.06127577 0.11340573 -3.28558612 -1.08513979 1.41606624 2.77190679 -0.04098252 -0.99491961 -1.53473539 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-00-5 7116 144211822 A Fc 6-Aminonaphthalene-2-sulfonic acid O=S(=O)(O)c1ccc2cc(N)ccc2c1 Tox21_301505 -NCGC00091086-02 196700487 tox21-ror-cho-viability-p1 set1 4 0.0108707225 -16.1116309839 0.917538124 -15.1940928599 0.5999999999 0.5355272463 0.1477101562 -2.56871823 -4.05989636 -3.17201232 -9.50063759 -16.80676114 -2.67602058 -10.62441304 -18.24095024 -9.21746435 -20.16174405 -14.07990851 -15.59878954 -16.92950109 -14.10358765 -11.99302985 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00255975-01 196710721 tox21-ror-cho-viability-p1 set2 4 0.4178355 -4.22667173 -0.00673335 -1.29794942 -4.73410052 -4.04170776 -0.21679156 -0.40164275 -1.56451113 0.15726935 0.18361925 -2.23934818 -0.91247121 0.01711371 -0.82383921 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 765-15-1 69827 144212241 A Ac Lauryl thiocyanate N#CSCCCCCCCCCCCC Tox21_301924 -NCGC00255547-01 196710708 tox21-ror-cho-viability-p1 set2 4 -0.26340662 0.74068216 0.36288426 -0.42076653 0.51297283 2.73114571 1.99433401 1.76669077 -1.07494466 1.8671926 1.21163974 0.45401187 0.81806673 3.44960543 -0.08962754 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-24-1 66598 144212566 A Bc Ethyl 2-methylbenzoate O=C(OCC)c1ccccc1C Tox21_302249 -NCGC00255329-01 196710716 tox21-ror-cho-viability-p1 set2 4 4.56787606 -3.04774163 -0.35319114 -0.34360346 -1.55833751 -0.8793301 -0.82920676 -1.33978559 0.18453139 -1.74599266 2.22385492 -1.35098802 -0.0594513 3.32763853 2.68115096 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-51-3 31260 144212676 Ac Isopentyl alcohol CC(C)CCO Tox21_302359 -NCGC00090789-02 196710719 tox21-ror-cho-viability-p1 set2 4 2.40900427 1.40214398 0 2.66203019 1.98841998 0.5566337 -0.63981572 -0.41630519 1.12956139 0.88264852 0.51029027 -0.79492215 1.62224874 2.56318487 -1.30688721 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00256236-01 196710724 tox21-ror-cho-viability-p1 set2 3 24.8536226785 47.8780348323 2.0623972939 49.9404321262 4.9549173134 0.9638258431 0.0000039681 3.67878593 5.43653487 2.73797226 0.61378787 5.94999216 3.5304844 0.94443051 1.12182122 0.16234449 -0.00718629 -0.00427649 0.05931468 6.50973017 49.28260529 1.94835892 1.0909999999E-9 2.44E-9 5.4559999999E-9 1.22E-8 2.7279999999E-8 6.0999999999E-8 1.3639999999E-7 3.05E-7 6.82E-7 0.0000015249999999 0.00000341 0.000007625 0.00001705 0.00003813 0.00008525 64-72-2 54682468 144212027 I I Chlortetracycline hydrochloride Cl.NC(=O)C1=C(O)[C@@H](N(C)C)[C@@H]2C[C@H]4C(=C(O)[C@]2(O)C1=O)C(=O)c3c(O)ccc(Cl)c3[C@@]4(C)O Tox21_301710 -NCGC00255780-01 196710730 tox21-ror-cho-viability-p1 set2 4 27.3060203028 8.2248958199 -4.2248958199 4 1.4780888099 0.4215161917 0.2534681502 -1.70479592 -5.19628812 -4.99554309 -4.74067625 -2.12477981 -3.2680457 -6.19840939 -9.35407985 -4.35395247 0.86596125 -7.6608214 0.34593394 -3.81292436 2.7344497 2.52460004 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5471-51-2 21648 144211776 A A 4-(4-Hydroxyphenyl)butan-2-one Oc1ccc(CCC(C)=O)cc1 Tox21_301459 -NCGC00255684-01 196711130 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -47.6130608579 0.2717424839 -47.341318374 4.5044702849 0.9602210759 0.0000023821 0.06588993 2.84178316 2.12319459 4.71010026 1.77053785 -0.56144861 -0.70339873 -1.31488816 -0.067348 0.55823641 -0.39396095 -1.0543193 -3.9023245 -3.50022339 -37.5724749 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26172-54-3 117746 144212252 A A 2-Methyl-4-isothiazolin-3-one hydrochloride Cl.O=C1C=CSN1C Tox21_301935 -NCGC00255800-01 196711131 tox21-ror-cho-viability-p1 set2 4 68.5896218971 17.7139066999 -12.2139066999 5.5 4.9549173134 0.5468222327 0.1385615889 -11.4336207 -12.90967826 -12.84295809 -15.71983606 -9.74056724 -12.19258022 -14.89717539 -19.34492225 -9.3841442 -6.44121754 -9.45742585 -8.60443023 -16.82206061 -12.80930627 2.38114016 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3731-52-0 31018 144212391 F F 3-(Aminomethyl)pyridine NCc1cccnc1 Tox21_302074 -NCGC00256850-01 196708241 tox21-ror-cho-viability-p1 set1 4 1.91352582 2.23625474 0.85680983 -0.66572454 0.72756656 0.6166632 -0.64104317 0.01500575 -0.00664701 0.73330037 1.86425244 6.0381503 -0.08465892 1.82146272 8.38203253 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 16587-71-6 27941 144212777 A A 4-(tert-Pentyl)-cyclohexanone CCC(C)(C)C1CCC(=O)CC1 Tox21_302460 -NCGC00256683-01 196707839 tox21-ror-cho-viability-p1 set1 4 0.0485577337 -9.721628832 -2 -11.721628832 0.8999999999 0.3762072031 0.2953863672 -10.38972135 -4.13155341 1.09560116 0.68543875 -6.4922739 -10.84359553 -11.85171248 -7.09310262 -5.72270971 -15.50263575 -10.95322667 -16.85135736 -11.13538381 -8.87498565 -9.28502814 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 104-53-0 7707 144212811 Z F 3-Phenylpropanal O=CCCc1ccccc1 Tox21_302494 -NCGC00257260-01 196707840 tox21-ror-cho-viability-p1 set1 4 -4.23185885 0.14383011 2.41883885 1.60774693 -3.4062598 -1.05678347 -1.04739447 -2.89880825 -4.55538809 -10.46416645 0.31397232 -11.72086246 0.11704359 -4.31850409 -4.51840935 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-13-2 7694 144213756 A A 4-Butylaniline Nc1ccc(CCCC)cc1 Tox21_303446 -NCGC00090780-04 196708239 tox21-ror-cho-viability-p1 set1 4 0.10075391 -1.27340188 2.25527759 2.45031497 1.42876798 1.9269644 -0.65392789 2.29856866 -0.23658053 -0.30208001 -0.27975325 1.26559982 1.90132214 1.85934449 -0.32360348 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00257452-01 196708250 tox21-ror-cho-viability-p1 set1 4 3.68365818 0.64938051 0.13675327 0.17440262 -0.55926807 1.52231111 0.7147828 0.54089176 3.46818809 0.97821786 -1.29357012 5.6127921 -0.21647591 1.31636907 2.41545856 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-17-1 61056 144213765 A A 2,6,8-Trimethyl-4-nonanol CC(C)CC(C)CC(O)CC(C)C Tox21_303455 -NCGC00259019-01 196705579 tox21-ror-cho-viability-p1 set1 4 68.729149849 -16.687143268 1.5 -15.187143268 4.5044702849 0.8174401785 0.0054919447 5.37662071 2.36664238 2.03364039 0.91816355 0.96683187 2.92179538 2.14225996 0.88553343 3.24137738 -1.92708865 0.22718504 0.46853442 0.74330145 -0.00997544 -11.82261939 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.61E-8 1.4779999999E-7 3.305E-7 7.3899999999E-7 0.0000016519999999 0.0000036949999999 0.000008262 0.000018469999999 0.00004131 0.00009237 989-51-5 65064 144208666 A B (-)-Epigallocatechin gallate Oc1cc(cc(O)c1O)C(=O)O[C@@H]3Cc2c(cc(O)cc2O)O[C@@H]3c4cc(O)c(O)c(O)c4 Tox21_201468 -NCGC00259728-01 196705583 tox21-ror-cho-viability-p1 set1 4 7.6411304595 7.388661016 -7.888661016 -0.5 4.9549173134 0.4355083125 0.2387430961 -9.14821845 -0.95570707 -7.74235222 -13.71075877 -7.09682262 -8.63790735 -5.32175919 -8.82411856 -5.14619405 -5.87388562 -16.57388418 -3.05400804 -0.84421683 -1.60602093 0.92849383 1.173E-9 2.622E-9 5.863E-9 1.311E-8 2.931E-8 6.5549999999E-8 1.466E-7 3.277E-7 7.329E-7 0.0000016389999999 0.000003664 0.000008194 0.00001832 0.000040969999999 0.00009161 541-73-1 10943 144209377 AC F 1,3-Dichlorobenzene Clc1cccc(Cl)c1 Tox21_202179 -NCGC00259142-01 196705977 tox21-ror-cho-viability-p1 set1 4 1.3699347342 18.7200410921 -22.473863024 -3.7538219319 0.2 0.332115543 0.3375314351 -20.01106017 -13.40960793 -18.60737489 -20.81155252 -15.35547186 -15.79111609 -17.4986499 -12.82739128 -17.38259801 -19.12901866 -2.29485161 -4.75077692 -12.69730151 -14.77799266 -9.60430661 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.00004125 0.000092249999999 78-51-3 6540 144208791 A A Tris(2-butoxyethyl) phosphate CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC Tox21_201593 -NCGC00090874-04 196705982 tox21-ror-cho-viability-p1 set1 4 27.6395842712 -8.58464518 0 -8.58464518 4.9549173134 0.4263122896 0.2669317596 -6.77547244 1.83749946 1.26809324 -0.68887676 1.44791278 -0.81790038 -0.09069161 0.02207315 4.15050477 0.45936131 0.51373918 -1.11347766 -0.91399889 -7.57053765 0.25812041 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00259360-01 196705995 tox21-ror-cho-viability-p1 set1 4 0.015417787 -8.5889270241 10 1.4110729759 3.9294729863 0.5198959863 0.1614397912 2.12035546 8.6016672 19.62509537 6.19928617 1.93069184 1.5321265 -0.49077252 1.22926925 2.53541276 3.10421058 0.5979395 1.34134217 1.24844843 1.07700264 1.35964378 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.961E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008275 0.0000185 0.00004138 0.000092519999999 118-55-8 8361 144209009 A A Phenyl salicylate Oc2ccccc2C(=O)Oc1ccccc1 Tox21_201811 -NCGC00259226-01 196705999 tox21-ror-cho-viability-p1 set1 -1.1 2.6862323589 -88.8855327655 1.785361971 -87.1001707945 1.98874246 0.9859737687 6E-9 1.66239928 2.6420107 -1.12757939 2.18715937 -0.64464413 1.75110403 2.24299206 1.18586986 3.08690095 -31.22757201 -46.57074523 -83.51956164 -89.05947934 -86.74813744 -82.47393785 1.164E-9 2.602E-9 5.819E-9 1.301E-8 2.91E-8 6.506E-8 1.4549999999E-7 3.253E-7 7.274E-7 0.0000016269999999 0.0000036369999999 0.0000081329999999 0.00001819 0.000040659999999 0.00009093 120-72-9 798 144208875 B B Indole c1cccc2nccc12 Tox21_201677 -NCGC00090686-07 196706001 tox21-ror-cho-viability-p1 set1 4 5.39956698 11.46944211 5.43125081 3.03526615 4.63739473 -0.38088956 3.74013626 -0.73206732 11.11185417 3.36649687 2.72836258 2.14941611 1.95380982 0.94761794 0.3041385 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00159383-04 196705173 tox21-ror-cho-viability-p1 set1 4 1.09503664 0.84230589 0.51050818 3.03790704 1.44649491 1.3462968 0.87021815 2.72643827 -0.66859138 0.08150352 0.59296044 -0.2361345 1.07631358 2.12253165 1.53669274 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2315-68-6 16846 170465563 F Propyl benzoate O=C(OCCC)c1ccccc1 Tox21_111621_1 -NCGC00015766-13 196704766 tox21-ror-cho-viability-p1 set1 4 29.8492948118 8.0878827681 0.4121172319 8.5 4.9549173134 0.3629102296 0.3112669112 -0.86648052 0.73232586 0.00620832 -0.72889056 0.68156341 6.66648739 -1.18283746 -1.37225682 -2.57323564 5.13349318 0.5428271 -0.53295337 -0.92345942 1.5868685 7.43029575 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1491-59-4 4636 170464916 A Oxymetazoline hydrochloride CC(C)(C)c2cc(C)c(CC1=NCCN1)c(C)c2O Tox21_110217_1 -NCGC00015053-10 196704771 tox21-ror-cho-viability-p1 set1 4 23.7101376556 -10.581995152 -0.5 -11.081995152 2.4063783767 0.5791807905 0.1140731739 0.72349616 -2.76645951 -2.42232434 -1.62242859 -2.3896103 -3.01537109 -0.26527932 -0.39747367 0.26820148 3.59976841 3.72910549 1.15183992 -2.85668942 -4.52324372 -9.23499596 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80809-81-0 1967 170466471 A Docebenone O=C1C(C)=C(C)C(=O)C(C)=C1CCCCC#CCCCC#CCO Tox21_110072_1 -NCGC00163168-03 196704774 tox21-ror-cho-viability-p1 set1 4 3.46115726 3.64029774 5.05177827 3.93817764 5.60078908 -2.22569968 -0.26025897 5.49309582 3.8875372 -1.08210046 0.20954256 4.18581759 -2.33073315 -0.41111762 4.0463591 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64795-35-3 68848 170466174 A Mesulergine CN(C)S(=O)(=O)N[C@H]2C[C@@H]3c4cccc1c4c(cn1C)C[C@H]3N(C)C2 Tox21_112023_1 -NCGC00095082-06 196705177 tox21-ror-cho-viability-p1 set1 4 0.12174313 0.37258237 -5.07601058 1.26686095 -4.73232136 -7.81446542 -1.0633679 -6.61713739 0.68070976 -3.50300334 -4.84876488 -0.46103848 -0.42468693 0.36920515 0.7313789 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 96-83-3 3735 170465056 A Iopanoic acid Ic1cc(I)c(N)c(I)c1CC(CC)C(=O)O Tox21_110394_1 -NCGC00257666-01 196729720 tox21-ror-cho-viability-p1 set3 4 1.14351475 1.99771384 -0.12122589 -0.89825209 1.65538295 0.85999372 -0.48758604 -0.66802242 -0.33092857 3.81368474 0.49236186 0.00163254 3.34143569 1.74204514 -0.45082943 1.1859999999E-9 2.6519999999E-9 5.929E-9 1.326E-8 2.964E-8 6.629E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.0000037059999999 0.000008286 0.00001853 0.000041429999999 0.00009264 98-55-5 17100 144207310 A B alpha-Terpineol CC1=CCC(CC1)C(O)(C)C Tox21_200112 -NCGC00258058-01 196729312 tox21-ror-cho-viability-p1 set3 4 71.2486674121 -23.6870092199 -0.5 -24.1870092199 4.9549173134 0.9442731642 0.0000153762 -2.17405318 -0.88620826 0.30615473 -0.71407517 -0.32746231 -0.17592012 -1.08100036 -0.82393653 -1.541118 -0.49445049 -0.74475826 -0.11976541 3.02475298 -0.73198669 -19.73917435 1.218E-9 2.7239999999E-9 6.092E-9 1.3619999999E-8 3.046E-8 6.811E-8 1.5229999999E-7 3.406E-7 7.6149999999E-7 0.000001703 0.000003808 0.0000085139999999 0.000019039999999 0.00004257 0.000095189999999 934-00-9 13622 144207702 A A 3-Methoxycatechol COc1cccc(O)c1O Tox21_200504 -NCGC00258084-01 196729317 tox21-ror-cho-viability-p1 set3 4 14.9968494186 10.865361068 -3.865361068 7 0.6 0.6732676759 0.0519252126 -1.59528414 -4.13151701 -3.11185193 -7.38780089 -4.04852571 -6.51579143 -0.13100536 -0.20030675 -3.78898262 -0.76496789 0.68692959 -1.11469793 1.026246 3.37661645 5.22111422 1.157E-9 2.587E-9 5.784E-9 1.293E-8 2.892E-8 6.467E-8 1.446E-7 3.234E-7 7.2309999999E-7 0.000001617 0.000003615 0.000008084 0.000018079999999 0.00004042 0.000090379999999 565-61-7 11262 144207728 FC 3-Methyl-2-pentanone CC(CC)C(C)=O Tox21_200530 -NCGC00257558-01 196729722 tox21-ror-cho-viability-p1 set3 4 -4.46825719 -0.41303719 -1.50900886 0.80390163 -0.37905972 -2.93355892 -4.31017404 -2.68838759 2.95147744 0 -17.10931959 0 -6.11258808 -8.63996724 -1.52643652 1.177E-9 2.6319999999E-9 5.884E-9 1.316E-8 2.942E-8 6.579E-8 1.471E-7 3.29E-7 7.356E-7 0.000001645 0.0000036779999999 0.000008224 0.00001839 0.000041119999999 0.000091939999999 3446-89-7 76985 144207202 A F 4-(Methylthio)benzaldehyde CSc1ccc(C=O)cc1 Tox21_200004 -NCGC00258649-01 196729727 tox21-ror-cho-viability-p1 set3 4 -4.57833324 0.80057694 -4.16730276 -1.25718771 -3.72444122 -1.0037811 -0.78259377 0.11431038 0.11970444 -0.09804176 0.37474496 -0.22463158 -3.71402048 0.17751203 -0.90466851 1.173E-9 2.622E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.3299999999E-7 0.0000016389999999 0.000003665 0.000008195 0.00001832 0.000040969999999 0.00009162 504-20-1 10438 144208295 A Ac Phorone C\C(C)=C/C(=O)/C=C(/C)C Tox21_201097 -NCGC00258235-01 196729735 tox21-ror-cho-viability-p1 set3 4 -1.63716508 2.19704859 -0.33556436 1.29865253 1.52997385 2.92776698 -2.55104639 1.14080811 2.24884761 1.43274607 0.71522226 0.47180056 8.323514 2.43958437 2.23376495 1.1469999999E-9 2.5649999999E-9 5.7359999999E-9 1.2829999999E-8 2.868E-8 6.413E-8 1.434E-7 3.2069999999E-7 7.1709999999E-7 0.000001603 0.000003585 0.000008017 0.00001793 0.000040079999999 0.00008963 3030-47-5 18196 144207879 A F 1,1,4,7,7-Pentamethyldiethylenetriamine CN(C)CCN(C)CCN(C)C Tox21_200681 -NCGC00258689-01 196729736 tox21-ror-cho-viability-p1 set3 4 0.63814716 5.111493 5.6954264 2.30200283 1.93194531 0.78744543 1.92417324 -0.6920481 -0.58095826 1.43084328 -0.67419315 1.58823158 0.20219635 2.49848393 -0.47484696 1.1689999999E-9 2.614E-9 5.8459999999E-9 1.3069999999E-8 2.9229999999E-8 6.536E-8 1.461E-7 3.268E-7 7.3069999999E-7 0.0000016339999999 0.000003653 0.000008169 0.00001827 0.00004085 0.00009134 14375-45-2 5375199 144208335 A A Abscisic acid OC1(/C=C/C(/C)=C\C(=O)O)C(C)=CC(=O)CC1(C)C Tox21_201137 -NCGC00258717-01 196729739 tox21-ror-cho-viability-p1 set3 4 60.8819825247 16.43560376 -0.93560376 15.5 3.2974983358 0.9002358187 0.0003264919 -0.44236569 -3.05288356 -0.79681741 -2.13876915 0.38977149 -0.34467686 -1.3081 -3.2796698 -0.94933706 -1.06781395 0.3870716 0.57742517 -0.56352944 2.54834521 11.93739446 1.1759999999E-9 2.63E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.576E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.00000822 0.000018379999999 0.0000411 0.0000919 520-18-3 5280863 144208363 A A Kaempferol Oc1ccc(cc1)C=3Oc2cc(O)cc(O)c2C(=O)C=3O Tox21_201165 -NCGC00257717-01 196730149 tox21-ror-cho-viability-p1 set3 4 0.59377354 2.47327872 3.09280838 1.46080862 0.0826095 1.30271768 0.02371414 6.1947935 1.22117981 0.15292492 0.44156019 1.48431494 -1.79709338 -1.47772365 -2.06900282 1.2049999999E-9 2.695E-9 6.0249999999E-9 1.347E-8 3.013E-8 6.736E-8 1.506E-7 3.368E-7 7.5309999999E-7 0.0000016839999999 0.000003766 0.0000084199999999 0.000018829999999 0.0000421 0.000094139999999 628-13-7 10176127 144207361 A D Pyridine hydrochloride Cl.c1ccccn1 Tox21_200163 -NCGC00257883-01 196729799 tox21-ror-cho-viability-p1 set3 4 2.87902106 2.22375398 -20.80016201 0.99458419 -13.07697421 3.17671568 -8.39513905 -10.90009227 -23.81157228 0 -0.21643525 0 -7.75698724 -7.23645015 -13.65234052 1.1699999999E-9 2.6159999999E-9 5.849E-9 1.3079999999E-8 2.9239999999E-8 6.539E-8 1.462E-7 3.27E-7 7.311E-7 0.000001635 0.0000036549999999 0.0000081739999999 0.00001828 0.000040869999999 0.000091389999999 551-06-4 11080 144207527 D alpha-Naphylisothiocyanate S=C=N\c2cccc1ccccc12 Tox21_200329 -NCGC00258159-01 196729383 tox21-ror-cho-viability-p1 set3 4 1.95398706 0.29253227 -0.67169469 3.04262334 3.23284137 4.20606403 0.22031952 2.4240222 -0.112746 -1.18927164 1.28866378 3.69786691 -0.01196691 0.16611481 5.99716978 1.193E-9 2.667E-9 5.964E-9 1.3339999999E-8 2.982E-8 6.668E-8 1.491E-7 3.3339999999E-7 7.455E-7 0.0000016669999999 0.000003728 0.000008335 0.00001864 0.00004168 0.00009319 65039-10-3 11321106 144207803 A A 1-Allyl-3-methylimidazolium chloride [Cl-].C[n+]1ccn(CC=C)c1 Tox21_200605 -NCGC00258756-01 196729398 tox21-ror-cho-viability-p1 set3 4 9.8859291874 -23.139478584 3.5 -19.639478584 0.5 0.8701996399 0.0011549522 1.42254479 3.69383141 5.73781856 2.13512782 -0.42754271 3.01874424 0.14739185 1.2114919 -2.35530903 -1.53506317 -10.67943756 -3.71800325 -9.00637407 -12.67266364 -14.28289882 1.1999999999E-9 2.684E-9 6.001E-9 1.3419999999E-8 3.0009999999E-8 6.71E-8 1.5E-7 3.355E-7 7.5019999999E-7 0.000001677 0.0000037509999999 0.000008387 0.00001875 0.000041939999999 0.000093769999999 52806-53-8 91649 144208402 A A Hydroxyflutamide O=C(Nc1cc(c(cc1)[N+]([O-])=O)C(F)(F)F)C(C)(C)O Tox21_201204 -NCGC00258099-01 196729401 tox21-ror-cho-viability-p1 set3 -2.4 48.854168593 -26.159585008 -1 -27.159585008 2.4063783767 0.7537259824 0.0184232065 1.74999096 -0.90605764 2.50281889 0.18729146 -1.50499176 0.93013616 -8.74297767 -8.68884561 -0.00681412 -0.01315104 0.79015706 0.4691136 -0.33284027 -12.51723994 -22.21632084 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003707 0.0000082899999999 0.00001854 0.00004145 0.00009269 17696-62-7 87250 144207743 B B Phenylparaben O=C(Oc1ccccc1)c2ccc(O)cc2 Tox21_200545 -NCGC00274081-01 196698343 tox21-ror-cho-viability-p1 set1 4 0.5955717307 -3.7631300519 2 -1.7631300519 3.1319983358 0.3438725332 0.3300113555 0.87592059 7.06679835 -1.84869035 -0.02585177 -0.21460955 4.63076465 0.9418768 5.0516528 1.14154554 -0.99705349 -0.8137424 -3.13594171 -3.07952113 -0.40180244 0.16229297 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33996-33-7 65784 170466355 A Oxaceprol O[C@@H]1C[C@@H](C(=O)O)N(C1)C(=O)C Tox21_112152_1 -NCGC00091426-02 196697917 tox21-ror-cho-viability-p1 set1 4 -1.88623944 -1.88485484 0.63306031 -0.94039588 -0.84701847 -2.97595226 0.53429216 -0.29481324 0.64814797 4.57245747 -0.94641835 0.08456598 -0.16351405 0.12924922 -0.75566954 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00016012-12 196697931 tox21-ror-cho-viability-p1 set1 4 29.8492948118 -23.290618024 0 -23.290618024 4.0949729863 0.9115637134 0.0001748213 -0.43809057 1.89666839 0.55096244 0.69597259 0.95812325 2.65630689 -0.84494624 0.45875192 0.13318865 0.59809315 0.96894667 -4.72372445 0.05072083 -4.27496247 -19.82551502 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1098-60-8 66069 170465325 A Triflupromazine hydrochloride Cl.FC(F)(F)c1cc2N(CCCN(C)C)c3ccccc3Sc2cc1 Tox21_111276_1 -NCGC00016598-02 196698338 tox21-ror-cho-viability-p1 set1 4 -1.03916484 -1.38308237 -0.78805015 -5.70153551 2.58169493 -0.59089861 -0.31742673 0.22694837 2.30764439 2.58824479 0.08075809 0.4335911 -4.93353639 0.59526397 -0.25205593 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1986-47-6 2723716 170465361 A Tranylcypromine hydrochloride Cl.N[C@@H]2C[C@H]2c1ccccc1 Tox21_110514_1 -NCGC00016740-18 196698345 tox21-ror-cho-viability-p1 set1 -2.4 16.3534627896 -27.93670688 3 -24.93670688 4.9549173134 0.8542057866 0.0019826478 1.6814302 3.26348015 6.88907647 3.56972011 -0.4105643 1.37970393 2.06345769 7.47989432 -0.23270947 2.0805828 1.73054856 6.86668845 -0.47104826 3.22671336 -24.1139224 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 19216-56-9 4893 170465415 A Prazosin O=C(N1CCN(CC1)c3nc2cc(OC)c(OC)cc2c(N)n3)c4ccco4 Tox21_113646_1 -NCGC00262962-01 196698348 tox21-ror-cho-viability-p1 set1 4 -1.11238132 0.02736631 -1.32832186 -1.28752624 -0.87640398 0.54971966 -0.09240226 -2.32296074 -1.18016523 -0.90539127 -0.52127621 -0.50803488 1.32038208 6.88133404 -2.2409232 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5919-74-4 65442 170466779 F A Glyceryl methacrylate OCC(O)COC(=O)C(=C)C Tox21_113953 -NCGC00188346-02 196698352 tox21-ror-cho-viability-p1 set1 -2.2 2.9849294812 -63.4459491098 1.3655477739 -62.0804013359 0.5999999999 0.9596651676 0.0000025662 1.07187126 -3.89449367 2.11085448 1.98262742 -3.18078906 0.52482557 -6.7376827 -8.94431847 -10.88529049 -14.12673136 -36.02583445 -31.86818731 -36.36894955 -45.53284628 -54.23366778 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1092351-67-1 24905147 170466897 A PP242 Oc1cc2cc(nc2cc1)c4nn(c3ncnc(N)c34)C(C)C Tox21_113072_1 -NCGC00254807-01 196698757 tox21-ror-cho-viability-p1 set1 4 -0.31457833 -4.48612533 -3.57399551 -2.47188958 -6.21045952 -4.30991408 -0.42300027 -1.79778225 -2.73439949 0.58301694 -7.60165531 -0.43468992 0.45774467 -0.65722637 -6.98808325 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10042-59-8 24847 144211220 A A 2-Propyl-1-heptanol CCCCCC(CCC)CO Tox21_300903 -NCGC00254882-01 196719595 tox21-ror-cho-viability-p1 set3 4 2.1689942904 -8.8620991879 0.5 -8.3620991879 4.9549173134 0.4151585494 0.2574020215 -2.62641329 -8.50146707 -0.24500262 3.96467064 1.50396336 1.47172085 0.90807218 1.13153479 1.75345838 3.02906708 -18.21841599 -11.66608763 0.40711807 -9.3145037 -4.61469634 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84-74-2 3026 144211297 A A Dibutyl phthalate O=C(OCCCC)c1ccccc1C(=O)OCCCC Tox21_300980 -NCGC00256847-01 196719155 tox21-ror-cho-viability-p1 set2 4 -0.59611308 0.53309334 -0.58426345 -0.74845347 3.28110253 -0.48425072 0.01445584 -0.52741288 -1.09844407 -0.20274184 0.55931668 9.22785575 0.47308762 -0.02476235 0.91927549 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 32780-64-6 71412 144213042 A A Labetalol hydrochloride Cl.O=C(N)c1cc(ccc1O)C(O)CNC(C)CCc2ccccc2 Tox21_302725 -NCGC00254151-01 196719587 tox21-ror-cho-viability-p1 set3 4 10.55259428 -2.69258797 10.84421357 -1.4382242 12.56692077 -0.29598386 8.72666096 9.74062335 3.81347559 7.02664093 13.3149305 0 0.4203546 4.59711376 -7.89833491 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 262376-75-0 9882837 144210547 C D HMR1426 Clc1cc2CC3SC(=NC3(O)c2cc1)c4ccccc4 Tox21_300227 -NCGC00254687-01 196719588 tox21-ror-cho-viability-p1 set3 4 0 4.05298594 -4.98018358 -2.54766432 2.19391059 -1.11163604 11.47380893 7.44258301 4.63132498 -2.90681692 6.13442487 4.47239718 0.71277802 3.42651142 4.0915325 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-40-9 66885 144211100 A A 2,2'-[Benzene-1,3-diylbis(oxy)]diethanol OCCOc1cccc(OCCO)c1 Tox21_300783 -NCGC00356963-01 196711963 tox21-ror-cho-viability-p1 set2 4 -20.44329668 -7.0231414 -20.82676885 -22.02893809 -13.10287175 -6.73704206 -12.72660454 0 -41.7641624 -2.72016628 -46.39854364 0 -11.80405667 -29.5201119 -19.44760888 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-29-0 8882 251919700 Cyclopentene C1C=CCC1 Tox21_303765 -NCGC00255629-01 196711138 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -22.871295252 -1.5 -24.371295252 3.9294729863 0.8385245587 0.0031750298 -5.68134798 -1.84288598 0.58485409 -4.29924064 -2.68091316 -0.27993631 1.16774142 0.48827303 0.24803805 -0.00130471 0.14359878 -2.03004898 -3.72385316 -3.98121949 -19.05941271 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21609-90-5 30709 144212220 A F Leptophos Clc2cc(OP(=S)(OC)c1ccccc1)c(Cl)cc2Br Tox21_301903 -NCGC00260487-01 196711547 tox21-ror-cho-viability-p1 set2 4 0.0974768815 4.70147936 0.79852064 5.5 4.4494702849 0.4895008082 0.1907402213 0.9906674 2.09472964 2.05224768 2.28906494 -0.95978323 -1.0012328 7.07142753 6.3356729 6.20247022 1.41866776 3.40915643 5.400756 6.30698295 9.01437391 2.23088541 1.1859999999E-9 2.651E-9 5.928E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009262 70-11-1 6259 144210139 F C 2-Bromoacetophenone O=C(CBr)c1ccccc1 Tox21_202941 -NCGC00260277-01 196711564 tox21-ror-cho-viability-p1 set2 4 -5.7414401 -22.42415323 -9.95779188 -3.68871231 -6.81729705 -1.51835189 -7.30873476 -13.51866188 -6.21932966 -21.54967983 -3.73688369 0 0 -7.64459489 1.874129 1.494E-10 3.34E-10 7.468E-10 1.67E-9 3.734E-9 8.349E-9 1.8669999999E-8 4.175E-8 9.335E-8 2.0869999999E-7 4.6669999999E-7 0.000001044 0.000002334 0.000005218 0.00001167 84776-26-1 144209927 Black cohosh Tox21_202729 -NCGC00163930-04 196711974 tox21-ror-cho-viability-p1 set2 4 0.24904461 -0.54822244 2.10435733 -0.65739656 0.12556481 2.43755872 -0.26297171 -16.72482878 0.22279772 2.33417022 -13.0334627 0.60625121 1.28866114 0.85389396 9.81470379 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00357053-01 196712378 tox21-ror-cho-viability-p1 set2 4 -3.69096398 -2.95726416 -1.62190564 -3.55800543 -2.5040444 -5.82576943 -15.66996665 -9.53736886 1.14051427 0 -2.90419637 -34.16044823 -74.97724033 -10.31341554 -3.04725756 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 6379-73-3 80790 251919813 A Carvacryl methyl ether Cc1ccc(cc1OC)C(C)C Tox21_303748 -NCGC00357217-01 196712387 tox21-ror-cho-viability-p1 set2 2.4 76.9588215421 30.5 1.5 32 4.9549173134 0.9445931576 0.0000148465 0.5100316 0.47979664 0.52428386 5.3528649 0.93122826 1.64576659 0.69460853 0.10117952 0.5935041 3.50049133 1.64488617 1.77270369 0.76018047 2.01315507 23.84204945 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3388-04-3 18819 251919778 F beta-(3,4-Epoxycyclohexyl)ethyltrimethoxysilane CO[Si](CCC1CC2OC2CC1)(OC)OC Tox21_303998 -NCGC00260456-01 196712388 tox21-ror-cho-viability-p1 set2 4 -0.58362213 2.61262389 1.9365657 -2.73063672 1.85144702 -1.62692903 -8.58823472 -19.57663281 -1.25111581 -10.08039003 1.54750601 -21.51470404 0.51772668 -1.0011771 -15.14297641 1.185E-9 2.6499999999E-9 5.927E-9 1.325E-8 2.9629999999E-8 6.626E-8 1.482E-7 3.3129999999E-7 7.408E-7 0.000001657 0.000003704 0.0000082829999999 0.00001852 0.000041409999999 0.000092599999999 2835-99-6 17819 144210108 Z Fns 4-Amino-m-cresol Cc1cc(O)ccc1N Tox21_202910 -NCGC00260314-01 196712389 tox21-ror-cho-viability-p1 set2 2.4 3.5538453515 30.592347356 1.407652644 32 1.4641 0.8883282938 0.0005594063 1.80352304 2.05003772 -1.32695613 -0.12898992 0.56567059 3.31395689 1.33570421 7.15692418 1.45306901 -0.81738591 3.53751516 3.28083012 6.88800023 11.24491994 24.24759347 7.509E-11 1.6789999999E-10 3.754E-10 8.3949999999E-10 1.877E-9 4.198E-9 9.386E-9 2.099E-8 4.693E-8 1.0489999999E-7 2.3469999999E-7 5.247E-7 0.000001173 0.000002624 0.0000058659999999 86508-42-1 120203 144209965 Perfluoro compounds, C5-18 FC(F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_202767 -NCGC00259925-01 196709509 tox21-ror-cho-viability-p1 set2 4 -0.4139805 -3.12470977 -1.42871428 -1.14900923 -0.71378354 0.78097742 0.44915137 -1.44569991 -0.0498453 -0.32305442 -1.40143332 -0.90170803 -1.35613067 -1.38423174 -1.77239601 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.3169999999E-8 2.9459999999E-8 6.587E-8 1.4729999999E-7 3.294E-7 7.365E-7 0.0000016469999999 0.0000036819999999 0.000008234 0.000018409999999 0.00004117 0.00009206 61445-50-9 12472902 144209574 A A 2,3',4,4'-Tetrahydroxybenzophenone Oc1ccc(cc1O)C(=O)c2ccc(O)cc2O Tox21_202376 -NCGC00259297-01 196709091 tox21-ror-cho-viability-p1 set2 4 3.78774032 1.3312038 2.41586144 2.59774814 0.51488334 0.34099058 1.41614647 1.49359222 2.00767831 -1.01923148 1.83734715 5.62986899 1.8795693 2.86712388 3.55038049 1.211E-9 2.707E-9 6.054E-9 1.3539999999E-8 3.027E-8 6.768E-8 1.5129999999E-7 3.3839999999E-7 7.567E-7 0.0000016919999999 0.0000037839999999 0.00000846 0.00001892 0.0000423 0.00009459 108-22-5 7916 144208946 FC Isopropenyl acetate C=C(C)OC(C)=O Tox21_201748 -NCGC00259515-01 196709488 tox21-ror-cho-viability-p1 set2 4 1.47314608 -0.39411313 -0.27025524 0.92627388 2.19193173 1.61858526 1.56543881 0.98148483 0.58303261 0.4885698 -0.70955406 -0.72534391 -0.26490694 2.24461985 1.33123717 1.195E-9 2.6729999999E-9 5.9769999999E-9 1.337E-8 2.989E-8 6.683E-8 1.494E-7 3.341E-7 7.4719999999E-7 0.000001671 0.000003736 0.0000083539999999 0.000018679999999 0.00004177 0.0000934 108-99-6 7970 144209164 Fns 3-Methylpyridine Cc1cccnc1 Tox21_201966 -NCGC00091210-02 196709508 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -15.0082374639 -1 -16.0082374639 2.7202212143 0.5957330717 0.1013070993 -4.00160922 0 -1.25580667 -5.79883143 -0.98167769 4.27257772 -0.04444232 -0.28064613 -2.60691254 -0.07288028 -1.20780476 -1.8802809 -3.01300665 -3.37065556 -11.67353122 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00256392-01 196707238 tox21-ror-cho-viability-p1 set1 4 0.0024336516 -15.076162532 1.28678086 -13.789381672 0.7 0.5002881665 0.1791544294 -1.01101595 -13.29603852 -5.77501126 -8.61136338 -12.79722895 -10.51007233 -12.0671975 -15.39046648 -14.82693952 -13.62274795 -18.15781806 -15.34674919 -14.55563671 -12.11056939 -8.67086783 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-62-2 638024 144213063 A A Piperine O=C(/C=C/C=C/c1ccc2OCOc2c1)N3CCCCC3 Tox21_302746 -NCGC00256851-01 196707647 tox21-ror-cho-viability-p1 set1 4 8.22493386 0.08396244 1.53547222 0.72217408 0.99599571 -0.19795992 5.69357582 0.39598246 4.2240794 3.24756712 0.25171882 6.73236569 9.23291937 0.00323263 12.21825826 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 304-17-6 67535 144212790 A A N-Isopropylphthalimide CC(C)N2C(=O)c1ccccc1C2=O Tox21_302473 -NCGC00256535-01 196707652 tox21-ror-cho-viability-p1 set1 -2.1 54.4826732819 -82.5065671872 2.7237751284 -79.7827920588 3.5117481694 0.9749693021 1.728E-7 -2.97584742 3.00228602 3.55822239 0.64574436 1.69106242 7.12844284 5.75589879 -2.49269851 0.76407144 2.9977388 6.99754191 5.72626493 2.03134406 -19.71773694 -68.39605459 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-65-6 8066 144213192 A A 2-Butyne-1,4-diol OCC#CCO Tox21_302875 -NCGC00256658-01 196707654 tox21-ror-cho-viability-p1 set1 4 -3.74959872 -1.46744689 -11.45193529 -3.18831709 -5.80400364 1.54534976 -4.06291516 0.6961788 -7.54119652 -2.79641924 -5.36626594 -1.48991388 -3.29930958 -0.81783852 -3.16852028 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2094-98-6 74978 144213924 A A 1,1'-Diazene-1,2-diyldicyclohexanecarbonitrile N#CC2(/N=N/C1(CCCCC1)C#N)CCCCC2 Tox21_303619 -NCGC00257119-01 196708061 tox21-ror-cho-viability-p1 set1 4 2.7306020303 7.0428345599 -0.0428345599 7 1.21 0.4628904004 0.2135610034 1.82538194 0.82760351 -3.07543985 0.80057647 -0.66215427 -4.6190288 4.04142354 6.48842253 -4.24437143 4.4977699 2.60479857 6.83182936 6.66032825 8.01147089 5.29753865 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-63-4 8064 144213357 A A 1,4-Butanediol OCCCCO Tox21_303040 -NCGC00256517-01 196708063 tox21-ror-cho-viability-p1 set1 4 0.0685896219 4.904769568 0.595230432 5.5 4.9549173134 0.4900373022 0.1893075299 4.70025297 1.71795964 -2.00397464 -1.30181677 -0.28912678 2.76682139 10.32209299 6.29869042 5.44156534 0.99252649 4.88872886 8.26388422 5.82230135 3.12776923 6.14962893 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 562-10-7 11224 144213178 A A Doxylamine succinate O=C(O)CCC(=O)O.CN(C)CCOC(C)(c1ccccn1)c2ccccc2 Tox21_302861 -NCGC00256945-01 196708066 tox21-ror-cho-viability-p1 set1 4 0.8634921799 11.0277138479 -7.5277138479 3.5 0.4 0.7057116091 0.036134264 -7.90487282 -5.65807418 -2.35702257 -7.20982548 -9.18976154 -4.21671237 -2.60915413 -1.4464068 -4.04107042 1.1337094 -2.68096272 1.18210789 0.1705272 1.23599482 2.58996555 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 625-55-8 12257 144213599 Fns Isopropyl formate CC(C)OC=O Tox21_303282 -NCGC00256791-01 196708079 tox21-ror-cho-viability-p1 set1 4 4.78374353 1.05900321 4.9892486 1.78088247 5.43029371 3.86555108 5.05749521 5.39479337 0.00446526 0.60698686 -0.14834428 5.46108573 4.05900628 4.41327806 4.1875416 1.762E-9 3.94E-9 8.8109999999E-9 1.9699999999E-8 4.4049999999E-8 9.851E-8 2.2029999999E-7 4.9249999999E-7 0.000001101 0.000002463 0.0000055069999999 0.00001231 0.00002753 0.00006157 0.00013769999999 2224-49-9 62441 144213013 Z A Triethanolamine Laurate OCCN(CCO)CCO.CCCCCCCCCCCC(=O)O Tox21_302696 -NCGC00259549-01 196706419 tox21-ror-cho-viability-p1 set1 4 0.62701267 3.36389762 -0.49710393 4.84421958 4.97748858 6.65989431 2.41387441 -0.32053564 -12.35267751 6.89862821 0.10716928 1.28059052 0.90941008 1.29250165 0.49867405 1.212E-9 2.71E-9 6.06E-9 1.3549999999E-8 3.03E-8 6.775E-8 1.515E-7 3.388E-7 7.575E-7 0.0000016939999999 0.000003787 0.000008469 0.00001894 0.00004235 0.000094689999999 83-41-0 6739 144209198 A F 1,2-Dimethyl-3-nitrobenzene Cc1c(C)cccc1[N+](=O)[O-] Tox21_202000 -NCGC00259931-01 196706003 tox21-ror-cho-viability-p1 set1 4 3.50013824 6.48927088 7.71731787 -0.66237327 2.63085161 0.90055691 1.99399767 1.34358335 6.73310358 6.1550271 1.47007527 0.74026083 1.45765154 -0.40279262 3.97620256 1.231E-9 2.752E-9 6.153E-9 1.3759999999E-8 3.076E-8 6.879E-8 1.538E-7 3.4389999999E-7 7.691E-7 0.0000017199999999 0.000003845 0.000008598 0.00001923 0.00004299 0.000096129999999 107-92-6 264 144209580 A A Butanoic acid CCCC(=O)O Tox21_202382 -NCGC00259766-01 196706019 tox21-ror-cho-viability-p1 set1 4 55.6482624936 16.187705796 -4.187705796 12 1.92824246 0.3857188609 0.2859764482 -2.01115823 -5.95440966 -9.7784688 -10.98975483 -0.36688381 -0.5017115 4.03244895 -1.09760267 -5.05419044 -9.09996444 -10.13865161 -0.7052583 -1.1461861 0.74210533 8.37314933 1.2009999999E-9 2.686E-9 6.005E-9 1.3429999999E-8 3.003E-8 6.714E-8 1.501E-7 3.3569999999E-7 7.506E-7 0.0000016779999999 0.000003753 0.0000083919999999 0.000018769999999 0.00004196 0.000093829999999 79-24-3 6587 144209415 AC Fns Nitroethane [O-][N+](=O)CC Tox21_202217 -NCGC00259571-01 196706020 tox21-ror-cho-viability-p1 set1 4 11.13436111 9.18577157 1.33411425 5.95570912 6.59480175 2.11049211 1.6506791 3.3088228 7.73741743 10.30227609 0.24420394 3.77248424 4.81931642 1.10968231 0.77623222 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.00009175 968-81-0 1989 144209220 A A Acetohexamide O=C(NC1CCCCC1)NS(=O)(=O)c2ccc(cc2)C(C)=O Tox21_202022 -NCGC00259551-01 196706433 tox21-ror-cho-viability-p1 set1 4 0.51691245 6.25567443 3.34741254 -0.91567524 1.87679876 3.30608416 3.98815899 -2.16237437 -19.79143613 -2.38419788 -2.38013394 1.54900066 2.2674307 -1.47796357 2.24525432 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004125 0.00009223 3319-31-1 18725 144209200 AC Ac Tris(2-ethylhexyl) trimellitate CCC(CCCC)COC(=O)c1cc(C(=O)OCC(CC)CCCC)c(cc1)C(=O)OCC(CC)CCCC Tox21_202002 -NCGC00163927-04 196730572 tox21-ror-cho-viability-p1 set3 4 1.82631142 2.27862979 1.5342047 2.06171046 -2.32547049 0.90712924 2.50743691 1.36562154 2.4223816 0.1638037 2.41320514 1.05394941 0.40370691 3.50559743 2.55912807 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00254929-01 196700011 tox21-ror-cho-viability-p1 set1 4 1.22146833 0.25708233 0.17691833 2.01367864 -8.07708459 -7.93351552 -1.31506413 0.70673906 -2.73130933 -0.00890589 -0.12574246 -1.5495067 -10.27671381 1.61426492 -8.06794696 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-45-7 7654 144211344 A A 2-Phenylethyl acetate CC(=O)OCCc1ccccc1 Tox21_301027 -NCGC00254025-01 196699596 tox21-ror-cho-viability-p1 set1 -2.1 44.4885194663 -96.8150438012 0.7756883409 -96.0393554603 1.55794881 0.983798206 1.4E-8 4.48602912 -0.81155241 -3.2082877 0.17176134 3.29936768 -1.74896792 1.48684095 -2.60412056 0.08245228 3.09334754 1.69982496 -4.29575188 -20.42345532 -38.8220152 -72.75708747 1.097E-9 2.4529999999E-9 5.486E-9 1.2269999999E-8 2.7429999999E-8 6.133E-8 1.371E-7 3.0669999999E-7 6.857E-7 0.0000015329999999 0.0000034289999999 0.000007667 0.00001714 0.000038329999999 0.000085709999999 145-73-3 3225 144210414 A A Endothal OC(=O)C2C(C1CCC2O1)C(=O)O Tox21_300094 -NCGC00253939-01 196699997 tox21-ror-cho-viability-p1 set1 4 0.01357699 -2.92838729 -1.75287355 -0.9782946 0.69094676 -0.04143501 -1.21026682 0.11760005 -0.49525284 0.06391165 0.2686221 2.63367786 -0.04439888 -6.69903021 -2.54343803 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-76-3 7456 144210329 A A Methylparaben Oc1ccc(cc1)C(=O)OC Tox21_300009 -NCGC00164127-03 196700010 tox21-ror-cho-viability-p1 set1 -2.1 61.130564862 -111.1959064764 -1.214068986 -112.4099754624 2.2481167061 0.9829581583 1.88E-8 -3.45436515 1.98161754 -0.10664253 0.57354681 -0.03998091 -0.06647985 0.87076363 -3.61771989 1.85922305 -0.09369498 -3.55239678 -6.73972057 -13.88064692 -31.46179572 -85.15907232 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00254792-01 196700017 tox21-ror-cho-viability-p1 set1 4 68.5896218971 16.14154362 -2.14154362 14 4.9549173134 0.6571895154 0.0605239985 -2.40153726 -0.71318296 -3.32854941 -4.47943488 -3.63737236 -3.76230491 0.17403555 -2.55930946 -5.95128635 0.3011141 0.95109151 0.89824893 1.57025198 -3.44489552 10.99598927 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131-70-4 8575 144211205 A A Monobutyl phthalate O=C(O)c1ccccc1C(=O)OCCCC Tox21_300888 -NCGC00186465-04 196723680 tox21-ror-cho-viability-p1 set3 -3 29.8492948118 -60.3881746577 -0.827875207 -61.2160498647 4.9549173134 0.9387638937 0.0000252255 1.7306897 -1.69138201 -0.77772437 1.0118091 2.0845386 1.17246896 1.73647208 -0.51719787 -1.26226469 -10.49142484 -4.32092012 -5.52165971 2.82607675 -6.65096215 -55.45267532 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1032350-13-2 24964624 170466896 A MK-2206 NC1(CCC1)c2ccc(cc2)c3nc5C=CN6C(=O)NN=C6c5cc3c4ccccc4 Tox21_113368_1 -NCGC00160397-04 196722864 tox21-ror-cho-viability-p1 set3 4 2.30819252 -0.182024 2.40289268 4.20728856 -21.99377576 2.59049643 0 -9.80833899 1.63451108 -1.05632422 0.4627768 2.19267208 -4.7905591 -0.06242063 0.95134366 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84504-69-8 5282435 170465947 A Irsogladine maleate Nc1nc(nc(N)n1)c2cc(Cl)ccc2Cl.O=C(O)/C=C\C(=O)O Tox21_111786_1 -NCGC00253692-01 196722865 tox21-ror-cho-viability-p1 set3 4 0.44687156 -2.99373608 1.50414789 -1.96798973 -0.3338076 1.19035559 1.63776667 3.56482035 -0.15930799 -7.86538714 1.58250095 -8.91049238 0.02294726 0.87508688 3.0501605 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83991-25-7 71270 170466496 A F Ambasilide Nc1ccc(cc1)C(=O)N2CC3CC(C2)CN(C3)Cc4ccccc4 Tox21_113814 -NCGC00016306-08 196723266 tox21-ror-cho-viability-p1 set3 4 2.9849294812 12.0840018919 -0.0840018919 12 1.21 0.7728559844 0.0134839239 1.27440457 1.13968287 -1.23639276 0.15254817 -0.28721435 -2.15333491 2.97169172 -1.28518464 -0.01420171 -0.67768758 9.59228725 3.99398537 8.15948367 14.22480889 10.07734311 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68-41-7 6234 170465249 Z D-Cycloserine N[C@@H]1CONC1=O Tox21_110361_1 -NCGC00016697-04 196723692 tox21-ror-cho-viability-p1 set3 4 6.6824247267 11.374370032 0.625629968 12 4.9549173134 0.7997571028 0.0080606149 1.36985121 1.16148495 -0.86726082 -1.2121607 2.89717103 0.72854244 1.78055271 -0.20790269 -3.64530836 6.13042185 0.46370732 -1.13040859 11.02593245 11.85420369 11.71178491 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13171-25-0 83201 170465797 A Trimetazidine dihydrochloride Cl.Cl.COc2ccc(CN1CCNCC1)c(OC)c2OC Tox21_110568_1 -NCGC00090750-04 196723697 tox21-ror-cho-viability-p1 set3 4 27.6395842712 -12.828680136 3.5 -9.328680136 4.9549173134 0.6519589914 0.0751852116 2.39062377 1.81260292 3.41461174 2.54130118 4.36367575 1.14395032 -1.38331897 2.80500189 3.34309125 6.39098697 8.77510963 3.33332361 3.62959777 -9.44056678 2.21217616 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00159397-03 196723703 tox21-ror-cho-viability-p1 set3 4 26.6032120037 10.508072888 -2.508072888 8 4.9549173134 0.6849265219 0.0461823822 -4.49208382 -2.6209513 -0.61062516 -2.49820591 -5.84006074 0 -4.27848221 -1.11264797 -2.00576726 -2.08574871 -1.13186196 -0.68726882 -4.78700541 -0.08527508 7.15534945 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 129-81-7 8522 170465556 A Iodoantipyrine O=C2C(I)=C(C)N(C)N2c1ccccc1 Tox21_111636_1 -NCGC00255822-01 196710331 tox21-ror-cho-viability-p1 set2 1.4 0.0017439399 23.3489534239 -23.8489534239 -0.5 4.5044702849 0.8971696613 0.0003737528 -20.29079452 -3.68601765 1.17886713 -1.71554418 0.69260785 -0.35073773 0.47706821 -4.88769711 0.80143201 -1.26544631 1.84202523 0.97535457 -0.41307099 -0.03467185 -2.93758742 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 5496-10-6 79635 144212511 A F 1-Aminocyclohexanecarbonitrile N#CC1(N)CCCCC1 Tox21_302194 -NCGC00254857-01 196714463 tox21-ror-cho-viability-p1 set2 4 0.0216899429 -7.4014431479 -1.5 -8.9014431479 4.9549173134 0.3665449567 0.3043617128 0.43160826 -3.82671431 -2.29689192 0.2937494 -9.10706286 -11.11249989 -10.72433974 -11.02271315 -0.80860957 -9.5432394 -6.94393118 -1.00011958 -9.33828977 -8.69053488 -19.91786929 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 62924-70-3 62210 144211272 A A Flumetralin Clc2cccc(F)c2CN(CC)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Tox21_300955 -NCGC00254691-01 196714465 tox21-ror-cho-viability-p1 set2 -1.1 15.3553036427 -90.3702062211 1.341694876 -89.0285113451 3.5117481694 0.9930516864 1E-10 -0.24134639 -1.41901877 0.52683789 4.30019698 -2.205808 1.09586891 2.09040947 -1.62468893 1.09648096 0.01741134 2.65025403 -1.01600626 -61.13651153 -86.04377028 -87.28285426 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 155569-91-8 22833503 144211104 B B Emamectin benzoate [O-]C(=O)c1ccccc1.CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1[NH2+]C)O[C@@H]2[C@@H](OC)C[C@@H](O[C@H]2C)O[C@@H]3C(C)=CC[C@@H]6C[C@H](OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OCC(=CC=C[C@@H]3C)[C@@]45O)C[C@@]7(O6)C=C[C@H](C)[C@H](O7)[C@@H](C)CC Tox21_300787 -NCGC00255515-01 196710743 tox21-ror-cho-viability-p1 set2 4 30.6378586933 -7.2361343999 0.5 -6.7361343999 2.2481167061 0.48428601 0.1957720343 -0.51586103 3.01369999 1.02040034 -0.29849762 -0.909034 4.4679629 -2.13695277 -3.21564476 0.08230764 2.89402359 3.27856197 -1.01310326 -0.97300803 -4.16322603 -6.030112 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87130-20-9 91742 144212232 A A Diethofencarb CCOc1cc(ccc1OCC)NC(=O)OC(C)C Tox21_301915 -NCGC00164449-04 196710740 tox21-ror-cho-viability-p1 set2 4 1.84612194 7.26044606 4.67844616 4.44678839 2.62976988 4.76157458 1.12758235 1.84256376 1.70799681 1.96438057 1.176308 0.32360535 1.82858919 1.33781131 -1.94575886 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00257538-01 196710742 tox21-ror-cho-viability-p1 set2 4 0.33521028 -0.73627591 1.47740723 -0.56528384 3.88476628 0.41977667 2.43622248 -1.81145576 -1.05120638 2.39934316 2.72970915 1.2717002 0.38091754 1.37081122 2.47665333 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 75-64-9 6385 144211606 FNS tert-Butylamine CC(C)(C)N Tox21_301289 -NCGC00255540-01 196710751 tox21-ror-cho-viability-p1 set2 4 -1.16663538 1.87137501 0.28231035 0.16158488 -1.03388627 1.23660554 1.56367263 -0.66242235 -0.48155493 1.56713033 0.09453274 2.35818579 2.25146197 1.28336829 3.71927172 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 321-64-2 1935 144212594 A A Tacrine Nc1c3ccccc3nc2CCCCc12 Tox21_302277 -NCGC00255506-01 196711156 tox21-ror-cho-viability-p1 set2 4 -9.69592231 -9.97784282 -2.93491432 -16.2136282 -13.07971286 -0.54780277 -2.96547296 -14.53983723 -12.23994081 -1.42093229 -11.1138148 -1.55155753 -10.70036571 -10.92709866 -19.03570856 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 502-55-6 10404 144212544 F Fc Bis(ethylxanthogen) CCOC(=S)SSC(=S)OCC Tox21_302227 -NCGC00255442-01 196711163 tox21-ror-cho-viability-p1 set2 4 1.91908861 -5.20877976 -0.57761942 -7.22411947 -7.47068794 -3.38834465 -6.55492257 -2.29349221 -4.12719356 -2.84768497 1.09766235 -6.63067131 -4.4207948 3.39185201 -6.14541875 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2687-94-7 3033871 144211867 A A N-Octyl-2-pyrrolidone O=C1CCCN1CCCCCCCC Tox21_301550 -NCGC00255443-01 196711170 tox21-ror-cho-viability-p1 set2 4 0.0323274038 -19.89224467 -9.12985768 -6.58220487 -8.62527453 -3.49150229 -6.87598256 2.5318173 -3.34207507 -2.57679994 -0.93828405 -2.03022503 -7.15623906 -3.19463962 -5.15395842 -2.42051044 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-95-2 7071 144212487 B Fns 3,3'-Diaminobenzidine Nc1ccc(cc1N)c2ccc(N)c(N)c2 Tox21_302170 -NCGC00260341-01 196711569 tox21-ror-cho-viability-p1 set2 -2.3 27.5561300424 -106.4709500268 4.102640715 -102.3683093118 0.9999999999 0.9709151948 0.6769334826 2.41296972 2.08211567 3.63440011 4.9510434 3.12481104 6.10434323 6.70249577 5.52208983 1.79737341 0.83917811 -12.39131434 -30.4501413 -30.69907185 48.11836876 -81.24468993 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.000092909999999 921-03-9 13530 144209993 F F 1,1,3-Trichloropropanone ClC(Cl)C(=O)CCl Tox21_202795 -NCGC00257461-01 196707670 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -24.548521012 0.5 -24.048521012 4.9549173134 0.6986642749 0.0387995272 2.0085535 -0.91088584 -0.09322008 1.22348833 0.78121662 0.82984806 -5.88933515 6.32375502 3.73081907 -7.57141772 0.17529072 2.00601438 0.58898731 -1.05791011 -19.62376751 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-95-8 6619 144213887 A A 2,2',6,6'-Tetrachlorobisphenol A Clc1cc(cc(Cl)c1O)C(C)(C)c2cc(Cl)c(O)c(Cl)c2 Tox21_303582 -NCGC00256681-01 196707259 tox21-ror-cho-viability-p1 set1 4 -13.77586631 -9.79628923 -3.53639968 -8.95558672 -16.44315879 -16.45051925 -10.60818683 -3.44169715 -16.35259333 -19.64725375 -13.58286147 -12.98214652 -14.65174698 -19.16695452 -15.9458939 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2695-37-6 3571582 144212783 Ac Ac Sodium 4-vinylbenzenesulfonate [Na+].O=S([O-])(=O)c1ccc(C=C)cc1 Tox21_302466 -NCGC00256605-01 196707260 tox21-ror-cho-viability-p1 set1 4 27.3060203028 7.6891154 0.8108846 8.5 2.7202212143 0.3816698787 0.2914658714 5.60609388 0.75753847 -0.38335435 0.4165359 0.8826717 0.2543439 5.08275173 0.40697236 -1.23921624 -0.83176543 -5.9909295 5.00149353 0.401384 8.64942019 6.83417145 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 127-69-5 5344 144213168 A A Sulfisoxazole Cc2c(NS(=O)(=O)c1ccc(N)cc1)onc2C Tox21_302851 -NCGC00257103-01 196707265 tox21-ror-cho-viability-p1 set1 -3 61.130564862 -58.8578483232 3.8837425184 -54.9741058048 4.0449729863 0.9604685429 0.0000022968 -1.54421459 2.47075328 4.20474198 5.26870035 5.24674222 6.89022099 5.44053378 6.37865115 1.68932605 5.52623725 1.9080798 -0.70043408 6.31118794 -6.96646448 -45.43492864 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 719-32-4 12868 144213415 F 2,3,5,6-Tetrachlorobenzene-1,4-dicarbonyl dichloride Clc1c(C(Cl)=O)c(Cl)c(Cl)c(C(Cl)=O)c1Cl Tox21_303098 -NCGC00256914-01 196707671 tox21-ror-cho-viability-p1 set1 4 48.5577336745 16.695368372 0.304631628 17 3.1319983358 0.6933851102 0.0413919661 -0.90409345 -0.25883286 -2.67941907 5.63667892 0.5044865 0.90462227 -1.0355165 4.23992331 -3.49614031 -1.32371711 4.4051571 -1.68728505 -1.10693728 6.6618021 14.94122416 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 513-86-0 179 144212835 A Acetoin CC(=O)C(C)O Tox21_302518 -NCGC00257316-01 196707684 tox21-ror-cho-viability-p1 set1 4 -10.40812148 -4.12445069 -9.09838821 -8.16626944 -7.73239768 -13.74116137 -11.2829921 -12.71149135 -11.38241813 -16.15358866 -8.46150721 -15.40798248 -13.81473324 -4.96700695 -7.35024859 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 542-76-7 10963 144213770 A 3-Chloropropionitrile ClCCC#N Tox21_303460 -NCGC00164449-04 196707691 tox21-ror-cho-viability-p1 set1 4 3.86351909 0.25066159 -0.17278364 2.59770412 1.30990839 2.32639538 0.61588148 2.61510671 1.09791113 0.07831488 3.06591858 2.95692547 4.40567701 2.62278139 -0.59875769 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00257284-01 196708085 tox21-ror-cho-viability-p1 set1 4 0.2002316 -10.59072093 -6.20195427 -9.40760286 -9.92941641 -13.75539178 -19.72884736 -11.48953634 -6.2093059 -4.56962293 -2.6293153 -10.1674658 -8.69566913 5.29783442 -13.09058088 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19525-59-8 23672325 144213845 A A Potassium anilinoacetate [K+].[O-]C(=O)CNc1ccccc1 Tox21_303539 -NCGC00256346-01 196708083 tox21-ror-cho-viability-p1 set1 4 -2.91888868 -1.44075392 -11.57578381 -10.38648451 -1.03655449 -8.5643964 -0.47650019 -2.44452309 -12.8785844 0.32811708 -8.14082931 -0.98278186 -13.10820058 -8.04107743 0.46235095 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-40-1 7807 144213227 A A 4-Bromoaniline Nc1ccc(Br)cc1 Tox21_302910 -NCGC00256996-01 196708105 tox21-ror-cho-viability-p1 set1 4 -16.08842773 -5.16949865 -13.62268477 -17.49630643 -17.03001099 -17.84627877 -15.99578876 -19.74625638 -21.98500154 -22.80253713 -21.7224709 -14.67221612 -12.26146831 -13.63217628 -9.11440191 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 1760-24-3 15659 144213545 F Fns N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine CO[Si](CCCNCCN)(OC)OC Tox21_303228 -NCGC00257515-01 196708107 tox21-ror-cho-viability-p1 set1 4 43.2771256911 7.7228571039 -4.2228571039 3.5 3.5117481694 0.355601199 0.3174804018 -2.02554272 -1.90740238 -0.56945172 -6.70840746 -8.10238092 -4.17054723 -1.27442798 -2.09007409 -6.69166609 -6.12833416 -6.44579054 -0.35442273 -7.33484453 0.26243784 2.70909047 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 50-21-5 612 144213921 Ac Ac Lactic acid O=C(O)C(C)O Tox21_303616 -NCGC00259651-01 196708499 tox21-ror-cho-viability-p1 set2 4 0.28483444 1.36203773 -0.46508485 -3.37735315 -1.39808634 -1.75224494 -1.95145534 0.93322924 0.24019128 -1.83713826 0.16814866 1.24810254 -2.1338007 -1.51569725 -0.14270494 1.2089999999E-9 2.703E-9 6.0429999999E-9 1.3509999999E-8 3.022E-8 6.757E-8 1.511E-7 3.3779999999E-7 7.5539999999E-7 0.000001689 0.000003777 0.000008446 0.00001889 0.000042229999999 0.00009443 98-00-0 7361 144209300 A B Furfuryl alcohol OCc1ccco1 Tox21_202102 -NCGC00259736-01 196706035 tox21-ror-cho-viability-p1 set1 4 -6.38137417 -5.26715281 -10.66482988 -10.83552336 -6.19141898 -5.60265416 0.27706706 -6.08402872 -8.7454524 -6.37911299 -15.95501635 -10.6576853 -5.33587194 -4.22272343 -1.66169623 1.18E-9 2.6389999999E-9 5.9009999999E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.299E-7 7.376E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.0000922 464-49-3 159055 144209385 A A D-Camphor CC2(C)[C@H]1CC(=O)[C@]2(C)CC1 Tox21_202187 -NCGC00260470-01 196724424 tox21-ror-cho-viability-p1 set3 2.4 78.4482066081 36.1073450719 -0.1073450719 36 4.9549173134 0.6929300382 0.0413032273 -1.34640735 2.32690722 5.25288613 8.05532739 0.68515159 -1.64906562 3.60537718 2.5539793 0.03850508 -0.23680057 0.15536198 -9.67278756 -8.91118876 -2.00067412 27.69866109 1.1989999999E-9 2.6809999999E-9 5.995E-9 1.3409999999E-8 2.998E-8 6.703E-8 1.4989999999E-7 3.351E-7 7.494E-7 0.000001676 0.000003747 0.000008378 0.00001873 0.00004189 0.00009367 533-75-5 10789 144210122 Ac Ac Tropolone OC1=CC=CC=CC1=O Tox21_202924 -NCGC00260398-01 196724829 tox21-ror-cho-viability-p1 set3 4 -4.66507546 3.75858325 2.57104655 6.92121656 -1.71106917 -1.95799595 -0.82516135 2.95052636 -2.95575376 4.71534894 4.69886755 -2.81617605 4.98988674 -5.23048512 9.54814854 1.208E-9 2.702E-9 6.041E-9 1.3509999999E-8 3.02E-8 6.754E-8 1.51E-7 3.3769999999E-7 7.551E-7 0.0000016879999999 0.000003775 0.000008442 0.00001888 0.00004221 0.00009439 592-42-7 11598 144210050 Fns 1,5-Hexadiene C=CCCC=C Tox21_202852 -NCGC00260585-01 196724831 tox21-ror-cho-viability-p1 set3 4 -3.53938867 1.76784779 -3.59439137 -0.88173461 -0.38732455 -3.36737394 -1.21802043 2.78456492 -2.66693656 2.1258359 2.39464869 5.32089777 -3.02668173 -4.43874069 7.89900684 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49481 144210238 M M NTP Mix44 CT1 3-EQP Tox21_203040 -NCGC00016557-06 196725247 tox21-ror-cho-viability-p1 set3 -2.4 18.8336317891 -30.23728692 -4 -34.23728692 0.7999999999 0.7259436119 0.0275549283 -8.81758393 -6.99575318 -12.0802723 -4.92916018 1.16660943 -5.56805261 -7.31083839 -1.10568152 -8.85216514 -6.57488658 -6.22358123 -7.49505311 -17.3589549 -19.53889234 -25.1977391 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 985-13-7 5702159 170466346 A Ethaverine hydrochloride Cl.CCOc1ccc(cc1OCC)Cc3nccc2cc(OCC)c(cc23)OCC Tox21_110492_1 -NCGC00159417-06 196725253 tox21-ror-cho-viability-p1 set3 -2.1 49.6956931991 -92.4634339121 -0.6736805699 -93.137114482 2.1210667061 0.9947323541 0 1.53957125 2.39050685 -0.6443198 -0.4149423 -0.44475534 -2.07100848 0.37757505 -3.24220259 0.58233426 -2.07333274 -0.63988008 -4.14207627 -9.64155494 -39.05202417 -74.34629885 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00164612-02 196725659 tox21-ror-cho-viability-p1 set3 4 -2.8138263 -4.22746077 -0.90432268 -1.58237894 10.23461852 0.59701009 -1.77553349 -4.76375484 -4.60163482 -6.3645566 -0.47045373 -2.21829904 -2.20646379 -0.50035185 0.02046427 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 479-92-5 3778 170465821 A Propyphenazone CC(C)C=2C(=O)N(c1ccccc1)N(C)C=2C Tox21_112233_1 -NCGC00182070-03 196725656 tox21-ror-cho-viability-p1 set3 4 3.61318617 3.03293447 8.68141653 1.12116964 12.60547007 11.31508168 -0.5258479 9.24268152 7.22214092 -1.04597941 4.88254277 4.71544318 5.25906085 7.94813003 12.0570015 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 107793-72-6 3743 170465160 A Ioxilan OCC(O)CNC(=O)c1c(I)c(N(CC(O)CO)C(C)=O)c(I)c(c1I)C(=O)NCCO Tox21_113127_1 -NCGC00165736-04 196725671 tox21-ror-cho-viability-p1 set3 4 2.62296256 4.15017035 1.98110008 1.25675933 -8.7187287 -0.6805559 -0.29549058 -8.4878714 1.7173047 -1.09979376 1.34268176 -0.66744937 2.79677824 -0.42734111 6.28823019 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2627-69-2 17513 170465608 A Acadesine NC(=O)c2ncn([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c2N Tox21_111551_1 -NCGC00163906-02 196725672 tox21-ror-cho-viability-p1 set3 4 0.99006332 0.63970099 1.54849942 -0.97437592 -1.45067801 -0.87769725 -4.9265103 -0.10588159 1.89254236 1.17390106 1.50212007 1.58318483 0.81775436 -4.13600092 -0.90432439 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00017245-10 196725680 tox21-ror-cho-viability-p1 set3 4 0.073048235 6.951154908 1.048845092 8 1.21 0.3558924653 0.3308474569 2.54469493 0.52995655 2.18322436 0.70703105 0.83377792 1.21093382 3.69479941 7.50383776 -2.04262909 16.37220302 7.46941886 5.2077338 12.86756284 3.37764607 1.5740077 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 476-66-4 5281855 170466649 A Ellagic acid Oc1c4OC(=O)c2cc(O)c(O)c3OC(=O)c(cc1O)c4c23 Tox21_110805_1 -NCGC00018181-12 196726079 tox21-ror-cho-viability-p1 set3 2.2 16.7854920005 56.6576743179 3.116863795 59.7745381129 1.21 0.9120939887 0.0001677627 0.30186906 1.24992431 2.5764009 -0.86954596 1.05957439 0.44939087 8.41511364 2.42224026 3.61432528 10.86473109 13.90454417 11.69365886 12.6764631 34.81251213 52.52726457 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 389-08-2 4421 170465215 A Nalidixic acid O=C(O)C2=CN(CC)c1nc(C)ccc1C2=O Tox21_110835_1 -NCGC00258120-01 196730331 tox21-ror-cho-viability-p1 set3 4 1.52718428 5.83267459 4.97738499 -2.13710756 0.25242794 4.96744345 2.22963601 -3.31505515 0.57707444 -0.97953528 -0.1492605 -2.91679929 -1.46792236 0.55672076 3.54625267 1.26E-9 2.817E-9 6.299E-9 1.4089999999E-8 3.15E-8 7.043E-8 1.575E-7 3.521E-7 7.874E-7 0.0000017609999999 0.000003937 0.0000088039999999 0.00001969 0.00004402 0.00009843 76-12-0 6427 144207764 1,2-Difluoro-1,1,2,2-tetrachloroethane ClC(Cl)(F)C(Cl)(Cl)F Tox21_200566 -NCGC00256274-01 196729090 tox21-ror-cho-viability-p1 set3 4 -6.33094345 0.06897733 -5.92979389 -2.2688867 5.12345487 4.22677952 -0.45852977 -1.07349311 -5.48531538 -0.30495885 3.86604724 11.48074453 -1.5174404 -1.17198521 1.20487153 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4985-85-7 21088 144211827 A A 2,2'-[(3-Aminopropyl)imino]diethanol OCCN(CCCN)CCO Tox21_301510 -NCGC00255397-01 196700458 tox21-ror-cho-viability-p1 set1 4 0.1535530364 4.689673576 -5.189673576 -0.5 4.9549173134 0.4312796276 0.2443638798 -5.96649476 -3.82526843 -9.32472798 0.40547632 -5.14015784 -7.58151806 -3.15104495 1.30523766 -0.56705826 -1.18818818 -5.92623674 1.01747195 -0.34393874 0.9766291 -0.58500932 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 324-93-6 9462 144212592 A A 4'-Fluoro-4-aminodiphenyl Nc1ccc(cc1)c2ccc(F)cc2 Tox21_302275 -NCGC00091902-08 196700046 tox21-ror-cho-viability-p1 set1 4 -0.7142809 2.08719906 -0.70333502 3.1624921 3.51684727 1.68623127 -0.8725459 2.90156867 -1.68487362 -1.15773107 2.32001589 -1.15469667 0.40872503 1.30650075 -1.78993214 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00016000-13 196700438 tox21-ror-cho-viability-p1 set1 -2.1 31.355862613 -102.4935742899 0.3426557379 -102.150918552 0.5 0.8594053465 0.0016669916 -4.38355099 1.44767716 -1.60140302 -2.17399619 0.60981792 0.56744593 -4.06470921 -4.8495789 -24.08108568 -29.50709047 -28.74949084 -31.04235984 -35.1804196 -38.37412935 -85.12576546 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00256014-01 196700441 tox21-ror-cho-viability-p1 set1 4 -2.15175727 -4.13737191 -4.48135073 -3.15763434 -1.03456829 -0.05930405 -4.5556063 -2.96137203 -0.55669282 0.22968155 0.33701381 0.20234569 0.61062192 -7.56179113 -5.35404125 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14228-73-0 61718 144212026 F B 2,2'-[Cyclohexane-1,4-diylbis(methanediyloxymethanediyl)]dioxirane C2CC(COCC1CO1)CCC2COCC3CO3 Tox21_301709 -NCGC00255731-01 196700859 tox21-ror-cho-viability-p1 set1 4 -0.74188982 -0.45143508 -4.86341646 -5.05471788 -2.48615491 0.4885968 -1.64105215 2.41077902 -1.78130505 -0.85912627 -1.76676494 0.40389002 -0.31764323 -5.28557503 4.28911615 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14663-23-1 32731 144212314 A A Dantrolene sodium [Na+].[O-][N+](=O)c1ccc(cc1)c3ccc(/C=N/N2CC(=O)[N-]C2=O)o3 Tox21_301997 -NCGC00255778-01 196700870 tox21-ror-cho-viability-p1 set1 4 0.4855773367 -11.3559785399 -4 -15.3559785399 0.7999999999 0.3734521964 0.2973082509 -10.97571784 5.09944019 -3.41879173 -9.70654964 -14.16070985 -1.26447294 -4.34911383 -4.28927474 -10.00213571 -19.46331545 -17.45954562 -10.63202929 -16.70713042 -9.80809063 -15.31247448 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 591-31-1 11569 144212453 A A 3-Methoxybenzaldehyde COc1cc(C=O)ccc1 Tox21_302136 -NCGC00255432-01 196701283 tox21-ror-cho-viability-p1 set1 4 0.55532365 0.68404713 -4.7088999 -3.31489827 -2.17809528 -2.20360708 -2.9246396 -3.93038221 -3.8472265 0.43709467 0.8160825 -4.38888106 -0.76026082 0.67278581 -6.89800909 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1320-07-6 57351929 144212179 Fns C.I. Acid Orange 24, monosodium salt [Na+].O=S([O-])(=O)c3ccc(/N=N/c2ccc(O)c(/N=N/c1ccc(C)cc1C)c2O)cc3 Tox21_301862 -NCGC00255144-01 196700873 tox21-ror-cho-viability-p1 set1 4 1.53480277 0.19793153 -0.91270559 -0.49448967 -0.21732124 2.37798488 1.80907442 0.15320685 -0.87181613 -0.49115189 -0.54747227 -1.37134973 0.13097613 1.919663 -0.76731255 1.144E-9 2.559E-9 5.7219999999E-9 1.2789999999E-8 2.861E-8 6.397E-8 1.4299999999E-7 3.199E-7 7.1519999999E-7 0.0000015989999999 0.0000035759999999 0.000007996 0.000017879999999 0.000039979999999 0.0000894 7779-27-3 24512 144211939 Ac Ac 1,3,5-Triethylhexahydro-s-triazine CCN1CN(CN(CC)C1)CC Tox21_301622 -NCGC00255370-01 196701273 tox21-ror-cho-viability-p1 set1 4 54.4826732819 -16.0194978 -1 -17.0194978 3.1319983358 0.5899380879 0.1048006412 1.04680079 0.56691277 2.93843719 -5.04244857 -1.60581498 -2.56053617 -1.51683913 4.77081975 -0.17289064 -0.41589096 -7.79494422 -3.08098381 -0.15901291 -5.63323632 -14.5995815 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 75706-12-6 3899 144212190 A A Leflunomide Cc2oncc2C(=O)Nc1ccc(cc1)C(F)(F)F Tox21_301873 -NCGC00256070-01 196701278 tox21-ror-cho-viability-p1 set1 4 -6.06424604 -7.44071933 -2.07187771 0.30987596 -4.13920531 -5.94502496 -6.25532775 -12.25050716 -5.92302028 -12.44368028 -6.75994086 -7.76172887 -3.70358286 -10.35757493 -10.88511243 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7560-83-0 24210 144211825 A Fns N-Cyclohexyl-N-methylcyclohexanamine CN(C1CCCCC1)C2CCCCC2 Tox21_301508 -NCGC00256123-01 196701294 tox21-ror-cho-viability-p1 set1 4 5.41246511 -3.70942304 3.55591746 2.55828356 -0.84272214 1.81496963 3.37122433 -0.18429373 3.36113923 6.07365976 3.6029346 2.11429363 2.98378353 2.77642114 3.33025171 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-44-2 60988 144212277 A A 2-Aminobenzene-1,4-disulfonic acid Nc1cc(ccc1S(O)(=O)=O)S(=O)(=O)O Tox21_301960 -NCGC00015060-14 196701691 tox21-ror-cho-viability-p1 set1 4 30.4510110097 14.37533592 -1.37533592 13 1.78848746 0.6963722838 0.040018852 -2.14395169 -1.5223799 -1.44103387 -2.76075463 4.91952743 -2.69378659 -4.4794466 -2.81586852 -0.60643871 0.76718747 -3.62347604 4.47947083 0.21614755 7.6256214 12.2565721 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00016892-04 196713256 tox21-ror-cho-viability-p1 set2 4 0.00619599 0.40155391 1.19671368 -1.21538338 0.62261267 0.98829125 -0.30011571 -0.10792888 0.92407653 0.95863121 1.55490401 1.31910125 0.3140706 3.12931151 -0.37730041 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60166-93-0 65492 170464646 A Iopamidol O=C(Nc1c(I)c(c(I)c(c1I)C(=O)NC(CO)CO)C(=O)NC(CO)CO)[C@H](C)O Tox21_110668_1 -NCGC00182991-01 196713242 tox21-ror-cho-viability-p1 set2 4 -1.92718476 -3.69048266 -4.69199297 -5.61448596 -2.92256103 -4.74430701 -5.81200645 -5.10530225 -2.4303907 -0.28589275 -0.0101658 1.94363186 1.21472447 0.82853474 0.85770295 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1492-02-0 3489 144206873 A A Glybuzole O=S(=O)(Nc1nnc(s1)C(C)(C)C)c2ccccc2 Tox21_113322 -NCGC00018186-07 196713248 tox21-ror-cho-viability-p1 set2 4 0.16785492 -4.062061732 3.5 -0.562061732 1.92824246 0.3387632027 0.3501524002 3.5244932 0.97952314 -0.20115599 3.70084918 10.86034034 1.4603906 2.73940231 1.81147014 -0.10794249 -0.06627906 0.29217735 0.48467062 -0.74364686 -1.30171811 3.80563494 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1508-76-5 207841 170464805 C Procyclidine hydrochloride Cl.OC(CCN1CCCC1)(c2ccccc2)C3CCCCC3 Tox21_110508_1 -NCGC00161393-04 196713255 tox21-ror-cho-viability-p1 set2 4 3.3491459627 13.709810404 0.290189596 14 4.4494702849 0.9397374759 0.0000233624 -0.41929564 1.84729764 1.94634385 -0.03822427 2.14189818 0.13038081 0.54803285 0.43228793 1.36219993 -3.09150867 1.05160627 9.74332722 14.80590823 14.94949386 11.74261931 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97612-24-3 6917728 170466591 A Eticlopride hydrochloride Cl.CCN2CCC[C@H]2CNC(=O)c1c(O)c(CC)cc(Cl)c1OC Tox21_111229_1 -NCGC00182704-02 196713647 tox21-ror-cho-viability-p1 set2 4 -0.98263322 -1.08480943 -2.38339948 -1.1228058 -0.05740817 -0.6513516 -1.45513842 -0.10669012 0.03864503 -0.36717147 2.82308012 1.13627276 -0.16675455 -0.72029295 -2.19435689 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 187164-19-8 3003141 144206804 A A Luliconazole N#C/C(=C1/SC[C@H](S1)c2ccc(Cl)cc2Cl)n3ccnc3 Tox21_112974_1 -NCGC00160654-06 196713655 tox21-ror-cho-viability-p1 set2 4 -1.03359484 -0.23484974 0.52432657 1.27779523 0.11418137 3.67098426 1.48513078 -1.09815781 2.59916788 0.40364318 0.85093849 2.12520873 1.44850649 -1.74351132 -0.45392907 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 120-47-8 8434 170465715 A Ethylparaben Oc1ccc(cc1)C(=O)OCC Tox21_111961_1 -NCGC00255954-01 196709929 tox21-ror-cho-viability-p1 set2 4 48.5577336745 8.1762110159 -0.6762110159 7.5 3.9294729863 0.4210773409 0.25462247 4.43909477 -2.75121817 -1.67050439 -0.5607476 -1.07242845 -0.43674591 -4.31350918 -0.53394773 -1.19178155 -2.61543289 4.00779083 -0.88601793 -4.11629614 2.28814088 6.83722594 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-55-0 7148 144212342 A B 1-Phenylpropan-1-one O=C(CC)c1ccccc1 Tox21_302025 -NCGC00260007-01 196709513 tox21-ror-cho-viability-p1 set2 4 -0.88233128 -3.37420981 -3.92521252 -6.66100191 2.16887134 1.02498036 -1.24219829 0.69551915 -1.84074301 -2.86895119 -0.84907116 0.03946548 -0.72559751 -2.68694185 -9.16473358 1.195E-9 2.671E-9 5.973E-9 1.336E-8 2.986E-8 6.678E-8 1.493E-7 3.3389999999E-7 7.466E-7 0.000001669 0.000003733 0.000008347 0.00001866 0.00004174 0.00009332 439-14-5 3016 144209656 A A Diazepam Clc1ccc2c(c1)C(=NCC(=O)N2C)c3ccccc3 Tox21_202458 -NCGC00259576-01 196709512 tox21-ror-cho-viability-p1 set2 -2.2 54.4272718766 -69.6817310601 2.6774684205 -67.0042626396 1.92824246 0.9778805399 8.5E-8 5.41270765 -0.05496841 5.68982656 5.06945188 1.24507883 4.0170419 2.5575839 2.64404211 0.84334629 1.20377214 1.24704102 0.00249844 -8.35648025 -19.98777228 -50.76080503 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.00001842 0.0000412 0.00009212 15721-02-5 27465 144209225 A A 2,2',5,5'-Tetrachlorobenzidine Clc1cc(N)c(Cl)cc1c2cc(Cl)c(N)cc2Cl Tox21_202027 -NCGC00160537-04 196709525 tox21-ror-cho-viability-p1 set2 4 12.1971512362 -6.92403588 -0.5 -7.42403588 2.7202212143 0.5672178637 0.1231482125 1.97956321 0.73239651 -0.20598172 -3.26375437 0.17222633 -3.12945925 0.44091052 -3.54618332 1.13339867 -2.66331586 0.82472718 1.54391609 -9.5200299 -5.77226654 -7.0533078 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00255568-01 196709942 tox21-ror-cho-viability-p1 set2 4 61.130564862 -11.435900564 3 -8.435900564 1.8079476909 0.6047239821 0.0955663108 3.43136818 6.63571244 5.4789745 0.49580477 3.0003675 3.22646913 2.49990219 0.71074515 2.02089152 5.14079674 0.06661637 2.93145786 1.11807323 -0.18261406 -5.36325047 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23110-15-8 6917655 144212727 F Fumagillin C[C@@]1(O[C@@H]1C\C=C(\C)C)[C@H]3[C@H](OC)[C@H](OC(=O)\C=C\C=C\C=C\C=C\C(=O)O)CC[C@@]23CO2 Tox21_302410 -NCGC00259363-01 196709749 tox21-ror-cho-viability-p1 set2 4 3.82417666 -0.03714324 1.83475437 -1.67402529 -1.43130108 -1.10942775 13.32940592 -0.6179371 0.25408265 -3.58118695 -0.74718446 0.76933852 3.75708494 0.19727802 3.94931844 1.171E-9 2.618E-9 5.854E-9 1.3089999999E-8 2.927E-8 6.545E-8 1.463E-7 3.2719999999E-7 7.317E-7 0.0000016359999999 0.0000036589999999 0.0000081809999999 0.00001829 0.0000409 0.000091469999999 54-11-5 89594 144209012 A A Nicotine CN2CCC[C@H]2c1cnccc1 Tox21_201814 -NCGC00259603-01 196709332 tox21-ror-cho-viability-p1 set2 4 0.0017843972 11.351676996 -8.851676996 2.5 4.0949729863 0.7270446734 0.0279217745 -6.95973083 0.78908349 0.2274716 2.64797201 2.55300593 0.4652646 1.33081431 3.79865788 1.56551232 -0.40479344 4.98973665 2.15331402 3.44588597 3.63467727 2.94801502 1.2149999999E-9 2.716E-9 6.073E-9 1.358E-8 3.036E-8 6.7899999999E-8 1.518E-7 3.395E-7 7.591E-7 0.000001697 0.0000037959999999 0.000008487 0.00001898 0.000042439999999 0.00009489 24295-03-2 520108 144209252 B Ac 2-Acetylthiazole CC(=O)c1nccs1 Tox21_202054 -NCGC00259336-01 196709342 tox21-ror-cho-viability-p1 set2 4 -1.2036315 1.196771 2.13374459 3.38062605 1.4353399 -0.07236331 5.72342975 5.34485358 3.42451593 -0.05194988 2.29391305 4.63755568 4.94706293 4.22005438 0.06045131 1.166E-9 2.608E-9 5.831E-9 1.304E-8 2.9159999999E-8 6.5199999999E-8 1.458E-7 3.26E-7 7.2889999999E-7 0.0000016299999999 0.000003645 0.00000815 0.00001822 0.00004075 0.00009112 105-67-9 7771 144208985 A A 2,4-Dimethylphenol Cc1ccc(O)c(C)c1 Tox21_201787 -NCGC00259524-01 196709343 tox21-ror-cho-viability-p1 set2 4 0.27004324 1.25445366 -0.58028692 1.68625693 0.58905199 -0.56658286 1.10406928 2.03553293 0.98605575 3.13142536 -0.35429689 0.34189766 -0.83208117 2.69407995 0.46742889 1.16E-9 2.5929999999E-9 5.799E-9 1.297E-8 2.8989999999E-8 6.4829999999E-8 1.45E-7 3.2419999999E-7 7.2489999999E-7 0.000001621 0.000003624 0.0000081039999999 0.00001812 0.00004052 0.00009061 107-41-5 7870 144209173 A A 2-Methyl-2,4-pentanediol CC(O)CC(C)(C)O Tox21_201975 -NCGC00163815-04 196709767 tox21-ror-cho-viability-p1 set2 -2.2 58.1036241395 -63.3240423184 -1.613967422 -64.9380097404 3.1319983358 0.9797620765 5.09E-8 -4.00422124 -0.5353336 -1.63527341 -1.86519687 -1.82663507 -3.25160527 -1.67442299 -3.68535873 -3.86578824 1.38028441 2.39875775 -3.72137831 -1.23219 -21.34166623 -53.74091647 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00259820-01 196709768 tox21-ror-cho-viability-p1 set2 4 2.30639765 1.97017502 3.29744494 1.98161418 1.4244449 2.29089049 -1.20116449 1.05449251 0.29388392 0.6693663 1.40792861 0.7618262 1.57396705 1.14944999 2.1252884 1.155E-9 2.582E-9 5.773E-9 1.291E-8 2.886E-8 6.454E-8 1.443E-7 3.227E-7 7.216E-7 0.000001614 0.000003608 0.000008068 0.000018039999999 0.00004034 0.0000902 6484-52-2 22985 144209469 A Ammonium nitrate [NH4+].[O-][N+]([O-])=O Tox21_202271 -NCGC00256167-01 196710168 tox21-ror-cho-viability-p1 set2 4 1.96747029 -0.62577957 1.99541713 1.55297213 0.05435521 -1.10911637 2.80592493 1.42991296 -1.03764787 1.50077016 1.72512817 -0.8421022 -0.93009898 -1.52455719 2.47622669 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 39711-79-0 62907 144212653 A A N-Ethyl-4-menthane-3-carboxamide CC(C)C1CCC(C)CC1C(=O)NCC Tox21_302336 -NCGC00256984-01 196707294 tox21-ror-cho-viability-p1 set1 4 0.273060203 -5.17700122 -8.4580941199 -13.6350953399 4.9549173134 0.5530428544 0.150280089 -6.82704535 -9.39745425 -8.51379726 -13.7527078 -6.6317451 -7.08906586 -6.75410222 -12.54842286 -17.61257945 -12.76905606 -12.11610203 -16.59052872 -11.33168135 -12.14645956 -10.63124195 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 830-13-7 13246 144213365 A A Cyclododecanone O=C1CCCCCCCCCCC1 Tox21_303048 -NCGC00259280-01 196706878 tox21-ror-cho-viability-p1 set1 4 29.7957242594 -10.950406972 2.5 -8.450406972 4.5044702849 0.6426477218 0.0820655246 4.0526437 5.75981503 2.43962755 2.81086378 0.13526801 2.4571356 1.00304674 1.82721154 6.22274298 0 1.07387694 0.82063777 1.13010707 -7.04200581 2.69101895 1.2689999999E-9 2.8379999999E-9 6.345E-9 1.4189999999E-8 3.1719999999E-8 7.094E-8 1.5859999999E-7 3.547E-7 7.931E-7 0.0000017729999999 0.000003966 0.000008867 0.000019829999999 0.00004434 0.000099139999999 23135-22-0 31657 144208929 A A Oxamyl O=C(C(=N\OC(=O)NC)\SC)N(C)C Tox21_201731 -NCGC00256338-01 196707277 tox21-ror-cho-viability-p1 set1 4 67.8230651971 16.063869524 0.436130476 16.5 4.9549173134 0.5749957702 0.1163034146 3.04626241 -0.55533434 -0.44038644 -3.33254841 4.52762153 3.73817887 -0.61674465 4.0657885 -1.85339751 -4.21989127 4.45208929 -1.9161905 -0.1017988 0.33105488 13.47068961 1.1689999999E-9 2.614E-9 5.845E-9 1.3069999999E-8 2.922E-8 6.5339999999E-8 1.461E-7 3.267E-7 7.306E-7 0.0000016339999999 0.000003653 0.0000081679999999 0.00001826 0.00004084 0.000091319999999 868-85-9 6327114 144213116 F A Dimethyl hydrogen phosphite O=P(OC)OC Tox21_302799 -NCGC00256482-01 196707281 tox21-ror-cho-viability-p1 set1 4 -1.36140192 2.62983989 -0.39762309 4.30568781 5.74960562 4.66549767 7.75288501 0.00359667 -3.84938731 4.38275271 10.56836714 0.17538171 0.59284547 0.44709178 -1.1160817 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-50-3 7814 144213260 A D 1,4-Benzenediamine Nc1ccc(N)cc1 Tox21_302943 -NCGC00256820-01 196707711 tox21-ror-cho-viability-p1 set1 4 5.0489521 3.67748272 2.42235645 -0.59779901 0.0235634 2.51327564 4.92921925 8.0933345 2.48402522 0.08333695 -0.68287564 7.50240724 9.78451118 6.57537163 6.96273996 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-17-4 8167 144212889 A F Decyl acetate CC(=O)OCCCCCCCCCC Tox21_302572 -NCGC00257467-01 196708115 tox21-ror-cho-viability-p1 set1 4 0.57008439 0.62836867 1.36929523 0.71572779 1.74983157 1.82684517 2.77666667 1.46791203 2.84257763 0.17564224 0.4796205 0.59792658 3.76545666 -0.33810852 0.51360773 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-86-6 8861 144213714 B B 2,6-Diaminopyridine Nc1cccc(N)n1 Tox21_303403 -NCGC00256954-01 196708122 tox21-ror-cho-viability-p1 set1 4 -2.17319229 -0.19695075 -3.19748465 -4.82111848 0.4042765 -6.07104052 1.04907681 -4.11269039 -7.27592102 3.69814867 -9.24347893 -0.56071639 0.31194678 -0.45910781 -0.34041425 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 3926-62-3 23665759 144213461 F Sodium chloroacetate [Na+].[O-]C(=O)CCl Tox21_303144 -NCGC00163903-03 196728162 tox21-ror-cho-viability-p1 set3 4 0.8159913739 -4.136546728 0 -4.136546728 4.9549173134 0.3308673429 0.3572914145 0 -4.13667522 0.12010474 -0.26978223 -5.22833893 3.04572216 3.87051488 1.01930788 -1.57844924 -5.57366723 -3.17162107 -6.36378894 -1.69182938 -2.78400984 4.12010826 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00256114-01 196728175 tox21-ror-cho-viability-p1 set3 4 0.93608879 2.36005997 -2.48107956 -4.90429397 -1.23095083 -0.25659503 0.48454163 -1.49331964 1.91886633 -1.5553008 0.10267461 -3.09527603 0.34275152 -1.52138579 3.7959115 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-00-5 7116 144211822 A Fc 6-Aminonaphthalene-2-sulfonic acid O=S(=O)(O)c1ccc2cc(N)ccc2c1 Tox21_301505 -NCGC00260465-01 196703767 tox21-ror-cho-viability-p1 set1 4 1.90614549 3.28621547 1.75455917 3.94724474 -10.28844382 1.51925978 1.14017547 -10.37584165 -1.50644746 0.53898111 0.79317599 1.79863016 -1.74586983 2.84643053 0.44362612 1.206E-9 2.6979999999E-9 6.032E-9 1.349E-8 3.016E-8 6.744E-8 1.5079999999E-7 3.372E-7 7.54E-7 0.0000016859999999 0.00000377 0.0000084299999999 0.00001885 0.000042149999999 0.00009425 486-25-9 10241 144210117 A A 9-Fluorenone O=C3c1ccccc1c2ccccc23 Tox21_202919 -NCGC00260149-01 196703362 tox21-ror-cho-viability-p1 set1 4 -1.23269347 2.14829637 4.32016225 -0.19976925 0.3554906 1.97934747 2.98119819 0.01396596 -0.9749563 4.55756486 2.81136736 -0.11116788 -31.37879908 6.7012972 2.36347477 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008241 0.000018429999999 0.00004121 0.00009214 136-23-2 5284483 144209799 A Zinc dibutyldithiocarbamate [Zn+2].[S-]C(=S)N(CCCC)CCCC.CCCCN(CCCC)C([S-])=S Tox21_202601 -NCGC00163919-02 196703363 tox21-ror-cho-viability-p1 set1 4 3.24067239 3.21482277 1.58581716 0.9696987 4.66559227 2.96775728 1.23947381 -0.30253343 1.16275969 0.18155187 1.41670091 -0.2804251 0.51129005 0.57566032 -1.2090033 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00260353-01 196703779 tox21-ror-cho-viability-p1 set1 -3 0.551482209 -44.292993962 1 -43.292993962 4.9549173134 0.9833403329 0.0000850111 3.58846216 0.08338543 2.69797661 -1.51101049 0.17939437 1.01822165 0.28576729 -1.0401392 -35.44923785 2.71991832 2.42324705 2.7712891 0.52536792 -0.36519207 -18.52596972 1.1919999999E-9 2.6659999999E-9 5.96E-9 1.333E-8 2.98E-8 6.664E-8 1.49E-7 3.332E-7 7.45E-7 0.0000016659999999 0.000003725 0.00000833 0.00001863 0.000041649999999 0.00009313 14933-08-5 84703 144210005 A A N-Dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate [O-]S(=O)(=O)CCC[N+](C)(C)CCCCCCCCCCCC Tox21_202807 -NCGC00260275-01 196703766 tox21-ror-cho-viability-p1 set1 4 -0.30554047 1.35467153 -0.72542319 -1.32145127 -5.57388151 -1.18410081 -4.13958119 -1.3529234 -6.07636079 -1.08649606 -0.82730062 -5.91136393 -6.8536932 -4.8265475 -1.89782686 1.288E-9 2.879E-9 6.4379999999E-9 1.4399999999E-8 3.219E-8 7.198E-8 1.61E-7 3.599E-7 8.0479999999E-7 0.0000017989999999 0.000004024 0.0000089969999999 0.00002012 0.00004499 0.00010059999999 100-65-2 7518 144209925 F F N-Phenylhydroxylamine ONc1ccccc1 Tox21_202727 -NCGC00356998-01 196703768 tox21-ror-cho-viability-p1 set1 4 0.39309764 0.00300342 -3.97090255 -2.14333128 0.62084352 0.96482564 -4.28577462 -3.67793388 0.81987058 -8.66650157 -3.74773001 -4.28169654 -5.74101546 -4.65883043 2.6393331 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 187022-11-3 6426848 251919733 I Acetochlor ESA O=S(=O)(O)CC(=O)N(COCC)c1c(C)cccc1CC Tox21_303784 -NCGC00181775-02 196704182 tox21-ror-cho-viability-p1 set1 -2.2 13.3331902297 -61.2841848724 1.3202510884 -59.963933784 0.8999999999 0.9753833372 1.571E-7 1.28419009 1.64704961 3.62503341 -0.66710884 1.36334464 0.52224833 0.15854444 -0.58725842 1.50103438 -5.7359598 -5.96320193 -16.69560802 -25.37865718 -30.18157988 -49.96994482 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 92-31-9 7083 170466390 F Toluidine blue [Cl-].CN(C)c1ccc2nc3cc(C)c(N)cc3[s+]c2c1 Tox21_113159_1 -NCGC00094616-07 196704191 tox21-ror-cho-viability-p1 set1 4 -0.45042068 -3.19405799 1.29947089 -3.23757521 -3.23005277 -3.20995299 1.38633438 -1.03135978 0.03908529 -0.22971236 0.02680921 1.25965709 0.49500781 0.0924802 -1.49549456 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77-36-1 2732 170464745 A Chlorthalidone NS(=O)(=O)c1cc(ccc1Cl)C3(O)NC(=O)c2ccccc23 Tox21_110369_1 -NCGC00091426-02 196704195 tox21-ror-cho-viability-p1 set1 4 -6.6722767 -7.08596092 -5.88431326 -3.4302364 -6.36540525 -4.89884174 -6.44163988 -8.15774926 -0.52359915 0.00566853 -0.02662527 -2.94889231 -0.09024406 0.30445232 -4.60203387 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00167468-02 196704601 tox21-ror-cho-viability-p1 set1 4 -4.42455195 1.04331332 0.47508278 0.16494102 -3.31108456 -0.95820649 -6.04367585 -4.00396072 -0.15230869 0.73227447 -0.46655602 2.09009746 0.00177835 3.02329989 1.32186849 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5003-48-5 21102 170466237 A Benorylate O=C(C)Oc2ccccc2C(=O)Oc1ccc(NC(C)=O)cc1 Tox21_112472_1 -NCGC00093889-12 196704602 tox21-ror-cho-viability-p1 set1 4 2.3749855 1.2455347 1.5412859 1.16154505 2.11537522 0.24109997 -0.5248152 -1.17729965 1.51008926 1.27598067 2.44035171 1.29795731 2.6373195 2.23734709 0.75081035 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-47-6 5983 170465757 A Physostigmine CNC(=O)Oc1cc2c(cc1)N(C)[C@H]3N(C)CC[C@@]23C Tox21_111228_1 -NCGC00247696-01 196704606 tox21-ror-cho-viability-p1 set1 4 -1.03435841 -4.13432614 -0.57506263 1.07822131 -4.56321869 16.76785217 2.16843369 3.17863059 0.0833134 -4.55545576 -5.33860969 -6.67040341 0.96266065 -6.09222006 0.06245447 1.307E-9 2.9229999999E-9 6.536E-9 1.461E-8 3.268E-8 7.3069999999E-8 1.634E-7 3.654E-7 8.1699999999E-7 0.0000018269999999 0.000004085 0.000009134 0.00002042 0.00004567 0.00010209999999 117332-93-1 46783063 144206399 A A N-Phenyl-N-[1-(2-thienyl)methyl-4-piperidyl]propanamide hydrochloride Cl.CCC(=O)N(c1ccccc1)C3CCN(Cc2cccs2)CC3 Tox21_112846 -NCGC00021152-06 196704608 tox21-ror-cho-viability-p1 set1 4 0.28501044 -3.11501242 0.71327366 -4.17679773 0.13796028 2.95260976 -3.33079664 -3.55345174 -5.46497129 0.18250371 -2.96368907 -2.50791813 0.21514838 -0.12678921 -0.06819745 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68-88-2 3658 170464958 A Hydroxyzine Clc1ccc(cc1)C(c2ccccc2)N3CCN(CC3)CCOCCO Tox21_113569_1 -NCGC00091657-02 196704614 tox21-ror-cho-viability-p1 set1 4 -4.56760129 -2.45712314 -4.7473098 -5.27631038 2.21711017 -0.20812228 -0.11357958 0.20243028 0.12510741 -0.01926685 -0.36201455 1.39402628 -0.43822063 0.62603154 0.84980947 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00255176-01 196710775 tox21-ror-cho-viability-p1 set2 4 -1.7161188 1.46116216 0.52226557 0.42973551 0.97594329 1.26764113 0.4395763 -1.40518495 0.78560248 1.17867013 2.94591678 2.1796843 -5.72404831 2.77868235 -0.33301585 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 341-69-5 9568 144212244 A A Orphenadrine hydrochloride Cl.CN(C)CCOC(c1ccccc1)c2ccccc2C Tox21_301927 -NCGC00255936-01 196710354 tox21-ror-cho-viability-p1 set2 4 76.9588215421 9.2518398879 -0.2518398879 9 1.21 0.3601096556 0.3150817814 -1.30466322 -5.62653324 1.45071761 -0.50442583 1.5840568 -1.81854521 1.99664921 2.32475501 -3.12504317 -0.67770427 -0.07195854 2.63271735 0.27522353 1.71028888 5.85317841 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1694-31-1 15538 144212374 F Bc tert-Butyl 3-oxobutanoate CC(C)(C)OC(=O)CC(C)=O Tox21_302057 -NCGC00090858-02 196710359 tox21-ror-cho-viability-p1 set2 4 61.130564862 -13.547665264 -1 -14.547665264 1.8851180601 0.7852951567 0.0109917357 -0.42133013 -2.57204493 -0.60018402 -1.70366787 -1.22280629 -1.4007765 -0.26141165 -0.89950065 0.06121078 -1.5581251 1.4294956 1.08262382 -4.84329543 -4.08761417 -10.45638772 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00091088-05 196710766 tox21-ror-cho-viability-p1 set2 4 -2.98574116 -3.70778974 -4.59433237 -0.76729999 1.062623 -0.00660792 -0.27592679 -2.75193224 -6.51018227 -3.09012724 -0.99174332 -6.95875277 -0.99411399 -1.38864864 -0.19551683 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00255425-01 196711178 tox21-ror-cho-viability-p1 set2 4 -2.1774661 -7.21120611 -2.77467916 -2.59306572 -5.97546947 -10.71202004 -7.23784219 -3.35090394 1.01880273 0.28983839 -13.69933223 -2.49688949 1.40167498 -6.68787656 -1.33100339 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68-96-2 6238 144211847 A A 17alpha-Hydroxyprogesterone CC(=O)[C@@]3(O)CC[C@H]2[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_301530 -NCGC00255940-01 196711179 tox21-ror-cho-viability-p1 set2 4 3.93303257 -0.57180006 -0.68078223 1.93720646 1.79131259 -0.01228946 -0.29571266 0.94629133 1.04840942 0.97253081 1.85140569 2.97874318 -0.07403055 -0.13594199 3.05632136 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-69-7 6943 144212379 A A 2-Isopropylphenol CC(C)c1ccccc1O Tox21_302062 -NCGC00255210-01 196711180 tox21-ror-cho-viability-p1 set2 -2.1 70.7613613111 -100.8268060584 1.0357378469 -99.7910682115 4.5044702849 0.9932320653 1E-10 1.1585986 4.78627101 2.85147179 2.12060679 2.65760018 1.93033423 -1.95315977 -0.20518677 1.32969782 2.6198089 -1.29600497 -0.46901958 -1.4549603 -12.29487319 -84.85635052 1.3329999999E-9 2.981E-9 6.665E-9 1.49E-8 3.3329999999E-8 7.452E-8 1.666E-7 3.726E-7 8.332E-7 0.000001863 0.000004166 0.000009315 0.00002083 0.00004658 0.0001041 63449-41-2 31202 144212150 F F Benzyl-C8-18-alkyldimethylammonium chlorides [Cl-].C[N+](C)(Cc1ccccc1)CCCCCCCCCCCCCCCC Tox21_301833 -NCGC00357251-01 196711199 tox21-ror-cho-viability-p1 set2 2.4 29.8492948118 31.375172908 2.624827092 34 1.21 0.89388122 0.000435239 4.98863806 2.31279886 2.74037047 2.86361411 0.055827 2.71730338 2.67839387 1.69156835 -0.31264409 4.33994082 4.9398597 7.251037 5.71413192 11.92263041 26.25671068 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71441-28-6 5289501 251919756 C Arotinoid acid O=C(O)c1ccc(cc1)\C=C(/C)c2ccc3c(c2)C(C)(C)CCC3(C)C Tox21_304044 -NCGC00260626-01 196711614 tox21-ror-cho-viability-p1 set2 -3 13.3331902297 -41.373607844 1.5 -39.873607844 0.5 0.7206457749 0.0294648233 -0.18865529 0.15123989 -1.03089527 0.54032043 0.44723063 1.22411966 1.78798898 -0.90397873 -9.97806463 -2.60358451 -14.63534455 -8.57685277 -26.8580599 -8.14436789 -31.56133987 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49522 144210279 M M NTP Mix102 ER1 10-EQC Tox21_203081 -NCGC00260187-01 196711616 tox21-ror-cho-viability-p1 set2 4 -2.43459502 -2.52246594 -6.98819498 -3.29686762 -0.73059294 -32.17059917 -4.78756895 -7.82621705 -3.17995771 -5.48533195 -19.55238041 -25.25675108 -23.03961339 -9.84303796 -1.9340126 1.195E-9 2.671E-9 5.973E-9 1.336E-8 2.986E-8 6.678E-8 1.493E-7 3.3389999999E-7 7.466E-7 0.000001669 0.000003733 0.000008347 0.00001866 0.00004174 0.00009332 342573-75-5 12095229 144209837 A Ac 1-Ethyl-3-methylimidazolium ethyl sulfate C[n+]1ccn(CC)c1.[O-]S(=O)(=O)OCC Tox21_202639 -NCGC00259780-01 196709546 tox21-ror-cho-viability-p1 set2 4 4.77375035 1.86412637 2.28375166 -9.33479078 4.08990763 3.10753821 -0.70373807 5.70364341 2.25167343 5.47433523 1.96427966 4.32651767 3.98364636 4.8319333 1.34114711 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.314E-8 2.9369999999E-8 6.568E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.000003672 0.00000821 0.000018359999999 0.000041049999999 0.00009179 103-23-1 7641 144209429 A A Di(2-ethylhexyl) adipate O=C(CCCCC(=O)OCC(CC)CCCC)OCC(CCCC)CC Tox21_202231 -NCGC00259172-01 196709139 tox21-ror-cho-viability-p1 set2 4 -0.07110183 -0.49243822 -3.88790996 -2.15898452 1.00891137 -0.86002939 -0.57480907 0.34596186 0.45403402 4.21142573 3.52588152 3.93798112 4.25244761 4.43588976 3.0750791 1.1999999999E-9 2.684E-9 6.001E-9 1.3419999999E-8 3E-8 6.7089999999E-8 1.5E-7 3.3539999999E-7 7.5009999999E-7 0.000001677 0.0000037499999999 0.0000083859999999 0.00001875 0.00004193 0.00009376 620-17-7 12101 144208821 A A 3-Ethylphenol CCc1cc(O)ccc1 Tox21_201623 -NCGC00259833-01 196709142 tox21-ror-cho-viability-p1 set2 4 3.06211585 2.70990421 -0.72493499 1.92411365 2.73293125 3.18022534 1.57684319 -0.97117456 -0.03488382 -0.37153082 0.19825615 0.39264233 1.0642681 3.33039598 1.76615288 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 87-51-4 802 144209482 A A Indole-3-acetic acid O=C(O)Cc2cnc1ccccc12 Tox21_202284 -NCGC00255180-01 196710621 tox21-ror-cho-viability-p1 set2 4 0.0544826733 15.6039914719 -13.1039914719 2.5 0.2 0.3702716598 0.3018375042 -7.66568139 -8.94109263 -9.36232225 -5.03451891 -0.21105369 -5.96173105 -2.2186142 -12.58665956 -1.06904688 -2.57188465 -2.12912502 1.43397763 -1.11696707 -4.86004955 1.9498003 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 64700-56-7 47455 144212230 A A Triclopyr-butotyl Clc1cc(Cl)c(Cl)nc1OCC(=O)OCCOCCCC Tox21_301913 -NCGC00256266-01 196710607 tox21-ror-cho-viability-p1 set2 1.1 7.6958821542 74.2790739087 1.3450082409 75.6240821496 2.7867712143 0.997399395 0 2.79530949 0.6738292 0.82406263 -0.06207405 2.16048851 -0.05738644 1.51693391 2.09409236 1.32819509 7.09150871 8.62636034 42.13566484 69.74376037 75.74295494 75.22513522 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17252-51-6 87019 144211949 A A 4,4'-Propane-1,3-diyldipyridine C(CCc1ccncc1)c2ccncc2 Tox21_301632 -NCGC00256039-01 196710629 tox21-ror-cho-viability-p1 set2 4 -1.96126354 -0.66843192 -0.25666207 -1.04294988 0.02360008 -0.65417822 0.81935532 -1.44155919 4.44755949 0.62944024 -0.14876401 1.03734659 4.77404923 4.79442231 -1.35903066 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 70321-85-6 23674215 144212217 A A Potassium 4-[(3-oxobutanoyl)amino]benzenesulfonate [K+].O=S([O-])(=O)c1ccc(NC(=O)CC(C)=O)cc1 Tox21_301900 -NCGC00255458-01 196711022 tox21-ror-cho-viability-p1 set2 4 -7.91121584 -1.25058301 1.14624193 1.99682584 -3.84658787 -2.24007875 -3.07914615 -3.70521379 -1.63909427 -0.53658964 0.74204133 0.16671871 1.69198075 0.55441548 -9.18163249 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 132-54-7 67236 144211967 A A Phenyl 1-hydroxy-2-naphthoate O=C(Oc1ccccc1)c3ccc2ccccc2c3O Tox21_301650 -NCGC00255544-01 196711030 tox21-ror-cho-viability-p1 set2 4 1.57381868 -0.76021031 0.00631857 0.30439238 0.35889033 3.08316693 2.85635939 3.11815172 2.89818078 -1.01622428 0.9701584 -0.53014777 1.92281845 0.31747877 1.88624971 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-50-0 7389 144211760 A A (4-Aminophenyl)arsonic acid O=[As](O)(O)c1ccc(N)cc1 Tox21_301443 -NCGC00259317-01 196709401 tox21-ror-cho-viability-p1 set2 4 0.0043894003 8.331289676 -6.331289676 2 4.9549173134 0.5286388668 0.1546823564 -5.39130744 -6.52607473 1.07350681 4.78673004 2.03090072 -0.32236286 -4.65903657 0.25995269 1.90166543 1.51728843 0.99908523 5.44139736 3.2112339 6.27632834 3.88948996 1.194E-9 2.67E-9 5.9709999999E-9 1.335E-8 2.985E-8 6.676E-8 1.493E-7 3.338E-7 7.464E-7 0.000001669 0.000003732 0.000008345 0.00001866 0.00004172 0.00009329 90-12-0 7002 144208966 A Ac 1-Methylnaphthalene Cc2cccc1ccccc12 Tox21_201768 -NCGC00259473-01 196708982 tox21-ror-cho-viability-p1 set2 4 0.0192525733 10.1898514119 -11.6076743599 -1.417822948 3.1319983358 0.9353429413 0.4059705189 -9.85480595 -11.47882584 -13.0063953 -45.59520252 -3.48275505 -0.78789533 -2.60640261 -2.70939091 -3.35495245 -1.25086857 -1.58902036 -0.76194743 -1.0214828 -0.34818579 -10.31468962 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.2869999999E-7 7.351E-7 0.0000016439999999 0.0000036749999999 0.000008218 0.000018379999999 0.00004109 0.00009188 67-20-9 4509 144209122 A A Nitrofurantoin O=[N+]([O-])c2ccc(/C=N/N1CC(=O)NC1=O)o2 Tox21_201924 -NCGC00259901-01 196709384 tox21-ror-cho-viability-p1 set2 4 -0.12224777 -3.29111533 1.27018838 -2.48281878 0.46484818 1.57820512 0.04203562 1.35842848 1.94890224 0.61216868 2.98669258 0.20541843 1.71992995 0.6739788 0.43009275 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.4699999999E-7 3.2859999999E-7 7.3479999999E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004108 0.00009185 27470-51-5 5362 144209550 A A Suxibuzone O=C(O)CCC(=O)OCC2(CCCC)C(=O)N(c1ccccc1)N(C2=O)c3ccccc3 Tox21_202352 -NCGC00259163-01 196709395 tox21-ror-cho-viability-p1 set2 4 -0.14893477 0.82106153 -0.0752219 -2.334042 -1.22849045 3.16832649 2.73157432 -1.32403303 2.06987148 2.86919672 2.30294166 0.95895849 3.60140423 -0.50323664 -6.31526337 1.166E-9 2.606E-9 5.8279999999E-9 1.303E-8 2.9139999999E-8 6.516E-8 1.457E-7 3.2579999999E-7 7.285E-7 0.000001629 0.0000036419999999 0.0000081449999999 0.00001821 0.000040719999999 0.00009106 151-21-3 3423265 144208812 A A Sodium dodecyl sulfate [Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC Tox21_201614 -NCGC00256244-01 196709799 tox21-ror-cho-viability-p1 set2 4 2.87674146 -0.97439772 1.01667092 -0.00427577 -0.33096564 2.5807051 2.14379337 1.4843659 1.17917711 1.45310198 0.60170963 -0.83743093 1.00865438 -0.6530167 2.05756411 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16215-21-7 85335 144211966 F A Butyl 3-mercaptopropionate CCCCOC(=O)CCS Tox21_301649 -NCGC00255426-01 196709803 tox21-ror-cho-viability-p1 set2 -2.1 43.2771256911 -78.0124602862 -3.0361077549 -81.0485680411 2.3331733767 0.9458583178 0.0000129684 -1.22896713 -7.76648733 -5.76176254 -7.35791151 -6.38581573 0.45372863 -5.72841951 -0.28961041 -2.2308797 1.38488964 -4.50335445 -5.19120275 0.159799 -44.01357969 -68.97618791 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 153559-49-0 82146 144212724 A A Bexarotene O=C(O)c1ccc(cc1)C(=C)c2cc3c(cc2C)C(C)(C)CCC3(C)C Tox21_302407 -NCGC00255303-01 196709810 tox21-ror-cho-viability-p1 set2 4 0.86219686 6.3354162 2.5107682 3.08392374 3.31427231 0.89445228 0.49368073 1.53899169 -0.10786326 2.92300272 -0.03598073 0.42189974 0.7514688 1.12507354 5.07808686 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 64-19-7 176 144211770 A A Acetic acid CC(=O)O Tox21_301453 -NCGC00255575-01 196709813 tox21-ror-cho-viability-p1 set2 4 4.69579473 -3.53689769 0.22642804 -2.03602877 -3.71515588 -3.55076459 1.2847441 2.11508965 2.69220193 2.66465737 0.00397869 0.49824237 0.59709619 0.00540473 0.26807753 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 366-18-7 1474 144211747 A Ac 2,2'-Dipyridyl c1nc(ccc1)c2ccccn2 Tox21_301430 -NCGC00018269-05 196722934 tox21-ror-cho-viability-p1 set3 -2.4 33.4914596268 -33.9498514119 5.5 -28.4498514119 4.9549173134 0.6974888789 0.039194732 8.12609048 7.24797276 5.03485248 7.2547963 0.34835324 -0.11198814 10.08862297 3.04300107 -7.42591742 9.16194289 9.19570855 9.4103384 6.16664878 7.59338464 -23.70820951 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 34140-59-5 5388977 170465734 A Trimebutine maleate COc1c(cc(cc1OC)C(=O)OCC(CC)(c2ccccc2)N(C)C)OC.O=C(O)/C=C\C(=O)O Tox21_111554_1 -NCGC00256407-01 196727434 tox21-ror-cho-viability-p1 set3 4 -0.38087726 3.44904157 3.65609133 -0.06275976 2.69362196 -1.12248266 3.04344182 -18.21509005 -18.7234805 0 -6.70195494 2.24002545 2.2442517 6.06492404 5.2533875 1.131E-9 2.53E-9 5.657E-9 1.2649999999E-8 2.828E-8 6.324E-8 1.4139999999E-7 3.162E-7 7.0709999999E-7 0.000001581 0.000003535 0.0000079059999999 0.00001768 0.00003953 0.00008839 22839-47-0 134601 144213282 D Aspartame O=C(O)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC Tox21_302965 -NCGC00263949-02 196722946 tox21-ror-cho-viability-p1 set3 4 10.46314033 -0.26826184 8.63342971 2.27359271 1.51079217 -3.90569686 4.74012023 5.07034769 -1.35109716 -5.95109327 8.76771216 1.06945236 -1.61503098 16.97800388 19.09920077 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59703-84-3 60196356 170465380 B Piperacillin sodium salt [Na+].O=C([O-])[C@H]3N4C(=O)[C@@H](NC(=O)[C@H](NC(=O)N1CCN(CC)C(=O)C1=O)c2ccccc2)[C@H]4SC3(C)C Tox21_113405_1 -NCGC00160376-02 196722933 tox21-ror-cho-viability-p1 set3 1.2 0.2371013766 29.553958896 -12.053958896 17.5 0.5 0.8799250988 0.0007917315 -7.99888188 -12.12829908 -10.59827931 -4.73104709 -11.64605759 0 0 0 -2.09036677 12.0444402 13.67882749 10.08876269 9.91923344 13.62750099 18.13382184 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2424-71-7 71518 170466064 A Metocinium iodide [I-].OC(C(=O)OCC[N+](C)(C)C)(c1ccccc1)c2ccccc2 Tox21_111772_1 -NCGC00167564-03 196722945 tox21-ror-cho-viability-p1 set3 4 -1.07203681 -2.61325548 -1.47573252 -2.87487371 -1.35315739 0.25826018 -1.99237534 0.06472697 -3.22054043 -5.55951756 -5.34184523 -4.15314705 -9.72367378 -8.12143687 7.27058774 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10381-75-6 11808 170465479 C 8-Bromotheophylline O=C2c1nc(Br)nc1N(C)C(=O)N2C Tox21_112559_1 -NCGC00013273-03 196722949 tox21-ror-cho-viability-p1 set3 4 0.5955717307 17.702725748 -4.702725748 13 4.4494702849 0.6590390668 0.0587383355 -10.85918145 -13.72249647 2.89776516 1.95299916 0.83781898 -16.83560479 0 0 -5.56453475 12.89671203 13.35317465 11.9655499 9.18201321 8.61810354 20.27767658 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 524-36-7 10664 170466828 Z Pyridoxamine dihydrochloride Cl.Cl.Oc1c(CN)c(cnc1C)CO Tox21_110020_1 -NCGC00091062-09 196723344 tox21-ror-cho-viability-p1 set3 4 7.4978038628 18.5378967199 -0.0378967199 18.5 2.2526478767 0.6502583751 0.0639060541 1.29342783 3.9562077 -0.52656062 1.63740101 0.06709564 1.02007027 2.34313147 2.53216423 -2.61206759 -11.2815806 2.48304826 0.39848923 16.64729174 8.14917641 23.08832059 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4350-09-8 439280 170466308 A 5-Hydroxytryptophan O=C(O)[C@@H](N)Cc2cnc1ccc(O)cc12 Tox21_111073_1 -NCGC00016328-08 196723347 tox21-ror-cho-viability-p1 set3 4 0.0105909295 6.88448964 -1.38448964 5.5 4.0949729863 0.3594533762 0.3116443916 3.15159404 0.92128035 -8.2370747 0.15167202 4.0539061 4.53173116 4.18342332 3.89909648 7.31401132 6.24609071 3.75920131 3.98096531 2.39440537 2.21801914 15.80428087 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83-07-8 2151 170466661 B Ampyrone O=C2C(N)=C(C)N(C)N2c1ccccc1 Tox21_113352_1 -NCGC00015730-11 196723355 tox21-ror-cho-viability-p1 set3 4 -2.76909969 3.49617106 3.71510958 5.08528498 2.73658503 -0.48251192 -2.57517576 3.38048937 5.12040778 7.09122776 4.44467336 2.04000666 -0.78980903 3.6798622 11.36216062 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 114-80-7 8246 170465765 F Neostigmine bromide [Br-].O=C(Oc1cccc(c1)[N+](C)(C)C)N(C)C Tox21_112037_1 -NCGC00016705-10 196723363 tox21-ror-cho-viability-p1 set3 4 0.0005274591 26.4919702 21.50310928 14.76067552 15.15291734 11.25199997 11.29269793 2.18662393 10.29131325 -4.18587868 -5.56038483 -6.87951387 -6.41042551 -3.08575979 -3.17523278 9.04778911 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13710-19-5 610479 170465638 A Tolfenamic acid Cc2c(Nc1ccccc1C(=O)O)cccc2Cl Tox21_110570_1 -NCGC00263461-01 196723367 tox21-ror-cho-viability-p1 set3 2.2 23.7101376556 71.8403583547 0.7695353999 72.6098937546 1.331 0.9503891519 0.0000080561 1.97805009 -2.25798229 -1.22778531 -0.71443237 -0.09034947 1.67317212 -1.31506458 -0.01739538 2.78598414 7.32831529 5.12375475 9.97230091 15.07610013 25.78592214 57.95087623 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16595-80-5 27944 170465293 A Levamisole hydrochloride Cl.N1=C3SCCN3C[C@@H]1c2ccccc2 Tox21_111282_1 -NCGC00091775-03 196723762 tox21-ror-cho-viability-p1 set3 4 0.0019331182 25.8281567479 -21.8281567479 4 1.59358881 0.4852753182 0.1915696137 -14.85679729 -4.3539683 1.21487951 -0.33336856 0.95602041 2.86490937 2.84120837 9.26215518 11.60427257 9.41073188 7.26340687 8.02519782 2.01971122 1.71714717 -10.6759378 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00260634-01 196723775 tox21-ror-cho-viability-p1 set3 4 -1.35193127 8.95605212 -5.3448952 0.78378108 -7.59100843 -5.92574101 0.24278506 0.82202636 1.0947207 -0.63045789 -0.92072377 1.3638263 -5.53150978 -2.67066113 0.64549195 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49530 144210287 M M NTP Mix110 ER1 10-EQC Tox21_203089 -NCGC00257429-01 196727232 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -23.18425996 1 -22.18425996 4.4494702849 0.9658264942 0.0000010307 0.43425918 1.3542065 3.02502807 1.50001728 0.05143662 1.99871081 0.24863394 0.83366103 0.41435118 1.80114479 -0.52724182 0.47158154 1.18099034 -1.36262406 -17.2368833 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 838-85-7 13282 144213712 A Z Diphenyl phosphate OP(=O)(Oc1ccccc1)Oc2ccccc2 Tox21_303401 -NCGC00256839-01 196726811 tox21-ror-cho-viability-p1 set3 4 2.83188513 0.12878959 2.1078583 0.73751265 2.55940886 -0.05153951 3.27937456 -2.05442971 -0.78302417 1.68064008 -1.61760349 -3.97621884 3.0378997 0.29295259 -2.05654454 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-29-5 31251 144212905 A Ac Ethyl nonanoate O=C(CCCCCCCC)OCC Tox21_302588 -NCGC00091830-04 196726813 tox21-ror-cho-viability-p1 set3 4 -0.52757721 -0.78594556 -2.21158481 3.8599052 4.33544661 0.27503799 2.87000828 -0.46179331 0.39809199 -10.55721929 -1.29519815 -0.77262243 -3.17314364 2.69254076 -2.76738761 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00256316-01 196726816 tox21-ror-cho-viability-p1 set3 4 -4.58511055 -7.2132667 -6.88397697 3.80168679 -15.44893634 0.69481952 0 -21.22121227 0 0 -1.91589992 -18.24307797 -2.61592817 -2.02795901 -2.99243849 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 71125-38-7 54677470 144213073 A A Meloxicam Cc3cnc(NC(=O)C2=C(O)c1ccccc1S(=O)(=O)N2C)s3 Tox21_302756 -NCGC00257304-01 196727233 tox21-ror-cho-viability-p1 set3 4 -1.32730768 -2.64594965 -3.9737883 -1.05516184 -26.43197263 0.96852657 -27.08216915 -0.24599211 0 0 -12.48889564 -2.27472355 -2.04578245 1.85665444 -2.34478376 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 121-66-4 8486 144213880 F Ac 2-Amino-5-nitrothiazole [O-][N+](=O)c1cnc(N)s1 Tox21_303575 -NCGC00257421-01 196727235 tox21-ror-cho-viability-p1 set3 4 -0.24097593 2.40529096 1.55261751 -1.38031972 1.89423693 2.86659578 -0.79713994 2.71783215 -0.07602352 0.72518327 3.01033537 2.09064024 2.16897348 5.00945864 -0.40730734 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6080-56-4 22456 144213813 A Lead(II) acetate trihydrate [O-]C(C)=O.[O-]C(C)=O.[Pb+2].O.O.O Tox21_303505 -NCGC00256756-01 196727649 tox21-ror-cho-viability-p1 set3 4 33.1154664036 -8.728239832 1.5 -7.228239832 4.0949729863 0.5402381212 0.1637493433 2.77660904 0.61015553 1.54562042 1.58243954 -0.27563663 1.64238227 0.16741757 1.52982498 2.16536371 0.54388592 6.92189034 1.36886169 0.53311827 -5.19019986 1.39121397 1.2589999999E-9 2.8149999999E-9 6.294E-9 1.4069999999E-8 3.1469999999E-8 7.036E-8 1.5729999999E-7 3.5179999999E-7 7.8669999999E-7 0.0000017589999999 0.0000039329999999 0.000008795 0.00001967 0.000043979999999 0.00009834 110617-70-4 20641892 144212772 Fns Tetronic 701 OCCOC(C)CN(CCN(CC(C)OCCO)CC(C)OCCO)CC(C)OCCO Tox21_302455 -NCGC00257347-01 196727652 tox21-ror-cho-viability-p1 set3 4 3.24638191 0.45598928 2.25409079 4.32288625 2.99147363 4.56014328 -0.41931014 2.78959282 -0.35842518 7.4357866 2.28229029 1.31890873 1.64833336 1.60313972 4.53218932 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-12-8 6054 144213695 A A 2-Phenylethanol OCCc1ccccc1 Tox21_303383 -NCGC00256255-01 196728056 tox21-ror-cho-viability-p1 set3 4 -1.27504445 3.41661572 -4.430892 -3.82849838 10.71561166 3.64848464 -0.56797026 2.11939158 -11.25943842 -7.78278458 -5.0565794 4.06755931 7.0691198 6.08737211 -3.11448787 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 931-36-2 70262 144211802 A A 2-Ethyl-4-methyl-1H-imidazole Cc1cnc(CC)n1 Tox21_301485 -NCGC00255935-01 196728069 tox21-ror-cho-viability-p1 set3 -2.1 61.130564862 -77.8863026433 -0.765222415 -78.6515250583 3.9899729863 0.9697067571 5.13E-7 0.06166608 -2.98322493 -2.68513453 -1.52585768 -1.63972483 -1.26946352 -6.65317235 6.62834153 3.91181086 -2.08683369 -1.45814781 -0.62871622 -0.31530532 -14.61091512 -66.02388262 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 28768-32-3 91593 144211703 B D 4,4'-Methylenebis(N,N-diglycidylaniline) C1OC1CN(CC2CO2)c6ccc(Cc3ccc(cc3)N(CC4CO4)CC5CO5)cc6 Tox21_301386 -NCGC00256191-01 196728072 tox21-ror-cho-viability-p1 set3 4 61.130564862 -20.024250924 3.5 -16.524250924 1.4641 0.5659990024 0.1231357906 0.07707645 12.52591992 1.95259817 1.87806879 6.14741997 0.13703187 5.30435822 1.81489752 4.74332183 3.51906845 0.27961433 0.43677088 1.10953696 -1.48105586 -10.43687577 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1205-64-7 14569 144211932 A A 3-Methyl-N-phenylaniline Cc2cc(Nc1ccccc1)ccc2 Tox21_301615 -NCGC00255519-01 196728475 tox21-ror-cho-viability-p1 set3 4 7.6958821542 -5.421166124 2 -3.421166124 1.3987170999 0.41615762 0.2597303515 -1.38078615 7.45641029 0.47980908 -0.06066981 0.77159496 -0.40256787 5.04232933 4.66567552 2.42594444 0.35982505 1.4340436 -1.76635745 -1.59673168 -1.89804324 -4.10097177 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57018-04-9 91664 144211664 A A Tolclofos-methyl Clc1cc(C)cc(Cl)c1OP(=S)(OC)OC Tox21_301347 -NCGC00091483-03 196726901 tox21-ror-cho-viability-p1 set3 -2.4 68.5896218971 -26.23064826 1 -25.23064826 4.9549173134 0.9029959714 0.0002787843 1.23016574 -4.05342019 0.00377379 2.39664412 1.27415239 0.51119297 2.19352009 1.87456057 0.36463309 0.75118273 3.95824331 -0.2135408 2.38802063 0.65749393 -20.60887355 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00025176-02 196712873 tox21-ror-cho-viability-p1 set2 4 -0.05310554 2.32255308 -1.42074073 -0.08966585 -0.02753457 1.47621975 1.2705766 0.09620643 0.50706165 0.1291766 -0.66540982 1.3336523 -0.70434193 1.92103108 2.62165027 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33125-97-2 36339 170465117 A Etomidate CC(c1ccccc1)n2cncc2C(=O)OCC Tox21_110628_1 -NCGC00253572-01 196712457 tox21-ror-cho-viability-p1 set2 4 2.14298036 2.90781831 1.09067082 0.48441422 3.75617012 5.1532212 1.64844419 2.38362541 3.17320475 -0.1673864 -1.40532979 -0.32330145 -1.06357591 2.31027597 0.79738152 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15687-14-6 27453 170465662 A A Embutramide COc1cc(ccc1)C(CC)(CC)CNC(=O)CCCO Tox21_113716 -NCGC00165907-03 196712872 tox21-ror-cho-viability-p1 set2 -2.4 33.4914596268 -35.176723184 2.5 -32.676723184 4.9549173134 0.9720048834 3.292E-7 1.20984196 3.38823456 4.10007402 1.68817339 3.7971907 2.12667797 0.367528 2.25315798 3.89562908 1.31953623 3.2502532 0.88689458 2.80112404 1.11963774 -28.89726932 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 78-41-1 6536 170466640 A Triparanol Clc3ccc(CC(O)(c1ccc(C)cc1)c2ccc(OCCN(CC)CC)cc2)cc3 Tox21_112268_1 -NCGC00183104-02 196712874 tox21-ror-cho-viability-p1 set2 4 -0.4797409 5.07865116 8.78584945 6.01620795 4.46676161 5.60791769 6.20290041 5.0826945 0.60076343 1.54517029 4.23728406 -0.03245545 -0.31620813 0.97182741 -1.05065988 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54533-86-7 4514 170466022 A Nizofenone Clc1ccccc1C(=O)c2cc(ccc2n3ccnc3CN(CC)CC)[N+]([O-])=O Tox21_112984_1 -NCGC00163507-03 196712883 tox21-ror-cho-viability-p1 set2 3 29.8492948118 40.3640367599 -3.3640367599 37 4.9549173134 0.9671239685 8.178E-7 -4.19211513 -4.61878532 -2.4758831 -3.56436325 -5.57097705 -6.1366973 -2.52029812 -3.86511562 -2.67815301 -2.26004617 0.04552711 -1.74303831 -0.97568758 0.44318028 32.83025677 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26095-59-0 72092 170466098 A Otilonium bromide [Br-].CC[N+](C)(CC)CCOC(=O)c1ccc(cc1)NC(=O)c2ccccc2OCCCCCCCC Tox21_112059_1 -NCGC00091602-02 196712888 tox21-ror-cho-viability-p1 set2 4 -0.04859349 -0.79557969 0.3936615 1.97331399 -0.46892005 3.8316685 2.57063621 -1.37663806 -0.79849377 2.52170512 2.3516394 2.1772553 2.50038719 0.65924727 -2.38638774 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00179641-03 196713288 tox21-ror-cho-viability-p1 set2 4 0.0094391758 -8.712793612 10.5 1.787206388 4.9549173134 0.6157450771 0.0997105273 10.41679731 9.79515215 10.04037296 10.68950173 0.19693631 0.22654418 1.80481092 -0.07131688 -0.17732801 0 0.99008583 0.98050144 2.12416191 11.83336965 9.78810104 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 532-59-2 10766 170466662 A Amylocaine hydrochloride Cl.CN(C)CC(C)(OC(=O)c1ccccc1)CC Tox21_110455_1 -NCGC00178741-03 196713300 tox21-ror-cho-viability-p1 set2 4 -4.31569809 -2.5936183 -4.29087531 -6.12717007 -3.57396092 -0.74795405 -1.61893725 0.3792824 -2.73680668 1.6737399 0.21928333 -0.80561088 -0.79736131 -0.81281112 -3.60511143 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 105816-04-4 5311309 170464822 A Nateglinide CC(C)[C@@H]1CC[C@H](CC1)C(=O)N[C@H](Cc2ccccc2)C(=O)O Tox21_111432_1 -NCGC00095164-04 196713711 tox21-ror-cho-viability-p1 set2 4 1.98853343 -0.48238127 -1.64363194 0.45684095 -0.00301772 1.16403509 0.75116924 1.90537886 1.85174572 1.8906306 -1.27473467 1.11120922 0.08712503 2.32050816 -0.32645424 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14222-60-7 666418 170465795 A Protionamide CCCc1cc(ccn1)C(N)=S Tox21_111463_1 -NCGC00016394-10 196713714 tox21-ror-cho-viability-p1 set2 4 -0.07220766 -0.13452427 -0.00450291 0.51975507 0.26560336 1.59214208 1.76349937 -1.55755457 0.29300186 -1.70197891 -1.98781334 0.35548648 -0.68908046 -2.12096718 -0.53259688 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 131-57-7 4632 170465010 A 2-Hydroxy-4-methoxybenzophenone O=C(c1ccc(cc1O)OC)c2ccccc2 Tox21_110418_1 -NCGC00260125-01 196711233 tox21-ror-cho-viability-p1 set2 4 -9.80900227 -0.16096648 0.44114089 -6.87175707 -1.28554383 -12.00285838 -6.79108492 -11.27397975 -10.58567847 0.88722076 -16.26140329 -7.4531334 0 -17.14440739 -1.59037483 6.7619999999E-10 1.512E-9 3.381E-9 7.56E-9 1.691E-8 3.78E-8 8.4529999999E-8 1.8899999999E-7 4.2259999999E-7 9.45E-7 0.000002113 0.000004725 0.00001057 0.00002363 0.000052829999999 6258-06-6 5076555 144209774 Ac Bromamine acid sodium salt [Na+].[O-]S(=O)(=O)c3cc(Br)c2c(C(=O)c1ccccc1C2=O)c3N Tox21_202576 -NCGC00255424-01 196710828 tox21-ror-cho-viability-p1 set2 4 61.130564862 11.885776884 -1.885776884 10 4.5044702849 0.5096256482 0.171454465 -9.90481407 -1.91919086 0.13161716 -2.50213516 0.70089578 -2.14152428 -0.32113403 0.43311882 0.31054042 -4.02866002 -0.7311853 -1.3547841 -1.20492779 -0.21524552 8.49602355 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 540-18-1 10890 144212330 F Fns Pentyl butyrate O=C(CCC)OCCCCC Tox21_302013 -NCGC00255719-01 196710832 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -19.60494148 0.5 -19.10494148 4.9549173134 0.8762037298 0.0009308148 -2.67586022 0.46200021 -1.8701448 0.21727557 -0.29257608 -0.13961925 0.21993478 0.3528718 -0.13920787 4.17867238 0.09764904 1.24260441 0.69704191 -0.19195309 -15.5041179 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 465-73-6 60196420 144211746 A A Isodrin ClC3=C(Cl)[C@]4(Cl)[C@@H]2[C@@H]1C[C@H](C=C1)[C@@H]2[C@@]3(Cl)C4(Cl)Cl Tox21_301429 -NCGC00259802-01 196711892 tox21-ror-cho-viability-p1 set2 4 -2.14095122 -8.04222258 -5.55120673 -6.10055116 -4.23341991 -7.27059056 -2.71618457 -10.88931388 -1.62816039 -1.89090942 -2.76406542 -0.32111554 5.36843537 -6.78670134 -19.81029781 1.214E-9 2.7139999999E-9 6.0679999999E-9 1.357E-8 3.034E-8 6.7839999999E-8 1.517E-7 3.3919999999E-7 7.5849999999E-7 0.000001696 0.0000037919999999 0.00000848 0.00001896 0.000042399999999 0.00009481 136-35-6 8689 144209451 F F Diazoaminobenzene N(=N/Nc1ccccc1)\c2ccccc2 Tox21_202253 -NCGC00255836-01 196711056 tox21-ror-cho-viability-p1 set2 4 -5.10630132 1.45108093 0.74140606 0.123323 0.39162309 0.86072268 -1.0481929 -0.48262224 0.72834603 -0.51645729 1.40840243 -0.75801006 1.27717054 -4.85510976 -6.58020782 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 53558-25-1 40813 144212569 A A Pyrinuron [O-][N+](=O)c1ccc(cc1)NC(=O)NCc2cccnc2 Tox21_302252 -NCGC00255601-01 196711057 tox21-ror-cho-viability-p1 set2 4 2.46589334 4.201376 -0.22380961 0.87140953 0.62987564 -0.0229956 -0.51344135 2.12428676 -1.28003641 0.01827315 1.1424467 2.99500292 2.86081401 0.77389302 1.89262853 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2433-14-9 75518 144212080 A A 4-Cyclohexylcyclohexanol OC1CCC(CC1)C2CCCCC2 Tox21_301763 -NCGC00091586-02 196711475 tox21-ror-cho-viability-p1 set2 4 -5.5495963 -4.93712118 -4.99541409 -5.5467902 -8.5131369 -2.91577288 0 -13.73879871 0 -7.72771768 -3.91540065 0 -6.67219258 -18.57966525 -3.51086393 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00260486-01 196712299 tox21-ror-cho-viability-p1 set2 2.4 56.9295435058 28.9505308361 1.0494691639 30 3.0654483358 0.9560536195 0.0000041654 -0.79210903 -0.31949448 0.65095698 -0.11761564 -0.02940694 1.49770334 2.4232589 2.00895898 2.06648938 3.68792395 1.95329561 3.16952332 0.70587984 9.9818773 24.93132484 1.224E-9 2.736E-9 6.118E-9 1.3679999999E-8 3.059E-8 6.841E-8 1.5299999999E-7 3.42E-7 7.648E-7 0.00000171 0.0000038239999999 0.000008551 0.00001912 0.000042749999999 0.000095599999999 670-54-2 12635 144210138 F Tetracyanoethylene N#C/C(C#N)=C(/C#N)C#N Tox21_202940 -NCGC00260546-01 196712319 tox21-ror-cho-viability-p1 set2 -1.1 0.2669523808 -85.192472072 0.4978384869 -84.6946335851 2.4063783767 0.9907629243 5E-10 1.21918777 0.53625001 2.43399144 0.64795641 0.45145626 1.10454903 -0.56703318 -0.62066847 -0.9382919 -10.10384997 -17.64790148 -70.39950657 -80.87724509 -82.58762369 -80.87419488 5.916E-11 1.3229999999E-10 2.9579999999E-10 6.6149999999E-10 1.479E-9 3.307E-9 7.3949999999E-9 1.6539999999E-8 3.698E-8 8.268E-8 1.849E-7 4.134E-7 9.244E-7 0.000002067 0.000004622 56-35-9 16682746 144210199 F A Bis(tributyltin)oxide CCCC[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)CCCC Tox21_203001 -NCGC00016767-05 196713150 tox21-ror-cho-viability-p1 set2 4 0.10594175 2.54332814 -2.21424478 -0.84361643 -0.7288169 1.24411195 0.02200618 -0.91328421 1.10543824 1.87181002 0.92040675 2.99126954 0.04452196 -1.29888908 2.01150622 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 22668-01-5 3276 170466603 A Etandazole O=C(Cn1ccnc1[N+]([O-])=O)NCCO Tox21_110599_1 -NCGC00094960-06 196713545 tox21-ror-cho-viability-p1 set2 4 -6.57290889 -3.27796888 1.01824808 -1.02422044 0.36031905 -1.11223323 -0.35578491 0.73315931 0.48231288 1.12516261 0.37708422 -0.89889288 0.18094793 -4.18617949 0.3121439 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 84-65-1 6780 170466833 F Anthraquinone O=C2c1ccccc1C(=O)c3ccccc23 Tox21_111369_1 -NCGC00159469-04 196713551 tox21-ror-cho-viability-p1 set2 4 -2.97324836 2.90684705 0.47079556 4.22299844 3.02835579 -2.45428543 0.23170467 0.11414499 -6.00701402 -1.60989092 1.62619609 0.39315138 1.17458333 1.7389107 5.71735637 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 93-30-1 4117 170465530 A Methoxyphenamine COc1ccccc1CC(C)NC Tox21_113045_1 -NCGC00254203-01 196713992 tox21-ror-cho-viability-p1 set2 4 7.6958821542 8.67581268 -1.17581268 7.5 0.6999999999 0.7252099501 0.0284098841 -0.61763384 -1.56520778 -3.4798439 0.23008388 0.42064561 -2.87184381 0.41808338 -0.22730703 -0.35556782 -0.63440107 5.70380641 1.19213522 5.33007694 4.21690894 7.04711296 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-30-3 6037 144210447 A A Folic acid O=C(O)[C@H](CCC(=O)O)NC(=O)c1ccc(cc1)NCc2cnc3NC(N)=NC(=O)c3n2 Tox21_300127 -NCGC00015675-08 196712758 tox21-ror-cho-viability-p1 set2 4 -5.60446953 -5.23920461 -5.17711677 -4.83815941 1.98056301 1.52963142 2.93621188 -3.19175003 -2.69548548 -7.03821129 -4.25773762 -5.87526131 -1.74197337 1.44324816 1.48887177 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00162385-04 196713163 tox21-ror-cho-viability-p1 set2 4 -1.29450282 1.68236798 2.37756943 2.99981838 -0.57213551 4.52811895 3.01442454 2.90790773 2.81880477 -1.08728816 0.22224124 -1.22597663 2.58751222 1.86370503 0.74717728 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 119615-63-3 115227 170465898 Z Olprinone Cl.N#CC3=CC(c1ccc2nccn2c1)=C(C)NC3=O Tox21_111287_1 -NCGC00016951-05 196713590 tox21-ror-cho-viability-p1 set2 4 5.95384183 5.22235862 4.28834374 6.88687232 0.72283651 0.75299488 1.26547494 1.15092038 -0.2123686 -1.35382103 -1.42567611 -0.67196815 -2.56975923 -0.75153534 -1.39306945 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84370-95-6 6420010 170465853 A Clebopride maleate O=C(O)/C=C\C(=O)O.Clc1cc(c(OC)cc1N)C(=O)NC3CCN(Cc2ccccc2)CC3 Tox21_110706_1 -NCGC00016497-09 196698455 tox21-ror-cho-viability-p1 set1 4 3.35874587 5.86310408 0.35789863 -0.33308384 -0.24001435 -2.14352749 -2.3322878 2.12979899 -0.77511292 0.55824021 3.6855165 -2.77249202 0.15801361 2.3046818 4.21445339 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 536-33-4 2761171 170465169 A Ethionamide CCc1cc(ccn1)C(N)=S Tox21_110458_1 -NCGC00016567-05 196698031 tox21-ror-cho-viability-p1 set1 4 -0.27457025 0.51707438 3.41170889 2.65355416 4.50630009 2.07130631 2.97770369 4.1194495 2.73820764 0.48990189 1.28328721 8.76832588 4.42628648 3.43342181 2.01674053 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1188-21-2 70912 170466209 A Acetyl-L-leucine O=C(C)N[C@@H](CC(C)C)C(=O)O Tox21_111362_1 -NCGC00018100-08 196698042 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -19.170245608 1 -18.170245608 4.9549173134 0.6990562967 0.0387782873 6.52631419 0.31575308 -0.28898065 0.33000677 5.28380403 -2.16663532 -0.24182781 -3.74843943 0.01276787 -0.52930922 2.44565113 0.48574201 -0.27002322 1.83982689 -15.14187134 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 105628-07-7 163751 170466011 A Fasudil hydrochloride Cl.O=S(=O)(c2cccc1cnccc12)N3CCCNCC3 Tox21_110824_1 -NCGC00091278-03 196698450 tox21-ror-cho-viability-p1 set1 -2.4 61.130564862 -26.3673605159 -0.5 -26.8673605159 3.5722481694 0.9046767647 0.0002552521 1.94490296 -1.43559169 -1.05064484 0.98244193 2.08765582 2.043665 -2.92152227 0.61398017 -2.57993485 -3.90455346 -1.29776129 -0.63530649 -0.1633954 -5.93214079 -21.97280043 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00253948-01 196698852 tox21-ror-cho-viability-p1 set1 -2.2 15.3853352478 -50.3363492761 -5.436543829 -55.7728931051 1.6266150999 0.9464072283 0.0000122832 -10.18134914 -5.6254289 -5.26427414 -4.61463062 -7.11319601 -5.70605554 -0.45298576 -6.60713466 -4.94508175 -0.2476246 -11.88500282 -11.29035666 -16.83180294 -32.66160214 -51.64156769 5.4859999999E-10 1.227E-9 2.743E-9 6.133E-9 1.371E-8 3.0669999999E-8 6.857E-8 1.5329999999E-7 3.429E-7 7.667E-7 0.0000017139999999 0.000003833 0.000008571 0.00001917 0.00004286 NOCAS_47325 18173271 144210534 A A SB413217A Cl.Fc1ccc(cc1)/C=C/C(=O)NC2CCC(CC2)CCN3CCc4ccc(cc4CC3)c5nc(C)on5 Tox21_300214 -NCGC00091586-02 196698864 tox21-ror-cho-viability-p1 set1 4 38.5707788719 -11.6136559719 -1 -12.6136559719 1.9673362061 0.4890934216 0.1892128746 0.58122081 -7.3076237 -2.69754059 0.77819271 -2.08698334 -1.98233784 3.15232523 -3.65051484 3.89927739 0.20353438 0.43192018 -5.82946847 0.64146421 -8.59951502 -11.34471331 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00091278-03 196722548 tox21-ror-cho-viability-p1 set3 4 -3.23808508 -3.17692611 -3.4446708 -2.32112154 1.73314616 -0.33989137 -2.92338865 -0.09894057 1.04643763 -6.20553157 -9.94546336 -1.92833584 -0.97176125 -0.14930136 3.79287634 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00258933-01 196722150 tox21-ror-cho-viability-p1 set3 4 30.3887708356 14.6802393839 -3.6802393839 11 1.2221 0.7020521117 0.0375156613 -4.52562568 -2.43221202 -0.32633204 -4.09206344 -3.26075611 -3.22221061 -5.38776054 -5.20405056 -5.98353282 -3.22945102 -3.31690172 3.62213974 -3.75419846 7.30450949 7.82580694 1.172E-9 2.621E-9 5.8609999999E-9 1.311E-8 2.931E-8 6.553E-8 1.465E-7 3.276E-7 7.326E-7 0.0000016379999999 0.0000036629999999 0.000008191 0.00001832 0.00004096 0.00009158 112-41-4 8183 144208580 FNS 1-Dodecene CCCCCCCCCCC=C Tox21_201382 -NCGC00016798-11 196722544 tox21-ror-cho-viability-p1 set3 4 0.0298492948 11.448157152 -13.948157152 -2.5 4.9549173134 0.3684582106 0.3017005341 -0.18910445 -1.23173654 -16.66445641 -23.41436563 -28.29013096 -4.71298862 -2.01451137 -6.58225458 0.38734149 -1.36555398 -0.24275042 -3.39162619 -6.02536783 -2.41225009 0.27264857 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26839-75-8 33624 170465062 A (S)-Timolol O[C@H](COc1nsnc1N2CCOCC2)CNC(C)(C)C Tox21_110614_1 -NCGC00024808-02 196722546 tox21-ror-cho-viability-p1 set3 4 37.5780357627 11.54070494 0.45929506 12 4.9549173134 0.4158915056 0.2585013789 1.7459353 2.46071503 2.57028507 3.37657546 0.94865971 -3.0705407 -5.45058745 0 3.61463906 0.86416741 3.98323811 -2.10535122 -3.89576087 -0.6153575 9.92386941 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69014-14-8 50287 170466487 A Tiotidine N/C(N)=N/c1nc(CSCCNC(=N\C#N)\NC)cs1 Tox21_112041_1 -NCGC00178069-05 196722549 tox21-ror-cho-viability-p1 set3 4 2.3710137656 -9.8967320119 -1.5 -11.3967320119 0.9999999999 0.5844448784 0.1241290435 -2.9494455 0.55235663 -3.71250319 -3.18074842 -2.80361551 1.17232727 2.70482741 -5.38724422 -1.55105226 -5.24400793 -6.47122111 -5.42273556 -12.83061001 -7.35958845 2.70436992 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14984-68-0 161104 170465832 A Cloperastine hydrochloride Cl.Clc1ccc(cc1)C(OCCN2CCCCC2)c3ccccc3 Tox21_110575_1 -NCGC00179623-04 196722956 tox21-ror-cho-viability-p1 set3 2.4 33.4914596268 28.550032056 1.449967944 30 1.0999999999 0.782178161 0.011362545 0.3955052 3.24709676 -0.73566547 2.46365723 5.38537623 1.39673178 -1.29169338 -0.42188909 3.13168267 -0.55116489 4.51851794 6.23681336 4.31073014 7.15099331 22.51065957 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83915-83-7 5362118 170464907 Ac Lisinopril dihydrate O.O.OC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)N[C@@H](CCc1ccccc1)C(=O)O Tox21_110798_1 -NCGC00257703-01 196729325 tox21-ror-cho-viability-p1 set3 4 0.4117386638 4.1979031319 -3.1979031319 1 4.0949729863 0.3238900489 0.34763395 0.10024309 -6.72348857 -6.60693489 0.9141028 -1.25464817 -7.24825261 -0.80199466 -1.80487256 -0.00973171 4.72346146 1.36832762 -0.65013986 -2.86380958 0.1894156 2.75198002 1.2459999999E-9 2.785E-9 6.2279999999E-9 1.393E-8 3.114E-8 6.963E-8 1.557E-7 3.481E-7 7.7849999999E-7 0.000001741 0.0000038919999999 0.000008704 0.00001946 0.00004352 0.00009731 107-86-8 61020 144207347 AC F 3-Methylbut-2-enal C/C(C)=C\C=O Tox21_200149 -NCGC00258314-01 196729309 tox21-ror-cho-viability-p1 set3 4 0.09659917 -0.11665024 2.24839482 0.3398948 -2.47776225 0.32110592 -3.00199979 0.01601881 0.12299391 0.36927033 0.41111301 0.11769913 -0.89608653 -0.94112561 -0.2485864 1.1859999999E-9 2.651E-9 5.929E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008286 0.00001853 0.000041429999999 0.00009264 98-46-4 7386 144207958 A A 1-Nitro-3-(trifluoromethyl)benzene O=[N+]([O-])c1cc(ccc1)C(F)(F)F Tox21_200760 -NCGC00257776-01 196729318 tox21-ror-cho-viability-p1 set3 4 -0.76185546 0.16573493 0.39779149 -0.01442505 2.67184816 -0.16631147 1.47776541 0.37620146 2.20043775 2.21703302 -1.20822454 -1.0594434 0.8312853 0.46723401 2.8648682 1.2149999999E-9 2.718E-9 6.077E-9 1.359E-8 3.0389999999E-8 6.794E-8 1.519E-7 3.397E-7 7.596E-7 0.000001699 0.000003798 0.000008493 0.000018989999999 0.00004246 0.00009495 91-17-8 7044 144207420 FNS Decalin C1CCC2CCCCC2C1 Tox21_200222 -NCGC00258775-01 196729320 tox21-ror-cho-viability-p1 set3 4 -2.08801967 -0.33866337 -2.9816825 3.79078516 7.17756761 0.05430526 5.9618572 0.42101525 0.48404432 -1.16430992 -0.2882608 1.2624846 2.34161257 2.76849008 6.08349799 1.166E-9 2.606E-9 5.8279999999E-9 1.303E-8 2.9139999999E-8 6.516E-8 1.457E-7 3.2579999999E-7 7.285E-7 0.000001629 0.0000036429999999 0.0000081449999999 0.00001821 0.00004073 0.00009106 108-90-7 7964 144208421 FC Chlorobenzene Clc1ccccc1 Tox21_201223 -NCGC00257689-01 196729726 tox21-ror-cho-viability-p1 set3 4 -0.75019062 -1.49183093 -2.4562883 -3.97556218 -3.53223923 -3.5923252 -5.15612026 -3.0572718 -6.29797505 -0.80844825 -0.17133173 -0.79976147 -3.5606221 -2.89691345 -0.29100081 1.173E-9 2.6229999999E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.3299999999E-7 0.0000016389999999 0.000003665 0.000008195 0.00001833 0.00004098 0.000091629999999 64697-40-1 2734223 144207333 A A 1-Methyl-3-octylimidazolium chloride [Cl-].C[n+]1ccn(CCCCCCCC)c1 Tox21_200135 -NCGC00257587-01 196729743 tox21-ror-cho-viability-p1 set3 4 8.7316056618 9.999413536 -4.999413536 5 4.9549173134 0.6127420742 0.0882534654 -6.25159672 -3.71655912 -3.35892842 -5.13982385 -6.07287029 -5.49190572 1.32075838 -2.37501975 -5.90621601 -9.99951128 -9.00121649 0 11.11159956 2.43759091 1.59177865 1.191E-9 2.664E-9 5.9569999999E-9 1.332E-8 2.978E-8 6.66E-8 1.489E-7 3.33E-7 7.446E-7 0.000001665 0.0000037229999999 0.0000083249999999 0.00001861 0.00004162 0.000093069999999 302-15-8 165286 144207231 F Methylhydrazine sulfate CNN.O=S(=O)(O)O Tox21_200033 -NCGC00258198-01 196730138 tox21-ror-cho-viability-p1 set3 -2.4 43.4972720155 -26.649054332 0 -26.649054332 3.0654483358 0.8283401487 0.0041353145 0.11993215 1.27139564 0.11774573 0.95911316 -3.02352846 1.3070738 0.7297723 -3.1168698 -1.42888904 -0.48074175 -1.02137882 -0.22391034 7.87082804 -15.98562531 -23.04087861 1.185E-9 2.6499999999E-9 5.9249999999E-9 1.325E-8 2.9629999999E-8 6.625E-8 1.481E-7 3.312E-7 7.406E-7 0.000001656 0.0000037029999999 0.000008281 0.00001852 0.0000414 0.00009258 79-04-9 6577 144207842 D Chloroacetyl chloride ClCC(Cl)=O Tox21_200644 -NCGC00255298-01 196728981 tox21-ror-cho-viability-p1 set3 -2.1 43.2771256911 -87.3844912158 2.9498967739 -84.4345944419 3.0654483358 0.9375370594 0.0000280214 1.89811615 -3.08770251 -4.31062193 -3.32502763 6.86734292 -7.22812052 3.77648218 3.80295245 4.01178926 8.1943038 9.03543041 6.63105679 8.17463511 -39.55425096 -76.46560185 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2491-38-5 4964 144212258 F D 2-Bromo-4-hydroxyacetophenone O=C(CBr)c1ccc(O)cc1 Tox21_301941 -NCGC00255504-01 196728566 tox21-ror-cho-viability-p1 set3 4 1.5355303643 -5.9922554999 -1.5 -7.4922554999 2.7202212143 0.4585343663 0.2174594098 -0.40589765 -1.8490726 -1.49179022 -3.45141336 -3.82702348 2.7851607 -2.17329877 -3.1963089 1.67751937 -6.59747817 -5.78530926 -10.95654405 -7.34783709 -0.25105722 -12.49354625 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7718-54-9 24385 144212492 Nickel(II) chloride Cl[Ni]Cl Tox21_302175 -NCGC00255853-01 196728571 tox21-ror-cho-viability-p1 set3 4 5.4482673282 -6.257022732 1.5 -4.757022732 4.9549173134 0.6084300462 0.0920869307 0.88804516 5.33252532 2.63892739 0.98989256 0.80697518 0.49793664 3.32291217 -2.18389172 -0.97414029 3.63832539 3.19267459 -6.46418561 -5.72487313 -1.28576536 -5.05523058 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 143-15-7 8919 144212363 F Ac 1-Bromododecane BrCCCCCCCCCCCC Tox21_302046 -NCGC00255354-01 196728977 tox21-ror-cho-viability-p1 set3 -1.1 17.2289340586 -96.8201079362 -1.5820204164 -98.4021283526 2.4063783767 0.975130612 1.664E-7 1.13892744 -4.64218021 -9.16773104 -7.65235643 6.92589155 7.84686868 -0.67508688 -0.05243912 -8.83674835 -7.83947505 -4.49907636 -11.04965147 -53.38841554 -87.5323637 -97.62115908 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122453-73-0 91778 144211896 A A Chlorfenapyr CCOCn1c(c(C#N)c(Br)c1C(F)(F)F)c2ccc(Cl)cc2 Tox21_301579 -NCGC00255419-01 196728989 tox21-ror-cho-viability-p1 set3 4 2.27855719 6.17577037 3.82469037 2.47291581 0.54545779 0.11881629 2.36584571 0.34363799 -1.32065282 -0.91229562 -1.43670304 -1.31047697 1.11821015 -2.13258388 3.01948523 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2156-56-1 517326 144211711 Ac Sodium dichloroacetate [Na+].ClC(Cl)C([O-])=O Tox21_301394 -NCGC00258697-01 196729384 tox21-ror-cho-viability-p1 set3 4 34.6561032477 11.5332892919 -2.5332892919 9 1.4787409999 0.6278095215 0.0787771775 0.20730327 -5.22974271 -4.44668505 -4.00403395 -3.50681125 -5.86107441 0.59314156 0.33960368 -5.3059018 1.20053338 -1.58805508 -1.56775899 0.74006018 3.14000606 7.86796099 1.188E-9 2.657E-9 5.941E-9 1.3279999999E-8 2.9699999999E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016609999999 0.000003713 0.000008303 0.00001856 0.000041509999999 0.00009282 4861-85-2 62553 144208343 A A Isopropyl phenylacetate CC(C)OC(=O)Cc1ccccc1 Tox21_201145 -NCGC00258345-01 196715791 tox21-ror-cho-viability-p1 set2 4 2.5197403 3.35455808 3.5027641 -0.50283848 0.9075229 -0.6061112 -0.36427413 1.28190909 3.35232371 2.2431065 0.04156399 3.82489294 0.29914331 3.11474434 -0.05974447 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 88-73-3 6945 144207989 A A 1-Chloro-2-nitrobenzene O=[N+]([O-])c1ccccc1Cl Tox21_200791 -NCGC00257627-01 196715790 tox21-ror-cho-viability-p1 set2 -1.2 27.0840205159 -46.8628058607 -2.24910924 -49.1119151007 4.9549173134 0.9413840864 0.0000199359 -1.48057795 -8.33367757 -3.24621103 -7.69192508 -2.77589931 -0.15013433 -2.68224861 -1.78595843 -0.07381947 -2.36474426 -0.83654466 -2.05578437 -3.09830609 -51.67907823 -42.76815499 1.172E-9 2.621E-9 5.8609999999E-9 1.311E-8 2.9299999999E-8 6.553E-8 1.465E-7 3.276E-7 7.326E-7 0.0000016379999999 0.0000036629999999 0.000008191 0.00001832 0.00004095 0.00009158 6358-07-2 3894848 144207271 A A 2-Amino-4-chloro-5-nitrophenol O=[N+]([O-])c1cc(O)c(N)cc1Cl Tox21_200073 -NCGC00257817-01 196715793 tox21-ror-cho-viability-p1 set2 -2.3 30.3576587038 -112.9808340339 -3.334884905 -116.3157189389 1.0999999999 0.9669509367 0.215289961 -2.29824012 1.0347864 -3.15733642 -0.2434017 0.81405693 -1.53289353 -2.54589589 -4.99271162 -12.45897017 -17.69511796 -14.49621027 -19.07869259 -55.73388255 -0.60035744 -92.31406265 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.9279999999E-8 6.5479999999E-8 1.464E-7 3.274E-7 7.3209999999E-7 0.000001637 0.00000366 0.000008185 0.0000183 0.000040929999999 0.00009151 14324-55-1 26633 144207461 A A Zinc diethyldithiocarbamate [Zn+2].S=C([S-])N(CC)CC.CCN(CC)C([S-])=S Tox21_200263 -NCGC00014702-15 196713742 tox21-ror-cho-viability-p1 set2 4 -0.56134123 0.68078612 -5.2392426 -1.16736396 1.33120365 0.9463254 -1.02634447 0.19889768 0.62746801 1.36774239 -0.61583693 1.74475936 1.12043398 1.16349474 3.77098959 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50892-23-4 5694 170466397 A Pirinixic acid Cc2cccc(Nc1cc(Cl)nc(SCC(=O)O)n1)c2C Tox21_110058_1 -NCGC00016229-14 196713321 tox21-ror-cho-viability-p1 set2 4 0.2984929481 -20.638941516 10 -10.638941516 0.2 0.7263546399 0.0349394035 7.32237256 4.47290243 6.23040534 3.07070714 1.97195322 -3.02106234 3.47133993 1.68168286 0.26305183 -1.96110293 -0.31814794 -5.32642977 -1.5093786 -7.19911793 1.22188306 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-52-5 657298 170464965 A Propylthiouracil S=C1NC(CCC)=CC(=O)N1 Tox21_110882_1 -NCGC00090986-03 196713728 tox21-ror-cho-viability-p1 set2 -2.4 48.854168593 -29.3178824319 0.5 -28.8178824319 3.5117481694 0.9516007539 0.0000070756 -0.16319449 -2.00304796 -0.88384161 3.51939822 -1.2418134 -0.37905121 -0.84222855 -1.13539855 -0.26150699 1.89442971 1.65351721 1.95334654 1.55542068 -10.12122107 -26.09823536 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00091088-05 196713741 tox21-ror-cho-viability-p1 set2 4 0.30084702 3.67411188 3.43441342 -0.23678506 1.66452355 -1.54372062 -1.2691589 -0.71375761 3.39750861 0.8380093 0.06874048 0.12592762 0.30108747 -1.41224279 0.35137102 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00254054-01 196714148 tox21-ror-cho-viability-p1 set2 4 21.6899429044 -12.441479696 0.5 -11.941479696 4.9549173134 0.799391498 0.0114334859 -0.27352177 -0.40456239 0.26709814 1.4001833 0.26889018 0.33573488 -2.87181022 0.03031277 2.20992228 -0.2530183 1.0884516 4.45838462 -3.84968932 -11.20123308 -5.66641428 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26628-22-8 33557 144210344 Sodium azide [Na+].[N-]=[N+]=[N-] Tox21_300024 -NCGC00254200-01 196714977 tox21-ror-cho-viability-p1 set2 4 0.42006682 -0.60622213 -0.43751046 0.53554805 -0.74952143 0.49740325 -0.48490159 0.41880056 -0.31794844 -2.63905587 3.71157227 2.61658855 4.38005192 5.16034739 3.36971878 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-12-0 6917 144210393 C D N-Vinyl-2-pyrrolidone O=C1CCCN1C=C Tox21_300073 -NCGC00163903-03 196714980 tox21-ror-cho-viability-p1 set2 4 -1.95212274 -0.83406233 -0.79685827 -0.30737424 0.60497645 -0.59410188 -1.46709072 3.7036071 -0.66000994 2.44315731 -0.36052089 -0.76186142 4.61417395 0.31546364 2.82880234 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00254155-01 196714981 tox21-ror-cho-viability-p1 set2 4 1.40562916 -0.44341171 1.11170781 0.99853758 -0.88872185 0.56178468 -1.58413813 -2.11754642 -2.74952594 0.58525586 -1.03584378 -1.00700406 -1.12055886 0.97750964 -5.46800025 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 72-55-9 3035 144210429 A A p,p'-DDE Clc1ccc(cc1)\C(=C(/Cl)Cl)c2ccc(Cl)cc2 Tox21_300109 -NCGC00254397-01 196714988 tox21-ror-cho-viability-p1 set2 4 1.90641685 -0.66122434 1.61576941 1.00637785 -0.98728521 6.55363215 3.26667855 -1.6223525 3.31909597 3.28279544 3.20066332 4.3472267 4.18891222 -0.35389252 3.76076644 8.553E-10 1.913E-9 4.276E-9 9.563E-9 2.138E-8 4.7809999999E-8 1.0689999999E-7 2.391E-7 5.3459999999E-7 0.000001195 0.000002673 0.000005977 0.000013359999999 0.00002988 0.000066819999999 1095-90-5 14184 144210950 A A Methadone hydrochloride Cl.CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2 Tox21_300633 -NCGC00091278-03 196714992 tox21-ror-cho-viability-p1 set2 4 -4.61969712 -1.6032864 -1.25469983 -3.57828761 -0.96608428 -1.29308765 -2.94489413 -6.68928923 -7.12324867 -4.34586917 1.12540155 0.34063812 -1.501166 -1.63315867 -0.0041934 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00091483-03 196715640 tox21-ror-cho-viability-p1 set2 4 48.5577336745 -21.0765883879 -0.5 -21.5765883879 2.3331733767 0.9375345131 0.0000284475 -1.42736605 0.47289898 1.1734221 -0.24170068 0.12386111 -0.03046727 -0.28241102 -0.35640897 -0.74113789 -0.9555855 -3.5217569 0.0135506 -0.37756751 -10.28043746 -17.14715699 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00254855-01 196715216 tox21-ror-cho-viability-p1 set2 4 5.4482673282 6.0841164 -6.0841164 0 4.9549173134 0.4799946822 0.2151758995 -9.56918191 -5.80699337 -0.61055655 -3.94434246 -7.14352803 -4.76259178 -6.45957739 -11.320097 -8.01386659 -3.81774455 -7.80203649 0.82891596 -1.45724876 0.66260191 -3.99517184 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58-89-9 727 144211270 A Lindane Cl[C@H]1[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H]1Cl Tox21_300953 -NCGC00254670-01 196715229 tox21-ror-cho-viability-p1 set2 4 0.81776229 0.00810517 5.85913393 0.07609771 0.72702558 -0.7949621 1.59820956 0.66180807 0.61384264 2.44694429 -0.22969262 1.78819326 1.93375257 5.46586423 0.20966108 1.1699999999E-9 2.617E-9 5.851E-9 1.3079999999E-8 2.926E-8 6.542E-8 1.463E-7 3.271E-7 7.314E-7 0.0000016359999999 0.000003657 0.000008178 0.00001829 0.000040889999999 0.00009143 207386-92-3 2723649 144211083 A A 8-Hydroxyquinoline-5-sulfonic acid hydrate (1:x) O.O=S(=O)(O)c1ccc(O)c2ncccc12 Tox21_300766 -NCGC00257825-01 196715635 tox21-ror-cho-viability-p1 set2 4 19.5476301686 29.5 6 35.5 0.3 0.5144921946 0.1655019189 13.54574815 14.9385865 2.11247331 2.25716958 12.64304624 14.40129299 12.86653271 16.34892451 3.54699452 17.01707301 15.4674363 13.26925029 21.59604377 25.31289089 27.20671468 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.976E-8 6.656E-8 1.4879999999E-7 3.3279999999E-7 7.441E-7 0.0000016639999999 0.000003721 0.000008319 0.0000186 0.0000416 0.00009301 103-70-8 7671 144207469 D Formanilide O=CNc1ccccc1 Tox21_200271 -NCGC00258784-01 196716069 tox21-ror-cho-viability-p1 set2 4 -0.78827836 0.36386182 -0.95758602 1.29625761 -1.49889143 -1.60680088 -2.05456209 -3.46171906 -2.78730963 -3.15778465 -2.35070925 -0.2448762 -2.19035307 -3.31229071 -3.25206942 1.193E-9 2.667E-9 5.963E-9 1.333E-8 2.981E-8 6.6659999999E-8 1.491E-7 3.3329999999E-7 7.4529999999E-7 0.0000016669999999 0.0000037269999999 0.000008333 0.00001863 0.00004167 0.00009317 27813-02-1 13539 144208430 D Hydroxypropyl methacrylate CC(=C)C(=O)OCC(C)O Tox21_201232 -NCGC00257819-01 196715657 tox21-ror-cho-viability-p1 set2 4 21.7120023439 9.5443566599 -2.5443566599 7 0.4 0.6744186675 0.0523550903 -0.67674814 -2.59246701 -2.66187073 -5.45363055 -0.83308407 -0.84081386 -0.56544673 0.29879924 -0.18587068 0.32654404 0.39462157 0.15487748 0.2441928 2.92776072 5.38884764 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.00000369 0.000008252 0.000018449999999 0.000041259999999 0.00009226 100-19-6 7487 144207463 A A 4-Nitroacetophenone O=[N+]([O-])c1ccc(cc1)C(C)=O Tox21_200265 -NCGC00258115-01 196715664 tox21-ror-cho-viability-p1 set2 -2.1 60.261267288 -91.2686036301 1.8029387189 -89.4656649112 3.2974983358 0.9737148199 2.286E-7 3.36454174 1.82816397 2.16412296 1.42795151 5.40571515 1.42426939 3.35298455 0.05589014 2.0125567 2.20270744 3.30730716 0.79709886 -9.84621288 -14.25061313 -71.56489766 1.166E-9 2.6069999999E-9 5.83E-9 1.304E-8 2.9149999999E-8 6.518E-8 1.457E-7 3.259E-7 7.287E-7 0.0000016299999999 0.0000036439999999 0.0000081479999999 0.00001822 0.00004074 0.00009109 134-09-8 8633 144207759 A A Menthyl anthranilate O=C(OC1CC(C)CCC1C(C)C)c2ccccc2N Tox21_200561 -NCGC00258405-01 196716066 tox21-ror-cho-viability-p1 set2 4 -1.76571743 -0.25434522 3.77744142 2.51832248 1.36144043 -3.7829878 -0.99159815 -0.19953663 0.98953751 0.12173665 1.4034864 -2.0355418 -0.04838755 2.44153868 2.11804913 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.953E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008253 0.000018449999999 0.00004127 0.00009227 3209-22-1 18555 144208049 A A 2,3-Dichloronitrobenzene Clc1c(cccc1Cl)[N+]([O-])=O Tox21_200851 -NCGC00258142-01 196716073 tox21-ror-cho-viability-p1 set2 4 1.01951474 0.78489373 0.89069395 -0.37739481 -0.22121577 -0.04173894 1.1685714 0.59143114 1.82919227 -0.43463649 0.96204308 0.06637667 -0.62311387 -4.11335532 0.99477207 1.187E-9 2.6549999999E-9 5.936E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.3189999999E-7 7.42E-7 0.000001659 0.0000037099999999 0.0000082959999999 0.00001855 0.000041479999999 0.00009276 174501-64-5 2734174 144207786 A A 1-Butyl-3-methylimidazolium hexafluorophosphate CCCCn1cc[n+](C)c1.F[P-](F)(F)(F)(F)F Tox21_200588 -NCGC00258649-01 196716081 tox21-ror-cho-viability-p1 set2 4 2.42173423 1.61447876 1.18934653 0.35740632 1.79327292 4.5069154 -0.78685943 -1.38878024 4.16363905 0.68890656 0.91601602 2.6503001 1.61409977 1.89266154 2.64322861 1.173E-9 2.622E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.3299999999E-7 0.0000016389999999 0.000003665 0.000008195 0.00001832 0.000040969999999 0.00009162 504-20-1 10438 144208295 A Ac Phorone C\C(C)=C/C(=O)/C=C(/C)C Tox21_201097 -NCGC00258103-01 196716491 tox21-ror-cho-viability-p1 set2 4 0.47421125 3.1458807 0.11048243 3.8201039 4.77002555 3.19855728 3.36890667 6.10867608 2.87714956 0.29843188 5.03637275 3.96357547 5.00167266 4.96557193 -0.54764958 1.1779999999E-9 2.633E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.00000368 0.00000823 0.000018399999999 0.00004115 0.00009201 41351-30-8 56638112 144207747 A A 2,4-Dimethoxy-4'-hydroxy benzophenone COc2cc(ccc2C(=O)c1cccc(O)c1)OC Tox21_200549 -NCGC00164597-02 196716902 tox21-ror-cho-viability-p1 set2 4 -0.96086686 -1.30051321 -0.46656754 -2.27932478 0.81114954 -0.13039204 -1.14939357 -2.59608975 -0.90352794 -0.96401491 -0.64015904 -0.52306582 1.0488264 -1.5965889 1.1311518 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98717-15-8 175804 170465120 A Ropivacaine hydrochloride Cl.CCCN2CCCC[C@H]2C(=O)Nc1c(C)cccc1C Tox21_112221_1 -NCGC00262926-01 196716906 tox21-ror-cho-viability-p1 set2 -2.4 33.4914596268 -30.5818355959 3.5 -27.0818355959 4.9549173134 0.8413231875 0.002915381 -1.9022887 3.25550094 3.32237359 2.51905765 8.61521387 7.16810439 7.69999078 5.9987603 1.72780721 2.46465968 3.42564872 -0.39918012 2.20797513 2.94509779 -22.56819633 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4274-38-8 2734678 170466706 F Fns 2-Amino-4-(trifluoromethyl)benzenethiol hydrochloride Cl.Nc1cc(ccc1S)C(F)(F)F Tox21_113922 -NCGC00260130-01 196723806 tox21-ror-cho-viability-p1 set3 4 0.8714013443 -6.869861328 4.5 -2.369861328 1.9673362061 0.5507867834 0.1357670825 -1.58896365 6.61485919 6.22928031 3.91748867 7.80003122 7.73834434 -1.10871183 5.26030962 2.25800986 -3.22488444 0.44004735 -2.83326171 -2.99626198 -2.04134951 -1.5805897 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.971E-8 6.6439999999E-8 1.486E-7 3.3219999999E-7 7.429E-7 0.0000016609999999 0.000003714 0.000008305 0.00001857 0.00004153 0.00009286 16872-11-0 28118 144209779 Borate(1-), tetrafluoro-, hydrogen [H+].F[B-](F)(F)F Tox21_202581 -NCGC00255954-01 196700944 tox21-ror-cho-viability-p1 set1 4 54.4826732819 8.482725956 -1.982725956 6.5 4.0949729863 0.4183246828 0.2579916158 -2.0475589 -1.53402871 2.12672073 -1.48962939 -5.40227163 -2.65433255 -4.84163227 -2.87782204 -3.25119643 2.02804934 1.64983764 -3.28461943 -2.0537423 0.13293239 5.42099917 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-55-0 7148 144212342 A B 1-Phenylpropan-1-one O=C(CC)c1ccccc1 Tox21_302025 -NCGC00091080-03 196700956 tox21-ror-cho-viability-p1 set1 4 7.2364694867 -14.9822513679 -2 -16.9822513679 1.21 0.599159437 0.0976332231 -6.76690515 -6.16048376 -5.95572611 0.64737958 0.9434833 2.24444687 -10.55395894 0.99049624 -1.30544324 -7.57403706 -1.31618153 -11.88035095 -14.12133893 -16.65187614 -14.18866466 1.121E-9 2.506E-9 5.6039999999E-9 1.2529999999E-8 2.802E-8 6.265E-8 1.401E-7 3.133E-7 7.005E-7 0.000001566 0.0000035019999999 0.000007831 0.00001751 0.00003916 0.00008756 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00015439-11 196697650 tox21-ror-cho-viability-p1 set1 4 -2.71717136 0.26981391 -0.72458461 -2.81510139 -6.19431339 -4.01010537 -1.13325004 -0.06791204 -0.98103711 -2.17853667 0.1388257 -2.69193583 -0.13687209 -1.10586389 -2.69101997 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 78755-81-4 3373 170464960 A Flumazenil O=C(OCC)c3ncn2c3CN(C)C(=O)c1cc(F)ccc12 Tox21_110148_1 -NCGC00357116-01 196723808 tox21-ror-cho-viability-p1 set3 4 0.0017228934 17.213417444 -17.213417444 0 2.0437424601 0.4888771169 0.1891559699 -12.67784787 -4.1716429 -3.61441211 0.60850352 1.10041121 1.70526759 1.40103246 1.1170561 0.72651588 -2.45201173 1.30368222 -9.75470702 -3.518765 1.9491343 5.21586461 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 144-74-1 12285822 251919870 A Sulfathiazole sodium [Na+].O=S(=O)([N-]c1nccs1)c2ccc(N)cc2 Tox21_303846 -NCGC00094525-09 196697641 tox21-ror-cho-viability-p1 set1 4 0.39149946 0.07466445 1.97411359 1.69222746 0.08341115 0.67265402 0.07195651 3.05809315 2.35513754 1.8963381 2.38619032 -2.12286601 1.27948046 1.68521198 -3.55446055 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 330-54-1 3120 170466802 A Diuron Clc1ccc(NC(=O)N(C)C)cc1Cl Tox21_111292_1 -NCGC00016889-06 196698057 tox21-ror-cho-viability-p1 set1 4 1.17241094 -1.83099986 0.35718199 0.33992734 -1.02335203 -0.04619959 -2.02783716 3.57651916 -0.46192572 5.74771358 -3.90586938 -1.35227349 0.62101895 0.01195453 -0.33515216 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59804-37-4 54677971 170465677 A Tenoxicam OC=2c1sccc1S(=O)(=O)N(C)C=2C(=O)Nc3ccccn3 Tox21_110666_1 -NCGC00016366-04 196698466 tox21-ror-cho-viability-p1 set1 4 0.13296234 2.03705199 1.62388268 -0.39291949 0.78426575 1.12690665 -0.53865513 2.13925838 -6.48990779 0.43448343 1.90965192 0.18041634 -1.68799858 1.30294779 1.41159786 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 115-46-8 15723 170466593 A Azacyclonol OC(c1ccccc1)(C2CCNCC2)c3ccccc3 Tox21_110399_1 -NCGC00186028-02 196698468 tox21-ror-cho-viability-p1 set1 4 -4.99462231 -4.23093279 0.54028827 0.22112535 -6.28509168 -3.81893338 -0.52289327 -5.03280027 0.71440697 -6.39384981 0.4731482 0.46855017 -0.13965707 0.74440589 0.99126138 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33996-58-6 59708 170464988 A Levetiracetam O=C1CCCN1C(CC)C(N)=O Tox21_112273_1 -NCGC00015234-19 196698475 tox21-ror-cho-viability-p1 set1 4 3.98286636 3.47611077 4.03359523 4.58905707 0.34886531 4.4376426 4.73215773 7.39093587 1.05872959 1.45323835 -1.19499582 5.22326368 5.12908414 4.88685124 -0.15370857 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 298-46-4 2554 170464712 A Carbamazepine NC(=O)N2c3ccccc3C=Cc1ccccc12 Tox21_110104_1 -NCGC00015269-06 196698486 tox21-ror-cho-viability-p1 set1 4 -1.95158006 1.09573419 -3.41539233 -2.45561841 -2.01052235 -2.54938927 -0.97127808 -0.2345532 -2.20591281 -4.65215368 -0.06498703 -3.69604957 -1.74002941 -6.63801743 -2.82442114 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68550-75-4 2753 170466220 A Cilostamide CN(C1CCCCC1)C(=O)CCCOc2ccc3NC(=O)C=Cc3c2 Tox21_110119_1 -NCGC00254679-01 196698883 tox21-ror-cho-viability-p1 set1 4 1.631511 -0.31268336 2.72497504 1.30641953 -0.05709624 1.84901909 -0.49568612 2.59487717 1.50682416 0.76702092 -2.37467243 1.89822408 0.68157398 0.49165012 0.01226582 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-86-8 6951 144211092 A A 2,5-Dichloro-3-nitrobenzoic acid O=[N+]([O-])c1cc(Cl)cc(C(=O)O)c1Cl Tox21_300775 -NCGC00254625-01 196698885 tox21-ror-cho-viability-p1 set1 -2.4 61.130564862 -29.43312708 0.5 -28.93312708 0.5 0.7996878535 0.0080484744 -1.92928457 1.53931965 0.33257388 1.76725226 -1.00743699 1.52711264 -1.8318369 -1.10307772 -4.16023374 -5.99773842 -4.93066492 -8.04894015 -8.45820519 -6.31877038 -20.7776059 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7681-65-4 24350 144211036 Copper(I) iodide [Cu]I Tox21_300719 -NCGC00258083-01 196730224 tox21-ror-cho-viability-p1 set3 4 -1.46953579 -2.33851052 -2.76837886 -3.54339557 -5.88662036 -5.36711531 -2.43094714 -4.45294467 -5.2145653 -0.13220605 -3.0480481 -0.83145148 1.52867968 -1.18117554 0.29942355 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.000041259999999 0.000092249999999 18069-17-5 12046 144207727 A A 2-Methylpentanedioic acid CC(CCC(O)=O)C(=O)O Tox21_200529 -NCGC00090987-03 196730238 tox21-ror-cho-viability-p1 set3 4 0.5448267328 -7.2581034799 -1 -8.2581034799 4.9549173134 0.3310471075 0.3381810371 0.22267771 -0.79607016 -1.95696761 0.9748856 -5.72193615 -1.9897683 -0.58381637 0.4134279 -8.54771312 -10.15231086 0 -21.8817529 -5.8677302 -1.01413327 -9.20986015 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00163724-03 196730310 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -22.814340084 -1 -23.814340084 3.9899729863 0.4196513519 0.2529632324 -0.49092437 -0.18267757 -2.5321891 0.79324291 0.69890061 0.68298699 -0.03598175 1.03837476 4.90486456 -0.260202 0.21798688 -19.01195007 3.32427156 -4.26654252 -18.33610179 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00168348-03 196717481 tox21-ror-cho-viability-p1 set2 4 -1.08807262 -2.3432755 -0.76812842 -0.38824513 1.04292326 -5.15502853 0.40531918 -1.12173511 -0.26952757 -0.30862781 0.56350984 0.38234165 -0.86282929 0.47707852 -1.17721878 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 90162-60-0 65681 170466617 A Isbufylline CC(C)Cn2cnc1c2C(=O)N(C)C(=O)N1C Tox21_112621_1 -NCGC00095042-06 196717062 tox21-ror-cho-viability-p1 set2 4 0.74889778 0.89346332 0.07950119 3.1171858 5.43333442 -1.03138833 4.02824866 2.14396727 -0.62649457 0.45923692 3.2628948 1.51958375 3.83846097 1.2059755 3.62006437 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00159417-06 196717070 tox21-ror-cho-viability-p1 set2 -2.2 62.5631710251 -57.1526750868 -3.687386506 -60.8400615928 3.5117481694 0.9462824946 0.0000124445 1.99503052 -4.59610713 -6.35709042 -2.20930089 1.81353114 -1.29083782 -4.38582208 -1.82648661 -4.89891064 -5.41861861 -6.84033449 -4.24246227 -8.69238375 -13.87742585 -49.87883454 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00015928-05 196717472 tox21-ror-cho-viability-p1 set2 4 0.2984929481 6.9898958759 -5.9898958759 1 4.9549173134 0.522132348 0.1760164504 -7.65640755 -5.43708773 -7.55486747 0.72994421 -4.36693813 -7.51945325 -3.75227537 -13.32491323 1.82617138 0.67042122 -1.97125688 -0.83315076 3.42065511 2.74681196 -3.58392935 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59973-80-7 5472495 170466321 F Sulindac sulfone CS(=O)(=O)c1ccc(cc1)/C=C3\c2ccc(F)cc2C(CC(=O)O)=C3C Tox21_113524_1 -NCGC00167781-06 196717482 tox21-ror-cho-viability-p1 set2 4 -2.92744764 -3.09085059 -14.79821116 -13.75288482 -2.23736282 -16.61970381 -1.25236663 -3.7199791 -1.10396682 -3.97523594 -0.95995226 -13.13524067 0.88310362 0.64417831 -0.61570773 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 200707-85-3 60196365 170465029 A Cetirizine amide dihydrochloride Cl.Cl.NC(=O)COCCN1CCN(CC1)C(c2ccc(Cl)cc2)c3ccccc3 Tox21_113602_1 -NCGC00257440-01 196718330 tox21-ror-cho-viability-p1 set2 -2.1 24.3365162115 -99.2433846819 1.42147027 -97.8219144119 1.01 0.9937344942 1E-10 -0.41391934 1.48454447 0.30188879 0.07709261 0.9410821 4.26703529 0.54172841 3.30834303 0.4253383 -6.40770558 -12.10278145 -21.88536101 -42.4542157 -58.70256842 -81.51826201 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 569-61-9 11292 144213886 A A C.I. Basic Red 9 monohydrochloride Cl.N=C1C=C/C(C=C1)=C(\c2ccc(N)cc2)c3ccc(N)cc3 Tox21_303581 -NCGC00263524-01 196717936 tox21-ror-cho-viability-p1 set2 4 2.18264753 -0.70416289 2.77839105 5.48711531 5.63625458 4.89692628 4.53729951 6.27571624 1.39291486 -1.69005 2.53355891 1.1039114 3.39731427 0.86420362 1.69019544 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 188627-80-7 448812 170465043 A Eptifibatide NC(=O)[C@@H]3CSSCCC(=O)N[C@@H](CCCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2cnc1ccccc12)C(=O)N4CCC[C@H]4C(=O)N3 Tox21_112503_1 -NCGC00257312-01 196718328 tox21-ror-cho-viability-p1 set2 4 -1.10394955 -2.41206523 -2.42991936 -2.5488654 -2.47847937 -3.57049484 -0.88192365 -0.10788049 -2.75273169 -0.58165328 0.46606818 0.05523946 -2.25273618 -6.22542585 -8.9473623 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 460081-99-6 10160166 144213721 B B PharmaGSID_48510 O=C(O)c1cc(ccc1)N(Cc2cccnc2)c3ccc(OC(F)F)c(OC(F)F)c3 Tox21_303410 -NCGC00257445-01 196718329 tox21-ror-cho-viability-p1 set2 4 1.14369095 -1.06368014 0.39953847 -0.03563563 1.61430002 5.82777072 -0.8067788 1.09593074 5.26552812 0.79043755 -1.74435786 -0.82566362 -0.61757077 0.90545336 0.35625657 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1477-55-0 15133 144213677 A F 1,3-Benzenedimethanamine NCc1cccc(CN)c1 Tox21_303362 -NCGC00256770-01 196718335 tox21-ror-cho-viability-p1 set2 4 4.8557733675 5.473588296 0.026411704 5.5 4.4494702849 0.3935051014 0.2973679623 0.82858551 -0.81308674 -0.58598671 1.80019035 1.98854433 0.321886 1.04576631 3.55916024 0.45001739 -8.31132358 1.25228203 5.35987975 4.7953884 5.32230722 0.87977883 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 774-55-0 69885 144212986 A C 6-Acetyl-1,2,3,4-tetrahydronaphthalene CC(=O)c1ccc2CCCCc2c1 Tox21_302669 -NCGC00256338-01 196718352 tox21-ror-cho-viability-p1 set2 4 -0.89915385 -3.63185268 1.97988119 -2.46225245 -0.13361813 -4.68863628 -0.13594331 -3.86178713 -3.93236543 -2.08521712 -2.05867586 -1.77088958 1.46733027 -1.34324999 -1.25051335 1.1689999999E-9 2.614E-9 5.845E-9 1.3069999999E-8 2.922E-8 6.5339999999E-8 1.461E-7 3.267E-7 7.306E-7 0.0000016339999999 0.000003653 0.0000081679999999 0.00001826 0.00004084 0.000091319999999 868-85-9 6327114 144213116 F A Dimethyl hydrogen phosphite O=P(OC)OC Tox21_302799 -NCGC00257024-01 196718756 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -14.420152648 -1.5 -15.920152648 4.9549173134 0.7808482609 0.0118992587 -3.22082657 -2.60615056 -1.92606938 -1.81145522 -2.92530049 -3.01545226 -0.18016558 -2.57313144 0.46706496 -1.52419118 -0.24045116 -4.17024288 0.40188808 -1.04909765 -12.43346054 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-33-3 5280450 144213397 F F Linoleic acid O=C(O)CCCCCCC/C=C\C/C=C\CCCCC Tox21_303080 -NCGC00164449-04 196718163 tox21-ror-cho-viability-p1 set2 4 -2.33793315 -0.25737267 -3.43651652 -6.86652 -0.74205523 -2.35683632 -1.72591335 -1.90159585 0.52641943 -0.12889546 2.38137231 -9.82949415 1.16010386 -0.34203195 -0.00698577 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00257470-01 196718151 tox21-ror-cho-viability-p1 set2 4 2.38083976 0.07559279 1.09150799 2.25262262 1.55339208 1.39694305 1.08261028 3.8961976 2.25097709 3.57427982 1.16677659 0.00516584 1.89364508 1.77697287 1.09970477 2.2419999999E-10 5.012E-10 1.121E-9 2.506E-9 5.6039999999E-9 1.2529999999E-8 2.802E-8 6.265E-8 1.401E-7 3.133E-7 7.005E-7 0.000001566 0.0000035019999999 0.0000078319999999 0.00001751 2497-21-4 17244 144213752 Fns 4-Hexen-3-one CCC(=O)C=CC Tox21_303442 -NCGC00257079-01 196718153 tox21-ror-cho-viability-p1 set2 4 4.4822606 4.00882353 -0.00164802 3.75563054 0.21256885 6.15260998 0.49553096 6.71685985 -2.3064507 -3.75999519 6.31956845 -0.24112328 -0.00901058 1.4992813 1.96027352 1.106E-9 2.4729999999E-9 5.53E-9 1.236E-8 2.765E-8 6.182E-8 1.3819999999E-7 3.091E-7 6.912E-7 0.0000015459999999 0.0000034559999999 0.000007728 0.00001728 0.000038639999999 0.0000864 2016-88-8 16230 144213385 A A Amiloride hydrochloride Cl.Clc1nc(C(=O)NC(=N)N)c(N)nc1N Tox21_303068 -NCGC00257333-01 196718158 tox21-ror-cho-viability-p1 set2 4 0.5732575498 5.2362302359 -3.2362302359 2 2.3331733767 0.3988726533 0.2746098876 0.77712855 -4.45036471 -2.85512995 -0.54465398 -11.44685853 -1.66568638 -1.94302909 -2.22765715 2.77434609 3.43490561 -2.83195663 3.46472386 3.67966117 2.13540409 0.31497131 1.8069999999E-9 4.04E-9 9.0329999999E-9 2.02E-8 4.5159999999E-8 1.01E-7 2.258E-7 5.049E-7 0.000001129 0.000002525 0.0000056449999999 0.00001262 0.00002823 0.000063119999999 0.0001411 9004-96-0 5364420 144213785 F A Polyoxyethylene monoleate O=C(CCCCCCC/C=C\CCCCCCCC)OCCO Tox21_303475 -NCGC00256678-01 196718165 tox21-ror-cho-viability-p1 set2 4 0.56702905 -1.74971177 2.01229141 -5.43681295 -2.22619476 2.87670211 -4.96577099 -2.75114347 -1.52159059 -0.12157927 -5.94544849 -4.00605148 -5.20770695 -4.75274689 -6.43414999 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1118-27-0 240119 144213925 A D Linalyl isovalerate O=C(CC(C)C)OC(C)(CC\C=C(\C)C)C=C Tox21_303620 -NCGC00257442-01 196718566 tox21-ror-cho-viability-p1 set2 4 0.39834924 -1.66394326 0.63942334 1.08457896 2.2219188 5.10396657 2.62105881 4.05527328 3.03195396 1.59451299 4.15641356 5.18773329 0.36735738 2.89976733 3.81566686 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-19-6 31289 144213908 F Fns Nonanal CCCCCCCCC=O Tox21_303603 -NCGC00254463-01 196714445 tox21-ror-cho-viability-p1 set2 4 1.04101601 0.87789721 0.85637778 1.05295984 0.86055141 3.54804333 2.29183398 0.25294332 0.108317 0.90052822 0.53243916 3.9528874 5.5227402 3.16937595 2.724066 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 100-97-0 4101 144210820 A Ac Methenamine C1N3CN2CN(CN1C2)C3 Tox21_300502 -NCGC00254006-01 196714434 tox21-ror-cho-viability-p1 set2 4 -0.25695657 -2.90247739 -0.9048916 -2.94522156 -10.87786442 -3.40953662 -3.18366154 -12.45718631 -5.72228191 -5.15037682 -3.46028929 -8.48970665 -1.33213715 -6.49739298 -0.32369069 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 614-45-9 11966 144210390 C tert-Butyl perbenzoate CC(C)(C)OOC(=O)c1ccccc1 Tox21_300070 -NCGC00163903-03 196714441 tox21-ror-cho-viability-p1 set2 4 11.5261845168 9.4523996321 0.5476003679 10 2.4063783767 0.8334773725 0.0036755829 -2.04366636 1.40456821 -0.03868113 1.18817702 2.05842462 2.07691053 1.67710378 1.62680037 -1.15466171 0.48696389 0.85238301 1.5976433 10.80966183 9.10362297 8.49403401 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00254729-01 196714444 tox21-ror-cho-viability-p1 set2 4 3.10916342 0.5544764 -0.51705884 0.40701711 0.58847002 -0.55780056 1.86990019 3.14400296 0.52834426 1.4092979 0.33988575 2.62882535 4.79426116 3.38128541 2.82104934 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24934-91-6 32739 144211142 A Ac Chlormephos CCOP(=S)(OCC)SCCl Tox21_300825 -NCGC00254522-01 196714848 tox21-ror-cho-viability-p1 set2 4 0.73386003 2.40161125 -0.09067121 -1.06778341 0.78656059 0.06004595 0.28926901 3.03323273 -0.0064984 0.04225842 0.24780249 -0.46437657 4.25093974 2.63137072 5.86561637 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51-79-6 5641 144210812 A A Urethane NC(=O)OCC Tox21_300494 -NCGC00254816-01 196714850 tox21-ror-cho-viability-p1 set2 4 -3.83372179 -0.52727934 -4.43854707 -4.01913783 -1.68194409 -1.47830878 -3.99204192 -2.94818518 -4.63676256 -1.48238571 -3.30267176 2.26967908 2.93126696 0.7866184 4.15563958 2.017E-9 4.5099999999E-9 1.008E-8 2.255E-8 5.042E-8 1.1269999999E-7 2.521E-7 5.637E-7 0.00000126 0.000002818 0.0000063019999999 0.000014089999999 0.00003151 0.000070459999999 0.00015759999999 556-61-6 11167 144211229 FNS Methyl isothiocyanate C\N=C=S Tox21_300912 -NCGC00254263-01 196714862 tox21-ror-cho-viability-p1 set2 4 -0.45723676 -3.45536797 0.1036251 1.06119257 -1.96176374 -4.96534702 -11.62082104 -2.25701037 -3.34020408 2.73323801 -3.75785459 -0.117642 -2.17572324 -7.1156313 4.78615699 1.125E-9 2.517E-9 5.627E-9 1.2579999999E-8 2.8139999999E-8 6.2909999999E-8 1.4069999999E-7 3.1459999999E-7 7.034E-7 0.0000015729999999 0.000003517 0.000007864 0.00001759 0.000039319999999 0.00008793 82385-42-0 443755 144210921 A F Sodium saccharin hydrate [Na+].O.O=C1[N-]S(=O)(=O)c2ccccc12 Tox21_300604 -NCGC00254198-01 196715260 tox21-ror-cho-viability-p1 set2 4 -4.89538561 0.36492455 0.31684283 2.30054571 0.44883051 -0.48193386 1.48582343 0.09216608 -0.80781993 0.43696858 -1.0863584 -2.36741063 -3.86556485 0.89016166 -3.99726033 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-87-6 7833 144210631 A I 4-Vinyl-1-cyclohexene dioxide O1CC1C2CC3OC3CC2 Tox21_300311 -NCGC00255456-01 196701374 tox21-ror-cho-viability-p1 set1 4 30.6378586933 -17.008929912 3 -14.008929912 1.8851180601 0.7625428609 0.0160460046 0.82338863 4.47677134 0.86160288 4.31563068 8.4959042 4.63528774 4.97024715 -1.16816458 5.69293287 0.79634051 1.17869843 -0.28916053 1.28370503 -9.73366876 -11.67410826 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 595-33-5 11683 144212677 A A Megestrol acetate CC(=O)[C@@]3(OC(C)=O)CC[C@H]2[C@@H]4C=C(C)C1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_302360 -NCGC00255613-01 196700561 tox21-ror-cho-viability-p1 set1 -2.1 24.3365162115 -82.7698005086 1.463460256 -81.3063402526 1.3437170999 0.9879099645 2.5E-9 -1.10771334 1.76297265 -0.9489303 1.73348529 1.54228524 1.50436229 0.66667802 0.46497294 -0.55121772 3.60544985 -0.93753533 -18.94277835 -29.01846072 -52.32626586 -71.75994759 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4638-48-6 14869 144211954 A A 5-Chlorosalicylanilide Oc2ccc(Cl)cc2C(=O)Nc1ccccc1 Tox21_301637 -NCGC00256015-01 196700564 tox21-ror-cho-viability-p1 set1 4 -2.59595197 -2.60745507 -2.73939126 -1.7509011 -1.79555102 -3.25199435 -3.23487443 -2.3056928 -3.30157944 -0.57970637 -0.45991847 -3.2047853 -2.04588535 -0.49630173 5.03073312 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3570-55-6 77117 144211919 F A 2,2'-Sulfanediyldiethanethiol SCCSCCS Tox21_301602 -NCGC00256199-01 196701377 tox21-ror-cho-viability-p1 set1 4 2.19537823 0.7499506 0.2285695 0.96414969 0.8336672 -1.32940112 0.08044266 1.5182141 1.26477758 -1.50366156 -6.55011656 -0.71754427 -0.39448039 -5.77418025 1.2620431 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 4532-64-3 548353 144212139 F 2,3-Butanedithiol CC(S)C(C)S Tox21_301822 -NCGC00257552-01 196700579 tox21-ror-cho-viability-p1 set1 4 61.130564862 -18.798817332 -1 -19.798817332 3.9899729863 0.7210292205 0.029559961 -0.12044835 2.1290042 1.15565163 -5.68485329 -3.46293975 1.75494782 -0.46030572 -0.33445858 1.93473729 -5.08253065 0.98760541 -4.02435875 1.24644266 -4.38174842 -16.91568111 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 929-73-7 458426 144212019 A A Dodecylamine hydrochloride Cl.CCCCCCCCCCCCN Tox21_301702 -NCGC00255270-01 196700174 tox21-ror-cho-viability-p1 set1 4 -0.22471145 2.20868703 0.1482216 1.54214587 2.62400461 2.29505744 0.9150937 1.32986406 -0.6535751 1.1639841 0.28451609 0.09305629 1.60479964 2.90573895 5.35691521 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 6145-73-9 22522 144212738 A B Tris(2-chloropropyl) phosphate ClC(C)COP(=O)(OCC(Cl)C)OCC(C)Cl Tox21_302421 -NCGC00256292-01 196700575 tox21-ror-cho-viability-p1 set1 4 -2.63087991 -0.8600043 -3.80077882 -0.02802223 -1.28766428 -4.76510916 -1.90797851 -2.48854312 -0.4050233 0.1596506 -1.14590995 -0.33544039 1.78037107 0.00712824 3.87631986 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55-16-3 6852406 144212543 A A Scopolamine hydrochloride Cl.OC[C@H](c1ccccc1)C(=O)O[C@H]2C[C@@H]3N(C)[C@H](C2)[C@H]4O[C@@H]34 Tox21_302226 -NCGC00018221-08 196700576 tox21-ror-cho-viability-p1 set1 4 0.0013852607 8.3536027319 -9.3536027319 -1 4.9549173134 0.4506455337 0.2295216177 -6.96133561 -0.75932453 -1.35713955 -1.31554789 -3.91991272 -2.69215424 -0.21028762 -2.23569652 4.1317408 -0.05615648 -0.36400464 -0.61863077 0.11633133 -1.15937779 -0.97170056 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00255784-01 196700584 tox21-ror-cho-viability-p1 set1 -2.1 60.6956566923 -82.7352099944 -3.231054748 -85.9662647424 3.5722481694 0.9634649316 0.0000014763 -10.36851556 -1.31159891 -1.99290341 0.76608262 1.50277116 -3.93445623 -3.42429093 -2.77155492 -6.137898 -3.26413226 -1.67868084 0.21670103 -10.90429853 -17.88312658 -70.80777632 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.0000036659999999 0.000008198 0.00001833 0.00004099 0.000091659999999 630-56-8 169870 144212650 A A Hydroxyprogesterone caproate CC(=O)[C@@]3(OC(=O)CCCCC)CC[C@H]2[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_302333 -NCGC00255693-01 196700593 tox21-ror-cho-viability-p1 set1 4 0.62000302 -2.0604791 -1.05660427 0.16942544 0.60766007 -2.01789338 -0.9638649 -1.30710609 4.24454235 -2.43093376 -1.22166916 -0.10010079 -0.59078136 0.53499907 7.11437823 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 533-23-3 10780 144212533 A F 2,4-D-ethyl ester Clc1cc(Cl)ccc1OCC(=O)OCC Tox21_302216 -NCGC00255953-01 196700984 tox21-ror-cho-viability-p1 set1 4 -0.85867058 -2.004363 -0.90471942 -1.97931067 0.73357434 -0.71136761 2.19429939 1.75279562 0.1151702 7.41842731 2.79224011 2.13718482 1.13691364 1.24257037 -3.74629033 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-04-9 7119 144212460 A A 2-Methoxynaphthalene COc1ccc2ccccc2c1 Tox21_302143 -NCGC00091483-03 196700985 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -30.74913358 -1.5 -32.24913358 0.9999999999 0.4935795363 0.1840295744 -3.86601816 2.72992527 2.84728841 -4.78321899 2.68674836 3.22350251 5.1593437 -12.96771634 -7.34890802 -4.86252789 -9.1056434 -1.49570316 -3.82247824 -8.67581365 -23.54094465 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00357048-01 196724432 tox21-ror-cho-viability-p1 set3 4 48.5577336745 8.7886270599 -1.7886270599 7 3.9899729863 0.3678855516 0.3051768526 -3.81233056 2.3366927 -4.84233126 -0.2854333 -3.41821712 -2.26846051 3.42338798 -1.8693648 -3.86360979 -3.50941477 3.4822217 -1.60373881 -5.24052255 1.8780468 6.22680619 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 868-57-5 13357 251919958 Fc Methyl 2-methylbutyrate CC(CC)C(=O)OC Tox21_303742 -NCGC00357086-01 196724430 tox21-ror-cho-viability-p1 set3 4 0.0021689943 14.3107080959 -11.8107080959 2.5 0.5 0.5688681915 0.1216165413 -8.17559008 -2.85694268 -1.21475541 -1.08110903 -0.25124831 -2.00780273 -2.66536096 3.05877088 6.40371523 0.22098271 -1.04301739 1.9562531 5.71655915 0.88278666 3.66894426 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4584-46-7 11636816 251919902 A (2-Chloroethyl)dimethylamine hydrochloride Cl.ClCCN(C)C Tox21_303802 -NCGC00357272-01 196724433 tox21-ror-cho-viability-p1 set3 4 -3.46219012 1.47746872 1.22764004 1.09956614 -0.88882392 6.84376438 -4.06749301 -6.85536773 -7.1021346 -3.95256413 8.15810929 -1.6587248 -3.34504956 1.3022725 2.8211692 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 150-46-9 9009 251919766 F Triethyl borate CCOB(OCC)OCC Tox21_303940 -NCGC00259934-01 196724832 tox21-ror-cho-viability-p1 set3 4 3.8022289183 20.39403752 -10.39403752 10 0.3 0.4405699098 0.2502369849 -12.02806774 -6.35483451 -5.57910373 -16.5783646 0.02680435 -0.82005081 -3.16982327 -4.44000243 -7.91762075 2.15461874 -8.22415759 4.10726834 3.02040432 5.34689135 -16.99612453 1.166E-9 2.6069999999E-9 5.829E-9 1.303E-8 2.9139999999E-8 6.517E-8 1.457E-7 3.2579999999E-7 7.286E-7 0.000001629 0.0000036429999999 0.000008146 0.00001821 0.00004073 0.00009107 80-43-3 6641 144209583 A A Dicumyl peroxide CC(C)(OOC(C)(C)c1ccccc1)c2ccccc2 Tox21_202385 -NCGC00091086-02 196724833 tox21-ror-cho-viability-p1 set3 4 -2.47084388 -0.24059858 2.8881422 -4.00958239 1.91376569 0.84152916 2.62777751 -3.36487057 1.7410639 0.2953198 -3.94680274 -2.52095144 -3.75850495 2.47606341 1.64880864 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00260499-01 196724499 tox21-ror-cho-viability-p1 set3 4 8.8284682868 -6.726836828 2.5 -4.226836828 4.9549173134 0.4057224352 0.2677404813 -3.10460046 3.0058134 2.42334767 4.86335005 2.24002033 -0.04785064 8.51169421 4.87520556 -4.35529299 3.16018176 5.78175988 -0.89081382 -3.83397453 -5.18903069 -2.77402974 1.202E-9 2.688E-9 6.01E-9 1.344E-8 3.005E-8 6.7199999999E-8 1.503E-7 3.36E-7 7.5129999999E-7 0.0000016799999999 0.0000037559999999 0.0000084 0.00001878 0.000042 0.000093909999999 98-98-6 1018 144210151 F A Picolinic acid O=C(O)c1ccccn1 Tox21_202953 -NCGC00260467-01 196724506 tox21-ror-cho-viability-p1 set3 4 2.69575976 -1.83390294 7.78930501 -0.7299059 -3.74990378 6.85674818 0.97903771 -0.04071705 2.42144396 5.18578954 1.52226959 2.57631686 3.63529967 1.10414991 6.85129865 1.1739999999E-9 2.625E-9 5.87E-9 1.3129999999E-8 2.9349999999E-8 6.5629999999E-8 1.468E-7 3.282E-7 7.338E-7 0.000001641 0.000003669 0.000008204 0.00001834 0.00004102 0.00009172 50438-75-0 93252 144210119 A A p-N,N-Dimethylaminophenethanol CN(C)c1ccc(CCO)cc1 Tox21_202921 -NCGC00260515-01 196724507 tox21-ror-cho-viability-p1 set3 4 0.7664587492 -6.158077616 2 -4.158077616 0.6 0.3037051305 0.3659766868 -2.95337549 5.51817455 3.96702891 -1.19675763 4.74445221 1.82811241 -1.2399793 -5.0923787 -0.8801356 3.46496535 -2.58914349 -5.63413057 -4.69607599 0.77675708 -5.96506468 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.4699999999E-7 3.2859999999E-7 7.3479999999E-7 0.000001643 0.000003674 0.0000082159999999 0.00001837 0.00004108 0.00009185 13520-92-8 159678 144210167 Zirconyl chloride octahydrate O.O.O.O.O.O.O.O.Cl[Zr](Cl)=O Tox21_202969 -NCGC00260260-01 196724905 tox21-ror-cho-viability-p1 set3 -1.1 24.4850856083 -112.4212833458 1.0492271805 -111.3720561653 1.5385888099 0.9500447682 0.0000083569 -0.01128465 4.32314946 7.22793194 6.62190124 6.03571345 -3.24695352 1.38489951 -2.937524 -6.73005153 -2.9798262 -3.73632949 -30.34694469 -26.2156081 -85.68394657 -97.69478611 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.6299999999E-8 1.4829999999E-7 3.315E-7 7.4129999999E-7 0.0000016579999999 0.0000037059999999 0.000008288 0.00001853 0.000041439999999 0.00009266 NOCAS_49391 60196397 144209910 A A Tributyltetradecylphosphonium dodecylbenzenesulfonate O=S([O-])(=O)c1ccccc1CCCCCCCCCCCC.CCCC[P+](CCCC)(CCCC)CCCCCCCCCCCCCC Tox21_202712 -NCGC00253935-01 196719619 tox21-ror-cho-viability-p1 set3 4 0.0054427272 10.5498849919 -12.5498849919 -2 0.8999999999 0.600732156 0.0975252109 -8.77908674 -12.12490416 -5.13550102 -4.32355536 -5.13634371 -4.04456447 0.42457263 -2.19174772 -3.01114025 -1.16041757 -2.44863854 -4.99063941 2.42099271 -5.26409283 0.26662391 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 872-50-4 13387 144210417 A A N-Methyl-2-pyrrolidone O=C1CCCN1C Tox21_300097 -NCGC00256355-01 196719145 tox21-ror-cho-viability-p1 set2 4 -2.18921338 1.21327933 -0.30711704 -10.35608491 -8.37296151 -12.56310767 0.08638266 -1.58967966 0.88832971 -6.99220055 0.20373173 -3.71489854 -2.85600715 -6.03045326 2.38784244 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 461-58-5 10005 144213047 A Cyanoguanidine N=C(N)NC#N Tox21_302730 -NCGC00090760-08 196719153 tox21-ror-cho-viability-p1 set2 -2.4 68.1713220381 -35.39056854 3 -32.39056854 4.9549173134 0.8894226004 0.0005316157 0.39700804 3.69162285 -1.40157684 3.38512281 -0.47748254 7.70532831 4.03540165 5.73739856 5.0008399 1.60047158 6.3559774 3.15670705 0.22349779 1.52648907 -25.74214045 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00163919-02 196719184 tox21-ror-cho-viability-p1 set2 4 0.8168743 -3.28442214 -0.16673658 0.69591644 0.75866755 -4.08682966 -3.73747664 -4.0670647 -2.8085966 -3.58142345 0.63894385 0.08502387 -2.69900928 1.25748475 -2.49141116 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00254693-01 196719614 tox21-ror-cho-viability-p1 set3 4 0.0024505173 17.3463097599 -17.3463097599 0 4.9549173134 0.3456820955 0.3241326545 -14.49033393 -1.37988923 -0.63898877 5.39434005 4.59830666 -16.1219248 -1.10400656 1.41024714 -1.70358668 -2.70243939 4.66442986 0.90864369 2.70769101 2.03004918 -1.75816044 1.742E-9 3.896E-9 8.7119999999E-9 1.948E-8 4.356E-8 9.741E-8 2.1779999999E-7 4.87E-7 0.0000010889999999 0.000002435 0.000005445 0.000012179999999 0.00002723 0.00006088 0.0001361 513-85-9 262 144211106 I A 2,3-Butanediol CC(O)C(C)O Tox21_300789 -NCGC00254412-01 196719617 tox21-ror-cho-viability-p1 set3 4 14.25074124 0.78359112 -5.56814221 2.2413189 -0.16917741 0.03066608 12.80782397 4.41390341 10.78556022 6.58211875 4.03763691 14.3183437 5.82262505 3.32442491 0.41533337 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86386-73-4 3365 144210898 A A Fluconazole OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F Tox21_300581 -NCGC00254042-01 196719626 tox21-ror-cho-viability-p1 set3 4 0.0968854161 8.7584950559 -10.7584950559 -2 0.8999999999 0.4944093062 0.1842524605 -5.5881323 -10.28850185 -11.34980341 -16.04874588 -7.30817861 -9.07668797 -1.38156944 -3.95260948 -1.03161238 -7.2728869 -0.77796174 -4.56238974 1.05970786 -3.61453047 -5.34104345 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-72-5 6984 144210367 A Ac 2-(Butan-2-yl)phenol Oc1ccccc1C(C)CC Tox21_300047 -NCGC00254139-01 196720021 tox21-ror-cho-viability-p1 set3 4 1.64719188 5.73203868 2.30638503 1.47165664 -3.20386504 -3.69848223 10.13853743 9.87592871 -0.54168714 0.03815713 7.66072231 10.86343175 3.57216164 1.75052842 1.79632143 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 115-96-8 8295 144210394 Fc Fc Tris(2-chloroethyl) phosphate ClCCOP(=O)(OCCCl)OCCCl Tox21_300074 -NCGC00254595-01 196720022 tox21-ror-cho-viability-p1 set3 4 0.0044600779 13.5261275159 -14.5261275159 -1 0.6 0.5571009063 0.1306767937 -8.24749129 -13.77177293 -5.95068649 0.6944674 -7.73692632 -6.07664667 -1.84538442 -1.10479461 -1.32223395 -1.05596045 -0.67453871 -0.81819814 1.47875448 -3.52874104 -1.99075643 1.21E-9 2.7049999999E-9 6.0489999999E-9 1.353E-8 3.0249999999E-8 6.7629999999E-8 1.512E-7 3.382E-7 7.561E-7 0.000001691 0.000003781 0.000008454 0.0000189 0.00004227 0.00009452 100-06-1 7476 144211004 A A 4'-Methoxyacetophenone COc1ccc(cc1)C(C)=O Tox21_300687 -NCGC00253925-01 196720036 tox21-ror-cho-viability-p1 set3 4 0.1040575008 12.661630244 -12.161630244 0.5 0.8999999999 0.8553607276 0.0019195999 -11.4437972 -17.63469187 -9.96511546 -7.5231948 -12.09965769 -9.4699029 -8.66175073 -6.284489 -4.39214636 -1.98335046 -0.18342792 1.33813162 -0.02304596 1.08222448 -2.2734887 3.598E-10 8.046E-10 1.7989999999E-9 4.023E-9 8.9949999999E-9 2.011E-8 4.4979999999E-8 1.0059999999E-7 2.2489999999E-7 5.029E-7 0.000001124 0.0000025139999999 0.000005622 0.00001257 0.000028109999999 1401-55-4 16129778 144210399 Tannic acid OC1=CC(=CC(O)=C1O)C(=O)OC1=CC(=CC(O)=C1O)C(=O)OC[C@H]1O[C@@H](OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)[C@H](OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)[C@@H](OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)[C@@H]1OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1 Tox21_300079 -NCGC00254767-01 196720439 tox21-ror-cho-viability-p1 set3 4 11.98639484 4.71723406 15.33915954 -7.93358585 14.47756839 -6.61859307 -7.94261065 15.11135763 15.60667842 -5.48708891 -3.49044979 15.44435028 3.19996308 5.14369113 4.41139936 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 31218-83-4 5372405 144211180 A A Propetamphos COP(=S)(NCC)OC(\C)=C\C(=O)OC(C)C Tox21_300863 -NCGC00258329-01 196715697 tox21-ror-cho-viability-p1 set2 4 5.84046133 0.32382145 -1.52855558 2.82062498 1.17975127 2.8865603 0.73285931 -1.21066203 0.84828022 1.56829562 0.44481575 -1.31494404 1.83826978 2.21037557 1.81046646 1.159E-9 2.591E-9 5.793E-9 1.2949999999E-8 2.8969999999E-8 6.4769999999E-8 1.448E-7 3.239E-7 7.2419999999E-7 0.0000016189999999 0.0000036209999999 0.000008096 0.0000181 0.000040479999999 0.00009052 87-65-0 6899 144207973 Z Z 2,6-Dichlorophenol Clc1cccc(Cl)c1O Tox21_200775 -NCGC00258213-01 196715696 tox21-ror-cho-viability-p1 set2 -2.1 47.6702416765 -94.319413331 -0.607080287 -94.926493618 2.7202212143 0.9944442976 0 -1.11248153 -0.89951498 -1.91766011 -0.23787355 0.00289488 -0.0493026 -1.4283485 0.07758321 0.82345922 -0.68397576 -2.66347475 -3.12100678 -2.6932714 -40.14304391 -80.24734365 1.162E-9 2.5969999999E-9 5.808E-9 1.299E-8 2.9039999999E-8 6.494E-8 1.4519999999E-7 3.247E-7 7.2599999999E-7 0.000001623 0.0000036299999999 0.000008117 0.000018149999999 0.00004059 0.00009075 8001-50-1 22833294 144207857 FNS Strobane ClC2(Cl)[C@]1(Cl)C(Cl)[C@@](Cl)(C(=C)C1(C)C)C2(Cl)Cl Tox21_200659 -NCGC00257570-01 196716110 tox21-ror-cho-viability-p1 set2 4 9.8562788186 8.180844208 -1.180844208 7 3.0654483358 0.8260464756 0.0044753308 2.05527224 -1.89704349 -0.07532348 -2.59000725 -0.59902176 -0.48867645 -2.36121382 -3.48403684 -0.09148578 -1.34368736 -0.04645759 1.00320565 7.44228082 7.24260986 5.40246257 1.197E-9 2.676E-9 5.9839999999E-9 1.338E-8 2.992E-8 6.69E-8 1.496E-7 3.345E-7 7.479E-7 0.0000016719999999 0.00000374 0.0000083619999999 0.000018699999999 0.00004181 0.000093489999999 443-72-1 67955 144207214 A B (N-6)-Methyladenine CNc2ncnc1ncnc12 Tox21_200016 -NCGC00258211-01 196716522 tox21-ror-cho-viability-p1 set2 4 1.70200851 -1.9394869 -6.70065895 -2.42383854 -3.1834801 0 -0.09207411 0.52241519 -0.66241322 -2.49827852 -0.35379838 -3.9899742 1.64305069 -2.56289634 2.115994 1.14E-9 2.5489999999E-9 5.7E-9 1.2749999999E-8 2.85E-8 6.3729999999E-8 1.4249999999E-7 3.1869999999E-7 7.126E-7 0.0000015929999999 0.000003563 0.000007967 0.000017809999999 0.000039829999999 0.000089069999999 79-08-3 6227 144207855 A Bromoacetic acid BrCC(=O)O Tox21_200657 -NCGC00257661-01 196716532 tox21-ror-cho-viability-p1 set2 4 0.00248184 2.53856521 1.27252224 -0.31052542 -9.9555211 0.72519617 0.04999985 -1.31218029 -0.83047833 0.14822388 -2.08264937 0.38370192 2.25162055 0.55375113 -7.86191613 1.196E-9 2.6729999999E-9 5.978E-9 1.337E-8 2.989E-8 6.684E-8 1.494E-7 3.3419999999E-7 7.4719999999E-7 0.000001671 0.000003736 0.0000083539999999 0.000018679999999 0.00004177 0.000093409999999 68085-85-8 6440556 144207305 A A Cyhalothrin Cl\C(=C/[C@@H]3[C@H](C(=O)O[C@H](C#N)c2cccc(Oc1ccccc1)c2)C3(C)C)C(F)(F)F Tox21_200107 -NCGC00263521-01 196716943 tox21-ror-cho-viability-p1 set2 4 0.2371013766 5.4370456479 -0.9370456479 4.5 4.9549173134 0.5782739879 0.1141850529 1.42117557 -0.91272975 2.56309298 -0.67317499 -7.44753804 -1.59633066 -0.06352011 -0.73272515 5.41260619 7.58490608 4.07476771 4.21157407 5.02257391 1.24311256 5.23154419 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14484-47-0 189821 170466610 A Deflazacort CC(=O)OCC(=O)[C@@]54N=C(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_112506_1 -NCGC00178877-03 196716948 tox21-ror-cho-viability-p1 set2 2.2 13.3331902297 58.1200123726 -0.801882959 57.3181294136 1.98874246 0.9585825335 0.000002974 -1.49660044 -2.11748361 0.14474102 -1.24912233 -0.96447018 -0.03285542 -1.27130058 -2.14267392 -0.3930522 0.30102267 -0.66833563 0.1449058 25.73346616 32.96626262 60.16406863 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7246-14-2 23678596 170465152 A Methicillin sodium hydrate [Na+].O.O=C([O-])[C@@H]2N3C(=O)[C@@H](NC(=O)c1c(OC)cccc1OC)[C@H]3SC2(C)C Tox21_111320_1 -NCGC00163771-03 196717343 tox21-ror-cho-viability-p1 set2 4 1.41404426 -1.3552763 -1.05306097 -0.17401218 -0.81450261 7.43221963 10.68882962 8.83667693 0.24831993 0.57481601 -1.47928324 -0.30327402 0.03337347 -3.68510064 -0.01814025 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00016795-11 196717347 tox21-ror-cho-viability-p1 set2 4 0.2371013766 -3.888070616 0 -3.888070616 4.9549173134 0.3802842341 0.3109502995 3.05656557 -2.88672607 -1.83142756 -0.0572524 1.11881466 -2.99706987 3.06404694 0.34184083 -4.94696145 -7.82339218 -0.23281209 -2.59026805 -3.98375225 -2.82659574 2.43427038 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25953-17-7 33254 170466172 A Minaprine dihydrochloride Cl.Cl.Cc2cc(nnc2NCCN1CCOCC1)c3ccccc3 Tox21_111355_1 -NCGC00159420-04 196717359 tox21-ror-cho-viability-p1 set2 4 -3.80526849 1.1222352 -1.81760137 -0.052355 -3.37596934 1.30387148 2.85601624 -1.9420544 -4.30673237 2.00364583 -4.86663644 1.50159912 -1.43661382 0.14229066 2.23413484 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 115-33-3 8269 170466798 A Oxyphenisatin acetate CC(=O)Oc1ccc(cc1)C2(c3ccccc3NC2=O)c4ccc(OC(C)=O)cc4 Tox21_111651_1 -NCGC00249905-01 196717758 tox21-ror-cho-viability-p1 set2 4 0.25560895 0.21244142 0.8185351 4.03418871 2.73505076 4.79507892 5.68862813 4.95358959 0.24372335 2.21705549 3.22932583 3.11240003 0.8673594 0.87598934 2.39529559 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 131-67-9 8573 170466477 A A Phthalofyne O=C(O)c1ccccc1C(=O)OC(C)(C#C)CC Tox21_113681 -NCGC00015659-14 196713644 tox21-ror-cho-viability-p1 set2 4 6.12479008 -1.05540234 5.987432 2.83661311 2.66404841 1.40314264 1.40939142 -0.09563423 -0.79057359 1.36786391 0.11753056 1.09662771 2.64887399 -0.05263613 2.56842742 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5370-01-4 21467 170464740 Mexiletene hydrochloride Cl.CC(N)COc1c(C)cccc1C Tox21_111249_2 -NCGC00263546-01 196713632 tox21-ror-cho-viability-p1 set2 4 -1.12769311 -0.35093135 -1.38187175 0.07548032 -0.53425454 0.64498423 1.01901356 1.87450636 0.06146064 0.05192062 1.46699202 1.72413893 -0.31827245 0.21280822 3.32638381 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82586-52-5 54889 170465131 B Moexipril hydrochloride Cl.O=C(OCC)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2Cc3cc(OC)c(OC)cc3C[C@H]2C(=O)O Tox21_112590_1 -NCGC00257698-01 196702650 tox21-ror-cho-viability-p1 set1 4 1.02142341 2.30464611 1.14935253 0.15413877 3.70474007 4.72861957 6.86492354 4.39133859 9.6811087 6.4502484 0.81813111 -0.84834477 2.46206144 4.23497147 2.77430701 1.2049999999E-9 2.694E-9 6.0229999999E-9 1.347E-8 3.012E-8 6.7339999999E-8 1.506E-7 3.367E-7 7.529E-7 0.0000016839999999 0.0000037639999999 0.000008418 0.00001882 0.00004209 0.000094109999999 26471-62-5 11443 144207342 FC Toluene diisocyanate O=C=N/c1cc(ccc1C)\N=C=O Tox21_200144 -NCGC00258409-01 196702235 tox21-ror-cho-viability-p1 set1 4 3.13847978 2.43667358 1.45661297 3.02852308 -1.69457633 -0.16087826 2.51644573 1.27439654 2.59934573 4.20253016 3.45474901 -12.02481015 -0.16491208 3.00005484 3.60180525 1.188E-9 2.6549999999E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 926-06-7 13551 144208053 D Isopropyl methanesulfonate CC(C)OS(C)(=O)=O Tox21_200855 -NCGC00258307-01 196702233 tox21-ror-cho-viability-p1 set1 4 3.51013647 1.3858883 0.95065992 1.65930774 2.52445991 3.31959801 6.12128972 5.07848154 -1.02054957 1.80957603 1.17616798 0.47317741 8.13603516 3.11739319 -0.39970338 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004124 0.00009223 105-30-6 7745 144207951 A A 2-Methyl-1-pentanol CC(CCC)CO Tox21_200753 -NCGC00258283-01 196702255 tox21-ror-cho-viability-p1 set1 -2.2 62.0019276794 -49.2026299044 -2.879933028 -52.0825629324 1.4641 0.7996367165 0.008007427 -2.1973877 -1.24566717 -5.76060206 0.56064415 -8.00726756 -2.43465602 4.34284321 -6.59172603 -1.81570648 2.23026973 -11.17271387 -11.0845575 -7.15726336 -14.38169414 -39.45648707 1.194E-9 2.671E-9 5.972E-9 1.335E-8 2.986E-8 6.677E-8 1.493E-7 3.338E-7 7.465E-7 0.000001669 0.000003733 0.000008346 0.00001866 0.000041729999999 0.00009331 100-29-8 7495 144207927 F 1-Ethoxy-4-nitrobenzene CCOc1ccc(cc1)[N+]([O-])=O Tox21_200729 -NCGC00258229-01 196702658 tox21-ror-cho-viability-p1 set1 -2.2 19.036675655 -31.017424916 -4 -35.017424916 0.9999999999 0.7534682666 0.0184435228 -3.78675035 -5.27776348 -7.75352975 -2.03236095 -11.18711206 -5.40810665 -7.82800505 7.15489842 2.58731429 -9.62683402 -13.22816377 -12.80029066 -20.16589416 -21.50017258 -31.68118743 1.165E-9 2.6039999999E-9 5.8229999999E-9 1.302E-8 2.911E-8 6.51E-8 1.456E-7 3.255E-7 7.2779999999E-7 0.0000016269999999 0.000003639 0.000008137 0.0000182 0.00004069 0.00009098 95-77-2 7258 144207873 A A 3,4-Dichlorophenol Oc1cc(Cl)c(Cl)cc1 Tox21_200675 -NCGC00258372-01 196702662 tox21-ror-cho-viability-p1 set1 4 6.32560997 0.14805122 2.89738706 4.92810114 -0.8347262 2.12415991 4.61894661 -0.53849882 3.46417868 -0.18378636 1.04480555 0.18178518 1.12183071 6.90893884 3.5376758 1.198E-9 2.679E-9 5.991E-9 1.34E-8 2.996E-8 6.698E-8 1.4979999999E-7 3.3489999999E-7 7.4889999999E-7 0.000001675 0.000003745 0.000008373 0.000018719999999 0.000041859999999 0.000093609999999 136-95-8 8706 144208016 A A 2-Aminobenzothiazole Nc1nc2ccccc2s1 Tox21_200818 -NCGC00258532-01 196702673 tox21-ror-cho-viability-p1 set1 4 27.5561300424 10.7551004999 -5.7551004999 5 4.9549173134 0.6509288442 0.0640190951 -8.41384101 -1.82581247 -7.08040774 -2.37301554 -6.08293952 -2.36481913 -9.03347052 -11.46258375 -5.03711418 -7.72228657 -5.00632548 -5.00408555 -5.25100544 4.28205182 4.40918673 1.189E-9 2.6589999999E-9 5.9469999999E-9 1.3299999999E-8 2.973E-8 6.649E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.0000037169999999 0.0000083109999999 0.000018579999999 0.000041549999999 0.00009292 36362-97-7 11288 144208177 A A 1,2,3-Benzenetricarboxylic acid OC(=O)c1c(cccc1C(=O)O)C(=O)O Tox21_200979 -NCGC00260024-01 196703490 tox21-ror-cho-viability-p1 set1 4 -5.98868945 1.45433628 1.17381356 -0.30052619 -6.44807422 -5.60099862 2.93704603 -1.06521668 2.77980162 0.82936899 0.49633072 0.3248628 -6.21653579 -3.09219919 0.3489133 1.252E-9 2.8E-9 6.2599999999E-9 1.4E-8 3.13E-8 6.999E-8 1.565E-7 3.5E-7 7.8249999999E-7 0.00000175 0.000003913 0.000008749 0.00001956 0.00004374 0.00009782 67-63-0 3776 144209673 FC Isopropanol CC(C)O Tox21_202475 -NCGC00257676-01 196703905 tox21-ror-cho-viability-p1 set1 4 -3.00882986 3.93077441 1.10028394 -5.79607459 -3.86740741 -7.87468265 -0.12270983 -0.63068565 4.53756882 -0.48237383 3.67855244 3.13704787 -4.96843532 0.3265982 -0.89070563 1.194E-9 2.671E-9 5.9709999999E-9 1.335E-8 2.986E-8 6.676E-8 1.493E-7 3.338E-7 7.464E-7 0.000001669 0.000003732 0.000008345 0.00001866 0.000041729999999 0.000093299999999 50-02-2 5743 144207320 A A Dexamethasone OCC(=O)[C@@]4(O)[C@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_200122 -NCGC00258629-01 196701849 tox21-ror-cho-viability-p1 set1 -2.1 57.8507107855 -103.2869697209 -0.372906931 -103.6598766519 2.9022712143 0.9903160239 7E-10 1.05290225 0.95460784 0.46197366 -0.78231509 -1.02342191 -1.66124225 -0.19156489 0.07032694 3.68370821 -0.2636499 -0.8411376 -6.66923694 -2.30451161 -26.03571259 -80.0453611 1.127E-9 2.52E-9 5.636E-9 1.26E-8 2.8179999999E-8 6.3009999999E-8 1.409E-7 3.15E-7 7.044E-7 0.000001575 0.0000035219999999 0.000007876 0.00001761 0.00003938 0.00008806 472-86-6 6436079 144208274 Bc Cc 13-cis-Retinal CC=1CCCC(C)(C)C=1/C=CC(\C)=C\C=CC(/C)=C\C=O Tox21_201076 -NCGC00256214-01 196701441 tox21-ror-cho-viability-p1 set1 4 -0.02515959 0.95980208 1.44622601 0.36519939 2.12166095 -1.04519115 1.43272863 0.87194362 2.46056327 0.44049833 0.06781905 -0.38803247 0.04640546 1.20534251 -0.71177834 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6281-42-1 80480 144212275 Cc 1-(2-Aminoethyl)imidazolidin-2-one O=C1NCCN1CCN Tox21_301958 -NCGC00255671-01 196701451 tox21-ror-cho-viability-p1 set1 4 0.20566013 -0.31984322 2.33457604 -0.16675557 -0.93170918 -2.71786527 2.69516516 -1.14599494 3.21596968 6.6049057 -1.28384165 5.66687372 4.05885357 6.07189913 2.48781904 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2554-06-5 75706 144211844 A 1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane C[Si]1(O[Si](C)(O[Si](C)(O[Si](C)(O1)C=C)C=C)C=C)C=C Tox21_301527 -NCGC00257841-01 196701845 tox21-ror-cho-viability-p1 set1 4 67.4751061423 14.825553352 -2.325553352 12.5 4.9549173134 0.4794460983 0.1979691214 -5.90713684 -1.31370664 0.54401591 0.26644125 -1.07457963 0.27456276 -9.02129446 -3.68464279 -1.80411435 -8.17717967 0.87989588 -0.64832072 1.35158659 -1.44533624 9.76941413 1.164E-9 2.602E-9 5.818E-9 1.301E-8 2.909E-8 6.5039999999E-8 1.454E-7 3.252E-7 7.2719999999E-7 0.0000016259999999 0.000003636 0.00000813 0.00001818 0.00004065 0.0000909 119-39-1 8394 144207485 FNS 1(2H)-Phthalazinone O=C1NN=Cc2ccccc12 Tox21_200287 -NCGC00256650-01 196726579 tox21-ror-cho-viability-p1 set3 4 0.1933118196 -11.9801636599 1.5 -10.4801636599 4.9549173134 0.4032328912 0.2682759081 -0.20061917 2.14994406 1.65944926 0.59421192 1.75952227 2.86420236 1.53126703 -15.17187817 -23.67079534 -4.27175431 -1.7215087 -2.29372926 0.61167299 -10.78863521 -25.81680305 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 505-79-3 62351 144212926 A D 3-(Methylthio)propyl isothiocyanate S=C=N\CCCSC Tox21_302609 -NCGC00018153-10 196725746 tox21-ror-cho-viability-p1 set3 4 13.3331902297 -13.6304876079 6.5 -7.1304876079 4.9549173134 0.5940074667 0.1014631041 0.68750626 7.40532862 -0.48258885 3.77820332 1.63137801 11.31300227 9.10394199 8.41409972 11.33175193 4.47102004 7.55678409 10.38742535 5.3528062 -6.77540634 -6.42426128 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84-17-3 667476 170465362 A Dienestrol Oc1ccc(cc1)C(=C\C)/C(=C/C)c2ccc(O)cc2 Tox21_110378_1 -NCGC00015806-06 196725748 tox21-ror-cho-viability-p1 set3 4 -0.15161231 1.0861745 4.08277474 2.24879774 0.87669584 0.33888865 0.43341809 4.87539463 9.1942201 7.76262533 -2.12341253 -1.10285214 4.01739189 -1.94119186 0.99412498 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53179-13-8 40632 170465606 A Pirfenidone CC2=CN(c1ccccc1)C(=O)C=C2 Tox21_110225_1 -NCGC00181760-01 196726158 tox21-ror-cho-viability-p1 set3 4 0.1157736504 13.778926564 0.721073436 14.5 4.9549173134 0.4574506631 0.2168771702 -0.7690321 -0.85359328 6.19963153 0.16592625 15.91105851 -13.14910547 0 0 18.57567458 17.30518276 13.64899897 24.94647764 0.93910946 12.87923191 13.71774579 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 64808-48-6 47462 144206494 A A Lobenzarit sodium [Na+].[Na+].O=C([O-])c2ccc(Cl)cc2Nc1ccccc1C([O-])=O Tox21_112941 -NCGC00256744-01 196726581 tox21-ror-cho-viability-p1 set3 4 0.16903999 -0.36242937 2.39951491 2.18660863 1.29264639 1.18376971 0.91790039 -1.00258987 0.054742 2.44492405 2.63436059 -0.94582586 -1.01985153 2.06603566 2.15263247 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 104-50-7 7704 144212886 A A 4-Octanolide CCCCC1CCC(=O)O1 Tox21_302569 -NCGC00256367-01 196726582 tox21-ror-cho-viability-p1 set3 4 -5.57412711 0.33277676 0.81795502 -9.05873672 0 -1.65289078 -10.89266363 -0.25245824 0 0 0 -3.6300629 0.26273719 -0.19307451 1.14265849 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2016-57-1 8916 144213255 A Ac 1-Decanamine CCCCCCCCCCN Tox21_302938 -NCGC00256349-01 196726583 tox21-ror-cho-viability-p1 set3 4 -5.00293227 1.44198294 -1.31604287 2.24911144 1.01523287 1.44553765 -3.78210986 -5.53094496 -2.4770584 -0.49919208 0 2.27591401 1.51064781 2.33511939 1.14561404 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-13-1 7855 144213268 FNS Acrylonitrile C=CC#N Tox21_302951 -NCGC00256609-01 196726586 tox21-ror-cho-viability-p1 set3 4 0.0053033233 36.28078523 30.88495428 13.13030713 3.84952366 4.23690652 -2.20320563 4.68299996 -0.46998769 0.80830344 3.61382967 0.17208972 17.20510226 -0.45174403 5.02754047 11.43741265 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 280-57-9 9237 144213225 Fns 1,4-Diazabicyclo[2.2.2]octane C1CN2CCN1CC2 Tox21_302908 -NCGC00256846-01 196726989 tox21-ror-cho-viability-p1 set3 4 -0.4643008 -5.0213282 -0.88678242 -0.61503856 -5.88397934 -0.70334385 -5.4139193 0.31492864 -5.02772579 -0.17916843 1.22341841 -0.43787238 -0.55985196 -0.12953003 -0.4388426 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 698-76-0 12777 144213016 Cc D delta-Octanolactone CCCC1CCCC(=O)O1 Tox21_302699 -NCGC00257064-01 196726651 tox21-ror-cho-viability-p1 set3 4 4.23903714 -0.1282759 0.75728354 -2.85149541 0.25600002 0.46165298 3.38618707 4.56001321 2.93737889 0.62255085 0.66805166 -2.72859338 2.66622094 0.18967762 3.8940583 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1333-39-7 11867 144213413 A A Phenolsulfonic acid Oc1ccccc1S(O)(=O)=O Tox21_303096 -NCGC00018257-08 196726238 tox21-ror-cho-viability-p1 set3 4 -8.1576877 -4.98809111 -0.91450974 -2.64928205 -4.19745751 9.39977047 10.00665212 -0.19912142 -5.57912986 -1.7088602 11.98283219 -1.24683701 6.41302117 -0.58024928 -1.02954982 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 532-03-6 4107 170464808 A Methocarbamol NC(=O)OCC(O)COc1ccccc1OC Tox21_110454_1 -NCGC00091426-02 196726247 tox21-ror-cho-viability-p1 set3 4 -10.60777991 0.86777928 -9.18052685 -0.48209257 -11.36350965 -2.44007863 -9.6599684 -0.92996109 0.68906833 -1.09685585 0.79213805 -7.67711713 -8.05891356 -13.72011193 -13.74465675 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00163903-03 196720872 tox21-ror-cho-viability-p1 set3 4 -0.25231964 0.20443007 5.82943702 -1.29392958 -0.05155391 7.85438507 -4.53681307 9.68476567 -0.330702 3.32281246 0.15867814 0.83037751 0.73959727 0.66636004 4.18970625 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00164164-02 196720865 tox21-ror-cho-viability-p1 set3 4 -6.88877566 -9.50265905 -2.19099382 -6.13059145 -3.56296627 -5.89487316 3.00136728 -0.14286497 0.97891915 0.01981441 -3.87117371 -4.15630476 -5.4006705 -3.36624063 -1.16800632 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00254242-01 196720869 tox21-ror-cho-viability-p1 set3 -1.1 1.7228934059 -73.202198558 -7.401190616 -80.603389174 2.3331733767 0.9916989647 3E-10 -7.0250709 -12.23013398 -7.67894576 -1.45695246 -9.91157622 -8.709314 -8.28478394 -8.0064976 -14.40509576 -41.49769244 -75.94267318 -77.8809508 -79.20203636 -82.9854291 -76.51192413 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1461-22-9 15096 144210861 A Tributyltin chloride CCCC[Sn](Cl)(CCCC)CCCC Tox21_300543 -NCGC00254603-01 196720871 tox21-ror-cho-viability-p1 set3 -2.4 0.968854161 -19.8911452681 -3.9563891599 -23.847534428 1.9673362061 0.7981586712 0.0082575654 -3.56104168 -9.59912635 -1.28403936 -0.3803243 -7.70456103 -5.67496894 -1.22380577 -8.34707349 -4.89052041 -26.84226149 -19.81310155 -29.45627869 -15.79678797 -23.99906919 -25.11778143 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 83-79-4 6758 144211012 A B Rotenone C=C(C)[C@@H]2Oc3ccc1C(=O)[C@H]4c5cc(OC)c(OC)cc5OC[C@H]4Oc1c3C2 Tox21_300695 -NCGC00090702-02 196721268 tox21-ror-cho-viability-p1 set3 4 30.6378586933 10.580911508 -4.080911508 6.5 4.9549173134 0.5434814729 0.1415120759 -4.67022216 -4.54739656 -3.05187961 6.61174753 -5.49208736 -7.15075959 -6.14428459 -5.24112198 -6.44445225 -4.18875629 -5.02691854 -5.62723018 -3.19500123 4.76917245 6.47021751 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00259906-01 196721663 tox21-ror-cho-viability-p1 set3 4 1.9764478575 -13.0522686039 -2.5 -15.5522686039 0.8999999999 0.7254757176 0.0277888991 -6.66910827 -5.39225973 -1.98486115 4.06532125 -3.48396103 -4.5663047 -4.58514506 -4.52775396 -4.89529592 -6.95719252 -10.31532732 -18.79355717 -14.69962963 -10.83920756 -15.38247926 1.202E-9 2.688E-9 6.01E-9 1.344E-8 3.005E-8 6.7199999999E-8 1.503E-7 3.36E-7 7.5129999999E-7 0.0000016799999999 0.0000037559999999 0.0000084 0.00001878 0.000042 0.000093909999999 484-20-8 2355 144209555 A A 5-Methoxypsoralen COc1c3ccoc3cc2OC(=O)C=Cc12 Tox21_202357 -NCGC00259394-01 196721672 tox21-ror-cho-viability-p1 set3 4 -6.34799715 -3.84462321 -2.83311415 -3.14976099 -3.90098784 -2.07986578 -3.02585806 -2.63025216 -3.94618871 -1.46677616 -1.41543185 -6.77763105 -2.74346374 -0.92420095 -2.54618938 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.65E-8 1.487E-7 3.325E-7 7.435E-7 0.000001663 0.000003718 0.000008313 0.00001859 0.00004156 0.000092939999999 5216-25-1 21277 144209043 A 4-Chlorobenzotrichloride ClC(Cl)(Cl)c1ccc(Cl)cc1 Tox21_201845 -NCGC00254208-01 196719632 tox21-ror-cho-viability-p1 set3 4 3.3992054422 -12.68255982 8.5 -4.18255982 4.0949729863 0.5445912752 0.1557907156 5.33795331 7.73495025 5.51748547 4.62248849 3.82012487 4.88539299 10.6831373 14.82984528 20.85674783 4.20630956 1.55704484 -4.37535788 -0.59290496 -6.81879985 3.98128215 1.1689999999E-9 2.6129999999E-9 5.843E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.461E-7 3.2659999999E-7 7.3029999999E-7 0.0000016329999999 0.000003652 0.0000081649999999 0.00001826 0.000040829999999 0.00009129 221246-12-4 23674746 144210524 A A Fandosentan potassium salt [K+].FC(F)(F)c5ccccc5N2C(=C(c1ccccc1S2(=O)=O)c3cc(CC)c4OCOc4c3)C([O-])=O Tox21_300204 -NCGC00256998-01 196719185 tox21-ror-cho-viability-p1 set2 4 -0.44560081 -0.82045058 -5.72115321 -0.50243449 -0.19082358 -7.6180389 -1.57080439 2.77173483 2.6437084 2.201718 -6.13841901 2.77435494 -1.7762241 -2.5479757 -5.14141008 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 484-20-8 2355 144213572 A A 5-Methoxypsoralen COc1c3ccoc3cc2OC(=O)C=Cc12 Tox21_303255 -NCGC00257332-01 196719194 tox21-ror-cho-viability-p1 set2 -2.1 40.3212779718 -82.584709381 -1.892751909 -84.47746129 3.1924983358 0.9633547979 0.0000015016 1.12171592 -0.85266471 -1.71101907 -1.59547096 -7.75893108 -8.64650904 -1.80254007 -2.18544003 -3.07760038 2.1243239 3.41429084 0.9884361 -5.37139287 -19.34705276 -65.51322825 7.579E-10 1.6949999999E-9 3.789E-9 8.473E-9 1.895E-8 4.2369999999E-8 9.4729999999E-8 2.1179999999E-7 4.737E-7 0.000001059 0.0000023679999999 0.000005296 0.00001184 0.00002648 0.00005921 68392-35-8 63062 144213959 I I 4-Hydroxytamoxifen Oc1ccc(cc1)C(c2ccc(OCCN(C)C)cc2)=C(CC)c3ccccc3 Tox21_303657 -NCGC00257284-01 196719200 tox21-ror-cho-viability-p1 set2 4 -0.34244811 -2.57196778 -2.61121134 -2.15443744 0.25881815 -2.92600079 -13.3422228 -6.54608982 -2.28770914 1.04731015 0.76435125 -2.01480787 -1.86960388 -8.5859911 -2.82787094 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19525-59-8 23672325 144213845 A A Potassium anilinoacetate [K+].[O-]C(=O)CNc1ccccc1 Tox21_303539 -NCGC00254392-01 196719635 tox21-ror-cho-viability-p1 set3 4 1.13549757 5.31392427 4.52372253 2.11410996 -0.75497727 0.43850726 -0.42367385 -2.38329905 -1.131925 -1.11672185 0.54602722 -0.20219333 0.424651 -0.12668041 3.37697186 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 629-62-9 12391 144210853 FNS Pentadecane CCCCCCCCCCCCCCC Tox21_300535 -NCGC00256616-01 196718590 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -13.4494922279 0 -13.4494922279 4.9549173134 0.7875025024 0.0104883727 -1.24299686 1.50813697 0.12057858 0.3881773 1.09614401 -0.48608139 0.26430809 -1.18558087 0.23804546 0.75690029 -2.87264907 -3.39355671 0.83206568 0.27386419 -11.20791019 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2409-55-4 17004 144213320 A A 2-tert-Butyl-4-methylphenol CC(C)(C)c1cc(C)ccc1O Tox21_303003 -NCGC00257246-01 196718194 tox21-ror-cho-viability-p1 set2 4 15.8711065401 -17.3629670239 -2 -19.3629670239 2.2526478767 0.6587868974 0.0593515695 -4.66705396 -0.30556038 -0.78728019 -5.90123999 -3.553596 0.37063959 -3.99148811 -3.78674471 -7.68431418 -5.93132663 -1.12289861 1.88800567 -3.66204432 -12.10193891 -16.55247252 4.647E-10 1.039E-9 2.324E-9 5.196E-9 1.1619999999E-8 2.598E-8 5.809E-8 1.299E-7 2.9049999999E-7 6.495E-7 0.0000014519999999 0.0000032469999999 0.0000072619999999 0.000016239999999 0.00003631 17924-92-4 5281576 144213818 A A Zearalenone Oc1cc(O)cc2C=CCCCC(=O)CCC[C@H](C)OC(=O)c12 Tox21_303510 -NCGC00256670-01 196718600 tox21-ror-cho-viability-p1 set2 4 0.21313395 0.07076118 -0.95815391 -3.48761739 -4.46643572 -2.82116029 -6.5614173 1.14265827 -6.11731207 -2.28907723 0.43363963 0.1181141 -3.48436889 -6.22921904 -9.16127381 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2443-58-5 75547 144212912 A A 2-Hydroxyfluorene Oc1ccc2c3ccccc3Cc2c1 Tox21_302595 -NCGC00257258-01 196718601 tox21-ror-cho-viability-p1 set2 4 1.32519998 -0.79425243 -3.5003091 0.8267154 -6.72435326 -3.37943699 -1.39843494 -2.17238569 -2.68626312 -1.4896262 -1.25746925 1.60016993 -5.42812195 -6.25374068 -8.97734713 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2095-03-6 91511 144213731 C C Bis[4-(glycidyloxy)phenyl]methane c2cc(OCC1CO1)ccc2Cc4ccc(OCC3CO3)cc4 Tox21_303420 -NCGC00257179-01 196718610 tox21-ror-cho-viability-p1 set2 4 2.86901638 2.52246031 0.66544489 1.81072834 4.24854327 7.69769069 3.1360308 7.83060682 2.06897494 6.82101354 -0.60329838 0.19765527 2.04851991 2.15850103 -1.35091407 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-55-0 8195 144213418 F Fns 1-Dodecanethiol CCCCCCCCCCCCS Tox21_303101 -NCGC00256471-01 196718612 tox21-ror-cho-viability-p1 set2 4 1.54144469 2.03007874 -1.9296756 -1.56783827 0.93133646 5.85488318 3.13485466 6.10128541 3.24055431 0.96803806 3.5973237 1.61058996 -1.27728356 2.84427794 1.92394877 4.531E-9 1.013E-8 2.2649999999E-8 5.0659999999E-8 1.1329999999E-7 2.533E-7 5.663E-7 0.000001266 0.0000028319999999 0.000006332 0.00001416 0.00003166 0.00007079 0.0001583 0.000354 1321-74-0 66666 144213109 A D Divinylbenzene C=Cc1ccccc1C=C Tox21_302792 -NCGC00257156-01 196719013 tox21-ror-cho-viability-p1 set2 4 -0.33997699 -0.9511098 -0.86506758 -0.97294553 -1.43074561 0.84424691 0.63767569 0.47609271 0.35492434 1.50588801 2.08939794 0.7395086 -1.4473263 5.60110547 1.21325204 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 78-82-0 6559 144213359 FNS 2-Methylpropanenitrile CC(C)C#N Tox21_303042 -NCGC00256467-01 196719016 tox21-ror-cho-viability-p1 set2 4 0.81769108 2.0772373 -0.25893862 3.64035065 0.97237072 5.01029496 0.51977948 4.61298448 2.87020036 0.49710004 -3.8337343 -2.85509527 1.48209127 1.19300121 0.94489483 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 968-81-0 1989 144213052 A A Acetohexamide O=C(NC1CCCCC1)NS(=O)(=O)c2ccc(cc2)C(C)=O Tox21_302735 -NCGC00257847-01 196715724 tox21-ror-cho-viability-p1 set2 4 6.1068403463 16.383958588 -0.883958588 15.5 3.9294729863 0.9157196396 0.0001358609 0.0043436 -1.6849091 -3.10035712 -1.79563426 0.95809402 0.85815644 0.3308996 -0.16337014 0.10484166 -6.56996549 0.8736977 11.9542341 12.10891114 17.62083101 16.36492423 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.9479999999E-8 6.591E-8 1.474E-7 3.295E-7 7.369E-7 0.000001648 0.000003684 0.000008239 0.00001842 0.00004119 0.00009211 13608-87-2 26132 144207491 A A 2',3',4'-Trichloroacetophenone Clc1ccc(C(C)=O)c(Cl)c1Cl Tox21_200293 -NCGC00091380-04 196715310 tox21-ror-cho-viability-p1 set2 4 2.93881781 3.35459975 1.99357783 2.6505869 -0.37301908 3.08416655 0.15963844 3.05488464 3.6449108 1.64855298 1.53706897 4.25973557 5.78633047 4.01221156 1.11393177 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00258147-01 196715713 tox21-ror-cho-viability-p1 set2 1.4 0.0062750439 16.966405536 -18.966405536 -2 0.5 0.7370388149 0.0237878556 -14.13867128 -13.82425019 -10.64557337 -8.69088514 -7.47079693 -1.67343702 -4.93229831 -6.21763808 -3.76615459 -2.86753304 -3.95915314 -4.52660523 -6.22223862 -1.71426736 3.77471302 1.206E-9 2.697E-9 6.0299999999E-9 1.348E-8 3.0149999999E-8 6.7419999999E-8 1.5079999999E-7 3.371E-7 7.538E-7 0.0000016859999999 0.000003769 0.000008428 0.00001885 0.00004214 0.00009423 412009-62-2 22239085 144207791 A A 1-Decyl-3-methylimidazolium trifluoromethanesulfonate FC(F)(F)S([O-])(=O)=O.C[n+]1ccn(CCCCCCCCCC)c1 Tox21_200593 -NCGC00258420-01 196715716 tox21-ror-cho-viability-p1 set2 4 -3.43145163 1.54918783 1.30255646 0.43114324 -1.02759235 1.38227965 0.93632695 -0.96095676 -3.20381152 -2.83396364 0.37136383 -0.04562908 -2.82581353 -0.97882101 -1.6579776 1.177E-9 2.6319999999E-9 5.8849999999E-9 1.316E-8 2.942E-8 6.579E-8 1.471E-7 3.29E-7 7.356E-7 0.000001645 0.0000036779999999 0.000008224 0.00001839 0.000041119999999 0.00009195 1552-42-7 73773 144208064 A A Crystal Violet lactone CN(C)c1ccc(cc1)C3(OC(=O)c2cc(ccc23)N(C)C)c4ccc(cc4)N(C)C Tox21_200866 -NCGC00018291-03 196704336 tox21-ror-cho-viability-p1 set1 4 0.77234787 -1.1712314 -0.12000131 -0.17739418 1.30177221 -0.7854713 -4.71599634 0.73577756 0.4562035 -0.73234763 0.86971744 -1.15550218 0.59973856 -6.72193735 3.18051156 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72332-33-3 688561 170465820 A Procaterol CC(C)N[C@@H](CC)[C@H](O)c2ccc(O)c1NC(=O)C=Cc12 Tox21_110941_1 -NCGC00188864-02 196704323 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -11.710349996 0.5 -11.210349996 4.9549173134 0.7019594925 0.0381236035 0.89384947 2.63305267 -0.18732996 2.90836777 -0.06401879 0.80701123 0.86492679 -2.43352046 0.67785053 2.56968054 -0.35157152 0.13582655 -2.97390275 0.33520049 -9.34195833 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 133454-47-4 71360 170465198 A Iloperidone CC(=O)c4ccc(OCCCN1CCC(CC1)c3noc2cc(F)ccc23)c(OC)c4 Tox21_113610_1 -NCGC00248803-03 196704324 tox21-ror-cho-viability-p1 set1 4 -2.28706651 5.14759585 -1.66142291 5.11550153 -1.47670791 -0.05160577 5.31772241 0.91192458 0.26399754 0.3666739 7.18576565 0.60305387 0.96767997 1.08703039 0.0091687 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3374-22-9 594 170464842 Z DL-Cysteine O=C(O)C(N)CS Tox21_111766_1 -NCGC00091400-02 196704325 tox21-ror-cho-viability-p1 set1 4 1.27906474 3.21023858 -1.14520618 1.44599655 1.26920063 1.24671466 0.1258271 2.97162808 3.46085171 1.6128976 -1.86907789 2.78197998 3.46931469 1.83997891 0.30705832 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 109-57-9 1549517 170465680 A Allylthiourea NC(=S)NCC=C Tox21_111128_1 -NCGC00162068-06 196704735 tox21-ror-cho-viability-p1 set1 4 -0.40964941 3.20961579 1.05507556 0.71567024 3.0525249 0 -2.82643626 8.30087892 3.43665363 3.37287703 2.76666448 2.89321443 -2.67744625 0.18220447 1.13161798 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 909-39-7 71587 170465942 A Opipramol dihydrochloride Cl.Cl.OCCN1CCN(CC1)CCCN3c4ccccc4C=Cc2ccccc23 Tox21_111210_1 -NCGC00090987-05 196704737 tox21-ror-cho-viability-p1 set1 4 -3.91540573 -2.35341663 -4.8355525 0.21961232 -0.38282467 -3.83366762 0.11872529 -1.79350733 -1.76190606 -4.56403321 -0.2167131 0.44869453 -0.22435431 -1.79951602 3.70220071 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 86-87-3 6862 170466030 A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_111051_1 -NCGC00015643-11 196704742 tox21-ror-cho-viability-p1 set1 4 -0.84268384 1.13986949 0.21978735 1.06887518 -4.63142061 0.25241611 -0.54823314 -0.17149832 -0.64270734 1.1474907 0.96221226 1.16586039 -0.61921193 0.11064949 2.26880419 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 364-62-5 4168 170464848 A Metoclopramide Nc1cc(OC)c(cc1Cl)C(=O)NCCN(CC)CC Tox21_110188_1 -NCGC00247725-01 196705150 tox21-ror-cho-viability-p1 set1 4 -2.01716303 0.74115341 2.36464063 -4.42844085 2.60985056 -3.30472112 -3.59597775 2.08804419 2.22631275 1.9699246 -4.12436895 -0.25500807 -3.05440578 -0.31550141 -0.12597177 1.7999999999E-9 4.0239999999E-9 8.998E-9 2.0119999999E-8 4.499E-8 1.0059999999E-7 2.25E-7 5.03E-7 0.000001125 0.000002515 0.0000056239999999 0.00001258 0.00002812 0.00006288 0.00014059999999 NOCAS_48895 60196334 144206444 B B N,N-Diethyltryptamine fumarate O=C(O)/C=C/C(=O)O.CCN(CC)CCc2cnc1ccccc12.CCN(CC)CCc2cnc1ccccc12 Tox21_112891 -NCGC00016936-04 196705158 tox21-ror-cho-viability-p1 set1 4 -0.08914033 2.45180798 1.44640206 -1.0757501 0.77251209 1.97903843 0.19757748 -0.39044003 0.91914412 1.25823882 -4.97903796 0.85095298 -0.92709452 2.54498275 2.73337771 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 78110-38-0 54117 170465110 A Aztreonam Nc1nc(cs1)/C(=N\OC(C)(C)C(=O)O)C(=O)N[C@@H]2C(=O)N([C@H]2C)S(=O)(=O)O Tox21_110692_1 -NCGC00091602-02 196705163 tox21-ror-cho-viability-p1 set1 4 -6.67311306 0.03632769 2.40158942 -1.10444243 0.49543867 -0.78862232 -1.59350337 -0.0578784 1.07277071 1.51287354 1.40790599 0.95998661 0.22783548 -0.39472125 -6.95215337 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00257867-01 196702696 tox21-ror-cho-viability-p1 set1 4 71.1082990174 17.014898852 -2.514898852 14.5 4.9549173134 0.7429474675 0.0219223883 -1.85474334 -3.99928942 -1.20869794 -2.76120322 2.04459366 -2.16453398 -4.48341369 -0.94027169 0.97946858 -2.60855809 -4.56636527 -5.01241571 -3.5633325 -3.65209068 11.4884152 1.216E-9 2.72E-9 6.0809999999E-9 1.36E-8 3.041E-8 6.7989999999E-8 1.5199999999E-7 3.4E-7 7.6019999999E-7 0.0000016999999999 0.000003801 0.000008499 0.000018999999999 0.000042499999999 0.00009502 3569-10-6 6440940 144207511 B A Valerenic acid O=C(O)C(\C)=C\[C@@H]1CC[C@@H](C)[C@H]2CCC(C)=C12 Tox21_200313 -NCGC00258702-01 196702282 tox21-ror-cho-viability-p1 set1 4 3.46263437 -0.1555651 1.37357279 3.12221449 2.40599405 6.99640495 3.57571832 4.88886721 6.82828273 1.84344986 5.58518549 0.01274735 7.01245928 1.18073672 8.53493919 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.00009229 6151-25-3 5284452 144208348 A A Quercetin dihydrate O.O.Oc1ccc(cc1O)C=3Oc2cc(O)cc(O)c2C(=O)C=3O Tox21_201150 -NCGC00258090-01 196702674 tox21-ror-cho-viability-p1 set1 4 5.97105818 2.65290999 3.72495031 -0.66703071 5.63474471 0.00478364 3.16970534 -0.73837651 4.01209711 4.92526829 0.49344673 -0.52603665 4.2842136 -1.0722589 5.43759228 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.397E-7 0.0000016539999999 0.0000036989999999 0.0000082699999999 0.000018489999999 0.00004135 0.00009247 594-65-0 61144 144207734 A 2,2,2-Trichloroacetamide ClC(Cl)(Cl)C(N)=O Tox21_200536 -NCGC00258783-01 196702693 tox21-ror-cho-viability-p1 set1 4 -1.59194405 0.3147206 1.40956159 -1.43770281 -2.5331803 -1.16134661 1.25725563 -4.58509277 -0.3355304 -2.01427862 -0.43452687 -1.82518636 -0.62422365 -4.7021077 -6.90377659 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.952E-8 6.6E-8 1.476E-7 3.3E-7 7.379E-7 0.0000016499999999 0.00000369 0.0000082499999999 0.000018449999999 0.00004125 0.000092239999999 3131-60-0 65114 144208429 A A 6-Azacytidine O=C2N=C(N)C=NN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Tox21_201231 -NCGC00255131-01 196727837 tox21-ror-cho-viability-p1 set3 4 0.0054482673 5.566906472 -2.066906472 3.5 2.7202212143 0.3272245364 0.3452763365 0 -4.22242206 3.18940369 0.21110025 3.33401999 5.40222583 4.7299598 6.89347559 5.7794527 2.70139895 4.2163594 2.49190994 3.55417808 -3.11931796 2.89353015 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24544-04-5 32484 144212462 A Fc 2,6-Diisopropylaniline CC(C)c1cccc(C(C)C)c1N Tox21_302145 -NCGC00160537-04 196727426 tox21-ror-cho-viability-p1 set3 4 1.29560256 -3.36848343 2.23895041 -5.07344031 1.20457016 -2.27004612 1.05861708 -4.2553374 0.03593726 -19.33157734 -5.89690052 -1.50380982 -1.75059951 0.84268167 -0.90747603 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00257400-01 196727427 tox21-ror-cho-viability-p1 set3 4 -1.54063982 -1.04261546 2.28279423 0.80244315 1.09782118 2.72605251 3.01014938 0.20110194 -0.09323966 3.19729171 -1.10348855 3.19171963 0.22108533 0.71724235 1.47951611 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56038-13-2 71485 144213736 A A Sucralose O[C@H]1[C@H](O[C@H](CO)[C@H](Cl)[C@@H]1O)O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O Tox21_303425 -NCGC00255817-01 196727833 tox21-ror-cho-viability-p1 set3 4 54.4826732819 9.9372052239 -0.9372052239 9 4.5044702849 0.7062847552 0.036353317 -0.15818584 -3.35674311 -1.69402576 -3.69767102 -2.11614612 -0.67020116 1.05080184 0.20474787 1.66781425 -0.57986933 0.86605869 -1.61359395 -1.63545573 1.52644554 8.07132167 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2752-17-2 75982 144211712 F Ac 2,2'-Oxybis(ethylamine) NCCOCCN Tox21_301395 -NCGC00256210-01 196727842 tox21-ror-cho-viability-p1 set3 4 1.67718408 2.21863431 -0.48869055 -1.08976101 2.38848451 1.84014333 3.59058812 3.57533442 -0.68440663 4.09058887 3.77820282 5.07716811 -2.7012969 1.42553606 0.95648087 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2156-96-9 16541 144212056 A Fc Decyl prop-2-enoate C=CC(=O)OCCCCCCCCCC Tox21_301739 -NCGC00256011-01 196728245 tox21-ror-cho-viability-p1 set3 4 3.07695901 10.228887 5.92676786 2.53940926 11.72029329 18.55194222 1.07577884 2.56582026 12.52048335 2.26888449 11.01218894 7.71297777 12.70942109 -3.16504899 -3.50514942 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-63-4 31219 144212100 A A Benzyl propanoate CCC(=O)OCc1ccccc1 Tox21_301783 -NCGC00255583-01 196727924 tox21-ror-cho-viability-p1 set3 4 1.39597782 -1.56221853 -3.50298558 -4.66648043 -1.12197546 4.98276094 1.62536347 -1.60606946 -1.83009189 -1.41747058 1.43002041 5.27441849 -1.72974838 -1.94485822 4.55798764 9.851E-10 2.203E-9 4.9249999999E-9 1.101E-8 2.463E-8 5.5069999999E-8 1.2309999999E-7 2.753E-7 6.157E-7 0.000001377 0.0000030779999999 0.000006883 0.00001539 0.00003442 0.00007696 27344-41-8 33786 144211857 Ac Disodium 4,4'-bis(2-sulfostyryl)biphenyl [Na+].[Na+].O=S([O-])(=O)c4ccccc4C=Cc1ccc(cc1)c3ccc(C=Cc2ccccc2S([O-])(=O)=O)cc3 Tox21_301540 -NCGC00257174-01 196727503 tox21-ror-cho-viability-p1 set3 4 3.8570778872 5.8304727839 -3.8304727839 2 4.9549173134 0.4737253441 0.2039359882 2.62641652 -2.76487931 -3.17165031 -2.56877873 -4.48187183 -6.35325855 -8.60872732 -3.84823526 -2.26056688 -4.51110291 -1.81996151 6.27486593 -0.04144201 0.26275147 2.23339493 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63-74-1 5333 144213653 A A Sulfanilamide Nc1ccc(cc1)S(=O)(N)=O Tox21_303336 -NCGC00257542-01 196727912 tox21-ror-cho-viability-p1 set3 4 21.6899429044 -6.1550911319 0.5 -5.6550911319 1.331 0.4510922139 0.2272932718 0.03716359 0.05462242 0.03124841 -0.0362748 -0.64251728 0.74604171 1.75277996 5.24780544 -2.78468111 4.49681902 -2.09272319 -1.06410552 -2.27394301 -3.43080602 -5.12924261 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7681-11-0 4875 144211610 Potassium iodide [K+].[I-] Tox21_301293 -NCGC00255596-01 196727922 tox21-ror-cho-viability-p1 set3 4 1.4155778 0.55674602 4.78114054 8.0474247 5.33082995 6.50953269 5.28090468 8.9648988 -4.14993663 7.82231927 9.76107767 5.8812305 6.80554684 1.20891205 -3.49409925 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 1713-15-1 15580 144212720 A A 2,4-D-isobutyl Clc1cc(Cl)ccc1OCC(=O)OCC(C)C Tox21_302403 -NCGC00255733-01 196728335 tox21-ror-cho-viability-p1 set3 4 0 2.64997904 0.49890352 6.77021215 -0.98480516 5.65046823 4.25092322 4.59399424 -1.04056685 4.84028358 6.41658629 -6.46731484 2.46474317 -1.63115422 2.49293269 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27775-00-4 119716 144212299 F Fns Isononanamine CC(C)CCCCCCN Tox21_301982 -NCGC00256109-01 196728733 tox21-ror-cho-viability-p1 set3 4 1.39182094 -1.6675246 -1.10486323 -3.25074643 1.37252697 2.59776361 3.9919499 -2.88237176 3.65290734 -0.99265394 3.57528306 -2.22278212 2.33677232 -0.2532234 3.43050032 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2705-87-5 17617 144212099 A Ac Prop-2-en-1-yl 3-cyclohexylpropanoate O=C(CCC1CCCCC1)OCC=C Tox21_301782 -NCGC00255289-01 196728738 tox21-ror-cho-viability-p1 set3 -2.1 55.1482208978 -114.4827069691 2.82057818 -111.6621287891 2.2481167061 0.9921682223 2E-10 -0.75970847 3.74396099 7.20169639 4.34123152 2.41724168 1.26136114 1.04421806 6.74475542 2.58331573 2.66878722 0.09705344 1.41654426 -7.39451931 -37.0194813 -84.59252181 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 148081-72-5 119193 144211562 A A 1-O-Hexyl-2,3,5-trimethylhydroquinone Cc1cc(OCCCCCC)c(C)c(C)c1O Tox21_301245 -NCGC00259662-01 196721697 tox21-ror-cho-viability-p1 set3 4 12.89889952 12.45244836 9.37705639 13.09732889 12.2939252 11.84073628 8.7606974 10.73581766 10.59671925 3.79533343 7.8968925 14.72960624 12.39120506 16.18717198 12.08118448 1.1679999999E-9 2.612E-9 5.8409999999E-9 1.3059999999E-8 2.92E-8 6.53E-8 1.4599999999E-7 3.265E-7 7.3009999999E-7 0.0000016319999999 0.0000036499999999 0.000008162 0.00001825 0.00004081 0.00009126 87-61-6 6895 144209311 B F 1,2,3-Trichlorobenzene Clc1cccc(Cl)c1Cl Tox21_202113 -NCGC00258884-01 196721682 tox21-ror-cho-viability-p1 set3 4 0.0119742233 11.438555024 -12.938555024 -1.5 3.5117481694 0.6274220665 0.0782888461 -11.89641166 -9.49492538 -17.86546252 -5.1222045 -2.33655223 1.48386933 0.95516325 -9.71868289 -1.66549466 2.89209766 -5.18688651 -0.38500926 2.43240497 -0.83117313 -3.63316693 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.4519999999E-7 3.2479999999E-7 7.2619999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 99-51-4 7440 144208530 A A 1,2-Dimethyl-4-nitrobenzene Cc1ccc(cc1C)[N+](=O)[O-] Tox21_201332 -NCGC00258924-01 196721686 tox21-ror-cho-viability-p1 set3 4 27.4727179077 9.284168604 0.715831396 10 4.9549173134 0.7467181185 0.0208163093 0.04431677 0.3862141 5.36667853 1.28645768 -0.20095203 1.65001264 -2.73680717 0.5849063 -0.2116338 1.65654812 -0.96426868 -0.43427629 0.68702388 10.53788573 8.76180818 1.1859999999E-9 2.653E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001854 0.00004145 0.00009268 111-87-5 957 144208571 A A 1-Octanol CCCCCCCCO Tox21_201373 -NCGC00258846-01 196721701 tox21-ror-cho-viability-p1 set3 4 23.9163917037 10.820744004 -9.320744004 1.5 4.9549173134 0.5296146838 0.1530629736 -14.01728667 -11.38359623 -8.72339458 0.38715131 -9.49764067 -11.42545546 -8.29856546 -8.08317724 -12.18952614 -6.20310542 -8.5686759 -12.84040532 -8.46614896 2.57700562 0.02338669 1.163E-9 2.602E-9 5.817E-9 1.301E-8 2.909E-8 6.5039999999E-8 1.454E-7 3.252E-7 7.2719999999E-7 0.0000016259999999 0.000003636 0.00000813 0.00001818 0.00004065 0.000090889999999 96-45-7 2723650 144208492 A Ac Ethylene thiourea S=C1NCCN1 Tox21_201294 -NCGC00259746-01 196722078 tox21-ror-cho-viability-p1 set3 4 -9.92652629 -3.04176979 -3.74471662 5.48238308 -10.13972385 -8.37665595 -5.372238 -9.84891574 -8.50052809 -6.23160676 -7.88264854 -13.00610144 -4.03886667 -3.70889766 1.12279552 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.566E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.000008207 0.00001835 0.00004103 0.00009176 834-28-6 13266 144209395 A A Phenformin hydrochloride Cl.N=C(N)NC(=N)NCCc1ccccc1 Tox21_202197 -NCGC00249927-01 196697284 tox21-ror-cho-viability-p1 set1 -2.4 29.8492948118 -25.72354668 0.5 -25.22354668 4.9549173134 0.8770867214 0.0008905511 2.06811078 -0.43102976 1.39102761 -2.25132421 -1.21341266 0.65787756 -0.93302482 -2.0689894 0.90541207 3.99110409 3.55385052 -3.92711806 2.56692219 -2.76934774 -22.6862889 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 154-82-5 71622 170466023 A A Simetride O=C(COc1ccc(CCC)cc1OC)N2CCN(CC2)C(=O)COc3ccc(CCC)cc3OC Tox21_113703 -NCGC00183016-01 196697618 tox21-ror-cho-viability-p1 set1 4 0.27409506 0.72745875 0.51750361 -2.47201749 0.14137361 0.23137881 -0.19362788 -4.57571699 -0.70940615 -4.06552397 4.08476686 0.30763039 -0.64528366 -0.76132186 -1.65765173 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82547-58-8 5464257 144206853 B B Cefteram Nc1scc(n1)/C(=N\OC)C(=O)N[C@@H]4C(=O)N3C(=C(Cn2nc(C)nn2)CS[C@@H]34)C(=O)O Tox21_113302 -NCGC00024623-04 196697625 tox21-ror-cho-viability-p1 set1 4 -3.43717637 0.20198373 -0.75300463 -1.36503721 0.15274629 -0.22728614 -0.84050573 -1.01983162 0.85383296 -2.90007321 -2.74300483 0.30269941 1.04360521 -2.06621109 -1.69693913 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1229-29-4 6419921 170465413 I Doxepin hydrochloride Cl.CN(C)CC\C=C1\c3ccccc3OCc2ccccc12 Tox21_110130_1 -NCGC00091643-08 196697283 tox21-ror-cho-viability-p1 set1 4 30.6378586933 -10.8715410879 -0.5 -11.3715410879 1.5385888099 0.5747778411 0.1168283617 -3.91389549 -3.66956017 -0.66222438 2.14374103 -0.6757568 -2.38564991 3.94836339 1.4574205 -3.18365785 1.62778494 -0.14373262 0.09293326 -7.25496007 -4.92236479 -10.72628424 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00261979-01 196697289 tox21-ror-cho-viability-p1 set1 -2.4 26.6032120037 -35.1959066521 -3.9633382719 -39.159244924 1.0999999999 0.9182487529 0.0001161354 -3.97398596 -1.29264953 -2.1599587 -2.86047351 -7.49515828 -2.43313791 -3.95732088 -1.21944856 -7.43211085 -4.73657641 -7.51356893 -8.76700429 -10.57489672 -17.02703521 -29.29937077 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1222-57-7 14652 170466528 A A Zolimidine CS(=O)(=O)c1ccc(cc1)c2cn3ccccc3n2 Tox21_113899 -NCGC00160518-03 196697301 tox21-ror-cho-viability-p1 set1 4 -1.73366453 -1.18647578 0.69102657 -8.05662404 8.03202535 -0.01787253 -0.42429082 -0.11098457 -0.47865148 1.19944085 1.16398396 -0.01749038 1.29270605 0.08005266 3.9492901 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 113617-63-3 60605 170465644 A Orbifloxacin C[C@@H]1CN(C[C@H](C)N1)c2c(F)c(F)c3c(c2F)N(C=C(C3=O)C(=O)O)C4CC4 Tox21_111867_1 -NCGC00091612-09 196697306 tox21-ror-cho-viability-p1 set1 4 -3.4313508 -0.32895934 -0.4221977 -1.21830119 -1.43907673 -2.31590013 -3.38597197 0.48885348 -0.76627487 -2.94380557 1.78489983 -0.97227188 0.13449378 3.89382495 -0.9931184 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 102-76-1 5541 170465543 F Triacetin O=C(C)OC(COC(C)=O)COC(=O)C Tox21_111155_1 -NCGC00257430-01 196719031 tox21-ror-cho-viability-p1 set2 -1.2 0.3375955411 -24.151815076 -0.5 -24.651815076 1.331 0.877056217 0.0008863235 -2.59221261 1.09262906 -1.8001483 0.68156356 -3.09090688 -2.24055656 -4.69151919 -10.36244405 -20.92536119 -18.78199129 -30.53127759 -13.96468516 -22.74206 -25.41409306 -30.54317923 1.056E-9 2.3609999999E-9 5.279E-9 1.18E-8 2.6399999999E-8 5.902E-8 1.32E-7 2.9509999999E-7 6.599E-7 0.000001476 0.0000032999999999 0.0000073779999999 0.000016499999999 0.00003689 0.000082489999999 66-81-9 6197 144213954 A A Cycloheximide O=C2CC(C[C@@H](O)[C@@H]1C[C@@H](C)C[C@H](C)C1=O)CC(=O)N2 Tox21_303652 -NCGC00018221-08 196719035 tox21-ror-cho-viability-p1 set2 4 1.87070149 -0.64238044 -1.23322216 2.76063337 -0.91008139 0.99142944 -1.37151149 7.32300737 0.7682915 1.53016326 2.45378655 0.0993262 2.63215501 2.39944426 -0.01664655 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.331E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00258781-01 196715744 tox21-ror-cho-viability-p1 set2 4 -0.94828882 0.51643042 -0.92709879 -0.27848503 -1.12057661 -1.40036914 -0.64352688 -1.31189962 -0.00432844 -2.71128059 -2.83574557 0.36467958 -1.82169461 -4.93556487 -8.86795049 1.191E-9 2.663E-9 5.955E-9 1.332E-8 2.977E-8 6.6579999999E-8 1.489E-7 3.3289999999E-7 7.4439999999E-7 0.0000016639999999 0.0000037219999999 0.000008322 0.00001861 0.000041609999999 0.00009305 1137-42-4 14347 144208427 A A 4-Hydroxybenzophenone O=C(c1ccc(O)cc1)c2ccccc2 Tox21_201229 -NCGC00258083-01 196715335 tox21-ror-cho-viability-p1 set2 4 1.4690139 -0.26252559 -1.29960346 -3.05594567 -0.95236308 -1.35563213 -1.82446329 0.7674182 -2.1286582 -1.1763852 -5.1595533 -4.05178245 0.478978 0.25514428 -0.35255282 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.000041259999999 0.000092249999999 18069-17-5 12046 144207727 A A 2-Methylpentanedioic acid CC(CCC(O)=O)C(=O)O Tox21_200529 -NCGC00258212-01 196715728 tox21-ror-cho-viability-p1 set2 -3 7.0337099663 -38.3818976839 -3.5 -41.8818976839 4.9549173134 0.5716571277 0.1705505405 -2.30369457 -1.16320473 -1.34582394 0.27001755 -0.26075933 -25.2969835 -1.21615998 -1.50475239 -1.04014278 -0.29247036 -3.00929317 -31.56824807 -0.10656992 1.23984766 1.2452591 1.2049999999E-9 2.694E-9 6.0229999999E-9 1.347E-8 3.012E-8 6.7339999999E-8 1.506E-7 3.367E-7 7.529E-7 0.0000016839999999 0.000003765 0.000008418 0.00001882 0.00004209 0.00009412 95-47-6 7237 144207856 FC ortho-Xylene Cc1ccccc1C Tox21_200658 -NCGC00258640-01 196715730 tox21-ror-cho-viability-p1 set2 -2.1 21.7782030624 -94.1979042734 1.7031260239 -92.4947782495 1.8079476909 0.9778799491 8.49E-8 1.95672163 2.73432846 3.34201665 0.47614119 3.28675306 1.57553484 -0.46619317 1.40426111 0.11552297 -0.4749604 -1.91741683 -4.10189769 -48.65516115 -62.01854596 -89.62672311 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 4074-88-8 19996 144208286 A A Diethylene glycol diacrylate O=C(OCCOCCOC(=O)C=C)C=C Tox21_201088 -NCGC00258601-01 196716147 tox21-ror-cho-viability-p1 set2 4 0.0014748328 -8.940195524 10 1.059804476 0.7 0.385195129 0.2920734803 7.35305695 2.94517922 2.99883909 3.43881749 1.92748094 3.07014533 2.32464133 -1.65144985 1.28963218 0.99116567 3.06897252 2.7010598 0.63061908 4.19359927 -3.28349627 1.141E-9 2.552E-9 5.707E-9 1.276E-8 2.854E-8 6.381E-8 1.4269999999E-7 3.19E-7 7.134E-7 0.000001595 0.000003567 0.000007976 0.00001784 0.00003988 0.00008918 822-36-6 13195 144208246 A A 4-Methylimidazole Cc1cncn1 Tox21_201048 -NCGC00257655-01 196716156 tox21-ror-cho-viability-p1 set2 4 -2.28555185 -1.03475581 -1.17628552 -5.61047164 -2.90772994 -0.18015703 -3.39791201 -3.70748039 -2.15087222 -5.79000649 -7.69185766 2.12325949 -4.00135125 0.19377507 -0.41241536 1.1919999999E-9 2.6659999999E-9 5.9609999999E-9 1.333E-8 2.981E-8 6.6649999999E-8 1.49E-7 3.332E-7 7.451E-7 0.0000016659999999 0.000003726 0.0000083309999999 0.00001863 0.000041649999999 0.000093139999999 460345-16-8 2734247 144207299 A A 1-Hexyl-3-methylimidazolium trifluoromethanesulfonate FC(F)(F)S([O-])(=O)=O.C[n+]1ccn(CCCCCC)c1 Tox21_200101 -NCGC00257589-01 196716166 tox21-ror-cho-viability-p1 set2 4 -3.3395889 -0.06833015 -7.94430387 -0.42604446 -4.30445046 -8.04465156 -0.10028968 -3.58888134 -1.0815257 1.3869354 2.17324752 2.14688616 -7.57004154 -6.17927986 -4.20537833 1.19E-9 2.661E-9 5.95E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003719 0.000008315 0.00001859 0.00004158 0.00009297 100-69-6 7521 144207233 Ac Fns 2-Vinylpyridine C=Cc1ccccn1 Tox21_200035 -NCGC00258475-01 196716559 tox21-ror-cho-viability-p1 set2 -2.4 59.5178138292 -31.077655244 -1 -32.077655244 3.1924983358 0.9473298631 0.0000112515 -4.77904428 0.27779298 -2.53459953 -1.14254691 -1.63160582 -1.90437764 -2.43098004 0.82689167 0.14755825 -0.30836335 1.18479288 -0.19546861 -1.52591945 -8.30344233 -25.48137937 1.154E-9 2.5809999999E-9 5.772E-9 1.291E-8 2.886E-8 6.453E-8 1.443E-7 3.227E-7 7.215E-7 0.0000016129999999 0.000003607 0.000008066 0.000018039999999 0.000040329999999 0.00009018 159989-65-8 64142 144208119 A A Nelfinavir mesylate CS(=O)(=O)O.Oc1cccc(c1C)C(=O)N[C@@H](CSc2ccccc2)[C@H](O)CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C Tox21_200921 -NCGC00090708-05 196716564 tox21-ror-cho-viability-p1 set2 -2.4 24.3365162115 -26.21575518 -0.5 -26.71575518 1.692447691 0.9921127367 2E-10 -1.72229343 -0.93534933 0.23062695 -0.73218872 -0.68471562 -0.84275342 -1.5285313 0.84252179 -0.88739245 -0.23872214 -1.98421601 -3.47483598 -10.68127737 -19.04222679 -24.34646265 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00257824-01 196716582 tox21-ror-cho-viability-p1 set2 4 68.3804186691 13.3878900601 0.6121099399 14 0.4 0.7466251878 0.0211635363 0.30551327 1.04533323 1.48395066 -1.15657505 1.14116043 2.46499047 3.39354462 0.96053004 2.41618462 2.85240796 4.59840761 5.70330382 3.28600777 5.02063879 10.33129536 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.3529999999E-7 0.0000016439999999 0.0000036769999999 0.000008221 0.000018379999999 0.00004111 0.00009192 1025-15-6 13931 144207468 A A Triallyl isocyanurate C=CCN1C(=O)N(CC=C)C(=O)N(CC=C)C1=O Tox21_200270 -NCGC00255008-01 196714215 tox21-ror-cho-viability-p1 set2 4 -0.67877485 1.90956626 -1.15143548 1.78004383 3.48532731 1.76449005 -1.48478448 -1.37538184 1.19593261 -0.38418586 3.29631378 3.63249891 3.18950798 2.95106183 -0.24279512 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-29-6 5355856 144211425 B F Geranyl butyrate C\C(C)=C\CCC(\C)=C\COC(=O)CCC Tox21_301108 -NCGC00254907-01 196714614 tox21-ror-cho-viability-p1 set2 4 -8.52818985 -12.39850963 -9.90971675 -15.01232724 -2.98635245 -11.12998092 -14.14241805 -18.55578268 -13.56483437 -13.24064242 -14.91364816 -14.37063062 -13.09511839 -13.53130306 -8.91881745 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-33-8 8046 144211322 A Fc Dihexyl hexanedioate O=C(CCCCC(=O)OCCCCCC)OCCCCCC Tox21_301005 -NCGC00066947-05 196714196 tox21-ror-cho-viability-p1 set2 4 2.64362778 3.19260182 -0.22926778 -0.2293323 2.62010351 -0.76158354 0.20236077 -1.56492316 -0.99618916 1.22499682 0.18514546 1.08736659 5.95255891 3.83222823 -1.58024596 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00254916-01 196714201 tox21-ror-cho-viability-p1 set2 4 31.1512481929 10.7922820679 -1.7922820679 9 2.4063783767 0.7618341377 0.0164501835 -1.05022974 -0.30845728 0.27148257 -1.81262652 -1.54798711 -2.53996127 -1.56859765 -5.24356839 -1.34209659 -3.80633068 -0.40288953 0.6536881 -2.67756746 6.46944882 8.10352205 1.087E-9 2.431E-9 5.436E-9 1.215E-8 2.718E-8 6.077E-8 1.359E-7 3.039E-7 6.794E-7 0.0000015189999999 0.000003397 0.000007596 0.000016989999999 0.000037979999999 0.00008493 609-54-1 11868 144211331 A A 2,5-Dimethylbenzenesulfonic acid Cc1ccc(C)cc1S(O)(=O)=O Tox21_301014 -NCGC00254754-01 196714620 tox21-ror-cho-viability-p1 set2 4 61.130564862 -13.797645492 0.5 -13.297645492 4.9549173134 0.803582791 0.0075376678 -0.32926582 -0.97374068 -0.19714586 0.50896874 0.29753095 -0.85973732 3.67009209 -0.83211023 0.15917991 0.590171 -1.08498854 -0.23814146 3.90777914 -1.36561767 -11.49803791 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3337-71-1 18752 144211168 D Asulam Nc1ccc(cc1)S(=O)(=O)NC(=O)OC Tox21_300851 -NCGC00254496-01 196714624 tox21-ror-cho-viability-p1 set2 2.4 38.5707788719 28.892198268 1.107801732 30 0.8999999999 0.920923027 0.0000978954 0.30471792 1.1004184 4.82273846 -0.04513776 -0.31109937 -0.32683189 0.79299422 0.63820414 2.25792858 5.58271304 1.51396676 8.03594221 11.79900784 13.53550852 23.28388334 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69655-05-6 50599 144210892 A C 2',3'-Dideoxyinosine O=C3NC=Nc2c3ncn2[C@H]1CC[C@@H](CO)O1 Tox21_300575 -NCGC00255099-01 196714630 tox21-ror-cho-viability-p1 set2 4 0.04970118 -2.08445223 1.3075269 -3.19012304 0.34402562 3.53548462 0.36620137 0.58336015 -1.3494981 -1.18442818 2.02809206 0.01048003 -2.73305711 0.70662509 -5.59142238 9.438E-10 2.11E-9 4.719E-9 1.055E-8 2.3589999999E-8 5.276E-8 1.1799999999E-7 2.6379999999E-7 5.899E-7 0.000001319 0.0000029489999999 0.0000065949999999 0.00001475 0.00003297 0.00007373 1689-84-5 15531 144211519 A A Bromoxynil Brc1cc(cc(Br)c1O)C#N Tox21_301202 -NCGC00255022-01 196715028 tox21-ror-cho-viability-p1 set2 4 1.82508781 -0.3191912 1.78449829 -0.81942608 0.04030335 -0.24987266 0.68865875 0.23350926 1.17420837 0.88090602 -0.88148899 2.06031283 5.13450763 0.71942059 0.79401599 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-02-5 235414 144211440 A Ac Pentadecan-15-olide O=C1CCCCCCCCCCCCCCO1 Tox21_301123 -NCGC00254210-01 196715039 tox21-ror-cho-viability-p1 set2 2.1 7.6610007208 86.5356206211 0.275029091 86.8106497121 3.5117481694 0.9923158201 6.3E-9 -1.70317146 -0.45677068 -1.54488895 0.06411169 -0.45989541 -0.36617392 0.47463583 0.58871005 0.91975733 6.2433686 5.21247072 43.73970602 85.10848011 63.72531451 27.54643916 1.0679999999E-9 2.3869999999E-9 5.3379999999E-9 1.1939999999E-8 2.6689999999E-8 5.9679999999E-8 1.335E-7 2.9839999999E-7 6.6729999999E-7 0.0000014919999999 0.000003336 0.00000746 0.00001668 0.0000373 0.000083409999999 NOCAS_47342 60196403 144210550 A A SR125047 Cl.COc1cccc(c1)c2ccc(cc2Cl)/C=C\CN3CCCCCC3 Tox21_300230 -NCGC00257722-01 196715445 tox21-ror-cho-viability-p1 set2 4 3.25629711 4.37586478 0.02667257 2.31449811 3.36561695 4.41129139 1.4383029 -0.47670812 2.09780159 0.38745602 1.21567587 0.07347857 -0.45570973 0.74610903 -0.75068717 7.952E-10 1.778E-9 3.976E-9 8.891E-9 1.9879999999E-8 4.445E-8 9.94E-8 2.223E-7 4.97E-7 0.000001111 0.000002485 0.000005557 0.00001242 0.000027779999999 0.00006212 76150-91-9 5382 144207366 AC A 1,4-Bis[2-(3,5-dichloropyridyloxy)]benzene Clc3cc(Cl)cnc3Oc1ccc(cc1)Oc2ncc(Cl)cc2Cl Tox21_200168 -NCGC00258268-01 196715452 tox21-ror-cho-viability-p1 set2 4 7.15110207 3.61689275 0.92274444 1.1365552 1.98810279 2.64743687 0.87419609 0.46318572 1.05055594 0.89769094 1.28631232 0.70547327 0.97671922 -0.16137753 1.19900046 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.000092909999999 7795-95-1 82261 144207912 A A 1-Octanesulfonyl chloride ClS(=O)(=O)CCCCCCCC Tox21_200714 -NCGC00258041-01 196715455 tox21-ror-cho-viability-p1 set2 4 1.69641344 3.07069178 4.85077242 3.37652932 4.62598658 3.64174634 1.56258516 3.76053024 2.86021485 2.5519895 -0.19488871 6.99743317 4.25781511 1.85607988 2.40570994 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.00004119 0.000092099999999 51-55-8 174174 144207685 A A Atropine CN3[C@H]1CC[C@@H]3C[C@@H](C1)OC(=O)C(CO)c2ccccc2 Tox21_200487 -NCGC00258748-01 196715464 tox21-ror-cho-viability-p1 set2 4 -0.63149602 -1.3386478 -0.66838044 -0.01202017 -0.10745982 0.01909171 -0.41321397 0.04643991 0.00396099 -1.1436502 -1.45494651 0.15677342 -0.41584205 1.3456595 1.22570827 1.167E-9 2.6109999999E-9 5.837E-9 1.305E-8 2.919E-8 6.5259999999E-8 1.459E-7 3.2629999999E-7 7.297E-7 0.0000016319999999 0.000003648 0.0000081579999999 0.000018239999999 0.000040789999999 0.000091209999999 127-18-4 31373 144208394 Tetrachloroethylene Cl/C(Cl)=C(/Cl)Cl Tox21_201196 -NCGC00255676-01 196700911 tox21-ror-cho-viability-p1 set1 4 3.8531557681 11.63593808 -3.13593808 8.5 0.2 0.3153798278 0.356009778 -1.1143378 2.46828243 -6.7799484 1.90799607 1.86943988 -3.3454084 3.41740555 2.66623653 1.53953014 -0.66847471 6.08015695 1.75738421 3.13825179 2.49868767 6.14645083 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 140-39-6 8797 144212667 A A 4-Tolyl acetate O=C(C)Oc1ccc(C)cc1 Tox21_302350 -NCGC00255974-01 196700093 tox21-ror-cho-viability-p1 set1 4 48.5577336745 12.9842217399 -3.9842217399 9 0.4 0.5974128556 0.1005404705 -2.6074053 -6.23685145 -0.35029682 -5.45327895 -4.98681315 -3.97748387 -3.5301132 -0.61958116 0.09474992 0.24275661 -0.92486421 -0.62401855 -0.70692495 0.0963344 6.30924954 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.000003688 0.000008248 0.00001844 0.00004124 0.000092209999999 144-49-0 5237 144212746 A A Fluoroacetic acid FCC(=O)O Tox21_302429 -NCGC00256282-01 196700492 tox21-ror-cho-viability-p1 set1 4 68.5896218971 12.98431106 0.01568894 13 0.8999999999 0.4670593213 0.2102447978 -0.82216277 -2.78573211 -4.15359255 1.47324301 0.23274498 -0.19351741 0.39674183 2.28071827 -2.26212146 5.6869392 4.21128414 -2.32365144 1.21078423 5.22610476 9.25559836 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 31983-27-4 1551245 144211590 I Fns (2Z)-3,7-Dimethylocta-2,6-dienenitrile C\C(C)=C\CCC(/C)=C\C#N Tox21_301273 -NCGC00255143-01 196700909 tox21-ror-cho-viability-p1 set1 4 -6.11952024 0.8032128 -0.49141626 14.28654892 -0.60600897 0.33862026 1.60176952 5.18644393 0.90547159 0.74756146 -4.31810036 -7.09588784 -3.8531257 -0.35753703 0.87122944 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 38194-50-2 1548887 144211735 A B Sulindac CS(=O)c1ccc(cc1)/C=C3\c2ccc(F)cc2C(CC(=O)O)=C3C Tox21_301418 -NCGC00255836-01 196700913 tox21-ror-cho-viability-p1 set1 4 -0.28775135 0.73500701 -1.22259333 -2.52218751 0.20513411 11.65216674 0.16559773 -2.93023135 -2.5158292 13.9739352 0.2632954 -0.21487361 0.22475316 0.12381241 -3.88303554 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 53558-25-1 40813 144212569 A A Pyrinuron [O-][N+](=O)c1ccc(cc1)NC(=O)NCc2cccnc2 Tox21_302252 -NCGC00256239-01 196701323 tox21-ror-cho-viability-p1 set1 4 -5.46989379 -0.70181111 -0.58858448 0.34223934 -4.21373588 0.87806587 0.05425926 2.10547247 0.56693903 2.63060713 -3.40668633 0.32126745 -0.74897593 1.72166584 -0.39077492 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 26842-43-3 92251 144212130 F Fns 2-Amino-2,4-dimethylpentanenitrile CC(C)CC(C)(N)C#N Tox21_301813 -NCGC00255850-01 196701339 tox21-ror-cho-viability-p1 set1 4 0.01708798 4.63380983 2.47949695 3.77630832 6.10633458 9.77794327 0.90097951 4.95045082 10.7438418 9.98453269 0.57327536 2.42952487 0.68872287 0.0625148 6.2311095 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18854-01-8 29307 144212526 A A Isoxathion S=P(Oc1cc(on1)c2ccccc2)(OCC)OCC Tox21_302209 -NCGC00255611-01 196701344 tox21-ror-cho-viability-p1 set1 4 21.6899429044 6.03780044 0.46219956 6.5 4.9549173134 0.3972703589 0.2778906107 0.65371748 -1.35723612 3.22082147 -0.18536735 7.29743831 0.53523196 -3.3648337 2.30752952 -0.07471728 -1.40592511 -0.01514981 0.47719431 2.1187031 6.41475295 5.99264333 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2495-39-8 23690996 144212122 Ac Ac 2-Propene-1-sulfonic acid, sodium salt [Na+].[O-]S(=O)(=O)CC=C Tox21_301805 -NCGC00258256-01 196701741 tox21-ror-cho-viability-p1 set1 4 -10.33638756 -9.12753609 -11.88641066 -3.1959997 -3.33389551 -8.69692859 -15.22345205 -6.73058484 -12.5017722 -14.32427792 -12.40211767 1.42583106 -13.46817806 -1.32318401 -5.41471409 1.2009999999E-9 2.686E-9 6.005E-9 1.3429999999E-8 3.003E-8 6.714E-8 1.501E-7 3.3569999999E-7 7.506E-7 0.0000016779999999 0.000003753 0.0000083919999999 0.000018769999999 0.00004196 0.000093829999999 102-81-8 7621 144207900 A Fc 2-(Dibutylamino)ethanol CCCCN(CCCC)CCO Tox21_200702 -NCGC00257588-01 196701763 tox21-ror-cho-viability-p1 set1 4 -3.17009781 -2.65377947 -1.8104694 -0.61801392 0.44046852 1.48392265 8.88382555 2.30555046 -0.19533945 -2.08104475 0.09010723 -0.32297291 -0.24046007 -1.24862944 -2.84909494 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.976E-8 6.656E-8 1.4879999999E-7 3.3279999999E-7 7.441E-7 0.0000016639999999 0.000003721 0.000008319 0.0000186 0.0000416 0.00009301 16045-92-4 27655 144207232 C Chlorobutanedioic acid O=C(O)CC(Cl)C(=O)O Tox21_200034 -NCGC00257998-01 196701747 tox21-ror-cho-viability-p1 set1 4 54.4272718766 -19.6255886919 1.5 -18.1255886919 3.5117481694 0.7088843741 0.0344002343 1.3592389 1.32332632 1.49607815 -4.50571181 0.83440881 6.78175339 3.17949983 2.72816689 4.93216833 1.58236793 3.33303681 -4.11508636 3.70336161 -4.53448455 -15.52132391 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.000018429999999 0.0000412 0.000092129999999 301-02-0 5283387 144207642 A A (9Z)-Octadec-9-enamide NC(=O)CCCCCCC/C=C\CCCCCCCC Tox21_200444 -NCGC00258772-01 196701750 tox21-ror-cho-viability-p1 set1 4 24.733035201 7.667836924 -1.667836924 6 4.0949729863 0.3890868143 0.302818441 -1.93485129 -4.6222346 -5.55653077 2.0582187 3.30269245 -2.36381949 -2.34164348 -3.64212082 -0.81045548 -1.6523427 -0.61970139 -0.31763905 0.15005299 5.2645786 -0.30137818 1.196E-9 2.6749999999E-9 5.981E-9 1.337E-8 2.9899999999E-8 6.6869999999E-8 1.4949999999E-7 3.3429999999E-7 7.476E-7 0.0000016719999999 0.0000037379999999 0.0000083589999999 0.00001869 0.00004179 0.00009345 2743-38-6 75969 144208418 A A Dibenzoyl-L-tartaric acid O=C(O)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c2ccccc2)C(=O)O Tox21_201220 -NCGC00257711-01 196701751 tox21-ror-cho-viability-p1 set1 4 4.09659751 -1.48705331 3.02580428 -1.35605967 3.91866966 0.58806366 2.16129484 5.21887209 -2.42898515 -16.74997968 2.30562682 -0.29372117 12.19712365 4.89574083 0.4558626 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.000091989999999 738-70-5 5578 144207355 A A Trimethoprim Nc2nc(N)ncc2Cc1cc(OC)c(OC)c(OC)c1 Tox21_200157 -NCGC00090773-04 196717518 tox21-ror-cho-viability-p1 set2 4 -2.62728076 -1.29795872 -1.30037573 0.78879709 1.68921638 -12.13596635 0.92868741 -2.79505367 0.58062893 -6.22453368 0.15011683 -3.59060263 -5.06799578 1.19116421 0.58520703 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00016786-15 196717507 tox21-ror-cho-viability-p1 set2 -1.2 0.3349145963 -24.5023331179 -1 -25.5023331179 4.9549173134 0.9007348964 0.0003103317 2.20376039 3.35536371 -2.38557914 -8.04293982 -1.45318411 -1.42856223 -2.5452316 2.2031911 -15.96667318 -21.2486595 -20.41434956 -24.50341385 -29.45702364 -33.93134895 -24.04815434 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 24280-93-1 446541 170465182 A Mycophenolic acid O=C(O)CCC(\C)=C\Cc1c(O)c2C(=O)OCc2c(C)c1OC Tox21_110610_1 -NCGC00179380-04 196717509 tox21-ror-cho-viability-p1 set2 4 1.00695469 -2.15339656 -1.8416414 -1.99983607 -0.31785247 1.84974406 0 0.09140516 -2.24735224 -0.05856523 1.24254496 -2.93171787 -1.25421092 -0.84346085 2.26854501 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7414-83-7 23894 170464730 F Etidronate disodium [Na+].[Na+].CC(O)(P(O)([O-])=O)P([O-])(=O)O Tox21_111596_1 -NCGC00016611-10 196717519 tox21-ror-cho-viability-p1 set2 4 0.1496008549 8.335013548 -8.835013548 -0.5 2.3531167061 0.649330573 0.0647949109 -13.61251129 -9.8152692 -5.36776911 -8.10274293 -5.79973297 -13.51726991 -2.68313949 -6.67881075 -1.4768113 1.48230575 1.73426418 1.58189207 -2.34067109 -3.76828933 -0.06288885 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2438-72-4 2466 170465813 A Bufexamac ONC(=O)Cc1ccc(OCCCC)cc1 Tox21_110522_1 -NCGC00016032-11 196717916 tox21-ror-cho-viability-p1 set2 4 5.26669758 1.28177047 -1.11570258 -0.25938483 0.06840837 -1.3170236 4.9865821 -0.37401347 -0.61676199 1.32887316 -1.20621569 -2.41854295 2.5064903 1.10150792 0.55862261 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1077-28-7 864 170465713 A alpha-Lipoic acid O=C(O)CCCCC1CCSS1 Tox21_110285_1 -NCGC00247731-01 196717922 tox21-ror-cho-viability-p1 set2 4 -1.73764629 -9.00049287 -1.42929913 -0.23052446 -5.77347542 -5.64730638 -0.43501142 -3.53697273 -5.98831137 -0.97953956 -2.93426048 -3.41937982 -2.54248474 -0.7011523 1.15051553 1.163E-9 2.601E-9 5.816E-9 1.301E-8 2.908E-8 6.503E-8 1.454E-7 3.2509999999E-7 7.27E-7 0.0000016259999999 0.0000036349999999 0.0000081279999999 0.00001818 0.00004064 0.00009088 36415-61-9 197059 144206450 A A Ibogaine hydrochloride Cl.COc4ccc5nc1c(CC[N@]3C[C@H]2C[C@@H]1[C@@H]3[C@H](C2)CC)c5c4 Tox21_112897 -NCGC00166413-02 196717925 tox21-ror-cho-viability-p1 set2 4 0.3349145963 8.2231918279 -4.7231918279 3.5 2.7867712143 0.7428749053 0.021862768 -7.68599319 -3.92955174 -5.50214494 -7.3756642 -5.60474422 1.32724168 -5.13398155 -4.01622653 0.08725077 1.93682023 7.20888135 4.26796861 1.493676 1.23926433 4.32391486 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 74863-84-6 152951 170464871 A Argatroban C[C@H]1C[C@H](C(=O)O)N(CC1)C(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c3cccc2C[C@@H](C)CNc23 Tox21_112218_1 -NCGC00247681-01 196717928 tox21-ror-cho-viability-p1 set2 4 0.5709702435 -7.249543224 -2 -9.249543224 4.9549173134 0.5703003771 0.1197310606 -6.10716233 -4.33443524 -2.10343057 -6.35136212 0.93779676 1.54416212 -0.73884992 2.30042536 -10.66485241 -9.00468622 -6.49132106 -6.73439642 -11.76682836 -6.11178091 -13.54128602 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 911-65-9 13493 144206383 B B Etonitazene [O-][N+](=O)c2cc3nc(Cc1ccc(OCC)cc1)n(CCN(CC)CC)c3cc2 Tox21_112830 -NCGC00258098-01 196715879 tox21-ror-cho-viability-p1 set2 4 30.9496935865 -18.5151205359 2.5 -16.0151205359 4.0949729863 0.9150000841 0.0001424967 5.10766036 3.96084334 0.59847498 0.28372101 1.4696107 1.49867342 1.03128179 5.69268927 3.31664689 1.57089895 -0.18470948 2.89322784 0.86287571 -11.36828192 -15.84593378 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.65E-8 1.487E-7 3.325E-7 7.4339999999E-7 0.000001662 0.0000037169999999 0.000008312 0.00001859 0.00004156 0.00009293 1470-57-1 73851 144207742 A A 2-Hydroxy-5-methylbenzophenone O=C(c1cc(C)ccc1O)c2ccccc2 Tox21_200544 -NCGC00258000-01 196715465 tox21-ror-cho-viability-p1 set2 4 1.36785388 4.1022506 1.20005403 2.55729644 1.18833821 0.88044933 -0.4718993 5.318839 3.84014144 2.31200508 -0.06223339 1.82170395 -1.28932474 2.4370706 -1.36460316 1.19E-9 2.6619999999E-9 5.9519999999E-9 1.331E-8 2.976E-8 6.654E-8 1.4879999999E-7 3.3269999999E-7 7.44E-7 0.0000016639999999 0.00000372 0.0000083179999999 0.0000186 0.00004159 0.000093 529-34-0 10724 144207644 A A 1,2,3,4-Tetrahydronaphthalen-1-one O=C2CCCc1ccccc12 Tox21_200446 -NCGC00258029-01 196715861 tox21-ror-cho-viability-p1 set2 4 1.58331629 2.8750103 -0.41236657 2.64653109 0.80921223 1.54404621 3.96892652 0.51240489 1.36464561 -2.26356985 4.13636375 0.86126042 -1.41925776 3.66468365 -1.20514745 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2421-28-5 75498 144207673 A B Benzophenonetetracarboxylic dianhydride O=C1OC(=O)c2cc(ccc12)C(=O)c3ccc4C(=O)OC(=O)c4c3 Tox21_200475 -NCGC00091146-04 196715864 tox21-ror-cho-viability-p1 set2 4 27.3060203028 -15.010683752 -1 -16.010683752 4.9549173134 0.6179714873 0.0845051603 2.59929729 2.07803746 0.37058132 -10.57021538 -2.12229129 -0.65794171 1.73500045 1.207028 -9.12627104 0.70197927 1.65525092 -1.17747645 -1.11839488 -15.84223646 -14.77214566 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00258498-01 196702244 tox21-ror-cho-viability-p1 set1 4 -7.78394719 0.2188339 -7.1116656 1.96704762 -13.64138886 1.28982852 -6.60643478 -7.68826093 -6.98289868 -5.87908415 -5.7024133 -4.5409839 -3.62542595 -6.39054414 -13.84767237 1.148E-9 2.566E-9 5.739E-9 1.2829999999E-8 2.8689999999E-8 6.4159999999E-8 1.4349999999E-7 3.2079999999E-7 7.173E-7 0.000001604 0.000003587 0.00000802 0.00001793 0.0000401 0.00008967 82854-37-3 5281771 144208143 A A Echinacoside Oc1ccc(cc1O)/C=C/C(=O)O[C@@H]5[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@H]5O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O Tox21_200945 -NCGC00258245-01 196702248 tox21-ror-cho-viability-p1 set1 4 6.41867083 1.29291979 1.62319307 3.05179918 5.6070492 5.77011266 -4.98687167 -1.27487423 -0.04158527 -2.62596803 3.69389035 0.02068473 -1.8614514 3.74188002 4.85359477 1.1679999999E-9 2.6109999999E-9 5.838E-9 1.305E-8 2.919E-8 6.5269999999E-8 1.4599999999E-7 3.264E-7 7.298E-7 0.0000016319999999 0.0000036489999999 0.000008159 0.000018239999999 0.000040799999999 0.00009122 8008-26-2 144207889 FNS Lime oil Tox21_200691 -NCGC00258415-01 196702250 tox21-ror-cho-viability-p1 set1 4 1.86795744 1.28047141 -0.44730806 7.2750737 -0.20613706 0.12721804 4.61497078 -0.12747473 1.23549113 -0.48950143 2.85063468 2.6073807 -0.43192961 0.70506925 3.3981033 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.481E-7 3.311E-7 7.4029999999E-7 0.000001655 0.000003701 0.0000082769999999 0.00001851 0.00004138 0.00009253 141-24-2 5354133 144208059 A A Methyl ricinoleate O=C(CCCCCCC/C=C\C[C@H](O)CCCCCC)OC Tox21_200861 -NCGC00258157-01 196702657 tox21-ror-cho-viability-p1 set1 -1.1 21.7120023439 -108.2039831165 2.482005918 -105.7219771985 1.01 0.9354969026 0.0000332577 -3.93097315 0.83377857 0.03896532 0.78312534 6.61884929 5.89360289 11.27360971 0.68470268 -0.55105603 -7.7652937 -25.07557079 -20.01383747 -34.14858346 -83.90633111 -80.62162206 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004127 0.00009229 375395-33-8 16211009 144207801 A A Methyltrioctylammonium bis(trifluoromethylsulfonyl)imide FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC Tox21_200603 -NCGC00254682-01 196699363 tox21-ror-cho-viability-p1 set1 4 2.37068151 1.12229726 0.32559549 -6.88650661 1.12444176 1.26350029 0.89041719 0.32131496 -0.18689367 -0.3404083 -8.54693063 0.5840281 0.02616954 1.3737805 -8.06216244 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23422-53-9 31899 144211095 A F Formetanate hydrochloride Cl.O=C(Oc1cccc(c1)/N=C/N(C)C)NC Tox21_300778 -NCGC00090708-05 196698935 tox21-ror-cho-viability-p1 set1 -2.1 9.6885416101 -64.4569615293 1.0103406814 -63.4466208479 3.1319983358 0.9685006143 0.0000058905 1.24256702 -0.02827191 1.30965216 0.50735084 1.61329081 -0.19762039 3.70295632 -0.57849094 0.81337759 0.90771287 0.20849606 -19.53780421 -66.09023005 -48.61724367 -19.72503846 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00254403-01 196699348 tox21-ror-cho-viability-p1 set1 4 3.52994954 0.73200049 0.84223576 -2.77355376 3.88165566 3.32414355 0.40893984 3.28152756 0.95935758 -2.05281452 0.81400756 0.1985269 0.88993443 0.69303441 0.59486669 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 77-71-4 6491 144210679 A A 5,5-Dimethylhydantoin O=C1NC(=O)C(C)(C)N1 Tox21_300361 -NCGC00254102-01 196699355 tox21-ror-cho-viability-p1 set1 4 0.89341422 4.70745619 -2.71689792 5.243349 6.15482716 5.59694932 5.30056468 -2.30232686 -0.95315937 -2.88899817 -2.99255594 4.90672048 3.69785255 -0.69652117 -1.42743849 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59756-60-4 43079 144210520 A A Fluridone CN1C=C(C(=O)C(=C1)c2cc(ccc2)C(F)(F)F)c3ccccc3 Tox21_300200 -NCGC00254961-01 196699762 tox21-ror-cho-viability-p1 set1 4 1.85339757 -2.45200571 -0.33166255 3.06950355 -2.10553631 2.4375386 3.85342521 -2.4832898 5.0452421 -2.37746837 4.04011525 0.52570123 3.38167189 3.0037841 0.79519602 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98886-44-3 91758 144211376 A A Fosthiazate CC(CC)SP(=O)(OCC)N1CCSC1=O Tox21_301059 -NCGC00253938-01 196699771 tox21-ror-cho-viability-p1 set1 4 0.2851182 -0.99776352 -1.94856794 -1.19695556 1.48715881 0.5934009 -0.08798461 -6.06392973 -0.28686872 -0.20763855 -1.81542716 -0.52257498 1.67446001 1.32966555 1.67136728 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 105-67-9 7771 144210371 A A 2,4-Dimethylphenol Cc1ccc(O)c(C)c1 Tox21_300051 -NCGC00090952-07 196699773 tox21-ror-cho-viability-p1 set1 4 78.2912055491 -17.140184944 0 -17.140184944 4.9549173134 0.5184972531 0.1627605366 -0.69384503 0.16812312 1.51481666 2.20319542 0.56920289 -0.80938216 -0.30850288 3.17786016 -1.07593232 -10.74140538 0.83401018 2.97697635 2.63700845 0.9114386 -13.45015412 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00254649-01 196699775 tox21-ror-cho-viability-p1 set1 -1.2 8.6085846732 -30.5177034303 -0.5 -31.0177034303 3.5117481694 0.9589727943 0.0000028252 1.27029925 -1.71529353 0.35819247 1.81084739 0.00121242 0.49982138 -0.04002686 -4.12092092 -2.83201993 -1.01709053 -1.44417991 -13.55724078 -32.74269738 -24.81657743 -33.87260774 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 1420-07-1 14994 144211060 A A Dinoterb O=[N+]([O-])c1cc(cc(c1O)C(C)(C)C)[N+]([O-])=O Tox21_300743 -NCGC00160412-04 196726007 tox21-ror-cho-viability-p1 set3 2.4 11.8832183006 28.0751881253 -1.8147232289 26.2604648964 4.4494702849 0.8237319482 0.0046315118 0.45270591 -6.13200288 0.10650167 1.77660404 0.06214252 -0.44146655 -0.02235128 -1.40528864 -2.76004615 -4.29394843 -2.13300087 -2.76721925 -0.82346644 34.74160166 18.15251055 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 31386-25-1 65776 170466638 A Indocate CN(C)CCOC(=O)c1cc3c(cc1)n(Cc2ccccc2)c(C)c3C Tox21_111796_1 -NCGC00091632-02 196728019 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -8.7576958279 1 -7.7576958279 3.6772481694 0.3673436578 0.307294332 2.80225293 -2.39321162 1.20591371 -0.8831988 0.00427598 3.32651237 -0.35911277 1.98763461 7.0883422 -0.40427984 3.46865045 0.57983076 -0.9836233 -0.02888254 -5.63141319 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00255438-01 196728020 tox21-ror-cho-viability-p1 set3 4 0 0.63407627 -1.67987234 -0.22104513 -2.74867606 -3.40159437 -2.67393701 10.39793699 -0.39515092 7.9009208 -4.43806201 -4.9145054 -4.16528927 -2.77836041 0.88312565 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1196-01-6 92874 144211748 A Ac L-Verbenone CC2(C)[C@H]1C[C@@H]2C(=O)C=C1C Tox21_301431 -NCGC00017326-05 196726019 tox21-ror-cho-viability-p1 set3 4 0.01757212 2.21851395 1.17008447 -0.59553268 2.81353029 -2.95207481 2.06555128 -1.08236685 -1.54215918 -0.2155412 6.22118107 6.36567541 1.23862953 -0.58442567 -2.20365219 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 29617-43-4 656743 170465706 A (1S,9R)-beta-Hydrastine CN2CCc1cc5OCOc5cc1[C@H]2[C@@H]4OC(=O)c3c(OC)c(ccc34)OC Tox21_110815_1 -NCGC00163724-03 196726013 tox21-ror-cho-viability-p1 set3 4 1.27174329 0.85335685 -8.14146655 -6.91592334 -10.87735923 -7.62560827 -8.34297294 0.3482493 -2.00161427 -11.47769254 -1.3265507 -1.14077408 -1.08513617 2.19498094 -20.22208618 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00015075-10 196726016 tox21-ror-cho-viability-p1 set3 2.2 23.7101376556 51.4395202854 -1.4199174599 50.0196028255 2.7867712143 0.9610555046 0.0000021133 -0.47733601 1.67862234 -4.93326455 -3.83928287 -0.29117516 -0.71544436 -3.59250923 1.00339814 -3.59713313 -4.38331996 1.39840585 3.45965046 0.7319369 19.00287904 43.07370632 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63-75-2 2230 170466659 A Arecoline CN1CC(=CCC1)C(=O)OC Tox21_110079_1 -NCGC00257376-01 196726413 tox21-ror-cho-viability-p1 set3 4 -0.91978755 -6.06519586 -0.2873626 0.47762104 -1.2403175 -0.78197522 1.26370204 0.2840814 0.42069786 1.3650584 -0.83996338 1.86126399 -0.1782332 0.94601805 -0.31422141 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 144-62-7 971 144213663 A Oxalic acid O=C(O)C(=O)O Tox21_303346 -NCGC00256792-01 196726426 tox21-ror-cho-viability-p1 set3 4 0.28956113 -3.3787638 -0.31533722 -6.15205893 -0.39105778 0.58642118 0.40927993 -0.14880155 -0.21402365 -1.90172743 -0.0538519 -2.86555706 0.46779187 0.28337005 -4.39979229 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 28588-74-1 34286 144213026 Fns 2-Methyl-3-furanthiol Cc1occc1S Tox21_302709 -NCGC00256663-01 196726431 tox21-ror-cho-viability-p1 set3 4 0.50084319 2.74379997 -10.72388001 -5.80834467 0 -0.80236351 0 -0.39008903 0 -0.51526239 0 -2.08173536 -6.94826897 -0.27105539 -4.71034375 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-48-5 31211 144212810 A A 4-(4-Hydroxy-3-methoxyphenyl)-2-butanone Oc1ccc(cc1OC)CCC(C)=O Tox21_302493 -NCGC00257069-01 196726844 tox21-ror-cho-viability-p1 set3 4 -0.780842 -0.80472204 1.67054456 1.27976354 1.40288131 -0.20709511 1.55216732 2.12573124 1.73872555 2.16131661 0.78955817 -0.80314026 1.17404996 0.09567257 -0.78109766 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3085-30-1 16684880 144213521 F F Aluminum tributoxide CCCCO[Al](OCCCC)OCCCC Tox21_303204 -NCGC00257277-01 196726847 tox21-ror-cho-viability-p1 set3 4 0.11956381 0.32375935 0 -1.71165768 0.25057582 -22.22140342 -6.69674354 0 -0.83779484 -3.22338542 -6.96680873 -0.4812225 -1.04675722 -1.60420323 3.44788321 8.8929999999E-10 1.988E-9 4.446E-9 9.9419999999E-9 2.2229999999E-8 4.9709999999E-8 1.1119999999E-7 2.486E-7 5.5579999999E-7 0.000001243 0.000002779 0.000006214 0.000013889999999 0.00003107 0.00006947 272451-65-7 11193251 144213743 A A Flubendiamide O=C(Nc1ccc(cc1C)C(F)(C(F)(F)F)C(F)(F)F)c2cccc(I)c2C(=O)NC(C)(C)CS(C)(=O)=O Tox21_303432 -NCGC00256644-01 196727251 tox21-ror-cho-viability-p1 set3 4 -3.37491474 -0.57056196 -0.07796996 -3.75226662 1.55460452 -0.26258841 -2.8403792 0 0 -0.27459407 0 -2.68794967 -2.80597791 1.05003698 -3.69879992 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7785-33-3 5367785 144212809 A Ac Geranyl tiglate C\C(C)=C\CCC(\C)=C\COC(=O)C(\C)=C\C Tox21_302492 -NCGC00256340-01 196727261 tox21-ror-cho-viability-p1 set3 4 -2.51542437 -5.869144 -5.16819048 -5.45298746 -2.56503511 -3.13666622 0 -4.55924339 0 0 0 -6.154899 -5.14118814 -2.95827509 -1.04589311 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-73-3 8489 144213142 A Ac 1-Chloro-3-nitrobenzene O=[N+]([O-])c1cc(Cl)ccc1 Tox21_302825 -NCGC00259106-01 196722025 tox21-ror-cho-viability-p1 set3 4 -2.09747188 -3.75770041 -2.96436194 10.71198225 1.29363011 -4.77388897 -5.70801425 -6.59515262 -1.78967039 -1.05597621 -4.94515261 -4.06222647 -0.7776174 7.33715155 -1.09365979 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 830-13-7 13246 144208755 A A Cyclododecanone O=C1CCCCCCCCCCC1 Tox21_201557 -NCGC00167817-02 196722406 tox21-ror-cho-viability-p1 set3 4 9.17916875 2.42363543 -0.7950716 -1.49522642 -1.79666419 3.72168171 1.86710246 -0.45835989 -1.29316357 0.12912287 9.65063725 -2.81516219 1.61546696 4.20711087 8.64771012 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71119-11-4 51045 170466320 A Bucindolol N#Cc3ccccc3OCC(O)CNC(C)(C)Cc2cnc1ccccc12 Tox21_112588_1 -NCGC00090686-07 196722014 tox21-ror-cho-viability-p1 set3 2.2 0.0769588215 30.324902972 -14.324902972 16 0.2 0.7617885556 0.0162195714 -8.60408581 -5.43717395 -1.51890756 -1.47599301 2.25053477 0.84872015 1.96417188 2.01101747 5.13140606 5.20183749 7.26442072 6.34930868 7.38209852 2.5257984 16.76403783 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00259483-01 196722021 tox21-ror-cho-viability-p1 set3 4 -14.57047719 -14.9355073 -7.42509955 -4.71772789 -8.14842503 -9.65483702 -7.47782984 -12.06108398 -6.28469296 -3.57967712 -13.28423454 -10.4909948 -8.02139236 -5.62994408 -2.38204692 1.157E-9 2.587E-9 5.784E-9 1.293E-8 2.892E-8 6.467E-8 1.446E-7 3.2329999999E-7 7.2299999999E-7 0.000001617 0.000003615 0.000008083 0.000018069999999 0.00004042 0.00009037 78-48-8 5125 144209132 A A Tribufos CCCCSP(=O)(SCCCC)SCCCC Tox21_201934 -NCGC00253720-01 196723238 tox21-ror-cho-viability-p1 set3 4 8.4126743008 -8.206908512 0 -8.206908512 4.9549173134 0.3109988928 0.3735017062 0.3782983 -5.11443347 1.22895799 -1.58434836 -2.77190783 -0.88159576 -0.43015875 2.76085572 -0.53521726 -6.26465746 3.01915297 7.83640221 -6.04201944 -7.67242376 -1.57824902 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17630-75-0 152801 170466688 A A 5-Chlorooxindole Clc1cc2CC(=O)Nc2cc1 Tox21_113839 -NCGC00015609-09 196723241 tox21-ror-cho-viability-p1 set3 4 66.8242472666 17.049056904 0.950943096 18 0.3 0.3353507985 0.3353899896 -1.05798047 3.25350204 6.98614757 -2.95754742 3.09811953 2.21570629 2.57675767 4.28684588 3.97888653 4.58343105 3.58781157 10.52032114 7.68271705 0.10582284 13.50327336 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50264-69-2 39562 170466647 A Lonidamine O=C(O)c3nn(Cc1ccc(Cl)cc1Cl)c2ccccc23 Tox21_110181_1 -NCGC00167526-02 196723244 tox21-ror-cho-viability-p1 set3 4 0.3757803576 -7.4526342759 -0.5 -7.9526342759 1.372261 0.8312919383 0.0057802134 -0.16146307 -3.05581448 0.33438992 0.44730948 -0.91863192 -0.16816724 -2.16091836 -2.38898933 -4.0559869 -5.61149469 -8.01676847 -8.40813668 -10.37719523 -4.77876777 10.2670705 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59721-29-8 5284360 170465784 A Camostat O=C(Oc1ccc(cc1)CC(=O)OCC(=O)N(C)C)c2ccc(NC(=N)N)cc2.CS(=O)(=O)O Tox21_112523_1 -NCGC00095836-05 196723245 tox21-ror-cho-viability-p1 set3 4 5.1154721 9.03812674 9.9905176 4.30604601 16.20852901 0.09937451 2.46869538 2.96350655 4.83498564 0.73711328 3.93093932 -3.26852782 4.53334173 5.16383223 9.71519118 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 489-84-9 3515 170465862 F Guaiazulene CC(C)c1ccc(C)c2ccc(C)c2c1 Tox21_111526_1 -NCGC00160483-02 196723255 tox21-ror-cho-viability-p1 set3 4 33.4914596268 -10.200806344 2 -8.200806344 4.9549173134 0.4005556473 0.2738016705 3.35655692 1.88581688 1.21441572 -0.08818655 2.14056407 -1.37682421 -1.78553326 -1.91433137 5.90575605 2.9861372 7.80749541 3.3495774 3.2813897 1.08746511 -6.41733862 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33414-30-1 969494 170466222 D Ftormetazine CN1CCN(CC1)CCC(=O)N2c4ccccc4Sc3ccc(cc23)C(F)(F)F Tox21_111845_1 -NCGC00090691-03 196723660 tox21-ror-cho-viability-p1 set3 4 29.8492948118 13.5255757439 -0.0255757439 13.5 4.5044702849 0.5161763323 0.1651203438 2.94721499 -1.97932818 -1.12862069 1.85385108 2.08056431 0.98622098 -8.77131312 -2.75592502 -0.08072941 3.1103087 2.49494448 1.41634961 -0.26402952 2.18285121 11.86608425 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69655-05-6 50599 170464863 A 2',3'-Dideoxyinosine O=C3NC=Nc2c3ncn2[C@H]1CC[C@@H](CO)O1 Tox21_111732_1 -NCGC00091146-04 196723662 tox21-ror-cho-viability-p1 set3 4 13.6854287769 -19.6350835961 -1.6748601719 -21.309943768 0.6 0.8000997073 0.0079826164 -0.14571681 -5.44590247 -2.7442447 -1.89690617 -1.20302095 -1.08431666 -4.34052052 -1.65889572 -1.19903437 -12.26667992 -7.26315256 -6.60440344 -13.6301049 -14.69165921 -16.92495314 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00091657-02 196723665 tox21-ror-cho-viability-p1 set3 4 3.0637858693 13.5823225159 -0.5823225159 13 0.7 0.8227870319 0.0047844936 -0.79574647 -0.66513511 -0.3762357 2.69455701 -0.11695577 0.15696161 -0.90193543 0.14775022 4.36255653 7.17398478 7.16328229 3.42838536 12.54708767 13.71008338 10.13674346 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00257579-01 196715512 tox21-ror-cho-viability-p1 set2 4 4.3321140059 9.8529349479 -3.8529349479 6 0.3 0.5046072256 0.1772469457 -2.52573478 -0.08799831 -8.62744579 -1.02604906 -3.1254227 1.02502204 -1.22492007 -0.01157041 -0.49021994 0.83125217 1.10738979 -0.13446518 1.59063541 1.9012833 4.65167754 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.0000036909999999 0.000008252 0.000018449999999 0.000041259999999 0.00009226 938-73-8 3282 144207223 A A 2-Ethoxybenzamide CCOc1ccccc1C(N)=O Tox21_200025 -NCGC00254920-01 196715086 tox21-ror-cho-viability-p1 set2 4 -1.17082636 -4.64819805 -0.30865553 0.87975776 -10.26023023 -13.58064369 0.00174283 -10.37915856 0.69470646 -6.87083016 -3.60879083 -3.30442938 -4.60324733 -0.51268338 1.06296163 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 532-02-5 23661868 144211335 A A Sodium 2-naphthalenesulfonate [Na+].[O-]S(=O)(=O)c1ccc2ccccc2c1 Tox21_301018 -NCGC00257670-01 196715496 tox21-ror-cho-viability-p1 set2 -1.1 0.3091848644 -87.7460380624 0.304830306 -87.4412077564 2.4063783767 0.9932477993 1E-10 2.54350905 0.16470393 1.29609419 -1.46633278 -4.91879129 -0.51747139 -11.18614351 -42.80719275 -86.00463722 -84.65750134 -86.42677445 -89.40818789 -81.14472473 -87.75263447 -87.22990996 1.189E-9 2.658E-9 5.9439999999E-9 1.3289999999E-8 2.9719999999E-8 6.6449999999E-8 1.486E-7 3.323E-7 7.4299999999E-7 0.0000016609999999 0.0000037149999999 0.000008307 0.00001857 0.00004153 0.00009287 1067-33-0 16682740 144207314 FC Dibutyltin diacetate O=C(C)O[Sn](CCCC)(OC(=O)C)CCCC Tox21_200116 -NCGC00258049-01 196715508 tox21-ror-cho-viability-p1 set2 4 4.90936577 6.5968935 -0.08917658 4.6091184 1.95032533 2.35383679 0.71357195 4.23413095 3.50777269 5.02343874 2.8460431 1.93245571 3.54031417 3.49483103 -1.53497151 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.0000082699999999 0.000018489999999 0.00004135 0.000092459999999 81-21-0 6673 144207693 A A Dicyclopentadiene dioxide O1C2CC3C(C12)C5CC3C4OC45 Tox21_200495 -NCGC00258528-01 196715513 tox21-ror-cho-viability-p1 set2 4 67.7534495245 11.6234976519 -1.6234976519 10 4.9549173134 0.8954973169 0.0004234708 -1.84743998 -0.1712153 -2.60291471 -2.17034738 -1.97528483 -1.68679118 -1.15339158 -2.00493529 -1.29497578 0.48112129 -1.66809087 -0.79598846 -1.64943556 -0.66565615 7.73649445 1.1679999999E-9 2.6109999999E-9 5.838E-9 1.305E-8 2.919E-8 6.5269999999E-8 1.4599999999E-7 3.264E-7 7.298E-7 0.0000016319999999 0.0000036489999999 0.000008159 0.000018239999999 0.000040799999999 0.00009122 610-66-2 11888 144208173 A A (2-Nitrophenyl)acetonitrile O=[N+]([O-])c1ccccc1CC#N Tox21_200975 -NCGC00258343-01 196715921 tox21-ror-cho-viability-p1 set2 -2.1 27.3337914917 -67.8117061167 1.5947776299 -66.2169284868 2.0437424601 0.9845318669 1.07E-8 2.14816636 1.72806743 -0.16877628 -0.75177788 -0.60640699 3.18589006 1.51412233 1.81254865 3.11652379 -0.4601344 2.4770417 0 -24.61925224 -43.2719448 -64.91855734 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.476E-7 3.302E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.000092279999999 6088-51-3 22463 144207987 A A 6-Hydroxy-2-naphthyl disulfide Oc1ccc2cc(ccc2c1)SSc3ccc4cc(O)ccc4c3 Tox21_200789 -NCGC00257903-01 196715922 tox21-ror-cho-viability-p1 set2 4 -0.10704255 -1.28270287 -7.61137543 -4.2659481 1.07043891 -0.99767586 -3.40286739 -3.15197553 0.355806 0.18169837 -0.73298694 0.81323811 0.92094077 1.74490415 -3.7652442 1.194E-9 2.67E-9 5.9709999999E-9 1.335E-8 2.985E-8 6.675E-8 1.493E-7 3.338E-7 7.463E-7 0.000001669 0.000003732 0.0000083439999999 0.00001866 0.00004172 0.00009329 637-92-3 12512 144207547 FNS 2-Methyl-2-ethoxypropane CC(C)(C)OCC Tox21_200349 -NCGC00258281-01 196716336 tox21-ror-cho-viability-p1 set2 1.2 22.0654597388 52.0796917492 0.606379724 52.6860714732 4.9549173134 0.9648504582 0.0000011881 1.44251939 0.85734905 0.49806724 -0.01341994 1.0631071 3.06097213 -6.16135023 0.92730613 -4.04405753 0.73722907 2.30407762 6.83404051 13.06674253 56.00778394 48.83002351 1.197E-9 2.676E-9 5.9839999999E-9 1.338E-8 2.992E-8 6.69E-8 1.496E-7 3.345E-7 7.48E-7 0.000001673 0.00000374 0.000008363 0.000018699999999 0.00004181 0.0000935 92-55-7 7097 144207925 A A 5-Nitro-2-furanmethanediol diacetate O=[N+]([O-])c1ccc(o1)C(OC(C)=O)OC(C)=O Tox21_200727 -NCGC00258724-01 196716341 tox21-ror-cho-viability-p1 set2 -3 62.4383774676 -45.372438738 1 -44.372438738 2.9522712143 0.9384332292 0.0000260266 2.40556656 1.53227866 1.28083394 0.13718804 3.47151796 -2.16764411 2.5571347 3.05806179 3.38894274 0.87600703 0.58409141 -1.66919517 -6.17708744 -7.60282393 -34.37305965 1.2009999999E-9 2.686E-9 6.005E-9 1.3429999999E-8 3.003E-8 6.714E-8 1.501E-7 3.3569999999E-7 7.506E-7 0.0000016779999999 0.000003753 0.0000083919999999 0.000018769999999 0.00004196 0.000093829999999 13010-08-7 9570281 144208370 A A N-Butyl-N'-nitro-N-nitrosoguanidine CCCCN(N=O)C(=N)N[N+]([O-])=O Tox21_201172 -NCGC00178802-06 196716751 tox21-ror-cho-viability-p1 set2 4 26.6032120037 14.0294937639 -0.0294937639 14 1.0999999999 0.8490408858 0.0023934219 -0.60460438 -0.85791147 0.16757754 0.59910945 0.31700709 -0.80792939 1.15026414 -0.14180272 0.50622881 0.42352735 -0.39710806 4.76145952 1.64869676 5.32940062 10.31372977 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 138-14-7 62881 170464752 A Deferoxamine mesylate ON(CCCCCNC(=O)CCC(=O)N(O)CCCCCN)C(=O)CCC(=O)NCCCCCN(O)C(C)=O.CS(=O)(=O)O Tox21_110741_1 -NCGC00357240-01 196703083 tox21-ror-cho-viability-p1 set1 4 -1.87704903 -2.3963833 -2.40800278 -1.8819483 0.55858151 -0.90381232 -2.9374718 -2.22245861 1.05260043 -3.19378608 -2.77041475 1.9553422 -2.42969668 0.41568132 0.64289591 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 64436-13-1 47364 251919986 A Arsenobetaine C[As+](C)(C)CC([O-])=O Tox21_304031 -NCGC00016000-13 196702659 tox21-ror-cho-viability-p1 set1 -3 78.7623658459 -62.9193837705 -13.202115563 -76.1214993335 4.9549173134 0.7822059122 0.0112779168 -12.26352923 -6.69026209 -7.61768634 -6.50975157 -10.56385751 -7.62533089 -14.69629152 -17.30989996 -21.10671396 -24.78864072 -24.18722296 -14.12055268 -15.68305381 -9.0318179 -60.41388836 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00256014-01 196728846 tox21-ror-cho-viability-p1 set3 4 0.01369554 1.98169608 -3.22101877 -6.49433455 -2.30960053 -0.0954071 0.24755836 -0.48771245 0.60928868 -2.79477197 2.06334995 0.89322255 -1.7762859 -2.71954809 -7.43827473 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14228-73-0 61718 144212026 F B 2,2'-[Cyclohexane-1,4-diylbis(methanediyloxymethanediyl)]dioxirane C2CC(COCC1CO1)CCC2COCC3CO3 Tox21_301709 -NCGC00255494-01 196728425 tox21-ror-cho-viability-p1 set3 -2.4 68.5896218971 -34.3877907759 0 -34.3877907759 3.2974983358 0.9104038832 0.0001860118 1.38716511 -4.23405113 1.36565895 -0.80539355 3.05735322 1.04417242 0.1814197 -2.08369488 1.08358998 1.77376346 0.51663985 -3.5956006 -2.34851151 -4.80082248 -25.32315898 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 31654-77-0 5365642 144212327 F Fns (9E,12Z)-9,12-Tetradecadien-1-ol acetate CC(=O)OCCCCCCCC/C=C\C\C=C\C Tox21_302010 -NCGC00255863-01 196728855 tox21-ror-cho-viability-p1 set3 4 5.88068138 -0.15762802 0.70726438 3.01672375 4.28484834 0.80868013 3.87252298 7.0967236 7.17300355 7.08754858 5.11122755 3.22754066 6.68015356 6.94690185 0.99487455 1.177E-9 2.631E-9 5.884E-9 1.316E-8 2.942E-8 6.578E-8 1.471E-7 3.289E-7 7.355E-7 0.000001645 0.0000036769999999 0.000008223 0.00001839 0.00004111 0.000091939999999 504-02-9 10434 144212475 A A 1,3-Cyclohexanedione O=C1CCCC(=O)C1 Tox21_302158 -NCGC00258680-01 196729252 tox21-ror-cho-viability-p1 set3 4 -1.01948302 1.1480356 2.41671351 0.93806436 1.37404374 0.27564693 2.14064256 -0.12392676 1.90854293 -1.99055277 1.03306977 1.50475253 -1.75412748 -0.31282081 0.75518019 1.212E-9 2.709E-9 6.0579999999E-9 1.3549999999E-8 3.029E-8 6.773E-8 1.515E-7 3.387E-7 7.5729999999E-7 0.000001693 0.000003786 0.000008467 0.00001893 0.000042329999999 0.000094659999999 103-72-0 7673 144208326 D Phenyl isothiocyanate S=C=N/c1ccccc1 Tox21_201128 -NCGC00257954-01 196729253 tox21-ror-cho-viability-p1 set3 4 1.52739424 5.97382628 -0.01312409 1.36807726 0.65424557 0.10606128 2.62237237 0.11864874 4.26608689 5.29413127 0.64942585 2.59375294 4.43943051 0.75491405 0.69158318 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008241 0.000018429999999 0.00004121 0.00009214 5989-27-5 440917 144207598 FNS D-Limonene CC1=CC[C@@H](CC1)C(C)=C Tox21_200400 -NCGC00258038-01 196729259 tox21-ror-cho-viability-p1 set3 4 0.13637575 -0.9724675 -0.68737215 -1.22319722 0.39731687 -0.86206817 -0.10640712 -1.80194847 -0.51326461 -0.61351708 -1.0964223 -0.55821316 -2.21391874 -0.22892337 -0.10548515 1.144E-9 2.5579999999E-9 5.721E-9 1.2789999999E-8 2.8599999999E-8 6.396E-8 1.4299999999E-7 3.1979999999E-7 7.1509999999E-7 0.0000015989999999 0.000003575 0.000007995 0.000017879999999 0.000039979999999 0.00008939 7791-25-5 24648 144207682 Sulfuryl chloride ClS(Cl)(=O)=O Tox21_200484 -NCGC00257996-01 196729260 tox21-ror-cho-viability-p1 set3 4 -2.94815299 -2.26843104 -3.88485217 -4.75917844 0.12675089 0.346569 -3.43510162 0.29713627 -3.3092664 -1.54449932 0.39177496 2.78512105 1.43264408 -0.72303856 0.47986029 1.158E-9 2.589E-9 5.789E-9 1.2949999999E-8 2.8949999999E-8 6.473E-8 1.447E-7 3.2359999999E-7 7.237E-7 0.000001618 0.000003618 0.000008091 0.000018089999999 0.00004046 0.000090459999999 128-39-2 31405 144207640 A A 2,6-Di-tert-butylphenol CC(C)(C)c1cccc(c1O)C(C)(C)C Tox21_200442 -NCGC00258425-01 196729273 tox21-ror-cho-viability-p1 set3 4 63.9386270414 11.2198724399 -0.7198724399 10.5 2.9522712143 0.5849858416 0.1102523757 -2.93460525 -1.42412707 1.03291645 -3.0998937 0.0622731 -2.01149027 -2.72713044 1.27458605 -1.78399303 3.61643841 0.67898463 0.2112236 0.26939878 1.73293243 7.74384274 1.2249999999E-9 2.7399999999E-9 6.1269999999E-9 1.37E-8 3.063E-8 6.85E-8 1.532E-7 3.425E-7 7.658E-7 0.0000017119999999 0.000003829 0.0000085619999999 0.000019149999999 0.00004281 0.000095729999999 930-22-3 13586 144208069 FNS 1,2-Epoxy-3-butene C=CC1CO1 Tox21_200871 -NCGC00258510-01 196729672 tox21-ror-cho-viability-p1 set3 4 0.03952217 -0.3130968 -4.28300491 -1.76925521 1.93993485 0 -12.57520987 -3.64963589 0 0 0 0 -7.45846969 -7.27859691 -2.18640821 1.221E-9 2.7309999999E-9 6.107E-9 1.366E-8 3.054E-8 6.8279999999E-8 1.5269999999E-7 3.4139999999E-7 7.634E-7 0.000001707 0.000003817 0.000008535 0.00001909 0.00004268 0.00009543 107-14-2 7856 144208155 A Bc Chloroacetonitrile ClCC#N Tox21_200957 -NCGC00258163-01 196729678 tox21-ror-cho-viability-p1 set3 4 8.20741702 0.45740206 6.77839945 2.35658482 6.30633402 5.30610236 0.78328187 1.04935444 1.19502226 -0.54660842 1.36837506 -0.91720834 1.250859 3.03592748 5.62459186 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041219999999 0.00009218 186088-50-6 2734176 144207807 A A 1-Butylpyridinium hexafluorophosphate F[P-](F)(F)(F)(F)F.CCCC[n+]1ccccc1 Tox21_200609 -NCGC00256154-01 196728082 tox21-ror-cho-viability-p1 set3 4 5.4601570908 -6.1432699 2 -4.1432699 4.0949729863 0.6022580569 0.1114955972 2.01633809 0.67737798 -0.38415177 1.45426456 -0.66331638 -0.09999275 3.16326465 5.79879823 2.47112605 4.0030517 1.09851503 -2.56961284 -5.53605825 -2.38576743 5.12820459 1.074E-9 2.4019999999E-9 5.371E-9 1.201E-8 2.685E-8 6.005E-8 1.343E-7 3.002E-7 6.7129999999E-7 0.000001501 0.000003357 0.000007506 0.00001678 0.00003753 0.00008392 120-18-3 8420 144211974 A A Naphthalene-2-sulfonic acid O=S(=O)(O)c1ccc2ccccc2c1 Tox21_301657 -NCGC00256992-01 196727667 tox21-ror-cho-viability-p1 set3 4 0.0017228934 10.626631052 -10.626631052 0 1.372261 0.515158074 0.1686722385 -7.18885921 -2.11276417 -3.6244356 0 0 -0.2231192 0 -0.16253272 0 0 0 2.16626394 -4.94783023 -0.47156546 3.37636103 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 993-16-8 101940 144213490 Ac Trichloromethylstannane C[Sn](Cl)(Cl)Cl Tox21_303173 -NCGC00257500-01 196727668 tox21-ror-cho-viability-p1 set3 -3 68.3107079272 -108.6858949436 0.613261019 -108.0726339246 4.9549173134 0.9809579858 3.57E-8 3.14425783 6.00345979 2.20439217 2.66087096 -0.08104715 2.52264442 -3.34088208 -2.80579094 -1.27487347 -1.65520085 -3.02692637 -3.728521 5.12910044 -5.44690798 -87.86393002 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.315E-8 2.94E-8 6.573E-8 1.4699999999E-7 3.2869999999E-7 7.3489999999E-7 0.000001643 0.0000036749999999 0.000008217 0.00001837 0.00004108 0.00009187 24169-02-6 68589 144213703 A A Econazole nitrate [O-][N+](=O)O.Clc3ccc(C(OCc1ccc(Cl)cc1)Cn2ccnc2)c(Cl)c3 Tox21_303391 -NCGC00253954-01 196699141 tox21-ror-cho-viability-p1 set1 4 0.28963295 -0.65206326 -4.1530346 -2.40426273 0.46847028 -1.9230481 -2.70090258 -0.36088978 0.98084518 -0.06092064 0.72697005 -1.23831473 0.07830268 -0.92407474 1.55454052 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-01-1 7362 144210490 AC Ac Furfural O=Cc1ccco1 Tox21_300170 -NCGC00254752-01 196698735 tox21-ror-cho-viability-p1 set1 4 -4.1204496 -6.40377231 -6.37595872 -2.51176429 0.47772878 -0.13879333 0.37221593 1.00155409 -2.90643579 0.11351661 0.40670643 0.62995326 1.25081362 -0.39772373 3.40886399 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123343-16-8 23682187 144211166 A A Pyrithiobac-sodium [Na+].[O-]C(=O)c2c(Sc1nc(cc(OC)n1)OC)cccc2Cl Tox21_300849 -NCGC00254311-01 196698737 tox21-ror-cho-viability-p1 set1 4 -2.52413462 -2.18446715 -1.15727094 -1.59156811 -3.36353973 0.95424398 -1.40717798 -4.51088031 0.46045688 -6.39171033 0.41153744 8.55638737 -11.23985986 -2.02986484 -2.53256067 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47305 9828356 144210783 FNS CP-608039 Cc5cc(COc4ccc(Cl)cc4CNc3ncnc2c3ncn2[C@@H]1O[C@H](C(=O)NC)[C@@H](N)[C@H]1O)on5 Tox21_300465 -NCGC00254119-01 196698738 tox21-ror-cho-viability-p1 set1 4 -0.8372638 2.15515253 3.51116433 -0.47850889 -0.94586886 1.10716617 -0.80607051 2.33576766 2.70001509 9.60786259 -0.67123447 -0.84514843 4.37612611 3.39266831 3.03785703 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-22-5 7047 144210388 A Ac Quinoline c1cccc2cccnc12 Tox21_300068 -NCGC00254667-01 196699143 tox21-ror-cho-viability-p1 set1 4 0.09210634 4.62046084 0.94857771 0.67320787 6.03925464 1.53110497 -0.5940674 -1.18442843 -0.41823811 0.8408767 7.58556992 2.53516947 12.31122823 2.16514127 0.06962311 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57754-85-5 162839 144211080 A A Clopyralid-olamine Clc1ccc(Cl)nc1C(=O)O.NCCO Tox21_300763 -NCGC00254709-01 196699148 tox21-ror-cho-viability-p1 set1 -2.1 54.4826732819 -96.4056978446 -1.550699569 -97.9563974136 1.6604358099 0.9487138631 0.0000096545 -0.73847647 0.15390144 1.29760371 -1.13651445 0.54679103 -0.16293213 -0.46793352 -0.22934841 1.22361594 -0.58382967 -8.75734461 -15.96366879 -16.84432933 -29.50807638 -74.20939198 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2312-35-8 4936 144211122 I I Propargite CC(C)(C)c1ccc(cc1)OC2CCCCC2OS(=O)OCC#C Tox21_300805 -NCGC00253966-01 196699152 tox21-ror-cho-viability-p1 set1 4 1.15350267 0.5096839 0.18287176 -0.66939468 1.23086798 1.28440404 -0.74301872 0.83354885 -0.17383867 3.21867895 -0.919877 1.42767631 -5.04437697 0.42760499 1.24542374 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-11-2 7910 144210403 A Ac 4-Methyl-2-pentanol CC(C)CC(C)O Tox21_300083 -NCGC00254210-01 196699157 tox21-ror-cho-viability-p1 set1 -2.2 54.2357316444 -60.1027823778 -2.132209197 -62.2349915748 2.5334283767 0.9910800735 4E-10 -0.37948828 -3.03835587 -3.88467759 -3.61304265 -3.59388975 -2.53322144 -0.7916133 -1.5065398 -3.25727505 -0.88977914 -2.5559671 -1.38554301 -4.90539515 -18.48283986 -47.14772089 1.0679999999E-9 2.3869999999E-9 5.3379999999E-9 1.1939999999E-8 2.6689999999E-8 5.9679999999E-8 1.335E-7 2.9839999999E-7 6.6729999999E-7 0.0000014919999999 0.000003336 0.00000746 0.00001668 0.0000373 0.000083409999999 NOCAS_47342 60196403 144210550 A A SR125047 Cl.COc1cccc(c1)c2ccc(cc2Cl)/C=C\CN3CCCCCC3 Tox21_300230 -NCGC00254442-01 196699555 tox21-ror-cho-viability-p1 set1 -1.2 7.6958821542 -25.7620063999 -1 -26.7620063999 3.5117481694 0.9652775569 0.0000011116 1.61846062 -1.0613944 -0.72015602 -0.81159699 -2.63919231 -2.74532532 0.29226944 -0.58432656 -0.16280275 -1.22241228 -2.92418828 -13.40863861 -31.051672 -24.59331594 -24.69232144 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-85-7 6950 144210739 A A Dinoseb O=[N+]([O-])c1cc(cc(C(C)CC)c1O)[N+]([O-])=O Tox21_300421 -NCGC00090698-04 196724095 tox21-ror-cho-viability-p1 set3 4 0.3063785869 -6.642596804 2 -4.642596804 2.9522712143 0.4795671734 0.2145757292 -3.6092478 -2.07035849 2.14280242 2.29915827 5.81916343 9.99672536 -1.41120503 -0.71677008 -5.3776764 -4.46391611 -5.30545001 -4.51214229 -7.61883067 -1.36695601 0.7929038 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00253641-01 196723675 tox21-ror-cho-viability-p1 set3 -1.1 2.3710137656 -54.8843824521 -0.109673024 -54.9940554761 3.5117481694 0.9452890002 0.0000322315 0.52952969 0.12594608 -0.81362832 1.51900917 -0.64867284 0.08759228 2.60988663 6.88687193 -2.97035645 -10.80680463 -14.86102799 -49.29533325 -64.20985831 -44.29470368 -12.00050067 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 141505-33-1 3033825 170466129 A A Levosimendan N#C/C(C#N)=N\Nc1ccc(cc1)C2=NNC(=O)C[C@H]2C Tox21_113768 -NCGC00357241-01 196724072 tox21-ror-cho-viability-p1 set3 4 -8.79738464 3.65433403 -4.47075894 -9.11117144 -6.02176313 2.15453408 0.11297595 -3.72757676 -2.9124275 1.11642853 -5.06771328 -0.31650695 0.07330755 -3.35017377 1.96974964 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15059-52-6 71311204 251919873 Dysprosium(III) chloride hexahydrate O.O.O.O.O.O.Cl[Dy](Cl)Cl Tox21_304034 -NCGC00357159-01 196724093 tox21-ror-cho-viability-p1 set3 4 -2.14599642 0.23388557 0.28263351 3.0283185 -5.80375273 -1.85251818 -4.8733826 -3.54120123 -3.02291794 -2.17193111 -0.6509519 -4.26384616 -0.67348171 -1.32533582 -2.68574511 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6117-91-5 20024 251919917 A But-2-en-1-ol CC=CCO Tox21_303907 -NCGC00258292-01 196730412 tox21-ror-cho-viability-p1 set3 4 0.58701992 4.55498792 2.70977887 -0.09209808 0.52707025 3.84339486 4.51019948 0.39409953 3.19141113 3.72923517 1.46326197 2.10458804 1.28442523 2.50513986 0.74833271 1.1509999999E-9 2.5739999999E-9 5.7549999999E-9 1.2869999999E-8 2.877E-8 6.4339999999E-8 1.4389999999E-7 3.217E-7 7.194E-7 0.000001609 0.0000035969999999 0.0000080429999999 0.00001798 0.000040209999999 0.000089919999999 2210-25-5 16637 144207936 A A N-Isopropylacrylamide CC(C)NC(=O)C=C Tox21_200738 -NCGC00167531-02 196717573 tox21-ror-cho-viability-p1 set2 4 33.4914596268 17.065303232 0.934696768 18 4.9549173134 0.6489917494 0.0651224186 0.92819199 -0.77432826 -0.46993644 2.67262021 2.34106322 -1.16661358 6.15162981 7.7499173 -1.07016432 2.17227762 -0.77257351 -1.30441936 -0.09391702 1.08731058 15.72796432 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 129101-54-8 77990 170464721 A Rivastigmine tartrate O=C(Oc1cc(ccc1)[C@H](C)N(C)C)N(C)CC.O=C(O)[C@@H](O)[C@H](O)C(=O)O Tox21_112528_1 -NCGC00090757-06 196717162 tox21-ror-cho-viability-p1 set2 -2.1 21.1316824289 -82.5772066305 -2.825478027 -85.4026846575 1.6266150999 0.9796755494 5.21E-8 -0.51884456 -4.44273728 0.73118923 -2.90658538 -3.62992316 -3.69035606 -1.42888803 0.90426159 -1.26989018 -9.7866253 -4.55472641 -12.05871402 -17.4679997 -43.94162694 -67.35051868 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 148-82-3 460612 170464727 A Melphalan O=C(O)[C@@H](N)Cc1ccc(cc1)N(CCCl)CCCl Tox21_111010_1 -NCGC00015417-04 196717165 tox21-ror-cho-viability-p1 set2 4 -2.79371724 1.64801649 -3.64091784 -3.35237508 -4.49819833 -0.32453963 -2.64603552 -0.27816008 -2.61227577 -1.73893073 1.25064791 0.24144368 -4.23704533 -4.4698356 -0.63067966 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 329-63-5 441411 170464974 Z A (R,S)-Epinephrine hydrochloride Cl.Oc1ccc(cc1O)[C@@H](O)CNC Tox21_113650 -NCGC00160387-04 196717170 tox21-ror-cho-viability-p1 set2 4 -2.81961856 -1.11621176 -1.15490651 -3.5476295 0.59470594 -6.19302247 1.21114635 2.25324366 3.08124815 0.05497065 2.11289408 -3.03896616 -1.89638605 -1.44894694 -3.94452961 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2058-52-8 16351 170465938 A Clothiapine CN1CCN(CC1)C3=Nc4ccccc4Sc2ccc(Cl)cc23 Tox21_111779_1 -NCGC00253640-01 196717581 tox21-ror-cho-viability-p1 set2 4 1.28539 -1.07686795 0.10686888 -0.57748031 2.82508678 5.03843911 0.48845984 2.78329817 1.73120048 1.16762545 1.94375678 1.60027654 0.54593163 -0.9464096 0.12455129 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4965-33-7 138395 170466759 A A 7-Chloro-2-methylquinoline Clc1cc2nc(C)ccc2cc1 Tox21_113767 -NCGC00183270-01 196717591 tox21-ror-cho-viability-p1 set2 4 0.89190634 0.61656148 -0.53735816 1.35618051 1.95866912 0.77787618 3.14293016 2.97348493 -0.44157307 0.28871405 2.9956229 2.10969967 0.8420639 0.5889437 3.45412634 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62476-59-9 44072 144206456 A A Acifluorfen-sodium [Na+].Clc2cc(ccc2Oc1cc(C([O-])=O)c(cc1)[N+]([O-])=O)C(F)(F)F Tox21_112903 -NCGC00253617-01 196717598 tox21-ror-cho-viability-p1 set2 4 0.1883363179 5.1936353519 -2.6936353519 2.5 4.9549173134 0.3771957227 0.2953955815 0.5040802 -1.27303912 -0.04392737 -0.31455354 -2.78631912 -13.07802946 -1.30229066 -1.14109077 2.82136478 2.70268882 1.28364592 2.00137603 3.83789537 0.42807637 3.15675264 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5006-66-6 72924 170466773 Ac Ac 6-Hydroxynicotinic acid OC(=O)c1cnc(O)cc1 Tox21_113747 -NCGC00258512-01 196730090 tox21-ror-cho-viability-p1 set3 4 -1.42341462 -19.21629241 -22.47842034 -16.51353476 -9.1193017 -25.6817392 -25.88402575 -7.12976243 -2.64542562 0 -2.16252358 -6.06015226 -12.37421572 -13.01958881 -14.58964473 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 90-41-5 7015 144208157 A A 2-Biphenylamine Nc2ccccc2c1ccccc1 Tox21_200959 -NCGC00258121-01 196729685 tox21-ror-cho-viability-p1 set3 4 0.38115707 -0.59517184 -0.48816554 4.66971556 0.82401382 2.27007153 -0.34510945 -1.04728082 -0.93229908 -0.4799052 0.51244438 0.28513806 1.45680018 -0.78486726 0.63501175 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3079999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.000008269 0.000018489999999 0.00004135 0.00009245 2531-84-2 17321 144207765 A A 2-Methylphenanthrene Cc1cc2ccc3ccccc3c2cc1 Tox21_200567 -NCGC00258001-01 196729687 tox21-ror-cho-viability-p1 set3 4 1.9227766 0.12656643 0.19029357 -0.3071361 -0.66257757 2.52176281 1.1016854 2.16981403 -0.32514488 3.42623373 -0.75325708 2.11453459 0.38917804 0.37978001 -0.9506975 1.2009999999E-9 2.686E-9 6.007E-9 1.3429999999E-8 3.0039999999E-8 6.716E-8 1.5019999999E-7 3.358E-7 7.509E-7 0.000001679 0.000003754 0.0000083949999999 0.000018769999999 0.000041979999999 0.00009386 547-64-8 11040 144207645 A A Methyl 2-hydroxypropanoate CC(O)C(=O)OC Tox21_200447 -NCGC00257999-01 196729691 tox21-ror-cho-viability-p1 set3 4 4.11987387 -2.60410581 0.01231825 4.18804775 -0.17600489 1.45508082 -1.49824266 0.85267839 -0.30935264 2.17626741 3.84872901 0.67569983 1.17176499 0.95487071 0.5142978 1.188E-9 2.657E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016599999999 0.000003713 0.000008302 0.00001856 0.000041509999999 0.00009282 502-44-3 10401 144207643 D 2-Oxepanone O=C1CCCCCO1 Tox21_200445 -NCGC00090942-03 196730103 tox21-ror-cho-viability-p1 set3 -3 61.130564862 -86.8598297035 3.8650696604 -82.9947600431 4.9549173134 0.9807412557 3.82E-8 0.07768808 2.19373493 6.54519939 7.46308862 2.2349355 1.7050903 6.20726527 9.68689247 2.38342337 2.39628119 1.16122749 7.21603647 2.35447178 -7.33952915 -73.01171432 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00258236-01 196730104 tox21-ror-cho-viability-p1 set3 -1.2 0.8652487328 -17.9795201119 -0.5 -18.4795201119 1.92824246 0.69633847 0.0396901435 -1.51110876 1.75097886 -6.74082037 0.71750333 1.373699 0.11820163 -0.60984972 -0.11449052 -12.27512993 -9.29314526 -21.80857398 -19.45167673 -10.281835 -10.90682063 -32.06626676 1.182E-9 2.6429999999E-9 5.9109999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.304E-7 7.3889999999E-7 0.0000016519999999 0.0000036939999999 0.000008261 0.000018469999999 0.000041299999999 0.000092359999999 87-29-6 6881 144207880 A A Cinnamyl anthranilate Nc2ccccc2C(=O)OCC=Cc1ccccc1 Tox21_200682 -NCGC00258223-01 196730106 tox21-ror-cho-viability-p1 set3 4 -22.90646933 -2.18795227 -17.81145146 0 -0.19935509 0 -1.21007942 -0.80913874 -18.82017804 0 -2.34911495 -20.28132713 -4.72474277 -3.43337829 -0.73364772 1.175E-9 2.628E-9 5.875E-9 1.314E-8 2.938E-8 6.569E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.00004106 0.0000918 112-57-2 8197 144207867 Tetraethylenepentamine NCCNCCNCCNCCN Tox21_200669 -NCGC00091086-02 196730509 tox21-ror-cho-viability-p1 set3 4 -6.20361031 -5.50685977 -2.03835643 -2.87518386 -3.99394356 -3.75756639 -20.1268506 -11.92525091 -20.56339247 -4.76217221 -5.14531366 0 -10.99957748 -8.78763904 -4.41950591 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00257823-01 196730516 tox21-ror-cho-viability-p1 set3 4 -0.17191545 -0.29355035 1.68665896 1.08099042 -0.38931332 -1.07585341 -14.64646602 -3.91178146 -3.36204324 0 -26.63795862 -0.4182851 -5.2292623 2.63229863 5.37416396 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.0000016719999999 0.0000037379999999 0.000008358 0.00001869 0.00004179 0.00009344 102-08-9 700999 144207467 A A Thiocarbanilide S=C(Nc1ccccc1)Nc2ccccc2 Tox21_200269 -NCGC00254128-01 196699564 tox21-ror-cho-viability-p1 set1 4 0.0017228934 9.171460512 -9.171460512 0 4.0949729863 0.5132961542 0.1702223726 -7.64288376 -1.49909604 -1.30152206 -3.4632921 -0.12261974 0 -3.30528312 0.33284286 0.83457717 0.3246116 0.82718752 -3.16909469 2.36226775 1.55862564 2.3402049 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3033-77-0 18205 144210496 B N,N,N-Trimethyl(oxiran-2-yl)methanaminium chloride [Cl-].C[N+](C)(C)CC1CO1 Tox21_300176 -NCGC00255911-01 196701192 tox21-ror-cho-viability-p1 set1 4 0.1368542878 4.234173996 -2.234173996 2 4.9549173134 0.4703222296 0.2088335112 -0.44206121 -0.72828111 -4.77847833 -0.36672078 -2.83264453 -3.76485465 0.4117948 5.32454038 0.50763448 -0.74663579 3.48501424 0.73705114 -0.12208592 5.31188928 0.28458046 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 451-40-1 9948 144212476 A A 1,2-Diphenylethanone O=C(Cc1ccccc1)c2ccccc2 Tox21_302159 -NCGC00254326-01 196699570 tox21-ror-cho-viability-p1 set1 4 -0.01213941 -0.13331594 -3.75555122 -2.49601284 -5.66946462 3.62326806 2.29205102 -3.02517933 -6.05117018 -4.97443142 -3.952153 -4.78266378 0.55569658 -2.67220359 -0.71486949 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25498-49-1 25054 144210688 A A Tripropylene glycol monomethyl ether COC(C)COC(C)COC(C)CO Tox21_300370 -NCGC00254059-01 196699556 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -15.4934726919 -0.5 -15.9934726919 4.9549173134 0.6488873142 0.0653526673 0.52400436 -0.96466147 1.14642919 0.16195831 -0.95582546 -0.87938563 -0.71718348 -0.19796091 1.74534824 1.64724236 -0.01627454 2.01075959 -8.41440685 -0.60693253 -13.32789391 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 842-07-9 5858445 144210617 A A C.I. Solvent Yellow 14 Oc3ccc1ccccc1c3/N=N/c2ccccc2 Tox21_300297 -NCGC00254647-01 196699566 tox21-ror-cho-viability-p1 set1 4 0.39082068 -0.91363734 0.35328712 -2.08193413 0.07638246 -1.6003279 0.47774987 -1.48140451 0.96297746 1.26275834 0.22986379 -0.54995113 8.48004816 -2.55290865 1.35571414 1.452E-9 3.246E-9 7.2579999999E-9 1.623E-8 3.629E-8 8.115E-8 1.8149999999E-7 4.057E-7 9.073E-7 0.000002029 0.0000045359999999 0.00001014 0.00002268 0.000050719999999 0.0001134 100-48-1 7506 144211058 AC Ac 4-Pyridinecarbonitrile N#Cc1ccncc1 Tox21_300741 -NCGC00091088-05 196699970 tox21-ror-cho-viability-p1 set1 4 0.7695882154 -7.7146621079 -0.5 -8.2146621079 4.9549173134 0.419509513 0.2702950446 -2.59098824 0.2207127 -0.97711175 -2.06000999 2.39796596 -0.09167407 -1.52184692 2.40880434 -3.7381854 -13.84766176 0.50878155 -13.92888509 -0.12036134 -13.19502187 -3.45950509 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00255053-01 196699980 tox21-ror-cho-viability-p1 set1 4 -3.69792805 -3.15494045 -3.99433425 0.28789422 0.03051963 -3.83896102 0.00462764 -3.35647907 0.31926048 -5.53867849 -6.91559384 0.59937199 -4.00066476 -3.41003232 -3.91768793 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 28249-77-6 34192 144211472 A A Thiobencarb Clc1ccc(CSC(=O)N(CC)CC)cc1 Tox21_301155 -NCGC00091426-02 196699995 tox21-ror-cho-viability-p1 set1 -2.4 61.130564862 -35.469039128 1.5 -33.969039128 2.5884283767 0.7653115652 0.0152457924 4.51180403 5.54756109 2.57059346 2.37913805 -3.3118132 1.01289515 5.77560839 -4.78737774 4.43063024 -4.51413029 4.53914477 3.30934712 -5.94858912 -5.07368056 -25.39086594 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00255530-01 196700386 tox21-ror-cho-viability-p1 set1 -2.2 27.3060203028 -35.2632980439 0 -35.2632980439 0.9999999999 0.9404167518 0.0000218354 1.26607241 0.64187421 -0.2320759 1.26815873 0.8141783 -1.38342682 -0.77145576 0.91529153 0.11326528 -6.03080441 -5.82411624 -5.19285799 -16.17560873 -17.15425854 -31.05274837 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 633-96-5 44135675 144212405 A C.I. Acid Orange 7 [Na+].O=S([O-])(=O)c3ccc(/N=N/c1c2ccccc2ccc1O)cc3 Tox21_302088 -NCGC00163930-04 196700401 tox21-ror-cho-viability-p1 set1 4 -1.02928531 -1.30628984 2.78015403 3.56149242 -0.29488221 2.59857351 3.82503769 1.1621225 2.02058945 3.45690996 -1.45771456 1.96446487 -0.09201637 2.31132444 1.43730455 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00255987-01 196700404 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -13.501949408 0 -13.501949408 4.9549173134 0.8471917635 0.0025328067 1.36945938 0.76537107 0.9467471 -1.07798091 -1.35949657 -1.65468027 1.34772894 0.47445709 -1.27595861 1.51245473 -2.04682448 -0.39537284 0.07671116 -0.89303908 -10.83495784 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23089-26-1 442343 144211692 C A Levomenol CC1=CC[C@H](CC1)[C@](O)(C)CC\C=C(/C)C Tox21_301375 -NCGC00255477-01 196700805 tox21-ror-cho-viability-p1 set1 4 -10.62270382 0.38751807 -8.54191835 0.39432658 -7.43378071 -9.30604332 -6.60484698 -10.68350747 -12.68400984 -3.13891493 -4.1284492 -12.11772264 -6.28722556 -12.17620936 -14.04755314 1.121E-9 2.506E-9 5.6039999999E-9 1.2529999999E-8 2.802E-8 6.265E-8 1.401E-7 3.133E-7 7.005E-7 0.000001566 0.0000035019999999 0.000007831 0.00001751 0.00003916 0.00008756 15165-79-4 23700091 144211663 A A Potassium 1-naphthaleneacetate [K+].[O-]C(=O)Cc2cccc1ccccc12 Tox21_301346 -NCGC00256593-01 196719244 tox21-ror-cho-viability-p1 set2 4 -0.11277024 -0.5663503 0.08373276 -0.60394481 2.68297914 -0.77993335 2.6829302 3.41608356 3.00413417 -0.31730625 6.14217438 3.54899339 2.16832428 6.48964176 5.41593307 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-83-8 6501 144213277 I I Ethyl methylphenylglycidate CCOC(=O)C2OC2(C)c1ccccc1 Tox21_302960 -NCGC00256434-01 196719246 tox21-ror-cho-viability-p1 set2 4 0.86085308 1.29553051 0.45262477 0 0.55284589 -6.66422323 1.03397204 -5.03404907 6.20144431 -0.89811234 -0.28184775 -0.09227325 1.87135706 0.16262415 -0.43328971 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-93-0 7966 144213120 F F Cyclohexanol OC1CCCCC1 Tox21_302803 -NCGC00256345-01 196719247 tox21-ror-cho-viability-p1 set2 4 76.9588215421 11.5183281399 -3.5183281399 8 4.9549173134 0.4198961682 0.2551611889 -4.02935296 -7.50428125 -1.13253089 -1.87453314 -8.76527345 -0.80254702 -1.67356511 -3.53121223 -4.78395434 -1.06566845 -1.92343527 -5.59634519 0.62797204 -5.11147165 5.53075699 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 62-44-2 4754 144213212 A A Phenacetin CCOc1ccc(cc1)NC(C)=O Tox21_302895 -NCGC00256607-01 196719251 tox21-ror-cho-viability-p1 set2 4 -0.16928241 -0.11098972 -0.42491151 -1.44798644 0.21640878 6.77827585 -0.00184814 -0.81678416 4.70969479 4.23159813 -0.38224575 -0.42171389 -0.11464938 -0.77804724 1.17650388 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 106-93-4 7839 144213196 FC 1,2-Dibromoethane BrCCBr Tox21_302879 -NCGC00254594-01 196719971 tox21-ror-cho-viability-p1 set3 4 -9.36190581 -16.07877209 -4.89083788 -2.52111355 -9.66187461 -4.51534972 -3.08850726 -2.68156564 -0.11455393 -2.24377465 -3.29126229 -2.54521136 -3.98722846 -8.27365224 -12.90241074 1.3789999999E-9 3.082E-9 6.8929999999E-9 1.541E-8 3.446E-8 7.706E-8 1.723E-7 3.8529999999E-7 8.616E-7 0.000001927 0.0000043079999999 0.0000096329999999 0.000021539999999 0.000048159999999 0.0001077 120-46-7 8433 144211003 Ac Ac 1,3-Diphenyl-1,3-propanedione O=C(CC(=O)c1ccccc1)c2ccccc2 Tox21_300686 -NCGC00160679-02 196698310 tox21-ror-cho-viability-p1 set1 4 -1.1956028 -0.91379456 1.42265636 -8.19580043 1.41223895 -1.53806103 1.34220042 -1.0322746 1.53380293 -5.59079989 -3.57900159 0.93654282 -2.57936169 0.27523325 -4.60725239 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 96-62-8 14895 170466608 A Dinsed O=S(=O)(NCCNS(=O)(=O)c1cc(ccc1)[N+]([O-])=O)c2cc(ccc2)[N+]([O-])=O Tox21_111982_1 -NCGC00166310-02 196698316 tox21-ror-cho-viability-p1 set1 4 0.72922175 5.70733008 -3.61002478 0.7696947 0.78299598 0.26894309 0.83848322 0.3696116 1.80924817 0.63082165 0.66942782 4.71542104 1.65177471 2.98310277 0.2831714 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 115550-35-1 60651 170465732 A Marbofloxacin CN1CCN(CC1)c4c(F)cc2c3N(C=C(C2=O)C(=O)O)N(C)COc34 Tox21_112406_1 -NCGC00254209-01 196719559 tox21-ror-cho-viability-p1 set3 -2.1 35.570552834 -140.350485563 5.2051991331 -135.1452864299 2.4063783767 0.9264036312 0.0000667762 4.73867859 3.04472738 0.87534428 1.8889222 -4.76824894 -0.98441196 8.75930105 -1.19931758 -6.2999284 15.21051708 14.71021184 4.02402805 9.2407621 -87.95768477 -114.91946125 1.103E-9 2.466E-9 5.515E-9 1.233E-8 2.758E-8 6.166E-8 1.3789999999E-7 3.083E-7 6.894E-7 0.000001542 0.0000034469999999 0.000007708 0.000017239999999 0.00003854 0.00008618 180084-01-9 10483134 144210532 A A SB236057A Cl.Cc1nnc(o1)c2cc(C)c(cc2)c3ccc(cc3)C(=O)N6CCc5cc7OCC4(CCN(CC)CC4)c7cc56 Tox21_300212 -NCGC00254160-01 196719571 tox21-ror-cho-viability-p1 set3 4 0.1722893406 -21.5 20 -1.5 0.1 0.3247289625 0.3623650673 14.54842515 9.04715807 15.42899183 8.71361421 10.69830443 7.66384679 7.66792277 8.44944388 9.38740504 8.6259166 9.07074431 0.74086054 8.9182763 9.03015623 7.84308602 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-42-2 6537 144210640 A Fc Tris(2-ethylhexyl) phosphate CCCCC(COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC)CC Tox21_300321 -NCGC00254231-01 196719968 tox21-ror-cho-viability-p1 set3 4 0.7304823503 -10.44343336 12.5 2.05656664 4.4494702849 0.3960655837 0.2754410202 6.51974634 3.8055133 10.40178236 8.94544353 6.41131865 10.88230398 17.81892217 18.78386505 21.82662952 17.59936591 3.92917941 -4.1195278 9.40571594 4.41516029 -0.54941155 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 344930-95-6 9872438 144210567 A A SSR69071 CC(C)c1cc(cc5c1C(=O)N(COC3=CC(=O)N4C=CC=C(OCCN2CCCCC2)C4=N3)S5(=O)=O)OC Tox21_300247 -NCGC00091586-02 196719972 tox21-ror-cho-viability-p1 set3 4 -1.20470629 1.77055171 8.61385477 1.6759174 5.30949826 1.59794253 -3.07242994 10.12589307 8.34866214 3.92657162 -1.07961743 6.49619873 0.68125158 2.7597237 -3.36750675 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00254475-01 196719976 tox21-ror-cho-viability-p1 set3 4 -2.06397526 12.43588776 7.13935517 12.63429812 4.88273452 1.93889184 10.33196853 11.42971911 2.3645155 11.51701238 -0.58812848 13.19734494 8.0941936 8.89039424 2.61507794 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 35256-85-0 92299 144210794 A A Butam CC(C)(C)C(=O)N(Cc1ccccc1)C(C)C Tox21_300476 -NCGC00255041-01 196719979 tox21-ror-cho-viability-p1 set3 4 0.9678689692 -10.6759769841 11 0.3240230159 0.9999999999 0.4363874648 0.2371399719 16.51556787 13.33674604 1.50132522 5.31299415 18.44776975 4.40087406 14.55692086 7.21013995 10.83557308 -2.22998082 1.98894601 4.34526039 2.23926684 0.29289016 -1.46259372 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 120-36-5 8427 144211460 Ac Fc Dichlorprop Clc1cc(Cl)ccc1OC(C)C(=O)O Tox21_301143 -NCGC00091253-05 196720381 tox21-ror-cho-viability-p1 set3 4 -44.67646573 -6.4126004 4.23334446 0.7507103 -0.36244042 -3.86503105 2.12049474 -7.78069632 9.96161766 -5.58498572 4.90154206 -1.64932374 -6.00260406 0.80502707 4.58270854 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00254856-01 196720387 tox21-ror-cho-viability-p1 set3 4 0.002730602 21.580993128 -25.376130632 -3.795137504 0.4 0.586794788 0.1070681054 -14.38968281 -19.48010886 -10.52673492 -10.373587 -8.98549864 -12.01979774 -5.60081032 -9.13468477 -2.78124315 -5.55463786 -1.49594792 -4.77969839 -5.56913128 -2.97877516 -11.80277735 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1852-04-6 15816 144211271 A A Undecanedioic acid O=C(O)CCCCCCCCCC(=O)O Tox21_300954 -NCGC00254961-01 196720389 tox21-ror-cho-viability-p1 set3 4 38.5707788719 9.322886116 -4.322886116 5 0.8999999999 0.3157594342 0.3547804666 0.24752417 -9.43573843 -5.00226716 -6.55433904 -1.9685865 -0.12162455 -7.9017106 -5.05790007 -6.16163475 2.4171627 -4.00310558 -3.21790098 -2.25573756 0.67444599 3.06452753 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98886-44-3 91758 144211376 A A Fosthiazate CC(CC)SP(=O)(OCC)N1CCSC1=O Tox21_301059 -NCGC00090686-07 196707401 tox21-ror-cho-viability-p1 set1 4 0.0017228934 -17.2239846039 7 -10.2239846039 4.9549173134 0.5238269019 0.1578952748 4.80140086 -9.04780521 -11.11677375 -13.01815326 -0.89229589 -7.40317796 -14.76998717 -12.17892774 -13.18243644 -10.37607002 -14.15656517 -8.56082722 -13.39118345 -5.43741983 -8.59030997 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00256902-01 196707385 tox21-ror-cho-viability-p1 set1 4 -1.76537028 -2.20641137 4.49731039 2.08183172 3.05982173 3.39345205 -1.1208996 -1.23077995 3.53940223 4.71808728 0.48685744 3.73645147 0.17100393 -2.22983122 4.30190916 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 2270-60-2 61290 144212966 Ac F Methyl citronellate O=C(CC(C)CC\C=C(/C)C)OC Tox21_302649 -NCGC00257432-01 196707390 tox21-ror-cho-viability-p1 set1 4 1.82550988 -0.1931025 -0.07393036 1.75763858 2.62130227 2.10476662 2.51438562 8.01936054 -0.43871944 0.47121878 3.12722757 9.1687057 1.49164955 -0.27100059 8.21754008 1.062E-9 2.374E-9 5.309E-9 1.187E-8 2.654E-8 5.935E-8 1.327E-7 2.968E-7 6.636E-7 0.000001484 0.000003318 0.000007419 0.00001659 0.0000371 0.00008295 1191914-21-2 44555481 144213764 A A PharmaGSID_48521 Cc1ncnc(C)c1C(=O)N2CCC(C)(CC2)N3CCC4(CC3)OC(=O)N(C[C@@H]4CCCC)CC5CCOCC5 Tox21_303454 -NCGC00091602-02 196707393 tox21-ror-cho-viability-p1 set1 4 0.0096885416 -19.0180899119 1.574269192 -17.4438207199 0.3 0.5706872494 0.1193506863 -4.52144234 -4.72475559 -8.2209575 -7.81953516 -11.32043594 -14.0589575 -9.59541336 -9.38777875 -17.1596062 -5.98525305 -18.39563117 -13.13434453 -20.3698506 -14.49347909 -16.82655494 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00257140-01 196707796 tox21-ror-cho-viability-p1 set1 4 -0.26755232 3.05411043 -0.03558739 0.24896619 2.37548261 0.4316364 1.314691 5.87111184 -4.54012081 -0.13291418 5.79206587 6.08604565 0.54679879 0.15119195 9.77174113 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 124-17-4 31288 144213372 A A 2-(2-Butoxyethoxy)ethyl acetate CCCCOCCOCCOC(C)=O Tox21_303055 -NCGC00091643-08 196707801 tox21-ror-cho-viability-p1 set1 4 54.4826732819 -10.588475312 2.5 -8.088475312 4.4494702849 0.7051035506 0.0366957152 0.78026559 4.9136398 2.29939833 1.01524603 -0.22570681 1.95067779 3.28669618 3.08434676 2.44468622 0.41939811 2.96758955 5.68073014 4.40379464 -0.37122265 -7.15706276 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00163724-03 196707810 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -25.789512176 1 -24.789512176 4.9549173134 0.760634402 0.016555516 -2.7409251 2.25996426 0.41826825 -0.37980961 2.01584663 1.24422306 -2.25532305 7.72778255 4.90807451 0.67406083 1.43064621 -1.99065179 0.78895371 -0.00662215 -17.32459348 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00257160-01 196707811 tox21-ror-cho-viability-p1 set1 -1.1 0.1219715124 -86.4231740139 0.8144977899 -85.608676224 3.5117481694 0.9725857277 2.904E-7 1.15608714 1.35385142 1.73427074 -1.25697635 -0.32120341 -8.41219631 -51.33544665 -92.85027083 -91.65844597 -84.72260089 -84.37764658 -65.47978196 -95.12075136 -89.14773433 -81.47151501 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 683-18-1 12688 144213429 F A Dibutyltin dichloride CCCC[Sn](Cl)(Cl)CCCC Tox21_303112 -NCGC00255271-01 196707819 tox21-ror-cho-viability-p1 set1 4 0.273060203 -10.130448236 0 -10.130448236 4.9549173134 0.6943767467 0.0407570787 4.20163448 0.10856523 -6.10976488 0.62078774 0.51011 0.32409757 -0.21671233 -7.50939439 -9.44301852 -15.52537353 -13.54981919 -6.28108865 -4.9300134 -14.5039859 -7.83575367 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63612-50-0 4493 144211906 A A Nilutamide FC(F)(F)c1cc(ccc1[N+]([O-])=O)N2C(=O)C(C)(C)NC2=O Tox21_301589 -NCGC00257393-01 196708235 tox21-ror-cho-viability-p1 set1 4 -9.50115574 -5.40759743 -2.08713386 -4.0656681 0.95239603 -2.14926662 -4.13161608 -2.29717758 1.18676676 1.15385311 -4.05286213 -2.33087833 -6.83367276 -0.66248866 -3.68692676 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 549-18-8 11065 144213917 A A Amitriptyline hydrochloride Cl.CN(C)CC\C=C1\c3ccccc3CCc2ccccc12 Tox21_303612 -NCGC00259648-01 196708628 tox21-ror-cho-viability-p1 set2 4 -0.25206372 1.42982042 -3.01437935 0.08800767 -1.8008211 -2.22834802 1.52099497 -4.02209215 1.44235814 -2.57894144 -0.61315518 -0.24035852 -2.58442238 -0.56016246 -2.95366474 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 10081-67-1 82343 144209297 A A 4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline CC(C)(c1ccccc1)c2ccc(cc2)Nc3ccc(cc3)C(C)(C)c4ccccc4 Tox21_202099 -NCGC00258851-01 196708637 tox21-ror-cho-viability-p1 set2 4 -2.79620867 1.74262772 -2.99936184 0.06463854 -6.01874269 -0.49709035 1.29239717 -4.38510092 1.85152242 3.32796081 -4.75005453 -4.64481948 -1.81519292 -5.03211167 -5.9628251 1.1989999999E-9 2.6809999999E-9 5.995E-9 1.34E-8 2.9969999999E-8 6.7019999999E-8 1.4989999999E-7 3.351E-7 7.493E-7 0.000001676 0.000003747 0.000008378 0.00001873 0.00004189 0.00009367 97-65-4 811 144208497 A A Methylenebutanedioic acid O=C(O)C(=C)CC(=O)O Tox21_201299 -NCGC00257896-01 196701820 tox21-ror-cho-viability-p1 set1 4 -7.46186214 -8.6047918 -5.80981546 -9.09466044 -7.6750447 -8.51837689 -11.53111824 -6.10039369 6.0651644 -12.59603743 -9.21254359 -9.98734068 -11.40625538 -7.54360421 -3.76345936 1.167E-9 2.61E-9 5.836E-9 1.305E-8 2.918E-8 6.525E-8 1.459E-7 3.262E-7 7.295E-7 0.000001631 0.000003648 0.000008156 0.000018239999999 0.00004078 0.00009119 616-23-9 12018 144207540 A A 2,3-Dichloro-1-propanol ClCC(Cl)CO Tox21_200342 -NCGC00015675-08 196701004 tox21-ror-cho-viability-p1 set1 4 0.44966265 2.20802112 -0.14885661 0.95687237 2.86314638 6.27024813 1.84983186 1.59125899 -0.13950178 2.61762376 2.43404685 1.7510692 -0.0343309 2.42036425 1.16233852 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00255496-01 196701405 tox21-ror-cho-viability-p1 set1 4 -7.29333659 -5.02486627 -6.07974512 -7.6911097 -5.95258386 2.68700948 -7.20820565 -5.08725492 -2.06875042 2.95160339 -10.51252641 -5.48653955 0.39128566 -5.29762963 -6.5958667 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.938E-8 6.568E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.000041049999999 0.0000918 6988-21-2 23421 144212737 A Fc Dioxacarb CNC(=O)Oc1ccccc1C2OCCO2 Tox21_302420 -NCGC00255802-01 196701406 tox21-ror-cho-viability-p1 set1 4 -1.38739652 -11.32817482 -5.52234987 -1.22697461 -2.05341404 -7.45282964 -6.98410939 -1.53572807 -0.13853894 -9.66746312 -9.53603952 0.09817521 2.43602007 -1.2023996 -6.63985406 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14814-09-6 84658 144212510 F F 3-(Triethoxysilyl)propane-1-thiol CCO[Si](OCC)(OCC)CCCS Tox21_302193 -NCGC00257766-01 196701834 tox21-ror-cho-viability-p1 set1 4 2.67662314 2.09264524 1.63698712 0.58573877 2.50012435 0.32836801 -1.23852478 3.99458486 -0.41031713 -0.90438809 3.34705162 -0.99536747 3.36026299 1.78883616 1.83203298 1.203E-9 2.69E-9 6.015E-9 1.345E-8 3.0079999999E-8 6.725E-8 1.504E-7 3.3629999999E-7 7.519E-7 0.0000016809999999 0.0000037599999999 0.000008407 0.0000188 0.00004203 0.000093989999999 88917-22-0 3035467 144207410 FNS Dipropyleneglycol methyl ether acetate O=C(C)OC(CC)OCCCOC Tox21_200212 -NCGC00258195-01 196702245 tox21-ror-cho-viability-p1 set1 4 68.0319836447 -23.173808472 -1.5 -24.673808472 4.9549173134 0.5383502329 0.1451963313 -1.16241439 -3.88972941 -5.75378172 4.47481291 1.2379253 1.45951719 -6.9532131 4.4048396 -4.671732 -8.16564205 -0.62232343 4.83980691 -8.19991558 -2.25518618 -20.56150706 1.172E-9 2.621E-9 5.8609999999E-9 1.31E-8 2.9299999999E-8 6.552E-8 1.465E-7 3.276E-7 7.326E-7 0.0000016379999999 0.0000036629999999 0.00000819 0.00001831 0.00004095 0.000091569999999 94-45-1 7192 144207839 A A 2-Amino-6-ethoxybenzothiazole CCOc1ccc2nc(N)sc2c1 Tox21_200641 -NCGC00257625-01 196702249 tox21-ror-cho-viability-p1 set1 -2.4 69.2178691585 -58.9506280297 -7.6796612049 -66.6302892346 4.9549173134 0.9594953524 0.2029941444 -5.26257852 -8.80599825 -9.49374021 -5.10342294 -8.03202255 -6.05105796 -6.79179846 -50.12286912 -5.18783243 -5.66490187 -9.26158054 -11.77775041 -13.78830843 -10.50859744 -55.65895971 1.189E-9 2.6589999999E-9 5.945E-9 1.3289999999E-8 2.9719999999E-8 6.647E-8 1.486E-7 3.323E-7 7.4309999999E-7 0.000001662 0.000003716 0.0000083079999999 0.000018579999999 0.00004154 0.00009289 434-07-1 5281034 144207269 A A Oxymetholone O=C3C[C@@H]4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@]1(C)O)[C@@]4(C)C\C3=C\O Tox21_200071 -NCGC00260048-01 196703064 tox21-ror-cho-viability-p1 set1 4 1.83845131 8.81476249 7.41010285 5.08653314 4.21825249 1.25506033 4.89012099 11.46428821 1.27373202 2.41540446 2.50657448 4.94037207 5.95611202 4.92314671 0.698622 5.909E-10 1.3209999999E-9 2.955E-9 6.607E-9 1.477E-8 3.303E-8 7.387E-8 1.652E-7 3.693E-7 8.2579999999E-7 0.0000018469999999 0.000004129 0.000009233 0.000020649999999 0.00004617 481-74-3 10208 144209697 F F Chrysophanic acid Oc3cccc2C(=O)c1cc(C)cc(O)c1C(=O)c23 Tox21_202499 -NCGC00090701-06 196703066 tox21-ror-cho-viability-p1 set1 4 2.06656866 7.09851267 1.53589053 1.09057983 2.46808412 1.33927923 4.38468959 2.14102568 -0.64980353 0.45905327 -2.80336016 0.73956823 -0.24418479 -2.67933394 4.23746571 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00260240-01 196703073 tox21-ror-cho-viability-p1 set1 4 2.37111471 -0.45456738 0.54882954 -2.62754557 0.8633792 -1.27745417 0.74029484 -0.06787706 1.71747144 -1.67713895 -2.697599 -1.92626758 -0.65914834 -2.13612539 6.29484182 1.182E-9 2.6429999999E-9 5.91E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.304E-7 7.387E-7 0.0000016519999999 0.0000036939999999 0.000008259 0.000018469999999 0.000041299999999 0.00009234 874-81-7 14007922 144209890 F 1-Butylpyridinium iodide [I-].CCCC[n+]1ccccc1 Tox21_202692 -NCGC00260090-01 196703085 tox21-ror-cho-viability-p1 set1 -2.2 9.7378262331 -46.5420898715 0.7711482875 -45.770941584 3.0654483358 0.9271415064 0.0002727718 0.66398149 -0.51206337 3.72043249 -1.23954503 -1.39977064 1.08707923 -1.83583785 1.99479096 2.83223383 1.65418769 -3.22227557 -11.35713436 -50.85660176 9.29319604 42.594081 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.311E-7 7.405E-7 0.000001656 0.000003702 0.000008279 0.00001851 0.00004139 0.00009256 17831-71-9 28803 144209739 Ac Ac Tetraethylene glycol diacrylate O=C(OCCOCCOCCOCCOC(=O)C=C)C=C Tox21_202541 -NCGC00260417-01 196703483 tox21-ror-cho-viability-p1 set1 4 -1.91015087 1.79042019 3.55603778 -1.03019103 -0.52553493 -6.16061063 -0.32338593 -1.10320563 -4.74229881 -2.18792903 -0.97372787 -8.13725667 0.54114229 -2.8472421 2.61714313 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.0000036889999999 0.000008248 0.00001844 0.00004124 0.00009222 7787-56-6 62672 144210069 Beryllium sulfate tetrahydrate O.O.O.O.[Be+2].[O-]S([O-])(=O)=O Tox21_202871 -NCGC00258348-01 196701867 tox21-ror-cho-viability-p1 set1 4 1.40865292 6.48428489 3.93674364 13.50764479 1.87303303 2.04857878 8.21314274 5.22271189 17.50878758 5.29877153 0.62196878 1.29249366 6.63828492 0.92971742 4.32456489 1.1989999999E-9 2.6809999999E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.701E-8 1.4979999999E-7 3.351E-7 7.492E-7 0.000001675 0.000003746 0.000008377 0.00001873 0.00004188 0.00009365 96-31-1 7293 144207992 A A N,N'-Dimethylurea CNC(=O)NC Tox21_200794 -NCGC00181770-02 196725577 tox21-ror-cho-viability-p1 set3 1.2 1.2990017229 46.8505393459 -4.9661652619 41.884374084 4.9549173134 0.953925364 0.0000136169 -14.95574523 -9.69945087 -5.06682396 -4.6644101 -4.47294469 1.48603687 -0.65855715 -4.28472912 -5.35631011 -2.4960082 2.63793491 39.53669037 36.53761241 44.85154491 21.74985512 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 223652-90-2 157690 170465937 C Garenoxacin mesylate hydrate O.CS(=O)(=O)O.C[C@H]1NCc2cc(ccc12)c3ccc4c(c3OC(F)F)N(C=C(C4=O)C(=O)O)C5CC5 Tox21_112995_1 -NCGC00274078-01 196725137 tox21-ror-cho-viability-p1 set3 4 0.118832183 8.6771338881 1.3228661119 10 1.6266150999 0.5865521783 0.1218399594 2.43001286 5.79761121 3.26511525 -3.06427824 1.57842445 -1.41041432 7.40070007 6.77100773 5.2521629 9.79319607 15.63589165 11.20891784 5.62398388 9.77653802 3.9428864 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127-31-1 31378 170464959 F Fludrocortisone OCC(=O)[C@@]4(O)CC[C@@H]2[C@]4(C)C[C@H](O)[C@]1(F)[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_113344_1 -NCGC00163843-03 196725154 tox21-ror-cho-viability-p1 set3 4 -0.8606671 -0.54201078 -0.81593281 0.79228655 -1.58967123 -0.18531454 -0.17922848 1.34564208 -1.50719128 -1.0587435 -0.43940869 0.84793238 -4.73773854 -1.79920815 -3.41755078 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00249904-01 196725155 tox21-ror-cho-viability-p1 set3 4 3.43664359 -0.51867475 -1.62712396 3.25645852 0.20608638 0.43085515 4.62722163 0.95209327 11.63700224 0.64823958 1.20097359 1.21196862 4.50864201 0.31052847 1.73207278 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54400-59-8 166572 170466389 A A Butamisole CC(C)C(=O)Nc1cccc(c1)C2N=C3SCCN3C2 Tox21_113680 -NCGC00166106-03 196725973 tox21-ror-cho-viability-p1 set3 4 4.37564456 3.24938957 -0.04059676 -0.29496262 2.46912311 -0.54586731 -0.90232475 4.20524127 2.45250903 -0.25949317 0.1452137 2.32799618 2.3317454 1.77731588 -0.06714113 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2398-81-4 16976 170466130 A Nicotinic acid 1-oxide [O-][n+]1cccc(c1)C(O)=O Tox21_112319_1 -NCGC00091902-08 196726394 tox21-ror-cho-viability-p1 set3 4 0.49966074 1.51134127 -2.57126539 0.88083278 1.69583157 -5.62699638 -8.34657306 0 -1.33603261 -4.35352312 -1.08091454 -1.5023405 1.26816553 -1.66448073 -10.98354898 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00256991-01 196726395 tox21-ror-cho-viability-p1 set3 1.4 0.0019331182 23.9055600799 -25.4055600799 -1.5 3.5117481694 0.6958711442 0.0400479599 -22.0046334 -7.21808827 0 -2.99322889 0 0 0 0 -2.91098153 0 0 0 -12.34682048 -5.51919174 2.68882594 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-16-4 7006 144213477 A A 1,2,3-Benzotriazin-4(1H)-one O=C2N=NNc1ccccc12 Tox21_303160 -NCGC00090910-03 196726804 tox21-ror-cho-viability-p1 set3 4 1.62806729 -0.07022688 -5.45333927 -6.06852141 -5.7236272 -1.51728972 -0.77012112 -0.65885838 -0.42655687 2.61625231 1.48502833 0.27659376 0.03701972 0.70743375 0.87234275 1.227E-9 2.7439999999E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008574 0.00001917 0.000042869999999 0.00009586 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00163930-04 196726809 tox21-ror-cho-viability-p1 set3 4 2.6386721 -0.93016527 0.25958035 0.63112722 1.23562948 -0.577022 -1.69324373 1.68452923 2.1854312 2.47297904 -0.81967674 -2.28372054 -0.43384641 2.06449738 1.7569696 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.000001648 0.000003684 0.000008238 0.00001842 0.00004119 0.000092099999999 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00257287-01 196726818 tox21-ror-cho-viability-p1 set3 4 -0.98200179 -0.36428936 -2.74957914 -1.67019749 -1.56441496 -2.26929798 -3.55910702 -28.01914092 -26.36439201 -3.98546915 -1.98777971 -4.40896188 -3.89249177 -4.07440499 -0.10424944 1.063E-9 2.377E-9 5.316E-9 1.189E-8 2.6579999999E-8 5.943E-8 1.3289999999E-7 2.971E-7 6.6439999999E-7 0.0000014859999999 0.0000033219999999 0.0000074289999999 0.00001661 0.00003714 0.00008305 53-70-3 5889 144213892 F F Dibenz(a,h)anthracene c1c4c5ccccc5ccc4cc3c1ccc2ccccc23 Tox21_303587 -NCGC00257449-01 196726820 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -13.069140632 3 -10.069140632 4.9549173134 0.6096812173 0.0915256124 6.82641818 5.20707692 0.2558667 1.2329116 1.80870839 2.2381549 3.86825662 2.4084948 3.05563219 5.67417817 5.8044861 2.89495867 -0.10674674 3.03257071 -6.72428386 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 132-65-0 3023 144213726 A A Dibenzothiophene c1cccc2sc3ccccc3c12 Tox21_303415 -NCGC00091468-02 196727222 tox21-ror-cho-viability-p1 set3 -3 27.7787679881 -72.6537405249 -0.173755091 -72.8274956159 4.9549173134 0.9517641919 0.000017159 -0.00014593 0.2738446 -2.15990153 -3.22160954 0.42472337 -3.47585755 -1.88095439 0.1048022 0.0508481 -0.52903243 0.87557631 -0.67955241 0.49913021 -75.8619746 -2.13310462 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00257444-01 196727298 tox21-ror-cho-viability-p1 set3 4 -4.48638083 -3.40816506 -0.62754946 -1.33174978 -2.42808832 -4.67055264 -2.0789644 -0.07120821 -4.57411296 -1.31898664 -1.03553717 -1.32472824 -2.59854203 -2.91251774 0.60891181 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 108-22-5 7916 144213667 Fns Isopropenyl acetate C=C(C)OC(C)=O Tox21_303350 -NCGC00259405-01 196721615 tox21-ror-cho-viability-p1 set3 4 0.0013852607 20.3672159 -8.8672159 11.5 4.9549173134 0.5204285156 0.177194348 -4.05601325 14.38366556 6.81560525 18.71018664 11.8778264 11.48685581 13.09663592 9.3488559 15.02944684 6.8444928 10.76628316 13.68093901 11.13992617 3.8683618 0.72669462 1.1919999999E-9 2.6659999999E-9 5.962E-9 1.333E-8 2.981E-8 6.6649999999E-8 1.49E-7 3.3329999999E-7 7.452E-7 0.0000016659999999 0.000003726 0.000008332 0.00001863 0.00004166 0.00009315 3296-90-0 18692 144209054 A Bc 2,2-Bis(bromomethyl)-1,3-propanediol OCC(CBr)(CBr)CO Tox21_201856 -NCGC00254168-01 196720821 tox21-ror-cho-viability-p1 set3 4 0.1933118196 -16 19 3 1.0999999999 0.790702036 0.0096177803 17.75414337 14.36151508 17.01536905 22.20337006 18.95758576 22.52833741 8.31055931 4.77150758 4.7734921 6.45690408 7.98915047 6.61271052 1.82046528 0.71906583 1.21612558 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27138-31-4 101560 144210467 B B Di(propylene glycol) dibenzoate CC(OC(=O)c1ccccc1)COCC(C)OC(=O)c2ccccc2 Tox21_300147 -NCGC00260672-01 196721224 tox21-ror-cho-viability-p1 set3 -2.2 21.6458352432 -50.9759376834 -4.169351699 -55.1452893824 1.21 0.9450305507 0.0000140931 -6.10404034 -5.75671433 -1.45061201 3.47738867 -3.77423848 -5.05859521 -5.26455621 -8.35928229 -9.61800834 -7.12416888 -8.05900901 -12.31951452 -32.08236443 -36.15424393 -48.21612832 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.3169999999E-8 2.9459999999E-8 6.587E-8 1.4729999999E-7 3.294E-7 7.365E-7 0.0000016469999999 0.0000036819999999 0.000008234 0.000018409999999 0.00004117 0.00009206 1330-78-5 6529 144208744 A A Tricresyl phosphate Cc1ccc(cc1)OP(=O)(Oc2ccc(C)cc2)Oc3ccc(C)cc3 Tox21_201546 -NCGC00259962-01 196721618 tox21-ror-cho-viability-p1 set3 4 50.0428971381 9.5770704479 -3.5770704479 6 3.5117481694 0.4582741907 0.2186501331 -5.32713693 -2.27383045 -3.97108575 3.24958833 0.09245135 -4.50686145 -5.32597525 -4.97830846 -5.4737303 -4.64496017 -6.73089204 -2.63457184 -6.25957702 0.06653216 5.07454347 1.21E-9 2.7049999999E-9 6.048E-9 1.352E-8 3.024E-8 6.7619999999E-8 1.512E-7 3.381E-7 7.5599999999E-7 0.00000169 0.00000378 0.000008452 0.0000189 0.00004226 0.000094499999999 443-48-1 4173 144209611 A A Metronidazole Cc1ncc([N+]([O-])=O)n1CCO Tox21_202413 -NCGC00163919-02 196722015 tox21-ror-cho-viability-p1 set3 4 -7.56229076 -8.39392452 -4.80578172 -3.94321667 -5.03924599 -5.05726897 -6.74411338 -1.65783286 -1.57411224 -4.98937795 -3.74331643 -7.00711172 -5.2210008 -7.70590854 -7.30403078 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00259747-01 196722019 tox21-ror-cho-viability-p1 set3 4 15.3240778099 7.9166480399 -6.4166480399 1.5 3.9294729863 0.5073604417 0.1731777992 -3.02165641 -0.6482701 -10.3472067 -3.34766449 -5.10502654 -8.30181128 -8.50197001 -8.39960484 -6.50036452 -4.95490565 -6.90047979 -9.4017972 -0.19878113 -1.16554644 3.27168312 1.1779999999E-9 2.635E-9 5.891E-9 1.3169999999E-8 2.9459999999E-8 6.587E-8 1.4729999999E-7 3.2929999999E-7 7.364E-7 0.0000016469999999 0.0000036819999999 0.000008233 0.000018409999999 0.00004117 0.000092049999999 59-88-1 60962 144209396 F Phenylhydrazine hydrochloride Cl.NNc1ccccc1 Tox21_202198 -NCGC00091602-02 196722024 tox21-ror-cho-viability-p1 set3 4 0.021425522 -5.5863278439 1.5 -4.0863278439 4.9549173134 0.539439403 0.1457429936 -1.30980319 -0.74530218 2.40202969 6.90609672 -5.20698943 -4.39078838 -6.41931056 -7.57193987 -2.88477977 -2.19714972 -2.1182239 -4.18924875 -5.36063093 -1.9597259 -4.44426974 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00259740-01 196722026 tox21-ror-cho-viability-p1 set3 4 18.6842685802 9.9698586839 -10.4698586839 -0.5 4.9549173134 0.3479262454 0.3221063211 -14.71133129 -8.14935748 -1.84437081 0.57605256 -8.58284726 -15.64693889 -8.0324464 -11.96519748 -15.80821557 -12.29983334 -14.36164391 -14.36620382 -5.95049074 0.4252533 -1.67396275 1.1469999999E-9 2.564E-9 5.733E-9 1.282E-8 2.867E-8 6.41E-8 1.433E-7 3.205E-7 7.1659999999E-7 0.000001602 0.000003583 0.000008012 0.00001792 0.00004006 0.000089579999999 98-01-1 7362 144209389 AC Ac Furfural O=Cc1ccco1 Tox21_202191 -NCGC00075916-04 196722407 tox21-ror-cho-viability-p1 set3 4 1.80533922 -2.99437416 -1.48448343 1.48419699 -4.36026801 -1.32257423 -3.74699979 -24.67426732 3.83631936 0.56181509 0.80463614 -3.17676995 -1.30336897 -0.53851771 7.58255422 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27511-99-5 33925 170466441 A Eterobarb COCN1C(=O)C(CC)(C(=O)N(COC)C1=O)c2ccccc2 Tox21_110991_1 -NCGC00258885-01 196706308 tox21-ror-cho-viability-p1 set1 4 -3.96050099 -6.40527609 -17.06989663 -5.47420128 -3.7404468 -6.55242892 -6.93665896 -8.60592057 0.25225017 0 -7.25469906 -8.33908757 -11.65178333 2.5465547 2.15403785 1.198E-9 2.6779999999E-9 5.989E-9 1.339E-8 2.994E-8 6.696E-8 1.497E-7 3.3479999999E-7 7.486E-7 0.0000016739999999 0.0000037429999999 0.00000837 0.000018719999999 0.00004185 0.00009358 150-78-7 9016 144208531 A Ac Hydroquinone dimethyl ether COc1ccc(OC)cc1 Tox21_201333 -NCGC00259824-01 196706292 tox21-ror-cho-viability-p1 set1 4 69.7071642489 -18.046675764 1 -17.046675764 4.9549173134 0.8338359938 0.0036251849 -0.35523996 1.02428797 1.78099238 2.48682333 1.83112454 -0.83578085 2.98702875 2.70686037 -2.09643858 2.00331497 -1.77641705 2.60074969 3.24385675 -0.17517842 -13.78889647 1.196E-9 2.674E-9 5.9789999999E-9 1.337E-8 2.989E-8 6.685E-8 1.4949999999E-7 3.3419999999E-7 7.4739999999E-7 0.000001671 0.000003737 0.000008356 0.000018679999999 0.000041779999999 0.00009342 262-20-4 9217 144209473 A A Phenoxathiin c1ccc2Sc3ccccc3Oc2c1 Tox21_202275 -NCGC00259548-01 196706301 tox21-ror-cho-viability-p1 set1 4 -0.95672523 -7.04990402 -4.95894232 2.67747618 -5.06481897 1.06630426 -9.21638925 -0.74869452 -18.3210926 1.59386986 -5.66704278 1.0405598 2.3827945 0.03857746 7.14259 1.183E-9 2.644E-9 5.913E-9 1.322E-8 2.9569999999E-8 6.611E-8 1.4779999999E-7 3.306E-7 7.3909999999E-7 0.0000016529999999 0.000003696 0.0000082639999999 0.00001848 0.00004132 0.00009239 144-80-9 5320 144209197 A A Sulfacetamide Nc1ccc(cc1)S(=O)(=O)NC(C)=O Tox21_201999 -NCGC00258975-01 196709064 tox21-ror-cho-viability-p1 set2 -2.2 54.2611240406 -68.1925781044 1.791780996 -66.4007971084 3.5722481694 0.9930870164 1E-10 3.19865184 1.2291378 1.28633511 0.96573089 4.58158617 -0.08605427 2.36167857 1.0261819 0.275076 0.68810792 1.91037692 3.89684351 0.26516598 -16.3503399 -57.50060387 1.1759999999E-9 2.63E-9 5.8799999999E-9 1.315E-8 2.94E-8 6.574E-8 1.4699999999E-7 3.2869999999E-7 7.35E-7 0.000001643 0.0000036749999999 0.000008217 0.00001837 0.00004109 0.00009187 101-72-4 7573 144208622 A B N-Isopropyl-N'-phenyl-p-phenylenediamine CC(C)Nc1ccc(cc1)Nc2ccccc2 Tox21_201424 -NCGC00259828-01 196709460 tox21-ror-cho-viability-p1 set2 -1.1 2.4485085608 -94.2908902954 3.0806551794 -91.210235116 2.2481167061 0.9951835278 0 1.08377763 2.04572168 5.69356804 4.43079272 -1.27701617 5.25424394 3.50838463 -1.54520095 3.86254919 -28.18571632 -62.42366599 -86.17092796 -90.04999136 -92.69332837 -89.65043951 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 77-47-4 6478 144209477 Hexachlorocyclopentadiene ClC=1C(Cl)=C(Cl)C(Cl)(Cl)C=1Cl Tox21_202279 -NCGC00259693-01 196709477 tox21-ror-cho-viability-p1 set2 4 2.7306020303 7.8254824799 -0.8254824799 7 2.2526478767 0.5810684614 0.1266055468 -1.67448807 0.59440164 -2.13832881 -4.0212354 -0.85472308 1.17546169 -0.67000245 1.01996348 0.4108134 1.84390708 1.56624003 10.66190287 10.52815512 1.04346913 -3.18110032 1.18E-9 2.6389999999E-9 5.9009999999E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.299E-7 7.376E-7 0.000001649 0.000003688 0.0000082469999999 0.00001844 0.000041229999999 0.0000922 101-54-2 7564 144209342 A D N-Phenyl-1,4-benzenediamine Nc2ccc(Nc1ccccc1)cc2 Tox21_202144 -NCGC00259680-01 196709480 tox21-ror-cho-viability-p1 set2 4 23.8423789907 -15.486166756 -0.5 -15.986166756 2.3331733767 0.887739011 0.0005772375 -0.50537875 -1.45791128 0.09350119 1.97759031 -1.40377545 1.16586576 -0.15963917 -1.62770881 1.34514497 -4.89412294 -1.39751742 -2.61837175 -4.83168268 -13.64895765 -14.57180563 1.16E-9 2.594E-9 5.8009999999E-9 1.297E-8 2.9E-8 6.485E-8 1.45E-7 3.2429999999E-7 7.251E-7 0.000001621 0.000003625 0.0000081069999999 0.000018129999999 0.00004053 0.00009064 87-86-5 992 144209329 A A Pentachlorophenol Clc1c(O)c(Cl)c(Cl)c(Cl)c1Cl Tox21_202131 -NCGC00259787-01 196709485 tox21-ror-cho-viability-p1 set2 4 1.51797088 0.0619184 0.53601156 -4.80142098 4.90411569 1.40065608 0.20797881 0.78769584 1.10632303 0.80213282 4.43126239 2.51656322 0.96691357 -0.39879883 -4.44287235 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.0000036909999999 0.000008252 0.000018449999999 0.000041259999999 0.00009226 109-16-0 7979 144209436 A A Triethylene glycol dimethacrylate O=C(OCCOCCOCCOC(=O)C(=C)C)C(=C)C Tox21_202238 -NCGC00255679-01 196709878 tox21-ror-cho-viability-p1 set2 4 1.98316474 1.88521241 2.73309278 0.16815142 2.70952823 -0.20625133 0.55476836 -0.49793616 1.16692524 0.59555968 -4.03243214 0.97237592 1.26787687 0.80783539 0.66360798 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-96-5 7272 144212481 A I 3,6-Dimethyl-2,5-dioxo-1,4-dioxane CC1OC(=O)C(C)OC1=O Tox21_302164 -NCGC00255301-01 196709892 tox21-ror-cho-viability-p1 set2 4 2.12972154 4.57645245 2.40539256 3.59254883 4.58400836 4.80230445 0.75708009 0.95868735 0.68963456 -0.03540709 0.8320717 0.45295118 0.86093993 -0.54675591 6.83869961 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2873-97-4 17888 144212434 A A Diacetone acrylamide C=CC(=O)NC(C)(C)CC(=O)C Tox21_302117 -NCGC00255177-01 196709897 tox21-ror-cho-viability-p1 set2 4 -1.0501543 2.2143582 -1.93576162 -0.40410489 0.51171313 -5.37324706 -2.90176474 -5.78643421 1.43087305 -1.4669676 -0.16323122 0.54083849 1.08606142 0.54765183 -0.81682676 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22248-79-9 5284462 144212068 A A Z-Tetrachlorvinphos Clc1cc(C(=C\Cl)\OP(=O)(OC)OC)c(Cl)cc1Cl Tox21_301751 -NCGC00094521-05 196705767 tox21-ror-cho-viability-p1 set1 4 -10.54565092 -4.9418308 -6.65981839 0.24053596 -5.49516967 -0.28511857 -10.81752542 -6.98441233 -0.28014357 0 -7.38691602 -8.72522999 -0.00804367 -5.70365452 -8.48099861 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00016957-05 196704928 tox21-ror-cho-viability-p1 set1 4 0.55802237 0.27856097 -2.04883089 5.02321821 0.38122019 1.81040311 1.04078361 0.70717739 1.27859073 2.62670125 0.00431754 -0.04565372 4.41350231 1.1589914 4.27125397 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 89796-99-6 71771 170465979 A Aceclofenac Clc2cccc(Cl)c2Nc1ccccc1CC(=O)OCC(=O)O Tox21_110710_1 -NCGC00178831-03 196705340 tox21-ror-cho-viability-p1 set1 -3 33.4914596268 -71.610783092 -1.709052835 -73.319835927 4.9549173134 0.9646901481 0.0000012192 1.1635835 0.46328962 -6.53283763 -0.25101005 -0.53393093 -5.20053529 -0.27560059 -0.42306844 -1.26822806 -7.60468145 0 2.7748828 -4.30749727 -5.97901084 -64.31564555 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69235-50-3 443101 170465670 I Acriflavine hydrochloride [Cl-].C[n+]1c3cc(N)ccc3cc2ccc(N)cc12.Nc1cc2nc3cc(N)ccc3cc2cc1 Tox21_111337_1 -NCGC00259821-01 196705756 tox21-ror-cho-viability-p1 set1 4 -0.488797 -8.90130496 0.12214166 9.58755958 1.90638163 1.33366175 3.43048386 2.89766431 -0.62156464 0.93718611 1.54750924 -6.78778787 -6.45981205 0.59040443 1.15386598 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.56E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003667 0.0000082 0.00001834 0.000041 0.00009168 94-74-6 7204 144209470 A A MCPA Clc1cc(C)c(OCC(=O)O)cc1 Tox21_202272 -NCGC00258922-01 196706166 tox21-ror-cho-viability-p1 set1 4 1.38880354 5.36183937 0.95072089 1.13619998 -0.76183195 -2.0590003 3.60254165 -1.9426554 4.73500651 -0.29363415 0.93059189 -0.98778726 -0.42129331 -0.32701858 2.64374643 1.1739999999E-9 2.626E-9 5.871E-9 1.3129999999E-8 2.9349999999E-8 6.564E-8 1.468E-7 3.282E-7 7.339E-7 0.000001641 0.000003669 0.000008205 0.00001835 0.00004102 0.00009173 99-97-8 7471 144208568 A B N,N,4-Trimethylaniline Cc1ccc(cc1)N(C)C Tox21_201370 -NCGC00253634-01 196705148 tox21-ror-cho-viability-p1 set1 4 3.99968078 0.82024633 3.47803685 1.15458621 1.71329811 4.35903896 2.32451959 2.3649467 5.0967419 4.33362268 -1.80601863 0.98673417 -0.01717158 4.60199264 -0.14937421 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 22663-37-2 89785 170466753 A C 1-(4-Chlorobenzenesulfonyl)urea O=S(=O)(NC(N)=O)c1ccc(Cl)cc1 Tox21_113761 -NCGC00159397-03 196704746 tox21-ror-cho-viability-p1 set1 4 0.421632496 5.6157341479 -3.1157341479 2.5 4.9549173134 0.6612798431 0.0583989498 -5.27439149 -1.09545819 1.17334008 -4.93072641 -4.12935037 -5.3368406 -1.22368973 -5.51311179 -1.40452037 3.94561217 3.27493161 2.4792019 1.42325003 -0.00361636 4.86889681 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 129-81-7 8522 170465556 A Iodoantipyrine O=C2C(I)=C(C)N(C)N2c1ccccc1 Tox21_111636_1 -NCGC00013287-07 196704747 tox21-ror-cho-viability-p1 set1 4 26.6032120037 7.5885211879 -0.5885211879 7 4.9549173134 0.3270620955 0.3446279799 -2.88481378 -5.90710099 -0.01682505 4.74060914 2.65579385 -2.81131781 0.19670338 1.3106567 0.01199074 -3.40725408 -4.22442198 1.80558685 -2.25204054 1.13191747 6.69200965 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 138-41-0 8739 170466232 B Carzenide O=S(N)(=O)c1ccc(cc1)C(=O)O Tox21_110021_1 -NCGC00015774-06 196705145 tox21-ror-cho-viability-p1 set1 -2.4 33.4914596268 -22.7549161479 -1.5 -24.2549161479 4.9549173134 0.7553972329 0.0179997052 -0.8162825 2.85818192 -2.8270875 -0.88917988 3.08938854 -0.53267389 -4.46142669 -6.72351479 0.09980412 -3.52155162 -0.79363959 -4.6342542 -3.9826963 -1.42210322 -20.62909679 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60607-34-3 4615 170466059 A Oxatomide O=C5Nc1ccccc1N5CCCN2CCN(CC2)C(c3ccccc3)c4ccccc4 Tox21_110219_1 -NCGC00247707-01 196705152 tox21-ror-cho-viability-p1 set1 4 1.29398315 -0.71825105 1.48836639 -1.37718924 1.05775058 -3.01750184 -3.32016659 -2.51735637 -3.04038463 -2.99894693 11.56189824 0.39776479 -0.19860552 0.61673655 1.1656422 1.166E-9 2.608E-9 5.831E-9 1.304E-8 2.9149999999E-8 6.5189999999E-8 1.458E-7 3.26E-7 7.288E-7 0.0000016299999999 0.0000036439999999 0.000008149 0.00001822 0.00004074 0.00009111 6211-15-0 6321225 144206414 Z Z Morphine sulfate pentahydrate O.O.O.O.O.O=S(=O)(O)O.Oc5ccc1C[C@H]2N(C)CC[C@]43c1c5O[C@H]4[C@@H](O)C=C[C@@H]23.Oc1ccc2C[C@H]4N(C)CC[C@@]35[C@@H](Oc1c23)[C@@H](O)C=C[C@@H]45 Tox21_112861 -NCGC00260380-01 196703530 tox21-ror-cho-viability-p1 set1 4 -0.50470753 -13.61180939 -4.80408085 -0.7795604 -6.9529885 -4.55916167 -2.47517044 1.66167728 2.33376007 -0.36662506 -1.84717772 -3.77575213 -0.54703795 -15.39248438 -6.33550052 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 4292-19-7 20282 144210032 F Bc Dodecane,1-iodo- CCCCCCCCCCCCI Tox21_202834 -NCGC00357028-01 196703091 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -13.087772604 1 -12.087772604 2.6384283767 0.3335993842 0.3371215093 -0.07093667 1.90711449 1.6770796 0.27121494 -7.2214703 -3.05965021 1.08588548 0.96023558 5.67450334 1.79680975 8.15387348 0.12826414 -1.05721138 -1.41591533 -8.40647717 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 827-94-1 13231 251919954 Ac 2,6-Dibromo-4-nitroaniline Brc1cc(cc(Br)c1N)[N+]([O-])=O Tox21_303713 -NCGC00260620-01 196703095 tox21-ror-cho-viability-p1 set1 4 -3.94116479 -4.40071461 1.21002305 1.46377819 -7.04334191 5.31356811 -1.96951978 0.60506824 -2.07186724 -1.19388575 -0.14733919 0.05777603 0.33031141 0.97569924 0.14956559 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49516 144210273 M M NTP Mix96 ER1 10-EQP Tox21_203075 -NCGC00260659-01 196703101 tox21-ror-cho-viability-p1 set1 4 5.3080386368 -9.1208987799 1.5 -7.6208987799 4.9549173134 0.5805495782 0.1118357834 3.4792167 1.5192473 2.43407028 1.61101181 1.12083761 -0.44715565 1.22663342 -0.69658144 1.81211602 0.7538054 4.85117464 1.61615704 -13.01741565 0.44635321 -9.87658994 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49555 144210312 M M NTP Mix25 AR2 2-EQP Tox21_203114 -NCGC00260323-01 196703935 tox21-ror-cho-viability-p1 set1 4 -2.934907 1.07649358 -3.52883849 -0.00677233 -11.5526671 0.72936089 0.38273894 -5.42540534 -2.09295191 2.49630969 -0.60202047 -4.82038948 -5.85942092 -2.54036149 0.61565986 6.453E-11 1.443E-10 3.227E-10 7.215E-10 1.613E-9 3.6069999999E-9 8.066E-9 1.8039999999E-8 4.033E-8 9.0179999999E-8 2.0169999999E-7 4.509E-7 0.000001008 0.0000022549999999 0.000005041 1633-05-2 15407 144209974 Carbonic acid, strontium salt (1:1) [Sr+2].[O-]C([O-])=O Tox21_202776 -NCGC00263565-01 196704352 tox21-ror-cho-viability-p1 set1 4 0.97212313 3.79623227 3.05066434 0.75771922 -1.81028352 0.20988143 0.51127716 -2.81458614 0.06859198 4.93693559 3.04035374 -1.86336038 0.47506547 -1.31892978 -5.01744181 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60282-87-3 3033968 170466131 A Gestodene O=C4CC[C@H]3C(CC[C@@H]2[C@@H]3CC[C@@]1(CC)[C@H]2C=C[C@@]1(O)C#C)=C4 Tox21_112232_1 -NCGC00164597-02 196704356 tox21-ror-cho-viability-p1 set1 4 0.39955053 1.83348228 -0.46882324 0.02683175 -0.74991617 -6.50739937 0.29810308 1.06643295 0.77852936 -7.16847903 2.31997349 2.46625272 1.71077459 -0.8112854 3.65108606 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98717-15-8 175804 170465120 A Ropivacaine hydrochloride Cl.CCCN2CCCC[C@H]2C(=O)Nc1c(C)cccc1C Tox21_112221_1 -NCGC00159544-03 196704362 tox21-ror-cho-viability-p1 set1 -2.4 33.4914596268 -32.385591756 -1.5 -33.885591756 4.5044702849 0.9492390729 0.0000091896 -2.02216886 -4.80854597 0.75835731 0.17247376 -2.70033243 -3.24223342 -3.62513116 -1.36434667 0.52323715 -2.21442018 -1.2230961 -0.21268904 -0.86892582 -4.92757503 -28.23799313 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 109826-26-8 65909 170466388 A Zaldaride maleate O=C2Nc1ccccc1N2C3CCN(CC3)CC5(C)OCc6ccccc6n4cccc45 Tox21_111743_1 -NCGC00256229-01 196728147 tox21-ror-cho-viability-p1 set3 4 2.01895326 9.20494717 10.30275923 -2.12028662 -1.63524104 -5.18074058 6.00966059 0.16248438 4.51757161 3.02740647 1.7945471 7.50073454 -2.46892767 2.81581257 -0.83337636 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13047-13-7 92238 144212117 A C 4-(Hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one O=C1NN(CC1(C)CO)c2ccccc2 Tox21_301800 -NCGC00255413-01 196728155 tox21-ror-cho-viability-p1 set3 4 27.3060203028 -16.0212819879 1 -15.0212819879 1.92824246 0.82584056 0.0044348721 -2.96285949 1.86677849 0.61164593 2.30870986 2.7970541 -0.53526998 1.06647812 -0.95269993 0.57693702 2.08246425 4.29950609 -4.48972122 -2.67052591 -9.27264216 -15.01773499 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 42576-02-3 39230 144211933 A A Bifenox Clc2cc(Cl)ccc2Oc1cc(C(=O)OC)c(cc1)[N+]([O-])=O Tox21_301616 -NCGC00255288-01 196728142 tox21-ror-cho-viability-p1 set3 4 1.34889809 -2.30543697 0.94684254 0.70743731 11.38271567 -1.32520537 5.75043063 6.65474126 1.57234218 -0.08666046 4.7528559 -0.0211381 7.09067342 0.89118432 6.07180083 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-40-3 674 144212756 Dimethylamine CNC Tox21_302439 -NCGC00256143-01 196728146 tox21-ror-cho-viability-p1 set3 4 -0.00069765 6.01901135 -3.25339518 0.87518237 -0.02369182 1.90556243 3.89137312 1.23581788 4.27720407 -0.28984048 2.38706872 -3.05368897 0.91730483 5.3305627 3.36475477 4.223E-10 9.444E-10 2.112E-9 4.7219999999E-9 1.056E-8 2.3609999999E-8 5.2789999999E-8 1.1799999999E-7 2.64E-7 5.9019999999E-7 0.00000132 0.0000029509999999 0.000006599 0.00001476 0.000032999999999 17465-86-0 5287407 144212620 Bc gamma-Cyclodextrin OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@@H]9[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O Tox21_302303 -NCGC00255192-01 196728552 tox21-ror-cho-viability-p1 set3 4 -10.38576592 -0.84466388 -1.79184308 -4.02508421 -0.33007296 -1.47081807 1.53968388 3.42566097 -2.91657894 0.3824791 -3.45606173 -6.69262827 -4.74714397 -4.64188504 -11.84954634 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69045-78-9 50293 144211563 A F 2-Chloro-5-trichloromethylpyridine ClC(Cl)(Cl)c1cnc(Cl)cc1 Tox21_301246 -NCGC00255820-01 196728562 tox21-ror-cho-viability-p1 set3 4 1.95684565 3.67067797 0.10142582 -6.55430618 -1.9419246 -0.8727354 2.64229692 -2.32368359 -0.3067764 -1.91631486 0.28655613 -4.0933745 1.87530233 -2.42646611 5.26433465 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-03-0 16682993 144212185 Fc Aluminum hydroxide acetate (1:1:2) O[Al](OC(=O)C)OC(C)=O Tox21_301868 -NCGC00255897-01 196728565 tox21-ror-cho-viability-p1 set3 4 15.3553036427 -9.082335748 1 -8.082335748 3.5117481694 0.8408122367 0.0030102216 2.5571539 -2.56489471 1.31291636 1.51193618 0.82440662 0.04675595 2.01780443 2.87426395 0.74728139 0.23313569 3.87005381 -0.15974113 -4.57414247 -7.98527979 -7.96071308 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17321-77-6 68539 144212136 A A Clomipramine hydrochloride Cl.CN(C)CCCN2c3ccccc3CCc1ccc(Cl)cc12 Tox21_301819 -NCGC00256140-01 196728567 tox21-ror-cho-viability-p1 set3 4 -4.28298313 8.83761738 1.26734816 -1.2679288 3.15928846 13.0520144 4.69747574 9.7738319 2.01698921 8.99364461 3.69975458 -8.55655611 1.88375351 -0.25889177 0.91043815 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 30374-01-7 104386 144211593 F F Isooctyl 3-mercaptopropionate CC(C)CCCCCOC(=O)CCS Tox21_301276 -NCGC00091205-03 196728568 tox21-ror-cho-viability-p1 set3 4 0.0364168271 6.4666241879 -2.4666241879 4 4.9549173134 0.6387360163 0.0716976737 -0.59745767 -0.67092073 -2.27266119 -1.77709249 -7.88885349 5.77692816 6.3957204 4.15098388 5.64644368 1.90983412 4.98679121 2.32052349 3.01526167 4.14122791 1.332321 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00256267-01 196728965 tox21-ror-cho-viability-p1 set3 4 2.27965638 -0.08555408 3.09968213 1.78116494 7.30496078 4.83106799 -2.40065131 3.3325461 -0.7959389 1.87890637 -2.24834435 0.42129252 -0.823122 2.00232036 4.04039997 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2050-43-3 16303 144211963 A A N-(2,4-Dimethylphenyl)acetamide O=C(C)Nc1ccc(C)cc1C Tox21_301646 -NCGC00255157-01 196728975 tox21-ror-cho-viability-p1 set3 4 0.0019331182 7.789003556 -6.789003556 1 4.9549173134 0.3998469133 0.2921766539 -6.07416963 -0.42916882 1.46328469 2.16075082 0.83600603 3.78233189 5.90222252 -0.53103594 3.69865739 -1.60783788 2.97326868 -2.83559428 -1.38072659 -0.17126654 -1.80898153 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-66-0 31265 144211534 F Fns Ethyl hexanoate O=C(CCCCC)OCC Tox21_301217 -NCGC00255787-01 196701297 tox21-ror-cho-viability-p1 set1 4 -6.80487075 -9.75753359 -4.09531803 -1.46121167 -10.31132932 -1.58661804 -7.97497443 0.26180488 -11.9819475 -3.84284375 -6.73844569 -7.49820515 -12.0920276 0.22742331 0 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1335-66-6 101150 144212180 F F Isocyclocitral CC1CC(C)=CC(C)C1C=O Tox21_301863 -NCGC00255842-01 196700885 tox21-ror-cho-viability-p1 set1 4 1.2821293 0.71942939 3.31868952 -0.66555311 2.81103164 4.36544819 2.50136453 -1.24075574 -1.46723023 0.10834764 -2.82828754 3.85768126 1.07753011 0.73233892 -2.05816542 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 71526-07-3 3482402 144212574 A A MON-4660 ClC(Cl)C(=O)N2CCOC12CCCCC1 Tox21_302257 -NCGC00255989-01 196700895 tox21-ror-cho-viability-p1 set1 4 -5.03575094 0.64209297 -7.32333784 -5.21754739 -5.91783905 -0.14713837 -1.12155464 -4.62531923 0.76327023 -6.04670472 -1.01511532 -9.84768556 -0.17536952 1.52488912 0.72685949 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-13-6 7219 144211532 F Fns Indene c1cccc2CC=Cc12 Tox21_301215 -NCGC00255642-01 196700897 tox21-ror-cho-viability-p1 set1 4 0.0015355304 10.470834344 -7.970834344 2.5 4.9549173134 0.4353131196 0.2411504273 -5.80902862 2.49947995 0.45570232 1.1585753 2.6752432 6.04930237 1.80824998 2.46728807 1.40462078 3.97107349 7.03027822 -2.3801243 0.66001362 4.01808784 0.03051605 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 710-04-3 61204 144212645 D B Undecanoic delta-lactone O=C1CCCC(CCCCCC)O1 Tox21_302328 -NCGC00255303-01 196701303 tox21-ror-cho-viability-p1 set1 4 43.2771256911 15.6332881439 -2.6332881439 13 0.3 0.6942819105 0.0415419842 -2.91869105 -1.80945768 -2.25130826 1.38285035 -3.02774012 -0.45901653 -0.42852937 2.17072222 1.21852224 2.58045716 1.19062316 3.36913063 2.65176428 1.96714868 9.58475292 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 64-19-7 176 144211770 A A Acetic acid CC(=O)O Tox21_301453 -NCGC00163724-03 196701305 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -18.365953976 -1 -19.365953976 3.9899729863 0.5741363229 0.1168328359 0.45474767 -7.11372473 -4.18266192 -3.24897597 -3.99778476 -0.44707391 0.65534559 -1.375655 -3.92431649 1.29924795 3.89787129 4.0319083 -1.39445859 -2.9093829 -14.88829498 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00255340-01 196701316 tox21-ror-cho-viability-p1 set1 4 0.55184583 -0.26407208 0.23899025 4.42458881 3.08054887 1.99475536 0.7408862 8.21930291 0.80915218 1.1006987 0.63409222 0.02617696 0.43868387 6.5409082 7.35551847 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13684-56-5 24743 144212171 F D Desmedipham O=C(Oc1cccc(c1)NC(=O)OCC)Nc2ccccc2 Tox21_301854 -NCGC00258405-01 196701718 tox21-ror-cho-viability-p1 set1 4 -0.66283317 0.35653485 1.28824533 2.5003401 1.07908668 -0.04752651 2.67434394 1.54813033 -0.70444464 0.1886349 1.21833479 3.33946105 5.21794221 2.36244346 1.59934592 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.953E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008253 0.000018449999999 0.00004127 0.00009227 3209-22-1 18555 144208049 A A 2,3-Dichloronitrobenzene Clc1c(cccc1Cl)[N+]([O-])=O Tox21_200851 -NCGC00257581-01 196701726 tox21-ror-cho-viability-p1 set1 4 76.2549909905 12.1399073479 -0.1399073479 12 4.9549173134 0.6713140453 0.0535536154 0.15305659 -0.03060204 1.89366078 2.1224407 -2.37612852 0.2785254 -3.44992279 0.51212674 -1.7735434 0.1829416 -0.0475077 1.61743228 1.75057498 0.26855723 8.86373624 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.5479999999E-8 1.464E-7 3.274E-7 7.3209999999E-7 0.000001637 0.0000036609999999 0.000008185 0.0000183 0.000040929999999 0.000091519999999 78-95-5 6571 144207225 CC 1-Chloropropan-2-one CC(=O)CCl Tox21_200027 -NCGC00254255-01 196715024 tox21-ror-cho-viability-p1 set2 4 0.1722893406 9.165757344 -11.165757344 -2 0.7999999999 0.7326609025 0.0253502544 -11.41862126 -12.63813112 -8.75175563 -10.84961318 -9.74253113 -5.44336298 -8.68774171 -6.65213835 -5.89019251 -0.12300589 -0.72861804 -0.07196864 -5.67672587 -5.33961039 0.52638296 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-55-8 8437 144210840 A A Diethylene glycol dibenzoate O=C(OCCOCCOC(=O)c1ccccc1)c2ccccc2 Tox21_300522 -NCGC00254638-01 196715002 tox21-ror-cho-viability-p1 set2 4 61.130564862 -15.243313208 -1.5 -16.743313208 0.3 0.504644967 0.1759995573 0.61427744 -3.28405458 -0.26771018 -4.87299166 -0.74638602 -9.60135099 -2.01420054 -4.13864384 -7.59063203 -4.39995521 -3.85036609 -5.06485155 -7.08292053 -8.41093095 -12.28609434 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 330-55-2 9502 144211049 A A Linuron Clc1ccc(NC(=O)N(C)OC)cc1Cl Tox21_300732 -NCGC00254983-01 196715011 tox21-ror-cho-viability-p1 set2 4 -0.57775186 0.12856494 -0.60679518 2.51634603 -1.14672241 -0.72793317 -0.23132829 -0.03953534 0.09665301 -0.14693608 0.26655942 0.33311375 3.41590376 3.08651578 2.89274452 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55283-68-6 41381 144211399 A Ethalfluralin [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CC(=C)C)CC)C(F)(F)F Tox21_301082 -NCGC00254497-01 196715023 tox21-ror-cho-viability-p1 set2 -2.1 61.130564862 -77.4402443437 0.503531841 -76.9367125027 3.2474983358 0.9804449631 4.17E-8 0.26965848 -0.40517734 3.6489903 1.33735608 1.45724124 1.55357241 1.5804437 -0.01246944 -0.79915476 0.43653012 -0.01082014 -0.1945149 -8.04419501 -14.03260918 -61.31569129 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 361343-19-3 6914152 144210759 I I Elzasonan CN1CCN(CC1)c4ccccc4/C=C3\SCCN(c2cc(Cl)c(Cl)cc2)C3=O Tox21_300441 -NCGC00090885-03 196708263 tox21-ror-cho-viability-p1 set1 4 0.0019331182 8.859840924 -7.859840924 1 4.9549173134 0.7217489661 0.0300820764 -7.38320077 -0.60098589 1.8435163 -2.09581991 -0.30536925 1.54269205 2.75264647 0.83298454 2.07664022 1.93323264 1.33067863 0.44120678 -0.26998997 3.37285215 2.38318261 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00259855-01 196708654 tox21-ror-cho-viability-p1 set2 4 0.50715179 1.28300945 -1.05766189 -0.05020601 -0.24307641 2.10572102 1.24206091 2.27943967 2.63079025 2.05261655 2.62170578 1.108283 2.31692646 0.63618566 1.86465861 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.558E-8 1.466E-7 3.279E-7 7.3319999999E-7 0.0000016399999999 0.0000036659999999 0.000008198 0.00001833 0.00004099 0.00009165 50264-69-2 39562 144209504 A A Lonidamine O=C(O)c3nn(Cc1ccc(Cl)cc1Cl)c2ccccc23 Tox21_202306 -NCGC00259088-01 196708664 tox21-ror-cho-viability-p1 set2 4 0.03896953 -1.59404247 -1.38136013 -2.51327855 -0.65724058 -1.55213155 -1.63287627 -0.66075505 -0.82791967 0.22972495 0.84747085 -2.04409406 -1.41612783 1.75257909 7.4385426 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.9719999999E-8 6.6449999999E-8 1.486E-7 3.3219999999E-7 7.429E-7 0.0000016609999999 0.0000037149999999 0.0000083059999999 0.00001857 0.00004153 0.00009287 135-76-2 23667648 144208736 A A Sodium 6-hydroxynaphthalene-2-sulfonate [Na+].[O-]S(=O)(=O)c1ccc2cc(O)ccc2c1 Tox21_201538 -NCGC00259785-01 196708667 tox21-ror-cho-viability-p1 set2 4 0.53667723 0.11466832 -0.13562616 -0.32643939 1.91709403 5.68158163 2.132939 2.09954754 2.89613888 4.2181311 3.29711011 -0.43685363 2.55007053 0.46683109 3.42783153 1.469E-9 3.284E-9 7.3429999999E-9 1.642E-8 3.672E-8 8.21E-8 1.836E-7 4.105E-7 9.179E-7 0.0000020529999999 0.0000045899999999 0.00001026 0.00002295 0.00005131 0.0001147 24615-84-7 90558 144209434 D 2-Carboxyethyl acrylate O=C(O)CCOC(=O)C=C Tox21_202236 -NCGC00259183-01 196708668 tox21-ror-cho-viability-p1 set2 4 1.45404348 1.07449226 -0.39712428 -27.74630275 -0.21049473 0.06780346 0.35940423 0.33983034 -0.85045081 -0.25926417 2.91466426 0.83111791 1.60719033 2.9739044 -0.64266128 1.188E-9 2.6549999999E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 13071-79-9 25670 144208832 A Fc Terbufos CC(C)(C)SCSP(=S)(OCC)OCC Tox21_201634 -NCGC00258809-01 196709080 tox21-ror-cho-viability-p1 set2 4 0.1219715124 4.2195741559 -1.2195741559 3 4.4494702849 0.5446473352 0.1425603538 1.65143845 0.82692582 -5.59964513 -2.81495643 1.64394349 -2.7534245 2.38437203 4.08924609 4.19222959 4.44649076 2.19401262 2.6327534 1.81498485 3.39300562 2.2771858 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 123-92-2 31276 144208455 FNS 3-Methylbutyl acetate CC(=O)OCCC(C)C Tox21_201257 -NCGC00259169-01 196709086 tox21-ror-cho-viability-p1 set2 4 0.0526115 0.08554141 0.96223907 -2.09891846 4.0516632 1.05283433 0.06701415 1.15082945 3.43424269 3.7472371 0.10738269 3.07276567 2.25903351 0.55806997 -3.0725572 1.185E-9 2.651E-9 5.927E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3129999999E-7 7.409E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009261 930-69-8 4110039 144208818 D Sodium benzenethiolate [Na+].[S-]c1ccccc1 Tox21_201620 -NCGC00259399-01 196709089 tox21-ror-cho-viability-p1 set2 2.4 34.306336922 26.3693003241 1.6306996759 28 2.4063783767 0.9521517132 0.0000066405 -0.30775027 1.52276005 1.42657297 0.00367407 2.52295462 4.58078357 0.95548783 3.63114065 1.24954311 3.00424291 1.09142569 0.34995641 7.13497563 15.47247353 28.30005261 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.3169999999E-8 2.944E-8 6.583E-8 1.472E-7 3.291E-7 7.3599999999E-7 0.0000016459999999 0.00000368 0.0000082289999999 0.000018399999999 0.000041139999999 0.000092 2058-46-0 54680782 144209048 A B Oxytetracycline hydrochloride Cl.NC(=O)C=3C(=O)[C@@]4(O)C(O)=C2C(=O)c1c(O)cccc1[C@@](C)(O)[C@H]2[C@H](O)[C@H]4[C@@H](C=3O)N(C)C Tox21_201850 -NCGC00260167-01 196704124 tox21-ror-cho-viability-p1 set1 4 38.7669844901 12.1657941919 -0.1657941919 12 0.6999999999 0.6807386011 0.0482939037 -0.29803743 -0.19349457 1.0726429 2.25033206 1.157551 -3.47149516 -0.01867588 -0.31211677 1.39225424 -0.158429 3.77059083 1.25125439 6.77734192 3.72363748 8.79626633 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.961E-8 6.622E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001655 0.000003702 0.0000082769999999 0.00001851 0.00004139 0.00009254 174899-66-2 2734246 144209817 A A 1-Butyl-3-methylimidazolium trifluoromethanesulfonate CCCCn1cc[n+](C)c1.FC(F)(F)S([O-])(=O)=O Tox21_202619 -NCGC00260468-01 196704114 tox21-ror-cho-viability-p1 set1 4 1.5339689405 -31.242731588 6 -25.242731588 0.2 0.4689262151 0.206444232 2.71327317 0.21002083 0.04114833 -0.79046521 -17.30429622 -3.14936783 -3.27411759 -1.10944843 -2.18108761 -14.74854381 -16.07751007 -19.36894299 -4.1313487 -14.42044389 -18.00181659 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 518-28-5 10607 144210120 A A Podofilox COc1cc(cc(OC)c1OC)[C@H]3[C@H]2C(=O)OC[C@@H]2[C@@H](O)c4cc5OCOc5cc34 Tox21_202922 -NCGC00356957-01 196704120 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -15.529591496 0 -15.529591496 1.2221 0.6080602736 0.0922760858 0.70544742 -3.04875336 1.79146345 3.65690918 1.19475875 0.87851054 -2.26088334 -1.37743284 -1.5045235 1.63123115 1.51574029 -4.8648642 -3.74936646 -2.30438948 -11.27465958 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135590-91-9 10937610 251919735 A Mefenpyr-diethyl O=C(OCC)C2(C)CC(=NN2c1ccc(Cl)cc1Cl)C(=O)OCC Tox21_304023 -NCGC00357135-01 196704123 tox21-ror-cho-viability-p1 set1 -2.4 61.130564862 -40.017136136 1 -39.017136136 2.3531167061 0.8774102014 0.0008759767 -2.7288657 -0.03304759 0.96843725 1.50413782 7.68450541 -2.92161874 -0.27253573 3.6790827 2.49682513 2.18852191 -0.12872793 3.73857381 -6.08399087 -8.632671 -29.18094678 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 319-86-8 727 251919672 F delta-Hexachlorocyclohexane Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H]1Cl Tox21_303873 -NCGC00167808-02 196705195 tox21-ror-cho-viability-p1 set1 4 -1.82145038 -2.55759371 4.64246248 0.28648877 0.06780084 0.64023661 -0.02911614 1.46331729 1.57117014 -1.81937889 1.57170923 -1.41167252 1.44014162 -0.58050731 0.93939502 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127625-29-0 60785 170466120 A Fananserin Fc1ccc(cc1)N2CCN(CC2)CCCN5c4cccc3cccc(c34)S5(=O)=O Tox21_112587_1 -NCGC00253699-01 196705178 tox21-ror-cho-viability-p1 set1 4 9.2957959 0.68457938 0.15959854 1.52280807 2.32472886 5.26171133 0.65878164 8.62898095 4.4366321 -0.26747808 4.74114295 0.90178821 2.20175371 3.11344539 2.5209606 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 43076-61-5 2723694 170466732 A A 4'-Tert-butyl-4-chlorobutyrophenone CC(C)(C)c1ccc(cc1)C(=O)CCCCl Tox21_113820 -NCGC00182551-01 196705184 tox21-ror-cho-viability-p1 set1 4 1.56365606 0.08881355 2.71028722 1.5046604 2.51037738 2.2295103 1.48922617 4.33481346 0.23542434 0.36442282 3.40302629 1.55268576 -1.11328503 2.87732931 0.4445428 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 115-93-5 8293 144206631 B B Cythioate O=S(N)(=O)c1ccc(OP(=S)(OC)OC)cc1 Tox21_113080 -NCGC00159441-03 196705186 tox21-ror-cho-viability-p1 set1 4 -1.94628305 -1.99751715 -3.31644441 0.33489131 -0.80610136 -3.64793253 3.44189785 -1.42639803 1.73963522 -0.36096972 -1.05549581 1.80437386 2.33659689 -0.1514846 -0.28727078 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17598-65-1 28620 170465236 A Deslanoside O=C1C=C(CO1)[C@H]2CC[C@@]9(O)[C@]2(C)[C@H](O)C[C@H]4[C@H]9CC[C@@H]3C[C@H](CC[C@@]34C)O[C@@H]8O[C@H](C)[C@@H](O[C@@H]7O[C@H](C)[C@@H](O[C@@H]6O[C@H](C)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)C6)[C@@H](O)C7)[C@@H](O)C8 Tox21_111671_1 -NCGC00258281-01 196701886 tox21-ror-cho-viability-p1 set1 -3 27.7787679881 -49.3250785551 -0.898929848 -50.2240084031 4.9549173134 0.8536989585 0.0031268088 -2.24139486 3.04024978 -5.52935009 6.67262306 1.66221785 -1.75903443 -7.57472379 -8.94995518 -1.08521735 -3.94686234 1.45890242 1.39518163 2.9175153 -52.31667542 -0.46986737 1.197E-9 2.676E-9 5.9839999999E-9 1.338E-8 2.992E-8 6.69E-8 1.496E-7 3.345E-7 7.48E-7 0.000001673 0.00000374 0.000008363 0.000018699999999 0.00004181 0.0000935 92-55-7 7097 144207925 A A 5-Nitro-2-furanmethanediol diacetate O=[N+]([O-])c1ccc(o1)C(OC(C)=O)OC(C)=O Tox21_200727 -NCGC00258346-01 196701868 tox21-ror-cho-viability-p1 set1 4 3.58166118 5.57587163 -0.56366334 1.59560901 1.9750077 4.27244315 6.16825906 2.82038622 3.11363932 0.09799193 -2.49135909 -0.56697926 9.23428822 3.71386679 5.034477 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.9369999999E-8 6.568E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.000003672 0.00000821 0.000018359999999 0.000041049999999 0.00009179 996-35-0 70452 144207990 FNS Dimethylisopropylamine CC(C)N(C)C Tox21_200792 -NCGC00258584-01 196701870 tox21-ror-cho-viability-p1 set1 4 -7.93283487 -7.00299279 -6.12079972 0.00596295 -5.71789332 -0.79299651 -9.05014967 -7.05862992 -4.33149373 -8.01744008 -5.6304373 -10.49315778 -14.31196599 -3.7027697 -18.56093306 1.1919999999E-9 2.6649999999E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004163 0.000093099999999 112-37-8 8180 144208229 Ac Fc Undecanoic acid O=C(O)CCCCCCCCCC Tox21_201031 -NCGC00257991-01 196701882 tox21-ror-cho-viability-p1 set1 4 -2.98746071 0.32376904 -3.62846372 3.55796581 -4.35513726 -7.51527409 -3.09640399 6.54189067 -3.83577695 -0.10411491 6.89885674 -0.56844102 0.82508715 3.88908971 -4.7771306 1.1689999999E-9 2.6129999999E-9 5.843E-9 1.3069999999E-8 2.922E-8 6.5329999999E-8 1.461E-7 3.2659999999E-7 7.304E-7 0.0000016329999999 0.000003652 0.000008166 0.00001826 0.000040829999999 0.0000913 111-36-4 8110 144207635 F Butyl isocyanate CCCC\N=C=O Tox21_200437 -NCGC00257614-01 196701889 tox21-ror-cho-viability-p1 set1 4 -15.60344559 -3.90077371 -11.23304127 -11.44929842 -11.3228748 -13.09615031 -15.75444535 -15.5342858 -9.97615594 -17.61548489 -16.42852062 -14.05951988 -17.24641094 -10.27845527 -10.25025896 1.218E-9 2.7239999999E-9 6.092E-9 1.3619999999E-8 3.046E-8 6.811E-8 1.5229999999E-7 3.405E-7 7.6149999999E-7 0.000001703 0.0000038069999999 0.0000085139999999 0.000019039999999 0.00004257 0.00009518 75-97-8 6416 144207258 FNS 3,3-Dimethyl-2-butanone CC(C)(C)C(C)=O Tox21_200060 -NCGC00257955-01 196701892 tox21-ror-cho-viability-p1 set1 4 0.42922764 -10.59906673 -0.07356949 -0.96989475 -5.52666175 -4.99200633 -5.03229157 -5.78691192 0.65938533 -17.24205935 -9.98842277 -6.22434944 -1.19905706 -13.19831839 -16.69863926 1.175E-9 2.626E-9 5.873E-9 1.3129999999E-8 2.936E-8 6.566E-8 1.468E-7 3.2829999999E-7 7.341E-7 0.000001642 0.0000036709999999 0.000008208 0.00001835 0.00004104 0.00009176 76-13-1 6428 144207599 1,1,2-Trichloro-1,2,2-trifluoroethane ClC(F)(F)C(Cl)(Cl)F Tox21_200401 -NCGC00257807-01 196729814 tox21-ror-cho-viability-p1 set3 4 1.21846758 -0.98562577 0.84901066 -3.39067533 -1.03872439 -0.13915365 1.55627164 1.27807076 -1.90413045 0.70842179 2.39650776 4.32745068 0.32437641 1.76367327 0.856972 1.2089999999E-9 2.703E-9 6.045E-9 1.352E-8 3.022E-8 6.758E-8 1.511E-7 3.379E-7 7.556E-7 0.00000169 0.0000037779999999 0.000008448 0.00001889 0.00004224 0.000094449999999 7665-72-7 24314 144207451 AC Ac tert-Butyl glycidyl ether CC(C)(C)OCC1CO1 Tox21_200253 -NCGC00258709-01 196729817 tox21-ror-cho-viability-p1 set3 4 -1.49721676 -0.56060346 0.0929267 0.31873036 0.35345423 0.31191589 1.73088962 0.13650546 2.91827522 3.57119301 1.05213753 2.34330033 0.93147093 0.1204757 -0.28914706 1.156E-9 2.586E-9 5.7819999999E-9 1.293E-8 2.891E-8 6.465E-8 1.446E-7 3.232E-7 7.228E-7 0.000001616 0.0000036139999999 0.000008081 0.000018069999999 0.0000404 0.000090349999999 108-09-8 7908 144208355 FNS 1,3-Dimethylbutylamine CC(C)CC(C)N Tox21_201157 -NCGC00091009-05 196730232 tox21-ror-cho-viability-p1 set3 4 0.48733654 -3.81156476 -3.5049767 -3.59205824 -0.37453144 -3.7260064 1.84592197 -3.10970928 -0.18615106 1.40699874 -12.66218551 0 -9.46811463 -0.14460561 -4.14044179 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00016866-11 196726161 tox21-ror-cho-viability-p1 set3 4 -4.02355856 -10.22655916 1.26433306 0.26520962 -3.70094362 -0.4408678 2.02326048 -3.72964837 -1.97596537 -3.04644019 0.96346596 -2.33677258 2.00603158 -3.86020588 -3.07849397 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51940-44-4 4831 170465767 A Pipemidic acid O=C(O)C2=CN(CC)c1nc(ncc1C2=O)N3CCNCC3 Tox21_110655_1 -NCGC00263658-01 196726150 tox21-ror-cho-viability-p1 set3 4 0 -12.63809847 -3.92584785 -4.37502341 -6.30723034 2.03621212 1.06806511 -5.50237641 -1.56231744 -0.28783118 -0.52685208 -1.88079916 1.50202262 -6.21714564 1.80740871 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 38821-53-3 38103 170465355 Z Cephradine CC=3CS[C@H]2N(C(=O)[C@H]2NC(=O)[C@H](N)C1=CCC=CC1)C=3C(=O)O Tox21_113488_1 -NCGC00092314-04 196726154 tox21-ror-cho-viability-p1 set3 -1.1 0.2113168243 -71.4247932105 -3.5408455009 -74.9656387114 1.713743691 0.9778747253 8.5E-8 0 0 -14.71153345 -5.7011528 -0.13840094 -7.49921008 -7.90052657 -39.52740814 -48.16519155 -73.42798284 -75.40845501 -74.29135214 -75.08942476 -74.55516146 -72.22203502 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35943-35-2 65399 170466256 A Triciribine CN4N=C(N)c2cn([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c3ncnc4c23 Tox21_111192_1 -NCGC00091253-05 196726160 tox21-ror-cho-viability-p1 set3 4 0.0033330161 -9.9807218199 8 -1.9807218199 0.7999999999 0.5837752578 0.1109404849 5.78901843 1.96269723 3.19144855 -0.39107087 -0.36871335 -0.40264924 -2.48894076 -0.2308703 -0.89798868 -7.48393485 0.002489 -1.94029909 -3.3996296 0.23444044 -1.44465629 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00254187-01 196720407 tox21-ror-cho-viability-p1 set3 4 1.20720569 -10.5512003 4.77098124 1.57577303 -0.65473674 19.5638355 2.50426641 -1.85758652 0.05091976 -10.03424425 -2.53608267 -0.02412075 16.55734571 11.10411136 -6.61690769 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-54-2 7564 144210347 A C N-Phenyl-1,4-benzenediamine Nc2ccc(Nc1ccccc1)cc2 Tox21_300027 -NCGC00254267-01 196719600 tox21-ror-cho-viability-p1 set3 4 0.0096885416 15.906634712 -16.906634712 -1 0.6 0.6911397011 0.042401752 -11.47216598 -16.58886226 -6.29360245 -4.62994442 -11.55124354 -6.53236557 -2.45805969 0.49952601 -0.47789118 -2.85257152 -1.32795634 -3.77399476 -2.5670999 -0.53175414 1.37556192 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-14-8 8094 144210660 A A Heptanoic acid CCCCCCC(=O)O Tox21_300342 -NCGC00254797-01 196720410 tox21-ror-cho-viability-p1 set3 4 0.685896219 8.5812024119 -0.5812024119 8 4.9549173134 0.3738206879 0.313143056 -3.62263357 -1.38044266 4.35553202 14.09586863 -6.19999184 -5.18652196 1.0372604 -7.15100201 4.28163715 13.08118516 9.69879045 5.71442284 5.88595283 6.84469893 1.12652181 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1610-18-0 4928 144211210 A A Prometon COc1nc(NC(C)C)nc(NC(C)C)n1 Tox21_300893 -NCGC00254786-01 196720418 tox21-ror-cho-viability-p1 set3 2.4 13.6715125731 38.968862253 0.858365155 39.827227408 2.4063783767 0.6482099854 0.0766723176 4.43233417 1.27395849 4.51517884 -5.30594755 -9.62228332 -9.00933365 17.88496397 10.8209185 8.71236434 -8.9679161 -7.35904692 12.18447589 27.69334237 36.41175094 -1.16613914 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 39515-41-8 47326 144211199 A A Fenpropathrin CC3(C)C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C Tox21_300882 -NCGC00254484-01 196720426 tox21-ror-cho-viability-p1 set3 4 0.0485577337 -13.645767164 16 2.354232836 0.5 0.447097581 0.227333933 13.18972464 10.00337175 14.16321992 12.82332332 6.05692067 17.47082586 4.40182358 5.62507926 6.66168893 0.28859718 3.99237722 -4.70480597 9.5908486 5.67009945 3.65999662 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-11-5 8091 144210874 A Fns Methyl octanoate O=C(CCCCCCC)OC Tox21_300557 -NCGC00254814-01 196720431 tox21-ror-cho-viability-p1 set3 -2.1 54.4826732819 -92.5552977287 5.567250288 -86.9880474407 2.2481167061 0.9608542965 0.0000021716 6.29306036 2.42261556 6.19455039 3.89213639 11.96931606 -0.99027643 7.97585223 12.7549583 2.06705239 2.42536197 10.76190301 2.5729899 -4.6765921 -25.68603112 -65.90003594 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18181-70-9 28935 144211227 Iodenphos Clc1cc(I)c(Cl)cc1OP(=S)(OC)OC Tox21_300910 -NCGC00255049-01 196720828 tox21-ror-cho-viability-p1 set3 4 -4.80115694 6.88606443 6.16154004 13.81734841 9.06375374 0.11048519 5.70890634 -1.58454003 10.95481621 -4.52995854 -5.69322449 7.01779194 0.26761182 -1.23910379 -0.42997534 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-47-1 7020 144211468 A A Xanthone O=C1c3ccccc3Oc2ccccc12 Tox21_301151 -NCGC00254644-01 196720839 tox21-ror-cho-viability-p1 set3 4 0.0136715126 17.2367089479 -15.7367089479 1.5 0.3 0.7358284841 0.0242662892 -11.69615441 -12.28059079 -3.35668771 -3.75434424 -9.35973072 -7.01090122 -4.11632343 -1.97068311 -2.00576565 -2.70765271 -0.60916109 -2.20798345 0.55400299 0.53435277 0.73828869 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 84087-01-4 91739 144211055 A A Quinclorac O=C(O)c1c(Cl)ccc2cc(Cl)cnc12 Tox21_300738 -NCGC00090702-02 196721647 tox21-ror-cho-viability-p1 set3 4 0.0306378587 -6.5109365999 2 -4.5109365999 4.9549173134 0.4298523244 0.2612759133 -3.53328194 2.67180305 1.21139021 8.72285109 -1.45729178 -4.4553049 -4.14303197 -4.13230795 -9.1757805 -2.72079337 -2.8272089 -6.09811827 -6.98392362 1.94793885 8.71002743 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00259336-01 196721227 tox21-ror-cho-viability-p1 set3 4 33.8874009044 9.3230664279 -4.3230664279 5 4.9549173134 0.6873371847 0.0447943031 -6.53908884 -6.93588869 -1.16638615 0.15698707 -4.04003638 -5.0473836 -5.70026256 -4.08534458 -4.93214049 -2.83824498 -4.22451311 -4.43312246 -5.04283005 2.78479535 4.42280143 1.166E-9 2.608E-9 5.831E-9 1.304E-8 2.9159999999E-8 6.5199999999E-8 1.458E-7 3.26E-7 7.2889999999E-7 0.0000016299999999 0.000003645 0.00000815 0.00001822 0.00004075 0.00009112 105-67-9 7771 144208985 A A 2,4-Dimethylphenol Cc1ccc(O)c(C)c1 Tox21_201787 -NCGC00259805-01 196721246 tox21-ror-cho-viability-p1 set3 -2.4 50.244741361 -35.278108064 -0.634327327 -35.912435391 3.5117481694 0.5698934477 0.1192490459 0.96245224 8.50288394 0.8873003 9.86151655 0.14950805 -7.72236543 -0.29108915 -21.64419354 -1.20346213 -0.28736193 -0.22319468 0.26357613 1.59957812 -10.47802228 -31.48175672 1.103E-9 2.467E-9 5.517E-9 1.234E-8 2.7589999999E-8 6.168E-8 1.3789999999E-7 3.084E-7 6.8969999999E-7 0.000001542 0.000003448 0.000007711 0.000017239999999 0.000038549999999 0.000086209999999 558-37-2 11210 144209454 FNS 3,3-Dimethyl-1-butene C=CC(C)(C)C Tox21_202256 -NCGC00260002-01 196721631 tox21-ror-cho-viability-p1 set3 4 24.3117693128 7.2240077199 -5.7240077199 1.5 4.9549173134 0.7162405641 0.0320457594 -7.73191773 -5.47136493 -4.78773822 -3.0774285 -3.76663364 -6.07415304 -4.6367445 -7.07656059 -7.75018174 -5.50759708 -6.66517146 -8.9366731 -4.02923173 1.2392659 1.10570907 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.295E-7 7.367E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.000041179999999 0.00009209 7085-85-0 81530 144209651 FNS Ethyl cyanoacrylate N#CC(=C)C(=O)OCC Tox21_202453 -NCGC00255218-01 196709922 tox21-ror-cho-viability-p1 set2 -1.1 24.31622023 -70.114224684 -0.184036641 -70.298261325 4.0949729863 0.9808148313 3.73E-8 -6.6672252 -0.60050396 1.24856164 0.13942097 1.03003862 -4.29918534 0.76269215 0.16438809 0.05171563 3.73118716 0.71596336 0.4295235 -9.69964931 -56.0123905 -78.10917925 9.733E-10 2.176E-9 4.8659999999E-9 1.088E-8 2.433E-8 5.4409999999E-8 1.2169999999E-7 2.72E-7 6.083E-7 0.00000136 0.0000030409999999 0.000006801 0.00001521 0.000034 0.00007604 145040-37-5 2540 144212519 A F Candesartan cilexetil O=C(OC1CCCCC1)OC(C)OC(=O)c5cccc6nc(OCC)n(Cc2ccc(cc2)c3ccccc3c4nnnn4)c56 Tox21_302202 -NCGC00257551-01 196709912 tox21-ror-cho-viability-p1 set2 4 76.9588215421 10.134244864 -0.134244864 10 4.9549173134 0.3556287409 0.318004051 -1.88593627 7.49798467 -1.85223068 0.63047999 0.59068858 -2.29829027 -1.77808132 -2.33177665 1.17983758 -2.61187072 1.26645746 -0.15987909 -1.01772836 -0.13995372 6.97085322 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 626-89-1 12296 144211609 A 4-Methylpentan-1-ol CC(C)CCCO Tox21_301292 -NCGC00255762-01 196709919 tox21-ror-cho-viability-p1 set2 4 -3.91560556 -5.47974755 -4.3205795 -4.62954013 -6.45117558 -0.45161004 -4.80669845 -5.20845334 -2.75961036 0.41344825 1.77213491 -4.47973434 -2.70393945 -3.99204179 0.11458803 8.075E-10 1.806E-9 4.0379999999E-9 9.028E-9 2.0189999999E-8 4.514E-8 1.009E-7 2.257E-7 5.047E-7 0.000001129 0.000002524 0.0000056429999999 0.00001262 0.00002821 0.00006309 145701-23-1 11700495 144212750 A A Florasulam Fc3cccc(F)c3NS(=O)(=O)c1nc2c(F)cnc(OC)n2n1 Tox21_302433 -NCGC00255697-01 196709921 tox21-ror-cho-viability-p1 set2 4 5.01317956 -0.30665515 -0.44645003 2.48184758 -0.13174755 -0.33688809 -0.43327684 -0.88409001 -1.61470664 -0.58197891 -0.65326018 -0.85391813 0.33627617 -0.49112902 -2.84627803 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5300-03-8 449171 144212512 Ac Fc 9-cis Retinoic acid CC=1CCCC(C)(C)C=1/C=C/C(/C)=C\C=C\C(\C)=C\C(=O)O Tox21_302195 -NCGC00256197-01 196709923 tox21-ror-cho-viability-p1 set2 4 0.97336207 4.46944353 -0.04583047 1.26661281 2.86232423 2.75549809 -0.33856219 1.9912975 2.68497511 2.02637047 2.28835174 2.8585182 -0.66790716 2.65769767 2.57334204 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3278-89-5 76767 144212028 A Ac 1,3,5-Tribromo-2-(prop-2-en-1-yloxy)benzene Brc1cc(Br)cc(Br)c1OCC=C Tox21_301711 -NCGC00163774-04 196709925 tox21-ror-cho-viability-p1 set2 4 0.6331280189 4.9108574839 -3.9108574839 1 4.9549173134 0.4990243513 0.1812613115 -5.15151667 -8.67571457 -2.82353916 -1.24908216 -0.02051362 -1.60682162 -4.03669209 -6.87296717 0.16328872 1.69209237 -2.61257192 2.72475111 0.00540481 2.23571145 2.41089488 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00255772-01 196710318 tox21-ror-cho-viability-p1 set2 -2.2 61.130564862 -67.1373778034 -2.434031307 -69.5714091104 2.8472712143 0.9781035345 8.02E-8 -6.09801963 0.76053838 -1.38191993 -3.31964114 -2.38837039 0.87712435 -5.6088436 -4.71140576 -1.37297385 -1.65244386 -4.04246897 -3.39979481 -4.5493867 -18.90206484 -53.46318872 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 638-07-3 69484 144212380 F F Ethyl 4-chloro-3-oxobutanoate O=C(CCl)CC(=O)OCC Tox21_302063 -NCGC00255247-01 196710320 tox21-ror-cho-viability-p1 set2 -2.4 43.2771256911 -35.730015716 1.5 -34.230015716 2.3331733767 0.9809086395 3.64E-8 -0.62626866 4.54455278 0.9856685 2.54587763 2.16557627 1.83077227 0.50690219 1.86028539 -0.17559823 1.67893216 1.48762844 0.79964567 -1.97839146 -14.92460307 -29.35834643 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3691-35-8 19402 144211882 B F Chlorophacinone Clc1ccc(cc1)C(c2ccccc2)C(=O)C4C(=O)c3ccccc3C4=O Tox21_301565 -NCGC00259509-01 196705792 tox21-ror-cho-viability-p1 set1 4 0.0192722205 10.18899378 -11.18899378 -1 4.9549173134 0.6496072088 0.0645450433 -13.76034717 -7.3633214 -8.24242389 -15.99082815 3.54967525 -4.63411409 1.0281207 -1.29841603 -4.85071363 -4.77265803 0.2771632 -0.34814773 -0.75491405 0.07519785 -1.4083861 1.177E-9 2.6319999999E-9 5.8849999999E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.0000036779999999 0.000008225 0.00001839 0.00004113 0.00009196 98-11-3 7371 144209158 A A Benzenesulfonic acid O=S(O)(=O)c1ccccc1 Tox21_201960 -NCGC00259324-01 196705780 tox21-ror-cho-viability-p1 set1 -2.4 42.8373931429 -40.032160336 4.5 -35.532160336 1.9673362061 0.8937126902 0.0004366039 4.24925777 7.60491427 5.96977701 7.24305529 9.07882125 0.51235921 0.04343883 3.67912987 8.78755423 0 -0.33213215 2.40471278 0.63943138 -16.67918554 -27.52680028 1.1699999999E-9 2.6159999999E-9 5.85E-9 1.3079999999E-8 2.925E-8 6.54E-8 1.462E-7 3.27E-7 7.3119999999E-7 0.000001635 0.000003656 0.000008175 0.00001828 0.00004088 0.0000914 103-34-4 7648 144208973 A A 4,4'-Dithiodimorpholine S(SN1CCOCC1)N2CCOCC2 Tox21_201775 -NCGC00259465-01 196705782 tox21-ror-cho-viability-p1 set1 4 -7.43841047 5.39421399 -13.08590531 -13.71721546 -4.98463661 -4.80894066 -6.13320504 -5.43716586 3.84432548 -17.01852242 5.65672204 -8.13808706 -11.26229464 -6.36358484 1.21322184 1.206E-9 2.697E-9 6.0309999999E-9 1.349E-8 3.016E-8 6.743E-8 1.5079999999E-7 3.372E-7 7.539E-7 0.0000016859999999 0.00000377 0.000008429 0.00001885 0.000042149999999 0.000094239999999 77191-36-7 71157 144209114 A A Nefiracetam O=C2CCCN2CC(=O)Nc1c(C)cccc1C Tox21_201916 -NCGC00259076-01 196705791 tox21-ror-cho-viability-p1 set1 4 9.92347575 -0.3870684 0.28093369 0.27855642 2.82290887 2.94165376 3.30714655 -0.1875997 6.98688267 0 -9.34084136 -1.02496396 1.0530414 1.0984 3.30148653 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 79-06-1 6579 144208724 A A Acrylamide C=CC(N)=O Tox21_201526 -NCGC00259594-01 196706834 tox21-ror-cho-viability-p1 set1 4 6.15755027 6.03896532 0.42144274 3.67762727 -0.40812852 0.15509135 0.91236961 1.27265009 -0.53365235 7.47901799 1.34272798 0.24664457 0.31507437 0.61185796 2.85203835 1.1679999999E-9 2.6129999999E-9 5.8419999999E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.4599999999E-7 3.2659999999E-7 7.3019999999E-7 0.0000016329999999 0.0000036509999999 0.000008164 0.00001826 0.00004082 0.00009128 262-12-4 9216 144209243 A A Dibenzo-p-dioxin c1ccc2Oc3ccccc3Oc2c1 Tox21_202045 -NCGC00259779-01 196706439 tox21-ror-cho-viability-p1 set1 4 3.479617501 10.630381108 -4.130381108 6.5 2.1876167061 0.7268223821 0.0273240177 -6.87088496 1.52950073 -7.0546502 -1.05423024 -6.54284494 -1.04837877 -4.50721587 -8.02531759 -5.77854335 0 0.57646461 5.21334577 8.92861 6.48036303 3.90647036 1.1919999999E-9 2.6649999999E-9 5.959E-9 1.332E-8 2.98E-8 6.662E-8 1.49E-7 3.331E-7 7.449E-7 0.0000016659999999 0.000003724 0.0000083279999999 0.00001862 0.00004164 0.00009311 140-31-8 8795 144209428 F 1-(2-Aminoethyl)piperazine NCCN1CCNCC1 Tox21_202230 -NCGC00259663-01 196706441 tox21-ror-cho-viability-p1 set1 4 -2.50347908 -0.37378872 -6.81723013 -2.04500211 -10.31687384 0.05441557 -0.58266416 -6.28463681 -1.45454383 -3.98417821 -3.15773884 0.13777764 -2.91125865 -10.91187064 -4.85674948 1.1989999999E-9 2.68E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.701E-8 1.4979999999E-7 3.351E-7 7.492E-7 0.000001675 0.000003746 0.0000083759999999 0.00001873 0.00004188 0.00009365 603-35-0 11776 144209312 C Triphenylphosphine c1ccccc1P(c2ccccc2)c3ccccc3 Tox21_202114 -NCGC00259203-01 196706837 tox21-ror-cho-viability-p1 set1 4 5.90767756 0.28140625 -3.87558888 1.37839048 0.62512847 5.43415027 0.06720831 0.06253323 11.00916459 -8.64123272 0.80030797 2.88989951 2.90833968 3.651138 1.81889773 1.146E-9 2.564E-9 5.732E-9 1.282E-8 2.866E-8 6.4089999999E-8 1.433E-7 3.204E-7 7.165E-7 0.000001602 0.000003583 0.0000080109999999 0.00001791 0.00004006 0.000089569999999 141-86-6 8861 144208852 A D 2,6-Diaminopyridine Nc1cccc(N)n1 Tox21_201654 -NCGC00259490-01 196706838 tox21-ror-cho-viability-p1 set1 4 2.006082059 14.8822004479 -14.3822004479 0.5 2.9522712143 0.8034732576 0.0074011202 -18.87807416 -9.81329676 -16.87910846 -21.98516704 -13.96926039 -10.02621551 -11.13699644 -10.33178032 -15.49617488 -8.71678528 -1.80763592 -0.8473563 1.1447837 2.31742592 -0.82818226 1.2169999999E-9 2.72E-9 6.083E-9 1.36E-8 3.041E-8 6.801E-8 1.521E-7 3.4E-7 7.6029999999E-7 0.0000016999999999 0.0000038019999999 0.0000085009999999 0.00001901 0.000042499999999 0.00009504 108-39-4 342 144209139 A A m-Cresol Cc1cc(O)ccc1 Tox21_201941 -NCGC00259455-01 196706843 tox21-ror-cho-viability-p1 set1 4 -6.05197396 -2.1579421 -9.13780473 -8.48703127 -3.74615984 -7.46828747 -4.9969031 -5.59206772 0.33829257 -8.26873356 6.49078011 -8.98063153 -14.81112499 -15.69031716 -21.93841501 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.625E-8 1.481E-7 3.3129999999E-7 7.407E-7 0.000001656 0.000003704 0.000008281 0.00001852 0.000041409999999 0.000092589999999 612-83-9 11933 144209104 A A 3,3'-Dichlorobenzidine dihydrochloride Cl.Cl.Nc1ccc(cc1Cl)c2ccc(N)c(Cl)c2 Tox21_201906 -NCGC00259721-01 196706852 tox21-ror-cho-viability-p1 set1 1.4 0.0539290828 22.196106104 -24.696106104 -2.5 0.4 0.7061609807 0.0438726093 -20.58817275 -15.5871471 -23.08008842 -18.02354231 -16.28499735 -7.32167411 -12.73723869 -11.19590147 -11.00966056 -3.51851643 -0.99433469 -10.95734867 -7.9228991 0.1585778 -10.25738825 1.1699999999E-9 2.6159999999E-9 5.851E-9 1.3079999999E-8 2.925E-8 6.5409999999E-8 1.463E-7 3.271E-7 7.3129999999E-7 0.000001635 0.000003657 0.000008176 0.00001828 0.00004088 0.00009141 24851-98-7 102861 144209370 A A Methyl dihydrojasmonate COC(=O)CC1CCC(=O)C1CCCCC Tox21_202172 -NCGC00256493-01 196707258 tox21-ror-cho-viability-p1 set1 4 0.97756081 0.37534546 0.62063661 -0.93572322 1.10359762 5.53717104 2.47183352 -0.88634245 6.07775691 4.4511725 3.77750887 6.60841757 2.49070217 2.59658799 -0.78281706 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 3883-43-0 5284382 144213123 Z F 2,3-Dichloro-p-dioxane Cl[C@H]1OCCO[C@@H]1Cl Tox21_302806 -NCGC00357165-01 196703954 tox21-ror-cho-viability-p1 set1 4 3.8570778872 5.1933345 -1.1933345 4 3.9899729863 0.3710870609 0.3016489184 0.31526901 -3.44980326 -0.67720498 0.33130927 0.9881521 -0.05047625 -1.23265004 -2.28784989 4.6157642 -9.32777875 1.76239648 4.15802459 3.47957434 2.54230192 6.076274 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16409-43-1 27866 251919876 4-Methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran CC1CC(C=C(C)C)OCC1 Tox21_303917 -NCGC00260311-01 196703546 tox21-ror-cho-viability-p1 set1 -2.4 69.0781761974 -24.836215428 -2.92693418 -27.763149608 3.5722481694 0.8909575211 0.0005001851 -2.26491579 -5.86743945 -1.34106276 -1.27758399 -4.09872095 -2.706359 -0.77244515 -1.17131033 -2.41983538 -5.62964811 -2.34261571 -5.30119322 -1.37183424 -6.35921233 -21.46929134 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.635E-8 1.484E-7 3.317E-7 7.4179999999E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.000041469999999 0.000092719999999 68937-41-7 75628 144209962 F F Triisopropylated phenyl phosphate CC(C)c1ccc(cc1)OP(=O)(Oc2ccc(cc2)C(C)C)Oc3ccc(cc3)C(C)C Tox21_202764 -NCGC00163930-04 196703553 tox21-ror-cho-viability-p1 set1 4 2.40602225 5.31456741 2.78231614 0.0781865 1.39930833 1.84904389 9.20548876 4.8560816 1.21818697 5.17427497 6.08386268 0.25495725 4.54196157 -0.41906719 2.79723424 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00260635-01 196703556 tox21-ror-cho-viability-p1 set1 4 0.61593432 -0.21669668 2.23450925 3.35036796 5.32883983 -1.64668757 8.19647042 -0.35663912 1.50656547 3.88901822 8.84031583 3.02776609 2.98698707 0.11065845 3.09489254 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49531 144210288 M M NTP Mix111 ER1 10-EQC Tox21_203090 -NCGC00260113-01 196703959 tox21-ror-cho-viability-p1 set1 4 -0.19865879 5.57848861 -1.01211846 0.09070866 1.18856155 1.52469422 4.64767649 1.28086467 -0.9504611 0.59096754 -1.45126802 0.51916283 -1.09817121 0.49792185 -3.46913743 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.9409999999E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.0000411 0.00009189 5039-78-1 78738 144209762 Fns (2-(Methacryloyloxy)ethyl)trimethylammonium chloride [Cl-].C[N+](C)(C)CCOC(=O)C(=C)C Tox21_202564 -NCGC00260344-01 196724413 tox21-ror-cho-viability-p1 set3 4 6.8450141225 6.620166976 -0.620166976 6 4.9549173134 0.4031028197 0.2699573057 -7.18347248 3.80036969 0.148937 -5.82471803 -0.60214891 4.69748457 -1.27354772 4.44597598 -0.76340267 -0.554068 -2.78239432 4.91251086 4.48336041 3.95363605 9.57044206 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009203 143314-14-1 16211072 144209996 A 1-Ethyl-3-methylimidazolium nitrate O=[N+]([O-])[O-].C[n+]1ccn(CC)c1 Tox21_202798 -NCGC00256027-01 196727841 tox21-ror-cho-viability-p1 set3 4 7.6958821542 -9.2910369 -1.5 -10.7910369 2.0478617061 0.4200409998 0.2530047564 0 -0.74962483 -5.05034893 1.2983746 -2.00873186 -2.77021326 -6.45298143 6.26652196 -8.12155357 7.15134603 -7.77699498 -4.75629042 -10.80252532 -8.92943346 -11.49253075 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2457-01-4 102821 144211942 A Barium bis(2-ethylhexanoate) [Ba+2].[O-]C(=O)C(CC)CCCC.CCC(CCCC)C([O-])=O Tox21_301625 -NCGC00257388-01 196727416 tox21-ror-cho-viability-p1 set3 4 0.44230544 0.12503633 1.08474932 -0.68843728 -0.35246645 0.85648845 2.24456934 2.24823565 3.96746631 0.2914334 5.69276794 0.38710791 1.75653322 0.98204207 1.09688739 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1124-64-7 2734171 144213811 A N-Butylpyridinium chloride [Cl-].CCCC[n+]1ccccc1 Tox21_303503 -NCGC00256674-01 196727420 tox21-ror-cho-viability-p1 set3 4 -0.56074398 2.80942563 -4.78909198 2.81778369 -5.1336806 -1.14934415 -3.87173586 -1.62972312 0 -3.40281971 0 -4.19722696 -5.49721764 -3.99702976 1.45691899 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-14-0 8834 144212996 A Ac Citronellyl propionate C\C(C)=C\CCC(C)CCOC(=O)CC Tox21_302679 -NCGC00255974-01 196727823 tox21-ror-cho-viability-p1 set3 1.2 3.4376242854 30.272598388 3.227401612 33.5 1.0999999999 0.773460518 0.0197556633 -5.64383199 9.00615682 -1.31179848 2.4358016 5.92194638 5.45076036 6.90854014 12.7867451 0.97655046 9.19347369 18.84043894 31.83832082 22.55362441 27.79645432 1.62516733 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.000003688 0.000008248 0.00001844 0.00004124 0.000092209999999 144-49-0 5237 144212746 A A Fluoroacetic acid FCC(=O)O Tox21_302429 -NCGC00091253-05 196727844 tox21-ror-cho-viability-p1 set3 4 0.0083721579 -10.5515494559 5 -5.5515494559 4.9549173134 0.568081544 0.1365088864 -0.32031477 9.68538824 4.08508532 -6.41234948 -10.51055351 -0.40869723 -3.61812189 -6.45988791 -11.29295788 -4.86046556 -5.89124676 -0.66856623 -3.95420056 -4.85136811 4.25541008 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00255492-01 196728240 tox21-ror-cho-viability-p1 set3 4 -22.86617211 2.49217196 -0.21530671 -2.04244956 2.96631474 1.34981297 3.4903132 -6.05975038 3.06495151 -1.00225116 2.33461176 -1.10039209 -4.86818681 -0.5865102 2.73451045 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 118-69-4 8368 144212366 Ac Fc 2,6-Dichlorotoluene Clc1cccc(Cl)c1C Tox21_302049 -NCGC00016507-05 196697944 tox21-ror-cho-viability-p1 set1 -2.1 29.8492948118 -116.0722541601 1.7571475929 -114.3151065672 2.3531167061 0.9920237744 2E-10 0.67778776 3.68175471 0.4087562 0.77157852 0.52237354 2.67245215 5.82617061 5.7506858 0.09695117 0.87721151 3.25533812 0.21576691 -7.36410802 -31.70814999 -86.60235346 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 553-08-2 11102 170465335 A Thonzonium bromide [Br-].COc1ccc(cc1)CN(CC[N+](C)(C)CCCCCCCCCCCCCCCC)c2ncccn2 Tox21_110463_1 -NCGC00260103-01 196724096 tox21-ror-cho-viability-p1 set3 4 0.0034341287 6.964235736 -4.964235736 2 3.5117481694 0.3532544797 0.3352983115 -4.55352978 -3.18509856 1.53313056 0.36160409 6.81160729 4.60780152 5.23255035 2.68043102 -1.58369902 -2.54747321 5.33346312 -0.15496606 -1.19852232 0.78774607 7.6524535 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 25167-70-8 7868 144209752 F 2,4,4-Trimethylpentene C=C(C)CC(C)(C)C Tox21_202554 -NCGC00260197-01 196724121 tox21-ror-cho-viability-p1 set3 4 -1.54284606 -0.791849 2.21194919 -9.81385259 -1.09247892 -9.04618907 -0.73629428 -1.5452506 -2.35282717 -1.63632449 1.5541473 -2.28362801 -4.11541318 -1.16759216 -0.13424051 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.0000036909999999 0.000008252 0.000018449999999 0.000041259999999 0.00009226 382150-50-7 10411334 144209847 A A 1-Hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C[n+]1ccn(CCCCCC)c1 Tox21_202649 -NCGC00159430-04 196697942 tox21-ror-cho-viability-p1 set1 4 -0.25795058 3.89706693 0.46130048 -2.8475415 3.7456616 2.89153109 1.9049962 2.41286918 0.60889927 3.09628373 5.85751546 6.80740648 3.91532203 4.08879116 2.74379597 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56-29-1 3608 170465860 A Hexobarbital CC1(C(=O)N=C(O)N(C)C1=O)C2=CCCCC2 Tox21_111661_1 -NCGC00261977-01 196697952 tox21-ror-cho-viability-p1 set1 4 26.6032120037 7.567188732 -2.067188732 5.5 4.9549173134 0.4209235576 0.2556648742 -4.90916872 -2.50854183 -2.59248668 -1.26630727 -2.31966219 -3.50700127 1.61177981 0.16336308 -2.2228136 -0.39027273 1.95105952 -3.08553849 -6.30599061 -0.14873632 5.21182999 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6506-37-2 23009 170466578 A F Nimorazole [O-][N+](=O)c2cncn2CCN1CCOCC1 Tox21_113897 -NCGC00179658-04 196698364 tox21-ror-cho-viability-p1 set1 4 -0.82239615 -2.82169852 -1.37611809 2.47611949 -0.25427478 -2.60573494 0.5826127 -2.88678325 -4.15663003 -0.88898773 -2.85936039 2.7064107 -0.57510844 -0.02745529 -4.54836033 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 152-72-7 54676537 170465636 A Acenocoumarol [O-][N+](=O)c1ccc(cc1)C(CC(C)=O)C2=C(O)c3ccccc3OC2=O Tox21_110430_1 -NCGC00263480-01 196697953 tox21-ror-cho-viability-p1 set1 4 37.5780357627 -10.247149828 1.5 -8.747149828 4.9549173134 0.4434240682 0.2334857845 1.41064063 2.98015127 -1.55313972 -1.57313797 0.14258053 0.1616795 0.16080431 6.08878077 1.99734503 2.660011 6.11395894 2.7971344 0.01407131 2.5480978 -6.45595819 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71-58-9 6279 170464622 A Medroxyprogesterone acetate CC(=O)[C@@]3(OC(C)=O)CC[C@H]2[C@@H]4C[C@H](C)C1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_111319_1 -NCGC00160661-02 196697964 tox21-ror-cho-viability-p1 set1 4 1.62981718 2.40158359 1.00124323 1.40467006 5.84252476 1.39395099 0.47261693 -0.22221169 1.55542403 0.65413417 -0.6301732 0.60084968 -0.5233925 -0.34760019 0.51449947 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66871-56-5 47510 170466410 A Lidamidine O=C(Nc1c(C)cccc1C)NC(=N)NC Tox21_113641_1 -NCGC00163910-05 196698362 tox21-ror-cho-viability-p1 set1 4 29.8492948118 9.0103923719 -1.5103923719 7.5 4.9549173134 0.6160395483 0.0879282567 -1.03888989 0.81145772 -0.33278328 -4.90444932 -2.62641608 -5.00866031 -1.61822299 -0.50525016 -0.35992673 -3.17951524 -0.19527901 -0.85777217 -1.57005661 -0.28790902 6.50875867 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3383-96-8 5392 170466375 A Temephos COP(=S)(OC)Oc1ccc(cc1)Sc2ccc(cc2)OP(=S)(OC)OC Tox21_112075_1 -NCGC00254489-01 196698776 tox21-ror-cho-viability-p1 set1 -3 56.0250064492 -75.0173029006 -1.361807595 -76.3791104956 4.0949729863 0.9779857287 8.27E-8 -2.21041408 -1.8376656 0.06021533 -2.14987267 -4.95436289 -1.02390095 -0.72112787 0.16005879 -0.03263748 -0.02473698 0.92698067 2.60290889 -7.28512513 -9.96449002 -61.01516706 9.969E-10 2.229E-9 4.9839999999E-9 1.1149999999E-8 2.492E-8 5.573E-8 1.246E-7 2.786E-7 6.23E-7 0.000001393 0.000003115 0.000006966 0.00001558 0.00003483 0.000077879999999 50-55-5 5770 144210855 A A Reserpine COc1cc(cc(OC)c1OC)C(=O)O[C@@H]3C[C@@H]4CN5CCc2c6ccc(OC)cc6nc2[C@H]5C[C@@H]4[C@@H]([C@H]3OC)C(=O)OC Tox21_300537 -NCGC00254216-01 196698784 tox21-ror-cho-viability-p1 set1 4 -1.47464568 -1.83486832 -4.72614201 -0.29383007 -1.16272517 -1.28637471 -2.21243124 1.38281689 -0.20212602 1.76952874 -3.4972525 -3.39870521 -1.59327771 -3.1850665 -0.02850799 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-05-2 126941 144210589 A B Methotrexate O=C(O)[C@H](CCC(=O)O)NC(=O)c1ccc(cc1)N(C)Cc2nc3c(nc2)nc(N)nc3N Tox21_300269 -NCGC00253916-01 196698798 tox21-ror-cho-viability-p1 set1 4 0.3848694 0.81315525 0.97777313 -0.25182906 0.31968884 0.17071048 -0.0888983 -0.61187216 -1.30073299 -0.05532075 -0.38711154 -1.6443182 1.69610059 -0.26360665 2.92132329 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66-27-3 4156 144210619 CC Methyl methanesulfonate CS(=O)(=O)OC Tox21_300299 -NCGC00090942-03 196711989 tox21-ror-cho-viability-p1 set2 4 -0.41975884 -5.07826754 -3.85787389 -4.40157841 -4.72879769 -33.93024209 0 -10.50894895 -10.2989462 -6.23444434 -10.70687555 -8.15003799 1.32853189 -1.20747372 -34.41298426 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00260230-01 196711582 tox21-ror-cho-viability-p1 set2 2.4 62.0019276794 31.367382156 0.632617844 32 1.4641 0.8886271682 0.0005521228 -1.13948513 -0.32892623 0.38732438 -0.11679612 -1.08064454 4.16605378 -0.81728393 3.62388108 0.84702296 3.49642674 0.63286701 4.44663118 4.12622017 9.0956871 24.37151687 1.194E-9 2.6689999999E-9 5.968E-9 1.335E-8 2.9839999999E-8 6.6729999999E-8 1.4919999999E-7 3.3359999999E-7 7.4599999999E-7 0.000001668 0.00000373 0.0000083409999999 0.00001865 0.0000417 0.000093249999999 845835-03-2 57358854 144209880 A A 1-Butyl-3-methylpyridinium hexafluorophosphate Cc1ccc[n+](CCCC)c1.F[P-](F)(F)(F)(F)F Tox21_202682 -NCGC00260318-01 196711587 tox21-ror-cho-viability-p1 set2 4 -0.79315211 -1.11389147 -17.90683879 -12.4428803 -14.96802527 -8.01858476 0 -13.07565139 0 -5.21279252 0.56136634 0 -13.47263797 -3.60958891 -20.84425858 5.71E-11 1.2769999999E-10 2.855E-10 6.384E-10 1.427E-9 3.1919999999E-9 7.137E-9 1.596E-8 3.569E-8 7.9799999999E-8 1.7839999999E-7 3.99E-7 8.9219999999E-7 0.000001995 0.000004461 6923-52-0 23354 144209969 A Acetic acid, antimony(3+) salt [SbH3+3].O=C([O-])C.[O-]C(C)=O.[O-]C(C)=O Tox21_202771 -NCGC00357277-01 196711589 tox21-ror-cho-viability-p1 set2 4 76.9588215421 17.956088328 1.043911672 19 4.9549173134 0.8128554632 0.0061071567 3.61656277 0.16157234 3.38996621 0.74769101 1.84726374 3.49091158 2.89567115 1.73044691 -1.21340694 -0.49121742 1.31956783 -0.62133435 0.3047734 -0.04481961 14.78473167 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1752-30-3 2770166 251919796 A Acetone thiosemicarbazide C/C(C)=N\NC(N)=S Tox21_304003 -NCGC00257129-01 196708270 tox21-ror-cho-viability-p1 set1 4 4.42707951 5.20084481 0.50768963 3.11666199 2.93244493 -2.96192631 2.336333 2.74053703 -2.09026557 4.51645082 -1.27548537 8.89864684 -1.34284441 -0.83392196 0.45506917 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-92-1 23662383 144213524 Ac Sodium ethasulfate [Na+].O=S([O-])(=O)OCC(CCCC)CC Tox21_303207 -NCGC00257182-01 196707441 tox21-ror-cho-viability-p1 set1 4 -0.8561778 -0.34732568 0.97422714 2.8236164 0.67898219 2.44171593 2.27497556 2.5662179 -0.62638846 -1.10027492 -0.90939827 4.92033335 2.51887255 2.81116654 5.49403153 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 372-09-8 9740 144213472 A A Cyanoacetic acid N#CCC(=O)O Tox21_303155 -NCGC00256397-01 196707454 tox21-ror-cho-viability-p1 set1 4 -10.77418385 -13.23680675 -11.95808691 -3.71083021 -7.24946248 -7.61856414 -9.64439635 -7.20485783 -8.54101386 -12.45192867 -14.2353324 -14.93198402 -12.02075938 -6.00235279 -4.00163713 1.203E-9 2.6909999999E-9 6.0159999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 760-23-6 12971 144213131 Fns 3,4-Dichloro-1-butene C=CC(Cl)CCl Tox21_302814 -NCGC00095042-06 196707865 tox21-ror-cho-viability-p1 set1 4 7.0471749 3.82405993 1.88870496 1.39108642 0.05499859 2.15022923 2.79996438 1.51034122 10.92539754 0.96090203 2.77860955 7.96210591 2.24055015 4.35240088 7.03791313 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.891E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003852 0.000008614 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00256774-01 196708271 tox21-ror-cho-viability-p1 set1 4 2.63642101 0.93930789 -0.07448869 0.65593931 3.24983612 0.75498846 8.45353703 -6.82145635 0.24623769 0.79972987 0.24090658 -0.80056385 1.09348873 0.05068704 4.70602211 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 67715-80-4 101010 144213930 Ac 2-Methyl-4-propyl-1,3-oxathiane CC1OCCC(CCC)S1 Tox21_303625 -NCGC00256547-01 196708277 tox21-ror-cho-viability-p1 set1 4 -0.93429601 -0.90708171 1.52221496 2.05643229 -0.26038394 2.16354117 -1.03455026 5.68586439 2.65931347 1.32222987 2.28359348 -1.05114884 -0.91865644 -0.39841198 0.367095 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 544-63-8 11005 144213098 A A Tetradecanoic acid O=C(O)CCCCCCCCCCCCC Tox21_302781 -NCGC00256761-01 196708281 tox21-ror-cho-viability-p1 set1 4 0.0034376243 -12.0443964039 9 -3.0443964039 0.6999999999 0.3521249171 0.3190489521 7.27356554 -0.09823488 2.87979852 1.28983955 -1.13640702 -3.12584649 0.52824264 -0.40254185 -3.3306387 -9.94516946 -10.45366367 0.06049542 1.52265317 -0.26238062 -1.13845622 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1577-03-3 5388510 144212842 A A 1-(4-Chlorophenyl)-4,4-dimethylpent-1-en-3-one Clc1ccc(/C=C/C(=O)C(C)(C)C)cc1 Tox21_302525 -NCGC00259123-01 196708681 tox21-ror-cho-viability-p1 set2 4 30.7313538754 -10.4992053079 -1.5 -11.9992053079 4.5044702849 0.8474359886 0.0024847484 1.17518934 -2.08604128 -2.5906613 -3.28955994 -2.86689437 -0.77144517 -1.62866834 -1.97222123 -1.2347821 -2.00360305 1.02839186 1.23756257 -2.7319308 -9.63468728 -12.08267109 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 82558-50-7 73672 144208772 A A Isoxaben CCC(C)(CC)c2cc(NC(=O)c1c(OC)cccc1OC)on2 Tox21_201574 -NCGC00258961-01 196708682 tox21-ror-cho-viability-p1 set2 4 2.23712153 -0.4748099 7.09365731 -0.95659673 2.15147032 1.63270427 2.85786566 -0.96429313 2.2137976 3.58901798 7.57093369 4.29370523 4.70801591 5.7543957 0.367956 1.177E-9 2.631E-9 5.884E-9 1.316E-8 2.942E-8 6.579E-8 1.471E-7 3.289E-7 7.355E-7 0.000001645 0.0000036779999999 0.000008223 0.00001839 0.000041119999999 0.000091939999999 95-57-8 7245 144208608 A A 2-Chlorophenol Oc1ccccc1Cl Tox21_201410 -NCGC00259344-01 196706033 tox21-ror-cho-viability-p1 set1 4 0.0974768815 -5.557032816 7 1.442967184 1.6266150999 0.4926777332 0.1866377035 1.28530684 12.20453278 8.09884879 5.0050954 9.24326852 3.22705455 4.64730689 0.89373873 0.23433645 0.80074964 2.67900639 3.34891172 -0.88086068 0.30556131 3.55050575 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 76-25-5 6436 144208993 A A Triamcinolone acetonide OCC(=O)[C@@]54OC(C)(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_201795 -NCGC00258918-01 196705626 tox21-ror-cho-viability-p1 set1 4 7.7115374479 -9.999574024 1.5 -8.499574024 4.9549173134 0.7013802042 0.0376888839 0.17437881 5.09494768 -4.25723025 -0.24750596 -0.60840318 4.1523964 2.8909744 0.3467875 2.64080632 2.77285744 5.58840218 -4.26208146 -7.33086203 -5.94194577 -12.49964502 1.182E-9 2.6429999999E-9 5.91E-9 1.322E-8 2.955E-8 6.608E-8 1.4779999999E-7 3.304E-7 7.388E-7 0.0000016519999999 0.0000036939999999 0.0000082599999999 0.000018469999999 0.000041299999999 0.00009235 50-22-6 5753 144208564 A A Corticosterone OCC(=O)[C@H]4CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_201366 -NCGC00259419-01 196706029 tox21-ror-cho-viability-p1 set1 4 0.0194491948 10.572632536 -9.072632536 1.5 4.9549173134 0.5614118611 0.1263948124 -8.56509618 -7.26042354 -4.66863319 -15.47719378 5.78283381 0.98552565 -0.61144963 0.81680499 5.96234246 -1.13455002 -0.66155323 -0.12050135 -5.29573801 5.72402574 5.16433703 1.1859999999E-9 2.6519999999E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001853 0.000041439999999 0.000092669999999 56-04-2 667493 144209068 A A 6-Methyl-2-thiouracil O=C1C=C(C)NC(=S)N1 Tox21_201870 -NCGC00259275-01 196706050 tox21-ror-cho-viability-p1 set1 4 8.08625942 9.6867254 -21.97115072 -0.48453949 3.41668987 6.16959126 1.40343616 2.3745763 4.33896812 -1.53923003 1.35729205 1.3242269 0.17856676 -0.77915127 2.81396305 1.177E-9 2.631E-9 5.883E-9 1.316E-8 2.942E-8 6.578E-8 1.471E-7 3.289E-7 7.354E-7 0.0000016439999999 0.0000036769999999 0.0000082219999999 0.00001839 0.00004111 0.00009193 107-04-0 7849 144208924 AC Ac 1-Chloro-2-bromoethane BrCCCl Tox21_201726 -NCGC00259946-01 196706445 tox21-ror-cho-viability-p1 set1 4 -0.38474511 10.10168691 0.85841621 0.71838445 -0.74748322 -2.35179537 -0.46062957 -1.06458417 12.02683151 2.32786325 1.96044048 -1.76579526 -1.59522153 -3.72613412 -1.25743218 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 148-79-8 5430 144209595 A A Thiabendazole n1c3ccccc3nc1c2cscn2 Tox21_202397 -NCGC00259803-01 196706453 tox21-ror-cho-viability-p1 set1 4 2.06971567 -6.72619078 -0.88178948 7.71942214 2.5016612 2.73414975 -4.78280611 5.20384198 0.40243728 -11.08475487 6.23162501 -0.47989199 0.40488829 0.19906374 1.43213753 1.1919999999E-9 2.6659999999E-9 5.9609999999E-9 1.333E-8 2.98E-8 6.664E-8 1.49E-7 3.332E-7 7.451E-7 0.0000016659999999 0.000003726 0.0000083309999999 0.00001863 0.000041649999999 0.000093139999999 88-44-8 6934 144209452 A A 2-Amino-5-methylbenzenesulfonic acid Nc1ccc(C)cc1S(O)(=O)=O Tox21_202254 -NCGC00258973-01 196706863 tox21-ror-cho-viability-p1 set1 4 6.06546651 2.66603345 5.47867911 11.08091532 2.55487113 1.66449096 0.35521553 3.26966019 -3.30496629 9.85558042 0.00567769 2.33307148 -1.62265246 0.10473078 1.28831668 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.9479999999E-8 6.591E-8 1.474E-7 3.296E-7 7.369E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 142-16-5 5365125 144208620 A Ac Bis(2-ethylhexyl) maleate O=C(\C=C/C(=O)OCC(CC)CCCC)OCC(CCCC)CC Tox21_201422 -NCGC00259357-01 196706862 tox21-ror-cho-viability-p1 set1 4 0.0190758996 6.4769733559 -4.4769733559 2 4.9549173134 0.3430539082 0.3273855009 -2.8535291 3.03368552 -12.48081113 -5.4930362 2.5304727 2.68231984 1.33999857 0.45902839 5.13957443 8.72443422 0.06789332 0.4413195 -0.97198688 -2.26725278 2.7830206 1.167E-9 2.609E-9 5.8339999999E-9 1.304E-8 2.917E-8 6.522E-8 1.458E-7 3.261E-7 7.2919999999E-7 0.000001631 0.000003646 0.000008153 0.00001823 0.000040759999999 0.00009115 1077-28-7 864 144209006 A A alpha-Lipoic acid O=C(O)CCCCC1CCSS1 Tox21_201808 -NCGC00258838-01 196706865 tox21-ror-cho-viability-p1 set1 4 -11.11247577 -7.38381972 -7.08085384 -11.41974991 -9.80208436 -1.63490996 -0.8810681 -5.25841484 -4.17378681 -9.80088219 4.80464258 -2.37449172 -4.84313869 -5.09018487 -2.59256498 1.1529999999E-9 2.5769999999E-9 5.7629999999E-9 1.289E-8 2.8819999999E-8 6.444E-8 1.441E-7 3.2219999999E-7 7.204E-7 0.000001611 0.0000036019999999 0.000008054 0.00001801 0.00004027 0.00009005 6728-26-3 5281168 144208484 AC Fc (2E)-2-Hexenal CCC\C=C\C=O Tox21_201286 -NCGC00259700-01 196706872 tox21-ror-cho-viability-p1 set1 4 0.2386704565 5.71199256 -4.21199256 1.5 4.5044702849 0.5139702511 0.1673273672 -4.36766811 0.5783645 -8.0436927 -4.13176734 -0.29305416 -8.5099938 -3.29343113 -0.00418786 3.26212061 0 -2.17900707 1.41743914 4.90900558 0.51742471 3.61911678 1.1609999999E-9 2.5959999999E-9 5.805E-9 1.298E-8 2.9019999999E-8 6.4899999999E-8 1.451E-7 3.245E-7 7.256E-7 0.000001622 0.000003628 0.000008112 0.00001814 0.00004056 0.0000907 759-73-9 12967 144209349 FNS 1-Ethyl-1-nitrosourea NC(=O)N(CC)N=O Tox21_202151 -NCGC00259685-01 196706876 tox21-ror-cho-viability-p1 set1 4 -5.93620567 -1.20823132 -1.34507524 -2.23551663 -5.22410423 -1.29106468 -5.01631069 -12.3453739 -5.65204246 0 -4.0119902 -6.67981945 1.30562211 0.32610935 0.81791523 1.187E-9 2.653E-9 5.9329999999E-9 1.327E-8 2.966E-8 6.633E-8 1.4829999999E-7 3.317E-7 7.416E-7 0.0000016579999999 0.000003708 0.000008291 0.00001854 0.00004146 0.0000927 140-08-9 8783 144209334 D Tris(2-chloroethyl) phosphite ClCCOP(OCCCl)OCCCl Tox21_202136 -NCGC00258935-01 196705638 tox21-ror-cho-viability-p1 set1 4 -0.22520639 1.15015148 0.01024368 -0.71498454 -0.67736302 1.35988249 1.05109692 1.20410076 -1.22063565 0.9702427 2.48416475 0.11487008 0.2369337 2.69074434 -2.74755719 1.195E-9 2.671E-9 5.973E-9 1.336E-8 2.986E-8 6.678E-8 1.493E-7 3.3389999999E-7 7.466E-7 0.000001669 0.000003733 0.000008347 0.00001867 0.00004174 0.000093329999999 15687-27-1 3672 144208582 A A Ibuprofen CC(C(=O)O)c1ccc(CC(C)C)cc1 Tox21_201384 -NCGC00091205-03 196730325 tox21-ror-cho-viability-p1 set3 4 -0.24174765 -8.89849161 -0.24644549 -6.56320092 -7.0465303 -5.85732366 -5.38489793 -4.17880118 -4.81865499 -1.06093702 -0.2290225 0.63136413 -4.48888439 -6.25459701 1.11293573 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00258216-01 196730330 tox21-ror-cho-viability-p1 set3 4 -4.19422012 -3.09141476 -4.62492686 -2.405493 -1.42296514 -3.66661221 -1.78861325 -1.63015322 -17.51136567 2.64519091 -11.79375623 -6.69810037 -5.2736155 -3.75239095 -6.05914994 1.155E-9 2.582E-9 5.7739999999E-9 1.291E-8 2.887E-8 6.456E-8 1.444E-7 3.2279999999E-7 7.2179999999E-7 0.000001614 0.0000036089999999 0.00000807 0.000018049999999 0.00004035 0.00009023 144-79-6 67349 144207860 A A Chloro(methyl)diphenylsilane C[Si](Cl)(c1ccccc1)c2ccccc2 Tox21_200662 -NCGC00257656-01 196730338 tox21-ror-cho-viability-p1 set3 4 -2.1674042 -2.97171111 -3.53710324 -1.02878525 -0.05524722 -0.6338486 0.15644802 -0.556202 0.389305 0.28147684 0.39566079 2.2283321 2.76425289 4.03394802 4.68801544 1.194E-9 2.6689999999E-9 5.969E-9 1.335E-8 2.9839999999E-8 6.6729999999E-8 1.4919999999E-7 3.337E-7 7.4609999999E-7 0.000001668 0.0000037309999999 0.000008342 0.00001865 0.00004171 0.00009326 103-63-9 7666 144207300 C Phenethyl bromide BrCCc1ccccc1 Tox21_200102 -NCGC00257668-01 196702107 tox21-ror-cho-viability-p1 set1 4 27.7230805233 -21.3745661399 -0.349328836 -21.7238949759 0.2 0.3391875955 0.330694449 -0.70777403 -6.50039429 -4.557626 -2.05795031 -3.29922577 -4.76084434 -3.47994146 -15.70747478 -4.68253289 -1.10146823 -17.26991248 -6.0125244 -6.18549657 -14.04895015 -14.03106915 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.679E-8 1.493E-7 3.3389999999E-7 7.467E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004174 0.00009334 14433-76-2 26690 144207312 A A N,N-Dimethyldecanamide CN(C)C(=O)CCCCCCCCC Tox21_200114 -NCGC00258747-01 196701695 tox21-ror-cho-viability-p1 set1 4 -0.10119234 0.61728508 1.75312602 3.8961832 0.27777484 7.62387694 9.05360431 0.38189557 1.43534331 1.637864 1.64124894 0.97785789 -0.00536641 2.42670364 5.59890165 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.551E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.000003662 0.0000081889999999 0.00001831 0.00004095 0.00009156 83-66-9 6753 144208393 A Ac Musk ambrette COc1c(cc(c(C)c1[N+]([O-])=O)[N+]([O-])=O)C(C)(C)C Tox21_201195 -NCGC00258294-01 196701702 tox21-ror-cho-viability-p1 set1 4 1.81677851 4.54372573 2.76953545 -1.45689418 -1.61330487 -0.97488209 2.11671731 -2.28223578 6.4912088 1.79951979 4.16791382 -1.72345602 -2.05682095 -1.32667932 2.60744183 1.167E-9 2.609E-9 5.8329999999E-9 1.304E-8 2.917E-8 6.522E-8 1.458E-7 3.261E-7 7.2909999999E-7 0.0000016299999999 0.000003646 0.000008152 0.00001823 0.000040759999999 0.00009114 595-37-9 11684 144207938 A A 2,2-Dimethylbutanoic acid CC(C)(CC)C(=O)O Tox21_200740 -NCGC00258019-01 196701709 tox21-ror-cho-viability-p1 set1 4 0.38516954 -0.22429225 1.3948829 1.67650808 2.41714462 2.97749824 2.21272345 -7.52506707 -0.50529858 0.66975458 0.7855905 -0.69298614 0.1617806 1.50516399 5.3238801 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.679E-8 1.494E-7 3.34E-7 7.468E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004175 0.000093349999999 25973-55-1 33263 144207663 FNS 2-(2H-Benzotriazol-2-yl)-4,6-bis(1,1-dimethylpropyl)phenol CC(C)(CC)c1cc(c(O)c(c1)C(C)(C)CC)n2nc3ccccc3n2 Tox21_200465 -NCGC00258042-01 196702115 tox21-ror-cho-viability-p1 set1 4 -0.35272142 -1.28844306 0.91549335 5.44529202 2.26549705 1.95806961 8.26248416 2.81676675 5.31301066 -0.53327265 -9.09279543 0.16758298 1.86298157 2.23003393 5.46595807 1.1919999999E-9 2.6659999999E-9 5.9609999999E-9 1.333E-8 2.98E-8 6.664E-8 1.49E-7 3.332E-7 7.451E-7 0.0000016659999999 0.000003725 0.00000833 0.00001863 0.000041649999999 0.00009313 10326-27-9 5284346 144207686 Barium chloride dihydrate [Ba+2].[Cl-].[Cl-].O.O Tox21_200488 -NCGC00258071-01 196702117 tox21-ror-cho-viability-p1 set1 4 2.98377104 2.72064917 2.44513663 -1.30744026 3.19085548 -1.93919234 3.17328375 -2.01432502 2.16546688 0.59165278 -1.11948337 1.88271322 1.02034415 4.67949857 -0.41676073 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.000041429999999 0.000092629999999 540-23-8 10891 144207715 A A 4-Methylaniline hydrochloride Cl.Cc1ccc(N)cc1 Tox21_200517 -NCGC00260056-01 196724732 tox21-ror-cho-viability-p1 set3 -1.1 3.648430034 -73.4465880809 2.565578965 -70.8810091159 1.826479391 0.9707110336 4.233E-7 -2.06131737 0.69046908 -2.68041439 4.4962794 0.43354921 -0.29515459 3.20353029 1.92730491 10.69336942 -9.65083087 -42.18415947 -53.21931153 -58.52207175 -73.48153973 -73.65084093 1.2399999999E-9 2.7739999999E-9 6.202E-9 1.387E-8 3.101E-8 6.934E-8 1.55E-7 3.467E-7 7.752E-7 0.000001733 0.000003876 0.000008667 0.000019379999999 0.00004334 0.0000969 11024-24-1 6537502 144209705 Digitonin [H][C@@]12O[C@]3(CC[C@@]([H])(C)CO3)[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]3([H])[C@@]([H])(CC[C@@]4([H])C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)C[C@]34C)[C@]1([H])[C@@H]2O Tox21_202507 -NCGC00091044-02 196724307 tox21-ror-cho-viability-p1 set3 4 -2.41145103 -1.05062177 2.70497428 -1.97935461 -2.87314869 -5.61588965 -0.96452705 -3.29748679 -1.7111059 -3.95907939 -4.90292806 -3.25081834 -1.61592538 -4.97661601 1.61889199 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00260399-01 196724324 tox21-ror-cho-viability-p1 set3 4 -4.90319499 0.28128051 1.79412457 -3.18499624 2.29071947 -0.57280138 3.55960125 1.51585289 -4.16970403 4.30071269 1.88051379 3.09836392 1.76866292 2.35386581 3.91838991 1.185E-9 2.649E-9 5.923E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 600-22-6 11748 144210051 C Methylpyruvate CC(=O)C(=O)OC Tox21_202853 -NCGC00260602-01 196724725 tox21-ror-cho-viability-p1 set3 4 0.0007497804 14.132512052 -14.632512052 -0.5 4.9549173134 0.6158358899 0.0869798922 -11.36042671 -0.51199808 -1.34566405 -5.93618468 -1.91426259 0.67491737 -0.03777156 -0.99803443 -0.16783182 -4.47852769 0.68921699 1.55697398 1.72265759 1.80940802 0.45176468 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49498 144210255 M M NTP Mix5 AR1 8-EQC Tox21_203057 -NCGC00260223-01 196724741 tox21-ror-cho-viability-p1 set3 4 0.010937086 12.807256004 -12.807256004 0 3.1319983358 0.748023945 0.0201565617 -4.70107512 -17.75604667 -15.09144066 -3.02654924 0.0488058 0.22836158 -1.17619319 -0.5743896 1.33113117 -0.06955387 0.38721817 2.46488869 -1.28085146 -0.82937029 1.07473225 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.629E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008287 0.00001853 0.000041429999999 0.00009265 286453-46-1 60196389 144209873 A A 1-Butyl-2-methylpyridinium tetrafluoroborate Cc1cccc[n+]1CCCC.F[B-](F)(F)F Tox21_202675 -NCGC00255451-01 196710345 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -15.487954564 -2 -17.487954564 4.9549173134 0.6119477673 0.0892242271 -4.33300208 -6.5328626 1.12695396 -2.48320586 -2.01115138 -0.14416687 -6.38128713 -0.15490649 1.31620795 -2.99913832 1.04679424 1.16318826 -3.20664071 -2.12620426 -14.57329547 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 959-98-8 12309460 144211898 A Fns Endosulfan I ClC1=C(Cl)[C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)[C@H]2COS(=O)OC[C@H]23 Tox21_301581 -NCGC00163818-04 196709944 tox21-ror-cho-viability-p1 set2 -2.4 11.5931971609 -30.6417663519 3 -27.6417663519 0.4 0.8957978304 0.0003968765 2.14109328 0.76494026 4.06888144 2.78392296 -2.49958971 0.96596034 -3.49775604 -0.79820597 -4.8814464 -5.6528706 -14.5710884 -10.86915491 -10.6626556 -14.36060488 -20.95147196 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00255996-01 196709947 tox21-ror-cho-viability-p1 set2 4 76.9588215421 10.5106446879 -1.5106446879 9 4.9549173134 0.6869981292 0.0457584336 -1.99680019 -3.0338467 -3.77404607 0.95141155 -4.17553724 -0.89059442 -1.49783643 0.57994215 -1.33809424 -1.59612151 -1.2040667 -1.5156709 -0.57833824 -1.67486338 6.41427269 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5138-18-1 21220 144211916 A Ac Sulfosuccinic acid OC(=O)CC(C(=O)O)S(=O)(=O)O Tox21_301599 -NCGC00090789-02 196709950 tox21-ror-cho-viability-p1 set2 4 -1.48066734 1.82444475 0.66395411 0.80230291 -0.63163503 -0.32927562 2.45723779 -0.88871092 1.80405133 3.26159393 -0.85668247 0.06460263 2.22200722 1.21255946 1.60309212 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00256187-01 196710348 tox21-ror-cho-viability-p1 set2 4 4.70708933 0.43516253 2.81707233 1.40430458 -0.21191378 0.51436994 -0.89999036 0.81068168 2.69166005 0.2546669 -0.71472178 3.2023329 -0.55461878 1.8883413 0.52649702 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6770-38-3 81239 144211797 A A 1,4-Bis(methoxymethyl)benzene COCc1ccc(cc1)COC Tox21_301480 -NCGC00255939-01 196710349 tox21-ror-cho-viability-p1 set2 4 17.2289340586 -9.7131562079 2 -7.7131562079 1.9673362061 0.674186368 0.0512558538 8.10670521 0.29614756 -0.28825014 0.42342645 0.87010764 0.38014638 2.57601664 1.43558884 0.00252858 3.83311765 0.59407778 0.99252893 -4.46242438 -4.87975021 -8.09429684 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 61213-25-0 91677 144212576 A A Flurochloridone FC(F)(F)c1cccc(c1)N2CC(CCl)C(Cl)C2=O Tox21_302259 -NCGC00256980-01 196707896 tox21-ror-cho-viability-p1 set1 4 -4.95059409 -5.38949778 -14.4090123 -16.72551991 -11.67077549 -11.24005595 -9.33298874 -0.45713252 -15.26233094 -7.03003645 -11.35926461 -3.74428741 4.15796658 -14.27103833 -0.16122478 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-30-7 31344 144213615 A A 2,2-Dimethylpropane-1,3-diol CC(C)(CO)CO Tox21_303298 -NCGC00091532-04 196707889 tox21-ror-cho-viability-p1 set1 -2.4 49.1509036116 -37.5894639728 -9.59364898 -47.1831129528 0.5 0.6091437345 0.0903533564 -4.66137415 -9.59974348 -11.72582259 -15.97145396 -15.64070441 -18.22478994 -5.73027104 -11.22514279 -21.0014503 -17.78703182 -17.95895893 -9.5397461 -24.52100455 -26.57082858 -35.74478254 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00257066-01 196707891 tox21-ror-cho-viability-p1 set1 4 0.63487862 3.13253971 -0.2666185 -0.47220296 0.03803643 2.70402568 2.10766273 0.72113425 3.31408937 2.4349405 9.01357589 3.38346871 9.41347314 1.80887752 6.96659874 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1852-16-0 15817 144213438 A A N-(Butoxymethyl)acrylamide CCCCOCNC(=O)C=C Tox21_303121 -NCGC00256341-01 196707894 tox21-ror-cho-viability-p1 set1 4 -0.25751973 -5.86375652 -2.3019532 -6.20999174 2.6634519 0.12251848 -3.37015144 -2.50496567 0.65368289 0.70402481 2.01978914 -2.26187731 0.68370711 1.76214485 -9.01828528 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-76-1 7257 144213156 A A 3,4-Dichloroaniline Nc1cc(Cl)c(Cl)cc1 Tox21_302839 -NCGC00256589-01 196708291 tox21-ror-cho-viability-p1 set1 -1.1 10.8707224818 -98.3345893607 1.8321492539 -96.5024401068 1.8851180601 0.959216306 0.0000027271 -0.3328741 1.04956945 0.11271344 -1.10151505 -0.19942903 0.08521676 1.46478646 1.76717937 2.32439625 -0.90964309 -0.88308913 -21.35002039 -85.88081157 -89.35411121 -81.46230266 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 1461-25-2 15098 144213210 F F Tetrabutyltin CCCC[Sn](CCCC)(CCCC)CCCC Tox21_302893 -NCGC00257306-01 196708309 tox21-ror-cho-viability-p1 set1 4 0.0043277126 -11.990841096 -7.659061796 -19.649902892 0.7999999999 0.3834527848 0.2888438794 -9.71588483 -15.63405079 -11.48560656 -16.73688017 -19.06864272 -19.28413741 -13.30423789 -22.16878579 -23.45825241 -21.76233264 -21.15685973 -11.79839147 -15.13038447 -21.11960503 -22.26205913 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2467-02-9 75575 144213904 A A 2,2'-Bisphenol F Oc2ccccc2Cc1ccccc1O Tox21_303599 -NCGC00163818-04 196709356 tox21-ror-cho-viability-p1 set2 -1.2 10.3324478456 -43.0023362538 -1.353722607 -44.3560588608 1.21 0.9541668446 0.0000052143 -1.61615847 0.41214531 -1.98136005 -2.34841954 -3.15534894 1.07791231 1.00187481 -1.27759208 -5.42497074 -10.45957226 -12.29983013 -13.8853383 -33.68636283 -42.45931376 -37.5548559 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00259742-01 196708542 tox21-ror-cho-viability-p1 set2 4 -0.24253445 -3.12235737 -3.95799173 -25.17608246 -2.61291621 -0.7260666 0.51407948 -2.19305809 -2.32459938 -0.63598512 -2.35750176 -1.65518392 0.44207357 -0.67473601 0.0314913 1.214E-9 2.7139999999E-9 6.0679999999E-9 1.357E-8 3.034E-8 6.7839999999E-8 1.517E-7 3.3919999999E-7 7.5849999999E-7 0.000001696 0.000003793 0.0000084809999999 0.00001896 0.000042399999999 0.000094819999999 110-16-7 444266 144209391 A A Maleic acid O=C(O)/C=C\C(=O)O Tox21_202193 -NCGC00259570-01 196708546 tox21-ror-cho-viability-p1 set2 -3 69.3576091162 -87.2421415398 1.6882719424 -85.5538695974 4.9549173134 0.9744662443 1.937E-7 1.51030631 3.2921403 6.35053766 0.45944342 1.99730718 -0.72444712 2.269957 -0.31000936 0.29931448 0.16797915 -0.54223103 -0.89422425 1.04222553 3.59206222 -69.88402349 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.977E-8 6.656E-8 1.4879999999E-7 3.3279999999E-7 7.441E-7 0.0000016639999999 0.000003721 0.00000832 0.0000186 0.0000416 0.000093019999999 396-01-0 5546 144209219 A A Triamterene Nc2nc(N)nc1nc(N)c(nc12)c3ccccc3 Tox21_202021 -NCGC00259510-01 196708953 tox21-ror-cho-viability-p1 set2 4 -0.0850637 -0.15153876 1.25005012 1.22626289 1.97509511 0.80651841 1.43963969 0.39207115 2.02130541 4.02860306 2.46514866 2.2377131 3.91514779 0.4958822 1.03967755 1.165E-9 2.6039999999E-9 5.8229999999E-9 1.302E-8 2.912E-8 6.51E-8 1.456E-7 3.255E-7 7.2789999999E-7 0.000001628 0.000003639 0.0000081379999999 0.0000182 0.00004069 0.00009099 131-17-9 8560 144209159 A A Diallyl phthalate O=C(OCC=C)c1ccccc1C(=O)OCC=C Tox21_201961 -NCGC00259424-01 196709364 tox21-ror-cho-viability-p1 set2 4 -0.54582332 -0.24171352 -0.59386546 -1.56445371 -0.26384471 -0.6381897 -0.17954471 -0.05495458 0.45290639 -0.82785747 -0.11642939 -0.94273048 -1.08699285 0.28956168 -2.22544219 1.1989999999E-9 2.68E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.701E-8 1.4979999999E-7 3.351E-7 7.492E-7 0.000001675 0.000003746 0.0000083759999999 0.00001873 0.00004188 0.00009365 2164-17-2 16562 144209073 A A Fluometuron O=C(Nc1cc(ccc1)C(F)(F)F)N(C)C Tox21_201875 -NCGC00244579-01 196709370 tox21-ror-cho-viability-p1 set2 -2.4 68.5896218971 -31.819120204 1.5 -30.319120204 4.9549173134 0.9582674989 0.0000031249 3.41064574 1.11983179 2.99745807 0.49362086 2.48471769 -0.66667006 1.37753149 -0.4747271 1.38995364 0.4303795 2.54775859 -0.38528369 3.36700878 0.06720698 -24.43260017 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00091205-03 196707729 tox21-ror-cho-viability-p1 set1 4 0.0010263656 12.2980879439 -11.2980879439 1 4.5044702849 0.6365262991 0.074122121 -7.74840662 0.36476181 -1.40977543 -2.22133864 2.51372544 2.69420698 0.17309292 2.78539345 1.45569338 1.44644551 -1.08758537 1.01419428 2.55915559 2.36801274 -1.32394044 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00256999-01 196707307 tox21-ror-cho-viability-p1 set1 4 43.2771256911 10.0388983161 -10.67143592 -0.6325376039 3.0654483358 0.3937010083 0.2793758051 -8.96803017 -10.62966809 -4.42120393 -6.92161351 -12.64583529 -13.38362802 -10.21641779 -13.7300876 -14.7261966 -12.8319276 -13.3673656 -5.5865874 -13.85889387 -5.32481793 -1.77711467 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 13593-03-8 26124 144213587 A B Quinalphos CCOP(=S)(OCC)Oc1cnc2ccccc2n1 Tox21_303270 -NCGC00256813-01 196707318 tox21-ror-cho-viability-p1 set1 -2.2 43.2771256911 -50.4709134211 1.44408739 -49.0268260311 2.3331733767 0.9519542247 0.0000067636 2.57431808 4.48671515 0.82905461 2.18216243 -2.3045854 1.42369264 4.62971244 -2.34673276 3.79865858 -4.22737705 -0.03653481 3.92571425 -4.24329528 -24.15825902 -40.92941366 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3068-76-6 76476 144212788 F A N-[3-(Trimethoxysilyl)propyl]aniline CO[Si](OC)(OC)CCCNc1ccccc1 Tox21_302471 -NCGC00257137-01 196707326 tox21-ror-cho-viability-p1 set1 4 61.130564862 13.562458864 1.437541136 15 3.5117481694 0.6663419309 0.0556040396 -1.71871572 -0.5934136 5.22118711 0.68740197 3.49853258 1.70126382 -0.16204956 1.20020309 3.1527337 5.07356169 -0.02512171 -0.51642571 0.42752001 4.31745039 12.47068543 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-41-6 6809 144213636 A Phthalimide O=C1NC(=O)c2ccccc12 Tox21_303319 -NCGC00256876-01 196707732 tox21-ror-cho-viability-p1 set1 -2.4 48.5577336745 -28.812567528 1.5 -27.312567528 2.7202212143 0.9368691811 0.0000298733 3.4374104 2.01264497 2.81397802 0.24841695 -0.12458516 0.68282417 -1.45691018 4.3801755 -0.30710552 -0.87886301 2.78854608 2.93646067 0.41464988 -10.79873902 -22.76047294 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 63449-68-3 62217 144212877 A A Naphthalen-2-yl 2-aminobenzoate Nc1ccccc1C(=O)Oc2ccc3ccccc3c2 Tox21_302560 -NCGC00257305-01 196707735 tox21-ror-cho-viability-p1 set1 4 1.6443077 -2.39390055 3.92514086 0.59762402 3.82754825 -3.33742723 5.04747837 3.24439174 3.58123601 -4.4392895 1.79297621 5.17011192 -2.57178706 0.9336441 4.97914118 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 32809-16-8 36242 144213945 A A Procymidone Clc1cc(cc(Cl)c1)N2C(=O)C3(C)CC3(C)C2=O Tox21_303640 -NCGC00254183-01 196720503 tox21-ror-cho-viability-p1 set3 4 5.50720697 5.3929501 1.76293474 5.61325976 13.32147922 11.2890153 -3.65482764 8.73392888 2.36094282 0.14536269 16.12022743 -0.61781861 -6.53234519 5.36108724 2.40052906 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-61-9 3102 144210378 A A Benzophenone O=C(c1ccccc1)c2ccccc2 Tox21_300058 -NCGC00260420-01 196724931 tox21-ror-cho-viability-p1 set3 1.4 0.008538418 16.614615984 -13.614615984 3 1.0999999999 0.7863058532 0.0105083267 -12.59551332 -9.67380596 -5.26892075 -6.59120721 1.10972722 2.66799267 2.66929377 1.09940077 3.13766347 -0.15695623 4.17074368 7.67188244 -0.0982577 -0.9173137 8.21210315 1.1689999999E-9 2.614E-9 5.844E-9 1.3069999999E-8 2.922E-8 6.5339999999E-8 1.461E-7 3.267E-7 7.305E-7 0.0000016329999999 0.000003653 0.000008167 0.00001826 0.00004084 0.000091309999999 874-23-7 13400 144210072 A F Cyclohexanone,2-acetyl- O=C1CCCCC1C(=O)C Tox21_202874 -NCGC00259330-01 196721314 tox21-ror-cho-viability-p1 set3 4 26.7239175515 12.5575270039 -3.5575270039 9 4.9549173134 0.7490785426 0.0260178012 -4.75092807 -4.41135325 -2.89066067 -0.13514567 -0.2451234 -3.399696 -6.29793917 -3.74619841 -6.19789163 -3.86853874 -4.87347683 -2.46426125 -3.23974092 8.56165106 -2.48865008 1.159E-9 2.591E-9 5.793E-9 1.2949999999E-8 2.8969999999E-8 6.4769999999E-8 1.448E-7 3.239E-7 7.2419999999E-7 0.0000016189999999 0.0000036209999999 0.000008096 0.0000181 0.000040479999999 0.00009052 15214-89-8 65360 144208979 A D 2-Acrylamido-2-methyl-1-propanesulfonic acid O=C(NC(C)(C)CS(=O)(=O)O)C=C Tox21_201781 -NCGC00254641-01 196720507 tox21-ror-cho-viability-p1 set3 4 30.6378586933 24.72749666 -10.72749666 14 0.3 0.6593198979 0.058934438 -8.6070277 -15.18958055 -6.74980767 -3.95898821 -10.55074792 -8.73512948 -4.11187029 -5.3234763 -1.95173963 -1.50049708 -3.61030506 -3.39988602 -2.56045086 -0.31919642 8.7282018 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4376-18-5 20392 144211052 A A Monomethyl phthalate COC(=O)c1ccccc1C(=O)O Tox21_300735 -NCGC00259566-01 196721301 tox21-ror-cho-viability-p1 set3 4 25.9510614467 11.386580488 -3.386580488 8 4.9549173134 0.9135067199 0.0001577741 -1.11302385 -2.50339287 -4.08378308 -1.85752354 -3.00476293 -4.48070476 -4.90548374 -4.53342259 -4.61404957 -1.72385819 -3.31132642 -2.40669186 -2.2230198 6.85916348 8.35492193 1.131E-9 2.529E-9 5.6559999999E-9 1.2649999999E-8 2.828E-8 6.3229999999E-8 1.4139999999E-7 3.162E-7 7.069E-7 0.000001581 0.000003535 0.000007904 0.00001767 0.00003952 0.00008837 1634-78-2 15415 144209215 A Fc Malaoxon COP(=O)(OC)SC(CC(=O)OCC)C(=O)OCC Tox21_202017 -NCGC00259780-01 196721318 tox21-ror-cho-viability-p1 set3 4 27.167235033 12.83960746 -12.33960746 0.5 4.9549173134 0.4897373926 0.1877681489 -13.98186643 -12.67746831 -10.00325465 -3.85652029 -13.97078077 -17.69399366 -14.67624696 -18.61633955 -15.95598677 -4.11564088 -11.29738741 -11.61306393 -13.97790683 3.25988641 -2.68316561 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.314E-8 2.9369999999E-8 6.568E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.000003672 0.00000821 0.000018359999999 0.000041049999999 0.00009179 103-23-1 7641 144209429 A A Di(2-ethylhexyl) adipate O=C(CCCCC(=O)OCC(CC)CCCC)OCC(CCCC)CC Tox21_202231 -NCGC00259997-01 196721712 tox21-ror-cho-viability-p1 set3 4 75.4742252597 9.5521414999 -3.5521414999 6 4.9549173134 0.3595585367 0.3143763726 -6.42820451 -5.43196319 -0.51520356 -7.54345125 -3.1856478 -0.82558867 -4.84985311 -3.25996768 -0.16453422 -0.94309647 -1.14080295 -6.084857 -3.74029872 -5.92405212 3.66936911 1.1609999999E-9 2.5959999999E-9 5.805E-9 1.298E-8 2.9019999999E-8 6.4899999999E-8 1.451E-7 3.245E-7 7.256E-7 0.000001622 0.000003628 0.000008112 0.00001814 0.00004056 0.0000907 110-94-1 743 144209646 A A Pentanedioic acid O=C(O)CCCC(=O)O Tox21_202448 -NCGC00259177-01 196722112 tox21-ror-cho-viability-p1 set3 4 0.0098068946 13.070403916 -10.570403916 2.5 2.3331733767 0.612231092 0.0884439198 -7.59419929 -13.80866993 -5.06412497 -3.1624124 2.11332399 4.29410927 3.97461775 1.72805871 1.70462702 -8.05710883 4.75205313 4.92837468 6.268658 7.146252 -0.66063932 1.1919999999E-9 2.6649999999E-9 5.959E-9 1.332E-8 2.98E-8 6.662E-8 1.49E-7 3.331E-7 7.449E-7 0.0000016659999999 0.000003724 0.0000083279999999 0.00001862 0.00004164 0.00009311 628-63-7 12348 144208826 AC Pentyl acetate CC(=O)OCCCCC Tox21_201628 -NCGC00016685-11 196722511 tox21-ror-cho-viability-p1 set3 4 0.0105909295 14.647088508 -14.647088508 0 4.9549173134 0.7558469803 0.0177991006 -4.58689937 -17.4369994 -19.70590709 -16.08148408 -0.61751398 0 -4.24821526 -0.85428474 2.8725716 -0.36740234 2.06716791 -0.22457038 -2.16575499 0.05744573 3.87602597 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7681-76-7 5094 170466596 A Ronidazole Cn1c(cnc1COC(N)=O)[N+]([O-])=O Tox21_110560_1 -NCGC00024027-09 196722514 tox21-ror-cho-viability-p1 set3 4 0.0015357601 -30.72003632 -23.02146127 -7.21878109 -2.68846219 -5.63454623 -7.75596982 -5.27169937 -4.14623466 1.71616629 3.48041773 1.97438321 2.27376671 -4.08203521 0.34074021 4.63519488 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 361-37-5 9681 170464684 A Methysergide CC[C@@H](CO)NC(=O)[C@@H]3C=C2c4cccc1c4c(cn1C)C[C@H]2N(C)C3 Tox21_110895_1 -NCGC00090721-03 196722516 tox21-ror-cho-viability-p1 set3 4 3.78533606 3.75678736 2.59381665 5.90722205 4.44005783 4.67037476 1.94109548 2.18066537 -4.64861604 11.60429771 -6.65916359 -5.26955722 14.19924445 17.06929623 2.19742023 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00015560-12 196722526 tox21-ror-cho-viability-p1 set3 2.1 29.8492948118 93.0785533682 -2.1271269854 90.9514263828 1.1105099999 0.8065318284 0.00689659 -7.89215611 2.26047811 -6.80465559 -7.87446362 -5.15944627 4.57351701 -8.33280513 -10.49908894 -3.80275744 9.68210855 14.67244318 16.51678598 14.69870813 18.6092453 68.93650591 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79944-58-4 54459 170466595 A Idazoxan c1ccc2OC(COc2c1)C3=NCCN3 Tox21_110173_1 -NCGC00168348-03 196704623 tox21-ror-cho-viability-p1 set1 4 1.31300184 -0.97857442 2.57574035 -2.09439807 0.15974596 0.35806452 -0.21048203 -1.57947066 -2.17983064 0.73459622 6.14250015 -0.84912775 -2.99331121 2.16281819 3.5086406 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 90162-60-0 65681 170466617 A Isbufylline CC(C)Cn2cnc1c2C(=O)N(C)C(=O)N1C Tox21_112621_1 -NCGC00090986-03 196705017 tox21-ror-cho-viability-p1 set1 -2.2 48.854168593 -46.9195202373 0.1302281809 -46.7892920564 2.1210667061 0.9369513875 0.0000295304 -0.15825661 -1.58577237 -4.90068736 -1.32261047 6.35734542 4.70928185 -1.68735982 -1.21565479 -1.26157214 -1.73416297 0.81795694 0.28975494 -5.16218339 -19.50874747 -37.34037277 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00091278-03 196725970 tox21-ror-cho-viability-p1 set3 4 -4.03368205 -5.77359899 -6.8590183 0.54978658 4.72078972 1.95579519 1.77973597 -9.00866448 -6.47127391 3.19451203 -1.09528337 3.96136605 -7.28631887 -5.09491098 -13.9278459 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00261980-01 196725560 tox21-ror-cho-viability-p1 set3 4 0 -1.20915167 -4.2091187 -5.59563341 5.81240054 -2.35711876 2.50976756 5.74076088 -1.95776648 -1.67357769 0.54426017 5.95607849 -1.65522805 1.1257216 1.81142607 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 502-59-0 10406 170466280 Ac Fns Octamylamine CC(C)CCNC(C)CCCC(C)C Tox21_113900 -NCGC00182990-01 196725561 tox21-ror-cho-viability-p1 set3 4 0.0530803864 7.607910672 0.892089328 8.5 1.8851180601 0.3802929453 0.2911465196 0.64179803 0.79569533 2.93665747 -1.33992556 3.26528022 -0.46864964 6.99271729 6.97332545 18.82788345 15.71430662 4.10951709 4.39712151 3.76335309 3.24603899 8.56869353 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87760-53-0 91273 144206869 A A Tandospirone O=C4N(CCCCN1CCN(CC1)c2ncccn2)C(=O)[C@@H]5[C@H]3CC[C@H](C3)[C@H]45 Tox21_113318 -NCGC00015466-11 196725969 tox21-ror-cho-viability-p1 set3 4 1.74684212 4.55808496 4.73851257 -0.47511624 8.80220495 3.1336562 -2.68583048 -0.48629265 5.24118315 9.35009792 1.30938626 9.11286149 -3.85786723 -1.86507305 4.11424487 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60142-96-3 3446 170464715 A Gabapentin NCC1(CC(=O)O)CCCCC1 Tox21_110157_1 -NCGC00160669-02 196725972 tox21-ror-cho-viability-p1 set3 1.2 0.5308038637 60.2039095753 -1.572747089 58.6311624863 0.7 0.9617087162 0.0000019193 1.52270175 1.81794452 -0.5983341 0.004464 0.70433844 0.92779138 14.21577955 17.91757253 29.59988295 23.56668305 42.43909166 54.19691524 45.07177615 53.69507798 57.94912759 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10001-13-5 667497 170466336 A Pexantel O=C(N1CCN(C)CC1)C2CCCCC2 Tox21_111973_1 -NCGC00182055-03 196725989 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -105.9713806497 0.5886745657 -105.382706084 4.9549173134 0.8174718517 0.0053757193 -14.79608246 -6.07328439 -10.39369754 -12.39169633 -9.11561623 -7.42787511 0.52944348 7.59284367 0.63876853 7.27622496 -0.39841225 20.10474866 17.30827157 9.67820643 -97.6301645 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 198481-33-3 154256 170466793 A Bazedoxifene acetate CC(=O)O.Oc1ccc(cc1)c5c(C)c2cc(O)ccc2n5Cc3ccc(cc3)OCCN4CCCCCC4 Tox21_113013_1 -NCGC00095135-05 196725993 tox21-ror-cho-viability-p1 set3 4 0 0 -4.24037401 0.82048442 -4.70826453 4.34578795 -7.15097104 -4.24968546 0.94352828 0.20118339 4.15620592 -10.41841757 -0.87262931 0.44305195 -7.46173188 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 154323-57-6 123606 170465288 A Almotriptan O=S(=O)(Cc1ccc2ncc(CCN(C)C)c2c1)N3CCCC3 Tox21_111444_1 -NCGC00255601-01 196726397 tox21-ror-cho-viability-p1 set3 4 0.1087072248 -12.1526972719 5 -7.1526972719 0.2 0.4463268402 0.2310222339 -0.29325065 4.13452813 0.66887382 -0.01219465 -1.86027695 -1.01698112 -0.66342078 -3.72170029 -3.77489513 3.08367325 -3.23612559 -7.21058106 -2.54015928 -3.7792372 -5.18796498 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2433-14-9 75518 144212080 A A 4-Cyclohexylcyclohexanol OC1CCC(CC1)C2CCCCC2 Tox21_301763 -NCGC00257420-01 196726401 tox21-ror-cho-viability-p1 set3 4 3.90262042 -3.02300586 -7.5701602 -23.69982174 -2.47619597 -11.3351242 -0.45995366 0 -2.54607324 -0.95608623 0 -3.6294908 2.70162953 1.23655144 -14.93443029 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-40-5 1752 144213950 A A 4-Nonylphenol Oc1ccc(CCCCCCCCC)cc1 Tox21_303647 -NCGC00257458-01 196726407 tox21-ror-cho-viability-p1 set3 4 0.48311142 0.05651512 0.73384146 -4.0804052 -4.92198319 0.71308258 -0.53941938 1.84406426 0.15470396 -0.01065117 0.3282005 4.91203584 0.96965443 -0.7399937 1.27923227 7.196E-10 1.609E-9 3.5979999999E-9 8.046E-9 1.7989999999E-8 4.023E-8 8.995E-8 2.011E-7 4.4979999999E-7 0.000001006 0.000002249 0.000005029 0.000011239999999 0.00002514 0.000056219999999 112-56-1 8196 144213852 A A 2-(2-Butoxyethoxy)ethyl thiocyanate N#CSCCOCCOCCCC Tox21_303547 -NCGC00259082-01 196709558 tox21-ror-cho-viability-p1 set2 4 -0.34100006 -0.06128603 6.68545814 -2.02555913 0.92726799 -2.05643405 -0.88170056 -1.75650311 -1.74381072 1.29119392 -1.66743357 1.03916342 6.93933994 6.39910954 0.06045131 1.146E-9 2.563E-9 5.73E-9 1.281E-8 2.865E-8 6.407E-8 1.433E-7 3.203E-7 7.163E-7 0.000001602 0.0000035809999999 0.0000080079999999 0.00001791 0.000040039999999 0.000089529999999 77-79-2 6498 144208730 A A 3-Sulfolene O=S1(=O)CC=CC1 Tox21_201532 -NCGC00091080-03 196709545 tox21-ror-cho-viability-p1 set2 2.4 76.9588215421 28.361739572 -2.361739572 26 4.9549173134 0.8973435458 0.0003697829 -0.46584822 -0.44127132 -3.99726153 -1.24928139 -2.48219787 0.78565102 -3.78733066 -4.10027987 -1.0234868 -4.46811631 -2.54011726 -3.31712522 -0.76763637 -4.46423218 20.0383733 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00259175-01 196709551 tox21-ror-cho-viability-p1 set2 -1.1 1.0892836172 -89.6952079566 0.3473455099 -89.3478624467 1.9673362061 0.9934894929 1E-10 3.50391649 1.99922107 -1.32891876 -0.76175149 3.8835664 -1.79102636 -5.21401745 -9.81534489 -21.12636973 -68.69377978 -82.7950933 -85.63235766 -87.37594841 -89.1695234 -88.82599058 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.303E-7 7.387E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 1461-22-9 15096 144208824 A A Tributyltin chloride CCCC[Sn](Cl)(CCCC)CCCC Tox21_201626 -NCGC00258950-01 196709557 tox21-ror-cho-viability-p1 set2 4 -0.31766822 -0.36238909 -0.09603942 0.49057047 0.10275678 0.99709375 0.48106256 2.02014179 0.92093727 0.69478453 3.55157321 1.34331038 4.20331951 1.585145 2.04108672 1.179E-9 2.6359999999E-9 5.8929999999E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.294E-7 7.367E-7 0.0000016469999999 0.0000036829999999 0.000008236 0.00001842 0.000041179999999 0.00009208 104-66-5 7713 144208597 A A 1,2-Diphenoxyethane C(COc1ccccc1)Oc2ccccc2 Tox21_201399 -NCGC00259492-01 196709561 tox21-ror-cho-viability-p1 set2 4 21.4035113493 -20.790590744 0 -20.790590744 1.5385888099 0.9201418269 0.0002065285 0.34071005 0.39865107 -1.30908605 -1.42313712 0.01147637 3.3025444 0.72252893 -0.77802163 -0.36757126 0.9028725 0.23683106 -5.50305988 -7.99252507 -15.65882562 -4.5967461 1.167E-9 2.608E-9 5.8329999999E-9 1.304E-8 2.9159999999E-8 6.521E-8 1.458E-7 3.26E-7 7.2909999999E-7 0.0000016299999999 0.000003645 0.0000081509999999 0.00001823 0.000040759999999 0.000091129999999 123-11-5 31244 144209141 A A 4-Methoxybenzaldehyde COc1ccc(C=O)cc1 Tox21_201943 -NCGC00163724-03 196709954 tox21-ror-cho-viability-p1 set2 4 27.3060203028 -8.1902505399 1 -7.1902505399 4.9549173134 0.7030421457 0.0374659489 -3.31747698 3.51809672 4.1820418 1.76213193 0.74103138 3.22068409 0.49930815 1.8353451 0.75875972 1.67876864 -0.58705722 0.33117019 0.25716386 -6.04567056 -7.24187545 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00255846-01 196710808 tox21-ror-cho-viability-p1 set2 4 0.12944401 0.81643936 0.33081439 -0.91623578 2.5554385 2.61507585 -1.44504186 1.81615432 4.28861118 4.21640101 1.08043344 -0.92233754 1.46719258 2.00426003 2.86092192 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6425-39-4 80900 144211629 A 4,4'-(Oxydiethylene)bis(morpholine) O(CCN1CCOCC1)CCN2CCOCC2 Tox21_301312 -NCGC00357113-01 196711212 tox21-ror-cho-viability-p1 set2 4 0.18502567 2.90260792 2.34976063 -1.328325 -1.17718013 -0.97092625 2.63777518 -2.56532499 -1.63416566 -0.47506461 0 0.58413151 0 -0.80643293 1.70601193 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-53-8 7146 251919974 F Hydratropaldehyde CC(C=O)c1ccccc1 Tox21_303843 -NCGC00260542-01 196711632 tox21-ror-cho-viability-p1 set2 4 0.0002644094 7.67828208 -3.17828208 4.5 0.7999999999 0.3434230062 0.3448476443 -1.3985684 -0.66237454 0.92928102 3.68964269 0.9376742 2.36544746 5.0955062 8.10137053 1.65884428 7.4147333 0.86635489 -0.51633058 4.75244143 8.91155865 1.47942139 5.869E-11 1.312E-10 2.9349999999E-10 6.562E-10 1.467E-9 3.2809999999E-9 7.3359999999E-9 1.64E-8 3.6679999999E-8 8.2019999999E-8 1.834E-7 4.101E-7 9.171E-7 0.000002051 0.000004585 2437-56-1 17095 144210195 F Fns 1-Tridecene C=CCCCCCCCCCCC Tox21_202997 -NCGC00260099-01 196711641 tox21-ror-cho-viability-p1 set2 4 0.04617015 -0.24100084 0.3754268 -0.51663066 1.2983102 -5.8605041 1.06514538 -7.23198875 1.02471768 -0.67404545 0.20222325 -0.24245199 -7.78311844 -4.85466751 -7.9962352 5.785E-10 1.2939999999E-9 2.892E-9 6.4679999999E-9 1.446E-8 3.234E-8 7.2309999999E-8 1.617E-7 3.6149999999E-7 8.084E-7 0.0000018079999999 0.000004042 0.000009039 0.00002021 0.000045189999999 67701-03-5 10465 144209748 A Fatty acids, C16-18 O=C(O)CCCCCCCCCCCCCCCC Tox21_202550 -NCGC00259272-01 196709575 tox21-ror-cho-viability-p1 set2 1.4 0.0015105795 27.0819021119 -25.5819021119 1.5 4.9549173134 0.91667238 0.0001287512 -20.06825176 2.39712853 3.4710325 2.12908005 -1.04055095 3.60641188 2.15296013 0.01915779 1.39954688 -0.65379868 1.0389096 -0.61512084 2.23686385 0.59689797 -0.00128554 1.164E-9 2.6039999999E-9 5.822E-9 1.302E-8 2.911E-8 6.509E-8 1.4549999999E-7 3.254E-7 7.2769999999E-7 0.0000016269999999 0.000003639 0.000008136 0.00001819 0.00004068 0.000090959999999 101-77-9 7577 144208921 A A 4,4'-Methylenedianiline Nc2ccc(Cc1ccc(N)cc1)cc2 Tox21_201723 -NCGC00259919-01 196709162 tox21-ror-cho-viability-p1 set2 4 3.88991981 4.31379274 2.34019401 4.04597877 0.05325686 1.49524088 -0.9789718 0.49046944 -1.69220234 -1.04569305 -0.66390533 -0.60098246 1.65187011 -1.9752972 4.32351697 1.162E-9 2.599E-9 5.812E-9 1.2999999999E-8 2.9059999999E-8 6.4979999999E-8 1.453E-7 3.249E-7 7.265E-7 0.000001624 0.000003632 0.000008122 0.00001816 0.00004061 0.000090809999999 6959-48-4 23394 144209568 D 3-(Chloromethyl)pyridine hydrochloride Cl.ClCc1cccnc1 Tox21_202370 -NCGC00258877-01 196709164 tox21-ror-cho-viability-p1 set2 4 3.16550747 -0.28467629 -0.61641718 -4.40886382 3.56363804 3.10302466 1.3480005 2.66433099 1.24388711 3.39162659 1.39522045 5.50772916 5.06014441 3.67869131 0.34437064 1.195E-9 2.6729999999E-9 5.9769999999E-9 1.337E-8 2.989E-8 6.683E-8 1.494E-7 3.341E-7 7.4709999999E-7 0.000001671 0.000003736 0.000008353 0.000018679999999 0.00004177 0.00009339 118-48-9 8359 144208523 A C 2H-3,1-Benzoxazine-2,4(1H)-dione O=C1OC(=O)Nc2ccccc12 Tox21_201325 -NCGC00091759-02 196710234 tox21-ror-cho-viability-p1 set2 4 -0.04704192 1.82541383 -1.06712853 0.31994638 -1.54488407 3.26145283 -1.20638842 -1.34357382 3.49254698 -0.06190303 2.52533403 0.47368144 3.56321488 3.8327248 3.20540042 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00256248-01 196709815 tox21-ror-cho-viability-p1 set2 4 8.6349217992 -16.5285737799 7.5 -9.0285737799 0.2 0.6894123953 0.0439224861 6.8456097 4.49084606 3.9897291 3.19640292 3.43611563 2.68663474 1.32874356 -0.16516572 0.54370815 2.31659277 2.48139883 -0.87698364 0.93360193 -0.72411938 -6.69047815 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25804-49-3 117640 144211565 A A tert-Butyl 4-hydroxybenzoate Oc1ccc(cc1)C(=O)OC(C)(C)C Tox21_301248 -NCGC00255633-01 196710223 tox21-ror-cho-viability-p1 set2 4 0.0015355304 -11.208093472 12 0.791906528 4.9549173134 0.8029946814 0.0077701545 10.03445445 -1.00674456 1.53805178 0.96370789 -0.38027037 -0.02470754 -0.57285555 2.21448244 1.40506621 0.75506816 2.33194198 1.91106987 -0.17335676 1.66939158 0.1772454 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23778-52-1 90255 144211789 Ac Ac 2,5,8,11,14-Pentaoxahexadecan-16-ol COCCOCCOCCOCCOCCO Tox21_301472 -NCGC00255364-01 196710232 tox21-ror-cho-viability-p1 set2 4 0.59654134 6.21605654 1.04015134 -0.55452671 5.77822285 4.69800225 -1.01354812 -0.43114584 -1.11902131 -1.3051302 0.41527155 -0.71027626 -1.4311962 0.97031863 4.49963164 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6373-74-6 5284435 144212203 A C.I. Acid Orange 3 [Na+].O=S([O-])(=O)c2cc(ccc2Nc1ccccc1)Nc3ccc(cc3[N+]([O-])=O)[N+]([O-])=O Tox21_301886 -NCGC00357222-01 196711907 tox21-ror-cho-viability-p1 set2 3 68.5896218971 36.953644344 2.046355656 39 4.9549173134 0.9354339466 0.0000336202 -0.33626157 1.61653739 5.20171786 2.63210911 -0.79470362 1.92993434 5.09536634 3.85960612 1.78825786 -0.2023238 2.33813659 4.55180173 3.95543354 2.56991285 32.21359327 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 616-47-7 1390 251919921 A 1-Methylimidazole Cn1ccnc1 Tox21_304006 -NCGC00260586-01 196711502 tox21-ror-cho-viability-p1 set2 4 0.0530803864 -12.1884170519 -0.5 -12.6884170519 2.7202212143 0.3621747479 0.307662093 -0.42173489 -0.33232161 0.02643945 -2.10802221 -1.95773104 -0.49149743 -10.66623691 -14.72764786 -5.73590029 -15.39569189 -18.12312475 -21.30630201 0 2.7097871 -28.90701421 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49482 144210239 M M NTP Mix45 CT1 3-EQP Tox21_203041 -NCGC00357196-01 196711506 tox21-ror-cho-viability-p1 set2 4 4.6090320393 12.859221976 1.140778024 14 0.7999999999 0.6585704391 0.059757413 -0.42790414 0.22172747 -1.13268498 3.57125645 1.53342037 2.2367028 2.61579173 5.97464599 5.88911816 -0.54132312 1.1010356 6.49978175 6.56414709 11.65701534 10.55087264 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 1163-19-5 14410 251919640 BDE-209 Brc2c(Oc1c(Br)c(Br)c(Br)c(Br)c1Br)c(Br)c(Br)c(Br)c2Br Tox21_303970 -NCGC00260052-01 196711513 tox21-ror-cho-viability-p1 set2 2.4 56.5390743367 29.167064876 0.832935124 30 2.7202212143 0.8996213739 0.0003300777 -0.16812951 0.27188002 0.07688475 -0.74264956 -2.63922073 2.61342158 -0.89574092 3.93128958 0.70101662 -1.02720436 4.53119287 4.12852495 0.4931814 9.87669926 24.24930721 1.2169999999E-9 2.722E-9 6.086E-9 1.361E-8 3.0429999999E-8 6.804E-8 1.521E-7 3.402E-7 7.607E-7 0.0000017009999999 0.0000038039999999 0.000008505 0.000019019999999 0.00004253 0.00009509 98-82-8 7406 144209701 F Fc Cumene CC(C)c1ccccc1 Tox21_202503 -NCGC00260086-01 196711909 tox21-ror-cho-viability-p1 set2 4 0.6200058712 5.955187132 -2.455187132 3.5 1.2221 0.5681186588 0.1382812103 0.26501106 -0.25073807 -3.32252922 -6.09694718 -0.93038892 -1.20617104 -6.62932261 0.83639281 -0.14248613 1.04842773 1.46000999 2.76885556 3.4930178 3.79101049 -6.8067988 6.1E-10 1.3639999999E-9 3.05E-9 6.8199999999E-9 1.5249999999E-8 3.4099999999E-8 7.625E-8 1.705E-7 3.8119999999E-7 8.525E-7 0.0000019059999999 0.0000042619999999 0.000009531 0.000021309999999 0.00004765 7681-38-1 516919 144209735 Sodium hydrogen sulfate [Na+].[O-]S(=O)(=O)O Tox21_202537 -NCGC00260620-01 196711915 tox21-ror-cho-viability-p1 set2 4 37.5780357627 17.1358761039 -3.1358761039 14 4.9549173134 0.5215644387 0.1601820698 0.34361914 -0.43778078 -2.28627349 -0.72172135 -1.2368351 -0.0802379 -4.42449825 -10.94656342 -2.25955351 -7.92550467 -0.37152274 -1.40156003 -6.11509386 -2.71195829 10.15825686 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49516 144210273 M M NTP Mix96 ER1 10-EQP Tox21_203075 -NCGC00260412-01 196711925 tox21-ror-cho-viability-p1 set2 4 2.94344724 2.6054855 0.36223342 3.82263228 3.43160417 0 2.68806088 2.25475959 2.14928238 -0.73555735 4.19785636 5.37142351 1.62113223 6.5029327 2.01006169 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.486E-7 3.3239999999E-7 7.4319999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.0000929 6940-78-9 81364 144210064 F 1-Bromo-4-chlorobutane BrCCCCCl Tox21_202866 -NCGC00260063-01 196712329 tox21-ror-cho-viability-p1 set2 2.4 60.7577547203 32 2 34 3.5722481694 0.9491715184 0.000009259 0.44854239 2.00804513 0.54805807 1.86514677 2.30073139 1.48695713 0.39057135 0.18975162 3.89218361 2.73843263 4.9400558 4.72570096 4.19086517 7.7490946 28.25257474 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.00009175 102-54-5 7611 144209712 A F Ferrocene [Fe+2].[c-]1cccc1.c1[c-]ccc1 Tox21_202514 -NCGC00259289-01 196720934 tox21-ror-cho-viability-p1 set3 4 -6.08095715 -3.49616694 -2.30643219 -3.02685725 -2.93176374 -6.06489551 -5.40580714 -5.85253628 -4.33288816 -1.14587407 -6.85217704 -7.7849878 -1.87308332 -0.74777209 1.64263766 1.19E-9 2.661E-9 5.949E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003718 0.000008314 0.00001859 0.00004157 0.000092959999999 117-08-8 8326 144208938 Tetrachlorophthalic anhydride O=C1OC(=O)c2c1c(Cl)c(Cl)c(Cl)c2Cl Tox21_201740 -NCGC00260514-01 196723776 tox21-ror-cho-viability-p1 set3 -3 69.4973960317 -51.5139656262 -1.120463022 -52.6344286482 4.5044702849 0.9501340999 0.0000083002 -5.6716753 0.47196339 1.33837223 -0.58179432 4.43127415 -2.65723147 -1.32342906 -0.18797209 -5.10641847 -1.47320292 -0.574226 0.04409559 -0.92416208 -5.78392275 -41.77335607 1.193E-9 2.6679999999E-9 5.9659999999E-9 1.3339999999E-8 2.9829999999E-8 6.67E-8 1.491E-7 3.335E-7 7.457E-7 0.000001668 0.0000037289999999 0.0000083379999999 0.00001864 0.000041689999999 0.000093219999999 1689-82-3 5354198 144210166 A A p-Phenylazophenol Oc2ccc(/N=N/c1ccccc1)cc2 Tox21_202968 -NCGC00259243-01 196720944 tox21-ror-cho-viability-p1 set3 4 -4.01621979 1.62696049 1.962165 2.00023936 -7.09008114 -7.52386299 -11.13314886 -6.12364687 -9.18147138 -1.81105134 -4.97724224 -4.1938479 -0.80500233 3.72763591 0.90717816 1.19E-9 2.6619999999E-9 5.951E-9 1.331E-8 2.976E-8 6.654E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.00000372 0.000008317 0.0000186 0.00004159 0.000092989999999 2867-47-2 17869 144208892 AC D 2-(Dimethylamino)ethyl methacrylate CN(C)CCOC(=O)C(=C)C Tox21_201694 -NCGC00259792-01 196720933 tox21-ror-cho-viability-p1 set3 4 2.4485085608 -10.1123544559 0.5 -9.6123544559 4.9549173134 0.4904396421 0.2038716131 3.85674931 -6.16845866 -5.93101027 0.75891223 -0.63889191 1.83575142 2.01635243 2.33638764 2.38939781 3.04438021 -11.64767019 -16.76029538 -10.9292977 0.39161614 -2.0680873 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.000041429999999 0.000092629999999 72-14-0 5340 144209441 A A Sulfathiazole O=S(=O)(Nc1nccs1)c2ccc(N)cc2 Tox21_202243 -NCGC00259739-01 196720935 tox21-ror-cho-viability-p1 set3 4 26.8346328519 17.058895924 -8.058895924 9 1.111 0.6023236498 0.095519651 -7.1873339 -8.45281837 -9.41618443 -3.74524491 -7.74078482 -11.10327554 -6.2492487 -8.64841896 -13.38241327 1.71722083 -9.54632759 -5.81894144 0.97651027 0.29452607 6.55320171 1.163E-9 2.5999999999E-9 5.8149999999E-9 1.2999999999E-8 2.9069999999E-8 6.501E-8 1.454E-7 3.25E-7 7.268E-7 0.000001625 0.000003634 0.000008126 0.00001817 0.00004063 0.000090849999999 121-03-9 8458 144209388 A A 2-Methyl-5-nitrobenzenesulfonic acid Cc1ccc(cc1S(O)(=O)=O)[N+]([O-])=O Tox21_202190 -NCGC00258921-01 196721332 tox21-ror-cho-viability-p1 set3 4 34.726127359 10.369617672 -3.369617672 7 2.4063783767 0.6592700705 0.0596521698 -4.03938202 -2.36712005 -2.36062747 -9.89134806 -1.50814878 -4.13123794 -2.88049806 -3.06080662 -3.09731456 -1.36683535 -2.81356565 -2.16321546 -2.56833207 3.80983598 5.51801724 1.19E-9 2.661E-9 5.95E-9 1.331E-8 2.975E-8 6.653E-8 1.4879999999E-7 3.326E-7 7.438E-7 0.000001663 0.000003719 0.000008316 0.00001859 0.00004158 0.00009297 78-42-2 6537 144208567 A F Tris(2-ethylhexyl) phosphate CCCCC(COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC)CC Tox21_201369 -NCGC00259307-01 196721342 tox21-ror-cho-viability-p1 set3 4 -5.21676107 -3.05838882 -3.76060988 4.39983407 -4.33376649 -4.07084857 -6.02308071 -6.64568097 -4.63864367 0.5055149 -2.19492774 -2.90839887 -5.89246945 2.72030745 1.76895603 1.1759999999E-9 2.63E-9 5.8799999999E-9 1.315E-8 2.94E-8 6.574E-8 1.4699999999E-7 3.2869999999E-7 7.35E-7 0.0000016439999999 0.0000036749999999 0.000008218 0.000018379999999 0.00004109 0.00009188 112-55-0 8195 144208956 AC F 1-Dodecanethiol CCCCCCCCCCCCS Tox21_201758 -NCGC00259589-01 196721345 tox21-ror-cho-viability-p1 set3 4 -3.35432389 -7.84322189 -3.14995906 4.0064725 -5.92333505 -2.82530859 -7.01292915 -2.95748046 -8.98448713 -6.6554542 -2.64516437 -4.19621943 -2.75664813 -1.89225018 0.44058011 1.1739999999E-9 2.626E-9 5.871E-9 1.3129999999E-8 2.9349999999E-8 6.564E-8 1.468E-7 3.282E-7 7.339E-7 0.000001641 0.000003669 0.000008205 0.00001835 0.00004102 0.00009173 97-53-0 3314 144209238 A A Eugenol Oc1ccc(cc1OC)CC=C Tox21_202040 -NCGC00259104-01 196721729 tox21-ror-cho-viability-p1 set3 4 27.167235033 9.044533768 -5.544533768 3.5 4.9549173134 0.5072175156 0.172970921 -4.41250195 -2.58350257 -4.59866754 -3.80988615 -5.88162006 -6.59535735 -3.47777489 -1.53773306 -4.01412615 -14.20377814 -7.692132 -7.88072172 -6.37596164 4.24104731 2.48086911 1.175E-9 2.628E-9 5.877E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.346E-7 0.000001643 0.000003673 0.0000082129999999 0.000018359999999 0.00004107 0.000091819999999 124-02-7 31279 144208753 FNS Diallylamine C=CCNCC=C Tox21_201555 -NCGC00258799-01 196721734 tox21-ror-cho-viability-p1 set3 4 31.0433465046 13.84203918 -3.34203918 10.5 2.3031167061 0.4955758512 0.1827700212 -5.81474627 -0.05960507 -1.54792595 4.21676847 -14.03503265 -3.54474009 -1.84861708 -1.26866553 -2.59732806 -5.05417921 -4.4272168 -0.78058108 -1.0265777 6.39646943 9.05376702 1.193E-9 2.6679999999E-9 5.9649999999E-9 1.3339999999E-8 2.982E-8 6.669E-8 1.491E-7 3.335E-7 7.456E-7 0.0000016669999999 0.000003728 0.000008336 0.00001864 0.00004168 0.0000932 111-70-6 8129 144208445 A A 1-Heptanol CCCCCCCO Tox21_201247 -NCGC00259205-01 196721740 tox21-ror-cho-viability-p1 set3 4 8.5998086107 -18.4654008 -1 -19.4654008 3.9294729863 0.9421398265 0.0000186806 -1.31400053 0.48620096 -0.98965561 -2.713526 0.3196117 -1.98948195 -0.28302272 -2.33127111 -0.46615631 -0.30618422 -1.5789082 -9.054042 -22.887834 -15.10148644 -19.60255561 1.1759999999E-9 2.63E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.576E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.00000822 0.000018379999999 0.0000411 0.0000919 118-75-2 8371 144208854 Chloranil ClC=1C(=O)C(Cl)=C(Cl)C(=O)C=1Cl Tox21_201656 -NCGC00259716-01 196721750 tox21-ror-cho-viability-p1 set3 4 -8.17492754 -1.66616422 0.18221675 0.28317458 -7.17090539 -6.01152445 -1.59231495 -1.59982395 -7.09733576 -3.97034196 -2.39609738 -7.92123557 -10.41583822 -0.56605748 -4.58735033 1.203E-9 2.6889999999E-9 6.013E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003758 0.000008404 0.000018789999999 0.00004202 0.000093959999999 28804-88-8 11317 144209365 A Dimethylnaphthalene Cc1c2ccccc2ccc1C Tox21_202167 -NCGC00259415-01 196722130 tox21-ror-cho-viability-p1 set3 4 -4.18693254 -1.77693323 -4.70970923 0.11314678 -3.45774703 -5.09392284 -4.42541744 -3.61078556 -4.31697849 0.05104061 -5.0955276 -6.56271699 -4.45177959 0.32817804 -11.87930965 1.166E-9 2.606E-9 5.8279999999E-9 1.303E-8 2.9139999999E-8 6.515E-8 1.457E-7 3.2579999999E-7 7.284E-7 0.000001629 0.0000036419999999 0.000008144 0.00001821 0.000040719999999 0.00009106 101-21-3 2728 144209064 A A Chlorpropham Clc1cc(NC(=O)OC(C)C)ccc1 Tox21_201866 -NCGC00256542-01 196726463 tox21-ror-cho-viability-p1 set3 4 1.0870722482 -14.697463792 -3.823931148 -18.52139494 1.331 0.6598661188 0.0694963313 -1.91561012 -3.71142751 -2.27739802 -4.97206348 -4.02190049 -7.31854901 -6.16654063 -0.68660929 -10.30772433 -10.48169523 -19.87393095 -25.85116245 -20.19183605 -7.47394533 -5.94263837 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 10108-64-2 24633 144213317 Cadmium chloride [Cd+2].[Cl-].[Cl-] Tox21_303000 -NCGC00256443-01 196726470 tox21-ror-cho-viability-p1 set3 4 0.000016055 -35.00789509 -29.35905353 -28.53460301 -32.03833426 -25.62257141 -26.59569122 -21.20543952 -26.20172462 -20.93841818 -18.49892325 -7.52643465 -11.66930334 -4.11930587 0.96129085 2.10673875 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 105-55-5 2735009 144213273 A A N,N'-Diethylthiourea CCNC(=S)NCC Tox21_302956 -NCGC00257397-01 196726477 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -13.075235216 1 -12.075235216 4.9549173134 0.6672170953 0.0554150487 0.56153003 1.79481166 2.66613782 -1.73743394 0.27922533 2.47863245 -1.30135884 -1.36955601 3.16136152 3.31674448 -0.12953395 1.49748736 -1.57053348 2.03222868 -9.22936268 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 199584-38-8 3420996 144213698 Ac F 1-Methoxy-4-tert-pentylcyclohexane COC1CCC(CC1)C(C)(C)CC Tox21_303386 -NCGC00256924-01 196727304 tox21-ror-cho-viability-p1 set3 4 -0.21565041 0.77346089 1.76517386 1.27455848 1.48976807 3.72257068 -4.03701222 -0.6119461 -1.10306709 -2.93916116 -2.71196656 -1.73225372 4.00913242 0.07165712 -3.70362549 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-59-3 7663 144213019 A F 3-Phenylprop-2-en-1-yl 2-methylpropanoate CC(C)C(=O)OCC=Cc1ccccc1 Tox21_302702 -NCGC00256492-01 196727310 tox21-ror-cho-viability-p1 set3 -2.2 48.5577336745 -65.3009340628 0.3383363189 -64.9625977439 1.55794881 0.9832386727 1.71E-8 0.66461236 -1.06151819 0.91403323 -0.23250978 -0.06072231 -0.88691631 1.24585322 1.42067763 -1.03729275 1.56273814 2.40254761 -6.46782645 -12.439071 -24.69848442 -49.2140892 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5153-25-3 107377 144213110 A A 2-Ethylhexylparaben Oc1ccc(cc1)C(=O)OCC(CC)CCCC Tox21_302793 -NCGC00256460-01 196727720 tox21-ror-cho-viability-p1 set3 4 1.24184023 1.65263773 1.38954634 0.00615202 -0.89113236 -0.3180793 0.49251211 0.80622171 1.54081278 1.48770448 2.8409318 0.06142873 0.21309819 -0.05334698 2.16554143 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-02-8 6998 144213246 D Bc Salicylaldehyde O=Cc1ccccc1O Tox21_302929 -NCGC00257290-01 196727724 tox21-ror-cho-viability-p1 set3 -1.1 2.7306020303 -72.0135636524 -2.950363638 -74.9639272904 1.0999999999 0.9522343922 0.0000065364 -8.24228446 0 0 0 -13.06015224 0 -12.40120568 0 -8.48064187 -41.60841673 -42.67103559 -52.44483931 -68.90542584 -74.50363638 -73.17867438 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4342-36-3 16682834 144213707 F A Tributyltin benzoate CCCC[Sn](OC(=O)c1ccccc1)(CCCC)CCCC Tox21_303395 -NCGC00257308-01 196727735 tox21-ror-cho-viability-p1 set3 4 -2.56733369 0.18127527 1.29088355 1.49444802 -16.81350903 -2.0242873 0 0 0 0 -0.61418303 -5.19254401 -0.19408773 -4.84027496 -3.07497925 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 40649-36-3 142482 144213660 A A 4-Propylcyclohexanone CCCC1CCC(=O)CC1 Tox21_303343 -NCGC00255713-01 196728144 tox21-ror-cho-viability-p1 set3 -1.3 1.9331181962 -94.4281691668 2.0210603072 -92.4071088596 2.6384283767 0.9975351274 0.0582417626 6.56721898 -1.00911002 1.29143306 2.21217958 2.76231978 1.77264549 2.24031488 -0.08682074 -5.82677579 -32.72452677 -63.86251223 -5.57005168 -92.64481108 -94.48579638 -90.52215766 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13967-50-5 6857648 144212551 Potassium dicyanoaurate [K+].N#C[Au-]C#N Tox21_302234 -NCGC00255456-01 196728152 tox21-ror-cho-viability-p1 set3 4 0 3.83546703 -1.28624218 7.78303089 0.14063958 0.51869552 3.25561318 -1.04215885 -1.61571319 5.45572226 6.84964746 -6.33437558 2.45135425 0.27158 -0.488951 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 595-33-5 11683 144212677 A A Megestrol acetate CC(=O)[C@@]3(OC(C)=O)CC[C@H]2[C@@H]4C=C(C)C1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_302360 -NCGC00255628-01 196728557 tox21-ror-cho-viability-p1 set3 4 1.04254931 0.49487093 -2.98198782 -1.92808897 -2.83960363 -0.11102435 -3.41132988 -2.3910378 5.06538381 3.21361676 -2.35290111 15.16652317 -0.3783404 0.19387534 1.04668669 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 20711-10-8 5367692 144212521 A F (Z)-11-Tetradecenyl acetate CC(=O)OCCCCCCCCCC/C=C\CC Tox21_302204 -NCGC00255768-01 196727813 tox21-ror-cho-viability-p1 set3 4 13.6854287769 -15.0056732839 0 -15.0056732839 1.78848746 0.5830370785 0.1094756077 -2.74693248 3.7412349 -3.45195558 7.43017291 5.44442304 -2.00498692 -4.22928714 -4.08327661 -2.71988323 5.7542594 -4.01662692 -5.4642479 -6.05996487 -18.33806107 -11.03938306 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 535-87-5 12062 144212365 D A 3,5-Diaminobenzoic acid Nc1cc(cc(N)c1)C(=O)O Tox21_302048 -NCGC00260558-01 196711249 tox21-ror-cho-viability-p1 set2 4 -8.41606153 -1.29093491 -16.8698737 -6.12348851 -3.20478478 0.87401871 -0.47978226 -22.66470436 -10.74931804 -2.05973649 0 -14.57733929 -22.21461136 -9.37968816 -26.82388578 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49454 144210211 M M NTP Mix66 CT1 62-EQP Tox21_203013 -NCGC00094521-05 196710834 tox21-ror-cho-viability-p1 set2 4 -4.75808628 -3.44211818 -3.27858396 -2.87231736 -2.87089684 -7.10001328 -5.39370258 -7.74336167 -1.27488934 -0.47226329 -1.65038776 -1.83478174 1.05202604 0.31690401 -8.40061074 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00260037-01 196711242 tox21-ror-cho-viability-p1 set2 -3 68.5198756601 -104.3477456569 -5.270801767 -109.6185474239 4.9549173134 0.9422312755 0.0000184168 -1.44630279 -1.37469152 -3.76864898 -7.82093352 -1.92948683 -3.59149951 -7.78874708 -13.11977248 -0.57811165 -9.17021997 -15.31776348 -6.62042451 -3.97818761 -0.80760952 -91.34878952 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.295E-7 7.367E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.000041179999999 0.00009209 121-54-0 8478 144209686 A A Benzethonium chloride [Cl-].CC(C)(C)CC(C)(C)c2ccc(OCCOCC[N+](C)(C)Cc1ccccc1)cc2 Tox21_202488 -NCGC00260207-01 196711248 tox21-ror-cho-viability-p1 set2 4 69.008347349 19.188887844 1.811112156 21 0.7999999999 0.6309574078 0.0765911436 -0.99073987 -0.32542558 2.19687959 4.93776518 2.61933244 2.05657806 4.59426762 3.60928152 4.14379041 6.40455609 5.85122862 2.12289452 5.56181475 6.94762756 16.09090434 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.629E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008287 0.00001853 0.000041429999999 0.00009265 216300-12-8 60196380 144209857 FNS 1-Methyl-3-propylimidazolium hexafluorophosphate C[n+]1ccn(CCC)c1.F[P-](F)(F)(F)(F)F Tox21_202659 -NCGC00357082-01 196711645 tox21-ror-cho-viability-p1 set2 -3 27.3060203028 -62.000700549 -6.093104715 -68.093805264 4.9549173134 0.7718602631 0.0181361053 -2.24832397 -4.59648284 -6.9675437 -5.9603239 -2.5013272 -27.12710506 -0.36374466 -6.02795636 -2.30491678 -4.50982965 -20.73655953 0 0 -70.93104715 -2.43696619 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131-52-2 23663539 251919749 Sodium pentachlorophenate [Na+].Clc1c([O-])c(Cl)c(Cl)c(Cl)c1Cl Tox21_303795 -NCGC00090721-03 196711666 tox21-ror-cho-viability-p1 set2 4 24.3365162115 20.5837031321 0.4162968679 21 0.3 0.6228852645 0.0815720315 -1.31975261 2.01396645 4.20088066 3.93144975 2.6500549 5.84153916 4.74206997 6.35191976 8.69958582 6.14751335 3.07152941 3.98078953 7.60079515 14.54334569 17.18380573 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00260342-01 196712061 tox21-ror-cho-viability-p1 set2 4 65.8090803367 -12.611250724 5 -7.611250724 4.0949729863 0.3067474846 0.3621951361 2.00083164 2.12559013 3.50295811 6.64016057 8.73898439 -5.92604227 7.50506209 10.23160123 8.23237977 7.84370116 6.17041742 5.19286719 4.51688811 3.5495102 -4.76753738 1.14E-9 2.5489999999E-9 5.6989999999E-9 1.2739999999E-8 2.849E-8 6.371E-8 1.4249999999E-7 3.1859999999E-7 7.123E-7 0.0000015929999999 0.0000035619999999 0.000007964 0.000017809999999 0.00003982 0.00008904 70356-09-1 51040 144209994 A A 1-(4-tert-Butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione COc1ccc(cc1)C(=O)CC(=O)c2ccc(cc2)C(C)(C)C Tox21_202796 -NCGC00015256-12 196712494 tox21-ror-cho-viability-p1 set2 4 -2.42603189 -4.40685955 -2.23453183 -2.84631039 -6.64089881 -3.59272201 -3.11343347 -1.40580838 -2.04908718 0.93673049 -3.97473139 1.21758613 0.21150475 -3.83403973 -3.33569618 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 50-63-5 64927 170464753 A Chloroquine O=P(O)(O)O.O=P(O)(O)O.CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 Tox21_110115_1 -NCGC00253999-01 196715009 tox21-ror-cho-viability-p1 set2 4 -1.97417403 -7.24689334 1.01800845 -7.66322005 -2.23013041 -2.85599656 -4.28015768 -2.05494151 -1.46867982 -3.80384086 -2.88443839 -2.22490793 -2.37365612 0.57214617 -2.58261375 1.154E-9 2.5799999999E-9 5.7689999999E-9 1.29E-8 2.884E-8 6.45E-8 1.4419999999E-7 3.225E-7 7.211E-7 0.000001612 0.000003606 0.0000080619999999 0.00001803 0.00004031 0.00009014 57-30-7 23674889 144210591 A A Phenobarbital sodium [Na+].CCC1(C(=O)N=C([O-])NC1=O)c2ccccc2 Tox21_300271 -NCGC00254252-01 196714596 tox21-ror-cho-viability-p1 set2 4 0.35434938 -0.75505338 3.34437444 0.28354723 -0.36625044 -1.4638902 -1.34345168 -0.64682194 -0.32869972 -2.65664579 4.76414231 -0.4806665 -2.56252757 -0.36376043 -2.61383451 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-35-3 31253 144210669 FNS Myrcene C/C(C)=C\CCC(=C)C=C Tox21_300351 -NCGC00254317-01 196715006 tox21-ror-cho-viability-p1 set2 4 4.8557733675 6.4063263359 -4.9063263359 1.5 0.4 0.3277821779 0.3457171999 -3.88600457 -4.78962222 -1.23681029 -7.83860528 -5.78206771 -6.34550541 -0.63448605 -1.6837145 -1.2622143 -5.8712322 -2.41306437 2.24367379 -2.79486475 -1.38345262 0.89708377 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-14-2 8461 144210811 A F 2,4-Dinitrotoluene Cc1ccc(cc1[N+](=O)[O-])[N+]([O-])=O Tox21_300493 -NCGC00091663-03 196715246 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -13.1055189079 2.5 -10.6055189079 4.5044702849 0.6996092217 0.0390413827 6.16811446 3.6860696 1.76884721 4.39718311 -0.63460552 3.11598509 0.78202275 2.68737824 3.5327815 1.87176265 -0.56368735 1.92150082 3.3579684 1.32189437 -8.00459909 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00254699-01 196714401 tox21-ror-cho-viability-p1 set2 -2.4 54.4826732819 -29.221233696 0.5 -28.721233696 1.752947691 0.9535990686 0.0000056316 -1.98077914 -2.25057508 0.12366168 0.39986655 1.68646343 1.91605087 0.00492656 0.1388554 2.01192839 0.8828651 1.86669196 -0.80316122 -3.73944277 -10.09652631 -20.60102808 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 114369-43-6 86138 144211112 A A Fenbuconazole Clc3ccc(CCC(Cn1cncn1)(C#N)c2ccccc2)cc3 Tox21_300795 -NCGC00091044-02 196714424 tox21-ror-cho-viability-p1 set2 4 -11.53039417 -10.20855999 -16.10679584 -14.73412658 -10.48414312 -21.27766539 -16.15992412 -10.66156053 -19.20303775 -16.29929052 -13.47541134 -13.72162574 -13.85955248 -13.24994815 -11.30584452 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00254814-01 196714821 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -23.2656154399 -0.5 -23.7656154399 4.5044702849 0.9393560916 0.00002429 -2.82893273 0.04871628 -1.44392844 -1.20285308 -1.56107813 1.02452482 0.91910488 0.64110612 -0.3106737 -2.23584933 -1.96789653 0.44865813 -0.17024617 -2.545999 -18.9713462 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18181-70-9 28935 144211227 Iodenphos Clc1cc(I)c(Cl)cc1OP(=S)(OC)OC Tox21_300910 -NCGC00254600-01 196715252 tox21-ror-cho-viability-p1 set2 4 -8.8047911 -5.10326026 -2.43284613 -0.52207765 0.26377946 -2.09949784 -1.09650672 -0.22483128 -7.22052713 -0.84922319 -4.10766597 -2.55931911 -0.82547834 -1.93410942 -3.78283056 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14979-39-6 26989 144211009 I 4-Methyl-3-heptanol CC(CCC)C(O)CC Tox21_300692 -NCGC00254542-01 196715256 tox21-ror-cho-viability-p1 set2 4 0.24272473 -0.54099657 -0.37808807 0.38709064 -0.74484733 -0.17487177 0.6832937 0.62920355 -0.6501711 -1.35910662 -1.48915573 -0.62878914 -0.23896378 -0.01809774 -0.76277283 1.062E-9 2.374E-9 5.309E-9 1.187E-8 2.654E-8 5.935E-8 1.327E-7 2.968E-7 6.636E-7 0.000001484 0.000003318 0.000007419 0.00001659 0.0000371 0.00008295 27323-41-7 24180686 144210910 Dodecylbenzene sulfonate triethanolamine(1:1) OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC.OCCN(CCO)CCO Tox21_300593 -NCGC00258572-01 196715652 tox21-ror-cho-viability-p1 set2 4 -0.5894156 1.23493609 1.98062362 0.34944193 -10.67424865 -1.91587249 0.18133998 0.7875983 -0.44222331 2.2166116 -0.50300654 -2.27361151 2.68238006 2.9092242 -1.64411798 1.156E-9 2.5839999999E-9 5.778E-9 1.292E-8 2.889E-8 6.46E-8 1.444E-7 3.23E-7 7.2219999999E-7 0.000001615 0.000003611 0.000008075 0.000018059999999 0.000040369999999 0.00009028 628-02-4 12332 144208217 A A Hexanamide CCCCCC(N)=O Tox21_201019 -NCGC00258629-01 196715656 tox21-ror-cho-viability-p1 set2 -3 57.8507107855 -74.3102489275 1.1948622509 -73.1153866766 4.9549173134 0.9948838078 0 1.52031134 2.3376963 -1.07058973 2.21425367 1.12215725 3.27726108 2.35928633 0.36904082 2.36593346 -0.27348759 0.84049823 3.01246625 0.64614477 -8.39906253 -64.77411641 1.127E-9 2.52E-9 5.636E-9 1.26E-8 2.8179999999E-8 6.3009999999E-8 1.409E-7 3.15E-7 7.044E-7 0.000001575 0.0000035219999999 0.000007876 0.00001761 0.00003938 0.00008806 472-86-6 6436079 144208274 Bc Cc 13-cis-Retinal CC=1CCCC(C)(C)C=1/C=CC(\C)=C\C=CC(/C)=C\C=O Tox21_201076 -NCGC00260544-01 196711528 tox21-ror-cho-viability-p1 set2 -2.4 5.9738949908 -58.8119234414 -4.843342097 -63.6552655384 1.4641 0.8184677525 0.1489275771 -2.92670502 -2.47095419 -0.41851585 -27.56925062 -3.34940971 -1.70334904 -8.04944081 -1.55394807 -2.85621564 -2.79018304 -10.60458794 -31.09329005 -76.64152087 -13.77859747 -58.82974662 5.9139999999E-10 1.322E-9 2.957E-9 6.612E-9 1.4779999999E-8 3.306E-8 7.392E-8 1.653E-7 3.696E-7 8.2649999999E-7 0.000001848 0.000004133 0.0000092409999999 0.00002066 0.0000462 518-82-1 3220 144210197 A A Emodin Cc3cc2C(=O)c1cc(O)cc(O)c1C(=O)c2c(O)c3 Tox21_202999 -NCGC00255239-01 196711106 tox21-ror-cho-viability-p1 set2 -2.1 27.8821873599 -86.4202112647 2.2234859179 -84.1967253468 1.4163171 0.9883105642 2.1E-9 -0.6553802 3.16765514 3.97974283 3.96264907 -0.68995689 2.98810094 1.72427014 3.54409302 2.50647727 -1.95463617 -0.2975251 -3.37917991 -19.87938561 -36.22536104 -63.78539799 7.4319999999E-10 1.662E-9 3.716E-9 8.31E-9 1.8579999999E-8 4.1549999999E-8 9.2899999999E-8 2.077E-7 4.645E-7 0.000001039 0.000002323 0.0000051929999999 0.000011609999999 0.000025969999999 0.000058059999999 1937-37-7 5359662 144212659 FNS C.I. Direct Black 38 [Na+].[Na+].Nc6ccc(/N=N/c1ccc(cc1)c2ccc(cc2)/N=N/c5c(cc4cc(c(/N=N/c3ccccc3)c(O)c4c5N)S([O-])(=O)=O)S([O-])(=O)=O)c(N)c6 Tox21_302342 -NCGC00260506-01 196711517 tox21-ror-cho-viability-p1 set2 4 -1.6056645 1.71781711 -0.70189688 1.00586271 3.77389023 0.61350343 -0.88948822 -1.45665061 0.09773544 2.12637329 1.61281917 2.49110939 -14.16571689 3.37019841 4.05085747 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.4729999999E-7 3.295E-7 7.367E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.000041179999999 0.00009209 17135-78-3 28308 144210158 A Ac 2-Chloroanthracene Clc1ccc2cc3ccccc3cc2c1 Tox21_202960 -NCGC00260374-01 196711524 tox21-ror-cho-viability-p1 set2 4 50.7385090571 13.5638212359 -5.0638212359 8.5 4.4494702849 0.41591066 0.2571390666 -1.21538953 -3.65141849 -6.31890066 -3.95372247 -2.20636984 -4.107193 0 -2.27710767 -1.66324522 -12.8544982 -8.20291835 -14.21985103 -6.14470773 -1.0029156 7.721391 1.224E-9 2.7369999999E-9 6.1199999999E-9 1.3679999999E-8 3.0599999999E-8 6.8419999999E-8 1.5299999999E-7 3.421E-7 7.649E-7 0.00000171 0.000003825 0.0000085519999999 0.00001912 0.00004276 0.00009562 371-40-4 9731 144210026 A F 4-Fluoroaniline Fc1ccc(N)cc1 Tox21_202828 -NCGC00249905-01 196723388 tox21-ror-cho-viability-p1 set3 4 37.5780357627 34.6798150601 1.3201849399 36 0.9999999999 0.6105383728 0.0894343708 -0.78707103 2.5273572 -1.16003955 4.28777326 3.48391458 -3.06651255 -1.36038875 -0.37203487 7.13127681 1.85809037 9.77420395 8.83019093 2.12694572 5.23241967 28.50339288 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 131-67-9 8573 170466477 A A Phthalofyne O=C(O)c1ccccc1C(=O)OC(C)(C#C)CC Tox21_113681 -NCGC00159365-04 196722966 tox21-ror-cho-viability-p1 set3 4 37.5780357627 23.85649178 2.14350822 26 4.9549173134 0.5373907353 0.1460115562 8.75816808 -0.271238 3.52272965 6.47057744 0 -0.47334212 10.94926744 2.99708934 -5.71374315 1.46916548 3.56099185 -4.67069406 2.07538818 0.8903393 20.84353953 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122-46-3 67406 170466849 F m-Cresyl acetate O=C(C)Oc1cc(C)ccc1 Tox21_111606_1 -NCGC00183871-04 196722972 tox21-ror-cho-viability-p1 set3 4 9.4391758155 7.4716642479 -1.9716642479 5.5 4.9549173134 0.4304337298 0.2442367953 -1.11360379 -5.75697936 -0.61130923 0.13879686 1.12948102 1.45333528 2.17919676 1.52518632 -4.2311536 -6.64305354 -5.32933142 -5.61706919 2.06727669 3.30596636 7.56036444 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21312-10-7 65280 170466005 A N-Acetyl sulfamethoxazole Cc2cc(NS(=O)(=O)c1ccc(NC(C)=O)cc1)no2 Tox21_113591_1 -NCGC00016251-13 196722973 tox21-ror-cho-viability-p1 set3 4 23.7101376556 33.97406434 1.52593566 35.5 0.5 0.6086741331 0.0906897507 6.19135683 5.49339218 -0.07574592 -6.22838695 7.10494274 2.38375207 -1.53631204 -0.89372655 8.55112334 14.78327017 13.81547506 9.46403155 9.09644637 12.92302062 26.90739726 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-66-9 4911 170464839 A Probenecid O=S(=O)(N(CCC)CCC)c1ccc(cc1)C(=O)O Tox21_110328_1 -NCGC00260094-01 196723787 tox21-ror-cho-viability-p1 set3 4 0.27222735 -5.803101196 2 -3.803101196 4.9549173134 0.4255545578 0.2654774369 -6.50258433 -1.2633993 3.19553114 0.67407154 5.78869264 5.1391891 7.43069015 -3.38738034 -4.6263497 -2.56576466 -4.498561 -3.56433429 -2.92426539 -3.76920688 10.52884539 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.5809999999E-8 1.472E-7 3.291E-7 7.358E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.00004113 0.00009198 482-89-3 5318432 144209743 F F Indigo O=C3c4ccccc4N/C3=C2/Nc1ccccc1C2=O Tox21_202545 -NCGC00357204-01 196723789 tox21-ror-cho-viability-p1 set3 4 -5.50278971 -0.93785417 2.13400234 -6.01447127 -6.396015 -4.10294827 0.94915729 -2.94447059 3.11605144 -4.59418851 -2.35995507 -1.42659538 -6.08732701 -1.498826 1.49272514 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5949-05-3 443157 251919795 A (S)-(-)-Citronellal C\C(C)=C\CC[C@H](C)CC=O Tox21_303980 -NCGC00260596-01 196723804 tox21-ror-cho-viability-p1 set3 4 0.0007497804 12.545548912 -10.045548912 2.5 4.9549173134 0.4411919354 0.2343741859 -7.12129076 2.76532957 2.6356234 -3.45850848 3.11215672 4.89018894 1.17202124 1.58246299 3.03600128 3.11458023 1.18287571 1.57525756 3.87520618 1.65755554 10.37843529 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49492 144210249 M M NTP Mix35 CT1 1-EQP Tox21_203051 -NCGC00094819-07 196697677 tox21-ror-cho-viability-p1 set1 -2.1 26.6032120037 -75.7072547714 0.096150373 -75.6111043984 2.8472712143 0.9891585734 1.3E-9 -1.14787836 -0.41956231 -2.00418927 1.26232348 1.83311415 1.64758393 0.43105468 -4.8691816 1.28860013 0.61337099 -0.83286526 1.15745919 -3.83931587 -25.49463839 -62.20538212 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 141-94-6 3607 170465729 D Hexetidine CCC(CCCC)CN1CC(C)(N)CN(CC(CCCC)CC)C1 Tox21_110424_1 -NCGC00164547-06 196723418 tox21-ror-cho-viability-p1 set3 4 0.6682424727 -6.9133553679 -0.5 -7.4133553679 3.1319983358 0.8925177532 0.0008346732 -0.14431877 -0.80931973 -1.43753109 -2.42311001 -1.71137544 -0.98518312 -0.30532509 1.45897902 -0.48438083 -6.08410545 -6.67547786 -6.55019001 -8.67779614 -7.2322314 9.98010704 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 107753-78-6 5717 170464673 A Zafirlukast Cc1ccccc1S(=O)(=O)NC(=O)c5ccc(Cc3cn(C)c2ccc(cc23)NC(=O)OC4CCCC4)c(OC)c5 Tox21_112176_1 -NCGC00356987-01 196723816 tox21-ror-cho-viability-p1 set3 4 4.66623084 3.14059563 1.45474828 9.86219524 5.76382887 4.21787047 9.14506472 1.99055691 -0.31251861 2.98702582 3.08742038 3.47925133 2.20749625 -1.92787273 6.6217723 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5742-17-6 57358267 251919714 A 2,4-D, isopropylamine salt Clc1cc(Cl)ccc1OCC(=O)O.CC(C)N Tox21_303714 -NCGC00091499-05 196697676 tox21-ror-cho-viability-p1 set1 4 -2.77924058 -0.22369257 -3.75729415 -1.48726028 -3.11432401 -7.50737113 -1.97295212 -0.97156743 -6.65709553 0.5749344 -0.62555234 -1.08495855 -1.57836066 -5.93300477 3.63910908 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00093560-05 196697680 tox21-ror-cho-viability-p1 set1 4 -1.3341917 -0.78591373 -4.5122521 -4.19187551 -2.16947212 -2.3778409 -3.43215276 -4.02949504 -0.35974336 -3.10099765 1.86246729 -2.53757172 -4.77356572 -5.5013731 -8.31205654 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98319-26-7 57363 170464818 A Finasteride CC(C)(C)NC(=O)[C@H]4CC[C@@H]3[C@]4(C)CC[C@H]1[C@H]3CC[C@H]2NC(=O)C=C[C@]12C Tox21_110717_1 -NCGC00015917-06 196698080 tox21-ror-cho-viability-p1 set1 4 0.61659105 0.76012219 -4.1522333 -2.73793436 -4.46552483 -0.13452992 -0.4286693 -0.64381933 0.78960566 -3.77261071 0.06013563 -2.6486703 -2.77287498 -2.56710731 -0.67248287 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 1197334-04-5 11957707 170466892 A SB 206553 hydrochloride Cl.Cn4ccc3cc1c(CCN1C(=O)Nc2cccnc2)cc34 Tox21_111278_1 -NCGC00091759-02 196729400 tox21-ror-cho-viability-p1 set3 4 -0.61622823 1.1952213 3.42578201 0.24793312 1.22793843 5.67169113 0.32042293 -2.80946098 0.03924526 5.96588775 1.16718371 3.39586086 -2.16857422 2.13956522 -0.58883482 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00066947-05 196729386 tox21-ror-cho-viability-p1 set3 4 -0.30564228 -5.13822973 -17.03528032 0.28027644 -1.98645556 0 -8.36779536 -0.80457395 -21.06354053 0 -6.45414976 0 -12.36042047 -5.85486404 -5.9302357 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00257694-01 196729392 tox21-ror-cho-viability-p1 set3 4 62.1889150983 -17.517071204 0.5 -17.017071204 2.9022712143 0.8908360957 0.0005086535 -1.35922035 0.60751515 2.23280458 0.89118375 1.36111017 1.6560624 -0.33519121 1.49124287 -0.98539106 1.95249672 2.07852965 -0.27240352 -1.86289562 -2.898146 -12.93089267 1.197E-9 2.676E-9 5.9839999999E-9 1.338E-8 2.992E-8 6.69E-8 1.496E-7 3.345E-7 7.48E-7 0.000001673 0.00000374 0.000008363 0.000018699999999 0.000041819999999 0.0000935 600-05-5 11746 144207338 FC 2,3-Dibromopropionic acid BrC(CBr)C(=O)O Tox21_200140 -NCGC00257857-01 196729404 tox21-ror-cho-viability-p1 set3 4 -2.41855175 1.84214721 0.0188618 1.35876885 2.5707234 -4.48465175 -1.13082622 0.79953275 1.40008434 0.594956 0 0 -8.54046981 5.72507622 2.62151135 1.183E-9 2.644E-9 5.913E-9 1.322E-8 2.9559999999E-8 6.611E-8 1.4779999999E-7 3.305E-7 7.3909999999E-7 0.0000016529999999 0.0000036949999999 0.000008263 0.00001848 0.00004132 0.00009239 20702-77-6 30231 144207501 A A Neohesperidin dihydrochalcone COc1ccc(cc1O)CCC(=O)c2c(O)cc(cc2O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O Tox21_200303 -NCGC00257775-01 196729800 tox21-ror-cho-viability-p1 set3 4 1.95257477 -7.16012903 0.24032042 0.22501407 -2.27767362 -0.58602332 -0.26168634 -0.06785297 -2.31203401 -1.22670365 0.8333278 -7.39234653 0.00718548 0.70558007 2.65884244 1.149E-9 2.569E-9 5.744E-9 1.284E-8 2.872E-8 6.422E-8 1.436E-7 3.211E-7 7.1799999999E-7 0.000001606 0.0000035899999999 0.000008028 0.00001795 0.00004014 0.00008976 75-77-4 6397 144207419 FC Chlorotrimethylsilane C[Si](C)(C)Cl Tox21_200221 -NCGC00257564-01 196729808 tox21-ror-cho-viability-p1 set3 4 19.1543877204 12.140423212 -1.140423212 11 1.5385888099 0.7951847658 0.0124920532 -0.38412233 0.92464813 -1.87986676 -1.1178831 0.1699778 -1.74940123 0.06090782 -2.07854283 -0.55597676 -4.28368601 1.37492136 1.67558609 4.04025588 8.33114532 -4.15241863 1.171E-9 2.618E-9 5.8549999999E-9 1.3089999999E-8 2.927E-8 6.546E-8 1.464E-7 3.2729999999E-7 7.3179999999E-7 0.0000016359999999 0.0000036589999999 0.000008182 0.0000183 0.000040909999999 0.00009148 1490-04-6 1254 144207208 A A Menthol CC(C)C1CCC(C)CC1O Tox21_200010 -NCGC00255603-01 196729065 tox21-ror-cho-viability-p1 set3 4 0.0216899429 -9.186392668 10 0.813607332 4.9549173134 0.4627329707 0.2125850357 0.12211886 17.66805193 7.13562458 15.42887356 -1.19239687 -0.49455395 -1.82199389 -1.57919816 6.67709193 -1.15311671 0.13558261 2.92447318 3.02338208 -0.33180192 1.60913963 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 53219-21-9 29096 144212708 A A Dihydromyrcenol CC(C)(O)CCCC(C)C=C Tox21_302391 -NCGC00255296-01 196728648 tox21-ror-cho-viability-p1 set3 -2.2 48.5577336745 -49.3413778763 -0.484811306 -49.8261891823 3.0654483358 0.9255128531 0.0000712768 0.64703827 -2.22588111 -4.87072677 -1.73601947 1.34680321 4.38464062 -4.04351355 -1.17936695 -3.23189668 6.79796974 -3.78445992 1.15142883 0.61848346 -21.34611588 -43.05014332 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15791-78-3 5360487 144212204 B B C.I. Disperse Blue 27 [O-][N+](=O)c4ccc(O)c2c4C(=O)c1c(ccc(O)c1C2=O)Nc3ccc(CCO)cc3 Tox21_301887 -NCGC00255899-01 196729047 tox21-ror-cho-viability-p1 set3 4 1.67334044 2.07969881 2.52448529 5.13723561 3.58297011 5.14262068 9.6629357 -2.23599816 2.10316152 1.85227477 -1.92768681 -1.89687875 5.00774786 4.31819865 -2.03982403 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-38-6 6636 144211641 A A Fenson Clc2ccc(OS(=O)(=O)c1ccccc1)cc2 Tox21_301324 -NCGC00255531-01 196729057 tox21-ror-cho-viability-p1 set3 -1.1 1.2197151236 -95.1400062147 2.1256089044 -93.0143973103 0.7999999999 0.980681399 3.88E-8 6.83051459 -2.93476572 -0.96411761 -1.13446197 -1.57522138 -4.89614901 -7.60938622 -25.67977817 -42.18231055 -52.20249694 -54.93528125 -74.47516881 -90.65730732 -90.64923611 -82.17887672 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2767-54-6 17701 144211722 A Triethyltin bromide Br[Sn](CC)(CC)CC Tox21_301405 -NCGC00257990-01 196729462 tox21-ror-cho-viability-p1 set3 4 0.35109737 0.21720325 -0.44550393 1.22556478 0.96496534 1.73482304 -0.80940238 2.86742946 6.48188262 2.90506856 -0.03629679 0.95965219 0.08501416 1.03320819 -0.30602483 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.4699999999E-7 3.2859999999E-7 7.3479999999E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004108 0.00009185 108-11-2 7910 144207634 A A 4-Methyl-2-pentanol CC(C)CC(C)O Tox21_200436 -NCGC00257921-01 196729472 tox21-ror-cho-viability-p1 set3 4 -0.89089872 -0.29371453 0.36335812 -0.85582843 1.31425093 0.15649807 0.38704851 -1.55485623 -0.8158071 0.67833099 -1.07028756 -0.83590486 2.36163514 -2.12561402 1.17270612 1.149E-9 2.569E-9 5.744E-9 1.284E-8 2.872E-8 6.422E-8 1.436E-7 3.211E-7 7.1799999999E-7 0.000001606 0.0000035899999999 0.000008028 0.00001795 0.00004014 0.00008976 80-62-6 6658 144207565 FNS Methyl methacrylate C=C(C)C(=O)OC Tox21_200367 -NCGC00258377-01 196729480 tox21-ror-cho-viability-p1 set3 4 -2.06193226 1.40764009 3.45324604 -0.85924784 5.07046317 2.92993496 1.10409177 -0.14739277 0.06851096 6.99354809 1.80469073 3.47871613 -0.60346634 1.75596837 2.91531967 1.162E-9 2.599E-9 5.811E-9 1.299E-8 2.9059999999E-8 6.4969999999E-8 1.453E-7 3.249E-7 7.264E-7 0.000001624 0.000003632 0.000008122 0.00001816 0.00004061 0.0000908 90-13-1 7003 144208021 A Ac 1-Chloronaphthalene Clc2cccc1ccccc12 Tox21_200823 -NCGC00016626-04 196716679 tox21-ror-cho-viability-p1 set2 4 3.19054021 -7.64320655 -2.78226883 -3.04295952 0.54230574 -5.72060672 -0.32399283 -4.97692382 -3.29623972 -3.58891647 -3.82002119 -2.69697131 -0.76647031 -7.22251608 1.09797911 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3413-64-7 3083802 170466594 A Mefexamide hydrochloride Cl.CCN(CC)CCNC(=O)COc1ccc(cc1)OC Tox21_111353_1 -NCGC00257895-01 196715389 tox21-ror-cho-viability-p1 set2 4 -2.84854937 -2.57304847 -7.03492922 -2.16922136 0.23281812 -2.26312431 -0.0691807 0.592481 -3.57491666 -3.6741973 0.70604171 -1.21770647 -2.16213488 -2.85761894 -0.43442622 1.173E-9 2.622E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.3299999999E-7 0.0000016389999999 0.000003665 0.000008195 0.00001832 0.000040969999999 0.00009162 611-32-5 11910 144207539 A A 8-Methylquinoline Cc1cccc2cccnc12 Tox21_200341 -NCGC00258673-01 196715409 tox21-ror-cho-viability-p1 set2 4 0.3419309 1.42047471 0.3966727 2.65880291 -1.67203501 2.22186071 0.05514801 1.34308087 0.99866418 1.60193316 2.79000624 4.99107101 6.91091656 5.47930529 8.20160632 1.1989999999E-9 2.6809999999E-9 5.995E-9 1.3409999999E-8 2.998E-8 6.703E-8 1.4989999999E-7 3.351E-7 7.494E-7 0.000001676 0.000003747 0.000008378 0.00001873 0.00004189 0.00009367 4097-22-7 20039 144208319 A A 2',3'-Dideoxyadenosine Nc3ncnc2c3ncn2[C@H]1CC[C@@H](CO)O1 Tox21_201121 -NCGC00258291-01 196715410 tox21-ror-cho-viability-p1 set2 4 4.29282352 0.47379619 1.07000077 0.5996082 2.30664907 -0.56982126 0.33142855 1.09717618 0.07536156 0.04875484 0.09007267 -0.49223804 1.69829659 1.27167484 1.9130895 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.5809999999E-8 1.472E-7 3.291E-7 7.358E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.00004113 0.00009198 121-89-1 8494 144207935 A A 3-Nitroacetophenone O=[N+]([O-])c1cc(ccc1)C(C)=O Tox21_200737 -NCGC00257571-01 196716262 tox21-ror-cho-viability-p1 set2 4 -1.53697248 -1.71178713 -4.16239212 -1.20949477 -1.97638102 -5.67204207 -7.3537469 -1.09759106 -4.17805601 1.53032781 2.10026576 -3.04714984 -4.87880113 -3.94878548 -2.21702898 1.193E-9 2.667E-9 5.964E-9 1.333E-8 2.982E-8 6.6669999999E-8 1.491E-7 3.3339999999E-7 7.4539999999E-7 0.0000016669999999 0.0000037269999999 0.0000083339999999 0.00001864 0.00004167 0.00009318 554-95-0 11138 144207215 A A 1,3,5-Benzenetricarboxylic acid OC(=O)c1cc(cc(c1)C(=O)O)C(=O)O Tox21_200017 -NCGC00257902-01 196716266 tox21-ror-cho-viability-p1 set2 4 -3.07903157 -0.5581218 1.68565384 1.94072696 -5.88667476 -6.2672823 -5.27642461 0.25607164 2.80825633 1.91101951 2.45639752 -1.84148011 -4.54584576 -2.19272244 2.00416959 1.187E-9 2.6549999999E-9 5.937E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.3189999999E-7 7.421E-7 0.000001659 0.0000037099999999 0.000008297 0.00001855 0.000041479999999 0.00009276 633-65-8 12456 144207546 A A Berberine chloride [Cl-].COc2ccc1cc3c4cc5OCOc5cc4CC[n+]3cc1c2OC Tox21_200348 -NCGC00258527-01 196716664 tox21-ror-cho-viability-p1 set2 4 70.0570117753 -21.156135364 -2.0997155 -23.255850864 4.9549173134 0.8766713966 0.0009116256 -0.48944927 -3.90697364 -3.68084679 -0.08309625 -5.67534099 -1.09192502 -1.52392703 -3.04710067 -3.49527828 -3.36671208 -1.67125828 -2.78477431 -0.28268402 -2.05803055 -19.37987572 1.2009999999E-9 2.686E-9 6.005E-9 1.3429999999E-8 3.003E-8 6.714E-8 1.501E-7 3.3569999999E-7 7.506E-7 0.0000016779999999 0.000003753 0.0000083919999999 0.000018769999999 0.00004196 0.000093829999999 42019-78-3 123504 144208172 A A 4-Hydroxy-4'-chlorobenzophenone O=C(c1ccc(Cl)cc1)c2ccc(O)cc2 Tox21_200974 -NCGC00093802-06 196716680 tox21-ror-cho-viability-p1 set2 4 0.2984929481 -4.518605336 4.5 -0.018605336 4.9549173134 0.4850738102 0.1943345558 1.75944175 -0.21913911 2.19474249 3.80081219 6.49626782 6.31215619 9.61581002 6.54914134 0.71461267 0.15426755 0.37180953 -0.84883778 0.07452076 0.65661803 0.2028713 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53-43-0 5881 170465614 Z Dehydroepiandrosterone O=C4CC[C@@H]3[C@]4(C)CC[C@H]2[C@H]3CC=C1C[C@@H](O)CC[C@@]12C Tox21_111222_1 -NCGC00016878-04 196717082 tox21-ror-cho-viability-p1 set2 4 -1.19815573 -2.70695988 -0.32095602 -1.9006624 -2.7772688 -1.0155328 -3.45243644 -2.17459514 -1.15785205 -3.8396869 -3.34572823 -5.69107242 -0.56517448 -2.80707647 -0.83145269 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55837-27-9 4849 170465869 A Piretanide O=C(O)c2cc(c(Oc1ccccc1)c(c2)N3CCCC3)S(N)(=O)=O Tox21_110661_1 -NCGC00091499-05 196717090 tox21-ror-cho-viability-p1 set2 4 3.4376242854 -6.52737832 1 -5.52737832 1.5094870999 0.3905623041 0.2822598007 0.39432968 -0.0308818 -2.08030039 -2.61966118 -0.57778976 -1.3232951 7.16482221 9.33703525 -1.35829399 -2.72513423 -1.69409501 -3.41057127 -4.6736229 -7.1061486 -4.68850897 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00090698-04 196717093 tox21-ror-cho-viability-p1 set2 4 9.6885416101 -11.9820868159 4 -7.9820868159 0.7999999999 0.7612996795 0.0164836491 2.95232462 -0.35914277 6.24610235 3.48890179 4.85304583 7.49870968 5.65953643 3.41318985 0.35809942 0.59981892 0.30944172 0.0110982 -3.15940624 -7.06840568 -5.12878604 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00262946-01 196717096 tox21-ror-cho-viability-p1 set2 4 0.95364651 0.04375549 -0.44993404 -0.356325 -0.80661073 -1.20730452 1.71305567 -0.03249984 1.86291447 7.05184219 8.13237817 6.33006541 0.9116796 1.32776034 1.41708338 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 73590-85-9 155794 170466189 A F Omeprazole sulfide Cc3c(OC)c(C)cnc3CSc1nc2cc(ccc2n1)OC Tox21_113939 -NCGC00016000-13 196713192 tox21-ror-cho-viability-p1 set2 -1.1 0.1571515804 -50.2547911145 0.0987663689 -50.1560247456 4.9549173134 0.8033213782 0.0073901108 -0.25295177 1.85119083 -2.04246483 -1.59618223 1.25842576 -0.03272533 -21.38685209 -59.6482336 -60.1248612 -51.94940757 -40.67946282 -37.56404009 -38.82600523 -28.71906155 -82.16114548 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00160162-04 196716909 tox21-ror-cho-viability-p1 set2 4 -2.30438456 -4.8094961 2.57942042 2.94415593 -0.944083 -2.14425458 1.66485619 0.05288847 -1.72067002 -2.94382333 0.20682823 -6.39983299 2.08089707 -2.56644333 1.75952598 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 539-15-1 68313 170466820 Z Hordenine Oc1ccc(CCN(C)C)cc1 Tox21_111748_1 -NCGC00015060-14 196716910 tox21-ror-cho-viability-p1 set2 4 1.5261657969 -7.20063964 2.5 -4.70063964 2.09374246 0.6523220775 0.0751479509 1.10320846 0.71034545 1.16984993 2.28443004 6.98793182 3.28214153 3.38444044 1.08963955 -0.43373993 0.02654999 -3.02511769 -7.6671997 -6.05507965 -0.49356315 17.12619592 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00160389-09 196716912 tox21-ror-cho-viability-p1 set2 4 0.68421944 -0.34165153 1.17406432 0.71870589 0.15510478 3.38006761 3.28698365 4.5833148 -0.77836651 0.61877267 -0.19890408 -0.26682058 0.34682098 -0.35686216 -2.40109905 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52315-07-8 2912 170466657 F Cypermethrin Cl/C(Cl)=C/C3C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C Tox21_113579_1 -NCGC00160546-02 196712776 tox21-ror-cho-viability-p1 set2 4 -1.44258139 1.23546439 1.31628172 0.24756582 -2.12788107 0.64671971 -4.39774481 -3.27791251 -1.66968962 -4.13243252 -4.0160954 -5.3074409 -0.11943329 -0.45643588 1.98642013 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 321-55-1 9454 170466328 A Haloxon O=P(OCCCl)(OCCCl)Oc1ccc2c(c1)OC(=O)C(Cl)=C2C Tox21_111889_1 -NCGC00094811-06 196712781 tox21-ror-cho-viability-p1 set2 4 5.76748012 4.42972956 5.31380276 -0.73188901 3.31282093 0.37481507 2.61860943 4.1932304 2.9367064 0.21841393 -0.90103366 4.21979046 -0.9227624 3.56050909 2.87672094 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64092-48-4 16220118 170466073 A Sodium zomepirac [Na+].Cc2cc(CC([O-])=O)n(C)c2C(=O)c1ccc(Cl)cc1 Tox21_111006_1 -NCGC00179496-04 196712786 tox21-ror-cho-viability-p1 set2 4 -3.49793334 -3.62586476 -2.32439598 -2.0135296 -2.51967777 -0.07913706 0.04267261 -4.70885415 -1.87991285 -4.49973672 -0.08108384 0.44096816 1.81400843 1.01788295 0.21709778 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 965-52-6 13764 170466382 A Nifuroxazide O=[N+]([O-])c2ccc(\C=N/NC(=O)c1ccc(O)cc1)o2 Tox21_110491_1 -NCGC00181356-02 196713195 tox21-ror-cho-viability-p1 set2 4 -5.77646312 -5.27905318 -5.72768515 -4.63056292 -5.07608374 -2.31178955 -5.12080908 -6.12664496 -5.17359347 -1.74215117 -10.65505362 -1.16364806 -2.07246052 -1.50150645 -4.58534133 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6577-41-9 168884 170465824 A Oxapium iodide [I-].C[N+]1(CCCCC1)CC2COC(O2)(C3CCCCC3)c4ccccc4 Tox21_112814_1 -NCGC00091468-02 196713197 tox21-ror-cho-viability-p1 set2 4 -2.56177584 -4.88633762 0.15915021 -0.91517285 -2.82879042 -5.71062717 -3.4001881 -4.62938543 -0.42074236 -0.52272457 0.27363631 0.01668022 0.67295509 0.29944044 4.01575063 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00094985-05 196713603 tox21-ror-cho-viability-p1 set2 4 -1.03483576 -1.97908465 0.48444263 -2.98421979 -1.3784332 1.28641161 -1.45009791 0.50649328 -1.09701271 -1.75744894 -1.283583 0.94110048 -1.68416879 0.97227151 -2.70482961 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 148-01-6 3092 170465727 A Zoalene Cc1c(cc(cc1[N+](=O)[O-])[N+]([O-])=O)C(N)=O Tox21_111374_1 -NCGC00164503-02 196713604 tox21-ror-cho-viability-p1 set2 4 -0.79364663 -2.05591668 -1.6903727 -1.41177765 -2.95642209 0.5063704 -0.5663299 -1.13735222 -1.27464067 0.42096146 -0.21886515 0.39621253 1.53338278 6.3873586 3.563814 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15518-87-3 71873 170466551 A Myralact OCCNCCCCCCCCCCCCCC.O=C(O)C(C)O Tox21_112141_1 -NCGC00262910-01 196713608 tox21-ror-cho-viability-p1 set2 4 0.10581254 -0.56125126 -2.03442428 -1.73855637 4.8104313 4.47100815 2.17876742 2.81074595 -1.8506942 3.42495095 1.16494633 4.93925192 4.09128486 -1.76509793 1.32400511 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4093-29-2 77720 170466678 A A Methyl 4-acetamido-o-anisate COc1cc(ccc1C(=O)OC)NC(C)=O Tox21_113908 -NCGC00254434-01 196714021 tox21-ror-cho-viability-p1 set2 4 4.79294823 0.49083224 0.7815863 -1.97340309 4.58099051 0.81749226 -1.12372958 -1.1048384 2.87718695 2.7326294 -1.20195792 3.16421026 3.11481542 1.87599111 5.87710653 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 647-42-7 69537 144210837 A 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol FC(F)(C(F)(F)CCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300519 -NCGC00015542-07 196698511 tox21-ror-cho-viability-p1 set1 4 0.13555275 8.41940973 2.72192167 0.2808077 4.26522098 2.23687685 1.56491502 6.50149464 1.69209053 0.07302433 -0.49990748 2.9412419 2.4137228 0.87383077 -0.25872015 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50847-11-5 3671 170466049 A Ibudilast CC(C)C(=O)c1c2ccccn2nc1C(C)C Tox21_113503_1 -NCGC00254183-01 196698891 tox21-ror-cho-viability-p1 set1 4 -6.75931647 0.80673012 -3.03155835 1.41948751 -3.32988778 -4.09104735 0.37803887 0.95361016 -0.13965532 -3.25102801 3.3387001 -2.25151926 9.42953219 0.43355322 -0.08305185 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-61-9 3102 144210378 A A Benzophenone O=C(c1ccccc1)c2ccccc2 Tox21_300058 -NCGC00254702-01 196698900 tox21-ror-cho-viability-p1 set1 4 -0.22696529 0.1015268 0.14733041 0.2771386 -2.27854071 -1.66742025 -1.99262535 0.55597584 -2.11942715 3.01021664 4.18613345 0.60101325 0.51471432 -0.07599543 0.81067419 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10052-47-8 82326 144211115 A N,N-Diethyl-N-methylethanaminium chloride [Cl-].CC[N+](C)(CC)CC Tox21_300798 -NCGC00254316-01 196698926 tox21-ror-cho-viability-p1 set1 4 1.08098353 -1.0300306 1.39202101 -0.68417455 0.69228189 0.64740809 -0.70357797 -14.23130066 0.52155957 -0.15706362 1.69593828 -6.90379696 -0.04415012 0.34714608 -1.08213483 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2058-94-8 77222 144210923 Perfluoroundecanoic acid FC(F)(C(F)(F)C(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300606 -NCGC00015042-11 196698512 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -13.985437376 0 -13.985437376 4.9549173134 0.7669077015 0.0151133748 0.08810518 1.41876346 0.9692391 -0.54752326 0.24044718 0.1667968 -0.46441405 0.34510372 -4.21618487 0.5790869 -0.51164496 0.48828555 -3.67364917 0.94295094 -12.48786448 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 179113-91-8 5283389 170466894 A N-Arachidonylglycine O=C(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)NCC(=O)O Tox21_110070_1 -NCGC00254062-01 196698905 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -33.555793612 1.5 -32.055793612 4.9549173134 0.9337275734 0.0000386711 0.31951617 -1.88923322 2.95583961 3.03936095 -1.98554677 0.96332442 3.84794894 2.32533242 3.91558901 -0.5792435 1.24934346 2.30155801 0.15540043 -0.70810239 -25.87982801 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-71-8 7453 144210406 A A 4-(Butan-2-yl)phenol Oc1ccc(cc1)C(C)CC Tox21_300086 -NCGC00254123-01 196699324 tox21-ror-cho-viability-p1 set1 4 3.77979985 1.40539628 1.18717816 3.71367198 2.46389589 2.28910552 -2.11280777 0.96326082 2.8428356 2.96779858 2.65258943 4.01069529 4.21726506 -2.68896251 3.81050842 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-23-1 7289 144210604 AC A 1,3-Dichloro-2-propanol ClCC(O)CCl Tox21_300284 -NCGC00254794-01 196699338 tox21-ror-cho-viability-p1 set1 4 30.6378586933 8.863496652 -4.863496652 4 1.271561 0.4111652181 0.2636073814 -3.31919274 -8.63624721 -3.22787397 -2.74552785 -7.51519695 -5.82410095 -1.3424414 -7.43073284 0.13234563 -8.43532705 -3.29066994 -4.16695804 0.28532526 -1.42314504 2.9860737 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-75-7 1486 144211207 A A 2,4-Dichlorophenoxyacetic acid Clc1cc(Cl)ccc1OCC(=O)O Tox21_300890 -NCGC00254789-01 196699741 tox21-ror-cho-viability-p1 set1 4 -1.57459186 -2.68119439 -0.83499919 -6.72463283 -4.42150416 -1.06669917 0.19708752 -0.07980055 -2.118449 -3.12850046 -2.61412806 0.03629597 -0.37700097 -3.39928612 -1.71068595 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10213-75-9 25053 144211202 A A 3-((2-Ethylhexyl)oxy)propionitrile CCCCC(COCCC#N)CC Tox21_300885 -NCGC00254661-01 196699760 tox21-ror-cho-viability-p1 set1 4 -0.78040621 1.06992261 2.74729806 -0.95004292 0.22249743 1.49419561 -1.23118451 -1.76559861 -0.310919 -0.62808554 1.19421567 2.33464897 2.50658255 0.56194728 0.42220829 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1009-93-4 66094 144211074 Fns Fns 2,2,4,4,6,6-Hexamethyl-1,3,5,2,4,6-triazatrisilinane C[Si]1(C)N[Si](C)(C)N[Si](C)(C)N1 Tox21_300757 -NCGC00255159-01 196700162 tox21-ror-cho-viability-p1 set1 4 4.8557733675 -13.903848704 -2 -15.903848704 0.7999999999 0.6235610447 0.0939911918 0.96257914 -5.11343841 -1.80778251 -2.34491622 -0.91771645 -5.95284658 0.27071146 -1.29162194 -5.93217129 -2.65487167 -14.75560391 -5.41185454 -14.91987392 -12.2716587 -2.9575423 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-44-5 5281515 144211814 A Fns beta-Caryophyllene C=C2CCC=C(C)CC[C@@H]1[C@@H]2CC1(C)C Tox21_301497 -NCGC00255188-01 196700168 tox21-ror-cho-viability-p1 set1 4 38.5707788719 -19.547433864 -2 -21.547433864 0.7999999999 0.4613879409 0.2140313294 -11.64942409 -1.2402634 -0.9876113 -2.04609508 -1.44430268 1.1361122 -4.12706087 -5.81849618 -7.59516591 -8.3941516 0.02257631 -2.55496077 -5.84510275 -16.28952822 -16.14403607 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 134308-13-7 4659569 144212731 A A Tolcapone Oc1cc(cc([N+]([O-])=O)c1O)C(=O)c2ccc(C)cc2 Tox21_302414 -NCGC00255377-01 196700170 tox21-ror-cho-viability-p1 set1 4 1.35861686 0.33546668 3.99403673 1.1538053 1.28297799 2.62811725 1.85660864 5.72277788 4.3280992 2.449973 0.7544436 2.55863027 8.43981204 6.62064587 3.4474896 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58-85-5 171548 144212478 A A Biotin O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1 Tox21_302161 -NCGC00091011-05 196719165 tox21-ror-cho-viability-p1 set2 3 61.130564862 74.2150505697 -2.6892359154 71.5258146543 3.9899729863 0.9145509245 0.0001450436 -3.66773677 0.31066127 -3.97469156 1.01205614 -9.8849676 -3.99092691 -6.59767947 -4.03505467 -11.02308013 -1.12781197 -3.50274573 6.06491557 7.74734192 9.14723042 59.74612468 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00257471-01 196718759 tox21-ror-cho-viability-p1 set2 4 -4.94755952 -7.35674847 -0.55460749 -0.40715878 -2.96108143 -0.94763652 -6.53047993 -2.91025043 1.84986327 1.66436771 -7.71913258 1.00667567 -5.26679081 -0.71001103 -5.32721513 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81-90-3 66494 144213949 A A Phenolphthalin Oc1ccc(cc1)C(c2ccccc2C(=O)O)c3ccc(O)cc3 Tox21_303646 -NCGC00257259-01 196719168 tox21-ror-cho-viability-p1 set2 4 -2.31482344 0.34010234 -3.73169213 -1.75448502 -0.58779535 -6.31061903 -4.02441362 -1.27889402 0.68347729 0.63562106 -1.59378024 -0.14435198 -1.79548641 -0.25218111 -0.01328345 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 611-70-1 69144 144213742 A A Isopropyl phenyl ketone O=C(C(C)C)c1ccccc1 Tox21_303431 -NCGC00257096-01 196719174 tox21-ror-cho-viability-p1 set2 4 -0.64457586 0.25833798 0.30153916 -0.33081751 1.61279832 2.58675918 0.22089448 4.87363746 -0.42827388 0.12934073 1.37592558 0.14693178 -1.05342692 3.30606762 0.37613626 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-41-4 8183 144213620 F Fns 1-Dodecene CCCCCCCCCCC=C Tox21_303303 -NCGC00256941-01 196719179 tox21-ror-cho-viability-p1 set2 4 0.79933825 0.1078725 0.53773653 0.60399101 -2.65952091 -0.31403293 -0.15812163 -4.58521492 -10.22298152 -4.68287613 -4.05713859 1.02828454 -0.30589872 0.55687183 1.11509082 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 598-72-1 11729 144213543 Ac 2-Bromopropionic acid BrC(C)C(=O)O Tox21_303226 -NCGC00025104-09 196717112 tox21-ror-cho-viability-p1 set2 4 2.1131682429 -8.2721217159 4 -4.2721217159 1.0999999999 0.5039381708 0.1758163804 -0.04480595 0.34720012 2.55895832 3.7058794 3.83731898 8.78414234 8.99550186 5.91016534 0.15192404 1.16429551 0.0784645 -0.19882527 -5.4338692 1.03657204 -7.31010143 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 74772-77-3 2750 170466553 A Ciglitizone CC1(CCCCC1)COc3ccc(CC2SC(=O)NC2=O)cc3 Tox21_112120_1 -NCGC00182037-01 196716695 tox21-ror-cho-viability-p1 set2 4 0.98704785 -0.21759381 1.34585107 -0.13175867 4.44290152 4.79734431 5.11575099 0.92172425 -0.13694978 4.12308674 2.1145221 1.56565705 -0.60764749 0.07654943 1.21289808 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 74258-86-9 71992 144206457 A A Alacepril O=C(N[C@@H](Cc1ccccc1)C(=O)O)[C@@H]2CCCN2C(=O)[C@H](C)CSC(C)=O Tox21_112904 -NCGC00091010-03 196716712 tox21-ror-cho-viability-p1 set2 -2.2 29.8492948118 -60.9065940479 -2.762911196 -63.6695052439 4.5044702849 0.9730594209 2.634E-7 -2.54379819 -8.47920462 -3.0935714 -3.77647478 -1.04550748 -2.08028354 -2.97948317 -2.83622592 -1.84865431 1.23785759 -1.04705404 -2.38176524 -7.16193774 -11.9985307 -56.39125437 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 538-71-6 10866 170465494 A Domiphen bromide [Br-].CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 Tox21_111054_1 -NCGC00178840-05 196717110 tox21-ror-cho-viability-p1 set2 3 33.4914596268 73.5329286001 0.6069166219 74.139845222 4.9549173134 0.977307645 9.84E-8 1.34842663 -0.51118987 1.68348797 0.22318851 1.21348799 -0.84810599 5.86700536 6.01966889 -1.05390287 -0.10769199 -1.12565949 -1.4442654 -0.58647649 5.49370378 65.15538358 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 642-78-4 23675320 170465404 A Cloxacillin sodium [Na+].O=C([O-])[C@@H]3N4C(=O)[C@@H](NC(=O)c2c(C)onc2c1ccccc1Cl)[C@H]4SC3(C)C Tox21_110744_1 -NCGC00179599-03 196717118 tox21-ror-cho-viability-p1 set2 2.4 37.5780357627 24.101571424 1.898428576 26 4.9549173134 0.7837549511 0.0110404268 0.04606003 -0.02257949 1.68829634 4.62592546 6.06382849 4.41137603 4.81284765 5.39849041 -0.99870008 -1.75130952 0.0921162 0.04087276 0.4756908 1.46608591 21.1648543 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62893-20-3 23663974 170465235 A Cefoperazone sodium [Na+].O=C1C(=O)N(CC)CCN1C(=O)N[C@H](c2ccc(O)cc2)C(=O)N[C@@H]5C(=O)N4C(=C(CSc3nnnn3C)CS[C@@H]45)C([O-])=O Tox21_111367_1 -NCGC00091044-02 196717121 tox21-ror-cho-viability-p1 set2 4 -0.23600017 1.39388082 0.36368985 2.25744012 4.42846042 0.96013949 -5.07916812 -0.02039901 1.09048306 0.68639723 3.52940931 1.87146643 0.75819309 -0.69258796 1.48368182 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00254225-01 196715262 tox21-ror-cho-viability-p1 set2 4 -0.27757542 0.06932893 0.51055776 0.05637157 1.14443846 3.12847852 -2.67140983 0.22860953 0.37342157 0.64928467 2.0043623 4.00213994 1.72173478 0.69543924 2.55865755 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 151-21-3 3423265 144210469 A Sodium dodecyl sulfate [Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC Tox21_300149 -NCGC00091210-02 196715277 tox21-ror-cho-viability-p1 set2 -2.4 61.130564862 -21.413391336 -2.5 -23.913391336 3.9294729863 0.8176508972 0.0054159343 -0.18514855 -1.76424574 -2.99920794 -5.49399904 -1.2914387 -1.2338478 -2.46285464 -2.67100802 -3.72471278 -5.28487282 -3.6449428 -6.67746885 1.65252065 -6.55836678 -20.34449278 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00257818-01 196715278 tox21-ror-cho-viability-p1 set2 4 -0.83655407 0.63256751 0.1671174 1.18650947 -1.95920766 -0.72837652 -3.85593162 0.93307307 -0.62574179 -3.41835792 -0.42570729 -0.69604403 -3.21214945 -1.35477304 -1.16311403 1.158E-9 2.5899999999E-9 5.79E-9 1.2949999999E-8 2.8949999999E-8 6.474E-8 1.448E-7 3.2369999999E-7 7.238E-7 0.000001618 0.000003619 0.000008092 0.000018089999999 0.00004046 0.000090469999999 3710-84-7 19463 144207462 D N,N-Diethylhydroxylamine CCN(O)CC Tox21_200264 -NCGC00258679-01 196715682 tox21-ror-cho-viability-p1 set2 4 1.46645985 2.40632502 4.56989785 2.0760204 3.00418562 0.85663585 0.57741102 2.87883787 2.72506416 1.21244107 1.24852944 4.47695593 2.07354569 3.09289871 2.05301545 1.2169999999E-9 2.7209999999E-9 6.084E-9 1.36E-8 3.042E-8 6.802E-8 1.521E-7 3.401E-7 7.604E-7 0.0000016999999999 0.0000038019999999 0.000008502 0.00001901 0.00004251 0.00009506 540-84-1 10907 144208325 FNS 2,2,4-Trimethylpentane CC(C)CC(C)(C)C Tox21_201127 -NCGC00258595-01 196715685 tox21-ror-cho-viability-p1 set2 4 2.33442786 3.38875289 -0.32681964 3.13237294 -0.81625128 3.0530143 3.50486468 3.63158536 3.54105303 2.77497827 1.96726704 -1.58481867 -2.17975148 4.63828289 1.81995934 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008241 0.000018429999999 0.00004121 0.00009214 7320-37-8 23741 144208240 AC Fns 1,2-Epoxyhexadecane CCCCCCCCCCCCCCC1CO1 Tox21_201042 -NCGC00178432-05 196713213 tox21-ror-cho-viability-p1 set2 4 3.22034708 -1.4543623 0.95706471 -1.11218905 3.6137881 0.35827483 -0.23113716 -1.37404801 -0.16560935 2.61548924 -1.2225301 3.39092382 1.89067696 -0.42659793 2.26050695 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 207801-27-2 6419962 170466540 B Yohimbic acid monohydrate O.O=C(O)[C@H]2[C@@H](O)CC[C@H]3CN4CCc1c5ccccc5nc1[C@@H]4C[C@H]23 Tox21_110776_1 -NCGC00167528-02 196713208 tox21-ror-cho-viability-p1 set2 4 -6.07587491 -6.92976181 -0.17919737 -1.11745262 -0.18805225 -5.18454599 -4.82847724 -3.21294438 -3.22975677 0.27772256 -1.11431947 -0.00583875 0.60530985 -1.1247868 -0.43475917 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122852-69-1 60758 170465416 A Alosetron hydrochloride Cl.Cc4ncnc4CN1CCc3c(C1=O)c2ccccc2n3C Tox21_112525_1 -NCGC00015829-12 196713209 tox21-ror-cho-viability-p1 set2 4 3.40251937 2.64849047 2.32981301 3.12724683 0.46837805 1.13834853 5.70609028 0.8245655 2.92943885 -1.47726324 0.70405994 -0.58219956 2.28695215 2.1550302 2.25181029 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53-60-1 5887 170464766 A Promazine hydrochloride Cl.CN(C)CCCN1c3ccccc3Sc2ccccc12 Tox21_110235_1 -NCGC00016642-04 196713212 tox21-ror-cho-viability-p1 set2 4 0.60008906 -0.49630613 0.91506699 -0.53144214 -0.04895272 0.89129316 0.90990585 0.60730256 1.18576624 -0.84911177 0.43264632 0.32314078 -0.16921579 1.06752605 -8.33510382 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3819-00-9 19675 170465363 A Piperacetazine CC(=O)c2cc3N(CCCN1CCC(CCO)CC1)c4ccccc4Sc3cc2 Tox21_110540_1 -NCGC00244580-01 196713216 tox21-ror-cho-viability-p1 set2 -2.4 68.5896218971 -28.76250146 1 -27.76250146 4.9549173134 0.9270180882 0.0000645081 2.62601924 1.45675748 3.13313424 3.83749691 3.54249819 1.32671301 -0.50438186 -0.15808044 0.11497589 -0.47055037 -1.18593606 -0.32314348 -1.16081811 -1.09274022 -22.30208455 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00163128-08 196713220 tox21-ror-cho-viability-p1 set2 4 2.44748905 3.13290566 1.66938484 -1.25122364 1.17041003 -0.08445464 1.86986648 3.67342726 2.64911712 1.47058483 3.38892979 -1.30249223 0.35927051 -2.50293959 0.17430188 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112529-15-4 60560 170465116 A Pioglitazone hydrochloride Cl.CCc1ccc(nc1)CCOc3ccc(CC2SC(=O)NC2=O)cc3 Tox21_111440_1 -NCGC00021124-05 196713226 tox21-ror-cho-viability-p1 set2 4 0.34567662 9.76408865 8.67389248 0.64158863 -1.17748492 -2.11448657 -3.14224069 -1.77361255 -1.23943222 -1.6738489 0.53706061 8.88830822 0.74112183 3.01402246 11.49255382 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14007-64-8 27368 170466569 A Butetamate CCC(C(=O)OCCN(CC)CC)c1ccccc1 Tox21_110860_1 -NCGC00090858-02 196713229 tox21-ror-cho-viability-p1 set2 4 -1.56365099 0.11322791 -1.05931696 -1.15907514 -0.07358288 0.53258195 -1.44058664 -3.77388026 1.13929792 0.26136087 -1.6492617 0.08213536 -3.88322465 0.69848167 -1.09172271 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00255416-01 196701407 tox21-ror-cho-viability-p1 set1 4 -0.73354652 -2.60906902 0.01177486 1.33492859 -2.56260069 -1.7100473 0.26505064 -1.84457983 -0.67317653 -1.63542116 -2.4168553 -2.00029572 0.92355064 0.5570675 1.57962663 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-26-3 99016 144212256 A A 2-(1-Methylbutyl)phenol Oc1ccccc1C(C)CCC Tox21_301939 -NCGC00255851-01 196701000 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -16.1753019119 1.5 -14.6753019119 4.0449729863 0.8391002618 0.0031652196 -0.17654139 -0.60194443 1.79959807 2.02764018 2.57504665 3.73780327 2.94917188 1.81460255 -0.43223923 1.60842146 3.65049217 1.13633243 -0.46854843 -0.08065167 -10.97941826 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1135-66-6 11127402 144212570 D F (-)-Isolongifolene CC2(C)C3=CCCC(C)(C)[C@]13C[C@@H]2CC1 Tox21_302253 -NCGC00255300-01 196701003 tox21-ror-cho-viability-p1 set1 4 1.12982539 0.61828521 2.20556829 0.40204687 2.65210237 0.80131707 0.23567419 -0.12979517 -0.15115013 2.81430213 5.24628503 2.59609422 1.91084246 1.86822326 0.63241547 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 137-42-8 5366415 144212678 Ac Metam-sodium [Na+].[S-]C(=S)NC Tox21_302361 -NCGC00255710-01 196701009 tox21-ror-cho-viability-p1 set1 4 67.1969539882 12.250918768 -2.750918768 9.5 4.9549173134 0.6484948189 0.0661122267 -6.87576564 -2.06841771 -1.5746212 -5.7613166 -3.85570462 -5.48697715 -0.68683969 -2.5578982 -0.84175542 -0.84942739 -2.8546845 -1.46307747 -1.1935981 -2.71525244 7.46073607 1.16E-9 2.5929999999E-9 5.798E-9 1.297E-8 2.8989999999E-8 6.4829999999E-8 1.45E-7 3.241E-7 7.2479999999E-7 0.000001621 0.000003624 0.000008103 0.00001812 0.00004052 0.000090599999999 56375-79-2 91822 144212417 A A N,N-Dibutyl-N-methylbutan-1-aminium chloride [Cl-].CCCC[N+](C)(CCCC)CCCC Tox21_302100 -NCGC00255484-01 196700202 tox21-ror-cho-viability-p1 set1 -1.3 1.0738198092 -39.2548874783 -1.6148532892 -40.8697407675 2.4063783767 0.3483159792 0.6723874716 -6.23799592 -0.02769762 -4.32197292 3.80134735 2.28917378 2.36235742 -8.99411173 -7.46471494 -10.08335331 -23.96994977 -76.22373097 -59.43235465 80.27461981 31.43315498 -63.93443539 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 60506-81-2 108956 144212039 D Dipentaerythritol pentaacrylate O=C(OCC(COCC(CO)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C Tox21_301722 -NCGC00255259-01 196700179 tox21-ror-cho-viability-p1 set1 4 2.11099218 -1.27798075 -1.47960317 -1.34399739 3.26157197 4.39304217 0.72012799 2.722319 -0.94065114 7.44631615 6.63653125 2.42864909 -1.47052403 11.33787593 3.11208591 8.7889999999E-10 1.965E-9 4.394E-9 9.826E-9 2.1969999999E-8 4.913E-8 1.099E-7 2.457E-7 5.493E-7 0.000001228 0.0000027469999999 0.000006141 0.000013729999999 0.00003071 0.00006866 4680-78-8 20803 144211996 F FD&C Green No. 1 [Na+].CC/[N+](Cc1cccc(c1)S([O-])(=O)=O)=C2\C=C/C(C=C2)=C(/c3ccccc3)c4ccc(cc4)N(Cc5cccc(c5)S([O-])(=O)=O)CC Tox21_301679 -NCGC00255785-01 196700183 tox21-ror-cho-viability-p1 set1 4 0.7761112 1.63093545 2.44846099 -2.62998609 -5.57763465 -3.90229232 0.24388905 -0.15990834 -4.96394801 -14.84749556 -5.34215312 1.36264846 -4.95373069 -1.27013596 -1.94652755 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2038-03-1 408285 144212388 Ac Ac 2-Morpholinoethylamine NCCN1CCOCC1 Tox21_302071 -NCGC00255187-01 196700187 tox21-ror-cho-viability-p1 set1 4 -2.58126369 -4.6549156 -0.35505038 0.06188403 -4.73637941 -0.44513382 2.59856217 -6.03932594 1.63235074 -4.49047248 -7.13958478 1.90831566 -3.54974366 1.16962159 -0.81773381 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68-22-4 6230 144212744 A A Norethindrone O=C4CC[C@H]3C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@@]1(O)C#C)=C4 Tox21_302427 -NCGC00256024-01 196700597 tox21-ror-cho-viability-p1 set1 4 68.5896218971 13.7670166719 -4.7670166719 9 4.9549173134 0.5537847332 0.1336462501 -4.51016731 -3.39576003 -9.38918056 -3.23093112 -2.11505748 -9.24371836 -3.30211534 -4.7319814 -5.96172172 -3.11699041 -1.93967506 -6.0284938 -0.40530617 -5.48396213 6.60110951 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-45-6 8432 144212663 A A 1-Phenylethyl propionate CCC(=O)OC(C)c1ccccc1 Tox21_302346 -NCGC00255451-01 196700612 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -24.988142404 0.5 -24.488142404 4.9549173134 0.7957043139 0.0087424983 0.87525862 -0.24317774 3.15490232 1.08971745 -1.91123274 1.65324424 4.11345705 1.93687165 -0.83002225 1.42231772 -0.62802257 2.69898369 -6.12305125 1.34453588 -18.74011867 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 959-98-8 12309460 144211898 A Fns Endosulfan I ClC1=C(Cl)[C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)[C@H]2COS(=O)OC[C@H]23 Tox21_301581 -NCGC00255533-01 196701020 tox21-ror-cho-viability-p1 set1 4 0.61972609 -0.09924872 0.46871457 0.60789994 0.18337058 3.76871515 2.40311659 3.08951804 0.16157369 4.53543807 1.3235227 3.39172001 0.51390255 3.62210946 4.04070212 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2179-57-9 16590 144212495 F F Diallyl disulfide C=CCSSCC=C Tox21_302178 -NCGC00255412-01 196701027 tox21-ror-cho-viability-p1 set1 4 0.0096885416 15.398061232 -17.398061232 -2 1.8851180601 0.9311955329 0.1157528736 -44.93354957 -16.99838436 -12.43339489 -7.67432417 -4.03031064 -2.25561572 -0.92721887 -1.64372128 -0.95833163 -3.50428073 1.19624764 -4.04383885 -2.13820604 -0.88648917 -2.71480323 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-71-6 31355 144211561 A B Triisobutyl phosphate CC(C)COP(=O)(OCC(C)C)OCC(C)C Tox21_301244 -NCGC00018221-08 196725322 tox21-ror-cho-viability-p1 set3 4 31.0121236216 -18.252473568 8 -10.252473568 2.09374246 0.5606730765 0.1268443927 2.50714441 1.2797988 4.81002893 6.15531498 13.75414939 12.61321915 13.05199927 0 13.45718926 12.97413792 9.09792023 6.14068039 2.46397496 -3.34592345 -8.96039464 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00091830-04 196724921 tox21-ror-cho-viability-p1 set3 4 -5.47391381 0.16696482 0.01331978 1.97897419 -4.40138036 5.45541777 3.27634748 -0.4312874 -4.39868689 1.05216172 -4.03672335 -2.12771084 -4.9445447 -0.48222966 -8.61089158 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00260497-01 196724923 tox21-ror-cho-viability-p1 set3 4 6.8226829392 -10.55442264 2.5 -8.05442264 4.9549173134 0.4732022165 0.2204155201 -3.30907012 0.7626219 -1.57713239 4.19392846 4.3441706 6.06710976 5.08886895 7.71997375 -4.55756625 3.13182326 1.31986601 3.52270026 -7.5453522 -6.88766574 2.49991071 6.002E-10 1.342E-9 3.001E-9 6.7099999999E-9 1.5E-8 3.355E-8 7.502E-8 1.678E-7 3.7509999999E-7 8.3879999999E-7 0.0000018759999999 0.000004194 0.0000093779999999 0.000020969999999 0.00004689 935-69-3 71593 144210149 F A 7-Methyladenine Nc1ncnc2ncn(C)c12 Tox21_202951 -NCGC00357189-01 196724924 tox21-ror-cho-viability-p1 set3 4 -3.9687305 -0.53204704 5.61132331 -2.95353505 -5.4989929 2.00159884 7.66029061 -3.47949212 -3.09971368 -2.41321295 -1.89319576 -2.68586887 0.43713525 -0.07832944 -10.21118983 5.917E-7 0.0000013229999999 0.000002959 0.0000066159999999 0.000014789999999 0.000033079999999 0.00007397 0.0001654 0.0003698 0.00082699999999 0.001849 0.004135 0.0092459999 0.0206699999 0.04623 68424-85-1 8755 251919696 A Quaternary ammonium compounds, benzyl-C12-16-alkyldimethyl, chlorides [Cl-].C[N+](C)(Cc1ccccc1)CCCCCCCCCCCCCC Tox21_303955 -NCGC00178703-05 196725419 tox21-ror-cho-viability-p1 set3 4 33.4914596268 -21.248646872 -1 -22.248646872 4.9549173134 0.7367099387 0.0238468962 -2.02138097 0 -5.19968227 -2.58918458 4.44710346 -0.84546451 0.90077517 4.15407839 -2.90418684 -3.19628554 -3.73421936 -2.26078363 -0.71194039 -1.52107251 -18.54053906 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 546-48-5 60196260 170465036 A Pempidine d-tartaric acid CC1(C)CCCC(C)(C)N1C.O=C(O)[C@@H](O)[C@H](O)C(=O)O Tox21_110313_1 -NCGC00090955-06 196724987 tox21-ror-cho-viability-p1 set3 4 0.0105909295 5.2937631441 1.2062368559 6.5 2.3331733767 0.3924997126 0.2978610479 0.25015063 2.68622544 -0.24480262 3.73210912 2.98769569 9.66425803 4.51746825 10.91567603 7.28653669 5.74456788 10.59885711 5.75373346 2.62866086 1.33367498 1.05093114 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 101-83-7 7582 170466864 A Dicyclohexylamine C1CCCCC1NC2CCCCC2 Tox21_111044_1 -NCGC00094557-06 196724996 tox21-ror-cho-viability-p1 set3 4 0.0334914596 -5.104335884 2 -3.104335884 3.5117481694 0.4942493466 0.1853835544 4.45987305 0.29225478 4.22098999 0.34285583 1.13364064 0.41042369 -5.7064811 -1.3951455 -6.09752834 -6.33694657 -5.10331997 2.37139197 -2.78984912 -0.09135148 -3.09956369 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3011-89-0 2075 170466191 A 2-Chloro-4-nitrobenzamide O=C(N)c1ccc(cc1Cl)[N+]([O-])=O Tox21_111296_1 -NCGC00015970-11 196725000 tox21-ror-cho-viability-p1 set3 4 -4.70644896 -6.92559644 2.30728323 -1.42483344 -5.89335112 1.86941685 -5.74876403 0.45681949 -5.12341681 -3.15415698 -4.84224856 -5.13781922 -5.3277984 1.03957609 -3.9375259 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 38194-50-2 1548887 170464648 A Sulindac CS(=O)c1ccc(cc1)/C=C3\c2ccc(F)cc2C(CC(=O)O)=C3C Tox21_110270_1 -NCGC00015360-08 196725420 tox21-ror-cho-viability-p1 set3 2.2 10.3183374548 31.103129156 0.896870844 32 3.9294729863 0.9225661769 0.0000874892 2.77858024 -0.00054707 1.43102201 -1.57793601 3.53726841 2.96347065 6.80477077 0.47359899 1.712848 -0.31694099 -0.68392353 -1.75260763 -1.48522617 16.15131067 31.02056373 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 67-43-6 3053 170465150 A Pentetic acid O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O Tox21_110131_1 -NCGC00015669-07 196725817 tox21-ror-cho-viability-p1 set3 1.2 0.0530803864 62.9973065105 -5.797585799 57.1997207115 0.4 0.7654729977 0.0151476947 3.44531659 3.35513345 0 0 32.72967641 39.35431412 37.12348271 15.69756852 36.14792495 32.73057648 39.23567436 57.97585799 54.03661515 54.88030435 48.23488774 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17780-75-5 28767 170466297 A Clorgyline hydrochloride Cl.Clc1cc(Cl)ccc1OCCCN(C)CC#C Tox21_111243_1 -NCGC00188943-03 196725820 tox21-ror-cho-viability-p1 set3 4 0.0053080386 15 1 16 3.9899729863 0.5742817508 0.1310054871 1.36051692 1.28712801 1.27893731 11.59938648 19.75355819 15.5767316 19.52675218 16.54824742 16.3229256 19.73671712 19.77303516 20.55593428 8.10922668 1.41716631 6.72809885 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 65-86-1 967 170465761 A Orotic acid OC(=O)c1cc(O)nc(O)n1 Tox21_111121_1 -NCGC00095156-06 196725826 tox21-ror-cho-viability-p1 set3 4 4.68810275 2.1619235 5.98382117 5.05235229 0 1.36641888 -0.08075457 0.61861763 -2.50261232 18.81923465 5.82896631 5.76265674 4.91566852 6.96504084 10.17869659 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6804-07-5 5353472 170466261 A Carbadox O=C(OC)N\N=C\c2c[n+]([O-])c1ccccc1[n+]2[O-] Tox21_111456_1 -NCGC00160553-03 196717947 tox21-ror-cho-viability-p1 set2 4 0.53902734 0.12685602 0.13383127 3.15870719 4.59053844 2.09750014 2.16838219 4.57022452 0.31775667 1.19304582 0.91306702 1.0863386 -4.62776466 1.38469317 -1.34760699 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82-66-6 6719 170466609 F Diphacinone O=C2c1ccccc1C(=O)C2C(=O)C(c3ccccc3)c4ccccc4 Tox21_111893_1 -NCGC00254816-01 196720447 tox21-ror-cho-viability-p1 set3 4 4.6307046038 -7.185383024 6 -1.185383024 4.9549173134 0.3678136943 0.319468966 8.65619506 0.40821028 -1.98799636 11.4333831 4.42164264 8.60403908 6.99777945 4.91538672 4.00659769 11.78929568 -3.87870739 3.34370551 -0.45638983 -4.32115252 4.49080851 2.017E-9 4.5099999999E-9 1.008E-8 2.255E-8 5.042E-8 1.1269999999E-7 2.521E-7 5.637E-7 0.00000126 0.000002818 0.0000063019999999 0.000014089999999 0.00003151 0.000070459999999 0.00015759999999 556-61-6 11167 144211229 FNS Methyl isothiocyanate C\N=C=S Tox21_300912 -NCGC00254330-01 196720448 tox21-ror-cho-viability-p1 set3 4 0.216899429 17.6090869679 -13.6090869679 4 0.3 0.8008467427 0.0078826204 -12.17423914 -12.00229127 -7.01075347 -3.5249985 -10.70087467 -9.38460069 -3.50165154 -4.25922783 -1.81830153 -3.66768273 -0.03128249 -1.83178467 1.10591138 1.86079253 2.21917044 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 924-16-3 13542 144210743 A Bc N-Nitrosodibutylamine CCCCN(CCCC)N=O Tox21_300425 -NCGC00021925-03 196717955 tox21-ror-cho-viability-p1 set2 4 -4.41476188 -2.84755195 -3.99979844 -0.65902045 -1.4912124 -2.10267257 0.36056811 -3.10440885 -4.03342507 -5.18482776 -3.74621348 -3.22336096 -3.40019127 -2.29700322 1.81985171 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52-21-1 5834 170464632 A Prednisolone acetate CC(=O)OCC(=O)[C@@]4(O)CC[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_111328_1 -NCGC00025177-08 196717950 tox21-ror-cho-viability-p1 set2 4 0.69973262 1.84242762 0.28564079 2.79491542 5.07124182 1.24492898 7.29038858 5.93133394 0.96457184 1.00439244 3.41803155 4.46534551 4.11306649 1.10114765 5.84468903 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 145-63-1 5361 170466101 F Suramin O=S(=O)(O)c1cc(cc2c1c(ccc2S(=O)(=O)O)NC(=O)c8cc(NC(=O)c3cc(ccc3)NC(=O)Nc4cccc(c4)C(=O)Nc5cc(ccc5C)C(=O)Nc7ccc(c6cc(cc(c67)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)c(C)cc8)S(=O)(=O)O Tox21_112045_1 -NCGC00262916-01 196717954 tox21-ror-cho-viability-p1 set2 4 0.2984929481 13.0987112439 -13.0987112439 0 4.9549173134 0.664291616 0.0558964038 -7.91051842 -9.82739888 -7.01237771 -18.4227808 -7.67218911 -23.83225937 -13.88415625 -17.93674947 -0.85237176 -4.8208513 0.089625 1.21289117 0.45704036 -0.0249669 1.58773498 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52605-52-4 13035120 170466726 A F 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine hydrochloride Cl.Clc1cccc(c1)N2CCN(CCCCl)CC2 Tox21_113914 -NCGC00253684-01 196717956 tox21-ror-cho-viability-p1 set2 4 0.37014676 -1.3271771 1.07103311 -0.34568249 -0.2952218 0.50989915 -0.82153697 1.41295031 -1.69099839 -3.55508232 -2.59770138 -4.05189757 -1.79674792 -1.51488797 -2.76176661 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 40807-61-2 96387 170466774 Z A 4-Phenylpiperidin-4-ol OC1(CCNCC1)c2ccccc2 Tox21_113808 -NCGC00024567-03 196717957 tox21-ror-cho-viability-p1 set2 4 0.3349145963 -7.742529832 4.5 -3.242529832 3.5117481694 0.7576009608 0.0174773363 5.07766497 0.44574242 4.11939205 5.23694064 4.21920475 6.65381563 6.05104859 3.71493056 0.13067102 -3.24251558 -0.45969973 -3.24551319 -3.77806154 -8.11877486 -0.36826985 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 115-79-7 8288 170465386 A Ambenonium chloride [Cl-].[Cl-].Clc2ccccc2C[N+](CC)(CC)CCNC(=O)C(=O)NCC[N+](Cc1ccccc1Cl)(CC)CC Tox21_112030_1 -NCGC00257257-01 196718368 tox21-ror-cho-viability-p1 set2 -1.2 19.3311819617 -33.5568832199 -1.5 -35.0568832199 1.9673362061 0.9753493507 1.587E-7 -2.86725017 -1.83560581 -0.30958877 0.12940795 -1.80519131 -3.30297587 -3.28285547 -0.20887673 1.73951316 -3.20155679 -2.03637943 -5.05724856 -19.75079953 -26.74802174 -34.21406935 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 686756-87-6 10345790 144213718 A A PharmaGSID_48519 Brc1ccccc1N2Cc3cnc(nc3N(C)C2=O)Nc4ccc5OC(COc5c4)CO Tox21_303407 -NCGC00256724-01 196718369 tox21-ror-cho-viability-p1 set2 4 0.38968086 0.34338118 0.30517264 -3.59111463 0.64636217 -0.77541749 -0.3535726 0.98279155 0.58702867 0.09045794 -0.21606265 0.82072659 2.58317994 1.02669213 2.99471179 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 1118-39-4 14235 144212885 F F 2-methyl-6-methylideneoct-7-en-2-yl acetate C=CC(=C)CCCC(C)(C)OC(C)=O Tox21_302568 -NCGC00257461-01 196718774 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -18.349706144 1.5 -16.849706144 4.9549173134 0.807137633 0.0069099101 0.89448283 -2.59715205 1.7610379 0.58230627 2.66157955 0.54310108 1.59371192 4.52410197 2.38141884 0.27001573 -0.00827729 5.03391017 2.9900969 1.67903928 -13.62475512 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-95-8 6619 144213887 A A 2,2',6,6'-Tetrachlorobisphenol A Clc1cc(cc(Cl)c1O)C(C)(C)c2cc(Cl)c(O)c(Cl)c2 Tox21_303582 -NCGC00257111-01 196718775 tox21-ror-cho-viability-p1 set2 4 -1.13183392 2.74276616 -0.01531945 3.50276387 0.32435518 2.33049507 0.91317411 5.25982551 1.47798602 -0.41720417 -2.26057102 3.15226305 6.13738918 1.25227663 0.74199919 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-00-2 66688 144213536 A A 2,2'-(3-Chlorophenylimino)diethanol Clc1cc(ccc1)N(CCO)CCO Tox21_303219 -NCGC00018223-06 196713642 tox21-ror-cho-viability-p1 set2 -2.2 23.7101376556 -46.0475843588 3 -43.0475843588 1.752947691 0.9699623475 4.902E-7 4.98739092 5.06180294 5.38297574 4.96234888 2.8897103 3.41953573 3.34260364 0.12249465 1.7641583 1.81130476 0.76304984 1.15825544 -5.95737352 -14.31118469 -33.36938209 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13636-18-5 5702162 170466175 A Fendiline hydrochloride Cl.CC(NCCC(c1ccccc1)c2ccccc2)c3ccccc3 Tox21_111351_1 -NCGC00094524-09 196713638 tox21-ror-cho-viability-p1 set2 4 1.05767646 -1.05117838 -0.28911955 0.64328186 5.35624909 4.76846263 5.65466487 5.48165079 0.23060655 4.69849989 -0.75083997 -0.73838464 -0.12290992 -4.33378697 -0.04257943 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122-34-9 5216 170466806 A Simazine Clc1nc(NCC)nc(NCC)n1 Tox21_111291_1 -NCGC00254284-01 196714047 tox21-ror-cho-viability-p1 set2 4 -1.38823154 -8.51251056 -6.46995423 -7.38956877 -6.68135918 -3.2693154 -6.50451191 -7.22038158 -10.16653295 -5.20193293 -3.88552936 -3.74318189 -3.10770611 -4.64283832 -0.8799859 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1843-05-6 15797 144210802 A A Octabenzone O=C(c1ccc(cc1O)OCCCCCCCC)c2ccccc2 Tox21_300484 -NCGC00254779-01 196714048 tox21-ror-cho-viability-p1 set2 4 0.1376425 -0.39722492 0.288928 0.29907628 0.5985424 -0.41244077 0.22961903 0.16856232 0.53288822 3.48968565 0.66121099 2.73195675 7.35402952 4.69313503 7.84364702 1.309E-9 2.927E-9 6.5449999999E-9 1.463E-8 3.272E-8 7.317E-8 1.6359999999E-7 3.658E-7 8.181E-7 0.000001829 0.00000409 0.000009146 0.00002045 0.00004573 0.00010229999999 695-06-7 12756 144211192 A Ac gamma-Caprolactone O=C1CCC(CC)O1 Tox21_300875 -NCGC00164127-03 196714464 tox21-ror-cho-viability-p1 set2 -2.4 68.5896218971 -35.152156976 -0.5 -35.652156976 3.2974983358 0.959846322 0.0000025207 0.57086626 -2.36996527 -0.22599225 -2.59197845 0.3534375 0.21086195 0.26345559 -0.30777843 0.62551656 0.42476497 -0.92250402 2.74874849 -2.61111165 -5.70161277 -26.37679748 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00254812-01 196714475 tox21-ror-cho-viability-p1 set2 4 66.28896875 -17.135398656 -1 -18.135398656 4.9549173134 0.8269083375 0.0043635093 -3.26500119 -2.30875101 -2.00606033 -0.82256434 0.73503628 -2.99984254 0.73231645 -2.33825264 0.00023238 -3.53811551 0.75940958 -0.93396975 0.5842869 -1.51379726 -14.27949888 1.042E-9 2.3289999999E-9 5.2079999999E-9 1.165E-8 2.604E-8 5.8229999999E-8 1.302E-7 2.912E-7 6.511E-7 0.000001456 0.0000032549999999 0.0000072789999999 0.00001628 0.0000364 0.00008138 4574-04-3 20708 144211225 A A Myristyltrimethylammonium chlorideN,N,N-Trimethyltetradecan-1-aminium chloride [Cl-].C[N+](C)(C)CCCCCCCCCCCCCC Tox21_300908 -NCGC00254036-01 196714876 tox21-ror-cho-viability-p1 set2 4 0.05234305 -2.86069693 0.00977694 -1.81805496 -4.0512748 2.77064253 -0.90024968 -12.66367927 0.8340224 -2.09633449 -3.63765424 -5.56692138 -0.48085277 -4.61596139 0.39810523 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-61-6 8441 144210459 A A Dimethyl terephthalate COC(=O)c1ccc(cc1)C(=O)OC Tox21_300139 -NCGC00254181-01 196714878 tox21-ror-cho-viability-p1 set2 4 -1.81011524 0.95293662 -0.79745304 -0.74834745 1.93783306 -2.23012193 2.31090919 0.56975374 -0.88750112 0.7598152 3.14986503 5.37050004 0.67152725 3.93646788 4.19320041 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-13-6 1176 144210355 A Urea NC(N)=O Tox21_300035 -NCGC00254769-01 196714884 tox21-ror-cho-viability-p1 set2 4 -1.30787192 -1.86405771 2.05057107 1.59551754 1.95046559 3.80246845 0.75002973 1.05004666 1.49651825 2.20742993 3.41567715 5.14037601 3.84245014 4.44699942 -1.66000977 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 36734-19-7 37517 144211182 A A Iprodione O=C2CN(C(=O)NC(C)C)C(=O)N2c1cc(Cl)cc(Cl)c1 Tox21_300865 -NCGC00258347-01 196715291 tox21-ror-cho-viability-p1 set2 4 4.47611401 1.79443169 1.85764471 2.49995737 1.86639795 5.65035364 0.26687374 1.85438294 4.07422261 0.37187115 -0.02748093 0.57140331 0.33553096 1.43760816 2.99399579 1.188E-9 2.657E-9 5.942E-9 1.3289999999E-8 2.971E-8 6.6429999999E-8 1.4849999999E-7 3.321E-7 7.427E-7 0.0000016609999999 0.000003714 0.000008304 0.00001857 0.00004152 0.00009284 504-24-5 1727 144207991 A A 4-Aminopyridine Nc1ccncc1 Tox21_200793 -NCGC00018221-08 196715300 tox21-ror-cho-viability-p1 set2 4 5.30019851 -0.28423234 -0.03769567 -2.0310508 3.97341029 3.72516554 0.6287508 -3.15665831 -2.08325107 0.85762296 0.72786038 3.25972308 -4.59264213 -0.24265573 -2.7360394 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00258667-01 196715304 tox21-ror-cho-viability-p1 set2 4 3.82869582 1.23385089 4.15919598 3.78559905 1.85271022 4.30645959 1.1896976 2.81723054 1.82220941 4.88841845 2.02197276 2.69983556 0.19563356 -1.85889586 1.25387167 1.1609999999E-9 2.5969999999E-9 5.8069999999E-9 1.298E-8 2.903E-8 6.492E-8 1.4519999999E-7 3.246E-7 7.258E-7 0.000001623 0.000003629 0.000008115 0.000018149999999 0.00004057 0.00009073 NOCAS_24858 2879 144208313 D m,p-Cresol mixture Cc1ccc(O)cc1 Tox21_201115 -NCGC00260557-01 196711988 tox21-ror-cho-viability-p1 set2 4 -1.93358204 -8.57917459 -5.60703219 -5.87915914 -2.78553357 -1.60222004 -12.4807838 -8.25392387 -7.58874296 -3.75771003 0 -1.38522963 0 -7.33677462 -7.53449216 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49453 144210210 M M NTP Mix65 CT1 62-EQP Tox21_203012 -NCGC00256202-01 196711152 tox21-ror-cho-viability-p1 set2 4 54.4826732819 8.9728134959 -1.4728134959 7.5 2.3531167061 0.437083916 0.2401584804 -0.14124623 -6.22734458 0.03759308 -3.62602568 -5.23529822 -0.69485848 -0.14678525 0.94748027 -0.28802019 -0.19526616 0.85742505 -3.19653036 0.25035601 1.21265652 5.65126655 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3010-96-6 76382 144211931 A I 2,2,4,4-Tetramethylcyclobutane-1,3-diol CC1(C)C(O)C(C)(C)C1O Tox21_301614 -NCGC00257631-01 196701866 tox21-ror-cho-viability-p1 set1 4 -2.10937596 -9.27106048 -8.13098082 2.74219673 -6.73761126 -3.79836665 -9.95739049 -8.22606032 -3.14129159 -5.45677579 -7.869453 -3.04540121 -6.58363324 -6.284482 -5.08948755 1.1509999999E-9 2.5739999999E-9 5.7559999999E-9 1.2869999999E-8 2.878E-8 6.435E-8 1.4389999999E-7 3.217E-7 7.194E-7 0.000001609 0.0000035969999999 0.000008044 0.00001799 0.00004022 0.00008993 107-45-9 61017 144207275 FNS 2,4,4-Trimethyl-2-pentanamine CC(C)(C)CC(C)(C)N Tox21_200077 -NCGC00258342-01 196701854 tox21-ror-cho-viability-p1 set1 -1.2 26.9454243393 -59.638275227 3.141693003 -56.496582224 4.9549173134 0.9490179914 0.0000093458 -0.52213241 1.79176786 2.62002777 4.43854728 1.11127026 1.67627288 7.27386679 0.85682282 1.57407807 3.8415793 0.42464867 3.45661356 3.98003855 -59.89227315 -48.5761756 1.167E-9 2.609E-9 5.835E-9 1.305E-8 2.917E-8 6.524E-8 1.459E-7 3.262E-7 7.294E-7 0.000001631 0.0000036469999999 0.0000081549999999 0.00001823 0.00004077 0.00009117 52417-22-8 2723598 144207986 A A 9-Aminoacridine, monohydrochloride, monohydrate Cl.O.Nc1c3ccccc3nc2ccccc12 Tox21_200788 -NCGC00258489-01 196701864 tox21-ror-cho-viability-p1 set1 4 -8.26210195 -16.15966244 -8.02816847 0.60633985 -14.94677686 -12.02243906 -10.00297526 -12.60231983 -0.19069352 -19.49996257 -12.12883838 -16.02510903 -18.11074325 -18.57241257 -15.07917588 1.14E-9 2.55E-9 5.7019999999E-9 1.2749999999E-8 2.851E-8 6.375E-8 1.426E-7 3.1879999999E-7 7.128E-7 0.000001594 0.000003564 0.000007969 0.00001782 0.00003985 0.000089099999999 97-61-0 7341 144208133 A A 2-Methylpentanoic acid CC(CCC)C(=O)O Tox21_200935 -NCGC00258079-01 196701865 tox21-ror-cho-viability-p1 set1 4 1.51577907 0.49981113 -2.07225968 12.05654002 2.41087513 10.53905959 11.16011335 13.58384506 13.89001389 3.89208338 13.74137332 -0.77007148 13.23865079 0.56986693 2.62146148 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.977E-8 6.656E-8 1.4879999999E-7 3.3279999999E-7 7.441E-7 0.0000016639999999 0.000003721 0.00000832 0.0000186 0.0000416 0.000093019999999 681-57-2 12681 144207723 A A 2,2-Dimethylpentanedioic acid CC(C)(CCC(O)=O)C(=O)O Tox21_200525 -NCGC00257941-01 196702258 tox21-ror-cho-viability-p1 set1 4 -6.03904879 -0.89058367 -0.39968436 -4.89784439 -9.66873932 -1.58506721 -6.30529637 -6.85025538 2.1718771 -1.91101367 -7.06677188 -6.07092068 -12.22070293 -9.53114533 -10.31440595 1.167E-9 2.6109999999E-9 5.837E-9 1.305E-8 2.919E-8 6.5259999999E-8 1.459E-7 3.2629999999E-7 7.297E-7 0.0000016319999999 0.000003648 0.0000081579999999 0.000018239999999 0.000040789999999 0.000091209999999 99-52-5 7441 144207585 A A 2-Methyl-4-nitroaniline Cc1cc(ccc1N)[N+]([O-])=O Tox21_200387 -NCGC00258078-01 196702263 tox21-ror-cho-viability-p1 set1 4 0.0015214871 9.3710281279 -8.3710281279 1 4.5044702849 0.6542231037 0.0642867243 -6.14252344 0.20195162 0.63436062 0.27861585 0.99912732 0.8234982 -0.22855216 -0.3149063 2.54475897 1.53120781 0.63364905 -0.53545058 -0.12182529 4.59398016 0.00231074 1.171E-9 2.617E-9 5.8529999999E-9 1.3089999999E-8 2.926E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.316E-7 0.0000016359999999 0.000003658 0.00000818 0.00001829 0.0000409 0.00009145 597-43-3 11701 144207722 A A 2,2-Dimethylbutanedioic acid CC(C)(CC(O)=O)C(=O)O Tox21_200524 -NCGC00258004-01 196702269 tox21-ror-cho-viability-p1 set1 4 8.75333182 -0.77298085 1.59394989 7.3891087 0.50035928 8.79929955 6.72127624 8.38743984 7.58863808 5.03629168 1.74404002 0.70656701 0.12472947 1.01888903 3.44357008 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.331E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 629-11-8 12374 144207648 A A 1,6-Hexanediol OCCCCCCO Tox21_200450 -NCGC00258395-01 196702275 tox21-ror-cho-viability-p1 set1 4 5.4929284 0.35175993 2.37497245 3.71090057 5.79180385 4.8744612 5.97409416 6.73622825 0.04281641 5.21820815 3.52898436 0.27838654 3.44211485 2.2840784 -0.66821847 1.1609999999E-9 2.5959999999E-9 5.805E-9 1.298E-8 2.903E-8 6.4899999999E-8 1.451E-7 3.245E-7 7.256E-7 0.000001623 0.000003628 0.0000081129999999 0.00001814 0.00004056 0.000090709999999 79-22-1 6586 144208039 D Methyl chlorocarbonate ClC(=O)OC Tox21_200841 -NCGC00066947-05 196702280 tox21-ror-cho-viability-p1 set1 4 -9.47489485 -8.0610112 -4.7352239 -9.21246712 -10.29662102 -7.16607259 -14.05665705 -15.88455927 -5.05480111 -8.1415465 -12.10434183 -9.48939491 -9.29707197 -6.11117008 -3.92401704 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00254946-01 196699375 tox21-ror-cho-viability-p1 set1 -2.1 54.4826732819 -86.8793040284 -5.448921394 -92.3282254224 1.8851180601 0.9859333609 6.1E-9 -7.93051762 -5.95176401 -6.89428669 -8.53509936 -4.39362628 -4.88448407 -3.40812446 -4.38494277 -6.22485376 -1.32214442 -6.81918557 -7.95623471 -18.52138663 -34.98552538 -69.94562532 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 28434-00-6 62829 144211361 A A S-Bioallethrin O=C2C[C@H](OC(=O)[C@@H]1[C@@H](/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_301044 -NCGC00015060-18 196698559 tox21-ror-cho-viability-p1 set1 4 26.6032120037 9.338190528 -0.838190528 8.5 4.0949729863 0.5580637302 0.1312737162 -6.53182544 -1.00358396 -1.56639952 1.21079051 -2.72813775 -0.66105198 -1.79318167 -0.29352415 -0.83379121 2.09418466 0.7852875 -0.13026916 0.47184332 1.28381234 7.60870568 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 446-86-6 2265 170464989 A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_110074_1 -NCGC00165740-05 196698563 tox21-ror-cho-viability-p1 set1 4 -0.08163767 3.0242258 0.36100163 0.18629611 0.23901384 -0.27624267 1.00154107 1.46041816 3.29833969 2.90195856 3.18911622 0.17524262 -1.92187265 -0.34420967 -5.81167042 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 86541-74-4 5362123 170465003 D Benazepril Cl.O=C(OCC)[C@H](CCc1ccccc1)N[C@H]3CCc2ccccc2N(CC(=O)O)C3=O Tox21_111441_1 -NCGC00257118-01 196727069 tox21-ror-cho-viability-p1 set3 -2.1 48.5577336745 -90.5422355425 0.434414513 -90.1078210295 1.21 0.9102214399 0.0001866571 12.39235409 6.95783416 6.28287843 2.01139297 0.27948166 2.79266047 -7.74497757 -3.27736613 -5.51194692 -8.49220824 -9.66951233 -7.39444887 -21.15904564 -34.74930812 -68.26350078 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 836-30-6 13271 144213650 A A 4-Nitro-N-phenylaniline [O-][N+](=O)c2ccc(Nc1ccccc1)cc2 Tox21_303333 -NCGC00023212-14 196726251 tox21-ror-cho-viability-p1 set3 4 -2.77822275 -2.54558922 5.2496587 -0.87285636 5.03181538 -2.65170545 9.08141856 2.51185966 2.60996018 4.52494832 0.12265145 4.28949312 1.42888426 0.43187048 1.01182034 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3056-17-5 18283 170464820 A Stavudine CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@@H](CO)O2 Tox21_110886_1 -NCGC00256969-01 196726663 tox21-ror-cho-viability-p1 set3 4 -3.57842937 1.44256189 -4.5062614 -5.6172076 -1.57670079 3.09200306 2.1803475 3.11481882 2.51343791 -5.97571603 -2.30862315 2.96463246 2.72343999 -0.11724759 2.51434532 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.00004119 0.000092099999999 957-51-7 13728 144213394 A A Diphenamid O=C(C(c1ccccc1)c2ccccc2)N(C)C Tox21_303077 -NCGC00256529-01 196726667 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -60.4045471344 -2.734581868 -63.1391290024 4.5044702849 0.9535536394 0.0000056143 -4.8356929 -3.42075613 -0.73811428 -3.47918871 -3.3617051 -4.76109041 -1.33493511 -0.26975258 0.20380689 0.87713183 1.83857344 -7.22384069 -7.30807336 -8.22782469 -50.50724524 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-14-6 5280793 144213069 F F Ergocalciferol C=C3CC[C@H](O)C\C3=C\C=C1/CCC[C@]2(C)[C@H](CC[C@@H]12)[C@H](C)/C=C/[C@H](C)C(C)C Tox21_302752 -NCGC00257022-01 196727079 tox21-ror-cho-viability-p1 set3 4 -0.09479063 -3.42170027 -0.4689531 -2.30880439 -0.98326911 -1.62294286 -0.12482517 -3.47910462 -17.98997346 -1.51496096 -18.39126573 -1.97764293 1.75102796 -1.34816191 -26.50894096 7.9629999999E-10 1.781E-9 3.982E-9 8.9029999999E-9 1.991E-8 4.452E-8 9.954E-8 2.226E-7 4.9769999999E-7 0.000001113 0.000002489 0.000005565 0.00001244 0.000027819999999 0.00006221 20830-75-5 2724385 144213367 A A Digoxin O=C1C=C(CO1)[C@H]2CC[C@@]8(O)[C@]2(C)[C@H](O)C[C@H]4[C@H]8CC[C@@H]3C[C@H](CC[C@@]34C)O[C@@H]7O[C@H](C)[C@@H](O[C@H]6C[C@H](O)[C@H](O[C@H]5C[C@H](O)[C@H](O)[C@@H](C)O5)[C@@H](C)O6)[C@@H](O)C7 Tox21_303050 -NCGC00256970-01 196727083 tox21-ror-cho-viability-p1 set3 4 -3.47068711 1.78894684 -3.5871647 2.21028539 -3.42479611 -3.23027665 -16.86963664 -7.08141922 0 -22.8443975 -2.18605533 -5.58038063 -2.10395395 -3.47220785 -9.57685251 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.000001648 0.000003684 0.000008238 0.00001842 0.00004119 0.000092099999999 1077-28-7 864 144213409 A A alpha-Lipoic acid O=C(O)CCCCC1CCSS1 Tox21_303092 -NCGC00256547-01 196727086 tox21-ror-cho-viability-p1 set3 4 4.45546346 2.07890097 -3.61971065 2.34682212 -0.91614471 2.79619025 -1.1938182 -0.26495748 0.2400201 -0.94401719 0.34762413 -7.06521482 -1.1969399 5.5857662 -3.98580523 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 544-63-8 11005 144213098 A A Tetradecanoic acid O=C(O)CCCCCCCCCCCCC Tox21_302781 -NCGC00256374-01 196727499 tox21-ror-cho-viability-p1 set3 4 -1.36194706 1.15593943 -5.40192202 -4.08974139 0 -3.95864178 -0.00709379 0 0 0 -14.09351265 0 -4.35532068 -3.07306698 -0.74302888 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 59-66-5 1986 144213090 A A Acetazolamide O=S(N)(=O)c1nnc(NC(C)=O)s1 Tox21_302773 -NCGC00257475-01 196727500 tox21-ror-cho-viability-p1 set3 4 2.5918174 0.84207373 1.80530202 2.39304192 0.11525416 -0.36653345 0.04469547 -0.48126248 -0.45184695 1.6880347 1.92521168 2.81623353 0.75103337 0.5185239 2.18951644 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6484-52-2 22985 144213829 Ac Ammonium nitrate [NH4+].[O-][N+]([O-])=O Tox21_303522 -NCGC00255751-01 196710103 tox21-ror-cho-viability-p1 set2 4 -7.00142956 -4.54251627 -3.29062538 -1.94995855 -1.88547739 -1.15748128 -6.86868121 -10.43075051 -5.16021873 -1.38688903 -4.50436161 -0.62453111 -6.12351487 -2.98148012 -0.51448811 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6012-97-1 22344 144211687 A Tetrachlorothiophene Clc1sc(Cl)c(Cl)c1Cl Tox21_301370 -NCGC00164164-02 196709689 tox21-ror-cho-viability-p1 set2 4 -5.57039059 -0.13277375 -2.83124519 -3.26426684 -3.01837678 2.79936645 2.11635565 -5.8460134 -3.8912851 -4.33326849 -5.95998975 1.38065664 -0.61089167 -4.9528573 -1.47306913 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00259851-01 196709691 tox21-ror-cho-viability-p1 set2 4 79.9006706132 -20.968571368 1.5 -19.468571368 4.9549173134 0.8950244758 0.000415077 -0.69503093 -0.90629468 -1.88024128 2.35862274 1.04087903 2.65875972 1.45008785 2.83344595 1.79818415 1.95011763 3.53075892 1.43438487 3.78728161 -0.73532992 -16.64047614 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.6859999999E-8 8.243E-8 1.8429999999E-7 4.121E-7 9.2159999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 0.00005152 0.0001152 27178-16-1 33733 144209500 A F Diisodecyl hexanedioate CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C Tox21_202302 -NCGC00254729-01 196720058 tox21-ror-cho-viability-p1 set3 4 4.78096453 10.82383857 -2.19954361 9.12707816 5.24803215 -0.24018261 6.42770174 -2.14322182 2.38904535 4.7873682 4.29195923 2.22850869 0.90559369 5.66039759 -1.3260361 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24934-91-6 32739 144211142 A Ac Chlormephos CCOP(=S)(OCC)SCCl Tox21_300825 -NCGC00254205-01 196719647 tox21-ror-cho-viability-p1 set3 4 4.30854139 1.89649587 5.251266 -1.99597318 5.00297671 5.28117555 19.42881033 5.84743081 -2.97104145 10.31745388 10.71891782 -5.15795914 -5.52195947 13.2919483 4.23545807 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1929-77-7 16003 144210493 A A Vernolate O=C(SCCC)N(CCC)CCC Tox21_300173 -NCGC00254343-01 196719651 tox21-ror-cho-viability-p1 set3 4 2.4336516212 13.994783316 -9.994783316 4 0.3 0.6748863181 0.0508355132 -4.50595472 -11.19877048 -11.66231943 -7.9486226 -7.66111717 -3.30272171 -6.03758437 -3.64652368 -4.62245735 -3.30023038 -4.37688775 0.26944982 -3.60676899 -0.30245212 2.48483097 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-35-1 5426 144210897 A A Thalidomide O=C1NC(=O)CCC1N3C(=O)c2ccccc2C3=O Tox21_300580 -NCGC00254194-01 196720053 tox21-ror-cho-viability-p1 set3 4 5.03282932 1.92185066 0.3315076 -4.40972686 11.01272975 0.47528493 5.75936816 -4.06003538 0.3862989 -1.16507953 16.06853162 15.68401986 -3.93683882 -8.34649864 4.56967659 1.754E-9 3.921E-9 8.768E-9 1.9609999999E-8 4.3839999999E-8 9.803E-8 2.192E-7 4.902E-7 0.000001096 0.000002451 0.00000548 0.00001225 0.0000274 0.00006127 0.000137 1075752-90-7 60196405 144210565 A A SSR 103800 Cl.FC(F)(F)c1ccc(Cl)c(c1Cl)C(=O)N[C@@H]([C@@H]3CN2CCC3CC2)c4ccccc4 Tox21_300245 -NCGC00255052-01 196720059 tox21-ror-cho-viability-p1 set3 4 11.66443294 -0.04106756 5.88638276 -1.90165061 3.96352558 -4.15897706 10.05373745 7.41599498 8.4350064 -5.40829928 6.98163954 -2.12073437 2.84485434 3.55390251 4.14594998 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 153719-23-4 107646 144211471 A A Thiamethoxam Clc2ncc(CN/1COCN(C)C\1=N\[N+]([O-])=O)s2 Tox21_301154 -NCGC00254435-01 196720060 tox21-ror-cho-viability-p1 set3 4 11.30334725 3.5364064 -0.57880399 3.44220668 4.24745381 -3.33994339 10.90508709 5.35673989 5.63688883 -3.18511995 -0.50276093 -2.47757865 2.41837483 2.0146362 2.06597073 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2550-40-5 17356 144210936 A Ac Dicyclohexyl disulfide S(SC1CCCCC1)C2CCCCC2 Tox21_300619 -NCGC00254053-01 196720064 tox21-ror-cho-viability-p1 set3 4 -1.38512432 -1.27816891 -4.52246127 -0.20475123 -0.79568821 -2.62108787 -1.50558275 -2.80137034 0.06906912 9.87039211 0.9941754 -1.11879172 0.26669757 -2.96512996 -0.67185174 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 648917-13-9 12148754 144210573 A A AVE2865 Fc1cc(c(Cl)cc1F)C(=O)NC(=O)Nc2cc(F)ccc2N3CCC(CC3)C(=O)O Tox21_300253 -NCGC00091387-08 196697530 tox21-ror-cho-viability-p1 set1 4 0.68168429 -1.03998558 -0.0619212 -2.08686344 0.68192412 1.61149255 -1.56301574 2.03281586 -2.73452571 -1.2043533 -0.63528961 -1.20210578 -4.48491553 -0.87887706 -0.3502334 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1239-45-8 14710 170466062 A Ethidium bromide [Br-].CC[n+]3c4cc(N)ccc4c1ccc(N)cc1c3c2ccccc2 Tox21_111410_1 -NCGC00179511-03 196697481 tox21-ror-cho-viability-p1 set1 4 0.2371013766 3.29862404 -3.79862404 -0.5 4.9549173134 0.3350001388 0.3387002716 -2.94406529 -4.83850509 0.1063574 -3.74511394 -7.3321867 -2.50532316 -4.50539492 -3.53206087 -0.0779638 -0.57333354 -3.06034512 0.74714269 0.02872866 -4.36998814 4.14835034 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 81110-73-8 60561 170466653 A Racecadotril CC(=O)SC[C@@H](Cc1ccccc1)C(=O)NCC(=O)OCc2ccccc2 Tox21_110700_1 -NCGC00181786-02 196697503 tox21-ror-cho-viability-p1 set1 4 -1.3346128 1.41904963 -4.85444707 -3.02410356 -0.44005489 -2.08021222 -3.84453896 -0.74396873 0.21424001 -7.3332666 0.24502561 -6.83018689 1.51052555 -1.5510226 -3.05570141 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 143388-64-1 60875 170465423 A Naratriptan hydrochloride Cl.CN1CCC(CC1)c2cnc3ccc(CCS(=O)(=O)NC)cc23 Tox21_113617_1 -NCGC00021569-09 196697514 tox21-ror-cho-viability-p1 set1 4 -1.02784837 3.0348288 3.94552187 0.57115409 4.51942521 4.32722992 -0.43300605 5.03422757 2.13542392 4.79860001 5.23780968 0.2528233 0.02357836 2.25618686 5.28106949 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 75847-73-3 5388962 170464969 Ac Enalapril maleate OC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N[C@@H](CCc1ccccc1)C(=O)OCC Tox21_110872_1 -NCGC00015906-04 196697548 tox21-ror-cho-viability-p1 set1 4 -0.63692718 1.14760931 1.3786102 0.6739574 -0.10343957 -4.84870423 -1.29122673 -0.27923097 0.25873879 -5.1404722 -4.0227605 0.01349821 -0.13051744 -0.32655526 -0.58164768 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5464-78-8 9899402 170466663 A 1-(2-Methoxyphenyl)piperazine hydrochloride Cl.COc1ccccc1N2CCNCC2 Tox21_111273_1 -NCGC00167538-02 196697554 tox21-ror-cho-viability-p1 set1 4 -1.36923767 0.84222159 0.86042527 -1.59010316 -2.3862769 0.72735202 0.33965809 0.46024592 0.350432 4.57685512 -0.93433196 -1.11064038 0.71964905 4.98459508 4.90245938 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6933-90-0 23360 170466032 A Clorprenaline hydrochloride Cl.OC(CNC(C)C)c1ccccc1Cl Tox21_112535_1 -NCGC00258581-01 196715725 tox21-ror-cho-viability-p1 set2 -1.1 6.8450141225 -96.0839055535 0.6661042249 -95.4178013286 1.92824246 0.9944384384 0 1.45473417 2.02336075 -0.68722587 0.54309325 0.91606705 0.40074485 -1.19428354 2.5379524 0.06425572 -8.09600966 -23.86344657 -49.53938822 -89.02545145 -89.6361665 -95.80100535 1.1779999999E-9 2.633E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.00000368 0.00000823 0.000018399999999 0.00004115 0.00009201 14866-33-2 2734117 144208226 A A Tetra-N-octylammonium bromide [Br-].CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC Tox21_201028 -NCGC00258112-01 196716141 tox21-ror-cho-viability-p1 set2 4 3.57513024 3.27857067 4.94063303 2.68616772 1.96133625 2.96460367 2.29144573 3.49709623 2.44720956 1.48640474 2.98846627 2.2991867 1.26998938 1.04314729 -4.42023967 1.1779999999E-9 2.633E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.00000368 0.00000823 0.000018399999999 0.00004115 0.00009201 14868-03-2 84677 144207756 A A Bis(4-hydroxyphenyl)-2,2-dichloroethylene Oc1ccc(cc1)\C(=C(/Cl)Cl)c2ccc(O)cc2 Tox21_200558 -NCGC00258299-01 196716542 tox21-ror-cho-viability-p1 set2 4 5.13035676 2.2160193 1.79857082 2.89682601 -0.2725746 4.82586716 1.33172118 -0.13773851 0.53294987 0.77595527 0.1280878 1.26961617 -0.85480632 1.37635199 1.03564291 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.9479999999E-8 6.591E-8 1.474E-7 3.296E-7 7.369E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 28553-12-0 590836 144207943 A Z Diisononyl phthalate CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C Tox21_200745 -NCGC00257910-01 196716551 tox21-ror-cho-viability-p1 set2 4 -4.90045586 2.51211002 -1.59942083 -3.16098247 -2.46977431 -2.78132661 -1.41317471 -2.27379048 -3.1640093 -3.11449164 0.85495862 -4.81179497 -2.54886354 -1.4439674 -0.57097784 1.182E-9 2.6429999999E-9 5.9109999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.304E-7 7.3889999999E-7 0.0000016519999999 0.0000036939999999 0.000008261 0.000018469999999 0.000041299999999 0.000092359999999 75-26-3 6358 144207554 FNS 2-Bromopropane BrC(C)C Tox21_200356 -NCGC00091632-02 196716553 tox21-ror-cho-viability-p1 set2 4 -1.52478249 -0.6866715 -0.5598682 0.62838887 -1.68752022 -0.60977896 -1.50780098 -1.28405054 -1.52801711 -1.28922181 0.1982598 0.38339861 -1.58114357 -0.25770712 -0.27408645 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00024842-05 196716950 tox21-ror-cho-viability-p1 set2 4 -0.6124571 -0.37955174 4.6404154 3.90955815 5.58834576 8.82946956 7.41179038 5.77987857 3.28506009 0.27120931 -0.38248338 1.30807992 1.12043897 0.11025517 1.76209627 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 533-45-9 10783 170466516 A Clomethiazole ClCCc1scnc1C Tox21_110931_1 -NCGC00090780-04 196716954 tox21-ror-cho-viability-p1 set2 4 -0.47727827 -3.03892122 -0.06406752 -3.06566426 0.14268481 1.06664146 -1.24517202 -0.38766239 1.11348272 -2.06642274 -0.71478522 -4.53345773 -3.62022563 -4.36223267 -3.6732168 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00016957-05 196716965 tox21-ror-cho-viability-p1 set2 4 1.07086956 0.44217453 2.70154461 3.10518262 2.56520001 4.80081739 3.75940871 -3.86463172 2.58056626 0.85619037 -0.33385835 -0.68396461 -0.1594617 -2.9052943 0.38542982 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 89796-99-6 71771 170465979 A Aceclofenac Clc2cccc(Cl)c2Nc1ccccc1CC(=O)OCC(=O)O Tox21_110710_1 -NCGC00015399-16 196716969 tox21-ror-cho-viability-p1 set2 4 -0.31184317 4.69870941 4.44770476 5.29511854 4.88127025 6.12637011 0.4740805 7.89751478 7.00527935 5.09514221 4.47087584 6.23685692 0.37964259 -0.15279014 4.92931852 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 41340-25-4 3308 170464915 A Etodolac O=C(O)CC3(CC)OCCc2c3nc1c(cccc12)CC Tox21_110644_1 -NCGC00167430-04 196713649 tox21-ror-cho-viability-p1 set2 -2.4 33.4914596268 -30.5106399319 2 -28.5106399319 4.9549173134 0.8990145535 0.0003399151 5.01951721 0.84867432 3.41567603 1.55475364 -2.49535028 4.63869184 1.15639632 -1.2635268 0.45497624 3.66903316 0.42884389 4.86822888 2.2727419 0.57739648 -23.75886661 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 65899-73-2 5482 170465343 A Tioconazole Clc3sccc3COC(Cn1ccnc1)c2ccc(Cl)cc2Cl Tox21_112434_1 -NCGC00164520-02 196712829 tox21-ror-cho-viability-p1 set2 4 -0.01317641 -0.84341666 0.67428568 0.12795737 0.66918103 -2.87928342 -4.43516603 -4.4339599 -1.43356433 -0.5960639 -1.39628481 -0.89513041 0.49943109 1.07738007 4.87104097 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 72-19-5 6288 170465476 Z L-Threonine O=C(O)[C@@H](N)[C@@H](C)O Tox21_112154_1 -NCGC00177971-03 196713236 tox21-ror-cho-viability-p1 set2 4 29.8492948118 -20.7950174 2 -18.7950174 4.0949729863 0.8673736237 0.0012857368 2.97810381 4.21475618 4.11597456 -2.05493152 -1.83022412 0.88710276 1.8354962 2.30360561 2.60022526 2.48013363 2.01533032 2.98082022 1.46454495 -1.9771207 -15.6625145 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66575-29-9 47936 170466094 A Forskolin CC(=O)O[C@H]2[C@@H](O)[C@@H]1[C@](C)([C@@H](O)CCC1(C)C)[C@@]3(O)C(=O)C[C@](C)(C=C)O[C@]23C Tox21_110940_1 -NCGC00249887-01 196713243 tox21-ror-cho-viability-p1 set2 4 0.23358094 1.51448282 2.04290267 1.5174383 2.14457477 1.37449565 0.97247287 0.0225372 0.20828718 0.09820818 -1.05432187 -0.34787663 0.49682673 2.73082116 3.30920436 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 74517-78-5 52195 170465192 A A Indecainide NC(=O)C3(CCCNC(C)C)c1ccccc1c2ccccc23 Tox21_113663 -NCGC00357011-01 196703114 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -23.72016522 3 -20.72016522 4.5044702849 0.7639605825 0.0156613761 2.64358206 3.09280915 7.70867308 -0.28873376 0.39060271 0.97251263 7.5470285 5.60125382 7.17272583 0.90238059 4.47425648 0.2876576 1.03144438 0.74441766 -16.01680435 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17418-58-5 28531 251919681 Ac C.I. Disperse Red 60 O=C2c1ccccc1C(=O)c3c2c(N)c(cc3O)Oc4ccccc4 Tox21_303924 -NCGC00357254-01 196703093 tox21-ror-cho-viability-p1 set1 4 -0.25837461 -0.79751329 -0.96485146 -2.62077645 -2.8076895 -0.36191612 -3.17927849 -0.53494028 -1.3748487 -5.69631339 -1.02900145 -4.93556181 0.28545812 -5.21109478 0.22752055 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3852-09-3 19710 251919899 A Methyl 3-methoxypropionate O=C(OC)CCOC Tox21_304047 -NCGC00260566-01 196703092 tox21-ror-cho-viability-p1 set1 4 -3.75142168 -0.19381717 -1.04434101 -2.75051055 0.89237861 -2.68847109 -4.30748733 -1.61011059 -0.20266545 -3.64012806 -1.78252719 1.91795836 1.55477934 1.52001662 -4.19700036 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49462 144210219 M M NTP Mix74 CT1 62-EQP Tox21_203021 -NCGC00260571-01 196703105 tox21-ror-cho-viability-p1 set1 4 10.5909294584 16.127964704 -5.127964704 11 1.752947691 0.7129114268 0.0409492547 -7.11822094 -0.59055301 -4.82339493 -1.59613545 -3.33769301 -5.98497717 -7.62487505 -8.02330392 -5.7893285 -6.51293811 -3.59611662 -0.07023565 -0.56018644 8.96335412 -0.51180526 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49467 144210224 M M NTP Mix79 CT1 62-EQP Tox21_203026 -NCGC00260244-01 196703515 tox21-ror-cho-viability-p1 set1 4 -0.2139631 6.28926631 1.71163067 -3.08443029 -2.12904813 0.99711164 0.38692582 1.59627192 0.14481073 -0.35027189 0.10311303 -3.12052274 5.47884499 -0.39099262 5.3273433 1.172E-9 2.6199999999E-9 5.859E-9 1.31E-8 2.929E-8 6.55E-8 1.465E-7 3.275E-7 7.324E-7 0.0000016379999999 0.000003662 0.000008188 0.00001831 0.00004094 0.00009154 3878-80-6 13638937 144209894 FNS 1-Ethylpyridinium trifluoromethanesulfonate CC[n+]1ccccc1.FC(F)(F)S([O-])(=O)=O Tox21_202696 -NCGC00356987-01 196703520 tox21-ror-cho-viability-p1 set1 4 0.2536389 -0.7361291 -0.44906835 4.25433574 -0.82002701 -0.97931559 -3.18867008 -0.82421707 2.81204107 -3.0230299 -0.57717269 3.62846335 0.36508701 -4.13331322 -3.88518776 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5742-17-6 57358267 251919714 A 2,4-D, isopropylamine salt Clc1cc(Cl)ccc1OCC(=O)O.CC(C)N Tox21_303714 -NCGC00244579-01 196703523 tox21-ror-cho-viability-p1 set1 -2.4 48.5577336745 -34.328475572 1.5 -32.828475572 3.0654483358 0.9547452056 0.0000048801 0.39281054 -0.49838033 5.49174275 3.96894499 -0.64549613 1.97079081 2.15781746 0.66609621 2.44611607 -0.95344444 1.69748885 1.31387249 1.76952382 -12.10703876 -28.19039631 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00260373-01 196703528 tox21-ror-cho-viability-p1 set1 4 8.6964271415 -13.678599656 -1.5 -15.178599656 1.21 0.5051092207 0.1908449696 -1.08360724 -1.21343814 -4.12820361 -0.85183077 -7.27738183 -0.03764155 6.25437584 -7.14853196 5.22849176 -5.05768924 -5.89053002 -9.57799778 -7.93227231 -14.73216638 -3.5163628 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.484E-7 3.317E-7 7.4179999999E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.000041469999999 0.000092719999999 36727-29-4 161929 144210025 F F Hexanoylchloride,3,5,5-trimethyl- CC(CC(C)(C)C)CC(Cl)=O Tox21_202827 -NCGC00255588-01 196701054 tox21-ror-cho-viability-p1 set1 4 6.2563038766 6.9066650039 -2.4066650039 4.5 1.6435888099 0.3876457909 0.2860345661 0.38866981 1.38954394 -5.14108647 -5.48824675 -0.79709079 0.68876299 -5.16034792 1.06888334 -8.25555417 -1.32078955 -0.49027955 -0.43089181 0.67047825 4.47113941 3.88030423 5.073E-10 1.134E-9 2.536E-9 5.6719999999E-9 1.268E-8 2.8359999999E-8 6.341E-8 1.418E-7 3.171E-7 7.0889999999E-7 0.0000015849999999 0.000003545 0.000007926 0.00001772 0.00003963 210631-68-8 11302979 144212758 A A Topramezone Oc1n(C)ncc1C(=O)c3ccc(c(C=2CCON=2)c3C)S(C)(=O)=O Tox21_302441 -NCGC00255381-01 196700229 tox21-ror-cho-viability-p1 set1 4 48.5577336745 8.1599948479 -1.6599948479 6.5 3.9899729863 0.3764823457 0.2973560281 0.37598262 -5.38110158 -4.10694781 -1.12136286 -6.35516095 0.14425691 1.33276525 0.20747874 0.63273355 -1.11423116 -0.38866095 0.149325 -6.38332904 1.61956177 5.7888763 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 147-94-4 6253 144212288 A A Cytarabine NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O Tox21_301971 -NCGC00256151-01 196701042 tox21-ror-cho-viability-p1 set1 4 2.94067224 6.72523558 4.85117201 3.96537841 -2.18385673 3.3391034 1.22907223 4.28870952 3.80524406 -3.09665326 1.96920147 6.03358603 5.25249461 5.05064409 3.28379577 1.177E-9 2.631E-9 5.884E-9 1.316E-8 2.942E-8 6.578E-8 1.471E-7 3.289E-7 7.355E-7 0.000001645 0.0000036769999999 0.000008223 0.00001839 0.00004111 0.000091939999999 3685-84-5 19379 144212715 A D Meclofenoxate hydrochloride Cl.Clc1ccc(OCC(=O)OCCN(C)C)cc1 Tox21_302398 -NCGC00256065-01 196701051 tox21-ror-cho-viability-p1 set1 4 -2.04022289 5.25429992 -0.43905965 0.81343778 -0.98752165 -0.35358263 -0.68466105 -0.71616263 -1.9547821 0.46576347 -2.79568591 -0.34701333 -5.17336889 0.96492692 -0.11277099 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 34443-12-4 61931 144211602 F F tert-Butylperoxy 2-ethylhexyl carbonate CC(C)(C)OOC(=O)OCC(CCCC)CC Tox21_301285 -NCGC00255736-01 196729168 tox21-ror-cho-viability-p1 set3 -1.2 19.3311819617 -38.401092017 -0.513120391 -38.914212408 2.0478617061 0.9498399586 0.0000085637 -2.17907804 1.74047706 -2.41461526 -1.11457395 -0.61122526 2.17753604 2.70269357 -2.37206961 0.16454531 -0.0416823 -2.54094342 -10.64146875 -13.99388595 -37.42851034 -34.43228959 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23847-08-7 90282 144212306 A A 1,1'-Disulfanediyldiazepan-2-one O=C2CCCCCN2SSN1CCCCCC1=O Tox21_301989 -NCGC00255530-01 196728747 tox21-ror-cho-viability-p1 set3 -2.4 21.6899429044 -33.852889216 4 -29.852889216 0.7999999999 0.9342892371 0.0000368771 4.51914246 3.09541733 9.74203139 3.35583952 -1.30172085 3.48395389 3.31790824 1.24528233 2.18209356 -0.75088052 -1.29902376 -8.01437022 -10.64485243 -16.74464748 -22.37740768 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 633-96-5 44135675 144212405 A C.I. Acid Orange 7 [Na+].O=S([O-])(=O)c3ccc(/N=N/c1c2ccccc2ccc1O)cc3 Tox21_302088 -NCGC00255893-01 196728755 tox21-ror-cho-viability-p1 set3 4 -1.35681754 1.72666194 2.33027191 -1.86586791 5.44460139 4.2165215 0.94317318 5.98004805 10.10197198 4.31850706 -0.19549075 6.20187436 -0.5227933 -0.6846582 -3.76005701 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3060-89-7 18290 144212281 A A Metobromuron Brc1ccc(NC(=O)N(C)OC)cc1 Tox21_301964 -NCGC00256024-01 196729158 tox21-ror-cho-viability-p1 set3 4 15.3553036427 -13.0014908599 4 -9.0014908599 3.1319983358 0.5739686664 0.1318568924 -3.84288531 1.35918852 9.35119019 8.10148443 0.29652605 4.61748255 4.1379904 4.54954696 7.20292791 5.71518944 3.31353707 3.79905794 -5.25559629 -7.91790905 -1.43581349 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-45-6 8432 144212663 A A 1-Phenylethyl propionate CCC(=O)OC(C)c1ccccc1 Tox21_302346 -NCGC00258740-01 196729566 tox21-ror-cho-viability-p1 set3 4 1.0054227176 -5.6157197359 1.5 -4.1157197359 2.2526478767 0.359668806 0.3280385426 2.75817997 5.92249948 3.44134853 -1.489087 -3.15281035 3.26598263 0.97574765 -0.53311186 1.34735244 -2.75557401 -9.26309978 -3.13945883 -6.98839569 2.9587543 1.83445986 1.2169999999E-9 2.7209999999E-9 6.084E-9 1.36E-8 3.042E-8 6.802E-8 1.521E-7 3.401E-7 7.604E-7 0.0000016999999999 0.0000038019999999 0.000008502 0.00001901 0.00004251 0.00009506 6863-58-7 23294 144208386 FNS Bis(2-butyl) ether CC(CC)OC(C)CC Tox21_201188 -NCGC00260591-01 196711333 tox21-ror-cho-viability-p1 set2 4 -3.332092 -3.06752855 -5.67659084 -3.05857916 -2.47493404 -17.68774925 -10.50041458 0 -5.98490549 -14.56752596 -11.44584907 -18.57151982 0 -6.96011617 -17.06056339 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49487 144210244 M M NTP Mix47 CT1 3-EQP Tox21_203046 -NCGC00255911-01 196710929 tox21-ror-cho-viability-p1 set2 4 0.69856113 7.83013749 1.77555306 1.56242956 0.30914556 4.09091602 0.10686588 1.40064985 0.02284098 1.16480311 1.14863628 -0.05051005 0.46693237 1.32999982 2.57594583 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 451-40-1 9948 144212476 A A 1,2-Diphenylethanone O=C(Cc1ccccc1)c2ccccc2 Tox21_302159 -NCGC00256291-01 196710939 tox21-ror-cho-viability-p1 set2 4 0.49410569 4.25777485 4.72926315 -0.46085995 0.52900245 0.48971556 -1.09104063 -0.34624194 3.64454434 0.56319373 2.83672404 2.33620705 2.67421906 -0.14250992 -0.13169278 8.258E-10 1.8469999999E-9 4.1289999999E-9 9.2329999999E-9 2.065E-8 4.616E-8 1.032E-7 2.308E-7 5.161E-7 0.0000011539999999 0.000002581 0.0000057699999999 0.0000129 0.00002885 0.00006452 28631-66-5 60196416 144211592 F C.I. Acid Blue 22 [Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)Nc2ccc(cc2)\C(=C4/C=C/C(=N\c3ccc(cc3S(=O)(=O)O)S([O-])(=O)=O)C=C4)c5ccc(N)c(C)c5 Tox21_301275 -NCGC00255749-01 196710940 tox21-ror-cho-viability-p1 set2 4 0.2500843 -4.64623951 -2.47302817 -1.33391983 -0.18468354 -0.27153887 -4.77843037 -2.6560173 -1.1699222 1.70788327 0.09113077 0.35137942 -0.10762668 -2.9046448 -1.33660612 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 657-84-1 3720192 144211697 A Sodium 4-methylbenzenesulfonate [Na+].Cc1ccc(cc1)S(=O)([O-])=O Tox21_301380 -NCGC00260128-01 196711334 tox21-ror-cho-viability-p1 set2 4 59.6189789059 27.741226918 -14.069317232 13.671909686 4.9549173134 0.3912630098 0.279658722 -18.32622231 -15.15082778 -16.58361933 -18.1828604 -4.41076339 -11.09655304 -22.86959075 -4.09651192 -7.75839688 -4.94909554 -9.41281539 -14.52297894 -36.22973571 -9.05677589 11.58299553 1.272E-9 2.844E-9 6.359E-9 1.422E-8 3.18E-8 7.11E-8 1.59E-7 3.555E-7 7.949E-7 0.0000017769999999 0.000003975 0.000008887 0.00001987 0.000044439999999 0.00009936 109-53-5 7992 144209777 Fns Vinyl isobutyl ether CC(C)COC=C Tox21_202579 -NCGC00260552-01 196711339 tox21-ror-cho-viability-p1 set2 4 -3.62065212 -12.82773489 -14.5624313 -11.80025359 -8.82080417 0 0 -8.60379645 0 0 -2.45052468 -7.34793992 -3.4708484 -15.49437602 -0.32454028 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49448 144210205 M M NTP Mix60 CT1 62-EQP Tox21_203007 -NCGC00356988-01 196711342 tox21-ror-cho-viability-p1 set2 4 -3.23142865 -4.20394458 -5.11825858 -1.79982394 -2.35769893 -6.20037772 -5.49831029 -9.06708936 -28.03747818 -20.67467091 -2.60883844 0 0 -4.93369969 1.12374487 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 832-69-9 13257 251919688 A 1-Methyl phenanthrene Cc3cccc2c3ccc1ccccc12 Tox21_303752 -NCGC00260510-01 196711349 tox21-ror-cho-viability-p1 set2 4 1.3379312523 17.681147412 1.318852588 19 0.9999999999 0.8203246229 0.0050884118 -0.05025023 1.97826956 -1.15179414 2.13417466 3.9229659 2.36136028 2.18705903 4.49882284 4.00216114 -2.23428951 4.07889028 6.79370282 8.63916964 10.71324157 16.1900394 5.916E-11 1.3229999999E-10 2.9579999999E-10 6.6149999999E-10 1.479E-9 3.307E-9 7.3949999999E-9 1.6539999999E-8 3.698E-8 8.268E-8 1.849E-7 4.134E-7 9.244E-7 0.000002067 0.000004622 131-09-9 8553 144210162 A 2-Chloroanthraquinone Clc2ccc3C(=O)c1ccccc1C(=O)c3c2 Tox21_202964 -NCGC00263893-02 196697326 tox21-ror-cho-viability-p1 set1 4 2.1131682429 6.3252010039 -3.3252010039 3 4.9549173134 0.5146871191 0.1666433508 -2.80172379 -3.91826277 -8.60433417 -1.91209107 -3.41160639 -4.46013306 -0.9302737 -0.36612285 -0.63379861 -6.53095458 -2.14803707 6.1789688 2.95910986 -2.2781482 5.53583443 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 585-86-4 157355 170465917 Z Lactitol OC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO Tox21_112397_1 -NCGC00161831-04 196697305 tox21-ror-cho-viability-p1 set1 -3 33.4914596268 -94.1093379275 1.6066784639 -92.5026594636 4.9549173134 0.9722806082 3.095E-7 -0.21627548 6.72374698 2.79148898 -4.12300488 5.57651675 -1.15420526 4.2199449 0.46911675 0.32751185 1.04687355 -1.16749614 1.70681314 -0.0316832 0.83905253 -81.14268374 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51773-92-3 65329 170465100 A Mefloquine hydrochloride Cl.O[C@@H](c2cc(nc1c2cccc1C(F)(F)F)C(F)(F)F)[C@H]3CCCCN3 Tox21_111999_1 -NCGC00015513-11 196697312 tox21-ror-cho-viability-p1 set1 4 1.94543415 2.74108598 2.90868984 3.39501031 1.39618895 -0.55323845 0.90229685 4.01161745 0.0105264 2.1493182 0.61600384 3.62414187 1.20500661 1.47130845 1.3769735 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-45-6 774 170465001 Z Histamine dihydrochloride NCCc1cncn1 Tox21_110166_1 -NCGC00016892-04 196697328 tox21-ror-cho-viability-p1 set1 4 3.0713316 3.96494351 0.68744046 0.07184121 -1.36269728 4.07371678 1.10605847 0.11810834 1.77188135 0.71650973 -0.56353466 5.78548315 0.41073925 0.06550024 3.2010687 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60166-93-0 65492 170464646 A Iopamidol O=C(Nc1c(I)c(c(I)c(c1I)C(=O)NC(CO)CO)C(=O)NC(CO)CO)[C@H](C)O Tox21_110668_1 -NCGC00253731-01 196697330 tox21-ror-cho-viability-p1 set1 4 -3.91863824 -3.57948923 -5.34441765 -1.4764649 -4.34700386 -1.44926574 -0.16163748 -2.85512484 0.2354731 -0.14038597 0.4784367 0.62633834 -0.74124593 -0.32909725 0.65520162 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 30319-05-2 96350 170466758 F Fns 3-Bromo-2-methylthiophene Cc1sccc1Br Tox21_113850 -NCGC00319018-01 196697360 tox21-ror-cho-viability-p1 set1 4 0.48382476 3.14129064 0.03233455 3.84749415 0.17567022 1.84030487 0.55479461 2.99394035 -0.29161938 1.21131222 2.01689874 6.57752515 5.44684125 2.40900097 0.43781276 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 105613-48-7 9552071 170465570 Z F Exametazime C/C(=N\O)[C@@H](C)NCC(C)(C)CN[C@H](C)C(\C)=N\O Tox21_113984 -NCGC00256759-01 196727558 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -12.79005124 2 -10.79005124 4.9549173134 0.515782842 0.1665205316 -0.26663344 1.96397642 0.56653017 2.84768995 4.67247604 -0.32235517 4.71895839 0.05890649 5.19070212 6.61202333 0.16990475 -0.3292637 -0.13878169 1.47113732 -7.3250427 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24817-51-4 520148 144212815 A A 2-Phenylethyl 2-methylbutanoate CC(CC)C(=O)OCCc1ccccc1 Tox21_302498 -NCGC00091532-04 196726748 tox21-ror-cho-viability-p1 set3 -2.1 61.8773215692 -84.8780320198 -5.438503001 -90.3165350208 1.331 0.804398144 0.0072248886 -5.08163039 0.96341257 -11.8138919 -4.55229758 -13.99206367 -3.14202911 -11.27313075 0 0 0 0 -25.51529585 -26.6949594 -22.59361303 -68.42161744 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00091663-03 196727144 tox21-ror-cho-viability-p1 set3 4 1.32092369 0.30070909 -6.62015271 -0.28623609 0.67440849 1.49730858 1.86214136 0.74301903 1.06443442 0.00095502 -0.03336468 -0.9373277 -0.63799552 0.39658395 1.40059962 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00257035-01 196727154 tox21-ror-cho-viability-p1 set3 4 4.18620207 1.99206768 0.11594795 3.69109091 -0.96172459 2.44634655 5.13945208 3.39984477 5.07795342 5.06129142 2.17240404 1.33993708 0.4903003 2.00603891 3.09238652 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-60-7 8200 144213562 Cc Fns Tetraethylene glycol OCCOCCOCCOCCO Tox21_303245 -NCGC00256703-01 196727564 tox21-ror-cho-viability-p1 set3 4 0.685896219 -4.556638476 1.5 -3.056638476 4.9549173134 0.3188961066 0.3669520707 -0.94412533 1.14392426 2.18251924 0.82506453 1.55560155 1.18667669 -0.75739555 6.13674429 -0.88497583 -11.29719873 0 -1.01262516 -2.22463086 -0.37150254 0.5440895 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99300-78-4 62923 144212825 A A Venlafaxine hydrochloride Cl.OC1(CCCCC1)C(CN(C)C)c2ccc(OC)cc2 Tox21_302508 -NCGC00255123-01 196727569 tox21-ror-cho-viability-p1 set3 -2.4 54.4826732819 -30.407169256 0 -30.407169256 3.1924983358 0.8657179043 0.0013525853 -4.81144218 -3.51925459 -0.65994017 -2.30183499 1.34074569 -3.63959852 0.02349369 -0.15322755 2.35724938 4.34306959 4.23965634 0.77077004 -1.45716175 -8.55172544 -25.75597438 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84-16-2 192197 144211773 A A meso-Hexestrol Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c2ccc(O)cc2 Tox21_301456 -NCGC00256555-01 196727575 tox21-ror-cho-viability-p1 set3 4 1.24429457 3.18146101 0.21125403 1.25477797 -0.62766147 -0.25365565 -1.40052163 0.97543809 -0.95753768 1.57413514 -1.10642324 0.3757228 2.83126272 3.36655881 0.27828194 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7705-08-0 166033 144213235 Ferric chloride [Fe+3].[Cl-].[Cl-].[Cl-] Tox21_302918 -NCGC00254560-01 196714104 tox21-ror-cho-viability-p1 set2 4 -5.05647572 0.03398179 1.39585365 0.56842492 -0.35058857 0.2334462 1.22832841 2.0152819 0.09251639 -0.0031409 -0.17038278 1.09909367 0.082332 4.11719379 -1.81522351 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2683-43-4 75893 144210969 A Ac 2,4-Dichloro-6-nitroaniline Nc1c(cc(Cl)cc1Cl)[N+]([O-])=O Tox21_300652 -NCGC00021666-04 196716978 tox21-ror-cho-viability-p1 set2 4 -4.60637527 -1.77730735 -2.26490383 0.49536632 -4.74305131 0.34532327 1.35528072 -2.65790293 -2.88954325 -5.44417616 -4.80329213 0.2333154 -0.15369589 -1.69405983 -4.99041785 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55096-26-9 5284594 170465281 A Nalmefene C=C1CC[C@@]6(O)[C@H]3Cc5ccc(O)c4O[C@@H]1[C@]6(CCN3CC2CC2)c45 Tox21_110873_1 -NCGC00015862-07 196716983 tox21-ror-cho-viability-p1 set2 4 2.92486362 0.77757736 2.335289 4.39972093 2.59296774 4.45854385 4.01383513 3.56463313 3.25148638 3.95869113 4.17092545 2.78942757 2.88435424 1.04058208 2.21727095 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 101-26-8 7550 170464878 F Pyridostigmine bromide [Br-].O=C(Oc1ccc[n+](C)c1)N(C)C Tox21_111266_1 -NCGC00254191-01 196714519 tox21-ror-cho-viability-p1 set2 4 0.3092545 0.54387102 -0.29974487 0.59857803 0.46131697 -0.36080776 -0.24038568 0.48275756 1.41935259 2.15030843 0.2850451 4.93381541 6.97024315 3.02395489 2.63684139 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47248 9865514 144210523 A A CI-1018 Cc2cc3C(=N[C@@H](NC(=O)c1ccncc1)C(=O)N4CCc(c2)c34)c5ccccc5 Tox21_300203 -NCGC00254972-01 196714511 tox21-ror-cho-viability-p1 set2 4 2.81554911 2.37123321 -1.09039756 1.91048987 -1.4063417 3.09654234 2.93039641 1.31780158 0.49826453 -1.38765781 -1.50183386 7.35400046 6.89206692 1.83329999 0.85240634 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 6190-65-4 22563 144211388 A A Deethylatrazine Nc1nc(NC(C)C)nc(Cl)n1 Tox21_301071 -NCGC00253917-01 196714514 tox21-ror-cho-viability-p1 set2 4 0.7695882154 5.911316808 -5.411316808 0.5 4.9549173134 0.6460751468 0.0673685702 -4.13905781 -3.3550343 -5.12423346 -2.37674063 -6.99844773 -5.33003755 -5.98648262 -9.92609734 -3.13514136 2.47641523 1.34420338 -1.32054381 -3.10205281 1.27375517 1.62858134 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 62-23-7 6108 144210451 A A 4-Nitrobenzoic acid O=[N+]([O-])c1ccc(cc1)C(=O)O Tox21_300131 -NCGC00254086-01 196714523 tox21-ror-cho-viability-p1 set2 4 2.91759036 -0.58106295 0.34664856 -0.89263114 -0.07497717 0.70034745 1.5122208 1.7740866 1.82046381 0.99667272 -0.3679457 2.65321911 4.72388301 4.33916621 5.59311065 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1300-72-7 23668192 144210392 Ac Ac Sodium xylenesulfonate [Na+].Cc1ccc(cc1C)S(=O)([O-])=O Tox21_300072 -NCGC00254984-01 196714524 tox21-ror-cho-viability-p1 set2 4 0.24208227 -0.6313977 1.01193913 0.87679996 -0.62057693 1.36575944 2.58929571 2.58417889 1.03049844 1.68097885 0.08306291 3.18120703 6.65298277 3.50487358 4.6978291 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24157-81-1 32241 144211400 A Fc 2,6-Diisopropylnaphthalene CC(C)c1ccc2cc(ccc2c1)C(C)C Tox21_301083 -NCGC00090952-07 196714932 tox21-ror-cho-viability-p1 set2 4 1.73481693 -4.37126178 -4.97442925 -6.0194984 -2.73867302 -4.75881789 -2.22056458 -3.88532698 0.122192 -7.07164561 -1.19458895 -0.55730445 0.92528836 2.39759815 2.25115144 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00258390-01 196715347 tox21-ror-cho-viability-p1 set2 4 0.93328188 1.82357168 1.08031118 1.05147175 1.93832542 -2.58801946 1.58513683 0.8142704 3.50677825 -0.03184069 0.9357496 4.90172281 1.27587587 0.1932564 0 1.1689999999E-9 2.614E-9 5.845E-9 1.3069999999E-8 2.922E-8 6.535E-8 1.461E-7 3.267E-7 7.306E-7 0.0000016339999999 0.000003653 0.000008169 0.00001827 0.00004084 0.00009133 5397-31-9 21499 144208034 A Ac 3-((2-Ethylhexyl)oxy)propylamine CCCCC(COCCCN)CC Tox21_200836 -NCGC00258205-01 196715352 tox21-ror-cho-viability-p1 set2 4 -4.07385654 1.39041193 0.34153647 -0.7586574 1.04208486 0.70556812 0.98468841 -5.30646913 2.46213319 -4.8843986 -2.53776635 3.21841154 -4.69959626 -5.51466424 -2.35474181 1.1469999999E-9 2.564E-9 5.733E-9 1.282E-8 2.867E-8 6.41E-8 1.433E-7 3.205E-7 7.1659999999E-7 0.000001602 0.000003583 0.000008012 0.00001792 0.00004006 0.000089579999999 101-14-4 7543 144207849 A A 4,4'-Methylenebis(2-chloroaniline) Nc2ccc(Cc1ccc(N)c(Cl)c1)cc2Cl Tox21_200651 -NCGC00258149-01 196715753 tox21-ror-cho-viability-p1 set2 -2.2 54.7043727751 -52.2293197839 -0.8547227 -53.0840424839 1.4787409999 0.9414332239 0.0000198787 0.56979529 3.3320433 -2.15276123 -0.45144821 2.41862734 0.76328893 -1.14001363 -0.13065298 -0.25654902 -4.7081921 -5.08646137 -7.06685677 -9.89550853 -17.49966074 -40.2151837 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.397E-7 0.0000016539999999 0.0000036989999999 0.0000082699999999 0.000018489999999 0.00004135 0.00009247 114569-84-5 2734227 144207793 D 1-Dodecyl-3-methylimidazolium chloride [Cl-].C[n+]1ccn(CCCCCCCCCCCC)c1 Tox21_200595 -NCGC00258378-01 196715763 tox21-ror-cho-viability-p1 set2 4 1.55865796 3.09870103 1.98840542 2.95352891 4.61542704 4.6419707 3.29058904 1.87388574 3.12909432 2.02820496 1.88682161 5.43595773 0.45416701 0.79174973 -0.42723207 1.226E-9 2.741E-9 6.13E-9 1.371E-8 3.065E-8 6.8529999999E-8 1.532E-7 3.4269999999E-7 7.662E-7 0.000001713 0.0000038309999999 0.000008566 0.000019149999999 0.000042829999999 0.000095769999999 107-05-1 7850 144208022 AC Ac Allyl chloride C=CCCl Tox21_200824 -NCGC00257994-01 196715765 tox21-ror-cho-viability-p1 set2 4 0.67151481 -1.07762148 -5.40369719 -1.57933461 -1.23353076 0.87167137 -1.34072387 -2.93889405 -5.57490423 -2.98125988 -8.79768 -1.0359773 -3.6298085 -1.87109193 1.05476686 1.21E-9 2.7049999999E-9 6.048E-9 1.352E-8 3.024E-8 6.7619999999E-8 1.512E-7 3.381E-7 7.561E-7 0.000001691 0.00000378 0.0000084529999999 0.0000189 0.00004226 0.00009451 121-45-9 8472 144207638 FNS Trimethyl phosphite COP(OC)OC Tox21_200440 -NCGC00018296-07 196713809 tox21-ror-cho-viability-p1 set2 4 -5.36646429 -3.98678956 -0.5442228 -1.86435773 -2.55270064 -1.77643485 -1.22584901 -0.24757447 -1.22289991 -2.01834991 -1.8634399 -0.65142271 -0.79377016 -2.81779807 -4.13197602 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1104-22-9 64713 170464899 A Meclizine hydrochloride Cl.Cl.Cc1cccc(c1)CN2CCN(CC2)C(c3ccc(Cl)cc3)c4ccccc4 Tox21_110497_1 -NCGC00254606-01 196714220 tox21-ror-cho-viability-p1 set2 4 -4.04072879 -3.36462242 -2.87095121 -0.16414895 -4.39367579 -5.34542149 -6.36152708 -2.82951105 -0.34793088 -1.41527013 1.17096388 -0.47961344 0.34052156 -2.7780228 -1.07290133 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 129630-19-9 182951 144211015 A A Pyraflufen-ethyl Cn2nc(c1cc(OCC(=O)OCC)c(Cl)cc1F)c(Cl)c2OC(F)F Tox21_300698 -NCGC00016831-06 196713407 tox21-ror-cho-viability-p1 set2 4 -1.19148978 0.86134926 0.56226394 -0.37641477 -1.09872234 1.51185124 0.10376737 2.67609263 -0.50641329 2.76198823 1.44763945 -1.02101502 2.74843005 3.42975593 0.04677712 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35543-24-9 6420013 170466459 A Buflomedil hydrochloride Cl.COc2cc(OC)cc(OC)c2C(=O)CCCN1CCCC1 Tox21_110636_1 -NCGC00018194-08 196713410 tox21-ror-cho-viability-p1 set2 4 0.016785492 -15.632027168 12 -3.632027168 0.3 0.8173717482 0.0055027776 8.7033636 8.79492359 4.23647257 4.88428007 3.01057405 2.67640085 2.47079552 2.41671731 0.41844262 2.028759 0.33858279 -0.02213783 -5.11002264 -3.54525448 -0.01107779 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 73-48-3 2315 170465156 A Bendroflumethiazide FC(F)(F)c1cc2NC(NS(=O)(=O)c2cc1S(N)(=O)=O)Cc3ccccc3 Tox21_110365_1 -NCGC00254127-01 196714222 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -20.986642956 1 -19.986642956 4.9549173134 0.9570032547 0.0000037269 0.58088454 2.03817753 1.57636448 0.79439253 2.12006898 0.89562405 0.53363309 1.82145725 1.92372818 2.02427365 0.2474855 0.00952701 -1.25738731 -0.06508779 -16.23886913 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26172-55-4 33344 144210519 FC 5-Chloro-2-methyl-3(2H)-isothiazolone ClC1=CC(=O)N(C)S1 Tox21_300199 -NCGC00254120-01 196714227 tox21-ror-cho-viability-p1 set2 4 48.5577336745 -26.071878232 1 -25.071878232 1.692447691 0.9777982657 8.78E-8 2.40041756 0.68996369 0.82093956 2.16662601 1.60142831 0.7442784 1.98077404 -0.57831662 0.75779393 -0.35280238 0.81523184 -1.08249572 -2.85084535 -10.37044639 -18.39323186 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-83-0 5994 144210627 A A Progesterone CC(=O)[C@H]2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_300307 -NCGC00253940-01 196714235 tox21-ror-cho-viability-p1 set2 4 24.3365162115 6.990805284 -6.57227962 0.418525664 3.0654483358 0.35081006 0.3209644915 -1.40532976 -5.77197225 -10.5701811 -1.73758124 -8.80093025 -10.11865699 -3.91805114 -6.53061313 -7.35985111 -13.39356635 -6.37094422 -5.07740835 -5.14251088 -0.17906161 -0.06789528 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 64-67-5 6163 144210489 FNS Diethyl sulfate O=S(=O)(OCC)OCC Tox21_300169 -NCGC00254733-01 196714242 tox21-ror-cho-viability-p1 set2 4 1.30758227 2.24690396 -1.06908991 2.39551548 -1.32470189 1.208523 0.61206511 0.97957115 0.99915138 2.88784926 -1.30690731 1.68286304 6.05633566 3.36192008 5.20506911 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21662-09-9 5362620 144211146 A Ac (4Z)-4-Decenal CCCCC\C=C/CCC=O Tox21_300829 -NCGC00254052-01 196714639 tox21-ror-cho-viability-p1 set2 4 -0.32679181 -1.26870408 0.61872048 0.67210446 -0.16009252 -4.1169284 -0.01392009 0.03817996 -0.07256806 2.33337114 0.09414434 1.4922724 2.71365256 1.20297535 2.56575033 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 473289-62-2 9824131 144210558 A A Ilepatril CC(C)[C@H](SC(C)=O)C(=O)N[C@H]3Cc1ccccc1[C@H]2CCC[C@@H](C(=O)O)N2C3=O Tox21_300238 -NCGC00254841-01 196714643 tox21-ror-cho-viability-p1 set2 4 30.6378586933 10.724161808 -4.724161808 6 4.9549173134 0.4662034159 0.2097766251 -1.62386462 -2.85973838 -2.03250957 -0.3442101 -5.07543259 -7.98983524 -11.02013484 -1.93013316 -10.9072561 -8.03541687 -0.35096259 -1.18734687 -7.13775956 6.0500604 4.89263109 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108419-33-6 22833466 144211256 B F Acetic acid, C8-10-branched alkyl esters, C9-rich O=C(C)OCCC(C)C(CC)CC Tox21_300939 -NCGC00163953-03 196714658 tox21-ror-cho-viability-p1 set2 4 0.6404624 0.3603474 0.79964005 0.48010994 -0.00538034 0.19501186 -0.09926084 2.65789581 -0.15229769 -1.34264108 0.10568684 2.25351683 1.55011683 0.01882216 -6.11068025 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00254908-01 196715056 tox21-ror-cho-viability-p1 set2 4 -4.98062357 -1.94385027 -2.7820412 -9.09279636 -6.54618996 -6.87870554 -2.93589131 -7.33392771 -3.82574184 -3.83775248 -4.31691655 -0.63545547 -7.78690349 -4.56371728 -1.37106591 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1072-15-7 23677967 144211323 A A Sulfuric acid, monononyl ester, sodium salt [Na+].[O-]S(=O)(=O)OCCCCCCCCC Tox21_301006 -NCGC00258774-01 196702579 tox21-ror-cho-viability-p1 set1 -2.4 4.6883663607 -28.1162075439 2 -26.1162075439 4.5044702849 0.9839270507 1.34E-8 3.13412399 1.26747035 2.89660101 3.20299693 3.95229205 -1.02033616 1.32313359 1.62864716 1.1035159 -0.12525389 -4.00292366 -23.69552811 -26.29192366 -23.78208269 -28.84683962 1.146E-9 2.562E-9 5.73E-9 1.281E-8 2.865E-8 6.406E-8 1.4319999999E-7 3.203E-7 7.1619999999E-7 0.000001602 0.0000035809999999 0.0000080079999999 0.00001791 0.000040039999999 0.000089529999999 918-00-3 13514 144208420 F 1,1,1-Trichloropropanone ClC(Cl)(Cl)C(C)=O Tox21_201222 -NCGC00091759-02 196702156 tox21-ror-cho-viability-p1 set1 4 -2.28176242 0.24361604 1.6371704 -2.30070007 -0.33824282 5.46099895 7.20958922 1.5660233 -6.3276164 0.64961208 -0.17106969 -2.29872612 0.57417222 3.39689423 -8.58554482 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00258027-01 196702160 tox21-ror-cho-viability-p1 set1 4 0.43551317 3.98190467 -1.93193358 1.18578881 0.54867699 2.58019361 1.72864815 -2.33700578 6.62959629 1.952271 0.60630299 -2.29339396 4.5619441 -0.82939365 -1.22664933 1.18E-9 2.6389999999E-9 5.9009999999E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.299E-7 7.376E-7 0.000001649 0.000003688 0.0000082469999999 0.00001844 0.000041229999999 0.0000922 931-19-1 13602 144207671 A A 2-Methylpyridine 1-oxide [O-][n+]1ccccc1C Tox21_200473 -NCGC00258616-01 196702170 tox21-ror-cho-viability-p1 set1 4 3.30741798 1.48038562 5.23027028 4.80666363 4.04179144 5.66013973 2.84905524 1.08430775 1.57254665 -1.6729353 -2.3870605 1.41358678 -0.23439467 -1.58917566 3.49408659 1.165E-9 2.605E-9 5.8259999999E-9 1.303E-8 2.9129999999E-8 6.514E-8 1.457E-7 3.2569999999E-7 7.2829999999E-7 0.000001628 0.000003641 0.000008142 0.00001821 0.00004071 0.00009103 634-93-5 12471 144208261 A A 2,4,6-Trichloroaniline Clc1cc(Cl)cc(Cl)c1N Tox21_201063 -NCGC00257639-01 196702583 tox21-ror-cho-viability-p1 set1 4 0.0075708314 -11.819627976 -0.5 -12.319627976 2.4063783767 0.7313103173 0.0257338398 1.14876098 -3.90973641 -2.009396 -11.99095568 -13.8924662 -8.87412829 -13.27755655 -9.51899317 -7.74009314 -11.52238812 -12.25159181 -15.85638505 -16.09968998 -12.17598865 -14.31114892 1.164E-9 2.603E-9 5.8199999999E-9 1.301E-8 2.91E-8 6.507E-8 1.4549999999E-7 3.254E-7 7.276E-7 0.0000016269999999 0.0000036379999999 0.000008134 0.00001819 0.00004067 0.00009094 102-36-3 7607 144207283 F 3,4-Dichlorophenyl isocyanate Clc1ccc(/N=C=O)cc1Cl Tox21_200085 -NCGC00258757-01 196702585 tox21-ror-cho-viability-p1 set1 4 2.56217134 3.79808786 1.44536267 -1.95840042 0.31189792 3.12956454 5.76251105 0.08822318 1.81095123 8.36679236 1.04768978 0.48201913 6.83656252 6.28545105 8.86019171 1.188E-9 2.657E-9 5.941E-9 1.3279999999E-8 2.9699999999E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016609999999 0.000003713 0.000008303 0.00001856 0.000041509999999 0.00009282 25134-21-8 6602188 144208403 FC Methylnadic anhydride O=C2OC(=O)[C@]3(C)[C@@H]1C=C[C@@H](C1)[C@H]23 Tox21_201205 -NCGC00258341-01 196702592 tox21-ror-cho-viability-p1 set1 4 4.04147888 1.02235714 -1.09986904 4.47073419 2.84178323 2.90456754 5.54685064 2.72586242 4.04782841 4.67327189 1.62175018 0.52408601 9.49058361 1.40310533 2.54154541 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004129 0.000092319999999 2461-18-9 17163 144207985 A Bc Dodecyl glycidyl ether CCCCCCCCCCCCOCC1CO1 Tox21_200787 -NCGC00357280-01 196702996 tox21-ror-cho-viability-p1 set1 -2.2 7.4978038628 -51.590485324 -1.149196184 -52.739681508 0.7999999999 0.8928377055 0.0004537245 -0.22245927 -8.21920214 -0.34048994 -0.04542052 -5.2843003 -5.54228578 10.58322407 -2.46653643 -5.38259156 -11.6732664 -17.57894491 -17.1876283 -32.35812308 -31.25018421 -45.90873777 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 509-34-2 62357 251919767 F C.I. Solvent Red 49 CCN(CC)c4cc5Oc1cc(ccc1C3(OC(=O)c2ccccc23)c5cc4)N(CC)CC Tox21_303794 -NCGC00260573-01 196703004 tox21-ror-cho-viability-p1 set1 4 -2.31680039 -0.23771461 -2.55750577 -0.64030888 2.8327623 2.16094109 -7.73861064 -5.06085895 -0.36963911 -5.08828158 2.59714202 2.11901239 -7.35722165 0.09713603 2.50092499 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49469 144210226 M M NTP Mix81 CT1 62-EQP Tox21_203028 -NCGC00260285-01 196703413 tox21-ror-cho-viability-p1 set1 4 6.72463061 3.18277174 2.73041237 4.85002417 0.06729125 4.1332526 6.29672187 0.91221702 4.10361961 -0.01644395 8.1692672 5.80003756 3.58635457 4.46694217 3.45087825 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-82-7 7957 144209935 A A 2,6-Dimethyl-4-heptanol CC(C)CC(O)CC(C)C Tox21_202737 -NCGC00260577-01 196703008 tox21-ror-cho-viability-p1 set1 4 -2.23386029 -6.33144298 -2.75426086 -2.98576519 -8.76458018 -5.3980861 1.28540317 -1.13227732 -1.04092255 -1.99104225 -7.39431545 -2.63566129 -4.9541933 -0.93030351 -2.03267364 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49473 144210230 M M NTP Mix54 CT1 3-EQP Tox21_203032 -NCGC00091044-02 196703011 tox21-ror-cho-viability-p1 set1 4 0.36551738 1.83864564 2.53474864 4.12829101 -0.05595375 1.55564232 0.38531074 0.33898437 6.84054382 1.09819002 0.19732911 4.68256446 -1.54729833 1.15780991 0.38084226 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00357211-01 196703406 tox21-ror-cho-viability-p1 set1 4 -0.21588325 -0.13235234 1.2586487 -2.65190766 -0.02316502 1.14187745 1.86255301 8.036023 -3.87050798 0.09592079 7.91374382 4.21806133 0.01349738 2.08945237 -5.41800527 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-01-5 91759533 251919913 F Glycerol tributyrate O=C(CCC)OC(OC(=O)CCC)OC(=O)CCC Tox21_303991 -NCGC00090789-02 196716283 tox21-ror-cho-viability-p1 set2 4 8.6349217992 -9.372112608 -0.5 -9.872112608 3.9294729863 0.9614628255 0.0000056585 -0.44357415 -0.48213804 -0.55987615 -0.68437436 0.46144279 -0.38858028 0.12694315 0.0765308 -0.59437575 -1.59366715 0.35746143 -4.94377293 -10.31009384 -8.83185087 -0.55366671 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00166138-04 196716689 tox21-ror-cho-viability-p1 set2 4 14.9600854925 -11.931292612 3.5 -8.431292612 0.9999999999 0.6697598834 0.0537416832 0.44709325 1.55008691 4.2915775 2.13661606 5.63185364 7.91848691 3.4941848 5.93168336 1.64021396 2.58934665 -0.04310636 2.04086845 0.43902138 -4.45771555 -5.35941051 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 297-76-7 9270 170464933 F Ethynodiol diacetate CC(=O)O[C@@]4(C#C)CC[C@@H]3[C@]4(C)CC[C@H]2[C@H]3CCC1=C[C@H](CC[C@@H]12)OC(C)=O Tox21_112333_1 -NCGC00022003-06 196716697 tox21-ror-cho-viability-p1 set2 4 -4.32281211 -1.74688444 -2.82246404 2.1515773 -0.0147891 -1.19282011 1.68725411 -4.07879218 -1.16786821 0.53497405 -3.24759223 1.19953311 1.66741334 -3.95705206 -3.5293805 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33564-31-7 71414 170465294 A Diflorasone diacetate CC(=O)OCC(=O)[C@@]4(OC(C)=O)[C@@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3C[C@H](F)C1=CC(=O)C=C[C@@]12C Tox21_110875_1 -NCGC00263519-01 196716701 tox21-ror-cho-viability-p1 set2 4 -0.39303985 0.85682745 0.76135436 -0.14093259 1.24541753 2.36654118 3.38154182 1.24689523 -0.14150059 -0.03669007 1.27387011 0.97324261 0.36741823 1.87161487 2.31358959 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 120638-55-3 11954316 170465189 F Bromfenac sodium sesquihydrate [Na+].[Na+].O.O.O.O=C(c1ccc(Br)cc1)c2cccc(CC([O-])=O)c2N.[O-]C(=O)Cc1cccc(c1N)C(=O)c2ccc(Br)cc2 Tox21_112181_1 -NCGC00253573-01 196716707 tox21-ror-cho-viability-p1 set2 4 1.24081521 1.02525643 -1.05886379 1.80936734 2.41571432 0.63370097 1.52588395 -6.67423584 -0.82450562 -0.95452638 -0.23511447 0.24672152 -1.47232661 -2.60154269 2.59224533 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103475-41-8 59757 170466265 A A Tepoxalin CN(O)C(=O)CCc2cc(c1ccc(Cl)cc1)n(n2)c3ccc(OC)cc3 Tox21_113717 -NCGC00159376-04 196716709 tox21-ror-cho-viability-p1 set2 4 2.54194289 -1.09012489 2.05589085 2.14116437 7.88727729 8.4486479 7.98418001 8.89520871 2.85273811 1.89490676 2.5611628 4.79284178 1.20079406 0.57493806 1.90237638 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 99-76-3 7456 170465480 A Methylparaben Oc1ccc(cc1)C(=O)OC Tox21_111616_1 -NCGC00018254-08 196717108 tox21-ror-cho-viability-p1 set2 4 1.4960085492 -5.9606219079 3.5 -2.4606219079 1.752947691 0.5349581427 0.1496583474 2.00548226 0.29213451 -0.11322695 3.01448157 5.44475693 4.25997102 5.80747368 8.14979624 3.59081517 0.04645781 0.46903164 0.56927845 -5.38385159 -3.2015976 -0.5389185 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60628-96-8 2378 170465826 A Bifonazole c1cc(ccc1c2ccccc2)C(c3ccccc3)n4ccnc4 Tox21_110850_1 -NCGC00094815-05 196717114 tox21-ror-cho-viability-p1 set2 4 33.4914596268 17.2735394479 -3.2735394479 14 4.9549173134 0.7653763054 0.0154088428 -3.58309037 -7.72794954 -0.2894637 -5.92919238 0.14510831 -2.85176988 -3.0605464 -2.89508408 -3.5627279 -1.91925596 -3.85449162 -0.59872076 -3.18173606 -1.89849616 11.16627686 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 521-74-4 2453 170466167 A Broxyquinoline Oc1c(Br)cc(Br)c2cccnc12 Tox21_111338_1 -NCGC00015971-05 196717125 tox21-ror-cho-viability-p1 set2 4 0.49289994 -0.89866045 4.0449307 2.33616932 6.15918477 7.24680407 6.68687896 7.26595143 -0.47769026 0.48977681 0.04285746 1.06213053 0.26913801 0.41448897 0.07525622 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71-27-2 22475 170464625 F Succinylcholine chloride [Cl-].[Cl-].C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C Tox21_111268_1 -NCGC00254681-01 196714244 tox21-ror-cho-viability-p1 set2 3 68.5896218971 47.8683254627 1.5342994929 49.4026249556 4.9549173134 0.9794409272 5.59E-8 -0.29362126 0.53006319 -0.31278433 1.38232693 0.02499659 -0.30729105 0.38722243 1.9637471 2.23832764 3.24231203 4.17044833 2.81457785 3.01175445 4.13880968 40.59080878 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22781-23-3 2314 144211094 A Ac Bendiocarb CNC(=O)Oc1cccc2OC(C)(C)Oc12 Tox21_300777 -NCGC00261967-01 196713821 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -18.678327924 1 -17.678327924 4.9549173134 0.8881795252 0.0005681595 3.06809221 0.77428334 -0.54485845 -1.21493012 2.9405189 -0.54754843 1.38319839 -0.00563888 0.96857613 1.7571541 -1.20826714 3.0603859 1.04089818 0.7592968 -15.56527327 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118244-44-3 5282229 170466045 F A Prednisolone farnesylate C/C(C)=C\CCC(\C)=C\CCC(/C)=C/C(=O)OCC(=O)[C@@]4(O)CC[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_113887 -NCGC00016735-06 196713828 tox21-ror-cho-viability-p1 set2 4 -2.26924587 -3.22076298 -0.47033942 -2.57583978 -2.94773212 -4.09452863 -0.49862266 -2.25943689 -0.09002225 -5.24729022 2.63526806 -1.99785474 -3.45083115 0.43879535 3.06771281 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3615-24-5 5037 170466589 A Ramifenazone CC(C)NC=2C(=O)N(c1ccccc1)N(C)C=2C Tox21_111412_1 -NCGC00253962-01 196714239 tox21-ror-cho-viability-p1 set2 4 30.5444110439 14.7012256239 -5.7012256239 9 0.8999999999 0.6039945965 0.0946068618 -0.99797901 -7.89492294 -8.12737643 -0.8908168 -11.41768802 -8.57350732 -3.20119372 -3.63205327 -6.13363969 -5.46284809 -3.86933083 -0.80579839 -0.00436045 0.35775586 7.16070923 1.177E-9 2.631E-9 5.884E-9 1.316E-8 2.942E-8 6.578E-8 1.471E-7 3.289E-7 7.355E-7 0.000001645 0.0000036769999999 0.000008223 0.00001839 0.00004111 0.000091939999999 119-93-7 8413 144210598 A A 3,3'-Dimethylbenzidine Cc1cc(ccc1N)c2ccc(N)c(C)c2 Tox21_300278 -NCGC00255541-01 196700595 tox21-ror-cho-viability-p1 set1 4 0.40608068 1.40564176 0.89638554 2.97515054 1.41019563 -0.27349937 1.45899899 -0.22727272 -0.81611574 0.22382032 2.78976727 0.57681518 -0.28573672 2.62049849 4.01108875 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2627-95-4 75819 144212043 Fns 1,3-Divinyl-1,1,3,3-tetramethyl disiloxane C[Si](C)(O[Si](C)(C)C=C)C=C Tox21_301726 -NCGC00254350-01 196699776 tox21-ror-cho-viability-p1 set1 4 0.05355977 -0.34270305 0.34691254 0.31067496 -3.20840471 -5.76140779 -0.21149887 -0.99248753 0.42523509 -5.7457882 -0.35951134 -0.36968832 -4.19378291 -1.07695885 -4.17124781 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123122-55-4 5362417 144210768 A A Candoxatril O=C(N[C@@H]1CC[C@@H](CC1)C(=O)O)C4(C[C@@H](COCCOC)C(=O)Oc2cc3CCCc3cc2)CCCC4 Tox21_300450 -NCGC00255096-01 196699778 tox21-ror-cho-viability-p1 set1 2.4 68.5896218971 20.0073131679 -0.0073131679 20 4.9549173134 0.8684040191 0.0012433477 -0.66405072 -1.3521596 1.14294232 0.15665412 -0.78260296 -2.08942764 2.99724897 -0.35071186 2.55775578 0.94548407 0.66985935 2.05892917 -1.20688927 -0.65113408 16.32195598 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-63-2 4348 144211516 B N-Benzylethanolamine OCCNCc1ccccc1 Tox21_301199 -NCGC00254096-01 196699784 tox21-ror-cho-viability-p1 set1 4 3.47553896 -0.89597435 5.23764676 -1.046407 2.22409109 0.19176719 3.7999401 -0.77774388 1.48177052 1.63882227 2.03541628 0.73958352 0.51661994 7.53999126 2.26011393 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 53-03-2 5865 144210516 A A Prednisone OCC(=O)[C@@]3(O)CC[C@H]2[C@@H]4CCC1=CC(=O)C=C[C@]1(C)[C@H]4C(=O)C[C@@]23C Tox21_300196 -NCGC00091602-02 196700624 tox21-ror-cho-viability-p1 set1 4 0.52037493 -0.9076426 -0.93274288 0.82015107 2.31140889 -0.57870973 -0.18850272 0.2467538 4.24314463 -0.09527276 -0.7132831 2.82116678 0.2470317 6.44666743 0.77476254 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00255306-01 196700217 tox21-ror-cho-viability-p1 set1 4 0.1933118196 8.3805723879 -4.8805723879 3.5 0.4 0.5613515401 0.1281062508 -6.15047699 0.38602807 -5.47981203 -1.77701699 -3.8975694 -0.85266345 -0.53633313 -0.89655689 -0.03697536 4.29874349 -0.46161688 0.81142246 1.30413377 6.48131967 1.09730517 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-83-1 8140 144212429 F Ac 1-Bromooctane BrCCCCCCCC Tox21_302112 -NCGC00255422-01 196700225 tox21-ror-cho-viability-p1 set1 4 4.3277125691 10.56088888 -7.56088888 3 0.4 0.5010833414 0.1789376368 -11.7174074 -1.12255235 -6.92153587 -5.63958698 -7.43778159 -9.72332887 -3.79756832 -5.51923053 -2.49660092 -2.50394978 0.23639775 -4.36442922 -3.38680881 1.01414762 1.48031146 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 597-09-1 11696 144212059 A F 2-Ethyl-2-nitro-1,3-propanediol O=[N+]([O-])C(CC)(CO)CO Tox21_301742 -NCGC00090858-02 196700621 tox21-ror-cho-viability-p1 set1 4 0.00176032 -3.09763186 1.49098678 -1.94298484 0.4048242 2.64073937 1.03919328 -1.6141887 0.93232351 0.52829871 -0.77121383 0.579706 -3.03953163 -3.16627287 2.82557882 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00255665-01 196700629 tox21-ror-cho-viability-p1 set1 4 76.9588215421 10.8337168679 -0.8337168679 10 4.9549173134 0.5051143772 0.1766094285 -3.29048031 0.10841971 -4.02809739 -2.77950464 -3.02363202 -1.48307601 2.53645195 -2.20414613 -1.53286916 0.10763241 0.39006307 3.7335993 -0.36757501 -0.87012109 7.42924606 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 75-85-4 6405 144212673 Ac 2-Methyl-2-butanol CC(C)(O)CC Tox21_302356 -NCGC00255494-01 196700630 tox21-ror-cho-viability-p1 set1 -2.4 76.9588215421 -37.837935408 -4.196054464 -42.033989872 0.7999999999 0.509210975 0.1700331728 -3.82392745 -1.45990026 -4.10054942 -4.51858143 -10.05023466 -5.6278073 -6.47587448 -2.54523762 -13.98501495 -15.91053168 -9.39057874 -8.91495798 -0.16337872 -18.33379546 -31.69499156 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 31654-77-0 5365642 144212327 F Fns (9E,12Z)-9,12-Tetradecadien-1-ol acetate CC(=O)OCCCCCCCC/C=C\C\C=C\C Tox21_302010 -NCGC00255324-01 196700634 tox21-ror-cho-viability-p1 set1 4 1.16118127 -1.13267712 1.2338847 1.33001773 -0.58778823 0.33036057 -1.01606475 1.58641833 0.65633213 -0.87183179 -0.44621076 0.00815595 0.93058136 -0.67497037 0.3853946 1.286E-9 2.8749999999E-9 6.4289999999E-9 1.438E-8 3.2149999999E-8 7.1879999999E-8 1.607E-7 3.594E-7 8.0369999999E-7 0.000001797 0.0000040179999999 0.000008985 0.00002009 0.00004493 0.00010049999999 4979-32-2 21080 144211575 A Ac N,N-Dicyclohexyl-2-benzothiazolesulfenamide c1cccc2sc(nc12)SN(C3CCCCC3)C4CCCCC4 Tox21_301258 -NCGC00090780-04 196700636 tox21-ror-cho-viability-p1 set1 4 0.08910029 -5.5100346 -0.5716733 -2.91721313 0.35676451 -6.09917411 -2.97555029 -6.09887804 -0.08944418 -1.62846198 1.75729248 2.33715267 -3.0040214 0.06505594 -5.01054128 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00257171-01 196726929 tox21-ror-cho-viability-p1 set3 4 0.273060203 -8.904342736 5 -3.904342736 3.0654483358 0.3374557934 0.3804196471 30.77962681 4.50061787 7.90919966 -0.33649742 6.6179515 5.55280422 3.76159363 0.41496624 -6.70376288 -8.21448713 -9.13500848 12.99897098 0.23046679 -4.85790266 -11.58695228 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-74-4 6946 144213609 A A 2-Nitroaniline O=[N+]([O-])c1ccccc1N Tox21_303292 -NCGC00257135-01 196727266 tox21-ror-cho-viability-p1 set3 4 2.4336516212 3.7266380119 -2.7266380119 1 1.98874246 0.3961840002 0.2803636516 -0.39579236 -4.47520082 -2.86060708 -6.43886501 -1.53431213 0.08192493 -2.1063944 -3.04463189 -3.97451803 0 -1.51928299 1.16408274 3.77765514 -2.50677598 2.254201 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2050-92-2 16316 144213607 F Fns N-pentylpentan-1-amine CCCCCNCCCCC Tox21_303290 -NCGC00090708-05 196727271 tox21-ror-cho-viability-p1 set3 -1.2 19.3311819617 -27.6355347674 -4 -31.6355347674 4.9549173134 0.8602057888 0.0016273213 3.24560971 -0.57106465 -7.23636431 -2.72936899 -4.12837224 -8.48527097 -9.39003706 -7.35498686 -7.37157828 -5.77073477 -4.39999044 0.79168114 -15.12691097 -35.42699487 -28.00537021 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00256905-01 196727743 tox21-ror-cho-viability-p1 set3 4 5.4482673282 10.7989620639 -4.2989620639 6.5 4.9549173134 0.3492488704 0.3361199207 0.12510427 2.91049749 1.42504607 -7.61757515 -2.74321454 -8.51281149 -8.24246291 -7.38795158 -9.28248455 -0.43581809 -10.66580172 17.82049779 2.08486774 0.34672832 -0.05560806 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4128-17-0 638500 144213005 Ac F trans,trans-Farnesyl acetate CC(=O)OC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C Tox21_302688 -NCGC00256747-01 196727335 tox21-ror-cho-viability-p1 set3 4 5.08666993 -2.4538143 0.05180081 -3.40191537 3.05745244 2.54040558 4.71976399 0.74177215 1.49713056 4.6992101 5.91279062 4.88288172 3.05590276 3.94554572 2.61419661 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13380-94-4 96509 144212944 A A Corodane O=C1CC2CC1C3CCCC23 Tox21_302627 -NCGC00256610-01 196727347 tox21-ror-cho-viability-p1 set3 4 5.6427594077 4.758388732 0.741611268 5.5 4.9549173134 0.4928810558 0.1878134227 0.41372285 1.2568493 -1.88199061 4.03380058 0.79599259 0.50116765 2.1959758 4.62719633 0.16880059 -0.80050095 -0.96626861 8.40602947 3.43016584 6.72444553 4.23196531 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5949999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004246 0.00009493 2437-25-4 17092 144213238 F Ac Dodecanenitrile CCCCCCCCCCCC#N Tox21_302921 -NCGC00256440-01 196727755 tox21-ror-cho-viability-p1 set3 -2.4 68.5896218971 -33.608668152 0.5 -33.108668152 4.9549173134 0.9706264351 4.335E-7 -0.77642418 1.73982752 0.26946928 -0.33621498 1.41938603 -0.95923778 0.9491687 1.0407994 1.77726231 0.88989827 0.20009735 1.90735687 -2.44603887 -0.91890342 -26.75722346 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135-88-6 8679 144213217 A A N-Phenyl-2-naphthylamine c1cc3ccccc3cc1Nc2ccccc2 Tox21_302900 -NCGC00256592-01 196727767 tox21-ror-cho-viability-p1 set3 4 5.4482673282 10.0060930119 -4.0060930119 6 4.9549173134 0.3432276283 0.3261472537 -1.64994741 3.86662863 2.23581774 -11.25507751 -3.32051552 -10.19786833 -10.37522253 -0.33975899 -2.60552721 -1.38558788 -10.71014863 16.90527392 -0.00689228 3.75930547 3.97702556 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-85-3 8142 144213265 F Fns 1-Chlorooctane CCCCCCCCCl Tox21_302948 -NCGC00255752-01 196728164 tox21-ror-cho-viability-p1 set3 4 12.1971512362 -6.543101556 2 -4.543101556 4.0949729863 0.5476834163 0.1390562232 -3.91251439 -0.21490948 2.91721211 -0.04882943 0.66181735 3.7969134 3.87649009 3.47061717 2.30572328 4.03375839 4.76715351 0.58596372 -3.17901285 -6.70258463 -2.7678293 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4559-86-8 20691 144211832 A Fc 1,1,3,3-Tetrabutylurea CCCCN(CCCC)C(=O)N(CCCC)CCCC Tox21_301515 -NCGC00255756-01 196728578 tox21-ror-cho-viability-p1 set3 4 5.4482673282 -7.64209278 4.5 -3.14209278 4.9549173134 0.6366038342 0.0855398813 1.755885 5.37442616 6.65909323 4.43819676 4.27943864 2.34041573 4.27654671 6.71992287 0.3675192 7.52835767 5.12046742 -5.11841065 -3.70464821 0.02215985 3.8270616 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 542-28-9 10953 144212483 A Tetrahydro-2H-pyran-2-one O=C1CCCCO1 Tox21_302166 -NCGC00255963-01 196728576 tox21-ror-cho-viability-p1 set3 -1.1 19.3311819617 -88.4731340743 -3.4600445349 -91.9331786092 2.7202212143 0.9774144096 9.57E-8 2.65332166 -6.77087997 -4.73170641 -6.80350245 -1.77067887 -5.44854439 -7.23384112 -8.53221484 3.93656112 3.55718812 -10.22084952 -8.004653 -49.45488851 -79.55943845 -90.66388423 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4776-06-1 20906 144212741 A A Fluorosalan Oc1c(cc(Br)cc1Br)C(=O)Nc2cc(ccc2)C(F)(F)F Tox21_302424 -NCGC00255605-01 196728581 tox21-ror-cho-viability-p1 set3 4 0.1219715124 13.414936632 -15.914936632 -2.5 1.331 0.5571805137 0.1295116964 -3.11198166 -18.82554787 -24.92911386 -14.04265837 -18.2097868 -7.8828122 -8.96968879 -5.62092329 -3.23898667 -3.94207676 -3.34744919 2.13763211 -10.30847864 0.61475405 0.43574316 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5444-75-7 94310 144211793 A Ac 2-Ethylhexyl benzoate CCC(COC(=O)c1ccccc1)CCCC Tox21_301476 -NCGC00090773-04 196722035 tox21-ror-cho-viability-p1 set3 4 -4.70518032 -2.88431868 -5.66656612 -6.39674062 -3.78801811 -6.39059859 -6.81833194 -6.38139303 -3.74013871 -6.61283688 -3.74431037 -7.91336941 -1.09679203 -5.58568692 -0.38685391 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00260005-01 196722039 tox21-ror-cho-viability-p1 set3 -2.1 48.1136466187 -119.5641871525 -4.591544126 -124.1557312785 1.8851180601 0.9928563324 1E-10 -7.2355288 -4.45805394 -5.77574315 -6.61981698 -5.43156613 -6.04050989 -0.75533948 -6.09262948 -5.29835198 -0.85095336 -3.67137595 -9.16191661 -24.1644198 -52.66962776 -97.60670698 1.171E-9 2.618E-9 5.8529999999E-9 1.3089999999E-8 2.927E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.317E-7 0.0000016359999999 0.000003658 0.0000081809999999 0.00001829 0.0000409 0.00009146 2772-45-4 76013 144209654 A A 2,4-Bis(1-methyl-1-phenylethyl)phenol CC(C)(c1cc(ccc1O)C(C)(C)c2ccccc2)c3ccccc3 Tox21_202456 -NCGC00259440-01 196721645 tox21-ror-cho-viability-p1 set3 4 85.8226096694 -28.510580128 -4 -32.510580128 0.7999999999 0.6155336363 0.0861792036 -4.68513085 -5.16257411 -7.55163974 3.34219038 -3.50395816 -6.95817354 -2.5961564 -3.63640074 -7.23230148 -3.91050558 -6.01821623 -8.66642734 -11.60849959 -5.90367577 -25.42548344 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.00009175 135-88-6 8679 144209089 A A N-Phenyl-2-naphthylamine c1cc3ccccc3cc1Nc2ccccc2 Tox21_201891 -NCGC00259097-01 196721646 tox21-ror-cho-viability-p1 set3 4 77.6637265632 -18.572178896 1 -17.572178896 4.9549173134 0.6329979865 0.0749969481 -2.99505838 1.91322149 1.21406339 -0.18751132 -1.12201932 -2.62157236 -1.23028778 -1.38369463 5.86644807 3.6111744 1.92176034 -2.03925948 4.79933391 2.79309451 -13.81014908 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.9719999999E-8 6.6449999999E-8 1.486E-7 3.3219999999E-7 7.429E-7 0.0000016609999999 0.000003714 0.0000083059999999 0.00001857 0.00004153 0.00009286 556-61-6 11167 144208746 AC D Methyl isothiocyanate C\N=C=S Tox21_201548 -NCGC00259370-01 196722043 tox21-ror-cho-viability-p1 set3 4 -6.90268947 -4.97547022 -4.31806227 -2.4057329 -4.1463904 -3.90516835 -5.93881751 -5.79067576 -5.68831505 -4.02214311 -5.41051062 -6.58039359 -5.80750713 2.03409355 -1.48967784 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.9669999999E-8 6.635E-8 1.484E-7 3.318E-7 7.4179999999E-7 0.000001659 0.000003709 0.000008294 0.00001855 0.000041469999999 0.00009273 108-01-0 7902 144209019 A F Dimethylaminoethanol CN(C)CCO Tox21_201821 -NCGC00263576-01 196722434 tox21-ror-cho-viability-p1 set3 4 11.62482517 0.69513047 -0.09183318 -1.52351585 5.06402102 -4.19271411 -5.12230858 -0.57172334 0.98918096 9.42325691 5.90611912 3.24367313 3.37649449 6.64098089 5.7592622 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51952-41-1 60196354 170464922 A Gonadorelin hydrochloride Cl.O=C(NCC(N)=O)[C@H]6CCCN6C(=O)[C@@H](CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CO)NC(=O)[C@@H](Cc3cnc2ccccc23)NC(=O)[C@H](Cc4cncn4)NC(=O)[C@H]5CCC(=O)N5 Tox21_113381_1 -NCGC00023902-09 196722442 tox21-ror-cho-viability-p1 set3 4 0.2113168243 8.793547852 -6.793547852 2 4.9549173134 0.3642957325 0.3059179631 -6.31894797 -6.68191436 0 -6.80611928 2.74371187 -9.62760512 -21.49462321 -6.47730248 5.90858667 5.07274192 2.99740171 -1.54640978 -1.70521741 -4.55582027 8.97944098 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63-05-8 6128 170465907 A 4-Androstene-3,17-dione O=C2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_110893_1 -NCGC00178754-06 196722443 tox21-ror-cho-viability-p1 set3 4 0.1059092946 -21.3200123439 11.5 -9.8200123439 1.0999999999 0.5788530816 0.1122914874 0.32763847 17.61036607 11.45975585 18.4317341 15.35325502 -4.81049606 1.5085273 8.68134789 -9.72599661 -9.20382914 -12.38567331 -15.68334362 -13.1722266 6.96105443 -13.28781066 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63-45-6 6135 170465072 A Primaquine diphosphate O=P(O)(O)O.O=P(O)(O)O.CC(CCCN)Nc1cc(cc2cccnc12)OC Tox21_110350_1 -NCGC00025187-02 196722447 tox21-ror-cho-viability-p1 set3 -2.4 29.8492948118 -27.980455208 -1 -28.980455208 3.6272481694 0.7342989236 0.0245668183 -0.07230986 -0.55223264 0 -0.82868195 -6.00033431 -4.79398578 -7.73319131 -3.5099856 5.16639012 2.79635413 3.61666667 1.71828328 -4.33192477 -6.23866024 -24.15037934 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 75859-03-9 53388 170466216 A Rimcazole dihydrochloride Cl.Cl.C[C@H]4CN(CCCn3c1ccccc1c2ccccc23)C[C@@H](C)N4 Tox21_110953_1 -NCGC00181301-01 196722454 tox21-ror-cho-viability-p1 set3 4 -0.28701921 -0.16041921 -0.60368847 -1.60546886 -1.16167423 1.574431 0.28220783 -1.29160088 -1.81180005 -2.4004163 2.07551918 1.94839394 -5.07000924 -5.41695047 6.78136078 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77-90-7 6505 144206330 A A Acetyl tributyl citrate CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC Tox21_112777 -NCGC00164375-03 196722849 tox21-ror-cho-viability-p1 set3 4 33.4914596268 32.12206286 1.87793714 34 0.9999999999 0.5894965342 0.1045021288 2.87875404 -1.3869906 3.59416092 0.49881483 0 1.3679888 -2.14067675 2.81076491 -3.85171905 15.27116659 9.48802434 0.35805865 9.78177159 8.65655572 26.11079081 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 770-35-4 92839 170465645 F 1-Phenoxy-2-propanol CC(O)COc1ccccc1 Tox21_112108_1 -NCGC00164572-02 196722851 tox21-ror-cho-viability-p1 set3 -2.4 33.4914596268 -22.897229604 -1 -23.897229604 4.9549173134 0.85161506 0.0021622169 -2.52050893 -0.83755102 -3.26355802 1.66927613 -0.14208732 2.48152601 -1.23267641 -2.04344989 -2.39606151 -2.95149717 -1.59093674 0.2124624 -5.36762 -1.21365015 -20.33102467 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 168273-06-1 104850 170465599 A Rimonabant O=C(NN1CCCCC1)c4nn(c2ccc(Cl)cc2Cl)c(c3ccc(Cl)cc3)c4C Tox21_112200_1 -NCGC00260540-01 196703077 tox21-ror-cho-viability-p1 set1 4 0.86696833 5.75893033 1.4109693 -0.20361692 1.66293932 1.08449534 -0.00429635 1.76175785 3.73200675 1.58803093 1.23927093 -3.14572936 0.29877136 0.00392687 5.16301671 5.881E-11 1.3149999999E-10 2.9399999999E-10 6.575E-10 1.4699999999E-9 3.288E-9 7.351E-9 1.644E-8 3.676E-8 8.219E-8 1.838E-7 4.1089999999E-7 9.189E-7 0.000002055 0.000004594 118-74-1 8370 144210193 Z Hexachlorobenzene Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl Tox21_202995 -NCGC00090760-08 196702665 tox21-ror-cho-viability-p1 set1 -3 54.1504058934 -36.042590728 0.5 -35.542590728 3.5117481694 0.9330503459 0.0000407348 0.07001964 -0.73975373 0.10968064 1.05062988 1.21577422 0.60029141 -0.18209027 -0.08305124 -4.37016686 6.74405705 0.40405134 1.55321203 -0.66718061 -9.39026506 -30.45215894 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00260348-01 196703086 tox21-ror-cho-viability-p1 set1 4 15.2616579691 6.590950204 0.409049796 7 1.8851180601 0.4210939919 0.2541432737 -1.78956903 0.90533331 -1.30686192 2.6990182 0.66350981 2.26186776 4.87947229 -0.34021203 -1.17125504 0.10471239 -2.15912517 -0.0641154 8.23734975 1.47757081 9.0667505 1.1739999999E-9 2.625E-9 5.87E-9 1.3129999999E-8 2.9349999999E-8 6.5629999999E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003669 0.000008203 0.00001834 0.00004102 0.000091709999999 13706-86-0 26204 144210000 F 5-Methyl-2,3-hexanedione CC(=O)C(=O)CC(C)C Tox21_202802 -NCGC00258806-01 196703087 tox21-ror-cho-viability-p1 set1 4 -1.56412405 3.5346519 0.43812983 -1.55810913 -2.09518873 -0.9764226 3.34498182 0.89003245 -0.69647389 1.13584062 -2.58353023 -3.43561974 0.4529896 -1.12263194 6.38014682 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 115-96-8 8295 144208452 A A Tris(2-chloroethyl) phosphate ClCCOP(=O)(OCCCl)OCCCl Tox21_201254 -NCGC00260071-01 196703485 tox21-ror-cho-viability-p1 set1 -2.4 26.1762591493 -28.2002350639 -2.5 -30.7002350639 1.8851180601 0.7307108303 0.0258353227 -5.02824986 -5.39827919 -6.24495964 3.02789501 -3.86618866 0.5045695 -6.94829598 -8.21139682 1.92400077 0.51001238 -2.00394296 0.61000981 -7.61434394 -13.2447191 -23.08352922 5.82E-10 1.301E-9 2.9099999999E-9 6.506E-9 1.455E-8 3.253E-8 7.274E-8 1.627E-7 3.637E-7 8.133E-7 0.0000018189999999 0.000004067 0.000009093 0.000020329999999 0.00004547 148-82-3 460612 144209720 Cc Fc Melphalan O=C(O)[C@@H](N)Cc1ccc(cc1)N(CCCl)CCCl Tox21_202522 -NCGC00091426-02 196703488 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -22.636585228 1.5 -21.136585228 4.9549173134 0.9163781797 0.0001316834 0.36098872 2.16900171 -0.87839338 2.33735642 -1.89680881 0.24703961 2.85648936 1.68515663 2.30418861 2.17338999 0.63398064 2.59307492 1.08530793 0.86278763 -16.78048769 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00258342-01 196703491 tox21-ror-cho-viability-p1 set1 -3 26.9454243393 -48.0719718802 0.9559849594 -47.1159869208 4.9549173134 0.9415754011 0.0000447125 3.5284377 -0.18860148 -1.19092087 1.74305987 1.50255296 2.50874182 -0.47165747 2.4412995 0.43115523 -6.74630222 4.68815677 1.78625517 -2.00709938 -46.19214404 -19.53583508 1.167E-9 2.609E-9 5.835E-9 1.305E-8 2.917E-8 6.524E-8 1.459E-7 3.262E-7 7.294E-7 0.000001631 0.0000036469999999 0.0000081549999999 0.00001823 0.00004077 0.00009117 52417-22-8 2723598 144207986 A A 9-Aminoacridine, monohydrochloride, monohydrate Cl.O.Nc1c3ccccc3nc2ccccc12 Tox21_200788 -NCGC00260101-01 196703492 tox21-ror-cho-viability-p1 set1 4 1.01965713 -1.41128299 0.39583107 1.15270189 -13.51612926 2.19456734 -2.0320051 3.81490848 1.45908543 0.80782121 3.40132307 2.7753661 3.52119051 -1.54582159 -2.27413757 1.202E-9 2.6889999999E-9 6.0119999999E-9 1.344E-8 3.006E-8 6.722E-8 1.503E-7 3.361E-7 7.516E-7 0.0000016809999999 0.000003758 0.000008403 0.000018789999999 0.00004201 0.00009394 80-10-4 6627 144209750 F F Dichlorodiphenylsilane Cl[Si](Cl)(c1ccccc1)c2ccccc2 Tox21_202552 -NCGC00260351-01 196703498 tox21-ror-cho-viability-p1 set1 4 7.26038428 3.17615382 2.20583902 1.66963101 0.65098896 -0.10578471 5.39048492 6.95174561 -0.64025244 1.23860852 0.30675866 6.66694072 1.38113033 0.52694436 0.70690895 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.302E-7 7.3839999999E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.0000923 1450-85-7 1550489 144210003 Z Ac Pyrimidine-2-thiol S=C1N=CC=CN1 Tox21_202805 -NCGC00260161-01 196703899 tox21-ror-cho-viability-p1 set1 -1.1 15.3553036427 -104.9011466681 2.5178652459 -102.3832814222 1.6604358099 0.988414923 2E-9 -0.44320208 2.3494379 3.83159205 6.68770485 5.64450006 5.2876629 -0.5638278 -4.61717724 6.95702612 0.31922978 -8.99933591 -26.69365018 -54.79063526 -91.34862862 -93.75758372 1.18E-9 2.6389999999E-9 5.9009999999E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.299E-7 7.376E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.0000922 701921-71-3 16217238 144209811 A A Trihexyltetradecylphosphonium dicyanamide N#C[N-]C#N.CCCCCC[P+](CCCCCCCCCCCCCC)(CCCCCC)CCCCCC Tox21_202613 -NCGC00255913-01 196701010 tox21-ror-cho-viability-p1 set1 4 48.5577336745 7.05280818 -1.05280818 6 4.9549173134 0.3437672409 0.3300096832 -1.96892902 -3.62691384 -4.14082623 -1.93631778 1.54448663 2.95324892 0.79987761 -2.59353856 3.27286775 -0.16891328 -0.19895697 -4.62734015 -1.7665635 0.8644053 5.56571265 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1792-17-2 74523 144211670 A A N,N'-Dibutylurea CCCCNC(=O)NCCCC Tox21_301353 -NCGC00256036-01 196700605 tox21-ror-cho-viability-p1 set1 4 0.08324141 -2.28642703 -3.17776187 -2.70113212 -1.54425082 5.98365109 -1.64224528 0.22150551 -2.31493036 -2.42432216 4.71963676 1.90687934 1.53393202 2.53631796 5.83148607 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 36177-92-1 118285 144212062 A Ac N-Butyl-2,2,6,6-tetramethylpiperidin-4-amine CC1(C)CC(NCCCC)CC(C)(C)N1 Tox21_301745 -NCGC00255423-01 196728106 tox21-ror-cho-viability-p1 set3 4 0 3.11079123 3.175031 0.27743415 4.13944705 4.05769143 -1.35011287 1.28271168 1.76768159 2.60678083 1.96485893 -1.51923189 -1.66510969 -0.05449922 0.22316893 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2545-59-7 17349 144212233 A A 2,4,5-T-butotyl Clc1cc(OCC(=O)OCCOCCCC)c(Cl)cc1Cl Tox21_301916 -NCGC00091210-02 196727688 tox21-ror-cho-viability-p1 set3 4 1.14706543 -0.17372551 -1.64433375 -19.87737276 -19.62086609 -1.49355697 -0.43430392 -2.56017262 -2.29194624 -1.009223 0 -11.78906922 -8.00889945 -8.28532488 -4.55053753 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00255205-01 196728100 tox21-ror-cho-viability-p1 set3 4 7.25696376 -0.27864293 2.57516987 -1.31550776 0.72111511 1.72934189 3.22899643 2.37512705 4.06224621 2.89684965 2.66664925 -2.9340605 4.97025916 -0.21131697 1.87422951 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 598-55-0 11722 144211705 A Methyl carbamate NC(=O)OC Tox21_301388 -NCGC00255526-01 196728103 tox21-ror-cho-viability-p1 set3 -2.4 38.5707788719 -28.087572984 0 -28.087572984 0.5999999999 0.7879155839 0.0101711175 -0.3013308 0.12739154 0.67046409 1.74677079 -2.10825299 -1.83141505 -0.86758808 -0.90217104 0.25867552 -3.38058396 -9.62918161 -9.62596344 -10.78815798 -6.43889212 -23.40631082 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66575-29-9 47936 144212716 A A Forskolin CC(=O)O[C@H]2[C@@H](O)[C@@H]1[C@](C)([C@@H](O)CCC1(C)C)[C@@]3(O)C(=O)C[C@](C)(C=C)O[C@]23C Tox21_302399 -NCGC00255242-01 196728498 tox21-ror-cho-viability-p1 set3 4 0.47785493 4.23631121 0.13285664 1.40172939 0.76500392 0.93577724 1.25012419 3.90790217 4.46148235 1.58055572 4.3151135 0.14337302 1.22566377 4.93880132 2.4836958 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 3039-83-6 3270262 144211783 Sodium ethenesulfonate [Na+].[O-]S(=O)(=O)C=C Tox21_301466 -NCGC00090986-03 196728502 tox21-ror-cho-viability-p1 set3 -3 77.4286392264 -59.815440632 1.9598302825 -57.8556103495 4.9549173134 0.7225142287 0.0287196037 1.59227437 -1.16447474 -8.58973295 -1.20639411 5.01385463 10.78252488 11.65415345 1.73705282 2.91357276 -5.50717535 -6.02109838 -6.47035543 15.12386049 8.51293948 -45.67953386 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00255844-01 196728515 tox21-ror-cho-viability-p1 set3 4 1.47941328 0.16054609 3.98367174 3.63112149 -1.24329206 1.10127289 3.05526309 6.35974134 3.29374131 2.35102384 6.54530627 0.47207603 4.25558369 4.61634183 2.65602352 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-87-7 8769 144211667 A A Ethyl diethanolamine CCN(CCO)CCO Tox21_301350 -NCGC00255133-01 196728914 tox21-ror-cho-viability-p1 set3 4 -5.45002621 4.15656248 2.40772509 2.26827301 0.50354431 2.50982734 4.35519924 3.78557639 3.77505828 1.23931548 4.35860967 -0.55343998 0.02732902 -0.45813383 -0.73702215 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22232-54-8 31072 144212637 A A Carbimazole S=C1N(C=CN1C)C(=O)OCC Tox21_302320 -NCGC00091532-04 196728920 tox21-ror-cho-viability-p1 set3 -2.2 43.8057889539 -42.8605154303 1 -41.8605154303 2.3331733767 0.9287781501 0.000056376 -2.97849061 -4.37615552 1.41790845 2.20415332 2.41525149 -0.30300714 2.2939076 4.82733343 3.5951553 1.77371714 -1.22227767 -2.6967929 0.50580026 -21.78799414 -34.74281472 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00258096-01 196729410 tox21-ror-cho-viability-p1 set3 -2.4 27.7230805233 -24.280144332 0.5 -23.780144332 1.3987170999 0.9478510397 0.0000106565 0.49548004 2.58969952 -0.74416563 1.15140558 0.98145936 0.62706196 0.5028356 -0.73016643 0.66755859 -0.08091306 -0.88482514 -1.05794062 -11.01471814 -11.81956936 -21.48345361 1.195E-9 2.672E-9 5.976E-9 1.336E-8 2.988E-8 6.6809999999E-8 1.494E-7 3.341E-7 7.47E-7 0.0000016699999999 0.000003735 0.000008352 0.00001867 0.000041759999999 0.00009337 13020-57-0 83050 144207740 A A 3-Hydroxybenzophenone O=C(c1cc(O)ccc1)c2ccccc2 Tox21_200542 -NCGC00091210-02 196728994 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -28.4980706119 2.5 -25.9980706119 4.9549173134 0.6629680853 0.0566711852 -0.34594329 9.23296778 2.0770262 3.87380854 11.22989685 -1.57684121 -1.32977513 3.28804948 -1.51612749 7.07891282 -3.98367979 4.70024658 -0.58048382 0.68610279 -20.83172551 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00090698-04 196729000 tox21-ror-cho-viability-p1 set3 4 0.34712633 3.01021686 -1.7024268 -2.40593409 -0.34636742 -0.90157297 -0.97783093 -1.52091823 3.10089184 -2.53182833 -3.47827335 -3.60404717 -1.16328314 -2.99497094 0.99537453 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00163771-03 196697925 tox21-ror-cho-viability-p1 set1 4 -2.92983165 -0.53734426 -6.60439659 1.02125951 -6.7517273 -3.29630433 -0.37113796 -0.04009632 0.46912412 -4.16644953 0.24749496 1.58355319 -3.34788844 -0.31993923 1.62671303 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00092314-04 196697918 tox21-ror-cho-viability-p1 set1 -1.1 0.2984929481 -84.3849771392 0.1064750399 -84.2785020993 2.8472712143 0.9970590321 0 1.07558229 2.22897172 -4.53257315 -1.16535369 0.29186431 0.64586489 0.36639651 -14.04955713 -54.4586863 -78.87149922 -78.85143827 -86.70627788 -85.24210567 -85.73343138 -83.81983682 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35943-35-2 65399 170466256 A Triciribine CN4N=C(N)c2cn([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c3ncnc4c23 Tox21_111192_1 -NCGC00094990-04 196697923 tox21-ror-cho-viability-p1 set1 4 -6.32329214 -6.28851708 -4.22825727 -2.89262609 -8.18576986 -6.48106575 -4.83839443 -6.32864226 -2.97654648 -5.5260024 -3.33202612 -1.45010567 0.72585407 -1.77222154 -2.36063869 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-08-9 2005 170466424 A Acexamic acid O=C(O)CCCCCNC(C)=O Tox21_111377_1 -NCGC00249923-01 196697924 tox21-ror-cho-viability-p1 set1 4 0.0023710138 6.0098303759 -6.0098303759 0 4.9549173134 0.4320969915 0.2442060217 -3.36165196 -8.75819198 -1.19395667 -0.62889543 -1.11671501 0.71236206 -0.69594144 -6.55638348 -0.18946847 0.05198966 2.70099201 1.64045643 0.95882065 -0.30807466 2.57696666 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14929-11-4 5217 170466018 F A Cholesolvin Clc2ccc(OC(C)(C)C(=O)OCCCOC(=O)C(C)(C)Oc1ccc(Cl)cc1)cc2 Tox21_113699 -NCGC00015471-08 196697929 tox21-ror-cho-viability-p1 set1 4 0.0023710138 -4.6412369039 4.5 -0.1412369039 4.9549173134 0.3604517031 0.3306766695 3.15018779 6.01854169 0.33373499 -0.30323198 2.9853227 2.11672281 -0.68728753 -1.78561325 -5.11769742 -3.09280514 2.36271078 0.72787653 0.54017828 1.06208987 4.51522539 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82410-32-0 3454 170464961 A Ganciclovir OCC(CO)OCn2cnc1c2N=C(N)NC1=O Tox21_110160_1 -NCGC00344561-01 196697930 tox21-ror-cho-viability-p1 set1 4 -3.95363115 -1.74353199 -3.17957282 -0.90654836 -2.55419707 -1.12172844 -0.09968723 -0.76829512 -2.32033826 -1.00819033 -0.03657942 -0.09524798 0.24625166 0.10019544 -5.81243241 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35189-28-7 6540478 170464733 I Norgestimate CC(=O)O[C@@]3(C#C)CC[C@H]2[C@@H]4CCC1=CC(\CC[C@@H]1[C@H]4CC[C@@]23CC)=N\O Tox21_112811_1 -NCGC00160613-02 196697934 tox21-ror-cho-viability-p1 set1 4 -1.52612098 0.27984501 0.52630401 -1.91387382 0.75105222 0.51778217 -0.28936115 1.9745321 1.96864373 0.38542583 0.61860508 1.82258987 -0.79071902 -1.1637429 -0.9936653 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98-79-3 7405 170466347 A Pidolic acid O=C(O)[C@@H]1CCC(=O)N1 Tox21_111936_1 -NCGC00183000-01 196697940 tox21-ror-cho-viability-p1 set1 4 -2.89316908 -3.75371755 -5.92778203 -3.48713418 -4.06380252 -2.1424022 -2.74835817 -3.26520913 -0.70631359 -0.38013837 -2.41795596 -3.54572298 -0.0678415 -4.00133556 1.1170512 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 116287-13-9 198707 144206892 A A Lanperisone hydrochloride C[C@H](CN1CCCC1)C(=O)c2ccc(cc2)C(F)(F)F Tox21_113341 -NCGC00247351-03 196723272 tox21-ror-cho-viability-p1 set3 -3 2.6890019087 -33.9846696859 1.0855413484 -32.8991283375 4.9549173134 0.6322400902 0.1417694473 -4.68208934 -4.09152642 1.67437024 5.87602698 -3.14561225 -6.5456072 1.86296971 14.83708612 -6.2700078 9.46798934 -33.45208691 5.42898163 14.01814403 14.31666929 12.82670388 1.165E-9 2.605E-9 5.825E-9 1.302E-8 2.912E-8 6.5119999999E-8 1.456E-7 3.256E-7 7.281E-7 0.000001628 0.000003641 0.000008141 0.0000182 0.0000407 0.00009101 124819-25-6 12259683 144206430 A A (-)-Pentazocine succinate O=C(O)CCC(=O)O.C/C(C)=C\CN2CC[C@@]1(C)c3cc(O)ccc3C[C@@H]2[C@@H]1C Tox21_112877 -NCGC00166124-03 196722855 tox21-ror-cho-viability-p1 set3 4 3.30216231 2.0499143 1.21145051 0.33328742 7.76199204 0.69891944 -2.31321684 -1.66482763 1.12979125 5.75480153 0.86817387 2.07284002 -7.88316629 -0.41620611 6.09510591 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103-41-3 7652 170465584 F Benzyl cinnamate O=C(OCc1ccccc1)C=Cc2ccccc2 Tox21_112329_1 -NCGC00178810-03 196722858 tox21-ror-cho-viability-p1 set3 2.4 13.3331902297 32.412372452 1.587627548 34 0.4 0.6817692725 0.0467148081 2.10828147 3.75789002 -1.59364371 -1.31533412 15.70299942 2.7542729 6.06778844 2.39467346 4.75835806 10.02159839 16.41689298 13.3458661 11.92857914 16.88854605 27.33953914 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1476-53-5 23663939 170465360 A Novobiocin sodium [Na+].C/C(C)=C\Cc1cc(ccc1O)C(=O)NC3=C([O-])c4ccc(O[C@@H]2OC(C)(C)[C@H](OC)[C@@H](OC(N)=O)[C@H]2O)c(C)c4OC3=O Tox21_110747_1 -NCGC00163724-03 196723271 tox21-ror-cho-viability-p1 set3 4 -11.66799651 -12.57053956 -13.56391458 -8.56433002 -6.08596165 -10.30194078 -9.77833649 -11.1929181 -3.27112889 -5.66420981 -8.06948465 -9.99166994 -10.19722203 -14.80901143 -22.99332397 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00095041-08 196723274 tox21-ror-cho-viability-p1 set3 4 9.26655584 11.22279821 0.80267263 4.50342486 5.93463653 8.97963762 5.22097009 0.29845434 8.38237653 8.75308424 2.5456366 8.43335698 11.64373061 9.59151456 27.62784002 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-79-6 5641 170466651 F Urethane NC(=O)OCC Tox21_111398_1 -NCGC00249052-02 196718003 tox21-ror-cho-viability-p1 set2 4 0.82009426 1.02620942 3.25191998 6.460533 5.09572482 2.56285889 7.31056562 6.53830077 0.10939139 -0.30619983 -2.1112396 -0.22442388 0.13286998 0.23634554 0.27423287 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5743-49-7 68651 170465651 F Calcium levulinate [Ca+2].O.O.O=C([O-])CCC(C)=O.CC(=O)CCC([O-])=O Tox21_112315_1 -NCGC00015288-09 196717992 tox21-ror-cho-viability-p1 set2 4 -0.77661279 1.06188063 0.71918985 2.22704498 6.11143822 2.90322322 2.94151355 2.1371376 0.12032909 3.23968692 0.02564139 1.36137277 1.42775046 0.9017873 2.52053786 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2259-96-3 2910 170465274 A Cyclothiazide NS(=O)(=O)c4cc1c(NC(NS1(=O)=O)C3CC2C=CC3C2)cc4Cl Tox21_110124_1 -NCGC00094571-08 196717990 tox21-ror-cho-viability-p1 set2 4 -3.32044531 -2.92619721 -4.03479494 -0.9221939 -3.40594172 -0.56467028 -0.36254051 -2.26767745 -1.14019643 -4.00753214 -1.67566794 -0.79937805 -0.62339398 -0.45871106 -1.73417521 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 483-63-6 2883 170464851 A Crotamiton CCN(C(=O)C=CC)c1ccccc1C Tox21_110446_1 -NCGC00247719-01 196718002 tox21-ror-cho-viability-p1 set2 4 -0.85259702 -6.19801462 -0.01491916 -6.16227049 2.71350209 -6.5030243 1.27084519 1.92645569 -5.31921986 -6.20027305 -4.86982082 0.18143799 -1.64415214 1.9157879 1.30798864 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.794E-8 1.519E-7 3.397E-7 7.596E-7 0.0000016979999999 0.000003798 0.000008492 0.000018989999999 0.00004246 0.00009495 0.0002123 106133-22-6 6442928 144206435 A A 1-Benzylpiperazine difumarate O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.c1ccccc1CN2CCNCC2 Tox21_112882 -NCGC00023339-16 196718004 tox21-ror-cho-viability-p1 set2 4 -4.38863078 -0.17078305 -1.49408123 -3.97998323 -3.28530244 -3.55021345 -3.99280482 -2.57683998 -0.78713991 -2.83507914 -1.63653475 -2.18529108 -1.47097347 0.78214999 -1.43486174 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 92-13-7 5910 170464845 Z Pilocarpine Cn2cncc2C[C@H]1COC(=O)[C@H]1CC Tox21_110887_1 -NCGC00260607-01 196703904 tox21-ror-cho-viability-p1 set1 4 -1.31394688 1.13567507 2.21198169 -0.78578163 -0.82930298 -1.03747809 3.00400409 5.72145402 0.36717406 3.65849279 6.44715655 2.98131157 0.35043938 0.39056887 3.88529801 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49503 144210260 M M NTP Mix10 AR1 8-EQC Tox21_203062 -NCGC00356977-01 196703900 tox21-ror-cho-viability-p1 set1 -2.1 17.2289340586 -83.6730066316 -5.07433887 -88.7473455016 1.826479391 0.963902643 0.0000013787 -12.02486342 -9.66693712 -4.20743349 -0.32085917 -4.10022457 -8.80152746 -9.50656658 0.55299693 -1.55408871 -2.59939449 -8.70316113 -19.10705837 -57.57466062 -64.63200772 -90.19039177 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 20018-09-1 62738 251919708 A Diiodomethyl 4-methylphenyl sulfone Cc1ccc(cc1)S(=O)(=O)C(I)I Tox21_303744 -NCGC00260605-01 196703901 tox21-ror-cho-viability-p1 set1 4 1.1883218301 -9.00476978 1 -8.00476978 4.9549173134 0.6303217924 0.0892895578 -0.69998527 2.98568295 -0.00604121 0.69564191 0.42034331 0.20076297 0.79153803 0.28207661 4.64421059 1.57337776 -9.84391838 -12.08730815 -9.64561762 0.56596642 10.65984897 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49501 144210258 M M NTP Mix8 AR1 8-EQC Tox21_203060 -NCGC00357205-01 196703902 tox21-ror-cho-viability-p1 set1 4 -0.40060917 0.34455093 1.70681922 1.14142106 0.09299335 0.6501759 -2.01502096 -0.2138249 1.13677331 -0.11876599 0.856758 0.30686704 4.65053007 -3.1000826 0.48527386 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-22-3 6800 251919649 Ac 2,3,4,5,6-Pentabromoethylbenzene Brc1c(CC)c(Br)c(Br)c(Br)c1Br Tox21_303981 -NCGC00260622-01 196703912 tox21-ror-cho-viability-p1 set1 4 0.30614565 -1.93017594 -0.97940723 -1.32627224 -1.9767569 -6.63801889 -0.87625278 0.75054432 -1.26099403 -0.18136038 -0.66076802 0.9545371 -8.22101634 -2.24079254 0.15475485 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49518 144210275 M M NTP Mix99 ER1 10-EQC Tox21_203077 -NCGC00021466-05 196704319 tox21-ror-cho-viability-p1 set1 4 2.46177611 1.53489519 2.03047792 1.43959959 -0.61246338 0.06795146 1.89090706 1.37058165 4.33895263 3.78808119 5.33270541 -0.50498791 3.46863827 1.58478249 -4.33283729 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 434-03-7 5284557 170466182 A Ethisterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@@]1(O)C#C)=C4 Tox21_111604_1 -NCGC00253645-01 196704326 tox21-ror-cho-viability-p1 set1 4 0.0066824247 -7.3747501 5 -2.3747501 0.7999999999 0.6313935311 0.0772830141 5.64568393 0.34447134 4.29855963 2.05123934 -0.37448179 -1.69377627 -0.57187305 -0.4873974 -5.31229175 0.10977706 -3.24835633 -4.08930946 -1.75491499 -0.6728585 -1.56851925 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3453-33-6 76991 170466750 Ac A 6-Methoxy-2-naphthalaldehyde O=Cc1ccc2cc(ccc2c1)OC Tox21_113771 -NCGC00179663-03 196704327 tox21-ror-cho-viability-p1 set1 4 3.0466782 3.88012033 3.20591175 0.09748551 -0.13425391 7.66711243 1.43469209 2.97196961 2.74301005 0.5959488 2.58183464 3.20605883 1.67689038 0.85853505 1.28219552 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 159701-44-7 6321253 170465966 A (-)-(5S,8R)-Lisuride CCN(CC)C(=O)N[C@@H]2C=C1c3cccc4ncc(C[C@@H]1N(C)C2)c34 Tox21_112019_1 -NCGC00263442-01 196704330 tox21-ror-cho-viability-p1 set1 -2.4 9.4391758155 -37.394213396 0.5 -36.894213396 0.7999999999 0.9522088153 0.0000065783 -0.58464035 0.27887634 -3.22137203 0.32811862 0.36683328 2.35555955 -2.00766656 3.98296523 -0.13738919 -6.86404248 -8.60788175 -10.33136369 -19.48657175 -22.53105147 -29.49517783 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 154-42-7 2723601 170464908 A 6-Thioguanine NC2=Nc1ncnc1C(=S)N2 Tox21_111035_1 -NCGC00258409-01 196729331 tox21-ror-cho-viability-p1 set3 4 1.68218888 0.75845029 0.29789702 1.5042531 -0.64979549 0.61883208 0 0.07567604 1.48912575 4.09023004 2.39989729 -0.64265935 -0.38646565 1.51180785 0.96802926 1.188E-9 2.6549999999E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 926-06-7 13551 144208053 D Isopropyl methanesulfonate CC(C)OS(C)(=O)=O Tox21_200855 -NCGC00255652-01 196728921 tox21-ror-cho-viability-p1 set3 4 0.41239199 -4.62572628 -2.20078183 -3.38872456 -8.42943433 6.64911048 -3.1168658 0.68567457 2.20996133 -7.83527618 -4.89858737 8.41365626 6.08947906 -5.83704906 -8.3828036 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 6152-33-6 517383 144211704 A A Sodium 2-phenylphenate tetrahydrate [Na+].O.O.O.O.[O-]c2ccccc2c1ccccc1 Tox21_301387 -NCGC00090962-05 196728923 tox21-ror-cho-viability-p1 set3 4 48.2616000528 -11.3186399799 -1.5 -12.8186399799 0.8999999999 0.5250936406 0.1588287675 2.57552675 -3.8716307 -3.1120383 -3.49084923 0.81581851 -2.3505775 0.64125126 -3.82997527 -3.19237196 0.06597798 -1.899885 -6.26238096 -3.94457699 -5.09770278 -9.84886665 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00255831-01 196728932 tox21-ror-cho-viability-p1 set3 4 0.63726395 -4.28518581 -1.24353997 -1.25760266 -0.38768382 -0.331416 3.18261319 -0.61359492 2.8867713 2.76400046 3.19163364 -0.31572876 -1.30357039 0.19581084 4.12597768 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69806-34-4 50895 144212174 A A Haloxyfop O=C(O)C(C)Oc1ccc(cc1)Oc2ncc(cc2Cl)C(F)(F)F Tox21_301857 -NCGC00258627-01 196729338 tox21-ror-cho-viability-p1 set3 4 1.50334309 0.82370704 0.00603965 0.22431512 1.02266957 0.03941044 1.49120665 -1.96837532 3.33192079 1.75214071 -0.03572155 -0.64947837 2.54849367 -0.46467972 -0.75864353 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9569999999E-8 6.613E-8 1.479E-7 3.306E-7 7.394E-7 0.0000016529999999 0.000003697 0.000008266 0.00001848 0.00004133 0.00009242 132-20-7 25150753 144208272 A A Pheniramine maleate [O-]C(=O)/C=C\C([O-])=O.C[NH+](C)CCC(c1ccccc1)c2[nH+]cccc2 Tox21_201074 -NCGC00258725-01 196729753 tox21-ror-cho-viability-p1 set3 4 4.24857852 0.19488502 -1.38656536 1.63483875 2.25864546 -0.82313994 2.2753847 3.64489158 5.22464971 -0.09167935 1.14525807 0.82768366 0.74835637 0.17021861 -0.90957143 1.185E-9 2.651E-9 5.927E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3129999999E-7 7.409E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009261 7756-96-9 24433 144208371 A A Butyl anthranilate Nc1ccccc1C(=O)OCCCC Tox21_201173 -NCGC00258784-01 196729757 tox21-ror-cho-viability-p1 set3 4 31.0433465046 -10.6026353359 0 -10.6026353359 2.3331733767 0.490006858 0.2065930908 0.10038139 0.4333721 -1.92420587 2.99607313 1.27315683 -2.23709204 -2.26236348 1.27435034 1.36534289 2.23417146 -0.07995503 -5.31022604 1.04838774 -9.66886278 -0.66253701 1.193E-9 2.667E-9 5.963E-9 1.333E-8 2.981E-8 6.6659999999E-8 1.491E-7 3.3329999999E-7 7.4529999999E-7 0.0000016669999999 0.0000037269999999 0.000008333 0.00001863 0.00004167 0.00009317 27813-02-1 13539 144208430 D Hydroxypropyl methacrylate CC(=C)C(=O)OCC(C)O Tox21_201232 -NCGC00090952-07 196729762 tox21-ror-cho-viability-p1 set3 4 12.4083198704 17.6771717359 -14.1771717359 3.5 3.1319983358 0.3503410805 0.3188758587 -1.79243315 -10.54193866 -3.3328048 -1.095299 -29.31430978 -2.13448252 -22.95659346 -24.89686202 -19.63158777 -23.23506963 -17.26969295 -13.28965237 5.25308294 2.63356368 0.4317562 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00091643-08 196730162 tox21-ror-cho-viability-p1 set3 -1.2 17.2289340586 -39.9620476337 3.2893445485 -36.6727030852 3.9899729863 0.9749932767 1.72E-7 3.25570562 -2.75259449 5.62727284 4.60670975 2.88561793 4.53292168 0.26519996 2.21415322 4.83756799 5.20834742 3.34729956 3.00109705 -19.29299844 -33.22970916 -38.58583619 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00258189-01 196730173 tox21-ror-cho-viability-p1 set3 4 -4.47836156 -0.49526665 -15.78258182 -7.53426059 -8.61728821 -11.65899853 -25.76133221 -22.06883723 -19.86120074 -28.29189612 0 -12.24405271 3.05593666 2.83633801 -4.64278715 1.158E-9 2.589E-9 5.79E-9 1.2949999999E-8 2.8949999999E-8 6.473E-8 1.447E-7 3.2369999999E-7 7.237E-7 0.000001618 0.000003619 0.000008091 0.000018089999999 0.00004046 0.000090469999999 110-61-2 8062 144207833 A A Succinonitrile N#CCCC#N Tox21_200635 -NCGC00255792-01 196700806 tox21-ror-cho-viability-p1 set1 4 2.4336516212 -10.04201366 -1 -11.04201366 4.9549173134 0.7979865214 0.0116111605 -6.02886456 -1.08521182 0.15426441 1.86982018 1.3729111 -4.68774495 -0.06166547 1.83978195 -1.19673749 -1.30673747 -11.70167805 -10.93953678 -9.23319294 -11.54221367 -5.58134894 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1497-49-0 5702667 144212419 F A N,N'-Penta-1,3-dien-1-yl-5-ylidenedianiline hydrochloride Cl.C(=C/Nc1ccccc1)\C=C\C=N\c2ccccc2 Tox21_302102 -NCGC00254261-01 196698758 tox21-ror-cho-viability-p1 set1 4 5.4482673282 6.823358428 -0.323358428 6.5 4.9549173134 0.8485435618 0.0037552608 -0.0431679 0.23618039 -2.35279869 -1.21037065 -0.34034945 -0.38626382 -0.11340931 0.83892892 0.65674855 0.382514 0.37941901 5.6294668 8.18437936 4.20711792 0.4335012 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-43-6 6597 144210737 AC Ac Dichloroacetic acid ClC(Cl)C(=O)O Tox21_300419 -NCGC00159417-06 196698344 tox21-ror-cho-viability-p1 set1 -2.1 44.2913331849 -97.7156270196 -1.027373422 -98.7430004416 2.3331733767 0.99003736 8E-10 -5.00143012 -2.14907599 -2.63462883 -1.10640633 -1.65137238 -3.21921951 1.30859779 0.33712207 0.47721425 -3.40546676 0.7849716 0.31438255 -8.17372039 -48.61977944 -83.96513643 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00091499-05 196698356 tox21-ror-cho-viability-p1 set1 4 1.85746238 7.71084163 12.37648449 6.09857993 2.91006244 3.86151408 4.96114142 2.10243143 1.45617588 2.49840332 0.91851378 6.47529279 0.90680215 4.14181543 1.0587099 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00254140-01 196698751 tox21-ror-cho-viability-p1 set1 4 0.41406953 -0.66198925 0.45641435 -2.65050658 0.3105844 -0.20757278 -0.38938215 -0.37918969 3.28650424 0.35396582 2.86710983 0.77997853 7.02477788 2.96454169 2.52337734 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-48-7 335 144210341 A A o-Cresol Cc1ccccc1O Tox21_300021 -NCGC00091011-05 196698760 tox21-ror-cho-viability-p1 set1 4 76.9588215421 11.109410448 -0.109410448 11 1.0999999999 0.3257731317 0.3458896282 -1.44724015 3.14155789 0.61485122 -8.00784204 0.47234301 2.40025462 -0.3562864 1.36508094 -2.97634161 1.01939449 2.12039115 2.97047838 0.12237137 1.77649355 7.85819897 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00254153-01 196698765 tox21-ror-cho-viability-p1 set1 -2.2 48.6907611911 -48.8577486298 -3.1254320469 -51.9831806767 2.3331733767 0.9259015384 0.0000694328 -1.41284154 -4.17780784 -5.38512921 -4.81054832 -4.14757878 -0.8881133 0.17776235 1.11554723 -1.49460957 -6.30874959 -9.6170605 -4.23775633 -7.16442343 -16.07750296 -40.13877324 9.762E-10 2.183E-9 4.881E-9 1.091E-8 2.441E-8 5.457E-8 1.2199999999E-7 2.7289999999E-7 6.101E-7 0.000001364 0.000003051 0.000006822 0.00001525 0.00003411 0.000076269999999 NOCAS_47387 60196411 144210578 A A SAR102779 O=C2CO[C@](CN2c1ccccc1)(CCN3CCC(NC(C)=O)(CC3)c4cccc(F)c4)c5ccc(Cl)c(Cl)c5.O=C(O)CCC(=O)O Tox21_300258 -NCGC00164168-02 196698770 tox21-ror-cho-viability-p1 set1 4 1.06803239 3.92913215 -1.03273104 0.20638414 0.00462146 -3.58860595 2.73014949 0.49021641 0.84613448 0.74650434 -0.7831231 2.40922666 1.03280047 -0.4822882 -3.19055238 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00254281-01 196698772 tox21-ror-cho-viability-p1 set1 4 0.55651716 2.87144634 0.29281739 0.14204557 0.06521915 0.77346964 3.40005331 -0.34718654 -0.42399114 -0.54477403 -0.81685389 0.16694199 1.76312969 0.39964257 5.68670085 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.00001889 0.00004225 0.00009447 95-87-4 7267 144210644 A A 2,5-Dimethylphenol Cc1cc(O)c(C)cc1 Tox21_300326 -NCGC00254617-01 196699165 tox21-ror-cho-viability-p1 set1 4 -1.13045488 -0.45820373 0.53125944 -1.58743928 0.53159809 -1.26153983 -1.84288881 -2.08688607 -0.76289735 0.50954891 -1.10338815 -0.02623805 1.61934313 -1.29688349 -0.17012626 1.137E-9 2.5419999999E-9 5.6829999999E-9 1.271E-8 2.842E-8 6.354E-8 1.421E-7 3.177E-7 7.104E-7 0.000001589 0.000003552 0.000007943 0.00001776 0.00003971 0.000088799999999 6192-52-5 521998 144211027 A A 4-Methylbenzenesulfonic acid hydrate O.Cc1ccc(cc1)S(O)(=O)=O Tox21_300710 -NCGC00254591-01 196699172 tox21-ror-cho-viability-p1 set1 -2.2 21.6899429044 -64.0496257532 1.061134667 -62.9884910862 1.5385888099 0.99068253 5E-10 -1.27174548 2.8198015 2.77512919 1.60295777 0.23841776 1.20347351 1.53816629 -1.26081883 0.57060095 0.1524249 1.0400151 -13.78835138 -25.00810449 -46.33664016 -56.56885183 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 128-95-0 31420 144211000 A A 1,4-Diaminoanthraquinone O=C2c1ccccc1C(=O)c3c2c(N)ccc3N Tox21_300683 -NCGC00254412-01 196699592 tox21-ror-cho-viability-p1 set1 4 1.18974172 1.63182083 2.26318337 -3.85277157 0.69455763 3.06005704 -0.24026985 -7.4730037 5.87489995 0.17643317 3.46923714 0.28561841 3.17695091 0.80862947 6.10959222 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86386-73-4 3365 144210898 A A Fluconazole OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F Tox21_300581 -NCGC00091009-05 196718413 tox21-ror-cho-viability-p1 set2 4 30.876334249 -9.1168001119 -1.5 -10.6168001119 1.8851180601 0.684777638 0.0464591064 -3.56657978 -3.84347593 1.13495539 -0.56755076 -1.37625271 -4.23989431 -0.99708162 -2.23143225 -0.3523183 -2.58566201 -2.08171742 0.12835857 -4.99025699 -6.53802162 -9.68066676 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.00003772 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00256646-01 196718837 tox21-ror-cho-viability-p1 set2 4 66.6412255095 13.7554933879 -2.7554933879 11 4.9549173134 0.518052081 0.1637811327 -3.48442646 -2.87112651 -1.76970945 -2.27497038 -8.54624449 -5.34594927 0.20947608 1.03815204 -0.08530041 -7.4203655 -1.05297149 -1.35748846 -0.20539401 -1.73011766 8.46241721 1.152E-9 2.576E-9 5.759E-9 1.288E-8 2.8799999999E-8 6.439E-8 1.44E-7 3.22E-7 7.199E-7 0.00000161 0.0000036 0.0000080489999999 0.000018 0.00004024 0.00008999 475-31-0 10140 144212866 A A Glycocholic acid O=C(O)CNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C Tox21_302549 -NCGC00021202-03 196718007 tox21-ror-cho-viability-p1 set2 4 2.83624812 2.95076485 3.23412966 4.59788634 5.40914682 5.70585833 8.19170247 3.89980335 0.61271363 0.08733421 -0.36429093 -0.26262589 0.43795105 -0.11865569 1.74756104 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 76824-35-6 3325 170464877 I Famotidine N/C(N)=N/c1nc(CSCCC(\N)=N/S(N)(=O)=O)cs1 Tox21_110153_1 -NCGC00256752-01 196718406 tox21-ror-cho-viability-p1 set2 4 -0.07157004 0.14686046 -0.02594651 1.37525958 0.82896479 0.40221481 1.45985461 2.41008966 3.25986825 -4.4300777 -0.03799699 7.16077815 0.69951085 1.15204815 -0.3374918 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 459-80-3 9989 144213025 F Geranic acid O=C(O)C=C(C)CC\C=C(/C)C Tox21_302708 -NCGC00257223-01 196718841 tox21-ror-cho-viability-p1 set2 4 -1.44243593 0.86558501 -1.00766206 0.06724006 -0.98097502 -0.45015757 -2.76201346 -1.49489097 1.23431315 -2.66417595 -2.0735379 -1.55574972 -3.06388313 -1.55340686 1.15183657 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 3268-49-3 18635 144213474 F 3-(Methylthio)propanal O=CCCSC Tox21_303157 -NCGC00257255-01 196718846 tox21-ror-cho-viability-p1 set2 4 1.23547896 1.64600491 2.41095695 -0.6435877 -3.32611519 -3.89441143 2.47708551 -4.32309778 3.12558985 1.79889115 -3.2173385 -4.31098559 -4.23417117 2.60264572 -2.56731858 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2943-75-1 76262 144213951 F Triethoxyoctylsilane CCO[Si](OCC)(OCC)CCCCCCCC Tox21_303648 -NCGC00257137-01 196719273 tox21-ror-cho-viability-p1 set2 4 0.12448978 0.42869882 1.29081506 0.92368564 1.0144786 0.22399887 -0.20929705 5.26800261 0.46997475 0.60418678 3.59960704 1.500547 2.72508439 1.70354869 2.4652477 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-41-6 6809 144213636 A Phthalimide O=C1NC(=O)c2ccccc12 Tox21_303319 -NCGC00256613-01 196719275 tox21-ror-cho-viability-p1 set2 4 -2.84032556 -2.16275878 -2.00701255 -4.89179639 -0.49763426 -0.66485801 0 0.15754105 -3.49397232 -0.6765201 -0.40727626 0.22782376 -1.02922969 -0.57061111 3.77788327 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 108-89-4 7963 144213278 Fns 4-Methylpyridine Cc1ccncc1 Tox21_302961 -NCGC00257013-01 196719283 tox21-ror-cho-viability-p1 set2 4 24.3365162115 10.550902188 -12.4656977639 -1.9147955759 4.5044702849 0.4084329281 0.2822199931 -13.31999501 -16.63808147 -13.1069877 -10.77559118 -15.17060641 -3.24706648 -12.82023587 -12.98295488 -13.76206092 -14.05841086 -11.19145158 -10.63010929 -10.36185768 -2.84566298 -10.26000121 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-87-2 6991 144213532 Bc A 1,3-Dimethyl-4-nitrobenzene Cc1cc(C)ccc1[N+](=O)[O-] Tox21_303215 -NCGC00254798-01 196719686 tox21-ror-cho-viability-p1 set3 4 12.22409337 -7.45929196 1.43128531 -7.76655536 0.58839933 6.70951605 -7.83227214 15.70825624 5.58151153 -2.1139533 0.09051292 2.23445005 -5.01531404 -6.99887221 -8.52352895 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-40-5 5338 144211211 A A Sulfaquinoxaline Nc1ccc(cc1)S(=O)(=O)Nc2cnc3ccccc3n2 Tox21_300894 -NCGC00254783-01 196719696 tox21-ror-cho-viability-p1 set3 4 3.48387279 3.2804134 2.6242685 4.42355326 2.33894301 1.2446827 5.20395862 -1.97599096 3.73524899 3.28464373 -2.95015498 -3.47441113 5.14438806 -4.03343577 7.48310052 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123312-89-0 9576037 144211196 A A Pymetrozine CC=2CN(/N=C/c1cccnc1)C(=O)NN=2 Tox21_300879 -NCGC00255021-01 196719702 tox21-ror-cho-viability-p1 set3 4 0.0043277126 -18.613534884 16 -2.613534884 0.3 0.4876908072 0.1901438997 4.2401776 16.71959204 1.81742894 5.32841591 1.59983458 4.27277194 0.74097084 4.46960932 -1.35391432 -0.74504981 3.60186275 -2.23638038 -2.70928746 -0.14299701 -3.01127907 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-48-0 7655 144211439 A A 2-Phenylethyl 2-methylpropanoate CC(C)C(=O)OCCc1ccccc1 Tox21_301122 -NCGC00259306-01 196705573 tox21-ror-cho-viability-p1 set1 4 1.29151463 13.6352717 1.04128897 2.25806731 10.5517548 0.67706941 2.69371533 2.48945771 -8.34671831 11.63047054 1.6046682 0.95587117 0.91381154 1.21453924 0.90609944 1.162E-9 2.5969999999E-9 5.808E-9 1.299E-8 2.9039999999E-8 6.494E-8 1.4519999999E-7 3.247E-7 7.2599999999E-7 0.000001623 0.0000036299999999 0.000008117 0.000018149999999 0.00004059 0.00009075 110-42-9 8050 144208955 A Fc Methyl decanoate O=C(CCCCCCCCC)OC Tox21_201757 -NCGC00357245-01 196702962 tox21-ror-cho-viability-p1 set1 4 68.5896218971 12.432617704 0.567382296 13 4.9549173134 0.6118340634 0.0899070687 -0.04367506 -0.01561018 0.29290548 -0.58542841 0.77899913 0.25685319 -1.35992624 7.46123698 -2.02718142 1.1334309 -0.41634872 0.73701636 1.12581946 1.45233965 10.75622429 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-74-7 7952 251919848 A Hexahydro-1,3,5-trimethyl-1,3,5-triazine CN1CN(C)CN(C)C1 Tox21_304038 -NCGC00254078-01 196720390 tox21-ror-cho-viability-p1 set3 4 3.92287814 0.42097785 0.80318957 1.07010826 3.78073504 -1.29255698 -0.38939876 -1.50285081 2.35181394 4.18976022 2.15294823 -0.15546345 1.92710659 1.86041307 2.01506692 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-06-2 6914 144210509 A A 2,4,6-Trichlorophenol Clc1cc(Cl)cc(Cl)c1O Tox21_300189 -NCGC00254671-01 196720391 tox21-ror-cho-viability-p1 set3 4 0.0008634922 18.735094084 -17.735094084 1 0.4 0.3283001347 0.3414244669 -11.0944917 1.91783123 -14.77924507 0.59879065 -1.34412453 1.36351348 -3.04836468 -3.06590043 -2.03460809 -0.84105904 3.0744768 2.16961265 -0.81421427 0.13729015 2.07211052 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 75-60-5 2513 144211084 Ac Dimethylarsinic acid C[As](C)(O)=O Tox21_300767 -NCGC00260084-01 196703389 tox21-ror-cho-viability-p1 set1 4 0.01160391 -1.19258984 3.75020762 -1.21607698 -9.74644615 -0.55319592 -1.09067564 4.16515642 -0.25450385 -0.26283284 -3.12107764 -0.74287228 -0.06822826 -2.15345379 -0.53407789 5.908E-10 1.3209999999E-9 2.954E-9 6.6049999999E-9 1.477E-8 3.303E-8 7.3849999999E-8 1.651E-7 3.693E-7 8.257E-7 0.000001846 0.000004128 0.000009231 0.00002064 0.000046159999999 361-09-1 23668194 144209733 A A Sodium cholate [Na+].[O-]C(=O)CC[C@@H](C)[C@H]2CC[C@H]1[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]12C Tox21_202535 -NCGC00357051-01 196702972 tox21-ror-cho-viability-p1 set1 -2.4 12.1971512362 -25.624041156 -4.007928412 -29.631969568 1.0999999999 0.7729507114 0.0133603431 -0.00660701 -5.79380988 -14.12551731 -2.59197113 -11.23559315 -2.10755608 -0.46934412 -1.48758546 -2.38190365 -9.82570097 -7.77398368 -12.66696638 -23.91376201 -21.20393138 -27.60997464 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 83-56-7 6749 251919955 I 1,5-Dihydroxynaphthalene Oc2cccc1c2cccc1O Tox21_303746 -NCGC00357030-01 196702983 tox21-ror-cho-viability-p1 set1 4 1.04513332 1.34501676 0.85785445 2.87644263 0.75253673 -0.27073334 -6.01690231 0.97218731 -2.20936847 0.72842512 -8.36320442 -4.52417215 -5.45289143 4.26705774 -4.70782719 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2235-43-0 16697 251919702 Fns [Nitrilotris(methylene)]tris-phosphonic acid pentasodium salt [Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)(O)CN(CP(=O)([O-])[O-])CP([O-])([O-])=O Tox21_303716 -NCGC00260653-01 196703398 tox21-ror-cho-viability-p1 set1 4 3.07616667 3.57588804 1.6307785 3.01159717 0.38351274 1.5276262 -0.58295411 4.19698993 4.91828803 2.35819053 2.49703221 0.69996136 2.59579384 1.16307283 -1.13624899 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49549 144210306 M M NTP Mix94 ER AR1 18-EQP Tox21_203108 -NCGC00260049-01 196703399 tox21-ror-cho-viability-p1 set1 4 -0.54209003 1.10384585 -4.53123455 1.27704049 -2.8577438 2.76207163 -9.98825605 -3.66479424 -1.4272958 -3.07435844 1.67083187 -5.00841925 0.21257647 -5.63743191 -7.21215706 1.188E-9 2.6549999999E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 15663-27-1 2767 144209698 Cisplatin Cl[Pt](Cl)(N)N Tox21_202500 -NCGC00357007-01 196703794 tox21-ror-cho-viability-p1 set1 -1.1 3.6610842836 -91.4550729359 -1.385560159 -92.8406330949 3.9899729863 0.9913013521 4E-10 1.00755662 -0.02385743 -1.39841021 -1.12633424 -0.01905965 -5.66287015 -0.0207277 -0.75745118 6.20027914 -8.36225483 -2.37905347 -11.47557126 -68.78646144 -90.19286832 -92.65532245 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 2597-93-5 17437 251919798 Ethyl(4,5,6,7,8,8-hexachloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)mercury ClC2=C(Cl)C3(Cl)C1C(C(=O)N([Hg]CC)C1=O)C2(Cl)C3(Cl)Cl Tox21_303854 -NCGC00356972-01 196703795 tox21-ror-cho-viability-p1 set1 4 0.15024168 3.81753474 4.44156045 2.39871299 1.16935296 2.19171267 0.09359037 -0.86559088 2.10600453 1.58650667 3.52099455 -2.25479721 3.3036459 1.97993523 2.64213325 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-98-8 880 251919647 F Methyl glyoxal O=CC(C)=O Tox21_303931 -NCGC00260544-01 196703807 tox21-ror-cho-viability-p1 set1 -3 26.6844087361 -41.816724588 4 -37.816724588 4.5044702849 0.9361523563 0.0000315896 5.83039404 6.1029838 -0.23990611 3.69610284 3.00665857 1.84870423 4.08895528 7.70079029 1.4182641 8.48624428 7.34844339 4.16099029 -0.31433717 -5.55126129 -34.84727049 5.9139999999E-10 1.322E-9 2.957E-9 6.612E-9 1.4779999999E-8 3.306E-8 7.392E-8 1.653E-7 3.696E-7 8.2649999999E-7 0.000001848 0.000004133 0.0000092409999999 0.00002066 0.0000462 518-82-1 3220 144210197 A A Emodin Cc3cc2C(=O)c1cc(O)cc(O)c1C(=O)c2c(O)c3 Tox21_202999 -NCGC00091380-04 196703810 tox21-ror-cho-viability-p1 set1 4 3.56850403 0.18344316 2.33168637 2.90232033 4.91683802 -2.08490753 3.17260879 4.21448705 2.12226585 0.47929365 -1.89850499 0.67670415 -0.17391659 0.59777828 3.73807182 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00259473-01 196703813 tox21-ror-cho-viability-p1 set1 4 19.2525733245 -10.211545136 -1 -11.211545136 3.0654483358 0.4493014096 0.2254757311 -3.80311755 -4.14739627 -0.10675358 0.52717268 4.81801982 -10.68699558 0.8331214 -5.85698007 2.33471488 0.36990752 1.61436534 0.78190931 -7.47188477 -8.00877315 -13.09295428 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.2869999999E-7 7.351E-7 0.0000016439999999 0.0000036749999999 0.000008218 0.000018379999999 0.00004109 0.00009188 67-20-9 4509 144209122 A A Nitrofurantoin O=[N+]([O-])c2ccc(/C=N/N1CC(=O)NC1=O)o2 Tox21_201924 -NCGC00356949-01 196703676 tox21-ror-cho-viability-p1 set1 4 12.1971512362 -10.6763233199 -0.5 -11.1763233199 1.9673362061 0.5699214586 0.1199867776 -4.52698221 3.60520655 -0.09002502 0.98168017 -8.20398718 0.26973619 0.25072038 0.5510898 -2.90479584 0.42878564 0.13476944 -0.04107856 -12.6469361 -7.80031799 -11.42953339 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-44-4 7091 251919777 A 2,3-Dihydroxynaphthalene Oc1cc2ccccc2cc1O Tox21_303850 -NCGC00357220-01 196704082 tox21-ror-cho-viability-p1 set1 4 68.5896218971 10.646441832 0.353558168 11 3.6272481694 0.4644019874 0.2140282492 -3.05694913 -0.29402247 5.29933827 -3.87203486 -0.08429205 2.75412186 0.11535458 1.47867226 -0.20055217 -0.45743428 2.62320596 0.5795547 0.79894851 1.76984488 8.29725289 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23696-85-7 5366074 251919759 Fns Damascenone CC=1C=CCC(C)(C)C=1C(=O)\C=C\C Tox21_304001 -NCGC00260060-01 196703662 tox21-ror-cho-viability-p1 set1 4 21.5797018461 -25.8316807599 -0.5 -26.3316807599 0.2 0.5086399433 0.1711645403 -0.6383016 -9.12761277 0.55111648 -2.59138615 -8.23728514 -13.4573891 -6.88060772 -8.67052822 -11.79498123 -8.34325536 -9.92898801 -11.78178449 -7.50384145 -12.89049941 -20.6930673 1.175E-9 2.628E-9 5.877E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.346E-7 0.000001643 0.000003673 0.0000082129999999 0.000018359999999 0.00004107 0.000091819999999 1239-45-8 14710 144209709 A C Ethidium bromide [Br-].CC[n+]3c4cc(N)ccc4c1ccc(N)cc1c3c2ccccc2 Tox21_202511 -NCGC00163930-04 196703681 tox21-ror-cho-viability-p1 set1 4 3.05221213 3.56157707 0.33031054 -14.80622141 -0.10986559 3.21658265 -0.96982648 3.7511003 2.17708308 1.76788429 0.88971447 0.37109419 1.16057429 2.52964877 -1.67589012 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00260654-01 196704089 tox21-ror-cho-viability-p1 set1 4 5.26227414 1.69324059 -0.300242 -3.36005612 3.53908175 7.31345447 7.55473492 1.1755837 8.09596522 0.90615189 12.0192721 10.16850572 6.48710939 3.01668406 7.01235376 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49550 144210307 M M NTP Mix95 ER AR1 18-EQP Tox21_203109 -NCGC00260629-01 196704093 tox21-ror-cho-viability-p1 set1 4 -0.15582682 2.66557791 4.05104226 2.44446795 3.59595328 -13.5830609 0.22301455 2.298573 3.68886822 0.70320479 1.89448666 1.49728945 4.02745768 2.03305138 4.9758431 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49525 144210282 M M NTP Mix105 ER1 10-EQC Tox21_203084 -NCGC00260451-01 196704094 tox21-ror-cho-viability-p1 set1 4 -0.06731038 -8.44324796 -8.5527646 2.46939437 -4.16206687 -2.82512213 -9.82420436 -10.11097741 -2.45159369 -3.70132374 -10.23937427 1.76810452 -2.94401245 -5.03967867 -2.77469825 1.204E-9 2.692E-9 6.02E-9 1.346E-8 3.01E-8 6.73E-8 1.5049999999E-7 3.365E-7 7.5249999999E-7 0.000001683 0.0000037619999999 0.000008413 0.000018809999999 0.00004206 0.00009406 96568-04-6 2733708 144210103 F F Ethyl 4-(2,6-dichloro-5-fluoropyridin-3-yl)-3-oxobutanoate Fc1cc(C(=O)CC(=O)OCC)c(Cl)nc1Cl Tox21_202905 -NCGC00260314-01 196704095 tox21-ror-cho-viability-p1 set1 4 -1.00350639 1.55054693 -2.32579413 1.20624949 1.4488331 -0.08674177 0.16286386 0.49735638 -1.7274028 1.18483923 -3.94097778 6.26687575 1.21033961 1.51667655 0.20086663 7.509E-11 1.6789999999E-10 3.754E-10 8.3949999999E-10 1.877E-9 4.198E-9 9.386E-9 2.099E-8 4.693E-8 1.0489999999E-7 2.3469999999E-7 5.247E-7 0.000001173 0.000002624 0.0000058659999999 86508-42-1 120203 144209965 Perfluoro compounds, C5-18 FC(F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_202767 -NCGC00091023-06 196704507 tox21-ror-cho-viability-p1 set1 -2.2 26.6032120037 -71.2216329217 -0.192724387 -71.4143573087 1.98874246 0.9828607586 1.94E-8 1.82851538 -3.14923188 -2.68756088 0.4151842 1.331421 0.09871162 -2.65839625 2.82545803 1.26843634 -2.57207803 2.33353445 -2.91207382 -8.52617795 -26.60546687 -54.10178584 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 140-72-7 8816 170465500 D Cetylpyridinium bromide [Br-].CCCCCCCCCCCCCCCC[n+]1ccccc1 Tox21_111061_1 -NCGC00253568-01 196704510 tox21-ror-cho-viability-p1 set1 4 -0.5041808 -0.21903052 0.9184538 2.1958839 -2.64434447 0.16990579 1.87931596 -0.54249546 -0.23583041 1.941728 -1.73323168 -0.33839207 -2.08079251 0.62727217 -0.75792065 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 557-09-5 11180 170466899 Z Ac Zinc octanoate [Zn+2].CCCCCCCC([O-])=O.[O-]C(=O)CCCCCCC Tox21_113995 -NCGC00015704-09 196704516 tox21-ror-cho-viability-p1 set1 4 -5.3823212 -6.10789816 -2.90142264 -6.81995239 -1.98529192 -6.10663097 -0.57640196 -0.05138106 -3.09611737 -5.75088206 -7.07158174 -4.82385874 0.09528693 -2.93974807 2.32938202 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 135-23-9 8667 170465531 A Methapyrilene hydrochloride Cl.CN(C)CCN(Cc1cccs1)c2ccccn2 Tox21_111256_1 -NCGC00253672-01 196704519 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -13.732731172 1 -12.732731172 4.9549173134 0.8000538925 0.0081370523 1.59026294 1.83643591 -0.78705975 -0.05096707 -1.05321069 1.75233693 -0.95719573 3.55530566 0.94131489 0.3267054 1.88426529 -0.34789919 2.52035879 1.98219171 -10.61060931 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 42399-49-5 2733673 170466764 A A (2S,3s)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5h)-one COc1ccc(cc1)[C@@H]2Sc3ccccc3NC(=O)[C@@H]2O Tox21_113796 -NCGC00186653-01 196704912 tox21-ror-cho-viability-p1 set1 4 -4.46437843 -6.72099641 -7.08583437 -6.80297655 -3.31807621 0.57602639 -5.36753798 0.34917615 -4.48553604 -6.50063415 -6.79955047 0.9779843 0.25819654 -8.50785644 -18.17972353 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 440-17-5 66064 170465265 A Fluoperazine dihydrochloride Cl.Cl.FC(F)(F)c2cc3N(CCCN1CCN(C)CC1)c4ccccc4Sc3cc2 Tox21_110017_1 -NCGC00090704-03 196702262 tox21-ror-cho-viability-p1 set1 4 -3.69113157 -0.52529139 -3.17166179 1.03866584 -3.96513835 0.53208701 -10.56936602 0.33918151 0.24469206 -6.96670574 0.12244096 0.17785295 -0.59051898 -9.66069029 7.48958594 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00258007-01 196701844 tox21-ror-cho-viability-p1 set1 4 8.60461065 0.98073798 1.72767264 1.8864634 0.79949995 2.42202816 4.91748274 4.48662717 5.97445517 0.78772979 0.48297452 1.08063153 0.99885433 1.38783546 4.67325527 1.156E-9 2.586E-9 5.7819999999E-9 1.293E-8 2.891E-8 6.465E-8 1.446E-7 3.232E-7 7.228E-7 0.000001616 0.0000036139999999 0.000008081 0.000018069999999 0.000040409999999 0.000090349999999 1185-55-3 14456 144207651 D Trimethoxymethylsilane C[Si](OC)(OC)OC Tox21_200453 -NCGC00258106-01 196701847 tox21-ror-cho-viability-p1 set1 4 1.67404085 -0.92552336 -0.35867517 2.09322807 1.62433159 1.50078149 3.62642492 -0.89187567 -0.08006502 2.56595072 0.5584333 0.54181676 3.17889588 2.70894384 0.20427038 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.00009231 321746-49-0 16211135 144207750 A A Triethylsulfonium bis(trifluoromethanesulfonyl)imide FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.CC[S+](CC)CC Tox21_200552 -NCGC00258236-01 196701855 tox21-ror-cho-viability-p1 set1 4 61.25491928 -31.576265832 -4 -35.576265832 0.7999999999 0.5161279789 0.1640393789 -6.62124937 1.23467944 -9.77977213 -1.49973474 -11.83198944 -2.88156878 -3.06401171 -9.69852965 7.19808975 -9.94127068 -11.79448691 -8.59923019 -12.75302456 -11.7985305 -26.31355486 1.182E-9 2.6429999999E-9 5.9109999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.304E-7 7.3889999999E-7 0.0000016519999999 0.0000036939999999 0.000008261 0.000018469999999 0.000041299999999 0.000092359999999 87-29-6 6881 144207880 A A Cinnamyl anthranilate Nc2ccccc2C(=O)OCC=Cc1ccccc1 Tox21_200682 -NCGC00091086-02 196702271 tox21-ror-cho-viability-p1 set1 4 3.8570778872 4.9855007879 -1.4855007879 3.5 3.9294729863 0.4067843065 0.267887075 2.53167802 -4.53932884 1.0451246 2.07057275 -2.75760455 0.12511987 -5.40458399 -4.84035082 -3.42887595 -0.39622725 0.03628181 6.04412839 1.32314694 1.47243625 4.40688938 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00258492-01 196702274 tox21-ror-cho-viability-p1 set1 4 -15.19354768 -7.16166336 -7.50359712 -4.23418972 -12.3106443 -13.77016591 -12.19966298 -13.28901776 -9.18629954 -17.97564826 -10.03591289 -14.24957531 -20.49585378 -12.61529431 -7.70180585 1.2319999999E-9 2.755E-9 6.1599999999E-9 1.3769999999E-8 3.08E-8 6.887E-8 1.54E-7 3.444E-7 7.6999999999E-7 0.000001722 0.0000038499999999 0.000008609 0.00001925 0.000043039999999 0.00009625 105-34-0 7747 144208136 A Ac Methyl cyanoacetate N#CCC(=O)OC Tox21_200938 -NCGC00258591-01 196702276 tox21-ror-cho-viability-p1 set1 4 2.268219 1.45466478 0.04581954 0.38785966 0.83205066 4.59730699 -0.03863188 3.65639368 -0.43493667 8.18787082 2.29485554 -3.71362523 1.55892333 0.96746994 0.02955403 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.9279999999E-8 6.5479999999E-8 1.464E-7 3.274E-7 7.3209999999E-7 0.000001637 0.00000366 0.000008185 0.0000183 0.000040929999999 0.00009151 622-20-8 69317 144208236 A A 1,2-Bis(phenylthio)ethane C(CSc1ccccc1)Sc2ccccc2 Tox21_201038 -NCGC00258697-01 196702278 tox21-ror-cho-viability-p1 set1 4 7.7585350921 7.1352430159 -2.6352430159 4.5 2.5884283767 0.4631744073 0.2133118298 -7.38455459 -0.32344547 -5.06386165 -4.49011495 1.46006619 0.35742259 1.06450784 -4.12502016 0.57517927 -8.02936918 -0.38338376 0.81314887 4.06354877 2.53953891 6.2550789 1.188E-9 2.657E-9 5.941E-9 1.3279999999E-8 2.9699999999E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016609999999 0.000003713 0.000008303 0.00001856 0.000041509999999 0.00009282 4861-85-2 62553 144208343 A A Isopropyl phenylacetate CC(C)OC(=O)Cc1ccccc1 Tox21_201145 -NCGC00257980-01 196702689 tox21-ror-cho-viability-p1 set1 4 0.67908107 1.62659253 2.12580663 7.49869565 -0.12989066 2.58997358 2.9160738 6.29471408 1.75793245 0.0889494 0.58665496 -0.74624106 3.28276676 2.3737052 0.56538723 1.198E-9 2.6779999999E-9 5.988E-9 1.339E-8 2.994E-8 6.6949999999E-8 1.497E-7 3.3479999999E-7 7.485E-7 0.0000016739999999 0.0000037429999999 0.0000083689999999 0.00001871 0.00004184 0.000093569999999 78-10-4 6517 144207624 D Tetraethyl orthosilicate CCO[Si](OCC)(OCC)OCC Tox21_200426 -NCGC00258501-01 196702691 tox21-ror-cho-viability-p1 set1 4 -6.470126 -7.05869873 -11.17925218 -6.88086612 -8.68157275 -4.19531232 -13.60867245 -10.17655616 0.11244233 -12.17097123 -10.89531448 -6.7464982 -11.56383477 -10.2801005 -5.93601313 1.2049999999E-9 2.694E-9 6.0229999999E-9 1.347E-8 3.012E-8 6.7339999999E-8 1.506E-7 3.367E-7 7.529E-7 0.0000016839999999 0.0000037639999999 0.000008418 0.00001882 0.00004209 0.000094109999999 3132-99-8 76583 144208146 A A 3-Bromobenzaldehyde O=Cc1cc(Br)ccc1 Tox21_200948 -NCGC00257885-01 196702692 tox21-ror-cho-viability-p1 set1 4 -4.5351282 -2.11085466 -3.64675183 -6.59823732 -6.30804736 -9.43006052 -6.07824282 -1.17179279 -2.24073019 -3.34029633 -7.45285621 -7.36276978 -8.9048183 -2.1228589 -1.38276999 1.162E-9 2.598E-9 5.808E-9 1.299E-8 2.9039999999E-8 6.494E-8 1.4519999999E-7 3.247E-7 7.2599999999E-7 0.000001623 0.0000036299999999 0.000008117 0.000018149999999 0.00004059 0.00009076 563-58-6 11245 144207529 FNS 1,1-Dichloropropene C\C=C(\Cl)Cl Tox21_200331 -NCGC00257842-01 196702694 tox21-ror-cho-viability-p1 set1 4 1.8383452941 3.667228864 -2.167228864 1.5 4.5044702849 0.3972279609 0.27834376 -0.16133619 -0.35771012 -0.13011605 -3.62473026 -0.17511265 -4.55923866 -5.97269072 -3.27382634 -0.90346518 -0.18946052 4.92356367 -0.17915331 -1.36445313 4.56887376 0.64253435 1.5089999999E-9 3.373E-9 7.543E-9 1.6869999999E-8 3.771E-8 8.433E-8 1.8859999999E-7 4.217E-7 9.4289999999E-7 0.000002108 0.000004714 0.000010539999999 0.00002357 0.000052709999999 0.0001179 120-66-1 8443 144207486 A A N-Acetyl-o-toluidine O=C(C)Nc1ccccc1C Tox21_200288 -NCGC00018181-12 196698149 tox21-ror-cho-viability-p1 set1 4 -0.09475562 1.18042051 0.1242343 1.07324845 -0.26628398 -2.7599629 0.12455448 -0.15838543 -2.46865287 -3.33819952 -4.41936424 -4.60643171 -2.61694841 2.17759871 0.16301737 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 389-08-2 4421 170465215 A Nalidixic acid O=C(O)C2=CN(CC)c1nc(C)ccc1C2=O Tox21_110835_1 -NCGC00090827-04 196727305 tox21-ror-cho-viability-p1 set3 4 -0.38891026 -2.79520381 -0.40883456 0.75492808 0.136542 -0.30209638 0.8883314 1.36566926 5.49795424 -0.23794145 -0.69906764 0.72012954 0.44571971 4.92717635 4.91863633 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00256683-01 196726468 tox21-ror-cho-viability-p1 set3 1.4 0.0015355304 22.19751862 -24.69751862 -2.5 4.9549173134 0.8020041022 0.0076860332 -20.16459885 -3.75856746 0 -2.15388877 -6.1904305 -7.10568019 -0.82452345 -2.03436374 -1.33234066 -1.1226593 0 -5.24844172 -0.91636294 -0.79231957 -4.70256187 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 104-53-0 7707 144212811 Z F 3-Phenylpropanal O=CCCc1ccccc1 Tox21_302494 -NCGC00256778-01 196726483 tox21-ror-cho-viability-p1 set3 4 -0.14684588 1.05865949 -0.12260578 0.01769785 0.27594467 0.08361142 0.91824439 -0.58119022 0.13076732 1.28783182 0.1815802 1.27839632 -0.15481912 -0.80008148 -0.98568219 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1193-81-3 137829 144212829 A A 1-Cyclohexylethanol CC(O)C1CCCCC1 Tox21_302512 -NCGC00257138-01 196726486 tox21-ror-cho-viability-p1 set3 4 0.0017228934 -13.8604912639 13 -0.8604912639 4.5044702849 0.7597344835 0.017019846 10.97554838 1.1335803 -1.76726257 -0.0626501 -0.80099696 -1.17280853 -3.63374272 -2.12084601 -2.35848947 -1.00782339 -2.62604388 1.38453844 3.58083267 -0.0662553 -0.61117455 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 156-43-4 9076 144213651 A B 4-Ethoxyaniline CCOc1ccc(N)cc1 Tox21_303334 -NCGC00257202-01 196727715 tox21-ror-cho-viability-p1 set3 4 1.06089559 3.95641987 1.9706392 0.57982522 1.0311921 2.81318275 -0.6506216 -4.1130132 -0.98278167 2.2192474 1.83094227 1.5263085 -4.17976017 0.17634898 -0.71292722 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 7481-89-2 24066 144213486 F A 2',3'-Dideoxycytidine NC1=NC(=O)N(C=C1)[C@H]2CC[C@@H](CO)O2 Tox21_303169 -NCGC00256630-01 196727717 tox21-ror-cho-viability-p1 set3 4 0.35870196 -1.69297923 -1.53713692 0.59383442 1.93277754 0.36038662 -3.76671561 -20.40533127 -5.4800892 -12.10607917 -1.68323594 -4.32326198 1.10491764 -4.18868481 2.91828207 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1117-55-1 14228 144212895 A Fns Hexyl octanoate O=C(CCCCCCC)OCCCCCC Tox21_302578 -NCGC00256826-01 196727721 tox21-ror-cho-viability-p1 set3 4 0.85368451 -4.72750134 -4.75793362 -6.18773834 -0.89014593 0.19512404 -4.71702548 -0.4798977 -0.33062616 -5.81040853 -4.15471034 0.82315771 -0.44114574 1.71735491 -0.20618715 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50816-18-7 39801 144212988 A Ac 9-Decenyl acetate CC(=O)OCCCCCCCCC=C Tox21_302671 -NCGC00257075-01 196727726 tox21-ror-cho-viability-p1 set3 4 61.130564862 -28.210903116 0.5 -27.710903116 1.3987170999 0.8983175763 0.0003530691 -1.09906391 0.29308536 0.67109093 0.29741535 0.58961377 -0.18031332 1.90960122 0.75026818 1.31706663 1.75401652 2.42238503 -5.01179748 -5.17054345 -6.60572214 -19.75908593 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 83-26-1 6732 144213634 A Fc Pindone CC(C)(C)C(=O)C2C(=O)c1ccccc1C2=O Tox21_303317 -NCGC00257362-01 196727728 tox21-ror-cho-viability-p1 set3 4 0.32592987 1.79913329 2.66787238 0.67826974 0.52673734 2.46662727 1.50791075 -1.07813844 3.28774741 0.38811925 -0.70583493 3.91259742 1.43394038 0.70983051 1.81597448 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-03-2 12301 144213696 A Ethoxyacetic acid O=C(O)COCC Tox21_303384 -NCGC00090987-03 196727730 tox21-ror-cho-viability-p1 set3 4 9.6885416101 -21.1176152239 3 -18.1176152239 0.3 0.8341823312 0.0035806856 2.85640298 0.57165808 1.62761827 2.31445389 -4.39687516 -0.01009321 -0.32762692 -5.17308786 -5.37764717 -2.93131816 -5.10572551 -7.60839321 -7.42847772 -8.20580724 -13.43134602 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00256845-01 196727740 tox21-ror-cho-viability-p1 set3 4 0.685896219 3.6330600479 -2.6330600479 1 4.9549173134 0.3193368212 0.3670332221 0.37452137 -0.76752522 -1.49874518 -1.56305386 2.15559613 -6.96331886 -6.75583581 -8.02755004 0.0007302 1.39975965 1.33732635 -0.75906901 2.34254949 1.58608205 -6.65628875 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55719-85-2 5357002 144213003 A F Phenethyl tiglate C\C=C(/C)C(=O)OCCc1ccccc1 Tox21_302686 -NCGC00255350-01 196728141 tox21-ror-cho-viability-p1 set3 4 3.8570778872 13.7094150681 1.2905849319 15 2.4063783767 0.5042316597 0.1911714663 -0.23754184 0.97683832 2.13962306 5.61474468 -3.50784589 6.42881104 4.4584813 -2.16799141 -1.63559229 7.36959992 1.32252716 25.98222201 10.98445562 10.08608086 -3.36533369 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2782-57-2 16726 144212712 Troclosene ClN1C(=O)NC(=O)N(Cl)C1=O Tox21_302395 -NCGC00256456-01 196707128 tox21-ror-cho-viability-p1 set1 4 -0.24282093 0.17234818 0.25512716 1.56127506 0.80221124 -0.09937858 1.09710871 4.77383278 2.55271731 1.32214699 -1.42438762 2.76484051 -0.53928917 -0.73509887 3.08155886 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-94-1 743 144213188 Ac A Pentanedioic acid O=C(O)CCCC(=O)O Tox21_302871 -NCGC00259284-01 196706307 tox21-ror-cho-viability-p1 set1 4 -0.70183779 7.59452723 3.83671449 4.4047407 1.53724022 -0.57669737 0.09965031 0.98198323 5.68203448 0 1.71580884 0.18514745 1.56014115 0.2082546 0.28397132 1.158E-9 2.589E-9 5.789E-9 1.2939999999E-8 2.894E-8 6.472E-8 1.447E-7 3.2359999999E-7 7.2359999999E-7 0.000001618 0.000003618 0.0000080899999999 0.000018089999999 0.00004045 0.00009045 110-19-0 8038 144208933 FNS Isobutyl acetate CC(=O)OCC(C)C Tox21_201735 -NCGC00163930-04 196706313 tox21-ror-cho-viability-p1 set1 4 0.13781679 3.39352216 2.35892009 8.03091739 5.16677001 1.69035755 2.05606054 -0.14691006 4.61515542 10.05531437 -6.05248915 1.42373188 0.22180933 2.55297729 4.64259235 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00259868-01 196706708 tox21-ror-cho-viability-p1 set1 4 0.068171322 -11.639002604 8 -3.639002604 1.4163171 0.5378379471 0.1455966185 10.46795397 8.18191328 6.26113119 3.34287183 8.70704375 0.60894997 1.10771319 -0.21830819 -14.28250217 1.48194506 1.70961951 -0.02032448 0.00053376 -4.65594719 -10.62355832 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003667 0.000008201 0.00001834 0.000041 0.00009169 3252-43-5 18617 144209517 A Ac Dibromoacetonitrile BrC(Br)C#N Tox21_202319 -NCGC00257251-01 196707132 tox21-ror-cho-viability-p1 set1 4 -5.42658097 0.58107896 2.72337653 -6.86379857 -8.21727038 -5.93166176 -0.47085052 0.63364821 0.36180539 -8.01372172 -0.79855118 0.45607014 -10.11824863 -9.68127983 0.34435433 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_48509 10287749 144213890 F A PharmaGSID_48509 O=C(C1CCNCC1)N2CCC(CC2)N(CCC)[C@H]3Cc4cc(OC)ccc4CC3 Tox21_303585 -NCGC00256689-01 196707133 tox21-ror-cho-viability-p1 set1 4 -11.71925944 -8.24382081 -1.23888805 -13.86675361 -12.13559627 -17.45147103 -13.61775642 -15.1703527 -15.04428164 -18.88261525 -15.29806093 -12.52894323 -10.91273393 -12.02099705 -5.28653383 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6359-82-6 23675339 144212913 Fns Fns Acid Yellow 11 [Na+].[O-]S(=O)(=O)c1ccc(cc1)N3N=C(C)C(\N=N/c2ccccc2)C3=O Tox21_302596 -NCGC00257289-01 196707135 tox21-ror-cho-viability-p1 set1 4 0.0086349218 -7.203272764 -8.473146768 -15.676419532 4.9549173134 0.6128247733 0.1025180403 -10.27961831 -7.06095564 -8.17665944 -16.57205264 -11.41792306 -13.45736217 -17.11114693 -16.98208044 -18.0536586 -14.34735892 -18.0176168 -13.20447935 -18.48034961 -12.86648428 -7.69367608 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-39-1 8469 144213682 B Bc Ethyl 3-phenylglycidate CCOC(=O)C2OC2c1ccccc1 Tox21_303367 -NCGC00091253-05 196707137 tox21-ror-cho-viability-p1 set1 4 0.0419601864 -8.033642336 -2 -10.033642336 3.1319983358 0.4546104775 0.2374868141 -4.23580593 -5.60166573 -0.38607545 0.79259897 -2.59370234 -10.51284411 -9.42348766 -11.86180607 -7.21996592 -11.87578641 -16.27803528 0.40122298 -9.58725587 -11.73425336 -5.43075169 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.000001608 0.000003595 0.000008038 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00257267-01 196707141 tox21-ror-cho-viability-p1 set1 4 -4.16732176 4.07334363 0.33249626 -3.0693772 -0.69369922 -7.71534894 -1.63322001 2.51771138 -0.89732762 -10.47606491 -0.66125551 -2.24941884 3.47866596 0.10421013 -2.10403986 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_48518 16036578 144213891 A A PharmaGSID_48518 O=S(=O)(/C=C/c1cccs1)NC(=O)c2ccc(F)cc2Br Tox21_303586 -NCGC00257358-01 196707953 tox21-ror-cho-viability-p1 set1 4 0.1933118196 8.202338308 -8.702338308 -0.5 3.1319983358 0.4570351043 0.2179550798 1.10276679 -12.10052843 -5.51656686 -17.25194859 -10.66105272 -6.69410494 -6.5967497 -0.90832703 -0.64130191 -6.68078856 -0.14587537 -0.36935126 0.97306355 4.62038365 -1.41400953 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 616-38-6 12021 144213895 Fns Dimethyl carbonate O=C(OC)OC Tox21_303590 -NCGC00256349-01 196707969 tox21-ror-cho-viability-p1 set1 4 0.47869316 2.29493946 -0.14521516 -0.10193629 -5.58722595 -1.18530165 -0.15846282 -9.27041668 0.28470788 -0.73579468 0.99282586 -5.41041684 -9.36404246 -1.25685204 6.27885294 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-13-1 7855 144213268 FNS Acrylonitrile C=CC#N Tox21_302951 -NCGC00257011-01 196707954 tox21-ror-cho-viability-p1 set1 4 -19.40042526 -6.79767648 -13.2820054 -17.11180463 -14.23806699 -20.06285138 -13.13104041 -13.88028622 -23.25809974 -14.4196122 -13.66597509 -23.22460706 -18.53657073 -10.16337005 -15.29729476 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 4553-62-2 20686 144213491 A A 2-Methylpentanedinitrile CC(CCC#N)C#N Tox21_303174 -NCGC00256386-01 196707955 tox21-ror-cho-viability-p1 set1 4 -14.765385 -13.43110037 -13.86546942 -17.11117208 -5.61940187 -14.7886992 -11.75937829 -13.23668071 -19.16957333 -14.90415803 -14.55158977 -14.97354414 -15.68757555 -18.83972732 -14.57042395 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 82-28-0 6702 144213281 A A 1-Amino-2-methylanthraquinone O=C3c1ccccc1C(=O)c2c3ccc(C)c2N Tox21_302964 -NCGC00256713-01 196706999 tox21-ror-cho-viability-p1 set1 4 7.6958821542 8.958275476 -12.8819251199 -3.9236496439 1.4641 0.4414694585 0.233196834 -10.85852035 -7.79251613 -10.09766437 -12.64326892 -14.9518447 -10.03141123 -10.03942737 -19.4849376 -17.81919369 -13.12869773 -11.43133143 -5.54437939 -4.88244107 -9.84400709 -1.60304137 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7335-26-4 81784 144212997 A A Ethyl 2-methoxybenzoate COc1ccccc1C(=O)OCC Tox21_302680 -NCGC00260001-01 196706170 tox21-ror-cho-viability-p1 set1 4 3.55631529 -6.8086947 0.17648279 -0.33838379 0.78033771 -1.0322817 3.24298979 -3.0046924 -11.67246712 -0.07424677 2.18048388 0.58614457 -0.38928188 -0.0714967 8.24491636 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.0000036659999999 0.000008198 0.00001833 0.00004099 0.000091659999999 111-65-9 356 144209650 D Octane CCCCCCCC Tox21_202452 -NCGC00257367-01 196707014 tox21-ror-cho-viability-p1 set1 4 -5.6923408 2.69762002 -2.77518119 -5.52395391 -4.43611284 -1.39049101 0.6251486 -3.33325492 -3.01767674 -3.82127938 1.49821528 2.23455103 -2.24519151 -3.60660011 -1.27461821 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 486-66-8 5281708 144213952 A A Daidzein Oc1ccc(cc1)C3=COc2cc(O)ccc2C3=O Tox21_303650 -NCGC00256503-01 196707417 tox21-ror-cho-viability-p1 set1 4 0.46650697 -0.18321875 2.0886011 0.44040861 2.10803531 -52.92934812 1.32273521 3.31089711 5.73625578 2.26005348 -0.57156414 1.38536985 0.64144376 1.19974934 3.72898194 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-05-9 7274 144213261 Fns Allyl methacrylate C=C(C)C(=O)OCC=C Tox21_302944 -NCGC00256795-01 196707425 tox21-ror-cho-viability-p1 set1 4 5.3939504 0.02895347 2.38512153 5.59462625 1.99600612 5.928231 2.45912881 4.69162291 -0.92116099 0.66325525 -1.65763283 -0.49314397 1.37122214 1.63803341 10.69980854 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6290-17-1 95392 144212774 A A Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate O=C(OCC)CC1(C)OCC(C)O1 Tox21_302457 -NCGC00257414-01 196707825 tox21-ror-cho-viability-p1 set1 -2.2 53.7631897451 -68.7677135247 3.3096492239 -65.4580643008 2.8472712143 0.9676908645 7.392E-7 6.08212791 -0.16095708 3.87099707 4.27553309 0.10997297 4.94421489 1.85316289 10.42969408 0.6135648 1.77329743 0.62302271 4.2361978 -0.69105152 -17.29851543 -53.37732144 1.167E-9 2.609E-9 5.8339999999E-9 1.305E-8 2.917E-8 6.523E-8 1.459E-7 3.262E-7 7.2929999999E-7 0.000001631 0.0000036469999999 0.000008154 0.00001823 0.00004077 0.000091159999999 23386-52-9 23692768 144213699 A Dicyclohexyl sodium sulfosuccinate [Na+].O=C(OC1CCCCC1)C(CC(=O)OC2CCCCC2)S([O-])(=O)=O Tox21_303387 -NCGC00163953-03 196707828 tox21-ror-cho-viability-p1 set1 -3 64.8164987557 -57.3871471392 2.4264868244 -54.9606603148 3.2974983358 0.9564043606 0.000003958 1.72566274 1.33532008 2.5537969 1.10916788 1.97025734 2.38258575 7.66951143 2.26972763 8.31824812 -0.80248821 -0.16033272 0.94847375 -0.45043218 -8.41464388 -43.15201539 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.000019359999999 0.00004328 0.000096779999999 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00256558-01 196707829 tox21-ror-cho-viability-p1 set1 4 0.0195673272 4.3792947599 -1.8792947599 2.5 4.9549173134 0.3840973411 0.2903334028 -3.6494123 -0.70036724 0.05719376 -2.90073172 3.78683758 1.26578673 0.69321101 0.39110219 8.82612643 0.12802152 2.08094836 5.83435081 0.84087591 0.8050942 3.98373232 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.331E-7 7.447E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004163 0.00009309 123-07-9 31242 144213303 A A 4-Ethylphenol CCc1ccc(O)cc1 Tox21_302986 -NCGC00260208-01 196703279 tox21-ror-cho-viability-p1 set1 -2.1 33.9920544223 -95.2969933658 -3.0491568609 -98.3461502267 1.826479391 0.935922203 0.0000321078 2.99608273 3.301592 1.89030433 0.04690274 -0.58537602 -9.64832002 5.22076769 -1.85652536 -1.44778494 -15.61663333 -11.83139978 -18.39944817 -25.77894335 -53.6547302 -96.41779434 1.1689999999E-9 2.615E-9 5.8469999999E-9 1.3069999999E-8 2.9239999999E-8 6.537E-8 1.462E-7 3.269E-7 7.309E-7 0.0000016339999999 0.0000036539999999 0.0000081709999999 0.00001827 0.00004086 0.000091359999999 171058-21-2 2734229 144209858 A A 1-Methyl-3-tetradecylimidazolium chloride [Cl-].C[n+]1ccn(CCCCCCCCCCCCCC)c1 Tox21_202660 -NCGC00257696-01 196702867 tox21-ror-cho-viability-p1 set1 4 3.06196493 1.85580406 -0.45899352 8.0497505 0.07553441 -1.03439181 -1.10141241 5.36417109 1.50267331 -0.70595527 2.68965263 0.7783525 10.18673933 2.218201 3.49215566 1.1739999999E-9 2.625E-9 5.871E-9 1.3129999999E-8 2.9349999999E-8 6.564E-8 1.468E-7 3.282E-7 7.338E-7 0.000001641 0.000003669 0.000008204 0.00001835 0.00004102 0.00009173 85-44-9 6811 144207340 A A Phthalic anhydride O=C1OC(=O)c2ccccc12 Tox21_200142 -NCGC00258722-01 196702874 tox21-ror-cho-viability-p1 set1 4 3.37237516 0.69307515 1.42273937 3.59210343 3.3957838 3.09296461 2.74511657 0.76111585 8.83665745 1.37324417 -3.68313975 -5.20321026 -0.6546685 5.27966585 9.92369803 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.3289999999E-7 7.445E-7 0.000001665 0.0000037219999999 0.000008324 0.00001861 0.00004162 0.00009306 75-33-2 6364 144208368 D Isopropyl mercaptan CC(C)S Tox21_201170 -NCGC00258401-01 196702880 tox21-ror-cho-viability-p1 set1 4 4.69525285 2.21269477 2.37049812 4.97608814 -5.4415782 0.11634359 6.36200097 3.22649945 1.5162696 3.26742044 1.41445726 0.79581572 5.30084211 -3.34288166 -0.43584924 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.000001648 0.000003684 0.000008238 0.00001842 0.00004119 0.000092099999999 22071-15-4 3825 144208045 A A Ketoprofen CC(C(=O)O)c1cccc(c1)C(=O)c2ccccc2 Tox21_200847 -NCGC00259383-01 196703289 tox21-ror-cho-viability-p1 set1 4 78.1342569491 -11.2812096479 1 -10.2812096479 4.9549173134 0.603907654 0.0965486567 0.08663292 1.34372682 2.58180038 5.88052264 0.32172292 2.69080747 0.97780187 1.06883566 0.07207333 0.08218908 -1.75742892 0.92659006 1.00207521 0.91234067 -6.90100804 1.195E-9 2.671E-9 5.973E-9 1.336E-8 2.986E-8 6.678E-8 1.493E-7 3.3389999999E-7 7.466E-7 0.000001669 0.000003733 0.000008347 0.00001867 0.00004174 0.000093329999999 58-14-0 4993 144209032 A A Pyrimethamine CCc1nc(N)nc(N)c1c2ccc(Cl)cc2 Tox21_201834 -NCGC00255858-01 196700214 tox21-ror-cho-viability-p1 set1 4 54.4826732819 -20.501473708 0.5 -20.001473708 0.9999999999 0.8407711975 0.0029912413 3.70656722 -0.19528659 -0.03865652 1.25168186 0.93451677 -0.15926843 -0.50922002 -0.53035372 -0.56094759 0.91983304 0.75029077 -4.53471247 -5.72060548 -4.69725404 -15.00122809 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52756-22-6 40520 144211880 A A Flamprop-isopropyl Fc1ccc(cc1Cl)N(C(=O)c2ccccc2)C(C)C(=O)OC(C)C Tox21_301563 -NCGC00095088-05 196704363 tox21-ror-cho-viability-p1 set1 4 -1.51311492 -1.44965079 1.25958222 -0.40071994 -2.21522713 -1.06896469 -1.0451218 -3.0302497 -1.48419911 -3.52398842 -3.34465238 -2.66324613 -5.25656523 1.30923788 0.55061955 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 141-90-2 1269845 170466804 A Thiouracil O=C1C=CNC(=S)N1 Tox21_111418_1 -NCGC00183096-01 196704757 tox21-ror-cho-viability-p1 set1 4 -2.2803973 -2.99035699 -0.42203614 -0.04923938 -3.01721822 -0.79981852 1.95230198 -2.63792729 -0.39974267 0.14915549 -3.49080709 -0.44166612 -1.05926912 -0.95860433 3.7776217 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 147816-23-7 6918126 144206464 I I Cefcapene pivoxil hydrochloride Cl.Nc1scc(n1)\C(=C\CC)C(=O)N[C@@H]3C(=O)N2C(=C(COC(N)=O)CS[C@@H]23)C(=O)OCOC(=O)C(C)(C)C Tox21_112911 -NCGC00023193-06 196704762 tox21-ror-cho-viability-p1 set1 4 -3.33093107 0.47882369 1.64964563 0.04027848 0.26426862 2.28674708 0.47382631 5.88693629 2.0379086 0.36629708 3.00704998 2.85786021 1.49011064 0.61478626 2.3602427 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 76-25-5 6436 170464660 A Triamcinolone acetonide OCC(=O)[C@@]54OC(C)(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_110885_1 -NCGC00254247-01 196699806 tox21-ror-cho-viability-p1 set1 4 68.5896218971 12.3317289799 -0.3317289799 12 4.9549173134 0.4285651948 0.2462643976 -4.85977415 0.19645719 0.81380681 -2.13153938 -2.01798112 -1.7950105 8.79264835 0.94818978 0.07396046 0.84870036 -2.03828116 -0.07564366 -1.38827245 0.72316743 9.63812361 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 828-00-2 13232 144210732 A Bc Dimethoxane O=C(C)OC1CC(C)OC(C)O1 Tox21_300414 -NCGC00254397-01 196699810 tox21-ror-cho-viability-p1 set1 4 -1.47155799 3.35537996 -1.38750863 1.98626109 2.83593641 2.8650489 4.98371148 2.92449747 -0.37270941 1.16609687 -0.89201864 1.28547791 -0.21215017 2.5898147 1.66190269 8.553E-10 1.913E-9 4.276E-9 9.563E-9 2.138E-8 4.7809999999E-8 1.0689999999E-7 2.391E-7 5.3459999999E-7 0.000001195 0.000002673 0.000005977 0.000013359999999 0.00002988 0.000066819999999 1095-90-5 14184 144210950 A A Methadone hydrochloride Cl.CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2 Tox21_300633 -NCGC00255268-01 196700208 tox21-ror-cho-viability-p1 set1 4 43.2771256911 10.9459940279 -1.4459940279 9.5 3.1319983358 0.5175940771 0.1642897721 -6.62166169 -3.29806632 -3.15758 -1.4107833 -1.22185458 -0.59867194 -2.71362172 -0.6213448 5.95982665 -0.17361672 0.05156473 -1.26751263 -2.95780767 3.71746529 8.4980714 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7209-38-3 81629 144211724 F Ac 1,4-bis(3-Aminopropyl)piperazine NCCCN1CCN(CCCN)CC1 Tox21_301407 -NCGC00255172-01 196700623 tox21-ror-cho-viability-p1 set1 -2.2 34.3762428541 -37.186202184 -4.526662 -41.712864184 0.5 0.7799719484 0.0117817939 -3.43836505 -0.438885 -1.69485389 -10.58381982 -11.84378798 -4.90939392 -8.47339897 -7.61765232 -9.62322878 -16.61599196 -12.97265763 -8.47681988 -17.99257444 -24.91540713 -31.42738682 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 616-86-4 69229 144211925 A A 4-Ethoxy-2-nitroaniline CCOc1ccc(N)c(c1)[N+]([O-])=O Tox21_301608 -NCGC00163930-04 196700631 tox21-ror-cho-viability-p1 set1 4 -3.30074313 -1.23873566 0.06707292 -0.28962574 0.37327164 -11.91239186 -2.38826744 3.45113141 -3.20770189 4.79362262 -3.39051496 3.44967601 1.39132658 3.68460803 -2.7831162 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00256163-01 196700642 tox21-ror-cho-viability-p1 set1 4 27.3060203028 12.7850968719 -0.7850968719 12 4.9549173134 0.6165809468 0.0994655313 3.04481726 -0.65193315 -0.80234897 0.20422175 0.03961802 1.45960785 -1.16695777 -7.32091406 -0.40875248 -0.64501811 0.53335125 -5.2633417 1.05131622 11.38810277 1.59548073 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 659-70-1 12613 144211937 Ac Fns 3-Methylbutyl 3-methylbutanoate CC(C)CCOC(=O)CC(C)C Tox21_301620 -NCGC00255707-01 196701049 tox21-ror-cho-viability-p1 set1 -2.1 61.0684034629 -91.869320983 -1.6290168449 -93.4983378279 3.2474983358 0.9855139192 7.3E-9 -4.28792523 -1.13012445 -0.1894901 1.67021555 -2.86594954 -0.33521841 1.37317779 -5.19735383 -4.14654022 0.58437208 -0.20283235 -3.77817253 -6.69419569 -20.35554208 -74.6199529 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 1119-97-7 14250 144212384 A A Tetradonium bromide [Br-].C[N+](C)(C)CCCCCCCCCCCCCC Tox21_302067 -NCGC00260566-01 196724902 tox21-ror-cho-viability-p1 set3 4 0.0211316824 6.73700002 -5.23700002 1.5 4.5044702849 0.3986315591 0.2740132926 -7.1897899 -1.45273831 0.19083492 -12.28083335 -3.432012 0.1863646 1.98496763 5.29122074 -1.00238245 -6.24450764 0.98866577 2.44205601 4.77626886 1.25428056 3.37298952 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49462 144210219 M M NTP Mix74 CT1 62-EQP Tox21_203021 -NCGC00260606-01 196724914 tox21-ror-cho-viability-p1 set3 1.4 0.0026603212 21.3258560399 -17.8258560399 3.5 1.0999999999 0.8318972927 0.0037776979 -14.0215467 -12.02095928 -5.04918927 -3.05997282 0.369793 3.90462888 1.52986981 2.87559756 1.35589108 2.36617286 4.53869439 10.68005644 0.9805092 -0.52945271 6.53875333 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49502 144210259 M M NTP Mix9 AR1 8-EQC Tox21_203061 -NCGC00090780-04 196724508 tox21-ror-cho-viability-p1 set3 4 -5.39571648 -5.92079786 -6.87475545 -6.59361239 1.63313211 -5.11781876 -4.14302832 -0.70030516 -3.16647298 -0.1661339 -3.85904337 -2.54188894 1.33609932 -17.69865402 -4.45581285 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00260240-01 196724511 tox21-ror-cho-viability-p1 set3 4 -1.72326015 4.6060909 0.10928695 -3.17783074 3.37325288 -1.77634835 -0.31331812 0.8616617 4.13506111 1.03707638 -3.27072113 -2.4474228 -2.25982493 -2.6358637 1.52889896 1.182E-9 2.6429999999E-9 5.91E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.304E-7 7.387E-7 0.0000016519999999 0.0000036939999999 0.000008259 0.000018469999999 0.000041299999999 0.00009234 874-81-7 14007922 144209890 F 1-Butylpyridinium iodide [I-].CCCC[n+]1ccccc1 Tox21_202692 -NCGC00160546-02 196725321 tox21-ror-cho-viability-p1 set3 1.2 2.3710137656 30.840946428 1.159053572 32 1.0999999999 0.8556761116 0.0018851408 -0.46395206 -0.32611083 9.22977105 -3.20078869 6.70995716 2.4716738 -2.32240692 0 7.00753067 5.14073049 12.45792797 29.64505981 21.01391063 31.75003967 26.63141042 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 321-55-1 9454 170466328 A Haloxon O=P(OCCCl)(OCCCl)Oc1ccc2c(c1)OC(=O)C(Cl)=C2C Tox21_111889_1 -NCGC00024772-02 196725330 tox21-ror-cho-viability-p1 set3 4 0.004216325 12.629259068 -5.629259068 7 0.6999999999 0.3770126782 0.3105387869 -3.85771589 -2.22916795 0.26034888 4.28401216 3.73831447 -0.27343874 2.53881019 11.26736161 7.4143112 1.6477077 15.30825212 6.10709952 11.80381848 -2.10801203 -0.81893162 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16142-27-1 197942 170466138 Z 3-Morpholinosydnonimine hydrochloride [Cl-].Nc1c[n+](no1)N2CCOCC2 Tox21_113577_1 -NCGC00182549-02 196725332 tox21-ror-cho-viability-p1 set3 4 0.0149600855 8.123618412 -7.623618412 0.5 0.8999999999 0.6129219892 0.0887673803 -9.26968201 -3.37440179 -7.14271159 -6.85692402 -0.15118223 -5.13222385 -2.00978394 2.8813504 -2.28646784 -0.13386551 3.33912797 2.94807295 -0.1967311 -0.24402041 -1.86832455 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 599179-03-0 60196343 170466825 I Vicriviroc (SCH-417690) O=C(O)/C=C\C(=O)O.FC(F)(F)c1ccc(cc1)[C@@H](COC)N2CCN(C[C@H]2C)C3(C)CCN(CC3)C(=O)c4c(C)ncnc4C Tox21_113012_1 -NCGC00179351-03 196725342 tox21-ror-cho-viability-p1 set3 4 3.50673859 1.63742022 -1.58312099 6.12424796 11.18390108 15.58336067 3.34227289 13.50999186 1.62552084 9.25892051 13.50241138 11.24066592 20.65775413 3.78912773 3.3033497 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 73-49-4 6307 170465167 A Quinethazone NS(=O)(=O)c1cc2C(=O)NC(Nc2cc1Cl)CC Tox21_110366_1 -NCGC00015760-12 196725738 tox21-ror-cho-viability-p1 set3 4 0.0149600855 7.6494468361 0.3505531639 8 1.9673362061 0.4826931485 0.1947966092 -0.08198252 -0.07981717 0.68969912 3.49483762 1.58234509 8.61204183 9.336115 12.71586238 5.44050506 14.23824975 9.31484158 -0.12453903 7.09531968 8.31686167 4.99497113 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104-14-3 4581 170465959 Z Octopamine OC(CN)c1ccc(O)cc1 Tox21_110215_1 -NCGC00178241-04 196725742 tox21-ror-cho-viability-p1 set3 4 26.6032120037 -17.578548184 1.5 -16.078548184 2.3031167061 0.7162409119 0.0315164617 1.88030467 1.57341088 -1.35532791 -1.45715072 3.33972133 -1.61161411 -0.97342428 6.9332772 0.30414556 3.19592503 2.14599651 3.63116071 -1.61899774 -4.2292914 -12.56545682 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14096-51-6 170466890 F Dichloro(ethylenediamine)platinum(II) [Cl-][Pt]1([Cl-])NCCN1 Tox21_113466_1 -NCGC00016000-13 196725747 tox21-ror-cho-viability-p1 set3 -1.3 0.0221982508 -58.3856073608 0.0087089909 -58.3768983699 4.9549173134 0.8732342936 0.1211156667 0 -11.65877799 3.06168534 6.16080079 -52.85782622 -57.29031895 -60.17240627 -60.70325215 -42.76188217 -54.20388458 -39.22426641 5.92225517 -66.99942609 -68.64327137 -73.7521093 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00181356-02 196725754 tox21-ror-cho-viability-p1 set3 1.4 0.001333319 23.49950754 -17.99950754 5.5 0.8999999999 0.7476818032 0.0262247189 -13.33292295 -1.25356209 -3.3602488 1.32730762 -0.72603812 3.81035807 6.3424194 8.67952371 5.77801109 3.11357568 10.50989664 2.07135786 3.68139521 4.16937548 -0.32031306 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6577-41-9 168884 170465824 A Oxapium iodide [I-].C[N+]1(CCCCC1)CC2COC(O2)(C3CCCCC3)c4ccccc4 Tox21_112814_1 -NCGC00258096-01 196715429 tox21-ror-cho-viability-p1 set2 -2.4 55.3148178231 -32.955033052 2 -30.955033052 1.98874246 0.911735435 0.0001722335 1.79821013 3.60924671 0.93921788 2.22723588 1.92172521 4.7243538 1.61694445 3.41667181 3.88349383 3.01774028 1.46318645 -5.11577642 0.07813426 -8.73410019 -22.87919421 1.195E-9 2.672E-9 5.976E-9 1.336E-8 2.988E-8 6.6809999999E-8 1.494E-7 3.341E-7 7.47E-7 0.0000016699999999 0.000003735 0.000008352 0.00001867 0.000041759999999 0.00009337 13020-57-0 83050 144207740 A A 3-Hydroxybenzophenone O=C(c1cc(O)ccc1)c2ccccc2 Tox21_200542 -NCGC00258677-01 196715415 tox21-ror-cho-viability-p1 set2 4 0.81501676 0.58076812 2.57971938 0.63509861 2.79544105 0.49492685 1.11707568 3.79646668 0.69938706 1.38099388 0.38155958 0.71832317 0.47528339 0.44283711 -0.3766191 1.193E-9 2.6679999999E-9 5.9659999999E-9 1.3339999999E-8 2.9829999999E-8 6.671E-8 1.4919999999E-7 3.335E-7 7.458E-7 0.000001668 0.0000037289999999 0.0000083379999999 0.00001865 0.000041689999999 0.00009323 77-85-0 6502 144208323 A A 2-(Hydroxymethyl)-2-methyl-1,3-propanediol CC(CO)(CO)CO Tox21_201125 -NCGC00258166-01 196715420 tox21-ror-cho-viability-p1 set2 4 -1.92766945 -0.82771925 -1.35003154 0.26642459 0.87231341 -0.19160451 -0.86754006 -1.92301843 -1.12348556 -3.99735103 0.34855636 0.54405381 -3.34206835 0.81881235 0.75504912 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003707 0.0000082899999999 0.00001854 0.00004145 0.00009268 6220-15-1 2734172 144207810 A A 1-Hexylpyridinium chloride [Cl-].CCCCCC[n+]1ccccc1 Tox21_200612 -NCGC00258415-01 196715423 tox21-ror-cho-viability-p1 set2 4 3.55521759 0.22564774 -0.77494763 -0.05115318 -2.71929369 2.52611985 -2.41124901 -0.046556 -0.98509685 0.22911298 0.13866908 -0.50380128 -2.79140929 0.08928463 -0.97680678 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.481E-7 3.311E-7 7.4029999999E-7 0.000001655 0.000003701 0.0000082769999999 0.00001851 0.00004138 0.00009253 141-24-2 5354133 144208059 A A Methyl ricinoleate O=C(CCCCCCC/C=C\C[C@H](O)CCCCCC)OC Tox21_200861 -NCGC00018221-08 196715431 tox21-ror-cho-viability-p1 set2 4 3.58673439 1.1325211 -0.83644181 -0.22699223 2.16767157 3.62778535 -3.36932821 2.24634972 -0.24474058 -3.42792736 -1.33948154 0.03063915 -2.67123806 -1.2592092 -2.48959904 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00258427-01 196715437 tox21-ror-cho-viability-p1 set2 4 0.83050808 -0.24672211 -0.81503045 -1.28837938 -0.77429836 -0.03552806 0.28681681 3.01076723 2.98771652 -0.05171982 -0.81550682 0.18657966 -0.94887313 -0.35005486 -0.45271771 1.2319999999E-9 2.754E-9 6.158E-9 1.3769999999E-8 3.079E-8 6.885E-8 1.54E-7 3.443E-7 7.698E-7 0.000001721 0.000003849 0.000008606 0.00001924 0.00004303 0.00009622 121-44-8 8471 144208071 FNS Triethylamine CCN(CC)CC Tox21_200873 -NCGC00066947-05 196715438 tox21-ror-cho-viability-p1 set2 4 0.85817897 -3.6413919 -5.56956656 -8.44314951 -4.48651879 2.6311131 0.14002248 -2.16972144 -2.9175522 -1.28743664 -1.32504513 -1.27111876 1.0999575 2.22881994 -3.40208867 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00258043-01 196715439 tox21-ror-cho-viability-p1 set2 4 78.3696995331 -15.1179569 1 -14.1179569 4.9549173134 0.7873160674 0.0104715933 -0.47452899 1.67273016 4.12048793 2.29384412 0.29934215 2.04655954 0.83775844 1.41330349 3.18571925 0.09603316 -0.97088129 -1.40348911 1.01126715 2.21840378 -10.93163075 1.198E-9 2.679E-9 5.9899999999E-9 1.339E-8 2.995E-8 6.697E-8 1.4979999999E-7 3.3489999999E-7 7.488E-7 0.0000016739999999 0.000003744 0.000008371 0.000018719999999 0.000041859999999 0.00009359 20570-96-1 146540 144207687 D Benzylhydrazine dihydrochloride Cl.Cl.NNCc1ccccc1 Tox21_200489 -NCGC00090952-07 196715836 tox21-ror-cho-viability-p1 set2 4 -0.82068485 -0.08200918 -0.31055623 -3.45622902 -5.09915205 -6.11472197 1.00181059 0.65010379 0.80909053 3.09208234 -6.61336266 -6.16583843 -7.05797582 0.09273179 0.06203145 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00257880-01 196729278 tox21-ror-cho-viability-p1 set3 4 0.10837566 -10.8917855199 -0.5 -11.3917855199 3.0654483358 0.3768902353 0.3099248621 1.75179463 -1.5030409 -3.71356467 1.91002292 -2.25077698 -2.84847707 -5.74963654 -24.68091284 -25.7431546 -6.72714975 -4.30144818 -3.38685079 -12.06667752 -5.81157512 -5.0622787 1.177E-9 2.631E-9 5.884E-9 1.316E-8 2.942E-8 6.578E-8 1.471E-7 3.289E-7 7.354E-7 0.000001645 0.0000036769999999 0.000008223 0.00001839 0.00004111 0.00009193 538-74-9 10867 144207524 A A Benzyl sulfide C(SCc1ccccc1)c2ccccc2 Tox21_200326 -NCGC00255384-01 196728470 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -59.8094890184 -1.080598259 -60.8900872774 4.9549173134 0.7998296552 0.0079656173 0.34300441 -3.86953729 -1.58329559 -8.98953631 1.82178249 -0.8245559 -2.04928884 -11.33815061 -1.7757635 -3.86941246 -5.5439336 0.64230582 15.7228258 0.6477749 -50.08315679 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-93-2 23690438 144211642 Fns Proxan-sodium [Na+].CC(C)OC([S-])=S Tox21_301325 -NCGC00256243-01 196728871 tox21-ror-cho-viability-p1 set3 -2.4 68.5896218971 -40.6085565015 4 -36.6085565015 4.9549173134 0.7162353751 0.0311936176 2.74083977 -0.5006382 2.90585121 2.04537763 -1.60379447 6.77360475 11.06383637 0.34607035 18.68123703 3.78283884 0.56808794 -1.12984318 8.15028467 2.2244332 -28.93959572 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67786-14-5 23668542 144212216 Ac Acid Red 337 [Na+].FC(F)(F)c3ccccc3/N=N/c2c(N)ccc1cc(cc(O)c12)S([O-])(=O)=O Tox21_301899 -NCGC00015691-06 196704531 tox21-ror-cho-viability-p1 set1 4 -0.25707457 0.19232948 -3.73671586 0.43174134 2.25787433 0.42493888 0.55494865 -0.29238327 0.338626 2.82665847 0.95659263 1.64810354 2.78736534 0.1610609 0.08152377 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 156-57-0 9082 170466795 F Cysteamine hydrochloride Cl.NCCS Tox21_111245_1 -NCGC00357278-01 196704127 tox21-ror-cho-viability-p1 set1 4 30.6378586933 12.711339 0.288661 13 0.6 0.4740602199 0.2031535972 -1.56744361 0.37886224 -1.35336488 1.10147265 0.03925195 0.71409731 1.04697432 6.60773118 0.02650452 -4.3427825 8.65475911 0.93715831 7.45692096 6.20568176 9.39671997 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 116-17-6 8304 251919788 F Tripropan-2-yl phosphite CC(C)OP(OC(C)C)OC(C)C Tox21_304011 -NCGC00017323-08 196704522 tox21-ror-cho-viability-p1 set1 4 -4.07164247 1.59371675 2.25838545 1.37322069 -4.0402005 -0.0425209 -4.5457231 -2.14937455 -3.80892241 -0.99745368 1.49105841 -5.39099769 -1.67930597 -5.5924827 -7.12248309 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64-75-5 54704426 170464838 I Tetracycline hydrochloride Cl.NC(=O)C1=C(O)[C@@H](N(C)C)[C@@H]2C[C@H]4C(=C(O)[C@]2(O)C1=O)C(=O)c3c(O)cccc3[C@@]4(C)O Tox21_110355_1 -NCGC00163906-02 196704528 tox21-ror-cho-viability-p1 set1 4 2.16167422 2.69075438 1.52056059 -0.28408124 1.55908898 -0.42179053 3.35976975 1.91064114 2.98883986 -1.66807874 1.03036631 -1.60260388 0.22510979 -0.67325193 2.63917081 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00178830-05 196704544 tox21-ror-cho-viability-p1 set1 4 -1.68642474 -3.61700529 -1.58915785 1.20743686 -0.98677589 -1.16837282 -1.5133892 -1.19499907 -1.26594679 -0.82360631 -0.62538248 0.91362288 -0.11539952 -2.27434752 1.63201681 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87-33-2 6883 170464980 F Isosorbide dinitrate [O-][N+](=O)O[C@H]1CO[C@@H]2[C@H](O[N+]([O-])=O)CO[C@H]12 Tox21_111317_1 -NCGC00253661-01 196704937 tox21-ror-cho-viability-p1 set1 4 -0.12093033 -3.43813214 -3.40218278 0.43965193 -2.5383797 -0.30822172 -2.70534699 -0.06076256 0.34102859 0.31478656 -2.60044425 -0.14968418 -4.77155222 -0.3571097 0.84989117 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 85-90-5 66569 170466212 A A Methylchromone O=C1c2ccccc2OC=C1C Tox21_113786 -NCGC00015747-09 196704950 tox21-ror-cho-viability-p1 set1 -2.4 33.4914596268 -25.0601102159 0 -25.0601102159 4.9549173134 0.8950585725 0.0004129197 5.61854632 0.28942953 -1.34572166 1.31138349 -2.4820981 0.23535715 -0.48020274 -0.38713454 -0.60156317 -1.52345837 0.0517661 -0.79887285 1.2946297 -1.08155272 -20.88342518 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55985-32-5 4474 170465173 A Nicardipine CC=2NC(C)=C(C(C=2C(=O)OCCN(C)Cc1ccccc1)c3cccc(c3)[N+]([O-])=O)C(=O)OC Tox21_110211_1 -NCGC00247723-01 196704957 tox21-ror-cho-viability-p1 set1 4 -3.11074935 0.91216536 -1.7933206 -3.70382158 0.13599655 -0.0748595 -1.44101966 0.46442151 -2.85893652 -0.42072798 -3.16247764 -1.45487054 -3.11405916 0.92366732 2.14262106 1.377E-9 3.0799999999E-9 6.887E-9 1.54E-8 3.443E-8 7.699E-8 1.722E-7 3.8499999999E-7 8.608E-7 0.0000019249999999 0.000004304 0.000009624 0.000021519999999 0.000048119999999 0.00010759999999 74341-78-9 3057998 144206441 A A 1-(1,3-Benzodioxol-5-yl)-N-ethylpropan-2-amine hydrochloride Cl.CC(NCC)Cc1ccc2OCOc2c1 Tox21_112888 -NCGC00357283-01 196703731 tox21-ror-cho-viability-p1 set1 4 61.130564862 -16.1195326759 1 -15.1195326759 4.5044702849 0.8896018203 0.0005367428 -0.22717464 0.56010489 -0.96146288 2.58131031 0.53261149 0.61059717 3.26512925 0.00581534 3.43094191 1.55826822 2.37796466 0.92241158 0.13312416 -1.09588324 -13.01627723 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4719-04-4 104556 251919683 Fns 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanol OCCN1CN(CN(C1)CCO)CCO Tox21_303727 -NCGC00260190-01 196703717 tox21-ror-cho-viability-p1 set1 4 -3.73159615 1.1064188 8.69593434 0.52851679 3.91122194 0.32230764 -0.18744964 1.01326481 -3.65690314 -0.0062835 -0.05489677 -8.32715857 1.21171455 -0.43460903 -4.31454051 1.214E-9 2.7139999999E-9 6.07E-9 1.357E-8 3.035E-8 6.786E-8 1.517E-7 3.393E-7 7.587E-7 0.000001697 0.000003794 0.000008483 0.00001897 0.000042409999999 0.000094839999999 412009-61-1 16217215 144209840 A Ac 1-Ethyl-3-methylimidazolium hydrogen sulfate C[n+]1ccn(CC)c1.[O-]S(=O)(=O)O Tox21_202642 -NCGC00357045-01 196703726 tox21-ror-cho-viability-p1 set1 4 3.99729166 -1.38646957 -8.45540317 -1.46550259 -3.8559236 6.96402742 -0.55084319 5.8443633 2.7749167 0.58790531 8.28995108 0.0471255 -5.99466024 0.44254849 -4.63704572 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 364-76-1 67768 251919897 F 4-Fluoro-3-nitroaniline O=[N+]([O-])c1cc(N)ccc1F Tox21_303736 -NCGC00357143-01 196703729 tox21-ror-cho-viability-p1 set1 4 6.8167254 0.33423908 1.99201458 -0.46769692 -7.68146121 3.72709981 1.39874173 4.03662601 6.31869849 -0.64427935 1.21291043 -0.12072202 1.89563488 6.21550636 5.9367658 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 623-36-9 12177 251919927 F 2-Methylpent-2-enal CC(=CCC)C=O Tox21_303885 -NCGC00357193-01 196704132 tox21-ror-cho-viability-p1 set1 4 -1.12040019 1.63732619 -0.394612 -6.50361274 -4.77544672 0.82291427 -1.11764065 -0.48156871 -0.22459728 -6.58571442 -4.26507306 1.04213937 -5.27221099 -1.00631136 0.26477244 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-30-5 12313 251919675 A 3-Chloro-1-propanol ClCCCO Tox21_303962 -NCGC00257961-01 196702300 tox21-ror-cho-viability-p1 set1 -2.1 54.5380840886 -73.5687729309 -5.322914777 -78.8916877079 3.0654483358 0.9570834919 0.0000036236 -10.42476068 -8.74524 0.63833095 -7.92905273 -7.9589971 -5.49240772 1.64453587 -5.19919426 -4.44588459 -4.29988968 -7.77008679 -7.96152761 -3.58285447 -28.5678613 -66.5846119 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.953E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008253 0.000018449999999 0.00004127 0.00009227 7783-00-8 1091 144207605 Fns Selenious acid O=[Se](O)O Tox21_200407 -NCGC00357127-01 196703117 tox21-ror-cho-viability-p1 set1 4 4.13551432 2.58510642 3.69060387 2.01717849 1.13919514 2.313747 -3.12734368 1.824268 4.9415248 -0.88257547 2.74387895 3.75103066 2.28637299 4.49870745 4.93335376 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-48-5 7937 251919847 Ac 2,6-Dimethylpyridine Cc1cccc(C)n1 Tox21_303862 -NCGC00090780-04 196703126 tox21-ror-cho-viability-p1 set1 4 1.49273032 1.76499551 0.30057596 -1.41020681 -4.67150988 0.33669224 3.07138135 -2.94419477 -2.67925444 2.04529365 0.66709242 -6.34841544 -2.07744614 -1.27110666 -2.77360425 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00357231-01 196703130 tox21-ror-cho-viability-p1 set1 -2.4 61.130564862 -29.3351331439 1 -28.3351331439 3.6272481694 0.8379726915 0.0032050561 -6.07679765 3.60178415 1.0910843 0.53960028 0.04029001 0.39178067 5.72942692 5.46417966 -0.04662679 0.07124943 0.30642644 1.47825141 -0.31452382 -4.73775847 -22.77927762 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 791-31-1 69925 251919732 A Triphenylsilanol O[Si](c1ccccc1)(c2ccccc2)c3ccccc3 Tox21_304018 -NCGC00258444-01 196703137 tox21-ror-cho-viability-p1 set1 -2.1 67.4055501551 -76.1524728722 -3.732027443 -79.8845003152 3.9899729863 0.9356951521 0.0000327536 -0.39640343 -0.52634265 -0.151696 0.02382535 -10.42132773 0.28656207 -8.00704318 -2.99140039 -0.51305386 -1.11308789 -4.72828409 -6.91684238 -12.07087512 -12.37620944 -62.03371236 1.163E-9 2.602E-9 5.817E-9 1.301E-8 2.909E-8 6.5039999999E-8 1.454E-7 3.252E-7 7.2719999999E-7 0.0000016259999999 0.000003636 0.00000813 0.00001818 0.00004065 0.000090889999999 793-24-8 13101 144208088 A B N-(1,3-Dimethylbutyl)-N'-phenyl-p-phenylenediamine CC(C)CC(C)Nc1ccc(cc1)Nc2ccccc2 Tox21_200890 -NCGC00260255-01 196703138 tox21-ror-cho-viability-p1 set1 4 4.27934168 1.82891791 5.53255302 1.54826699 0.00961977 -0.80236412 6.85758493 7.05345683 0.56623838 3.88164599 4.60220491 3.59492191 3.82839894 5.42696103 2.19351419 1.196E-9 2.6749999999E-9 5.982E-9 1.338E-8 2.9909999999E-8 6.689E-8 1.496E-7 3.344E-7 7.478E-7 0.0000016719999999 0.0000037389999999 0.000008361 0.00001869 0.000041799999999 0.00009347 608140-09-6 16719897 144209905 D 1-Methyl-1-propylpyrrolidinium bromide [Br-].C[N+]1(CCC)CCCC1 Tox21_202707 -NCGC00260633-01 196703544 tox21-ror-cho-viability-p1 set1 4 6.03059129 -2.76304253 -0.03796309 -1.15418158 4.05076449 1.38467352 -1.57006724 3.92728813 -1.71099224 4.49564104 2.90253854 2.8043504 -3.72263782 4.5597263 2.64555744 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49529 144210286 M M NTP Mix109 ER1 10-EQC Tox21_203088 -NCGC00257926-01 196702734 tox21-ror-cho-viability-p1 set1 4 -3.01295238 0.70720011 -3.22227296 -3.67458363 -9.50044465 0.42263489 -7.63258502 -8.76766756 2.77273433 -4.17556752 -7.71360955 -4.25750552 -6.59344601 -5.21690688 -1.94369884 1.171E-9 2.618E-9 5.8549999999E-9 1.3089999999E-8 2.927E-8 6.546E-8 1.464E-7 3.2729999999E-7 7.3179999999E-7 0.0000016359999999 0.0000036589999999 0.000008182 0.0000183 0.000040909999999 0.00009148 89-58-7 6974 144207570 A A 1,4-Dimethyl-2-nitrobenzene Cc1ccc(C)cc1[N+](=O)[O-] Tox21_200372 -NCGC00258056-01 196702315 tox21-ror-cho-viability-p1 set1 4 1.62656614 2.89283468 0.61826564 6.87791082 5.45016627 1.46794097 6.4907587 0.36674299 3.16816922 5.43805855 0.21961112 -0.17313337 5.54395848 0.48044239 2.68244359 1.2069999999E-9 2.6979999999E-9 6.034E-9 1.349E-8 3.017E-8 6.746E-8 1.5079999999E-7 3.373E-7 7.5419999999E-7 0.0000016859999999 0.0000037709999999 0.000008432 0.00001886 0.000042159999999 0.00009428 55-22-1 5922 144207700 A A Isonicotinic acid O=C(O)c1ccncc1 Tox21_200502 -NCGC00258094-01 196702317 tox21-ror-cho-viability-p1 set1 -2.4 61.1927368097 -28.471725376 1 -27.471725376 3.1924983358 0.8814663103 0.0007478063 5.04794441 5.13987711 1.15996489 -1.94139452 0.57792194 -1.37279264 3.50634059 1.02040793 1.21777472 1.88330732 0.82329609 -2.1355615 -1.05423555 -4.80157785 -21.64310448 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.952E-8 6.6E-8 1.476E-7 3.3E-7 7.379E-7 0.0000016499999999 0.00000369 0.0000082499999999 0.000018449999999 0.00004125 0.000092239999999 1085-12-7 14138 144207738 A A Heptylparaben Oc1ccc(cc1)C(=O)OCCCCCCC Tox21_200540 -NCGC00258741-01 196702333 tox21-ror-cho-viability-p1 set1 4 43.2771256911 12.0163833599 -1.0163833599 11 2.4063783767 0.7896994695 0.0100280744 -5.0136528 -1.24093327 0.05039947 -0.52995155 0.70968106 -0.3710557 -0.16957489 -0.7540382 -0.08270348 0.67611199 -0.96595255 -0.85969963 -1.8084976 6.03834677 9.08214999 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.0000036889999999 0.000008248 0.00001844 0.00004124 0.00009222 50-45-3 5765 144208387 A A 2,3-Dichlorobenzoic acid Clc1c(cccc1Cl)C(=O)O Tox21_201189 -NCGC00257807-01 196702739 tox21-ror-cho-viability-p1 set1 4 35.3925260998 13.424332692 -2.424332692 11 1.21 0.5068568449 0.1730857177 -6.76449891 -9.93694391 1.64913821 -0.37661254 0.59949363 0.67518232 -3.51215802 -0.00611011 -6.43309018 -3.34933499 0.13183456 1.50368605 0.34193866 4.80624142 8.58643117 1.2089999999E-9 2.703E-9 6.045E-9 1.352E-8 3.022E-8 6.758E-8 1.511E-7 3.379E-7 7.556E-7 0.00000169 0.0000037779999999 0.000008448 0.00001889 0.00004224 0.000094449999999 7665-72-7 24314 144207451 AC Ac tert-Butyl glycidyl ether CC(C)(C)OCC1CO1 Tox21_200253 -NCGC00257271-01 196726570 tox21-ror-cho-viability-p1 set3 -2.2 61.130564862 -64.0274476606 -2.217102289 -66.2445499496 3.5722481694 0.9615698683 0.0000019611 -2.50885072 -3.49415787 -2.57980449 -4.59479545 -2.91651577 2.81909111 -0.40288718 -0.9784095 0 -9.43057595 0 -1.72895143 -4.81366152 -14.76902922 -54.35193178 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 6088-51-3 22463 144213671 A A 6-Hydroxy-2-naphthyl disulfide Oc1ccc2cc(ccc2c1)SSc3ccc4cc(O)ccc4c3 Tox21_303354 -NCGC00024810-07 196726165 tox21-ror-cho-viability-p1 set3 4 0.0059557173 -5.2542312799 4 -1.2542312799 3.9294729863 0.4596406029 0.2185683941 2.28450067 0.28504359 9.61523036 -1.13274469 -0.06644683 -0.84918089 0.31700991 -2.7118594 -1.98603722 -0.89342237 -1.73537672 -2.47077532 -0.65318286 -1.37613576 0.47870645 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6673-35-4 4883 170466619 A Practolol CC(C)NCC(O)COc1ccc(cc1)NC(C)=O Tox21_110928_1 -NCGC00160373-02 196726173 tox21-ror-cho-viability-p1 set3 4 0.08264699 1.52676463 0.20776043 8.12088735 4.77208081 9.54377641 14.2791122 7.56374683 8.7694895 22.77557694 15.45051266 0.68589254 9.8707005 0.57373307 3.97117948 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58338-59-3 42725 170466192 A Dianiline O=C(Nc1ccccc1N)c2ccc(N)cc2 Tox21_111769_1 -NCGC00091086-02 196726175 tox21-ror-cho-viability-p1 set3 4 -2.09933179 -10.06080247 4.89063818 0.51291734 -0.06872874 0.64314594 -1.34158578 -3.25670864 -9.00463402 -8.85949016 -5.74452024 -1.14804704 -3.50334909 -0.55365927 3.7327119 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00091663-03 196726572 tox21-ror-cho-viability-p1 set3 4 76.9588215421 12.348214504 0.651785496 13 4.9549173134 0.4988247162 0.1818517376 -1.32917166 -1.70053043 0.55683188 -0.05424033 0.07314761 0.86183324 1.50643693 1.97365936 0.08297256 7.45934614 1.79677974 -0.93407298 0.36451468 -1.95684542 9.59226936 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00257130-01 196726984 tox21-ror-cho-viability-p1 set3 4 0.21610937 5.60510986 5.60290238 2.91172447 2.74644924 2.53162386 5.69018949 2.11957378 1.70750939 1.70257189 0.59465017 5.79800036 3.68669291 6.53074165 5.1212369 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 694-83-7 4610 144213537 F Ac 1,2-Cyclohexanediamine NC1CCCCC1N Tox21_303220 -NCGC00256840-01 196726996 tox21-ror-cho-viability-p1 set3 4 0.93961133 1.31205372 0.50908266 2.14836887 1.89681549 2.21292724 2.7141831 0.69206533 0.20431907 0.9624222 -0.93256526 4.51905317 0.20175689 2.50063051 4.15965029 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-07-3 8380 144212920 C Ac Octyl decyl phthalate O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC Tox21_302603 -NCGC00256536-01 196727405 tox21-ror-cho-viability-p1 set3 4 3.27031337 0.96203312 2.49559045 -3.35269902 1.71071018 -1.50923587 -0.98685143 -0.28724181 -3.33318348 -0.91355437 0.49885848 -1.64494418 1.23322096 0.81540496 -1.05147208 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5949999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 57-06-7 5971 144213207 Fns Allyl isothiocyanate C=CC\N=C=S Tox21_302890 -NCGC00256895-01 196727406 tox21-ror-cho-viability-p1 set3 4 3.02537685 1.38549726 0.87800531 0.05163553 1.13931756 -1.54645783 1.71387092 -1.85320849 -7.79533845 -0.8095985 0.25667647 -1.08612798 1.97561558 0.48786972 -0.17560498 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-12-9 31286 144212863 A A Octanenitrile CCCCCCCC#N Tox21_302546 -NCGC00258303-01 196729587 tox21-ror-cho-viability-p1 set3 -1.1 13.8526067795 -87.2411184928 1.3448782119 -85.8962402809 2.4063783767 0.9887430145 1.7E-9 1.52444094 0.65998408 -1.45218469 -0.5908363 1.04050144 -0.07507654 -0.02385884 1.35044684 0.42958972 3.30023353 -0.08401854 -9.27673217 -61.43713671 -83.25098435 -80.97398646 1.1919999999E-9 2.6649999999E-9 5.959E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.331E-7 7.449E-7 0.0000016659999999 0.000003725 0.0000083279999999 0.00001862 0.00004164 0.00009312 85-60-9 6815 144207947 A A 4,4'-Butane-1,1-diylbis(2-tert-butyl-5-methylphenol) CC(C)(C)c1cc(c(C)cc1O)C(CCC)c2cc(c(O)cc2C)C(C)(C)C Tox21_200749 -NCGC00255957-01 196729169 tox21-ror-cho-viability-p1 set3 4 1.22179501 -2.44459329 -0.51223045 -1.2926696 7.56817257 -0.50446813 5.72788249 3.14699024 0.87769851 -3.08558559 5.83603653 4.89604632 -1.98691356 7.75710907 2.85713102 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14073-97-3 26447 144212470 A (2S,5R)-5-Methyl-2-(propan-2-yl)cyclohexanone CC(C)[C@@H]1CC[C@@H](C)CC1=O Tox21_302153 -NCGC00258368-01 196729575 tox21-ror-cho-viability-p1 set3 4 -0.70072772 0.9783753 0.28982903 0.75817069 -0.11269597 0.97150572 0.89935838 -7.22018294 -0.42807722 1.27176788 0.25709411 -0.95230445 -1.59506182 -0.83005312 0.06186836 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.00000389 0.0000086969999999 0.00001945 0.00004349 0.000097239999999 10025-87-3 24813 144208012 Phosphoric trichloride ClP(Cl)(Cl)=O Tox21_200814 -NCGC00258620-01 196729584 tox21-ror-cho-viability-p1 set3 4 1.27073907 -0.99863196 -1.17367703 0.12788752 2.46510743 0.24233748 1.38194307 -1.29879016 3.70893079 2.18818829 0.45430058 -1.59172229 1.19763846 -1.48657164 -2.0358647 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9569999999E-8 6.613E-8 1.479E-7 3.306E-7 7.394E-7 0.0000016529999999 0.000003697 0.000008266 0.00001848 0.00004133 0.00009242 5324-84-5 23669624 144208265 A A Sodium 1-octanesulfonate [Na+].O=S(=O)([O-])CCCCCCCC Tox21_201067 -NCGC00259295-01 196722038 tox21-ror-cho-viability-p1 set3 4 27.4727179077 7.1349441759 -4.6349441759 2.5 4.0949729863 0.5232179181 0.1600481532 -7.53595701 -3.1051551 -3.62247375 0.80812587 -2.27637948 -6.30330254 -7.39971089 -6.06195432 -6.25279783 -4.81311889 -3.22875577 -7.61245348 -2.66861094 0.95815605 3.04565181 1.1859999999E-9 2.6519999999E-9 5.929E-9 1.326E-8 2.9649999999E-8 6.629E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008286 0.00001853 0.000041429999999 0.00009265 2426-08-6 17049 144208944 B B Butyl glycidyl ether CCCCOCC1CO1 Tox21_201746 -NCGC00090760-08 196722027 tox21-ror-cho-viability-p1 set3 4 108.0442642193 -26.60964214 -4 -30.60964214 0.7999999999 0.4191809156 0.2536005989 -6.3466719 -2.29301928 0.58269336 5.86077923 -5.82174803 -7.86001813 -6.28271431 -7.29181224 -7.93750688 -4.36830016 -9.60447532 -3.99741315 -8.54027037 -3.86251738 -23.84136845 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00259075-01 196722030 tox21-ror-cho-viability-p1 set3 4 27.6395842712 21.76416742 -9.76416742 12 4.9549173134 0.6350082869 0.0857827809 -11.26487911 -6.48167812 -2.09705564 -7.59963983 -2.33988778 -13.99484042 -11.1264356 -14.80347285 -9.85004508 -9.76029967 -14.44879199 -11.52007941 -6.36678125 9.86273479 -0.20388432 1.1919999999E-9 2.6649999999E-9 5.959E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.331E-7 7.449E-7 0.0000016659999999 0.000003725 0.0000083279999999 0.00001862 0.00004164 0.00009312 624-92-0 12232 144208723 Methyl disulfide CSSC Tox21_201525 -NCGC00160537-04 196722037 tox21-ror-cho-viability-p1 set3 4 -6.48198229 -5.92599971 -8.00813043 3.00193086 -6.12640784 -7.46410175 -0.70745226 -4.17279326 -7.73884811 -3.08550479 -3.46147565 -6.56404034 -5.03235617 -3.30710727 -9.94159992 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00259087-01 196722041 tox21-ror-cho-viability-p1 set3 4 -0.78725245 1.84062268 4.78987543 8.73777966 3.42270797 -6.17939135 2.03942715 -1.75339558 -4.33356641 -4.09753222 2.10427571 3.09825906 3.20035612 7.69468152 6.65004856 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003668 0.000008201 0.00001834 0.000041009999999 0.00009169 123-18-2 61057 144208735 AC Fc 2,6,8-Trimethyl-4-nonanone CC(C)CC(C)CC(=O)CC(C)C Tox21_201537 -NCGC00259941-01 196722051 tox21-ror-cho-viability-p1 set3 4 -6.32956819 -3.60587845 -5.18660332 0.35641155 -4.96011047 -7.97952892 -5.49894549 -6.59856193 -6.93069139 -3.79968866 -5.69976682 -6.36971503 -5.23453629 -5.23663158 -6.00802036 1.154E-9 2.5809999999E-9 5.772E-9 1.291E-8 2.886E-8 6.453E-8 1.443E-7 3.227E-7 7.215E-7 0.0000016129999999 0.000003608 0.000008067 0.000018039999999 0.000040329999999 0.000090189999999 2227-13-6 16685 144209590 A Ac Tetrasul Clc2cc(Sc1ccc(Cl)cc1)c(Cl)cc2Cl Tox21_202392 -NCGC00094437-05 196722854 tox21-ror-cho-viability-p1 set3 4 0.0007497804 -14.097065464 15 0.902934536 4.9549173134 0.5688797197 0.1367602596 12.0067672 0.34033153 -1.85855661 5.92132175 2.70372839 4.29747808 -2.16422122 -1.8403826 2.79378309 -0.71157828 -1.24273666 2.11356456 2.9206576 -0.52944852 14.86316137 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 153-94-6 9060 170465485 A d-Tryptophan O=C(O)[C@H](N)Cc2cnc1ccccc12 Tox21_111205_1 -NCGC00160677-02 196722856 tox21-ror-cho-viability-p1 set3 4 1.333319023 -11.23614168 -0.5 -11.73614168 1.8851180601 0.9485768863 0.0000240556 0.85655878 -0.21553284 -0.45491356 -0.69724687 -1.19699224 -0.50622348 -1.00229971 1.03231355 -3.61375177 -3.0923498 -6.71943578 -11.8634514 -11.51992 -10.73456081 -2.71594246 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 968-61-6 68943 170466198 A Butinoline OC(C#CCN1CCCC1)(c2ccccc2)c3ccccc3 Tox21_111980_1 -NCGC00258447-01 196730547 tox21-ror-cho-viability-p1 set3 4 12.1475525392 9.0763928959 -0.5763928959 8.5 2.2526478767 0.6860705113 0.0552721312 -1.98559248 -1.00261459 0.48354834 0.54216825 -1.50870418 0.55113134 0.66471166 -1.6596012 -3.39699408 2.77345841 0.89639554 -0.46739608 8.34430625 6.57695981 -0.06673717 1.1759999999E-9 2.63E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.576E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.00000822 0.000018379999999 0.0000411 0.0000919 879-39-0 13428 144208091 Ac 2,3,4,5-Tetrachloronitrobenzene Clc1c(cc(Cl)c(Cl)c1Cl)[N+]([O-])=O Tox21_200893 -NCGC00259395-01 196706604 tox21-ror-cho-viability-p1 set1 4 9.19735188 1.238285 0.88435864 1.83695401 1.68687573 -1.52205667 1.68380973 -0.41778909 -8.97855675 13.60532289 0.60199309 -1.92898968 2.41450927 8.6804449 0.57475994 1.185E-9 2.651E-9 5.927E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3129999999E-7 7.409E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009261 66215-27-8 47866 144209044 A A Cyromazine Nc2nc(N)nc(NC1CC1)n2 Tox21_201846 -NCGC00259108-01 196706185 tox21-ror-cho-viability-p1 set1 4 0.0246090084 8.6695292639 -9.1695292639 -0.5 4.9549173134 0.4196251153 0.2534009681 -5.30304524 -0.54214633 -14.75230438 -15.97460772 -0.4698828 -1.25413841 2.15656833 -1.73838155 -6.80818038 0 -3.11689176 -2.16476893 3.23604668 -1.81097046 2.79601526 1.191E-9 2.663E-9 5.954E-9 1.331E-8 2.977E-8 6.657E-8 1.489E-7 3.3279999999E-7 7.4429999999E-7 0.0000016639999999 0.000003721 0.0000083209999999 0.00001861 0.000041609999999 0.00009303 59-66-5 1986 144208757 A A Acetazolamide O=S(N)(=O)c1nnc(NC(C)=O)s1 Tox21_201559 -NCGC00258968-01 196706196 tox21-ror-cho-viability-p1 set1 4 8.97696443 9.80310989 0.17703353 0.47201185 0.28473865 -0.3126902 -0.78083528 5.22079565 0.41492163 0 0.49725617 6.50498219 -1.00301958 6.82698632 0.76891393 1.19E-9 2.6619999999E-9 5.9519999999E-9 1.331E-8 2.976E-8 6.654E-8 1.4879999999E-7 3.3269999999E-7 7.44E-7 0.0000016639999999 0.00000372 0.0000083179999999 0.0000186 0.00004159 0.000093 598-72-1 11729 144208615 A B 2-Bromopropionic acid BrC(C)C(=O)O Tox21_201417 -NCGC00259511-01 196706197 tox21-ror-cho-viability-p1 set1 4 -0.39468947 -1.05652877 -0.94129022 -5.26245297 -1.10046092 -1.5988135 -0.93122328 -3.53664449 -2.19277928 0 -1.6136925 0.03848906 -0.85092981 4.33627233 3.91204554 1.224E-9 2.738E-9 6.1219999999E-9 1.369E-8 3.0609999999E-8 6.844E-8 1.5299999999E-7 3.422E-7 7.652E-7 0.000001711 0.000003826 0.0000085559999999 0.000019129999999 0.00004278 0.00009565 759-94-4 12968 144209160 A A EPTC CCCN(CCC)C(=O)SCC Tox21_201962 -NCGC00259901-01 196706605 tox21-ror-cho-viability-p1 set1 4 3.99955956 5.21124582 -5.39609655 2.84990577 -0.21959708 -1.01058985 -0.21297267 0.17645848 4.95518474 11.62932432 -5.43310023 -3.16793466 0.03074452 2.44315476 2.54358884 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.4699999999E-7 3.2859999999E-7 7.3479999999E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004108 0.00009185 27470-51-5 5362 144209550 A A Suxibuzone O=C(O)CCC(=O)OCC2(CCCC)C(=O)N(c1ccccc1)N(C2=O)c3ccccc3 Tox21_202352 -NCGC00259164-01 196706611 tox21-ror-cho-viability-p1 set1 4 -12.46609281 -2.20211502 -6.86606471 -14.35392425 -3.20320887 -10.2099454 -6.26773585 -4.85099593 -9.23039429 0 -0.03653293 -10.55787345 -3.80706226 1.0043854 -5.3098666 1.1779999999E-9 2.633E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.00000368 0.00000823 0.000018399999999 0.00004115 0.00009201 8007-70-3 144208813 Anise oil Tox21_201615 -NCGC00259715-01 196706616 tox21-ror-cho-viability-p1 set1 4 -16.45062374 -6.70393994 -5.99638445 -17.70275228 -11.79095577 -15.37057301 -2.87095885 -11.1623894 -3.28692252 -17.21777521 -0.93351816 -17.27279874 -6.62636131 -7.50392674 -5.97433714 1.175E-9 2.626E-9 5.873E-9 1.3129999999E-8 2.936E-8 6.566E-8 1.468E-7 3.2829999999E-7 7.341E-7 0.000001641 0.0000036699999999 0.000008207 0.00001835 0.00004104 0.00009176 13674-87-8 26177 144209364 A A TDCPP ClCC(OP(=O)(OC(CCl)CCl)OC(CCl)CCl)CCl Tox21_202166 -NCGC00259310-01 196706620 tox21-ror-cho-viability-p1 set1 4 -4.49193895 1.63587415 -2.68729386 5.77533745 -0.22515613 0.73695301 -0.37760512 1.17012764 0 6.35198489 1.24192061 3.57157416 -1.54892568 -2.77826607 -4.05427786 1.243E-9 2.7789999999E-9 6.2129999999E-9 1.3889999999E-8 3.107E-8 6.9459999999E-8 1.553E-7 3.473E-7 7.7659999999E-7 0.000001737 0.000003883 0.000008683 0.00001942 0.000043409999999 0.00009708 51-79-6 5641 144208959 A A Urethane NC(=O)OCC Tox21_201761 -NCGC00256315-01 196707432 tox21-ror-cho-viability-p1 set1 4 43.2771256911 16.9748388399 -1.4748388399 15.5 2.7202212143 0.8942106812 0.0004326025 -0.29496743 -2.84765426 -1.54960388 -0.75361804 -2.64297182 0.93161153 -1.97864543 -1.1014409 -2.11364688 0.2013369 -0.9108165 -1.25949202 -3.3123657 8.2969285 13.05831421 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2244-16-8 16724 144213060 A F d-Carvone CC1=CC[C@@H](CC1=O)C(C)=C Tox21_302743 -NCGC00257180-01 196707439 tox21-ror-cho-viability-p1 set1 4 -0.74208766 2.82678529 1.65058725 1.33260906 0.42235833 1.30182186 2.75715789 1.71178831 3.3017162 1.12574702 2.01212912 2.97962761 1.04275535 0.27936152 3.80280432 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69806-40-2 50896 144213430 A A Haloxyfop-methyl O=C(OC)C(C)Oc1ccc(cc1)Oc2ncc(cc2Cl)C(F)(F)F Tox21_303113 -NCGC00183833-01 196705397 tox21-ror-cho-viability-p1 set1 4 0.04234531 1.35389348 3.15609948 7.09734408 -0.74953044 6.52480641 0.64894925 3.50769417 7.08670398 0.65314471 4.00163904 -0.43459733 2.27826308 4.03615444 0.99053009 5.899E-12 1.319E-11 2.949E-11 6.595E-11 1.475E-10 3.2969999999E-10 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 187269-40-5 9811353 144206811 A A Bimosiamose O=C(O)Cc1cccc(c1)c3cc(ccc3O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)CCCCCCc5ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)c(c5)c6cccc(CC(=O)O)c6 Tox21_113260 -NCGC00015060-14 196705381 tox21-ror-cho-viability-p1 set1 4 -3.23494871 -3.64563547 5.15934217 1.16667151 3.05325084 0.07042344 -3.74078783 -4.42707357 -1.20122647 1.80552216 -4.42738981 -0.27667071 1.31435685 5.11023129 1.64192929 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00093351-06 196705382 tox21-ror-cho-viability-p1 set1 4 -1.68371574 -0.00724099 -1.23768028 -0.87275179 2.41662068 1.2937052 2.46340351 7.08926701 0.51975992 0.47142689 0.5354293 -1.13021631 0.60919557 -0.59461298 2.32881659 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35607-66-0 441199 170465105 F Cefoxitin O=C(O)C=2N3C(=O)[C@](NC(=O)Cc1cccs1)(OC)[C@H]3SCC=2COC(N)=O Tox21_113009_1 -NCGC00249898-01 196704387 tox21-ror-cho-viability-p1 set1 4 0.82872131 -3.06763916 -2.47475284 0.55268551 -1.48713728 -3.85297486 -0.48250194 -0.16003882 0.23528909 -2.35583825 -4.70619233 -2.75842564 -2.76035686 -1.1349197 -0.86919732 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 81632-85-1 23664290 170465549 Ac F Sodium 3, 4-dimethylphenyl-glyoxylate [Na+].Cc1ccc(cc1C)C(=O)C([O-])=O Tox21_113674 -NCGC00357187-01 196703967 tox21-ror-cho-viability-p1 set1 4 2.96733272 3.18180591 -1.4020895 -1.82084992 -0.68723518 3.13224181 4.40969469 -1.36787386 -0.26085791 2.25585188 4.93121428 -0.99010782 -2.03636399 1.35207433 0.60356432 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-10-1 7041 251919969 A 2,6-Dimethoxyphenol COc1cccc(OC)c1O Tox21_303953 -NCGC00260356-01 196703968 tox21-ror-cho-viability-p1 set1 4 0.54456074 -0.41952033 1.74489342 1.0476641 2.14374839 -0.44594113 1.32681222 0.17870306 -2.49450595 2.23298148 7.21574892 0.76795179 -1.31954842 1.92362938 0.22279568 1.051E-9 2.351E-9 5.256E-9 1.175E-8 2.628E-8 5.877E-8 1.3139999999E-7 2.938E-7 6.57E-7 0.000001469 0.000003285 0.000007346 0.00001643 0.000036729999999 0.000082129999999 19285-83-7 16219385 144210008 F Ac DL-Glutamic acid monohydrate O.OC(=O)CCC(N)C(=O)O Tox21_202810 -NCGC00016960-07 196704369 tox21-ror-cho-viability-p1 set1 4 -1.27716977 -0.87380844 0.91643413 -0.31674559 0.98116353 0.22144328 -1.68029885 -1.64691683 -1.462588 -1.85020603 1.99635569 1.45933228 1.53374498 -1.42121989 -1.84963028 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 93479-97-1 3476 170464966 A Glimepiride CC=3CN(C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)N[C@@H]2CC[C@@H](C)CC2)C(=O)C=3CC Tox21_110713_1 -NCGC00015436-11 196704783 tox21-ror-cho-viability-p1 set1 4 26.6032120037 -22.460255456 -0.5 -22.960255456 3.1319983358 0.9029801867 0.0002794757 1.01233045 0.11514548 1.16450232 -0.35973074 0.46933629 -5.50611627 -1.13782993 -0.54662593 -0.5155432 0.27120624 2.25455875 -0.44816017 -1.22660931 -7.34407838 -19.55021288 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69-23-8 3372 170465375 A Fluphenazine hydrochloride FC(F)(F)c2cc3N(CCCN1CCN(CCO)CC1)c4ccccc4Sc3cc2 Tox21_110146_1 -NCGC00253659-01 196704780 tox21-ror-cho-viability-p1 set1 4 1.7657199 -0.54828181 -0.43471308 1.33786603 1.57714501 4.38230436 -0.24168809 2.9835851 0.83461933 -0.23037398 0.8846035 1.37114939 -0.6698759 0.03105246 1.36124496 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84449-80-9 5743835 170466710 A A 4-(2-Piperidinoethoxy)benzoic acid hydrochloride(1:1) Cl.O=C(O)c2ccc(OCCN1CCCCC1)cc2 Tox21_113785 -NCGC00091493-09 196705205 tox21-ror-cho-viability-p1 set1 4 0.0007497804 13.727071432 -14.727071432 -1 1.4641 0.4464913541 0.2299354392 -10.60589286 -2.62961948 -2.11273308 -6.14454568 2.02073228 -0.90640846 0.45041775 -2.47126197 -0.38270431 -4.88361338 -1.60930287 0.10098463 -4.97657034 0.0063649 2.60940074 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104-46-1 7703 170465678 F Anethole COc1ccc(C=CC)cc1 Tox21_111139_1 -NCGC00258962-01 196705625 tox21-ror-cho-viability-p1 set1 4 0.12503093 -1.24141857 2.0722098 3.30241786 4.76436101 0.90283041 2.60326732 -0.15243732 4.27168042 1.06044491 -0.75113024 4.32900815 0.93272494 2.61974197 0.89146403 1.154E-9 2.5809999999E-9 5.77E-9 1.29E-8 2.885E-8 6.451E-8 1.443E-7 3.226E-7 7.213E-7 0.0000016129999999 0.000003606 0.000008064 0.00001803 0.00004032 0.000090159999999 95-80-7 7261 144208609 A A 2,4-Diaminotoluene Nc1cc(N)c(C)cc1 Tox21_201411 -NCGC00260562-01 196703562 tox21-ror-cho-viability-p1 set1 4 -3.20718806 0.67286558 -6.79241838 -0.53390384 -4.44600735 -3.81806802 -4.1062049 -4.15716785 -2.00173203 1.68730839 -1.36495887 0.84058904 -3.16083581 -0.31825606 -1.88539644 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49458 144210215 M M NTP Mix70 CT1 62-EQP Tox21_203017 -NCGC00260222-01 196703158 tox21-ror-cho-viability-p1 set1 4 1.5941922 0.40401403 -0.0489308 1.07841963 0.43059523 3.208957 2.13286958 -9.74403599 -0.91974927 1.96482242 3.118259 0.31421227 0.91884111 1.01337046 7.27666222 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.0000036909999999 0.000008252 0.000018449999999 0.000041259999999 0.00009226 26576-84-1 13240377 144209872 A A 1-Butyl-2-methylpyridinium bromide [Br-].Cc1cccc[n+]1CCCC Tox21_202674 -NCGC00091586-02 196703160 tox21-ror-cho-viability-p1 set1 4 -0.94020744 -5.56577468 -0.15353046 -1.83967027 -5.58122394 -0.40401095 -2.21656454 -4.74292528 -0.0852459 -2.74020215 3.18319987 -2.92897895 -3.48435759 -6.63865626 -9.79048792 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00260268-01 196703166 tox21-ror-cho-viability-p1 set1 4 68.3476712937 16.036724288 -3.036724288 13 4.0949729863 0.4869483542 0.1907794256 0.33044335 -1.68734816 0.26358268 0.84225776 -7.75120445 -4.42442673 -8.76054359 -5.33097726 -1.30674581 -1.10039552 -10.44727024 0.41994415 -1.11463694 -0.31006033 10.23568254 1.2949999999E-9 2.895E-9 6.4729999999E-9 1.448E-8 3.237E-8 7.2379999999E-8 1.6179999999E-7 3.619E-7 8.092E-7 0.000001809 0.000004046 0.000009047 0.00002023 0.000045229999999 0.00010109999999 1118-71-4 70700 144209918 Ac F Dipivaloylmethane CC(C)(C)C(=O)CC(=O)C(C)(C)C Tox21_202720 -NCGC00260559-01 196703565 tox21-ror-cho-viability-p1 set1 4 0.57541293 1.55511613 -2.57894971 -2.06849399 -2.46529756 -6.05989602 -4.15413425 1.05491628 -3.66156436 -0.18180623 -0.14493991 -4.23935031 0.57316097 -3.08886546 1.00825931 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49455 144210212 M M NTP Mix67 CT1 62-EQP Tox21_203014 -NCGC00260343-01 196703580 tox21-ror-cho-viability-p1 set1 4 2.2971796 -2.0777446 -3.50995605 0.61141263 0.83301286 -3.92835196 -1.28345653 0.45713546 -2.65796422 -3.78673406 -2.93823514 -5.31244336 -2.49503408 -3.36097011 1.65475525 3.104E-10 6.9419999999E-10 1.552E-9 3.471E-9 7.7609999999E-9 1.735E-8 3.8809999999E-8 8.677E-8 1.94E-7 4.339E-7 9.7009999999E-7 0.000002169 0.000004851 0.00001085 0.00002425 85100-77-2 25153273 144209995 F 1-Butyl-3-methylimidazolium bromide Br.CN1C=CN(CCCC)C1 Tox21_202797 -NCGC00255885-01 196728660 tox21-ror-cho-viability-p1 set3 4 1.47020524 2.87692982 7.42558747 -1.13214877 6.37252056 1.48505126 6.42434188 0.03560327 2.96270435 7.35080184 -2.90134249 5.3416056 4.8817297 -2.45796991 2.46102447 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 1643-19-2 74236 144212466 A A Tetrabutylammonium bromide [Br-].CCCC[N+](CCCC)(CCCC)CCCC Tox21_302149 -NCGC00255757-01 196728255 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -19.5367486679 1.5 -18.0367486679 4.9549173134 0.4107350242 0.2619253145 0 2.23310674 7.74016895 3.03459231 0.09613194 -0.44786736 7.80836576 6.23063558 -2.12681355 -1.24607184 6.36534973 -5.66635339 -5.52580172 2.89768811 -12.53062389 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13171-00-1 61585 144211859 A Ac 1-(6-tert-Butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethanone CC(=O)c2cc(cc1c2CCC1(C)C)C(C)(C)C Tox21_301542 -NCGC00255374-01 196728260 tox21-ror-cho-viability-p1 set3 4 0.86023495 -1.73661601 3.06266665 -4.19673792 1.12487838 -3.43891923 2.4664344 -3.96332217 6.591469 -0.9159923 -3.39672909 -25.31097271 3.24097616 -4.78310455 -5.61782 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 143390-89-0 6112114 144212568 A A Kresoxim-methyl O=C(OC)\C(=N\OC)c2ccccc2COc1ccccc1C Tox21_302251 -NCGC00256103-01 196728262 tox21-ror-cho-viability-p1 set3 4 76.9588215421 13.176657992 0.823342008 14 4.9549173134 0.6343021169 0.0749911635 1.73907753 2.23698663 0.25736498 -0.05821986 -0.62668561 -0.52318454 4.89490135 -0.42145187 0.11822974 3.41021404 3.42325934 -0.79127762 0.89501072 -1.81388166 11.06541198 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-16-7 7043 144212614 A A 1,2-Dimethoxybenzene COc1ccccc1OC Tox21_302297 -NCGC00164449-04 196728671 tox21-ror-cho-viability-p1 set3 4 54.4826732819 -12.740807036 2 -10.740807036 3.5722481694 0.542689077 0.1426483018 -1.32383626 0.64946442 -0.69247843 -0.32256239 3.99211559 -1.28600716 3.04192818 8.87042726 0.81257652 4.69599836 3.69840062 3.52912931 2.07365163 -1.41890762 -8.95067253 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00255540-01 196728675 tox21-ror-cho-viability-p1 set3 4 0.0061130565 4.9043138199 -2.4043138199 2.5 1.8851180601 0.3229716097 0.3653744388 -1.09440639 -3.25359485 1.49573081 0.14422324 1.75456865 4.13455131 7.59247333 1.13321056 3.79473132 4.15432103 1.98876469 -1.90719251 -0.48925219 4.3617381 14.08940873 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 321-64-2 1935 144212594 A A Tacrine Nc1c3ccccc3nc2CCCCc12 Tox21_302277 -NCGC00258410-01 196730416 tox21-ror-cho-viability-p1 set3 4 1.94041275 -0.91539524 -0.08571088 0.61457002 -1.33630046 0.10558967 1.75994492 1.76934069 0.82358286 2.99131066 0.39512597 -1.26249618 2.4162078 1.88522304 1.96297108 1.173E-9 2.624E-9 5.867E-9 1.312E-8 2.934E-8 6.56E-8 1.4669999999E-7 3.28E-7 7.334E-7 0.0000016399999999 0.000003667 0.0000082 0.00001834 0.000041 0.00009168 74223-64-6 52999 144208054 A A Metsulfuron-methyl Cc2nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)nc(OC)n2 Tox21_200856 -NCGC00253937-01 196699207 tox21-ror-cho-viability-p1 set1 4 61.0684034629 9.622116792 -1.622116792 8 1.752947691 0.3707830052 0.304147454 -0.07123552 -0.65010929 -0.30815257 1.23885423 -5.44672066 1.25431639 -1.11121411 0.09719919 -5.51843066 -3.36265753 -4.39576975 -0.75886905 1.49158207 -0.14384331 5.2663296 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 112-34-5 8177 144210404 A A 2-(2-Butoxyethoxy)ethanol CCCCOCCOCCO Tox21_300084 -NCGC00254608-01 196699197 tox21-ror-cho-viability-p1 set1 4 38.5315576806 -31.0675351879 3 -28.0675351879 0.3 0.5307237017 0.1515037803 0.85940062 1.41865932 2.0231434 0.10090041 1.19764621 0.70474599 1.27210303 -10.61903495 2.36928803 -15.02550242 -8.81769119 -8.45041227 -1.65890304 -8.48893791 -21.72294599 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 5598-13-0 21803 144211017 I F Chlorpyrifos-methyl Clc1cc(Cl)c(Cl)nc1OP(=S)(OC)OC Tox21_300700 -NCGC00094532-06 196699206 tox21-ror-cho-viability-p1 set1 4 39.2385527265 10.4333711079 -2.9333711079 7.5 3.0654483358 0.5488128098 0.137678273 -2.7136355 -7.86114259 -4.11915549 -4.22066768 -2.00536248 -2.79119613 -0.01490624 -1.81226606 -3.53407101 0.93314866 -2.9072918 -1.91868615 -7.70514749 5.30239118 5.86294321 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00254868-01 196699608 tox21-ror-cho-viability-p1 set1 4 0.34707502 1.23896474 -0.28010954 -0.89926017 1.57223734 -0.28699412 0.02853115 -7.08501719 4.21172814 -2.00108076 5.18833857 1.12932632 0.11347355 -0.43840441 -1.14701383 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96182-53-5 93516 144211282 A A Tebupirimfos CC(C)(C)c1ncc(OP(=S)(OCC)OC(C)C)cn1 Tox21_300965 -NCGC00254632-01 196699614 tox21-ror-cho-viability-p1 set1 4 -2.32675433 -0.09435278 0.60509525 1.98017864 2.24591317 1.63384031 3.98999042 4.29214013 2.00528032 1.86732267 -1.10951539 2.72336492 2.93890448 2.5820063 4.2266613 1.1379999999E-9 2.544E-9 5.689E-9 1.2719999999E-8 2.8449999999E-8 6.361E-8 1.422E-7 3.18E-7 7.112E-7 0.00000159 0.000003556 0.0000079509999999 0.00001778 0.00003975 0.00008889 144550-36-7 16760189 144211043 A B Iodosulfuron-methyl-sodium [Na+].Cc2nc(NC(=O)[N-]S(=O)(=O)c1cc(I)ccc1C(=O)OC)nc(OC)n2 Tox21_300726 -NCGC00258951-01 196709099 tox21-ror-cho-viability-p1 set2 4 -0.03915635 0.5729032 2.05447714 -0.82656737 0.63306283 -0.08223529 1.3289733 -0.45776252 0.41990854 1.10833286 0.25336362 1.95168538 4.14105743 2.64297636 3.00175737 1.218E-9 2.722E-9 6.088E-9 1.361E-8 3.044E-8 6.8059999999E-8 1.522E-7 3.403E-7 7.61E-7 0.000001702 0.000003805 0.0000085079999999 0.000019019999999 0.000042539999999 0.00009512 108-89-4 7963 144208598 A Ac 4-Methylpyridine Cc1ccncc1 Tox21_201400 -NCGC00259850-01 196708688 tox21-ror-cho-viability-p1 set2 4 5.60389101 4.89361518 -1.00751746 5.77639419 0.94232664 -1.7489863 1.61415617 0.25874037 2.19491801 -0.47537422 4.21843981 -1.99144439 1.31505859 5.00658484 3.36224992 1.191E-9 2.663E-9 5.954E-9 1.331E-8 2.977E-8 6.657E-8 1.489E-7 3.3279999999E-7 7.4429999999E-7 0.0000016639999999 0.000003721 0.0000083209999999 0.00001861 0.000041609999999 0.00009303 101-86-0 7585 144209499 A A 2-Benzylideneoctanal O=CC(CCCCCC)=Cc1ccccc1 Tox21_202301 -NCGC00259466-01 196708695 tox21-ror-cho-viability-p1 set2 4 -3.79404893 -4.4760645 1.00196882 1.28312055 -3.0411876 -1.97730196 1.37823696 -0.16964951 -1.45055344 -0.80149732 -0.99646709 -3.77424603 0.04604035 -2.73313409 0.6668662 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.311E-7 7.405E-7 0.000001656 0.000003702 0.000008279 0.00001851 0.00004139 0.00009256 25377-73-5 32933 144209115 A A 3-(Dodecenyl)dihydro-2,5-furandione O=C1OC(=O)CC1C=CCCCCCCCCCC Tox21_201917 -NCGC00259819-01 196709098 tox21-ror-cho-viability-p1 set2 4 0.87052857 0.2547185 2.68321769 0.92090437 -0.08819029 0.76695556 0.71882684 -2.70361118 1.06825974 -0.61535255 0.52908537 0.63291288 0.33698464 0.38522783 0.50259037 1.195E-9 2.6729999999E-9 5.9769999999E-9 1.337E-8 2.989E-8 6.683E-8 1.494E-7 3.341E-7 7.4709999999E-7 0.000001671 0.000003736 0.000008353 0.000018679999999 0.00004177 0.00009339 1861-40-1 2319 144209468 A A Benfluralin [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCCC)CC)C(F)(F)F Tox21_202270 -NCGC00256757-01 196707046 tox21-ror-cho-viability-p1 set1 4 2.4336516212 -9.7168421519 -0.5 -10.2168421519 4.9549173134 0.504216759 0.1748047339 -8.83373915 0.48727435 0.60658237 -0.6378614 -0.44150831 -2.27519872 0.33568636 -1.33308581 2.54046972 2.2098114 -12.08242695 -11.59955824 0.15460308 -9.31986846 -16.84736846 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 34161-23-4 161803 144212786 A A Fipexide hydrochloride Cl.Clc1ccc(cc1)OCC(=O)N2CCN(CC2)Cc3ccc4OCOc4c3 Tox21_302469 -NCGC00259830-01 196706631 tox21-ror-cho-viability-p1 set1 4 1.12803826 1.02373019 0.62234528 -7.36953563 1.56794664 -0.55811005 -0.43157397 3.47040494 0.8708543 -6.17707853 1.80497877 1.35837992 4.67380796 1.47013412 -2.39774557 1.188E-9 2.657E-9 5.941E-9 1.3289999999E-8 2.971E-8 6.6429999999E-8 1.4849999999E-7 3.321E-7 7.427E-7 0.0000016609999999 0.000003713 0.000008303 0.00001857 0.00004152 0.000092829999999 79-39-0 6595 144209479 A A Methacrylamide C=C(C)C(N)=O Tox21_202281 -NCGC00091380-04 196706633 tox21-ror-cho-viability-p1 set1 4 2.02679021 3.31970959 1.09959288 0.22822879 1.89023243 5.37988413 0.35363905 -1.32554419 6.8061559 0 -0.15134388 -2.43249907 0.41752091 0.26381736 2.75237676 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00259408-01 196706644 tox21-ror-cho-viability-p1 set1 4 -1.58790033 1.72111609 0.3413854 0.57914666 -3.18945066 -0.15352732 -8.59825777 3.24439087 3.60729905 0 -2.4707208 3.28613982 2.28391279 2.92694922 4.63528646 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.552E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.0000036629999999 0.00000819 0.00001831 0.00004095 0.000091569999999 18883-66-4 29327 144209057 I F Streptozotocin O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)N(C)N=O Tox21_201859 -NCGC00256325-01 196707048 tox21-ror-cho-viability-p1 set1 -1.2 0.8634921799 -50.9556406395 -0.1521549509 -51.1077955904 1.8616924601 0.9639621443 0.0000013662 -1.87471196 -2.65843252 7.55509577 -1.39659922 -1.49579217 -2.35614198 -1.8898431 -9.30455977 -16.76040723 -45.30518752 -41.07007555 -47.96741813 -54.68791425 -58.96645374 -46.39270865 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 97-74-5 7347 144213197 B B Tetramethylthiuram monosulfide CN(C)C(=S)SC(=S)N(C)C Tox21_302880 -NCGC00256541-01 196707051 tox21-ror-cho-viability-p1 set1 -1.2 3.4376242854 -55.3800867889 -0.306126817 -55.6862136059 1.4163171 0.9881583174 2.2E-9 -1.74239122 1.99635287 0.86135133 0.2089429 0.41437018 -0.22389973 -0.96513171 -5.79381799 -6.98092393 -16.31564492 -26.25577963 -44.70324894 -56.0649153 -53.11167402 -50.73742525 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 320-67-2 9444 144213302 A B 5-Azacytidine NC1=NC(=O)N(C=N1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O Tox21_302985 -NCGC00256643-01 196707065 tox21-ror-cho-viability-p1 set1 4 0.9423816637 16.73759924 -10.73759924 6 0.2 0.4882509995 0.1901942437 -9.59716159 -9.25687247 -5.39885502 0.048019 -9.7813327 -3.72109526 -4.98955973 -0.47205026 -7.59448117 -3.88144219 0.36901189 -0.28912191 -3.18087516 -0.60613256 3.68302647 5.891E-10 1.317E-9 2.9459999999E-9 6.587E-9 1.4729999999E-8 3.293E-8 7.3639999999E-8 1.647E-7 3.682E-7 8.233E-7 0.0000018409999999 0.000004117 0.0000092049999999 0.000020579999999 0.00004602 13446-18-9 202877 144212781 Magnesium dinitrate hexahydrate O.[Mg+2].O.O.O.O.O.[O-][N+]([O-])=O.[O-][N+]([O-])=O Tox21_302464 -NCGC00257219-01 196707066 tox21-ror-cho-viability-p1 set1 4 0.7695882154 4.7750661159 -1.7750661159 3 3.5117481694 0.3980914976 0.2932627132 -2.27417417 -2.33461491 -0.33410284 -3.14588843 -2.2391712 -1.29592747 -0.16287507 0.19025417 -1.02813715 8.70228199 0.35219716 0.05107319 6.24760737 -0.44228073 -0.39054914 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 930-69-8 4110039 144213419 Z F Sodium benzenethiolate [Na+].[S-]c1ccccc1 Tox21_303102 -NCGC00259528-01 196705648 tox21-ror-cho-viability-p1 set1 -2.2 33.5262156045 -37.0601744051 -1.5 -38.5601744051 1.4787409999 0.8819330198 0.0007297645 -0.88185364 3.23850022 -10.69663668 0.21118567 1.14621608 0.31332239 1.01094513 -0.73176128 -3.85358527 -4.64431344 -7.46131851 -7.08979926 -11.78542549 -21.71493071 -35.70386519 1.272E-9 2.8449999999E-9 6.361E-9 1.422E-8 3.181E-8 7.112E-8 1.59E-7 3.556E-7 7.951E-7 0.000001778 0.000003976 0.00000889 0.00001988 0.00004445 0.00009939 1260-17-9 10255083 144209177 A A Carminic acid O[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)c4c(O)c3C(=O)c2c(C)c(C(=O)O)c(O)cc2C(=O)c3c(O)c4O Tox21_201979 -NCGC00015708-15 196704826 tox21-ror-cho-viability-p1 set1 4 -1.14018743 -0.49091492 -0.38470108 -5.48432665 -1.37206672 0.38798956 -1.74013716 1.73441375 -0.33811473 -0.22743146 0.26728339 -0.51021669 -0.62172742 -2.5203105 -8.01597172 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10262-69-8 4011 170464778 A Maprotiline hydrochloride CNCCCC24CCC(c1ccccc12)c3ccccc34 Tox21_110200_1 -NCGC00015730-11 196704831 tox21-ror-cho-viability-p1 set1 4 3.12912313 3.81228454 1.88832062 1.3516135 1.31315069 5.79386985 2.28508829 0.91362967 4.10948014 1.5686316 2.59923341 -0.98209143 2.18492569 1.5357876 2.92368301 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 114-80-7 8246 170465765 F Neostigmine bromide [Br-].O=C(Oc1cccc(c1)[N+](C)(C)C)N(C)C Tox21_112037_1 -NCGC00091861-07 196705239 tox21-ror-cho-viability-p1 set1 4 0.55884442 -0.91891665 -3.95935413 -1.27014364 -1.25858677 -0.33973856 -4.21107631 -9.04891168 -5.61075484 -2.86855103 -3.57439464 -3.65259918 -2.01534931 0.16504189 1.49748874 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4342-03-4 5281007 170464655 A Dacarbazine CN(C)/N=N/c1ncnc1C(N)=O Tox21_111171_1 -NCGC00259677-01 196705653 tox21-ror-cho-viability-p1 set1 -3 68.729149849 -45.2738505064 -3.5 -48.7738505064 4.4494702849 0.8452927402 0.002592974 -1.73963687 -3.32600829 -10.05172415 -12.26312642 -0.85178178 -3.00376341 0.34192772 0.54319197 -1.74240859 0 -0.09579305 -8.41674303 -5.28576986 -6.52794405 -39.22261402 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.61E-8 1.4779999999E-7 3.305E-7 7.3899999999E-7 0.0000016529999999 0.0000036949999999 0.000008263 0.00001848 0.00004131 0.000092379999999 6807-17-6 81259 144209326 A A 4,4'-(4-Methylpentane-2,2-diyl)diphenol Oc1ccc(cc1)C(C)(CC(C)C)c2ccc(O)cc2 Tox21_202128 -NCGC00259254-01 196705656 tox21-ror-cho-viability-p1 set1 -2.4 48.7553235558 -41.6516481359 1.8324277539 -39.819220382 1.3437170999 0.7560352403 0.0177108673 -1.72388164 -1.37924894 2.79508933 3.41065496 0.4008241 4.63787858 1.42288528 0.02398958 1.69351886 11.96601568 -2.26992546 -13.08336559 -1.27593822 -14.33045365 -29.70970678 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.961E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.000003701 0.000008275 0.0000185 0.00004137 0.000092519999999 379-79-3 9787 144208903 D Ergotamine D-tartrate O=C(O)[C@H](O)[C@@H](O)C(=O)O.CN2C[C@@H](C=C1c3cccc4ncc(C[C@H]12)c34)C(=O)N[C@]5(C)O[C@]8(O)N(C5=O)[C@@H](Cc6ccccc6)C(=O)N7CCC[C@H]78.CN2C[C@@H](C=C1c3cccc4ncc(C[C@H]12)c34)C(=O)N[C@]8(C)O[C@]7(O)N([C@@H](Cc5ccccc5)C(=O)N6CCC[C@H]67)C8=O Tox21_201705 -NCGC00258851-01 196706058 tox21-ror-cho-viability-p1 set1 4 62.3136254723 14.400854336 -10.400854336 4 4.9549173134 0.7018257208 0.0377594428 -9.17152221 -9.45901144 -9.7959815 -10.86657516 -9.91716625 -8.31835112 -9.72440069 -9.56670498 -9.72712714 -9.58395673 -16.58404528 -7.96639692 -13.4201436 -8.81003631 2.31476553 1.1989999999E-9 2.6809999999E-9 5.995E-9 1.34E-8 2.9969999999E-8 6.7019999999E-8 1.4989999999E-7 3.351E-7 7.493E-7 0.000001676 0.000003747 0.000008378 0.00001873 0.00004189 0.00009367 97-65-4 811 144208497 A A Methylenebutanedioic acid O=C(O)C(=C)CC(=O)O Tox21_201299 -NCGC00163919-02 196706486 tox21-ror-cho-viability-p1 set1 4 3.37518387 3.88005963 1.01434857 5.05860879 3.71538332 3.61972266 2.96292279 1.58332382 3.81174304 7.02513497 -2.69802302 0.37297536 -0.01849223 0.84810854 1.53925438 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00259009-01 196706890 tox21-ror-cho-viability-p1 set1 4 3.81664789 0.39134589 1.94046103 2.87962084 4.73860639 1.06929588 3.36032534 1.1782574 2.22800866 0 -1.8470358 -0.48751783 -3.54488308 1.11852049 0.29619164 1.1989999999E-9 2.6809999999E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.7019999999E-8 1.4989999999E-7 3.351E-7 7.493E-7 0.000001675 0.000003746 0.000008377 0.00001873 0.00004189 0.00009366 103-33-3 2272 144208656 I Azobenzene N(=N/c1ccccc1)\c2ccccc2 Tox21_201458 -NCGC00259105-01 196706895 tox21-ror-cho-viability-p1 set1 4 6.851987566 8.6402947359 -7.1402947359 1.5 4.9549173134 0.3713876505 0.3161351199 -9.32298658 -2.77682016 -11.48629672 -15.11691228 0.36914287 -6.29684126 -8.03525034 -9.43100048 -2.89289865 -1.92201497 -9.95382671 0.04683637 0.3846175 1.44911453 -4.41753091 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.593E-8 1.474E-7 3.297E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009214 86-29-3 6837 144208754 A A Diphenylacetonitrile N#CC(c1ccccc1)c2ccccc2 Tox21_201556 -NCGC00091044-02 196709007 tox21-ror-cho-viability-p1 set2 4 5.61479025 1.36466127 2.10604059 6.27705103 1.4763226 2.61743017 3.22659179 1.56199093 0.58157044 0.07319567 1.48139994 3.4936821 2.9688081 3.67998165 1.06740142 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00091499-05 196719257 tox21-ror-cho-viability-p1 set2 4 -1.57167878 4.93297473 4.50963944 4.85571327 -2.2793497 2.87308413 -2.28179763 2.13434648 1.98496446 -0.01120052 6.55391789 0.15271839 0.79445103 0.13570658 -0.17335416 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00257150-01 196719256 tox21-ror-cho-viability-p1 set2 4 -2.62396013 -0.41758585 -0.48617696 2.01383668 -0.18139606 4.80901804 3.51433436 7.30552657 1.80960977 2.36684931 6.67586566 4.61117308 4.47482393 1.31267424 1.25441011 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-20-6 5192 144213580 A A Decanedioic acid O=C(O)CCCCCCCCC(=O)O Tox21_303263 -NCGC00253952-01 196719653 tox21-ror-cho-viability-p1 set3 4 -8.74610503 -6.32906103 -0.74075452 1.80163019 -2.22822418 -3.5742129 3.75471292 4.22077487 1.38891676 -0.98026912 -7.79300886 1.17246635 -2.70697279 -11.27587647 4.41141844 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-80-9 289 144210473 Z Catechol Oc1ccccc1O Tox21_300153 -NCGC00254838-01 196719669 tox21-ror-cho-viability-p1 set3 1.4 0.0043277126 26.5385493519 -25.0385493519 1.5 0.3 0.7048883376 0.0360803916 -10.80130693 -21.28212446 -8.37795144 -4.89440952 -11.12576262 -5.0116105 -4.05307725 -5.76828612 -4.31979365 -3.60438634 -0.90045271 -0.24581888 -1.35765874 0.93013465 0.0282579 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-74-2 7675 144211253 F 2-(Pyridin-2-yl)ethanol OCCc1ccccn1 Tox21_300936 -NCGC00254090-01 196719676 tox21-ror-cho-viability-p1 set3 4 0.0432771257 -7.715373992 3.5 -4.215373992 4.9549173134 0.5702314561 0.1199040031 2.33538927 0.27052138 0.96049745 7.83671515 4.54178534 -4.97918643 -6.23121567 -3.15853272 -1.03353058 0.52234716 -1.13733182 -3.54791985 -4.14069906 -8.50817125 -8.51281166 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47334 24809526 144210582 A A MK-968 Fc1ccccc1[C@@H](F)CO[C@H]2CC[C@@H](CC2)NC=3NC=NC4=NN=CC=34 Tox21_300262 -NCGC00254690-01 196720085 tox21-ror-cho-viability-p1 set3 4 -1.45153665 -5.09212131 -6.76169475 8.25035767 4.52089921 -8.15958041 1.44227429 4.56516962 -0.76906898 0.41231225 -1.03875091 0.07063167 0.29480153 -1.74480743 -8.98060292 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 113-48-4 8227 144211103 I I MGK-264 CCC(CCCC)CN3C(=O)C2C1CC(C=C1)C2C3=O Tox21_300786 -NCGC00255016-01 196720088 tox21-ror-cho-viability-p1 set3 4 -3.80299276 2.15741159 4.56573248 -4.01428709 5.48406104 7.95363899 8.97939351 1.07935572 7.47552302 10.80388519 3.8801116 2.24217782 1.50953491 0.97908481 4.06551807 1.088E-9 2.432E-9 5.439E-9 1.216E-8 2.7189999999E-8 6.08E-8 1.36E-7 3.0399999999E-7 6.7979999999E-7 0.0000015199999999 0.000003399 0.000007601 0.000017 0.000037999999999 0.00008498 104-21-2 7695 144211433 A A 4-Methoxybenzyl acetate COc1ccc(COC(C)=O)cc1 Tox21_301116 -NCGC00254812-01 196720092 tox21-ror-cho-viability-p1 set3 4 13.2263881245 -15.908039104 9 -6.908039104 1.692447691 0.4688894966 0.2065536108 9.17822694 7.9081458 4.63932424 6.19183198 4.30988773 8.68489765 4.98913881 18.91093181 7.20325881 22.09094654 -0.51339578 7.11683421 -1.04486126 -3.9167318 -6.17336592 1.042E-9 2.3289999999E-9 5.2079999999E-9 1.165E-8 2.604E-8 5.8229999999E-8 1.302E-7 2.912E-7 6.511E-7 0.000001456 0.0000032549999999 0.0000072789999999 0.00001628 0.0000364 0.00008138 4574-04-3 20708 144211225 A A Myristyltrimethylammonium chlorideN,N,N-Trimethyltetradecan-1-aminium chloride [Cl-].C[N+](C)(C)CCCCCCCCCCCCCC Tox21_300908 -NCGC00255055-01 196720495 tox21-ror-cho-viability-p1 set3 4 0.216899429 -6.7130521199 6.5 -0.2130521199 4.9549173134 0.3658403275 0.3051845378 12.53412058 7.84677579 1.51254599 3.61987777 0.20305881 11.44299412 8.16482119 -2.8394978 -1.82485904 8.51289828 -0.21740751 -1.18569628 -3.0942101 3.10227595 -2.38862215 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1072-71-5 2723630 144211474 2,5-Dimercapto-1,3,4-thiadiazole Sc1nnc(S)s1 Tox21_301157 -NCGC00256988-01 196718412 tox21-ror-cho-viability-p1 set2 4 -3.39940096 -0.41801501 0.60743253 2.14358616 -6.02719466 -9.29207685 -2.62168114 -2.52576737 1.45286928 -1.07656231 -4.02223702 1.09887824 1.26744422 1.34155614 -4.96375704 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 78-40-0 6535 144213423 B A Triethyl phosphate CCOP(=O)(OCC)OCC Tox21_303106 -NCGC00025125-18 196717991 tox21-ror-cho-viability-p1 set2 -1.2 0.5955717307 -32.5386422963 -3 -35.5386422963 2.2526478767 0.9792535303 5.87E-8 -2.71731149 -5.71853787 -3.23775485 -3.70325787 -2.8250774 1.10938065 -4.25816795 -4.70484106 -11.70142635 -23.62217515 -36.67960018 -38.46170583 -32.47211923 -34.73612895 -33.07001621 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64-86-8 6167 170465011 A Colchicine CC(=O)N[C@H]2CCc3cc(OC)c(OC)c(OC)c3C1=CC=C(OC)C(=O)C=C12 Tox21_110947_1 -NCGC00090874-06 196725152 tox21-ror-cho-viability-p1 set3 4 0.026603212 -7.7269210719 5 -2.7269210719 4.9549173134 0.4530194868 0.2218800658 1.18069122 -3.11596045 9.29064835 8.72886276 8.12475652 -1.89266419 -2.33893815 -1.29229513 -7.71985523 -8.10576756 -6.71051625 0.54727721 0.19172144 0.45797846 -0.95176316 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-03-6 5794 170464741 F Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_111034_1 -NCGC00016741-09 196725139 tox21-ror-cho-viability-p1 set3 4 -1.40586807 -10.71666624 5.81883365 0.64481645 3.65617124 0.03462602 -6.22024681 -5.74091017 -10.06026057 -8.65007991 -6.63400999 -1.79375311 -0.77907449 -3.87412015 1.26687422 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 19387-91-8 5479 170465196 A Tinidazole O=S(=O)(CCn1c(cnc1C)[N+]([O-])=O)CC Tox21_110586_1 -NCGC00091650-03 196725145 tox21-ror-cho-viability-p1 set3 4 0.8634921799 7.7065717 1.2934283 9 4.4494702849 0.5950220298 0.1153373682 3.19753791 1.43872406 0.80210609 0.08500628 3.13278172 2.90625196 -1.83880975 -0.13948604 2.6718442 15.12291953 4.46411414 8.24543126 4.32968707 12.18615157 0.00566273 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00249416-01 196725151 tox21-ror-cho-viability-p1 set3 4 1.29707804 -4.17586111 -3.14724546 -2.45326282 -2.21859543 1.78337502 -0.38005203 -1.84832997 -8.3519455 -6.24211585 -1.75854635 -0.2114235 -2.20284556 -3.0966359 -2.28625587 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 114856-44-9 3047798 144206753 A D Oberadilol Clc3cc(OCC(O)CNC(C)(C)CNc1ccc(cc1)C2=NNC(=O)CC2C)c(C#N)cc3 Tox21_113202 -NCGC00319019-01 196725157 tox21-ror-cho-viability-p1 set3 -1.1 0.16785492 -66.5571138829 -1.4538833249 -68.0109972078 2.3331733767 0.9865485304 4.7E-9 -5.38567743 0 -4.65952128 -8.58908483 -2.40594316 4.35374798 -3.59799126 -34.14033129 -61.05043125 -65.64694226 -68.6559319 -68.19564161 -70.18508527 -67.22516387 -64.98189014 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 108852-90-0 11969781 170465590 B F Nemorubicin COC1CN(CCO1)C6CC(OC5C[C@@](O)(Cc4c5c(O)c3C(=O)c2c(OC)cccc2C(=O)c3c4O)C(=O)CO)OC(C)C6O Tox21_113985 -NCGC00016373-08 196725557 tox21-ror-cho-viability-p1 set3 -3 37.5780357627 -64.1196952369 4.831705479 -59.2879897579 4.9549173134 0.6452919222 0.0666711612 0.3390245 0.71590621 -0.15926012 -0.88713928 0.29315179 2.24174406 1.7423208 2.20363468 2.5302794 2.12352227 0 6.45228219 17.5421187 36.17874142 -57.187149 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 121-54-0 8478 170465473 A Benzethonium chloride [Cl-].CC(C)(C)CC(C)(C)c2ccc(OCCOCC[N+](C)(C)Cc1ccccc1)cc2 Tox21_110403_1 -NCGC00259864-01 196708727 tox21-ror-cho-viability-p1 set2 4 2.56315434 2.16757027 4.93433936 2.18525931 -1.22426028 3.12589998 0.21397303 -1.30434288 -1.53016848 3.53485519 0.67959393 1.29458077 3.44832971 2.73111673 0.99912529 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.00001844 0.000041219999999 0.00009218 22839-47-0 134601 144209513 F F Aspartame O=C(O)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC Tox21_202315 -NCGC00259987-01 196708707 tox21-ror-cho-viability-p1 set2 4 0.42632421 2.29759974 0.27620858 2.91056728 3.32367369 0.79101409 -0.83075995 -0.28045179 0.72393987 -0.43748004 3.93087912 0.50832566 -1.97657069 -0.66748665 -0.94328918 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.625E-8 1.481E-7 3.3129999999E-7 7.407E-7 0.000001656 0.000003704 0.000008281 0.00001852 0.000041409999999 0.000092589999999 1836-75-5 15787 144209636 A A Nitrofen Clc2cc(Cl)ccc2Oc1ccc(cc1)[N+]([O-])=O Tox21_202438 -NCGC00259609-01 196708711 tox21-ror-cho-viability-p1 set2 4 1.39224938 1.37145768 -0.39851553 0.64886209 0.03096036 0.39643901 0.84071804 1.28204076 -0.09139661 1.36912191 0.93518867 0.47148056 0.31062935 -0.02321016 -0.7631184 1.183E-9 2.6459999999E-9 5.916E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.395E-7 0.0000016539999999 0.0000036979999999 0.000008268 0.000018489999999 0.00004134 0.000092439999999 56-55-3 5954 144209258 A F Benz(a)anthracene c1c4ccccc4cc3c1ccc2ccccc23 Tox21_202060 -NCGC00259482-01 196708725 tox21-ror-cho-viability-p1 set2 4 -0.76471737 -0.55901921 -2.33679852 -3.77989895 -0.18548892 0.00047293 -2.70472982 -0.3764784 -0.7634012 2.61070828 -1.06943742 -0.46113321 0.83612614 1.82882245 -0.67804276 1.2229999999E-9 2.7349999999E-9 6.115E-9 1.367E-8 3.058E-8 6.837E-8 1.529E-7 3.4189999999E-7 7.6439999999E-7 0.000001709 0.000003822 0.000008547 0.000019109999999 0.000042729999999 0.000095549999999 66-25-1 6184 144209131 D Hexanal CCCCCC=O Tox21_201933 -NCGC00259967-01 196708731 tox21-ror-cho-viability-p1 set2 4 -0.26863711 -2.2922055 0.13768575 1.0073589 2.83056201 -0.04208864 0.0075621 -2.3066691 0.62148683 0.70365313 2.95290576 0.74587298 3.24762666 5.86013332 2.37535726 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003708 0.000008291 0.00001854 0.00004145 0.00009269 141-90-2 1269845 144209616 A A Thiouracil O=C1C=CNC(=S)N1 Tox21_202418 -NCGC00168342-02 196709126 tox21-ror-cho-viability-p1 set2 4 1.9213289043 3.9229619639 -3.9229619639 0 4.9549173134 0.4293875056 0.2477529139 -4.22441711 -4.33654479 -0.37091235 -9.51913497 -1.18236256 -1.60075032 -4.71115565 -3.71916262 -3.94298749 -2.69313554 1.23365698 -1.42432611 -0.97375198 0.82771709 1.01606429 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00259531-01 196709135 tox21-ror-cho-viability-p1 set2 4 -0.97614425 0.03923517 -0.97549456 -0.2259286 -0.4360286 1.53119588 -0.02317837 3.33203252 -0.86431602 -0.35343039 0.05845122 2.72746614 -0.1995082 6.9394323 2.52307084 1.166E-9 2.606E-9 5.8279999999E-9 1.303E-8 2.9139999999E-8 6.516E-8 1.457E-7 3.2579999999E-7 7.285E-7 0.000001629 0.0000036429999999 0.0000081449999999 0.00001821 0.00004073 0.00009106 100-47-0 7505 144209180 A Fns Benzonitrile N#Cc1ccccc1 Tox21_201982 -NCGC00257223-01 196707087 tox21-ror-cho-viability-p1 set1 4 7.77469146 0.62221518 2.75613777 0.06990095 0.24500352 2.76263551 4.05227333 0.00655127 0.24683235 1.34089168 2.41024334 -0.27487998 5.16275687 4.57762426 -0.46150251 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 3268-49-3 18635 144213474 F 3-(Methylthio)propanal O=CCCSC Tox21_303157 -NCGC00259493-01 196706668 tox21-ror-cho-viability-p1 set1 4 4.204777068 9.4021661879 -6.9021661879 2.5 2.09374246 0.4674740197 0.2254203837 2.17416293 -10.85695414 -15.33513849 -8.1057659 -3.35850509 -4.52196469 -7.34253162 -8.03425454 -9.69887294 -3.21037078 -3.82140927 0.86529129 2.30207817 2.37821108 -8.16068083 1.152E-9 2.575E-9 5.759E-9 1.288E-8 2.879E-8 6.438E-8 1.44E-7 3.219E-7 7.198E-7 0.00000161 0.000003599 0.000008048 0.000018 0.00004024 0.00008998 65-45-2 5147 144209142 A A Salicylamide O=C(N)c1ccccc1O Tox21_201944 -NCGC00259102-01 196706670 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -34.95015848 -3.5 -38.45015848 3.9899729863 0.6736136317 0.0508997212 -9.39058862 1.55351314 1.29254478 -9.86641595 -0.97592554 -0.50098925 -0.38961493 -1.31439802 -8.95654416 0 0.3941505 -12.05441163 -3.65128364 -5.32356261 -28.7084654 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-24-2 7642 144208751 A Z Bis(2-ethylhexyl) nonanedioate O=C(CCCCCCCC(=O)OCC(CC)CCCC)OCC(CCCC)CC Tox21_201553 -NCGC00257338-01 196707068 tox21-ror-cho-viability-p1 set1 4 -10.73160354 -5.26176318 -8.78333151 0.28317008 -1.82027165 -14.49369489 -6.85593178 -14.57561852 -22.39354346 -2.75966348 -13.4824902 -2.47457038 -13.63012578 -9.50391979 -3.55785457 3.952E-10 8.837E-10 1.976E-9 4.419E-9 9.88E-9 2.2089999999E-8 4.94E-8 1.1049999999E-7 2.47E-7 5.523E-7 0.000001235 0.000002762 0.0000061749999999 0.00001381 0.000030879999999 78473-71-9 10685477 144213860 A A Enterolactone Oc1cccc(c1)C[C@H]3C(=O)OC[C@@H]3Cc2cc(O)ccc2 Tox21_303555 -NCGC00256487-01 196707485 tox21-ror-cho-viability-p1 set1 4 27.3060203028 9.32829294 -2.82829294 6.5 4.0949729863 0.6380541714 0.0722377044 -5.5087369 -3.97131044 0.60423051 -5.86935352 -3.6703063 -4.10686091 -0.16813391 -0.06549634 -2.14990678 -6.52357745 -0.00851311 -2.0560651 -1.38641196 4.95304442 6.20684221 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77191-36-7 71157 144213342 A A Nefiracetam O=C2CCCN2CC(=O)Nc1c(C)cccc1C Tox21_303025 -NCGC00257232-01 196707487 tox21-ror-cho-viability-p1 set1 4 -2.64250763 -1.8784115 0.49730211 -1.59483355 1.16474982 -0.86201531 -1.81320797 -0.97415528 0.11843833 2.84260498 0.3354889 1.37390678 -3.63734181 -1.97741806 0.71978207 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 87-02-5 6868 144213627 A F 7-Amino-4-hydroxynaphthalene-2-sulfonic acid O=S(=O)(O)c1cc(O)c2ccc(N)cc2c1 Tox21_303310 -NCGC00259043-01 196708555 tox21-ror-cho-viability-p1 set2 4 -0.67751449 -5.30424113 -5.93592233 -2.0041171 0.16151122 -0.46645878 -1.09406272 -0.12753746 -2.53602863 -4.366781 -1.26744622 -0.49481792 -1.39873228 -0.79303191 -0.40505495 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004132 0.0000924 106-14-9 7789 144208690 A A 12-Hydroxyoctadecanoic acid O=C(O)CCCCCCCCCCC(O)CCCCCC Tox21_201492 -NCGC00256652-01 196708139 tox21-ror-cho-viability-p1 set1 4 0.28348997 -0.02639623 0.92819438 -3.86636195 -3.05232188 0.60282868 -0.50636344 5.1481816 -4.21211653 -7.15159417 -0.56171011 -4.27132444 -3.52969325 0.69863718 -0.8935217 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2478-10-6 75588 144212968 A A 4-Hydroxybutyl prop-2-enoate O=C(C=C)OCCCCO Tox21_302651 -NCGC00256977-01 196708148 tox21-ror-cho-viability-p1 set1 4 0.0021689943 -23.0752597719 14 -9.0752597719 1.752947691 0.5733077097 0.1169516914 8.72303419 0.1327081 -5.62761926 -7.06365103 -6.42786415 -12.83851402 -10.03883264 -5.21559833 -15.4553669 -8.07307655 -15.89604981 0.36818828 -11.80245052 -3.62860812 -9.00823543 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-26-2 111037 144213559 A F alpha-Terpinyl acetate CC(=O)OC(C)(C)C1CC=C(C)CC1 Tox21_303242 -NCGC00259022-01 196708553 tox21-ror-cho-viability-p1 set2 -3 62.251265086 -42.9110150447 0 -42.9110150447 4.0449729863 0.9929720134 1E-10 -0.67293949 1.63123592 1.0222249 -0.72386343 -0.36080848 -0.8667817 -0.98251717 -0.87832337 -0.57917154 -0.03303484 0.45876285 -0.74011501 -0.0786208 -6.95761666 -35.91743564 1.198E-9 2.679E-9 5.991E-9 1.34E-8 2.995E-8 6.698E-8 1.4979999999E-7 3.3489999999E-7 7.4889999999E-7 0.000001675 0.000003744 0.000008373 0.000018719999999 0.000041859999999 0.000093609999999 69-72-7 338 144208669 A A Salicylic acid OC(=O)c1ccccc1O Tox21_201471 -NCGC00260001-01 196708978 tox21-ror-cho-viability-p1 set2 4 -0.20048275 0.1283802 2.98257634 3.29455934 2.69921477 -0.10381885 -0.8410969 0.32569154 0.19816264 -1.03519581 -0.31814821 2.50566832 -0.09381985 6.03834677 6.91502649 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.0000036659999999 0.000008198 0.00001833 0.00004099 0.000091659999999 111-65-9 356 144209650 D Octane CCCCCCCC Tox21_202452 -NCGC00259362-01 196708980 tox21-ror-cho-viability-p1 set2 4 -0.14499957 -0.60972158 1.49137564 0.27941204 -2.38450107 -0.6979882 -1.4064228 -0.25902288 0.30173583 0.52083007 0.29959522 0.31202575 -1.90527974 3.1333085 0.80618728 1.204E-9 2.693E-9 6.021E-9 1.346E-8 3.011E-8 6.732E-8 1.5049999999E-7 3.366E-7 7.527E-7 0.000001683 0.000003763 0.0000084149999999 0.00001882 0.00004208 0.00009408 121-69-7 949 144209011 AC Bc N,N-Dimethylaniline CN(C)c1ccccc1 Tox21_201813 -NCGC00255621-01 196710657 tox21-ror-cho-viability-p1 set2 4 30.5132723993 -7.55695708 0.5 -7.05695708 4.9549173134 0.7488446843 0.0205066882 3.20377732 3.53728501 0.57277671 -0.72879485 0.07215797 -0.72662482 -0.6119155 -0.7998042 -0.10942411 0.10970473 0.05595898 -0.32044329 1.16963911 -5.72077739 -6.7141309 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 84-54-8 6773 144212361 A A 2-Methylanthraquinone Cc2ccc3C(=O)c1ccccc1C(=O)c3c2 Tox21_302044 -NCGC00256102-01 196710257 tox21-ror-cho-viability-p1 set2 4 -1.73436906 -1.21273824 -1.1028665 -0.40563072 -3.1248037 1.09119423 -4.28389877 -4.61073053 -2.61822126 -0.50733363 0.69957515 -0.75395468 -2.98957466 0.54078253 -1.21434336 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-96-8 66793 144211913 A A 4-Methoxy-2-nitroaniline COc1ccc(N)c(c1)[N+]([O-])=O Tox21_301596 -NCGC00255311-01 196710258 tox21-ror-cho-viability-p1 set2 4 8.30012108 -0.30042173 2.54909216 -0.06699186 -0.4327607 3.19711644 -0.12168272 2.13783366 0.69385542 -0.22749338 0.9518659 1.10263965 2.20786209 0.91868606 6.77513742 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2781-11-5 17722 144212211 D Diethyl((diethanolamino)methyl)phosphonate O=P(CN(CCO)CCO)(OCC)OCC Tox21_301894 -NCGC00255374-01 196710265 tox21-ror-cho-viability-p1 set2 4 2.48212093 -4.09703934 -1.9233911 -3.71556434 -2.4917652 -2.92167591 -0.82597536 -2.85315887 0.30521024 -3.05350659 -2.84542794 -5.04662558 -6.16561594 -1.75704822 -2.94121659 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 143390-89-0 6112114 144212568 A A Kresoxim-methyl O=C(OC)\C(=N\OC)c2ccccc2COc1ccccc1C Tox21_302251 -NCGC00255766-01 196710663 tox21-ror-cho-viability-p1 set2 -1.3 1.9331181962 -57.8801040654 -3.882377815 -61.7624818804 4.9549173134 0.9798007162 0.744364265 -5.2952346 -8.30422372 -0.38444432 -3.65194063 -3.19425576 -2.24323784 -7.37231825 -1.95843922 -4.97281493 -18.48637535 -64.59489063 -40.52715901 19.05778974 -19.14098497 -57.57643212 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4986-89-4 62556 144212002 A Ac Pentaerythritol tetraacrylate O=C(C=C)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C Tox21_301685 -NCGC00255969-01 196710675 tox21-ror-cho-viability-p1 set2 -1.1 27.3060203028 -83.5341074289 2.0713600875 -81.4627473414 4.9549173134 0.9828653909 1.94E-8 0.38391905 3.11774182 0.62696709 8.70735968 6.41033477 3.42571355 2.34930843 0.31411041 2.04786745 -0.84957077 0.14210167 -1.47847138 -5.88705483 -79.86543857 -76.40016122 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 30007-47-7 1807 144211905 F A 5-Bromo-5-nitro-1,3-dioxane O=[N+]([O-])C1(Br)COCOC1 Tox21_301588 -NCGC00255456-01 196711090 tox21-ror-cho-viability-p1 set2 4 0.55699635 1.70150128 -0.10238698 -3.66254261 -7.56359317 -3.3738632 -3.61515007 -3.07471265 -2.43397981 1.05965535 -1.56174872 1.19357335 1.95369853 2.19927734 -2.6451197 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 595-33-5 11683 144212677 A A Megestrol acetate CC(=O)[C@@]3(OC(C)=O)CC[C@H]2[C@@H]4C=C(C)C1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_302360 -NCGC00254511-01 196719701 tox21-ror-cho-viability-p1 set3 4 0.2984929481 6.4412924079 -0.9412924079 5.5 4.9549173134 0.3386398225 0.3312284882 -6.39687239 -2.86083694 2.06144699 9.36461496 2.65127784 -3.31763288 -7.03441034 -3.27228153 5.10625699 4.82988832 5.72564791 -0.67879156 9.32090481 8.36065765 3.40372239 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1120-01-0 23695542 144210699 A Ac Sodium hexyldecyl sulfate [Na+].[O-]S(=O)(=O)OCCCCCCCCCCCCCCCC Tox21_300381 -NCGC00095748-04 196722534 tox21-ror-cho-viability-p1 set3 4 0.0018833632 -22.9190772119 20 -2.9190772119 0.5 0.6685240216 0.0644068142 13.55335166 10.06601388 6.4272381 -0.72140348 4.8697969 4.67369892 -0.69281005 3.67759844 -4.05546047 -1.94515228 -4.83485626 1.85314637 -9.09923101 0.74573184 6.19104822 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 544-62-7 3681 170465730 F 3-(Octadecyloxy)-1,2-propanediol OC(CO)COCCCCCCCCCCCCCCCCCC Tox21_111515_1 -NCGC00090910-03 196719286 tox21-ror-cho-viability-p1 set2 4 -0.89394571 -0.99150967 0.91143934 1.92119456 3.52027953 5.7928091 -1.35256876 3.54488959 2.43620258 0.62725976 3.78939327 2.77299017 3.19103336 0.1386306 1.2488777 1.227E-9 2.7439999999E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008574 0.00001917 0.000042869999999 0.00009586 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00254665-01 196719687 tox21-ror-cho-viability-p1 set3 4 -7.4667335 -10.41249087 -6.65225626 -10.6286839 -2.94031705 -8.36831042 -7.06040172 -5.42743646 -6.00483964 -6.22598471 -2.58463553 -4.63741884 -5.04342824 -8.57703448 -5.3964374 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85509-19-9 73675 144211078 A A Flusilazole C[Si](Cn1cncn1)(c2ccc(F)cc2)c3ccc(F)cc3 Tox21_300761 -NCGC00090750-04 196719698 tox21-ror-cho-viability-p1 set3 -3 15.3553036427 -125.0307816209 3.2041785953 -121.8266030256 3.9899729863 0.9044739484 0.0008731018 -1.69359661 -0.86224028 -0.1761417 -0.40470306 14.5130721 5.85294965 -3.65389854 3.02168773 0.37509356 -3.60380595 5.28998676 13.62467555 -92.29288108 0.31110565 -0.02508734 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00254614-01 196720102 tox21-ror-cho-viability-p1 set3 4 3.0637858693 -7.337488272 -1.5 -8.837488272 4.9549173134 0.5223080132 0.1595252093 -0.42905261 -3.55149313 2.39835714 -7.33717242 -0.28817203 1.69257831 -6.94305436 3.35388994 -3.45830744 1.55009559 -7.73546752 -8.25789033 -7.40686963 -6.96005515 -11.11457356 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5234-68-4 21307 144211023 A A Carboxin O=C(Nc1ccccc1)C=2SCCOC=2C Tox21_300706 -NCGC00254518-01 196720115 tox21-ror-cho-viability-p1 set3 4 0.0030419888 20.5 -3.5 17 0.8999999999 0.6187199669 0.0972932045 1.9513027 5.86102916 13.6379346 7.89363623 14.42565809 11.88827422 24.04980301 18.90195712 19.84288295 14.53539824 16.37536102 18.33142745 10.47521489 17.8413618 -2.60509354 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.0000036659999999 0.000008198 0.00001833 0.00004099 0.000091659999999 4291-63-8 20279 144210913 A A Cladribine Nc3nc(Cl)nc2c3ncn2[C@H]1C[C@H](O)[C@@H](CO)O1 Tox21_300596 -NCGC00254305-01 196720516 tox21-ror-cho-viability-p1 set3 4 20.7668542327 -13.22692584 -2 -15.22692584 4.9549173134 0.5795795669 0.1121853832 -2.14101985 -7.58910707 1.03054966 1.44904129 -0.48924076 -2.1599578 -5.63298576 2.15894086 3.64628394 -7.76542771 -7.55356936 3.55325544 -6.49085464 -17.2724382 -13.01237548 1.1379999999E-9 2.546E-9 5.692E-9 1.2729999999E-8 2.8459999999E-8 6.3639999999E-8 1.423E-7 3.182E-7 7.115E-7 0.0000015909999999 0.0000035579999999 0.000007955 0.000017789999999 0.00003978 0.00008894 4151-50-2 77797 144210695 Sulfluramid FC(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)NCC Tox21_300377 -NCGC00254550-01 196720517 tox21-ror-cho-viability-p1 set3 4 6.1130564862 -10.1800067 11 0.8199933 3.5722481694 0.3857142916 0.2855121345 3.73374258 2.48477056 12.25187539 6.84793947 12.17936581 13.41167754 6.98616123 20.83006253 8.75107144 21.89757129 7.37901357 4.11060624 -0.56667225 2.78498324 -0.0043906 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-48-8 5125 144210959 A Ac Tribufos CCCCSP(=O)(SCCCC)SCCCC Tox21_300642 -NCGC00091632-02 196720519 tox21-ror-cho-viability-p1 set3 4 0.0544826733 -6.692481096 7 0.307518904 4.9549173134 0.6565920145 0.060983289 6.07580632 1.45054195 10.00874884 7.27188026 9.09436737 1.81288133 1.65415832 2.26036216 -0.55881624 3.15182961 0.08593171 0.07519325 -0.06753151 -1.82706758 -1.60813009 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00253953-01 196720533 tox21-ror-cho-viability-p1 set3 4 -4.07326508 -6.64910769 3.1087688 -10.79609483 1.54494826 3.97760077 4.47327504 -11.42796056 3.09198815 3.17404632 -15.428065 6.01846344 3.48714354 -9.31112397 -8.20651108 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-83-2 8449 144210360 A A 2,4-Dichlorophenol Clc1cc(Cl)c(O)cc1 Tox21_300040 -NCGC00259055-01 196720929 tox21-ror-cho-viability-p1 set3 4 -8.08042502 -7.6681547 -7.75086093 1.13761786 -6.09519669 -3.073811 -6.31854009 -5.10783098 -9.31703201 -1.63359397 -2.64427298 -3.73469791 -6.2529456 -0.82394531 -1.87565931 1.2379999999E-9 2.768E-9 6.189E-9 1.3839999999E-8 3.0949999999E-8 6.92E-8 1.547E-7 3.4599999999E-7 7.7359999999E-7 0.00000173 0.000003868 0.00000865 0.000019339999999 0.00004325 0.000096709999999 288-32-4 795 144208702 A A Imidazole c1cncn1 Tox21_201504 -NCGC00163843-03 196724814 tox21-ror-cho-viability-p1 set3 4 0.024757853 14.598882344 -8.598882344 6 0.2 0.4963033118 0.1839822182 -5.461695 0.35437246 -2.38622498 -5.49906862 0.28492386 0.5669443 0.79503028 2.66564472 -0.72102993 2.05131471 0.70848036 2.35805003 1.65819329 -0.24153921 8.16900728 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00257252-01 196726807 tox21-ror-cho-viability-p1 set3 -1.1 21.6899429044 -71.6335945893 -2.743384925 -74.3769795143 2.8472712143 0.9903374479 7E-10 -1.0457246 -3.47626497 3.01072007 -6.03939338 -4.56575559 -3.94776199 -1.903541 -1.61678177 -4.76923228 -5.96422507 -1.03379274 -7.13422733 -29.45423232 -63.73779702 -74.42312918 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17796-82-6 28777 144213901 A C N-(Cyclohexylthio)phthalimide O=C3c1ccccc1C(=O)N3SC2CCCCC2 Tox21_303596 -NCGC00091902-08 196725219 tox21-ror-cho-viability-p1 set3 4 0.0544826733 11.50140916 1.49859084 13 2.3331733767 0.6304001218 0.0889137256 2.83340782 0.90927598 -3.7511743 8.71976845 0 9.69105286 11.99590162 19.01195112 7.59263521 13.26197155 6.81258237 17.72831506 14.54821808 12.63633017 1.35414761 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00260174-01 196724404 tox21-ror-cho-viability-p1 set3 4 -4.49993952 2.98306245 -14.72438815 4.66654717 -0.66043196 0.43493755 1.29367192 5.36454262 -0.53811833 -1.32525777 4.41312356 -0.571715 -1.24397127 -2.3733817 -0.4815818 1.21E-9 2.706E-9 6.051E-9 1.353E-8 3.0249999999E-8 6.765E-8 1.5129999999E-7 3.3829999999E-7 7.564E-7 0.000001691 0.000003782 0.0000084559999999 0.00001891 0.00004228 0.00009454 218151-78-1 11459786 144209824 A 1,2-Dimethyl-3-propylimidazolium iodide [I-].Cc1[n+](C)ccn1CCC Tox21_202626 -NCGC00357267-01 196724821 tox21-ror-cho-viability-p1 set3 4 0.8634921799 8.313210644 -9.313210644 -1 3.1319983358 0.4431349781 0.2309273869 -0.42200088 -13.32319186 -9.52870541 -13.55458783 -0.26011292 -12.98681326 -16.51100887 -7.32750997 -8.63701257 2.15772305 -0.00324862 -0.68244928 -2.09200868 -2.67051661 -2.27161218 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-87-2 7962 251919824 Fns Methylcyclohexane CC1CCCCC1 Tox21_303867 -NCGC00247988-03 196725638 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -38.64077522 2.467434808 -36.173340412 4.9549173134 0.843226838 0.0027540341 3.01025248 3.34965736 6.17982164 8.81304917 -1.88497819 5.92730391 1.24087136 1.89369872 -0.57082738 -3.7376206 6.87461746 5.36552364 -3.48599623 -0.33958946 -31.83825467 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1343-78-8 10255083 170466801 A Cochineal O[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)c4c(O)c3C(=O)c2c(C)c(C(=O)O)c(O)cc2C(=O)c3c(O)c4O Tox21_111163_1 -NCGC00167438-02 196725639 tox21-ror-cho-viability-p1 set3 4 1.37783832 4.92697982 -0.43820986 -2.24665069 1.1450247 3.80129806 6.15781303 8.48039079 7.58449034 1.24121019 7.6880341 1.47650183 0.29973428 6.17297754 0.80811753 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10405-02-4 5284631 170464918 A Trospium chloride [Cl-].OC(c1ccccc1)(c2ccccc2)C(=O)O[C@@H]3C[C@@H]5CC[C@H](C3)[N+]45CCCC4 Tox21_112442_1 -NCGC00344522-01 196726046 tox21-ror-cho-viability-p1 set3 4 3.9080257 3.03868805 1.00890804 -0.78175143 0.04246734 1.72871291 3.65433963 -3.54211823 -3.94395087 2.06433444 7.69750786 -1.24254485 -0.28746592 0.11734552 -3.03222872 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 90-80-2 7027 170465327 Z Gluconolactone O[C@H]1[C@H](O)[C@@H](O)C(=O)O[C@@H]1CO Tox21_111383_1 -NCGC00159393-03 196726058 tox21-ror-cho-viability-p1 set3 4 0 0 -8.428057 -1.92892779 -2.97350388 -0.92957023 1.89741301 -7.75939323 -6.02528933 -3.67887068 -0.93663396 -6.93524412 -2.55365666 3.66342083 2.39838027 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 537-55-3 68310 170465742 A N-Acetyl-L-tyrosine Oc1ccc(C[C@H](NC(C)=O)C(=O)O)cc1 Tox21_111630_1 -NCGC00016543-07 196726064 tox21-ror-cho-viability-p1 set3 1.2 0.0188336318 31.963600764 -18.963600764 13 0.4 0.8845195097 0.0006561219 -12.88633397 -9.9199003 -9.71833632 -7.32688557 -4.7287501 1.0966883 4.807999 0.68175989 1.76361158 7.93290809 6.136773 10.81864066 14.68893768 15.99162027 5.39529542 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 834-28-6 13266 170466230 A Phenformin hydrochloride Cl.N=C(N)NC(=N)NCCc1ccccc1 Tox21_111185_1 -NCGC00159407-04 196726068 tox21-ror-cho-viability-p1 set3 4 0.14942578 -2.85695912 6.30374644 -5.83741068 10.19173189 13.30227908 12.97925662 2.37152266 -2.39283746 -4.07660186 5.45045195 10.5185499 1.07846754 6.77810926 2.97968687 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77-21-4 3487 170465223 F Glutethimide CCC1(CCC(=O)NC1=O)c2ccccc2 Tox21_111641_1 -NCGC00023654-13 196726070 tox21-ror-cho-viability-p1 set3 4 0.3757803576 12.9250873959 -6.9250873959 6 0.3 0.5446794108 0.1571614168 -7.43757283 0 -7.09251155 -5.72621618 -4.98075258 2.2403736 -0.16783462 -1.92585941 -1.71533946 -3.39485221 0.98719931 3.16601934 2.95364029 3.50256937 -5.95603777 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62571-86-2 44093 170464644 F Captopril OC(=O)[C@@H]1CCCN1C(=O)[C@H](C)CS Tox21_110890_1 -NCGC00255798-01 196710406 tox21-ror-cho-viability-p1 set2 4 -7.37773562 1.86814477 -0.78891602 0.09830658 -3.02560869 -2.9756531 -2.30381934 -1.98348555 -2.93048748 -2.46643688 1.09884724 1.2072129 -0.35357164 -4.02644576 0.35369401 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1559-35-9 15260 144212188 A Ac 2-(2-Ethylhexyloxy)ethanol OCCOCC(CCCC)CC Tox21_301871 -NCGC00259616-01 196709172 tox21-ror-cho-viability-p1 set2 4 -0.23022596 2.523257 -0.16176519 -0.08787659 -1.93989885 -1.57234312 -0.05243486 -1.77219187 -1.75010341 0.30601213 -0.12466533 0.24438103 -0.46258755 -1.56764693 -1.14498926 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.3169999999E-8 2.944E-8 6.583E-8 1.472E-7 3.291E-7 7.3599999999E-7 0.0000016459999999 0.00000368 0.0000082289999999 0.000018399999999 0.000041139999999 0.000092 947-04-6 13690 144209265 A A Azacyclotridecan-2-one O=C1CCCCCCCCCCCN1 Tox21_202067 -NCGC00259294-01 196709585 tox21-ror-cho-viability-p1 set2 4 3.78676958 0.04779436 4.09901174 5.03137469 3.01959132 -0.21797149 2.86269318 2.91785045 3.16681854 0.83870541 1.86086923 2.07921985 1.06933462 4.93856217 3.32915285 1.167E-9 2.61E-9 5.836E-9 1.305E-8 2.918E-8 6.525E-8 1.459E-7 3.262E-7 7.295E-7 0.000001631 0.0000036469999999 0.000008156 0.000018239999999 0.00004078 0.00009118 102-76-1 5541 144208943 A A Triacetin O=C(C)OC(COC(C)=O)COC(=O)C Tox21_201745 -NCGC00256078-01 196709980 tox21-ror-cho-viability-p1 set2 4 -2.6061037 -4.06554576 1.01987363 1.22258639 -5.27379453 -0.11357919 -2.87913088 -1.91275712 -5.77026479 0.46936476 1.56329359 0.87604499 2.83411465 -1.78682373 -0.56187587 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 1189-08-8 70916 144211924 A A 1,3-Butyleneglycol dimethacrylate O=C(OC(C)CCOC(=O)C(=C)C)C(=C)C Tox21_301607 -NCGC00255816-01 196710414 tox21-ror-cho-viability-p1 set2 4 -3.23518483 5.87437851 3.71956531 2.26009914 2.99993247 1.41624838 0.063636 0.42934096 0.90768636 2.19198763 1.37807082 0.69300169 1.23654296 2.31476733 3.7717458 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-63-1 66623 144212395 2,4-Diaminobenzenesulfonic acid Nc1cc(N)ccc1S(O)(=O)=O Tox21_302078 -NCGC00256131-01 196710418 tox21-ror-cho-viability-p1 set2 4 -2.30964426 1.31778751 0.3122077 2.55064995 -0.2469984 0.52232419 -1.75216909 1.10835918 -1.53579406 -0.77618635 2.44299756 -1.93515715 3.31197593 3.832635 1.19583547 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 692-86-4 12729 144212022 A Ac Ethyl undec-10-enoate O=C(CCCCCCCCC=C)OCC Tox21_301705 -NCGC00091650-03 196710818 tox21-ror-cho-viability-p1 set2 -2.2 61.130564862 -37.6596015719 -3.5 -41.1596015719 3.1319983358 0.8552704229 0.0019142114 -5.02997828 -8.08538984 -2.14816493 -7.30499998 -4.95713449 -6.65874646 -4.30339354 -5.60338741 -0.07059674 -1.27166781 0.39151653 1.43631416 0.90393039 -13.39305491 -32.63300131 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00255714-01 196710819 tox21-ror-cho-viability-p1 set2 4 0.30481401 0.5965606 0.14821963 -4.32654186 3.7569311 0.89290046 -0.33440886 1.26028919 -0.00221741 0.16866338 0.14192467 -2.07965682 -3.97438215 -1.93738498 -2.56945561 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 53716-50-0 40854 144212700 A A Oxfendazole O=C(OC)Nc1nc2cc(ccc2n1)S(=O)c3ccccc3 Tox21_302383 -NCGC00255863-01 196710823 tox21-ror-cho-viability-p1 set2 4 0.0015308469 -12.071218812 12 -0.071218812 4.9549173134 0.4705858008 0.207107887 9.84628944 -1.1643147 -1.94238296 -2.55934901 0.98418969 -0.44520879 -2.52480847 3.46822003 4.48958255 -2.083332 -1.78201163 -1.30535437 4.00826965 -0.3378672 3.90268327 1.177E-9 2.631E-9 5.884E-9 1.316E-8 2.942E-8 6.578E-8 1.471E-7 3.289E-7 7.355E-7 0.000001645 0.0000036769999999 0.000008223 0.00001839 0.00004111 0.000091939999999 504-02-9 10434 144212475 A A 1,3-Cyclohexanedione O=C1CCCC(=O)C1 Tox21_302158 -NCGC00255111-01 196710825 tox21-ror-cho-viability-p1 set2 -1.1 8.6349217992 -66.4250193414 -3.538408373 -69.9634277144 1.372261 0.9802776696 4.38E-8 -4.69565476 -10.57341588 -2.46530601 -7.78855304 -5.20138926 -2.32463599 0.48802479 -2.36089637 0.51053955 -7.50355721 -21.02298693 -37.15472823 -51.27730381 -60.72252814 -69.87354418 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 129-17-9 8507 144212468 A Ac Sulfan blue [Na+].CC/[N+](CC)=C1/C=C/C(C=C1)=C(/c2ccc(cc2)N(CC)CC)c3ccc(cc3S([O-])(=O)=O)S([O-])(=O)=O Tox21_302151 -NCGC00167560-02 196712935 tox21-ror-cho-viability-p1 set2 4 -0.44837963 -0.3759956 -5.34342296 -2.16741727 -1.61815704 1.9192132 2.06417275 -3.41420985 0.01437227 -0.83562488 -3.10469736 -1.61283791 -2.09683157 -0.74402967 2.42721637 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54-96-6 5918 170466846 Z 3,4-Diaminopyridine Nc1ccncc1N Tox21_112555_1 -NCGC00178811-03 196712513 tox21-ror-cho-viability-p1 set2 4 -0.4409589 1.93877299 1.16123349 2.16416806 -0.92200496 -1.65826473 -0.36418369 -1.42150362 2.37799855 2.04718953 2.22458128 -0.28718545 -0.49879312 3.00061571 1.39557928 5.899E-11 1.319E-10 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 467-55-0 91453 170466766 F Hecogenin O=C4C[C@@H]1[C@@]6(C)CC[C@H](O)C[C@@H]6CC[C@H]1[C@@H]5C[C@@H]3O[C@]2(CC[C@@H](C)CO2)[C@@H](C)[C@@H]3[C@@]45C Tox21_110443_1 -NCGC00095150-08 196712518 tox21-ror-cho-viability-p1 set2 4 2.45630448 0.28346435 2.26596596 0.9594937 -0.2880566 3.37129642 0.53279724 3.08725839 3.04550536 -0.60278177 0.35210756 0.47434688 -0.6341743 -0.33680176 5.40511219 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 144701-48-4 65999 170464873 A Telmisartan O=C(O)c1ccccc1c2ccc(cc2)Cn3c4cc(cc(C)c4nc3CCC)c6nc5ccccc5n6C Tox21_111452_1 -NCGC00357079-01 196712340 tox21-ror-cho-viability-p1 set2 -3 27.3060203028 -41.5185537488 -4.827738808 -46.3462925568 4.9549173134 0.7426002671 0.0279448434 -4.70925939 -1.71897547 -4.19034256 -3.79464838 -2.16690363 -20.93003921 -6.39454363 -12.139482 -5.22353038 -0.78251874 -9.76830527 0 0 -48.27738808 -26.99207683 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-31-7 7746 251919843 A Hex-1-yn-3-ol C#CC(O)CCC Tox21_303791 -NCGC00259856-01 196712336 tox21-ror-cho-viability-p1 set2 -2.1 10.9702929626 -101.7097593015 -7.667879782 -109.3776390835 0.5 0.9171736544 0.000123462 -5.29733059 -26.31951176 -4.70740058 -3.42467223 -5.33698654 -19.83127851 -19.64517151 -21.89031969 -31.18645664 -36.07015212 -44.75712863 -64.32234111 -49.87775258 -79.81685778 -84.00740329 1.189E-9 2.6589999999E-9 5.945E-9 1.3289999999E-8 2.9719999999E-8 6.646E-8 1.486E-7 3.323E-7 7.4309999999E-7 0.000001662 0.0000037149999999 0.0000083079999999 0.000018579999999 0.00004154 0.000092879999999 7778-50-9 24502 144209505 Potassium dichromate [K+].[K+].[O-][Cr](=O)(=O)O[Cr]([O-])(=O)=O Tox21_202307 -NCGC00163774-04 196712337 tox21-ror-cho-viability-p1 set2 -2.4 56.4275940771 -38.733700344 3.5 -35.233700344 1.4787409999 0.8833770878 0.0006887895 0.97869059 3.39398094 4.41594591 2.34034144 2.65927838 3.63711591 5.02728107 5.70737538 5.69577351 6.1919585 1.69963463 0.13831919 -8.15928725 -5.29161721 -26.02808362 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00357249-01 196712339 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -22.5973518759 2 -20.5973518759 4.9549173134 0.7711554262 0.0139103591 2.28000834 3.03901024 -0.79364823 -0.79443728 3.5566024 0.86569409 2.9692577 7.02558841 3.01094207 -1.6742316 -0.65953945 3.57170795 2.90831512 2.021613 -14.24779323 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2832-40-8 5359815 251919645 Ac C.I. Disperse Yellow 3 Oc2ccc(C)cc2/N=N/c1ccc(NC(C)=O)cc1 Tox21_304042 -NCGC00255910-01 196710270 tox21-ror-cho-viability-p1 set2 4 1.78679476 0.87183229 -0.18705272 0.62559673 1.19130462 1.64348532 -0.51683034 0.49093126 -0.62900737 -0.15082033 0.20355365 0.81082917 -0.04806839 1.76634472 2.61532404 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1754-62-7 637520 144211701 A F Methyl (E)-cinnamate O=C(/C=C/c1ccccc1)OC Tox21_301384 -NCGC00259102-01 196709448 tox21-ror-cho-viability-p1 set2 4 61.130564862 -18.3012873319 -1.5 -19.8012873319 2.3331733767 0.8806579271 0.000784263 -3.2140474 -1.76787872 -3.65492162 0.89853952 -3.45611562 -2.53981593 -0.01864505 -0.76083077 -0.19728411 -2.16349078 -0.47363973 -1.16869565 -2.25324944 -7.05110487 -14.83440611 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-24-2 7642 144208751 A Z Bis(2-ethylhexyl) nonanedioate O=C(CCCCCCCC(=O)OCC(CC)CCCC)OCC(CCCC)CC Tox21_201553 -NCGC00255109-01 196709853 tox21-ror-cho-viability-p1 set2 -1.1 21.6899429044 -79.2378629135 -0.910391658 -80.1482545715 4.9549173134 0.983867738 1.36E-8 -2.54422136 -2.03365861 0.88063124 -9.23937496 1.0117183 -1.35105282 2.90451627 2.53786308 2.94812531 -4.81181948 0.73744383 -1.07351887 -26.09443125 -81.15579127 -76.19098907 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 35691-65-7 61948 144212268 C A 1,2-Dibromo-2,4-dicyanobutane N#CCCC(Br)(CBr)C#N Tox21_301951 -NCGC00255183-01 196709860 tox21-ror-cho-viability-p1 set2 4 -2.35785434 -1.07586363 -10.35156704 -1.91435642 -10.64277191 1.25935754 -11.02515547 -13.66817492 -2.25546958 -2.4422933 -1.79786725 -1.83792126 -1.11230146 -0.80608277 0.50841143 8.73E-11 1.9519999999E-10 4.3649999999E-10 9.76E-10 2.1819999999E-9 4.88E-9 1.091E-8 2.44E-8 5.4559999999E-8 1.2199999999E-7 2.7279999999E-7 6.1E-7 0.000001364 0.0000030499999999 0.00000682 25322-69-4 1030 144211758 CC Polypropylene glycol CC(O)CO Tox21_301441 -NCGC00255881-01 196710277 tox21-ror-cho-viability-p1 set2 4 3.17587422 -0.03555178 -0.41274792 1.33823971 -0.01965949 -0.49490801 1.55361849 0.08853398 1.44225628 0.19314836 0.04731588 1.15163717 1.19206897 0.67482711 0.2768295 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26399-36-0 33500 144211883 A A Profluralin CCCN(CC1CC1)c2c(cc(cc2[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Tox21_301566 -NCGC00255419-01 196710280 tox21-ror-cho-viability-p1 set2 4 13.6854287769 13.7327607 -4.7327607 9 0.2 0.4946849116 0.1860449255 -7.69396725 0.1901989 -1.49997482 0.2572646 -3.41451282 0.67662215 0.38645851 0.20385829 0.14050235 -1.2453639 -0.33090989 0.54561654 1.58852747 2.0594355 6.67607485 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2156-56-1 517326 144211711 Ac Sodium dichloroacetate [Na+].ClC(Cl)C([O-])=O Tox21_301394 -NCGC00255613-01 196710289 tox21-ror-cho-viability-p1 set2 -2.2 27.3060203028 -65.4080397614 1.7306357714 -63.67740399 1.752947691 0.9871776456 3.6E-9 6.42672532 0.44497423 3.4096896 2.9639605 1.21128485 1.87599185 2.81316074 -0.30125062 0.41256934 -0.61152565 0.42518537 -9.36417009 -18.67468803 -44.30631123 -58.96055925 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4638-48-6 14869 144211954 A A 5-Chlorosalicylanilide Oc2ccc(Cl)cc2C(=O)Nc1ccccc1 Tox21_301637 -NCGC00255259-01 196710684 tox21-ror-cho-viability-p1 set2 4 2.6607453 0.79374415 1.79896174 0.32346838 -0.96844824 0.89280761 0.30560535 2.04979196 -1.10949416 1.66514643 0.1493719 0.16539211 -0.78858898 -1.27511181 1.76898541 8.7889999999E-10 1.965E-9 4.394E-9 9.826E-9 2.1969999999E-8 4.913E-8 1.099E-7 2.457E-7 5.493E-7 0.000001228 0.0000027469999999 0.000006141 0.000013729999999 0.00003071 0.00006866 4680-78-8 20803 144211996 F FD&C Green No. 1 [Na+].CC/[N+](Cc1cccc(c1)S([O-])(=O)=O)=C2\C=C/C(C=C2)=C(/c3ccccc3)c4ccc(cc4)N(Cc5cccc(c5)S([O-])(=O)=O)CC Tox21_301679 -NCGC00259318-01 196721372 tox21-ror-cho-viability-p1 set3 4 -6.81974453 -4.83187353 -4.122435 0.21759937 -2.17492865 -5.04062828 -6.5906765 -6.33849936 -6.57296681 -3.69411422 -5.94682824 -5.74229392 -4.58979555 2.41725381 -0.5626201 1.234E-9 2.7599999999E-9 6.171E-9 1.38E-8 3.086E-8 6.9E-8 1.543E-7 3.45E-7 7.7139999999E-7 0.000001725 0.000003857 0.000008625 0.00001929 0.000043119999999 0.00009643 110-17-8 444972 144208967 A A Fumaric acid O=C(O)/C=C/C(=O)O Tox21_201769 -NCGC00259011-01 196722129 tox21-ror-cho-viability-p1 set3 4 27.4171332585 7.876332132 -4.376332132 3.5 4.9549173134 0.4442303696 0.2312797913 -9.06361011 -1.66079304 -3.39748763 1.90116468 -3.50575598 -8.89023504 -3.79345054 -5.86699231 -4.18317016 -1.45223537 -6.40863391 -4.44162517 -6.3632176 4.89305905 1.9045551 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004135 0.00009247 90-04-0 7000 144208658 A Bc 2-Anisidine Nc1ccccc1OC Tox21_201460 -NCGC00259797-01 196721768 tox21-ror-cho-viability-p1 set3 4 -13.41382476 -2.033389 -1.08865038 -3.92264387 1.93272127 -1.03861419 1.56091492 -3.16988079 2.05349933 -0.14091549 -13.10292831 1.79477518 -9.14133721 -5.13019799 -4.41355581 1.1449999999E-9 2.5609999999E-9 5.726E-9 1.28E-8 2.863E-8 6.4019999999E-8 1.431E-7 3.2009999999E-7 7.157E-7 0.0000016 0.000003579 0.000008002 0.00001789 0.00004001 0.00008947 12674-11-2 38037 144209446 F Aroclor 1016 Clc1cc(cc(Cl)c1)c2cccc(Cl)c2 Tox21_202248 -NCGC00259877-01 196721761 tox21-ror-cho-viability-p1 set3 4 0.0242375538 -5.410704288 0.5 -4.910704288 4.9549173134 0.3294155206 0.356546929 -5.3218345 0.58373511 -1.77307057 8.37255681 -5.55462623 -8.25892024 -5.0486132 -6.43783334 -5.46965528 -1.77228136 -5.12779124 -5.93586308 -4.31116503 -0.89964081 1.56903589 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.315E-8 2.9389999999E-8 6.573E-8 1.4699999999E-7 3.2859999999E-7 7.3489999999E-7 0.000001643 0.000003674 0.0000082159999999 0.00001837 0.00004108 0.000091859999999 11013-97-1 5284419 144209526 C C Methyl hesperidin COc1ccc(cc1OC)[C@@H]2CC(=O)c3c(O)cc(cc3O2)O[C@@H]5O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]5O Tox21_202328 -NCGC00259546-01 196721762 tox21-ror-cho-viability-p1 set3 4 0.0194688753 -5.43340734 1.5 -3.93340734 4.9549173134 0.3798658751 0.309487152 -2.79748645 1.21719036 3.99014817 3.13419156 -7.18593156 -8.27783945 -5.06799594 -6.34219106 -5.09821504 -2.07915722 -3.93040064 -2.50866049 -0.84182326 1.93383985 0.5636823 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.968E-8 6.6359999999E-8 1.484E-7 3.318E-7 7.4189999999E-7 0.000001659 0.000003709 0.000008295 0.00001855 0.000041469999999 0.00009274 25812-30-0 3463 144209195 A A Gemfibrozil O=C(O)C(C)(C)CCCOc1cc(C)ccc1C Tox21_201997 -NCGC00259474-01 196722153 tox21-ror-cho-viability-p1 set3 4 15.4646773267 23.809334512 -9.809334512 14 0.6999999999 0.8071554229 0.0068378855 -16.50777876 -5.0970141 -8.23161961 -7.00384541 -9.5472777 -12.34125332 -7.01603663 -12.57784545 -6.08721699 -2.38687307 -4.93638824 -0.71523059 4.03338021 3.03480477 11.29093506 1.187E-9 2.6549999999E-9 5.937E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.3189999999E-7 7.421E-7 0.000001659 0.0000037099999999 0.000008297 0.00001855 0.000041479999999 0.00009276 121-33-5 1183 144209123 A A 4-Hydroxy-3-methoxybenzaldehyde Oc1ccc(cc1OC)C=O Tox21_201925 -NCGC00090698-04 196722157 tox21-ror-cho-viability-p1 set3 4 0.0216899429 -5.821032792 2.5 -3.321032792 4.9549173134 0.3456781248 0.3407320379 -3.50498756 1.51212975 4.5956976 9.12078468 -7.09859438 -3.94438262 -4.72859526 -1.36135382 -7.35086066 1.39805421 -5.3743979 -3.35507526 -4.27154772 1.75093515 4.43436797 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00025286-04 196722569 tox21-ror-cho-viability-p1 set3 2.2 26.6032120037 56.3310874869 1.6746273665 58.0057148534 0.7999999999 0.8247535374 0.0045116428 -2.72078468 0.72574119 2.43547015 5.3338644 -3.21693674 0.40315158 2.0045367 0.82005075 5.41342358 8.93615939 11.27563898 19.02661397 10.16183294 18.99353506 46.08403417 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61129-30-4 6420041 170466366 A Zimeldine dihydrochloride hydrate Cl.Cl.O.Brc1ccc(cc1)C(=C\CN(C)C)\c2cccnc2 Tox21_111289_1 -NCGC00263568-01 196723396 tox21-ror-cho-viability-p1 set3 4 -0.45572213 -4.01025031 -1.06111393 1.83424861 -0.66282724 -3.59501872 -1.06077464 -0.19383977 -1.34532403 -2.72634512 -0.58348907 -1.13404452 0.59650352 1.90811688 1.79432316 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 125317-39-7 16051941 170465330 A Vinorelbine tartrate O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O.O=C(OC)[C@@]2(C[C@@H]4C=C(CC)C[N@](Cc1c3ccccc3nc12)C4)c5cc9c(cc5OC)N(C)[C@@H]6[C@]98CCN7CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]6(O)C(=O)OC)[C@H]78 Tox21_112271_1 -NCGC00018171-06 196723402 tox21-ror-cho-viability-p1 set3 4 0.026603212 10.7168962599 -7.7168962599 3 2.4063783767 0.4101322095 0.2619242577 -17.57283721 3.45827617 0.09327157 -18.09741355 -3.58972318 0 0 0 6.40773995 2.28866914 4.73643026 2.59769103 -1.40028437 2.97509916 8.52134899 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3485-62-9 19004 170464768 A Clidinium bromide [Br-].OC(c1ccccc1)(c2ccccc2)C(=O)OC4C[N+]3(C)CCC4CC3 Tox21_110535_1 -NCGC00159387-03 196723411 tox21-ror-cho-viability-p1 set3 4 0.6682424727 5.4071752159 -2.4071752159 3 4.9549173134 0.3436305313 0.3275415113 3.75125536 -7.83931268 -5.87630245 -4.30628553 1.12746778 -0.23189484 0 -0.85417981 -5.45620358 2.90591706 4.18753043 3.50629954 -1.46312183 0.77193042 6.49552707 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13081-34-0 61574 170465561 F Laureth 10s OCCOCCSCCCCCCCCCCCC Tox21_111623_1 -NCGC00165976-02 196723417 tox21-ror-cho-viability-p1 set3 2.4 33.4914596268 39.6186635081 3.2239991559 42.842662664 0.7999999999 0.512637511 0.1669295762 17.65148848 1.05182183 4.13663534 4.39790468 -0.64666737 0.64431502 6.9098376 14.19348525 6.00839848 2.76564138 11.64198297 0.91999644 15.56422738 13.02249384 34.1594732 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 111-01-3 8089 170465658 F Squalane CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C Tox21_112277_1 -NCGC00256364-01 196727377 tox21-ror-cho-viability-p1 set3 4 -1.97504147 1.74218215 -0.39270107 -4.23266142 1.1302562 0 -0.21417256 0 0 0 -0.87621433 -0.57308138 0.05787873 2.3331573 0.15386499 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-76-5 1480 144213199 A A 2,4,5-Trichlorophenoxyacetic acid Clc1cc(OCC(=O)O)c(Cl)cc1Cl Tox21_302882 -NCGC00091086-02 196727391 tox21-ror-cho-viability-p1 set3 4 0.23531183 0.29250608 2.29407824 0.71394752 1.53395733 1.03768543 2.91329781 2.69999705 3.10466704 1.70220647 -0.48815496 0.80230733 1.51437588 1.69616153 0.36124433 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00255580-01 196727795 tox21-ror-cho-viability-p1 set3 1.2 19.3311819617 52.4658471825 1.2727873325 53.738634515 2.7202212143 0.9203340395 0.000101024 3.10685628 -2.52496419 9.93714679 -0.43775341 0.21651684 -3.7589086 -2.60681912 3.10939243 -3.71206295 14.65119324 -4.0156086 5.30162007 26.10730205 46.54837191 54.15403835 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24579-73-5 32490 144211530 A A Propamocarb O=C(NCCCN(C)C)OCCC Tox21_301213 -NCGC00255648-01 196727814 tox21-ror-cho-viability-p1 set3 4 -2.16598518 -1.28579036 -2.21808754 -0.26082834 1.93649606 6.31991738 5.56107708 6.94272277 -2.71547555 -3.91647348 -1.52624198 7.30434884 -1.61945983 3.24537587 9.3761531 1.241E-9 2.775E-9 6.2049999999E-9 1.388E-8 3.1029999999E-8 6.9379999999E-8 1.5509999999E-7 3.4689999999E-7 7.7569999999E-7 0.0000017339999999 0.000003878 0.000008672 0.00001939 0.00004336 0.00009696 56-34-8 5946 144212446 A Tetraethylammonium chloride [Cl-].CC[N+](CC)(CC)CC Tox21_302129 -NCGC00255134-01 196727816 tox21-ror-cho-viability-p1 set3 4 6.1130564862 -4.046648996 1.5 -2.546648996 4.9549173134 0.3285200346 0.3438444564 -6.70554083 3.08226003 5.2757761 3.38165311 1.73971221 0.44995479 3.80338679 1.93181203 1.70185515 1.88066395 2.32444576 -2.01305936 -2.60145825 -2.92713395 -1.68020406 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 786-19-6 13081 144211743 A A Carbophenothion Clc1ccc(SCSP(=S)(OCC)OCC)cc1 Tox21_301426 -NCGC00256227-01 196728235 tox21-ror-cho-viability-p1 set3 4 1.997786 -4.50664413 -0.92065088 3.25987714 -1.59881946 2.62063154 7.0311366 7.44671439 -1.42748267 8.60446847 1.5652508 -1.26036602 -0.77225223 6.61738802 0.15829979 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2399-48-6 94232 144212045 A A Tetrahydrofurfuryl acrylate O=C(OCC1CCCO1)C=C Tox21_301728 -NCGC00091009-05 196728627 tox21-ror-cho-viability-p1 set3 4 2.64363717 -7.99980083 2.57544701 -0.33264451 -1.87417482 -0.221063 -1.9195843 2.28054338 3.70315673 4.17123479 1.16528708 1.3305995 0.53889938 3.18404277 0.5818829 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00255457-01 196728631 tox21-ror-cho-viability-p1 set3 4 -1.31288728 2.88271689 -1.63634353 5.41511864 0.8371433 4.42174797 -0.32211442 4.45353373 4.58017002 4.36512343 5.58393243 -2.70896264 2.79188306 1.29097557 -4.11618461 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5104-49-4 3394 144212670 A A Flurbiprofen Fc2cc(ccc2c1ccccc1)C(C)C(=O)O Tox21_302353 -NCGC00091086-02 196728634 tox21-ror-cho-viability-p1 set3 4 -0.12736245 -2.58430569 -2.44250622 -1.50368123 -3.83537125 -3.46749136 1.27765422 0.85609174 -2.29124837 -6.20483832 -6.22534352 -0.39162176 -1.02886249 0.07236932 -0.3083005 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00255265-01 196728635 tox21-ror-cho-viability-p1 set3 4 0.0137707669 -9.0946991519 8.5 -0.5946991519 4.9549173134 0.3110379269 0.3568496783 -1.20290409 14.23169868 10.654725 11.22534475 -3.68826716 -5.07891596 -4.91511837 3.49917129 0.50040411 -4.7656339 0.88598356 14.7513261 -3.43804218 2.37954566 -4.72945181 8.0809999999E-10 1.8069999999E-9 4.041E-9 9.035E-9 2.02E-8 4.517E-8 1.01E-7 2.2589999999E-7 5.0509999999E-7 0.000001129 0.000002525 0.000005647 0.00001263 0.00002823 0.00006313 71-63-6 441207 144212586 A Digitoxin O=C1C=C(CO1)[C@H]8CC[C@@]7(O)[C@]8(C)CC[C@H]3[C@H]7CC[C@@H]2C[C@H](CC[C@@]23C)O[C@@H]6O[C@H](C)[C@@H](O[C@H]5C[C@H](O)[C@H](O[C@H]4C[C@H](O)[C@H](O)[C@@H](C)O4)[C@@H](C)O5)[C@@H](O)C6 Tox21_302269 -NCGC00256086-01 196728300 tox21-ror-cho-viability-p1 set3 4 -0.93662393 3.27421281 3.65639196 1.49770354 -2.30705846 4.54182343 0.87742032 3.90623795 0.48395372 2.31294784 3.77966724 -2.34792469 2.1475043 0.15433214 2.379799 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 491-35-0 10285 144212146 A Ac Lepidine Cc1ccnc2ccccc12 Tox21_301829 -NCGC00255703-01 196728291 tox21-ror-cho-viability-p1 set3 4 0.0086349218 21.5111463959 -5.5111463959 16 0.6999999999 0.8190085962 0.0075266268 -2.92595533 1.06134004 5.8622064 6.99568902 8.27458125 9.17597221 16.56257071 11.68456681 18.43006158 14.46610683 17.19886836 18.93253124 17.84984707 9.10467777 -3.92399273 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2657-00-3 75868 144212520 Fc Fns 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo, sodium salt [Na+].[O-]S(=O)(=O)c2cccc1c2C=C\C(=[N+]=[N-])C1=O Tox21_302203 -NCGC00163953-03 196715419 tox21-ror-cho-viability-p1 set2 -3 64.8164987557 -75.5507880821 4.9923313749 -70.5584567072 4.9549173134 0.9711574145 0.0359925426 8.59904178 4.54296572 1.75229718 3.07333532 6.69818534 -32.51924619 -0.04210225 8.05853126 7.87798548 8.00539019 7.76747142 -0.27425736 2.99760399 -3.41899147 -61.55433072 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00090942-03 196715007 tox21-ror-cho-viability-p1 set2 -2.2 61.130564862 -59.9972362902 -3.989802613 -63.9870389032 3.5117481694 0.9311195048 0.0000472102 -0.23955617 -1.18056132 -1.10813376 -1.61715437 -0.44966027 -3.22337591 -7.19194214 -4.10609741 -4.77909037 -10.88582162 -10.32452703 -5.10116002 -0.77688474 -17.02546103 -52.26290826 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00254292-01 196715013 tox21-ror-cho-viability-p1 set2 4 -4.3857267 -6.61629442 -0.49117798 -2.8495897 -5.1050757 -6.54896265 -5.79397169 1.48928747 -0.97456534 0.58096409 -2.484338 0.26982335 -3.64997123 -2.38364181 -3.13327609 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 107-21-1 174 144210954 AC A Ethylene glycol OCCO Tox21_300637 -NCGC00253955-01 196715016 tox21-ror-cho-viability-p1 set2 4 17.2289340586 6.75712434 -5.25712434 1.5 4.9549173134 0.3898623263 0.3008750886 -5.29859908 -5.42543481 -5.06119214 -3.9109441 -8.79763063 -7.33166844 -6.60832135 -3.99230082 -8.35355436 0.02314399 -1.42819137 -9.38093695 -0.98151248 1.59436258 -2.70506155 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 838-88-0 13283 144210521 A A 4,4'-Methylenebis(2-methylaniline) Cc2cc(Cc1ccc(N)c(C)c1)ccc2N Tox21_300201 -NCGC00257785-01 196715421 tox21-ror-cho-viability-p1 set2 4 1.19667084 5.14458937 -3.47171817 0.80027083 -0.11877251 -0.27007423 0.31634078 3.16769302 0.57931029 0.11413612 0.48590414 3.04467786 1.59720164 3.02741575 0.78128222 1.164E-9 2.602E-9 5.818E-9 1.301E-8 2.909E-8 6.5049999999E-8 1.4549999999E-7 3.252E-7 7.2729999999E-7 0.0000016259999999 0.000003636 0.000008131 0.00001818 0.000040659999999 0.00009091 127-48-0 5576 144207429 A A Trimethadione CN1C(=O)OC(C)(C)C1=O Tox21_200231 -NCGC00257749-01 196715426 tox21-ror-cho-viability-p1 set2 4 5.53164125 3.03536313 2.82803106 -0.39928593 5.78126023 3.61795214 1.64072589 0.54161518 1.28737313 2.01450214 3.6193669 1.2290652 2.53283535 5.00370711 1.14974605 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003707 0.0000082899999999 0.00001854 0.00004145 0.00009269 872-05-9 13381 144207393 FNS 1-Decene CCCCCCCCC=C Tox21_200195 -NCGC00257703-01 196715430 tox21-ror-cho-viability-p1 set2 4 2.33371241 1.16524915 -0.64822431 -0.9145824 3.08440621 4.06333669 -1.05108586 3.67058076 2.2362987 4.8942016 4.05290476 -0.92495872 -0.31462776 -1.32534473 4.98513899 1.2459999999E-9 2.785E-9 6.2279999999E-9 1.393E-8 3.114E-8 6.963E-8 1.557E-7 3.481E-7 7.7849999999E-7 0.000001741 0.0000038919999999 0.000008704 0.00001946 0.00004352 0.00009731 107-86-8 61020 144207347 AC F 3-Methylbut-2-enal C/C(C)=C\C=O Tox21_200149 -NCGC00163724-03 196715841 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -20.77424224 2 -18.77424224 4.0949729863 0.8923144458 0.0004724218 1.65652439 3.4684412 2.60171292 0.80823845 3.09683934 1.14582664 0.19034301 2.4861311 5.88459943 1.89497331 3.44817521 2.03619645 0.19219139 -0.13631283 -13.9785352 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00258311-01 196715856 tox21-ror-cho-viability-p1 set2 4 54.5380840886 -21.923617648 8 -13.923617648 2.6384283767 0.7318712319 0.0254890928 9.26855748 10.95282552 8.49037524 8.86621279 8.80472508 13.25873532 1.59396647 5.96301455 12.13267518 6.2337438 5.40848446 5.28761158 6.49053532 1.44405017 -9.93634804 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.0000036909999999 0.000008252 0.000018449999999 0.000041259999999 0.00009226 60-11-7 6053 144207955 A A 4-(Dimethylamino)azobenzene CN(C)c2ccc(/N=N/c1ccccc1)cc2 Tox21_200757 -NCGC00262929-01 196713378 tox21-ror-cho-viability-p1 set2 4 16.7854920005 -21.245673252 2 -19.245673252 2.2526478767 0.9215748639 0.0000939805 2.8021454 2.35302049 0.0309202 2.44737517 1.77321406 3.45438018 -1.92814036 1.35494939 2.85371327 1.78198864 3.82272951 0.06128162 0.05805487 -13.12755778 -16.45472771 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 211915-06-9 9578572 170466107 A F BIBR-1048 O=C(OCCCCCC)\N=C(\N)c1ccc(cc1)NCc3nc2cc(ccc2n3C)C(=O)N(CCC(=O)OCC)c4ccccn4 Tox21_113924 -NCGC00273481-01 196712969 tox21-ror-cho-viability-p1 set2 4 29.8492948118 -18.125629908 2.5 -15.625629908 4.9549173134 0.8816013441 0.0007497475 5.03126163 6.01686598 2.38397423 2.73340944 4.90632335 1.67588621 2.4004018 2.20346649 2.47817647 0.09768996 2.41867875 2.14545861 0.73634865 0.42345889 -13.85469159 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1553-34-0 64722 170465287 A Metixene hydrochloride Cl.CN1CCCC(C1)CC2c4ccccc4Sc3ccccc23 Tox21_110510_1 -NCGC00090698-04 196713363 tox21-ror-cho-viability-p1 set2 4 -5.4635254 -6.60010292 0.26850279 -3.02963331 -6.63609709 -2.74534378 -0.64773768 -1.84885901 -2.49225792 -4.25956085 -2.33707723 -1.98784617 -1.4054528 -2.85527578 -3.52093946 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00357000-01 196712362 tox21-ror-cho-viability-p1 set2 4 61.130564862 -40.599770276 1 -39.599770276 1.111 0.6560351222 0.0604902722 4.57152251 -1.90957806 -2.67166908 -0.26695463 -0.23034859 1.87990007 2.30769964 1.23441604 3.37101391 1.45600533 -1.21774721 -0.82689357 -19.16468338 -1.35056766 -29.66647523 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 35045-02-4 37028 251919983 A Metribuzin-DA CC(C)(C)C1=NN=C(SC)NC1=O Tox21_303904 -NCGC00357096-01 196711933 tox21-ror-cho-viability-p1 set2 4 -0.26638962 1.04269102 -0.41272788 -6.52509107 -1.21331152 0.55161396 -12.24526557 -13.34943077 -7.12091241 -1.36213377 -12.39957428 0 1.05526121 -12.01486041 -26.07540141 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 452-58-4 9956 251919901 Fns 2,3-Diaminopyridine Nc1cccnc1N Tox21_303818 -NCGC00260480-01 196711941 tox21-ror-cho-viability-p1 set2 -1.2 27.2782538257 -36.5971563899 0.9288024289 -35.668353961 4.0949729863 0.9499976639 0.0000084193 -1.25961994 -1.29380078 -2.72279789 3.14868922 -1.69057607 0.31338472 5.96478087 5.88842268 3.9343284 0.96843472 -2.03291365 0.83877884 -5.61773376 -29.8199259 -35.45917055 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 573-58-0 11313 144210132 Z F C.I. Direct Red 28 [Na+].[Na+].[O-]S(=O)(=O)c5cc(/N=N/c1ccc(cc1)c2ccc(cc2)/N=N/c3cc(c4ccccc4c3N)S([O-])(=O)=O)c(N)c6ccccc56 Tox21_202934 -NCGC00260512-01 196711944 tox21-ror-cho-viability-p1 set2 2.4 68.6593799697 35.3445387419 -1.027685054 34.3168536879 4.9549173134 0.6994561667 0.0383088614 1.05524763 0.96520489 -0.08332517 1.95984507 -0.286892 1.86740029 -0.19045043 -0.57267486 -0.27293075 0.96022993 1.23040128 -3.52608558 -17.88543031 1.13674055 27.64265917 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.00004125 0.000092249999999 20535-83-5 65275 144210164 A A O6-Methylguanine COc1nc(N)nc2ncnc12 Tox21_202966 -NCGC00260034-01 196712367 tox21-ror-cho-viability-p1 set2 2.4 77.8989325373 24.3373198961 1.6626801039 26 0.9999999999 0.7432637435 0.0217150929 -0.69776658 0.63699398 2.91305152 -0.48052069 1.31518269 4.06690523 0.68304747 5.10283095 1.27013279 4.00228283 2.56980301 3.71160337 2.34296426 6.55539518 19.82234853 1.1919999999E-9 2.6659999999E-9 5.9609999999E-9 1.333E-8 2.98E-8 6.664E-8 1.49E-7 3.332E-7 7.451E-7 0.0000016659999999 0.000003726 0.0000083309999999 0.00001863 0.000041649999999 0.000093139999999 1393-63-1 144209683 ND Annatto Tox21_202485 -NCGC00094717-06 196712766 tox21-ror-cho-viability-p1 set2 4 0.16785492 -8.786473332 -2 -10.786473332 1.4641 0.8059586852 0.0070841966 -3.67108241 -4.22752998 -0.12067688 0.04718782 -2.2487608 -1.87766204 -2.43576434 -7.69682099 -8.05579754 -9.3095747 -14.82206111 -7.30032994 -11.54778799 -9.71187566 -9.84570299 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-44-2 667490 170464985 A 6-mercaptopurine S=C2NC=Nc1ncnc12 Tox21_111158_1 -NCGC00274275-01 196712772 tox21-ror-cho-viability-p1 set2 4 1.1883218301 6.3411706959 -4.3411706959 2 3.5117481694 0.8471257801 0.0025226252 -6.95097558 -4.35816145 -3.68522646 -4.55919121 -2.02084618 -4.24544395 -3.76169906 -5.6215359 -4.16241641 -2.6764909 0.81825629 2.64549934 2.26445782 -0.08465449 3.90718907 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 73803-48-2 72187527 170466047 A A Tripamide NS(=O)(=O)c1cc(ccc1Cl)C(=O)NN3C[C@@H]4C2CC[C@@H](C2)[C@@H]4C3 Tox21_113978 -NCGC00255228-01 196710306 tox21-ror-cho-viability-p1 set2 4 19.8722916847 -16.381728744 4 -12.381728744 0.7999999999 0.7739320714 0.013252947 -2.94893166 4.97243596 4.72806368 6.04413662 6.07336009 5.88431073 2.90318611 3.62621176 0.95928939 3.16001515 0.63933329 -0.66241631 -4.84467945 -5.75601293 -8.65144062 1.097E-9 2.4529999999E-9 5.486E-9 1.2269999999E-8 2.7429999999E-8 6.133E-8 1.371E-7 3.0669999999E-7 6.857E-7 0.0000015329999999 0.0000034289999999 0.000007667 0.00001714 0.000038329999999 0.000085709999999 17372-87-1 11048 144212469 A Fns Eosin [Na+].[Na+].[O-]C(=O)c4ccccc4C=2c3cc(Br)c([O-])c(Br)c3OC=1C=2C=C(Br)C(=O)C=1Br Tox21_302152 -NCGC00256000-01 196709895 tox21-ror-cho-viability-p1 set2 4 0.0050919 -1.53729323 0.27409796 -0.54292142 -1.91123489 0.28881983 -1.02654432 0.47191867 0.20497864 -1.69445936 -0.00286695 -2.01820963 -2.59866909 -2.27637818 -7.3347904 1.22E-9 2.7279999999E-9 6.099E-9 1.3639999999E-8 3.0499999999E-8 6.819E-8 1.525E-7 3.41E-7 7.6239999999E-7 0.000001705 0.0000038119999999 0.0000085239999999 0.000019059999999 0.000042619999999 0.0000953 13031-43-1 83063 144212545 A A 4-Acetylphenyl acetate O=C(C)Oc1ccc(cc1)C(C)=O Tox21_302228 -NCGC00255525-01 196710298 tox21-ror-cho-viability-p1 set2 4 27.3060203028 -13.51407704 0.5 -13.01407704 1.59358881 0.8986910722 0.0003504736 -1.50366532 -0.6805021 -0.69610577 0.37211639 0.94024947 0.45200689 0.95583251 0.31325267 2.7500007 0.95582348 -0.60027669 -0.86897744 -5.2170482 -6.27941844 -13.3450642 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15457-05-3 27295 144211671 A A Fluorodifen [O-][N+](=O)c1ccc(cc1)Oc2ccc(cc2[N+]([O-])=O)C(F)(F)F Tox21_301354 -NCGC00256243-01 196710302 tox21-ror-cho-viability-p1 set2 4 30.6378586933 -19.53813502 1 -18.53813502 0.8999999999 0.8853600957 0.0006394387 3.70113029 0.00270743 -0.40807523 3.53271309 0.01075047 0.43022976 -0.39133905 0.29742387 -1.26821314 0.10780121 -0.35866134 -6.23402786 -5.66494792 -8.21756409 -15.44844585 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67786-14-5 23668542 144212216 Ac Acid Red 337 [Na+].FC(F)(F)c3ccccc3/N=N/c2c(N)ccc1cc(cc(O)c12)S([O-])(=O)=O Tox21_301899 -NCGC00249935-01 196698490 tox21-ror-cho-viability-p1 set1 4 -1.30684295 -0.88905241 -2.3445607 -3.78477894 -1.62568914 0.56571314 -3.87591938 -3.2036934 -7.99510896 -3.51699166 -2.42535023 -3.13462567 -1.75172058 1.2790128 1.39241096 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3738-06-5 19536 170465887 A A Phenylacetylglycine dimethylamide CN(C)C(=O)CN(C(C)=O)c1ccccc1 Tox21_113711 -NCGC00183836-01 196698081 tox21-ror-cho-viability-p1 set1 4 1.04612385 0.74783131 0.41482992 0.78769093 1.03695251 -0.02389495 -0.3136521 4.52656328 0.52432671 -0.80067045 4.78633574 -2.13932462 6.69833734 0.28912734 6.92673988 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80879-63-6 72004 144206827 A A Emiglitate O=C(OCC)c2ccc(OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)cc2 Tox21_113276 -NCGC00253685-01 196698091 tox21-ror-cho-viability-p1 set1 4 -5.29067767 3.70554766 -5.59592341 -0.85484896 -3.21918886 1.41802013 -0.10681984 -1.291718 -4.11418339 -3.9184713 1.35490003 0.02993014 1.80498287 -3.74749942 -1.56865391 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1210-35-1 14589 170466691 A A Dibenzosuberone O=C1c3ccccc3CCc2ccccc12 Tox21_113809 -NCGC00167475-02 196698489 tox21-ror-cho-viability-p1 set1 4 -0.58880751 0.90347793 0.19005875 1.85625611 2.34380358 -0.93692018 0.7649231 0.0864723 -0.95296876 2.6472968 -0.47419376 5.98264314 0.46901225 1.72894689 2.63727135 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 134-80-5 91442 170464650 A Diethylpropion hydrochloride Cl.O=C(C(C)N(CC)CC)c1ccccc1 Tox21_112479_1 -NCGC00016764-04 196698493 tox21-ror-cho-viability-p1 set1 4 -2.52343525 -0.13963998 -0.62417386 -2.05896974 -0.57864445 -0.08099014 -1.99137734 0.08872823 0.6821579 0.87630685 1.22273485 -1.79071418 -2.24321998 -0.69805311 -0.15614596 5.899E-11 1.319E-10 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 22457-89-2 2320 170465987 A Benfotiamine Nc2nc(C)ncc2CN(C=O)C(C)=C(CCOP(=O)(O)O)SC(=O)c1ccccc1 Tox21_110597_1 -NCGC00178520-03 196698508 tox21-ror-cho-viability-p1 set1 4 26.6032120037 -28.653072248 3 -25.653072248 2.3531167061 0.9275150052 0.0000621903 2.41702688 5.47318816 1.42318849 4.04148743 3.74802121 3.29193992 3.0573771 5.84798718 1.72122867 0.01212817 1.27643839 5.45993067 -0.72755088 -6.84546368 -19.71089354 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 611-75-6 5702220 170465803 A Bromhexine hydrochloride Cl.CN(Cc1cc(Br)cc(Br)c1N)C2CCCCC2 Tox21_111385_1 -NCGC00091396-05 196698510 tox21-ror-cho-viability-p1 set1 4 1.11498755 10.36268088 1.7173005 3.97695055 5.83975768 4.13018444 2.38807335 0.05651998 1.56988959 0.97552716 3.67621254 1.81739205 3.60450239 4.58114466 0.33714904 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 119-53-9 8400 170465507 F Benzoin OC(C(=O)c1ccccc1)c2ccccc2 Tox21_111126_1 -NCGC00183001-01 196697694 tox21-ror-cho-viability-p1 set1 4 -4.87731983 -2.95654052 -9.85120433 -1.42842839 -2.91789865 -8.36838726 -3.24961007 -4.21828307 -0.95663772 -0.66701794 -4.65325369 -5.97298935 -4.59644841 -3.37333233 -8.69849947 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 150683-30-0 216237 144206807 A A Tolvaptan Cc1ccccc1C(=O)Nc2ccc(c(C)c2)C(=O)N4CCCC(O)c3cc(Cl)ccc34 Tox21_113256 -NCGC00095606-02 196723433 tox21-ror-cho-viability-p1 set3 4 0.1883363179 -6.8398310559 2.5 -4.3398310559 3.5117481694 0.3927166173 0.6997993789 -42.00913994 -6.02193315 8.81819231 3.14997997 0 0.04583109 9.22449249 -0.86967195 -3.80996027 -1.45385762 -6.64118937 -7.36652588 -6.71292622 -0.32595978 8.16655829 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14073-97-3 26447 170465578 F (2S,5R)-5-Methyl-2-(propan-2-yl)cyclohexanone CC(C)[C@@H]1CC[C@@H](C)CC1=O Tox21_111510_1 -NCGC00015704-09 196723442 tox21-ror-cho-viability-p1 set3 4 26.6032120037 30.0849132241 1.9150867759 32 0.5 0.5829468693 0.109448436 3.09759195 3.65386791 -0.8827416 1.19147255 8.26199591 2.89225952 -3.82076102 -0.55915621 7.84079342 14.87232743 8.9980144 10.66561645 7.30224274 9.97680023 26.08340825 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 135-23-9 8667 170465531 A Methapyrilene hydrochloride Cl.CN(C)CCN(Cc1cccs1)c2ccccn2 Tox21_111256_1 -NCGC00274279-01 196697682 tox21-ror-cho-viability-p1 set1 4 1.50864272 6.98100052 1.99490886 2.2536704 5.40944056 2.46483883 2.33327532 0.4095224 4.24633673 -0.33464486 1.31146548 1.82321847 2.0096602 2.13013475 0.92472047 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 89371-44-8 129109 170466100 A F Imidaprilat OC(=O)C2CN(C)C(=O)N2C(=O)C(C)NC(CCc1ccccc1)C(=O)O Tox21_113982 -NCGC00159319-04 196697704 tox21-ror-cho-viability-p1 set1 4 -2.47168318 3.35202108 -2.08611404 1.64189681 1.27600696 2.11104324 0.88501503 0.90342819 -0.64234159 -3.9346424 4.02457933 5.41612107 1.81084977 1.51744442 6.5589667 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68291-97-4 5734 170465437 A Zonisamide NS(=O)(=O)Cc2noc1ccccc12 Tox21_111569_1 -NCGC00257953-01 196729900 tox21-ror-cho-viability-p1 set3 4 0.42124403 -0.17229278 -1.5074964 0.56370416 0.72482744 -0.54951469 -0.17685062 -0.7907847 0.38861741 1.34092115 0.72975728 4.20138716 3.23885528 2.59022473 2.54226286 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008241 0.000018429999999 0.00004121 0.00009214 106-46-7 4685 144207597 AC A 1,4-Dichlorobenzene Clc1ccc(Cl)cc1 Tox21_200399 -NCGC00258684-01 196729878 tox21-ror-cho-viability-p1 set3 4 1.08304824 -0.82585448 0.91725674 0.54004274 0.78296406 0.10361082 1.02794151 1.64098957 -1.17063391 -0.35972142 0.52701185 3.09673653 -3.16625558 -0.51135013 -0.39617498 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.299E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.00001844 0.00004124 0.00009222 80-52-4 6650 144208330 A A 1,8-Diamino-p-menthane CC1(N)CCC(CC1)C(C)(C)N Tox21_201132 -NCGC00258334-01 196729897 tox21-ror-cho-viability-p1 set3 4 -0.40316239 0.90674381 -7.54112947 -3.62715919 -3.71991306 -4.08441063 -6.93419934 -0.83458331 0.25792637 1.54251011 0.72506069 -0.13932978 0.22452454 1.03133071 2.42476173 1.156E-9 2.585E-9 5.78E-9 1.293E-8 2.8899999999E-8 6.463E-8 1.4449999999E-7 3.231E-7 7.225E-7 0.000001616 0.000003613 0.000008078 0.000018059999999 0.00004039 0.000090319999999 681-84-5 12682 144207978 D Tetramethyl orthosilicate CO[Si](OC)(OC)OC Tox21_200780 -NCGC00257918-01 196729899 tox21-ror-cho-viability-p1 set3 4 68.3107079272 -13.737755304 0 -13.737755304 4.9549173134 0.6786506639 0.0490364257 -1.27729232 0.85367971 0 0.39261343 2.10035731 0.17563652 -1.7804381 1.26676617 -0.35445761 0.97415699 -5.73770074 -0.39731693 3.18104164 0.04001431 -11.44812942 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004107 0.00009184 79-27-6 6588 144207562 A A 1,1,2,2-Tetrabromoethane BrC(Br)C(Br)Br Tox21_200364 -NCGC00257796-01 196730295 tox21-ror-cho-viability-p1 set3 4 0.15656514 -4.92021367 -0.63875108 -1.49186494 0.55194953 0.17818257 -6.19217816 -7.44128938 -5.81627517 -1.63699468 -1.77932812 -1.38340008 -1.06220685 2.95193792 0.96731317 1.196E-9 2.6749999999E-9 5.981E-9 1.338E-8 2.9909999999E-8 6.6879999999E-8 1.4949999999E-7 3.344E-7 7.477E-7 0.0000016719999999 0.0000037379999999 0.0000083589999999 0.00001869 0.000041799999999 0.000093459999999 112-86-7 5281116 144207440 A (13Z)-Docos-13-enoic acid O=C(O)CCCCCCCCCCC/C=C\CCCCCCCC Tox21_200242 -NCGC00258046-01 196730305 tox21-ror-cho-viability-p1 set3 4 0.5851071 -0.13225913 0.10462016 0.22895313 0.77991994 4.51788433 2.02831869 0.26287852 -0.22280656 -0.02127817 2.01667722 4.14511255 2.31543076 0.87494802 0.78364408 1.185E-9 2.6499999999E-9 5.9249999999E-9 1.325E-8 2.9629999999E-8 6.625E-8 1.481E-7 3.312E-7 7.406E-7 0.000001656 0.0000037029999999 0.000008281 0.00001852 0.0000414 0.00009258 67-48-1 6209 144207690 A Choline chloride [Cl-].C[N+](C)(C)CCO Tox21_200492 -NCGC00258489-01 196729561 tox21-ror-cho-viability-p1 set3 4 0.165304936 -4.743809048 0.5 -4.243809048 1.331 0.5102025912 0.1720390703 -0.43446679 1.08700761 0.57953426 0.63713034 0.10632263 -0.80738689 -2.01864931 -2.2544885 -2.67599117 -7.17789941 -2.66494434 -1.15687214 -9.78650754 -1.41340667 -4.98411466 1.14E-9 2.55E-9 5.7019999999E-9 1.2749999999E-8 2.851E-8 6.375E-8 1.426E-7 3.1879999999E-7 7.128E-7 0.000001594 0.000003564 0.000007969 0.00001782 0.00003985 0.000089099999999 97-61-0 7341 144208133 A A 2-Methylpentanoic acid CC(CCC)C(=O)O Tox21_200935 -NCGC00163774-04 196729550 tox21-ror-cho-viability-p1 set3 4 79.7060951866 -13.258827032 -0.5 -13.758827032 4.9549173134 0.7524100993 0.0192676578 0.41324064 -0.43100221 -1.68310454 -1.15154672 0.24305482 -2.48787062 0.00038372 -0.87048786 -1.26545486 0.72881488 1.50839451 -2.64698928 1.58559272 1.84036549 -10.63235586 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00257901-01 196729551 tox21-ror-cho-viability-p1 set3 4 -2.33787797 -5.72907276 0.78637314 -6.09700933 1.56692834 -6.2018874 -1.9644993 0 -9.17898506 -3.76694874 0 0 -8.41445376 -6.65236774 -0.52341313 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9569999999E-8 6.613E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003697 0.000008266 0.00001848 0.00004133 0.000092409999999 628-94-4 12364 144207545 A A Adipamide O=C(N)CCCCC(N)=O Tox21_200347 -NCGC00258089-01 196729552 tox21-ror-cho-viability-p1 set3 -1.1 24.2622881052 -98.7252302605 -2.8573150609 -101.5825453214 1.8851180601 0.9068553737 0.0002248833 0.25708082 -8.64227762 -0.98861083 -1.97197813 -0.32988682 0.38954992 1.5599755 -1.61040763 -2.28209533 -2.15645235 -12.25097768 -31.85821215 -18.70148253 -92.01317511 -86.69832345 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.354E-7 0.0000016439999999 0.0000036769999999 0.0000082219999999 0.000018379999999 0.00004111 0.00009192 115-17-3 8256 144207733 F Tribromoacetaldehyde BrC(Br)(Br)C=O Tox21_200535 -NCGC00258309-01 196730369 tox21-ror-cho-viability-p1 set3 4 0.49192545 -2.15515282 4.15806508 4.53031505 4.79024532 -2.43687662 -1.64534551 -2.3841481 2.41278475 0.20893007 1.32229901 -1.49868183 1.78605714 -1.20223384 0.73175039 1.177E-9 2.6319999999E-9 5.8849999999E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.0000036779999999 0.000008225 0.00001839 0.00004113 0.00009196 22888-70-6 31553 144207953 I I Silybin Oc4cc(O)cc5O[C@H](c1ccc2O[C@H](CO)[C@H](Oc2c1)c3ccc(O)c(OC)c3)[C@@H](O)C(=O)c45 Tox21_200755 -NCGC00258118-01 196730370 tox21-ror-cho-viability-p1 set3 4 6.07759615 5.6096684 -0.9192226 -0.50677364 1.15483826 2.92625768 0.30915207 1.90740375 3.33136153 1.51956987 2.06357285 0.79856102 0.78538704 2.76970274 1.08974163 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004129 0.000092319999999 149-32-6 222285 144207762 A A Erythritol OC[C@@H](O)[C@@H](O)CO Tox21_200564 -NCGC00258581-01 196730375 tox21-ror-cho-viability-p1 set3 -1.1 7.6802321654 -84.3043668864 0.5113398829 -83.7930270035 2.2481167061 0.9973063947 0 0.17161913 1.30403188 1.20554146 1.39059362 -1.67413023 -2.05848218 1.7449095 -0.26971414 1.32246354 -2.6262622 -14.53472131 -41.02774617 -75.98255822 -81.45031037 -83.14169167 1.1779999999E-9 2.633E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.00000368 0.00000823 0.000018399999999 0.00004115 0.00009201 14866-33-2 2734117 144208226 A A Tetra-N-octylammonium bromide [Br-].CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC Tox21_201028 -NCGC00163754-04 196717502 tox21-ror-cho-viability-p1 set2 4 1.6785492 6.2620711799 -3.7620711799 2.5 2.3331733767 0.7110691262 0.0339720431 -7.71839265 -3.34147701 -5.54226821 -4.03448899 -1.93415534 -3.82875412 -1.20567676 -2.27119402 -4.00395607 -5.07548203 0.97707205 0.62464783 4.23552623 2.80690324 1.0445784 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57837-19-1 42586 170466808 A Metalaxyl CC(N(C(=O)COC)c1c(C)cccc1C)C(=O)OC Tox21_112070_1 -NCGC00043225-04 196717912 tox21-ror-cho-viability-p1 set2 4 -0.74027572 -0.03662783 -0.61038415 0.10921551 2.12167979 6.24877043 0.08873458 1.07096656 2.20506019 0.56370762 0.53327291 1.27786582 -0.54443222 1.92244143 1.19057858 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 676-46-0 8736 170465632 Z Disodium 2-hydroxybutanedioate [Na+].[Na+].[O-]C(=O)C(O)CC([O-])=O Tox21_112699_1 -NCGC00253652-01 196717919 tox21-ror-cho-viability-p1 set2 4 -0.18887429 -1.26512971 3.54480536 3.49809041 2.82022398 5.63684161 4.89353164 0.84982935 0.54910813 1.4488441 0.62174443 0.69121079 -0.6081204 -1.54092508 1.00284712 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1078-19-9 14112 170466752 A A 6-Methoxy-?1-?tetralone COc2ccc1c(CCCC1=O)c2 Tox21_113778 -NCGC00254136-01 196715040 tox21-ror-cho-viability-p1 set2 -2.1 58.5289475054 -102.3358852267 1.6203908879 -100.7154943388 3.2974983358 0.996278794 0 0.02242763 0.92909229 3.15560908 -0.17957492 1.38845078 2.98930735 1.2606027 0.17240082 0 3.08462929 3.32980753 3.20748035 -0.03570883 -20.08303411 -80.46628359 1.1379999999E-9 2.546E-9 5.692E-9 1.2729999999E-8 2.8459999999E-8 6.3639999999E-8 1.423E-7 3.182E-7 7.115E-7 0.0000015909999999 0.0000035579999999 0.000007955 0.000017789999999 0.00003978 0.00008894 143-50-0 299 144210418 Kepone O=C2C1(Cl)C3(Cl)C5(Cl)C1(Cl)C4(Cl)C2(Cl)C3(Cl)C4(Cl)C5(Cl)Cl Tox21_300098 -NCGC00163906-02 196714616 tox21-ror-cho-viability-p1 set2 4 2.32419639 -0.18919902 0.19865654 -0.44369244 -1.42741879 0.32954386 0.75137176 0.14992105 1.62621879 3.39331804 1.31557788 7.01212496 3.85561076 0.22781702 2.22161149 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00015675-08 196714618 tox21-ror-cho-viability-p1 set2 4 -4.1743352 -3.30783267 -6.71351898 -2.80515364 -2.50505404 -5.53238685 -0.29214373 -2.00803253 -0.61420544 -2.36100383 -5.96933692 -4.23107825 -2.48557023 -4.50052181 -3.98136059 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00254439-01 196715038 tox21-ror-cho-viability-p1 set2 4 -0.00591498 -0.06151528 -0.18362902 -0.70555825 3.25806545 2.07400074 1.35242533 4.08820765 -0.26781049 0.90433749 0.03900361 3.45181305 5.95561306 -1.62932802 4.37190004 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 177785-47-6 462368 144210746 A A PharmaGSID_47261 O=C(O)[C@@H](N2Sc1ccccc1C2=O)[C@@H](C)CC Tox21_300428 -NCGC00258715-01 196715450 tox21-ror-cho-viability-p1 set2 4 2.43132228 2.53299492 0.79649432 -0.31991497 0.10262143 2.79095918 1.13384858 -0.2381978 3.16314549 3.89029855 3.09893089 3.16466894 2.93824771 3.5006068 8.43025546 1.188E-9 2.6549999999E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.639E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001856 0.00004149 0.00009278 620-92-8 12111 144208361 A A Bis(4-hydroxyphenyl)methane Oc2ccc(Cc1ccc(O)cc1)cc2 Tox21_201163 -NCGC00163903-03 196715458 tox21-ror-cho-viability-p1 set2 4 1.14443429 -1.34409675 0.33582427 0.17386728 -1.0079246 -1.5999136 -2.22679504 -2.56307213 0.10373996 -2.96645474 -0.60987932 -1.38589131 0.93049475 0.44857966 0.11762774 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00258579-01 196715461 tox21-ror-cho-viability-p1 set2 4 1.4229985148 3.0738938559 -0.5738938559 2.5 3.9899729863 0.3280714263 0.3454589671 -0.71409172 -0.93468224 0.32162817 0.83297339 1.2054924 -7.97824488 0.87946376 0.70208638 -1.2553369 1.59420254 2.92518948 5.26778335 0.99051948 2.00635717 1.6695991 1.219E-9 2.725E-9 6.093E-9 1.3619999999E-8 3.046E-8 6.8119999999E-8 1.5229999999E-7 3.406E-7 7.616E-7 0.000001703 0.000003808 0.000008515 0.000019039999999 0.000042579999999 0.0000952 109-99-9 8028 144208224 FNS Tetrahydrofuran C1CCCO1 Tox21_201026 -NCGC00258282-01 196715466 tox21-ror-cho-viability-p1 set2 -2.2 27.5005172729 -58.2851623533 1.5919501965 -56.6932121568 1.4780888099 0.9695077461 5.326E-7 0.00068219 0.52474904 0.55430054 0.78183485 3.26141685 5.66728111 0.78994958 -1.2076398 1.74598452 0.02941658 0.23583421 -4.93459934 -23.56706306 -30.0912889 -52.49371496 1.187E-9 2.653E-9 5.9329999999E-9 1.327E-8 2.9669999999E-8 6.633E-8 1.4829999999E-7 3.317E-7 7.416E-7 0.0000016579999999 0.000003708 0.000008292 0.00001854 0.00004146 0.000092709999999 882-33-7 13436 144207926 A Diphenyl disulfide S(Sc1ccccc1)c2ccccc2 Tox21_200728 -NCGC00257905-01 196715866 tox21-ror-cho-viability-p1 set2 4 2.99268083 -3.23865725 -4.08568916 -4.76068098 -2.5681512 -3.52742221 1.81518158 -2.49615433 -5.7677831 0.86209841 2.77447227 2.74901574 1.15538581 -11.87313699 -5.6961088 1.162E-9 2.599E-9 5.812E-9 1.2999999999E-8 2.9059999999E-8 6.4979999999E-8 1.453E-7 3.249E-7 7.265E-7 0.000001624 0.000003632 0.000008122 0.00001816 0.00004061 0.000090809999999 67634-00-8 106729 144207549 A A Prop-2-en-1-yl (3-methylbutoxy)acetate CC(C)CCOCC(=O)OCC=C Tox21_200351 -NCGC00258765-01 196715882 tox21-ror-cho-viability-p1 set2 4 1.34496693 1.15153395 -0.83266494 0.21276978 -2.01273173 -1.83536203 0.47707874 -0.65794578 -2.58340907 -1.37524544 -0.89376706 -1.27253802 -1.83917524 -2.88972823 0.96217204 1.2479999999E-9 2.791E-9 6.24E-9 1.395E-8 3.1199999999E-8 6.976E-8 1.56E-7 3.488E-7 7.7999999999E-7 0.000001744 0.0000039 0.00000872 0.0000195 0.0000436 0.0000975 142-82-5 8900 144208411 FNS Heptane CCCCCCC Tox21_201213 -NCGC00357201-01 196711565 tox21-ror-cho-viability-p1 set2 -1.1 11.8832183006 -92.2305962732 -0.07434316 -92.3049394332 2.2481167061 0.9866115064 4.6E-9 -0.39037658 0.63290359 -2.6666758 0.55975751 0.47407888 0.69337418 -0.12696953 -2.13372447 0.16467884 5.24839294 -0.0063986 -17.51039935 -29.95995776 -73.60760011 -90.49503866 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 569-64-2 11294 251919686 F Malachite green [Cl-].C/[N+](C)=C1\C=C/C(C=C1)=C(/c2ccccc2)c3ccc(cc3)N(C)C Tox21_303977 -NCGC00254700-01 196714029 tox21-ror-cho-viability-p1 set2 4 0.58670143 0.8260043 1.56103732 1.26248934 -0.22775446 2.04838538 2.14242541 0.72745697 2.23376637 0.43355861 1.98364446 -0.24151977 6.63717111 3.02905976 2.10168077 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81335-37-7 54739 144211113 A A Imazaquin CC1(N=C(NC1=O)c2nc3ccccc3cc2C(=O)O)C(C)C Tox21_300796 -NCGC00254295-01 196714034 tox21-ror-cho-viability-p1 set2 -3 48.9415526227 -77.6524345319 -2.582727704 -80.2351622359 4.9549173134 0.9880125367 2.4E-9 -3.02533198 -5.26019917 -2.40984411 -1.17837935 -4.8639888 -3.35582533 -4.77922367 -3.77043953 -1.74003125 -3.67348957 -1.27665907 -3.97916902 1.88130851 -9.11655226 -68.94596853 8.9069999999E-10 1.9919999999E-9 4.453E-9 9.9579999999E-9 2.227E-8 4.979E-8 1.113E-7 2.4899999999E-7 5.5669999999E-7 0.000001245 0.000002783 0.000006224 0.000013919999999 0.00003112 0.00006959 19774-82-4 441325 144210713 A A Amiodarone hydrochloride Cl.CCN(CC)CCOc1c(I)cc(cc1I)C(=O)c2c3ccccc3oc2CCCC Tox21_300395 -NCGC00254804-01 196714430 tox21-ror-cho-viability-p1 set2 4 -4.04694971 -0.26368101 0.31292143 -0.28289663 -4.34989618 -1.88452702 -2.24673241 -2.9324835 -0.10731584 0.25919224 -4.77744593 0.56982406 2.68388808 2.5786838 -0.34350001 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79538-32-2 5281874 144211217 A A Tefluthrin Cl\C(=C/C2C(C(=O)OCc1c(F)c(F)c(C)c(F)c1F)C2(C)C)C(F)(F)F Tox21_300900 -NCGC00260508-01 196711551 tox21-ror-cho-viability-p1 set2 4 33.5323416506 14.322299816 -0.822299816 13.5 4.9549173134 0.767615741 0.0149452995 -0.76626142 -0.85632718 -0.95115028 1.016506 -1.73282703 -1.03303553 0.41129484 -1.13680039 -0.07008356 -5.26858318 2.62244703 -1.64073326 -0.11751996 0.122509 11.04987333 5.905E-10 1.32E-9 2.952E-9 6.601E-9 1.476E-8 3.3009999999E-8 7.381E-8 1.65E-7 3.69E-7 8.252E-7 0.000001845 0.000004126 0.000009226 0.000020629999999 0.00004613 10527-16-9 82703 144210160 A F 10-Chloro-9-anthraldehyde O=Cc2c1ccccc1c(Cl)c3ccccc23 Tox21_202962 -NCGC00357039-01 196711552 tox21-ror-cho-viability-p1 set2 4 -0.23799892 -1.51326152 -5.15900005 -5.05566532 -0.67332059 -1.69255039 -3.83265825 -0.19190112 -5.22283916 -0.25638753 -1.19607099 -5.25735376 -4.11557453 -1.37777172 4.38923981 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-32-1 7799 251919845 Ac Ethyl octanoate O=C(CCCCCCC)OCC Tox21_303730 -NCGC00357128-01 196711554 tox21-ror-cho-viability-p1 set2 4 0 0.13415449 0.56415508 -16.24725504 0.96760347 -14.02490105 -9.56375442 -8.72086862 0.52527595 -15.54741721 -9.32145657 2.15876389 -14.67264074 3.21844163 6.00247823 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-98-6 6866 251919959 A 4,7-Dichloroquinoline Clc1cc2nccc(Cl)c2cc1 Tox21_303863 -NCGC00357206-01 196711960 tox21-ror-cho-viability-p1 set2 2.4 61.130564862 32.2354741361 2.2645258639 34.5 3.9294729863 0.7931742489 0.0091569981 0.40820461 -1.02956178 0.33641049 5.91698007 -0.25740058 -0.28406305 0.79744488 9.42988016 1.00698337 0.05317468 7.48066026 8.50038398 0.39251033 7.88566469 29.17808451 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 707-61-9 69722 251919937 A 2,3-Dihydro-4-methyl-1-phenyl-1H-phosphole 1-oxide O=P1(C=C(C)CC1)c2ccccc2 Tox21_303982 -NCGC00260502-01 196711964 tox21-ror-cho-viability-p1 set2 -2.4 38.3355515749 -38.278223132 1 -37.278223132 2.3331733767 0.9197616085 0.3791806468 -0.0051388 -44.51378734 -0.93850113 -1.90682221 1.11753827 0.04259992 -1.23134665 3.34597896 2.0736362 5.34497065 0.03471836 0.06630999 2.44391287 -23.95154673 -31.48185261 1.1739999999E-9 2.625E-9 5.87E-9 1.3129999999E-8 2.9349999999E-8 6.5629999999E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003669 0.000008203 0.00001834 0.00004102 0.000091709999999 2039-76-1 74867 144210154 A A 3-Acetylphenanthrene CC(=O)c2ccc3ccc1ccccc1c3c2 Tox21_202956 -NCGC00260201-01 196711966 tox21-ror-cho-viability-p1 set2 4 2.6945424339 -18.030267656 5 -13.030267656 1.4163171 0.8579043296 0.001759136 4.07501841 2.1334956 5.50472007 5.89373968 5.17123266 2.22810867 7.91189405 7.6529906 2.90348078 -4.85612704 -3.10801758 -7.64457398 -18.35855638 -8.30918622 -13.0941322 1.167E-9 2.609E-9 5.8339999999E-9 1.305E-8 2.917E-8 6.523E-8 1.459E-7 3.261E-7 7.2929999999E-7 0.000001631 0.000003646 0.000008153 0.00001823 0.00004077 0.000091159999999 61545-99-1 60196376 144209851 F F 1-Methyl-3-octylimidazolium bromide Br.CN1C=CN(CCCCCCCC)C1 Tox21_202653 -NCGC00357081-01 196711968 tox21-ror-cho-viability-p1 set2 4 -2.01874203 -8.80949685 -6.79609154 -1.2396874 -0.36534025 -3.89420617 -1.74343204 -7.27936 -24.09236949 -6.27149889 -4.04140489 0 0 -25.47329452 -12.42824736 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 239110-15-7 11159021 251919721 A Fluopicolide Clc2cccc(Cl)c2C(=O)NCc1ncc(cc1Cl)C(F)(F)F Tox21_303793 -NCGC00260211-01 196711972 tox21-ror-cho-viability-p1 set2 2.4 69.2877332643 37.2133134481 0.7866865519 38 3.5722481694 0.9340177379 0.0000377584 -0.18541328 -4.76109454 3.22894977 0.67305021 -0.10813659 -0.60478908 0.71767115 -0.68371254 0.69002198 2.96550851 0.83482116 2.83140145 2.06665514 5.66547252 28.70940969 1.19E-9 2.661E-9 5.95E-9 1.331E-8 2.975E-8 6.653E-8 1.4879999999E-7 3.326E-7 7.438E-7 0.000001663 0.000003719 0.000008316 0.00001859 0.00004158 0.00009297 886439-34-5 60196382 144209861 FNS 1-Butyl-1-methylpiperidinium tetrafluoroborate F[B-](F)(F)F.C[N+]1(CCCC)CCCCC1 Tox21_202663 -NCGC00254551-01 196698949 tox21-ror-cho-viability-p1 set1 4 30.6378586933 -9.720590372 -2.18801628 -11.908606652 3.5722481694 0.9097380573 0.0001989188 -2.72352371 -1.93487479 -2.15163196 -2.44691424 -2.56886434 -1.11479388 -2.11779727 -4.67575188 -2.94806747 -1.95342396 -0.5733469 -1.25316516 -3.65653296 -9.13351777 -12.00717221 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10094-34-5 24915 144210960 A F 1,1-Dimethyl-2-phenylethyl butanoate CCCC(=O)OC(C)(C)Cc1ccccc1 Tox21_300643 -NCGC00255450-01 196700171 tox21-ror-cho-viability-p1 set1 -1.2 15.3553036427 -39.9731858051 -3 -42.9731858051 1.4641 0.956994174 0.0000036695 -1.35580569 0.23931689 -4.88519831 -4.89257888 0.12633389 -5.91440075 -6.07160036 -6.50174185 -0.0194284 -0.38698897 -7.66317342 -15.24395487 -26.8022872 -32.6926285 -39.37362561 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2610-11-9 44135445 144211855 Ac C.I. Direct Red 81 disodium salt [Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)/N=N/c2ccc(cc2)/N=N/c3c(O)c4ccc(cc4cc3S([O-])(=O)=O)NC(=O)c5ccccc5 Tox21_301538 -NCGC00254242-01 196698955 tox21-ror-cho-viability-p1 set1 -1.1 1.7228934059 -86.9753447581 -4.384471819 -91.3598165771 3.1319983358 0.9935234124 1E-10 -4.2100499 -3.04966252 -5.45514168 -2.15005882 -1.45448874 -8.17243372 -1.89790429 -9.06000224 -11.1892366 -46.11195529 -91.5216122 -88.8177331 -92.84534205 -90.7892474 -85.79848882 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1461-22-9 15096 144210861 A Tributyltin chloride CCCC[Sn](Cl)(CCCC)CCCC Tox21_300543 -NCGC00254670-01 196698941 tox21-ror-cho-viability-p1 set1 4 2.69911997 6.25844819 0.77657519 -1.11974138 2.13590012 -1.55368984 -0.51776492 2.27350846 2.60257267 4.65872833 3.31289112 1.21667223 3.16562069 2.30626175 0.84243935 1.1699999999E-9 2.617E-9 5.851E-9 1.3079999999E-8 2.926E-8 6.542E-8 1.463E-7 3.271E-7 7.314E-7 0.0000016359999999 0.000003657 0.000008178 0.00001829 0.000040889999999 0.00009143 207386-92-3 2723649 144211083 A A 8-Hydroxyquinoline-5-sulfonic acid hydrate (1:x) O.O=S(=O)(O)c1ccc(O)c2ncccc12 Tox21_300766 -NCGC00254888-01 196698954 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -23.167892536 -1 -24.167892536 4.9549173134 0.5498198241 0.1358002006 -5.19770779 5.31300994 0.36994307 2.86736058 3.86327135 0.09773562 -1.20450133 -3.30190623 3.21116141 -7.14729698 0.01273797 -6.90171257 -6.5341277 -0.46011466 -18.47324378 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-46-6 2723622 144211303 A A N,N'-Dibutylthiourea CCCCNC(=S)NCCCC Tox21_300986 -NCGC00254466-01 196699346 tox21-ror-cho-viability-p1 set1 -1.1 9.0492685205 -84.4970502754 -4.675788126 -89.1728384014 1.692447691 0.9918327885 3E-10 -4.9823554 -5.75208407 -5.50770009 -3.49215576 -5.44144601 -4.79506058 -1.48575319 -7.40141038 -5.72801402 -5.55942021 -26.59429185 -39.88574846 -73.74184682 -84.900866 -85.41459617 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 26530-20-1 33528 144210883 A A Octhilinone O=C1C=CSN1CCCCCCCC Tox21_300566 -NCGC00254972-01 196699354 tox21-ror-cho-viability-p1 set1 4 24.2870266016 8.340585824 1.159414176 9.5 0.7999999999 0.4456161575 0.2316400454 0.32458098 3.2832131 0.73961727 1.13007007 2.8942574 0.013452 3.84038324 -4.03382152 4.15435645 0.26858735 5.28348941 0.87710019 6.37258478 5.97423204 7.27064398 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 6190-65-4 22563 144211388 A A Deethylatrazine Nc1nc(NC(C)C)nc(Cl)n1 Tox21_301071 -NCGC00253951-01 196699365 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -65.3650043785 -2.17544106 -67.5404454385 4.9549173134 0.9824105075 2.26E-8 1.16675549 -3.9169374 -0.25784742 -0.68930356 -2.16554814 -3.71377863 -2.53177722 -1.98098688 -3.24163992 -5.69620755 -1.66499786 -3.04563611 0.06295982 -4.85434236 -55.58765511 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 309-00-2 24860538 144210492 A A Aldrin ClC3=C(Cl)[C@]4(Cl)[C@@H]2[C@@H]1CC(C=C1)[C@@H]2C3(Cl)[C@@]4(Cl)Cl Tox21_300172 -NCGC00254619-01 196699763 tox21-ror-cho-viability-p1 set1 4 13.6854287769 -9.524074924 -0.5 -10.024074924 1.4641 0.5422761152 0.1428182732 -0.43381813 4.48336842 0.6332401 0 0.68952356 -5.79018998 -4.73187236 -1.44885123 -0.88298333 -0.6094061 -0.9073409 -0.54565086 -10.85339577 -5.52893147 -10.34111319 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15972-60-8 2078 144211030 A A Alachlor ClCC(=O)N(COC)c1c(cccc1CC)CC Tox21_300713 -NCGC00015060-14 196699765 tox21-ror-cho-viability-p1 set1 4 27.0562917993 13.1886244519 -0.6886244519 12.5 4.0949729863 0.9233891423 0.0000838826 -3.07385371 -0.88032915 -0.69786815 1.54612582 0.29996654 -0.22016318 -1.469804 0.17465173 -1.48330055 1.50746084 -1.79800353 -1.74498934 1.77374905 10.24432542 12.92533651 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00254894-01 196699780 tox21-ror-cho-viability-p1 set1 -2.2 61.130564862 -56.0296838052 -3.065911862 -59.0955956672 3.9294729863 0.8715860489 0.0010904076 -1.37540839 -0.12975523 -0.08580141 -2.54996904 0.51742937 -1.31632733 -0.78860346 0.58669766 0.0974407 -14.5253593 -11.58931678 -8.83675719 -1.99227714 -12.44201332 -50.07242096 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10347-81-6 71478 144211309 A A Maprotiline hydrochloride Cl.CNCCCC24CCC(c1ccccc12)c3ccccc34 Tox21_300992 -NCGC00260069-01 196724567 tox21-ror-cho-viability-p1 set3 4 0.014219473 6.6174040519 -1.6174040519 5 1.8851180601 0.429929525 0.2613474865 -6.34783671 3.36837827 -1.8849199 -0.03070157 0.69255999 5.21480347 6.46830399 7.23609102 5.5467803 6.09247239 7.86947461 7.34122559 1.8247677 -2.89645296 -10.69399036 6.2239999999E-10 1.392E-9 3.112E-9 6.959E-9 1.556E-8 3.479E-8 7.78E-8 1.7399999999E-7 3.89E-7 8.6989999999E-7 0.000001945 0.000004349 0.000009725 0.00002175 0.00004863 107-35-7 1123 144209718 F l-Taurine NCCS(=O)(=O)O Tox21_202520 -NCGC00094521-05 196724571 tox21-ror-cho-viability-p1 set3 4 30.6378586933 -14.0137184079 -1 -15.0137184079 4.9549173134 0.6393828317 0.0706997872 -0.99254811 -11.64802753 -2.29679268 -2.94396942 -1.16622312 2.02210322 1.4275615 3.17540924 0.86198666 -1.35679109 2.15254356 -2.58571364 -0.32478463 -12.58701504 -15.84476534 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00260483-01 196724587 tox21-ror-cho-viability-p1 set3 4 -3.11718503 1.29601206 4.09163547 2.47163944 -2.58532284 -11.62832082 -3.87166746 -2.79783335 -0.89947841 3.04232936 -0.67843998 -3.3529522 -8.37549735 -2.0263212 -1.26947618 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 611-09-6 4669250 144210135 A A 5-Nitroisatin [O-][N+](=O)c1cc2c(cc1)NC(=O)C2=O Tox21_202937 -NCGC00256838-01 196707189 tox21-ror-cho-viability-p1 set1 4 6.21109294 2.9283495 -1.20792532 -0.83950238 1.14352187 0.59748218 7.41553235 5.47905418 0.18391475 4.29536248 4.65618116 9.41919641 11.67978094 0.60877706 6.67533476 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67883-79-8 15461361 144212890 A Ac (3Z)-Hex-3-en-1-yl (2E)-2-methylbut-2-enoate O=C(OCC/C=C\CC)C(\C)=C\C Tox21_302573 -NCGC00091011-05 196706767 tox21-ror-cho-viability-p1 set1 4 -8.05951748 -4.54330995 -8.29541141 1.67150168 4.05875426 0.94920861 -1.68145034 -7.76005991 -1.97876512 -14.87844943 5.67339132 -5.21068231 5.01379278 0.54263869 8.13130845 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00259216-01 196706778 tox21-ror-cho-viability-p1 set1 4 4.02009997 6.13941809 -5.57284799 -14.27199379 -3.57553955 0.08872045 -0.90379607 1.74562831 -6.65231921 -7.43649003 2.55652292 -4.68208826 -1.63091733 3.83628144 -3.07758158 1.163E-9 2.601E-9 5.817E-9 1.301E-8 2.908E-8 6.503E-8 1.454E-7 3.252E-7 7.2709999999E-7 0.0000016259999999 0.0000036349999999 0.000008129 0.00001818 0.00004064 0.00009088 93-65-2 7153 144208865 A A Mecoprop Clc1cc(C)c(OC(C)C(=O)O)cc1 Tox21_201667 -NCGC00015823-17 196717531 tox21-ror-cho-viability-p1 set2 4 0.0188336318 14.496238356 -10.496238356 4 0.3 0.8202149319 0.0051560759 -7.08019863 -5.85476228 -6.55692874 -6.58110462 0.23840317 -1.04151485 -1.90435371 -1.35406871 -0.86693529 -0.2592729 0.02866248 2.31512734 0.06551272 3.32905618 3.89408527 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 36322-90-4 54676228 170464817 A Piroxicam OC=2c1ccccc1S(=O)(=O)N(C)C=2C(=O)Nc3ccccn3 Tox21_110231_1 -NCGC00160396-04 196717130 tox21-ror-cho-viability-p1 set2 4 -3.19846974 0.30670326 -2.58605555 -3.99168181 -6.95420783 -3.26652544 -2.51761141 2.11808511 -2.45407066 -3.69419441 -3.11684697 -2.35804698 -3.4515887 2.02300725 1.87537425 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 92623-83-1 56463 170466117 A Pravadoline COc1ccc(cc1)C(=O)c3c4ccccc4n(CCN2CCOCC2)c3C Tox21_111785_1 -NCGC00179240-04 196717527 tox21-ror-cho-viability-p1 set2 4 -1.42216638 -4.34148198 -4.69044648 -2.71808267 -0.44986135 -4.72603086 -1.96477415 1.07470772 -0.76576268 -4.62662652 -0.06953177 -0.22836981 0.25835042 0.83678918 -2.3188357 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79547-78-7 54384 170465061 A Levocabastine hydrochloride Cl.Fc1ccc(cc1)[C@@]2(CC[C@H](CC2)N3CC[C@@]([C@H](C)C3)(c4ccccc4)C(=O)O)C#N Tox21_110695_1 -NCGC00015520-11 196717530 tox21-ror-cho-viability-p1 set2 4 29.8492948118 11.8223789321 0.1776210679 12 4.9549173134 0.5950257064 0.1018998677 0.61307515 -1.15300762 1.4269996 -0.112274 3.22510776 1.56269478 4.18392357 1.50525458 -0.27103054 -4.01864911 -3.36785742 2.10004783 -0.2337333 1.70166942 10.68509725 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127-07-1 3657 170465025 F Hydroxyurea NC(=O)NO Tox21_110168_1 -NCGC00024503-03 196717536 tox21-ror-cho-viability-p1 set2 4 -1.08247555 0.00592632 -1.57210404 1.02452996 -0.27358413 -0.20127407 -1.86913674 2.06507316 -1.76809571 1.51645443 -2.46523161 0.9397756 1.01386805 2.08414901 0.57381354 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 56-40-6 750 170466831 F Glycine NCC(=O)O Tox21_113575_1 -NCGC00015985-08 196717541 tox21-ror-cho-viability-p1 set2 4 0.0237101377 9.44809754 -11.44809754 -2 0.6 0.7051177605 0.0449484974 -11.20674795 -8.9735886 -10.79400825 -6.65145131 -6.65566791 -7.70377591 -6.11347671 -7.0122628 -1.55097337 0.17373062 -1.86202925 -1.20865062 -0.99315214 -6.48253369 -11.30699647 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_45208 24871267 170466111 A Tracazolate hydrochloride Cl.O=C(OCC)c1c(NCCCC)c2cnn(CC)c2nc1C Tox21_110273_1 -NCGC00159472-05 196717970 tox21-ror-cho-viability-p1 set2 4 1.42873178 -0.10062168 1.10459433 -0.11907148 0.88883169 2.7571342 2.30949504 4.75787087 -1.29558106 -3.60096371 -5.14851509 -0.7455014 -3.72594115 -0.61881106 0.67751979 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 133-10-8 2724368 170465206 A Sodium 4-aminosalicylate [Na+].O=C([O-])c1ccc(N)cc1O Tox21_111696_1 -NCGC00017354-07 196717558 tox21-ror-cho-viability-p1 set2 4 -0.58690645 0.05211702 -0.14997801 2.27941559 3.31386022 3.81006862 3.86022815 5.66909119 2.16268833 3.25495104 4.18183637 3.18022255 3.20634673 0.44380498 0.59373074 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21736-83-4 64740 170465149 Z Spectinomycin dihydrochloride Cl.Cl.C[C@H]1O[C@H]2O[C@@H]3[C@@H](O)[C@H](NC)[C@H](O)[C@H](NC)[C@H]3O[C@@]2(O)C(=O)C1 Tox21_110592_1 -NCGC00178317-03 196717561 tox21-ror-cho-viability-p1 set2 4 -0.38902897 1.32834537 -0.02768966 -1.22746548 5.9105259 4.63638114 6.32930398 1.00023786 0.55164436 -3.49412585 -0.76828463 -2.93317933 -0.78647392 -1.07067175 -0.88643658 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63585-09-1 44561 170465060 F Foscarnet trisodium [Na+].[Na+].[Na+].[O-]C(=O)P([O-])([O-])=O Tox21_111364_1 -NCGC00091532-06 196717565 tox21-ror-cho-viability-p1 set2 -2.4 26.6032120037 -31.035597516 4 -27.035597516 2.5334283767 0.8969845389 0.0003752753 2.80149894 0.12341987 -0.37676978 3.79285568 6.79732234 3.58861932 4.05243205 5.98876205 2.7715947 3.43480574 7.96091984 5.35375141 0.38392985 -5.97865084 -20.86299793 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 120-32-1 8425 170465725 A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_111146_1 -NCGC00022858-08 196717975 tox21-ror-cho-viability-p1 set2 4 -0.66629851 0.32894259 0.6097912 0.29819206 3.59774234 4.61053621 3.46558323 4.65887847 0.26306652 -1.06682269 -0.54439868 0.21901886 0.92394721 -0.18172463 4.54184935 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15826-37-6 27503 170464887 F Sodium cromoglycate [Na+].[Na+].[O-]C(=O)C=4Oc3cccc(OCC(O)COc1cccc2OC(=CC(=O)c12)C([O-])=O)c3C(=O)C=4 Tox21_110863_1 -NCGC00256476-01 196718381 tox21-ror-cho-viability-p1 set2 4 -0.17760983 -0.71601474 4.05216839 3.64072362 3.46297992 0.69465542 1.7111611 2.43942613 2.85154322 3.25210406 8.79821804 7.03086018 1.78175984 7.12310008 1.20290726 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-97-4 8086 144213176 A A Diisopropanolamine CC(O)CNCC(C)O Tox21_302859 -NCGC00256806-01 196718382 tox21-ror-cho-viability-p1 set2 4 -0.72567383 1.57125023 -0.17429092 4.03219742 0.01225996 6.15130871 1.29454741 7.3718162 3.59197874 -0.6632606 1.59243665 2.01568474 2.06086667 0.73727063 3.49642647 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55418-52-5 62098 144212975 A A Piperonyl acetone CC(=O)CCc1ccc2OCOc2c1 Tox21_302658 -NCGC00095042-06 196713629 tox21-ror-cho-viability-p1 set2 4 0.47731299 -1.81756302 -2.09888258 -0.24204899 4.86762517 -0.52500537 -2.12795169 -2.01056352 1.8953235 5.4058205 3.44724454 -0.06348806 -2.64344468 2.03563167 -2.09209166 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00015970-11 196713230 tox21-ror-cho-viability-p1 set2 4 0.3757803576 -4.0977686319 -0.5 -4.5977686319 3.5117481694 0.4485075967 0.2464914001 1.64919563 -0.77360736 -1.6844478 1.26894192 -1.96588037 0.00161592 -1.17378374 -1.02409929 -1.73696476 -8.83147386 -4.49921368 -1.96015157 -0.55101025 -6.8917739 -0.26830839 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 38194-50-2 1548887 170464648 A Sulindac CS(=O)c1ccc(cc1)/C=C3\c2ccc(F)cc2C(CC(=O)O)=C3C Tox21_110270_1 -NCGC00183027-01 196713624 tox21-ror-cho-viability-p1 set2 4 -1.02951133 0.10565425 -2.31318772 -4.04573087 -2.17839382 2.71249142 -0.23789054 -3.12281855 -0.4152934 -4.09576247 0.48075303 2.4183788 -0.2249862 -0.65684978 -1.56532678 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1421-14-3 15004 144206858 A A Propanidid COc1cc(ccc1OCC(=O)N(CC)CC)CC(=O)OCCC Tox21_113307 -NCGC00091380-04 196713625 tox21-ror-cho-viability-p1 set2 4 5.48722663 3.49123487 0.23667466 3.43234526 0.74539509 2.9643514 0.74388323 0.79046232 -0.01563001 -0.69476629 -0.8605498 0.18513744 -0.34527976 6.27094184 5.476746 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00255232-01 196709905 tox21-ror-cho-viability-p1 set2 -3 28.3363545136 -40.300584316 0.42764587 -39.872938446 4.9549173134 0.7621687138 0.0160315365 -17.13708882 3.80415385 1.52505816 1.52411534 1.3909307 0.15431476 0.20678067 -0.67502103 1.93327523 -0.8505259 2.07307833 1.99425444 3.09162308 2.58763253 -36.91938745 5.1319999999E-10 1.148E-9 2.566E-9 5.738E-9 1.2829999999E-8 2.8689999999E-8 6.415E-8 1.434E-7 3.2069999999E-7 7.1719999999E-7 0.000001604 0.0000035859999999 0.000008018 0.00001793 0.00004009 59865-13-3 5284373 144212166 F Cyclosporin A C[C@H](C\C=C\C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C)C(C)C Tox21_301849 -NCGC00259381-01 196709093 tox21-ror-cho-viability-p1 set2 4 -2.22700952 1.04497862 -0.23535585 -2.06298625 0.37876169 -0.28327861 -0.26831836 -4.36346961 -1.19054067 -1.02819172 -1.21671621 -1.52790892 -1.88596909 -0.28463074 0.08264889 1.1699999999E-9 2.617E-9 5.851E-9 1.3079999999E-8 2.926E-8 6.542E-8 1.463E-7 3.271E-7 7.314E-7 0.0000016359999999 0.000003657 0.000008178 0.00001829 0.000040889999999 0.00009143 93-58-3 7150 144209030 A A Methyl benzoate COC(=O)c1ccccc1 Tox21_201832 -NCGC00258823-01 196709505 tox21-ror-cho-viability-p1 set2 4 -0.17340932 -2.97770949 -3.34036856 -3.60997215 1.58035935 -1.38793984 1.91629111 -0.08948319 -0.50883695 -4.34977264 -2.29494262 -0.68866528 -3.39551724 -2.65777869 0.14676462 1.163E-9 2.5999999999E-9 5.8149999999E-9 1.2999999999E-8 2.9069999999E-8 6.501E-8 1.454E-7 3.2509999999E-7 7.269E-7 0.000001625 0.000003634 0.000008127 0.00001817 0.00004063 0.00009086 1703-58-8 15560 144208469 A A 1,2,3,4-Butanetetracarboxylic acid OC(=O)CC(C(CC(=O)O)C(=O)O)C(=O)O Tox21_201271 -NCGC00091602-02 196709903 tox21-ror-cho-viability-p1 set2 4 -2.80306775 -1.26966207 -3.04573772 0.0849607 -3.08701272 -1.23582561 -2.45688806 -1.31344168 -1.62773537 -3.7881754 0.58904559 -2.9276845 -3.7396976 -2.17641838 -4.66382769 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00255645-01 196710328 tox21-ror-cho-viability-p1 set2 4 0.7550716 0.46529011 -3.05947905 0.69796643 1.49645058 -0.67071289 0.24624892 0.84482883 -3.26847969 2.41563586 -4.06834554 -0.27120362 -2.78439289 1.23567049 1.68790284 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25211-86-3 12521030 144211688 A F Etidronic acid monohydrate O.CC(O)(P(O)(=O)O)P(=O)(O)O Tox21_301371 -NCGC00256211-01 196710329 tox21-ror-cho-viability-p1 set2 4 4.39395099 2.1404074 0.72471937 2.68340133 0.04223924 1.29279999 0.77578843 3.50959763 -0.53965097 2.81549347 -1.43171526 -0.5812522 3.03767894 0.13774304 2.66701432 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7005-47-2 23435 144211833 Ac 2-(Dimethylamino)-2-methylpropan-1-ol CN(C)C(C)(C)CO Tox21_301516 -NCGC00255165-01 196710330 tox21-ror-cho-viability-p1 set2 4 0.6113056486 6.0611223439 -7.1302934039 -1.06917106 1.0999999999 0.5850490516 0.109444786 -5.63808395 -10.94191117 -3.19267644 -4.97982238 -9.18165949 -10.49142642 -4.53743353 -4.14421559 -3.3759429 -3.53791819 -2.76708492 -0.05764255 -1.28932007 -0.5925322 -2.52318019 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1701-77-5 107202 144212302 A A Methoxyphenylacetic acid COC(C(=O)O)c1ccccc1 Tox21_301985 -NCGC00260575-01 196723886 tox21-ror-cho-viability-p1 set3 4 0.26603212 7.677389472 -5.677389472 2 1.8616924601 0.5875734113 0.1065360445 -8.89782456 -0.17346512 -6.25171283 -7.76051463 -3.3204914 -6.19030902 -8.22990373 0.46423693 -4.6687854 3.67291382 4.65509394 -2.15484832 2.78877816 0.48941923 4.42879452 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49471 144210228 M M NTP Mix39 CT1 2-EQP Tox21_203030 -NCGC00255966-01 196701427 tox21-ror-cho-viability-p1 set1 -2.4 76.9588215421 -26.074974272 0 -26.074974272 4.9549173134 0.9452368787 0.0000139766 0.41919202 -1.17453751 -1.1078893 0.96766254 -0.72242334 -0.37700616 -1.08348914 2.56170905 0.11666282 0.40577565 0.03971395 -0.98072051 -1.03462403 1.01655357 -20.06247856 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 603-33-8 11774 144212557 A A Triphenylbismuth c1ccccc1[Bi](c2ccccc2)c3ccccc3 Tox21_302240 -NCGC00255763-01 196701436 tox21-ror-cho-viability-p1 set1 4 0.1722893406 -6.114059428 -2 -8.114059428 4.9549173134 0.3536335772 0.3172715932 -5.44022801 2.03004504 -0.07456802 -0.66120197 -9.90466799 -5.30627485 2.16798581 -8.84625911 -10.20080327 -11.01426217 -13.01171619 -5.42862793 -4.02926334 -9.78319889 -6.00855031 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135-51-3 8673 144211918 A Ac Disodium 3-hydroxynaphthalene-2,7-disulfonate [Na+].[Na+].[O-]S(=O)(=O)c1cc2cc(c(O)cc2cc1)S([O-])(=O)=O Tox21_301601 -NCGC00255672-01 196701439 tox21-ror-cho-viability-p1 set1 -1.1 4.3688166593 -76.4704796539 0.7572730049 -75.713206649 4.5044702849 0.97796836 8.29E-8 -1.54603796 -0.27778887 0.06908746 2.69425826 3.56200393 0.0698291 -0.43039087 0.24819562 1.86744252 -0.52291337 -48.27484236 -68.52498872 -79.44432848 -88.86526602 -64.08743556 1.586E-9 3.5449999999E-9 7.9279999999E-9 1.7729999999E-8 3.964E-8 8.863E-8 1.982E-7 4.4319999999E-7 9.91E-7 0.000002216 0.000004955 0.000011079999999 0.00002477 0.0000554 0.0001239 134-30-5 61080 144212693 A A 8-Hydroxyquinoline citrate O=C(O)C(O)(CC(=O)O)CC(=O)O.Oc1cccc2cccnc12 Tox21_302376 -NCGC00015854-10 196723465 tox21-ror-cho-viability-p1 set3 4 0.1883363179 12.4316721319 -3.9316721319 8.5 4.9549173134 0.5762238011 0.1144884617 3.98493558 -4.84307966 -0.23847334 -0.56457638 -19.94306011 -3.88769208 -1.72098868 0 11.89261029 7.94439397 10.31818184 6.52925549 4.79009909 6.41393225 12.41969464 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-34-0 9279 170464881 C Propantheline bromide [Br-].CC(C)[N+](C)(CCOC(=O)C1c3ccccc3Oc2ccccc12)C(C)C Tox21_111265_1 -NCGC00015999-19 196723468 tox21-ror-cho-viability-p1 set3 4 0.4730794415 19.3036657719 -5.8036657719 13.5 2.3331733767 0.7104216715 0.0416998013 3.20857848 3.60546101 -13.51459001 -4.47158116 -14.00305481 -13.22261617 -4.84552948 0 -2.59910726 12.96662273 14.51598908 12.14148951 10.47592231 13.65953285 1.96516034 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64-77-7 5505 170465238 A Tolbutamide Cc1ccc(cc1)S(=O)(=O)NC(=O)NCCCC Tox21_110279_1 -NCGC00357212-01 196723863 tox21-ror-cho-viability-p1 set3 4 0.0544826733 6.141331748 -2.641331748 3.5 1.5094870999 0.6053025644 0.0945050383 -2.0456152 -1.51490508 -3.41386566 -4.70110979 2.31481778 0.21095807 -0.43189009 6.22157219 4.20413609 3.56731294 5.41993291 4.28810485 -0.25160629 1.26831525 4.54657787 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-72-2 8488 251919857 A N,N,3-Trimethylaniline Cc1cc(ccc1)N(C)C Tox21_303992 -NCGC00090816-05 196697711 tox21-ror-cho-viability-p1 set1 4 2.89875361 -0.07751416 5.96909748 0.10511056 -0.58671275 1.08219483 1.78243769 4.68720487 4.03673196 -1.27156697 -0.45667927 -2.70603444 1.32756776 2.16513031 -0.64717405 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123-30-8 403 170466875 Z 4-Aminophenol Nc1ccc(O)cc1 Tox21_113477_1 -NCGC00016513-05 196697715 tox21-ror-cho-viability-p1 set1 4 0.0668242473 5.447621764 -0.947621764 4.5 4.9549173134 0.49406646 0.1857401279 -0.32054666 -2.57671994 0.47158955 3.78700556 0.16693869 -0.16312112 -3.49153559 -0.96870247 -3.70635147 3.8415594 3.78481975 6.17504755 -0.70660122 4.04218901 7.51147539 5.899E-11 1.319E-10 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 581-88-4 11391 170466238 Z Debrisoquin sulfate O=S(=O)(O)O.N=C(N)N1Cc2ccccc2CC1.N=C(N)N1Cc2ccccc2CC1 Tox21_110468_1 -NCGC00262533-02 196697717 tox21-ror-cho-viability-p1 set1 4 -1.46119857 3.7500836 1.14801851 1.08898748 -0.83251026 -1.35981803 3.86734334 0.68949861 -1.21340803 -0.93632716 4.95441346 0.61035256 -0.76596449 -0.55702297 -3.68011582 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4880-88-0 71203 170466205 A (-)-Eburnamonine O=C1C[C@@]5(CCCN4CCc3c(n1c2ccccc23)[C@@H]45)CC Tox21_110060_1 -NCGC00016995-04 196697722 tox21-ror-cho-viability-p1 set1 4 0.85853797 -1.25049637 -1.18929151 -1.37242248 -0.77014733 -6.68554735 1.91371282 1.65850647 0.99786359 0.75046754 -0.14101873 0.42791799 -0.89284512 -0.00559301 0.38873977 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 138-92-1 16051987 170465002 Z Betazole hydrochloride Cl.NCCc1ccnn1 Tox21_110729_1 -NCGC00160566-02 196698127 tox21-ror-cho-viability-p1 set1 -2.2 21.1316824289 -47.4059045744 1.3450732949 -46.0608312795 1.5385888099 0.9454768268 0.0000135018 2.19964142 6.27591002 0.63456642 0.55930606 2.45322787 1.0167773 0.22410663 0.5731166 1.86482706 2.05076413 -4.85090907 -5.58414645 -4.16316188 -22.68005462 -35.27335703 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15599-52-7 65620 170466473 A Broquinaldol Oc1c(Br)cc(Br)c2ccc(C)nc12 Tox21_111904_1 -NCGC00160438-02 196726233 tox21-ror-cho-viability-p1 set3 4 0 -1.54067925 -9.19067992 -1.56570406 -3.05733752 -0.58448146 -9.82513547 5.10564564 -0.0798778 1.5223033 0.39157047 -3.60427643 0.46722815 4.78228733 2.46081269 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79069-94-6 54339 170466176 A Fanetizole C(CNc1nc(cs1)c2ccccc2)c3ccccc3 Tox21_113086_1 -NCGC00166243-03 196725833 tox21-ror-cho-viability-p1 set3 -2.4 0.0094391758 -21.9839006599 1 -20.9839006599 4.9549173134 0.8665650321 0.0013087002 -2.46973248 4.27787543 0 0 -19.8624165 -19.51645125 -16.95709551 -18.24148442 -23.70368961 -16.32209065 -18.25519371 -17.20220447 -22.79914626 -26.07614033 -29.15325055 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2440-22-4 17113 170466144 A 2-(2H-Benzotriazol-2-yl)-4-methylphenol Cc1cc(c(O)cc1)n2nc3ccccc3n2 Tox21_112369_1 -NCGC00091426-02 196726230 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -11.761008356 -0.5 -12.261008356 3.6272481694 0.7768561195 0.0129718134 -1.41670678 -0.49324964 -0.7077577 -1.96660785 -0.56536204 -0.39474449 0.28980888 2.18089473 -2.76310887 0.73566551 -0.0081539 -1.99054705 -1.38938522 -1.86000112 -9.38417363 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00142615-08 196726235 tox21-ror-cho-viability-p1 set3 4 0.58676679 -0.23585209 3.64774 -0.24805303 2.29728858 0.04704069 2.29664641 0.30059036 5.86715886 4.1464955 2.93261432 -0.48426599 -0.68879015 8.36625369 -1.33034223 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 51-43-4 5816 170464973 Z Epinephrine Oc1ccc(cc1O)[C@@H](O)CNC Tox21_111562_1 -NCGC00259226-01 196708838 tox21-ror-cho-viability-p1 set2 4 4.79443263 -1.73673166 1.70025315 -0.92211441 3.17368464 1.17318218 2.80387363 1.20392771 -0.01582319 2.90890565 0.55067934 1.11825502 -0.03678329 3.54062818 0.28724617 1.164E-9 2.602E-9 5.819E-9 1.301E-8 2.91E-8 6.506E-8 1.4549999999E-7 3.253E-7 7.274E-7 0.0000016269999999 0.0000036369999999 0.0000081329999999 0.00001819 0.000040659999999 0.00009093 120-72-9 798 144208875 B B Indole c1cccc2nccc12 Tox21_201677 -NCGC00257020-01 196708014 tox21-ror-cho-viability-p1 set1 4 68.5896218971 14.0144989639 -11.0144989639 3 4.9549173134 0.4055294654 0.2673711371 -5.63630415 -11.88756365 -4.95227617 -7.04379911 -13.61503467 -15.8547179 -11.2719865 -16.26208247 -15.64394802 -12.25670491 -12.86338424 -6.28390951 -8.64990588 -10.04548423 0.98926615 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-72-2 7026 144213646 B F 2,4,6-Tris(dimethylaminomethyl)phenol Oc1c(cc(cc1CN(C)C)CN(C)C)CN(C)C Tox21_303329 -NCGC00259099-01 196708424 tox21-ror-cho-viability-p1 set2 4 60.6956566923 -13.8164705159 -2 -15.8164705159 3.1319983358 0.7533030701 0.0189289672 0.52157417 -3.13822373 -4.20997784 -4.13573624 -3.04921381 -1.24310614 -0.55948108 -3.95144481 -3.18168822 -2.64709064 -1.45921946 -0.00137166 0 -5.22915454 -12.76372543 1.173E-9 2.624E-9 5.867E-9 1.312E-8 2.934E-8 6.56E-8 1.4669999999E-7 3.28E-7 7.334E-7 0.0000016399999999 0.000003667 0.0000081989999999 0.00001833 0.000041 0.00009167 92-70-6 7104 144208748 A A 3-Hydroxy-2-naphthoic acid O=C(O)c1cc2ccccc2cc1O Tox21_201550 -NCGC00258842-01 196708435 tox21-ror-cho-viability-p1 set2 4 0.0386100067 4.3292429839 -4.3292429839 0 2.4063783767 0.4306936889 0.2462493391 -2.92235452 -4.00758131 -1.44058964 -10.69103582 -0.9043121 -1.08021496 -2.05617964 1.24901055 0.33698235 -1.16647141 -0.65062027 1.19766769 -0.74633183 0.37050466 -0.38520018 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.0000036909999999 0.000008252 0.000018449999999 0.000041259999999 0.00009226 98-07-7 7367 144208488 D Benzotrichloride ClC(Cl)(Cl)c1ccccc1 Tox21_201290 -NCGC00259931-01 196708842 tox21-ror-cho-viability-p1 set2 4 22.819685968 -19.034814708 0.5 -18.534814708 4.0949729863 0.9152600179 0.0001399093 0.99294877 0.54998759 4.96693794 2.77975095 0.34044457 -4.3019825 0.63668019 0.03370922 1.33018188 -0.25792324 -0.18099329 0.35177419 -5.4546805 -15.65829656 -19.61234559 1.231E-9 2.752E-9 6.153E-9 1.3759999999E-8 3.076E-8 6.879E-8 1.538E-7 3.4389999999E-7 7.691E-7 0.0000017199999999 0.000003845 0.000008598 0.00001923 0.00004299 0.000096129999999 107-92-6 264 144209580 A A Butanoic acid CCCC(=O)O Tox21_202382 -NCGC00259611-01 196708853 tox21-ror-cho-viability-p1 set2 4 2.38190957 1.29885423 1.08205081 -1.59252749 2.07561508 1.38789303 2.50762288 1.65431531 -1.92479661 0 3.0122361 1.98361207 1.49531923 0.31552255 3.90323889 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.952E-8 6.6E-8 1.476E-7 3.3E-7 7.379E-7 0.0000016499999999 0.0000036889999999 0.0000082499999999 0.000018449999999 0.00004125 0.000092239999999 102-71-6 7618 144209260 AC Fns Triethanolamine OCCN(CCO)CCO Tox21_202062 -NCGC00259736-01 196708859 tox21-ror-cho-viability-p1 set2 4 -4.90068204 -1.17693174 -0.01637532 -5.52257158 -4.54816208 -2.45718802 -3.84943871 -1.44362369 -1.02553557 -3.0119728 -1.57569727 -1.87879956 -2.28905805 2.3115442 0.055643 1.18E-9 2.6389999999E-9 5.9009999999E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.299E-7 7.376E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.0000922 464-49-3 159055 144209385 A A D-Camphor CC2(C)[C@H]1CC(=O)[C@]2(C)CC1 Tox21_202187 -NCGC00259141-01 196708860 tox21-ror-cho-viability-p1 set2 -2.1 60.13725165 -90.451155176 -2.4721416859 -92.9232968619 3.9899729863 0.9865290308 4.8E-9 -8.77029921 0.99164651 -4.59459263 -4.76825909 -2.63626144 -1.98836461 -1.1879404 -2.03673753 -0.84926744 -0.86376428 -1.77287713 -2.74898253 -1.08142792 -17.3145186 -78.72977035 1.164E-9 2.602E-9 5.818E-9 1.301E-8 2.909E-8 6.5049999999E-8 1.4549999999E-7 3.252E-7 7.2729999999E-7 0.0000016259999999 0.000003636 0.000008131 0.00001818 0.000040659999999 0.00009091 143-50-0 299 144208790 A F Kepone O=C2C1(Cl)C3(Cl)C5(Cl)C1(Cl)C4(Cl)C2(Cl)C3(Cl)C4(Cl)C5(Cl)Cl Tox21_201592 -NCGC00257158-01 196718780 tox21-ror-cho-viability-p1 set2 4 -0.15863236 3.04996989 2.0980356 1.59504288 1.47697962 3.45262377 3.67763787 6.2014679 7.86838329 4.31412957 10.24887694 0.11309338 0.40642044 0.26317537 1.18799355 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 326-61-4 9473 144213403 A A Piperonyl acetate CC(=O)OCc1ccc2OCOc2c1 Tox21_303086 -NCGC00256324-01 196718794 tox21-ror-cho-viability-p1 set2 4 0.24339735 0.7097879 -0.68143185 7.99017762 0.68490997 0.77275721 4.3065547 1.61290656 5.60882264 4.31030475 6.08162726 1.47476422 1.02139442 -0.68176548 -0.52568898 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-17-3 7284 144213183 F 2-Methylbutanal CC(CC)C=O Tox21_302866 -NCGC00257108-01 196719220 tox21-ror-cho-viability-p1 set2 4 2.13040581 -0.44962869 2.6877804 5.62310739 -0.04718565 3.62433562 -0.24854073 6.40601304 2.69573942 1.69112871 12.55131165 2.67813652 8.37241892 4.09912959 2.48576929 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 88-44-8 6934 144213495 A A 2-Amino-5-methylbenzenesulfonic acid Nc1ccc(C)cc1S(O)(=O)=O Tox21_303178 -NCGC00257161-01 196719212 tox21-ror-cho-viability-p1 set2 4 0.93241621 0.816375 0.75760262 2.3211865 1.02003138 5.16360299 3.89479015 6.13016358 3.42067934 5.09181545 8.7602684 0.91782213 1.4865869 0.60672143 3.26047886 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2461-15-6 17162 144213443 A Ac 2-Ethylhexyl glycidyl ether CCC(CCCC)COCC1CO1 Tox21_303126 -NCGC00257212-01 196719214 tox21-ror-cho-viability-p1 set2 4 0.22996416 -1.78618915 -0.00080072 -1.63892368 1.25014057 -0.92966353 2.04657054 9.81224762 0 1.2504162 9.75254346 -0.21089839 0.70736297 0.10172511 -1.71644878 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-66-5 7713 144213626 A A 1,2-Diphenoxyethane C(COc1ccccc1)Oc2ccccc2 Tox21_303309 -NCGC00256885-01 196719219 tox21-ror-cho-viability-p1 set2 -2.4 10.4306394175 -26.1974707599 1.5 -24.6974707599 3.2474983358 0.9552583271 0.0000045778 -1.36222075 -1.04748661 1.69736633 -0.49626258 1.39299935 -0.08583083 1.47955983 6.21839215 1.05859635 1.46234321 4.43024532 0.02620919 -11.15793501 -22.53306342 -24.7478923 6.411E-10 1.4339999999E-9 3.205E-9 7.1679999999E-9 1.603E-8 3.5839999999E-8 8.014E-8 1.792E-7 4.007E-7 8.959E-7 0.000002003 0.00000448 0.000010019999999 0.0000224 0.000050079999999 123333-56-2 3078952 144213017 F F 2,4-Diaminoanisole sulfate hydrate O.Nc1cc(N)ccc1OC.O=S(=O)(O)O Tox21_302700 -NCGC00257304-01 196719230 tox21-ror-cho-viability-p1 set2 4 -4.96140884 1.89389989 -1.52983662 -2.52221451 -3.98482636 -3.20743328 1.31676308 1.00170287 -3.96285198 -0.93425051 -3.18751496 -2.2055994 -0.24183509 -2.85170299 -0.66364639 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 121-66-4 8486 144213880 F Ac 2-Amino-5-nitrothiazole [O-][N+](=O)c1cnc(N)s1 Tox21_303575 -NCGC00249924-01 196697332 tox21-ror-cho-viability-p1 set1 4 26.6032120037 -15.065621896 -0.5 -15.565621896 3.9899729863 0.7947197651 0.0089899846 -3.05439921 2.77017303 -0.06216013 1.71432438 -1.13858464 -0.49617221 0.12188623 -0.37156883 -5.0403521 -0.16230431 1.60080648 -0.50374089 -0.18430735 -4.52399198 -14.22135158 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64622-45-3 3673 170465895 A A Ibuprofen piconol CC(C)Cc1ccc(cc1)C(C)C(=O)OCc2ccccn2 Tox21_113700 -NCGC00163736-04 196697341 tox21-ror-cho-viability-p1 set1 4 -0.11835327 0.29169529 -2.24940564 -0.23552732 0.35750833 0.3131244 1.17148084 0.96821991 -1.26459403 -1.54588588 -0.64583971 -1.13725544 -0.89046591 0.84306736 0.38491085 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 138261-41-3 86418 170465741 A Imidacloprid [O-][N+](=O)/N=C2\NCCN2Cc1cnc(Cl)cc1 Tox21_111298_1 -NCGC00016951-05 196697370 tox21-ror-cho-viability-p1 set1 4 1.76512 4.00193194 -0.16439709 0.4020822 3.58193456 -0.45933772 -0.18374749 2.62859352 -2.17811856 0.57201233 -4.36502971 1.17155217 -0.04111289 0.51063229 -4.13744442 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84370-95-6 6420010 170465853 A Clebopride maleate O=C(O)/C=C\C(=O)O.Clc1cc(c(OC)cc1N)C(=O)NC3CCN(Cc2ccccc2)CC3 Tox21_110706_1 -NCGC00091073-07 196697383 tox21-ror-cho-viability-p1 set1 4 2.99989204 1.18678006 1.91701507 -0.11454678 -0.75955647 -1.70750552 1.67946085 -3.96677774 -0.16411658 -0.6425292 -1.36668283 0.02608071 1.88998846 -0.04946244 -2.40868558 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 333-41-5 3017 170466153 A Diazinon Cc1cc(OP(=S)(OCC)OCC)nc(n1)C(C)C Tox21_111077_1 -NCGC00015403-05 196697389 tox21-ror-cho-viability-p1 set1 4 9.4391758155 -10.6272159 1 -9.6272159 2.1876167061 0.7168533537 0.0313636555 0.58744992 0.43777416 2.97893654 -0.3419529 4.75042825 0.90520199 -0.19592916 0.02395591 -2.08345592 -1.92178225 4.99995148 -2.66541324 -3.50495049 -8.70569217 -8.85601325 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35838-58-5 37274 170466445 B Etazolate hydrochloride Cl.C/C(C)=N\Nc2c(cnc1c2cnn1CC)C(=O)OCC Tox21_111226_1 -NCGC00090986-03 196697391 tox21-ror-cho-viability-p1 set1 -2.1 61.5037543138 -81.659953683 0.6903493279 -80.9696043551 2.3031167061 0.9591494902 0.000002755 0.3289411 0.09251449 6.19671749 -1.31465662 -2.21277716 2.18138098 1.36858163 6.75589736 -1.01871717 0.97587993 0.79161104 1.90234677 -11.6245923 -19.99764793 -61.34060936 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00249883-01 196697425 tox21-ror-cho-viability-p1 set1 4 3.44061364 9.62101891 5.51084759 1.6053239 5.93956417 4.12490714 0.66172601 4.73821795 4.82617322 1.38735879 2.81259676 8.62756099 2.06211227 2.97662685 2.96150031 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 76-47-1 84088 170465314 A A Hydrocortamate CCN(CC)CC(=O)OCC(=O)[C@@]4(O)CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_113659 -NCGC00259586-01 196712404 tox21-ror-cho-viability-p1 set2 4 30.2954503929 -17.999388988 1.5 -16.499388988 4.9549173134 0.7625293863 0.0211919107 1.06181666 4.18085907 1.55345182 3.65074581 -0.1617374 0 -1.77761781 -1.61561074 1.11657803 2.86004902 0.21650262 5.58014065 4.20504795 -15.41615749 -0.97106909 1.1689999999E-9 2.614E-9 5.844E-9 1.3069999999E-8 2.922E-8 6.5339999999E-8 1.461E-7 3.267E-7 7.305E-7 0.0000016329999999 0.000003653 0.000008167 0.00001826 0.00004084 0.000091309999999 88-06-2 6914 144209235 A A 2,4,6-Trichlorophenol Clc1cc(Cl)cc(Cl)c1O Tox21_202037 -NCGC00255671-01 196711166 tox21-ror-cho-viability-p1 set2 4 -4.43062495 -3.34227322 -2.78608752 0.84921701 -1.74590892 -3.9960099 -1.86265495 -0.62954434 -2.44682897 0.49592454 0.48053922 -1.07378209 -1.65655888 0.3565508 1.51766681 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2554-06-5 75706 144211844 A 1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane C[Si]1(O[Si](C)(O[Si](C)(O[Si](C)(O1)C=C)C=C)C=C)C=C Tox21_301527 -NCGC00256043-01 196711172 tox21-ror-cho-viability-p1 set2 4 -2.77730058 0.9150014 -2.61969751 -2.61783119 -3.16361021 -0.09063024 0.10047461 3.03548374 -0.01632424 -1.49404911 -2.4592573 -0.4192722 1.58969962 -0.46390264 2.12296083 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-45-1 61151 144212651 A A Methyl 2-methoxybenzoate COc1ccccc1C(=O)OC Tox21_302334 -NCGC00260355-01 196711998 tox21-ror-cho-viability-p1 set2 4 76.1768542058 17.812869248 1.187130752 19 4.9549173134 0.6296776095 0.0773060487 1.05656559 0.16523282 -0.21444081 -0.09083107 0.01040383 2.22667733 1.68361349 -0.3133118 4.0319928 2.87869374 4.71670948 1.86064687 1.40598082 -5.67739104 14.39966374 1.1699999999E-9 2.6159999999E-9 5.851E-9 1.3079999999E-8 2.925E-8 6.5409999999E-8 1.463E-7 3.271E-7 7.3129999999E-7 0.000001635 0.000003657 0.000008176 0.00001828 0.00004088 0.00009141 1634-02-2 15412 144210007 F F Tetrabutylthiuram disulfide S=C(SSC(=S)N(CCCC)CCCC)N(CCCC)CCCC Tox21_202809 -NCGC00260659-01 196712416 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -22.189250324 0.5 -21.689250324 4.9549173134 0.8802802922 0.0007881293 -1.70747179 2.88148638 1.088881 -1.00306301 -2.21154217 -1.60924713 3.46866849 0.38958057 2.14909993 1.71191918 -0.02784669 2.99454479 0.61927591 -1.38382128 -18.07437527 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49555 144210312 M M NTP Mix25 AR2 2-EQP Tox21_203114 -NCGC00260123-01 196712417 tox21-ror-cho-viability-p1 set2 2.4 68.938530308 19.5 9 28.5 4.4494702849 0.7982615489 0.008340994 8.0336157 6.4630377 6.59260886 10.14147017 7.40121759 6.31087382 9.38418081 13.5273362 9.97834432 8.24453233 9.29418553 7.7487428 11.65632482 9.66985619 24.31616026 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.626E-8 1.482E-7 3.3129999999E-7 7.408E-7 0.000001656 0.000003704 0.000008282 0.00001852 0.000041409999999 0.000092599999999 515-74-2 23664644 144209772 F Sodium 4-aminobenzenesulfonate [Na+].Nc1ccc(cc1)S(=O)([O-])=O Tox21_202574 -NCGC00357134-01 196712420 tox21-ror-cho-viability-p1 set2 -1.1 2.9849294812 -51.728916619 -6.995900325 -58.724816944 4.9549173134 0.790230392 0.0132639604 -0.85621156 2.0164856 -9.90975381 -28.43603792 -0.9189139 -12.95690532 -12.68029033 -1.22057622 -13.43966626 -7.38679425 -0.12133732 -60.90500726 -67.94251765 -40.65485979 -20.09583182 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 144171-61-9 9936739 251919757 A (+-)-Indoxacarb FC(F)(F)Oc1ccc(cc1)N(C(=O)OC)C(=O)N2N=C3c4ccc(Cl)cc4CC3(OC2)C(=O)OC Tox21_303872 -NCGC00024623-04 196712815 tox21-ror-cho-viability-p1 set2 4 -0.48366067 1.74138121 -1.64725398 -0.56193246 -2.83281826 -1.57323617 0.32432758 -3.04646504 -2.38525167 -2.37579299 -1.97995505 -3.31688272 -2.40517697 -6.22292329 -6.80790779 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1229-29-4 6419921 170465413 I Doxepin hydrochloride Cl.CN(C)CC\C=C1\c3ccccc3OCc2ccccc12 Tox21_110130_1 -NCGC00166310-02 196712823 tox21-ror-cho-viability-p1 set2 1.1 2.5918491848 92.7369900354 2.3865018099 95.1234918453 2.7202212143 0.9906539549 6E-10 5.48463054 3.24452579 5.17991685 0.84508774 2.23305072 0.53523339 1.6595136 3.80617595 3.82937253 1.95266705 5.59885127 27.70852733 85.47431055 96.67021529 89.24393933 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 115550-35-1 60651 170465732 A Marbofloxacin CN1CCN(CC1)c4c(F)cc2c3N(C=C(C2=O)C(=O)O)N(C)COc34 Tox21_112406_1 -NCGC00016529-07 196712825 tox21-ror-cho-viability-p1 set2 2.2 18.8336317891 58.012039195 -2.121563225 55.89047597 2.4063783767 0.9934192868 1E-10 -1.05028397 -1.60260951 0.21538436 -3.28565164 -2.56619541 -2.68826453 -0.3223156 -2.15433867 -3.08247481 -2.05155891 -3.30154564 0.32261188 4.4839809 30.83419864 49.8926235 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 637-58-1 73957 170465004 A Pramoxine hydrochloride Cl.CCCCOc1ccc(cc1)OCCCN2CCOCC2 Tox21_110477_1 -NCGC00091261-03 196711198 tox21-ror-cho-viability-p1 set2 4 54.4826732819 -16.16696932 1.5 -14.66696932 3.9294729863 0.7146788219 0.0321421399 1.98372611 -0.4409052 0.06063279 0.48792965 2.89908657 -1.32744574 2.98263707 3.41335872 -1.02183279 -1.006332 6.34561555 6.03713956 2.29183603 -2.64332595 -12.6391411 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00090858-02 196711188 tox21-ror-cho-viability-p1 set2 4 -10.50291933 -4.70989896 -3.40188799 -5.4817957 -5.62921298 -9.56780042 -6.40930209 -39.55470371 0 -17.72885702 -2.67798314 -14.27367184 0 -38.88046624 0.52252211 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00254780-01 196699801 tox21-ror-cho-viability-p1 set1 4 3.94265068 1.13215995 4.08546747 -2.41782761 -0.0430183 -1.54259548 4.16041279 1.0690779 4.03332114 -0.73424867 0.1867914 -0.42894369 -0.90200521 2.04817705 7.9997911 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 1702-17-6 15553 144211193 A A Clopyralid Clc1ccc(Cl)nc1C(=O)O Tox21_300876 -NCGC00254335-01 196698970 tox21-ror-cho-viability-p1 set1 -2.4 0.8626141268 -21.6022816479 1 -20.6022816479 1.9673362061 0.9834570645 1.58E-8 3.54340157 -0.0324399 2.27636152 1.68955228 -0.71836252 0.24159927 0.00784423 -1.96393192 -8.12650019 -16.3079069 -21.15153743 -18.32326254 -19.86383564 -19.7527539 -22.16856804 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 117428-22-5 11285653 144210942 A A Picoxystrobin O=C(OC)\C(=C\OC)c2ccccc2COc1cccc(n1)C(F)(F)F Tox21_300625 -NCGC00254457-01 196699381 tox21-ror-cho-viability-p1 set1 4 2.49555304 1.53470676 0.38090733 0.4516224 -0.43688238 0.8783043 -1.479165 2.48203056 2.79623155 1.41274987 1.22480837 1.34758133 7.6861102 0.88412733 5.25129396 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81-81-2 54678486 144210849 A A Warfarin CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccccc3 Tox21_300531 -NCGC00254772-01 196699386 tox21-ror-cho-viability-p1 set1 4 -0.69115302 -6.36263536 -2.51891842 -1.38944884 -0.07997591 -4.54829059 -0.02484592 -0.35952188 -1.37911753 -1.20601992 0.01746928 -1.03669309 0.05546209 -1.05262378 -6.17235253 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77501-63-4 62276 144211185 A A Lactofen Clc2cc(ccc2Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+]([O-])=O)C(F)(F)F Tox21_300868 -NCGC00255697-01 196700204 tox21-ror-cho-viability-p1 set1 -3 61.130564862 -58.3358257155 -2.05995904 -60.3957847555 4.9549173134 0.9827389335 2.02E-8 0.64777295 -3.38569607 -0.64919146 2.11087234 -2.37905462 -2.5787654 -5.10987562 -1.35726205 -2.12611412 -0.7299346 -3.15032145 -1.92505897 -3.62076618 -9.08066044 -53.48871806 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5300-03-8 449171 144212512 Ac Fc 9-cis Retinoic acid CC=1CCCC(C)(C)C=1/C=C/C(/C)=C\C=C\C(\C)=C\C(=O)O Tox21_302195 -NCGC00255362-01 196700212 tox21-ror-cho-viability-p1 set1 4 1.48183392 -0.79775606 -0.38269485 -0.52513236 0.29065369 0.10622891 0.96655903 -4.16519752 -0.44725859 -7.63258108 -0.31960111 -5.10999921 1.82285931 5.22004594 0.12018863 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-89-8 892 144212352 A A myo-Inositol O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O Tox21_302035 -NCGC00256186-01 196700216 tox21-ror-cho-viability-p1 set1 4 -1.61343094 4.91082298 0.65643873 4.76070769 -1.52630804 4.98422252 1.20969199 3.05551179 4.51259532 5.62540265 1.64260758 -1.75559244 4.0094361 3.61452084 0.57284185 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27253-33-4 60196426 144212108 F Calcium neodecanoate [Ca+2].[O-]C(=O)C(C)(CC)CCC(C)C.CC(C)CCC(C)(CC)C([O-])=O Tox21_301791 -NCGC00255423-01 196700218 tox21-ror-cho-viability-p1 set1 4 -4.03121935 -4.41402201 -5.03502351 -2.88959215 -3.68021977 -4.04762961 -3.40406981 -0.16822337 -0.29755758 1.45241647 -1.16800452 -2.61686747 0.03814531 -0.75312648 1.76166613 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2545-59-7 17349 144212233 A A 2,4,5-T-butotyl Clc1cc(OCC(=O)OCCOCCCC)c(Cl)cc1Cl Tox21_301916 -NCGC00091532-04 196723895 tox21-ror-cho-viability-p1 set3 4 -5.64400455 -0.71585872 -2.90519966 -0.65598268 4.16332051 -2.31732482 6.57522685 3.34886794 -2.8032919 0.24703808 6.41406459 -0.88148912 -0.96750053 -0.55358113 -3.99981646 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00253639-01 196723494 tox21-ror-cho-viability-p1 set3 4 2.6603212004 -4.608751008 1.5 -3.108751008 4.9549173134 0.4280450127 0.2480626682 5.2419596 0.66810584 1.40837442 1.26835374 -1.29390967 0.96195237 1.57299974 -0.47342351 1.58294109 3.3798248 4.1346862 -6.34062584 0.91895605 -5.64139408 -1.30648145 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2380-94-1 75421 170466680 A A 4-Hydroxyindole Oc2cccc1nccc12 Tox21_113766 -NCGC00168342-02 196723496 tox21-ror-cho-viability-p1 set3 4 43.0131963229 22.48984444 0.51015556 23 0.5 0.4360519942 0.2381027797 3.96337676 7.45468982 1.0822223 3.56119243 7.24175445 -0.06335668 -1.6582037 -0.50047146 6.61028909 5.06340011 9.16502803 3.65081728 4.59266361 11.55620463 17.75751438 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00092386-13 196723497 tox21-ror-cho-viability-p1 set3 4 33.4914596268 -24.612289968 2.5 -22.112289968 4.9549173134 0.7467905786 0.0205247999 -0.40936515 7.81592835 0.42046693 0.97076316 9.17803892 3.34510641 0.02377513 3.56708149 -2.87887059 3.01713715 2.30218979 0.40304572 4.04673074 0.42525479 -18.01024164 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79559-97-0 63009 170465121 A Sertraline hydrochloride Cl.Clc1ccc(cc1Cl)[C@@H]3CC[C@H](NC)c2ccccc23 Tox21_111199_1 -NCGC00091210-02 196710505 tox21-ror-cho-viability-p1 set2 4 43.2771256911 -17.397099544 2.5 -14.897099544 1.78848746 0.8165518451 0.0055797808 2.99522693 1.74871136 5.5396045 5.31996606 5.04496158 3.32336128 0.39027112 -0.04319816 0.89684096 1.48675679 -0.00580517 0.44720556 1.1267476 -6.3040002 -11.16424962 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00255947-01 196710100 tox21-ror-cho-viability-p1 set2 -2.4 30.6378586933 -31.114100252 2 -29.114100252 2.1876167061 0.9545852894 0.0000049702 3.36549521 0.42717449 3.96537132 4.07060908 6.63856532 2.24764448 -0.13434308 0.76137177 -0.10074238 1.684109 0.45117405 -0.69591071 -6.59818827 -17.46393288 -29.26175021 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 83-28-3 6733 144211578 Ac Ac 2-Isovaleryl-1,3-indanedione CC(C)CC(=O)C2C(=O)c1ccccc1C2=O Tox21_301261 -NCGC00255166-01 196710106 tox21-ror-cho-viability-p1 set2 4 17.2289340586 19.89248252 -8.89248252 11 0.3 0.6850852784 0.0453968676 -9.55111254 -11.1604021 -5.11197939 -3.02739226 -6.95400316 -4.76626206 -6.50434303 -4.79855326 -0.33931889 -1.52152568 -3.43706206 -1.66090665 1.15556772 -1.66180436 8.77343974 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 114-49-8 6603108 144212336 A A Scopolamine hydrobromide Br.OC[C@H](c1ccccc1)C(=O)O[C@H]2C[C@@H]3N(C)[C@H](C2)[C@H]4O[C@@H]34 Tox21_302019 -NCGC00256058-01 196710510 tox21-ror-cho-viability-p1 set2 4 -0.94893847 -3.43792023 -1.89377449 -2.23559666 0.67780621 -3.61207222 0.26256396 -0.8351908 0.91495085 -1.07065507 -0.95706456 1.02558649 -1.47381103 -2.66895612 -4.77928388 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 585-34-2 11450 144212003 A A 3-tert-Butylphenol CC(C)(C)c1cc(O)ccc1 Tox21_301686 -NCGC00255409-01 196710511 tox21-ror-cho-viability-p1 set2 -2.1 17.7111986068 -85.9883306765 5.4839075995 -80.504423077 0.7999999999 0.9641187868 0.0000013333 19.09498278 0.80049204 1.64182508 -0.00237445 4.95898933 4.40482325 1.84601308 1.42513873 0.77359394 -3.09816426 -13.60015821 -22.53071754 -37.77602982 -50.77737105 -61.22686523 1.097E-9 2.4529999999E-9 5.486E-9 1.2269999999E-8 2.7429999999E-8 6.133E-8 1.371E-7 3.0669999999E-7 6.857E-7 0.0000015329999999 0.0000034289999999 0.000007667 0.00001714 0.000038329999999 0.000085709999999 115-39-9 8272 144212397 A Bromophenol blue Brc1cc(cc(Br)c1O)C3(OS(=O)(=O)c2ccccc23)c4cc(Br)c(O)c(Br)c4 Tox21_302080 -NCGC00090910-03 196710514 tox21-ror-cho-viability-p1 set2 4 5.51344954 -1.75313334 -2.27009642 -1.83651726 -3.73640382 -1.42474655 -0.27877721 -1.63017977 -1.1486298 -3.34016977 -2.45959165 -0.00281108 0.76650849 1.27486495 1.66717605 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00255844-01 196710515 tox21-ror-cho-viability-p1 set2 4 3.06001576 -1.49489539 3.33406411 -1.2386202 0.32083133 1.06987893 4.32271475 1.95069331 0.34758205 0.75720892 4.23766373 -1.84760763 1.85947231 0.084689 3.34515773 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-87-7 8769 144211667 A A Ethyl diethanolamine CCN(CCO)CCO Tox21_301350 -NCGC00255845-01 196710522 tox21-ror-cho-viability-p1 set2 -1.2 1.6596452619 -34.3892001588 1.394635585 -32.9945645738 3.0654483358 0.9745919551 1.884E-7 -0.48459754 0.86494131 -0.43128032 0.44928923 3.31387496 2.54224136 0.5537713 1.26292941 2.08001273 0.38336482 -17.61260895 -30.68906344 -33.47398308 -37.73976919 -26.67626948 5.3089999999E-10 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.968E-8 6.6359999999E-8 1.484E-7 3.318E-7 7.4189999999E-7 0.000001659 0.0000037099999999 0.000008295 0.00001855 0.000041469999999 134523-03-8 60822 144212690 A A Atorvastatin calcium [Ca+2].O[C@H](CCn1c(c(c(c1C(C)C)C(=O)Nc2ccccc2)c3ccccc3)c4ccc(F)cc4)C[C@@H](O)CC([O-])=O.[O-]C(=O)C[C@H](O)C[C@H](O)CCn4c(c1ccc(F)cc1)c(c2ccccc2)c(C(=O)Nc3ccccc3)c4C(C)C Tox21_302373 -NCGC00258907-01 196706388 tox21-ror-cho-viability-p1 set1 4 -6.49822064 -11.70860958 -6.61262929 -0.76439119 -6.67939036 0.31090034 0.75277375 1.06214093 1.22934591 -18.01906524 -6.75736873 0.28246289 -0.93314614 -7.74924115 -9.21070846 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 54464-57-2 108242 144208553 A F 1-(2,3,8,8-Tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone CC(=O)C2(C)CC1=C(CCCC1(C)C)CC2C Tox21_201355 -NCGC00259285-01 196705971 tox21-ror-cho-viability-p1 set1 4 68.3107079272 -28.1834513759 2 -26.1834513759 3.2974983358 0.7226175495 0.0288369281 -1.92224805 5.30481891 0.04187878 0.98525253 4.22647263 -4.35186187 -2.03075058 1.20356692 6.88555778 3.90650286 2.15847856 7.32778541 0.45944871 -2.38646723 -18.48620948 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.2869999999E-7 7.351E-7 0.0000016439999999 0.0000036749999999 0.000008218 0.000018379999999 0.00004109 0.00009188 2971-36-0 76302 144208934 A A 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane Oc1ccc(cc1)C(c2ccc(O)cc2)C(Cl)(Cl)Cl Tox21_201736 -NCGC00259764-01 196706386 tox21-ror-cho-viability-p1 set1 4 48.607118608 14.4604473559 -5.4604473559 9 4.4494702849 0.3569785248 0.3134121785 -11.69965653 -1.39104834 -11.85079468 -8.53294395 0.50304075 -5.30651416 -3.04370935 -3.36607181 -0.75377371 -12.88370613 3.795582 -5.71953817 -7.99859991 -0.84343008 8.21290971 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004125 0.00009223 118-71-8 8369 144209413 A A Maltol CC=1OC=CC(=O)C=1O Tox21_202215 -NCGC00090887-04 196697563 tox21-ror-cho-viability-p1 set1 4 -0.89018947 -5.41613669 -5.0089348 -1.81447152 -3.62579805 -3.98588108 -0.27470373 -0.16734539 -2.56157175 2.63883525 -3.49772374 0.92762815 -0.1567004 -0.86000643 0.64237797 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118-55-8 8361 170465501 F Phenyl salicylate Oc2ccccc2C(=O)Oc1ccccc1 Tox21_113459_1 -NCGC00016322-13 196697558 tox21-ror-cho-viability-p1 set1 4 1.99180276 0.93610855 1.99159108 2.1158585 -0.10546153 2.28537072 3.17193049 2.78286568 3.84577016 1.98923923 -0.14914112 8.75312369 0.63458976 1.7394132 2.50127444 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80-08-0 2955 170464895 A Dapsone Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2 Tox21_110371_1 -NCGC00073457-04 196697564 tox21-ror-cho-viability-p1 set1 4 1.33466797 -6.72895482 -1.50482845 -1.98908252 -3.62514031 0.65008176 -5.93551358 -3.45287633 1.935807 0.19030305 -5.82745959 1.3763029 1.34452193 1.39402091 -1.75106271 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35944-74-2 118264 170466159 A Metomidate hydrochloride Cl.CC(c1ccccc1)n2cncc2C(=O)OC Tox21_110988_1 -NCGC00344583-01 196697583 tox21-ror-cho-viability-p1 set1 -1.4 0.2371013766 -12.2871017639 -2.689192676 -14.9762944399 4.9549173134 0.5563897907 0.1301290248 -5.65061275 -1.13158636 -4.53646242 -0.57432723 -3.70531702 -1.46719602 -4.53075913 -2.25720073 -18.03743888 -11.59274166 -6.77053686 -13.60014408 -30.8135787 -8.93226115 -14.9011372 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 18556-44-0 5388983 170464976 B Vinblastine sulfate O=S(=O)(O)O.O=C(OC)[C@@]2(C[C@@H]4C[C@@](O)(CC)C[N@](CCc1c3ccccc3nc12)C4)c5cc9c(cc5OC)N(C)[C@@H]6[C@]98CCN7CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]6(O)C(=O)OC)[C@H]78 Tox21_111498_1 -NCGC00178711-03 196697586 tox21-ror-cho-viability-p1 set1 4 0.65693966 -6.17164675 -5.72053145 -3.29048143 0.04647478 -5.62999043 2.91302568 -0.2096681 1.76660588 -0.05680442 2.84479657 2.812394 0.06984631 0.60053409 0.08758671 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 204519-65-3 9588170 170465333 A Gemifloxacin mesylate CS(=O)(=O)O.CO\N=C1/CN(CC1CN)c2nc3c(cc2F)C(=O)C(=CN3C4CC4)C(=O)O Tox21_111473_1 -NCGC00025176-02 196697597 tox21-ror-cho-viability-p1 set1 4 0.47907677 4.1378034 3.65044703 4.2653853 5.70224734 0.3626508 4.45974647 -0.45036082 1.76066661 5.09667066 1.03691236 4.80182194 5.7121001 -2.053155 1.70990713 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33125-97-2 36339 170465117 A Etomidate CC(c1ccccc1)n2cncc2C(=O)OCC Tox21_110628_1 -NCGC00090752-12 196697613 tox21-ror-cho-viability-p1 set1 -1.1 13.3331902297 -78.3361822683 -1.6592966439 -79.9954789122 3.1319983358 0.9658462126 0.0000010101 -5.67935355 -1.22855138 -0.40965789 3.16602633 -1.87348716 2.41321235 2.16311225 1.09748151 -6.20957958 -5.86153411 -8.21874635 -5.06204824 -10.28245822 -71.29897416 -78.42694011 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 65646-68-6 5288209 170466359 A Fenretinide CC=2CCCC(C)(C)C=2/C=CC(\C)=C\C=C\C(\C)=C\C(=O)Nc1ccc(O)cc1 Tox21_111007_1 -NCGC00183858-01 196726309 tox21-ror-cho-viability-p1 set3 4 14.575039053 -14.191580612 -1.5 -15.691580612 4.5044702849 0.6621067775 0.0577474198 -2.30910926 0 2.04978381 -3.71084869 -1.73076181 -3.21324377 3.13946936 -0.79236342 -5.80254248 -3.3826995 -1.5656167 1.2284875 -2.42992275 -3.96404359 -13.90965051 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 132810-10-7 125564 144206818 A A Blonanserin CCN1CCN(CC1)c3cc(c2ccc(F)cc2)c4CCCCCCc4n3 Tox21_113267 -NCGC00182068-04 196725906 tox21-ror-cho-viability-p1 set3 4 1.12532822 4.37139367 -5.04704139 -0.98774585 -1.32311951 -2.85643476 -3.20955889 0.47538431 -3.3310812 -4.61624967 0.08251831 0.09044939 -3.17194299 0.55377516 3.65232893 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 120066-54-8 60714 170466854 F Gadoteridol [Gd+3].[O-]C(=O)CN1CCN(CCN(CCN(CC(C)O)CC1)CC([O-])=O)CC([O-])=O Tox21_113025_1 -NCGC00015236-04 196725907 tox21-ror-cho-viability-p1 set3 4 0.001333319 -31.434723004 16 -15.434723004 0.6 0.562939801 0.1248551962 11.30684962 -14.27902835 0 0 -8.88154328 -14.31412506 -10.52108419 -12.4348313 -19.58875807 -20.36226917 -15.48178191 -8.51589467 -15.07110064 -14.87069155 -16.07403392 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 137160-11-3 60839 170466443 A Aptiganel hydrochloride Cl.CN(C(=N)Nc2cccc1ccccc12)c3cc(CC)ccc3 Tox21_111220_1 -NCGC00016003-10 196725912 tox21-ror-cho-viability-p1 set3 4 0 12.26460924 14.33470262 12.0211122 18.84539436 13.3328189 0.44949902 10.83490776 7.15903826 -4.30081635 7.55620496 20.7898815 14.75202031 11.09695572 4.04731455 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52-49-3 66007 170464756 A Trihexyphenidyl hydrochloride Cl.OC(CCN1CCCCC1)(c2ccccc2)C3CCCCC3 Tox21_111274_1 -NCGC00090868-05 196726316 tox21-ror-cho-viability-p1 set3 4 -3.72441842 -12.89742226 3.9027357 4.51344905 -2.55632495 2.56442699 4.00187118 -8.83753838 -2.84007361 -2.33743897 -0.04284383 2.88672784 3.90071204 2.60276463 3.60907846 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 151-67-7 3562 170464645 F Halothane BrC(Cl)C(F)(F)F Tox21_111033_1 -NCGC00254667-01 196714071 tox21-ror-cho-viability-p1 set2 4 2.42711925 2.95189607 0.65061986 2.78110573 3.12463308 1.50913307 -1.20382954 -1.43845499 3.33373557 3.8667287 1.21249124 1.08455561 1.54302433 1.62654379 2.65481475 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57754-85-5 162839 144211080 A A Clopyralid-olamine Clc1ccc(Cl)nc1C(=O)O.NCCO Tox21_300763 -NCGC00249900-01 196713661 tox21-ror-cho-viability-p1 set2 4 1.95295371 1.81436546 -1.94320704 -0.94346832 -2.23803817 0.97257205 1.82565459 1.0218682 -2.34504217 -1.09227419 -0.35557501 1.2038403 0.01041682 -1.11963774 0.45782253 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71574-35-1 10330781 170465551 A A Glyceryl 1-(2-aminobenzoate) Nc1ccccc1C(=O)OCC(O)CO Tox21_113676 -NCGC00178864-03 196713662 tox21-ror-cho-viability-p1 set2 4 -0.46963679 -2.64866167 -0.1198461 -1.23393875 -4.25851704 -1.87815072 0.2659488 -3.88147547 0.1475444 0.5487667 -0.28875795 -0.23130979 2.8587721 -0.07407991 3.54777348 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1070-11-7 14051 170465115 Z Ethambutol dihydrochloride Cl.Cl.CC[C@@H](CO)NCCN[C@H](CO)CC Tox21_110494_1 -NCGC00167447-02 196713667 tox21-ror-cho-viability-p1 set2 -3 33.4914596268 -61.4833525636 1.1143286099 -60.3690239537 4.9549173134 0.9691142054 5.73E-7 -0.46702321 5.90142973 2.12415462 3.17579401 -0.18434206 0.45916382 0.1917767 0.16992119 0.10468587 -3.82135025 2.05314638 -0.30631681 -0.20749252 -0.6652567 -52.95528417 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-58-5 4963 170465884 A Prosultiamine Nc1nc(C)ncc1CN(C=O)C(C)=C(CCO)SSCCC Tox21_112451_1 -NCGC00091499-05 196714072 tox21-ror-cho-viability-p1 set2 4 -0.6253207 -3.70612846 -0.0004002 -2.64549047 0.36814539 -2.18391022 -1.9112233 -5.5351584 -6.5542069 -1.40158628 -3.73239222 0.13043848 -1.08950777 -5.7924515 1.10277447 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00254811-01 196714502 tox21-ror-cho-viability-p1 set2 4 -0.56055572 -0.36138456 -1.86318688 -0.20121285 -0.02494828 1.88003795 0.55566329 -1.07321298 -0.85380652 -4.46958538 0.62656157 -1.93816382 -5.36702502 -0.11081517 -7.49852627 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103055-07-8 71777 144211224 A A Lufenuron Clc2cc(NC(=O)NC(=O)c1c(F)cccc1F)c(Cl)cc2OC(F)(F)C(F)C(F)(F)F Tox21_300907 -NCGC00254953-01 196714912 tox21-ror-cho-viability-p1 set2 4 -1.1245028 3.04533866 1.43951729 -1.14849516 1.39938696 3.62700445 1.30078136 2.81865314 2.27363479 0.78427664 3.71378212 2.78930201 3.23341393 1.89182017 3.54141524 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33189-72-9 5367650 144211368 A Fc (E)-11-Tetradecen-1-ol acetate CC(=O)OCCCCCCCCCC\C=C\CC Tox21_301051 -NCGC00258638-01 196715313 tox21-ror-cho-viability-p1 set2 4 0.90426926 -1.64012177 -0.16311532 -0.90238315 3.84162988 2.97027298 0.15120256 0.75677128 0.92109741 2.86567341 3.16057602 1.59128286 0.66707522 2.40717409 1.72395681 1.1989999999E-9 2.6809999999E-9 5.995E-9 1.3409999999E-8 2.998E-8 6.703E-8 1.4989999999E-7 3.351E-7 7.494E-7 0.000001676 0.000003747 0.000008378 0.00001873 0.00004189 0.00009367 106-31-0 7798 144208284 A A Butanoic anhydride CCCC(=O)OC(=O)CCC Tox21_201086 -NCGC00257933-01 196715315 tox21-ror-cho-viability-p1 set2 4 -0.8476919 -0.5160938 0.56259171 0.60511959 -0.4543794 -1.76097947 -3.26714057 -0.52313766 -1.2188762 -2.61170778 1.5359999 -2.65090999 0.51966547 1.85974914 1.09293467 1.173E-9 2.624E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.000003667 0.0000081989999999 0.00001833 0.00004099 0.000091659999999 95-46-5 7236 144207577 AC A 2-Bromotoluene Cc1ccccc1Br Tox21_200379 -NCGC00258237-01 196715316 tox21-ror-cho-viability-p1 set2 4 -0.23288986 -3.44415059 -5.02767674 0.15586837 -1.79441741 -2.31400772 -1.21170523 -5.35293367 -3.00074102 2.46890125 -1.66592576 -0.22340065 2.45510987 0.35105699 -4.32547676 1.2049999999E-9 2.695E-9 6.0249999999E-9 1.347E-8 3.013E-8 6.737E-8 1.506E-7 3.368E-7 7.5319999999E-7 0.0000016839999999 0.000003766 0.000008421 0.000018829999999 0.0000421 0.00009415 607-35-2 11830 144207881 A A 8-Nitroquinoline [O-][N+](=O)c1cccc2cccnc12 Tox21_200683 -NCGC00183004-01 196712846 tox21-ror-cho-viability-p1 set2 4 -4.52618768 -3.46122357 -2.86125471 -3.06161401 -5.71528969 -7.00104166 -3.1179712 -1.35326978 -2.52640972 -0.39729967 -2.04198903 0.1633971 -1.26483675 0.02513836 -2.76181866 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 114417-20-8 23684123 144206835 Fns Fns Alilusem potassium [K+].Cc1ccccc1C(=O)N3CC/C(=N\OS([O-])(=O)=O)c2ccc(Cl)cc23 Tox21_113284 -NCGC00164168-02 196712437 tox21-ror-cho-viability-p1 set2 4 14.4263243402 -5.9255181559 5.5 -0.4255181559 1.8616924601 0.4638150423 0.2145985866 2.29447167 3.00740745 2.11942153 5.9046666 6.91787445 5.75013484 3.88336779 8.32644018 10.53193781 5.90797882 5.3490871 3.28314909 2.06752623 0.74903183 -0.77126513 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00260615-01 196712440 tox21-ror-cho-viability-p1 set2 -2.4 26.6032120037 -37.1163507652 -4 -41.1163507652 2.4063783767 0.8425849216 0.3883516797 1.02932532 0.1998108 -6.00346143 -1.234988 0.27831156 -25.80669813 -5.98490291 -29.4985284 -7.48895878 -12.789963 -1.69841919 -0.90734426 -9.82116356 -14.07121103 -34.17905361 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49511 144210268 M M NTP Mix18 AR1 8-EQC Tox21_203070 -NCGC00258524-01 196701885 tox21-ror-cho-viability-p1 set1 4 -9.28507604 -3.88604717 -1.79165987 5.40733725 2.02250478 -3.78439508 -13.7175525 -6.29956839 -2.71690482 -5.2032246 -8.76315294 -2.69148751 -5.6284143 -3.5428632 -1.24785189 1.204E-9 2.692E-9 6.02E-9 1.346E-8 3.01E-8 6.73E-8 1.5049999999E-7 3.365E-7 7.5239999999E-7 0.000001683 0.0000037619999999 0.000008413 0.000018809999999 0.00004206 0.00009406 123-91-1 31275 144208169 1,4-Dioxane C1COCCO1 Tox21_200971 -NCGC00255285-01 196701055 tox21-ror-cho-viability-p1 set1 4 -1.14215221 -3.74220989 -0.45594711 -1.70255795 -2.9238915 -1.67977706 0.89289358 1.93280986 -4.01844845 -12.14032957 -3.75111441 -0.94301011 -1.346368 -0.55823905 -2.86273105 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 630-93-3 657302 144212655 A A Diphenylhydantoin sodium [Na+].O=C1[N-]C(=O)C(N1)(c2ccccc2)c3ccccc3 Tox21_302338 -NCGC00255736-01 196701459 tox21-ror-cho-viability-p1 set1 -2.2 54.4826732819 -58.1977192694 -0.050195383 -58.2479146524 1.372261 0.952548093 0.0000063174 1.37474576 -2.60916863 0.42190498 -0.07666807 0.02758043 0.43843291 0.17759361 -0.29970805 0.26091173 0.54095455 0.5117384 -4.76040525 -16.26900771 -18.04606341 -44.12720807 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23847-08-7 90282 144212306 A A 1,1'-Disulfanediyldiazepan-2-one O=C2CCCCCN2SSN1CCCCCC1=O Tox21_301989 -NCGC00255254-01 196701463 tox21-ror-cho-viability-p1 set1 4 2.76674059 1.81724445 3.76419287 0 4.35252555 3.87172869 1.51466336 -0.29843428 -1.39612944 0.21498631 1.11484768 0.38879306 3.1999738 -0.90321295 -1.5107212 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26644-46-2 33565 144212585 I I Triforine ClC(Cl)(Cl)C(NC=O)N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl Tox21_302268 -NCGC00091759-02 196702293 tox21-ror-cho-viability-p1 set1 4 -0.28741625 -0.06148466 4.36455459 -0.91407486 1.43477606 6.07581075 1.027223 2.20053989 0.31366649 0.90730957 0.24731301 0.93605809 0.44565278 1.79719259 1.77049727 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00258432-01 196702298 tox21-ror-cho-viability-p1 set1 4 0.0019694392 -20.55189324 -19.19574843 -9.97668881 -4.14827664 -3.85724934 -2.11012829 4.96773995 4.76960276 -3.63032937 3.61576789 0.16691018 3.48591019 3.78477801 7.13772494 12.14165688 1.2069999999E-9 2.699E-9 6.035E-9 1.3499999999E-8 3.0179999999E-8 6.7479999999E-8 1.509E-7 3.3739999999E-7 7.5439999999E-7 0.000001687 0.0000037719999999 0.000008434 0.00001886 0.00004217 0.000094299999999 613-94-5 11955 144208076 A A Benzoyl hydrazine O=C(NN)c1ccccc1 Tox21_200878 -NCGC00257988-01 196702301 tox21-ror-cho-viability-p1 set1 4 3.0264354214 -11.274472192 1.5 -9.774472192 1.9673362061 0.8960782948 0.0007047318 2.60037939 0.84705537 0.91638203 3.33728524 -0.49740304 0.28953786 1.71502233 0.92940832 1.081916 -3.06420352 -2.74125333 -11.06206016 -9.69279828 -8.35775846 -0.62509929 1.1679999999E-9 2.612E-9 5.8409999999E-9 1.3059999999E-8 2.9209999999E-8 6.531E-8 1.4599999999E-7 3.265E-7 7.3019999999E-7 0.0000016329999999 0.0000036509999999 0.000008164 0.00001825 0.00004082 0.00009127 105-56-6 7764 144207632 A A Ethyl cyanoacetate N#CCC(=O)OCC Tox21_200434 -NCGC00257836-01 196702306 tox21-ror-cho-viability-p1 set1 4 13.2966725882 8.2083828239 -2.2083828239 6 2.3331733767 0.4674825391 0.2092778061 -2.38509523 -1.18705915 -0.32270618 -2.36193024 -1.98860988 0.26353014 -3.08142596 -0.22547975 -1.25397657 -1.38898394 -6.84031902 -3.39975565 9.15836287 -0.56571776 8.47054015 1.152E-9 2.576E-9 5.7609999999E-9 1.288E-8 2.8799999999E-8 6.4409999999E-8 1.44E-7 3.22E-7 7.2009999999E-7 0.00000161 0.000003601 0.000008051 0.000018 0.00004026 0.00009001 110-59-8 8061 144207480 FC Valeronitrile CCCCC#N Tox21_200282 -NCGC00257684-01 196702307 tox21-ror-cho-viability-p1 set1 4 -6.81175196 1.09016964 0.1982391 1.16164591 -10.40065475 0.54184243 0.72305045 -13.46299707 2.38063378 -4.34908948 -7.6891822 -6.75226741 -0.25377905 4.18321874 0.14456095 1.194E-9 2.67E-9 5.9709999999E-9 1.335E-8 2.985E-8 6.676E-8 1.493E-7 3.338E-7 7.464E-7 0.000001669 0.000003732 0.000008345 0.00001866 0.00004172 0.00009329 593-81-7 10313079 144207328 A A N,N-Dimethylmethanamine hydrochloride Cl.CN(C)C Tox21_200130 -NCGC00015360-08 196698591 tox21-ror-cho-viability-p1 set1 4 1.0609165 3.31005577 1.42087661 1.68866039 3.40038691 2.08901354 2.22540502 2.45455922 2.67297535 1.85229721 4.01064784 4.2558355 1.93975287 1.8750616 4.03623365 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 67-43-6 3053 170465150 A Pentetic acid O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O Tox21_110131_1 -NCGC00091278-03 196698578 tox21-ror-cho-viability-p1 set1 4 -0.88315615 0.27900115 0.21897561 0.74810394 0.1606612 0.90289532 0.27252604 -0.0660977 0.05092189 0.98777028 -0.69720402 1.50496114 -0.21677099 -1.08167004 -5.52766063 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00185770-01 196698582 tox21-ror-cho-viability-p1 set1 4 37.5780357627 7.0568121799 -2.0568121799 5 4.9549173134 0.3744306707 0.3027485072 -1.10359049 -1.62043624 -1.71370288 -3.38447239 -0.25117267 -2.90090182 -2.91594607 -6.71401015 -0.8028084 1.06139639 -0.24991134 -3.55067387 -3.77090341 -3.33312809 3.60518613 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 74135-10-7 60196368 144207173 Sucrose octasulfate, sodium salt [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)O[C@H]1[C@H](O[C@H](COS([O-])=O)[C@@H](OS([O-])=O)[C@@H]1OS([O-])=O)O[C@]2(COS([O-])=O)O[C@H](COS([O-])=O)[C@@H](OS([O-])=O)[C@@H]2OS([O-])=O Tox21_113624 -NCGC00090750-04 196711751 tox21-ror-cho-viability-p1 set2 4 7.7898932537 -21.9439851359 -4.016958124 -25.9609432599 0.4 0.3502418601 0.319302504 -5.04853379 -3.81479451 -13.69427672 -8.135826 -3.09825458 -8.93962385 -0.01413177 -9.48440967 -5.01015117 -22.86906257 -0.65296156 -24.55078605 -21.75511668 -14.09477813 -17.82318275 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00066947-05 196711352 tox21-ror-cho-viability-p1 set2 4 6.8589621897 -14.872664164 -3.184037116 -18.05670128 4.9549173134 0.6987339861 0.0386710913 -6.31045173 -4.16744301 -7.26705676 -7.15521147 -2.75049031 -0.9786426 -1.71889781 -1.21734983 -1.48458743 -0.57003093 -0.61404955 -14.95203628 -28.3805844 -10.24891168 -15.38762825 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00260654-01 196711353 tox21-ror-cho-viability-p1 set2 4 -2.20481648 0 5.24222347 -2.75618635 4.10186105 5.85349025 -2.0089912 2.79093042 5.16126553 0.58151172 4.52369016 2.4052733 -0.76082473 -3.2084493 -1.10430186 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49550 144210307 M M NTP Mix95 ER AR1 18-EQP Tox21_203109 -NCGC00260599-01 196711354 tox21-ror-cho-viability-p1 set2 4 -3.58086376 -2.87736773 -5.92899956 -7.17965624 -4.39618295 -11.58821465 -7.19253111 -9.85513382 -17.27957558 0 -5.47644887 -11.19492953 0 -15.05008461 -8.98765413 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49495 144210252 M M NTP Mix2 AR1 4-EQP Tox21_203054 -NCGC00357262-01 196711756 tox21-ror-cho-viability-p1 set2 4 -6.77983024 -6.37389474 -5.69549196 -5.60444724 -11.91440297 -5.8264227 0.11591127 -11.50226068 -6.46565842 -6.0390116 -4.11454752 -19.31255568 -19.35437814 -3.56830883 -17.65085101 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 41484-35-9 64883 251919694 A Thioethylene glycol bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate) CC(C)(C)c1cc(cc(c1O)C(C)(C)C)CCC(=O)OCCSCCOC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C Tox21_303739 -NCGC00159417-06 196708869 tox21-ror-cho-viability-p1 set2 -2.1 49.6956931991 -72.9471169702 0.080576867 -72.8665401032 2.7202212143 0.9815454824 2.98E-8 -2.30689913 -5.19822402 -4.247362 -1.0032255 2.19713825 0.02982632 0.38993494 2.32413124 2.29192686 2.55291307 0.57469122 0.04160507 -4.09414332 -28.80713825 -61.64131826 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00091284-03 196708040 tox21-ror-cho-viability-p1 set1 4 0.59236305 0.75410839 -6.51000852 -7.64001274 -3.5467039 -0.67431985 -4.77350093 -0.84377871 -0.78574746 -0.79702804 0.28339207 -4.29141302 -0.48305883 0.09440738 0.78798285 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00163771-03 196708055 tox21-ror-cho-viability-p1 set1 4 0.12207319 1.23930122 2.22496125 1.50956018 3.20813632 0.95657743 -0.65069516 10.17725599 -1.80706825 -2.17483559 1.70028518 2.14444928 3.02337984 1.5963831 1.62201601 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.593E-8 1.474E-7 3.297E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008241 0.000018429999999 0.00004121 0.00009214 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00259512-01 196708449 tox21-ror-cho-viability-p1 set2 4 -0.81004748 0.71688581 -0.84884483 -1.06070099 -1.48280441 0.04471711 -0.46984773 0.46456439 0.31260139 1.27028401 -4.21697274 -1.34482432 -4.14575216 -1.2345215 -7.66258244 1.175E-9 2.628E-9 5.877E-9 1.314E-8 2.9389999999E-8 6.571E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003673 0.000008214 0.00001837 0.00004107 0.00009183 99-66-1 3121 144209161 A A Valproic acid CCCC(CCC)C(=O)O Tox21_201963 -NCGC00259949-01 196708875 tox21-ror-cho-viability-p1 set2 4 27.973820538 -11.96376898 -0.5 -12.46376898 4.9549173134 0.8334232181 0.0036610896 0.60109529 0.74884529 -2.17147898 0.00831569 1.24830358 -2.21928613 -2.85389972 -2.46939105 1.71105084 -3.63731151 1.12230439 1.86228271 -2.12414 -10.81138045 -12.88647415 1.204E-9 2.693E-9 6.021E-9 1.346E-8 3.011E-8 6.732E-8 1.5049999999E-7 3.366E-7 7.526E-7 0.000001683 0.000003763 0.0000084149999999 0.00001882 0.000042069999999 0.00009408 83-32-9 6734 144209598 A A Acenaphthene c1cc2cccc3CCc(c1)c23 Tox21_202400 -NCGC00164168-02 196709283 tox21-ror-cho-viability-p1 set2 4 -1.73358671 -5.61558319 0.60076761 -0.30676185 -2.63372443 -2.94907618 -0.99011796 -2.64999334 -0.16783307 -1.15652523 -1.36600138 1.10884964 -0.6729738 -8.25481999 -7.11079479 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00259197-01 196709301 tox21-ror-cho-viability-p1 set2 4 75.3962224476 -18.168367672 0 -18.168367672 4.9549173134 0.5522775567 0.1341666073 0.92013154 0.77710312 -5.71645382 -5.96750402 1.61277929 -6.19550959 3.4741812 1.74834186 0.46232319 2.52449668 3.08007689 0.12554291 0.45429303 1.61905307 -14.30697306 1.16E-9 2.5929999999E-9 5.799E-9 1.297E-8 2.9E-8 6.4839999999E-8 1.45E-7 3.2419999999E-7 7.2489999999E-7 0.000001621 0.000003625 0.000008105 0.00001812 0.00004052 0.00009061 126-86-3 31362 144208846 A A 2,4,7,9-Tetramethyl-5-decyne-4,7-diol CC(O)(C#CC(C)(O)CC(C)C)CC(C)C Tox21_201648 -NCGC00091830-04 196709302 tox21-ror-cho-viability-p1 set2 4 3.23590269 3.77353033 3.11531585 1.19525773 1.26206487 1.58510772 4.04881828 3.2591144 0.05901219 -0.43600498 0.55661209 3.94626633 3.16179018 1.32088946 -3.25998262 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00256508-01 196727582 tox21-ror-cho-viability-p1 set3 4 -0.04807562 -6.11176888 -6.30507898 -1.53357218 -4.54226462 0.23700369 1.47487933 2.07813904 0.22848537 0.1564802 -0.68433499 1.36942817 3.64765055 -1.75858296 2.54765161 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-99-9 2266 144213328 A A Nonanedioic acid O=C(O)CCCCCCCC(=O)O Tox21_303011 -NCGC00091380-04 196727577 tox21-ror-cho-viability-p1 set3 4 -1.4580113 -3.48123853 -3.35816081 -2.83004309 -0.73541291 1.37294233 2.21736804 -6.17129006 0.50618304 -27.02752344 -2.25033706 -3.74373405 -0.15979535 -3.36421244 -3.67174744 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00257414-01 196727583 tox21-ror-cho-viability-p1 set3 -2.2 42.7056196033 -37.9114360919 1 -36.9114360919 2.7202212143 0.9683173412 6.634E-7 -1.244046 3.53426843 2.84589595 3.03997627 1.93465402 0.97274241 -1.13108327 -1.30094931 -0.57704127 0.39473703 1.9147261 -0.58525425 0.10200039 -16.82327536 -32.84286341 1.167E-9 2.609E-9 5.8339999999E-9 1.305E-8 2.917E-8 6.523E-8 1.459E-7 3.262E-7 7.2929999999E-7 0.000001631 0.0000036469999999 0.000008154 0.00001823 0.00004077 0.000091159999999 23386-52-9 23692768 144213699 A Dicyclohexyl sodium sulfosuccinate [Na+].O=C(OC1CCCCC1)C(CC(=O)OC2CCCCC2)S([O-])(=O)=O Tox21_303387 -NCGC00255866-01 196727990 tox21-ror-cho-viability-p1 set3 4 5.48390456 5.42003936 0.06369939 5.41009568 1.84782891 4.29368477 9.44477887 6.24847051 4.01783522 6.42404334 1.91227979 1.9233387 1.97767015 2.97131673 -0.19058846 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 125-13-3 31315 144212248 A A Oxyphenisatin Oc1ccc(cc1)C2(c3ccccc3NC2=O)c4ccc(O)cc4 Tox21_301931 -NCGC00255266-01 196727999 tox21-ror-cho-viability-p1 set3 -2.1 54.4826732819 -96.0685158094 -0.147592749 -96.2161085584 2.5334283767 0.9802601283 4.4E-8 1.37233214 -4.29340638 2.74293872 -1.56839912 -4.83952716 0.71276398 -0.75130587 4.79705737 -2.26180333 1.32435844 3.326547 0.05032158 -10.32503289 -30.20724077 -76.67887012 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21739-91-3 23665583 144212206 A A Cytembena [Na+].COc1ccc(cc1)C(=O)C(/Br)=C\C([O-])=O Tox21_301889 -NCGC00254258-01 196714959 tox21-ror-cho-viability-p1 set2 -2.2 27.3060203028 -65.243475471 -1.6292235699 -66.8726990409 0.7999999999 0.8473342051 0.0024360667 -2.84902346 -7.75042198 11.66049632 0.63807539 -6.8157251 -4.90865346 -7.60356407 -1.26627349 -4.52244046 -1.70873375 -8.65055712 -29.54364483 -32.18188414 -27.99048565 -54.63173938 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 128-04-1 560256 144210709 AC Ac Sodium dimethyldithiocarbamate [Na+].CN(C)C([S-])=S Tox21_300391 -NCGC00258678-01 196715778 tox21-ror-cho-viability-p1 set2 4 60.7577547203 -23.83724238 3.5 -20.33724238 2.2481167061 0.8562805643 0.0018705048 3.43995231 3.7764797 5.91304735 3.75993899 4.62761144 2.29678048 0.5524111 2.60166417 3.80933565 0.34883597 2.71676324 6.9726147 -0.12834029 -2.62185262 -13.61436865 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.56E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003667 0.0000082 0.00001834 0.000041 0.00009168 70-25-7 9562060 144208324 F N-Methyl-N'-nitro-N-nitrosoguanidine N=C(N[N+](=O)[O-])N(C)N=O Tox21_201126 -NCGC00258735-01 196715371 tox21-ror-cho-viability-p1 set2 4 24.3117693128 -11.4635478599 1.5 -9.9635478599 1.692447691 0.8541414319 0.0020230847 3.62422996 0.4098516 0.21993141 1.30389719 0.75386212 2.35454585 -0.29509483 2.98951663 3.60386754 0.69077106 3.26861764 -0.04190457 -4.09929265 -5.25488585 -9.55295655 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 19224-26-1 517637 144208381 A A 1,2-Propanediol, dibenzoate CC(OC(=O)c1ccccc1)COC(=O)c2ccccc2 Tox21_201183 -NCGC00254185-01 196714949 tox21-ror-cho-viability-p1 set2 4 48.5577336745 -24.527841736 1.5 -23.027841736 2.4063783767 0.9373420883 0.0000288016 1.60655096 -0.61086224 1.49455499 -0.52887687 1.9827586 2.17570915 -0.61001858 0.30799876 2.98354066 3.0832338 1.05565091 4.03560638 -0.43845844 -9.18246462 -18.35653478 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-95-4 7271 144210506 A A 2,4,5-Trichlorophenol Oc1cc(Cl)c(Cl)cc1Cl Tox21_300186 -NCGC00258072-01 196715365 tox21-ror-cho-viability-p1 set2 4 5.96793626 3.29821189 -0.03244578 -0.71260491 4.31534782 7.24318723 0.66841269 6.02965815 1.67224956 2.27000521 4.0747404 3.89983576 -0.81200237 1.4914782 5.24807794 1.137E-9 2.543E-9 5.687E-9 1.2719999999E-8 2.844E-8 6.3579999999E-8 1.422E-7 3.179E-7 7.1089999999E-7 0.00000159 0.0000035539999999 0.000007948 0.000017769999999 0.00003974 0.00008886 95-63-6 7247 144207716 AC Fc 1,2,4-Trimethylbenzene Cc1cc(C)c(C)cc1 Tox21_200518 -NCGC00258030-01 196715384 tox21-ror-cho-viability-p1 set2 4 4.25446531 -0.1604936 -0.97864703 1.16574337 2.52498686 1.69680359 0.41532012 -1.18406172 -1.60897118 2.50487231 -0.0686123 -1.77398076 1.66211863 -0.105539 1.84729845 1.167E-9 2.608E-9 5.8329999999E-9 1.304E-8 2.9159999999E-8 6.521E-8 1.458E-7 3.26E-7 7.2909999999E-7 0.0000016299999999 0.000003645 0.0000081509999999 0.00001823 0.000040759999999 0.000091129999999 2948-46-1 18062 144207674 A A 1,4-Bis(2-hydroxy-2-propyl)benzene OC(C)(C)c1ccc(cc1)C(C)(C)O Tox21_200476 -NCGC00258010-01 196715785 tox21-ror-cho-viability-p1 set2 4 4.84204247 5.6883187 0.41658252 4.94108316 4.34827258 6.14751504 1.29338875 5.40765372 3.50348106 3.12325715 3.19990994 2.07251315 1.06187925 3.25478944 0.7613004 1.1839999999E-9 2.647E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.618E-8 1.4799999999E-7 3.309E-7 7.399E-7 0.000001655 0.0000037 0.0000082729999999 0.0000185 0.00004136 0.000092489999999 2425-54-9 17043 144207654 BC Fns 1-Chlorotetradecane CCCCCCCCCCCCCCCl Tox21_200456 -NCGC00257666-01 196715787 tox21-ror-cho-viability-p1 set2 4 1.96276545 1.53700169 -0.94139447 0.46857059 -11.92559332 -1.78002784 0.63401847 1.60383723 -1.03265895 1.48864634 1.91007254 -0.00409508 0.0038931 0.5206536 2.43723935 1.1859999999E-9 2.6519999999E-9 5.929E-9 1.326E-8 2.964E-8 6.629E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.0000037059999999 0.000008286 0.00001853 0.000041429999999 0.00009264 98-55-5 17100 144207310 A B alpha-Terpineol CC1=CCC(CC1)C(O)(C)C Tox21_200112 -NCGC00257613-01 196715795 tox21-ror-cho-viability-p1 set2 4 1.50225809 -2.62482157 -0.12110385 -1.49303507 -2.47632408 1.1226357 -2.71732037 -3.30606641 -2.74552032 0.00626854 -12.92225317 -4.4658465 -1.84071685 -1.34670004 0.98740041 1.189E-9 2.6589999999E-9 5.946E-9 1.3289999999E-8 2.973E-8 6.647E-8 1.486E-7 3.3239999999E-7 7.4319999999E-7 0.000001662 0.000003716 0.000008309 0.000018579999999 0.000041549999999 0.0000929 171869-95-7 16212317 144207257 A A Palmatine chloride hydrate [Cl-].O.COc1cc2c3cc4ccc(OC)c(OC)c4c[n+]3CCc2cc1OC Tox21_200059 -NCGC00258550-01 196716626 tox21-ror-cho-viability-p1 set2 4 3.86561743 -1.58232285 -2.30642045 -0.15328752 0.94086847 0.8890619 0.30040197 5.33757529 0.3496491 3.97660783 4.36673661 3.96661226 3.88532701 4.70664719 6.02547288 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.468E-7 3.284E-7 7.3419999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.000018359999999 0.00004104 0.000091779999999 621-33-0 12120 144208195 A A 3-Ethoxyaniline CCOc1cccc(N)c1 Tox21_200997 -NCGC00015675-08 196716630 tox21-ror-cho-viability-p1 set2 4 -2.48679962 -3.49129437 2.26743039 1.47891465 -1.7674988 -1.84737703 -0.460451 -3.1852147 -2.77181454 -3.20586562 -1.39864048 1.78898836 0.60504157 -1.95262776 1.87983134 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00091519-09 196717028 tox21-ror-cho-viability-p1 set2 4 1.1068151 0.18332448 4.41476785 0.31385002 0.26435205 7.34887357 4.5855577 1.61385778 0.9880001 -0.04994319 -0.99906846 -0.75373857 0.26976834 0.59181151 6.3925772 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 106-44-5 2879 170465495 F p-Cresol Cc1ccc(O)cc1 Tox21_113445_1 -NCGC00247683-01 196717029 tox21-ror-cho-viability-p1 set2 4 -5.70649789 -7.10164345 -2.79463581 -8.87013858 -6.09311748 -6.153412 2.53592626 1.29745047 -8.50256083 -12.81263166 -4.69702463 -11.16415692 -5.27634923 -0.11687719 -3.24560336 1.355E-9 3.03E-9 6.7749999999E-9 1.515E-8 3.387E-8 7.574E-8 1.694E-7 3.7869999999E-7 8.468E-7 0.0000018939999999 0.000004234 0.000009468 0.00002117 0.00004734 0.0001059 4968-48-3 3030770 144206385 A A 1-Methyl-4-phenyl-4-propionoxypiperidine hydrochloride Cl.CN1CCC(OC(=O)CC)(CC1)c2ccccc2 Tox21_112832 -NCGC00090760-08 196715869 tox21-ror-cho-viability-p1 set2 4 68.1713220381 -23.940739416 2 -21.940739416 4.9549173134 0.9249231414 0.0000751111 1.55219144 2.95722074 2.73508045 0.81406803 1.20886507 4.5803467 0.69168487 0.387222 2.02130108 1.79319687 3.72810838 4.70334609 0.01678499 0.4807859 -17.45061618 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00258687-01 196715875 tox21-ror-cho-viability-p1 set2 4 1.77218015 4.42494332 -0.66688435 3.03765381 4.88645452 5.86585729 0.65133526 2.98333331 4.74401798 1.267294 3.44670251 2.47234265 0.11736911 5.88424227 1.89872593 1.289E-9 2.883E-9 6.4469999999E-9 1.442E-8 3.2239999999E-8 7.208E-8 1.612E-7 3.6039999999E-7 8.0589999999E-7 0.000001802 0.000004029 0.00000901 0.00002015 0.00004505 0.0001007 107-12-0 7854 144208333 FNS Propionitrile CCC#N Tox21_201135 -NCGC00258197-01 196715857 tox21-ror-cho-viability-p1 set2 4 0.0279738205 4.9195214999 -4.4195214999 0.5 4.9549173134 0.4341814738 0.2417708167 -0.56425921 -0.38313915 -9.09960125 -8.16522187 -0.71413665 -1.00585818 -0.03566078 -0.6311786 0.53947128 0.52252882 -0.18709169 -0.96007506 0.68264818 0.50936894 4.33716253 1.204E-9 2.692E-9 6.02E-9 1.346E-8 3.01E-8 6.73E-8 1.5049999999E-7 3.365E-7 7.5239999999E-7 0.000001683 0.0000037619999999 0.000008413 0.000018809999999 0.00004206 0.00009406 124-63-0 31297 144207841 Methanesulfonyl chloride CS(Cl)(=O)=O Tox21_200643 -NCGC00257653-01 196715860 tox21-ror-cho-viability-p1 set2 4 1.32975287 -2.89271265 -2.78889951 -1.88147772 -1.30799586 -0.57325336 -1.73294455 -4.21765426 -0.51489758 2.03951404 2.03253764 0.25609535 0.70369351 1.02588916 0.21387341 1.2069999999E-9 2.699E-9 6.034E-9 1.349E-8 3.017E-8 6.747E-8 1.509E-7 3.373E-7 7.5429999999E-7 0.000001687 0.0000037709999999 0.0000084329999999 0.00001886 0.00004217 0.00009429 3148-73-0 72884 144207297 A B Diacetyl hydrazine CC(=O)NNC(C)=O Tox21_200099 -NCGC00258495-01 196715880 tox21-ror-cho-viability-p1 set2 4 -4.63597555 0.16187311 -4.54871635 -5.33033929 -2.89613023 -0.90825315 -1.56148069 -3.00213176 1.46581295 -0.72537523 0.29194165 -3.56577546 2.25394949 -3.2809589 0.504488 1.182E-9 2.6419999999E-9 5.909E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.386E-7 0.0000016519999999 0.000003693 0.000008258 0.00001846 0.00004129 0.000092319999999 71888-89-6 591200 144208139 A Ac 1,2-Benzenedicarboxylic acid, di-C6-8-branched alkyl esters, C7-rich CC(C)CCCCOC(=O)c1ccccc1C(=O)OCCCCC(C)C Tox21_200941 -NCGC00258160-01 196716278 tox21-ror-cho-viability-p1 set2 4 -0.52792424 0.3174348 2.4664485 -0.06459802 -0.6813524 0.73706989 -0.43008983 3.41272065 2.6940895 0.5171523 2.37771863 0.5381257 0.27402929 -0.87229219 0.41981134 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.9409999999E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.0000411 0.00009189 36443-80-8 10560335 144207804 A A 1-Benzyl-3-methylimidazolium chloride [Cl-].C[n+]2ccn(Cc1ccccc1)c2 Tox21_200606 -NCGC00090962-05 196716691 tox21-ror-cho-viability-p1 set2 4 -4.47951283 -3.74119553 -4.52695596 -4.80283574 -1.22617814 -1.58087973 -4.37120179 -3.89775617 -0.88850906 0.20467819 1.03198653 -3.18849669 -2.88465089 -8.61273604 -12.1933421 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00229704-01 196716703 tox21-ror-cho-viability-p1 set2 4 2.95939259 4.74168611 3.47116563 1.16759737 8.57690291 8.34506899 4.47672748 1.91913389 0.97598647 0.12028864 1.64546853 0.39123578 0.54752094 1.48778153 2.36490276 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112887-68-0 104758 144207198 A A Raltitrexed O=C(N[C@@H](CCC(=O)O)C(=O)O)c1ccc(s1)N(C)Cc2ccc3N=C(C)NC(=O)c3c2 Tox21_112237_1 -NCGC00262923-01 196716704 tox21-ror-cho-viability-p1 set2 -2.2 33.4914596268 -44.8541470852 -3.5 -48.3541470852 3.0654483358 0.8526068128 0.0020798861 -0.80127949 0.30515003 -0.63602742 -6.76858091 -5.39877627 -12.92201811 -4.27735623 -4.47518548 0.75749048 -3.99703138 -0.75381465 -0.28543628 -7.58448705 -12.08956891 -36.63192961 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3158-91-6 76619 170466677 A A 2-Chlorodibenz(b,f)-1,4-oxazepin-11(10H)-one Clc1cc2NC(=O)c3ccccc3Oc2cc1 Tox21_113919 -NCGC00263532-01 196716705 tox21-ror-cho-viability-p1 set2 4 2.15429085 0.2948555 0.52264482 0.25033596 3.44216878 0.65393221 2.61081466 3.26543564 -0.36488046 0.40756446 -0.8649439 1.59498887 -4.67196306 -0.16896972 0.56343766 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 140462-76-6 5282402 170465181 A Olopatadine hydrochloride Cl.O=C(O)Cc1ccc2OCc3ccccc3C(=C\CCN(C)C)\c2c1 Tox21_112242_1 -NCGC00263543-01 196717119 tox21-ror-cho-viability-p1 set2 4 1.8833631789 -15.1764689119 3 -12.1764689119 1.0999999999 0.7283240237 0.0338311133 2.27622775 1.2171727 -0.22954707 3.62505009 5.81713204 3.19029439 6.25489728 2.51151884 0.07819109 -3.87915607 -3.16270276 -3.28037838 -17.23039076 -7.30562061 -0.10419387 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-22-7 5978 170465186 B Vincristine O=C(OC)[C@@]2(C[C@H]4C[C@@](O)(CC)C[N@@](CCc1c3ccccc3nc12)C4)c5cc9c(cc5OC)N(C=O)[C@@H]6[C@]98CCN7CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]6(O)C(=O)OC)[C@H]78 Tox21_112067_1 -NCGC00016634-04 196717126 tox21-ror-cho-viability-p1 set2 4 0.0007497804 -7.9490024239 5 -2.9490024239 4.9549173134 0.3504129496 0.3242299918 3.2265118 -2.39127459 -5.09828599 -3.60379585 -1.35777003 -0.90591918 -7.45750202 -3.09224294 -1.41696553 -3.68040124 0.57161855 -6.17412057 -5.43689201 -2.75378008 -0.36514975 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3598-37-6 6420038 170465731 A Acetopromazine maleate O=C(O)/C=C\C(=O)O.CC(=O)c1cc2N(CCCN(C)C)c3ccccc3Sc2cc1 Tox21_110536_1 -NCGC00357101-01 196703819 tox21-ror-cho-viability-p1 set1 4 -5.45593559 -4.77023306 0.22594945 -6.02217344 -0.71971217 -1.33286464 -0.36451671 -0.70788568 0.82785744 0.26013117 2.50106452 -10.68301424 -0.83610127 0.3458855 3.52502091 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 462-95-3 10024 251919903 Fns Diethoxymethane CCOCOCC Tox21_303824 -NCGC00260221-01 196703420 tox21-ror-cho-viability-p1 set1 4 5.60960559 -10.97230789 0.01035245 1.8017713 1.7294232 -3.96729382 7.37485555 -0.01797897 2.99428344 5.25622924 1.30454884 7.01417162 -0.03534268 8.3320936 9.44577858 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.971E-8 6.6439999999E-8 1.486E-7 3.3219999999E-7 7.428E-7 0.0000016609999999 0.000003714 0.000008305 0.00001857 0.00004152 0.00009285 NOCAS_49387 44373822 144209871 F 1-Methyl-1-propylpiperidinium trifluoromethanesulfonate O/C(=N/C(CCCCCCCCCCCCCC)CO)CCCCCCCCCCCCCC Tox21_202673 -NCGC00260470-01 196703828 tox21-ror-cho-viability-p1 set1 4 0.24764597 3.0244617 -1.23785816 2.616399 -2.0140947 -1.32848616 6.61418866 0.9176842 -11.05516807 -1.4909757 1.12225006 -0.90390942 2.58545924 0.98165727 -8.53904521 1.1989999999E-9 2.6809999999E-9 5.995E-9 1.3409999999E-8 2.998E-8 6.703E-8 1.4989999999E-7 3.351E-7 7.494E-7 0.000001676 0.000003747 0.000008378 0.00001873 0.00004189 0.00009367 533-75-5 10789 144210122 Ac Ac Tropolone OC1=CC=CC=CC1=O Tox21_202924 -NCGC00259994-01 196703832 tox21-ror-cho-viability-p1 set1 4 -0.12882087 -4.90022212 -9.80092699 -4.0609148 -8.07925095 -9.24792497 -12.99889192 -18.18852803 -4.76917917 -12.10861045 -2.95768619 -10.30510449 -12.07595192 0.38851196 -15.32307174 1.125E-9 2.516E-9 5.6259999999E-9 1.2579999999E-8 2.8129999999E-8 6.29E-8 1.4069999999E-7 3.1449999999E-7 7.033E-7 0.0000015729999999 0.000003516 0.000007863 0.000017579999999 0.00003931 0.000087909999999 34256-82-1 1988 144209643 A A Acetochlor ClCC(=O)N(COCC)c1c(C)cccc1CC Tox21_202445 -NCGC00260484-01 196703833 tox21-ror-cho-viability-p1 set1 4 -0.22916223 -9.46788912 -1.82763345 -6.82467434 -12.2782544 -4.57827082 -1.99867585 -2.11965791 -4.2590719 -0.39056818 -1.67163268 -3.53927338 -4.89625383 -2.65570924 -5.35444291 1.203E-9 2.69E-9 6.014E-9 1.345E-8 3.007E-8 6.7239999999E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003759 0.0000084049999999 0.000018789999999 0.00004202 0.00009397 63041-77-0 44368 144210136 A F 7-Methylbenzo(a)pyrene Cc5cccc1c5cc2ccc4cccc3ccc1c2c34 Tox21_202938 -NCGC00164637-02 196704237 tox21-ror-cho-viability-p1 set1 4 -2.15119673 8.91449952 -0.41676198 0.65771822 -0.16473593 -1.89619906 0.64361048 -2.18693216 4.32299294 -4.44087899 2.5816723 2.8215869 0.75068264 4.97314983 6.32168915 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 130636-43-0 122188 170465960 A Nifekalant Cl.CN1C(=CC(=O)N(C)C1=O)NCCN(CCCc2ccc(cc2)[N+]([O-])=O)CCO Tox21_112254_1 -NCGC00249899-01 196704243 tox21-ror-cho-viability-p1 set1 4 0.7497803863 16.58964136 -9.58964136 7 0.2 0.3710065888 0.3008982762 -4.04591398 -12.9913678 0.90798895 -4.22850124 -7.27987641 -4.65720155 -0.7510663 -5.90983338 0.04838699 1.08814369 -0.86633888 1.48954493 -5.2030893 1.38401488 4.43042176 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104-28-9 7696 170465555 Ac A Cinoxate COc1ccc(C=CC(=O)OCCOCC)cc1 Tox21_113675 -NCGC00253753-01 196704253 tox21-ror-cho-viability-p1 set1 4 37.5780357627 -10.441811672 1 -9.441811672 4.9549173134 0.6777611712 0.0505619967 1.24210018 2.95628121 1.16339669 -0.20305087 1.28000798 3.55679928 0.95135543 0.73167748 1.01054606 -0.4221948 -1.41810717 -1.61865193 0.81870527 0.93071567 -7.03484306 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53786-46-2 104610 170466709 A A Ethyl 4-(5-chloro-2,3-dihydro-2-oxo-1h-benzimidazol-2-yl)piperidine-1-carboxylate Clc2cc3NC(=O)N(C1CCN(CC1)C(=O)OCC)c3cc2 Tox21_113868 -NCGC00178521-03 196704661 tox21-ror-cho-viability-p1 set1 -1.1 5.3080386368 -70.284407944 -4.287357868 -74.571765812 1.6266150999 0.9825425678 2.16E-8 -6.78287725 -1.29623678 -7.60457817 -8.34107464 -3.39591549 -6.50000872 -2.09734552 -4.33399815 -3.42511479 -4.4152673 -15.56230727 -27.84207958 -60.79510952 -65.62059248 -68.6149741 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 555-77-1 5561 170466083 A 2-Chloro-N,N-bis(2-chloroethyl)ethanamine ClCCN(CCCl)CCCl Tox21_113198_1 -NCGC00247698-01 196705504 tox21-ror-cho-viability-p1 set1 4 -5.65925901 1.5089979 2.70630162 3.13702613 0.38807167 0.69163913 -5.00224455 -6.19605063 -1.77550688 -6.35562969 -4.49578459 -1.88875184 -2.31848187 -4.12365423 -1.0883178 1.374E-9 3.072E-9 6.869E-9 1.536E-8 3.434E-8 7.6799999999E-8 1.7169999999E-7 3.84E-7 8.586E-7 0.00000192 0.000004293 0.0000096 0.00002147 0.000048 0.00010729999999 50505-88-9 60196325 144206401 A A R-(-)-2,5-Dimethoxy-4-methylamphetamine hydrochloride Cl.COc1cc(C)c(cc1C[C@@H](C)N)OC Tox21_112848 -NCGC00262916-01 196704665 tox21-ror-cho-viability-p1 set1 4 -1.55887111 8.25622234 5.56550242 1.23899503 0.63224693 -3.74343872 0.69013611 2.7298304 0.11537809 -3.17063371 0.03309542 2.72059715 4.15975044 1.55536074 0.04533699 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52605-52-4 13035120 170466726 A F 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine hydrochloride Cl.Clc1cccc(c1)N2CCN(CCCCl)CC2 Tox21_113914 -NCGC00253727-01 196705074 tox21-ror-cho-viability-p1 set1 4 8.9621873 0.69695475 0.63307614 0.92258525 2.25904376 0.27955392 0.72230971 1.00122864 5.97830267 0.79321987 9.942881 3.80414594 1.62333777 0.27962722 5.76184936 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7706-67-4 6445007 170466351 A A Dimecrotic acid COc1cc(ccc1C(/C)=C/C(=O)O)OC Tox21_113846 -NCGC00016532-07 196705494 tox21-ror-cho-viability-p1 set1 4 0.00608745 -0.22466925 4.10427253 -1.53195969 -0.08882588 -1.31965459 0.0904812 -0.32755254 0.24637559 2.26832894 0.56124102 4.54971859 -0.09365901 2.43683782 2.8389634 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 695-53-4 3081 170466460 Z Dimethadione O=C1NC(=O)C(C)(C)O1 Tox21_110479_1 -NCGC00254243-01 196715061 tox21-ror-cho-viability-p1 set2 -1.1 19.3311819617 -64.033095937 1.1227549229 -62.9103410141 1.92824246 0.9944675977 0 0.18497212 0.87038448 1.35971227 0.9139922 1.29461645 -0.50865909 0.71645492 2.00899374 0.36219232 0.33731908 -0.35022056 -7.84101399 -32.07025096 -47.18583262 -61.76345703 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-20-2 7547 144210799 A A Triclocarban Clc2ccc(NC(=O)Nc1ccc(Cl)cc1)cc2Cl Tox21_300481 -NCGC00168342-02 196714641 tox21-ror-cho-viability-p1 set2 4 -3.80845944 0.79579838 -0.5265158 -2.77489876 -0.83633514 -3.31015831 -3.18809145 -5.95660861 -4.80290522 -4.52999298 -2.31154173 -1.19438373 -1.81148948 -0.25500243 -1.97892652 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00254166-01 196714646 tox21-ror-cho-viability-p1 set2 4 -1.05751777 -0.95473081 1.90068337 -0.95773073 1.04804051 -0.72249583 3.74146322 0.96450079 1.73999038 1.52105947 0.59985149 4.62703281 4.24687062 1.94918852 6.11151769 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-43-3 6641 144210389 A A Dicumyl peroxide CC(C)(OOC(C)(C)c1ccccc1)c2ccccc2 Tox21_300069 -NCGC00254405-01 196714654 tox21-ror-cho-viability-p1 set2 4 -0.06241483 2.01694461 0.82007019 -0.44323334 1.95304006 3.61693256 1.43531905 -0.23199384 1.75151872 3.10566253 2.2855392 3.06060884 6.44253299 2.43629183 0.00349485 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-55-3 7565 144210830 A A p-Bromodiphenyl ether Brc2ccc(Oc1ccccc1)cc2 Tox21_300512 -NCGC00091643-08 196715062 tox21-ror-cho-viability-p1 set2 -2.4 34.3762428541 -31.11564662 1 -30.11564662 0.6 0.8244229194 0.0045661717 0.11389542 0.74008009 2.95133948 -0.14617589 1.10832022 -0.12889358 -0.26857942 1.8399859 0.09475882 -10.99756103 0.66703902 -10.36544605 -10.31803812 -12.99802122 -21.76303885 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00254046-01 196715070 tox21-ror-cho-viability-p1 set2 4 0.25743412 1.72364382 3.53973224 1.35414482 0.20300341 1.95752196 2.03226387 0.01246124 2.08448283 0.60987128 -0.81156522 -0.02086026 4.26597124 -1.34524042 1.33478844 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 118-71-8 8369 144210438 A A Maltol CC=1OC=CC(=O)C=1O Tox21_300118 -NCGC00164077-02 196715076 tox21-ror-cho-viability-p1 set2 4 -0.22221818 0.89822641 -0.45129377 -0.07307952 1.22026992 2.24656349 2.74151783 1.47347488 2.14474045 2.21727762 2.20723425 1.97470234 5.51088625 3.28243146 4.79705203 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00258140-01 196715468 tox21-ror-cho-viability-p1 set2 4 13.7411171718 -18.912739584 0.5 -18.412739584 2.7202212143 0.8950854606 0.0007311761 1.87451504 -0.04398006 -0.36959149 1.09500069 -0.41947614 -0.0121981 -1.08008785 2.00509669 0.66508502 1.8055706 0.06235065 0.5539127 -17.01061632 -15.1694278 -6.50547376 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.96E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 402846-78-0 2734244 144207784 A A 1-Butyl-2,3-dimethylimidazolium tetrafluoroborate CCCCn1cc[n+](C)c1C.F[B-](F)(F)F Tox21_200586 -NCGC00256354-01 196727128 tox21-ror-cho-viability-p1 set3 4 -2.80774303 -2.66481967 1.51282704 0.77556366 0.23468126 -1.0440253 -0.9791556 -0.88432411 -1.68956192 -0.97459738 -4.36760984 -3.52070557 -4.54853972 -3.8204104 -0.18596554 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-63-0 7516 144213335 F Fns Phenylhydrazine NNc1ccccc1 Tox21_303018 -NCGC00256486-01 196726705 tox21-ror-cho-viability-p1 set3 4 -3.99035981 -8.02936855 -2.935246 -7.12199581 -2.84534892 -2.25319638 -6.49681739 1.25614595 -2.59193965 -1.71945904 0.34775009 -3.31672472 -5.33218845 -4.85863429 0.79165468 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 143-07-7 3893 144213327 A A Dodecanoic acid O=C(O)CCCCCCCCCCC Tox21_303010 -NCGC00257480-01 196726718 tox21-ror-cho-viability-p1 set3 4 5.4482673282 8.9149048919 -3.9149048919 5 4.9549173134 0.537919551 0.1621942501 -2.17349863 1.68040272 -6.44472167 -3.91049941 0.45107641 -8.67908741 -7.56834598 -5.26692408 -3.5167235 -0.57972837 -5.3029457 7.93270348 5.50335289 1.3829737 0.30041428 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-99-2 7169 144213900 A A Phenyl benzoate O=C(Oc1ccccc1)c2ccccc2 Tox21_303595 -NCGC00257163-01 196727127 tox21-ror-cho-viability-p1 set3 4 8.6349217992 -4.546145328 3 -1.546145328 4.9549173134 0.49878417 0.1830483229 5.80786661 3.65580661 1.4819604 3.71255843 2.96171914 0.26669111 3.74677248 2.75180098 2.20722948 0.80903779 7.88947133 0.79506035 -2.53845444 0.12862265 -2.0192988 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5809-23-4 79878 144213471 A A 2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid O=C(c1ccc(cc1O)N(CC)CC)c2ccccc2C(=O)O Tox21_303154 -NCGC00255425-01 196701464 tox21-ror-cho-viability-p1 set1 4 -1.9280373 -1.85005964 0.57168493 -3.22665622 0.73776908 -1.96311686 1.58280653 -1.34007702 -0.70026066 1.462814 -0.23206001 -2.46194527 0.68035585 0.17871394 -1.13472641 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68-96-2 6238 144211847 A A 17alpha-Hydroxyprogesterone CC(=O)[C@@]3(O)CC[C@H]2[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_301530 -NCGC00090789-02 196701039 tox21-ror-cho-viability-p1 set1 4 43.2771256911 9.9589810759 -1.9589810759 8 0.5999999999 0.449837876 0.2276010474 -6.63248423 -0.27256833 -0.11597098 0.81748412 -4.30551144 -2.87833637 -1.97156868 2.08473032 0.56863398 -3.58550918 -0.21598702 1.9809779 1.19077975 1.65063777 5.62494196 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00255110-01 196701059 tox21-ror-cho-viability-p1 set1 4 43.2771256911 7.8755807039 -3.8755807039 4 3.5117481694 0.3602849931 0.31287545 -6.6185223 -2.0691202 0.23643496 -4.70583122 -7.51620759 -2.01164619 -2.29499059 -7.81298392 -6.10156392 0.3478662 -0.06293843 -4.07652662 -4.73884207 0.01690838 3.60304325 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 464-45-9 1201518 144212602 A A [(1S)-endo]-(-)-Borneol C[C@@]12CC[C@@H](C[C@H]1O)C2(C)C Tox21_302285 -NCGC00255216-01 196701452 tox21-ror-cho-viability-p1 set1 4 0.29191632 0.29349923 1.78411731 -13.06807951 0.41421072 -7.69804163 -2.13579877 0.13602221 -0.0081342 2.15530998 -2.72899652 1.45650268 2.47707966 0.49700844 7.36297827 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95266-40-3 92421 144212223 A A Trinexapac-ethyl O=C(OCC)C1CC(=O)/C(C(=O)C1)=C(/O)C2CC2 Tox21_301906 -NCGC00254761-01 196699420 tox21-ror-cho-viability-p1 set1 4 54.4826732819 8.7050016719 -1.2050016719 7.5 2.3531167061 0.3494221394 0.3240309324 0.78256013 -0.70695054 -1.60989392 0.5813431 -8.50416806 0.09479783 1.02575565 -0.17894222 -0.45151781 -4.62727547 -0.27492232 1.46262652 -0.38175707 1.48745588 5.77319708 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-90-1 6909 144211175 Symclosene ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O Tox21_300858 -NCGC00090702-02 196699401 tox21-ror-cho-viability-p1 set1 4 68.5896218971 12.9030483159 -0.9030483159 12 3.6772481694 0.7987593206 0.0084366047 -1.17478883 -0.16975791 -1.98177829 -0.25683666 -1.79838211 0.23141963 0.70203691 0.57894793 -1.8264455 -1.08297497 -3.66920693 -2.33326588 1.00838307 0.70697232 8.88553293 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00254390-01 196699413 tox21-ror-cho-viability-p1 set1 -1.1 0.968854161 -92.8081227355 0.0655911984 -92.7425315371 2.2526478767 0.987733214 2.7E-9 0.35986278 4.43763585 2.691579 0.62763389 -2.70846218 0.26838317 -8.12076605 -9.43269299 -22.73857119 -80.13943841 -93.03867386 -89.94639803 -94.25054018 -91.10236047 -86.48692955 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 62-38-4 16682730 144210906 A Phenylmercuric acetate CC(=O)O[Hg]c1ccccc1 Tox21_300589 -NCGC00254725-01 196699417 tox21-ror-cho-viability-p1 set1 4 -0.01717846 2.4732714 -0.29830705 0.37018609 1.24881655 -0.37733598 1.05156161 0.39706736 0.79666751 0.84047497 0.20492437 0.86454563 0.64696068 0.94403758 3.69790509 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87546-18-7 443048 144211138 A A Flumiclorac-pentyl O=C(OCCCCC)COc1cc(c(F)cc1Cl)N3C(=O)C=2CCCCC=2C3=O Tox21_300821 -NCGC00254292-01 196699835 tox21-ror-cho-viability-p1 set1 4 -2.1160566 -0.64176599 -4.50341847 -4.99785267 -5.10938341 -5.73796248 -1.70719669 -4.97799713 0.25778235 -4.28717718 -0.28525252 -9.6058379 3.55331579 -6.88579544 3.35442519 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 107-21-1 174 144210954 AC A Ethylene glycol OCCO Tox21_300637 -NCGC00254064-01 196699837 tox21-ror-cho-viability-p1 set1 4 0.63045199 -0.79775265 1.46656679 1.25711771 0.88275869 -0.37423819 -0.42872453 0.93940317 -0.86414858 1.9488995 1.95588662 1.05104922 7.12802968 1.49240438 1.07053048 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-80-5 8076 144210351 A Ac 2-Ethoxyethanol CCOCCO Tox21_300031 -NCGC00255955-01 196700239 tox21-ror-cho-viability-p1 set1 4 0.24880818 -3.84125948 -0.3532458 -3.55892925 -2.92952259 -3.53382769 -4.85118805 -3.41111064 -2.60177639 -0.41307271 -0.59063378 -0.13966953 0.67176833 -2.91538025 0.66373219 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 827-19-0 23691974 144212532 A Ac Sodium 2,5-dimethylbenzenesulfonate [Na+].Cc1ccc(C)cc1S(=O)([O-])=O Tox21_302215 -NCGC00255390-01 196700255 tox21-ror-cho-viability-p1 set1 4 5.4482673282 4.6205544519 -3.6205544519 1 4.9549173134 0.3139812756 0.3570851597 -0.5491415 -2.46766658 -4.12166405 -2.61755508 -7.47089095 -3.23356106 -2.19405071 -5.5041169 -1.56844293 -0.88687253 -8.01712871 4.47349573 -3.89231481 0.26489928 3.33195311 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13472-08-7 93079 144211731 A F 2,2'-Azobis(2-methylbutanenitrile) CC(CC)(/N=N/C(C)(CC)C#N)C#N Tox21_301414 -NCGC00256196-01 196700650 tox21-ror-cho-viability-p1 set1 4 -0.30320817 3.08399897 1.518253 1.48350883 0.95532363 4.60829674 1.94623445 -12.04059804 0.70508908 3.53553884 -0.59584397 -0.16609688 0.48805228 2.80214 0.34281381 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3913-81-3 5283345 144212619 F F (2E)-2-Decenal CCCCCCC\C=C\C=O Tox21_302302 -NCGC00255200-01 196728585 tox21-ror-cho-viability-p1 set3 4 1.2015309 0.35893291 2.48835877 -1.698839 1.54326153 3.49032936 -2.24220678 -5.40059287 3.11188645 -6.19415162 2.89702658 -0.50121882 1.13312846 4.33897866 1.75947566 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-65-6 6488 144212564 A A Carbromal CCC(Br)(CC)C(=O)NC(N)=O Tox21_302247 -NCGC00255944-01 196728590 tox21-ror-cho-viability-p1 set3 4 0.2166788721 16.6725025001 1.3274974999 18 3.0654483358 0.6449678054 0.0788688015 0.67969314 -2.3006577 -3.06041875 11.05298953 1.10246347 -1.18120367 6.12547757 13.41069629 20.84744786 22.37888458 22.87957417 25.25935988 4.71767682 10.67755454 0.5910545 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 149-45-1 9001 144212465 A Ac Tiron [Na+].[Na+].Oc1c(O)cc(cc1S(=O)([O-])=O)S([O-])(=O)=O Tox21_302148 -NCGC00094521-05 196717929 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -15.1980476639 0 -15.1980476639 4.9549173134 0.6075446312 0.0923295288 3.03873074 -0.85069629 0.11109036 -0.54903948 -1.12244673 -3.52007997 -0.46618297 -3.62165131 4.93922991 -0.11924839 2.55123813 -0.63146697 -0.42250472 4.06036579 -12.66503972 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00256417-01 196718331 tox21-ror-cho-viability-p1 set2 4 0.3063785869 3.8677894239 -3.8677894239 0 4.9549173134 0.4661719535 0.2134136246 0.11128515 -1.77132532 -2.93197375 -8.63982452 -4.36595313 -3.79763009 -4.17201838 -1.37972744 -0.17016349 1.062482 -0.57342016 -0.68018874 -0.53983405 -1.47903454 2.21505019 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-19-7 5104 144213159 A A 4-Hydroxy-3-nitrophenylarsonic acid O=[N+]([O-])c1cc(ccc1O)[As](O)(O)=O Tox21_302842 -NCGC00093351-06 196717931 tox21-ror-cho-viability-p1 set2 4 2.94491965 0.58695015 1.1281331 1.35726985 3.89931646 4.70914812 6.60777711 0.13880456 1.78431288 1.22088029 3.00173098 4.40492889 1.54272861 0.71280408 7.42232836 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35607-66-0 441199 170465105 F Cefoxitin O=C(O)C=2N3C(=O)[C@](NC(=O)Cc1cccs1)(OC)[C@H]3SCC=2COC(N)=O Tox21_113009_1 -NCGC00091632-02 196717934 tox21-ror-cho-viability-p1 set2 4 0.6113056486 5.7513170519 -5.2513170519 0.5 4.9549173134 0.4352103962 0.2568777084 -2.44699248 -9.95436953 -3.56403544 -7.22646911 -0.83325317 -4.00630954 -1.65723162 -11.04276421 0.10535656 -0.02928261 1.38532213 -1.94064005 0.90176644 0.3935836 -12.43527183 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00256597-01 196718337 tox21-ror-cho-viability-p1 set2 4 -0.26424367 0.95048913 -3.54132811 -4.39221509 -4.03149637 0.37565476 -2.81450769 -0.97338647 -0.48683319 0.53091036 -2.80810978 0.20909954 1.19494739 -0.23287885 -0.6238324 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-52-4 7991 144213347 Ac Pentanoic acid CCCCC(=O)O Tox21_303030 -NCGC00256477-01 196718339 tox21-ror-cho-viability-p1 set2 4 0.3574395 1.53595878 4.11889191 2.81403457 -0.2774604 5.92442069 3.1377919 3.75743823 1.5814454 0.59948169 3.24242999 3.97805478 4.3412607 3.26399776 2.77641858 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 615-53-2 12001 144213189 F D N-Nitroso-N-methylurethane CN(N=O)C(=O)OCC Tox21_302872 -NCGC00256314-01 196718347 tox21-ror-cho-viability-p1 set2 4 -0.78764707 0.07236049 2.82783443 -2.49505751 -0.04432579 0.47517385 0.62880526 0.28538479 -0.0219481 3.66104785 6.88713356 -0.40738552 -0.59981445 -1.9768975 4.60817348 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 123-76-2 11579 144213046 A A 4-Oxopentanoic acid CC(=O)CCC(=O)O Tox21_302729 -NCGC00256356-01 196718757 tox21-ror-cho-viability-p1 set2 4 0.01356771 1.59901616 2.58910427 -1.95777386 -4.4203454 0.6144088 0.58088712 3.34620059 -7.15583735 2.54956025 -0.39940386 -2.0712321 -1.1770996 -3.96021704 -0.38497135 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-84-6 660 144213062 Ac Ac 3,4-Dihydrocoumarin O=C1CCc2ccccc2O1 Tox21_302745 -NCGC00257478-01 196718761 tox21-ror-cho-viability-p1 set2 4 0.95407245 -0.44345043 0.26276229 3.1324754 1.5625828 3.32979462 -0.39409567 2.70428433 2.5236965 2.42829521 4.27684929 7.92306085 3.4591754 0.49755093 0.63090855 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1625-91-8 74195 144213866 A Ac 4,4'-Di-tert-butylbiphenyl CC(C)(C)c1ccc(cc1)c2ccc(cc2)C(C)(C)C Tox21_303561 -NCGC00256478-01 196718762 tox21-ror-cho-viability-p1 set2 4 -0.15846825 -0.0912826 5.05761266 2.58928486 -2.14657788 0.98210408 1.63406833 0.90646995 8.31758376 0.77061548 6.29270436 6.29477105 -0.22332954 0.80668414 0.76590644 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6959-48-4 23394 144213204 A D 3-(Chloromethyl)pyridine hydrochloride Cl.ClCc1cccnc1 Tox21_302887 -NCGC00256552-01 196719159 tox21-ror-cho-viability-p1 set2 4 -0.05337837 0.6386837 -0.78546766 4.01662282 1.88572754 4.89260135 1.37992199 6.35451128 3.11743542 3.83286663 7.10048519 -0.02812625 0.2448232 1.91206973 0.87875019 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 150-76-5 9015 144213193 A A 4-Methoxyphenol Oc1ccc(OC)cc1 Tox21_302876 -NCGC00091163-03 196719173 tox21-ror-cho-viability-p1 set2 4 1.93044214 0.55688113 0.95625145 4.17745504 1.36806035 5.73146482 0.70696579 5.46701368 6.05957664 5.70749054 7.61756787 0.07448222 2.44268309 0.93747203 3.33641755 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00254093-01 196719609 tox21-ror-cho-viability-p1 set3 4 -1.64719119 -1.73197804 0.40293752 3.29709125 -5.02249638 -5.45166073 1.6767087 3.5598421 -4.23172775 -2.32768287 -2.40665928 -0.33365863 -3.43862586 2.07469494 3.16631665 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68-12-2 6228 144210359 AC Ac N,N-Dimethylformamide CN(C)C=O Tox21_300039 -NCGC00254531-01 196719610 tox21-ror-cho-viability-p1 set3 4 5.83072912 -2.34689616 10.06380776 6.88667788 5.07533944 -2.68227482 -2.90494738 -3.84312697 12.68227807 2.10607785 19.29310403 5.91334344 -6.54385145 -6.32597203 7.39208139 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-33-3 2272 144210813 C I Azobenzene N(=N/c1ccccc1)\c2ccccc2 Tox21_300495 -NCGC00255140-01 196701431 tox21-ror-cho-viability-p1 set1 4 -2.52033771 1.32794897 -1.98432941 -2.26913147 -3.19936178 -5.13186247 -0.33403066 -2.65250336 1.41102771 0.19922429 -1.64420761 -0.78224927 -1.03026439 0.09401806 1.18514305 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 31698-14-3 25051 144212132 F A Cyclocytidine N=C2N=C3O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1N3C=C2 Tox21_301815 -NCGC00255539-01 196700613 tox21-ror-cho-viability-p1 set1 4 0.13534468 2.70975865 -1.00405954 1.07531897 0.96052113 -0.28169743 -1.55013924 -1.30952556 -1.07126113 3.32267937 1.00853687 -0.508391 -1.46427773 -1.9033545 -1.65217218 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 41483-43-6 38884 144211744 A A Bupirimate CCNc1nc(C)c(CCCC)c(OS(=O)(=O)N(C)C)n1 Tox21_301427 -NCGC00256187-01 196700616 tox21-ror-cho-viability-p1 set1 4 30.6378586933 -8.661474616 1 -7.661474616 4.9549173134 0.6585842744 0.0729825068 0.92357155 1.30026296 -0.62178148 -0.47144161 -0.0242907 0.92681271 -0.70796642 -0.14501163 1.01429028 4.56455082 0.58469224 2.32121989 0.40387871 -6.38456218 5.90346738 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6770-38-3 81239 144211797 A A 1,4-Bis(methoxymethyl)benzene COCc1ccc(cc1)COC Tox21_301480 -NCGC00255163-01 196701017 tox21-ror-cho-viability-p1 set1 4 -6.56102002 -8.17701924 -3.71385692 -4.65310185 -3.43888661 2.06132845 -9.43025118 -2.96228434 1.73793477 -7.81169866 -2.076323 -2.95393407 -9.78883426 -2.51316497 -0.085194 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 71-23-8 1031 144212757 A Ac 1-Propanol CCCO Tox21_302440 -NCGC00255664-01 196701434 tox21-ror-cho-viability-p1 set1 4 30.6378586933 -19.578131812 2.5 -17.078131812 1.4487170999 0.8191928387 0.0052099125 0.05495309 3.76345881 4.99556792 0.09993602 0.11063651 6.6932096 0.25755214 -0.18295666 3.47413683 5.17489844 4.45575301 -0.88161171 -5.12019087 -7.67856287 -14.23177651 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27306-78-1 60196421 144212086 A F Silwet L77 C[Si](CCCOCCCCCCCCOC)(O[Si](C)(C)C)O[Si](C)(C)C Tox21_301769 -NCGC00255519-01 196701440 tox21-ror-cho-viability-p1 set1 4 -8.31031426 -1.16087594 -0.4587551 -1.52700598 1.85845752 -1.00612183 -2.16371997 -0.7537554 -1.84147005 -0.94073957 0.47303232 -0.59049605 -0.18480591 -10.50150301 0.57347049 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57018-04-9 91664 144211664 A A Tolclofos-methyl Clc1cc(C)cc(Cl)c1OP(=S)(OC)OC Tox21_301347 -NCGC00255442-01 196701448 tox21-ror-cho-viability-p1 set1 4 76.9588215421 10.766267224 -1.766267224 9 4.9549173134 0.4662477447 0.2125324064 -0.68580322 0.87431238 -0.97669065 -1.62779865 -5.07975179 -5.63855602 -1.8543393 -1.75889556 -5.48711484 0.08282834 0.35104298 -0.878178 0.80525855 -1.60704232 6.00178977 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2687-94-7 3033871 144211867 A A N-Octyl-2-pyrrolidone O=C1CCCN1CCCCCCCC Tox21_301550 -NCGC00258238-01 196701848 tox21-ror-cho-viability-p1 set1 4 -6.76002497 -7.49698411 -4.16523 -0.49122677 -4.98675795 -6.94594398 -16.47010388 -0.70011527 -5.74695346 -0.06183099 -9.12021728 -2.15547176 -7.20605193 -7.34138924 -5.48291393 1.1699999999E-9 2.6159999999E-9 5.85E-9 1.3079999999E-8 2.925E-8 6.5409999999E-8 1.463E-7 3.27E-7 7.3129999999E-7 0.000001635 0.000003656 0.000008176 0.00001828 0.00004088 0.00009141 3748-13-8 77353 144207882 A Ac 1,3-Diisopropenylbenzene CC(=C)c1cccc(c1)C(=C)C Tox21_200684 -NCGC00258115-01 196701857 tox21-ror-cho-viability-p1 set1 -2.1 53.7079110036 -67.7754576087 1.6476794519 -66.1277781568 4.4494702849 0.9729550382 2.691E-7 -1.36903596 3.63397018 -0.18620893 3.95386929 -1.28009472 -0.35416257 4.28089224 1.55493311 7.82034324 -0.77422718 -1.42146435 2.56113448 3.46928913 -12.46946488 -60.70286224 1.166E-9 2.6069999999E-9 5.83E-9 1.304E-8 2.9149999999E-8 6.518E-8 1.457E-7 3.259E-7 7.287E-7 0.0000016299999999 0.0000036439999999 0.0000081479999999 0.00001822 0.00004074 0.00009109 134-09-8 8633 144207759 A A Menthyl anthranilate O=C(OC1CC(C)CCC1C(C)C)c2ccccc2N Tox21_200561 -NCGC00258276-01 196702261 tox21-ror-cho-viability-p1 set1 4 -5.76296751 -1.96622584 -5.77511045 -1.34787838 -8.74132182 -8.76084273 -3.21447051 0.73017983 -2.03574263 -2.51686547 -5.68413501 -5.73139391 -3.86990033 -5.44453965 -5.37208277 1.212E-9 2.711E-9 6.0619999999E-9 1.3549999999E-8 3.031E-8 6.7769999999E-8 1.515E-7 3.3889999999E-7 7.577E-7 0.0000016939999999 0.000003789 0.000008472 0.00001894 0.000042359999999 0.000094709999999 494-90-6 329983 144207920 FNS Menthofuran CC1Cc2occ(C)c2CC1 Tox21_200722 -NCGC00258251-01 196702294 tox21-ror-cho-viability-p1 set1 -1.1 9.7279659745 -61.553716646 -4.992336588 -66.546053234 1.9673362061 0.9303131085 0.0000501281 -6.39021505 3.21405733 -2.86773732 -2.77121081 -3.86785828 -13.56207256 -9.03773638 -3.21815195 -2.47865974 -12.05992458 -14.54855244 -19.93390864 -66.70930855 -62.28723114 -60.01788111 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 258864-54-9 11375816 144207895 A A Trihexyltetradecylphosphonium chloride [Cl-].CCCCCC[P+](CCCCCC)(CCCCCC)CCCCCCCCCCCCCC Tox21_200697 -NCGC00255522-01 196701472 tox21-ror-cho-viability-p1 set1 4 5.33882174 0.90910546 -0.01200355 11.71874187 4.24254244 -0.61543449 -0.48589044 4.95197071 0.47103828 -2.82070391 -0.16593868 -0.03242122 1.68490412 0.45012734 1.70355353 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 29094-61-9 3478 144212151 A A Glipizide Cc1cnc(cn1)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3 Tox21_301834 -NCGC00258524-01 196729823 tox21-ror-cho-viability-p1 set3 4 2.7973820538 -11.343501452 0 -11.343501452 2.9022712143 0.9752777469 5.556E-7 0.4261286 0.61021324 -0.72522967 0.74045879 -1.61208732 -1.48768762 -0.49624247 -0.00169776 0.35026652 -2.641293 -8.02369431 -10.85678025 -11.53625121 -11.12812092 -4.70380061 1.204E-9 2.692E-9 6.02E-9 1.346E-8 3.01E-8 6.73E-8 1.5049999999E-7 3.365E-7 7.5239999999E-7 0.000001683 0.0000037619999999 0.000008413 0.000018809999999 0.00004206 0.00009406 123-91-1 31275 144208169 1,4-Dioxane C1COCCO1 Tox21_200971 -NCGC00255257-01 196729002 tox21-ror-cho-viability-p1 set3 -2.4 61.130564862 -36.749980664 2.5 -34.249980664 1.6435888099 0.860206699 0.0016311481 1.84609873 4.96332071 3.17802698 4.00915626 0.23300821 -0.41595507 3.45047749 5.4357371 2.21956519 6.81440812 0.96146444 -2.98275464 -5.92817655 -5.42605636 -25.20831722 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-04-0 2723 144212364 A A 4-Chloro-3,5-dimethylphenol Oc1cc(C)c(Cl)c(C)c1 Tox21_302047 -NCGC00257642-01 196729411 tox21-ror-cho-viability-p1 set3 4 0.0414384 1.20674373 1.32299263 2.78015682 0.76305686 3.64306432 0.37498105 2.11434123 4.2860039 4.40879673 2.12109677 3.56907418 6.59688422 0.46392244 5.13660694 1.203E-9 2.6889999999E-9 6.013E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.361E-7 7.516E-7 0.0000016809999999 0.000003758 0.000008403 0.000018789999999 0.00004202 0.00009395 4635-87-4 20750 144207286 AC Ac 3-Pentenenitrile CC=CCC#N Tox21_200088 -NCGC00258657-01 196729415 tox21-ror-cho-viability-p1 set3 4 -0.46495185 -4.89406192 1.43455078 0.54811012 3.64013955 -2.24718809 1.35654285 1.07432709 2.93967436 4.35774285 3.15670377 4.43813068 -1.35141652 -2.01355486 0.14011098 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 262297-13-2 11424880 144208303 A 1-Butyl-3-methylimidazolium hydrogensulfate CCCCn1cc[n+](C)c1.[O-]S(=O)(=O)O Tox21_201105 -NCGC00257739-01 196729824 tox21-ror-cho-viability-p1 set3 4 41.9601863715 8.86467268 -3.36467268 5.5 3.9294729863 0.4862446699 0.1932596725 -4.67813635 0.17116834 0.4361125 -4.76336852 -6.25345294 -3.72120011 -2.22774038 -1.40198689 -2.08945731 -6.5538939 -3.70612774 0.02090631 -5.91373331 0.84882039 5.0559615 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.875E-8 6.429E-8 1.438E-7 3.215E-7 7.188E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.00004018 0.000089849999999 13284-42-9 25833 144207383 FNS 2-Pentenenitrile CCC=CC#N Tox21_200185 -NCGC00257750-01 196729826 tox21-ror-cho-viability-p1 set3 4 0.54263994 0.52407965 2.60460859 -0.23383846 1.37713538 0.92183837 1.3205611 1.33499183 6.2070347 -0.79909156 1.87844906 -0.0986674 2.14185371 2.29677654 -0.29802809 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.00004119 0.000092099999999 41663-84-7 92321 144207394 A A 2-Methyl-5-nitro-1H-isoindole-1,3(2H)-dione [O-][N+](=O)c1ccc2C(=O)N(C)C(=O)c2c1 Tox21_200196 -NCGC00258612-01 196729835 tox21-ror-cho-viability-p1 set3 4 0.0013560268 8.769279808 -8.769279808 0 4.9549173134 0.3825329508 0.2932490793 -6.47439984 1.26863839 -0.66044351 -5.72515416 0.41774513 0.30451353 0.48137988 -0.77103419 0.23760489 4.15910521 0.58237967 -0.3409885 2.93264643 1.26247244 -0.97614948 1.171E-9 2.618E-9 5.854E-9 1.3089999999E-8 2.927E-8 6.545E-8 1.464E-7 3.2729999999E-7 7.3179999999E-7 0.0000016359999999 0.0000036589999999 0.000008182 0.00001829 0.000040909999999 0.000091469999999 100-50-5 7508 144208257 A D 3-Cyclohexene-1-carboxaldehyde O=CC1CC=CCC1 Tox21_201059 -NCGC00258025-01 196729848 tox21-ror-cho-viability-p1 set3 4 -1.28299075 1.05731257 0.87192871 0.45031362 0.07319203 0.37460817 1.78394847 2.02411902 4.25497512 -1.59409379 0.09568396 3.86627075 0.48590892 1.19691779 -3.1132654 1.21E-9 2.7049999999E-9 6.048E-9 1.352E-8 3.024E-8 6.7619999999E-8 1.512E-7 3.381E-7 7.5599999999E-7 0.000001691 0.00000378 0.0000084529999999 0.0000189 0.00004226 0.000094499999999 122-96-3 67151 144207669 A A 1,4-Piperazinediethanol OCCN1CCN(CC1)CCO Tox21_200471 -NCGC00257744-01 196730257 tox21-ror-cho-viability-p1 set3 4 -1.22343446 1.70914398 0.10777521 0.34444974 2.65797696 2.66841124 1.51461215 -2.20963011 2.2275937 -0.92045841 2.68162277 -0.71472795 -2.2153013 -1.24314106 1.14958173 1.188E-9 2.657E-9 5.941E-9 1.3289999999E-8 2.971E-8 6.6429999999E-8 1.4849999999E-7 3.321E-7 7.427E-7 0.0000016609999999 0.000003713 0.000008303 0.00001857 0.00004152 0.000092829999999 89-40-7 6969 144207388 A A 4-Nitrophthalimide [O-][N+](=O)c1ccc2C(=O)NC(=O)c2c1 Tox21_200190 -NCGC00257934-01 196730258 tox21-ror-cho-viability-p1 set3 4 0.74504201 0.06007356 3.66109439 6.39277253 4.53658521 -0.24257328 1.18096231 3.88467514 6.21521798 9.96932849 3.58042352 6.18996935 1.07167669 5.68643044 3.11018613 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.53E-8 1.4599999999E-7 3.265E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.000008162 0.00001825 0.00004081 0.00009125 95-68-1 7250 144207578 A A 2,4-Dimethylaniline Cc1ccc(N)c(C)c1 Tox21_200380 -NCGC00090731-08 196723694 tox21-ror-cho-viability-p1 set3 4 -3.6823447 3.42713575 7.55092581 -3.94926005 -2.55485393 4.04360515 7.37199746 6.12477983 13.46257025 3.53271963 8.67242188 -3.23843224 -1.51200177 4.11951574 5.55530882 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122-99-6 31236 170465671 F 2-Phenoxyethanol OCCOc1ccccc1 Tox21_111002_1 -NCGC00021466-05 196723280 tox21-ror-cho-viability-p1 set3 4 0 1.90663715 -0.51512087 -5.53206249 -2.35625357 -9.12132789 -0.58310084 -1.01581925 4.08627048 -1.63177343 5.1060957 0.89160339 -1.74655241 -0.44804237 -3.27639769 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 434-03-7 5284557 170466182 A Ethisterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@@]1(O)C#C)=C4 Tox21_111604_1 -NCGC00091011-05 196723288 tox21-ror-cho-viability-p1 set3 2.2 24.3365162115 56.9177485044 -1.8134161079 55.1043323965 1.752947691 0.9455787213 0.0000133404 -3.08218559 1.67622192 -1.87970829 -0.71200781 -2.60612637 1.20990513 1.50976997 -1.21504194 -1.82189523 -5.50251023 -6.51118009 4.67826742 25.36117239 30.51545119 54.62093897 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00249907-01 196723289 tox21-ror-cho-viability-p1 set3 4 0.3757803576 -6.1382180799 1 -5.1382180799 3.0654483358 0.3492064811 0.3373345361 1.24453704 -0.93180323 -0.01394964 0.86997833 0.15126357 5.7101712 0.84380831 0.0321886 -1.6771599 -4.5449258 -15.5318484 -2.44363421 2.04461138 -3.83645249 6.39130736 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61-56-3 5356 170465788 A A Sulthiame O=S2(=O)CCCCN2c1ccc(cc1)S(N)(=O)=O Tox21_113683 -NCGC00262945-01 196723701 tox21-ror-cho-viability-p1 set3 4 -2.3144275 -0.46200907 -0.12036444 -0.54218042 -1.70272102 -4.12967324 -2.12779255 -1.76711391 -6.01645809 5.03888413 -10.02195367 -8.74776908 -0.40538271 -1.99294923 -1.6449765 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 366789-02-8 6433119 170466121 A A Rivaroxaban O=C(NCC3CN(c1ccc(cc1)N2CCOCC2=O)C(=O)O3)c4ccc(Cl)s4 Tox21_113938 -NCGC00262954-01 196723702 tox21-ror-cho-viability-p1 set3 4 1.19903428 -1.95105712 2.73191723 -1.57613814 2.84691116 -0.03621896 2.90449878 -0.62485793 -13.58965004 5.578419 8.87745836 -2.93820772 -2.8389208 -2.34890814 4.64171706 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 331741-94-7 206044 170466259 A F Muraglitazar COc1ccc(cc1)OC(=O)N(CC(=O)O)Cc2ccc(cc2)OCCc3nc(oc3C)c4ccccc4 Tox21_113946 -NCGC00015713-13 196723704 tox21-ror-cho-viability-p1 set3 4 -15.59964315 -14.39490473 -10.76160727 -32.6225691 -6.91205149 -19.16757478 -10.08508414 -20.8969808 -3.69910247 -7.00678571 -5.0003792 -6.40703951 -10.45891748 -12.18503895 -4.97248827 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 39562-70-4 4507 170465897 A Nitrendipine CC=1NC(C)=C(C(C=1C(=O)OCC)c2cccc(c2)[N+]([O-])=O)C(=O)OC Tox21_110201_1 -NCGC00257520-01 196720018 tox21-ror-cho-viability-p1 set3 4 0.0385707789 5.8328624359 -6.3328624359 -0.5 2.4063783767 0.5476950792 0.1389262068 -1.43705964 -8.76929133 -6.23790436 -10.69405203 -2.79420021 -1.95938513 -1.8053003 -0.12574625 -1.61507611 0.03718803 -3.2512122 -0.7284804 -2.35143945 1.12469621 2.44094132 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-85-6 66854 144211073 F Benzyltrimethylammonium hydroxide [OH-].C[N+](C)(C)Cc1ccccc1 Tox21_300756 -NCGC00254060-01 196719612 tox21-ror-cho-viability-p1 set3 4 -1.01321205 1.58877746 -1.1071199 6.5764626 -0.18603217 -7.73086819 0.23310774 3.77547743 -8.04784726 0.93334475 -1.57002575 4.62977106 0.83410921 1.56084545 3.49232277 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76-03-9 6421 144210507 Trichloroacetic acid ClC(Cl)(Cl)C(=O)O Tox21_300187 -NCGC00254080-01 196719616 tox21-ror-cho-viability-p1 set3 4 4.48185935 -1.44994927 6.20509635 -2.72477961 5.91055595 3.96514885 -18.59729667 3.46082424 1.64680188 2.77584503 -3.06403688 -2.93819998 5.70729888 0.95035066 3.11464722 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-69-3 8128 144210346 A A Hexanedinitrile N#CCCCCC#N Tox21_300026 -NCGC00254907-01 196719621 tox21-ror-cho-viability-p1 set3 4 0.0685896219 9.3589834759 -9.8589834759 -0.5 1.4641 0.7993462925 0.0081537821 -9.5455263 -13.63248623 -4.13344889 -10.90412435 -7.66218551 -5.45190601 -2.78810785 -0.54008938 -0.28940664 -1.24569299 -2.08562368 -1.4991247 1.14556158 0.07173325 -1.33833562 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-33-8 8046 144211322 A Fc Dihexyl hexanedioate O=C(CCCCC(=O)OCCCCCC)OCCCCCC Tox21_301005 -NCGC00254201-01 196720042 tox21-ror-cho-viability-p1 set3 4 4.8557733675 -9.3310771599 9 -0.3310771599 4.9549173134 0.4355445879 0.2380316367 6.99109274 2.90212452 7.21336668 9.16516757 8.1748795 8.01157542 15.54630414 21.98895842 5.63458463 4.22544379 8.09379644 -3.1925643 -1.25310203 -0.11227875 3.32768505 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-97-8 7471 144210382 B N,N,4-Trimethylaniline Cc1ccc(cc1)N(C)C Tox21_300062 -NCGC00091586-02 196705144 tox21-ror-cho-viability-p1 set1 4 64.9095650958 -17.757523372 -0.5 -18.257523372 4.9549173134 0.7969681702 0.0085808601 0.358064 1.1265089 -1.35599694 -0.43399115 -0.50563501 -0.40926253 0.33796265 0.06826056 -0.67723181 -5.93456403 -1.2606293 1.72724603 -0.00072903 1.29694209 -15.21460281 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00015818-14 196704738 tox21-ror-cho-viability-p1 set1 4 1.01634314 0.4735187 -3.09557478 1.4904288 1.6647424 1.9274817 0.97450986 0.84640642 1.29998678 -2.92246967 0.79238917 -0.21608622 -2.8566394 0.24620926 -1.69770258 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55268-74-1 4891 170464906 A Praziquantel O=C2CN(CC1c3ccccc3CCN12)C(=O)C4CCCCC4 Tox21_110660_1 -NCGC00160556-02 196704748 tox21-ror-cho-viability-p1 set1 -3 29.8492948118 -41.3278594 -1.786551996 -43.114411396 4.9549173134 0.9282823112 0.0000585047 0.6432157 -1.68234388 -4.50643118 -4.8401082 2.19527915 -1.32725535 4.02017713 -3.05163998 -1.70447266 -2.20917913 -6.53549061 -3.118747 -1.27214362 -7.14541753 -38.84534283 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 22662-39-1 31475 170466601 Z Rafoxanide Clc2cc(ccc2Oc1ccc(Cl)cc1)NC(=O)c3cc(I)cc(I)c3O Tox21_111896_1 -NCGC00016221-06 196705147 tox21-ror-cho-viability-p1 set1 4 -1.18207814 -0.92950516 -3.21702155 1.89630673 -3.85150263 1.46240087 0.22998227 2.11924419 0.30181204 -2.85402239 -3.66759917 -2.18465447 -3.94100388 0.23355603 -3.24414818 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-42-0 5763 170466520 A Adiphenine hydrochloride Cl.CCN(CC)CCOC(=O)C(c1ccccc1)c2ccccc2 Tox21_111379_1 -NCGC00263474-01 196705153 tox21-ror-cho-viability-p1 set1 4 0.59857586 0.32721015 -0.22882756 -1.33086555 -3.02756686 -1.09851589 0.14782249 -1.82391394 -1.8023879 0.04577098 -3.03388164 -2.03119188 0.59229571 -1.96141927 5.7035376 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 957-68-6 441328 170466731 A 7-Aminocephalosporanic acid O=C(O)C=1N2C(=O)[C@@H](N)[C@H]2SCC=1COC(C)=O Tox21_110490_1 -NCGC00091602-02 196702697 tox21-ror-cho-viability-p1 set1 4 30.2643542142 -6.5964730839 0.5 -6.0964730839 4.9549173134 0.4168778688 0.258345328 1.71314897 -5.36737027 0.93087598 -4.23665444 0.49039322 0.87180249 1.62138718 1.21380274 -0.40362551 0.62939888 5.37083362 2.64917942 1.43594845 -5.3741943 -5.91372757 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00258252-01 196702265 tox21-ror-cho-viability-p1 set1 4 0.0178792252 -8.1290567799 -2 -10.1290567799 3.0654483358 0.54461648 0.1566375727 -7.90586285 0.02236746 0.04573758 -3.97972618 -10.17666799 -6.90106831 -10.5367291 -15.94088065 -6.30884766 -11.86949631 -8.4337194 -12.17748497 -7.7205111 -11.24968984 -4.73226251 1.2169999999E-9 2.722E-9 6.087E-9 1.361E-8 3.044E-8 6.8059999999E-8 1.522E-7 3.403E-7 7.609E-7 0.0000017009999999 0.000003805 0.000008507 0.000019019999999 0.000042539999999 0.00009512 3699-54-5 77290 144207896 A A 1-(2-Hydroxyethyl)-2-imidazolidinone O=C1NCCN1CCO Tox21_200698 -NCGC00258391-01 196702281 tox21-ror-cho-viability-p1 set1 4 -2.20703643 1.39797213 -1.11214824 3.83970348 1.5675976 0.99960202 5.71987047 1.03047869 -3.33498976 -3.1480339 5.91954087 4.49505 5.1737268 4.87042974 -6.64015662 1.202E-9 2.688E-9 6.0119999999E-9 1.344E-8 3.006E-8 6.721E-8 1.503E-7 3.361E-7 7.5139999999E-7 0.0000016799999999 0.0000037569999999 0.000008401 0.000018789999999 0.00004201 0.00009393 619-23-8 12078 144208035 D 3-Nitrobenzyl chloride O=[N+]([O-])c1cc(CCl)ccc1 Tox21_200837 -NCGC00258179-01 196702676 tox21-ror-cho-viability-p1 set1 4 -5.87635781 -1.53398809 -7.17583247 -0.43842769 1.26023577 -7.56565617 -13.01675715 3.36178921 -0.8926213 -7.63873143 -1.82888567 -4.14835197 -1.42599316 -2.69354565 5.75851517 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.2869999999E-7 7.351E-7 0.0000016439999999 0.0000036749999999 0.000008218 0.000018379999999 0.00004109 0.00009188 223436-99-5 53316417 144207823 Ac 1-Ethyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide C[N+]1(CC)CCCC1.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F Tox21_200625 -NCGC00164164-02 196702698 tox21-ror-cho-viability-p1 set1 4 4.26235163 1.09270146 0.27080974 7.26054206 4.2665077 5.29278161 6.10132084 5.56699706 5.90616547 3.29867325 -0.99418718 -0.05041272 7.2647593 4.11278248 5.79611611 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00357233-01 196703100 tox21-ror-cho-viability-p1 set1 4 3.52751805 -0.16146784 4.94489557 1.00679407 5.24412478 2.19240143 3.72473498 3.39769145 1.79152987 -2.32234836 0.95241787 8.01741436 6.58324154 5.67214363 9.62322762 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 20662-14-0 71311389 251919884 Scandium chloride hexahydrate O.O.O.O.O.O.Cl[Sc](Cl)Cl Tox21_304021 -NCGC00090780-04 196703110 tox21-ror-cho-viability-p1 set1 4 0.00465571 -1.4795364 -0.2270655 6.36568255 1.16465976 -1.34720284 0.76999355 6.04498937 6.15420727 3.91441987 0.28194501 -4.17282253 1.05475087 -0.27523332 -3.89600087 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00090721-03 196703113 tox21-ror-cho-viability-p1 set1 4 1.08890698 2.78550253 10.83186319 3.2848836 1.87182863 4.37661787 7.61026596 2.55237523 2.27375533 3.41583096 3.92943383 4.60494465 4.42716151 4.96257858 0.12484577 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00257633-01 196730579 tox21-ror-cho-viability-p1 set3 4 -1.92395941 0.68494084 0.12085645 1.12331571 -1.45839229 2.6454075 1.08927633 0.27715816 2.97834393 0.0135518 1.53109452 -2.95665622 -0.64744381 -0.4984536 -1.25379487 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.61E-8 1.4779999999E-7 3.305E-7 7.3899999999E-7 0.0000016519999999 0.0000036949999999 0.000008262 0.000018469999999 0.00004131 0.00009237 354-58-5 9635 144207277 1,1,1-Trichloro-2,2,2-trifluoroethane ClC(Cl)(Cl)C(F)(F)F Tox21_200079 -NCGC00258655-01 196730589 tox21-ror-cho-viability-p1 set3 4 0.0534316596 4.9641557919 -3.9641557919 1 1.2221 0.524897706 0.1593666256 0.00309871 -8.30346316 -5.14954888 0.36372819 -4.41695836 -0.15037351 -0.4838334 0.10450925 1.04344144 1.47882017 1.14346679 1.24121498 1.79830791 1.14164213 0.38351972 1.1609999999E-9 2.5969999999E-9 5.8069999999E-9 1.299E-8 2.9039999999E-8 6.493E-8 1.4519999999E-7 3.246E-7 7.259E-7 0.000001623 0.000003629 0.000008116 0.000018149999999 0.000040579999999 0.000090739999999 100-74-3 7525 144208301 FC N-Ethylmorpholine CCN1CCOCC1 Tox21_201103 -NCGC00257643-01 196730599 tox21-ror-cho-viability-p1 set3 4 0.49260772 0.15058745 0.31074618 2.92779018 2.76861132 0.45227891 0.27020294 -0.10848019 3.3314431 1.05124351 0.1526484 1.41432598 5.20670321 0.34246995 2.74216274 1.1919999999E-9 2.6649999999E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004163 0.000093099999999 589-18-4 11505 144207287 A A 4-Methylbenzyl alcohol Cc1ccc(CO)cc1 Tox21_200089 -NCGC00258444-01 196724103 tox21-ror-cho-viability-p1 set3 -3 75.6302711964 -48.4493244445 -3.7526434 -52.2019678445 4.9549173134 0.8822529534 0.0007203138 -3.98728914 0.04922342 -2.98359065 -1.85915683 -3.89520107 -8.22174939 -4.4603033 1.09630079 -6.28642492 -9.93855921 -3.15227689 -8.18167189 -1.26317258 -0.51051861 -41.43013321 1.163E-9 2.602E-9 5.817E-9 1.301E-8 2.909E-8 6.5039999999E-8 1.454E-7 3.252E-7 7.2719999999E-7 0.0000016259999999 0.000003636 0.00000813 0.00001818 0.00004065 0.000090889999999 793-24-8 13101 144208088 A B N-(1,3-Dimethylbutyl)-N'-phenyl-p-phenylenediamine CC(C)CC(C)Nc1ccc(cc1)Nc2ccccc2 Tox21_200890 -NCGC00254095-01 196700006 tox21-ror-cho-viability-p1 set1 4 -0.53883277 5.54096433 0.88413441 2.52243119 -0.48374316 1.96022015 -0.25813988 -0.48311397 2.60247655 3.26583061 2.15575523 2.61912607 6.08523645 1.78577968 1.7201146 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 54-11-5 89594 144210494 A Ac Nicotine CN2CCC[C@H]2c1cnccc1 Tox21_300174 -NCGC00260530-01 196724119 tox21-ror-cho-viability-p1 set3 -2.2 54.4826732819 -67.8444647077 -3.212962403 -71.0574271107 2.2526478767 0.9732700936 2.518E-7 -5.34948959 -4.9818734 -3.7652676 0.31871043 1.78308834 -3.86280724 -1.39674841 -2.24448483 -2.53603046 -5.84383374 -4.00947016 -8.6124873 -7.77969936 -26.7454874 -55.34653569 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 120-32-1 8425 144210183 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_202985 -NCGC00260526-01 196724100 tox21-ror-cho-viability-p1 set3 -2.4 27.4727179077 -19.8209514799 -3 -22.8209514799 4.9549173134 0.8291730852 0.0040496638 -3.01872102 -7.70272196 -4.50762377 -1.19504996 -5.19808925 -5.22550122 -4.41260765 -0.56180419 -0.44285387 0.76332826 -4.04396214 -3.08730113 -2.74212977 -26.1007929 -18.43035377 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.6299999999E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008287 0.00001853 0.000041439999999 0.00009265 56803-37-3 70425 144210178 C C tert-Butylphenyl diphenyl phosphate CC(C)(C)c3ccc(OP(=O)(Oc1ccccc1)Oc2ccccc2)cc3 Tox21_202980 -NCGC00357222-01 196724114 tox21-ror-cho-viability-p1 set3 4 -5.56877554 -1.29727994 -3.12232727 -4.72531684 1.0936371 1.1089441 3.15374703 2.42429825 2.64475149 2.60657137 -4.93851474 0.42948286 -0.34491166 -7.61661882 1.72633875 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 616-47-7 1390 251919921 A 1-Methylimidazole Cn1ccnc1 Tox21_304006 -NCGC00249915-01 196697948 tox21-ror-cho-viability-p1 set1 4 6.03992564 3.89172312 1.58669084 3.82820467 4.97860092 2.4083774 2.38769121 5.81740302 3.25608717 1.7585535 2.01567959 2.02584309 0.34590975 4.27167543 0.78126355 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14556-46-8 2475 170465802 A A Bupranolol Clc1ccc(C)cc1OCC(O)CNC(C)(C)C Tox21_113691 -NCGC00163903-03 196697960 tox21-ror-cho-viability-p1 set1 4 32.4852017048 -7.775197332 1.5 -6.275197332 4.9549173134 0.5550374213 0.1513593952 0.82209851 6.23473146 1.98201201 1.1111832 1.55719147 1.73522873 -0.42370165 2.47791952 0.65440086 0.52007716 -0.3697312 1.51608512 1.6965258 -5.22933111 2.1201011 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00274065-01 196697962 tox21-ror-cho-viability-p1 set1 4 -4.08404891 -2.06899236 -0.25241742 1.92942203 -0.18101441 -0.16135195 2.10887007 -0.37636088 -2.36009042 1.46415868 -3.61678344 -0.14784945 -1.3910276 0.05508233 3.39480133 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 638-94-8 5311066 170464832 A Desonide OCC(=O)[C@@]54OC(C)(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_112603_1 -NCGC00274061-01 196698358 tox21-ror-cho-viability-p1 set1 4 -1.20725996 -0.32683471 -3.78205406 -0.37084344 -2.40089322 -0.1819003 -0.58939998 0.1159259 -6.24491535 2.49613937 -0.62587537 -9.10027676 -0.60276834 -1.04159212 -3.27465108 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13647-35-3 656583 170465836 A Trilostane N#CC=2C[C@]4(C)[C@H]5CC[C@]1(C)[C@@H](O)CC[C@H]1[C@@H]5CC[C@@]34O[C@@H]3C=2O Tox21_112454_1 -NCGC00018301-05 196698366 tox21-ror-cho-viability-p1 set1 -2.1 18.8336317891 -108.3337629926 0.7555870299 -107.5781759627 2.2526478767 0.9966158769 0 2.10387279 2.6069785 -1.84111133 1.64456771 1.86104665 -1.66499825 0.24692351 1.75993522 3.07730868 -0.48828032 0.50580428 -0.44016762 -19.30592362 -59.23391399 -94.36682102 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54767-75-8 5354 170466521 Ac Suloctdil CC(C)Sc1ccc(cc1)C(O)C(C)NCCCCCCCC Tox21_110858_1 -NCGC00178024-05 196698370 tox21-ror-cho-viability-p1 set1 4 -2.0139089 0.79431017 1.96240515 -1.09061121 -0.43042598 0.22270229 0.74774202 4.05922176 0.98065618 2.28840086 2.25194119 1.53004642 0.68324851 0.54324803 1.9544921 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33402-03-8 60196269 170465256 Z Metaraminol bitartrate O[C@H](c1cc(O)ccc1)[C@H](C)N.O=C(O)[C@H](O)[C@H](O)C(=O)O Tox21_110778_1 -NCGC00249110-03 196698371 tox21-ror-cho-viability-p1 set1 4 0.0023710138 4.4275947999 -3.9275947999 0.5 4.9549173134 0.4521516736 0.2275037257 -0.51202286 -7.856329 0.19712824 0.07374301 3.95530571 0.04262917 0.67877074 1.3178168 0.31425001 1.66523219 -0.57614103 0.14145331 -0.1459756 -0.33715227 1.39338678 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56038-13-2 71485 170466823 A A Sucralose O[C@H]1[C@H](O[C@H](CO)[C@H](Cl)[C@@H]1O)O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O Tox21_113658 -NCGC00259858-01 196705574 tox21-ror-cho-viability-p1 set1 4 0.01987669 5.60815609 0.13885827 4.94882758 0.31718195 -0.48079741 -0.82509163 0.25515598 4.61407148 8.73506696 2.78650037 0.09846711 -3.82771624 3.35005881 -5.42552324 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1948-33-0 16043 144209507 Z Z tert-Butylhydroquinone CC(C)(C)c1cc(O)ccc1O Tox21_202309 -NCGC00163329-03 196705154 tox21-ror-cho-viability-p1 set1 4 -0.64118804 3.95897997 3.0525648 3.50850313 5.07251199 -0.60131421 4.51322316 3.71331415 2.40348079 5.28606666 7.97906496 -0.88388207 0.12037331 -0.17684783 6.09943687 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 135046-48-9 115366 170465231 A Clopidogrel bisulfate O=S(=O)(O)O.Clc1ccccc1[C@H](N2CCc3sccc3C2)C(=O)OC Tox21_111570_1 -NCGC00018125-05 196705160 tox21-ror-cho-viability-p1 set1 4 -1.37442422 -2.61059954 0.19443048 2.33629579 -0.56485171 -1.41394844 -2.81845828 -1.9101635 0.90106376 0.4477049 0.80578637 -3.11872474 2.10937836 -7.00216078 -3.17091262 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6138-56-3 197066 170465118 A Tripelennamine citrate O=C(O)C(O)(CC(=O)O)CC(=O)O.CN(C)CCN(Cc1ccccc1)c2ccccn2 Tox21_111518_1 -NCGC00016362-05 196705161 tox21-ror-cho-viability-p1 set1 4 -1.76535867 -6.24249884 -5.1079959 -1.02049797 -0.65779859 -4.12000468 -0.19261645 0.46412504 -3.11229164 -1.44902113 1.26816136 -1.15591842 -1.3812914 -3.55349251 -2.73533264 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104-31-4 7699 170465391 A Benzonatate O=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c1ccc(NCCCC)cc1 Tox21_110398_1 -NCGC00259047-01 196705578 tox21-ror-cho-viability-p1 set1 4 4.80170459 7.35370474 5.39505896 8.24185494 -0.92502404 -1.84209846 0.83166232 0.01379661 -11.9012291 15.09301158 -5.94303823 -1.00142439 0.26150807 -0.39260754 -1.30305756 1.194E-9 2.67E-9 5.9699999999E-9 1.335E-8 2.985E-8 6.675E-8 1.4919999999E-7 3.337E-7 7.4619999999E-7 0.000001669 0.0000037309999999 0.000008343 0.00001866 0.00004172 0.00009328 91-66-7 7061 144208694 A Bc N,N-Diethylaniline CCN(CC)c1ccccc1 Tox21_201496 -NCGC00258861-01 196705585 tox21-ror-cho-viability-p1 set1 4 -9.62108944 -3.38267628 -8.42492401 -12.24232582 -1.57633387 -2.23065287 -3.24932475 -6.14754994 3.37501258 -9.2177718 -3.67957394 -5.35346893 -0.71918512 0.24009878 -2.12403542 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.000001671 0.0000037379999999 0.000008357 0.00001869 0.00004179 0.00009344 556-52-5 11164 144208507 A A Glycidol OCC1CO1 Tox21_201309 -NCGC00259775-01 196705979 tox21-ror-cho-viability-p1 set1 4 -2.99008936 -3.04071742 -0.57084281 -1.07335958 0.60423987 -1.77292532 -5.41248582 -0.9623513 -5.91925143 0 -3.5998957 -4.95652456 3.16181991 -0.49473515 2.37671077 1.211E-9 2.707E-9 6.054E-9 1.3539999999E-8 3.027E-8 6.768E-8 1.5129999999E-7 3.3839999999E-7 7.567E-7 0.0000016919999999 0.0000037839999999 0.00000846 0.00001892 0.0000423 0.00009459 120-12-7 8418 144209424 A Ac Anthracene c1ccc2cc3ccccc3cc2c1 Tox21_202226 -NCGC00258873-01 196705980 tox21-ror-cho-viability-p1 set1 4 1.5308468874 6.840935992 -7.340935992 -0.5 2.2526478767 0.5476564288 0.1382400424 -10.78424126 -8.46034642 -5.48179136 -9.13077073 -5.66562865 -3.41861141 -11.11744666 -3.43296508 -10.68673181 0 -5.05219632 1.62625161 -0.85561586 -1.747128 0.74626296 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.3529999999E-7 0.0000016439999999 0.0000036769999999 0.000008221 0.000018379999999 0.00004111 0.00009192 29385-43-1 122499 144208519 FC Tolyltriazole Cc1cccc2nnnc12 Tox21_201321 -NCGC00259394-01 196705992 tox21-ror-cho-viability-p1 set1 4 -0.07800573 0.26721941 1.71568947 7.83583143 1.60653844 -2.7416761 -1.85272169 -0.60174427 -5.09045174 11.59842195 0.07680116 6.64820355 6.36346286 1.17054968 0.26810171 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.65E-8 1.487E-7 3.325E-7 7.435E-7 0.000001663 0.000003718 0.000008313 0.00001859 0.00004156 0.000092939999999 5216-25-1 21277 144209043 A 4-Chlorobenzotrichloride ClC(Cl)(Cl)c1ccc(Cl)cc1 Tox21_201845 -NCGC00259592-01 196706395 tox21-ror-cho-viability-p1 set1 4 8.12494228 -0.14537538 5.76833249 -2.16679084 4.28578534 -1.12370083 3.49775055 1.18427954 -16.39097029 5.4493088 -2.16216209 2.70745107 3.20834892 3.21639868 2.12440258 1.1449999999E-9 2.56E-9 5.724E-9 1.28E-8 2.8619999999E-8 6.4E-8 1.431E-7 3.2E-7 7.155E-7 0.0000016 0.000003578 0.000008 0.00001789 0.000039999999999 0.00008944 27314-13-2 33775 144209241 A A Norflurazon FC(F)(F)c1cc(ccc1)N2N=CC(NC)=C(Cl)C2=O Tox21_202043 -NCGC00259065-01 196706402 tox21-ror-cho-viability-p1 set1 4 0.32403737 0.82244856 -9.39997364 -3.73097773 -0.22020575 -1.569986 -0.00125685 -2.13325657 8.6151875 -1.86004538 -3.40393357 5.04466935 0.03943272 -0.21243078 -0.8807502 1.194E-9 2.6689999999E-9 5.968E-9 1.3339999999E-8 2.9839999999E-8 6.672E-8 1.4919999999E-7 3.3359999999E-7 7.4599999999E-7 0.000001668 0.00000373 0.00000834 0.00001865 0.0000417 0.000093249999999 98-52-2 7391 144208713 A A 4-tert-Butylcyclohexanol CC(C)(C)C1CCC(O)CC1 Tox21_201515 -NCGC00259409-01 196706403 tox21-ror-cho-viability-p1 set1 4 6.45987092 -5.91676353 0.09717118 -5.70428482 -2.21106855 -2.87579676 0.76270445 -3.05050945 6.02778068 -0.5719712 1.32647968 0.26060526 0.92872394 -6.8589542 3.31060424 1.167E-9 2.609E-9 5.8339999999E-9 1.305E-8 2.917E-8 6.523E-8 1.459E-7 3.261E-7 7.2929999999E-7 0.000001631 0.000003646 0.000008154 0.00001823 0.00004077 0.000091159999999 621-64-7 12130 144209058 A A N-Nitrosodipropylamine CCCN(CCC)N=O Tox21_201860 -NCGC00259202-01 196706405 tox21-ror-cho-viability-p1 set1 4 0.32610174 -2.66526684 -8.67978315 -3.78874207 -0.64710377 -5.71198745 0.56329708 1.09678545 7.88036647 -12.01304786 0.59698597 -0.98223457 -0.23240154 -7.85181367 5.46430469 1.2049999999E-9 2.695E-9 6.0249999999E-9 1.347E-8 3.013E-8 6.737E-8 1.506E-7 3.368E-7 7.5319999999E-7 0.0000016839999999 0.000003766 0.000008421 0.000018829999999 0.0000421 0.00009415 34590-94-8 22833331 144208851 A F Dipropylene glycol monomethyl ether COCCCOC(O)CC Tox21_201653 -NCGC00167492-03 196704759 tox21-ror-cho-viability-p1 set1 -2.2 26.6032120037 -47.4914121629 0.2970860629 -47.1943261 4.5044702849 0.9647592535 0.0000012077 -1.12842893 -0.89242299 -0.24948687 1.50741896 1.51098861 3.53386762 0.30030763 -0.46914273 0.92027149 0.60856687 1.57946674 0.99877074 -6.8235589 -10.20212096 -43.49527175 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 132866-11-6 157917 170465587 A Lercanidipine hydrochloride Cl.CC=3NC(C)=C(C(C=3C(=O)OC(C)(C)CN(C)CCC(c1ccccc1)c2ccccc2)c4cccc(c4)[N+]([O-])=O)C(=O)OC Tox21_112493_1 -NCGC00160450-03 196704627 tox21-ror-cho-viability-p1 set1 4 0.29913362 -0.92607202 -2.93289038 0.55021026 1.0507936 -1.34381029 1.07715324 -1.49386374 -0.62899337 -2.5765724 -0.75768446 1.06160787 0.77704174 -0.42587869 1.66594927 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 18699-02-0 2018 170465954 A 4-Acetylaminophenylacetic acid O=C(C)Nc1ccc(cc1)CC(=O)O Tox21_111820_1 -NCGC00091499-05 196703815 tox21-ror-cho-viability-p1 set1 4 5.28382863 -1.2413755 -0.80489599 -4.25265807 -1.37864552 -2.52941207 2.15507976 -1.49628712 -2.32678502 -9.00494253 7.4061267 3.54878241 0.9228636 1.52902573 -1.59714015 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00168269-02 196704210 tox21-ror-cho-viability-p1 set1 4 -2.64650798 -2.49881348 -4.26117959 -4.34590014 -1.000042 -0.48760085 -0.06896366 -3.47072313 -2.79059249 -3.08817698 -1.09926829 -2.20361043 -0.34844059 -1.13146675 -3.7346788 1.377E-9 3.0799999999E-9 6.887E-9 1.54E-8 3.443E-8 7.699E-8 1.722E-7 3.8499999999E-7 8.608E-7 0.0000019249999999 0.000004304 0.000009624 0.000021519999999 0.000048119999999 0.00010759999999 24973-25-9 62786 144206403 A A 2,5-Dimethoxyamphetamine hydrochloride Cl.COc1ccc(cc1CC(C)N)OC Tox21_112850 -NCGC00095255-08 196704220 tox21-ror-cho-viability-p1 set1 4 -3.57998993 0.85804146 -2.4276221 -5.26365069 2.278994 -3.89244757 -0.97634475 2.51098707 -2.08610312 -3.82352651 -1.0251774 -1.31356028 -4.06890726 -2.54204815 -1.58747162 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52225-20-4 86472 170465444 F dl-alpha-Tocopheryl acetate CC(=O)Oc2c(C)c(C)c1O[C@@](C)(CCc1c2C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C Tox21_113467_1 -NCGC00091330-07 196704222 tox21-ror-cho-viability-p1 set1 4 -6.72086074 0.59441026 -0.66597457 0.13599414 0.9863732 0.96945366 1.0350102 -0.39082767 1.26656444 -0.33885387 -6.2780774 1.85448519 -4.20753998 -0.2241816 -7.2954866 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1143-38-0 2202 170466655 F Anthralin Oc2cccc1Cc3cccc(O)c3C(=O)c12 Tox21_111115_1 -NCGC00178318-04 196704628 tox21-ror-cho-viability-p1 set1 4 -1.25653983 -0.2333018 4.16317696 0.65365427 -2.3453654 -2.28073273 0.38905126 -0.14071088 -1.68347949 -8.14014308 -0.10225416 0.23001707 2.36380591 2.01008534 3.91411012 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 19767-45-4 23662354 170464862 F Sodium 2-mercaptoethanesulfonate [Na+].[O-]S(=O)(=O)CCS Tox21_112767_1 -NCGC00253770-01 196704645 tox21-ror-cho-viability-p1 set1 4 21.1316824289 -16.879439132 1.5 -15.379439132 0.4 0.7309883691 0.0260799439 0.50626286 0.67219935 3.00108621 2.08983182 0.4370865 0.40353964 -3.77142605 -0.06725416 0.56796079 -5.14372947 -3.0773531 -2.50518076 -5.76022896 -4.0652574 -11.14953261 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 75887-54-6 72416 170466068 F Artemotil CC12O[C@H]4O[C@H](OCC)[C@H](C)[C@@H]3CC[C@@H](C)[C@H](CC1)[C@@]34OO2 Tox21_113883 -NCGC00179596-03 196705044 tox21-ror-cho-viability-p1 set1 -3 29.8492948118 -56.2552311389 -0.263910237 -56.5191413759 4.9549173134 0.9789842836 6.33E-8 -1.10727572 -0.42122715 1.78981789 0.73459124 -0.10315165 -6.54477805 0.81811106 -0.10988604 0.691548 1.39375999 -0.81303896 0.57691527 -0.46363684 -7.93578518 -50.84928448 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64872-77-1 47471 170464901 A Butoconazole nitrate [O-][N+](=O)O.Clc1ccc(cc1)CCC(Sc2c(Cl)cccc2Cl)Cn3ccnc3 Tox21_110624_1 -NCGC00164589-02 196705052 tox21-ror-cho-viability-p1 set1 4 1.37478374 2.11263132 1.26288847 2.0242981 1.84977919 0.12425732 1.45862743 1.93501522 0.73793175 2.07401155 1.82458145 1.69251495 0.23655684 1.46375852 0.27542816 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 673-31-4 4770 170465902 A Phenprobamate NC(=O)OCCCc1ccccc1 Tox21_112215_1 -NCGC00166047-03 196705060 tox21-ror-cho-viability-p1 set1 4 -5.29032168 0.46391693 -1.12118307 -0.91425721 2.22418801 -0.04542374 -2.58929414 -3.84632508 -3.2874504 1.47979024 -0.27870057 -2.45620857 -4.23276657 -5.1039998 1.38574093 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13426-94-3 9855548 170466761 Z N-Methylbenzylamine hydrochloride Cl.CNCc1ccccc1 Tox21_111541_1 -NCGC00162179-08 196705456 tox21-ror-cho-viability-p1 set1 -2.1 29.8492948118 -100.3950924635 -0.2994070749 -100.6944995384 4.9549173134 0.99129877 4E-10 0.06561003 1.57038145 0.05251863 0.41673821 0.78518032 0.51369845 -0.45426036 0.02864353 2.2783054 -1.38150704 -0.36867424 -7.30282989 0.28704804 -12.41786453 -90.71576535 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53772-82-0 5281881 170465964 A cis-Flupentixol FC(F)(F)c2cc3C(=C\CCN1CCN(CCO)CC1)/c4ccccc4Sc3cc2 Tox21_112003_1 -NCGC00095105-05 196705476 tox21-ror-cho-viability-p1 set1 4 -5.28080545 -3.24418647 -1.50232751 1.14605483 -6.07427887 -0.01028041 -4.61799166 -3.21893174 -4.71134404 -5.71442965 -7.5328358 -3.4595103 1.24989363 -0.1317112 2.42206431 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 85-36-9 6806 170465154 F Acetrizoic acid O=C(C)Nc1c(I)c(c(I)cc1I)C(=O)O Tox21_111423_1 -NCGC00259865-01 196705885 tox21-ror-cho-viability-p1 set1 4 5.86388185 2.38207604 2.45994596 4.56954887 4.42472718 3.51064189 3.83623767 1.04642076 -17.96697516 5.91479708 0.88368645 0.4905121 1.15169635 2.77441496 -2.82120228 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.968E-8 6.6359999999E-8 1.484E-7 3.318E-7 7.4189999999E-7 0.000001659 0.0000037099999999 0.000008295 0.00001855 0.000041479999999 0.00009274 732-11-6 12901 144209514 C D Phosmet COP(=S)(OC)SCN2C(=O)c1ccccc1C2=O Tox21_202316 -NCGC00259028-01 196705890 tox21-ror-cho-viability-p1 set1 4 4.0258394 5.95263614 5.18417177 2.90354757 2.99902498 0.78379937 -0.45506609 0.47227541 5.19859711 -0.04268583 0.16899518 1.23420358 1.88712337 0.94417276 0.68244393 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.947E-8 6.591E-8 1.474E-7 3.295E-7 7.368E-7 0.000001648 0.000003684 0.000008238 0.00001842 0.00004119 0.00009211 389-08-2 4421 144208675 A A Nalidixic acid O=C(O)C2=CN(CC)c1nc(C)ccc1C2=O Tox21_201477 -NCGC00255559-01 196700782 tox21-ror-cho-viability-p1 set1 4 -0.94189721 0.40471965 0.32943255 2.00529515 2.15844659 6.92630793 1.22618606 7.3651461 2.68225653 13.67543526 2.42769747 2.16404362 1.74414106 3.49659469 0.17306229 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68916-76-7 144211608 Bran Tox21_301291 -NCGC00256055-01 196700783 tox21-ror-cho-viability-p1 set1 4 0.8634921799 -6.9425231239 -1 -7.9425231239 4.4494702849 0.4508503663 0.241414938 -5.83644106 1.40367344 0.42651579 -4.22518172 -2.18102735 -1.19816695 1.72479199 0.14290825 -3.00235019 -10.28264916 -3.18465888 -10.8848994 -12.86876927 -1.42356566 -2.8189333 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23235-61-2 90038 144212007 A A 2,2'-(Oxydimethanediyl)bis(2-ethylpropane-1,3-diol) OCC(COCC(CO)(CC)CO)(CC)CO Tox21_301690 -NCGC00255258-01 196700779 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -19.21498328 1.5 -17.71498328 4.9549173134 0.7981549523 0.0083588576 1.57603264 1.96360937 -0.7465861 1.18648136 -1.38162784 1.20288834 4.01841082 -1.92324824 3.74722248 -2.12624203 2.59756301 2.00523054 3.22250382 1.43348632 -14.3458194 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 129-73-7 67215 144212420 A A Leucomalachite green CN(C)c1ccc(cc1)C(c2ccccc2)c3ccc(cc3)N(C)C Tox21_302103 -NCGC00256162-01 196700780 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -12.127987252 0.5 -11.627987252 4.9549173134 0.6659614112 0.0562113879 -0.50672124 -0.31773577 1.66571729 0.54048147 1.33736164 2.34769213 0.83741739 -3.14937068 1.92261926 2.36150476 0.0993508 -3.60956523 0.6780436 -0.27046949 -9.27332271 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5877-42-9 93012 144211785 A A 4-Ethyloct-1-yn-3-ol C#CC(O)C(CCCC)CC Tox21_301468 -NCGC00255164-01 196700786 tox21-ror-cho-viability-p1 set1 4 0.0595571731 -5.663919808 -0.5 -6.163919808 1.713743691 0.4022834518 0.271256473 0.28383828 -2.65046723 -0.14491209 3.53443287 -4.33917442 -3.44541657 -1.05189059 -4.73576627 -11.38659984 -8.30735763 -9.76086655 -2.08383619 -6.98279783 -1.3302895 -4.27613423 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60-41-3 22833295 144212334 A A Strychnine hemisulphate salt O=S(=O)(O)O.O=C2C[C@@H]6OCC=C5CN3CC[C@@]47c1ccccc1N2[C@H]7[C@H]6[C@H]5C[C@H]34.O=C2C[C@@H]7OCC=C6CN4CC[C@@]53c1ccccc1N2[C@H]3[C@H]7[C@H]6C[C@H]45 Tox21_302017 -NCGC00255751-01 196700800 tox21-ror-cho-viability-p1 set1 4 -2.59809207 0.97837278 2.63840967 -2.45370175 -0.04329917 1.04344628 -0.93776564 -2.98648829 -0.54324661 -2.9301228 -5.71613288 -3.58818181 1.75286295 0.08891549 -2.1357497 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6012-97-1 22344 144211687 A Tetrachlorothiophene Clc1sc(Cl)c(Cl)c1Cl Tox21_301370 -NCGC00255302-01 196701201 tox21-ror-cho-viability-p1 set1 4 0.0030637859 10.985131608 -9.485131608 1.5 1.8851180601 0.5376305006 0.1469432015 -7.90427634 -5.52981082 0.32294112 0.57197415 -2.35719991 3.74307304 2.41451358 4.89809287 1.97187138 3.24261431 -1.88029068 -4.2305366 1.02099551 5.90767901 2.16342695 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 143-16-8 8920 144212444 A Fc Dihexylamine CCCCCCNCCCCCC Tox21_302127 -NCGC00255779-01 196701205 tox21-ror-cho-viability-p1 set1 4 4.8557733675 -23.623443448 2 -21.623443448 0.2 0.4499016061 0.2247613081 -1.79971283 -2.78975078 -3.59231455 -3.06095605 -3.2425085 -4.18875625 -4.66124805 -13.82322197 -8.24786001 -6.68276114 1.81379305 -16.30344264 -11.44134523 -16.35286954 -11.23831754 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52-85-7 5859 144212224 A A Famphur O=S(=O)(N(C)C)c1ccc(OP(=S)(OC)OC)cc1 Tox21_301907 -NCGC00255979-01 196701215 tox21-ror-cho-viability-p1 set1 4 1.45906567 -0.25082723 0 -0.62575823 1.66255155 -1.29563625 -1.81032 0.9090706 1.45633903 -0.8436811 0.89339839 -1.05383111 -1.98154728 2.23351505 -0.64377617 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6706-59-8 82170 144212071 F A L-Glucitol O[C@@H]([C@@H](O)CO)[C@@H](O)[C@H](O)CO Tox21_301754 -NCGC00258077-01 196701620 tox21-ror-cho-viability-p1 set1 4 27.973820538 -23.513553348 3.5 -20.013553348 1.92824246 0.7226409175 0.0363408116 7.93701465 1.1315069 -0.07275932 5.94291143 2.40856041 4.18793321 5.23490104 2.93593025 -2.19786486 8.48094831 2.09689302 0.02722285 -3.44058648 -13.34462779 4.03651377 1.204E-9 2.693E-9 6.0219999999E-9 1.347E-8 3.011E-8 6.733E-8 1.506E-7 3.367E-7 7.528E-7 0.000001683 0.0000037639999999 0.000008417 0.00001882 0.00004208 0.000094099999999 137-19-9 67299 144207721 A A 4,6-Dichloro-1,3-benzenediol Oc1cc(O)c(Cl)cc1Cl Tox21_200523 -NCGC00257848-01 196701624 tox21-ror-cho-viability-p1 set1 4 3.52041712 3.29116708 0.19682464 8.42136237 2.76595758 5.42838408 5.35983405 -10.09367862 0.52745591 0.92017334 -0.43704879 5.41643318 1.05348649 -2.15344055 -1.13209135 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 141-75-3 8855 144207492 D Butyryl chloride CCCC(Cl)=O Tox21_200294 -NCGC00258362-01 196702458 tox21-ror-cho-viability-p1 set1 4 -0.66582192 4.67746786 -2.39721443 5.37309367 2.96071468 -2.19779322 4.0096355 4.98820115 0.54553469 6.19044752 3.88594738 2.50118339 2.87217726 6.33443646 -2.18529105 1.166E-9 2.606E-9 5.8279999999E-9 1.303E-8 2.9139999999E-8 6.516E-8 1.457E-7 3.2579999999E-7 7.285E-7 0.000001629 0.0000036419999999 0.0000081449999999 0.00001821 0.000040719999999 0.00009106 100-42-5 7501 144208006 AC Fc Styrene C=Cc1ccccc1 Tox21_200808 -NCGC00015438-07 196698542 tox21-ror-cho-viability-p1 set1 4 0.97453448 0.37344333 5.44707462 0.9614071 0.66586153 0.78312417 3.75840631 0.43259316 7.68316528 0.08881772 4.16762994 4.30024969 0.93064632 3.60816756 0.58128663 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5053-08-7 68626 170466219 A Fenspiride hydrochloride Cl.O=C3NCC1(CCN(CC1)CCc2ccccc2)O3 Tox21_111230_1 -NCGC00090701-06 196698126 tox21-ror-cho-viability-p1 set1 4 0.92367338 0.94703472 -2.92116148 -0.14139368 -1.28694757 -4.70568736 -1.86784363 0.12665811 -6.13831524 -0.44059922 -1.40906111 -2.81371948 -3.88950566 -0.48722771 -3.70841824 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00095125-05 196698134 tox21-ror-cho-viability-p1 set1 4 -0.54841279 2.96108699 4.25207148 1.56712314 1.53139884 -0.58517291 0.86571763 1.672918 0.35612825 -0.76366967 -0.05906972 1.59771125 0.89640792 0.29431475 1.96515157 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 114798-26-4 3961 170465135 A Losartan OCc4c(Cl)nc(CCCC)n4Cc1ccc(cc1)c2ccccc2c3nnnn3 Tox21_111435_1 -NCGC00091120-13 196698138 tox21-ror-cho-viability-p1 set1 4 -0.93165859 1.39562812 -0.38065437 1.43887007 -2.45386043 0.37322447 0.59420452 1.57826665 1.47328933 0.11323349 0.26822257 -0.72851858 0.70466489 0.44124875 -6.26249932 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 126-07-8 441140 170465739 A Griseofulvin O=C2c3c(O[C@]12C(=CC(=O)C[C@H]1C)OC)c(Cl)c(OC)cc3OC Tox21_111087_1 -NCGC00090885-03 196698564 tox21-ror-cho-viability-p1 set1 4 61.130564862 -17.170580692 4 -13.170580692 3.2974983358 0.6655924557 0.0556600606 1.80609237 9.99357352 6.15921474 5.53905757 4.61704325 3.50674673 6.18581371 2.56183776 0.3443513 1.47007456 1.43853659 6.24235368 1.60865367 0.63556565 -9.72548391 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00090760-08 196698965 tox21-ror-cho-viability-p1 set1 -3 68.1713220381 -64.710437764 2.2402876474 -62.4701501166 4.9549173134 0.9806747379 3.9E-8 2.24539183 0.91099355 0.39145479 3.18433581 3.65794582 0.6837508 -2.07237003 0.63231859 4.42428664 2.26950373 0.99447318 3.59792195 4.12282497 0.01791074 -50.76996041 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00254837-01 196698971 tox21-ror-cho-viability-p1 set1 4 0.88600616 -1.21790366 -3.16029619 0.61840276 -4.46809564 -5.83955382 0.17833865 -4.29727123 3.75993544 -1.58295601 0.00470726 0.67603526 -4.89301484 -0.11393661 3.51023922 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18467-77-1 65420 144211252 Ac Ac Dikegulac O=C(O)[C@]23O[C@H]1COC(C)(C)O[C@H]1[C@@H]3OC(C)(C)O2 Tox21_300935 -NCGC00090827-04 196698978 tox21-ror-cho-viability-p1 set1 4 4.08840036 2.09349238 1.59633418 0.27353618 0.82788314 -0.07377052 2.06298723 3.48846286 3.31903881 1.5587893 4.69552239 1.32173796 1.91016507 7.76080076 3.11545452 1.188E-9 2.656E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.641E-8 1.4849999999E-7 3.321E-7 7.425E-7 0.0000016599999999 0.000003712 0.0000083009999999 0.00001856 0.000041509999999 0.00009281 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00254707-01 196699795 tox21-ror-cho-viability-p1 set1 4 -0.39752604 2.26869866 1.85901706 -7.05531709 1.22022153 0.88041459 2.84120988 4.95132501 0.9286842 3.38799739 0.84977353 0.90744737 1.9758577 2.31400014 5.01850535 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10281-55-7 10887985 144211120 FNS (S)-Citronellene C=C[C@@H](C)CC\C=C(\C)C Tox21_300803 -NCGC00254031-01 196699800 tox21-ror-cho-viability-p1 set1 4 27.3060203028 -11.549976908 0 -11.549976908 4.9549173134 0.8852160516 0.001128767 0.517941 -0.38802112 0.50078765 0.31600338 0.43424982 -0.32321948 2.03031076 -0.83369157 -0.38671604 0.52024246 1.28312803 -2.27648147 -0.80561464 -10.45831409 -2.11259586 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 331623-06-4 60196401 144210546 A A MK-547 [Na+].[Na+].[O-]C(=O)[C@@H](C)Cc1cc(OC)ccc1[C@@H]5c2nc(CCCC)ccc2[C@H](c3ccc4OCOc4c3)[C@H]5C([O-])=O Tox21_300226 -NCGC00090773-04 196699802 tox21-ror-cho-viability-p1 set1 4 0.21758774 -4.12602834 -1.80235518 -5.76547683 -4.33478063 -1.25693884 -1.13070496 -0.64516394 -2.00842651 -3.024537 -0.33924303 0.76138808 -2.73668422 -0.88231739 1.19669886 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00091650-03 196699804 tox21-ror-cho-viability-p1 set1 4 0.10383803 0 3.53389673 -0.44478278 -0.42808626 -0.73984702 -0.38173619 0.34713771 -0.65481803 -0.17718335 0.09293707 0.2569639 5.59127921 4.5083087 0.3489863 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00254078-01 196699409 tox21-ror-cho-viability-p1 set1 4 2.02850328 -2.877094 5.90447948 4.07509171 -1.92713938 3.45249173 5.71104545 -3.05653183 -0.97375973 0.93510297 -0.95096046 3.52345612 -0.13843705 3.35609911 3.75994697 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-06-2 6914 144210509 A A 2,4,6-Trichlorophenol Clc1cc(Cl)cc(Cl)c1O Tox21_300189 -NCGC00260120-01 196724501 tox21-ror-cho-viability-p1 set3 4 0.0023710138 21.6822617799 -16.6822617799 5 0.7999999999 0.5451779151 0.139408962 -12.23521815 -7.19154053 -3.31657289 -3.35925218 -0.90368359 2.29463432 1.4186824 17.8310566 -2.34731041 -0.1176071 9.27618452 6.7761031 5.93551153 -0.74445062 4.48218242 5.8989999999E-10 1.319E-9 2.95E-9 6.596E-9 1.4749999999E-8 3.298E-8 7.374E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001844 0.000004122 0.0000092179999999 0.000020609999999 0.00004609 70321-86-7 112412 144209769 Fc 2-(2H-Benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)phenol CC(C)(c1ccccc1)c2cc(c(O)c(c2)C(C)(C)c3ccccc3)n4nc5ccccc5n4 Tox21_202571 -NCGC00095129-06 196725416 tox21-ror-cho-viability-p1 set3 4 1.17478947 1.32233216 0.29272988 -1.05739456 -2.25990469 -1.28018991 1.83920916 -7.32759009 5.13994648 -1.82919032 1.32110179 -1.02530424 -0.73501906 1.85331645 1.21841942 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 181695-72-7 119607 170465163 A Valdecoxib NS(=O)(=O)c1ccc(cc1)c3c(C)onc3c2ccccc2 Tox21_111438_1 -NCGC00167528-02 196725401 tox21-ror-cho-viability-p1 set3 4 10.01037322 8.21638769 4.15478167 3.56467419 1.43010659 -2.2950641 17.28654387 -8.66505659 8.37531446 17.33209334 -6.77714857 -1.64458007 -1.30637826 0.01403466 -1.93790772 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122852-69-1 60758 170465416 A Alosetron hydrochloride Cl.Cc4ncnc4CN1CCc3c(C1=O)c2ccccc2n3C Tox21_112525_1 -NCGC00259841-01 196708785 tox21-ror-cho-viability-p1 set2 4 3.50812968 0.59574657 1.79355801 1.97874854 2.90058187 2.14074565 2.34744906 1.22354432 0.36273178 2.64713547 -1.24565609 1.99529997 2.45917372 5.80831321 1.4413628 1.1679999999E-9 2.6109999999E-9 5.8389999999E-9 1.3059999999E-8 2.92E-8 6.528E-8 1.4599999999E-7 3.264E-7 7.299E-7 0.0000016319999999 0.0000036489999999 0.00000816 0.00001825 0.000040799999999 0.000091239999999 75-62-7 6383 144209490 Bromotrichloromethane BrC(Cl)(Cl)Cl Tox21_202292 -NCGC00257507-01 196707963 tox21-ror-cho-viability-p1 set1 4 -0.04186499 0.44359645 -2.32005596 0.61289933 2.64358368 0.2439141 0.23415946 2.29986218 2.76080575 -3.85700346 -2.56960882 4.91653158 -0.17762494 -1.08595998 -4.87212786 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 54464-57-2 108242 144213792 A I 1-(2,3,8,8-Tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone CC(=O)C2(C)CC1=C(CCCC1(C)C)CC2C Tox21_303483 -NCGC00259930-01 196708375 tox21-ror-cho-viability-p1 set2 -2.2 53.2108297004 -55.5792168513 -0.455294503 -56.0345113543 2.7867712143 0.9599948763 0.0000024552 4.07225461 -0.28712406 0.54212691 3.91454559 -2.27089574 -3.42078548 1.82589558 -2.63841059 -1.01184095 -2.710659 -4.4563009 0.61457377 -3.24509489 -18.09011608 -45.48069042 1.157E-9 2.5879999999E-9 5.7869999999E-9 1.2939999999E-8 2.894E-8 6.471E-8 1.447E-7 3.235E-7 7.234E-7 0.000001618 0.000003617 0.000008088 0.000018089999999 0.00004044 0.00009043 205-99-2 9153 144209579 A A Benzo(b)fluoranthene c1cccc5c1cc4c2c5cccc2c3ccccc34 Tox21_202381 -NCGC00091210-02 196708385 tox21-ror-cho-viability-p1 set2 4 61.130564862 -22.925118852 -2.5 -25.425118852 3.1319983358 0.6255977688 0.0794634058 2.78266068 -6.8558964 -6.03912015 2.27961247 -4.13855123 -6.64549107 -2.33619783 2.65955908 -2.71897431 -6.88189365 -4.33343584 3.32545558 -0.42839639 -8.35798025 -20.35426571 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00259590-01 196708806 tox21-ror-cho-viability-p1 set2 4 69.3576091162 -19.550719796 1.5 -18.050719796 4.9549173134 0.8622742752 0.0015398881 1.71083328 2.78785981 -1.32293259 3.59236436 -0.82404797 1.23003067 2.61402639 0.97343524 -1.12592529 1.8272441 0.19730524 2.29314524 1.89478177 2.60783501 -14.62559983 1.191E-9 2.664E-9 5.9569999999E-9 1.332E-8 2.978E-8 6.66E-8 1.489E-7 3.33E-7 7.446E-7 0.000001665 0.0000037229999999 0.0000083249999999 0.00001861 0.00004162 0.000093069999999 88-18-6 6923 144209239 A A 2-tert-Butylphenol CC(C)(C)c1ccccc1O Tox21_202041 -NCGC00260000-01 196709201 tox21-ror-cho-viability-p1 set2 4 -1.85891466 -2.54538673 -2.51417159 0.18344858 -2.70919692 -2.22432348 -2.20786654 -1.0808078 -0.77146741 -2.52212153 -2.51861528 2.05189748 -0.56232818 1.48107938 0.33102711 1.166E-9 2.608E-9 5.831E-9 1.304E-8 2.9149999999E-8 6.5189999999E-8 1.458E-7 3.26E-7 7.288E-7 0.0000016299999999 0.0000036439999999 0.000008149 0.00001822 0.00004074 0.00009111 693-13-0 12734 144209649 AC Bc Diisopropylcarbodiimide CC(C)/N=C=N/C(C)C Tox21_202451 -NCGC00159417-06 196709212 tox21-ror-cho-viability-p1 set2 -2.1 44.2913331849 -101.8843557055 2.432076058 -99.4522796475 2.4063783767 0.9961507741 0 4.80818046 1.50515829 0.02077305 0.87554236 2.78696877 5.23913663 3.85082273 4.40329748 1.88225236 2.74688437 1.4466783 -0.93330639 -7.9526929 -44.88587669 -85.44010279 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00258955-01 196709640 tox21-ror-cho-viability-p1 set2 -3 67.9623322576 -121.2056557029 12.6317691412 -108.5738865617 4.9549173134 0.4734426588 0.2017734293 1.50103422 0.92656431 5.50073972 7.42019069 2.10329591 0.53192713 0.67974856 1.42514108 -3.20800405 -7.90176336 -4.0333395 81.45417451 70.27379868 16.03541858 -86.96941404 1.171E-9 2.617E-9 5.8529999999E-9 1.3089999999E-8 2.926E-8 6.543E-8 1.463E-7 3.2719999999E-7 7.316E-7 0.0000016359999999 0.000003658 0.0000081789999999 0.00001829 0.0000409 0.00009145 55-56-1 9552079 144208602 A A Chlorhexidine Clc2ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)cc2 Tox21_201404 -NCGC00255616-01 196710037 tox21-ror-cho-viability-p1 set2 4 4.35279221 -0.92846374 2.19603023 2.1713158 2.16959421 1.96817167 -0.82542027 1.26543764 -0.74265655 0.23849166 1.53191152 2.28410817 2.44532383 2.34788841 4.53344234 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14765-30-1 61771 144212091 A Ac 2-sec-Butylcyclohexanone CCC(C)C1CCCCC1=O Tox21_301774 -NCGC00256972-01 196727615 tox21-ror-cho-viability-p1 set3 4 0.12221624 3.17817407 0.46845127 0.2651909 -1.74860172 -30.7674693 -29.82341162 -28.23875919 -1.3182787 -5.26929515 -3.30838509 -1.90983319 0.3053678 2.57954713 -0.25433006 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-32-7 6966 144213435 F Ac 1H,3H-Benzo(1,2-c:4,5-c')difuran-1,3,5,7-tetrone O=C2OC(=O)c1cc3c(cc12)C(=O)OC3=O Tox21_303118 -NCGC00256348-01 196726793 tox21-ror-cho-viability-p1 set3 4 -1.39805904 -0.61189152 -1.95298715 -1.88552769 -3.51285408 -2.07749734 -3.31471194 -0.50985806 1.45650322 -2.92761068 0 -3.32219458 1.32061496 -1.64708176 3.50230738 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-72-9 798 144213254 A A Indole c1cccc2nccc12 Tox21_302937 -NCGC00256973-01 196727196 tox21-ror-cho-viability-p1 set3 4 43.2771256911 22.1732653719 -6.1732653719 16 0.7999999999 0.3575603311 0.3123239726 0.35919282 -1.01245842 -12.64257189 -10.87928893 1.12328195 -8.02413161 -22.64438781 0 0 -4.84512669 0 -3.05656153 -0.84958121 2.82521633 11.48657876 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 156-60-5 638186 144213447 Fns (E)-1,2-Dichloroethylene Cl\C=C\Cl Tox21_303130 -NCGC00091146-04 196703701 tox21-ror-cho-viability-p1 set1 4 13.6854287769 -19.650488296 1 -18.650488296 2.2526478767 0.8922219184 0.0004690998 -1.99709226 1.53544356 1.85934041 2.95036615 3.31908275 -2.30064659 2.16748178 1.50140745 -0.50744611 -3.59528382 1.75130698 -1.8010019 -15.29537252 -14.28380103 -19.29207358 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00260034-01 196703690 tox21-ror-cho-viability-p1 set1 4 3.48966962 2.36694388 1.82454523 2.78695974 0.67374418 2.89740899 1.03444751 1.0839127 2.23651485 0.58159285 0.1362783 -0.34470202 4.26098361 2.55109486 7.04454108 1.1919999999E-9 2.6659999999E-9 5.9609999999E-9 1.333E-8 2.98E-8 6.664E-8 1.49E-7 3.332E-7 7.451E-7 0.0000016659999999 0.000003726 0.0000083309999999 0.00001863 0.000041649999999 0.000093139999999 1393-63-1 144209683 ND Annatto Tox21_202485 -NCGC00357064-01 196703691 tox21-ror-cho-viability-p1 set1 4 0.35680601 -9.63526123 -11.22547482 -11.91384117 -10.12771125 1.66342437 -2.69844592 -6.63200228 -2.00263459 -11.44973731 -15.54530752 -3.72023612 0.00073793 -7.52745549 -0.56882619 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-04-6 7973 251919849 Ac 2-Bromopyridine Brc1ccccn1 Tox21_303772 -NCGC00258786-01 196703692 tox21-ror-cho-viability-p1 set1 4 7.6567671507 -13.7832517199 -1 -14.7832517199 4.4494702849 0.7268261232 0.0272441002 0.01137357 -7.76164657 1.43999997 1.37571221 1.63724332 -1.97112564 -8.20358444 0.07361856 1.69597866 -2.27178116 0.49720146 -9.40100804 -16.1316991 -9.91313522 -17.7360431 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.000018359999999 0.000041049999999 0.000091779999999 17804-35-2 28780 144208432 A A Benomyl O=C(OC)Nc2nc1ccccc1n2C(=O)NCCCC Tox21_201234 -NCGC00091080-03 196703704 tox21-ror-cho-viability-p1 set1 -2.4 10.8707224818 -27.3788454479 0.5 -26.8788454479 0.8999999999 0.9020822781 0.0002904871 -0.76507826 1.26825021 0.75948012 -1.04024163 -0.86872957 1.00735145 1.95916719 -0.49149951 -0.2679299 -9.09664349 -1.02744682 -13.46368717 -19.20039124 -16.66478735 -25.31570454 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00260398-01 196703709 tox21-ror-cho-viability-p1 set1 4 -5.5595615 -3.27870187 -3.71578905 -11.16688252 -8.36377964 -2.87104585 -7.86512181 -6.15575947 -29.63939408 -17.52154093 0.32067174 -11.44864332 -0.94745307 4.86054306 0.6368959 1.208E-9 2.702E-9 6.041E-9 1.3509999999E-8 3.02E-8 6.754E-8 1.51E-7 3.3769999999E-7 7.551E-7 0.0000016879999999 0.000003775 0.000008442 0.00001888 0.00004221 0.00009439 592-42-7 11598 144210050 Fns 1,5-Hexadiene C=CCCC=C Tox21_202852 -NCGC00357049-01 196703711 tox21-ror-cho-viability-p1 set1 4 0.647337979 3.2794124999 -0.7794124999 2.5 3.9899729863 0.3776905269 0.2975293878 0.03290691 0.10708764 -5.23284375 -0.35622723 0.05181638 2.2398879 0.12078664 -3.02867842 -1.58954124 4.17666035 2.54351122 4.69771793 0.2927584 -0.63717269 5.36912582 6.96E-10 1.556E-9 3.48E-9 7.782E-9 1.7399999999E-8 3.8909999999E-8 8.6999999999E-8 1.945E-7 4.3499999999E-7 9.727E-7 0.000002175 0.0000048639999999 0.00001088 0.000024319999999 0.00005438 4390-04-9 20414 251919900 Fc 2,2,4,4,6,8,8-Heptamethylnonane CC(C)(C)CC(C)CC(C)(C)CC(C)(C)C Tox21_303743 -NCGC00260596-01 196704113 tox21-ror-cho-viability-p1 set1 4 -3.12879231 -2.87032477 1.19339256 -6.8401355 -3.44884069 1.89870887 -10.31761905 -6.9973803 -0.64688356 0.68496566 -5.32420684 -10.1764939 1.48190888 -6.68796982 -1.90584976 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49492 144210249 M M NTP Mix35 CT1 1-EQP Tox21_203051 -NCGC00258022-01 196702068 tox21-ror-cho-viability-p1 set1 -2.4 68.7989315376 -33.710460368 2.5 -31.210460368 4.9549173134 0.9041899253 0.0002609271 3.41062863 1.40995113 4.01950543 2.13633116 1.12951898 1.24111933 8.09130492 -0.57176738 1.72435327 1.75207934 -1.40581595 0.9837016 3.45487272 2.13671324 -25.17538364 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 63721-05-1 114129 144207666 BC A Methyl 3,3-dimethylpent-4-enoate CC(C)(C=C)CC(=O)OC Tox21_200468 -NCGC00257664-01 196702058 tox21-ror-cho-viability-p1 set1 4 -17.73400165 -3.56695965 0.16807699 -5.01947647 -13.7570911 -2.54752713 -7.33844111 3.24742611 2.00609741 -0.0294563 -5.67884964 -4.17964286 -14.33619902 -8.56152349 -13.78320475 1.1759999999E-9 2.63E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.576E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.00000822 0.000018379999999 0.0000411 0.0000919 302-17-0 2707 144207308 A Chloral hydrate ClC(Cl)(Cl)C(O)O Tox21_200110 -NCGC00091088-05 196702061 tox21-ror-cho-viability-p1 set1 4 0.2433651621 4.423545108 -1.423545108 3 4.0949729863 0.5312687522 0.1536194508 0.59520975 -2.43628759 -1.70921809 -1.60858286 -0.61615022 -2.34081022 -0.51866097 1.71910159 4.12935655 4.84694045 1.48280089 -1.51988689 4.19465864 1.27283916 7.67950564 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00095042-06 196702066 tox21-ror-cho-viability-p1 set1 4 3.36779192 1.05591356 0.69351646 1.40146769 2.91268158 2.84449758 1.62701147 2.46018188 6.21512419 4.5005201 3.89214505 0.4519558 5.57417242 1.11364672 6.26390089 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00163771-03 196702072 tox21-ror-cho-viability-p1 set1 4 3.03198353 0.77297948 -0.01151574 3.08970596 1.40456602 0.1017608 3.14640538 0.31923759 0.36503586 2.74261085 1.0052446 0.16452595 0.12103915 1.02216524 7.6725116 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00257954-01 196701871 tox21-ror-cho-viability-p1 set1 4 0.0034341287 -13.2721551719 2.9214754999 -10.350679672 1.0641 0.3095179613 0.3589133357 -0.48210375 -1.39471084 -9.43149257 -3.21926691 -10.03145479 -6.66049802 -21.54223306 -9.9042295 -8.0901357 -12.55834388 -15.83656586 -6.7347372 -5.13720702 -4.08420534 -11.14196603 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008241 0.000018429999999 0.00004121 0.00009214 5989-27-5 440917 144207598 FNS D-Limonene CC1=CC[C@@H](CC1)C(C)=C Tox21_200400 -NCGC00255729-01 196701454 tox21-ror-cho-viability-p1 set1 4 2.9553071 0.61099548 -1.98000091 1.53782521 -1.45460274 -5.12551613 1.27704597 -0.42796853 -2.94275263 4.00735735 0.37575044 3.45167463 1.29420348 3.49316198 2.49290183 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-08-0 6516 144212484 F Ethenyl(triethoxy)silane CCO[Si](OCC)(OCC)C=C Tox21_302167 -NCGC00255936-01 196701456 tox21-ror-cho-viability-p1 set1 4 -1.19656027 1.10727004 -0.14958057 1.3267975 0.60590357 1.08151103 0.1003346 0.15154647 -0.7040419 4.66435355 -1.52006154 -0.98222329 -0.2251737 2.2232014 3.69500985 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1694-31-1 15538 144212374 F Bc tert-Butyl 3-oxobutanoate CC(C)(C)OC(=O)CC(C)=O Tox21_302057 -NCGC00255214-01 196701465 tox21-ror-cho-viability-p1 set1 -2.4 38.5707788719 -21.013630676 -2 -23.013630676 1.8851180601 0.765573448 0.015223673 -10.5660665 -0.67602814 0.4419779 -2.18080439 0.99097118 -1.75047926 1.25151131 0.5896054 -2.60242353 -2.76519677 -0.61888561 -6.37354326 -4.67253786 -12.68452728 -20.84469223 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-04-6 79688 144211795 A A 2-Chloro-4-phenylphenol Clc2cc(O)ccc2c1ccccc1 Tox21_301478 -NCGC00255317-01 196701065 tox21-ror-cho-viability-p1 set1 -2.4 61.130564862 -34.725712488 1.5 -33.225712488 3.9899729863 0.9085133593 0.00020641 -2.47477222 2.17619997 2.26302376 -1.49686254 4.55913525 -0.53022924 2.14498359 5.08465797 2.50579084 5.06225404 -2.24735224 0.97398154 2.22319724 -4.74274645 -27.68809374 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2871-01-4 3465817 144212733 A A HC Red 3 [O-][N+](=O)c1cc(N)ccc1NCCO Tox21_302416 -NCGC00255873-01 196700251 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -15.0849162 1 -14.0849162 4.9549173134 0.8344763784 0.0035933063 1.51932521 0.96963154 0.81641594 2.31026858 -0.51805442 0.03806408 1.48259137 1.18403301 2.30573984 3.7588079 -1.78598918 -0.56049849 2.31163657 1.09453046 -11.3207635 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23505-41-1 31957 144211764 A A Pirimiphos-ethyl CCN(CC)c1nc(C)cc(OP(=S)(OCC)OCC)n1 Tox21_301447 -NCGC00255623-01 196700658 tox21-ror-cho-viability-p1 set1 4 0.0273060203 4.5469007359 -2.0469007359 2.5 3.5117481694 0.4751938148 0.2041590719 0.65948335 -2.70496847 -4.62241728 -1.16324958 0.26084334 3.47794032 1.47901651 0.7790642 4.14132647 -0.12262943 0.94131133 2.88083377 2.36712557 0.85109838 7.82569871 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1569-02-4 15287 144212148 Fns 1-Ethoxy-2-propanol CC(O)COCC Tox21_301831 -NCGC00256051-01 196700668 tox21-ror-cho-viability-p1 set1 4 -0.0391565 -6.98093704 -1.71764501 -11.71660701 -8.36237872 -16.48741435 -5.01025735 -3.57784611 -11.71927719 -2.81935664 0.92318874 -4.68482149 -12.96367007 -5.90804441 0.95338965 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-26-7 8880 144212041 Ac A N-(2-Hydroxyethyl)acetamide CC(=O)NCCO Tox21_301724 -NCGC00258250-01 196701481 tox21-ror-cho-viability-p1 set1 4 -8.19700274 -9.2058176 -2.88146207 -4.40800161 -11.51136432 -5.32554208 -5.64642208 -15.11650376 -7.72207075 -10.39450446 -11.58514795 -4.31614047 -15.23048935 -7.10562405 -8.31471137 1.164E-9 2.6039999999E-9 5.822E-9 1.302E-8 2.911E-8 6.509E-8 1.4549999999E-7 3.254E-7 7.2769999999E-7 0.0000016269999999 0.000003639 0.000008136 0.00001819 0.00004068 0.000090959999999 506-59-2 10473 144207894 N-Methylmethanamine hydrochloride Cl.CNC Tox21_200696 -NCGC00258013-01 196701478 tox21-ror-cho-viability-p1 set1 4 1.70858653 1.7020141 1.92546102 1.55256157 0.1624165 0.43593677 0.85981736 1.85317426 0.497265 2.81053014 0.77916711 0.56501276 0.51785637 -0.45358286 0.96885225 1.164E-9 2.6039999999E-9 5.822E-9 1.302E-8 2.911E-8 6.509E-8 1.456E-7 3.255E-7 7.2779999999E-7 0.0000016269999999 0.000003639 0.000008137 0.00001819 0.00004068 0.000090969999999 3965-55-7 23675796 144207657 A A Sodium 3,5-bis(methoxycarbonyl)benzenesulfonate [Na+].O=S([O-])(=O)c1cc(cc(c1)C(=O)OC)C(=O)OC Tox21_200459 -NCGC00258632-01 196701486 tox21-ror-cho-viability-p1 set1 4 69.2178691585 -21.379407552 0.5 -20.879407552 3.6772481694 0.5809938865 0.1112735227 -3.51332966 0.55301061 -0.63948561 -1.35880534 0.09882912 9.66242314 -3.85341066 -1.15495128 5.77723938 0.00206923 4.69135813 0.56849416 -1.40840142 -2.30895751 -15.31617296 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.971E-8 6.6439999999E-8 1.486E-7 3.3219999999E-7 7.428E-7 0.0000016609999999 0.000003714 0.000008305 0.00001857 0.00004152 0.00009285 29927-08-0 34757 144208277 A A 2-Amino-5,6-dimethylbenzothiazole Cc1cc2nc(N)sc2cc1C Tox21_201079 -NCGC00258311-01 196701488 tox21-ror-cho-viability-p1 set1 4 77.0370913869 -15.572041328 2.5 -13.072041328 4.9549173134 0.5744982887 0.1167747062 1.57114328 -0.32331081 2.69335741 6.19208636 1.56305208 4.95149775 2.16090529 3.46230769 8.94010013 2.68533873 -0.94281195 -0.4911878 -0.12152047 4.29364262 -10.06003444 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.0000036909999999 0.000008252 0.000018449999999 0.000041259999999 0.00009226 60-11-7 6053 144207955 A A 4-(Dimethylamino)azobenzene CN(C)c2ccc(/N=N/c1ccccc1)cc2 Tox21_200757 -NCGC00258266-01 196701491 tox21-ror-cho-viability-p1 set1 4 0.00374462 -13.29845735 -6.30731849 -1.71014621 -9.94232746 -9.64511366 -14.23657313 -7.28741036 -11.32499986 -12.90362197 -16.36104731 -10.19384416 -2.10941412 -2.38583788 -13.27684562 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 97-39-2 7333 144207910 A A 1,3-Bis(2-methylphenyl)guanidine Cc2ccccc2NC(=N)Nc1ccccc1C Tox21_200712 -NCGC00257493-01 196727087 tox21-ror-cho-viability-p1 set3 4 25.8684805207 -16.2549339439 0.5 -15.7549339439 4.9549173134 0.6411381312 0.0818815161 -1.08504012 2.31851747 1.08771388 2.83373174 -9.53265464 0.2507455 1.60327819 -0.64281959 0.79338379 0.30244682 2.50082849 3.23790965 -1.1611609 -15.62911162 1.71311074 1.128E-9 2.523E-9 5.642E-9 1.2619999999E-8 2.821E-8 6.3079999999E-8 1.4099999999E-7 3.154E-7 7.052E-7 0.0000015769999999 0.0000035259999999 0.000007885 0.00001763 0.00003942 0.00008816 134-31-6 517000 144213843 D A 8-Hydroxyquinoline sulfate O=S(=O)(O)O.Oc1cccc2cccnc12.Oc1cccc2cccnc12 Tox21_303537 -NCGC00163735-04 196727501 tox21-ror-cho-viability-p1 set3 4 2.0496776603 -33.356733612 8 -25.356733612 0.2 0.7730139687 0.0133810717 6.84708271 3.89253863 -3.3749866 -3.22974511 -6.79811359 -1.47369603 -6.65865762 -5.35353706 -5.1655144 -7.13150491 -3.85415749 -9.67527828 -13.48985059 -17.11242509 -17.79727801 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00257084-01 196727483 tox21-ror-cho-viability-p1 set3 4 2.21741429 2.56229132 4.53794967 0.49861732 2.98746202 2.31168857 -1.8468718 -1.57058358 4.42050325 3.12386404 0.33421564 2.44798618 2.37789596 -1.38601645 4.81948061 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 3689-24-5 19395 144213452 A F Sulfotepp CCOP(=S)(OCC)OP(=S)(OCC)OCC Tox21_303135 -NCGC00091775-03 196727484 tox21-ror-cho-viability-p1 set3 -2.4 34.3762428541 -28.568377404 3 -25.568377404 1.0999999999 0.8549478525 0.001937101 2.71717296 -0.02519144 0.1462864 3.97097529 5.51736339 3.92712743 7.58565606 2.40948025 0.19106315 0.48333268 2.30751367 -1.56519437 -9.76987675 -7.26349702 -21.30698117 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00257212-01 196727505 tox21-ror-cho-viability-p1 set3 4 15.09460295 2.92322824 -0.85060951 1.48563058 0.26220552 1.56746292 -7.75715784 -1.67914398 -8.17776425 -1.85247946 -0.07838259 12.02903036 3.95234623 6.1552037 1.30093532 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-66-5 7713 144213626 A A 1,2-Diphenoxyethane C(COc1ccccc1)Oc2ccccc2 Tox21_303309 -NCGC00255148-01 196727906 tox21-ror-cho-viability-p1 set3 4 0 5.28399659 -2.49802632 -0.66646848 -1.78055039 0.02931676 -2.51293096 -2.48025185 0.69209333 -0.82847759 -0.66260748 3.61503555 -4.27386716 -3.48599095 -3.72174658 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1330-86-5 66932 144212739 Z C Diisooctyl adipate CC(C)CCCCCOC(=O)CCCCC(=O)OCCCCCC(C)C Tox21_302422 -NCGC00255223-01 196727920 tox21-ror-cho-viability-p1 set3 4 140.3697508631 -12.18324428 1 -11.18324428 4.5044702849 0.6614219073 0.0587265217 0.76284465 4.46528558 2.34903335 -0.55413537 -0.05358061 1.08102336 2.78625073 2.51726049 3.47147065 -0.49249992 2.18761749 -1.5278222 -1.42723878 0.27394465 -8.4860369 2.359E-9 5.276E-9 1.18E-8 2.638E-8 5.899E-8 1.3189999999E-7 2.949E-7 6.595E-7 0.000001475 0.000003297 0.0000073729999999 0.000016489999999 0.00003687 0.000082439999999 0.0001843 30030-25-2 170249 144211585 Bc B Chloromethyl styrene ClCc1cccc(C=C)c1 Tox21_301268 -NCGC00255699-01 196728324 tox21-ror-cho-viability-p1 set3 -1.1 6.1130564862 -107.4624328963 1.824204033 -105.6382288633 1.752947691 0.9798932886 4.89E-8 5.61489619 -0.60262095 -2.75436285 -0.34454302 2.95089512 -3.22839766 13.59905326 -4.17846114 6.89281656 -18.81099519 -21.10212793 -67.09339437 -92.35527952 -98.79413549 -108.01454894 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 555-60-2 2603 144212383 A A Carbonyl cyanide chlorophenylhydrazone Clc1cc(N\N=C(/C#N)C#N)ccc1 Tox21_302066 -NCGC00255674-01 196728731 tox21-ror-cho-viability-p1 set3 -1.2 30.6378586933 -40.1238908719 -0.178802704 -40.3026935759 4.5044702849 0.8917094132 0.0004778399 2.56200482 -4.2260582 1.83054558 -5.46417781 0.10133781 -8.15573742 1.04965809 7.0072564 6.30979832 -6.18721264 -0.81340713 5.57600345 -4.83896152 -31.41423673 -44.78077064 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13347-42-7 61594 144211545 A B 4-Chloro-2-cyclopentylphenol Clc1ccc(O)c(c1)C2CCCC2 Tox21_301228 -NCGC00256016-01 196729150 tox21-ror-cho-viability-p1 set3 4 -3.37833473 3.2664585 3.61938204 -0.14248593 2.20219324 4.0432426 4.49554336 3.63564375 3.79133837 2.25224605 4.96324735 -1.33247441 1.28006114 -4.86199902 -1.22862689 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 151-10-0 9025 144212665 A A 1,3-Dimethoxybenzene COc1cccc(OC)c1 Tox21_302348 -NCGC00255534-01 196729157 tox21-ror-cho-viability-p1 set3 4 48.5577336745 -8.512938396 0 -8.512938396 3.0654483358 0.3496713051 0.3232044101 3.43841628 -2.75741315 2.03021819 2.09956651 -0.65479579 -2.40745911 3.6184642 -4.28555133 0.0855295 2.36662932 -1.38464619 -4.81439988 1.77559701 -3.7332048 -7.09411533 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-34-7 6805 144212227 A A Chlorfenac Clc1c(CC(=O)O)c(Cl)ccc1Cl Tox21_301910 -NCGC00255511-01 196729161 tox21-ror-cho-viability-p1 set3 -2.4 54.4826732819 -26.2547295919 0 -26.2547295919 3.5117481694 0.9076638133 0.0002170437 1.22754512 -3.44924862 -0.2943547 -0.77452018 -1.32493352 -0.69738611 3.11979828 0.63680157 3.41122738 -1.14755963 0.33059926 -3.02115275 1.18513133 -7.65021522 -22.71227466 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 29091-05-2 34468 144212538 A A Dinitramine CCN(CC)c1c(cc(c(N)c1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Tox21_302221 -NCGC00257708-01 196729695 tox21-ror-cho-viability-p1 set3 4 -0.02673757 -2.90057052 0.21860825 -3.80822691 -2.40556194 -2.06754771 -3.39495894 -0.10903554 -3.14363877 -4.83884684 -2.75712653 1.28663739 -0.8805516 1.89261106 -5.39824483 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.00004119 0.000092099999999 2381-21-7 16932 144207352 A F 1-Methylpyrene Cc4ccc1ccc2cccc3ccc4c1c23 Tox21_200154 -NCGC00255285-01 196728875 tox21-ror-cho-viability-p1 set3 4 0.6113056486 4.3131895159 -2.8131895159 1.5 4.9549173134 0.322769462 0.3634956364 -4.01963161 -4.60596319 -0.28448536 -1.97822148 -0.75908287 1.80418464 -6.92765793 -6.82349812 1.41693489 6.29345353 2.35340232 0.57870591 -0.63212695 -2.63527774 -2.53528246 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 630-93-3 657302 144212655 A A Diphenylhydantoin sodium [Na+].O=C1[N-]C(=O)C(N1)(c2ccccc2)c3ccccc3 Tox21_302338 -NCGC00244580-01 196729288 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -24.42796904 -2 -26.42796904 2.4063783767 0.7484144766 0.0200948205 -4.64963107 -5.53009221 -5.67170249 0.77825009 -5.3372564 -4.53470773 -0.54704291 -1.15688334 0.67696085 1.8243844 -0.32601352 -0.63844819 -4.30306794 -7.29432515 -18.6899742 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00258249-01 196729293 tox21-ror-cho-viability-p1 set3 4 1.14574637 -1.46429618 -0.33404597 -1.02096107 -1.01304414 -2.46338092 -1.1107288 1.14764601 -0.71601475 -4.35654869 1.17686154 0 -8.89889591 -3.47239739 0.48975258 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.9479999999E-8 6.591E-8 1.474E-7 3.296E-7 7.369E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 244193-52-0 11460221 144207893 A A 1-Methyl-3-octylimidazolium tetrafluoroborate F[B-](F)(F)F.C[n+]1ccn(CCCCCCCC)c1 Tox21_200695 -NCGC00257627-01 196729718 tox21-ror-cho-viability-p1 set3 -2.4 60.6335692464 -27.915852664 0.5 -27.415852664 3.6272481694 0.9879119767 2.6E-9 1.18297098 -0.25245244 0.48458465 0.9643515 1.61279054 0.12076723 0.24932605 1.80925233 1.27505009 0.38494998 -0.32949794 0.41927309 0.86077762 -4.9087687 -22.42987722 1.172E-9 2.621E-9 5.8609999999E-9 1.311E-8 2.9299999999E-8 6.553E-8 1.465E-7 3.276E-7 7.326E-7 0.0000016379999999 0.0000036629999999 0.000008191 0.00001832 0.00004095 0.00009158 6358-07-2 3894848 144207271 A A 2-Amino-4-chloro-5-nitrophenol O=[N+]([O-])c1cc(O)c(N)cc1Cl Tox21_200073 -NCGC00258317-01 196730120 tox21-ror-cho-viability-p1 set3 4 -3.11949203 -0.64176373 -2.34805748 -3.39128612 -6.11373847 -0.44385519 0.02212886 1.11215373 -0.24161432 2.19497667 -1.95770298 0.44628245 -0.11775231 -0.51994683 -0.70099059 1.1759999999E-9 2.63E-9 5.8799999999E-9 1.315E-8 2.94E-8 6.574E-8 1.4699999999E-7 3.2869999999E-7 7.35E-7 0.000001643 0.0000036749999999 0.000008217 0.00001837 0.00004109 0.00009187 105-16-8 61012 144207961 A A 2-(Diethylamino)ethyl methacrylate O=C(OCCN(CC)CC)C(=C)C Tox21_200763 -NCGC00258730-01 196730133 tox21-ror-cho-viability-p1 set3 4 1.0710646 3.53100903 1.20879818 -0.21647195 -2.24599698 4.08039269 -0.98892741 -1.14971963 0.96703294 2.49691275 0.78962213 0.2084832 1.11735989 3.66754904 7.79289336 1.149E-9 2.569E-9 5.7449999999E-9 1.285E-8 2.872E-8 6.4229999999E-8 1.436E-7 3.211E-7 7.181E-7 0.000001606 0.0000035899999999 0.000008028 0.00001795 0.00004014 0.00008976 594-72-9 11674 144208376 AC Fns 1,1-Dichloro-1-nitroethane CC(Cl)(Cl)[N+]([O-])=O Tox21_201178 -NCGC00258698-01 196730536 tox21-ror-cho-viability-p1 set3 4 -1.95913785 -2.78863727 -1.10980954 -2.35446338 -2.1415292 -2.98483356 -0.04627711 -2.47848124 -0.84353456 1.95115812 0.19649803 1.24745352 1.71113504 2.05709543 1.08800606 1.1699999999E-9 2.617E-9 5.852E-9 1.3089999999E-8 2.926E-8 6.543E-8 1.463E-7 3.2719999999E-7 7.315E-7 0.0000016359999999 0.000003658 0.0000081789999999 0.00001829 0.000040889999999 0.000091439999999 612-60-2 11927 144208344 A A 7-Methylquinoline Cc1cc2ncccc2cc1 Tox21_201146 -NCGC00258194-01 196730540 tox21-ror-cho-viability-p1 set3 4 1.21184429 1.94629808 1.24944856 0.71240383 -4.01782641 -1.14622877 -0.57699644 -1.45443141 0 0 -20.17902488 0 -4.49295621 -2.97013242 -2.69252344 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 78-88-6 6565 144207838 AC Ac 2,3-Dichloro-1-propene C=C(Cl)CCl Tox21_200640 -NCGC00257015-01 196726455 tox21-ror-cho-viability-p1 set3 4 0.1219715124 -4.9491562239 2 -2.9491562239 3.5722481694 0.3528325282 0.3191188362 -2.64546946 0.45530237 3.96119916 4.19046262 4.21964751 1.04214543 -1.0854518 -2.41827888 -10.79096352 -1.89817297 0 0.53374424 -1.02288974 -0.88346956 -5.4410778 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 673-84-7 5368821 144213561 Z F 2,6-Dimethyl-2,4,6-octatriene C\C(C)=C\C=C\C(\C)=C\C Tox21_303244 -NCGC00263893-02 196726039 tox21-ror-cho-viability-p1 set3 4 0.0943917582 5.1080011399 -5.1080011399 0 4.9549173134 0.431674268 0.2431579021 -0.18380212 -12.59000095 -3.63929502 -4.6261758 -6.08789908 -3.57415355 -4.75010788 1.78688039 -0.31135021 -4.585187 0.65385088 -0.42720825 1.72891178 3.06027154 -1.56324066 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 585-86-4 157355 170465917 Z Lactitol OC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO Tox21_112397_1 -NCGC00256981-01 196726439 tox21-ror-cho-viability-p1 set3 4 0.0000386083 -65.32042603 -55.70791171 -32.80970274 -19.07813318 -8.99993596 -7.4698345 -0.95450482 -21.76812101 -4.69201875 0 0 -3.51822589 0.74196444 0.35198435 -1.50055462 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 2386-87-0 16949 144213629 I I UT-632 O=C(OCC1CC2OC2CC1)C3CCC4OC4C3 Tox21_303312 -NCGC00256957-01 196726443 tox21-ror-cho-viability-p1 set3 4 -4.87831145 2.20450495 -0.27395565 -11.80693666 2.74068194 -11.42030022 -5.25784165 -6.13279949 -0.16989744 -2.50200859 -0.55763205 -3.69191588 -0.93470441 1.43773396 -2.57036053 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 3622-84-2 19241 144213501 A A N-Butylbenzenesulfonamide O=S(=O)(NCCCC)c1ccccc1 Tox21_303184 -NCGC00357210-01 196704141 tox21-ror-cho-viability-p1 set1 4 2.46718556 1.91999762 3.52489937 4.61375282 3.13718159 -1.58019299 7.58665462 0.40150673 3.18264351 2.1372212 -1.05917549 -0.09019869 4.93341995 -3.50137311 -0.35708148 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13183-79-4 2723772 251919862 B 1-N-Methyl-5-thiotetrazole S=C1N=NNN1C Tox21_303990 -NCGC00260674-01 196704134 tox21-ror-cho-viability-p1 set1 4 0.0847024198 5.4239329719 -1.4239329719 4 1.55794881 0.3882692821 0.2849219015 0.31081745 -0.9238604 1.33667587 -1.46172039 2.40614395 -9.93661081 -1.44143947 -2.0453989 2.67503257 0.04982725 2.30919695 5.02045189 5.03225768 0.51844087 6.35965332 6.53E-11 1.4599999999E-10 3.265E-10 7.301E-10 1.632E-9 3.65E-9 8.162E-9 1.8249999999E-8 4.081E-8 9.1259999999E-8 2.0409999999E-7 4.563E-7 0.00000102 0.000002281 0.000005101 6289-46-9 94866 144209950 Fns Dimethyl succinylsuccinate COC(=O)C1CC(=O)C(CC1=O)C(=O)OC Tox21_202752 -NCGC00260146-01 196704136 tox21-ror-cho-viability-p1 set1 -2.4 24.2622881052 -22.1939573039 -1.5 -23.6939573039 3.1319983358 0.8066442389 0.0069062437 -4.3065316 -0.47191874 -4.33747012 3.09706344 -3.8077583 -0.88078204 -9.15541829 2.05917685 1.52151679 -1.09208244 5.04379936 -5.24781787 -7.44304908 -20.53161996 -23.49496442 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.3529999999E-7 0.0000016439999999 0.0000036769999999 0.000008221 0.000018379999999 0.00004111 0.00009192 7411-49-6 23892 144209796 A F 3,3',4,4'-Tetraaminobiphenyl tetrahydrochloride Cl.Cl.Cl.Cl.Nc1ccc(cc1N)c2ccc(N)c(N)c2 Tox21_202598 -NCGC00260477-01 196704138 tox21-ror-cho-viability-p1 set1 4 27.3060203028 -14.225840352 1 -13.225840352 4.9549173134 0.9273388158 0.0000634208 1.39674064 1.64432145 -1.18645374 -1.1515545 1.07225253 2.13413611 0.53255236 2.04566595 1.01199443 1.73217818 2.45862081 -0.30966468 1.04967256 -13.10486696 -11.90340612 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004124 0.00009223 56-05-3 65522 144210129 A A 2-Amino-4,6-dichloropyrimidine Clc1cc(Cl)nc(N)n1 Tox21_202931 -NCGC00247705-01 196704152 tox21-ror-cho-viability-p1 set1 4 -3.27311427 -0.24926352 -1.50485899 0.2144345 -0.97313666 9.93704884 -2.17411578 -2.1668164 -2.80870056 1.13377858 0.48685547 -7.25367753 -2.49800756 -0.66233191 1.05754794 1.42E-9 3.175E-9 7.0989999999E-9 1.587E-8 3.549E-8 7.9369999999E-8 1.775E-7 3.9679999999E-7 8.874E-7 0.000001984 0.000004437 0.0000099209999999 0.000022179999999 0.000049609999999 0.0001109 26194-77-4 60196330 144206411 A A (S)-(+)-N-Ethylamphetamine hydrochloride Cl.C[C@H](NCC)Cc1ccccc1 Tox21_112858 -NCGC00021147-11 196704153 tox21-ror-cho-viability-p1 set1 4 2.57804292 0.57697215 0.90851922 -0.22850609 1.36310871 0.2899632 2.17311334 1.01708399 -1.69477532 0.72172443 -2.0496347 0.05487963 1.06042429 1.92900422 5.34330024 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 562-10-7 11224 170465171 A Doxylamine succinate O=C(O)CCC(=O)O.CN(C)CCOC(C)(c1ccccn1)c2ccccc2 Tox21_113515_1 -NCGC00094721-07 196704555 tox21-ror-cho-viability-p1 set1 4 7.06755532 5.28547759 5.86947057 5.83427412 3.97908038 6.41526895 2.68702781 4.66995462 3.05484116 6.5554747 5.51588096 6.03210736 6.33539663 8.80631228 0.51098136 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60-56-0 1349907 170464856 A Methimazole S=C1NC=CN1C Tox21_110341_1 -NCGC00178043-05 196704984 tox21-ror-cho-viability-p1 set1 4 0.79074143 -2.07454342 4.53114017 0.49899939 -0.95142332 -1.25538832 -0.35854946 -3.35453574 -1.00363271 -2.88082671 0.32608203 -0.19858293 -0.88953356 4.09170191 0.9682085 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 543-15-7 10969 170466504 Z Heptaminol hydrochloride Cl.CC(C)(O)CCCC(N)C Tox21_111391_1 -NCGC00025098-02 196704985 tox21-ror-cho-viability-p1 set1 4 -2.95969511 -0.02725955 -0.09218095 1.19946944 -1.67184505 0.97869783 1.79665933 4.33256148 0.13950885 3.96647475 -0.39227935 0.27426151 0.19942479 0.89113431 -1.47716639 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_45676 45073437 170466636 A Loreclezole hydrochloride Cl.Cl\C(=C/n1cncn1)c2ccc(Cl)cc2Cl Tox21_110946_1 -NCGC00260594-01 196703740 tox21-ror-cho-viability-p1 set1 4 16.7854920005 10.56712354 -3.56712354 7 0.4 0.3856032176 0.2883537075 -5.15395071 0.31743705 -5.43899849 -1.56239564 0.90767127 -9.22260295 -4.49577325 -0.80488566 -0.01727671 -0.23762444 -0.73811975 0.81454932 0.12166525 -0.1828261 4.91296822 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49490 144210247 M M NTP Mix38 CT1 2-EQP Tox21_203049 -NCGC00260030-01 196702927 tox21-ror-cho-viability-p1 set1 4 0.45706484 -1.09921852 -7.45732652 -6.00566685 1.21414383 -6.18327585 -0.97850107 0.71880033 1.58336049 0.62286291 1.73178 1.4143561 1.25660799 1.44447824 0.09505543 1.19E-9 2.66E-9 5.949E-9 1.3299999999E-8 2.9739999999E-8 6.6509999999E-8 1.487E-7 3.325E-7 7.436E-7 0.000001663 0.000003718 0.000008314 0.00001859 0.00004157 0.00009295 75-05-8 6342 144209679 AC Acetonitrile CC#N Tox21_202481 -NCGC00260642-01 196703330 tox21-ror-cho-viability-p1 set1 4 -4.97498053 4.39726329 -6.23959454 1.97885693 0.34651464 -3.65355027 3.099608 -3.71693615 -0.65301693 -5.24794664 -0.71466727 -3.60562336 -4.54034838 0.55350243 0 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49538 144210295 M M NTP Mix83 ER AR1 18-EQC Tox21_203097 -NCGC00357105-01 196703346 tox21-ror-cho-viability-p1 set1 4 0.96893846 0.31959111 -4.62594655 -0.50896782 -1.15863203 5.52660661 9.31935227 -0.85255734 -1.62934476 -1.71289052 0.61105521 -0.25559933 -3.97960164 -2.02489168 -1.32114558 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 874-60-2 13405 251919963 p-Toluoyl chloride Cc1ccc(cc1)C(=O)Cl Tox21_303832 -NCGC00357203-01 196703743 tox21-ror-cho-viability-p1 set1 -3 21.6899429044 -32.3592632239 1 -31.3592632239 4.9549173134 0.9760690589 4.626E-7 3.82657406 -0.80305291 1.17433249 2.51384583 0.66477759 1.21114552 1.67793721 -0.42217714 -0.08634304 -0.99297277 0.31013553 0.02152391 -8.30178472 -30.29938602 -20.32765548 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 35958-30-6 118899 251919745 A Tetrabutyl ethylidenebisphenol CC(C)(C)c2cc(cc(C(C)c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)c2O)C(C)(C)C Tox21_303979 -NCGC00091086-02 196702743 tox21-ror-cho-viability-p1 set1 4 -4.7534644 -5.21162464 -2.02261329 -0.3259334 -0.35901568 -14.69988572 -10.02295542 -8.50404699 0.56180778 -10.63356595 -8.84938376 0.53630861 -5.96198867 0.4394118 -6.35067342 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00091009-05 196702740 tox21-ror-cho-viability-p1 set1 4 69.1235021648 -19.810975028 0 -19.810975028 4.9549173134 0.4097707116 0.2627486367 -3.11065646 0.98794281 0.47382227 11.01463659 0.31238306 0.76975774 -2.94604776 -1.94682663 -11.20821982 2.98539746 -1.62166275 0.34789095 0.2814019 0.38864286 -14.84247919 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00258603-01 196702742 tox21-ror-cho-viability-p1 set1 4 5.85416407 -2.63027795 -2.16387136 -3.32969552 0.25392521 1.86314625 2.9477805 3.40184585 3.43875049 1.24435116 4.58053258 0.01260443 -3.29319914 1.50679818 1.80422431 1.177E-9 2.6319999999E-9 5.886E-9 1.316E-8 2.943E-8 6.5809999999E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.000003679 0.000008226 0.00001839 0.00004113 0.000091969999999 1623-08-1 74189 144208248 A A Dibenzyl phosphate O=P(O)(OCc1ccccc1)OCc2ccccc2 Tox21_201050 -NCGC00258200-01 196702745 tox21-ror-cho-viability-p1 set1 4 0.45073596 0.87828426 -5.47136103 -5.64227539 0.51762827 -5.11918033 0.88836994 -4.6530974 -4.45124031 -2.84928352 0.85949278 0.35890568 -3.93631111 2.20716685 -8.85324788 1.2049999999E-9 2.694E-9 6.0249999999E-9 1.347E-8 3.012E-8 6.736E-8 1.506E-7 3.368E-7 7.5309999999E-7 0.0000016839999999 0.000003765 0.0000084199999999 0.000018829999999 0.0000421 0.00009413 3282-30-2 62493 144207844 D 2,2-Dimethylpropanoyl chloride CC(C)(C)C(Cl)=O Tox21_200646 -NCGC00260177-01 196703147 tox21-ror-cho-viability-p1 set1 -2.1 61.0684034629 -93.270009086 -8.4350358279 -101.7050449139 2.3331733767 0.9398850727 0.0000228271 -4.53462744 -2.80614745 -5.349252 -5.07530694 -4.80431148 -9.01877904 -14.49607022 -2.48191653 -13.77842042 -13.30149412 -13.9231687 -15.11879829 -16.39360988 -31.02496978 -77.04927645 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.947E-8 6.591E-8 1.474E-7 3.295E-7 7.368E-7 0.000001648 0.000003684 0.000008238 0.00001842 0.00004119 0.00009211 244193-59-7 46226173 144209827 A A 1-Dodecyl-3-methylimidazolium tetrafluoroborate F[B-](F)(F)F.C[n+]1ccn(CCCCCCCCCCCC)c1 Tox21_202629 -NCGC00357056-01 196703148 tox21-ror-cho-viability-p1 set1 -2.2 61.130564862 -54.408315293 -1.190138563 -55.598453856 2.2481167061 0.8346345886 0.003494214 4.78134483 -2.13557718 -0.67662191 -2.07609281 -0.58463855 3.04380526 -10.87236845 -2.32483817 -3.52315611 1.418123 1.81247183 1.20146742 -14.12842789 -11.10355287 -42.1200408 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 75980-60-8 166480 251919940 F Diphenyl(2,4,6-trimethylbenzoyl)phosphine oxide O=P(C(=O)c1c(C)cc(C)cc1C)(c2ccccc2)c3ccccc3 Tox21_303757 -NCGC00357062-01 196703153 tox21-ror-cho-viability-p1 set1 -1.1 0.6113056486 -58.8236984307 -4.6673312269 -63.4910296576 0.9999999999 0.9717618455 3.439E-7 -9.49605233 -0.87971103 -13.50936294 -4.18432278 -0.82627505 -9.07033199 -13.26083846 -31.07744448 -38.74359108 -44.41444357 -52.14710018 -58.55181643 -64.03797047 -60.58640169 -67.58428672 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122454-29-9 183559 251919761 A Tralopyril Brc1c(C#N)c(nc1C(F)(F)F)c2ccc(Cl)cc2 Tox21_303769 -NCGC00259355-01 196705665 tox21-ror-cho-viability-p1 set1 4 37.826718168 -17.795245572 1.5 -16.295245572 1.372261 0.6982670957 0.0390840134 0.51469189 8.27588281 0.15125907 0.5073117 3.91752048 1.75147948 -3.1476735 -0.28364346 4.90432446 1.83382314 -3.37075304 -0.29209835 -3.03348465 -6.96962354 -13.57937131 1.1609999999E-9 2.5969999999E-9 5.806E-9 1.298E-8 2.903E-8 6.492E-8 1.4519999999E-7 3.246E-7 7.258E-7 0.000001623 0.000003629 0.000008115 0.00001814 0.00004057 0.00009072 1212-29-9 727200 144209004 A A N,N'-Dicyclohexylthiourea S=C(NC1CCCCC1)NC2CCCCC2 Tox21_201806 -NCGC00179582-03 196705258 tox21-ror-cho-viability-p1 set1 4 2.30214519 2.17932976 3.42434469 -0.29455686 -0.19423935 0.57559756 -1.26809514 -0.14467235 -1.94893387 -0.28152761 -4.11539832 -1.92015316 0.23200836 1.87843643 3.00857869 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 37661-08-8 441398 170465170 A Bacampicillin hydrochloride Cl.N[C@H](c1ccccc1)C(=O)N[C@@H]3C(=O)N2[C@@H](C(=O)OC(C)OC(=O)OCC)C(C)(C)S[C@@H]23 Tox21_110640_1 -NCGC00016047-11 196705266 tox21-ror-cho-viability-p1 set1 4 2.40440561 0.54730456 -1.66428918 2.16691188 1.63562146 -5.15204061 -5.42371806 -1.80852775 -3.1576845 0.42192196 -4.69623812 1.01286794 -5.47860706 -5.2569871 -0.69173255 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25371-96-4 1359 170466868 A 1-[2-(Trifluoromethyl)phenyl]-1H-imidazole FC(F)(F)c1ccccc1n2ccnc2 Tox21_110289_1 -NCGC00183095-01 196705269 tox21-ror-cho-viability-p1 set1 4 -2.72992281 -0.11379928 -0.89043709 -0.04263015 0.21545184 0.25961636 -2.83335108 -1.94544276 0.53785132 -0.75867143 -0.63605498 -1.05437793 0.40752842 -0.70194038 -4.12332637 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 220620-09-7 54686904 144206463 D D Tigecycline CC(C)(C)NCC(=O)Nc1cc(N(C)C)c2C[C@H]3C[C@H]4[C@@H](C(O)=C(C(=O)[C@@]4(O)C(O)=C3C(=O)c2c1O)C(N)=O)N(C)C Tox21_112910 -NCGC00257896-01 196729994 tox21-ror-cho-viability-p1 set3 4 -1.53304666 -2.92864267 0.44782916 -3.0751238 -9.43371005 -1.74711355 -17.36226492 -0.05360065 -21.78531556 -2.82726519 -2.66458193 -15.55199609 -6.50899396 -4.6772748 -1.42002023 1.167E-9 2.61E-9 5.836E-9 1.305E-8 2.918E-8 6.525E-8 1.459E-7 3.262E-7 7.295E-7 0.000001631 0.000003648 0.000008156 0.000018239999999 0.00004078 0.00009119 616-23-9 12018 144207540 A A 2,3-Dichloro-1-propanol ClCC(Cl)CO Tox21_200342 -NCGC00258340-01 196729983 tox21-ror-cho-viability-p1 set3 4 3.01539204 -17.53248814 4.02203708 -1.82325991 3.80602058 3.6405908 -2.53191762 -2.06986734 5.5132818 2.23327228 -1.66260564 2.83124103 -0.54463796 0.57613081 -1.19837344 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004135 0.00009247 13114-72-2 25711 144207984 A A N'-Methyl-N,N-diphenylurea O=C(NC)N(c1ccccc1)c2ccccc2 Tox21_200786 -NCGC00257572-01 196729995 tox21-ror-cho-viability-p1 set3 4 -0.80634632 -1.62767384 -1.73312239 1.92772573 0 -5.53580058 -5.34951686 -11.06436096 0 -11.25554197 -5.71238489 0 -0.86690479 1.26303059 0.04886425 1.2009999999E-9 2.6849999999E-9 6.0029999999E-9 1.3419999999E-8 3.002E-8 6.712E-8 1.501E-7 3.356E-7 7.5039999999E-7 0.0000016779999999 0.0000037519999999 0.00000839 0.00001876 0.00004195 0.000093799999999 100-39-0 7498 144207216 A A alpha-Bromotoluene BrCc1ccccc1 Tox21_200018 -NCGC00258405-01 196729999 tox21-ror-cho-viability-p1 set3 4 4.03350745 -45.50261529 1.3343386 1.64907455 3.53030398 0.78532638 1.02596926 -1.87159157 1.86795333 0.28357078 2.21569123 2.92987264 2.36324961 2.51128536 7.41668292 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.953E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008253 0.000018449999999 0.00004127 0.00009227 3209-22-1 18555 144208049 A A 2,3-Dichloronitrobenzene Clc1c(cccc1Cl)[N+]([O-])=O Tox21_200851 -NCGC00257738-01 196730395 tox21-ror-cho-viability-p1 set3 4 0.03048352 1.11743232 -5.27170059 -0.28977341 1.36457877 1.37116169 -0.71113866 -1.05981492 -0.17636609 -4.36116724 -4.82164469 -0.96951033 -0.17459841 1.53616112 2.46887783 1.173E-9 2.6229999999E-9 5.865E-9 1.311E-8 2.9319999999E-8 6.557E-8 1.466E-7 3.279E-7 7.3309999999E-7 0.0000016389999999 0.0000036659999999 0.000008197 0.00001833 0.00004098 0.00009164 106-63-8 7819 144207382 FNS Isobutyl acrylate C=CC(=O)OCC(C)C Tox21_200184 -NCGC00258732-01 196730401 tox21-ror-cho-viability-p1 set3 4 2.1645835243 -7.6894256239 1 -6.6894256239 4.9549173134 0.7796078427 0.0120072232 1.26961382 0.27390244 -0.38040095 1.95494522 1.04912383 0.5512835 1.47588909 0.84744549 1.20538453 1.2718723 -8.95207671 -7.21666364 -1.20169968 -6.74333418 -9.74118802 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.3169999999E-8 2.944E-8 6.583E-8 1.472E-7 3.291E-7 7.3599999999E-7 0.0000016459999999 0.00000368 0.0000082289999999 0.000018399999999 0.000041139999999 0.000092 152-11-4 62969 144208378 A A Verapamil hydrochloride Cl.COc1cc(ccc1OC)C(C#N)(CCCN(C)CCc2ccc(OC)c(OC)c2)C(C)C Tox21_201180 -NCGC00257923-01 196730404 tox21-ror-cho-viability-p1 set3 4 30.6378586933 -15.322879296 -0.5 -15.822879296 1.6258976909 0.8423659319 0.0028546393 -1.4346768 0.28570041 -2.12633091 -1.92784974 -0.7805313 0.76585223 1.14353674 -2.72785076 0.03761389 1.16805149 -0.46472263 -1.74986823 -8.24729652 -6.61370912 -16.51906608 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-98-3 6828 144207567 A A N,N'-Diethylcarbanilide CCN(C(=O)N(CC)c1ccccc1)c2ccccc2 Tox21_200369 -NCGC00257610-01 196730413 tox21-ror-cho-viability-p1 set3 4 -11.39410837 2.4405911 -19.16694542 -6.33508793 -2.03786527 0 -1.57634872 0 -14.63738542 0 0 -9.46062329 -4.31397493 -5.7035559 4.51817345 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.3169999999E-8 2.944E-8 6.583E-8 1.472E-7 3.291E-7 7.3599999999E-7 0.0000016459999999 0.00000368 0.000008228 0.000018399999999 0.000041139999999 0.000092 632-79-1 12443 144207254 F Tetrabromophthalic anhydride O=C1OC(=O)c2c1c(Br)c(Br)c(Br)c2Br Tox21_200056 -NCGC00091468-02 196730414 tox21-ror-cho-viability-p1 set3 4 4.50689649 2.56420827 12.48449845 10.45515163 1.51727618 10.27359336 3.52128651 -0.32437366 4.1132991 3.59611407 1.07643354 0.87790917 2.92391587 1.1836673 1.87259951 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00254145-01 196714269 tox21-ror-cho-viability-p1 set2 4 1.03857951 2.65754397 1.75690054 0.08082833 2.14141148 3.94744026 4.13928051 -0.50763387 -0.87897905 0.70731527 2.24740513 5.64553899 2.36688191 2.9285494 4.14154905 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-22-9 8842 144210323 B B Citronellol C\C(C)=C\CCC(C)CCO Tox21_300003 -NCGC00255082-01 196714250 tox21-ror-cho-viability-p1 set2 4 73.0624333284 -12.778844948 1.5 -11.278844948 4.9549173134 0.6315522752 0.0770305444 0.31648274 0.2208726 1.09349067 0.18557826 0.19516077 2.2197658 0.09947774 0.52264881 0.02626424 1.83152553 1.90454025 6.8815266 3.68904864 1.38158121 -7.73237079 1.1299999999E-9 2.527E-9 5.651E-9 1.264E-8 2.8249999999E-8 6.318E-8 1.413E-7 3.159E-7 7.064E-7 0.0000015789999999 0.000003532 0.0000078969999999 0.00001766 0.00003949 0.00008829 199119-58-9 23676736 144211501 A D Trifloxysulfuron-sodium [Na+].O=S(=O)([N-]C(=O)Nc1nc(OC)cc(OC)n1)c2ncccc2OCC(F)(F)F Tox21_301184 -NCGC00254834-01 196714252 tox21-ror-cho-viability-p1 set2 4 0.1058115337 13.738708796 -8.738708796 5 0.4 0.7403926181 0.022714284 -8.11550811 -5.86451338 -11.03225733 -5.91544677 -6.75652912 -4.29336874 -8.31086596 -3.5654606 -2.86166898 2.18280335 -2.19005789 -3.95881743 2.45710192 2.78205814 2.36659166 6.488E-11 1.451E-10 3.244E-10 7.2539999999E-10 1.622E-9 3.627E-9 8.1109999999E-9 1.814E-8 4.055E-8 9.0679999999E-8 2.028E-7 4.534E-7 0.000001014 0.0000022669999999 0.000005069 110-95-2 8084 144211249 FNS N,N,N',N'-Tetramethyl-1,3-propanediamine CN(C)CCCN(C)C Tox21_300932 -NCGC00091088-05 196714260 tox21-ror-cho-viability-p1 set2 4 54.4826732819 13.8268976359 -13.3797938599 0.447103776 4.4494702849 0.6438665893 0.06840882 -12.35635891 -10.46678079 -13.31477306 -16.97458006 -7.80239118 -14.54720507 -13.66780568 -18.23316155 -13.59980017 -12.38857277 -12.43317345 -14.92083503 -14.30915574 -10.45387556 -0.87741352 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00090760-08 196728955 tox21-ror-cho-viability-p1 set3 -3 68.1713220381 -38.665879028 1 -37.665879028 4.9549173134 0.8138275058 0.0058733731 0 5.33545161 -2.00144799 7.70936991 -2.78942529 -1.33206989 -0.75567424 -1.79908364 1.23590743 7.53757244 -0.09520935 -5.11323633 -1.3691347 1.69196083 -30.55489919 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00255720-01 196728130 tox21-ror-cho-viability-p1 set3 4 15.3553036427 -9.0977994319 1.5 -7.5977994319 1.4641 0.7737237569 0.0134564249 1.60676262 5.16954779 2.22034922 1.00976318 2.90864556 0.9180476 0.08409023 -1.14106793 2.11119639 -0.4484387 3.13297018 -2.18864953 -4.2391007 -5.38340793 -7.16483286 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17109-49-8 28292 144211672 A C Edifenphos O=P(Sc1ccccc1)(Sc2ccccc2)OCC Tox21_301355 -NCGC00255505-01 196728546 tox21-ror-cho-viability-p1 set3 4 1.27646737 -4.27320237 -0.52476599 -4.66715741 2.55614955 -0.4585 -2.69977654 -0.9946337 -2.27973181 -5.23841208 2.98503464 1.33874099 -6.18122386 0.10124857 0.55889441 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2100-42-7 246724 144212407 A A 2-Chloro-1,4-dimethoxybenzene COc1ccc(cc1Cl)OC Tox21_302090 -NCGC00255115-01 196728947 tox21-ror-cho-viability-p1 set3 4 3.4376242854 -4.680300048 1.5 -3.180300048 4.9549173134 0.5508063839 0.1371890012 0 2.08759496 0.34360325 3.06571918 -1.02936501 -0.99448341 3.85001562 5.11111279 1.36157015 2.63442569 -1.21569486 -5.15025004 0.00549518 -5.03255187 -2.72129257 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 30399-84-9 21859 144212593 A Z Isooctadecanoic acid O=C(O)CCCCCCCCCCCCCCC(C)C Tox21_302276 -NCGC00255240-01 196728958 tox21-ror-cho-viability-p1 set3 4 1.38311544 3.60938923 0.75630873 0.17949652 -3.48574424 -1.21518971 0.26345327 1.77463801 3.47034776 -6.71789933 0.11102699 -8.73222176 -1.16212067 0.09871687 -7.68474861 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 115-90-2 8292 144212175 A A Fensulfothion O=S(C)c1ccc(OP(=S)(OCC)OCC)cc1 Tox21_301858 -NCGC00259088-01 196705817 tox21-ror-cho-viability-p1 set1 4 -0.71411816 -3.64056898 1.24205532 0.15753242 -1.4389301 -0.63915832 1.52405742 7.743797 1.00816778 -2.01157269 -1.39964855 0.96810205 2.47706279 -0.29272556 0.6953964 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.9719999999E-8 6.6449999999E-8 1.486E-7 3.3219999999E-7 7.429E-7 0.0000016609999999 0.0000037149999999 0.0000083059999999 0.00001857 0.00004153 0.00009287 135-76-2 23667648 144208736 A A Sodium 6-hydroxynaphthalene-2-sulfonate [Na+].[O-]S(=O)(=O)c1ccc2cc(O)ccc2c1 Tox21_201538 -NCGC00016634-04 196705396 tox21-ror-cho-viability-p1 set1 4 -0.84270471 -2.62692656 -2.06362012 -2.74950348 -2.8115801 -0.5308674 -4.88379175 0.11498995 -0.53874695 1.62189978 -0.18645575 -4.320394 -3.0460813 -3.33811644 -1.25064831 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3598-37-6 6420038 170465731 A Acetopromazine maleate O=C(O)/C=C\C(=O)O.CC(=O)c1cc2N(CCCN(C)C)c3ccccc3Sc2cc1 Tox21_110536_1 -NCGC00259907-01 196705803 tox21-ror-cho-viability-p1 set1 4 3.61581381 3.82720404 0.67179846 -8.47893454 3.66824725 0.83696358 1.14327357 -0.85440587 -8.20125 5.47563361 1.04736363 -3.10670272 3.08892746 3.60824839 -4.58298842 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.552E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.0000036629999999 0.00000819 0.00001831 0.00004095 0.000091569999999 123-09-1 31243 144209556 A Ac 4-Chlorophenyl methyl sulfide CSc1ccc(Cl)cc1 Tox21_202358 -NCGC00090721-03 196705808 tox21-ror-cho-viability-p1 set1 4 -1.9333243 -1.94279833 5.51234901 5.08314615 5.81967388 -2.57425856 -2.79515141 -0.86600011 -4.76587712 7.01121652 1.64577845 2.14188364 3.14347435 0.4292759 3.98020396 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00259170-01 196706225 tox21-ror-cho-viability-p1 set1 4 -4.2885063 -10.98345613 1.5400445 -5.43617889 4.36695698 1.35996276 3.91586328 5.57792293 4.03381928 0 -9.72921924 -5.41245002 -2.91861126 0.16682474 2.76921695 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.613E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.00001848 0.00004133 0.00009242 540-72-7 516871 144208819 Sodium thiocyanate [Na+].[S-]C#N Tox21_201621 -NCGC00259101-01 196706226 tox21-ror-cho-viability-p1 set1 4 -8.15430983 -1.62045268 -13.65766576 -9.75037442 -9.39390328 -4.01923523 -3.26564492 0.8448811 -0.26660464 0 -1.56829309 -11.95571453 -10.64949661 -13.37003859 -24.17423387 1.197E-9 2.676E-9 5.9839999999E-9 1.338E-8 2.992E-8 6.69E-8 1.496E-7 3.345E-7 7.48E-7 0.000001673 0.00000374 0.000008363 0.000018699999999 0.000041819999999 0.0000935 97-16-5 7327 144208750 A A 2,4-Dichlorophenyl benzenesulfonate Clc2cc(Cl)ccc2OS(=O)(=O)c1ccccc1 Tox21_201552 -NCGC00090885-03 196706229 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -22.703394268 2 -20.703394268 4.9549173134 0.6195599059 0.0836035957 6.06240074 4.19177389 -1.50861017 2.65635139 1.18528036 0.32785616 2.34073488 0.41919812 -2.08835335 11.4902835 1.58728263 1.29826506 -0.25986818 2.59252603 -14.33616189 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00259112-01 196706627 tox21-ror-cho-viability-p1 set1 4 -9.03028465 -4.73241801 -7.99958427 -10.15273258 -7.33363106 -3.80245621 -5.32538605 -10.07023704 -4.13034624 -6.24407967 4.808031 -4.66088106 -11.6545603 -5.76351871 -4.48990736 1.164E-9 2.603E-9 5.8199999999E-9 1.301E-8 2.91E-8 6.507E-8 1.4549999999E-7 3.254E-7 7.275E-7 0.0000016269999999 0.0000036379999999 0.000008134 0.00001819 0.00004067 0.00009094 94-11-1 7173 144208761 A F 2,4-D isopropyl ester Clc1cc(Cl)ccc1OCC(=O)OC(C)C Tox21_201563 -NCGC00259340-01 196706629 tox21-ror-cho-viability-p1 set1 4 61.5037543138 -14.2247875999 4.5 -9.7247875999 4.0949729863 0.3130478947 0.3555835652 7.86591824 2.63234186 6.35001155 8.78467791 -0.43951858 2.32523534 -0.71139424 2.15890864 12.80493811 12.90460833 -1.25499883 0.74469274 1.26147831 2.3835783 -7.687323 1.1859999999E-9 2.651E-9 5.929E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008286 0.00001853 0.000041429999999 0.00009264 53-86-1 3715 144208989 A A Indomethacin Clc1ccc(cc1)C(=O)n3c2ccc(cc2c(CC(=O)O)c3C)OC Tox21_201791 -NCGC00093976-08 196704587 tox21-ror-cho-viability-p1 set1 -2.2 26.6032120037 -75.0062837458 -1.930704337 -76.9369880828 1.713743691 0.9360079667 0.0000319112 -0.10471824 -4.67967624 -0.07139324 -0.45853345 5.26387058 -4.50972304 0.60843361 -5.6266152 0.28569376 -1.12177594 -4.6095234 -12.65027768 -14.31019645 -24.50179083 -59.04317279 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57852-57-0 636362 170464627 F Idarubicin hydrochloride Cl.CC(=O)[C@@]4(O)C[C@H](O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1)c5c(O)c3C(=O)c2ccccc2C(=O)c3c(O)c5C4 Tox21_111236_1 -NCGC00091839-03 196704581 tox21-ror-cho-viability-p1 set1 -2.4 61.130564862 -29.047421712 1 -28.047421712 4.5044702849 0.944573274 0.0000148411 0.88799252 0.20850569 0.8461661 3.92392955 0.18582992 1.96351402 1.61009389 3.70860949 0.07582407 -0.14657317 0.44866018 -2.6758288 0.46837668 -3.48705226 -24.20618476 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00015467-20 196704584 tox21-ror-cho-viability-p1 set1 4 -1.29807704 -2.4444627 1.8991885 0.67688235 -0.64754746 -2.18344546 -2.87381558 -2.79555447 -1.38064906 -1.66164821 -2.36190407 0.0467493 1.52442331 -3.12798862 -4.34993268 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10238-21-8 3488 170464964 A Glybenclamide O=C(NC1CCCCC1)NS(=O)(=O)c3ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc3 Tox21_110158_1 -NCGC00356960-01 196703977 tox21-ror-cho-viability-p1 set1 4 1.78744425 -2.80374062 1.64373654 -0.01866293 -4.1761681 -2.14124236 1.47744475 5.39532856 2.59552018 0.14513505 -2.63280591 -4.72928117 -7.10353419 0.91631555 2.16902837 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1656-48-0 15452 251919781 A 3,3'-Oxydipropionitrile N#CCCOCCC#N Tox21_303726 -NCGC00356955-01 196703582 tox21-ror-cho-viability-p1 set1 4 -1.02147108 3.53288696 -0.75236097 0.05742206 0.06748896 0.27151573 -0.0420252 -0.660268 0.7072447 0.98499761 -1.114947 -0.86260596 0.54543886 -1.10732777 -2.79697873 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23128-74-7 90004 251919785 A Antioxidant 1098 CC(C)(C)c1cc(cc(c1O)C(C)(C)C)CCC(=O)NCCCCCCNC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C Tox21_303983 -NCGC00357162-01 196703979 tox21-ror-cho-viability-p1 set1 4 0.45173916 2.68919205 1.65498652 -0.09389966 -1.47407453 -0.5205283 0.98933591 2.99728472 3.52114659 -1.23129662 -0.78831393 1.55389764 0.56841114 2.09708263 6.35060506 5.899E-12 1.319E-11 2.949E-11 6.595E-11 1.475E-10 3.2969999999E-10 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 541-85-5 7822 251919810 Fns 5-Methyl-3-heptanone CC(CC)CC(=O)CC Tox21_303912 -NCGC00260106-01 196703981 tox21-ror-cho-viability-p1 set1 4 4.28432313 4.8195353 4.31146648 3.93608447 -1.99906122 4.4935725 4.39073302 2.17900981 4.17709014 4.02334899 -0.8428455 0.56186575 0.28209935 2.27323327 0.69724109 1.185E-9 2.6499999999E-9 5.9249999999E-9 1.325E-8 2.962E-8 6.6239999999E-8 1.481E-7 3.312E-7 7.406E-7 0.000001656 0.0000037029999999 0.0000082799999999 0.00001852 0.0000414 0.00009258 142-72-3 8896 144209755 F Magnesium acetate [Mg+2].[O-]C(C)=O.[O-]C(C)=O Tox21_202557 -NCGC00160615-03 196704398 tox21-ror-cho-viability-p1 set1 4 0.90562503 -0.82361528 2.50836075 0.78814495 -0.31594735 -0.7520336 -0.74592121 0.03908107 0.86762485 1.5560986 0.09979979 -0.70605014 0.44377717 -1.22551366 3.7533779 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 126-14-7 31340 170465525 F Sucrose octaacetate CC(=O)O[C@H]1[C@H](O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)O[C@]2(COC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O Tox21_111938_1 -NCGC00253591-01 196704406 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -7.9881625 0.5 -7.4881625 4.0949729863 0.3443424599 0.3303984144 0.00767529 0.3380111 -5.10113867 0.20739433 0.50093919 4.95171103 0.940303 0.43338466 3.48821271 0.31094762 0.20683287 -0.20491415 -2.07586383 -0.23165206 -5.82346875 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 156601-79-5 3086676 170465906 D F Nepaprazole COc4ccnc1c4CCCCC1S(=O)c2nc3ccccc3n2 Tox21_113728 -NCGC00263561-01 196704409 tox21-ror-cho-viability-p1 set1 -3 33.4914596268 -78.1466726748 -1.122558339 -79.2692310138 4.9549173134 0.9781468741 7.92E-8 1.10068278 -3.19395249 0.98278639 0.55467173 -1.04552935 0.39437563 -0.03952205 0.10124287 -3.53165325 1.69117022 0.61164253 -4.00528037 -7.23151282 -6.2291655 -69.53441317 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 360-70-3 9677 170464711 F Nandrolone decanoate CCCCCCCCCC(=O)O[C@H]2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@@H]1[C@H]4CC[C@]23C Tox21_111638_1 -NCGC00015686-11 196704811 tox21-ror-cho-viability-p1 set1 4 -1.78792257 -3.15269463 0.4546021 1.67410487 -1.86687331 -0.96508645 0.5327765 1.01291625 -1.04378598 0.32500279 -2.75837118 -2.52595506 -0.41398617 1.37414431 -0.13994573 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16662-46-7 119442 170465991 A Gallopamil hydrochloride Cl.COc1c(cc(cc1OC)C(C#N)(CCCN(C)CCc2ccc(OC)c(OC)c2)C(C)C)OC Tox21_110196_1 -NCGC00259252-01 196706923 tox21-ror-cho-viability-p1 set1 4 -0.56543268 0.88595548 -2.40100741 4.60663315 3.47888285 0.53419514 1.39655431 -0.56368199 5.16181829 7.73964607 1.08816839 1.61399301 3.2014145 -0.01504278 3.61842834 1.163E-9 2.601E-9 5.8149999999E-9 1.2999999999E-8 2.908E-8 6.502E-8 1.454E-7 3.2509999999E-7 7.269E-7 0.000001625 0.000003634 0.000008127 0.00001817 0.00004063 0.00009086 86-74-8 6854 144208901 A A Carbazole c1cccc2nc3ccccc3c12 Tox21_201703 -NCGC00259869-01 196706517 tox21-ror-cho-viability-p1 set1 -2.1 54.2611240406 -106.1509665286 0.682333139 -105.4686333896 3.9294729863 0.9212475585 0.000095105 2.87086987 5.17081906 1.63089768 5.1330504 3.92877304 1.99045048 0.7951143 4.13853683 -24.64713829 0.77019218 3.44144045 3.91215903 0.50952848 -27.41083256 -93.00584955 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.4699999999E-7 3.2859999999E-7 7.3479999999E-7 0.000001643 0.000003674 0.0000082159999999 0.00001837 0.00004108 0.00009185 96-76-4 7311 144209518 A A 2,4-Di-tert-butylphenol CC(C)(C)c1cc(ccc1O)C(C)(C)C Tox21_202320 -NCGC00259669-01 196706913 tox21-ror-cho-viability-p1 set1 4 8.8637351218 -9.735034696 -1 -10.735034696 3.0654483358 0.7874076832 0.0103510605 0.99351982 0.32828138 0.86206733 2.60486423 -1.09096441 -5.34285569 -1.19631471 -4.53601435 0.90175237 -2.4159045 -0.54953483 -6.00562265 -9.73349182 -11.02919558 -10.52237263 1.206E-9 2.6959999999E-9 6.028E-9 1.348E-8 3.014E-8 6.739E-8 1.507E-7 3.37E-7 7.535E-7 0.000001685 0.0000037669999999 0.000008424 0.00001884 0.000042119999999 0.00009418 90-15-3 7005 144209318 A A 1-Naphthol Oc2cccc1ccccc12 Tox21_202120 -NCGC00259734-01 196706919 tox21-ror-cho-viability-p1 set1 4 -12.85017696 3.04143778 -12.97814012 -14.77119879 -10.31968294 -3.84962602 -11.57925512 -9.06226955 -5.85094134 -13.59544988 -6.52160591 -15.2405707 -9.10808018 -9.42666343 -8.63175876 1.1389999999E-9 2.5469999999E-9 5.694E-9 1.2729999999E-8 2.8469999999E-8 6.3659999999E-8 1.424E-7 3.183E-7 7.118E-7 0.000001592 0.000003559 0.0000079579999999 0.000017789999999 0.00003979 0.00008897 10043-35-3 7628 144209383 Boric acid OB(O)O Tox21_202185 -NCGC00259977-01 196706929 tox21-ror-cho-viability-p1 set1 4 0.95507448 5.45915915 1.38090244 0.75880417 2.65337266 0.04010561 -0.35916242 -0.06057861 1.0873707 9.22485914 1.25792022 1.29976833 0.81786475 1.75626776 0.19648873 1.172E-9 2.6199999999E-9 5.858E-9 1.31E-8 2.929E-8 6.55E-8 1.465E-7 3.275E-7 7.323E-7 0.000001637 0.0000036609999999 0.000008187 0.00001831 0.00004094 0.00009153 999-97-3 13838 144209626 FC Hexamethyldisilazane C[Si](C)(C)N[Si](C)(C)C Tox21_202428 -NCGC00091284-03 196706931 tox21-ror-cho-viability-p1 set1 4 4.42885627 8.07305846 1.43615716 15.99797332 3.83913401 7.40037146 -1.22190055 1.10138436 -1.55507535 15.64743739 1.27142822 0.36406886 1.50233702 1.27862702 -0.3007079 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00257744-01 196716334 tox21-ror-cho-viability-p1 set2 4 2.91475809 4.65298685 5.62847606 2.71072583 4.21520108 4.86989544 2.49840189 2.29152778 1.43563708 2.33753366 1.00861136 1.10078516 -0.33725374 0.29979388 -0.07995322 1.188E-9 2.657E-9 5.941E-9 1.3289999999E-8 2.971E-8 6.6429999999E-8 1.4849999999E-7 3.321E-7 7.427E-7 0.0000016609999999 0.000003713 0.000008303 0.00001857 0.00004152 0.000092829999999 89-40-7 6969 144207388 A A 4-Nitrophthalimide [O-][N+](=O)c1ccc2C(=O)NC(=O)c2c1 Tox21_200190 -NCGC00258204-01 196715934 tox21-ror-cho-viability-p1 set2 4 1.29673078 0.05476935 -6.27785898 1.60116222 -4.71054292 -3.94758762 1.20380727 -6.89709092 -2.20216076 -6.3885009 0.79497153 -8.99078921 -7.1358296 -2.91588552 -2.88245726 1.218E-9 2.7239999999E-9 6.092E-9 1.3619999999E-8 3.046E-8 6.811E-8 1.5229999999E-7 3.405E-7 7.6149999999E-7 0.000001703 0.0000038069999999 0.0000085139999999 0.000019039999999 0.00004257 0.00009518 598-78-7 11734 144207848 A B 2-Chloropropanoic acid CC(Cl)C(=O)O Tox21_200650 -NCGC00258217-01 196716327 tox21-ror-cho-viability-p1 set2 4 -0.57761851 -3.07605096 -7.09099231 -0.98926914 -3.70717336 -3.11699691 -2.40508683 -2.98820507 -3.76396146 -2.42480046 -0.56485807 -1.97394298 -3.10036983 -1.3902332 0.06561321 1.204E-9 2.692E-9 6.02E-9 1.346E-8 3.01E-8 6.73E-8 1.5049999999E-7 3.365E-7 7.5239999999E-7 0.000001683 0.0000037619999999 0.000008413 0.000018809999999 0.00004206 0.00009406 4253-34-3 77929 144207861 D Methylsilanetriyl triacetate O=C(C)O[Si](C)(OC(C)=O)OC(=O)C Tox21_200663 -NCGC00258486-01 196716330 tox21-ror-cho-viability-p1 set2 4 -0.45771755 -2.4456003 -1.78644 0.29894737 -4.935545 -3.11048691 1.52099052 0.45996821 -2.81461959 -0.19736751 -1.12123897 -1.726312 1.09522689 0.17323574 -2.72335856 1.167E-9 2.609E-9 5.835E-9 1.305E-8 2.917E-8 6.523E-8 1.459E-7 3.262E-7 7.2929999999E-7 0.000001631 0.0000036469999999 0.000008154 0.00001823 0.00004077 0.00009117 95-55-6 5801 144208130 A Fns 2-Aminophenol Nc1ccccc1O Tox21_200932 -NCGC00253682-01 196716742 tox21-ror-cho-viability-p1 set2 4 3.90503442 1.73243059 0.86853309 0.60491821 -1.33435356 -1.31880371 2.12084828 -0.88737909 0.58937167 -1.33444242 0.88650022 -0.57988575 0.91617438 -1.0303265 3.8917403 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2107-69-9 75018 170466772 Ac A 5,6-Dimethoxy-1-indanone COc1cc2C(=O)CCc2cc1OC Tox21_113806 -NCGC00164569-02 196716743 tox21-ror-cho-viability-p1 set2 4 -0.84690535 3.08241173 1.16406986 2.41863268 4.47180267 -0.07562979 0.74087954 1.64560723 2.37415201 2.77363308 -1.22711627 -0.79310427 -0.08805318 1.73472539 1.9134507 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 154361-50-9 60953 170464779 A Capecitabine O=C(OCCCCC)NC1=NC(=O)N(C=C1F)[C@@H]2O[C@H](C)[C@@H](O)[C@H]2O Tox21_112198_1 -NCGC00095762-04 196716750 tox21-ror-cho-viability-p1 set2 4 3.20720054 -1.28820804 0.64826198 3.56142997 2.49426804 1.77894419 5.49220039 3.82013852 2.73947237 -3.09370745 0.18599882 2.30370464 1.41014822 2.10077711 2.00264371 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60-27-5 588 170466777 Z Creatinine N=C1NC(=O)CN1C Tox21_111516_1 -NCGC00258651-01 196729794 tox21-ror-cho-viability-p1 set3 4 -0.54546605 -2.82753073 -0.15801615 -16.44622974 -2.55751451 -3.41965423 -3.90458076 -3.37942024 -15.92276663 -1.80393712 -4.09114009 -16.34730683 -7.82389621 -6.09870597 -4.57721351 1.3159999999E-9 2.942E-9 6.5779999999E-9 1.471E-8 3.289E-8 7.355E-8 1.645E-7 3.677E-7 8.2229999999E-7 0.0000018389999999 0.000004112 0.000009194 0.000020559999999 0.000045969999999 0.00010279999999 25155-23-1 33133 144208297 A C TXP Cc1cc(cc(C)c1)OP(=O)(Oc2cc(C)cc(C)c2)Oc3cc(C)cc(C)c3 Tox21_201099 -NCGC00258197-01 196729777 tox21-ror-cho-viability-p1 set3 4 15.730835312 12.7020013359 -1.2020013359 11.5 2.4063783767 0.8785672353 0.0014286729 -3.50166778 -2.1093881 -1.64735856 0.0104721 -1.50665481 -0.50494781 -2.30875676 0.31636114 -2.73586529 0.38370391 1.22673186 0.03157029 7.21425429 9.92639818 1.10598862 1.204E-9 2.692E-9 6.02E-9 1.346E-8 3.01E-8 6.73E-8 1.5049999999E-7 3.365E-7 7.5239999999E-7 0.000001683 0.0000037619999999 0.000008413 0.000018809999999 0.00004206 0.00009406 124-63-0 31297 144207841 Methanesulfonyl chloride CS(Cl)(=O)=O Tox21_200643 -NCGC00258254-01 196729778 tox21-ror-cho-viability-p1 set3 4 -2.01914783 1.40061649 -2.90746714 -1.09185134 0.47824117 -0.91005449 -0.25956938 -1.70610957 -0.2401289 -0.7998914 -3.28162409 -2.96879704 -5.39493171 -5.07047675 -3.02644083 1.188E-9 2.657E-9 5.942E-9 1.3289999999E-8 2.971E-8 6.6439999999E-8 1.486E-7 3.3219999999E-7 7.428E-7 0.0000016609999999 0.000003714 0.000008305 0.00001857 0.00004152 0.00009285 604-75-1 4616 144207898 A A Oxazepam Clc1ccc2NC(=O)C(O)N=C(c2c1)c3ccccc3 Tox21_200700 -NCGC00091146-04 196729786 tox21-ror-cho-viability-p1 set3 4 12.1971512362 -13.8518065199 1 -12.8518065199 1.826479391 0.8491088686 0.002339406 -0.6587416 0.51327191 1.11586991 -0.40969445 1.09190629 0.90704089 1.24263207 -0.2602589 2.0195635 0.69154568 -0.943575 0.25404174 -12.7931721 -9.68175748 -10.39753449 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00091830-04 196730189 tox21-ror-cho-viability-p1 set3 4 2.49302774 2.0179354 3.47458813 1.69443295 -1.21605451 2.77591162 -0.43700002 1.39992389 -1.86265877 0.7374085 4.06050179 0.36823212 0.70866325 -3.79767775 -0.14519973 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00258355-01 196730193 tox21-ror-cho-viability-p1 set3 4 0.0646282156 5.783497364 -4.783497364 1 0.8999999999 0.4611758873 0.2161820349 -4.32233033 -5.65291447 -3.54976547 -4.18164897 -0.20549694 -2.84140777 -1.91643334 -1.35974413 -0.56920336 8.11726376 -0.11267252 -0.1451876 -2.73798161 1.56389379 2.50671148 1.2359999999E-9 2.764E-9 6.1809999999E-9 1.382E-8 3.09E-8 6.9099999999E-8 1.545E-7 3.4549999999E-7 7.7259999999E-7 0.0000017279999999 0.000003863 0.000008638 0.000019309999999 0.00004319 0.000096569999999 106-95-6 7841 144207999 D Allyl bromide BrCC=C Tox21_200801 -NCGC00258180-01 196730196 tox21-ror-cho-viability-p1 set3 4 15.3865400603 18.168844676 -1.168844676 17 3.9899729863 0.9809592688 3.6E-8 -0.64176844 -0.77183999 -2.22403723 0.12708154 -1.90411422 -1.0113277 0.97288037 -0.8826461 -0.18269697 -1.78644842 -1.4565279 -0.7038361 11.36625869 17.47000519 16.22993346 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.303E-7 7.387E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 4186-68-9 12059921 144207824 F 1-Ethyl-1-methylpyrrolidinium iodide [I-].C[N+]1(CC)CCCC1 Tox21_200626 -NCGC00256900-01 196707880 tox21-ror-cho-viability-p1 set1 4 3.95572401 -0.6274047 3.22374113 0.2876353 0.25676472 2.53863609 4.17225075 -0.04963275 -0.00394533 1.9203654 -1.51181063 2.72582587 -0.23237468 -0.81405118 3.60159575 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-41-8 61031 144212937 F F 2-Methylundecanal CC(CCCCCCCCC)C=O Tox21_302620 -NCGC00256916-01 196707067 tox21-ror-cho-viability-p1 set1 4 -2.11453465 -1.9111791 0.62712043 -3.52820771 -0.66538751 0.0853543 6.4348561 -1.97812213 5.62088532 -0.59162252 2.2674806 1.64418077 0.6538429 6.26710884 3.3741538 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2219-82-1 16678 144212879 A A 2-tert-Butyl-6-methylphenol CC(C)(C)c1cccc(C)c1O Tox21_302562 -NCGC00256603-01 196707461 tox21-ror-cho-viability-p1 set1 4 3.80030992 5.57797051 4.21368786 3.06242333 -1.54390384 0.04168494 -0.24973715 0.27973 0.97565978 -6.91580214 -2.85748433 5.01142449 1.28565508 5.28194787 9.45213329 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 79-24-3 6587 144213140 FNS Nitroethane [O-][N+](=O)CC Tox21_302823 -NCGC00256609-01 196707878 tox21-ror-cho-viability-p1 set1 4 -1.48285029 -0.97338203 0.89522264 -1.27058892 0.70237676 0.56493638 -0.40704227 -1.20410732 -0.68729537 0.24330044 0.49754163 -0.67987766 2.21066316 2.05821847 5.09174974 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 280-57-9 9237 144213225 Fns 1,4-Diazabicyclo[2.2.2]octane C1CN2CCN1CC2 Tox21_302908 -NCGC00016523-05 196705429 tox21-ror-cho-viability-p1 set1 4 -1.02587254 0.76175599 -0.09099072 0.12953445 1.16583582 -0.90477826 -0.61256243 1.30469891 0.30397847 -0.06316723 1.01799132 2.99064932 -0.35434727 0.43979055 1.44504657 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 606-17-7 3739 170464888 F Iodipamide O=C(Nc1c(I)c(c(I)cc1I)C(=O)O)CCCCC(=O)Nc2c(I)c(C(=O)O)c(I)cc2I Tox21_113504_1 -NCGC00025177-08 196705409 tox21-ror-cho-viability-p1 set1 4 -6.06128095 -3.29412868 -3.27297146 -3.32026931 0.15202524 0.14388925 0.08484448 3.27327622 -0.7363684 -2.04033378 -0.50043914 1.94691753 0.06529328 0.16757663 1.51230548 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 145-63-1 5361 170466101 F Suramin O=S(=O)(O)c1cc(cc2c1c(ccc2S(=O)(=O)O)NC(=O)c8cc(NC(=O)c3cc(ccc3)NC(=O)Nc4cccc(c4)C(=O)Nc5cc(ccc5C)C(=O)Nc7ccc(c6cc(cc(c67)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)c(C)cc8)S(=O)(=O)O Tox21_112045_1 -NCGC00015455-10 196705416 tox21-ror-cho-viability-p1 set1 -2.4 33.4914596268 -24.5969948919 -0.5 -25.0969948919 4.9549173134 0.8632151862 0.0014812977 0.68430416 -3.008799 1.72767886 0.724275 1.40314241 -2.74550962 0.23159534 0.57875589 -3.0958714 0.09186351 0.12752306 0.18723545 -5.80019942 -2.08024787 -20.91416241 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72509-76-3 3333 170464849 A Felodipine CC=1NC(C)=C(C(C=1C(=O)OCC)c2cccc(Cl)c2Cl)C(=O)OC Tox21_110155_1 -NCGC00015655-09 196705428 tox21-ror-cho-viability-p1 set1 4 -3.57418873 -3.63811998 -2.81265848 -2.96296554 -1.19321002 0.37524133 -3.18590758 -0.92204595 -0.91973523 0.72362285 1.92576156 0.75065498 -1.86923786 -0.57690176 -1.97252436 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5874-97-5 441333 170466142 Z Orciprenaline sulfate Oc1cc(cc(O)c1)C(O)CNC(C)C.O=S(=O)(O)O.CC(C)NCC(O)c1cc(O)cc(O)c1 Tox21_110551_1 -NCGC00258799-01 196705829 tox21-ror-cho-viability-p1 set1 4 1.98752366 -1.59947312 -0.15370429 -2.54985411 -1.12643654 0.03006126 0.93097876 -3.01834763 0.83335794 0 -0.51213389 -1.40523342 -2.14292601 -0.03123498 0.25440981 1.193E-9 2.6679999999E-9 5.9649999999E-9 1.3339999999E-8 2.982E-8 6.669E-8 1.491E-7 3.335E-7 7.456E-7 0.0000016669999999 0.000003728 0.000008336 0.00001864 0.00004168 0.0000932 111-70-6 8129 144208445 A A 1-Heptanol CCCCCCCO Tox21_201247 -NCGC00259812-01 196705837 tox21-ror-cho-viability-p1 set1 -2.2 61.3171122755 -62.0263976016 -3.893532254 -65.9199298556 3.1319983358 0.9077599418 0.0002143884 -8.71883774 -0.35204386 -13.62215097 0.96567871 0.6116679 -0.7938646 -3.47048878 -1.90927694 -5.05619691 0 -7.38357282 -6.77458687 -7.36450956 -16.04031887 -52.96964383 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004133 0.000092409999999 136-77-6 3610 144209461 A A 4-Hexylresorcinol Oc1cc(O)ccc1CCCCCC Tox21_202263 -NCGC00259688-01 196705840 tox21-ror-cho-viability-p1 set1 -1.2 19.4098439102 -34.3031696125 -0.5 -34.8031696125 2.2481167061 0.9534619918 0.0000056783 -2.19870288 1.25296598 0.06001299 -2.01957615 -3.88071376 -3.81957995 -1.7812792 3.63107691 4.90246863 -0.75575668 1.41930393 -5.68262574 -16.57077874 -29.70466952 -33.59927159 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.397E-7 0.0000016539999999 0.0000036989999999 0.0000082699999999 0.000018489999999 0.00004135 0.00009247 6459-94-5 5479172 144209337 Z Z C.I. Acid Red 114 [Na+].[Na+].[O-]S(=O)(=O)c5cc(cc6ccc(O)c(/N=N/c1ccc(cc1C)c4ccc(/N=N/c3ccc(OS(=O)(=O)c2ccc(C)cc2)cc3)c(C)c4)c56)S([O-])(=O)=O Tox21_202139 -NCGC00258979-01 196706236 tox21-ror-cho-viability-p1 set1 4 0.1068305976 -5.2334083 3 -2.2334083 1.21 0.3292208408 0.3415254546 0.31693619 7.75662148 -0.14044544 5.04314679 -0.47147075 2.55004872 -0.90586364 2.33107528 -8.52784025 -0.6919901 0.56680581 1.27523431 -4.90584401 -0.71009634 -5.34882721 1.163E-9 2.601E-9 5.816E-9 1.301E-8 2.908E-8 6.503E-8 1.454E-7 3.2509999999E-7 7.27E-7 0.0000016259999999 0.0000036349999999 0.0000081279999999 0.00001818 0.00004064 0.00009088 446-72-0 5280961 144208626 A A Genistein Oc1ccc(cc1)C3=COc2cc(O)cc(O)c2C3=O Tox21_201428 -NCGC00259892-01 196706247 tox21-ror-cho-viability-p1 set1 4 3.39449603 1.59132947 1.9889615 1.75142233 6.91249214 0.38198862 -2.79101486 -0.56875134 0.10564976 1.65342032 -0.11771477 -0.66241184 1.97872 3.83249303 -2.67205824 1.211E-9 2.707E-9 6.054E-9 1.3539999999E-8 3.027E-8 6.7689999999E-8 1.514E-7 3.3839999999E-7 7.568E-7 0.0000016919999999 0.0000037839999999 0.0000084609999999 0.00001892 0.0000423 0.00009459 298-04-4 3118 144209541 A A Disulfoton CCSCCSP(=S)(OCC)OCC Tox21_202343 -NCGC00258870-01 196708584 tox21-ror-cho-viability-p1 set2 4 -0.9089479 0.06699376 -3.64781523 0.52973992 -0.20246093 -0.82221445 -0.5338702 4.06401441 -1.13373088 1.00780556 -0.73226949 0.09796415 4.19620864 3.59827935 3.90570653 1.195E-9 2.672E-9 5.976E-9 1.336E-8 2.988E-8 6.6809999999E-8 1.494E-7 3.341E-7 7.47E-7 0.0000016699999999 0.000003735 0.000008352 0.00001867 0.000041759999999 0.00009337 99-62-7 7450 144208516 AC Fns 1,3-Diisopropylbenzene CC(C)c1cccc(c1)C(C)C Tox21_201318 -NCGC00259158-01 196708594 tox21-ror-cho-viability-p1 set2 4 -1.09776799 0.03468612 -5.83218225 -0.32889079 -0.89343709 -1.83549435 -0.59935368 -1.2961891 1.29153554 0.35639801 -2.2812854 -0.83199981 -3.1671033 -2.10668676 -0.30245248 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 50892-23-4 5694 144208807 A A Pirinixic acid Cc2cccc(Nc1cc(Cl)nc(SCC(=O)O)n1)c2C Tox21_201609 -NCGC00259558-01 196709001 tox21-ror-cho-viability-p1 set2 -1.1 12.1227658336 -104.4095651352 1.182452292 -103.2271128432 1.826479391 0.9969298957 0 0.38611915 1.88061255 2.27755337 1.45352888 2.59481704 1.80011359 0.68203001 -0.88549117 1.8266763 -0.86685782 -8.51619238 -36.62358435 -70.25737747 -95.58066004 -95.4192503 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.00009175 81741-28-8 9889168 144209207 A A Tributyltetradecylphosphonium chloride [Cl-].CCCC[P+](CCCC)(CCCC)CCCCCCCCCCCCCC Tox21_202009 -NCGC00259875-01 196709010 tox21-ror-cho-viability-p1 set2 4 70.1970324498 -15.31177892 1.5 -13.81177892 4.9549173134 0.770834911 0.0141077888 3.55833189 1.61489121 2.58585888 -0.62006633 0.46186647 1.06936183 -0.18846319 1.92013462 0.01489773 -1.48162335 1.35244433 4.54909619 3.76109419 2.23526492 -11.0931491 1.203E-9 2.6889999999E-9 6.013E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003758 0.000008404 0.000018789999999 0.00004202 0.000093959999999 98-54-4 7393 144209524 A F 4-tert-Butylphenol CC(C)(C)c1ccc(O)cc1 Tox21_202326 -NCGC00259459-01 196709409 tox21-ror-cho-viability-p1 set2 -1.1 8.6173622229 -84.1277779006 -2.57643942 -86.7042173206 1.4163171 0.9897665823 9E-10 0.84091114 2.23431971 -0.39452678 -5.14236546 -2.85192053 -6.8780622 -1.54383371 -4.93997688 -7.02347873 -13.20685244 -18.87230577 -42.71108407 -65.09220228 -83.53007449 -80.16247791 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.586E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009204 137-30-4 8722 144209108 FNS Ziram [Zn+2].S=C([S-])N(C)C.CN(C)C([S-])=S Tox21_201910 -NCGC00259765-01 196709423 tox21-ror-cho-viability-p1 set2 4 68.4501412252 -21.94704014 0 -21.94704014 2.9522712143 0.8616299727 0.0015742189 -0.52326378 0.13319982 -2.76986742 -0.45762734 4.86243636 -0.62567215 -0.674163 0.39289883 0.00571787 -0.2211214 1.5588376 -0.25278951 -1.60167922 -3.91207083 -15.37253345 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.945E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.000003681 0.00000823 0.000018399999999 0.00004115 0.000092019999999 98730-04-2 62306 144209414 A A Benoxacor ClC(Cl)C(=O)N1c2ccccc2OCC1C Tox21_202216 -NCGC00259529-01 196709430 tox21-ror-cho-viability-p1 set2 4 0.39515968 0.12406293 2.48293848 0.59901047 0.00923723 0.8422563 -0.26674644 -0.00387164 1.0935363 0.05410839 3.15114791 0.58302746 -3.83017043 1.62833348 2.23781685 1.1699999999E-9 2.6159999999E-9 5.849E-9 1.3079999999E-8 2.9239999999E-8 6.539E-8 1.462E-7 3.27E-7 7.311E-7 0.000001635 0.0000036549999999 0.0000081739999999 0.00001828 0.000040869999999 0.000091389999999 134-62-3 4284 144209178 A A DEET Cc1cccc(c1)C(=O)N(CC)CC Tox21_201980 -NCGC00091210-02 196709834 tox21-ror-cho-viability-p1 set2 4 0.0015355304 19.18599522 -21.18599522 -2 1.0999999999 0.4582173508 0.2343167655 -15.98832935 -2.12920868 -13.09971838 -1.61389842 0.83674037 -3.23875181 1.11988748 -6.05005659 -0.18880204 -3.35921459 -0.69977014 -2.95700069 -2.51785417 -5.40159414 -9.80921916 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00256207-01 196709842 tox21-ror-cho-viability-p1 set2 1.1 27.3060203028 90.2462029805 1.171515659 91.4177186395 4.9549173134 0.9980108597 0 4.9222665 -0.51161921 1.75828041 0.7771373 2.32018475 1.28281737 0.54150638 0.89803442 2.16036345 -0.58405094 0.59946156 1.96602876 12.76014375 81.67238078 90.69218119 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19750-95-9 12336279 144211729 A C Chlordimeform hydrochloride Cl.Clc1cc(C)c(/N=C/N(C)C)cc1 Tox21_301412 -NCGC00255436-01 196709844 tox21-ror-cho-viability-p1 set2 4 -3.66346169 0.52281385 0.66317238 -0.44457319 2.06791208 -0.05021314 0.99434022 -1.17085736 -1.09374423 -0.53623995 -1.44178721 0.44374423 -1.28561383 -1.72142533 1.12816816 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 145-13-1 8955 144212458 A A Pregnenolone CC(=O)[C@H]4CC[C@@H]3[C@]4(C)CC[C@H]2[C@H]3CC=C1C[C@@H](O)CC[C@@]12C Tox21_302141 -NCGC00256294-01 196710243 tox21-ror-cho-viability-p1 set2 -2.4 24.3365162115 -30.220674692 0.5 -29.720674692 1.221561 0.9872576285 3.5E-9 1.01702938 2.12765018 1.4978588 0.76579459 -0.27544568 0.55340304 -0.67514417 0.96867447 -1.91151151 -0.96158241 -1.95431695 -4.90551855 -12.58831325 -18.81405806 -24.76722891 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3734-67-6 6507024 144211842 Ac C.I. Acid Red 1 [Na+].[Na+].[O-]S(=O)(=O)c3cc2cc(c(\N=N/c1ccccc1)c(O)c2c(c3)NC(C)=O)S([O-])(=O)=O Tox21_301525 -NCGC00259979-01 196706946 tox21-ror-cho-viability-p1 set1 4 1.07143455 3.49311511 0.44649012 5.01015262 6.9898347 0.45659678 2.32694744 0.00945687 5.06557348 12.42001384 -2.55306497 0.25838898 0.29187469 -1.71323795 0.03281067 1.177E-9 2.6319999999E-9 5.886E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.000003679 0.000008225 0.00001839 0.00004113 0.00009196 110-64-5 175854 144209628 D 2-Butene-1,4-diol OC\C=C\CO Tox21_202430 -NCGC00256539-01 196718418 tox21-ror-cho-viability-p1 set2 4 -1.04009125 -0.45222348 -1.29325322 -6.49819273 1.75481941 -6.49559035 -6.6289384 -9.45854778 0.7574602 -2.0876734 -4.78932804 2.2250369 -3.38387431 -1.11968913 -1.71859349 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-22-6 5753 144213947 A A Corticosterone OCC(=O)[C@H]4CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_303642 -NCGC00181039-02 196717993 tox21-ror-cho-viability-p1 set2 4 29.8492948118 -13.557105924 4 -9.557105924 1.372261 0.6368652119 0.073250577 2.32650766 1.92040139 1.7457945 5.36899672 4.97535694 5.26094783 6.72013734 7.43153581 5.05845873 3.37559686 1.13468939 3.11743752 0.03776711 1.68087847 -6.29758827 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6114-21-2 5282184 170466006 F Ethyl linoleate O=C(CCCCCCC/C=C\C/C=C\CCCCC)OCC Tox21_112687_1 -NCGC00015426-09 196718013 tox21-ror-cho-viability-p1 set2 4 1.09723237 1.56607487 -1.10999384 -6.38104159 -6.95130813 -12.16755622 -10.12833478 -1.05468481 1.23304334 -6.86425709 -0.15618149 0.70507098 -6.0865416 0.69602176 0.78762894 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80288-49-9 3433 170466557 A Furafylline Cc2nc3N(Cc1ccco1)C(=O)N(C)C(=O)c3n2 Tox21_110143_1 -NCGC00256908-01 196718415 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -20.269980764 -1 -21.269980764 4.9549173134 0.7420734058 0.0221017652 1.22424522 1.77427 -3.59793619 -4.05630258 -3.89669768 0.57155389 -3.87073747 -3.77658969 1.52134797 -1.74245052 -0.79157731 0.93370735 -0.60415402 2.01118245 -17.72498397 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 515-03-7 163263 144213044 A A Sclareol C=C[C@](C)(O)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O Tox21_302727 -NCGC00256918-01 196718426 tox21-ror-cho-viability-p1 set2 4 -2.22593267 -4.38546159 2.40826536 0.98730269 -0.83627878 5.12768794 1.02991476 3.87783187 1.57753526 1.94444134 5.25236196 0.51327916 -0.14277956 -0.106036 3.30874592 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 34413-35-9 36822 144212909 A B 5,6,7,8-Tetrahydroquinoxaline c1nc2CCCCc2nc1 Tox21_302592 -NCGC00256978-01 196718825 tox21-ror-cho-viability-p1 set2 4 -2.6499711 0.399521 -3.84295761 -5.98628612 -2.47851984 -4.39739223 -5.14969146 -2.87991675 -9.42571448 -3.0700601 -0.38532818 -3.21212573 -6.6517479 -1.29914295 -4.59796938 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-98-2 7900 144213586 Bc 1-Methoxy-2-propanol CC(O)COC Tox21_303269 -NCGC00256572-01 196718835 tox21-ror-cho-viability-p1 set2 4 1.52332847 1.33308491 1.12340477 1.60502794 0.41543859 6.80823935 1.88762205 3.47851754 3.00208368 6.37464421 4.39594039 5.26511484 2.26916226 2.56550294 1.3287025 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 110-12-3 8034 144213223 Fns 5-Methyl-2-hexanone CC(C)CCC(C)=O Tox21_302906 -NCGC00163906-02 196718838 tox21-ror-cho-viability-p1 set2 4 1.65576127 2.29312202 0.35947453 0.07289243 2.23832744 5.03593132 -1.25651752 2.267136 -0.51584674 0.61305885 -2.64750668 2.86088697 0.45842167 3.17098204 -0.7745735 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00256462-01 196719266 tox21-ror-cho-viability-p1 set2 4 0.72447331 0.4714114 1.95658964 -0.57813137 0.47415572 0.59215007 1.80811954 -1.31999265 -7.69297999 -7.99681145 -0.55142622 3.94309469 1.96413909 0.7840338 6.72621489 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 818-61-1 13165 144213285 A A 2-Hydroxyethyl acrylate C=CC(=O)OCCO Tox21_302968 -NCGC00091086-02 196719267 tox21-ror-cho-viability-p1 set2 4 2.42452867 1.4473422 -2.54795159 1.55944854 -13.24501954 -2.12478304 2.95759147 -1.96596013 0.76959978 1.20107804 1.82705325 4.71193351 4.15878432 4.00580371 0.81257346 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00257245-01 196719279 tox21-ror-cho-viability-p1 set2 4 12.1971512362 10.6027276599 -5.6027276599 5 0.5999999999 0.7758135324 0.0130107191 -3.61082184 -8.00227305 -3.34947547 -6.28325384 -3.5800345 -6.03303674 -7.20713094 -3.72121866 -4.40287368 -2.88779369 -0.50678112 -2.1723302 -0.4545052 0.97239107 3.96788542 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2304-30-5 75311 144213793 A A Tetrabutylphosphonium chloride [Cl-].CCCC[P+](CCCC)(CCCC)CCCC Tox21_303484 -NCGC00257239-01 196719289 tox21-ror-cho-viability-p1 set2 4 -0.06843843 1.21185354 0.85544864 -1.89958442 -7.31548883 -5.59675889 -3.16434104 1.59697195 -3.5286704 -4.88874521 -2.9963415 -2.20844708 -1.61097562 -0.63643005 -1.81521456 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10081-67-1 82343 144213704 F Ac 4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline CC(C)(c1ccccc1)c2ccc(cc2)Nc3ccc(cc3)C(C)(C)c4ccccc4 Tox21_303392 -NCGC00257165-01 196718449 tox21-ror-cho-viability-p1 set2 4 1.31043153 0.1065523 2.12863909 3.16753671 1.16492355 2.28119956 1.2221138 1.32418201 3.14103224 0.76219138 5.93370957 0.71472489 0.0486883 4.45344711 2.25021291 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-48-8 7092 144213497 A A 6-Methyl coumarin Cc1ccc2OC(=O)C=Cc2c1 Tox21_303180 -NCGC00164127-03 196724385 tox21-ror-cho-viability-p1 set3 4 61.130564862 -21.4182071959 1 -20.4182071959 4.4494702849 0.7028571646 0.0369684119 -6.42538477 -1.60920343 -0.90102277 -1.42772648 3.45713912 0.25634765 -1.31257182 3.6733386 3.26572562 5.66262994 1.76020174 4.75670928 3.02265553 -2.39679375 -17.43183933 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00357126-01 196724392 tox21-ror-cho-viability-p1 set3 4 2.74320086 -8.64910724 0.40306843 -8.00861915 -7.55410161 0.16411647 -1.59698916 -1.3461335 1.39013151 -2.17743652 1.23312265 -0.70552023 -1.54362321 -1.02847251 -13.79286071 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6283-25-6 22691 251919743 A 2-Chloro-5-nitroaniline Nc1cc(ccc1Cl)[N+]([O-])=O Tox21_303861 -NCGC00168342-02 196724402 tox21-ror-cho-viability-p1 set3 4 5.48138981 -1.38857471 2.02444285 2.51594314 0.12237177 1.96564304 -0.62540186 -1.3349988 3.44063823 -2.85470102 2.36594682 -0.5239147 0.8565998 3.49274587 -2.71270883 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00260273-01 196724474 tox21-ror-cho-viability-p1 set3 4 0.0110133051 7.243009076 -5.243009076 2 1.6266150999 0.3359577344 0.3348146958 -5.86828602 -0.88526332 -8.11917423 1.83808008 0.86978705 2.46282831 2.33145528 1.80798108 2.28091279 -7.24807718 3.34049768 -0.09907822 7.28424043 1.76793328 2.61467701 1.313E-9 2.9359999999E-9 6.5649999999E-9 1.468E-8 3.283E-8 7.34E-8 1.641E-7 3.67E-7 8.2059999999E-7 0.0000018349999999 0.0000041029999999 0.000009175 0.00002052 0.00004588 0.00010259999999 120-29-6 449293 144209923 A A Tropine CN2[C@H]1CC[C@@H]2C[C@H](O)C1 Tox21_202725 -NCGC00163953-03 196724463 tox21-ror-cho-viability-p1 set3 -3 72.7253077472 -57.8755145941 0.349673958 -57.5258406361 4.9549173134 0.9332714934 0.0000399128 -3.19305851 0.56875303 -5.00353891 -2.51141067 5.05418055 1.01928793 2.69066175 -0.37826921 -5.04887147 2.61223771 1.08070381 4.05097609 4.63525297 -3.27474918 -46.44907987 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.000019359999999 0.00004328 0.000096779999999 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00357242-01 196724471 tox21-ror-cho-viability-p1 set3 -2.2 61.130564862 -58.3858091413 -5.316508745 -63.7023178863 3.5117481694 0.90141992 0.0002997768 -6.07107781 -3.50477972 -1.36533436 -9.2216505 -6.61883677 -9.32324125 -8.54861077 -10.02134328 -10.14824829 -9.61189633 -6.51012849 1.11787693 0.71667781 -18.82217825 -52.04721052 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 603-36-1 11777 251919914 A Triphenylstibine c1ccccc1[Sb](c2ccccc2)c3ccccc3 Tox21_304035 -NCGC00357254-01 196724475 tox21-ror-cho-viability-p1 set3 4 0.0038570779 12.8301995839 -8.8301995839 4 0.6999999999 0.6824826733 0.0569764183 -6.52516632 -0.95357233 -1.95889094 -1.38488835 3.8848996 0.40025926 4.01035578 1.49016759 5.82208081 4.72084961 3.8555451 6.0827992 -0.46164179 5.36241331 -12.29342989 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3852-09-3 19710 251919899 A Methyl 3-methoxypropionate O=C(OC)CCOC Tox21_304047 -NCGC00260079-01 196724878 tox21-ror-cho-viability-p1 set3 -3 69.0781761974 -67.3181075397 1.5357842974 -65.7823232423 4.9549173134 0.9338966165 0.000037943 -4.57961954 0.80410428 5.88564481 1.56405951 4.39575298 5.79215219 3.78554493 -4.11794327 -5.03131105 1.53154399 3.1927499 1.75314147 -0.98970135 1.2979993 -53.39866924 1.187E-9 2.653E-9 5.9329999999E-9 1.327E-8 2.966E-8 6.633E-8 1.4829999999E-7 3.317E-7 7.416E-7 0.0000016579999999 0.000003708 0.000008291 0.00001854 0.00004146 0.0000927 10026-13-8 24819 144209728 Phosphorus pentachloride ClP(Cl)(Cl)(Cl)Cl Tox21_202530 -NCGC00256387-01 196707906 tox21-ror-cho-viability-p1 set1 4 -9.89614432 -10.44443875 -10.52205131 -13.94726195 -6.54871562 -8.63916921 -16.03166841 -14.06108699 -17.51456905 -14.18091395 -10.82290774 -3.11031258 -14.11460958 -7.35240953 -5.45732693 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-47-0 7505 144213296 F Benzonitrile N#Cc1ccccc1 Tox21_302979 -NCGC00256883-01 196707500 tox21-ror-cho-viability-p1 set1 4 2.61924356 0.51649229 2.14293842 -1.68144098 2.45729447 -0.93013806 6.92234652 -1.79513894 1.11844478 -8.39316577 2.72788181 2.10639716 2.77899395 1.33993949 1.04985494 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6790-58-5 10857465 144212991 A Ac (-)-Ambroxide CC3(C)CCC[C@@]1(C)[C@H]3CC[C@@]2(C)OCC[C@H]12 Tox21_302674 -NCGC00256390-01 196707503 tox21-ror-cho-viability-p1 set1 4 -19.80636284 -11.45441188 -14.61696975 -10.37106496 -16.05479671 -16.4473298 -20.40594112 -19.30129273 -20.62681183 -25.07517097 -23.75175796 -10.10007253 -6.21032513 -16.75152955 -10.33278664 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-05-9 5271566 144213337 A A Diethyl maleate O=C(\C=C/C(=O)OCC)OCC Tox21_303020 -NCGC00257288-01 196707905 tox21-ror-cho-viability-p1 set1 4 -8.94426632 -1.68049885 -4.72464988 -19.40171592 -8.73574787 -12.08628727 -1.27307431 -9.11296832 -20.57386067 -14.49091571 -10.56126619 4.04891562 -3.22179485 -2.69303582 -3.62500803 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-40-7 31209 144213903 A F Pentylcinnamaldehyde O=CC(CCCCC)=Cc1ccccc1 Tox21_303598 -NCGC00257225-01 196707923 tox21-ror-cho-viability-p1 set1 4 0.0005688041 -11.9443615359 11.5 -0.4443615359 4.9549173134 0.4149871911 0.2597982851 8.35790685 -0.69567003 -4.95164697 0.07615617 1.25342656 -3.22565766 -0.12416659 -0.14326252 -0.35691662 1.33099594 1.12440934 3.66189564 2.69763888 -0.43370177 -6.62030128 4.686E-10 1.048E-9 2.343E-9 5.239E-9 1.1709999999E-8 2.619E-8 5.8569999999E-8 1.31E-7 2.929E-7 6.549E-7 0.0000014639999999 0.000003274 0.0000073219999999 0.00001637 0.00003661 379-79-3 9787 144213499 I I Ergotamine D-tartrate O=C(O)[C@H](O)[C@@H](O)C(=O)O.CN2C[C@@H](C=C1c3cccc4ncc(C[C@H]12)c34)C(=O)N[C@]5(C)O[C@]8(O)N(C5=O)[C@@H](Cc6ccccc6)C(=O)N7CCC[C@H]78.CN2C[C@@H](C=C1c3cccc4ncc(C[C@H]12)c34)C(=O)N[C@]8(C)O[C@]7(O)N([C@@H](Cc5ccccc5)C(=O)N6CCC[C@H]67)C8=O Tox21_303182 -NCGC00259840-01 196708740 tox21-ror-cho-viability-p1 set2 4 -0.71161014 1.26369396 9.08850087 4.1517952 0.44674585 0.67640895 0.3944 1.81673365 -4.42889239 -0.87211145 2.40995738 -1.05649404 2.45004284 4.01734699 0.10500278 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.552E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.000003662 0.00000819 0.00001831 0.00004095 0.00009156 100-00-5 7474 144209489 A A 1-Chloro-4-nitrobenzene O=[N+]([O-])c1ccc(Cl)cc1 Tox21_202291 -NCGC00256261-01 196710859 tox21-ror-cho-viability-p1 set2 4 4.6996749 -1.44404739 -0.88579281 -0.72729954 -1.24186095 -3.99950193 -1.92571503 3.36647462 -1.43163548 -1.6564083 0.517815 0.07793523 -0.40577522 -1.23537281 -2.28750866 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4536-30-5 24750 144211910 A F 2-(Dodecyloxy)ethanol OCCOCCCCCCCCCCCC Tox21_301593 -NCGC00255475-01 196710848 tox21-ror-cho-viability-p1 set2 4 -14.67684795 -5.71494276 -8.7107931 -8.7224074 -14.35699299 -9.10185254 -6.89261505 -13.64373823 -7.17990715 -5.92510993 -4.85848586 -7.43933558 -10.07406066 -7.3688566 -10.98880171 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 557-34-6 11192 144212333 A Zinc acetate [Zn+2].[O-]C(C)=O.[O-]C(C)=O Tox21_302016 -NCGC00255404-01 196710854 tox21-ror-cho-viability-p1 set2 4 72.3646948668 13.9811079 0.0188921 14 4.9549173134 0.8709495722 0.0011596414 -0.07137867 1.6651222 -1.65092325 -0.18491379 1.37799423 -0.82248949 0.77250706 -0.80145475 0.05594487 -0.08337527 1.40338594 1.72985414 0.44067212 0.03587716 10.84651407 1.121E-9 2.507E-9 5.6069999999E-9 1.254E-8 2.8029999999E-8 6.268E-8 1.402E-7 3.134E-7 7.0079999999E-7 0.0000015669999999 0.000003504 0.000007836 0.000017519999999 0.00003918 0.000087599999999 654055-01-3 18542136 144211533 A A Morin hydrate O.O.Oc3ccc(C=2Oc1cc(O)cc(O)c1C(=O)C=2O)c(O)c3 Tox21_301216 -NCGC00256020-01 196710858 tox21-ror-cho-viability-p1 set2 4 0.6113056486 11.268663356 -5.268663356 6 0.3 0.5234479292 0.1763407927 -6.47388613 0.09245312 -1.1643957 -5.95278624 0.4181565 -2.18148501 -3.0844467 0.83450405 3.73892841 -0.69225738 -0.63743018 3.83401119 4.06536154 2.95851467 -1.67942301 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3848-24-6 19707 144212666 F 2,3-Hexanedione CC(=O)C(=O)CCC Tox21_302349 -NCGC00255735-01 196710860 tox21-ror-cho-viability-p1 set2 4 38.5707788719 -6.8283659399 0.5 -6.3283659399 2.7202212143 0.3834352937 0.2918222488 -4.18280589 -1.64980122 0.78994363 1.05712463 -0.31322144 0.6805936 0.94728249 0.60628612 1.03795623 -0.05542385 7.11026945 1.20578116 -0.67867255 -2.87809926 -5.69030495 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2595-54-2 17434 144212322 A A Mecarbam CCOP(=S)(OCC)SCC(=O)N(C)C(=O)OCC Tox21_302005 -NCGC00260537-01 196711254 tox21-ror-cho-viability-p1 set2 4 53.8737756516 21.661133908 -5.661133908 16 3.2974983358 0.5963148254 0.0996750891 -2.83994573 -2.93814813 -9.01273219 -5.05201458 -5.43157028 -4.26134199 -7.97836156 -10.73380751 -15.96761159 -4.6658104 0 0 -6.37630349 0.67541217 12.74199015 1.1689999999E-9 2.6129999999E-9 5.843E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.461E-7 3.2659999999E-7 7.3029999999E-7 0.0000016329999999 0.000003652 0.0000081649999999 0.00001826 0.000040829999999 0.00009129 80-05-7 6623 144210190 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_202992 -NCGC00260384-01 196711500 tox21-ror-cho-viability-p1 set2 -1.4 0.149600855 -28.2009939167 0 -28.2009939167 0.6 0.6680532265 0.0537573217 -0.88846632 -1.84423763 -0.83341271 -0.62927669 -0.96814178 0.02588493 -5.82005937 -4.93112284 -7.99682927 -23.26782651 -2.28250267 -12.23255765 -35.62603533 -20.53336796 -22.91932689 5.899E-11 1.319E-10 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 50-63-5 64927 144210036 Z A Chloroquine bis(phosphate) O=P(O)(O)O.O=P(O)(O)O.CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 Tox21_202838 -NCGC00091902-08 196711093 tox21-ror-cho-viability-p1 set2 4 0.3063785869 4.392146368 -5.892146368 -1.5 1.21 0.4023325598 0.2905953547 -6.74621507 -5.00184283 -3.41577161 -3.30707296 -7.35590308 -9.07678864 -5.85878964 -0.35900293 -2.47835189 -3.59867154 -1.19931992 1.32583826 -1.87999089 -4.6508677 -15.44276711 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00260255-01 196711488 tox21-ror-cho-viability-p1 set2 4 31.1370465254 15.093706856 1.906293144 17 3.2974983358 0.8243172858 0.0046076512 -0.39432733 0.65185578 -0.91142238 0.73785991 3.43991636 0.3880619 3.67417308 3.82607273 2.75544364 7.12677408 1.34047623 -0.38717716 5.20335379 12.8626981 16.72183016 1.196E-9 2.6749999999E-9 5.982E-9 1.338E-8 2.9909999999E-8 6.689E-8 1.496E-7 3.344E-7 7.478E-7 0.0000016719999999 0.0000037389999999 0.000008361 0.00001869 0.000041799999999 0.00009347 608140-09-6 16719897 144209905 D 1-Methyl-1-propylpyrrolidinium bromide [Br-].C[N+]1(CCC)CCCC1 Tox21_202707 -NCGC00357252-01 196711493 tox21-ror-cho-viability-p1 set2 2.4 61.130564862 23 2.5 25.5 3.9294729863 0.9338060537 0.0000387165 2.78017697 2.61292449 2.27691085 3.00466227 3.39537267 4.17015551 0.2731193 5.42646212 2.25489612 1.79598304 0.63566113 3.87263051 2.03675969 6.7710597 21.51161998 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23726-91-2 91759532 251919887 F (E)-beta-Damascone CC=1CCCC(C)(C)C=1C(=C)\C=C\C Tox21_304045 -NCGC00256917-01 196708209 tox21-ror-cho-viability-p1 set1 4 10.8707224818 -22.719733188 1.5 -21.219733188 3.0654483358 0.9320186315 0.1439971124 1.7022575 2.34571753 1.36547171 0.68333641 0.93369456 2.4141381 3.3706818 1.09333751 0.00765952 1.44420089 1.09177192 -1.99065179 -22.68311099 -67.55131527 -18.09779478 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2274-11-5 75282 144212894 F A Ethylene acrylate O=C(C=C)OCCOC(=O)C=C Tox21_302577 -NCGC00257126-01 196707794 tox21-ror-cho-viability-p1 set1 4 -0.11615982 3.01177982 4.6155007 4.25224507 5.43862815 1.81055092 1.26637746 2.52224526 3.7355063 3.79260581 4.60674351 4.9499415 1.05474398 6.23846402 0.54209706 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-92-5 6616 144213469 Fns Camphene CC2(C)C(=C)C1CCC2C1 Tox21_303152 -NCGC00256613-01 196708189 tox21-ror-cho-viability-p1 set1 4 5.72348588 4.63029593 4.24578335 0.04484077 -0.03464731 0.92100047 7.54312688 -2.63143946 7.01645405 6.98414664 0.16977741 9.78084494 -1.39054577 8.87950931 14.38684822 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 108-89-4 7963 144213278 Fns 4-Methylpyridine Cc1ccncc1 Tox21_302961 -NCGC00257052-01 196708208 tox21-ror-cho-viability-p1 set1 4 -0.54570087 0.6774554 2.98118721 0.85580859 2.03771955 -11.33110523 2.17349536 2.45851369 1.17426455 -13.19395613 -12.17052086 1.78157134 -0.16256106 2.89527963 -13.33674948 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 108-38-3 7929 144213520 Fns m-Xylene Cc1cccc(C)c1 Tox21_303203 -NCGC00256481-01 196708210 tox21-ror-cho-viability-p1 set1 4 43.2771256911 14.786193476 1.213806524 16 0.9999999999 0.6946570039 0.0410040119 -1.90516123 1.79287715 0.04315195 -0.33226394 2.38957048 -0.16357002 1.41307741 1.71405085 5.92078232 1.93204618 0.21080569 7.18437259 2.91403465 7.3703742 13.31927119 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-67-0 8815 144213247 A Ac Estragole COc1ccc(CC=C)cc1 Tox21_302930 -NCGC00259767-01 196708603 tox21-ror-cho-viability-p1 set2 4 -3.3779438 -1.9144172 -3.34301676 -18.10748264 -3.31737107 -0.02495965 -1.91850381 -0.89633688 -0.96173063 -0.6438616 -1.9150956 -3.00099107 -2.24555255 -0.00281406 -1.22328859 1.177E-9 2.6319999999E-9 5.8849999999E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.0000036779999999 0.000008225 0.00001839 0.00004113 0.00009196 41340-25-4 3308 144209416 A A Etodolac O=C(O)CC3(CC)OCCc2c3nc1c(cccc12)CC Tox21_202218 -NCGC00259439-01 196708621 tox21-ror-cho-viability-p1 set2 4 -0.94794564 -1.21475396 -2.69712747 0.98616453 -1.4827571 0.19834468 -0.09654864 1.13397938 -1.58488625 -0.80496804 -1.28997386 -0.40121359 -38.49420564 3.00576752 2.40628523 1.204E-9 2.693E-9 6.021E-9 1.346E-8 3.011E-8 6.732E-8 1.5049999999E-7 3.366E-7 7.527E-7 0.000001683 0.000003763 0.0000084149999999 0.00001882 0.00004208 0.00009408 96-23-1 7289 144209088 A A 1,3-Dichloro-2-propanol ClCC(O)CCl Tox21_201890 -NCGC00260004-01 196708622 tox21-ror-cho-viability-p1 set2 4 3.52865544 1.05345628 2.31214716 0.53425411 -0.2332614 -2.03159806 -0.74051988 0.24068502 -1.28017132 1.38066327 3.59526057 1.44469183 3.35223837 2.38284017 0.9394912 1.197E-9 2.677E-9 5.9849999999E-9 1.338E-8 2.993E-8 6.6919999999E-8 1.496E-7 3.346E-7 7.482E-7 0.000001673 0.000003741 0.000008365 0.000018699999999 0.000041819999999 0.000093519999999 50-21-5 612 144209653 B A Lactic acid O=C(O)C(C)O Tox21_202455 -NCGC00259432-01 196708623 tox21-ror-cho-viability-p1 set2 4 -2.71763642 -5.11763749 -5.80126718 0.87884984 -3.56024499 0.00917094 -0.26117841 1.36897639 2.91261482 2.39386983 -1.76943902 -1.83660234 -1.20261414 -3.19672308 -1.02815957 1.191E-9 2.664E-9 5.9569999999E-9 1.332E-8 2.979E-8 6.66E-8 1.489E-7 3.33E-7 7.446E-7 0.000001665 0.0000037229999999 0.0000083249999999 0.00001862 0.00004163 0.00009308 694-83-7 4610 144209081 A F 1,2-Cyclohexanediamine NC1CCCCC1N Tox21_201883 -NCGC00254013-01 196720138 tox21-ror-cho-viability-p1 set3 -2.1 45.365932358 -82.4410938788 -7.5658960899 -90.0069899687 2.7202212143 0.9464145826 0.00001226 -12.66805457 -18.41518456 -6.82430979 -10.21273908 -11.99151658 -9.28123427 -7.36405718 -4.24283514 -2.96461502 -3.13744796 -2.93132496 -3.43100674 -7.80998839 -40.5815195 -78.41438634 1.115E-9 2.493E-9 5.574E-9 1.246E-8 2.7869999999E-8 6.2319999999E-8 1.394E-7 3.1159999999E-7 6.9679999999E-7 0.000001558 0.000003484 0.00000779 0.00001742 0.00003895 0.000087099999999 NOCAS_47353 60196404 144210556 A A SSR 241586 HCl Cl.O=C(N3CC(CCN1CCC(CC1)(C(=O)N(C)C)N2CCCCC2)(OCC3)c4ccc(Cl)c(Cl)c4)c5ccccc5 Tox21_300236 -NCGC00091086-02 196720930 tox21-ror-cho-viability-p1 set3 4 48.5577336745 14.4515777319 -6.9515777319 7.5 2.6384283767 0.8372269591 0.0033292638 -5.70499794 -7.09327737 -8.39858281 -6.81985877 -8.70964811 -8.30812581 -3.94945585 -7.0361763 -8.31940205 -3.98293312 -7.87124019 -6.34784157 -5.63565787 -1.83372742 5.30436396 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00254372-01 196720537 tox21-ror-cho-viability-p1 set3 4 -4.04352692 5.25368033 0.35835545 2.10345465 -13.81979159 2.13452211 1.33884277 -1.46815963 0.28624591 0.39680393 5.11301095 -0.15878415 3.04379184 4.44098693 0.65325728 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3056-17-5 18283 144210900 A A Stavudine CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@@H](CO)O2 Tox21_300583 -NCGC00254213-01 196720140 tox21-ror-cho-viability-p1 set3 4 15.3553036427 -11.6228529 9.5 -2.1228529 4.9549173134 0.4130478499 0.2593075909 6.02655502 3.87816138 9.71862193 5.59167952 16.40926251 8.9232609 0.77488502 5.52840582 14.73671413 9.41762796 10.14835101 21.09427482 -1.06691566 -0.19237452 -3.43571075 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-54-4 7393 144210423 A A 4-tert-Butylphenol CC(C)(C)c1ccc(O)cc1 Tox21_300103 -NCGC00254939-01 196720146 tox21-ror-cho-viability-p1 set3 4 -7.35615696 -7.68583001 -9.40834076 0.37847561 -7.86142465 -7.64169824 4.30545513 -4.89820954 -0.58364375 -6.5183851 -7.40972676 -0.82743686 0.89627197 0.6763497 0.55662146 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-75-2 7828 144211354 FC Carbonochloridic acid, oxydi-2,1-ethanediyl ester O=C(Cl)OCCOCCOC(Cl)=O Tox21_301037 -NCGC00254458-01 196720553 tox21-ror-cho-viability-p1 set3 4 -4.03954661 17.31628762 16.62620131 -6.93484196 11.55833996 12.5377156 -6.8600648 17.19053453 13.74692821 11.77664807 -8.18067216 11.52661158 16.86018425 3.74380414 -0.94604078 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-93-0 12329 144210681 A A Dimethyl adipate O=C(CCCCC(=O)OC)OC Tox21_300363 -NCGC00254912-01 196720558 tox21-ror-cho-viability-p1 set3 4 0.0002921105 -33.47020065 -31.26808918 -19.59490586 -12.14841271 -21.53085726 -16.2786142 -10.80670874 -11.35380518 -6.86642239 -5.45868618 -1.81806269 -2.27653638 -2.08745661 0.07116407 -3.04581696 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 219714-96-2 11784975 144211327 A A Penoxsulam FC(F)(F)c1cccc(OCC(F)F)c1S(=O)(=O)Nc2nc3c(cnc(OC)n3n2)OC Tox21_301010 -NCGC00091380-04 196720954 tox21-ror-cho-viability-p1 set3 4 30.6378586933 7.756525416 -4.756525416 3 4.9549173134 0.4521966114 0.2240552527 -8.85008751 -3.45692321 -5.34845831 1.72150039 -3.49737716 -3.81744658 -8.96377118 -6.6503119 -4.47374737 -3.03805661 -1.77566927 -6.21675998 -7.12372567 2.20309041 2.84918983 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00259017-01 196720958 tox21-ror-cho-viability-p1 set3 4 -6.34423322 -7.07379826 -6.68028284 -1.83272154 -5.31414014 -6.55495658 -6.52607012 -2.28383032 -5.35048983 -3.47439139 -5.3079116 -6.34761515 -10.26050638 -11.64811575 -10.61937458 1.2009999999E-9 2.6849999999E-9 6.0029999999E-9 1.3419999999E-8 3.0009999999E-8 6.711E-8 1.501E-7 3.356E-7 7.5029999999E-7 0.0000016779999999 0.0000037519999999 0.0000083889999999 0.00001876 0.00004195 0.00009379 67747-09-5 73665 144208664 A A Prochloraz O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2 Tox21_201466 -NCGC00258885-01 196720959 tox21-ror-cho-viability-p1 set3 4 15.6368108114 8.7253712119 -1.7253712119 7 1.98874246 0.5250609005 0.175053568 -0.66243697 0.49121834 -5.63050567 -6.85447601 -0.8819477 -1.75348641 0.48615535 0.74905449 -2.68181712 0.2694697 -2.88954722 0.94912306 3.18836026 5.97698649 -0.32104622 1.198E-9 2.6779999999E-9 5.989E-9 1.339E-8 2.994E-8 6.696E-8 1.497E-7 3.3479999999E-7 7.486E-7 0.0000016739999999 0.0000037429999999 0.00000837 0.000018719999999 0.00004185 0.00009358 150-78-7 9016 144208531 A Ac Hydroquinone dimethyl ether COc1ccc(OC)cc1 Tox21_201333 -NCGC00259829-01 196720964 tox21-ror-cho-viability-p1 set3 4 0.048162956 5.7320979639 -6.7320979639 -1 0.9999999999 0.4065137041 0.2682157184 -1.6180812 -8.00300103 -12.69341497 -2.0590467 -4.17789808 -2.98801428 -2.87680666 -2.15431899 -1.39511018 -2.24193202 -0.76437614 -3.33889707 -1.37730238 -0.43718943 1.42123802 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.552E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.000003662 0.00000819 0.00001831 0.00004095 0.00009156 27138-31-4 101560 144209478 A A Di(propylene glycol) dibenzoate CC(OC(=O)c1ccccc1)COCC(C)OC(=O)c2ccccc2 Tox21_202280 -NCGC00259400-01 196721369 tox21-ror-cho-viability-p1 set3 4 13.05858473 9.3156536 15.90166021 20.96202793 17.05844225 18.19760899 13.16786188 14.61902959 13.53410378 11.05942352 14.40239501 13.49225236 15.80120976 13.30580765 10.94795497 1.1679999999E-9 2.6129999999E-9 5.8419999999E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.4599999999E-7 3.2659999999E-7 7.3019999999E-7 0.0000016329999999 0.0000036509999999 0.000008164 0.00001826 0.00004082 0.00009128 1143-38-0 2202 144209049 FC Anthralin Oc2cccc1Cc3cccc(O)c3C(=O)c12 Tox21_201851 -NCGC00090773-04 196726071 tox21-ror-cho-viability-p1 set3 4 0.7829120555 -7.4002261719 5.5 -1.9002261719 4.9549173134 0.3215857296 0.3621641981 1.80358067 0.95773771 2.29440037 11.79362514 -1.31351011 12.00828812 11.42982963 6.32825057 1.89991861 -4.69685723 -5.44549663 -2.17939694 -6.58352181 9.19620858 3.86387272 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00253585-01 196725720 tox21-ror-cho-viability-p1 set3 1.2 11.8832183006 38.9226385639 -1.7267768239 37.19586174 4.9549173134 0.8942613808 0.0004247868 -4.39525912 -5.42891513 -5.12539123 -1.49475198 3.63942833 3.61095292 2.38440998 2.25889275 -3.83693974 -3.68293182 -1.85504817 -6.02231402 4.8790267 44.4931029 29.921355 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 139-62-8 10839 170465528 A A Cyclomethycaine CC3CCCCN3CCCOC(=O)c2ccc(OC1CCCCC1)cc2 Tox21_113723 -NCGC00179625-03 196725711 tox21-ror-cho-viability-p1 set3 4 0.16785492 10.3953251601 0.6046748399 11 1.6266150999 0.7999774765 0.0080083239 1.27857255 1.52726969 0.24853495 2.65199784 -0.49396797 2.21804346 -1.9961043 6.06439361 12.58305161 9.18276073 9.14313277 8.57061384 11.31214836 16.10853352 9.38283219 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2347-80-0 92178 170465871 A Thioproperazine dimethanesulfonate CS(=O)(=O)O.CS(=O)(=O)O.CN(C)S(=O)(=O)c2cc3N(CCCN1CCN(C)CC1)c4ccccc4Sc3cc2 Tox21_110751_1 -NCGC00016767-05 196725709 tox21-ror-cho-viability-p1 set3 4 3.19593242 7.96074958 3.85284065 3.0633486 2.24926591 3.83181431 -1.80974571 -3.9954305 0.36306877 7.40593112 -3.87998972 3.55824709 -0.44938909 4.98350216 6.35487693 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 22668-01-5 3276 170466603 A Etandazole O=C(Cn1ccnc1[N+]([O-])=O)NCCO Tox21_110599_1 -NCGC00165740-05 196725712 tox21-ror-cho-viability-p1 set3 4 0.0118832183 16.6077889321 0.3922110679 17 1.6258976909 0.6334422048 0.0866588656 0.52888304 -0.08982411 0.85728214 9.96437492 5.79961073 12.92281057 21.06736663 27.33603648 21.00834312 16.22208495 20.04615513 15.67609947 6.36170541 11.31054572 6.73918974 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 86541-74-4 5362123 170465003 D Benazepril Cl.O=C(OCC)[C@H](CCc1ccccc1)N[C@H]3CCc2ccccc2N(CC(=O)O)C3=O Tox21_111441_1 -NCGC00015810-12 196725729 tox21-ror-cho-viability-p1 set3 -2.4 10.5909294584 -26.919596408 0.5 -26.419596408 0.7999999999 0.82444018 0.0045634488 -0.38620569 -0.04352563 1.21361734 -0.45665661 0.13517677 2.68560576 -1.13869276 1.83576026 0.16039906 -10.8439643 -2.80518264 -2.84381853 -16.19829107 -14.50731527 -20.76633034 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61-25-6 6084 170465687 A Papaverine hydrochloride Cl.COc1ccc(cc1OC)Cc3nccc2cc(OC)c(cc23)OC Tox21_110226_1 -NCGC00142624-05 196725730 tox21-ror-cho-viability-p1 set3 -1.2 0.004216325 -27.260865692 12 -15.260865692 0.7999999999 0.9059827509 0.0002368821 10.14929706 1.46248109 -0.88773793 -0.46656532 -10.47211628 -12.04001533 -13.43984647 -11.4366753 -14.24472554 -19.80072141 -12.32422039 -12.15409363 -17.06197378 -14.71518529 -16.67790717 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4618-18-2 11333 170464861 Z Lactulose O[C@H]2[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H](CO)O[C@]2(O)CO Tox21_111318_1 -NCGC00018296-07 196725733 tox21-ror-cho-viability-p1 set3 4 -0.16127856 -1.32524628 9.49080527 0 19.14602083 -6.42134063 -8.75597357 -0.86910147 2.08334025 20.79819188 -8.24304557 -2.30828816 0.64077515 4.44598753 -7.12782768 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1104-22-9 64713 170464899 A Meclizine hydrochloride Cl.Cl.Cc1cccc(c1)CN2CCN(CC2)C(c3ccc(Cl)cc3)c4ccccc4 Tox21_110497_1 -NCGC00179541-03 196726141 tox21-ror-cho-viability-p1 set3 4 9.4391758155 13.063038388 -2.063038388 11 3.9899729863 0.6483789757 0.0652404553 -6.53798121 -8.80253199 -4.39243204 1.38577588 -1.36620041 3.16533528 3.00325693 -3.68811762 -1.33620349 -1.46832884 -2.78425413 0.2127653 3.58176325 13.70721643 8.3739197 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51781-21-6 40127 170465122 Ac Carteolol hydrochloride Cl.CC(C)(C)NCC(O)COc1cccc2NC(=O)CCc12 Tox21_110654_1 -NCGC00257375-01 196726545 tox21-ror-cho-viability-p1 set3 4 0.1586234 -5.22891628 0.71768269 1.95325865 -0.27242938 0.49319168 3.15697868 1.68721544 2.91576297 4.55963769 4.09920317 1.07377804 1.4660798 -0.26665028 -0.74478286 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-93-4 7469 144213907 A A 4-Hydroxyacetophenone O=C(C)c1ccc(O)cc1 Tox21_303602 -NCGC00257205-01 196726548 tox21-ror-cho-viability-p1 set3 4 5.01525715 4.38833308 2.16602464 1.65959542 2.39163879 0.7421112 2.58563278 2.76689653 -0.6146048 2.07243213 1.53394677 5.77421839 1.10079878 2.78427095 -0.93176584 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 610-39-9 11883 144213527 A A 3,4-Dinitrotoluene O=[N+]([O-])c1cc(C)ccc1[N+]([O-])=O Tox21_303210 -NCGC00164574-06 196713357 tox21-ror-cho-viability-p1 set2 -2.4 13.3331902297 -29.479292752 1 -28.479292752 1.8079476909 0.9561427009 0.0000041005 -0.49049871 -1.69236615 -1.44819184 0.62735328 2.30157217 2.89652855 -0.02356874 1.92650461 0.97938282 1.39120006 2.7548926 -2.09644593 -11.44021011 -17.23510116 -28.73274396 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 183321-74-6 176870 170465434 A Erlotinib C#Cc1cc(ccc1)Nc3ncnc2cc(OCCOC)c(cc23)OCCOC Tox21_112202_1 -NCGC00181341-02 196712921 tox21-ror-cho-viability-p1 set2 4 0.2984929481 -7.2310246999 1 -6.2310246999 4.9549173134 0.7454741198 0.0272601242 0.20250236 2.78877665 1.77926791 0.48289032 1.77491086 -3.25851123 1.19367144 1.57649389 -5.0860587 -5.34498168 -2.71907122 -9.35918725 -5.04602861 -8.76710502 2.06266738 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87233-62-3 5282485 170465197 A Emedastine difumarate CN1CCCN(CC1)c3nc2ccccc2n3CCOCC.O=C(O)\C=C\C(=O)O.O=C(O)\C=C\C(=O)O Tox21_112800_1 -NCGC00182985-01 196713340 tox21-ror-cho-viability-p1 set2 4 -1.01070781 2.66606583 4.55739115 5.20827456 -0.42892404 2.2004678 1.91802008 1.9797857 4.24905249 -1.61325347 -1.84290881 0.69801119 0.32826537 2.86940618 2.56661611 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7077-34-1 11499 144206882 F Fns Trolnitrate O=[N+]([O-])OCCN(CCO[N+]([O-])=O)CCO[N+]([O-])=O Tox21_113331 -NCGC00182025-01 196713341 tox21-ror-cho-viability-p1 set2 4 3.38947004 2.79351501 0.83166156 2.40484994 3.62919323 1.45438161 3.11920712 -0.13635639 5.7603929 -0.70426513 1.56747465 4.4888126 0.36138712 1.22331126 0.58619573 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 927-19-5 80278 144206504 Z Z Dipotassium glycerophosphate [K+].[K+].[O-]P([O-])(=O)OCC(O)CO Tox21_112951 -NCGC00181009-02 196713751 tox21-ror-cho-viability-p1 set2 4 0.0066824247 -8.234785636 6 -2.234785636 3.1319983358 0.5342928974 0.1654801181 -0.66591168 9.80721107 9.49321891 0.16392481 -0.63959255 -0.61444214 -1.65811579 -0.47416907 1.57602301 -4.00922406 -3.59792372 -6.02898803 0.00816989 -4.71481997 1.55833164 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35035-05-3 160243 170465823 A Timepidium bromide [Br-].COC1C\C(C[N+](C)(C)C1)=C(/c2sccc2)c3cccs3 Tox21_112659_1 -NCGC00254471-01 196714192 tox21-ror-cho-viability-p1 set2 -1.1 27.3060203028 -90.3175057367 2.9890615555 -87.3284441812 4.9549173134 0.9867723614 4.3E-9 5.0545284 1.16604776 -0.40564179 6.61407369 0.48248509 7.5072465 6.41001398 -1.12735914 7.1297197 0.49128133 0.22259919 0.54982024 -8.39096188 -81.7280786 -82.71152239 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 484-17-3 10229 144210935 C C 9-Phenanthrol Oc2cc3ccccc3c1ccccc12 Tox21_300618 -NCGC00255090-01 196714587 tox21-ror-cho-viability-p1 set2 4 0.12368893 0.36948626 1.21019386 -0.23929862 -0.73708544 1.63993537 -1.40070697 -0.75172189 -0.65964069 -2.36007806 0.85273305 0.7174718 0.78672803 0.89176606 1.42910851 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85264-33-1 96393 144211509 A D (3,5-Dimethyl-1H-pyrazol-1-yl)methanol Cc1cc(C)nn1CO Tox21_301192 -NCGC00357157-01 196711717 tox21-ror-cho-viability-p1 set2 4 30.6378586933 15.430473356 1.069526644 16.5 1.0999999999 0.6598188913 0.0588497585 5.01522927 1.51613048 3.90892596 -0.95618179 -2.44206113 -1.22135375 0.03305388 5.94400541 2.58389226 -1.78645772 5.85517065 2.51272246 6.29534934 10.74118325 12.92588542 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 687-47-8 92831 251919772 A (L)-(-)-Ethyl lactate C[C@H](O)C(=O)OCC Tox21_303905 -NCGC00260328-01 196711697 tox21-ror-cho-viability-p1 set2 2.4 21.6458352432 22.1611075241 1.8388924759 24 0.4 0.8045021112 0.0072803918 -0.13425627 3.37328746 2.53082573 1.02982727 2.62862198 7.42407723 3.77718328 9.31922854 8.28673898 5.23094873 8.10217576 8.08925497 9.72217845 16.27473442 18.58634682 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.00004117 0.000092069999999 140-79-4 8819 144209980 A Z Dinitrosopiperazine O=NN1CCN(N=O)CC1 Tox21_202782 -NCGC00357244-01 196711711 tox21-ror-cho-viability-p1 set2 2.4 54.4826732819 29.867924896 2.132075104 32 0.7 0.7288548873 0.0265075513 -0.36682605 0.81502193 -0.63480308 -1.55660408 4.66381839 6.21010026 6.99510329 8.57366402 7.23423267 0.67046305 5.26218771 9.957474 8.24828506 13.72771966 23.76953642 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-07-2 6580 251919765 Ac Chloroacetamide ClCC(N)=O Tox21_304037 -NCGC00259013-01 196709052 tox21-ror-cho-viability-p1 set2 4 6.8868725023 -14.540299024 2 -12.540299024 0.6 0.8681768644 0.0012533278 1.74459117 -1.18088203 2.98007974 2.51746411 2.84508269 -1.26182474 1.24093843 1.51592514 0.06871426 -4.77263907 -4.98129812 -3.80720465 -6.09903063 -9.88317512 -10.03358252 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.324E-8 2.96E-8 6.618E-8 1.4799999999E-7 3.309E-7 7.399E-7 0.0000016539999999 0.0000037 0.000008272 0.0000185 0.00004136 0.000092489999999 51-28-5 1493 144208660 A A 2,4-Dinitrophenol O=[N+]([O-])c1cc(ccc1O)[N+]([O-])=O Tox21_201462 -NCGC00091278-03 196710690 tox21-ror-cho-viability-p1 set2 4 2.06729587 1.08816393 -0.65785153 0.68910753 0.77989265 -0.58173935 3.75952211 1.21485468 -1.48207337 -0.29671807 2.14374182 -1.14801918 3.51704385 2.08806263 0.97649834 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00256068-01 196710697 tox21-ror-cho-viability-p1 set2 4 0.4855773367 6.237976476 -4.237976476 2 1.98874246 0.7047468724 0.0452837984 -0.35000856 -7.69831373 -2.89764159 -4.5449222 -5.91572654 -6.1741382 -2.74109943 -1.91219645 -1.08899079 2.55001757 3.18652799 0.53583957 0.46733946 2.31444291 -1.44642847 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5232-99-5 243274 144211994 A A Ethyl 2-cyano-3,3-diphenylacrylate O=C(OCC)C(\C#N)=C(\c1ccccc1)c2ccccc2 Tox21_301677 -NCGC00255322-01 196710701 tox21-ror-cho-viability-p1 set2 4 0.0108707225 -10.4533479319 10 -0.4533479319 1.6266150999 0.8565150246 0.0018674409 9.33428805 9.01751084 8.6640725 1.76148176 1.79927773 1.96647612 -0.92925748 -0.03312011 0.3250742 -1.37129149 1.02758783 -0.4409281 0.75997442 -0.81997247 -4.54445661 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51632-16-7 94544 144211960 F A 1-(Bromomethyl)-3-phenoxybenzene BrCc2cc(Oc1ccccc1)ccc2 Tox21_301643 -NCGC00258942-01 196708638 tox21-ror-cho-viability-p1 set2 4 -0.98062801 0.40387 1.95392691 1.25126248 0.4110111 1.02568286 -1.03116356 3.1664694 -1.32446445 3.1088915 -1.94225944 -0.42846937 -0.98454418 0.01372061 1.29146567 1.1739999999E-9 2.625E-9 5.87E-9 1.3129999999E-8 2.9349999999E-8 6.5629999999E-8 1.468E-7 3.281E-7 7.338E-7 0.000001641 0.000003669 0.000008204 0.00001834 0.00004102 0.00009172 94-20-2 2727 144208589 A A Chlorpropamide O=S(=O)(NC(=O)NCCC)c1ccc(Cl)cc1 Tox21_201391 -NCGC00258881-01 196708644 tox21-ror-cho-viability-p1 set2 4 3.53358614 -0.29455334 -1.3934878 -1.7989982 0.71864069 0.2289073 1.27661196 -1.5605043 2.47473308 2.10297105 -0.29895126 1.55385493 0.9453202 1.78824158 2.62201569 1.1609999999E-9 2.595E-9 5.804E-9 1.298E-8 2.9019999999E-8 6.489E-8 1.451E-7 3.244E-7 7.255E-7 0.000001622 0.0000036269999999 0.000008111 0.00001814 0.000040549999999 0.00009068 6959-47-3 23392 144208527 A A 2-(Chloromethyl)pyridine hydrochloride Cl.ClCc1ccccn1 Tox21_201329 -NCGC00259145-01 196708649 tox21-ror-cho-viability-p1 set2 4 -1.50355301 0.94227143 0.20889469 -0.86192558 -1.33426442 -0.67236709 -0.39058888 -0.84973615 -1.31350504 -2.8648364 -1.42760495 -1.61269384 0.01753247 -0.30527386 1.37935394 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 99-63-8 7451 144208794 D 1,3-Benzenedicarbonyl dichloride O=C(Cl)c1cccc(c1)C(Cl)=O Tox21_201596 -NCGC00258785-01 196709066 tox21-ror-cho-viability-p1 set2 4 21.8223555187 5.2932427119 -3.7932427119 1.5 4.9549173134 0.3210362933 0.3509046509 -0.6214074 -6.00139166 -4.75332998 -6.62317221 -3.39276378 2.83232089 -6.24479715 -1.90331091 -2.30344166 -7.32770226 -5.22799432 -2.66576451 -2.67143674 2.87365127 0.23302822 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 134-32-7 8640 144208431 A A 1-Naphthylamine Nc2cccc1ccccc12 Tox21_201233 -NCGC00163735-04 196709461 tox21-ror-cho-viability-p1 set2 4 28.9524664949 -16.7500296479 0.5 -16.2500296479 1.6258976909 0.9129348771 0.0001619722 -1.0759232 2.61678779 2.79127558 0.61570228 -0.60245372 -0.61987801 -0.89839583 2.95274164 -0.10018854 -0.06564101 -0.70011439 -1.08496937 -5.92551272 -8.74232179 -15.20835804 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00258829-01 196709464 tox21-ror-cho-viability-p1 set2 4 -1.31483068 -4.81533275 0.54108537 -3.06654304 -3.11760528 -0.53972722 -1.31986244 -0.19060759 -3.18740608 -0.82306492 -1.64919058 -0.47856109 -0.42881522 0.61859601 -1.25737713 1.198E-9 2.68E-9 5.992E-9 1.34E-8 2.996E-8 6.6989999999E-8 1.4979999999E-7 3.35E-7 7.4899999999E-7 0.000001675 0.000003745 0.000008374 0.00001873 0.00004187 0.00009363 636-21-5 12484 144208475 A Bc 2-Methylaniline hydrochloride Cl.Cc1ccccc1N Tox21_201277 -NCGC00163815-04 196709467 tox21-ror-cho-viability-p1 set2 -2.2 51.7849095233 -48.9154690022 -0.965035385 -49.8805043872 3.0654483358 0.9874446095 3.2E-9 0.55359275 0.80148689 -3.10889097 -2.93208151 -2.61189126 -2.45406607 0.10847751 -0.98987785 -0.46604476 0.79731599 -1.24976407 -1.4923698 -2.51549322 -19.29341358 -43.84886696 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00259487-01 196709470 tox21-ror-cho-viability-p1 set2 -2.4 68.4501412252 -35.7315116679 1.5 -34.2315116679 3.6772481694 0.9603432991 0.0000023512 1.41937641 1.65552408 -0.5636676 -0.76177896 1.14034828 1.77892553 2.87685838 0.60207402 2.1845326 2.10399155 4.83422358 1.23103849 -0.44333716 -2.75465291 -25.19292639 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.945E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.000003681 0.00000823 0.000018399999999 0.00004115 0.000092019999999 2409-55-4 17004 144209136 A A 2-tert-Butyl-4-methylphenol CC(C)(C)c1cc(C)ccc1O Tox21_201938 -NCGC00259876-01 196722199 tox21-ror-cho-viability-p1 set3 4 30.4821390594 9.79426276 -4.29426276 5.5 4.0949729863 0.5665267146 0.1231341822 -4.26808942 -4.77542396 -2.5642571 4.34366684 -6.6590582 -7.3285523 -6.68469758 -5.21180291 -5.70337161 -3.43381951 -4.6193884 -4.14746516 -2.86410703 3.51502872 5.45204636 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.000018359999999 0.000041049999999 0.000091779999999 90-00-6 6997 144209525 A A 2-Ethylphenol CCc1ccccc1O Tox21_202327 -NCGC00259389-01 196722200 tox21-ror-cho-viability-p1 set3 4 -6.01083033 -1.7757425 -2.97030473 -4.19019962 -4.54154347 -6.00446003 0.23488453 -8.41700082 0.57637866 -2.08822621 -2.25282812 -9.84835945 -1.64781558 -0.03264143 -5.38297122 1.1779999999E-9 2.635E-9 5.891E-9 1.3169999999E-8 2.945E-8 6.586E-8 1.4729999999E-7 3.2929999999E-7 7.364E-7 0.0000016469999999 0.0000036819999999 0.000008233 0.000018409999999 0.000041159999999 0.000092049999999 41317-15-1 162461 144209038 F 4-Methoxy-2-methyl-N-phenylaniline COc2cc(C)c(Nc1ccccc1)cc2 Tox21_201840 -NCGC00259111-01 196721796 tox21-ror-cho-viability-p1 set3 4 -6.98791117 -6.84272597 -3.93323816 -4.59159298 -10.57774649 -5.59685405 -2.05855327 -5.84326709 -3.18571853 -5.91154392 -10.20283198 -8.87321858 -11.90730747 -8.29264047 -9.05979944 1.216E-9 2.719E-9 6.079E-9 1.359E-8 3.0389999999E-8 6.796E-8 1.5199999999E-7 3.3979999999E-7 7.599E-7 0.000001699 0.000003799 0.0000084949999999 0.000018999999999 0.000042479999999 0.00009498 22781-23-3 2314 144208760 A A Bendiocarb CNC(=O)Oc1cccc2OC(C)(C)Oc12 Tox21_201562 -NCGC00259460-01 196722179 tox21-ror-cho-viability-p1 set3 -3 77.2719803821 -37.509721576 -4 -41.509721576 4.9549173135 0.9093432696 0.0505146039 -11.61787251 -5.89010693 -7.61776633 -1.98619503 -1.50647672 -6.68844382 -7.39428142 -3.0185207 -10.48007399 -2.22798096 -12.82160796 -9.4667464 0.63142787 -1.61313764 -32.92476798 1.1839999999E-9 2.648E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.619E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 76-44-8 3589 144209109 A A Heptachlor ClC2=C(Cl)C3(Cl)C1C=CC(Cl)C1C2(Cl)C3(Cl)Cl Tox21_201911 -NCGC00163818-04 196722594 tox21-ror-cho-viability-p1 set3 4 2.7306020303 -12.024531132 1 -11.024531132 4.9549173134 0.8506443959 0.002221545 -1.46587502 -0.14598749 3.02048552 -1.90433576 6.21544834 0.34849972 1.37880535 -1.52142354 2.25293847 1.4819231 -9.2773774 -7.10170487 -12.52044261 -11.19364476 -12.08323026 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00159450-04 196722596 tox21-ror-cho-viability-p1 set3 1.2 5.9557173066 45.2902787438 -1.7418788919 43.5483998519 2.2526478767 0.8762926886 0.0015163987 -7.22775316 1.14002569 1.94084445 -9.22591867 -6.73300615 0 -5.78751865 0 4.19597765 4.85891405 5.06174433 6.23892398 39.06631645 36.7880707 12.68843063 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-23-5 7183 170465538 A Parethoxycaine CCOc1ccc(cc1)C(=O)OCCN(CC)CC Tox21_111677_1 -NCGC00090780-04 196722602 tox21-ror-cho-viability-p1 set3 4 5.73169905 4.15598186 4.05208068 -14.64688535 5.57851016 5.86134461 6.70480222 -14.57167694 3.805856 4.76791233 0.93865301 0.30424511 -6.40740635 -5.62220623 -1.40368568 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00164544-02 196722606 tox21-ror-cho-viability-p1 set3 4 26.6032120037 14.7403306999 -2.2403306999 12.5 4.9549173134 0.6527267543 0.0629251547 -2.80719377 0.37088876 -0.15947928 -0.31138577 -2.26597823 1.62257955 -0.25157174 -1.24309407 -3.98553668 -4.32011627 -7.11040813 -2.50193509 -8.11694225 1.11559001 11.74611776 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 101530-10-3 9927058 170465886 A Lanoconazole N#C\C(=C1/SCC(S1)c2ccccc2Cl)n3ccnc3 Tox21_112173_1 -NCGC00013109-03 196723012 tox21-ror-cho-viability-p1 set3 4 2.9849294812 27.878635284 -6.378635284 21.5 0.8999999999 0.6073990812 0.0914180065 1.366378 -10.05615786 3.01808706 -6.57860264 -9.36719239 -11.98219607 -11.26180079 -10.3985471 -4.11780091 18.0077035 -9.69560319 13.60193209 14.63149799 15.09002081 20.38099211 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 143-74-8 4766 170465805 B Phenol red Oc1ccc(cc1)C3(OS(=O)(=O)c2ccccc23)c4ccc(O)cc4 Tox21_110012_1 -NCGC00015931-07 196723019 tox21-ror-cho-viability-p1 set3 2.2 29.8492948118 40.3408655247 4 44.3408655247 0.7999999999 0.7032823942 0.03665324 10.21560308 7.81648435 3.63547578 9.65511911 5.28248464 0.53989079 4.24010714 13.21772637 9.5507726 5.84029357 7.85452011 10.39803408 14.20421274 16.66602661 33.64894956 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77145-61-0 131746 170466744 A SR 57227A hydrochloride Cl.Clc1nc(ccc1)N2CCC(N)CC2 Tox21_110263_1 -NCGC00163906-02 196723025 tox21-ror-cho-viability-p1 set3 4 0.0015355304 -24.928864012 26.5 1.571135988 4.9549173134 0.672743688 0.0618822601 21.16259053 2.34102371 0.84307458 -0.63494056 4.10504746 5.2372501 0.00883349 5.88124853 2.67303476 7.01432866 -2.72558689 -6.19072001 4.83473463 0.16116773 8.66931192 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00021146-09 196723426 tox21-ror-cho-viability-p1 set3 4 0.0016785492 27.443393884 -22.943393884 4.5 0.7999999999 0.6342605411 0.0736794864 -15.78616157 -14.82552169 0 0 0 -2.31880081 -2.43914049 0 9.38479705 7.26841779 12.37430684 5.92508235 -1.36545919 -1.57446063 9.91254914 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 74050-98-9 3822 170466645 A Ketanserin Fc1ccc(cc1)C(=O)C4CCN(CCN2C(=O)c3ccccc3NC2=O)CC4 Tox21_110865_1 -NCGC00255789-01 196728311 tox21-ror-cho-viability-p1 set3 4 61.130564862 -27.940094932 1.5 -26.440094932 1.92824246 0.9152901202 0.0001400864 -1.04310735 -1.08952192 2.57171297 -0.20449321 1.14500361 2.89774432 3.22086578 2.92155296 3.23318402 1.46623625 3.97686376 -0.26145853 -2.52507013 -6.70833284 -18.70007911 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13301-61-6 83322 144212542 A A C.I. Disperse Orange 37 Clc2cc(cc(Cl)c2/N=N/c1ccc(cc1)N(CC)CCC#N)[N+]([O-])=O Tox21_302225 -NCGC00256170-01 196728295 tox21-ror-cho-viability-p1 set3 4 2.30305668 4.07999191 1.39527577 5.80998478 0.03044263 0.26153848 1.09172215 2.95003484 1.56346333 2.84914791 1.5185897 -0.31121004 1.29183675 3.34020644 1.91629634 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-36-1 66638 144211598 A B 4-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid O=S(=O)(O)c1ccc(cc1)N2N=C(C)CC2=O Tox21_301281 -NCGC00091839-03 196728299 tox21-ror-cho-viability-p1 set3 4 38.5707788719 -16.963915828 5 -11.963915828 2.4063783767 0.3573124748 0.3127119101 -1.0413029 19.26707171 13.50426972 -1.22876362 6.08809505 0.88494304 1.14237896 8.57081893 1.27217881 1.07015092 -0.09829113 5.82440327 5.54330583 -5.73584476 -9.55326319 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00255458-01 196728305 tox21-ror-cho-viability-p1 set3 4 15.3553036427 -12.748071848 2 -10.748071848 2.2526478767 0.5375288927 0.1460494103 0 0.75245562 7.80492269 8.17153872 5.43844453 -2.33820798 -1.74787257 -1.32591386 -1.94776018 6.45393701 -3.65091483 3.63197596 -7.95738806 -7.18514909 -11.45672654 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 132-54-7 67236 144211967 A A Phenyl 1-hydroxy-2-naphthoate O=C(Oc1ccccc1)c3ccc2ccccc2c3O Tox21_301650 -NCGC00256172-01 196728712 tox21-ror-cho-viability-p1 set3 4 2.95128045 -5.62600129 -0.15185844 2.52281639 2.89304395 -2.66587567 5.77091028 2.47503767 1.79677828 6.7507237 4.67053064 -0.53202456 3.4529634 0 1.15508306 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4205-91-8 20179 144211869 A A Clonidine hydrochloride Cl.Clc2cccc(Cl)c2\N=C1/NCCN1 Tox21_301552 -NCGC00090704-03 196728721 tox21-ror-cho-viability-p1 set3 4 1.9331181962 -3.8797095159 0 -3.8797095159 4.9549173134 0.3065560192 0.3795747353 -0.09430384 0.02418414 -3.62205128 -3.74710396 -0.68901679 5.5730355 -1.3870429 1.46485064 4.33734981 -1.19233166 -6.14975793 -2.58458433 -4.33324276 -1.7138361 0.70007213 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00090789-02 196728723 tox21-ror-cho-viability-p1 set3 4 1.98456782 1.04265006 1.71350064 0.32393019 -1.41101418 0.15187917 2.12690227 6.26773405 3.74282645 2.09606933 4.0480928 -2.86516352 5.87677173 8.49258742 3.42194398 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00255377-01 196728729 tox21-ror-cho-viability-p1 set3 4 -1.20081543 -2.35766247 3.33958395 3.7564981 1.58225617 -4.86269108 4.47316085 3.26093954 -0.44021002 -7.42684611 -11.12571619 5.2039906 6.12476864 4.57612012 -2.72549047 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58-85-5 171548 144212478 A A Biotin O=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1 Tox21_302161 -NCGC00255202-01 196729122 tox21-ror-cho-viability-p1 set3 4 38.5707788719 -17.667234732 -1 -18.667234732 0.7999999999 0.7441784534 0.0214655442 3.37067209 -0.17026974 0.19608784 -2.48165522 -2.15470043 -2.95589667 -0.89733729 -4.45855694 1.6176919 -4.28547509 -3.24229133 -7.63386345 -4.02717161 -9.55065429 -14.72269561 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26049-71-8 93098 144212060 F Fns 2-Hydrazino-4-(4-aminophenyl) thiazole NNc1nc(cs1)c2ccc(N)cc2 Tox21_301743 -NCGC00258389-01 196729544 tox21-ror-cho-viability-p1 set3 4 -0.73983526 -3.70994243 -0.19247961 -0.24070518 -4.12522262 -4.38634425 3.7219455 -0.13337625 -3.90747963 0.32683562 -2.29666288 2.83250282 -0.1067226 -1.1856918 1.17263442 1.182E-9 2.6419999999E-9 5.909E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.386E-7 0.0000016519999999 0.000003693 0.000008258 0.00001846 0.00004129 0.000092319999999 3113-71-1 18370 144208033 A A 3-Methyl-4-nitrobenzoic acid Cc1cc(ccc1[N+](=O)[O-])C(=O)O Tox21_200835 -NCGC00357170-01 196703869 tox21-ror-cho-viability-p1 set1 4 0.57029974 -1.87528953 2.84120282 1.06597933 -0.4702194 -1.73945021 -2.70773277 4.31651112 5.16409698 3.05406504 6.46212225 -2.41416636 -2.83748284 -0.81997631 3.64187388 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5888-33-5 639970 251919911 A Isobornyl acrylate C=CC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C Tox21_303930 -NCGC00260118-01 196703853 tox21-ror-cho-viability-p1 set1 4 -0.24351759 -4.90753683 -0.85732961 -0.52201109 2.03101458 -3.75409205 -4.70639451 -1.09357184 -0.16954792 -2.48378279 -0.52178781 0.43398121 0.02948741 -0.70225937 -2.19653953 1.194E-9 2.67E-9 5.9699999999E-9 1.335E-8 2.985E-8 6.675E-8 1.4919999999E-7 3.337E-7 7.4619999999E-7 0.000001669 0.0000037309999999 0.000008343 0.00001866 0.00004172 0.00009328 52556-42-0 23677323 144209767 A A Sodium 3-(allyloxy)-2-hydroxypropanesulphonate [Na+].[O-]S(=O)(=O)CC(O)COCC=C Tox21_202569 -NCGC00090776-02 196714197 tox21-ror-cho-viability-p1 set2 4 0.14143107 1.30313286 0.03903631 -2.62605824 -1.72738328 -9.28959337 -1.74669817 -5.01132871 -11.98867474 -2.92042746 -1.94316947 -2.38579107 -0.10130821 -3.12002741 -1.62770545 1.164E-9 2.6039999999E-9 5.822E-9 1.302E-8 2.911E-8 6.509E-8 1.4549999999E-7 3.255E-7 7.2769999999E-7 0.0000016269999999 0.000003639 0.000008136 0.00001819 0.00004068 0.000090969999999 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00095133-06 196713370 tox21-ror-cho-viability-p1 set2 4 0.0053080386 -7.8441305679 5.5 -2.3441305679 1.6258976909 0.605951252 0.0937535937 2.87526521 8.9397805 0.54397608 1.99888297 -0.54108066 -2.39172219 -2.76172823 -2.67773215 -2.38985408 -1.54713121 0.06884437 -3.88210839 0.87921718 -6.95344214 -3.76066379 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104227-87-4 3324 170464774 A Famciclovir CC(=O)OCC(COC(C)=O)CCn2cnc1cnc(N)nc12 Tox21_111442_1 -NCGC00159474-03 196713791 tox21-ror-cho-viability-p1 set2 4 2.52672278 -0.70806923 1.10624002 1.879774 2.59638902 2.07339357 0.24056693 1.69365737 3.3462821 1.82835803 0.32695191 2.58966376 -0.19286517 2.61916757 0.16872556 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53-34-9 5876 170465086 F Fluprednisolone OCC(=O)[C@@]4(O)CC[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3C[C@H](F)C1=CC(=O)C=C[C@@]12C Tox21_111698_1 -NCGC00168342-02 196713798 tox21-ror-cho-viability-p1 set2 4 -1.32728503 -8.58600442 0.15445696 1.25211997 -0.67839738 -1.00912965 -1.26857082 1.44161274 -8.08539846 -4.58788314 2.43538855 -4.7790814 -4.33956742 -2.9377832 -3.30624719 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00254602-01 196714202 tox21-ror-cho-viability-p1 set2 -2.1 30.5444110439 -69.9182071206 -5.174790324 -75.0929974446 2.4729283767 0.9913753484 3E-10 -4.53829195 -3.16965342 -2.10248341 -4.3828907 -5.68174976 -5.18514272 -6.90029975 -4.84658122 -6.24539467 -5.84683727 -9.93642736 -6.65448198 -21.30078544 -50.87224711 -73.62058573 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 29091-21-2 34469 144211011 A A Prodiamine [O-][N+](=O)c1cc(c(N)c([N+]([O-])=O)c1N(CCC)CCC)C(F)(F)F Tox21_300694 -NCGC00254706-01 196714203 tox21-ror-cho-viability-p1 set2 4 -1.84149481 -0.79668082 3.41534329 -1.18461487 2.94137671 0.68013091 2.56241073 0.7026166 1.54999719 2.33191004 -1.78934281 1.49125499 3.87827428 2.654071 3.88482901 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 34014-18-1 5383 144211119 A A Tebuthiuron CC(C)(C)c1nnc(s1)N(C)C(=O)NC Tox21_300802 -NCGC00254432-01 196714207 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -22.396974504 1 -21.396974504 4.9549173134 0.8097097544 0.006507425 -0.15520883 0.72087158 -2.0194751 0.40202661 -1.77655235 2.59489886 0.56165879 -0.72476191 2.56131683 0.34385063 -0.85792305 5.44879648 2.48445464 2.89668955 -16.16414542 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5315-79-7 21387 144210934 A A 1-Hydroxypyrene Oc4ccc1ccc2cccc3ccc4c1c23 Tox21_300617 -NCGC00254138-01 196714212 tox21-ror-cho-viability-p1 set2 -2.1 48.5577336745 -74.7302619735 1.0494612779 -73.6808006956 2.4063783767 0.9956500606 0 1.27271462 0.8211929 0.8110579 0.88656618 0.54712515 3.76235639 2.78486116 0.3159585 0.4686043 -0.54869503 0.95246632 0.70137344 -7.29103548 -28.53647198 -60.74303083 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-79-9 4947 144210380 A A Propyl gallate Oc1cc(cc(O)c1O)C(=O)OCCC Tox21_300060 -NCGC00254764-01 196714217 tox21-ror-cho-viability-p1 set2 4 -0.96574735 1.02162254 -1.06655183 1.85500911 -1.10086161 -0.08635432 -0.97849217 1.27316987 2.36169639 0.44041207 1.73862543 1.72126663 4.02483077 1.40794934 3.45028675 5.2499999999E-10 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 298-04-4 3118 144211178 A Disulfoton CCSCCSP(=S)(OCC)OCC Tox21_300861 -NCGC00090686-07 196713409 tox21-ror-cho-viability-p1 set2 4 -0.40871965 -0.13870972 0.12704008 -1.10971866 2.26527332 0.4370915 1.10395429 -0.17953124 0.86768221 0.62468812 0.25384142 -0.46193156 -0.22227507 3.43911407 0.12370555 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00160647-02 196713393 tox21-ror-cho-viability-p1 set2 4 16.7854920005 -9.4238349159 0 -9.4238349159 2.7202212143 0.7924648308 0.0095458104 -0.17737286 -0.08770745 0.18463884 -2.09154194 -1.34970797 -0.69687284 1.49445279 0.6364481 -0.84960251 1.79309111 -0.17212555 1.69253978 1.17618571 -7.36734369 -8.26986243 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2759-71-9 17693 170466836 A Cypromid O=C(Nc1cc(Cl)c(Cl)cc1)C2CC2 Tox21_111954_1 -NCGC00018249-05 196713399 tox21-ror-cho-viability-p1 set2 4 0.0668242473 -5.4705647079 4 -1.4705647079 1.4787409999 0.6285911769 0.078692918 1.82816327 4.43462776 6.1078739 3.98607192 3.1313085 2.98152655 0.01336976 0.2449893 0.03672459 -0.43773724 -7.47547059 -2.00265998 -0.49450024 0.17004213 -0.56626422 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 452-35-7 3295 170465083 A Ethoxzolamide NS(=O)(=O)c1nc2ccc(cc2s1)OCC Tox21_110848_1 -NCGC00090730-03 196713401 tox21-ror-cho-viability-p1 set2 4 3.66881607 -1.02806223 -1.73081885 3.24515169 3.88233423 -1.147936 -0.64514552 -0.30487864 3.88381778 -1.02017718 3.42584148 -1.20599501 2.43548942 4.04745852 3.48278185 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 464-49-3 159055 170465497 F D-Camphor CC2(C)[C@H]1CC(=O)[C@]2(C)CC1 Tox21_110995_1 -NCGC00256075-01 196710314 tox21-ror-cho-viability-p1 set2 4 0.6113056486 4.361958796 -4.861958796 -0.5 4.9549173134 0.3976335934 0.2763958573 -10.30163233 -3.14302725 1.26316061 -6.45689386 -4.47626733 -1.43986006 -5.72679337 -8.44404198 -0.33505469 -1.20262796 1.00690413 1.03279724 -1.87866978 -1.08907022 -0.18936784 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4748-78-1 20861 144212649 A B 4-Ethylbenzaldehyde CCc1ccc(C=O)cc1 Tox21_302332 -NCGC00255153-01 196710720 tox21-ror-cho-viability-p1 set2 -2.2 61.130564862 -57.5306358056 -4.472976226 -62.0036120316 3.1319983358 0.9440829695 0.0000154723 -9.79073647 -5.85033198 -1.25962355 -4.905714 -5.66947136 -3.52476459 -5.97335151 -7.21782985 -1.62126968 -2.52010947 -8.29427699 0.48460163 -2.69485318 -18.68418189 -49.24516063 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 82640-04-8 54900 144212686 A A Raloxifene hydrochloride Cl.Oc1ccc(cc1)c3sc2cc(O)ccc2c3C(=O)c5ccc(OCCN4CCCCC4)cc5 Tox21_302369 -NCGC00255433-01 196710729 tox21-ror-cho-viability-p1 set2 4 71.8106014702 -14.993626284 0 -14.993626284 3.6772481694 0.8143789295 0.005955428 -1.2288392 1.3549971 -2.20204942 1.2273083 1.12785974 1.04264942 0.92803012 0.57041545 -0.58404046 -0.81438039 0.86209586 -2.66890663 -2.11506682 -1.67937814 -11.24468857 1.226E-9 2.741E-9 6.129E-9 1.37E-8 3.064E-8 6.852E-8 1.532E-7 3.426E-7 7.661E-7 0.000001713 0.00000383 0.0000085649999999 0.000019149999999 0.000042829999999 0.00009576 283594-90-1 9907412 144211550 F F Spiromesifen CC(C)(C)CC(=O)OC2=C(C(=O)OC12CCCC1)c3c(C)cc(C)cc3C Tox21_301233 -NCGC00255580-01 196711129 tox21-ror-cho-viability-p1 set2 4 0.98895978 4.75761724 4.74824904 -0.9466283 4.90528041 -1.98071042 -0.26673671 4.60759133 -0.15414121 1.58525848 -1.91845143 -1.15826043 0.4634935 3.22189179 1.89289884 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24579-73-5 32490 144211530 A A Propamocarb O=C(NCCCN(C)C)OCCC Tox21_301213 -NCGC00256177-01 196711140 tox21-ror-cho-viability-p1 set2 4 2.29563721 10.714703 0.53645419 1.33998967 1.21450107 2.6709391 0.2865947 0.27970491 -0.08976154 3.68307623 0.70316488 0.77392332 0.73820029 0.14334084 4.08035536 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3923-79-3 73539 144211574 A A 4,5-Dihydroxy-1,3-dimethylimidazolidin-2-one CN1C(=O)N(C)C(O)C1O Tox21_301257 -NCGC00255256-01 196711143 tox21-ror-cho-viability-p1 set2 4 3.91304353 -0.16520413 1.44345226 2.24001137 1.32446676 1.48830453 2.5747672 1.52225733 0.31149085 0.09987289 1.94377514 -0.38330458 0.53827718 1.06980073 4.25802435 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3817-11-6 19665 144211580 A A Butyl-N-(4-hydroxybutyl)nitrosamine O=NN(CCCC)CCCCO Tox21_301263 -NCGC00255317-01 196711144 tox21-ror-cho-viability-p1 set2 -2.4 54.4826732819 -32.888200576 2 -30.888200576 2.1876167061 0.9771334705 1.036E-7 1.44109838 3.84980415 3.18368887 -0.31501134 1.69592305 2.4793397 2.2978153 1.11524139 3.25037709 1.11284686 2.91782745 1.48410994 -1.33147748 -9.40223356 -22.82350048 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2871-01-4 3465817 144212733 A A HC Red 3 [O-][N+](=O)c1cc(N)ccc1NCCO Tox21_302416 -NCGC00259259-01 196706592 tox21-ror-cho-viability-p1 set1 4 1.45714389 6.067201 1.06995005 4.5682066 0.60404403 1.14573518 -0.4488586 1.26390761 0.73717258 14.61269148 0.71049738 5.39523322 0.06032938 1.79096647 4.4923747 1.193E-9 2.667E-9 5.963E-9 1.333E-8 2.981E-8 6.6659999999E-8 1.491E-7 3.3329999999E-7 7.4529999999E-7 0.0000016669999999 0.0000037269999999 0.000008333 0.00001863 0.00004167 0.00009317 770-35-4 92839 144208908 A A 1-Phenoxy-2-propanol CC(O)COc1ccccc1 Tox21_201710 -NCGC00259422-01 196706181 tox21-ror-cho-viability-p1 set1 4 0.0475225923 3.5004330239 -2.5004330239 1 4.9549173134 0.3537781175 0.3212110255 -0.18885091 -6.66702752 1.05738178 -1.52117353 -4.88312847 2.44226649 -0.81139075 1.65098565 4.46071329 0 0.79330766 -0.67807865 1.05334724 0.87189522 0.27133123 1.159E-9 2.5929999999E-9 5.797E-9 1.2959999999E-8 2.8989999999E-8 6.481E-8 1.449E-7 3.241E-7 7.246E-7 0.00000162 0.000003623 0.000008102 0.00001812 0.00004051 0.000090579999999 62-56-6 2723790 144209071 Thiourea NC(N)=S Tox21_201873 -NCGC00259713-01 196706579 tox21-ror-cho-viability-p1 set1 4 3.9356592971 14.2513500599 -11.7513500599 2.5 1.826479391 0.7493294294 0.0197180781 -15.53227739 -12.41477758 -13.49998895 -10.67478575 -10.85370644 -7.83859616 -6.91127599 -11.85907028 -11.0876238 -16.87612505 0.67379796 -2.47280562 0.41236394 0.76397711 5.88085366 1.1999999999E-9 2.683E-9 6E-9 1.3419999999E-8 3E-8 6.708E-8 1.5E-7 3.3539999999E-7 7.5E-7 0.000001677 0.0000037499999999 0.000008385 0.00001875 0.00004193 0.00009375 110-43-0 8051 144209362 AC Fns 2-Heptanone CC(=O)CCCCC Tox21_202164 -NCGC00259163-01 196706590 tox21-ror-cho-viability-p1 set1 4 0.4786722607 6.541393248 -7.041393248 -0.5 4.9549173134 0.544852153 0.1563421631 -8.6178257 -6.43317668 -6.74768949 -8.64751428 -4.46886372 -3.48487328 -10.45116104 -8.62582303 3.37260056 0 0.56898605 -8.12341911 1.03886866 1.66873041 -12.03099974 1.166E-9 2.606E-9 5.8279999999E-9 1.303E-8 2.9139999999E-8 6.516E-8 1.457E-7 3.2579999999E-7 7.285E-7 0.000001629 0.0000036419999999 0.0000081449999999 0.00001821 0.000040719999999 0.00009106 151-21-3 3423265 144208812 A A Sodium dodecyl sulfate [Na+].[O-]S(=O)(=O)OCCCCCCCCCCCC Tox21_201614 -NCGC00259041-01 196706598 tox21-ror-cho-viability-p1 set1 4 -2.12319184 5.4039644 1.71605948 7.06014292 0.40900503 0.60873923 0.84792951 2.34383369 -2.0234929 12.29950252 0.10669314 1.00788051 0.96869544 2.16596088 4.34646889 1.2399999999E-9 2.772E-9 6.198E-9 1.386E-8 3.099E-8 6.929E-8 1.549E-7 3.4649999999E-7 7.747E-7 0.0000017319999999 0.000003874 0.000008662 0.00001937 0.00004331 0.00009684 75-86-5 6406 144208688 A Bc 2-Hydroxy-2-methylpropanenitrile N#CC(C)(C)O Tox21_201490 -NCGC00090965-04 196698122 tox21-ror-cho-viability-p1 set1 4 0.43527686 7.20024113 2.13566394 0.61360405 2.08839565 3.48901518 0.53817233 0.23341491 0.21548817 0.27210147 0.17672463 8.81755838 0.57481422 -2.17452361 4.36874138 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00166309-02 196698101 tox21-ror-cho-viability-p1 set1 -2.4 8.4126743008 -22.3573795719 -6.072918196 -28.4302977679 1.826479391 0.9036708649 0.0002679577 -5.08598438 -3.42736187 -2.97743183 -8.77817723 -4.88202144 -10.17287948 -6.71132829 -4.6304112 -9.84230516 -3.16892566 -7.81719824 -8.67047989 -19.78729025 -23.07120754 -28.27524814 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 850-52-2 10041070 170465646 A Altrenogest O=C3C=C4CC[C@@H]2C(C=C[C@@]1(C)[C@H]2CC[C@@]1(O)CC=C)=C4CC3 Tox21_113356_1 -NCGC00095304-05 196698099 tox21-ror-cho-viability-p1 set1 4 0.95272001 2.21091088 2.21080754 -0.35504625 -0.63040959 0.54029024 1.38429331 0.31114631 -4.58575261 0.53675683 -0.39327336 -1.21201355 0.30574542 1.25575942 -3.97028769 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67-45-8 5323714 170464641 F Furazolidone [O-][N+](=O)c2oc(/C=N/N1CCOC1=O)cc2 Tox21_111502_1 -NCGC00182982-01 196698112 tox21-ror-cho-viability-p1 set1 4 2.05900933 -0.66101566 2.28872828 -6.88818565 1.26987727 0.72233093 2.22556826 -1.64227121 -2.2954501 -0.83558066 2.35848675 -1.10227978 -5.28397263 3.48668596 -4.57829047 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 120958-90-9 129319 144206834 A A Dalcotidine CCNC(=O)NCCCOc2cc(CN1CCCCC1)ccc2 Tox21_113283 -NCGC00183858-01 196698519 tox21-ror-cho-viability-p1 set1 4 -5.29695869 0.81528788 -7.73523486 0.96616444 0.0913166 -9.63400309 -9.7166737 -3.94561127 -7.33021892 -8.29109703 -2.80811583 -2.07213598 -1.44442773 -0.27866103 -5.78153472 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 132810-10-7 125564 144206818 A A Blonanserin CCN1CCN(CC1)c3cc(c2ccc(F)cc2)c4CCCCCCc4n3 Tox21_113267 -NCGC00254480-01 196698931 tox21-ror-cho-viability-p1 set1 4 0.38616735 -0.16223651 -2.12738806 1.08717982 0.21679001 -2.37813258 -1.91278702 1.71116607 1.06131046 0.37177765 0.35443265 -1.95941565 -3.27265288 -1.81912044 -5.0700763 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 162706-14-1 9926621 144210787 A A UK-156819 O=C(O)CCCCn2c1ccccc1c(c2C)c3cccnc3 Tox21_300469 -NCGC00254115-01 196698940 tox21-ror-cho-viability-p1 set1 4 8.6349217992 5.5608660159 -1.0608660159 4.5 3.5117481694 0.3535346865 0.3358192016 0.69744787 -6.30072168 0.08304808 0.68437941 -1.82023515 -1.31599734 1.55476843 0.6046925 1.75090841 -5.44880042 0.56090363 0.28757513 6.74311054 2.44495659 0.58137857 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-59-1 6544 144210370 A A Isophorone O=C1C=C(C)CC(C)(C)C1 Tox21_300050 -NCGC00259219-01 196721008 tox21-ror-cho-viability-p1 set3 4 3.9199219119 18.9411033279 -8.9411033279 10 0.2 0.4889635269 0.2064801037 -2.39564409 -9.95091944 -7.15348119 -4.54872252 1.18588373 -3.61709847 -4.22399959 -0.28237428 -1.01770074 1.24136812 -1.36789619 0.19737401 -2.18931011 7.47087833 -4.16368883 1.196E-9 2.6729999999E-9 5.978E-9 1.337E-8 2.989E-8 6.684E-8 1.494E-7 3.3419999999E-7 7.4719999999E-7 0.000001671 0.000003736 0.0000083539999999 0.000018679999999 0.00004177 0.000093409999999 107-87-9 7895 144208868 FNS 2-Pentanone CC(=O)CCC Tox21_201670 -NCGC00254155-01 196720600 tox21-ror-cho-viability-p1 set3 4 0.0216899429 -11.906655208 13 1.093344792 0.5 0.3676131306 0.3034986191 8.63202464 11.90399057 9.62053024 2.82366713 15.73934863 5.20229039 0.29432546 0.78261031 1.29013948 -0.73237971 7.20346461 9.33395198 -1.58887934 1.63084222 -0.75618663 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 72-55-9 3035 144210429 A A p,p'-DDE Clc1ccc(cc1)\C(=C(/Cl)Cl)c2ccc(Cl)cc2 Tox21_300109 -NCGC00091468-02 196720603 tox21-ror-cho-viability-p1 set3 4 -0.19492144 0.62903714 1.17331878 -0.76209719 0.97749065 -0.84763741 1.65520148 -0.37159811 -1.3784326 1.249062 2.63531748 -0.21189501 0.62185264 2.19625732 -0.3592664 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00254685-01 196720608 tox21-ror-cho-viability-p1 set3 -2.2 25.3105741622 -72.3350620112 -0.999934594 -73.3349966052 1.5094870999 0.9678986753 7.126E-7 1.83153264 4.44253033 -1.92850977 2.29864775 -2.21592518 -7.45858299 -0.48873191 -1.91469798 -0.33527418 0.00136471 -5.25023914 -8.43709249 -13.99650974 -33.56225507 -55.55681561 6.229E-10 1.3929999999E-9 3.1139999999E-9 6.9639999999E-9 1.557E-8 3.482E-8 7.786E-8 1.741E-7 3.8929999999E-7 8.705E-7 0.000001947 0.000004353 0.000009733 0.00002176 0.000048659999999 14233-37-5 61719 144211098 A A 1,4-Bis(N-isopropylamino)anthraquinone CC(C)Nc3ccc(NC(C)C)c2c3C(=O)c1ccccc1C2=O Tox21_300781 -NCGC00258949-01 196721401 tox21-ror-cho-viability-p1 set3 4 31.0121236216 11.81262888 -4.81262888 7 4.9549173134 0.7942161612 0.0090724359 -4.38831498 0.06095062 -4.63443049 -3.69826113 -5.00218221 -7.3438574 -6.78260214 -7.17063195 -5.68547808 -2.71943782 -6.46714654 -5.87266892 -5.06387322 4.9989924 6.47797877 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.331E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 556-67-2 11169 144208596 AC Octamethylcyclotetrasiloxane C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 Tox21_201398 -NCGC00258771-01 196730378 tox21-ror-cho-viability-p1 set3 4 0.01713225 -1.42687785 1.25863464 -2.92347851 2.08956126 -0.09314618 -0.00740772 -5.78560462 -7.64362203 -0.34549517 -2.14974207 -0.22967704 -0.25022494 -2.82751957 1.02190553 1.203E-9 2.69E-9 6.015E-9 1.345E-8 3.0079999999E-8 6.725E-8 1.504E-7 3.3629999999E-7 7.519E-7 0.0000016809999999 0.0000037599999999 0.000008407 0.0000188 0.00004203 0.000093989999999 1009-61-6 13888 144208417 A A 1,1-(1,4-Phenylene)bis-ethanone O=C(C)c1ccc(cc1)C(C)=O Tox21_201219 -NCGC00257800-01 196730388 tox21-ror-cho-viability-p1 set3 4 0.0085734894 -8.1356923559 8 -0.1356923559 4.9549173134 0.6913879814 0.0425424429 6.18829625 8.43443823 9.2593787 -1.7298158 1.08558046 -2.51551417 -2.31979784 0.41682023 3.60665726 1.53879969 -2.28887046 -1.41146684 -3.02974363 2.54240574 1.53736221 1.173E-9 2.624E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.000003667 0.0000081989999999 0.00001833 0.00004099 0.000091659999999 7791-18-6 643991 144207444 Magnesium chloride hexahydrate O.O.O.O.O.O.Cl[Mg]Cl Tox21_200246 -NCGC00259440-01 196705926 tox21-ror-cho-viability-p1 set1 -2.2 60.7577547203 -39.571475508 -4 -43.571475508 2.4063783767 0.720374038 0.0296041562 -3.69650141 -1.66372314 -11.84433072 -3.34490854 -4.44510557 -2.35140673 -6.51887073 -7.20079077 -8.45390291 -13.31319109 0.98114506 -9.28737052 0.13258197 -16.55646918 -32.97622959 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.00009175 135-88-6 8679 144209089 A A N-Phenyl-2-naphthylamine c1cc3ccccc3cc1Nc2ccccc2 Tox21_201891 -NCGC00017325-06 196705518 tox21-ror-cho-viability-p1 set1 4 0.76368039 -0.91910531 -0.95669572 0.36142241 -0.79105139 2.11105173 1.82000504 2.04588273 0.77031656 0.01512852 2.07526483 0.57913154 0.14996122 1.01675661 2.05371478 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 501-30-4 3840 170466814 F Kojic acid O=C1C=C(CO)OC=C1O Tox21_110814_1 -NCGC00247724-01 196705530 tox21-ror-cho-viability-p1 set1 4 -1.84896987 -1.30793992 -2.54295466 1.68548249 -1.00990142 -0.51380325 -1.19323986 1.54010035 -0.29811785 2.28890569 -0.39045055 -1.3825669 -1.45633006 2.52386291 0.20913587 1.157E-9 2.587E-9 5.784E-9 1.293E-8 2.892E-8 6.466E-8 1.446E-7 3.2329999999E-7 7.229E-7 0.000001617 0.000003615 0.000008083 0.000018069999999 0.000040409999999 0.00009037 487-93-4 10257 144206443 Z Z Bufotenine CN(C)CCc2cnc1ccc(O)cc12 Tox21_112890 -NCGC00258801-01 196705924 tox21-ror-cho-viability-p1 set1 -3 69.7071642489 -66.7130932306 -1.289217178 -68.0023104086 4.9549173134 0.953949714 0.0000053529 -0.24768396 -0.64038731 -1.73434164 -5.97804984 -1.49440029 -1.52980527 0.54357995 -1.1435588 -2.24189924 0 -4.25884723 -6.06610229 -2.59403584 1.93795717 -55.95421461 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.0000016719999999 0.0000037379999999 0.000008358 0.00001869 0.00004179 0.00009344 753-73-1 12955 144208447 B Dimethyltin dichloride C[Sn](C)(Cl)Cl Tox21_201249 -NCGC00259648-01 196705935 tox21-ror-cho-viability-p1 set1 4 -2.70400934 -1.91604417 -2.49357237 -1.49552179 -0.32167297 -2.33255789 1.6204883 -1.06142069 -15.19322141 -3.76310193 -4.58282247 -1.4166249 -1.89336812 -6.43616785 -11.11018089 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 10081-67-1 82343 144209297 A A 4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline CC(C)(c1ccccc1)c2ccc(cc2)Nc3ccc(cc3)C(C)(C)c4ccccc4 Tox21_202099 -NCGC00244579-01 196705936 tox21-ror-cho-viability-p1 set1 -2.2 54.4826732819 -68.5365454555 2.559485576 -65.9770598795 2.8472712143 0.9758790875 1.398E-7 4.60053612 2.21839025 1.93538282 -1.39336579 4.87352315 1.08871647 -2.1286284 5.37467164 5.41857645 4.13432548 -0.36797561 2.63097177 0.40552056 -18.65595456 -53.39171203 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00259467-01 196706341 tox21-ror-cho-viability-p1 set1 4 -12.6691075 -2.33463599 -11.67441983 -5.08229189 -11.62773922 -2.68481412 -3.5934649 -2.19438476 -3.16604826 -13.97875326 6.15204826 -4.67439764 0.68847792 -5.58211941 -1.9553136 1.21E-9 2.707E-9 6.052E-9 1.353E-8 3.0259999999E-8 6.766E-8 1.5129999999E-7 3.3829999999E-7 7.5649999999E-7 0.0000016919999999 0.000003782 0.000008458 0.00001891 0.000042289999999 0.00009456 110-15-6 1110 144209116 A A Butanedioic acid O=C(O)CCC(=O)O Tox21_201918 -NCGC00258627-01 196715908 tox21-ror-cho-viability-p1 set2 4 3.79863537 0.39813382 1.55331482 3.37235991 1.99097868 2.78588238 0.04811714 2.42170287 0.61494939 3.0400022 3.11572802 1.88705284 0.22204746 1.58324264 3.75671866 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9569999999E-8 6.613E-8 1.479E-7 3.306E-7 7.394E-7 0.0000016529999999 0.000003697 0.000008266 0.00001848 0.00004133 0.00009242 132-20-7 25150753 144208272 A A Pheniramine maleate [O-]C(=O)/C=C\C([O-])=O.C[NH+](C)CCC(c1ccccc1)c2[nH+]cccc2 Tox21_201074 -NCGC00258418-01 196716275 tox21-ror-cho-viability-p1 set2 4 3.07050758 1.57355596 0.78469669 -0.92925633 3.1387641 1.5065865 -2.31728048 -2.32127435 2.95988819 -0.33118782 -2.85109467 0.58216317 -3.03860214 -0.75756779 -1.63044592 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.952E-8 6.6E-8 1.476E-7 3.3E-7 7.379E-7 0.0000016499999999 0.00000369 0.0000082499999999 0.000018449999999 0.00004125 0.000092239999999 5970-45-6 2724192 144208062 A B Zinc(II) acetate dihydrate O.[Zn+2].O.[O-]C(C)=O.[O-]C(C)=O Tox21_200864 -NCGC00258136-01 196716285 tox21-ror-cho-viability-p1 set2 4 -1.30035884 0.28009728 2.44058922 1.53986251 1.44697054 10.88654634 0.72893006 -0.37833252 1.83798634 3.11060435 0.87758545 3.65000795 1.12259263 2.80884322 2.69176223 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.397E-7 0.0000016539999999 0.0000036989999999 0.0000082699999999 0.000018489999999 0.00004135 0.00009247 405514-94-5 44630019 144207780 A A Tributylmethylammonium bis(trifluoromethylsulfonyl)imde FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.CCCC[N+](C)(CCCC)CCCC Tox21_200582 -NCGC00247727-01 196716692 tox21-ror-cho-viability-p1 set2 4 0.10581915 2.88038553 -2.29725857 0.16260294 -0.23250697 -0.36383098 -4.23859125 0.82993082 -1.26052749 1.23597888 -0.77692661 2.10897526 -0.78274204 -3.32349357 3.9075906 1.167E-9 2.609E-9 5.8339999999E-9 1.304E-8 2.917E-8 6.522E-8 1.458E-7 3.261E-7 7.2919999999E-7 0.000001631 0.000003646 0.000008153 0.00001823 0.000040759999999 0.00009115 7558-73-8 24721009 144206446 A A N,N-Dipropyltryptamine hydrochloride Cl.CCCN(CCC)CCc2cnc1ccccc12 Tox21_112893 -NCGC00258153-01 196715885 tox21-ror-cho-viability-p1 set2 4 -0.96865312 -1.17675426 0.15375672 -0.36427181 -1.01311679 -1.43353056 0.26552832 -2.95081704 -2.69654328 -1.81376012 -0.72057118 0.51018723 0.56858474 -2.90700908 1.95979996 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.000091989999999 827027-25-8 53260965 144207797 FNS Choline bis(trifluoromethylsulfonyl)imde FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C[N+](C)(C)CCO Tox21_200599 -NCGC00258304-01 196715888 tox21-ror-cho-viability-p1 set2 -1.1 7.672409166 -95.0572994708 1.6862417949 -93.3710576759 1.752947691 0.974269113 2.022E-7 1.51587588 2.25741368 3.70170305 1.94646918 3.29027557 -0.37456813 3.01929272 1.58246805 2.43460691 -7.54039047 -26.50991823 -34.37414603 -89.435879 -87.96342184 -87.46429604 1.177E-9 2.6319999999E-9 5.8849999999E-9 1.316E-8 2.942E-8 6.579E-8 1.471E-7 3.29E-7 7.356E-7 0.000001645 0.0000036779999999 0.000008224 0.00001839 0.000041119999999 0.00009195 374683-44-0 16212610 144207948 A A Trihexyltetradecylphosphonium hexafluorophosphate F[P-](F)(F)(F)(F)F.CCCCCC[P+](CCCCCCCCCCCCCC)(CCCCCC)CCCCCC Tox21_200750 -NCGC00258477-01 196715897 tox21-ror-cho-viability-p1 set2 4 -0.30842829 -2.81060234 -4.59605942 -6.0095145 -1.43341312 0.47003634 -2.61572868 -4.55799298 -2.97054915 -1.56400305 -2.60509715 -0.36205415 -3.39995199 -0.07796822 0.84981519 1.185E-9 2.651E-9 5.927E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3129999999E-7 7.409E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009261 71133-14-7 114809 144208121 Bromodichloroacetic acid BrC(Cl)(Cl)C(=O)O Tox21_200923 -NCGC00258710-01 196716305 tox21-ror-cho-viability-p1 set2 4 1.0804426422 -21.2602432279 4.5 -16.7602432279 1.826479391 0.9713008015 3.785E-7 7.12890396 5.11011889 1.61279142 4.69657916 3.47228775 4.67712051 1.83321357 1.69577975 -0.00201156 -11.44749851 -16.45243502 -14.97698167 -17.29112107 -17.30020269 -15.08512454 1.1739999999E-9 2.626E-9 5.871E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.282E-7 7.339E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.000091739999999 66-81-9 6197 144208356 A A Cycloheximide O=C2CC(C[C@@H](O)[C@@H]1C[C@@H](C)C[C@H](C)C1=O)CC(=O)N2 Tox21_201158 -NCGC00258201-01 196716314 tox21-ror-cho-viability-p1 set2 4 0.020854478 4.549745936 -5.049745936 -0.5 4.9549173134 0.4686695256 0.2098456633 0.43051289 -9.62478828 -4.5828726 -6.64898153 0.24575962 -0.37201243 -2.95435545 -1.53424852 -0.26643883 0.9088801 -1.51649321 0.52634565 -0.61769599 0.41210158 0.67984689 1.142E-9 2.5539999999E-9 5.7099999999E-9 1.277E-8 2.8549999999E-8 6.384E-8 1.4269999999E-7 3.1919999999E-7 7.1369999999E-7 0.000001596 0.0000035689999999 0.00000798 0.00001784 0.000039899999999 0.000089219999999 1758-73-2 61274 144207845 F Amino(imino)methanesulfinic acid N=C(N)S(=O)O Tox21_200647 -NCGC00258624-01 196716318 tox21-ror-cho-viability-p1 set2 4 3.34082577 0.43379377 3.56333894 2.04389345 1.40816577 6.87325077 -0.20455227 3.84729172 2.59973262 4.50165622 4.05244711 -0.85751929 -1.47607582 -2.0548518 3.50046569 1.1989999999E-9 2.68E-9 5.9929999999E-9 1.34E-8 2.9969999999E-8 6.701E-8 1.4979999999E-7 3.35E-7 7.492E-7 0.000001675 0.000003746 0.0000083759999999 0.00001873 0.00004188 0.00009365 123-38-6 527 144208269 FNS Propanal CCC=O Tox21_201071 -NCGC00263559-01 196716717 tox21-ror-cho-viability-p1 set2 4 1.39011676 -0.56902665 2.49407043 4.3734026 5.42521356 1.5504692 -0.15149804 3.58843131 5.96445777 5.83601416 7.0102002 5.98600785 4.0013421 2.01128481 4.92241108 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2387-59-9 1080 170465800 F Carbocysteine OC(=O)C(N)CSCC(O)=O Tox21_111658_1 -NCGC00015004-13 196716730 tox21-ror-cho-viability-p1 set2 4 -1.27799351 -5.06978184 -1.1240875 0.3000639 -2.61387017 1.00280963 -0.44616729 -5.3128078 -6.07744046 -1.82444453 -0.73008447 -3.07854378 -2.18296376 -1.67505236 -0.00358983 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14028-44-5 2170 170465376 A Amoxapine Clc1ccc2Oc4ccccc4N=C(c2c1)N3CCNCC3 Tox21_110064_1 -NCGC00159453-05 196712802 tox21-ror-cho-viability-p1 set2 4 5.48290578 2.66678068 4.88696421 5.93636254 5.01501142 4.85653924 3.22342433 1.89549498 3.89719811 3.13073986 2.24934557 5.41338788 6.54637734 6.33697177 -0.82776645 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 111406-87-2 60490 170465222 A Zileuton NC(=O)N(O)C(C)c1cc2ccccc2s1 Tox21_111680_1 -NCGC00260481-01 196712380 tox21-ror-cho-viability-p1 set2 4 4.58633621 -0.89010709 -1.00250464 -0.03327775 0.18370823 2.14629314 1.55403614 0.00863656 4.02276239 1.30684775 2.04873462 -0.06401109 4.44427029 3.97072999 3.10493482 1.182E-9 2.6429999999E-9 5.91E-9 1.322E-8 2.955E-8 6.608E-8 1.4779999999E-7 3.304E-7 7.388E-7 0.0000016519999999 0.0000036939999999 0.0000082599999999 0.000018469999999 0.000041299999999 0.00009235 59-49-4 6043 144210133 A A 2-Benzoxazolinone O=C1Nc2ccccc2O1 Tox21_202935 -NCGC00357006-01 196712382 tox21-ror-cho-viability-p1 set2 4 0.5828907593 -4.01080118 -3.73129274 -6.14766995 -12.96542301 -5.29359791 -53.34100938 -13.18282629 -7.79043454 -24.98576549 0 -4.47794241 -11.42825645 -43.56817444 -12.21356256 -13.64775476 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 10147-40-7 66280 251919797 F Dodecane-1-sulfonyl chloride ClS(=O)(=O)CCCCCCCCCCCC Tox21_303760 -NCGC00357167-01 196712392 tox21-ror-cho-viability-p1 set2 4 19.3311819617 -11.0646725719 5 -6.0646725719 4.9549173134 0.8439791699 0.0027314087 2.57626132 4.03321958 4.93159802 5.16458552 6.98535136 3.8524086 7.61791455 7.08457338 6.70409426 4.12698929 2.27254302 6.10859786 -0.19369647 -7.55389381 -4.4800582 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-87-9 8492 251919654 A 2-Chloro-4-nitroaniline Nc1ccc(cc1Cl)[N+]([O-])=O Tox21_303921 -NCGC00256364-01 196708244 tox21-ror-cho-viability-p1 set1 4 -11.08729628 -5.04916284 0.5071452 2.17990742 -3.17305381 -2.09420844 0.53225359 -12.04312567 -4.76873466 -8.83222873 -4.60494358 0.07117768 -4.69341777 -3.2972248 3.22134928 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-76-5 1480 144213199 A A 2,4,5-Trichlorophenoxyacetic acid Clc1cc(OCC(=O)O)c(Cl)cc1Cl Tox21_302882 -NCGC00091163-03 196707842 tox21-ror-cho-viability-p1 set1 4 2.07857304 -1.2108962 -1.3730324 -1.31686044 2.41488913 2.0994187 3.84549372 0.20942983 -1.13684311 -1.12463164 -1.31770457 1.20906494 0.31974071 1.55531562 3.20215162 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00257275-01 196708238 tox21-ror-cho-viability-p1 set1 4 -7.89962818 -11.9056121 -14.99219586 -13.07311674 -5.35248516 -17.10113175 -11.48054955 -17.73256356 -17.92344858 -14.79753166 -11.08144185 -22.4127859 -17.85482088 -10.52255536 -17.19892507 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 128-37-0 31404 144213719 A A Butylated hydroxytoluene CC(C)(C)c1cc(C)cc(c1O)C(C)(C)C Tox21_303408 -NCGC00257147-01 196708242 tox21-ror-cho-viability-p1 set1 4 9.48977449 2.92038508 3.9944979 7.44633099 4.40920844 7.50223137 -4.5227619 2.19972613 7.58914263 6.81972542 9.06651912 -1.11878488 -1.24466545 3.95069095 3.28257462 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3724-65-0 19499 144213525 Z Z 2-Butenoic acid CC=CC(=O)O Tox21_303208 -NCGC00256319-01 196708256 tox21-ror-cho-viability-p1 set1 4 -0.86436582 -0.98875757 -0.88281522 1.27707698 -2.15899702 0.91970869 7.56573795 -1.56102994 0.60138278 -0.95862725 -0.9905653 -0.15820823 -1.57354375 -0.97282023 -5.37976206 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 612-82-8 108938 144213115 A B 3,3'-Dimethylbenzidine dihydrochloride Cl.Cl.Cc1cc(ccc1N)c2ccc(N)c(C)c2 Tox21_302798 -NCGC00257508-01 196708260 tox21-ror-cho-viability-p1 set1 4 -0.20245572 1.73009586 -1.52710744 -2.35353414 -0.27408428 -4.12602263 0.52300263 0.14409764 1.59310219 5.60609249 1.27993009 -5.85427967 -2.11965424 2.88483011 2.04177015 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 26472-00-4 3437714 144213804 F F Methylcyclopentadiene dimer CC=2CC3C1C=C(C)C(C1)C3C=2 Tox21_303496 -NCGC00256436-01 196708261 tox21-ror-cho-viability-p1 set1 4 -0.84764511 -7.51495405 2.63949214 -1.13877115 0.52184532 0.76105219 -2.30035841 2.63964638 -15.04140129 -12.88200475 -19.63672735 -10.49046853 1.78335808 2.59741998 2.35476408 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58-15-1 6009 144213147 A A 4-Dimethylaminoantipyrine CN(C)C=2C(=O)N(c1ccccc1)N(C)C=2C Tox21_302830 -NCGC00256874-01 196708262 tox21-ror-cho-viability-p1 set1 4 5.53402847 1.73200917 4.82175337 1.47632351 0.17935541 -1.65091573 5.44862315 3.40883639 6.05923115 5.78985126 1.59154794 2.06856322 -0.11284173 1.82495861 1.10750072 1.912E-9 4.276E-9 9.5619999999E-9 2.138E-8 4.7809999999E-8 1.0689999999E-7 2.3899999999E-7 5.3449999999E-7 0.000001195 0.000002673 0.000005976 0.000013359999999 0.00002988 0.00006681 0.0001494 NOCAS_47708 10470544 144212848 F F Igepal CO-890 CC(C)CCCCCCc1ccc(OCCOCCO)cc1 Tox21_302531 -NCGC00258967-01 196708669 tox21-ror-cho-viability-p1 set2 4 -3.47192782 -0.95014999 -0.1668755 -0.02717634 -0.11299131 1.79910039 3.56378976 0.57747037 0.93278906 -0.94881914 0.19350634 0.42520195 3.33238124 2.75052181 2.6466606 1.258E-9 2.812E-9 6.288E-9 1.4059999999E-8 3.144E-8 7.03E-8 1.572E-7 3.5149999999E-7 7.86E-7 0.000001758 0.00000393 0.000008788 0.000019649999999 0.000043939999999 0.000098249999999 1124-64-7 2734171 144208614 Z Z N-Butylpyridinium chloride [Cl-].CCCC[n+]1ccccc1 Tox21_201416 -NCGC00259389-01 196709072 tox21-ror-cho-viability-p1 set2 4 2.14681303 -1.74955348 3.13082651 2.70747471 2.29973686 1.70805184 2.25287034 1.71684287 2.11751075 -0.0765045 -0.66446958 4.41400856 4.35309769 5.7610201 0.47052537 1.1779999999E-9 2.635E-9 5.891E-9 1.3169999999E-8 2.945E-8 6.586E-8 1.4729999999E-7 3.2929999999E-7 7.364E-7 0.0000016469999999 0.0000036819999999 0.000008233 0.000018409999999 0.000041159999999 0.000092049999999 41317-15-1 162461 144209038 F 4-Methoxy-2-methyl-N-phenylaniline COc2cc(C)c(Nc1ccccc1)cc2 Tox21_201840 -NCGC00259364-01 196722219 tox21-ror-cho-viability-p1 set3 4 34.3762428541 11.5776342399 -5.5776342399 6 1.111 0.6192008014 0.0846772509 -6.75081196 -8.8146952 -7.41609622 -2.23514509 -1.53241382 -6.13896121 -5.95682861 -5.76215649 -5.0815717 -4.50635065 -5.33040675 -0.40548877 -5.05700586 1.58632175 3.98432982 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 3778-73-2 3690 144209013 A A Ifosfamide O=P1(NCCCl)OCCCN1CCCl Tox21_201815 -NCGC00091284-03 196699781 tox21-ror-cho-viability-p1 set1 4 -0.73566889 0.0552345 -1.53531917 0.55911235 0.79475449 -5.20232769 -3.52693117 -2.77156907 -1.31222937 -1.18570576 -0.85134473 0.36296825 -1.01630634 1.05385717 0.25034994 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00259488-01 196721818 tox21-ror-cho-viability-p1 set3 4 34.8662461756 18.89860684 -9.89860684 9 3.6772481694 0.6392670243 0.0706391159 -9.53301051 -5.70798698 -2.45183114 -6.60592719 -15.45331291 -11.92446871 -8.1933212 -12.42049518 -10.38308939 -5.2432248 -18.6655057 -11.90573893 -5.75115725 1.93967647 8.86182422 1.194E-9 2.67E-9 5.9709999999E-9 1.335E-8 2.986E-8 6.676E-8 1.493E-7 3.338E-7 7.464E-7 0.000001669 0.000003732 0.000008345 0.00001866 0.00004172 0.000093299999999 528-44-9 10708 144209137 A A 1,2,4-Benzenetricarboxylic acid OC(=O)c1cc(ccc1C(=O)O)C(=O)O Tox21_201939 -NCGC00259653-01 196721821 tox21-ror-cho-viability-p1 set3 4 -5.27487977 -6.8409275 -5.69572286 -4.07785072 -3.52818915 -7.46171838 -2.30510929 -5.7147002 -5.18978447 -0.28408532 -5.52524132 -8.09535564 -4.48730425 -2.02500707 -1.07723524 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9569999999E-8 6.613E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003697 0.000008266 0.00001848 0.00004133 0.000092409999999 24800-44-0 22833317 144209302 I A Tripropylene glycol OC(OC(C)COC(O)CC)CC Tox21_202104 -NCGC00259733-01 196722212 tox21-ror-cho-viability-p1 set3 4 49.5470150129 13.6983874799 -8.6983874799 5 2.8472712143 0.4506322756 0.2245293537 -12.9436602 -7.08395788 -7.18219669 -2.57126432 -4.08368048 -7.68936582 -10.04279503 -11.79341702 -9.25163786 -16.4153229 -4.98315939 -10.98488423 -7.30223016 -3.58593798 2.90171416 1.1999999999E-9 2.684E-9 6.002E-9 1.3419999999E-8 3.0009999999E-8 6.711E-8 1.501E-7 3.355E-7 7.5029999999E-7 0.0000016779999999 0.0000037519999999 0.0000083889999999 0.00001876 0.000041939999999 0.00009379 79277-27-3 73674 144209382 C C Thifensulfuron-methyl O=S(=O)(NC(=O)Nc1nc(C)nc(OC)n1)c2ccsc2C(=O)OC Tox21_202184 -NCGC00253616-01 196722616 tox21-ror-cho-viability-p1 set3 4 -3.25499505 0.20892354 -0.34546404 2.97061838 -2.73654207 -0.02081317 -0.10591342 -0.41622022 -3.43035333 -2.30819982 12.07288437 -0.6301587 13.11208113 -4.06513959 5.74535972 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33045-52-2 118390 170466762 A F Methyl 5-sulfamoyl-o-anisate O=S(N)(=O)c1cc(c(OC)cc1)C(=O)OC Tox21_113746 -NCGC00090986-03 196722623 tox21-ror-cho-viability-p1 set3 4 10.9370859936 10.0946851639 -5.0946851639 5 2.4063783767 0.5203897257 0.1608478224 -5.91475783 -7.3345085 -5.44450395 -1.00711268 -5.64813218 -6.60840498 -5.45448641 -7.65205378 -3.16033646 -1.76184419 -3.58993659 -7.99557097 12.37543353 3.83459455 0.7532856 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00091044-02 196723030 tox21-ror-cho-viability-p1 set3 4 73.2952603626 29.778731476 0.221268524 30 4.9549173134 0.6071716047 0.0917732247 6.92626157 0.51990329 -3.35649696 -0.96921364 -0.15328072 2.89217873 -1.78042446 -0.85818574 5.59416846 5.80848055 -10.23227623 1.95848625 5.40267983 -5.60216486 24.35811342 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00163169-05 196723032 tox21-ror-cho-viability-p1 set3 4 -11.0971658 -3.13348308 -0.13884397 -1.30467753 -8.16362354 0 0 -1.97974797 -2.27183972 -6.9144583 -1.08154731 -7.16881907 -10.60375491 -6.14316143 -5.67302076 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15574-96-6 27400 170466311 A Pizotifen CN1CC/C(CC1)=C3\c4ccccc4CCc2sccc23 Tox21_112024_1 -NCGC00253696-01 196723046 tox21-ror-cho-viability-p1 set3 4 -1.08852508 -2.7772289 -0.52239588 0.30309552 -0.24581808 0.23180386 0.12479643 -0.23841712 -1.74340766 -3.02416711 -8.95043258 -4.78920631 -6.08400065 -0.35324559 -0.53677755 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84-19-5 5805243 170466708 A A Dienestrol diacetate O=C(C)Oc1ccc(cc1)/C(=C\C)C(=C\C)\c2ccc(OC(C)=O)cc2 Tox21_113818 -NCGC00164631-05 196723447 tox21-ror-cho-viability-p1 set3 4 -1.62629321 -1.28528242 -0.44109581 -1.81689277 -1.1252216 -3.94783812 -1.05093494 -4.10176647 -2.55133414 -9.51339391 -5.30684278 -7.35587642 -4.4990489 3.75718982 1.80717455 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 341031-54-7 60196290 170465289 A Sunitinib malate O=C(O)C(O)CC(=O)O.CCN(CC)CCNC(=O)C1C(C)=C(N=C1C)/C=C2/c3cc(F)ccc3NC2=O Tox21_112249_1 -NCGC00178145-03 196723456 tox21-ror-cho-viability-p1 set3 4 1.333319023 -6.1601129599 -1.5 -7.6601129599 0.7999999999 0.4994872056 0.1993824137 -2.06964271 -2.02416076 -2.02948361 -2.23044351 -3.14780445 2.13065594 -3.48348445 -2.13542776 -1.29016148 -4.89981927 -4.68694571 -6.9503586 -9.7167608 -3.27699112 8.36359366 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63-56-9 6136 170465519 A Thonzylamine hydrochloride Cl.COc1ccc(cc1)CN(CCN(C)C)c2ncccn2 Tox21_111387_1 -NCGC00091902-08 196707595 tox21-ror-cho-viability-p1 set1 4 5.17665496 1.41069827 -0.42966985 0.28239571 2.15020525 2.55299581 10.24058234 1.26982431 4.33600621 3.55492551 0.19199154 2.10842415 3.11209072 -0.61891935 -0.665119 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00256719-01 196707188 tox21-ror-cho-viability-p1 set1 4 27.3060203028 13.233244628 -8.233244628 5 3.5117481694 0.4665172809 0.2090682498 -0.22368978 -7.78129735 -8.79867324 -8.28526841 -11.33122145 -2.61213861 -2.46503609 -7.45702566 -14.56487849 -16.86103719 -10.95646968 -4.48913963 -7.44417569 3.70168658 4.31865507 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 304-20-1 9351 144212813 A A Hydralazine hydrochloride Cl.NNc2nncc1ccccc12 Tox21_302496 -NCGC00256352-01 196707590 tox21-ror-cho-viability-p1 set1 4 21.6899429044 27.949154792 -7.949154792 20 0.3 0.6186511683 0.0840030447 -10.2139272 -11.62429566 0.18611026 0.20454824 0.51605645 -10.0220192 -4.89734328 0.50228872 0.248278 1.86578609 3.16962434 1.15940001 0.94680204 7.41181611 13.47979274 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 61-82-5 1639 144213308 A Ac Amitrole Nc1ncnn1 Tox21_302991 -NCGC00257408-01 196707592 tox21-ror-cho-viability-p1 set1 4 2.40656029 1.33706611 3.37145 3.21504713 -1.68221975 0.60476549 -1.32864309 1.60165205 3.64433822 -1.1860774 2.11986598 3.43285058 2.23556597 0.72423115 5.86969272 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25496-72-4 5319879 144213851 Ac A Glyceryl monooleate OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC Tox21_303545 -NCGC00257255-01 196707597 tox21-ror-cho-viability-p1 set1 4 -1.51937273 -0.65326178 1.77580967 0.3008486 0.18203988 1.63195036 5.06113694 -0.44303003 1.85514507 0.96048416 -4.95291088 1.91705393 1.69787118 2.3438754 6.75595542 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2943-75-1 76262 144213951 F Triethoxyoctylsilane CCO[Si](OCC)(OCC)CCCCCCCC Tox21_303648 -NCGC00090987-03 196707604 tox21-ror-cho-viability-p1 set1 4 0.00477902 -2.70124818 -0.72081419 1.69177165 -0.10293979 2.54868591 -2.8356076 -2.48712379 -3.62799352 -1.63639561 0 -0.75549888 -2.89669397 -0.65785123 5.22387439 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00163953-03 196708005 tox21-ror-cho-viability-p1 set1 -3 72.7253077472 -55.7445995164 2.5150212925 -53.2295782239 4.9549173134 0.9393604468 0.0000239555 -0.86160213 -0.62383425 0.94223718 -3.39206254 1.72958362 -0.02733818 7.05705175 5.07077483 4.05529699 3.5063804 6.40498376 2.78689692 2.96571403 1.55094238 -42.6425224 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.000019359999999 0.00004328 0.000096779999999 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00090686-07 196708006 tox21-ror-cho-viability-p1 set1 4 7.87351713 -2.27061671 2.29432108 0.37575196 2.16912203 0.19371508 -2.95807259 -0.69894908 0.94787161 7.97795335 1.67302176 8.38572294 1.32014174 11.28948563 1.13885586 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00257004-01 196708008 tox21-ror-cho-viability-p1 set1 -1.2 12.1971512362 -58.5526445732 -11.418193112 -69.9708376852 1.4641 0.9187843556 0.0001116034 -12.38524516 -12.21227485 -9.39928444 -9.38893115 -7.67557241 -11.4026193 -12.22607538 -18.37576745 -12.97727107 -19.93099936 -16.13333027 -22.18423907 -60.34569516 -64.75063461 -57.209494 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 138-89-6 8749 144213366 A A N,N-Dimethyl-4-nitrosoaniline CN(C)c1ccc(N=O)cc1 Tox21_303049 -NCGC00356994-01 196703880 tox21-ror-cho-viability-p1 set1 4 9.6885416101 -11.1193003079 -1 -12.1193003079 1.826479391 0.4876861384 0.1896843711 5.43921038 -3.46261787 5.91351006 -1.59705272 -5.89709452 -5.0750905 -0.0171984 -2.29072276 4.74576688 -9.40325727 0.17532484 -4.55132305 -13.01608359 -10.09287961 -11.37730215 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 580-51-8 11381 251919669 A 3-Phenylphenol Oc1cc(ccc1)c2ccccc2 Tox21_303813 -NCGC00357219-01 196703875 tox21-ror-cho-viability-p1 set1 4 3.3491459627 -19.9319287119 0.5 -19.4319287119 1.3987170999 0.7937479575 0.0090471151 0.94121139 5.61999782 -2.34814696 -2.34069714 3.22519439 -0.0768328 -2.99371356 0.72389572 0.05926899 0.29208584 -7.20224095 -13.18329743 -8.68743749 -25.77660726 -15.09003267 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 330-95-0 9507 251919722 Ac Nicarbazin CC1=CC(C)=NC(=O)N1.[O-][N+](=O)c1ccc(cc1)NC(=O)Nc2ccc(cc2)[N+]([O-])=O Tox21_304000 -NCGC00260227-01 196703877 tox21-ror-cho-viability-p1 set1 4 2.20952551 0.02081807 4.77395328 -2.34728321 7.38391689 -4.9409495 1.92526676 -0.22049033 6.58544897 0.32340033 1.05392586 6.7129832 3.49796178 5.61347861 1.432802 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.3529999999E-7 0.0000016439999999 0.0000036769999999 0.000008221 0.000018379999999 0.00004111 0.00009192 26576-85-2 12248306 144209877 A Z 1-Butyl-3-methylpyridinium bromide [Br-].Cc1ccc[n+](CCCC)c1 Tox21_202679 -NCGC00260581-01 196703878 tox21-ror-cho-viability-p1 set1 4 -0.63190949 -0.30568807 -0.59197077 -7.16006483 0.65007296 2.18121517 7.23193288 -1.37856268 2.33970733 -0.27794197 7.40587896 -0.70596792 -0.94837412 -5.19084948 -0.01435335 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49477 144210234 M M NTP Mix41 CT1 3-EQP Tox21_203036 -NCGC00256677-01 196718399 tox21-ror-cho-viability-p1 set2 4 -0.90528635 -4.33083967 -1.41922358 -3.41003801 -1.47736496 -4.38763336 1.44214734 -2.91114499 -6.81551657 0.43547046 1.30239467 -0.70634499 -4.67163675 -4.21145396 -1.27772804 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 23495-12-7 31954 144213035 A Ac Phenoxyethyl propionate CCC(=O)OCCOc1ccccc1 Tox21_302718 -NCGC00257403-01 196718392 tox21-ror-cho-viability-p1 set2 4 1.78813216 -1.76972951 3.9529273 3.83122236 2.0801583 5.78325891 3.45189956 6.93170184 3.6921067 1.12733116 3.86595183 8.10177316 2.16715463 3.84568307 3.24416233 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1490-04-6 1254 144213774 A A Menthol CC(C)C1CCC(C)CC1O Tox21_303464 -NCGC00257218-01 196718393 tox21-ror-cho-viability-p1 set2 4 -2.68920865 -1.9789083 0.47225274 -1.60393265 -1.19764819 -2.83487168 -3.12310385 -0.74373966 -0.20939916 0.24520533 -1.46275793 -3.05223571 1.26345975 -1.08995052 0.15708061 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 328-84-7 9481 144213406 F Fns 1,2-Dichloro-4-(trifluoromethyl)benzene Clc1ccc(cc1Cl)C(F)(F)F Tox21_303089 -NCGC00257146-01 196718397 tox21-ror-cho-viability-p1 set2 4 0.24677589 1.53073258 0.110319 1.99273615 -1.10295348 5.26212598 1.28238503 6.3694116 5.53070019 3.25928608 6.99522245 6.74375993 2.66312504 4.97175074 7.75944745 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 125-33-7 4909 144213511 A A Primidone CCC1(C(=O)NCNC1=O)c2ccccc2 Tox21_303194 -NCGC00256502-01 196718403 tox21-ror-cho-viability-p1 set2 4 -2.53023058 2.36935512 3.32860695 1.01535543 2.01670438 -2.45971616 4.18886646 0.3000451 2.81887025 4.78447326 1.49491396 2.5659453 3.61240367 1.98259813 -0.71568037 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 105-53-3 7761 144213248 Z A Diethyl propanedioate O=C(CC(=O)OCC)OCC Tox21_302931 -NCGC00256353-01 196718807 tox21-ror-cho-viability-p1 set2 4 30.6378586933 -14.678653864 -2 -16.678653864 2.4063783767 0.7062556199 0.0356812416 -4.68632826 -3.90488262 -2.74161764 0.39678018 -9.09796157 -3.02717556 -3.70315426 -1.91426256 -3.3091706 -2.38977221 -1.20824042 -2.71506734 -3.54958896 -13.47669475 -15.14887822 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-07-8 441140 144213322 A A Griseofulvin O=C2c3c(O[C@]12C(=CC(=O)C[C@H]1C)OC)c(Cl)c(OC)cc3OC Tox21_303005 -NCGC00357253-01 196724228 tox21-ror-cho-viability-p1 set3 4 -3.99239712 -1.35971208 -3.89005506 -1.81011769 0.86628417 -1.82375131 1.22171205 -4.37351355 -4.12282872 -3.32700854 -2.28108908 0.54718656 -1.92148128 2.79076996 -9.0388956 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56070-16-7 41718 251919774 F Terbufos sulfone CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C Tox21_304046 -NCGC00091586-02 196710750 tox21-ror-cho-viability-p1 set2 4 5.23439243 -4.53793449 -2.8286516 -2.1645129 -1.96366131 -0.84504562 -1.82680517 -1.58247597 -1.20102583 -4.17968659 -0.32098324 -2.28596721 0.96800116 0.83843551 -0.52528832 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00255539-01 196710342 tox21-ror-cho-viability-p1 set2 4 24.3365162115 -15.187633272 -0.5 -15.687633272 2.09374246 0.9216440605 0.0000941244 -2.9945796 -2.05380309 -2.47460957 -0.5944032 -0.31433615 1.04985292 0.24227355 0.72332155 0.53286175 0.03538299 -0.02514483 -0.33203112 -7.25805776 -10.72139662 -15.15636106 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 41483-43-6 38884 144211744 A A Bupirimate CCNc1nc(C)c(CCCC)c(OS(=O)(=O)N(C)C)n1 Tox21_301427 -NCGC00255753-01 196710746 tox21-ror-cho-viability-p1 set2 4 -5.38621798 -1.14266008 0.17893279 -1.24162939 -5.16397664 0.31300338 -4.49056847 -0.95270252 -1.86416658 0.25608077 -6.83264147 -1.76458033 -3.88561589 -1.68049185 -1.64023173 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 872-10-6 13382 144212271 A Fns Pentyl sulfide CCCCCSCCCCC Tox21_301954 -NCGC00255931-01 196710747 tox21-ror-cho-viability-p1 set2 4 5.05236457 7.05950498 4.27217428 3.71956392 5.12533958 1.82390001 0.19147423 -1.32895683 0.42653589 0.47386204 1.64759008 0.16958413 2.90997673 4.48580544 7.31487685 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 118-88-7 67054 144212582 A A 5-Amino-2-methylbenzenesulfonic acid Cc1ccc(N)cc1S(O)(=O)=O Tox21_302265 -NCGC00255412-01 196710759 tox21-ror-cho-viability-p1 set2 4 0.0000027892 -32.27387105 -19.44405247 -15.34018714 -5.68472901 -1.34043446 0.86540401 -2.18197117 -3.28007061 -2.36662473 0.70232537 -1.52816911 -2.02024292 -0.31966527 2.05618787 -1.3100988 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-71-6 31355 144211561 A B Triisobutyl phosphate CC(C)COP(=O)(OCC(C)C)OCC(C)C Tox21_301244 -NCGC00256196-01 196710351 tox21-ror-cho-viability-p1 set2 4 0.0153553036 -11.1661400439 9 -2.1661400439 0.3 0.6088289591 0.092477459 6.08771486 6.39248826 3.57274881 1.08849424 4.09857646 2.54897803 0.33336224 0.36667052 -0.64529803 1.29594131 -0.09234157 0.92366808 0.22492169 1.71395216 -5.97178337 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3913-81-3 5283345 144212619 F F (2E)-2-Decenal CCCCCCC\C=C\C=O Tox21_302302 -NCGC00090701-06 196709932 tox21-ror-cho-viability-p1 set2 4 3.08805573 -1.10995214 -0.2991929 2.23281364 -0.12819204 -1.95793475 0.74463801 0.75959678 -2.37488371 -1.48348625 -1.33067373 -1.80439433 -0.33391024 1.49641295 -3.31914328 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00256041-01 196709940 tox21-ror-cho-viability-p1 set2 -2.1 48.5577336745 -95.7435441841 -0.2101751179 -95.953719302 1.78848746 0.9634902123 0.00000147 -8.22859177 -3.03917624 -5.86803804 -4.63648404 0.1878978 3.65196383 3.03154247 3.34934414 3.49487819 0.25229886 3.21807295 -0.41467391 -18.52123351 -39.42660913 -73.44978735 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3468-11-9 18980 144211774 F F 1H-Isoindole-1,3(2H)-diimine N=C1NC(=N)c2ccccc12 Tox21_301457 -NCGC00255242-01 196710350 tox21-ror-cho-viability-p1 set2 4 1.19356005 2.68405352 -0.09121982 0.49078403 0.83766933 -0.43249591 -1.84912688 3.23268956 1.43213569 1.67796729 3.05932399 -0.09973411 2.92380972 3.72140807 3.21940266 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 3039-83-6 3270262 144211783 Sodium ethenesulfonate [Na+].[O-]S(=O)(=O)C=C Tox21_301466 -NCGC00091602-02 196710358 tox21-ror-cho-viability-p1 set2 4 -4.31520869 -1.73002017 0.99284412 -8.75146895 -1.16315711 0.5763647 0.10915804 -3.88943361 -0.56330497 -2.00133854 -3.31957039 -1.77670652 -2.49817068 2.02966174 -3.98856139 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00257547-01 196710367 tox21-ror-cho-viability-p1 set2 -2.4 43.2771256911 -25.0720753239 -4 -29.0720753239 1.6266150999 0.7019634732 0.0372705725 -8.84698488 -11.40336489 -8.29957726 0.20569536 -5.64141814 -6.80597244 -1.99138601 -3.61402978 -1.81810477 -1.78494719 -0.66002809 -6.37507621 -11.88303789 -11.42357201 -27.56006277 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7152-80-9 23540 144212508 A A 4-(Dimethylamino)phenylthiocyanate N#CSc1ccc(cc1)N(C)C Tox21_302191 -NCGC00091011-05 196710762 tox21-ror-cho-viability-p1 set2 1.1 27.3060203028 85.7855404585 1.5375378279 87.3230782864 4.0949729863 0.9881098873 2.3E-9 9.40969161 3.32883104 -1.30314235 2.38258159 -1.41743281 -1.13161038 3.93661191 -1.07428529 -2.07314218 -0.34810854 1.57068228 4.96081256 14.87089498 72.97297813 87.67377338 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00253744-01 196698549 tox21-ror-cho-viability-p1 set1 4 -3.43859792 0.24887099 -3.41987254 0.34887224 -5.47749077 -3.1765737 -1.42335817 1.12171531 -5.51099131 1.56301366 -3.45240604 -1.89721617 0.3973806 1.08541089 0.53019318 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 100-36-7 60993 170466702 Z Fc 2-Aminoethyldiethylamine CCN(CC)CCN Tox21_113860 -NCGC00160416-02 196698136 tox21-ror-cho-viability-p1 set1 4 6.6824247267 -18.547668664 -1.5 -20.047668664 1.331 0.8716938425 0.0010932055 -1.08816452 -0.09636092 -0.14816124 -1.04187437 0.02590486 -6.64150583 0.18571645 -6.34021118 0.22187323 -2.62117881 -2.02752638 -9.63714193 -12.28803709 -16.15718801 -18.37305722 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3689-76-7 71821 170466499 A Chlormidazole Clc1ccc(cc1)Cn2c3ccccc3nc2C Tox21_111799_1 -NCGC00163843-03 196698139 tox21-ror-cho-viability-p1 set1 4 1.23347818 -0.41865532 2.45666353 1.28666293 -1.43547441 -1.74647667 -2.07316085 -1.90683756 0.94047382 2.07349153 6.37496075 2.76751568 1.22114673 -0.89241064 3.21050987 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00016831-06 196698543 tox21-ror-cho-viability-p1 set1 4 2.36348962 3.46483757 2.22365354 -0.3823107 0.66522925 1.45066949 6.43494689 1.70078818 1.18390749 1.17440943 -0.30193593 -0.78363494 1.40262676 -0.00999598 2.01214173 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35543-24-9 6420013 170466459 A Buflomedil hydrochloride Cl.COc2cc(OC)cc(OC)c2C(=O)CCCN1CCCC1 Tox21_110636_1 -NCGC00259356-01 196722229 tox21-ror-cho-viability-p1 set3 4 -6.2873712 -4.64722777 -4.82057446 0.37773905 -5.10882029 -5.96488135 -4.7005381 -7.05030163 -6.61115313 -0.58589531 -2.59538579 -3.86151549 -4.32983575 -2.35381966 -1.70975716 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.968E-8 6.6359999999E-8 1.484E-7 3.318E-7 7.4189999999E-7 0.000001659 0.0000037099999999 0.000008295 0.00001855 0.000041479999999 0.00009274 116-53-0 8314 144209005 A A 2-Methylbutanoic acid CC(CC)C(=O)O Tox21_201807 -NCGC00259882-01 196721831 tox21-ror-cho-viability-p1 set3 1.4 32.9499609094 24.3284820759 -3.8284820759 20.5 4.9549173134 0.9357498439 0.0000327371 -4.38802518 -5.81002994 -2.67470053 2.06230624 -2.88345363 -5.71756009 -4.90348094 -6.94040173 -3.69001638 -1.75157158 -4.88692236 -3.94229006 -1.08577554 17.69867771 20.23443966 1.3799999999E-9 3.085E-9 6.8989999999E-9 1.543E-8 3.45E-8 7.714E-8 1.725E-7 3.8569999999E-7 8.624E-7 0.000001928 0.000004312 0.0000096419999999 0.000021559999999 0.00004821 0.00010779999999 69655-05-6 50599 144209531 A A 2',3'-Dideoxyinosine O=C3NC=Nc2c3ncn2[C@H]1CC[C@@H](CO)O1 Tox21_202333 -NCGC00259231-01 196721836 tox21-ror-cho-viability-p1 set3 4 27.7509219265 7.1515274359 -2.6515274359 4.5 4.9549173134 0.3931040618 0.2804221263 -4.98564863 -2.35306134 -0.09931528 4.89065704 -5.08985429 -3.33493371 -5.17455421 -5.54293953 -3.04072389 -0.13041795 -5.34392133 1.03849747 -3.12810378 5.2365027 3.55821955 1.196E-9 2.6749999999E-9 5.982E-9 1.338E-8 2.9909999999E-8 6.6879999999E-8 1.496E-7 3.344E-7 7.478E-7 0.0000016719999999 0.0000037389999999 0.00000836 0.00001869 0.000041799999999 0.00009347 103-85-5 676454 144208880 F 1-Phenyl-2-thiourea S=C(N)Nc1ccccc1 Tox21_201682 -NCGC00259958-01 196721843 tox21-ror-cho-viability-p1 set3 4 -8.8039097 -6.70137946 -3.94806162 0.09846502 -4.9142651 -7.49748854 -4.42719654 -8.44135399 -5.0749358 -2.48195038 -5.75324411 -4.7005577 -4.95167396 -4.98357737 -4.37136269 1.171E-9 2.6189999999E-9 5.856E-9 1.3089999999E-8 2.9279999999E-8 6.547E-8 1.464E-7 3.274E-7 7.3199999999E-7 0.000001637 0.00000366 0.0000081839999999 0.0000183 0.00004092 0.0000915 536-33-4 2761171 144209607 A A Ethionamide CCc1cc(ccn1)C(N)=S Tox21_202409 -NCGC00259217-01 196722237 tox21-ror-cho-viability-p1 set3 4 1.9488559026 29.475950116 -11.975950116 17.5 0.2 0.6128041994 0.0880328859 -13.72995843 -0.79068486 -5.6286081 -5.02769264 2.43163357 0.24020496 1.00939512 -1.20595285 -0.56768686 -0.31496417 3.1657079 6.24098069 -1.42603678 9.41811194 12.52743524 1.188E-9 2.657E-9 5.942E-9 1.3289999999E-8 2.971E-8 6.6429999999E-8 1.4849999999E-7 3.3219999999E-7 7.427E-7 0.0000016609999999 0.000003714 0.000008304 0.00001857 0.00004152 0.00009284 553-26-4 11107 144208866 A A 4,4'-Bipyridine c1cc(ccn1)c2ccncc2 Tox21_201668 -NCGC00258895-01 196722242 tox21-ror-cho-viability-p1 set3 4 0.020139969 6.7275708439 -7.7275708439 -1 4.9549173134 0.3259150191 0.3586297126 0.11640464 -13.93964237 -7.4857011 -9.30583317 0.74037007 2.04667097 0.42505939 0.01329897 -2.49496689 -9.15234654 2.24571965 4.25142773 -6.45385946 0.05169457 -12.72040399 1.221E-9 2.7309999999E-9 6.106E-9 1.365E-8 3.053E-8 6.8269999999E-8 1.526E-7 3.4129999999E-7 7.632E-7 0.000001707 0.0000038159999999 0.000008533 0.000019079999999 0.00004267 0.00009541 100-70-9 7522 144208541 A A 2-Pyridinecarbonitrile N#Cc1ccccn1 Tox21_201343 -NCGC00259475-01 196722246 tox21-ror-cho-viability-p1 set3 4 25.1057368164 12.574050688 -9.074050688 3.5 4.9549173134 0.6680183161 0.0541311062 -9.78187492 -8.2750274 -3.95372577 -6.28477299 -8.73683464 -13.25682459 -14.05275998 -14.64504224 -9.10819822 -5.44673211 -6.87911773 -10.79629683 -6.40112811 2.87082686 3.22090597 1.211E-9 2.7079999999E-9 6.056E-9 1.3539999999E-8 3.028E-8 6.771E-8 1.514E-7 3.385E-7 7.57E-7 0.000001693 0.0000037849999999 0.0000084629999999 0.00001892 0.00004232 0.00009462 62-44-2 4754 144209124 A A Phenacetin CCOc1ccc(cc1)NC(C)=O Tox21_201926 -NCGC00090770-09 196722656 tox21-ror-cho-viability-p1 set3 4 2.52381084 2.54784081 -23.26951163 1.60674053 -1.47134369 0 -4.35627144 -2.27655428 5.7472937 6.48720761 4.78337513 0.94077926 -2.47625711 3.36834653 2.30410635 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-14-3 6035 170465870 A 5-Bromo-2'-deoxyuridine BrC1=CN(C(=O)NC1=O)[C@H]2C[C@H](O)[C@@H](CO)O2 Tox21_111016_1 -NCGC00249613-02 196722657 tox21-ror-cho-viability-p1 set3 -1.1 0.6682424727 -75.5075365194 2.6988548194 -72.8086817 0.8999999999 0.9763993952 1.232E-7 0.18553434 -2.36963225 3.38871051 5.76566886 -0.37383554 4.03388084 -5.71983081 -24.37026904 -20.64087009 -39.22087168 -44.39993684 -65.32873143 -68.55605433 -70.25723475 -67.92505211 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 868540-17-4 11556711 170466878 A Carfilzomib C[C@@]1(CO1)C(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc3ccccc3)NC(=O)CN4CCOCC4)CC(C)C Tox21_113079_1 -NCGC00090885-03 196709672 tox21-ror-cho-viability-p1 set2 4 61.130564862 -18.900304036 2 -16.900304036 2.6384283767 0.7596986738 0.0168946816 7.13082105 -1.6405673 1.02996175 3.54939216 1.47839406 3.09845423 2.45671778 0.72134699 3.81030461 0.87714823 3.72651382 1.53752912 -1.85043159 -1.79820691 -12.41692003 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00259184-01 196709261 tox21-ror-cho-viability-p1 set2 4 78.2127246844 -13.573133248 0.5 -13.073133248 4.9549173134 0.7452851935 0.0215186325 0.64037565 1.36063862 -0.15556866 1.56194005 -4.23126013 1.52847574 1.05110453 1.25007151 0.1024617 1.15877569 1.9351233 0.69825982 -0.49961608 -0.18814972 -9.22761104 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.000001671 0.0000037379999999 0.000008357 0.00001869 0.00004179 0.00009344 72-56-0 6295 144208833 A Ac p,p'-Ethyl-DDD ClC(Cl)C(c1ccc(CC)cc1)c2ccc(cc2)CC Tox21_201635 -NCGC00090942-03 196709263 tox21-ror-cho-viability-p1 set2 -2.1 61.130564862 -88.1017874519 0.6640208779 -87.437766574 4.0449729863 0.9846814773 1.01E-8 2.73359748 0.26279609 0.16373532 -3.46211455 -3.23889162 2.0738985 -0.19127448 -3.18914004 2.67890126 4.92208927 2.36702465 0.01390193 -0.12202893 -14.34374008 -73.43770195 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00258934-01 196709269 tox21-ror-cho-viability-p1 set2 4 2.56760844 -2.89343051 -4.50643078 -3.62341386 -1.23728996 1.73277521 -4.39763799 0.06528999 -0.5618142 -1.50642894 2.64961554 0.07298176 -1.10081621 1.88792182 -1.24945592 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.000092909999999 1843-05-6 15797 144208581 A A Octabenzone O=C(c1ccc(cc1O)OCCCCCCCC)c2ccccc2 Tox21_201383 -NCGC00253567-01 196705127 tox21-ror-cho-viability-p1 set1 4 0.0008412674 -10.4102765119 7 -3.4102765119 4.0949729863 0.5185120365 0.1810461834 5.08267774 -1.92321554 -2.99124438 -0.30981091 -3.89288327 -4.06140397 -0.13290487 -7.00856376 -4.80115756 -5.62779497 -6.73845057 -3.11658181 -3.32725647 0.12689738 5.33842875 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 115-44-6 8275 170465408 A A Talbutal O=C1NC(=O)NC(=O)C1(CC=C)C(C)CC Tox21_113715 -NCGC00161601-02 196704713 tox21-ror-cho-viability-p1 set1 4 0.65727997 0.8401815 0.26457386 -1.78641199 0.28918014 11.61756848 0.5802424 -3.07934646 0.19696245 3.6559572 1.09518151 1.33682938 3.7952549 0.906104 2.31296528 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 49627-27-2 5352624 170466724 A Sulindac sulfide CSc1ccc(cc1)/C=C3\c2ccc(F)cc2C(CC(=O)O)=C3C Tox21_113636_1 -NCGC00167510-02 196705121 tox21-ror-cho-viability-p1 set1 4 0.0892377 0.26296286 0.27828931 1.10716549 -0.06092836 -0.48597246 -0.01781179 -1.08536252 3.79284256 0.91407195 0.97571887 0.38685069 1.06461423 1.08162102 1.07132185 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 148016-81-3 73303 170465085 F Doripenem O[C@H](C)[C@H]3C(=O)N2C(=C(S[C@H]1C[C@@H](CNS(N)(=O)=O)NC1)[C@H](C)[C@@H]23)C(=O)O Tox21_112508_1 -NCGC00186658-01 196705126 tox21-ror-cho-viability-p1 set1 4 4.9815976 8.22584464 0.82117892 1.15234553 3.87056962 3.67843717 2.09306159 8.40875262 0 0.69112823 1.70965178 0.38502735 2.06686923 4.21017036 4.27154198 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 81-13-0 131204 170464647 A Dexpanthenol CC(C)(CO)[C@@H](O)C(=O)NCCCO Tox21_111563_1 -NCGC00253761-01 196705129 tox21-ror-cho-viability-p1 set1 4 0.26603212 -4.420182744 1 -3.420182744 4.9549173134 0.3877698962 0.3030390474 -0.94395163 3.42631457 -1.15087508 -1.86267546 0.27812266 0.75615575 1.30582549 4.90426727 -5.37784382 -4.24168175 -4.78708119 -6.18348562 1.80216038 -1.72526183 5.63678785 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68576-86-3 50222 170466221 A Ac Enciprazine OC(CN1CCN(CC1)c2ccccc2OC)COc3cc(OC)c(OC)c(OC)c3 Tox21_113874 -NCGC00167539-03 196705134 tox21-ror-cho-viability-p1 set1 4 53.080386368 11.57645848 1.42354152 13 0.4 0.3403781313 0.3329019225 1.14594658 1.24460615 -1.3137154 2.95307154 1.80809908 9.37009094 2.47232358 1.49230166 0.89784171 0.07751898 5.4070791 5.3526486 3.77986937 7.24648525 7.34443965 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 120-72-9 798 170465733 F Indole c1cccc2nccc12 Tox21_112536_1 -NCGC00253650-01 196705138 tox21-ror-cho-viability-p1 set1 -1.1 10.5909294584 -91.3825042093 1.1297511849 -90.2527530244 2.0437424601 0.9975748281 0 1.94625784 0.74733038 2.3790107 2.37836786 0.20805704 0.45108236 3.71872824 1.99740064 -0.26794225 0.28423651 -4.20502266 -10.92848073 -36.91891124 -73.27670651 -84.98375991 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7724-76-7 24405 170466472 A A Riboprine C/C(C)=C\CNc3ncnc1c3ncn1[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O Tox21_113776 -NCGC00253616-01 196705140 tox21-ror-cho-viability-p1 set1 4 11.8832183006 6.5509233239 -1.5509233239 5 4.9549173134 0.4740388251 0.2043259904 0.67206365 -2.95747808 -1.25037225 -3.0751443 -0.59957769 -4.33718407 0.45592842 -1.1531183 0.80861904 0.7266791 0.73829738 -7.95910277 -0.39796653 5.86903712 4.2996788 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33045-52-2 118390 170466762 A F Methyl 5-sulfamoyl-o-anisate O=S(N)(=O)c1cc(c(OC)cc1)C(=O)OC Tox21_113746 -NCGC00091902-08 196705534 tox21-ror-cho-viability-p1 set1 4 0.49641754 6.62597896 0.89534822 2.3597426 1.48104907 2.41162587 0.4411168 2.29599205 0.87486388 -0.04109403 1.33307255 0.18375018 0.93104968 1.31164061 3.2567021 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00024452-04 196725071 tox21-ror-cho-viability-p1 set3 4 0.0029849295 -22.240017108 10 -12.240017108 4.9549173134 0.7743520889 0.0130318199 5.87326152 13.52902467 0 -14.48890511 -9.31271138 -10.36466873 -12.26935709 -11.49325797 0 -17.28334759 -14.38140145 -13.82652057 -17.02705288 -14.55589972 -12.72989658 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72599-27-0 51634 170464950 Z Miglustat OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCC Tox21_110830_1 -NCGC00094960-06 196697445 tox21-ror-cho-viability-p1 set1 4 0.34256458 5.18848922 8.56587418 0.42245748 3.0292011 0.20268418 0.41318015 3.14659942 -0.22657388 1.71672413 3.8784551 0.90833871 0.47023666 0.89887015 -0.50864835 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 84-65-1 6780 170466833 F Anthraquinone O=C2c1ccccc1C(=O)c3ccccc23 Tox21_111369_1 -NCGC00260083-01 196724647 tox21-ror-cho-viability-p1 set3 4 0.0007473407 13.952356384 -10.452356384 3.5 4.5044702849 0.6669902038 0.0553538226 -7.04363032 2.43053934 2.89810668 1.16767913 7.24325847 0.66519095 5.33620276 5.79299488 4.33241832 2.55950804 4.02788476 2.1175697 1.85420304 3.2997358 6.80098682 5.883E-10 1.315E-9 2.941E-9 6.577E-9 1.471E-8 3.289E-8 7.353E-8 1.644E-7 3.677E-7 8.221E-7 0.000001838 0.0000041109999999 0.000009192 0.00002055 0.00004596 7789-38-0 23668195 144209732 Sodium bromate [Na+].[O-]Br(=O)=O Tox21_202534 -NCGC00260039-01 196724657 tox21-ror-cho-viability-p1 set3 4 0.0018055664 12.57351806 -9.07351806 3.5 3.2974983358 0.4521575277 0.2239388985 -6.31126505 1.08997608 2.54591457 5.48233475 8.81279563 7.09591129 -0.67931962 2.98704862 0.41551329 4.68059856 7.7446697 0.1575911 2.08297439 0.61193344 4.19373695 1.227E-9 2.7439999999E-9 6.1349999999E-9 1.3719999999E-8 3.068E-8 6.859E-8 1.534E-7 3.43E-7 7.669E-7 0.000001715 0.000003834 0.000008574 0.00001917 0.000042869999999 0.00009586 13319-75-0 61591 144209688 Boron trifluoride dihydrate O.O.FB(F)F Tox21_202490 -NCGC00090965-04 196724658 tox21-ror-cho-viability-p1 set3 4 1.9331181962 -13.4978859039 8.5 -4.9978859039 3.2974983358 0.6275514285 0.0779790107 -5.60182058 7.86708812 8.40768596 8.95768675 10.42706139 13.09010339 12.22393463 13.13667428 8.64998108 2.72517993 -3.14080098 -5.65700314 1.98572975 -6.72502905 -10.41490492 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00090858-02 196725077 tox21-ror-cho-viability-p1 set3 4 1.71068979 5.83941162 -0.3012934 5.79365836 -5.18510632 5.6956863 -1.68826591 1.76176818 10.05732684 -3.54450836 4.4712613 -1.01225225 6.24231146 1.07380046 1.27527263 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00093350-05 196725080 tox21-ror-cho-viability-p1 set3 4 6.82287894 3.40781075 6.43396912 -6.09432966 12.07358136 -0.86396292 -2.02179631 17.18272229 6.72096033 11.58997237 7.14751206 -5.81284082 -0.26230954 1.47767685 5.27511736 5.899E-12 1.319E-11 2.949E-11 6.595E-11 1.475E-10 3.2969999999E-10 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 37517-28-5 37768 170465345 F Amikacin NCC[C@H](O)C(=O)N[C@@H]3C[C@H](N)[C@@H](O[C@H]1O[C@H](CN)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H]3O[C@H]2O[C@H](CO)[C@@H](O)[C@H](N)[C@H]2O Tox21_111201_1 -NCGC00015735-11 196725486 tox21-ror-cho-viability-p1 set3 -1.1 1.635346279 -75.6843460206 -3.501272193 -79.1856182136 2.1210667061 0.99026387 7E-10 -7.93040754 1.13714951 -4.07436633 -4.60157306 -6.86002084 0.7301163 -7.01853816 -0.79855993 -4.01880316 -9.11629644 -21.31451745 -47.46844197 -74.82782021 -78.87557242 -75.92073628 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 50-65-7 4477 170465184 Bc Niclosamide Clc2cc(ccc2NC(=O)c1cc(Cl)ccc1O)[N+]([O-])=O Tox21_110209_1 -NCGC00164556-02 196725489 tox21-ror-cho-viability-p1 set3 4 0.011577365 13.243815644 0.756184356 14 0.9999999999 0.4562528924 0.2183031634 4.0773351 0.65545335 -3.11984637 10.66484496 2.36925026 5.94578096 16.79202582 15.51689396 4.1902819 9.28606516 13.69498433 25.07619408 11.10381296 8.91655798 17.47170703 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 13189-98-5 134669 170465764 Z Fudosteine OCCCSC[C@H](N)C(=O)O Tox21_112185_1 -NCGC00181340-02 196725496 tox21-ror-cho-viability-p1 set3 4 0.118832183 5.844747612 0.155252388 6 4.9549173134 0.6035649606 0.0956446237 0.63516903 3.12805275 -1.12062301 -0.58792833 -0.21103639 1.7061635 -0.40636784 5.33246368 9.02443783 8.97347069 4.06340234 4.5795714 7.75617983 1.0752874 4.90001199 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27589-33-9 2273 170465933 A Azosemide NS(=O)(=O)c2cc(c(NCc1cccs1)cc2Cl)c3nnnn3 Tox21_112799_1 -NCGC00164624-02 196725497 tox21-ror-cho-viability-p1 set3 -2.4 23.7101376556 -39.97866342 0.5 -39.47866342 1.24751 0.8742835807 0.0009877749 0 -8.28944888 0.30487196 0.52770551 3.57863409 3.27165088 3.97438323 3.28585828 -0.97989879 1.02024743 -4.0532183 -4.10587099 -9.06861865 -14.67294037 -29.56555285 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 142340-99-6 60871 170464742 A Adefovir dipivoxil CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)COCCn2cnc1c(N)ncnc12 Tox21_112243_1 -NCGC00163906-02 196725894 tox21-ror-cho-viability-p1 set3 4 -2.49970733 -2.25890157 -1.02711632 5.02350481 0.96974746 7.63201611 6.8515536 13.61222867 18.17978662 -0.53272359 7.66390241 10.71550864 1.21576347 -1.51321412 -0.4332289 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00357265-01 196711601 tox21-ror-cho-viability-p1 set2 4 0.1933118196 -10.9293560479 -1 -11.9293560479 4.9549173134 0.3861926973 0.2847293785 1.22530479 1.89007027 -12.38642407 0.60800352 1.93949896 -1.40496233 -0.9095556 -18.07038001 -11.43503479 -13.05465493 -22.44113004 -0.99210548 1.20322817 -15.18538992 -14.06630958 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 115-18-4 8257 251919814 A 2-Methyl-3-buten-2-ol C=CC(C)(C)O Tox21_303823 -NCGC00260441-01 196711190 tox21-ror-cho-viability-p1 set2 4 4.407052069 13.5 2 15.5 0.3 0.6100484158 0.1051355152 4.58650381 5.39336684 0.37797277 2.75922318 7.44286669 4.42793982 5.83638513 4.75741382 8.54514073 9.85330256 4.74665591 8.88573045 10.7575928 11.76103055 -11.1226487 1.198E-9 2.679E-9 5.991E-9 1.34E-8 2.995E-8 6.698E-8 1.4979999999E-7 3.3489999999E-7 7.4889999999E-7 0.000001675 0.000003744 0.000008373 0.000018719999999 0.000041859999999 0.000093609999999 101-70-2 7571 144210093 A B 4,4'-Dimethoxydiphenylamine COc2ccc(Nc1ccc(OC)cc1)cc2 Tox21_202895 -NCGC00091210-02 196711196 tox21-ror-cho-viability-p1 set2 -2.4 30.6378586933 -20.318880176 -0.5 -20.818880176 4.9549173134 0.9562939546 0.0000040406 -2.31249802 -1.854046 0.52779657 -1.62712068 0.33663596 -0.69320449 0.06989474 -0.56189291 1.51440913 0.15235116 -3.83253874 -0.90411561 -0.84923984 -17.39818741 -20.26573348 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00260197-01 196711598 tox21-ror-cho-viability-p1 set2 4 -2.21917225 -1.75221368 6.71141251 -2.27884615 -2.6112843 -2.22329908 -0.07493144 -1.31721492 -0.31808306 2.46751386 -0.34634672 0.45557545 -21.66802858 0.11461334 -6.5712611 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.0000036909999999 0.000008252 0.000018449999999 0.000041259999999 0.00009226 382150-50-7 10411334 144209847 A A 1-Hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C[n+]1ccn(CCCCCC)c1 Tox21_202649 -NCGC00260226-01 196711609 tox21-ror-cho-viability-p1 set2 4 -3.66714647 -12.74917567 -3.64081762 -5.31401326 -0.0402669 -11.16521073 -0.78496814 -6.65553514 -3.82350466 -2.63766739 -1.70546065 0 0 -15.12567734 -12.94772864 1.193E-9 2.6689999999E-9 5.967E-9 1.3339999999E-8 2.9839999999E-8 6.672E-8 1.4919999999E-7 3.3359999999E-7 7.4589999999E-7 0.000001668 0.00000373 0.00000834 0.00001865 0.0000417 0.00009324 NOCAS_49389 60196391 144209876 A A 1-Butyl-2-methylpyridinium hexafluorophosphate Cc1cccc[n+]1CCCC.F[P-](F)(F)(F)(F)F Tox21_202678 -NCGC00357175-01 196711610 tox21-ror-cho-viability-p1 set2 -2.2 28.8536253436 -61.7033271698 1.2195458939 -60.4837812759 3.6772481694 0.9491145735 0.0000092575 -0.47679415 0.89426814 3.8101213 1.80738126 -1.05596286 3.21569011 0.30547225 1.43893553 4.48472333 4.18536491 1.04353883 2.10459646 -10.17428093 -12.87092613 -53.31981773 6.312E-10 1.4109999999E-9 3.156E-9 7.056E-9 1.578E-8 3.5279999999E-8 7.889E-8 1.764E-7 3.945E-7 8.821E-7 0.000001972 0.00000441 0.000009862 0.00002205 0.00004931 82-44-0 6709 251919953 F 1-Chloroanthraquinone O=C3c1ccccc1C(=O)c2c3cccc2Cl Tox21_303937 -NCGC00260534-01 196711611 tox21-ror-cho-viability-p1 set2 4 -7.73318313 -3.78445918 -8.24597798 -8.79737341 -7.18537474 -3.08475658 -3.18396012 -4.61608907 1.67408524 -3.2422623 -11.30620127 0 -2.58393222 -4.33402518 -11.18865818 1.213E-9 2.713E-9 6.067E-9 1.357E-8 3.034E-8 6.7829999999E-8 1.517E-7 3.3919999999E-7 7.5839999999E-7 0.000001696 0.0000037919999999 0.000008479 0.00001896 0.000042399999999 0.000094799999999 98-29-3 7381 144210187 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_202989 -NCGC00357124-01 196712013 tox21-ror-cho-viability-p1 set2 4 -0.8153176 -0.36346208 0.97901103 0.28407028 2.38921496 1.40340318 -5.83475225 -0.70527525 -5.1161663 1.43771161 0.793701 1.10800966 -23.43654926 0.32445588 0.00896526 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-89-2 60985 251919977 F Citronellyl isobutyrate C\C(C)=C\CCC(C)CCOC(=O)C(C)C Tox21_303859 -NCGC00357216-01 196712018 tox21-ror-cho-viability-p1 set2 4 68.5896218971 15.694658376 1.305341624 17 1.0999999999 0.6557859938 0.0616146403 -0.42548504 3.49315363 1.45657638 -1.55306723 -1.82888198 3.49377339 -0.20235107 3.16799492 1.97108037 2.2286365 1.02190911 2.2960338 5.78020685 3.21937148 12.70837526 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24683-00-9 32594 251919890 A 2-Isobutyl-3-methoxypyrazine COc1nccnc1CC(C)C Tox21_303996 -NCGC00260069-01 196712025 tox21-ror-cho-viability-p1 set2 4 31.8334347746 -27.5189880919 6 -21.5189880919 4.0949729863 0.8203513968 0.0050501893 2.38877098 2.13052222 0.89682716 6.93343615 4.84007018 6.13561656 6.02244892 11.7191645 10.32787183 7.40865024 8.43707974 5.95265755 5.90298869 1.07294296 -17.51582341 6.2239999999E-10 1.392E-9 3.112E-9 6.959E-9 1.556E-8 3.479E-8 7.78E-8 1.7399999999E-7 3.89E-7 8.6989999999E-7 0.000001945 0.000004349 0.000009725 0.00002175 0.00004863 107-35-7 1123 144209718 F l-Taurine NCCS(=O)(=O)O Tox21_202520 -NCGC00260555-01 196712026 tox21-ror-cho-viability-p1 set2 4 -7.83800988 -14.29025505 0 -8.33967314 -8.04435111 0 -27.96638645 0 -9.15493907 0 -15.73426889 0 0 -4.05880528 4.93289422 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49451 144210208 M M NTP Mix63 CT1 62-EQP Tox21_203010 -NCGC00260259-01 196712057 tox21-ror-cho-viability-p1 set2 4 2.91352276 -1.3413273 1.52233482 -1.20625256 0.26619309 0 1.01312878 1.68704008 -10.38156829 4.97900585 3.43894234 -0.19566474 -0.04082222 1.0320919 -2.12803228 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.000018429999999 0.0000412 0.000092129999999 NOCAS_49390 60196396 144209909 A A 1-Methyl-1-propylpyrrolidinium trifluoromethanesulfonate C[N+]1(CCC)CCCC1.FC(F)(F)S([O-])(=O)=O Tox21_202711 -NCGC00091830-04 196698153 tox21-ror-cho-viability-p1 set1 4 1.61488558 5.07341271 5.31223095 0.44056783 3.07741414 0.81579823 3.44277337 3.32200811 1.86339606 1.45683404 0.69932335 2.39598938 0.53476088 -0.91461614 -3.80501797 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00015424-11 196697738 tox21-ror-cho-viability-p1 set1 -2.1 33.4914596268 -97.958686073 -4.194191491 -102.152877564 4.9549173134 0.9816035967 2.93E-8 -0.61950154 -2.19762757 -2.88997053 -4.23459821 -4.04299558 -7.11515424 -1.5864359 -0.92719446 -10.71249046 -8.18553669 -2.62256676 -2.87012906 -6.56335476 -13.75349005 -85.12739797 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1841-19-6 3396 170466307 A Fluspirilene Fc1ccc(cc1)C(CCCN2CCC4(CC2)C(=O)NCN4c3ccccc3)c5ccc(F)cc5 Tox21_110142_1 -NCGC00092377-04 196697741 tox21-ror-cho-viability-p1 set1 4 2.01161496 0.60738697 4.36298913 -0.61106444 -0.9786608 5.01844575 2.76733289 2.60486502 1.76959224 1.46334494 -9.33069851 2.64482391 3.02674935 3.50695118 1.07930266 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 105219-56-5 65889 170466052 A Apafant Clc1ccccc1C4=NCc2nnc(C)n2c3sc(cc34)CCC(=O)N5CCOCC5 Tox21_113594_1 -NCGC00090955-06 196697759 tox21-ror-cho-viability-p1 set1 4 1.27910648 0.73765685 -2.72272869 -0.32234691 -3.06918368 1.71276252 0.03139771 -3.47576642 -4.49263806 -4.75546577 2.72411303 1.89752484 -0.18096885 -2.58885906 1.593087 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 101-83-7 7582 170466864 A Dicyclohexylamine C1CCCCC1NC2CCCCC2 Tox21_111044_1 -NCGC00093366-05 196698150 tox21-ror-cho-viability-p1 set1 4 4.15664426 -0.56696655 -0.19320253 -1.24460505 4.01577632 2.59708381 3.88856748 1.60640625 -2.45233411 4.15336529 -2.01965446 1.89495462 -4.75647009 2.66303245 0.02403997 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98-50-0 7389 170465635 Z (4-Aminophenyl)arsonic acid O=[As](O)(O)c1ccc(N)cc1 Tox21_111204_1 -NCGC00092388-05 196698157 tox21-ror-cho-viability-p1 set1 4 1.71968962 0.76899812 -1.95508272 -4.06412423 -0.63659437 -3.31793552 -1.44717226 -3.51422872 -2.22993017 0.88243306 2.10864569 -3.51971021 1.86930684 2.21323677 0.29301456 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 546-06-5 441082 170466139 Ac Conessine CN(C)[C@@H]4CC5=CC[C@@H]1[C@H](CC[C@@]23CN(C)[C@@H](C)[C@H]3CC[C@@H]12)[C@@]5(C)CC4 Tox21_111531_1 -NCGC00160647-02 196698173 tox21-ror-cho-viability-p1 set1 4 13.3331902297 -10.95924254 2 -8.95924254 1.17051 0.6580688736 0.0602796805 2.73309544 -1.91252156 4.46716448 4.19809466 4.23503252 -0.92735357 3.96682716 2.99701017 -1.51278966 0.13062491 1.59505177 0.40973268 -2.42165868 -4.30753927 -7.46603545 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2759-71-9 17693 170466836 A Cypromid O=C(Nc1cc(Cl)c(Cl)cc1)C2CC2 Tox21_111954_1 -NCGC00262968-01 196698568 tox21-ror-cho-viability-p1 set1 4 5.3080386368 -21.592578528 2.5 -19.092578528 0.3 0.7126159492 0.0328772733 2.04983703 3.45561485 -3.42611367 3.84066323 -5.22403573 -1.93774174 -0.77288736 -5.54153963 -2.28289476 -5.8323947 -6.96912409 -6.64184222 -4.56417218 -14.24381544 -12.98840147 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 29608-49-9 6918543 170466171 A A Almitrine dimethanesulfonate CS(=O)(=O)O.CS(=O)(=O)O.Fc1ccc(cc1)C(c2ccc(F)cc2)N3CCN(CC3)c4nc(NCC=C)nc(NCC=C)n4 Tox21_113959 -NCGC00249903-01 196698575 tox21-ror-cho-viability-p1 set1 4 -6.76481993 -0.14897604 -6.9038175 -5.82109606 -5.14271437 -3.87975527 -8.12321402 -7.84903356 -6.14421438 -9.33010224 -4.78273415 -4.68490511 -3.34053564 -10.66023035 -7.20523552 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2265-64-7 16752 170466851 A A Dexamethasone isonicotinate O=C1C=C2CC[C@@H]5[C@@](F)([C@@]2(C)C=C1)[C@@H](O)C[C@@]4(C)[C@H]5C[C@@H](C)[C@]4(O)C(=O)COC(=O)c3ccncc3 Tox21_113679 -NCGC00259234-01 196721870 tox21-ror-cho-viability-p1 set3 4 27.6395842712 7.826203616 -2.326203616 5.5 4.9549173134 0.4182606814 0.2560903258 -4.63299074 -0.9364685 4.50693493 1.94998902 -3.5537433 -4.69829413 -4.85516968 0.00114628 -4.28899861 -0.1194349 -4.07064024 -2.39391912 -3.92860936 7.66108588 3.20413031 1.1919999999E-9 2.6649999999E-9 5.959E-9 1.332E-8 2.98E-8 6.662E-8 1.49E-7 3.331E-7 7.449E-7 0.0000016659999999 0.000003724 0.0000083279999999 0.00001862 0.00004164 0.00009311 58-08-2 2519 144208883 F Caffeine O=C2c1n(C)cnc1N(C)C(=O)N2C Tox21_201685 -NCGC00258998-01 196721857 tox21-ror-cho-viability-p1 set3 4 38.5315576806 11.4687431919 -1.9687431919 9.5 2.7202212143 0.3965809611 0.2759606978 -3.72922073 -4.9363671 -0.06811935 9.17922265 -1.03099777 -4.17185753 -4.29801442 -2.96836041 -2.33695544 -3.76811558 -3.13150455 -0.1731943 -6.22395266 6.76137634 7.53470958 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.9479999999E-8 6.591E-8 1.474E-7 3.295E-7 7.369E-7 0.000001648 0.000003684 0.000008239 0.00001842 0.00004119 0.00009211 15879-93-3 7057995 144208645 A A Chloralose OC[C@@H](O)[C@H]1O[C@@H]2O[C@@H](O[C@@H]2[C@H]1O)C(Cl)(Cl)Cl Tox21_201447 -NCGC00091830-04 196721859 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -70.4990854936 -3.122166376 -73.6212518696 4.9549173134 0.9788151704 6.63E-8 -4.96979079 -0.31765487 0.8079718 -0.75792911 -5.64656953 -4.16165086 -2.46387425 -4.90445984 -3.84518424 -4.38558527 -6.77060576 -1.60180083 -2.15492526 -6.47549554 -60.41369196 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00091088-05 196707216 tox21-ror-cho-viability-p1 set1 4 1.26813511 1.236949 0.13930599 0.4105978 0.04656687 3.2146593 4.2457294 -0.92977695 4.1346847 -1.60781574 3.87337445 4.21281176 3.55001224 6.34842623 3.63555898 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00259159-01 196706387 tox21-ror-cho-viability-p1 set1 4 -11.50864453 -3.61716032 -8.46239762 -6.51944092 -5.97493433 -0.44719533 1.11145387 0.49406913 0.49198984 0 -9.16767205 -7.24031468 0.74513003 -0.11741853 -3.19857629 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 89-57-6 4075 144208808 A F 5-Aminosalicylic acid OC(=O)c1cc(N)ccc1O Tox21_201610 -NCGC00259786-01 196706786 tox21-ror-cho-viability-p1 set1 4 24.6090083597 12.033909544 -3.533909544 8.5 4.9549173134 0.4506551642 0.2418786878 -0.20298295 -6.77068651 -1.17122455 -10.44492462 0.58263291 -3.63113787 -2.22201712 -0.0351812 -5.76957218 0 -3.83959609 -7.04187459 -0.75563371 7.4722649 1.82977275 1.191E-9 2.663E-9 5.954E-9 1.331E-8 2.977E-8 6.657E-8 1.489E-7 3.3289999999E-7 7.4429999999E-7 0.0000016639999999 0.000003721 0.0000083209999999 0.00001861 0.000041609999999 0.00009304 108-42-9 7932 144209435 A A 3-Chloroaniline Nc1cc(Cl)ccc1 Tox21_202237 -NCGC00256734-01 196707200 tox21-ror-cho-viability-p1 set1 4 6.1130564862 7.7366225759 -9.9358829359 -2.19926036 4.9549173134 0.3688714452 0.302406356 -4.70235844 -14.11323578 -13.22427588 -4.57432052 -10.24231226 -0.1660503 -11.05254662 -10.13068876 -11.44390536 -14.05405273 -13.46155586 -0.46754273 -3.21538825 -4.67642278 -2.12728745 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 17351-75-6 3437285 144213037 F Ac 1,4-Bis[(ethenyloxy)methyl]cyclohexane C=COCC1CCC(COC=C)CC1 Tox21_302720 -NCGC00256747-01 196707218 tox21-ror-cho-viability-p1 set1 4 1.7228934059 8.249701592 -7.249701592 1 4.9549173134 0.6034367783 0.0948277734 -3.5958295 -3.43815268 -10.65317096 -5.76508013 -4.72386525 -11.45808466 -8.45866648 -7.84215608 -10.56073179 -3.94519097 1.71960919 1.88014507 4.52862255 -6.11276117 2.86144123 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13380-94-4 96509 144212944 A A Corodane O=C1CC2CC1C3CCCC23 Tox21_302627 -NCGC00256435-01 196707223 tox21-ror-cho-viability-p1 set1 4 -0.36979971 -9.19731861 -5.61659484 -0.58915432 -5.68200162 -0.67263646 1.23784079 -8.26981592 -12.03733109 -7.41623316 2.0185992 -11.42926398 -6.23264344 -12.38973064 -1.35901028 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 298-81-7 4114 144213133 A A 8-Methoxypsoralen COc1c3occc3cc2C=CC(=O)Oc12 Tox21_302816 -NCGC00257217-01 196707614 tox21-ror-cho-viability-p1 set1 4 0.37816179 -1.32759301 -1.41226923 3.67151745 -0.63674147 -0.46094353 -0.26346934 0.65666475 1.15726958 0.02590088 1.14553388 0.59006093 0.06012185 4.01603277 7.18982233 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-14-9 8419 144213391 A A Veratraldehyde COc1cc(ccc1OC)C=O Tox21_303074 -NCGC00257384-01 196707616 tox21-ror-cho-viability-p1 set1 4 4.33867564 -8.75253431 1.71189159 3.49815799 -0.33098385 1.52585292 0.65156204 8.26809021 -2.22919614 3.84022983 5.52517922 2.77655728 2.31772287 0.39923603 6.67089073 2.2209999999E-9 4.966E-9 1.11E-8 2.483E-8 5.552E-8 1.242E-7 2.776E-7 6.208E-7 0.0000013879999999 0.000003104 0.00000694 0.00001552 0.0000347 0.000077599999999 0.0001735 68609-97-2 17163 144213762 B Ac C12-14-Alkyl glycidyl ether CCCCCCCCCCCCOCC1CO1 Tox21_303452 -NCGC00257221-01 196707634 tox21-ror-cho-viability-p1 set1 4 1.67444342 1.13233353 3.98152057 2.18817475 1.04660973 0.45378047 -0.92709989 0.12219553 0.30174755 -0.22307897 2.18763711 3.97971371 1.14658417 1.77828395 -1.57382847 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-90-7 6505 144213445 A A Acetyl tributyl citrate CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC Tox21_303128 -NCGC00257292-01 196707635 tox21-ror-cho-viability-p1 set1 -2.4 34.3762428541 -31.665063792 -11.490897472 -43.155961264 0.4 0.8109813929 0.0062863107 -6.24241456 -16.12319918 -14.86007381 -15.51519128 -12.1116202 -17.39939601 -17.38952835 -15.63427565 -13.09768987 -19.61795533 -20.34169307 -21.83278664 -22.62214102 -29.4827381 -32.62996772 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1083-27-8 14127 144213733 A A Hexylparaben Oc1ccc(cc1)C(=O)OCCCCCC Tox21_303422 -NCGC00253581-01 196704750 tox21-ror-cho-viability-p1 set1 4 -1.8590711 -2.6018338 -3.92059442 -1.83702987 -4.22173055 -2.34327814 -1.8499477 2.3305358 -4.20125702 -0.60919233 -4.26221473 -3.19680636 -4.03955257 0.34356835 -2.86924829 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 85801-02-1 5282183 170466014 F A Indomethacin farnesil Clc1ccc(cc1)C(=O)n3c2ccc(cc2c(CC(=O)OC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C)c3C)OC Tox21_113722 -NCGC00016893-04 196704331 tox21-ror-cho-viability-p1 set1 4 1.93244856 0.14830458 -0.31860794 -7.23056579 -0.06906812 0.48003692 -0.14017316 2.34612736 0.73336433 1.67389135 -0.60846476 0.77749016 -1.89294234 -0.96400538 1.94778088 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60200-06-8 43231 170466229 A Clorsulon Nc1cc(c(cc1S(=O)(N)=O)S(N)(=O)=O)C(/Cl)=C(/Cl)Cl Tox21_110669_1 -NCGC00164583-02 196704736 tox21-ror-cho-viability-p1 set1 4 0.02717065 -1.90646313 2.79168266 -5.91457473 0.98887482 0.1769351 2.21473599 -0.39701341 0.98345079 0.50704186 0.97879134 0.00882051 0.44015309 2.17781248 1.23740865 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 32887-01-7 36273 170465354 A Amdinocillin OC(=O)[C@@H]2N3C(=O)[C@@H](/N=C/N1CCCCCC1)[C@H]3SC2(C)C Tox21_112209_1 -NCGC00256410-01 196726726 tox21-ror-cho-viability-p1 set3 -2.4 9.6885416101 -29.8470944119 0.5 -29.3470944119 2.7202212143 0.9582767378 0.0000082525 -1.29875441 -0.84151605 -0.20778166 1.37460314 1.56756397 0.2003821 1.84834148 1.73170945 1.40670765 -1.04525652 -0.69736872 -7.36090019 -29.45591201 -25.99215914 -12.76341715 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 118-75-2 8371 144213338 F Chloranil ClC=1C(=O)C(Cl)=C(Cl)C(=O)C=1Cl Tox21_303021 -NCGC00182993-01 196726322 tox21-ror-cho-viability-p1 set3 4 -7.90770039 0 0.81561941 -1.01388871 0.43821532 -2.51459592 -4.5599491 -1.52668082 -6.48143097 -6.02264567 -0.00786053 -1.87795903 -6.51585949 -0.57264298 -5.77556923 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103725-47-9 185457 144206816 A A Betiatide O=C(O)CNC(=O)CNC(=O)CNC(=O)CSC(=O)c1ccccc1 Tox21_113265 -NCGC00179532-03 196726331 tox21-ror-cho-viability-p1 set3 4 -2.87970004 -5.95499001 0.18239226 -0.53129171 1.38053632 -0.54429658 -2.7354678 -1.88508186 -6.94898774 -3.71918169 -0.5444115 0.26744406 -2.20632618 -2.66187204 1.31931646 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 96-82-2 7314 170466730 Z Lactobionic acid O=C(O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO Tox21_113353_1 -NCGC00091586-02 196726724 tox21-ror-cho-viability-p1 set3 4 -3.67216631 -0.26362289 -0.46791407 1.71936685 0.06058227 -0.47021795 3.51086632 1.399592 1.38140678 0.34978023 -0.54367037 2.67147422 1.45806637 0.55212312 -4.6955488 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.042E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00256897-01 196726736 tox21-ror-cho-viability-p1 set3 4 2.44153544 0.15240068 -0.24588322 0.14481394 -8.96925383 -8.34519313 -1.42630723 -0.94410013 2.26783012 1.43773632 0.91006911 0.62850124 -2.1728401 1.98305572 2.19399768 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 83834-59-7 5355130 144212893 A A 2-Ethylhexyl trans-4-methoxycinnamate COc1ccc(/C=C/C(=O)OCC(CC)CCCC)cc1 Tox21_302576 -NCGC00256877-01 196726742 tox21-ror-cho-viability-p1 set3 4 -0.6928207 0.19515847 0.23593568 0.64835479 -0.88620914 -0.09811061 -5.36962718 0.71609437 -0.66717461 1.57583356 1.15155521 -0.50730104 -6.10980222 -0.59447374 0.55427457 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1076-56-8 14104 144212892 A Ac 2-Methoxy-4-methyl-1-(propan-2-yl)benzene COc1cc(C)ccc1C(C)C Tox21_302575 -NCGC00257144-01 196726744 tox21-ror-cho-viability-p1 set3 4 0.3683881 1.10035041 2.11461068 0.26786068 1.14916271 0.94629425 -1.50371641 3.8030826 1.84070176 2.78543965 0.36322168 1.64659007 3.54262033 3.39168759 -1.61734695 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-90-5 7355 144213470 A F Ethylene glycol dimethacrylate O=C(OCCOC(=O)C(=C)C)C(=C)C Tox21_303153 -NCGC00274063-01 196713263 tox21-ror-cho-viability-p1 set2 4 29.8492948118 -18.213839472 0 -18.213839472 4.9549173134 0.9545513786 0.0000050712 2.02919492 -1.33459152 -0.56728668 0.88220888 -0.08170999 1.01551466 0.62794621 1.17584106 -0.11524115 -0.12888396 -1.25532113 -0.14472229 0.66781076 -1.94720456 -16.42819956 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77469-98-8 10126299 170465745 F Pimobendan Cl.COc1ccc(cc1)c2nc3ccc(cc3n2)C4=NNC(=O)CC4C Tox21_112667_1 -NCGC00260326-01 196712444 tox21-ror-cho-viability-p1 set2 -2.1 8.3598397843 -91.7228483408 -4.963774009 -96.6866223498 2.2526478767 0.9455426927 0.0000133783 -3.3745068 -0.8241208 -6.57839815 -17.74194247 -6.71289416 -4.32781008 -0.02445088 -6.93044526 -5.31474228 -3.32146339 -9.3246316 -1.78990007 -13.76761595 -71.9064602 -84.36878041 2.998E-10 6.704E-10 1.4989999999E-9 3.3519999999E-9 7.496E-9 1.676E-8 3.7479999999E-8 8.38E-8 1.874E-7 4.19E-7 9.37E-7 0.000002095 0.0000046849999999 0.00001048 0.00002342 137-29-1 472181 144209978 Fc Copper dimethyldithiocarbamate [Cu+2].S=C([S-])N(C)C.CN(C)C([S-])=S Tox21_202780 -NCGC00016868-12 196712847 tox21-ror-cho-viability-p1 set2 4 1.08284067 0.41980992 0.16679292 -2.57241339 0.96527776 -0.40141374 -0.70407088 0.37141355 1.72835582 0.83031891 0.39127775 -1.27681404 -3.1093564 -2.74831494 -0.64280297 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53164-05-9 1981 170466043 A Acemetacin Clc1ccc(cc1)C(=O)n3c2ccc(cc2c(CC(=O)OCC(=O)O)c3C)OC Tox21_113473_1 -NCGC00091499-05 196712865 tox21-ror-cho-viability-p1 set2 4 0.02187183 -1.79974929 -0.68690643 2.80030446 -6.2353548 -2.40394836 -2.10449377 -2.98355983 0.72838507 1.61768851 -1.0312069 0.18774053 -1.53159965 1.66915448 1.23074157 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00018257-08 196713272 tox21-ror-cho-viability-p1 set2 4 -1.3307104 -6.0165479 -3.40465866 -1.53297654 -3.12335844 -1.76044142 -0.09262932 1.00564369 -0.31755955 0.35733121 -5.36140489 1.29584053 2.06616197 1.90365971 -3.71190812 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 532-03-6 4107 170464808 A Methocarbamol NC(=O)OCC(O)COc1ccccc1OC Tox21_110454_1 -NCGC00016506-07 196713277 tox21-ror-cho-viability-p1 set2 4 -1.58039435 -5.3404476 -2.94909274 -6.52381775 -4.68379923 -1.20887324 -2.31037636 -0.32453389 -1.68889464 0.66843816 -0.95499234 -0.53310585 -3.26809393 1.01642077 -2.90119932 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 550-99-2 11957635 170464797 A Naphazoline hydrochloride Cl.c2cc(CC1=NCCN1)cc3ccccc23 Tox21_111255_1 -NCGC00018237-09 196713278 tox21-ror-cho-viability-p1 set2 4 0.0421632496 -10.790882516 1 -9.790882516 1.21 0.808330942 0.0067007648 0.21027699 -0.54398437 0.85927555 2.26187904 -0.13927156 -8.4607538 -2.08709835 -8.94804621 -9.31335258 -8.5158001 -12.32573543 -10.29748412 -8.74478831 -11.94236197 -7.29996275 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52-68-6 5853 170465707 Fc Trichlorfon OC(C(Cl)(Cl)Cl)P(=O)(OC)OC Tox21_110843_1 -NCGC00091426-02 196713682 tox21-ror-cho-viability-p1 set2 4 2.40664574 1.30874892 0.68232122 1.73834609 0.11388066 -0.78144446 -0.16406808 2.33835758 -0.53287534 2.43251152 -0.71486793 4.27287874 1.36294745 0.43331291 -0.90698934 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00263570-01 196713696 tox21-ror-cho-viability-p1 set2 4 3.09042752 -0.924005 0.44967021 1.35523017 -2.55237995 -0.41494632 -0.9891438 -2.94928019 -1.26530788 1.58646346 -1.95308471 -0.53881817 -3.08529946 -1.86251218 -1.87283109 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 201677-61-4 23663985 170465996 F Sivelestat sodium tetrahydrate [Na+].O.O.O.O.O=S(=O)(Nc1ccccc1C(=O)NCC([O-])=O)c2ccc(OC(=O)C(C)(C)C)cc2 Tox21_112570_1 -NCGC00091009-05 196714129 tox21-ror-cho-viability-p1 set2 4 3.8871001809 -7.5375835679 -0.5 -8.0375835679 1.4641 0.7154594852 0.0320503236 0.54087817 -0.5373375 -0.14925107 0.14973434 0.23946735 -3.91915349 0.77018627 0.44029978 -4.63916691 -0.59131984 -3.26699195 -5.60583889 -11.28131964 -6.3916582 -6.67611342 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00016511-08 196713307 tox21-ror-cho-viability-p1 set2 4 6.6824247267 -20.2962323999 -2 -22.2962323999 0.4 0.7634202636 0.0158337919 -4.78611105 -0.29944938 0.17880865 -3.65626094 -4.89286719 -6.65368216 -6.14358763 -7.43177568 -4.96899765 -6.10910075 -7.88002219 -15.66439441 -8.1473179 -15.31558887 -16.913527 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 569-57-3 11289 170465394 F Chlorotrianisene COc1ccc(cc1)C(\Cl)=C(/c2ccc(OC)cc2)c3ccc(OC)cc3 Tox21_110466_1 -NCGC00254131-01 196699403 tox21-ror-cho-viability-p1 set1 4 54.9067494525 -23.927281628 -2.5 -26.427281628 2.2526478767 0.7272869 0.0271450156 -1.8716273 -4.01921727 -1.81765458 -1.42798847 0.55252152 -7.80069555 2.70418422 0.31004249 -2.13050927 -5.66914411 -6.62782471 -3.31314398 -0.66799941 -10.94927514 -19.52273469 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 929601-09-2 21935081 144210562 A A SR58611 Cl.Clc1cccc(c1)C(O)CNC2Cc3cc(ccc3CC2)OCC(=O)OCC Tox21_300242 -NCGC00018237-09 196698590 tox21-ror-cho-viability-p1 set1 4 2.20165053 -0.7958907 -4.42207159 -3.79666996 -5.6563893 -3.57835399 -4.90543914 -0.55888125 -0.29976919 -2.42806082 -5.65498436 3.62441074 0.77435111 -2.0923698 2.65119007 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52-68-6 5853 170465707 Fc Trichlorfon OC(C(Cl)(Cl)Cl)P(=O)(OC)OC Tox21_110843_1 -NCGC00254753-01 196699003 tox21-ror-cho-viability-p1 set1 4 76.9588215421 14.372705652 -3.372705652 11 4.9549173134 0.4355609306 0.2389869702 -1.33941639 -9.47725471 -6.88402099 -7.21825243 -3.17466878 -2.49337914 -1.49994471 -1.16954786 -2.44371081 -0.10114958 -8.11202098 1.46740889 0.16168808 -5.62840812 8.18047771 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-61-9 8482 144211167 A A 4'-Sulfamylacetanilide O=S(N)(=O)c1ccc(NC(C)=O)cc1 Tox21_300850 -NCGC00160537-04 196699007 tox21-ror-cho-viability-p1 set1 4 0.0013685429 8.67556748 -7.67556748 1 4.9549173134 0.5073608996 0.1767946712 -5.5629729 2.86734649 0.57537755 -0.06673073 0.53600831 1.13089802 4.54202701 -2.06784953 3.11385567 1.02008886 1.68381276 -0.88116084 0.06446311 1.7458936 0.54461113 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00091902-08 196699404 tox21-ror-cho-viability-p1 set1 4 -0.20862958 0.49484861 -0.99130222 -0.67042556 -1.03622762 -0.39060948 -0.30576475 -0.40707139 -0.80383422 0.33899249 -3.58884466 -1.3414171 0.15138862 5.18584356 0.81609966 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00255030-01 196699406 tox21-ror-cho-viability-p1 set1 4 2.06398723 -0.04436973 0.96821604 0.42204743 0.85213882 0.16458741 6.00449498 0.5450887 3.18765694 0.41743033 -0.40272347 -0.40023471 5.27642402 1.23509897 0.84182928 6.312E-10 1.4109999999E-9 3.156E-9 7.056E-9 1.578E-8 3.5279999999E-8 7.889E-8 1.764E-7 3.945E-7 8.821E-7 0.000001972 0.00000441 0.000009862 0.00002205 0.00004931 109-73-9 8007 144211448 D Butylamine CCCCN Tox21_301131 -NCGC00254392-01 196699416 tox21-ror-cho-viability-p1 set1 4 1.46514312 1.75121388 -3.2557474 -0.40262939 0.52367497 -0.12708967 7.13866791 -3.45480189 4.68735022 -3.68375727 -0.59561628 -0.62116611 17.96196312 0.2056389 0.27134759 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 629-62-9 12391 144210853 FNS Pentadecane CCCCCCCCCCCCCCC Tox21_300535 -NCGC00254427-01 196699418 tox21-ror-cho-viability-p1 set1 4 -1.54925363 -7.40409724 -1.50831419 -1.5415754 -4.26751243 -2.13995722 -1.28479261 -0.56827406 0.97734491 -2.22225974 -5.77041158 -0.21930685 -2.09663457 0.64381656 -1.14109381 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-13-0 454 144210655 CC Fns Octanal CCCCCCCC=O Tox21_300337 -NCGC00254267-01 196699818 tox21-ror-cho-viability-p1 set1 4 -3.03776695 -6.38737348 -3.88069457 -0.28370023 -3.55678875 -4.79208895 -3.59694432 -3.33278236 -0.55643094 -2.81349683 -10.89782446 0.03205905 -9.28235727 0.30138006 -0.44453911 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-14-8 8094 144210660 A A Heptanoic acid CCCCCCC(=O)O Tox21_300342 -NCGC00253643-01 196723518 tox21-ror-cho-viability-p1 set3 4 0.0473079441 -4.859798616 5.5 0.640201384 0.9999999999 0.3517268686 0.336413549 6.18972161 4.37424434 4.20234897 3.76368552 9.2862674 4.80789616 -0.13095541 0.77072576 -2.59333758 5.36278754 3.85060035 -4.04983218 3.25811382 -1.25780324 18.24011405 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1620-98-0 73219 170466700 A A 3,5-Di-tert-butyl-4-hydroxybenzaldehyde CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C=O Tox21_113770 -NCGC00253758-01 196723507 tox21-ror-cho-viability-p1 set3 4 0.0943917582 10.6836080639 -0.1836080639 10.5 2.9022712143 0.8568205052 0.0028807161 -0.05630784 0.17039581 -0.15300672 0.03489037 0.13492822 0.2814011 3.2634267 7.96155422 12.72345652 14.38538758 12.24925884 8.52158392 5.57824655 9.0204799 -3.32898656 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63610-08-2 107641 170466270 A A Indobufen O=C(O)C(CC)c1ccc(cc1)N2Cc3ccccc3C2=O Tox21_113871 -NCGC00016241-10 196723515 tox21-ror-cho-viability-p1 set3 4 0.016785492 11.719604044 -14.719604044 -3 0.7999999999 0.3762593152 0.2946629464 -12.39927185 -15.18300337 -11.45452893 -10.11209645 -14.80683548 0 -12.86716959 0 -1.861005 -1.2883918 -5.35176391 -5.26473738 -11.03340522 -8.02558097 7.49903169 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54-31-9 3440 170464879 A Furosemide NS(=O)(=O)c2cc(c(NCc1ccco1)cc2Cl)C(=O)O Tox21_110322_1 -NCGC00263538-01 196723517 tox21-ror-cho-viability-p1 set3 1.2 0.2113168243 40.4004435385 -4.0866043155 36.313839223 4.9549173134 0.9651787111 0.0002376334 -4.3075094 -3.86054097 -6.19461088 -1.39295684 -2.80346825 -8.72180355 -2.70868827 5.34938559 38.86939534 31.25182725 28.06800849 18.21010692 11.73770313 8.94714406 19.78613248 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 147059-75-4 62960 170465074 A Trovafloxacin mesylate CS(=O)(=O)O.O=C(O)C2=CN(c1nc(c(F)cc1C2=O)N3C[C@H]4[C@H](N)[C@H]4C3)c5ccc(F)cc5F Tox21_110980_1 -NCGC00256050-01 196710111 tox21-ror-cho-viability-p1 set2 4 -8.47371414 -3.23315265 -4.3933778 -6.39887319 -3.60609783 -10.96110948 -0.48637169 -10.29823528 -4.26454629 -2.39695139 1.07724124 -7.4476883 -1.65995754 0.7368579 -2.46415989 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1732-10-1 15612 144212030 A A Dimethyl nonanedioate O=C(CCCCCCCC(=O)OC)OC Tox21_301713 -NCGC00259527-01 196709705 tox21-ror-cho-viability-p1 set2 4 -1.02994067 1.20189476 2.14217017 2.38570284 1.19076091 -0.95371994 2.0471553 -0.46536753 2.89390425 1.90683015 -0.31332852 0.75063825 -1.25565033 0.21238649 -1.5823253 1.2459999999E-9 2.7859999999E-9 6.23E-9 1.393E-8 3.115E-8 6.966E-8 1.5579999999E-7 3.4829999999E-7 7.788E-7 0.000001741 0.000003894 0.000008707 0.000019469999999 0.00004354 0.00009735 3268-49-3 18635 144209176 A A 3-(Methylthio)propanal O=CCCSC Tox21_201978 -NCGC00160537-04 196710112 tox21-ror-cho-viability-p1 set2 4 24.3365162115 -9.540286176 1.5 -8.040286176 4.9549173134 0.8954694094 0.0004128786 5.11258542 1.40252393 1.99961758 1.63236217 1.85632789 1.58882202 0.47083974 0.57336126 0.19405163 1.68094734 1.65706062 1.50452887 -0.27443062 -7.229784 -7.95023848 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00255593-01 196710529 tox21-ror-cho-viability-p1 set2 4 6.85648895 4.00246915 -1.02496983 -0.97459506 -0.90259053 0.36869464 1.22929537 3.85282733 3.09150251 2.54251053 -1.45157283 -0.82408058 3.41336657 2.77297624 -3.44361974 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6515-38-4 23017 144211873 A A 3,5,6-Trichloro-2-pyridinol Clc1cc(Cl)c(Cl)nc1O Tox21_301556 -NCGC00255308-01 196710533 tox21-ror-cho-viability-p1 set2 4 2.1341114333 6.8635086559 -1.8635086559 5 1.0641 0.3857635553 0.2905315888 1.04494143 -2.69279252 0.14080131 -2.32047281 -5.02356625 0.06508606 0.15200302 0.19224104 -6.55292388 -2.38225591 -0.20210782 0.10696183 1.10541721 1.40480005 3.98347822 8.73E-11 1.9519999999E-10 4.3649999999E-10 9.76E-10 2.1819999999E-9 4.88E-9 1.091E-8 2.44E-8 5.4559999999E-8 1.2199999999E-7 2.7279999999E-7 6.1E-7 0.000001364 0.0000030499999999 0.00000682 9016-00-6 24771 144212754 FNS Polydimethylsiloxane C[Si](C)=O Tox21_302437 -NCGC00258858-01 196706396 tox21-ror-cho-viability-p1 set1 4 19.3311819617 10.0195108839 -7.0195108839 3 4.9549173134 0.6224879962 0.0818941827 -7.9060082 -3.90816022 -8.37734124 -6.41411111 -2.88591752 -5.72575368 -5.60576553 -11.01222145 -4.81978781 -7.00475439 -7.67124514 -13.76625907 -2.37623036 0.83739263 4.96210338 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041219999999 0.00009218 115-95-7 8294 144208504 A Ac Linalyl acetate O=C(C)OC(C)(CC\C=C(\C)C)C=C Tox21_201306 -NCGC00259686-01 196705994 tox21-ror-cho-viability-p1 set1 4 61.4415298105 7.816458916 -2.816458916 5 4.0949729863 0.3198189634 0.3524022632 -7.63719961 -3.55565929 -3.98861433 -1.84279578 -3.11002349 -2.14291947 -5.03958835 -0.70002257 1.42658535 -2.78941846 -2.44224861 -8.18038243 0.38064165 -1.83920416 3.73212604 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.625E-8 1.481E-7 3.3129999999E-7 7.407E-7 0.000001656 0.000003704 0.000008281 0.00001852 0.000041409999999 0.000092589999999 119-84-6 660 144209335 B Fns 3,4-Dihydrocoumarin O=C1CCc2ccccc2O1 Tox21_202137 -NCGC00259000-01 196705998 tox21-ror-cho-viability-p1 set1 4 24.2870266016 -9.4503810519 1.5 -7.9503810519 4.0949729863 0.5942079515 0.1177524906 2.84004887 0.2589727 1.08523352 0.89934183 2.45995251 0.17369177 1.14759001 -1.95194273 6.38128887 0 1.43630682 0.7003632 -0.64297029 -7.04198421 3.97812557 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009203 719-32-4 12868 144208647 2,3,5,6-Tetrachlorobenzene-1,4-dicarbonyl dichloride Clc1c(C(Cl)=O)c(Cl)c(Cl)c(C(Cl)=O)c1Cl Tox21_201449 -NCGC00258910-01 196706000 tox21-ror-cho-viability-p1 set1 4 -9.01748283 -0.14809597 0.49802462 0.56090725 -0.10435335 0.08459256 0.26096554 4.87991319 6.97073158 -9.75413694 -3.28573249 0.37732877 1.36784985 1.50160728 4.65306641 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.295E-7 7.367E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.000041179999999 0.00009209 134-29-2 8638 144208556 A B 2-Methoxyaniline hydrochloride Cl.Nc1ccccc1OC Tox21_201358 -NCGC00259239-01 196706399 tox21-ror-cho-viability-p1 set1 4 -0.04619048 2.27906715 3.66555169 3.50434956 -0.47543431 3.62270973 0.33738453 0.15884689 6.57742123 9.9872795 -5.80928047 -5.84568156 -2.21717039 4.10672744 -0.69398694 1.1699999999E-9 2.6159999999E-9 5.849E-9 1.3079999999E-8 2.925E-8 6.539E-8 1.462E-7 3.27E-7 7.311E-7 0.000001635 0.000003656 0.0000081739999999 0.00001828 0.000040869999999 0.000091389999999 79917-90-1 2734161 144208888 A A 1-Butyl-3-methylimidazolium chloride [Cl-].CCCCn1cc[n+](C)c1 Tox21_201690 -NCGC00259753-01 196706404 tox21-ror-cho-viability-p1 set1 4 -11.09996299 -2.15586649 -6.06487503 -14.67267598 -3.52161459 -8.07504905 -5.75467715 -4.21583878 1.77162259 -16.48476296 6.05533168 -9.86345376 -8.93853389 -6.77184346 -0.9551614 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3839999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004128 0.00009229 30560-19-1 1982 144209402 A A Acephate O=C(C)NP(=O)(OC)SC Tox21_202204 -NCGC00258850-01 196706407 tox21-ror-cho-viability-p1 set1 4 -12.57531464 -8.35792335 -10.78446636 -9.59555936 3.20389113 -7.4298329 -6.03700682 -2.77496399 0.84366193 -13.13825725 -15.49417367 -7.5517327 -5.90969644 -5.73369711 -3.86743692 1.21E-9 2.707E-9 6.052E-9 1.353E-8 3.0259999999E-8 6.767E-8 1.5129999999E-7 3.3829999999E-7 7.5649999999E-7 0.0000016919999999 0.0000037829999999 0.000008458 0.00001891 0.000042289999999 0.000094569999999 1918-02-1 15965 144208496 A A Picloram Nc1c(Cl)c(nc(Cl)c1Cl)C(=O)O Tox21_201298 -NCGC00259274-01 196706416 tox21-ror-cho-viability-p1 set1 4 -1.10042135 1.81563638 0 -0.27998945 2.25083556 3.50585183 2.4784935 2.66225133 1.62959693 0 3.01119621 2.74160473 2.07785257 -0.75688229 -0.14674932 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.551E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.000003662 0.0000081889999999 0.00001831 0.00004095 0.00009156 87-68-3 6901 144208923 Hexachloro-1,3-butadiene Cl/C(Cl)=C(\Cl)C(\Cl)=C(\Cl)Cl Tox21_201725 -NCGC00260368-01 196724724 tox21-ror-cho-viability-p1 set3 4 34.9012905641 -17.8623260639 -1 -18.8623260639 2.09374246 0.6601457236 0.0583885985 -7.08405037 -1.60108776 0.71210485 -5.27250807 -0.82950181 -5.43641733 4.18664064 2.14853506 0.08307301 -0.52495856 4.5613507 -0.03848688 -7.97933179 -9.8925996 -17.38527172 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.6799999999E-8 1.494E-7 3.34E-7 7.468E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004175 0.000093349999999 3344-77-2 137895 144210020 F F 12-Bromo-1-dodecanol BrCCCCCCCCCCCCO Tox21_202822 -NCGC00260140-01 196724317 tox21-ror-cho-viability-p1 set3 4 0.0122224434 13.2765338479 -10.7765338479 2.5 1.0999999999 0.7893575933 0.0135879257 -11.89711154 -11.17033111 -1.86664461 -11.18047603 -2.35366226 -1.68485735 1.88332704 2.84161935 3.92432661 2.81985764 1.72451711 1.50680776 3.35346 -0.15419191 -2.87180806 6.039E-10 1.35E-9 3.02E-9 6.752E-9 1.51E-8 3.376E-8 7.549E-8 1.688E-7 3.774E-7 8.4399999999E-7 0.0000018869999999 0.0000042199999999 0.0000094359999999 0.0000211 0.00004718 56-49-5 1674 144209790 A F 3-Methylcholanthrene Cc2ccc3cc1c5ccccc5ccc1c4CCc2c34 Tox21_202592 -NCGC00260531-01 196724731 tox21-ror-cho-viability-p1 set3 -1.2 1.5433414506 -42.8354260982 -1.018450767 -43.8538768652 1.713743691 0.9472536497 0.0000112518 -4.66806091 2.38132481 -0.20056869 -8.09417451 3.85717741 -0.88654486 -2.9022373 -1.33130203 -12.63156491 -24.4627269 -31.39631946 -51.32733026 -40.08996064 -46.45285307 -37.96645334 1.185E-9 2.6499999999E-9 5.9249999999E-9 1.325E-8 2.9629999999E-8 6.625E-8 1.481E-7 3.312E-7 7.406E-7 0.000001656 0.0000037029999999 0.000008281 0.00001852 0.0000414 0.00009258 148-24-3 1923 144210184 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_202986 -NCGC00260335-01 196724397 tox21-ror-cho-viability-p1 set3 4 -5.57999923 2.1348033 -1.23589437 -8.05162323 -3.48835372 1.40204116 -3.36821598 1.3483788 4.97857477 3.45758547 4.54948508 2.31267985 -0.46342508 -6.4609544 -0.15625877 5.964E-11 1.3329999999E-10 2.9819999999E-10 6.667E-10 1.491E-9 3.334E-9 7.454E-9 1.667E-8 3.7269999999E-8 8.3339999999E-8 1.864E-7 4.167E-7 9.3179999999E-7 0.000002084 0.000004659 915-67-3 5359521 144209987 F Amaranth [Na+].[Na+].[Na+].[O-]S(=O)(=O)c4ccc(/N=N\c1c2ccc(cc2cc(c1O)S([O-])(=O)=O)S([O-])(=O)=O)c3ccccc34 Tox21_202789 -NCGC00163771-03 196724382 tox21-ror-cho-viability-p1 set3 4 61.130564862 18.9330195199 -1.9330195199 17 2.9522712143 0.7662074017 0.0151671842 -5.3608496 -4.25000538 -5.2116077 -5.25969221 0.64074177 -1.21590803 -1.15875974 0.12541903 -1.26675411 -2.18267584 0.66333943 0.52983699 -0.6488032 2.72334885 12.68328847 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00260413-01 196724387 tox21-ror-cho-viability-p1 set3 4 -3.6644387 6.28617084 -4.82454236 -4.810777 0.06737119 -4.03009895 -2.46742507 4.16338885 -0.69927967 0.76395533 -3.32091296 -2.96054931 5.36875346 -3.09862922 -6.39093671 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.61E-8 1.4779999999E-7 3.305E-7 7.3909999999E-7 0.0000016529999999 0.0000036949999999 0.000008263 0.00001848 0.00004131 0.000092379999999 73367-80-3 175468 144210065 D A 12-BromododecanoicAcid O=C(O)CCCCCCCCCCCBr Tox21_202867 -NCGC00357186-01 196724396 tox21-ror-cho-viability-p1 set3 4 0.216899429 -4.888575864 2.5 -2.388575864 4.9549173134 0.4163859277 0.2750843523 -3.42780262 1.11294329 1.86037773 2.39856749 4.95665497 6.21608645 4.89543655 -4.25503686 1.64988833 -3.78519583 -5.32381322 -2.06268562 -1.62920109 -0.0698876 6.14127314 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90325-47-6 2724429 251919988 A 1,2,3-Hexanetriol CCCC(O)C(O)CO Tox21_303952 -NCGC00260104-01 196724806 tox21-ror-cho-viability-p1 set3 -2.2 29.5398874859 -54.9039243093 -0.942439034 -55.8463633433 2.9022712143 0.9230633893 0.0000844152 0.60827993 5.10187975 4.54351425 -2.31864701 -3.78469035 -4.43906425 -3.55312221 -0.65369159 2.21809673 -2.16251948 -1.00869727 -5.50368221 -6.87669598 -13.14011309 -44.32251059 5.848E-10 1.3079999999E-9 2.924E-9 6.538E-9 1.4619999999E-8 3.269E-8 7.31E-8 1.635E-7 3.655E-7 8.173E-7 0.0000018269999999 0.000004086 0.000009137 0.00002043 0.00004569 112-02-7 8154 144209753 A A Hexadecyl trimethyl ammonium chloride [Cl-].C[N+](C)(C)CCCCCCCCCCCCCCCC Tox21_202555 -NCGC00090987-03 196724809 tox21-ror-cho-viability-p1 set3 4 96.8854161011 11.792237048 0.207762952 12 0.4 0.4267982883 0.2500430499 -3.16019754 0.6155516 1.90272874 -0.80840296 2.92953089 2.2599586 3.98499563 1.48437245 0.40128286 0.45295231 1.6062461 1.85376594 3.41341398 9.91464413 4.27052298 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00253718-01 196725216 tox21-ror-cho-viability-p1 set3 4 0.0883222 2.79259145 -0.71691341 -4.22703182 4.10040687 -2.4648418 1.21736639 9.73235209 -2.59284336 9.9238002 0.28820609 -2.11177121 8.15605896 4.74427805 -4.45123341 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61516-73-2 109094 170466722 A A Ethyl 2-oxopyrrolidin-2-ylacetate O=C(OCC)CN1CCCC1=O Tox21_113837 -NCGC00091208-09 196725221 tox21-ror-cho-viability-p1 set3 4 -5.88006381 -6.10302829 5.30645272 -2.54389748 7.84319765 9.04289593 11.43555951 -3.13033465 -4.01816173 -5.82073794 -0.12964928 11.19260308 4.75060121 0.16297452 -9.01610668 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 136-77-6 3610 170465471 Ac 4-Hexylresorcinol Oc1cc(O)ccc1CCCCCC Tox21_111102_1 -NCGC00159417-06 196712906 tox21-ror-cho-viability-p1 set2 -2.1 49.6956931991 -81.3486985764 -0.5715712139 -81.9202697903 2.0478617061 0.9842182552 1.2E-8 -1.19661889 -2.90295627 0.26570499 -2.1458014 1.38217442 -1.81357697 0.43464494 0.52402074 -0.30189748 1.3392506 0.57524421 -9.45915438 -8.8450563 -34.4322022 -64.33353772 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00065440-03 196712910 tox21-ror-cho-viability-p1 set2 4 2.61644984 -0.16903996 3.14299564 3.60805104 1.1569017 3.139111 0.15729744 0.24892831 0.15231999 1.04473389 1.90190362 4.01456434 0.82153228 0.98043176 1.85279629 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1027-14-1 2843496 170466214 A Trimecaine monohydrochloride Cl.O=C(Nc1c(C)cc(C)cc1C)CN(CC)CC Tox21_110981_1 -NCGC00186014-02 196712496 tox21-ror-cho-viability-p1 set2 4 1.61095072 -0.31436186 0.31300322 0.44282538 -0.40504695 -1.06611194 2.17685938 -1.90830171 2.20776411 -0.14074037 3.16946822 0.40098626 0.43803085 1.88886167 -0.91381978 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 144598-75-4 9802545 170464996 A Paliperidone CC=5N=C1[C@H](O)CCCN1C(=O)C=5CCN2CCC(CC2)c4noc3cc(F)ccc34 Tox21_113609_1 -NCGC00091612-09 196712499 tox21-ror-cho-viability-p1 set2 4 0.97361702 -0.42545722 1.13384575 -1.66471016 -3.31097137 -3.52282086 -2.71184438 -1.65732768 -1.85170023 -1.73446898 -4.9201935 -3.64268772 0.51149497 0.72478447 -3.40351477 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 102-76-1 5541 170465543 F Triacetin O=C(C)OC(COC(C)=O)COC(=O)C Tox21_111155_1 -NCGC00016740-18 196712913 tox21-ror-cho-viability-p1 set2 -2.4 16.3534627896 -22.539636864 0.5 -22.039636864 4.9549173134 0.8906685909 0.0005056546 -1.8646347 -1.94724504 2.32569038 0.36936469 3.79917628 -0.50806142 -0.53170864 1.2650921 2.69262286 1.17950687 -1.9240108 1.66030583 0.67582925 0.58055013 -20.03303072 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 19216-56-9 4893 170465415 A Prazosin O=C(N1CCN(CC1)c3nc2cc(OC)c(OC)cc2c(N)n3)c4ccco4 Tox21_113646_1 -NCGC00016352-07 196713324 tox21-ror-cho-viability-p1 set2 4 1.4960085492 -14.185506052 6.5 -7.685506052 0.2 0.4987228148 0.1994880937 5.14902558 4.70470825 1.24692619 1.47701918 -1.02398049 6.90675786 1.27246256 1.04213357 0.23483973 -0.76915034 0.1251347 0.41861181 -4.73792171 -1.60468338 0.22276318 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-09-7 2337 170465463 A Benzocaine Nc1ccc(cc1)C(=O)OCC Tox21_110391_1 -NCGC00165740-05 196713726 tox21-ror-cho-viability-p1 set2 4 -0.52633136 0.33460935 -1.21843512 0.01748753 -0.22163913 -0.22397635 -1.3510168 -0.54215172 2.52059291 0.40648157 0.71456942 -1.18398926 2.11370237 -2.04805225 -2.64273314 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 86541-74-4 5362123 170465003 D Benazepril Cl.O=C(OCC)[C@H](CCc1ccccc1)N[C@H]3CCc2ccccc2N(CC(=O)O)C3=O Tox21_111441_1 -NCGC00253651-01 196713747 tox21-ror-cho-viability-p1 set2 4 4.49272977 1.13117573 1.84077323 0.24331369 -0.31352101 2.17790262 -1.03405635 -3.47065011 -3.29603386 1.31821211 1.69757394 -1.08136425 -0.21382053 -4.17408023 -3.44612891 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6320-03-2 80599 170466754 F Fc o-Chlorothiophenol Sc1ccccc1Cl Tox21_113777 -NCGC00254377-01 196714150 tox21-ror-cho-viability-p1 set2 4 -0.60221745 -1.06166611 -0.19243943 -1.45232219 1.06141013 1.13937435 0.76906585 2.84853796 -0.96227935 -0.50713141 3.31651239 3.0544034 -0.51374708 3.60306143 4.01381178 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 133-90-4 8630 144210905 A A Chloramben Clc1cc(C(=O)O)c(Cl)c(N)c1 Tox21_300588 -NCGC00163735-04 196714164 tox21-ror-cho-viability-p1 set2 4 72.7253077472 -12.029356056 -1 -13.029356056 3.9294729863 0.8860454872 0.0006476039 -1.02762525 -0.33591819 -0.6239823 -0.37265373 -0.22726485 0.02154466 -1.59241387 0.15764947 -2.33337477 -1.94776841 -1.52523863 -0.20022982 -2.46665643 -2.06156154 -10.02446338 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00254653-01 196714165 tox21-ror-cho-viability-p1 set2 4 0.31654998 0.5459997 3.94664916 0.76135442 -0.68884711 -1.62520532 1.55205745 -7.98763843 -4.90163918 2.79291197 0.88534328 4.86655195 -0.66247017 -0.36009343 1.39173926 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 122-34-9 5216 144211065 A A Simazine Clc1nc(NCC)nc(NCC)n1 Tox21_300748 -NCGC00254099-01 196714561 tox21-ror-cho-viability-p1 set2 4 0.41904596 1.43913275 2.97202554 0.46065077 -1.78500832 0.25308335 1.4273247 -0.57565139 -0.69803553 1.4964382 0.70466152 7.45917192 6.30139345 4.2724921 0.76348376 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 111-87-5 957 144210416 A A 1-Octanol CCCCCCCCO Tox21_300096 -NCGC00254974-01 196714563 tox21-ror-cho-viability-p1 set2 4 3.13136767 2.85893485 -0.46760739 -0.78325372 3.12243027 1.07360628 1.00783354 0.70589649 1.71167616 -1.81940067 3.80409217 4.1439745 -1.17906951 -1.13328293 0.38324312 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142459-58-3 86429 144211390 A A Flufenacet O=C(COc1nnc(s1)C(F)(F)F)N(c2ccc(F)cc2)C(C)C Tox21_301073 -NCGC00090704-03 196715476 tox21-ror-cho-viability-p1 set2 4 68.5896218971 25.065611112 -3.065611112 22 3.2974983358 0.6236822237 0.0807475955 -0.95332961 -8.91625124 -7.26878002 -1.86155638 -0.26842007 -1.19278273 -2.58000203 -3.01290083 0.66674166 -10.88800926 -1.31321896 -1.69951741 3.24670277 0.4051147 15.21056974 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00258177-01 196715481 tox21-ror-cho-viability-p1 set2 4 3.60079595 0.30483898 0.80030042 -3.94767301 4.69874431 0.67857488 1.88236758 9.29789108 6.01588764 6.88619726 3.45311211 -3.84171534 5.75135371 2.98401309 8.87507179 1.177E-9 2.6319999999E-9 5.886E-9 1.316E-8 2.943E-8 6.5809999999E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.000003679 0.000008226 0.00001839 0.00004113 0.000091969999999 78-44-4 2576 144207821 A A Carisoprodol O=C(NC(C)C)OCC(C)(COC(=O)N)CCC Tox21_200623 -NCGC00090708-05 196715075 tox21-ror-cho-viability-p1 set2 -1.2 4.3277125691 -55.1388301807 -2.729581758 -57.8684119387 1.9673362061 0.9608412383 0.0000059518 -2.75476474 1.0510462 -1.39778149 -5.69450805 -1.2520087 -7.66857018 -10.04518072 -3.94118958 -0.22833147 -5.93082433 -22.53115584 -51.79144368 -56.24477138 -51.0386926 -25.19659113 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00258429-01 196715471 tox21-ror-cho-viability-p1 set2 4 -0.93783318 -1.19759839 0.28824779 -1.28345269 -2.65562518 -1.49520431 -1.42094496 0.82329687 -0.35552724 -1.85206382 -1.94800454 0.48855515 -3.22734472 -2.55901295 -5.82567967 1.1919999999E-9 2.6649999999E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.662E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004164 0.000093099999999 121-86-8 8491 144208073 A Ac 2-Chloro-1-methyl-4-nitrobenzene Cc1ccc(cc1Cl)[N+]([O-])=O Tox21_200875 -NCGC00257677-01 196715487 tox21-ror-cho-viability-p1 set2 4 1.99495445 4.12675534 0.07694311 -0.79583043 -0.81689267 -0.86128851 1.6411602 1.76261014 -2.36220712 -0.4497266 1.75223075 1.0966653 2.57771992 0.34371913 8.35245826 1.148E-9 2.567E-9 5.74E-9 1.2829999999E-8 2.87E-8 6.417E-8 1.4349999999E-7 3.209E-7 7.175E-7 0.000001604 0.000003587 0.000008021 0.00001794 0.00004011 0.00008968 594-61-6 11671 144207321 A A 2-Hydroxyisobutyric acid O=C(O)C(C)(C)O Tox21_200123 -NCGC00258540-01 196715892 tox21-ror-cho-viability-p1 set2 -2.4 33.9571639359 -22.9671940359 -2.5 -25.4671940359 2.7867712143 0.9253506942 0.0000725007 -5.31117129 -4.9392977 -2.79027917 -3.49514037 -0.02788622 0.78660541 -4.16468129 -2.23252404 -1.30434889 -2.59628987 0.27765585 -1.35829012 -6.90347815 -16.13688744 -24.55599503 1.1679999999E-9 2.612E-9 5.8409999999E-9 1.3059999999E-8 2.92E-8 6.53E-8 1.4599999999E-7 3.265E-7 7.3009999999E-7 0.0000016329999999 0.0000036509999999 0.000008163 0.00001825 0.00004081 0.00009126 521-18-6 10635 144208185 A A 5alpha-Dihydrotestosterone O=C3C[C@@H]4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)CC[C@@H]12)[C@@]4(C)CC3 Tox21_200987 -NCGC00258457-01 196716304 tox21-ror-cho-viability-p1 set2 4 -0.82835526 -5.51848988 -2.58606544 -1.7196503 -0.9799469 -1.89208283 -1.86841094 -1.78061462 0.4266183 -1.72871121 0.93723834 -9.99619672 0.38007382 -6.50941245 -7.26648511 1.2229999999E-9 2.7349999999E-9 6.115E-9 1.367E-8 3.058E-8 6.837E-8 1.529E-7 3.4189999999E-7 7.6439999999E-7 0.000001709 0.000003822 0.000008547 0.000019109999999 0.000042729999999 0.000095549999999 103-50-4 7657 144208101 FNS Dibenzyl ether C(OCc1ccccc1)c2ccccc2 Tox21_200903 -NCGC00258099-01 196716323 tox21-ror-cho-viability-p1 set2 -2.4 69.008347349 -29.779895724 0.5 -29.279895724 1.111 0.8188444646 0.0052456909 1.96035727 0.30363049 0.12915997 1.6656753 0.21665246 0.66274457 0.06839217 1.59303718 0.92488795 0.77961497 -0.29772743 -5.89290604 -8.10304721 -3.65751817 -21.06657977 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003707 0.0000082899999999 0.00001854 0.00004145 0.00009269 17696-62-7 87250 144207743 B B Phenylparaben O=C(Oc1ccccc1)c2ccc(O)cc2 Tox21_200545 -NCGC00015072-10 196716721 tox21-ror-cho-viability-p1 set2 4 -0.04207387 0.19697049 -6.61096324 2.71020986 -1.78621638 -1.54952626 -3.44646103 -2.04287761 -3.2794715 -3.73613212 -1.47578863 0.59249578 0.85628126 0.52547301 0.45184704 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 34118-92-8 71417 170466151 A Acecainide hydrochloride Cl.O=C(C)Nc1ccc(cc1)C(=O)NCCN(CC)CC Tox21_111206_1 -NCGC00091338-06 196716725 tox21-ror-cho-viability-p1 set2 4 0.6682424727 -5.977089668 2 -3.977089668 2.4063783767 0.577073289 0.1152151279 -1.06491022 0.00486994 0.2615452 -0.29242768 0.05890481 5.86374891 5.94963366 5.63821987 -0.69298366 -1.70278358 -2.02309529 -4.41729958 -4.31637477 -2.93984158 -5.81424139 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-50-7 1732 170466134 Ac 4-Chloro-3-methylphenol Oc1ccc(Cl)c(C)c1 Tox21_111116_1 -NCGC00016590-06 196716736 tox21-ror-cho-viability-p1 set2 4 0.0016785492 21.51044914 -21.01044914 0.5 0.3 0.6274765466 0.0784694638 -15.84204095 -11.131402 -5.39639076 -5.79903694 -3.85730111 -5.24134938 -12.25533227 -6.83415088 -0.52394858 -3.83898196 0.03290833 0.60565781 -0.91022054 -1.6538275 -0.05192085 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1649-18-9 15443 170465697 A Azaperone Fc1ccc(cc1)C(=O)CCCN2CCN(CC2)c3ccccn3 Tox21_110512_1 -NCGC00160378-02 196717132 tox21-ror-cho-viability-p1 set2 4 0.0298492948 15.559824824 -11.559824824 4 0.2 0.5233864327 0.159560939 -7.45504972 -4.08140349 -8.79985402 -3.99219345 -1.27095448 -6.76263967 0.41121355 -5.51083835 -2.74444591 2.18382474 -4.47633819 -0.18561557 0.95738169 0.11531841 2.1713045 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 42879-47-0 39328 170466127 A Pranolium chloride [Cl-].CC(C)[N+](C)(C)CC(O)COc2cccc1ccccc12 Tox21_111774_1 -NCGC00253723-01 196717136 tox21-ror-cho-viability-p1 set2 4 -1.96762649 -0.96628278 3.03259882 3.19775244 -0.16785017 5.18971443 -1.14474646 -1.34664591 0.31971221 1.56179901 -0.05160139 0.56677615 -1.34617286 2.74098461 1.66680004 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4093-31-6 77721 170466771 A A Methyl 4-acetamido-5-chloro-o-anisate Clc1cc(c(cc1NC(C)=O)OC)C(=O)OC Tox21_113842 -NCGC00259301-01 196705903 tox21-ror-cho-viability-p1 set1 4 4.49824946 6.75908376 -0.52826108 3.63066055 5.11495065 -1.95824951 -0.45212971 2.63722795 -12.41252212 1.07255149 -0.03219596 -0.16938917 2.05203757 1.04432119 0.3879877 1.1859999999E-9 2.6519999999E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001853 0.000041439999999 0.000092669999999 56038-13-2 71485 144208950 A A Sucralose O[C@H]1[C@H](O[C@H](CO)[C@H](Cl)[C@@H]1O)O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O Tox21_201752 -NCGC00258899-01 196705899 tox21-ror-cho-viability-p1 set1 4 -6.9585638 -1.26153843 -9.67103999 -3.16243329 -2.82825074 -4.25466661 -5.60151075 -13.13028139 -1.87393092 -4.46657663 -2.53043478 -9.65547536 0.97925745 -0.14647644 -6.84470224 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004124 0.00009223 80-08-0 2955 144208545 A A Dapsone Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2 Tox21_201347 -NCGC00258932-01 196705907 tox21-ror-cho-viability-p1 set1 4 -0.98416629 2.65388411 0.077994 7.28608579 -0.03837268 -2.97206573 0.81759277 0.95748461 12.88281471 13.66064496 -4.33816498 2.6257002 0.20607457 1.59678556 0.47961423 1.194E-9 2.671E-9 5.972E-9 1.335E-8 2.986E-8 6.677E-8 1.493E-7 3.338E-7 7.465E-7 0.000001669 0.000003732 0.000008346 0.00001866 0.000041729999999 0.00009331 110-93-0 9862 144208579 A Ac 6-Methyl-5-hepten-2-one C/C(C)=C\CCC(C)=O Tox21_201381 -NCGC00260009-01 196705909 tox21-ror-cho-viability-p1 set1 4 -0.60387241 3.00517246 1.68996007 0.10849314 -0.28480776 -2.73247515 1.49783906 -3.49492058 -5.21958606 7.36366215 1.44073035 -1.08127505 3.01198859 4.68605549 -2.10053592 1.211E-9 2.7079999999E-9 6.0549999999E-9 1.3539999999E-8 3.028E-8 6.7699999999E-8 1.514E-7 3.385E-7 7.569E-7 0.0000016919999999 0.0000037849999999 0.000008462 0.00001892 0.00004231 0.000094609999999 504-88-1 1678 144209658 A A 3-Nitropropionic acid [O-][N+](=O)CCC(=O)O Tox21_202460 -NCGC00260005-01 196705915 tox21-ror-cho-viability-p1 set1 -2.1 48.1136466187 -106.013308134 0.657083793 -105.356224341 2.4063783767 0.9688311343 6.026E-7 -2.88891175 6.9297989 0.59764514 4.74909517 -0.74862929 1.59134726 0.07384369 -1.40785612 -11.08269487 3.47747742 1.26326362 5.70938234 -9.0207269 -43.20919225 -86.49936317 1.171E-9 2.618E-9 5.8529999999E-9 1.3089999999E-8 2.927E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.317E-7 0.0000016359999999 0.000003658 0.0000081809999999 0.00001829 0.0000409 0.00009146 2772-45-4 76013 144209654 A A 2,4-Bis(1-methyl-1-phenylethyl)phenol CC(C)(c1cc(ccc1O)C(C)(C)c2ccccc2)c3ccccc3 Tox21_202456 -NCGC00259992-01 196705917 tox21-ror-cho-viability-p1 set1 4 -0.39214235 -5.44504881 -8.97562347 -0.5803242 0.37332199 -0.19252368 -2.86410851 -7.447637 -17.72153105 2.95129804 -1.20661363 0.00222155 -0.47764315 -3.33239214 1.80948936 1.1689999999E-9 2.614E-9 5.845E-9 1.3069999999E-8 2.9229999999E-8 6.535E-8 1.461E-7 3.268E-7 7.3069999999E-7 0.0000016339999999 0.000003653 0.000008169 0.00001827 0.00004084 0.00009133 119-90-4 8411 144209641 A A 3,3'-Dimethoxybenzidine Nc1ccc(cc1OC)c2ccc(N)c(OC)c2 Tox21_202443 -NCGC00259351-01 196705921 tox21-ror-cho-viability-p1 set1 4 4.94236055 0.61442733 0.63000551 2.92628619 0.98921071 0.75182424 1.18302346 -2.81959802 -0.19239162 12.61503007 1.85865097 -1.8863278 2.01987791 2.38930308 4.4804434 1.149E-9 2.569E-9 5.743E-9 1.284E-8 2.872E-8 6.421E-8 1.436E-7 3.211E-7 7.1789999999E-7 0.0000016049999999 0.0000035899999999 0.000008027 0.00001795 0.00004013 0.000089739999999 24549-06-2 32485 144209000 A B 2-Ethyl-6-methylaniline CCc1cccc(C)c1N Tox21_201802 -NCGC00259134-01 196706319 tox21-ror-cho-viability-p1 set1 4 -5.64717155 -4.6120991 -6.6559473 -10.26106564 -7.64578273 -7.63009696 -5.07941962 -6.60290877 -4.6588862 -7.15256668 6.3304165 -7.70924181 -14.86129483 -4.69104267 -3.33070573 1.204E-9 2.692E-9 6.019E-9 1.346E-8 3.009E-8 6.729E-8 1.5049999999E-7 3.365E-7 7.5239999999E-7 0.000001682 0.0000037619999999 0.000008412 0.000018809999999 0.00004206 0.00009405 112-42-5 8184 144208783 A A 1-Undecanol CCCCCCCCCCCO Tox21_201585 -NCGC00164164-02 196706328 tox21-ror-cho-viability-p1 set1 4 -10.36309519 -3.24647123 -5.00019031 -9.77868666 -4.57535317 -3.17573134 -4.14734305 -6.43285226 -5.56890286 -7.02620475 -9.63752051 -5.58013911 -5.56969303 -0.3100969 -3.36254222 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00259994-01 196706748 tox21-ror-cho-viability-p1 set1 4 51.4497213523 -21.80324688 -2 -23.80324688 0.7 0.4384373633 0.2353748691 1.00368568 -0.27835503 -3.52550787 -1.63180335 -1.72029802 -2.1160514 -1.69456449 -2.81599377 -18.1693724 -0.13710283 -1.26348321 -3.26258268 -11.41647514 -10.2923576 -16.39906903 1.125E-9 2.516E-9 5.6259999999E-9 1.2579999999E-8 2.8129999999E-8 6.29E-8 1.4069999999E-7 3.1449999999E-7 7.033E-7 0.0000015729999999 0.000003516 0.000007863 0.000017579999999 0.00003931 0.000087909999999 34256-82-1 1988 144209643 A A Acetochlor ClCC(=O)N(COCC)c1c(C)cccc1CC Tox21_202445 -NCGC00259499-01 196706335 tox21-ror-cho-viability-p1 set1 4 2.1645835243 -6.769517484 0 -6.769517484 4.9549173134 0.5550609162 0.1480171182 -0.71377468 1.21748667 0.39183942 -1.74211093 -3.53625589 0.02927658 -2.87418841 3.06031232 4.72835239 0 -8.69932045 -4.50702367 -10.64126457 -2.84072366 2.38248122 1.1779999999E-9 2.633E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.00000368 0.00000823 0.000018399999999 0.00004115 0.00009201 55268-74-1 4891 144209148 A A Praziquantel O=C2CN(CC1c3ccccc3CCN12)C(=O)C4CCCCC4 Tox21_201950 -NCGC00259243-01 196706336 tox21-ror-cho-viability-p1 set1 4 -1.47727247 -1.76232767 -4.62756534 -4.94589197 -0.48369198 1.24506963 -1.45727056 -2.6062457 -1.94832921 3.52693834 -0.31908484 1.12360728 -0.89830535 -2.49986748 1.75713825 1.19E-9 2.6619999999E-9 5.951E-9 1.331E-8 2.976E-8 6.654E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.00000372 0.000008317 0.0000186 0.00004159 0.000092989999999 2867-47-2 17869 144208892 AC D 2-(Dimethylamino)ethyl methacrylate CN(C)CCOC(=O)C(=C)C Tox21_201694 -NCGC00091657-02 196706736 tox21-ror-cho-viability-p1 set1 4 -1.54476522 2.56521232 -2.86986711 -3.2276351 -8.71679626 -0.47871992 -4.73268562 -5.55103182 0.20114171 -0.31411251 -9.44609043 3.41199881 0.35110812 -4.03025729 0.02780844 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00257494-01 196727549 tox21-ror-cho-viability-p1 set3 4 4.3277125691 6.0777328079 -2.0777328079 4 4.9549173134 0.3826655683 0.3066854864 2.23326138 0.14974895 -0.99757235 -0.86108086 -10.06477734 -2.72474009 -3.34369976 -1.08520742 -0.79887888 -0.98860935 -1.71021707 8.32389693 1.32708688 2.65193932 -2.88813671 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13680-35-8 83656 144213854 A A 4,4'-Methylenebis(2,6-diethylaniline) CCc1cc(cc(CC)c1N)Cc2cc(CC)c(N)c(CC)c2 Tox21_303549 -NCGC00091009-05 196727129 tox21-ror-cho-viability-p1 set3 4 3.62234217 2.13734991 1.67990204 -3.8557184 -3.38006503 -3.94710578 -14.90031093 -3.18136173 -4.1219014 -0.705742 -3.45539721 5.13121149 1.37008337 1.46883246 4.20969489 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.00003772 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00256590-01 196727534 tox21-ror-cho-viability-p1 set3 4 9.72956313 3.33662077 2.22023933 5.60830749 2.07068094 0.50397953 4.09450365 0.24763341 -0.46502773 4.93409535 1.50217949 2.48132638 5.3250058 6.83607838 5.79658152 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 61702-44-1 22584 144213224 F Fns 2-Chloro-1,4-diaminobenzene sulfate Nc1cc(Cl)c(N)cc1.O=S(=O)(O)O Tox21_302907 -NCGC00256414-01 196727543 tox21-ror-cho-viability-p1 set3 4 -1.55554067 0.36966089 -0.38063039 2.80557179 0.47014748 2.34132964 1.92737322 4.98567723 2.73618373 4.24390346 1.99867032 0.03210184 2.49026418 2.93135118 5.98082187 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-20-2 2727 144213106 A A Chlorpropamide O=S(=O)(NC(=O)NCCC)c1ccc(Cl)cc1 Tox21_302789 -NCGC00256922-01 196727557 tox21-ror-cho-viability-p1 set3 4 8.12034177 1.08394846 1.42953244 0.79979423 1.06401454 0.4423591 -0.42332223 -0.52445892 -1.02489208 4.6335555 1.27623787 0.02380022 0.14118516 5.67104673 4.78578288 9.615E-10 2.15E-9 4.807E-9 1.0749999999E-8 2.404E-8 5.3749999999E-8 1.202E-7 2.6869999999E-7 6.0089999999E-7 0.000001344 0.0000030049999999 0.000006718 0.000015019999999 0.00003359 0.00007512 36631-30-8 169794 144212967 Fns Triisodecyl trimellitate CC(C)CCCCCCCOC(=O)c1cc(C(=O)OCCCCCCCC(C)C)c(cc1)C(=O)OCCCCCCCC(C)C Tox21_302650 -NCGC00015675-08 196727956 tox21-ror-cho-viability-p1 set3 4 -0.34542518 2.79741618 2.62708666 -0.41612575 -3.79653324 2.11831402 5.46636389 2.18401436 4.13314747 3.61718521 0.93997936 -0.06543598 2.94270944 2.60169487 -0.07321811 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00255338-01 196727965 tox21-ror-cho-viability-p1 set3 1.2 5.4482673282 51.7858637883 -1.3081707475 50.4776930408 1.6604358099 0.9541682024 0.0000132591 1.20271319 -9.29089413 -2.22958653 1.68261269 -3.44930244 -2.94013075 7.55781291 -6.20569641 4.24451307 4.97922335 15.76882317 33.90187696 44.75371873 47.52715004 27.5684138 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3383-96-8 5392 144212095 F F Temephos COP(=S)(OC)Oc1ccc(cc1)Sc2ccc(cc2)OP(=S)(OC)OC Tox21_301778 -NCGC00255737-01 196727970 tox21-ror-cho-viability-p1 set3 4 64.9095650958 10.2042881799 -0.7042881799 9.5 4.9549173134 0.4291235877 0.246957734 0.3579302 2.86191091 1.42888346 0.36203471 -2.14765226 -0.34071889 1.28190257 -2.42156427 0.86681394 -4.78624592 2.96364429 -5.17024015 -1.59272716 -0.0330274 7.63666185 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 64-10-8 6145 144211766 A A 1-Phenylurea O=C(N)Nc1ccccc1 Tox21_301449 -NCGC00257565-01 196729706 tox21-ror-cho-viability-p1 set3 4 10.3532307105 9.31286688 -1.31286688 8 1.8851180601 0.7192446222 0.0384244127 -0.57599403 1.42022533 -1.84961187 -1.37104711 -2.04975403 -2.47589555 -2.75036542 -0.51623629 0.36352051 -2.7607224 -0.00909874 -0.52455163 8.86972588 5.50743583 -4.12046744 1.133E-9 2.5339999999E-9 5.6669999999E-9 1.267E-8 2.833E-8 6.335E-8 1.4169999999E-7 3.168E-7 7.083E-7 0.000001584 0.0000035419999999 0.000007919 0.00001771 0.0000396 0.00008854 75-76-3 6396 144207209 FC Tetramethylsilane C[Si](C)(C)C Tox21_200011 -NCGC00257768-01 196729282 tox21-ror-cho-viability-p1 set3 4 27.5283213152 -13.6484518159 0 -13.6484518159 1.3987170999 0.7936639673 0.0091723148 1.36551018 0.88023842 1.43621925 1.83565389 1.21106746 -0.58600994 -6.15273211 1.23321237 -0.21110158 0.48384041 -1.60102756 -1.37628836 -5.66777214 -8.22643699 -12.20704318 1.188E-9 2.657E-9 5.941E-9 1.3279999999E-8 2.971E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016609999999 0.000003713 0.000008303 0.00001857 0.000041509999999 0.000092829999999 144-48-9 3727 144207412 FNS Iodoacetamide ICC(N)=O Tox21_200214 -NCGC00090952-07 196729291 tox21-ror-cho-viability-p1 set3 2.4 62.1889150983 27.2240154159 -1.2240154159 26 2.3531167061 0.8859258946 0.0006219384 -2.47512081 0.29836352 -1.97295325 -1.96533498 -0.91876497 -3.88269566 -4.35334618 2.30711055 -3.59139927 0.86000948 -2.26575642 0 2.74037786 5.59157291 19.03680537 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00257606-01 196729704 tox21-ror-cho-viability-p1 set3 4 -2.50736499 -5.12472415 0.1121774 -3.37221536 -2.53188073 -1.24724364 -1.39712796 -10.12722464 -10.66374391 0 -0.11159945 -6.41232793 -17.54629618 -9.25370244 -5.24893456 1.1689999999E-9 2.614E-9 5.845E-9 1.3069999999E-8 2.922E-8 6.535E-8 1.461E-7 3.267E-7 7.306E-7 0.0000016339999999 0.000003653 0.0000081679999999 0.00001826 0.00004084 0.000091319999999 111-86-4 8143 144207250 Fc Fc 1-Octanamine CCCCCCCCN Tox21_200052 -NCGC00255427-01 196701062 tox21-ror-cho-viability-p1 set1 4 -1.1935877 -2.6231722 -5.15842923 -4.00308035 -3.32118797 -1.30426807 -1.1134436 -6.60008995 -3.81030116 0.41008525 2.71418748 1.02483875 -0.32201951 0.19048984 -7.21681906 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63837-33-2 4578030 144211877 A A Diofenolan CCC3OC(COc2ccc(Oc1ccccc1)cc2)CO3 Tox21_301560 -NCGC00164168-02 196700653 tox21-ror-cho-viability-p1 set1 4 0.59455037 0.72607364 0.40210272 -1.02822212 4.34542176 0.55387888 -0.60851851 1.37294758 0.88601813 -1.07603263 -3.20574351 -0.78832473 0.54003892 -2.41459048 -2.48169221 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00256188-01 196700655 tox21-ror-cho-viability-p1 set1 4 1.68697849 2.23524009 1.80669153 3.7321137 -0.21005375 0.49075299 -0.9098319 2.09404481 -0.81854692 0.59926918 1.88618059 1.99888359 1.15586236 2.34281364 0.01045026 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 764-99-8 12998 144211581 F Bc {2-[2-(Ethenyloxy)ethoxy]ethoxy}ethene C=COCCOCCOC=C Tox21_301264 -NCGC00255430-01 196700666 tox21-ror-cho-viability-p1 set1 4 -0.59387935 -3.82516356 0.79589474 0.78706948 -1.0691541 0.65749962 -0.62240239 -2.36464331 -0.13051228 -0.89135194 3.34712035 4.68899876 -0.87970088 3.52416192 -0.25840173 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 134-84-9 8652 144211946 A A 4-Methylbenzophenone Cc1ccc(cc1)C(=O)c2ccccc2 Tox21_301629 -NCGC00254376-01 196699432 tox21-ror-cho-viability-p1 set1 4 0.64378688 0.02964677 0.72286319 0.25563843 -1.18813892 1.54032209 3.8680707 3.46981996 -1.64490478 2.1385959 -0.90013539 0.66083404 5.21209759 2.54765313 -1.67453214 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.00000369 0.000008252 0.000018449999999 0.000041259999999 0.00009226 134002-60-1 9956127 144210778 F CP-085958 O=C(O)c1cccc(c1)C[C@@H]2COc3ccc(cc3[C@@H]2O)OCc4nc5cc(F)ccc5s4 Tox21_300460 -NCGC00163953-03 196699023 tox21-ror-cho-viability-p1 set1 -2.2 64.8164987557 -54.2990872754 -0.370072415 -54.6691596904 3.5722481694 0.9589657446 0.0000028291 4.63317893 -0.81711669 -0.20781202 -1.95558775 -3.74003316 -4.05489724 2.93110503 0.3561593 -1.31711702 0.26093739 -2.97441579 1.67260247 -2.00564909 -10.99270362 -44.06754522 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00254535-01 196699426 tox21-ror-cho-viability-p1 set1 4 -4.10971419 1.45039636 -5.18466528 -1.86474453 -0.04744592 1.15582308 2.03496877 1.79692329 -2.28455832 2.08914264 2.34074577 -3.03692002 -0.26416484 -1.26453585 3.62328516 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 149062-75-9 18992283 144210745 A A PharmaGSID_47259 Cl.Clc2cc(Cl)cc1N=C3CCCCCN3Cc12 Tox21_300427 -NCGC00254339-01 196699427 tox21-ror-cho-viability-p1 set1 -1.1 7.6958821542 -71.417312648 1.078985096 -70.338327552 1.24751 0.9563243835 0.00000399 0.43260351 -0.20288968 0.57516687 2.20473337 4.36865144 1.47722358 1.47966951 2.26634543 -9.56931082 -13.67195295 -17.39221845 -28.30015328 -53.90475375 -74.8414976 -58.04302617 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 643-79-8 4807 144210722 CC D 1,2-Benzenedicarboxaldehyde O=Cc1ccccc1C=O Tox21_300404 -NCGC00255054-01 196699441 tox21-ror-cho-viability-p1 set1 4 -0.67377225 -0.01202747 -0.28833183 -2.20447704 -0.18227843 0.21944335 2.71814343 -1.41447461 0.38559641 -2.50926333 -1.72155523 -0.44120909 0.09864232 3.80087557 2.41613798 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 23135-22-0 31657 144211473 A A Oxamyl O=C(C(=N\OC(=O)NC)\SC)N(C)C Tox21_301156 -NCGC00091380-04 196699445 tox21-ror-cho-viability-p1 set1 4 76.9588215421 14.1899132879 -0.1899132879 14 4.9549173134 0.9035197402 0.0002802886 -1.82492774 -1.42110544 -0.29286106 -0.0953685 0.33951274 0.32049604 0.15361737 -0.19029982 -0.25832239 -0.60135706 -0.63730743 0.49069105 1.78378924 -0.76506922 10.45137558 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00254132-01 196699847 tox21-ror-cho-viability-p1 set1 4 -2.42211569 0.30693467 0.47472007 -2.09865952 0.46638106 -1.41536615 -1.74227705 1.0773631 -0.44219903 -2.08133642 -3.42346456 1.12505105 -2.71655869 -1.21026061 1.97877705 1.062E-9 2.374E-9 5.309E-9 1.187E-8 2.654E-8 5.935E-8 1.327E-7 2.968E-7 6.636E-7 0.000001484 0.000003318 0.000007419 0.00001659 0.0000371 0.00008295 NOCAS_47385 60196410 144210577 A A SAR377142 CC(C)N4CCC(NC(=O)c3cc1cc(OCCOC)ncc1n3CC(=O)Nc2ccc(Cl)cn2)CC4.CC(=O)O Tox21_300257 -NCGC00254568-01 196699864 tox21-ror-cho-viability-p1 set1 4 76.9588215421 12.5549138999 -0.5549138999 12 4.9549173134 0.3634534656 0.3085031959 -1.92340675 -0.18058325 -2.22063526 -0.84733246 -1.77054601 0.12853336 -2.71735122 0.31843298 -0.77220555 -0.77093806 10.59674591 1.13016961 -2.60102299 -2.96242825 9.61321698 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 83-42-1 6740 144210977 A Ac 1-Chloro-2-methyl-3-nitrobenzene Cc1c(cccc1Cl)[N+]([O-])=O Tox21_300660 -NCGC00015444-07 196717958 tox21-ror-cho-viability-p1 set2 4 0.0530803864 8.4223531559 -8.9223531559 -0.5 2.1210667061 0.7485019138 0.0201305209 -11.47293354 -9.06969096 -5.73032607 -6.97293263 -12.01862763 -5.04140774 -4.34178532 -0.70513926 -0.63589669 -0.05644308 1.49933005 -0.39403104 0.02564086 -5.76118741 0.12773005 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67227-56-9 3341 170465321 A Fenoldopam Oc1ccc(cc1)C3CNCCc2c3cc(O)c(O)c2Cl Tox21_110152_1 -NCGC00257479-01 196718356 tox21-ror-cho-viability-p1 set2 4 -0.26431643 -0.16265192 0.5440944 1.20944895 1.99577755 2.14008752 0.17589043 2.60522977 2.27061274 1.29830289 -0.61975519 5.03163352 2.06388079 -0.26479199 0.50979765 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 1118-46-3 14236 144213888 F A Butyltin trichloride CCCC[Sn](Cl)(Cl)Cl Tox21_303583 -NCGC00242597-01 196717537 tox21-ror-cho-viability-p1 set2 4 0.71641523 2.92969659 1.48411616 1.10600745 0.38735102 -0.04608371 1.03012984 2.63112686 -1.03451328 -1.68433288 -0.54862308 -0.11313074 1.50317506 3.04198109 1.84581483 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 361442-04-8 11243969 144206461 F F Saxagliptin O=C([C@@H](N)C13CC2CC(C1)CC(O)(C2)C3)N5[C@H](C#N)C[C@@H]4C[C@@H]45 Tox21_112908 -NCGC00181788-01 196717953 tox21-ror-cho-viability-p1 set2 2.1 26.6032120037 103.7740775256 2.723970865 106.4980483906 2.7867712143 0.9956827109 0 2.50090908 0.16303601 0.10938554 2.34255219 5.10449833 4.01771515 3.12457093 2.74933679 0.43808302 3.65075552 3.75661135 5.05346586 7.40887737 37.85288433 87.86967689 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 111696-23-2 5485221 144206472 A B Cefetamet pivoxil HCl Cl.CC=3CS[C@H]2N(C(=O)[C@H]2NC(=O)C(=N\OC)\c1csc(N)n1)C=3C(=O)OCOC(=O)C(C)(C)C Tox21_112919 -NCGC00256333-01 196718362 tox21-ror-cho-viability-p1 set2 4 43.2771256911 -18.113555048 -2 -20.113555048 0.7999999999 0.557478483 0.1301495105 0.31262871 0.32966032 -3.06022663 -2.64575616 -2.01105599 -7.16062144 -9.48922384 -3.73330906 -2.92729334 -6.52717563 -2.76149482 -2.27394924 -8.29296239 -10.3134103 -15.92796254 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 137-09-7 8715 144213334 Ac Fns 2,4-Diaminophenol dihydrochloride Cl.Cl.Nc1ccc(O)c(N)c1 Tox21_303017 -NCGC00256596-01 196718367 tox21-ror-cho-viability-p1 set2 4 -1.21238665 -0.64393002 -0.45932284 0.10955177 0.23926643 0.26965261 0.15774159 2.87401047 -0.3286111 -1.36812167 -0.82783725 0.16039975 -5.34228194 -6.03602818 -5.42828082 1.038E-9 2.321E-9 5.191E-9 1.161E-8 2.595E-8 5.8039999999E-8 1.2979999999E-7 2.902E-7 6.489E-7 0.000001451 0.000003244 0.0000072539999999 0.000016219999999 0.00003627 0.00008111 2465-27-2 17170 144213319 B D Auramine hydrochloride Cl.CN(C)c1ccc(cc1)C(=N)c2ccc(cc2)N(C)C Tox21_303002 -NCGC00256519-01 196718372 tox21-ror-cho-viability-p1 set2 4 3.45797758 1.28076048 3.35096408 1.40699888 -0.32447767 5.47416552 1.67553144 5.20000344 4.64891463 1.00990828 8.00536114 4.02039352 5.36326035 3.26851812 0.06109522 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1083-57-4 14130 144213206 A A 3-Hydroxy-4-butyrophenetidide CCOc1ccc(cc1)NC(=O)CC(C)O Tox21_302889 -NCGC00090987-03 196718373 tox21-ror-cho-viability-p1 set2 4 0.80708079 2.27116452 0.50724754 4.30526428 -6.53888227 1.840021 0.34770008 0.6296441 -5.14805369 -1.57747703 0.46913205 4.27471801 0.2463185 3.10259042 0.07211433 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00257092-01 196718771 tox21-ror-cho-viability-p1 set2 4 2.33761562 2.70474197 0.09276336 2.76611132 1.52412969 0.242216 1.04968966 4.42140919 0.83330154 -0.55638431 1.03651945 2.43987693 2.08546887 3.60831397 1.91205632 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-15-6 1110 144213564 A A Butanedioic acid O=C(O)CCC(=O)O Tox21_303247 -NCGC00257497-01 196718773 tox21-ror-cho-viability-p1 set2 4 0.0013685429 8.611874176 -8.111874176 0.5 1.0999999999 0.4472244498 0.2503324932 -5.09322848 -1.35620277 -1.10978656 0.0486163 -0.69981515 0.00576161 0.59519835 0.38076254 -0.79812261 1.01692988 -1.42634795 5.99943425 1.08067529 -0.24325311 -1.79982419 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 138472-01-2 6437875 144213910 D FR900409 CC(C(=C/C(=N\O)C(=O)N)/CC)[N+]([O-])=O Tox21_303605 -NCGC00257725-01 196715489 tox21-ror-cho-viability-p1 set2 4 1.7176384584 -4.5210397799 2.5 -2.0210397799 1.6435888099 0.3207390906 0.3506451966 -1.14034839 2.04334226 2.69434772 0.83326178 0.62455391 10.68818991 2.01415218 -0.27281127 2.84035959 -0.02512606 -0.74719006 -2.52563518 0.96837572 -5.01753315 -1.4467081 1.177E-9 2.631E-9 5.883E-9 1.316E-8 2.942E-8 6.578E-8 1.471E-7 3.289E-7 7.354E-7 0.0000016439999999 0.0000036769999999 0.0000082219999999 0.00001839 0.00004111 0.00009193 52253-69-7 40301 144207369 A B 2-Amino-4-phenylthiazole hydrobromide hydrate Br.O.Nc1nc(cs1)c2ccccc2 Tox21_200171 -NCGC00258645-01 196702710 tox21-ror-cho-viability-p1 set1 4 68.729149849 -17.594755548 2 -15.594755548 4.9549173134 0.8701142162 0.0011749905 2.08559097 2.44731937 -0.17661451 4.78975072 0.38678255 1.56929567 1.90536367 2.62274991 1.87941988 0.61023178 2.34702703 3.75270943 -0.49687339 0.90367272 -12.16229629 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.61E-8 1.4779999999E-7 3.305E-7 7.3899999999E-7 0.0000016529999999 0.0000036949999999 0.000008263 0.00001848 0.00004131 0.000092379999999 128-37-0 31404 144208291 A B Butylated hydroxytoluene CC(C)(C)c1cc(C)cc(c1O)C(C)(C)C Tox21_201093 -NCGC00257659-01 196701872 tox21-ror-cho-viability-p1 set1 -2.1 53.2108297004 -74.9682957798 -5.905894791 -80.8741905708 0.9999999999 0.8679028006 0.0012458299 -1.16809923 -2.98919963 -5.67948452 -1.74681157 -13.16359615 -11.62857909 -6.64887978 -12.90602339 2.79062172 -11.60853883 -15.54184974 -15.22907343 -17.7988091 -32.55347622 -61.26832619 1.157E-9 2.587E-9 5.784E-9 1.293E-8 2.892E-8 6.467E-8 1.446E-7 3.234E-7 7.2309999999E-7 0.000001617 0.000003615 0.000008084 0.000018079999999 0.00004042 0.000090379999999 4901-51-3 21013 144207303 A A 2,3,4,5-Tetrachlorophenol Clc1c(O)cc(Cl)c(Cl)c1Cl Tox21_200105 -NCGC00257826-01 196701891 tox21-ror-cho-viability-p1 set1 4 0.65634824 0.32374784 -4.15311426 -2.06225944 -0.45066371 -1.24292977 4.10213498 -2.13793607 -1.17677096 4.16353354 -6.17431697 6.1650252 -3.53855554 -3.87137505 3.4139632 1.158E-9 2.5899999999E-9 5.792E-9 1.2949999999E-8 2.896E-8 6.475E-8 1.448E-7 3.238E-7 7.24E-7 0.0000016189999999 0.00000362 0.0000080939999999 0.0000181 0.00004047 0.000090499999999 104-55-2 307 144207470 A A 3-Phenylprop-2-enal O=CC=Cc1ccccc1 Tox21_200272 -NCGC00258131-01 196702308 tox21-ror-cho-viability-p1 set1 4 0.0017228934 12.4177285399 -9.4177285399 3 2.9522712143 0.7140712556 0.0330498882 -6.18144045 0.45291478 1.70272927 4.01410587 0.68838475 4.54802421 3.9337421 1.64436244 2.63476363 -0.07093509 4.79184987 2.24428073 2.69337376 2.19821715 5.17239602 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 65039-09-0 2734160 144207775 A A 1-Ethyl-3-methylimidazolium chloride [Cl-].C[n+]1ccn(CC)c1 Tox21_200577 -NCGC00258093-01 196702712 tox21-ror-cho-viability-p1 set1 4 68.1016469048 -20.297254252 2 -18.297254252 4.9549173134 0.8234629673 0.0047156691 -0.25484139 -1.2810226 0.29207673 -0.75362477 0.83330441 3.51270796 4.06473784 4.47354851 3.13779356 0.76912981 2.20196396 1.23400153 4.08461691 2.91729031 -14.83104521 1.173E-9 2.6229999999E-9 5.865E-9 1.311E-8 2.9319999999E-8 6.557E-8 1.466E-7 3.2779999999E-7 7.3309999999E-7 0.0000016389999999 0.000003665 0.0000081959999999 0.00001833 0.00004098 0.00009164 10161-33-8 25015 144207737 A A 17beta-Trenbolone O=C3C=C4CC[C@@H]1C(C=C[C@]2(C)[C@@H](O)CC[C@@H]12)=C4CC3 Tox21_200539 -NCGC00090987-03 196702714 tox21-ror-cho-viability-p1 set1 4 1.7228934059 -9.719166572 -2 -11.719166572 0.5 0.433441438 0.2410834962 -1.22734687 -6.61012755 -3.18706928 3.1575562 -3.94251218 -3.71983433 -10.89148596 -0.45130577 -2.60504062 -6.85633377 -11.43263881 -9.7757062 -10.11062389 -7.92419877 -9.55010337 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00258482-01 196702716 tox21-ror-cho-viability-p1 set1 4 -9.11040952 -2.69766029 -12.25454252 -0.11054095 -10.86226963 -10.27768945 -11.86455576 -7.84445752 -5.46721052 -10.80037575 -11.29378613 -9.73543825 -10.88955788 -7.72602618 -12.97297825 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.3289999999E-7 7.445E-7 0.000001665 0.0000037219999999 0.000008324 0.00001861 0.00004162 0.00009306 55566-30-8 41478 144208126 Bc Tetrakis(hydroxymethyl)phosphonium sulfate OC[P+](CO)(CO)CO.[O-]S([O-])(=O)=O.OC[P+](CO)(CO)CO Tox21_200928 -NCGC00258510-01 196702725 tox21-ror-cho-viability-p1 set1 4 -9.41330525 0.70157903 -1.54834158 -5.19062484 -12.1002532 1.1321271 -9.97539889 -6.67186683 -4.61499923 -7.99386578 -9.66222672 -7.45605291 -6.52656755 -4.52804029 -5.55882038 1.221E-9 2.7309999999E-9 6.107E-9 1.366E-8 3.054E-8 6.8279999999E-8 1.5269999999E-7 3.4139999999E-7 7.634E-7 0.000001707 0.000003817 0.000008535 0.00001909 0.00004268 0.00009543 107-14-2 7856 144208155 A Bc Chloroacetonitrile ClCC#N Tox21_200957 -NCGC00260102-01 196703116 tox21-ror-cho-viability-p1 set1 4 -2.62044435 -0.97418537 -4.44735434 -0.37423951 -2.06352934 -2.50846759 -7.16643683 -6.00458523 -1.96028572 -0.03528349 1.64706079 -2.58000279 0.92712628 -0.13796292 -1.65674612 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9569999999E-8 6.613E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003697 0.000008266 0.00001848 0.00004133 0.000092409999999 89-08-7 6962 144209751 F 4-Sulfophthalic acid OS(=O)(=O)c1cc(c(cc1)C(=O)O)C(=O)O Tox21_202553 -NCGC00260625-01 196703131 tox21-ror-cho-viability-p1 set1 4 1.33881828 -0.20562492 0.56261311 6.40944432 0.13909928 -0.38232511 5.96976296 5.69201696 5.51089722 1.26274369 5.01937618 0.9149453 1.14576718 2.03229363 3.74647317 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49521 144210278 M M NTP Mix101 ER1 10-EQC Tox21_203080 -NCGC00255654-01 196701082 tox21-ror-cho-viability-p1 set1 4 0.92901451 -0.14406394 0.24955614 3.87517811 -0.40438937 1.91657202 -0.75288303 2.41354564 1.07750047 2.75806069 -0.33030771 -0.87799689 0.16204205 3.27060231 1.80941766 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67-73-2 6215 144212681 A A Fluocinolone acetonide OCC(=O)[C@]45OC(C)(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3C[C@H](F)C1=CC(=O)C=C[C@@]12C Tox21_302364 -NCGC00255241-01 196701063 tox21-ror-cho-viability-p1 set1 4 0.55217561 2.51249508 -1.01679928 -1.59723764 -0.73706304 -0.18782137 -0.13116528 0.14777921 -1.94624401 -1.72028332 5.42512272 0.25399346 1.17593598 -1.80315716 2.83383651 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51000-52-3 22833395 144211713 Z Fns Vinyl neodecanoate C=COC(=O)C(C)(CCC(C)C)CC Tox21_301396 -NCGC00090750-04 196724535 tox21-ror-cho-viability-p1 set3 4 0.0219549022 5.8856056879 -4.3856056879 1.5 3.9899729863 0.5619788908 0.1427411127 -5.37763949 0.14378574 -8.23800474 -3.60779914 -0.15530783 2.79636209 -0.49972819 -0.79879785 -0.61872783 4.93626378 -0.22452192 4.02232102 2.71137798 2.17300458 -10.17936985 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00260220-01 196724536 tox21-ror-cho-viability-p1 set3 4 2.7389347972 -4.410989116 2 -2.410989116 4.9549173134 0.3283535474 0.3592531611 -2.32385566 1.49249376 -2.13857689 4.7794328 0.53409583 6.16956597 1.54366021 0.67633279 5.10209373 3.50738335 -2.51907173 -2.88170431 0.97336176 -4.09249093 6.43439069 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3079999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.000008269 0.000018489999999 0.00004135 0.00009245 879866-95-2 60196388 144209870 A A 1-Methyl-1-propylpiperidinium tetrafluoroborate CCC[N+]1(C)CCCCC1.F[B-](F)(F)F Tox21_202672 -NCGC00259586-01 196724938 tox21-ror-cho-viability-p1 set3 -2.4 15.1836929739 -26.606704464 17 -9.606704464 4.9549173134 0.7523191295 0.0187607777 10.88273815 4.65012848 6.94272603 15.37099502 18.13352882 18.31414055 24.59021638 22.25868552 17.00089505 20.84889085 24.25272311 19.46890688 -3.06235774 -10.92225372 -7.96011628 1.1689999999E-9 2.614E-9 5.844E-9 1.3069999999E-8 2.922E-8 6.5339999999E-8 1.461E-7 3.267E-7 7.305E-7 0.0000016329999999 0.000003653 0.000008167 0.00001826 0.00004084 0.000091309999999 88-06-2 6914 144209235 A A 2,4,6-Trichlorophenol Clc1cc(Cl)cc(Cl)c1O Tox21_202037 -NCGC00260442-01 196724943 tox21-ror-cho-viability-p1 set3 4 0.0015370921 14.876948936 -13.876948936 1 4.9549173134 0.4437672788 0.2311218082 -10.73079078 0.81499777 -5.83003631 2.57692256 2.66384157 -3.6258721 3.43013023 5.10686952 -1.36292015 0.68113663 3.69366373 -1.17039542 3.79955211 -2.36441937 6.5128911 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.00009229 39511-08-5 1549521 144210094 A F (E)-3-(2-Furyl)acrolein O=C\C=C\c1ccco1 Tox21_202896 -NCGC00259024-01 196721254 tox21-ror-cho-viability-p1 set3 4 -7.92145373 -6.8491963 -4.01568222 -4.61061145 -3.34029851 -5.73801528 -6.20129008 -3.86907015 -8.03657309 -4.04412528 -4.99816582 -6.65933892 -5.64355073 -6.11558644 -6.20336822 1.195E-9 2.6729999999E-9 5.9769999999E-9 1.337E-8 2.989E-8 6.683E-8 1.494E-7 3.341E-7 7.4709999999E-7 0.000001671 0.000003736 0.000008353 0.000018679999999 0.00004177 0.00009339 13826-35-2 26295 144208671 A A 3-Phenoxybenzenemethanol OCc2cc(Oc1ccccc1)ccc2 Tox21_201473 -NCGC00254292-01 196720452 tox21-ror-cho-viability-p1 set3 4 -6.90618296 -8.72116563 -0.28762476 4.45107218 0.53587989 -0.09333019 -9.20282418 3.54471579 -7.42073061 -7.41030448 -5.48454654 -7.47947475 -7.2010752 0.45555781 -1.96167549 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 107-21-1 174 144210954 AC A Ethylene glycol OCCO Tox21_300637 -NCGC00253927-01 196720850 tox21-ror-cho-viability-p1 set3 1.4 0.0108707225 20.606418816 -20.606418816 0 0.5 0.8826685221 0.0007132753 -14.92557825 -17.17201568 -10.73611551 -5.56912085 -9.83667016 -6.29589105 -7.21614316 -2.63132993 0.23326284 -1.42049507 -0.95564988 0.43051457 -1.66676037 0.40592487 -1.13296191 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-39-0 6595 144210321 B Methacrylamide C=C(C)C(N)=O Tox21_300001 -NCGC00254578-01 196720868 tox21-ror-cho-viability-p1 set3 4 0.4855773367 28.7041082839 -19.2041082839 9.5 0.2 0.6741146288 0.0508020132 -13.87491264 -17.25342357 -7.55094944 -3.19234651 -6.73878265 -9.50733775 -8.65691508 -7.00740115 -0.1273272 -4.62021412 -2.78466266 -4.49805044 0.22306339 -0.91780235 6.18537837 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-70-5 7617 144210987 FC Triallylamine C=CCN(CC=C)CC=C Tox21_300670 -NCGC00259758-01 196721256 tox21-ror-cho-viability-p1 set3 4 -10.05810759 -10.0963982 -7.79502602 1.33405004 -11.54209821 -6.39088992 -8.70970514 -5.32727398 -10.43689109 -10.5727341 -16.51194612 -14.82645392 -12.30749471 -1.81611931 -8.24737511 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004127 0.00009229 334-48-5 2969 144209407 A A Decanoic acid O=C(O)CCCCCCCCC Tox21_202209 -NCGC00259482-01 196721263 tox21-ror-cho-viability-p1 set3 4 -17.78203196 -13.89261308 -0.58824438 -9.91043154 -10.36042855 -23.36743331 -9.00217209 -10.29917071 -9.48129212 -5.80803794 -13.58847342 -13.05020932 -10.10307589 -3.85902023 -3.08086038 1.2229999999E-9 2.7349999999E-9 6.115E-9 1.367E-8 3.058E-8 6.837E-8 1.529E-7 3.4189999999E-7 7.6439999999E-7 0.000001709 0.000003822 0.000008547 0.000019109999999 0.000042729999999 0.000095549999999 66-25-1 6184 144209131 D Hexanal CCCCCC=O Tox21_201933 -NCGC00258997-01 196721272 tox21-ror-cho-viability-p1 set3 4 24.3860225971 6.9882077719 -4.9882077719 2 4.9549173134 0.5499465646 0.1373993777 -6.00489862 -4.52874699 -3.37763079 -10.40683981 -2.79915487 -6.23105521 -3.6452667 -6.59266616 -5.99737938 -1.90530159 -6.10693431 -2.4198802 -4.37027314 3.53960608 0.55528508 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.00009231 919-30-2 13521 144208644 FNS 3-Aminopropyltriethoxysilane CCO[Si](OCC)(OCC)CCCN Tox21_201446 -NCGC00259048-01 196721654 tox21-ror-cho-viability-p1 set3 4 4.2749536591 9.3080142439 -7.3080142439 2 2.0478617061 0.8189669463 0.0052719179 -7.49736223 -5.93819323 -4.36788153 -6.86607798 -5.85384727 -7.27258846 -9.71283181 -9.27726112 -11.09001187 -3.9369565 -3.54035611 -0.45608364 2.66920064 2.44023398 0.60084614 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 634-66-2 12463 144208695 A Ac 1,2,3,4-Tetrachlorobenzene Clc1ccc(Cl)c(Cl)c1Cl Tox21_201497 -NCGC00254253-01 196719634 tox21-ror-cho-viability-p1 set3 4 -12.76200031 -18.60768142 -10.42452192 -5.20328243 -12.39549159 -10.19152294 -4.47900386 -4.9061252 -3.52518014 -6.21000677 -0.42807568 -1.34971536 -6.9174079 -19.02844675 -21.5351206 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 203942-49-8 9810771 144210770 A A UK-337312 [O-]S(C)(=O)=O.FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N(C)C[C@@H](CC[N+]23CCC(CC2)(CC3)C4CCCCC4)c5ccc(Cl)c(Cl)c5 Tox21_300452 -NCGC00257022-01 196718776 tox21-ror-cho-viability-p1 set2 -3 42.7850514821 -36.6026538519 -3 -39.6026538519 4.9549173134 0.914350876 0.0001473488 -5.28028008 -4.87497351 -4.26735213 0.13227723 -3.14328748 -7.20185668 0.39341909 1.18162025 -4.39696547 -2.15266114 -0.47538505 -6.16223606 -4.13635195 -6.93205885 -34.66887821 7.9629999999E-10 1.781E-9 3.982E-9 8.9029999999E-9 1.991E-8 4.452E-8 9.954E-8 2.226E-7 4.9769999999E-7 0.000001113 0.000002489 0.000005565 0.00001244 0.000027819999999 0.00006221 20830-75-5 2724385 144213367 A A Digoxin O=C1C=C(CO1)[C@H]2CC[C@@]8(O)[C@]2(C)[C@H](O)C[C@H]4[C@H]8CC[C@@H]3C[C@H](CC[C@@]34C)O[C@@H]7O[C@H](C)[C@@H](O[C@H]6C[C@H](O)[C@H](O[C@H]5C[C@H](O)[C@H](O)[C@@H](C)O5)[C@@H](C)O6)[C@@H](O)C7 Tox21_303050 -NCGC00256757-01 196718790 tox21-ror-cho-viability-p1 set2 4 43.2771256911 -13.071496576 0.5 -12.571496576 3.0654483358 0.8669987659 0.0013195174 0.23418297 2.35441268 1.05703812 2.32100943 -0.81966722 -0.64411511 -0.41997181 -0.78769576 1.26555104 0.36748294 -1.09849784 -1.41942397 1.57093696 -6.24233076 -11.30958048 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 34161-23-4 161803 144212786 A A Fipexide hydrochloride Cl.Clc1ccc(cc1)OCC(=O)N2CCN(CC2)Cc3ccc4OCOc4c3 Tox21_302469 -NCGC00254987-01 196719633 tox21-ror-cho-viability-p1 set3 4 12.51421416 11.87750004 0.80484358 4.3185444 -0.13382751 3.40335604 7.09740743 3.11465335 5.59207459 5.33901943 5.38016882 -0.02604164 -3.0882511 6.31191383 4.94069471 5.309E-11 1.187E-10 2.654E-10 5.935E-10 1.327E-9 2.968E-9 6.636E-9 1.484E-8 3.3179999999E-8 7.419E-8 1.659E-7 3.71E-7 8.295E-7 0.0000018549999999 0.000004147 513-53-1 10560 144211403 FNS 2-Butanethiol CC(S)CC Tox21_301086 -NCGC00090721-03 196703524 tox21-ror-cho-viability-p1 set1 4 -0.45880199 0.40139538 -0.58162308 -0.19180526 0.25031137 0.38095846 0.18973549 -0.17950187 4.02074885 1.12106067 1.63274225 0.74731732 2.1569227 -1.71396767 5.91258525 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00357270-01 196703115 tox21-ror-cho-viability-p1 set1 4 1.29441841 0.33326865 -0.53135653 1.05667423 0.3054204 -3.27160251 9.86459749 3.43072488 7.41769682 5.44894833 1.76016775 -0.76827542 0.2964565 -0.35710229 5.42659279 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 927-62-8 13563 251919815 Fns N,N-Dimethylbutylamine CCCCN(C)C Tox21_303901 -NCGC00260366-01 196703516 tox21-ror-cho-viability-p1 set1 -2.4 62.0019276794 -35.2108234839 -2 -37.2108234839 2.7202212143 0.9141261108 0.0001496059 -5.9715205 -4.36226406 -0.52241798 -1.94799744 -2.24573419 -4.60262404 0.53394667 2.50513429 -0.87686375 -1.91879418 -1.53045222 -4.57531304 -3.67489491 -10.97621771 -28.50901957 1.194E-9 2.6689999999E-9 5.969E-9 1.335E-8 2.9839999999E-8 6.6729999999E-8 1.4919999999E-7 3.337E-7 7.4609999999E-7 0.000001668 0.00000373 0.0000083409999999 0.00001865 0.00004171 0.00009326 2973-80-0 387179 144210018 Ac Ac Benzaldehyde,2-bromo-5-hydroxy- O=Cc1cc(O)ccc1Br Tox21_202820 -NCGC00356945-01 196703522 tox21-ror-cho-viability-p1 set1 4 -3.85347649 -2.0233866 -5.36058907 5.2722033 -5.13150055 -2.53892475 -7.43523821 6.19090767 -5.43165809 -0.33658697 -2.7666543 -4.8167203 0.36766769 0.38201494 7.14701341 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-91-3 110862 251919656 A 2,6-Dimethyl morpholine CC1CNCC(C)O1 Tox21_303829 -NCGC00357038-01 196703926 tox21-ror-cho-viability-p1 set1 4 5.49407625 -0.06166476 9.27017541 0.67651237 3.95474985 0.71534821 8.29236667 -1.18036072 1.21814712 -0.60736106 14.2284087 4.33393986 9.37396546 0.43291804 0.53394878 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 615-20-3 11987 251919920 A 2-Chlorobenzothiazole Clc1nc2ccccc2s1 Tox21_303729 -NCGC00090701-06 196703551 tox21-ror-cho-viability-p1 set1 4 6.09826524 0.27597243 2.67096176 6.95156781 -10.06448514 -2.33387658 0.43135698 0.08244192 5.0520104 -0.47058159 2.72391583 2.74946915 -2.07435032 0.60188493 0.22933478 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00260392-01 196703536 tox21-ror-cho-viability-p1 set1 4 -0.17239241 0.310927 0.695713 -3.42318379 0.37369086 0.44174038 1.32383125 -2.6692229 -0.0832069 0.34077953 -1.48109257 0.13048875 2.1866556 1.28257263 -0.23698314 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.626E-8 1.482E-7 3.3129999999E-7 7.408E-7 0.000001656 0.000003704 0.000008282 0.00001852 0.000041409999999 0.000092599999999 55-48-1 60196398 144210044 A A Atropine sulfate anhydrous (2:1) salt CN3[C@@H]1CC[C@H]3C[C@H](C1)OC(=O)C(CO)c2ccccc2.O=S(=O)(O)O.OCC(c1ccccc1)C(=O)O[C@H]2C[C@H]3CC[C@@H](C2)N3C Tox21_202846 -NCGC00091775-03 196703541 tox21-ror-cho-viability-p1 set1 -2.2 54.4826732819 -48.056083866 -1.878107156 -49.934191022 2.2526478767 0.9131620099 0.0001578511 -0.37063435 -2.68208289 -4.46101666 5.19456321 -0.31394137 -4.60681854 0.2195671 -3.10897916 0.90409685 -0.45012043 -8.94743344 -3.84436892 -5.03404689 -18.60449162 -38.58650835 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00357200-01 196703547 tox21-ror-cho-viability-p1 set1 4 -0.11858245 3.43917762 4.07017019 -0.21078504 2.10148227 2.98240754 -1.31194986 3.46822497 2.10962228 2.29949503 3.11762776 4.39074196 2.83415856 0.24673978 2.84215532 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1609-47-8 3051 251919875 F Diethyl dicarbonate CCOC(=O)OC(=O)OCC Tox21_303976 -NCGC00257877-01 196703957 tox21-ror-cho-viability-p1 set1 4 -16.35183534 -3.32859064 -1.1396178 -4.9130702 -12.0741437 -9.56401875 -16.90816094 -7.62423708 -10.27312966 -10.75395659 -11.57262456 -4.24881421 -21.14037695 -9.75111854 -1.0873427 1.187E-9 2.6549999999E-9 5.937E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.3189999999E-7 7.421E-7 0.000001659 0.0000037099999999 0.000008297 0.00001855 0.000041479999999 0.00009276 523-87-5 10660 144207521 M M Dimenhydrinate CN(C)CCOC(c1ccccc1)c2ccccc2.O=C2c1nc(Cl)nc1N(C)C(=O)N2C Tox21_200323 -NCGC00356951-01 196703969 tox21-ror-cho-viability-p1 set1 4 3.01164133 2.47680901 0.92887228 4.84269439 -1.7601504 -1.21251046 -1.08602908 0.20874737 2.27225474 1.24396773 -0.23765232 -1.29339473 0.99324771 -0.3550853 2.7646041 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17321-47-0 87048 251919693 A O,O-Dimethyl phosphoramidothioate NP(=S)(OC)OC Tox21_303881 -NCGC00090970-03 196704379 tox21-ror-cho-viability-p1 set1 4 0.65730192 1.04479829 -2.20271771 0.93371613 -1.48330594 -2.19141327 0.21264407 -0.15498931 -4.11445501 -10.85045399 -3.42689478 0.22108273 0.05242059 0.95039599 -1.71562396 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 110-16-7 444266 170465983 Z Maleic acid O=C(O)/C=C\C(=O)O Tox21_113105_1 -NCGC00015426-09 196704381 tox21-ror-cho-viability-p1 set1 4 0.88284152 -3.44185072 -2.56927046 1.13667664 0.13304199 -1.77059932 -1.91948946 -0.42496387 -3.3736395 -0.6708038 -2.22849403 -0.76415576 -0.9151973 -1.67844505 0.71885209 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80288-49-9 3433 170466557 A Furafylline Cc2nc3N(Cc1ccco1)C(=O)N(C)C(=O)c3n2 Tox21_110143_1 -NCGC00164480-02 196725365 tox21-ror-cho-viability-p1 set3 4 3.33089863 4.6700032 4.82542527 -2.68366243 0.47597035 21.0305522 14.24199472 10.59860589 12.48671628 9.04306439 17.61471018 3.87907834 -1.61065434 10.83260917 6.93084657 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1954-79-6 71808 170466252 F Mecloralurea CNC(=O)NC(O)C(Cl)(Cl)Cl Tox21_112123_1 -NCGC00260630-01 196724442 tox21-ror-cho-viability-p1 set3 1.4 0.0018833632 17.703745716 -15.703745716 2 0.6999999999 0.7345608682 0.0246181297 -12.25312143 -6.81451089 -1.96778402 -9.10639329 2.16851418 -1.97034759 1.48720757 3.13801732 1.24583467 1.70988858 0.54480603 1.19152702 0.45369687 2.17368805 5.36382126 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49526 144210283 M M NTP Mix106 ER1 10-EQC Tox21_203085 -NCGC00357003-01 196724444 tox21-ror-cho-viability-p1 set3 4 -1.07667715 5.00749919 4.32569804 -9.6235414 -6.42766296 -7.50194107 -6.19242879 -1.06198481 -1.68451678 -3.95990915 -6.69635685 -6.95575123 3.34472084 1.3355945 4.6837357 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56507-37-0 41909 251919737 A Diketometribuzin O=C1N(N)C(=O)NN=C1C(C)(C)C Tox21_303948 -NCGC00259844-01 196724950 tox21-ror-cho-viability-p1 set3 4 4.8557733675 -15.8984376159 3 -12.8984376159 4.9549173134 0.8119808733 0.0061326313 -3.72095564 1.40415373 1.43429781 6.01166909 5.71518104 7.46975401 3.32813498 2.59822869 2.6626549 1.67577169 3.69471545 -17.41536468 -11.65029901 -14.80052162 -7.89318123 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.00001844 0.000041219999999 0.00009218 10605-21-7 25429 144209493 A A Carbendazim O=C(OC)Nc1nc2ccccc2n1 Tox21_202295 -NCGC00091439-07 196725357 tox21-ror-cho-viability-p1 set3 4 0.76496577 -1.2776354 4.55354886 0.63744261 3.86019604 0.29227649 0.67086788 -3.60535844 0.04790319 -1.10941398 -0.90121254 0.48349503 -1.83503478 1.39523179 0.56925058 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51481-61-9 2756 170464651 I Cimetidine N#C\N=C(/NC)NCCSCc1ncnc1C Tox21_110106_1 -NCGC00159453-05 196725358 tox21-ror-cho-viability-p1 set3 4 5.20466547 8.11427168 4.63457321 -0.40397745 0.06584903 2.38390636 2.36042204 4.83861032 -0.75752033 13.70570062 -0.71015875 6.40569596 0.33736663 3.96596068 3.92817209 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 111406-87-2 60490 170465222 A Zileuton NC(=O)N(O)C(C)c1cc2ccccc2s1 Tox21_111680_1 -NCGC00016256-17 196725366 tox21-ror-cho-viability-p1 set3 4 -3.54180629 -3.82849776 0.60229403 -1.29674183 -0.96705225 -0.1369159 -4.10856325 -5.23853344 -8.94096138 -8.20960082 -3.38167278 -0.34125213 -3.6583918 -4.56748033 -7.64485004 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-14-0 4993 170464930 A Pyrimethamine CCc1nc(N)nc(N)c1c2ccc(Cl)cc2 Tox21_110332_1 -NCGC00177971-03 196725769 tox21-ror-cho-viability-p1 set3 4 0.86804963 4.50750404 11.6415954 13.0070105 -8.18452681 -3.98210873 -3.65798087 4.82036096 4.74309675 -5.45769609 -0.99603642 -4.86769575 16.36802805 -4.30764674 16.58569403 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66575-29-9 47936 170466094 A Forskolin CC(=O)O[C@H]2[C@@H](O)[C@@H]1[C@](C)([C@@H](O)CCC1(C)C)[C@@]3(O)C(=O)C[C@](C)(C=C)O[C@]23C Tox21_110940_1 -NCGC00091146-04 196725772 tox21-ror-cho-viability-p1 set3 4 1.94353342 -13.97750541 0 -9.87466502 -4.92449872 -14.12010157 -12.32977606 -3.50588726 -17.3350416 -13.85148238 -13.20338824 -17.4435128 -15.92404804 4.96384124 -5.99607959 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00163815-04 196725780 tox21-ror-cho-viability-p1 set3 -2.2 68.5896218971 -75.6193120159 -1.252478914 -76.8717909299 3.6272481694 0.9301296486 0.0000508767 0 0 -10.9856016 -3.04408193 4.28858389 2.30932981 3.30283109 1.08661288 -1.78323038 -0.03849332 -2.79834883 -0.22600879 -9.16573906 -11.40569851 -58.23620525 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00183026-01 196725783 tox21-ror-cho-viability-p1 set3 4 0.0105909295 8.7708999079 -0.7708999079 8 4.9549173134 0.5193096471 0.1781964209 2.02239883 2.22462243 -4.39241659 -2.65052134 9.3169725 7.1915775 5.71423612 7.83316698 6.13358767 10.47748278 17.41924782 6.99400848 7.82533797 1.37086535 -2.57039358 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 616-96-6 3035267 144206821 A A Dicethiamine hydrochloride Cl.Nc1nc(C)ncc1CN(C=O)C(/C)=C(/CCOC(=O)OCC)SC(=O)OCC Tox21_113270 -NCGC00262533-02 196726179 tox21-ror-cho-viability-p1 set3 2.4 13.3331902297 23.803923088 1.696076912 25.5 2.4063783767 0.8169342786 0.0054698057 -0.40269235 -0.14417715 1.89960028 4.55368579 -5.25326924 7.82593906 3.77855002 1.4119176 5.52832027 -2.38637371 5.17390338 0.86077787 9.62990926 18.26013898 24.65016368 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4880-88-0 71203 170466205 A (-)-Eburnamonine O=C1C[C@@]5(CCCN4CCc3c(n1c2ccccc23)[C@@H]45)CC Tox21_110060_1 -NCGC00167958-05 196698382 tox21-ror-cho-viability-p1 set1 4 0.1059092946 9.650429644 -5.650429644 4 0.4 0.5920887282 0.1039155628 -3.96559251 -7.20869137 -2.44642836 -3.1195795 0.62583714 -3.60647472 0.34734405 -4.19448585 0.50944246 -0.11976168 1.29459851 7.43380686 2.34028453 2.12904406 1.60025711 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64221-86-9 104838 170464934 Z Imipenem O[C@H](C)[C@H]2C(=O)N1C(=C(C[C@@H]12)SCCNC=N)C(=O)O Tox21_110689_1 -NCGC00066947-05 196722068 tox21-ror-cho-viability-p1 set3 4 -5.33404832 -2.3655977 -3.20215354 -3.29923519 -3.29172931 -3.59286071 -5.15827332 -4.8356539 -4.04987475 0.41106235 -1.18021579 -4.96863578 -6.34424458 -1.94735368 -4.91600189 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00091351-03 196721657 tox21-ror-cho-viability-p1 set3 4 0.6368817391 9.351516164 0.148483836 9.5 4.9549173134 0.5925868203 0.1168677905 -1.07605172 3.73336269 5.63533066 5.83718619 -6.12626347 -0.19349349 -1.51634743 -3.50780016 7.53900951 11.56507625 11.90603271 5.50598863 12.25913788 6.05697639 0.20866783 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00259070-01 196722056 tox21-ror-cho-viability-p1 set3 4 19.5870274743 11.657138728 -5.657138728 6 1.031 0.5724582692 0.1183524687 -8.75956994 -4.12042142 -6.35551476 0.30405074 -3.40479567 -8.23183086 -7.53117017 -8.88094894 -7.16440956 0.42707014 -4.60602658 -3.13011626 -0.90465557 3.36359468 3.77924191 1.193E-9 2.6679999999E-9 5.9659999999E-9 1.3339999999E-8 2.9829999999E-8 6.67E-8 1.491E-7 3.335E-7 7.457E-7 0.0000016669999999 0.000003728 0.000008337 0.00001864 0.000041689999999 0.000093209999999 4098-71-9 169132 144208718 FNS Isophorone diisocyanate O=C=N\C1CC(C)(C)CC(C)(C1)C\N=C=O Tox21_201520 -NCGC00258952-01 196722058 tox21-ror-cho-viability-p1 set3 4 -4.0373719 -0.83626038 1.88244459 3.52691865 -3.93971325 -4.16307918 -6.22244344 -5.07002123 -6.86461692 -0.76450641 -6.31011889 -3.22948246 -1.56789442 2.1178739 -2.50771421 1.195E-9 2.671E-9 5.973E-9 1.336E-8 2.987E-8 6.678E-8 1.493E-7 3.3389999999E-7 7.467E-7 0.0000016699999999 0.000003733 0.000008348 0.00001867 0.00004174 0.000093329999999 2855-13-2 17857 144208599 D Isophorone diamine NCC1(C)CC(C)(C)CC(N)C1 Tox21_201401 -NCGC00016246-09 196722465 tox21-ror-cho-viability-p1 set3 4 4.7307944147 36.4686011199 -8.6950812559 27.773519864 0.4 0.6059562428 0.0924561374 -9.60487005 0 -2.38533504 -25.8071676 -1.80676533 0 -3.11346227 -5.65560356 6.96439845 9.46984769 6.53884239 3.73317552 4.93589871 16.88664671 21.12663206 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55-56-1 9552079 170464748 A Chlorhexidine Clc2ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)cc2 Tox21_110325_1 -NCGC00182983-01 196722477 tox21-ror-cho-viability-p1 set3 4 0.04199779 -1.93850294 2.7597507 -2.480913 5.19611229 -0.72238201 4.15385431 3.43432738 2.53763199 4.17069608 -0.25505398 -0.29462123 -2.53777849 7.43022756 -8.22950149 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15387-18-5 9568078 144206829 A A Fezatione S=C2SC=C(N2/N=C/c1ccc(C)cc1)c3ccccc3 Tox21_113278 -NCGC00247674-01 196722478 tox21-ror-cho-viability-p1 set3 4 0.3332278873 12.1519545799 -12.1519545799 0 4.9549173134 0.4315418459 0.2413112175 0.22837077 -18.82630772 -3.07836493 -13.94963186 -24.70996215 -3.5260336 -22.13320128 -0.54017262 -1.51524781 0.22100971 -0.18813283 -2.53922016 -2.9974321 -0.38402426 6.49828622 1.3929999999E-9 3.115E-9 6.9659999999E-9 1.5579999999E-8 3.483E-8 7.7889999999E-8 1.7419999999E-7 3.894E-7 8.708E-7 0.000001947 0.000004354 0.000009736 0.00002177 0.000048679999999 0.00010879999999 832-92-8 71580 144206375 A A Mescaline hydrochloride Cl.COc1c(cc(cc1OC)CCN)OC Tox21_112822 -NCGC00181794-01 196722874 tox21-ror-cho-viability-p1 set3 4 0.26603212 -13.305645592 4 -9.305645592 4.9549173134 0.5905180379 0.1180852997 1.22985012 9.75511702 -4.09517107 4.91583007 16.43512021 -4.93689645 2.07619977 7.44904164 -9.63414108 -10.5629609 -10.06679695 -11.50470466 -7.77599419 -4.85206251 11.30437384 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 109732-56-1 57372628 144207154 M M Dimethyl(2-phenoxyethyl)-2-thenylammonium iodide [I-].C[N+](C)(Cc1cccs1)CCOc2ccccc2 Tox21_113605 -NCGC00164637-02 196722889 tox21-ror-cho-viability-p1 set3 4 3.7578035763 -14.211007332 1 -13.211007332 0.4 0.8327817787 0.005582714 0.3819989 0.88464174 1.43724789 -0.58471255 -0.61740406 -2.84509628 0.27890661 -1.42031924 -3.12667752 -6.33500374 -2.87642904 -4.82759279 -9.34250611 -8.36540867 10.08339745 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 130636-43-0 122188 170465960 A Nifekalant Cl.CN1C(=CC(=O)N(C)C1=O)NCCN(CCCc2ccc(cc2)[N+]([O-])=O)CCO Tox21_112254_1 -NCGC00357098-01 196703932 tox21-ror-cho-viability-p1 set1 4 -3.58037241 1.16314942 4.55370502 -2.29296279 1.30615406 9.24250305 4.1085675 -3.13856854 0.27247021 0.18732977 0.22240707 1.23713804 -4.31792441 5.63764779 0.92533238 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 150-19-6 9007 251919658 A 3-Methoxyphenol Oc1cccc(OC)c1 Tox21_303820 -NCGC00095176-08 196704345 tox21-ror-cho-viability-p1 set1 4 2.64292916 -4.66803143 -4.64692758 -5.6079491 -3.67401983 -3.47625675 -3.97231595 -2.4343863 -4.08916362 -2.49911611 -2.64220579 -2.43277678 -2.09777599 -2.45364087 0.95841223 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68693-11-8 4236 170465042 A Modafinil O=S(CC(N)=O)C(c1ccccc1)c2ccccc2 Tox21_111470_1 -NCGC00095045-05 196704758 tox21-ror-cho-viability-p1 set1 4 0.31940588 3.7636086 0.47620488 -1.07936513 6.29395329 -0.21229604 8.12401731 7.41132657 0.33363371 1.28131535 7.80710732 5.77153702 0.26348066 0.62323836 -0.14385972 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122-16-7 5334 170466141 B Sulfanitran O=S(=O)(Nc1ccc(cc1)[N+]([O-])=O)c2ccc(NC(C)=O)cc2 Tox21_111401_1 -NCGC00159373-04 196704777 tox21-ror-cho-viability-p1 set1 4 0.43960279 -0.79703034 0.00098073 -0.7022503 1.23679692 0.87263208 -4.25495832 0.03453466 0.06712018 -0.72417869 -0.35571142 0.1198924 0.37219791 0.5676854 2.52490399 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 89-83-8 6989 170465504 Ac Thymol CC(C)c1ccc(C)cc1O Tox21_111613_1 -NCGC00091071-08 196705170 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -12.892149424 -1 -13.892149424 4.0949729863 0.7158863836 0.0320861091 0.94140109 -3.02779051 -0.16939139 1.64057184 0.80628228 -2.59355155 -0.75733904 -2.33524303 -0.62179858 1.68151318 -1.87078031 -3.44604177 -2.39273991 -2.2729739 -11.16012452 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-29-3 3036 170465529 F p,p'-DDT Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl Tox21_111076_1 -NCGC00249613-02 196705182 tox21-ror-cho-viability-p1 set1 -1.1 0.7497803863 -79.7760167259 0.2281013339 -79.547915392 0.9999999999 0.992112174 2E-10 -2.18637251 0.10887798 1.0123905 0.08863262 -3.02585002 -3.04282855 -0.08755899 -15.141095 -32.23081387 -39.03894439 -55.34877153 -66.19158931 -76.56076474 -76.67177794 -76.70659616 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 868540-17-4 11556711 170466878 A Carfilzomib C[C@@]1(CO1)C(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc3ccccc3)NC(=O)CN4CCOCC4)CC(C)C Tox21_113079_1 -NCGC00166138-04 196705185 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -20.821421444 2 -18.821421444 4.9549173134 0.8541391776 0.0020031252 0.34161611 1.35727675 0.78769369 -0.09489767 3.21410873 3.44286652 0.4357766 5.75173542 0.28354164 3.80495012 0.74891749 -0.35758494 1.91938467 2.48261164 -15.68451787 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 297-76-7 9270 170464933 F Ethynodiol diacetate CC(=O)O[C@@]4(C#C)CC[C@@H]3[C@]4(C)CC[C@H]2[C@H]3CCC1=C[C@H](CC[C@@H]12)OC(C)=O Tox21_112333_1 -NCGC00015155-11 196705192 tox21-ror-cho-viability-p1 set1 -2.2 29.8492948118 -40.3238682823 -2 -42.3238682823 3.6272481694 0.9546797825 0.0000049158 -2.04243871 -1.43743407 -2.43268688 -5.27999443 -0.50169885 0.26299486 -3.34182248 -3.19235068 0.1622633 -4.76129779 -3.12184889 0.99776068 -0.1815466 -10.93458193 -35.17767324 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64706-54-3 2351 170465240 A Bepridil CC(C)COCC(CN(Cc1ccccc1)c2ccccc2)N3CCCC3 Tox21_110089_1 -NCGC00260012-01 196705589 tox21-ror-cho-viability-p1 set1 4 -2.29101966 -2.36127198 0.50463704 -3.36805645 -0.87131902 -3.80657601 -1.58521782 -1.50016443 -17.17231879 9.28345667 -1.5374207 -2.34394116 -6.07400363 -5.44051306 1.57025962 1.163E-9 2.5999999999E-9 5.8139999999E-9 1.2999999999E-8 2.9069999999E-8 6.501E-8 1.454E-7 3.25E-7 7.268E-7 0.000001625 0.000003634 0.000008126 0.00001817 0.00004063 0.000090849999999 78-40-0 6535 144209661 A A Triethyl phosphate CCOP(=O)(OCC)OCC Tox21_202463 -NCGC00090701-06 196705587 tox21-ror-cho-viability-p1 set1 4 -0.99081291 3.81362075 3.27639485 4.47344229 1.93997964 0.54038769 -2.24864833 5.12706594 0.69409359 0 1.41806016 4.7015046 4.85197857 -2.19765972 -0.14924677 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00259399-01 196705595 tox21-ror-cho-viability-p1 set1 4 -1.31810295 -2.25931001 -1.26032573 -1.24568869 0.89562538 -1.48612309 0.30801467 1.50305893 0.27545182 0 -1.641607 -4.09501648 -5.46706427 -3.47963843 -0.88509865 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.3169999999E-8 2.944E-8 6.583E-8 1.472E-7 3.291E-7 7.3599999999E-7 0.0000016459999999 0.00000368 0.0000082289999999 0.000018399999999 0.000041139999999 0.000092 2058-46-0 54680782 144209048 A B Oxytetracycline hydrochloride Cl.NC(=O)C=3C(=O)[C@@]4(O)C(O)=C2C(=O)c1c(O)cccc1[C@@](C)(O)[C@H]2[C@H](O)[C@H]4[C@@H](C=3O)N(C)C Tox21_201850 -NCGC00259799-01 196705602 tox21-ror-cho-viability-p1 set1 4 -0.86261992 -6.77764988 -8.21599181 -0.44936019 -2.74130863 0.63956797 -0.22700184 -3.55361781 3.99781925 -14.89301265 -3.07987432 0.22753042 4.24733283 -0.72710593 2.8006542 1.165E-9 2.6039999999E-9 5.824E-9 1.302E-8 2.912E-8 6.5109999999E-8 1.456E-7 3.256E-7 7.28E-7 0.000001628 0.00000364 0.000008139 0.0000182 0.00004069 0.000090999999999 10265-92-6 4096 144209448 A A Methamidophos NP(=O)(OC)SC Tox21_202250 -NCGC00259347-01 196705634 tox21-ror-cho-viability-p1 set1 -2.4 19.5870274743 -23.937121828 3 -20.937121828 2.0437424601 0.8331553922 0.0036432328 0.06256276 1.72693481 1.64476794 8.08778279 4.0107325 -0.1091489 0.96111913 0.69359636 1.09274352 12.2142221 -0.67513644 0.44087585 -9.65434419 -15.4651686 -20.36426819 1.193E-9 2.667E-9 5.963E-9 1.333E-8 2.981E-8 6.6669999999E-8 1.491E-7 3.3329999999E-7 7.4539999999E-7 0.0000016669999999 0.0000037269999999 0.000008333 0.00001863 0.00004167 0.00009317 126-72-7 31356 144208996 A A Tris(2,3-dibromopropyl) phosphate BrCC(Br)COP(=O)(OCC(Br)CBr)OCC(Br)CBr Tox21_201798 -NCGC00022848-17 196725946 tox21-ror-cho-viability-p1 set3 4 0.0047307944 30.334599916 -12.334599916 18 0.5 0.5815416133 0.1103274002 -6.94549993 -0.75376815 4.17772378 0 11.12618608 13.35020412 11.34495617 3.76614802 3.73871081 23.55206087 25.62981651 25.91022365 9.38499213 14.70010963 17.23641274 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-23-7 5754 170464635 A Hydrocortisone OCC(=O)[C@@]4(O)CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_110883_1 -NCGC00090704-03 196705896 tox21-ror-cho-viability-p1 set1 4 -7.285793 -2.24132272 -8.26757863 -10.93295776 -4.02080418 -6.32477105 -5.90001474 -8.62476111 -3.56030992 0 -3.50365504 -5.97845352 -8.27140948 1.4940023 0.43861827 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00015844-10 196725967 tox21-ror-cho-viability-p1 set3 4 0 -13.93441229 -7.60966279 2.42439404 -0.50950672 -4.76471262 2.5140559 4.08796553 -0.62911059 -6.95433506 2.70930413 1.65475185 -4.49209674 -4.70495186 -8.93306126 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50865-01-5 71484 170465923 F Protoporphyrin disodium [Na+].[Na+].[O-]C(=O)CCc2c(C)c1cc5nc(cc4nc(cc3nc(cc2n1)C(CCC([O-])=O)=C3C)c(C)c4C=C)C(C)=C5C=C Tox21_112390_1 -NCGC00091011-05 196725944 tox21-ror-cho-viability-p1 set3 1.4 8.6349217992 27.014593592 2.985406408 30 1.826479391 0.8966438538 0.0003799164 -0.8626256 -2.09549466 4.15364167 9.42740872 3.52678169 5.41682618 -1.64432323 7.43763444 6.6078403 0.10385518 6.55864108 17.46601324 23.12701901 29.99791258 29.19651024 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00024257-08 196725952 tox21-ror-cho-viability-p1 set3 4 0.0066824247 -4.2856508639 2.5 -1.7856508639 3.9294729863 0.4487936215 0.2300707482 0.90984334 0.23803543 6.38948367 -0.57525279 -1.02894181 -2.94061956 -2.79900615 -1.88571636 -6.07137572 -0.72334558 -0.94409578 -1.77490186 -0.14411203 -0.44301416 -1.13474987 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61-76-7 5284443 170465356 Z Phenylephrine hydrochloride Cl.O[C@@H](CNC)c1cc(O)ccc1 Tox21_110897_1 -NCGC00018194-08 196726358 tox21-ror-cho-viability-p1 set3 4 -2.98524692 -1.07311997 -1.75859503 -0.71867485 -0.06905832 1.09976343 -0.88569086 -2.84369721 -3.85683337 -7.00626007 -4.95275599 0.33443226 -1.22076999 -0.41103798 -2.27404075 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 73-48-3 2315 170465156 A Bendroflumethiazide FC(F)(F)c1cc2NC(NS(=O)(=O)c2cc1S(N)(=O)=O)Cc3ccccc3 Tox21_110365_1 -NCGC00018275-05 196726359 tox21-ror-cho-viability-p1 set3 4 0.118832183 11.703721052 -6.703721052 5 4.9549173134 0.6772815408 0.0490464379 -6.61601458 -7.63941832 -10.4905077 5.54991659 -7.28207762 -10.43811518 -10.58643421 5.82518443 2.48100437 2.81364399 5.4695641 6.36215018 3.92912093 5.76029046 4.72240002 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16773-42-5 28061 170466243 A Ornidazole Cc1ncc([N+]([O-])=O)n1CC(O)CCl Tox21_110582_1 -NCGC00163735-04 196726368 tox21-ror-cho-viability-p1 set3 -2.4 6.1130564862 -19.217618616 -3.5 -22.717618616 4.9549173134 0.6923650001 0.0415245311 -14.6640235 -8.38921903 4.42134488 3.00843476 -8.49963784 -6.66874493 2.52495473 -7.62037748 -3.56581173 2.40257539 -1.26557714 -21.41838484 -16.74661029 -27.26468218 -23.38439921 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00257199-01 196726779 tox21-ror-cho-viability-p1 set3 4 0.0121971512 -7.73514928 8 0.26485072 4.9549173134 0.7597498037 0.0169696042 5.41145504 12.18278735 6.72207314 3.78941546 -1.8626244 1.69117295 -0.8719569 -0.59091344 0.93206816 1.76298694 -0.98071861 -1.65367903 1.31974594 2.25205884 0.49372032 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4792-15-8 62551 144213444 A A Pentaethylene glycol OCCOCCOCCOCCOCCO Tox21_303127 -NCGC00256436-01 196726786 tox21-ror-cho-viability-p1 set3 4 1.17240167 1.66239635 0.12395561 -0.75095559 -0.8642912 0.2257968 0.48393124 3.73885107 0.20627637 3.09320231 1.52426569 2.66446507 -0.36872369 1.11762898 0.1120019 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58-15-1 6009 144213147 A A 4-Dimethylaminoantipyrine CN(C)C=2C(=O)N(c1ccccc1)N(C)C=2C Tox21_302830 -NCGC00255243-01 196700821 tox21-ror-cho-viability-p1 set1 4 3.42542519 0.28293274 0.03417236 0.46210461 0.0449001 0.56216804 0.37926618 0.911292 0.28364316 -0.25705445 0.59861225 0.34438689 1.14577227 2.15822464 1.38938128 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 39515-40-7 38283 144212236 A B Cyphenothrin C/C(C)=C/C3C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C Tox21_301919 -NCGC00256218-01 196701219 tox21-ror-cho-viability-p1 set1 4 0.06638826 -1.38353803 -7.95150145 -5.62020647 -4.1052754 1.55552643 -4.38345614 -3.94546408 -7.7644731 -6.84197864 -34.43460069 -83.19682397 -10.59938876 21.3179429 0.2663244 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 40220-08-4 170286 144212047 B B (2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)triethane-2,1-diyl trisprop-2-enoate C=CC(=O)OCCN1C(=O)N(CCOC(=O)C=C)C(=O)N(CCOC(=O)C=C)C1=O Tox21_301730 -NCGC00255334-01 196700411 tox21-ror-cho-viability-p1 set1 4 0.10813134 1.42954951 0.66405711 -0.0554404 1.56719682 3.71160119 0.11274725 4.02928835 -0.13701378 2.64380035 0.58702611 0.82562722 0.30322379 9.23971294 1.94185418 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1197-01-9 14529 144212452 D A p-Cymen-8-ol Cc1ccc(cc1)C(O)(C)C Tox21_302135 -NCGC00255274-01 196700811 tox21-ror-cho-viability-p1 set1 4 2.52503591 1.14548485 1.21866288 2.8044511 1.74768916 -1.27942746 4.14080822 -1.57988522 4.01922083 0.99354678 -0.81497155 -0.96208951 2.81290807 -0.17608855 0.73640439 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 629-19-6 12377 144211816 F Dipropyl disulfide CCCSSCCC Tox21_301499 -NCGC00256231-01 196701225 tox21-ror-cho-viability-p1 set1 4 2.08046573 3.67422486 3.26748325 2.17221 1.94332675 -1.18473129 3.44857604 2.54267284 3.16938288 4.17732316 -1.67567088 2.65376054 2.3814323 -2.3388179 1.73479184 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6961-82-6 81410 144211941 A A 2-Chlorobenzenesulfonamide O=S(N)(=O)c1ccccc1Cl Tox21_301624 -NCGC00255746-01 196701227 tox21-ror-cho-viability-p1 set1 4 -0.75138626 -4.06675262 -1.06964688 -8.89149622 -5.11491333 -12.18285367 -0.99045514 -11.07638389 -5.27580575 -6.75308039 -12.7467817 -8.31049441 -3.76538773 -10.76896844 -7.2311006 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 5459-58-5 79571 144212443 A A Butyl cyanoacetate O=C(CC#N)OCCCC Tox21_302126 -NCGC00255476-01 196701230 tox21-ror-cho-viability-p1 set1 -1.2 21.6899429044 -30.623719912 -8.362691104 -38.986411016 0.7999999999 0.7877345225 0.010185596 -8.24094229 -3.63557592 -8.96323313 -15.31819002 -8.15568414 -8.81677174 -14.89312367 -13.00243242 -13.64910339 -11.97394943 -7.57334755 -18.18302374 -23.59109541 -30.82200918 -29.49374531 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 541-53-7 2758725 144212266 A B 2,4-Dithiobiuret NC(=S)NC(N)=S Tox21_301949 -NCGC00091146-04 196701232 tox21-ror-cho-viability-p1 set1 4 -1.17243834 0.46615521 1.55401397 1.68241246 0.38122957 1.44507314 1.11684657 0.8647743 -0.32445727 -0.7909082 2.22566008 1.48080372 0.90584424 1.95945343 -2.79447888 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00255489-01 196701233 tox21-ror-cho-viability-p1 set1 4 -8.88304674 -10.18792515 0.40848258 -3.8780089 -5.26093367 -19.77713114 -15.76379148 -0.35796898 -9.72437701 -1.0609788 -3.34940437 -12.9152089 -21.65007519 -1.33054134 -15.09872621 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1216-44-0 267210 144211745 A A Flurenol-methyl O=C(OC)C3(O)c1ccccc1c2ccccc23 Tox21_301428 -NCGC00255604-01 196701235 tox21-ror-cho-viability-p1 set1 4 54.4272718766 -16.325159304 -0.5 -16.825159304 1.4787409999 0.682287647 0.047007161 -5.16377233 -3.95439834 0.01328463 -0.39951648 1.34860576 1.43135417 1.1712842 0.08406143 -0.2193314 2.48068766 -2.36219637 0.6704848 -5.6958349 -5.28659848 -12.35429942 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 48145-04-6 39485 144212040 Z Z 2-Phenoxyethyl acrylate C=CC(=O)OCCOc1ccccc1 Tox21_301723 -NCGC00255607-01 196701236 tox21-ror-cho-viability-p1 set1 4 1.28247512 1.19261987 -3.74497151 -2.33376132 -0.73914283 -2.16456415 2.29395705 -0.03029642 0.13518522 7.60926249 -1.22273769 -3.6502944 -0.39718951 -0.02403992 -2.44778038 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65733-16-6 1711973 144211726 Cc F S-Methoprene CC(C)OC(=O)\C=C(/C)\C=C\C[C@@H](C)CCCC(C)(C)OC Tox21_301409 -NCGC00256158-01 196701238 tox21-ror-cho-viability-p1 set1 -3 61.130564862 -60.6405264948 2.2093799104 -58.4311465844 3.6272481694 0.9655383757 0.0000010642 0.52396169 -1.16338666 -1.28181669 1.09425949 3.88715237 2.89450528 4.88179632 1.91023947 2.9009689 8.51607862 0.20454158 3.02068542 1.4812113 -9.09727185 -47.29632317 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 42594-17-2 3036974 144211588 A A Octahydro-1H-4,7-methanoindene-1,5-diyldimethanediyl bisprop-2-enoate C=CC(=O)OCC2CCC3C1CC(CC1COC(=O)C=C)C23 Tox21_301271 -NCGC00258598-01 196701635 tox21-ror-cho-viability-p1 set1 4 4.3668506 1.61216304 -0.94286546 4.4537334 1.16353301 0.35793376 1.70672861 -0.74532826 3.17486921 -13.42393123 -0.66154353 -1.16638272 1.55697997 -1.13059576 0.00531015 1.159E-9 2.592E-9 5.797E-9 1.2959999999E-8 2.898E-8 6.481E-8 1.449E-7 3.241E-7 7.246E-7 0.00000162 0.000003623 0.000008101 0.00001812 0.00004051 0.000090579999999 7757-82-6 24436 144208243 Sodium sulfate anyhdrous [Na+].[Na+].[O-]S([O-])(=O)=O Tox21_201045 -NCGC00254658-01 196699419 tox21-ror-cho-viability-p1 set1 4 3.44830567 -0.12121434 1.06979577 1.66649667 0.84914331 2.92015234 1.35568862 -0.60097973 2.22198754 0.28373503 2.41704066 1.43131174 1.72927206 -1.18212125 0.72531982 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1007-28-9 13878 144211070 A A Deisopropylatrazine Nc1nc(NCC)nc(Cl)n1 Tox21_300753 -NCGC00254044-01 196699005 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -20.28606786 1 -19.28606786 4.9549173134 0.7456855065 0.0209506889 4.34532137 -1.04373292 4.63065229 1.40144156 3.32537112 1.42409561 0.30896209 -4.39725885 0.12212776 -2.46214805 2.3727328 1.87133017 -1.22352963 0.86667202 -15.65505655 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 563-12-2 3286 144210495 A A Ethion S=P(SCSP(=S)(OCC)OCC)(OCC)OCC Tox21_300175 -NCGC00254730-01 196699402 tox21-ror-cho-viability-p1 set1 4 0.76223538 0.64613446 5.0369137 1.75760633 1.10146313 0.70499488 3.53807744 -0.21639248 4.81922353 6.62101463 1.11280501 -0.20878253 -0.0753098 0.14010394 2.95524203 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 12427-38-2 3032581 144211143 Ac Maneb [Mn+2].[S-]C(=S)NCCNC(=S)[S-] Tox21_300826 -NCGC00254379-01 196699407 tox21-ror-cho-viability-p1 set1 4 -1.13464543 3.01450264 1.00257111 0.68055513 1.94245782 3.01658622 3.22292561 3.11714531 -0.37004123 3.06344354 2.99969552 1.16641511 0.54679835 2.81950923 -0.64967285 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 353280-07-6 9865929 144210763 A A CP-612372 CC(C)(O)c1ccc(cc1)CNC(=O)c4cccnc4Oc2ccc3nonc3c2 Tox21_300445 -NCGC00244580-01 196699817 tox21-ror-cho-viability-p1 set1 4 0.82983508 -6.8580579 -1.8637869 -4.79969522 -5.30819746 -5.9897768 2.18215575 0.96246715 0.03256596 -5.97440205 -8.39376285 -2.27706203 -5.16194477 -3.71463888 -14.16671611 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00254219-01 196699822 tox21-ror-cho-viability-p1 set1 4 8.6349217992 5.520388232 -2.020388232 3.5 1.9673362061 0.5709537666 0.1214383044 -0.38395588 -1.07059446 -2.9919021 -0.38028561 -1.462283 -5.43365686 -1.78749944 -4.06557966 -1.20621762 -1.53169186 -0.86844374 -0.27122731 4.76235202 -0.30021037 4.96020861 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-91-5 8496 144210426 A A 1,3-Benzenedicarboxylic acid OC(=O)c1cccc(c1)C(=O)O Tox21_300106 -NCGC00255012-01 196699824 tox21-ror-cho-viability-p1 set1 4 1.19913044 -1.32722205 0.41208401 -0.39082791 -0.55518604 1.03712706 2.02050434 1.75409245 -0.00526782 2.14563998 -0.75386791 -0.32214661 2.08511935 0.85890102 -0.04018045 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 26225-79-6 33360 144211429 Ac Ac Ethofumesate CS(=O)(=O)Oc1cc2c(cc1)OC(OCC)C2(C)C Tox21_301112 -NCGC00254767-01 196699826 tox21-ror-cho-viability-p1 set1 4 1.26320022 -0.91073651 0.54910325 0.46748633 1.89012114 4.78477757 0.56187583 3.94438668 4.13400162 0.32247735 1.65979693 0.45265706 7.56826959 2.52324529 4.01758073 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 31218-83-4 5372405 144211180 A A Propetamphos COP(=S)(NCC)OC(\C)=C\C(=O)OC(C)C Tox21_300863 -NCGC00254898-01 196699838 tox21-ror-cho-viability-p1 set1 4 -5.15886081 0.68173158 -11.03311363 -6.48248523 -0.01124527 -1.3748244 0.27371628 -4.5660701 -5.9601529 -6.47911915 0.32369363 -16.78078991 -5.22828019 -0.42699739 -8.21121712 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 624-48-6 5271565 144211313 A Ac Dimethyl maleate COC(=O)/C=C\C(=O)OC Tox21_300996 -NCGC00254497-01 196699839 tox21-ror-cho-viability-p1 set1 -2.1 68.5896218971 -109.0308980301 -0.718666985 -109.7495650151 3.6772481694 0.9791386708 6.06E-8 4.04305999 -1.27585487 -1.2909455 2.16129789 -0.00008337 0.70557581 2.72325805 -2.35431439 0.24777143 0.27229858 -4.4037167 -4.34534362 -9.12332439 -14.62652644 -83.14360986 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 361343-19-3 6914152 144210759 I I Elzasonan CN1CCN(CC1)c4ccccc4/C=C3\SCCN(c2cc(Cl)c(Cl)cc2)C3=O Tox21_300441 -NCGC00255777-01 196700231 tox21-ror-cho-viability-p1 set1 -2.2 43.2771256911 -46.6561313324 -4 -50.6561313324 0.5 0.6933982817 0.0410393609 0.20936126 -0.48172682 -4.04041434 -11.09516201 -10.65179607 -16.96251668 -0.45838426 -13.42752203 -13.87034141 -15.1026834 -7.0395414 -13.57257869 -19.38429083 -26.88418755 -38.37585707 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-81-9 61059 144212562 F Ac Ethane-1,2-diyl bis(sulfanylacetate) O=C(OCCOC(=O)CS)CS Tox21_302245 -NCGC00255984-01 196700236 tox21-ror-cho-viability-p1 set1 4 0.0432771257 4.7100845239 -3.2100845239 1.5 3.1319983358 0.359850494 0.3128742652 2.25830258 0.62398493 -7.93059437 -8.50840377 -1.36902873 0.77495394 1.22330648 1.42806498 -1.21835748 2.65599365 3.84240662 1.24557963 -0.23744203 2.09874252 1.42974623 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2275-14-1 16773 144212058 F Fns Phenkapton Clc1ccc(Cl)cc1SCSP(=S)(OCC)OCC Tox21_301741 -NCGC00253676-01 196725813 tox21-ror-cho-viability-p1 set3 4 0 0 5.66624319 3.93919829 -11.36122844 5.20287753 -12.33581525 -10.2470071 2.81115528 2.76533796 -12.1475876 4.8758364 0.98546098 5.14354555 -6.55343332 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26116-12-1 117295 170466694 Z Fns 1-Ethylpyrrolidin-2-ylmethylamine NCC1CCCN1CC Tox21_113800 -NCGC00166120-02 196725407 tox21-ror-cho-viability-p1 set3 -2.2 26.6032120037 -37.13877586 -1.5 -38.63877586 2.0478617061 0.7116004307 0.0330810798 1.09228843 -1.32998973 8.76453237 -2.39338746 6.07377913 -0.48130395 -1.380262 -1.02259712 -8.63637701 -11.96046612 -4.82339147 0.09644173 -7.16613861 -14.08162589 -30.11564655 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 124-03-8 31280 170466067 A Ethylhexadecyldimethylammonium bromide [Br-].C[N+](C)(CCCCCCCCCCCCCCCC)CC Tox21_112326_1 -NCGC00186654-01 196725408 tox21-ror-cho-viability-p1 set3 -1.2 5.9557173066 -33.17754788 0 -33.17754788 2.2526478767 0.938857763 0.0000560098 6.27900357 0.86237463 2.9629648 -1.40935457 0.64021652 -0.89275468 -0.33096209 -1.91802739 -1.82359842 -2.54417928 -5.61440854 -6.89338671 -25.97441616 -30.9812899 -14.52909486 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 723-46-6 5329 170464637 A Sulfamethoxazole Cc2cc(NS(=O)(=O)c1ccc(N)cc1)no2 Tox21_110480_1 -NCGC00016692-05 196725831 tox21-ror-cho-viability-p1 set3 2.4 11.8832183006 37.08583736 3.41416264 40.5 0.8999999999 0.6379614051 0.0712415043 2.59721781 2.79333764 -1.7381978 3.37678651 8.86978271 0.61882674 13.11887847 5.2488802 21.94648337 2.96097161 3.72065758 5.85755675 24.60926463 32.10802114 28.376305 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10457-90-6 2448 170465873 A Bromperidol Fc1ccc(cc1)C(=O)CCCN2CCC(O)(CC2)c3ccc(Br)cc3 Tox21_110565_1 -NCGC00178252-05 196726231 tox21-ror-cho-viability-p1 set3 1.2 1.0590929458 43.387006776 4.224374395 47.611381171 0.8999999999 0.8440692255 0.0040835997 14.81042693 10.71786357 0 4.03165222 12.03895764 11.8293087 8.99029483 0.99773544 24.52749309 20.97709862 28.53102361 42.75625605 42.3118678 42.67964864 33.79234522 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 548-66-3 92806 170466082 A Drofenine hydrochloride Cl.CCN(CC)CCOC(=O)C(c1ccccc1)C2CCCCC2 Tox21_111350_1 -NCGC00257508-01 196726648 tox21-ror-cho-viability-p1 set3 4 0.0194104466 23.39911084 20.74524304 8.70273621 12.84198426 10.07719801 4.65179924 4.23288982 4.20540927 -3.17555252 0.72890816 -0.52416016 1.41727418 8.93236404 8.94545996 4.09002791 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 26472-00-4 3437714 144213804 F F Methylcyclopentadiene dimer CC=2CC3C1C=C(C)C(C1)C3C=2 Tox21_303496 -NCGC00164168-02 196726646 tox21-ror-cho-viability-p1 set3 4 -3.13219825 -0.54619997 -0.32131688 1.33597796 -0.51702698 0.63359546 3.97746578 2.95326369 0.01010174 4.11594837 6.23620943 3.57627249 0.23028847 -0.27486284 -0.07608589 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.000096319999999 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00256872-01 196726655 tox21-ror-cho-viability-p1 set3 4 0.0019331182 -14.0570580519 14 -0.0570580519 3.9899729863 0.6683885685 0.0542979192 12.32663746 3.49506426 -1.09784409 -0.00274489 1.37727948 -0.11992132 0.25131923 2.14949438 1.11395825 0.44699276 2.31412582 0 2.37877568 -0.67150494 -7.13088171 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-65-3 8405 144212820 A Fns Isoquinoline c1cccc2ccncc12 Tox21_302503 -NCGC00257502-01 196726668 tox21-ror-cho-viability-p1 set3 4 0.0096885416 -12.009290188 13.5 1.490709812 1.9673362061 0.5720314408 0.1180489513 10.35496982 12.13502144 19.22737118 -1.24306021 -0.61571501 5.39587694 0.4863546 -2.92440849 2.9174042 -1.06506015 3.88049746 0.03764522 3.3377428 1.83499914 4.58642602 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-51-4 2345 144213729 A A Benzyl benzoate O=C(OCc1ccccc1)c2ccccc2 Tox21_303418 -NCGC00257147-01 196727065 tox21-ror-cho-viability-p1 set3 4 4.52943968 1.78100789 2.16583228 0.66936699 2.93110124 3.02477116 1.6177947 -4.16576002 -0.49734229 0.28927306 0.85553475 3.0292897 1.87950874 0.07899905 1.72908694 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3724-65-0 19499 144213525 Z Z 2-Butenoic acid CC=CC(=O)O Tox21_303208 -NCGC00091602-02 196727067 tox21-ror-cho-viability-p1 set3 4 1.89094712 1.07064883 -2.0832126 -1.30210339 -4.75288948 -16.27545257 -1.23711486 0 -2.0230975 -3.57218967 -0.29284729 -17.22462842 1.56487463 -2.08433107 -3.37313892 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00256185-01 196710923 tox21-ror-cho-viability-p1 set2 4 4.65208335 2.70396891 0.4589046 -0.19334024 0.73645495 3.47723153 0.64961171 -1.55992511 1.55460272 -0.9729379 1.06447188 -1.3914099 -1.69473104 1.86679444 -0.51185088 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-20-4 66573 144211589 A A 9-Ethyl-3-nitro-9H-carbazole [O-][N+](=O)c2cc3c1ccccc1n(CC)c3cc2 Tox21_301272 -NCGC00255775-01 196710502 tox21-ror-cho-viability-p1 set2 4 -6.35774212 -5.2452123 -2.81844475 -1.37992019 -3.14670559 -5.34418078 -3.85225017 0.93491828 -1.35348311 -1.30574128 0.07788671 2.18439308 -2.17171638 1.72013615 -13.92532159 9.2609999999E-10 2.071E-9 4.6299999999E-9 1.035E-8 2.315E-8 5.1769999999E-8 1.1579999999E-7 2.5879999999E-7 5.788E-7 0.000001294 0.000002894 0.0000064709999999 0.00001447 0.000032359999999 0.00007235 1176-74-5 92873 144212238 A Tetrabromophenolphthalein ethyl ester BrC1=CC(\C=C(Br)C1=O)=C(/c2cc(Br)c(O)c(Br)c2)c3ccccc3C(=O)OCC Tox21_301921 -NCGC00164077-02 196728039 tox21-ror-cho-viability-p1 set3 4 1.42046737 -5.62741575 1.35055921 -1.8168187 -2.36164828 6.2354077 -1.84432136 -3.16472507 -1.17250185 -7.0874353 1.44226196 -4.9274968 5.53982629 1.84329424 -7.21522679 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00256615-01 196727217 tox21-ror-cho-viability-p1 set3 4 7.86299523 9.64419682 2.35503757 2.76558287 2.52480503 1.76639311 0.14444843 0.0046384 2.11019606 -12.5961501 -3.51808359 3.10693522 -1.06031728 9.38086755 11.25163137 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 551-92-8 3090 144213306 A A 1,2-Dimethyl-5-nitroimidazole O=[N+]([O-])c1cnc(C)n1C Tox21_302989 -NCGC00256406-01 196727634 tox21-ror-cho-viability-p1 set3 -1.1 15.3553036427 -85.2818368784 -0.87654563 -86.1583825084 2.4063783767 0.9739144838 2.187E-7 0.48589774 0.70324796 -0.21501658 0.39186405 -1.3012712 0.0957117 -1.35926402 -1.66877905 -2.32650933 -11.97503204 -2.80605337 -5.26353505 -61.48256704 -77.43289812 -83.06220834 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-49-8 8805 144213271 A D 4'-(Chloroacetyl)acetanilide O=C(C)Nc1ccc(cc1)C(=O)CCl Tox21_302954 -NCGC00255827-01 196728031 tox21-ror-cho-viability-p1 set3 4 3.50818029 -5.12809407 2.26408395 -1.40675106 2.35657391 1.8498943 2.51338375 0.15372409 4.26498597 -0.69684368 1.74291049 -1.9237126 0.71142762 -0.35810008 -2.46935917 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24353-61-5 90479 144211645 A A Isocarbophos S=P(N)(Oc1ccccc1C(=O)OC(C)C)OC Tox21_301328 -NCGC00255812-01 196728040 tox21-ror-cho-viability-p1 set3 4 4.84417355 -5.46825363 -0.4932535 -2.39957437 1.96248282 0.39196293 2.21613548 -0.43644623 1.04161992 2.6013064 1.1887897 -4.48750231 -2.45415785 -0.73635148 5.41476734 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4246-51-9 20239 144211826 F F 3,3'-[Oxybis(ethane-2,1-diyloxy)]dipropan-1-amine NCCCOCCOCCOCCCN Tox21_301509 -NCGC00255945-01 196728041 tox21-ror-cho-viability-p1 set3 4 1.6785492 9.5494490039 -2.5494490039 7 3.9294729863 0.5675834008 0.1369605192 3.19447064 -5.54230888 -3.29470922 -2.60840452 -7.95787417 -1.96897845 -0.37094724 -5.68668233 4.70463573 -5.6064643 3.02318346 9.02458359 7.32365035 4.55693313 -4.40426621 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 111974-72-2 5281025 144212683 A A Quetiapine fumarate O=C(O)/C=C/C(=O)O.OCCOCCN1CCN(CC1)C3=Nc4ccccc4Sc2ccccc23.OCCOCCN1CCN(CC1)C3=Nc4ccccc4Sc2ccccc23 Tox21_302366 -NCGC00255258-01 196728449 tox21-ror-cho-viability-p1 set3 4 1.37262725 -2.72544896 -1.49593166 -1.03780621 0.53926069 -1.33305566 2.29527742 1.33069564 3.19854135 1.21944201 -1.28864018 0.06934864 -1.85592592 2.64326464 -5.24951727 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 129-73-7 67215 144212420 A A Leucomalachite green CN(C)c1ccc(cc1)C(c2ccccc2)c3ccc(cc3)N(C)C Tox21_302103 -NCGC00255250-01 196728458 tox21-ror-cho-viability-p1 set3 4 15.3553036427 -15.8814075439 3 -12.8814075439 1.24751 0.7501478202 0.0195302475 1.50713205 1.10501383 0.9350194 6.30205865 -1.11566946 2.13273139 3.65575251 1.54124615 8.70686942 4.39710662 -2.94091285 -0.74986259 -7.81908487 -6.75420207 -12.81783962 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 54965-21-8 2082 144212617 A A Albendazole O=C(OC)Nc1nc2cc(ccc2n1)SCCC Tox21_302300 -NCGC00255233-01 196728469 tox21-ror-cho-viability-p1 set3 1.2 24.1880978209 42.4612500052 1.589184248 44.0504342532 4.9549173134 0.9837543695 1.42E-8 0.05620199 -0.04582583 3.23816302 1.9910101 1.51322274 1.93993324 3.43498827 0.86971159 2.00515484 1.4198907 0.17191397 6.07536443 8.25476023 43.51242173 41.75664651 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 155141-29-0 5281055 144212684 A A Rosiglitazone maleate O=C(O)/C=C\C(=O)O.CN(CCOc2ccc(CC1SC(=O)NC1=O)cc2)c3ccccn3 Tox21_302367 -NCGC00274272-01 196725614 tox21-ror-cho-viability-p1 set3 4 -8.74106243 -6.36798826 -2.70060381 2.88613321 -12.34746765 -14.00429122 -12.10765326 -11.58324201 -0.08908406 -12.51473915 2.99363222 -14.12540363 -3.5129775 4.06259038 1.59856918 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3115-05-7 18377 170465948 I F Iobenzamic acid Ic1cc(I)c(N)c(I)c1C(=O)N(CCC(=O)O)c2ccccc2 Tox21_113974 -NCGC00025060-15 196725606 tox21-ror-cho-viability-p1 set3 4 -4.85231074 -11.53217902 -7.17312638 -4.53874237 -6.94333863 -6.0730067 3.42654747 -6.98881389 -5.02798625 -10.31304466 -3.03517209 3.20644022 -8.30039471 -7.7791092 -8.09353064 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-05-2 126941 170464688 A Methotrexate O=C(O)[C@H](CCC(=O)O)NC(=O)c1ccc(cc1)N(C)Cc2nc3c(nc2)nc(N)nc3N Tox21_110944_1 -NCGC00257759-01 196702478 tox21-ror-cho-viability-p1 set1 4 6.46365399 0.17278377 0.99181994 7.88943482 4.08580126 8.40401897 5.35572012 5.36372042 8.63601886 3.61616902 6.07371017 1.55529395 5.64784801 0.87550745 5.61388959 1.136E-9 2.54E-9 5.679E-9 1.27E-8 2.84E-8 6.3499999999E-8 1.4199999999E-7 3.175E-7 7.099E-7 0.0000015869999999 0.000003549 0.000007937 0.000017749999999 0.00003968 0.00008874 75-34-3 6365 144207403 FNS 1,1-Dichloroethane CC(Cl)Cl Tox21_200205 -NCGC00257918-01 196702466 tox21-ror-cho-viability-p1 set1 4 -5.58428259 -4.88782122 -12.22375395 -7.7876046 -14.34544844 -6.00589968 -17.46325987 -9.98712936 -5.42154188 -9.84603658 -11.49776754 -7.3056785 -16.33564524 -14.10541896 -13.91434296 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004107 0.00009184 79-27-6 6588 144207562 A A 1,1,2,2-Tetrabromoethane BrC(Br)C(Br)Br Tox21_200364 -NCGC00258261-01 196702471 tox21-ror-cho-viability-p1 set1 4 0.086700588 -5.5822685199 -1 -6.5822685199 4.9549173134 0.4663576718 0.2275912158 -0.7987561 -5.9009597 0.1850358 -2.67007314 3.50711332 -1.572038 -8.39877518 -7.07710655 -1.50408519 -4.0391394 -10.0685571 -9.7416071 -6.01953207 -5.44031784 3.58180886 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.397E-7 0.0000016539999999 0.0000036989999999 0.0000082699999999 0.000018489999999 0.00004135 0.00009247 646-14-0 12589 144207905 A A 1-Nitrohexane [O-][N+](=O)CCCCCC Tox21_200707 -NCGC00258693-01 196702475 tox21-ror-cho-viability-p1 set1 4 0.0000014048 -34.74028338 -23.41453938 -17.41877757 -9.01253917 -6.86025045 -0.30425666 2.06719817 -0.98255225 5.55918704 0.02695443 0.78517913 -1.01718816 0.35776092 4.37664995 -0.40358152 1.16E-9 2.594E-9 5.8009999999E-9 1.297E-8 2.901E-8 6.486E-8 1.45E-7 3.2429999999E-7 7.252E-7 0.000001622 0.0000036259999999 0.000008108 0.000018129999999 0.000040539999999 0.00009065 76-01-7 6419 144208339 A Ac Pentachloroethane ClC(Cl)C(Cl)(Cl)Cl Tox21_201141 -NCGC00258686-01 196702482 tox21-ror-cho-viability-p1 set1 4 5.84804735 0.5817114 1.65665419 0.62114665 4.62131069 1.98391058 3.87445737 5.16875137 3.03064267 2.18299011 2.98281829 1.13789971 3.45267231 -0.08132245 1.34115699 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.00009175 135-23-9 8667 144208332 A A Methapyrilene hydrochloride Cl.CN(C)CCN(Cc1cccs1)c2ccccn2 Tox21_201134 -NCGC00258723-01 196702488 tox21-ror-cho-viability-p1 set1 4 1.05189624 -0.98000806 2.05364639 6.26342423 2.66414221 0.35846771 4.52300628 -4.6465855 1.10853968 0.59243494 4.11429908 0.10336308 1.34479897 3.5484441 3.88286554 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.629E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008287 0.00001853 0.000041429999999 0.00009265 111-16-0 385 144208369 A Ac Heptanedioic acid O=C(O)CCCCCC(=O)O Tox21_201171 -NCGC00257671-01 196702882 tox21-ror-cho-viability-p1 set1 4 67.8230651971 -24.123913892 -1.5 -25.623913892 2.7202212143 0.5613023136 0.1265268235 -2.23779445 5.28643934 -2.25437778 -0.89734974 -1.09314419 0.58526998 -10.83468618 0.66870307 -1.14685546 -4.30857973 5.31282924 -2.40440734 -5.91896697 -4.88260161 -18.43659491 1.1689999999E-9 2.615E-9 5.8469999999E-9 1.3069999999E-8 2.9229999999E-8 6.537E-8 1.462E-7 3.268E-7 7.308E-7 0.0000016339999999 0.0000036539999999 0.0000081709999999 0.00001827 0.00004086 0.000091349999999 2198-59-6 75146 144207315 A D N-Phenyl-1,4-benzenediamine hydrochloride Cl.Nc2ccc(Nc1ccccc1)cc2 Tox21_200117 -NCGC00090986-03 196702900 tox21-ror-cho-viability-p1 set1 -2.4 54.8152787309 -30.3177616679 -0.5 -30.8177616679 3.5117481694 0.8152759341 0.0056867895 -2.57744575 -1.78293229 2.36214705 -1.6390094 -3.59669329 -0.25378675 0.95559592 7.57488893 -4.18595865 3.24239629 -0.60567465 -5.79859189 1.2548855 -9.38585339 -26.51480139 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00255563-01 196701268 tox21-ror-cho-viability-p1 set1 4 1.1539683 1.04856146 1.65460207 -0.7419625 4.15840994 3.21016785 1.19533621 2.81593378 4.28669616 1.18174046 0.05750613 4.34721109 3.26989669 -2.1927186 -1.84563726 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-35-6 13708 144212326 A D Methylparaoxon [O-][N+](=O)c1ccc(OP(=O)(OC)OC)cc1 Tox21_302009 -NCGC00163771-03 196700846 tox21-ror-cho-viability-p1 set1 4 0.99650178 2.523971 3.56570225 -8.18244974 1.47090419 0.55568712 -0.79312554 -2.79428996 -1.65623315 2.35298716 0.63259529 -0.98659245 -0.69213189 0.10800872 3.03217592 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00255327-01 196700847 tox21-ror-cho-viability-p1 set1 4 24.3365162115 10.2906238599 -1.7906238599 8.5 1.92824246 0.7138294737 0.0326975869 -1.5930469 -1.25073756 0.27427044 -0.37691125 -4.57425354 -3.20542174 -5.24218655 -3.05953606 1.94353767 -0.10754094 -4.20347349 -0.16560629 1.98531946 5.52508559 7.83600204 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 737-31-5 23672589 144211756 A A Diatrizoate sodium [Na+].O=C(C)Nc1c(I)c(c(I)c(NC(C)=O)c1I)C([O-])=O Tox21_301439 -NCGC00255822-01 196700851 tox21-ror-cho-viability-p1 set1 4 4.63418857 1.82310295 3.69699935 2.70795773 0.06833008 -6.5560761 -0.21982262 -0.2553242 -0.1965447 8.0214417 2.63137153 2.60170412 3.69297136 4.21351496 9.04441794 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 5496-10-6 79635 144212511 A F 1-Aminocyclohexanecarbonitrile N#CC1(N)CCCCC1 Tox21_302194 -NCGC00257979-01 196701677 tox21-ror-cho-viability-p1 set1 4 0.0027444923 -13.055626672 10 -3.055626672 0.7 0.351678784 0.3350330688 7.59022661 2.39930835 0.19100743 -0.19776788 0.88675629 -3.73234366 -0.23876515 0.3808737 -0.04492426 -10.2382768 0.66906856 -0.24849289 -11.29635556 0.83105979 3.62647721 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.961E-8 6.622E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001655 0.000003702 0.0000082769999999 0.00001851 0.00004139 0.00009254 75-98-9 6417 144207623 A A 2,2-Dimethylpropanoic acid CC(C)(C)C(=O)O Tox21_200425 -NCGC00258423-01 196702314 tox21-ror-cho-viability-p1 set1 4 0.98279721 1.62983101 -0.78426427 -0.69958925 3.36198538 2.916852 3.5729814 0.30338859 -0.3651256 0.65790105 1.34288583 -0.7572621 1.637818 3.27672456 0.28043902 1.167E-9 2.61E-9 5.836E-9 1.305E-8 2.918E-8 6.525E-8 1.459E-7 3.262E-7 7.295E-7 0.000001631 0.000003648 0.000008156 0.000018239999999 0.00004078 0.00009119 6225-06-5 80365 144208067 A A N,N-Dimethylpentanamide CN(C)C(=O)CCCC Tox21_200869 -NCGC00258141-01 196701497 tox21-ror-cho-viability-p1 set1 4 1.47876041 0.64144491 2.43269486 2.47871605 3.94439076 4.05766054 0.83784605 3.74345971 1.8069849 0.36202979 2.45714606 0.75925453 7.16439176 1.70001066 2.26951918 1.179E-9 2.6359999999E-9 5.8929999999E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.294E-7 7.367E-7 0.0000016469999999 0.0000036829999999 0.000008236 0.00001842 0.000041179999999 0.00009208 448245-52-1 11171745 144207785 A A 1-Butyl-3-methylimidazolium dicyanamide CCCCn1cc[n+](C)c1.N#C\N=C=[N-] Tox21_200587 -NCGC00258416-01 196701901 tox21-ror-cho-viability-p1 set1 4 -2.3968475 -0.02606926 3.08772958 0.0875768 0.09900277 -1.47872124 2.33921685 0.03766116 -1.23872931 -1.17005003 -0.088419 5.64558589 5.82681578 5.90243867 0.53207397 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.4729999999E-7 3.295E-7 7.367E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.000041179999999 0.00009209 144-02-5 23681217 144208060 A A Sodium barbital [Na+].CCC1(CC)C(=O)N=C([O-])NC1=O Tox21_200862 -NCGC00258442-01 196701908 tox21-ror-cho-viability-p1 set1 -2.2 55.9820404999 -45.287391529 -2.1185391329 -47.4059306619 2.3331733767 0.9131293905 0.0001582234 -3.69000793 -2.43126849 -4.42792546 -0.48178531 -6.16392828 -5.5607264 -2.6287616 1.25960111 -1.64974478 3.75665598 -3.88854242 1.35440264 -8.9790689 -15.81733048 -37.42873535 1.2069999999E-9 2.6979999999E-9 6.033E-9 1.349E-8 3.017E-8 6.745E-8 1.5079999999E-7 3.373E-7 7.541E-7 0.0000016859999999 0.0000037709999999 0.000008432 0.00001885 0.000042159999999 0.000094269999999 93-05-0 7120 144208086 C N,N-Diethylbenzene-1,4-diamine CCN(CC)c1ccc(N)cc1 Tox21_200888 -NCGC00357003-01 196703602 tox21-ror-cho-viability-p1 set1 4 2.99712018 3.00275192 2.5386233 -0.96652831 -8.19976301 0.26234578 1.39380603 1.46917598 2.75782195 -0.76394007 -0.56789307 -1.36459721 0.28571227 -0.41807854 -0.74864843 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56507-37-0 41909 251919737 A Diketometribuzin O=C1N(N)C(=O)NN=C1C(C)(C)C Tox21_303948 -NCGC00356990-01 196703173 tox21-ror-cho-viability-p1 set1 -2.4 27.3060203028 -26.619123068 1.5 -25.119123068 2.09374246 0.9479524318 0.0000105159 1.01401099 2.77681904 0.0056566 -0.37035588 1.65313624 0.03280973 5.29486872 -0.12204466 4.14600512 -0.94738448 2.40530027 0.29725288 -8.08762669 -15.87277093 -24.26593589 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76703-62-3 6440554 251919709 F gamma-Cyhalothrin Cl\C(=C/[C@H]3[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc1ccccc1)c2)C3(C)C)C(F)(F)F Tox21_303815 -NCGC00258583-01 196703181 tox21-ror-cho-viability-p1 set1 -2.1 63.5004416718 -79.2096582753 -2.751558829 -81.9612171043 3.1924983358 0.954288706 0.0000051363 2.39345412 0.57454099 -6.10501376 0 -6.59299471 1.48837985 -4.33443718 -3.08553367 -0.19101871 -9.7851509 1.11190798 -3.90870692 -8.26338668 -19.06554808 -65.12213417 1.218E-9 2.723E-9 6.0889999999E-9 1.3619999999E-8 3.045E-8 6.808E-8 1.522E-7 3.4039999999E-7 7.611E-7 0.000001702 0.000003806 0.00000851 0.00001903 0.00004255 0.00009514 123-30-8 403 144208228 C 4-Aminophenol Nc1ccc(O)cc1 Tox21_201030 -NCGC00357141-01 196703595 tox21-ror-cho-viability-p1 set1 4 -0.53145077 -1.28265931 0.13380458 1.20698059 2.54391285 -0.22316747 1.56447162 1.78957239 4.31187197 0.28132543 2.46111175 2.1946149 4.26344614 -0.83583871 3.64911351 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-08-5 8871 251919869 A 2-Pyridone O=C1C=CC=CN1 Tox21_303883 -NCGC00260197-01 196704022 tox21-ror-cho-viability-p1 set1 4 68.6593799697 -22.251336156 4 -18.251336156 4.5044702849 0.7224918884 0.0289609191 3.38826718 1.8098727 -0.48746392 2.78617984 6.96226435 1.23249349 1.44798241 9.01976058 1.74083711 3.64883255 6.87518819 8.43330104 3.31330106 1.92918187 -13.54278013 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.0000036909999999 0.000008252 0.000018449999999 0.000041259999999 0.00009226 382150-50-7 10411334 144209847 A A 1-Hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C[n+]1ccn(CCCCCC)c1 Tox21_202649 -NCGC00159462-04 196704419 tox21-ror-cho-viability-p1 set1 4 -4.82425054 -1.76657822 -1.8854856 -3.16516787 -3.02342238 -2.86348284 2.60336494 5.00397226 -0.62025578 1.98072816 2.12048887 1.0416056 -0.101219 -2.59256593 -3.41034129 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 155213-67-5 392622 170464891 A Ritonavir CC(C)c4nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc3cncs3)C(C)C)cs4 Tox21_112969_1 -NCGC00249928-01 196704440 tox21-ror-cho-viability-p1 set1 4 0.35743327 -0.04653916 -1.66161107 -0.30554028 0.69538159 -2.30465897 0.03582756 -0.70215129 0.92089052 1.13800378 -0.5387229 -1.58136514 0.28247143 -0.40287445 0.30453616 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 73310-10-8 72187525 170466007 F Fns Eicosapentaenoic acid ethyl ester O=C(/C=C\C=C/C=C\C=C/C=C\CCCCCCCCC)OCC Tox21_113704 -NCGC00179676-03 196704832 tox21-ror-cho-viability-p1 set1 -2.1 26.6032120037 -88.766607288 -0.791577336 -89.558184624 4.4494702849 0.9966084686 0 -0.04508116 -2.45331434 0.78395284 -1.78695072 0.0088795 -0.90177791 -2.44779602 -2.60416977 -1.76601688 0.05297434 -1.05215628 -1.73766417 0.5864469 -23.24958251 -82.13182052 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52-76-6 5284486 170465984 F Lynestrenol C[C@]32CC[C@@H]1[C@H]4CCCC=C4CC[C@H]1[C@@H]3CC[C@]2(O)C#C Tox21_110319_1 -NCGC00263479-01 196704836 tox21-ror-cho-viability-p1 set1 4 -2.42626025 4.63564485 1.03502294 -0.53494755 -1.11419512 -1.10718819 0.62167812 0.8892812 -0.90523824 -2.61927012 -1.35710123 -0.94043438 0.6564616 -0.68227756 -4.06410157 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 976-71-6 13789 170466206 A Canrenone O=C5CC[C@@]3(CC[C@H]2[C@@H]4C=CC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C)O5 Tox21_111451_1 -NCGC00166298-02 196713007 tox21-ror-cho-viability-p1 set2 4 1.97449362 -0.23178635 0.49410811 -0.68653408 0.46775873 5.02773467 4.93252142 1.03896001 1.53631351 0.84735823 0.90587058 -0.00277845 -0.23315981 -0.55770159 1.96141874 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2919-66-6 250948 170465702 A Melengestrol acetate CC(=O)[C@@]3(OC(C)=O)C(=C)C[C@H]2[C@@H]4C=C(C)C1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_111887_1 -NCGC00015701-06 196713416 tox21-ror-cho-viability-p1 set2 4 1.3333190233 11.8922935439 -4.8922935439 7 0.5 0.7216886803 0.0297744758 -2.7257331 -8.66024462 -4.73139178 -5.04540594 -2.48156715 -6.04250545 -2.99200778 -1.94157782 -2.32980991 -3.13660694 -2.35463109 -0.91151229 0.16665994 0.537851 4.92529398 5.899E-11 1.319E-10 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 672-87-7 441350 170465112 I Metyrosine Oc1ccc(C[C@](C)(N)C(=O)O)cc1 Tox21_111253_1 -NCGC00164515-02 196712997 tox21-ror-cho-viability-p1 set2 4 -0.81598171 2.89910198 -0.77936825 3.24901867 1.61889033 0.4745621 2.85168226 0.03255283 2.26024531 1.51198703 -3.96721389 -3.42165368 -2.30486448 -4.70404125 -3.11803675 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 115-24-2 8262 170466821 F Sulfonmethane CC(C)(S(=O)(=O)CC)S(=O)(=O)CC Tox21_112150_1 -NCGC00263563-01 196713014 tox21-ror-cho-viability-p1 set2 -1.1 3.7578035763 -80.7782346209 2.8076462194 -77.9705884015 0.7999999999 0.9905295249 6E-10 1.96783751 1.71061964 2.80380838 3.25884017 1.97382498 0.0433928 -1.04091211 -0.18893961 -9.78922698 -13.88404076 -26.0003139 -45.22081021 -46.7265222 -59.92873499 -70.58823544 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84878-61-5 20054964 170466228 F Maduramicin ammonium [NH4+].O[C@]1(CC([O-])=O)O[C@H]([C@H](OC)[C@@H](OC)[C@@H]1C)[C@H](C)[C@H]2O[C@]3(C[C@H](O)[C@H]2C)CC[C@](C)(O3)[C@H]4CC[C@](C)(O4)[C@@H]6O[C@H](C[C@@H]6OC5C[C@H](OC)[C@@H](OC)[C@H](C)O5)[C@H]7O[C@](C)(O)[C@H](C)C[C@@H]7C Tox21_113443_1 -NCGC00167737-02 196713418 tox21-ror-cho-viability-p1 set2 4 0.0037578036 -10.632887148 10 -0.632887148 3.0654483358 0.8971479736 0.0003769544 10.18725451 8.60906282 9.12853136 -2.02796847 -0.23985358 -2.61073929 -0.47128055 0.09007152 -1.61297635 -1.12766948 0.70852922 -0.19547149 0.66413292 -0.62946885 -1.06121254 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103878-83-7 163727 170466038 A Lazabemide hydrochloride Cl.Clc1cnc(cc1)C(=O)NCCN Tox21_112582_1 -NCGC00261975-01 196713429 tox21-ror-cho-viability-p1 set2 4 -3.18378717 -0.70051529 -3.07312169 -3.19348506 -2.51873598 0.13817418 -2.03378732 -1.22202012 -1.30695095 -3.59186183 -3.63885263 1.87185942 -3.63098403 -3.10681749 -5.84619723 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17814-85-6 161236 170466747 A A (4-Carboxybutyl)triphenylphosphonium bromide [Br-].O=C(O)CCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3 Tox21_113895 -NCGC00090693-11 196713433 tox21-ror-cho-viability-p1 set2 4 1.92088063 5.38077734 3.21949226 -0.06845026 1.15999855 1.59694331 2.50570221 1.65020743 0.11254784 -3.26644773 3.07409418 1.64588633 0.0920528 2.83324001 3.92804411 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25162-00-9 157672 170464932 Z D-Nicotine CN2CCC[C@@H]2c1cnccc1 Tox21_112053_1 -NCGC00183861-01 196713830 tox21-ror-cho-viability-p1 set2 4 3.66480693 -0.94892006 4.59744883 -2.56450798 0.61116045 -2.4284889 0.30736253 -2.07893214 -1.44538663 -0.91330212 3.24269238 -0.87947335 3.92627161 -2.36717987 2.22164839 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 185517-21-9 208925 144206875 Fc Fc (2R)-2-Propyloctanoic acid O=C(O)[C@@H](CCCCCC)CCC Tox21_113324 -NCGC00253585-01 196713838 tox21-ror-cho-viability-p1 set2 4 5.9557173066 5.2281759119 -0.7281759119 4.5 4.9549173134 0.4317811577 0.2638470464 0.11834205 -1.25942067 -0.66213425 1.34160714 1.0410673 -1.02733707 0.67032558 -1.14891437 -3.10681326 1.2469581 -2.73476848 -1.67451613 7.31755007 1.30444078 -1.04511508 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 139-62-8 10839 170465528 A A Cyclomethycaine CC3CCCCN3CCCOC(=O)c2ccc(OC1CCCCC1)cc2 Tox21_113723 -NCGC00091326-06 196713847 tox21-ror-cho-viability-p1 set2 4 0.84470206 -0.70374211 0.61292918 -5.28498245 -4.91252219 -2.66880862 2.40495605 2.46440581 0.06567254 -1.50617383 -2.80404149 -1.80920459 0.33049567 -4.58971497 0.29602395 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103-84-4 904 170465493 A Acetanilide O=C(C)Nc1ccccc1 Tox21_111113_1 -NCGC00178782-04 196713849 tox21-ror-cho-viability-p1 set2 4 14.9600854925 14.0347644681 0.9652355319 15 3.1319983358 0.9137811434 0.0001540275 -1.2077434 2.16926044 2.20836979 1.85222591 1.52477819 1.05854889 1.79872428 0.26516776 1.44646019 -2.52897039 1.28572302 0.39168634 2.10694492 12.8896544 15.5266798 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13412-64-1 23675786 170465296 A Dicloxacillin sodium salt monohydrate [Na+].O.O=C([O-])[C@@H]3N4C(=O)[C@@H](NC(=O)c2c(C)onc2c1c(Cl)cccc1Cl)[C@H]4SC3(C)C Tox21_113495_1 -NCGC00254784-01 196714247 tox21-ror-cho-viability-p1 set2 4 0.90175072 1.48743991 1.0731649 0.00468922 1.09211972 1.68715021 0.87856291 -0.00816073 -0.2556306 1.6033792 0.20176997 3.39437988 6.2239367 1.57550944 2.72850462 1.482E-9 3.315E-9 7.412E-9 1.657E-8 3.706E-8 8.286E-8 1.8529999999E-7 4.143E-7 9.2649999999E-7 0.000002072 0.000004632 0.000010359999999 0.00002316 0.00005179 0.0001158 111-29-5 8105 144211197 A A 1,5-Pentanediol OCCCCCO Tox21_300880 -NCGC00015760-12 196712608 tox21-ror-cho-viability-p1 set2 4 -0.16923639 1.65544257 -0.41609843 -3.91209108 -2.55761237 0.56148361 -0.06582617 0.52507741 -0.46094892 -2.97313979 0.43838617 0.37691094 0.05387106 0.6820686 6.01850215 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104-14-3 4581 170465959 Z Octopamine OC(CN)c1ccc(O)cc1 Tox21_110215_1 -NCGC00257018-01 196726877 tox21-ror-cho-viability-p1 set3 4 15.3553036427 9.699954472 0.800045528 10.5 1.9673362061 0.5816871069 0.1111566629 3.11821719 -2.24996206 -1.0264599 0.6055722 -1.27576447 3.35397349 8.6265969 -1.15559491 -0.20926495 -2.06988643 0 1.15113502 8.51524467 8.51688295 10.10135973 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1115-20-4 14218 144213617 F A 3-Hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropanoate CC(C)(CO)COC(=O)C(C)(C)CO Tox21_303300 -NCGC00256732-01 196726862 tox21-ror-cho-viability-p1 set3 4 -0.13812856 -0.52768855 0.43644646 3.34698213 -0.21897372 0.18289933 3.74418523 4.95713026 5.04848964 6.14259411 0.55151179 3.08867371 3.82794027 5.1410995 0.88938007 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 502-47-6 10402 144213011 A A Citronellic acid O=C(O)CC(C)CC\C=C(/C)C Tox21_302694 -NCGC00256416-01 196726865 tox21-ror-cho-viability-p1 set3 4 -0.26783495 -0.41215875 3.53345457 3.48620376 5.01955797 3.23302918 3.94623779 3.53516503 3.86236301 6.61616276 9.01917536 0.38417202 5.12309182 4.08082477 5.40963164 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15687-27-1 3672 144213146 A A Ibuprofen CC(C(=O)O)c1ccc(CC(C)C)cc1 Tox21_302829 -NCGC00091205-03 196726867 tox21-ror-cho-viability-p1 set3 4 1.00664287 1.71582155 -3.56288392 0.11026603 -0.09112631 0.50205528 -5.65249983 2.06089706 1.93417255 1.61739532 1.10064569 0.29204666 -0.08833706 -0.94371445 0.15289128 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00256738-01 196727282 tox21-ror-cho-viability-p1 set3 -1.1 0.6113056486 -80.3684621915 -1.18691343 -81.5553756215 2.1210667061 0.9933951984 1E-10 -3.00960301 -1.82097499 -4.13070695 0.01765306 0.29230243 0.28520759 -1.19608258 -19.20421006 -52.47552033 -71.0266789 -72.6463625 -84.22095488 -81.04785713 -81.73412145 -86.57683187 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1162-06-7 16682953 144212799 F F Triphenyllead acetate CC(=O)O[Pb](c1ccccc1)(c2ccccc2)c3ccccc3 Tox21_302482 -NCGC00256493-01 196727284 tox21-ror-cho-viability-p1 set3 4 3.22022747 2.37473509 -0.31533722 -0.31271463 1.46818252 0.35133598 2.85147067 0.74748773 4.42656214 4.24455768 0.77233094 0.69961438 -0.68290925 -3.30107549 -4.15453411 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 3883-43-0 5284382 144213123 Z F 2,3-Dichloro-p-dioxane Cl[C@H]1OCCO[C@@H]1Cl Tox21_302806 -NCGC00256862-01 196727291 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -16.0430611399 1 -15.0430611399 4.9549173134 0.7451652809 0.0212921835 -0.96698719 2.4418198 1.08125168 0.00208266 0.61312514 1.54514223 -2.10477069 -1.16959925 4.30351457 0.55937814 2.10312753 -1.44839662 3.0572447 2.11773677 -11.70255095 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-53-7 7659 144212950 A A 2-Phenylethyl 3-phenylprop-2-enoate O=C(OCCc1ccccc1)C=Cc2ccccc2 Tox21_302633 -NCGC00090702-02 196727295 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -10.74381878 -0.5 -11.24381878 4.9549173134 0.4649057544 0.2134146969 2.81408134 -1.62033626 0.73022236 -0.0563663 -2.29603054 -6.40703684 -1.79581477 1.56019221 0.91723669 0.91361253 0.9401432 -0.97488684 -0.9361478 1.42869822 -8.53651565 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00255387-01 196727791 tox21-ror-cho-viability-p1 set3 4 0.685896219 16.003317088 -2.003317088 14 0.7999999999 0.6625222827 0.0678840443 -1.26877849 -0.88592599 -1.95127995 -1.1747136 -1.75606147 -6.25276424 9.64481953 1.81769366 7.65618137 6.68117991 8.6785475 12.27367952 21.82676077 6.80340911 0.09575737 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13952-84-6 24874 144211638 FNS 2-Butanamine CC(N)CC Tox21_301321 -NCGC00094521-05 196727777 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -11.4004686919 1.5 -9.9004686919 4.9549173134 0.7950201938 0.0091665365 0.28883615 0.52514793 1.99065507 2.39928671 0.77511161 -1.31169197 0.57894225 0.62349446 2.43114026 2.99700748 0.23797348 2.25957391 2.48833694 0.68690587 -7.83372391 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009215 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00256994-01 196727780 tox21-ror-cho-viability-p1 set3 4 0.0013685429 26.884849176 -28.884849176 -2 0.7 0.3886258383 0.28265405 -15.30593298 -15.49767415 -8.93916542 0 0 -21.15404098 0 -2.10396145 0 0 0 0.12307669 -6.33702965 -1.83462953 -1.46593068 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-51-1 7390 144213518 Cc Fns 4-tert-Butyltoluene Cc1ccc(cc1)C(C)(C)C Tox21_303201 -NCGC00163903-03 196727785 tox21-ror-cho-viability-p1 set3 4 -0.45248895 2.82484094 0.21680005 0.08258035 2.9036689 1.69014267 -0.75820902 1.05260336 -0.51549599 0.03960068 2.32715831 1.02563442 1.8687351 3.40827563 2.59192012 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00260565-01 196703756 tox21-ror-cho-viability-p1 set1 4 0.48967637 -6.94315281 -8.05617001 -7.4655726 -0.57286201 -5.35717887 -5.13692428 -0.30488017 -11.67282627 -5.55564982 -3.05186643 -7.11170594 -6.09117222 -0.88413322 -4.25481499 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49461 144210218 M M NTP Mix73 CT1 62-EQP Tox21_203020 -NCGC00260185-01 196703746 tox21-ror-cho-viability-p1 set1 4 61.6904908231 10.2459014359 -1.2459014359 9 3.2974983358 0.463526575 0.2147802273 0.35270904 -5.62158453 -0.75425573 -2.94072191 -0.474222 -0.3747165 -3.57436342 0.61641238 0.51940052 -0.97177405 0.86064183 -4.35480038 3.00537616 0.38856779 6.80459604 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.971E-8 6.6439999999E-8 1.486E-7 3.3219999999E-7 7.428E-7 0.0000016609999999 0.000003714 0.000008305 0.00001857 0.00004152 0.00009285 174899-72-0 16210995 144209835 A Ac 1-Ethyl-2,3-dimethylimidazolium trifluoromethanesulfonate C[n+]1ccn(CC)c1C.FC(F)(F)S([O-])(=O)=O Tox21_202637 -NCGC00260558-01 196703748 tox21-ror-cho-viability-p1 set1 4 2.26039646 -5.57854731 -5.19270778 -3.87665175 1.59634939 -2.23157277 -0.27413212 -4.19335282 -1.97486487 -3.07086521 1.18114502 1.02784768 0.74959009 -4.63852351 3.41822035 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49454 144210211 M M NTP Mix66 CT1 62-EQP Tox21_203013 -NCGC00357267-01 196703750 tox21-ror-cho-viability-p1 set1 4 27.3060203028 11.7503820761 1.2496179239 13 0.7 0.4929143983 0.1861715502 0.04147183 3.00197498 -0.73972502 0.67412579 -1.14342726 1.09724501 6.92509233 0.622679 4.57101217 -1.45865173 7.04800044 0.28479698 9.26415988 7.72612331 9.2116736 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-87-2 7962 251919824 Fns Methylcyclohexane CC1CCCCC1 Tox21_303867 -NCGC00260160-01 196703763 tox21-ror-cho-viability-p1 set1 4 1.46988488 1.04427373 -1.42185614 -3.53915748 -3.08244105 0.37284502 -1.97682532 0.77150426 -0.33387181 -2.06621346 -0.35225156 -0.48098329 -1.25594711 1.72635763 0.63754295 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.3529999999E-7 0.0000016439999999 0.0000036769999999 0.000008221 0.000018379999999 0.00004111 0.00009192 2179-59-1 16591 144209810 Z Fc Allyl propyl disulfide CCCSSCC=C Tox21_202612 -NCGC00164482-02 196704170 tox21-ror-cho-viability-p1 set1 4 -3.72699483 0.35284684 -4.06075734 0.56264355 -3.60857995 1.80143418 0.12928693 3.08271616 0.96094894 2.12532357 3.35065861 3.12178263 0.83521116 0.3791184 4.12232653 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94746-78-8 779179 170466559 A Molracetam O=C(CN1CCN(CC1)C(=O)c2ccc(OC)cc2)N3CCOCC3 Tox21_112124_1 -NCGC00016065-11 196704175 tox21-ror-cho-viability-p1 set1 4 0.54962764 -1.85655459 -1.50226436 1.89484513 2.13344058 -2.89238686 -0.36349811 -0.19461633 1.27769274 -1.05588617 -3.97679367 0.18803716 -3.81846825 0.79961677 3.40842628 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1508-75-4 5593 170464754 A Tropicamide OCC(c1ccccc1)C(=O)N(CC)Cc2ccncc2 Tox21_110297_1 -NCGC00094852-03 196704180 tox21-ror-cho-viability-p1 set1 4 0.1883363179 4.5458468279 -1.5458468279 3 1.55794881 0.429891078 0.2460440205 -2.53590675 0.00836958 -0.98627067 -3.78745442 1.15809886 -3.78820569 -0.58337013 1.74363778 1.21781638 -0.201716 7.38494988 4.99289229 -1.23151859 0.83138619 5.68135745 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-48-9 5819 170465450 A Levothyroxine O=C(O)[C@@H](N)Cc2cc(I)c(Oc1cc(I)c(O)c(I)c1)c(I)c2 Tox21_112101_1 -NCGC00262913-01 196704580 tox21-ror-cho-viability-p1 set1 4 1.15101349 0.21117795 1.31629784 2.33994075 -1.90750618 0.44856771 -1.98920982 -1.36443384 -2.88616567 -1.67445483 -2.25337659 0.67581004 0.43146836 1.15130311 2.35263723 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 28315-93-7 119921 170466697 A A 5-Hydroxy-1-tetralone Oc2cccc1c2CCCC1=O Tox21_113911 -NCGC00259579-01 196706275 tox21-ror-cho-viability-p1 set1 -1.2 17.1413664733 -59.0854766519 2.6924211335 -56.3930555184 2.0478617061 0.9550114941 0.0000047017 6.67588914 3.93912165 0.08659134 1.28168603 0.00249777 0.04587668 1.6571757 2.98876663 4.25124644 13.16368012 -7.43903931 -7.64642333 -25.32907139 -52.20493646 -52.98789721 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003673 0.0000082119999999 0.000018359999999 0.00004106 0.000091819999999 101-20-2 7547 144209228 A A Triclocarban Clc2ccc(NC(=O)Nc1ccc(Cl)cc1)cc2Cl Tox21_202030 -NCGC00259026-01 196705859 tox21-ror-cho-viability-p1 set1 -2.1 27.6894569451 -82.7056203283 4.097151384 -78.6084689443 0.6999999999 0.9303843632 0.000049871 0.6830549 7.74752615 1.73698538 3.35770845 6.13471856 -1.05577163 1.70944081 1.51800991 -0.47068737 3.05465596 -20.5748428 -29.93408396 -31.04036401 -34.74726019 -60.30944617 1.314E-9 2.938E-9 6.569E-9 1.469E-8 3.284E-8 7.344E-8 1.642E-7 3.672E-7 8.211E-7 0.000001836 0.000004105 0.0000091799999999 0.00002053 0.0000459 0.00010259999999 75330-75-5 53232 144208673 A A Lovastatin C[C@@H](CC)C(=O)O[C@H]2C[C@@H](C)C=C3C=C[C@H](C)[C@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@@H]23 Tox21_201475 -NCGC00163818-04 196705860 tox21-ror-cho-viability-p1 set1 -1.2 2.3131469405 -29.8420025679 1.5 -28.3420025679 4.9549173134 0.9805913093 4E-8 2.02708136 -0.93769315 2.40413578 4.63975198 -0.21999241 1.77836036 1.0236296 -1.24216825 2.65850017 -1.90544451 -28.5673699 -28.57048317 -30.28500214 -25.07479867 -27.68846433 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00259504-01 196705864 tox21-ror-cho-viability-p1 set1 4 -3.40932315 -0.38794054 -10.12208474 -3.31477033 0.76564129 4.32994489 -8.37519461 -0.12505992 -4.2916576 -17.55788299 -0.61969178 -0.79501705 0.0561539 0.73901643 -6.06610609 1.2009999999E-9 2.686E-9 6.005E-9 1.3429999999E-8 3.003E-8 6.714E-8 1.501E-7 3.3569999999E-7 7.507E-7 0.000001679 0.000003753 0.000008393 0.000018769999999 0.00004196 0.000093829999999 1563-66-2 2566 144209153 A A Carbofuran CNC(=O)Oc1cccc2CC(C)(C)Oc12 Tox21_201955 -NCGC00259849-01 196706093 tox21-ror-cho-viability-p1 set1 -2.2 48.9036036319 -40.072040012 1.5 -38.572040012 3.1319983358 0.9453764193 0.0000136486 -2.89923106 5.30081914 1.50014452 -0.98706963 -1.49141857 0.92829546 3.34697462 -1.64470629 3.47484301 3.63020403 1.38427628 1.9775407 0.42982644 -14.60241785 -33.3879091 1.187E-9 2.6549999999E-9 5.937E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 836-30-6 13271 144209498 A A 4-Nitro-N-phenylaniline [O-][N+](=O)c2ccc(Nc1ccccc1)cc2 Tox21_202300 -NCGC00091650-03 196705676 tox21-ror-cho-viability-p1 set1 4 3.60143269 2.39977788 0.71011435 3.58712877 -0.03734037 2.04458436 -1.31842909 3.9674419 7.14799091 14.92038086 -1.46859814 2.05398287 -0.35382866 -1.25522246 0.85566611 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00258924-01 196705688 tox21-ror-cho-viability-p1 set1 4 -1.54085481 11.33788884 1.89399184 1.77628371 -1.36872246 -0.40346758 1.82935359 0.50232373 5.86661979 1.64899042 2.9173443 1.89496969 2.78149327 -1.2881706 0.14299407 1.1859999999E-9 2.653E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001854 0.00004145 0.00009268 111-87-5 957 144208571 A A 1-Octanol CCCCCCCCO Tox21_201373 -NCGC00259750-01 196706088 tox21-ror-cho-viability-p1 set1 4 -11.58320585 -2.80278491 -7.78625521 -12.48889251 -14.40468816 -6.5536981 -5.93930241 -11.21677379 -1.7607284 -12.572601 1.29035795 -8.34948101 -24.27697127 -29.03127561 -23.78405364 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003668 0.000008201 0.00001834 0.000041009999999 0.00009169 7534-94-3 904857 144209399 A Ac Isobornyl methacrylate C=C(C)C(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C Tox21_202201 -NCGC00259244-01 196706500 tox21-ror-cho-viability-p1 set1 4 7.87619041 5.26910291 0.13289173 7.49032111 7.72915083 3.54507241 3.76585005 -3.448152 9.72295724 14.96201518 8.67648965 3.87085411 4.15942244 5.38044425 4.82863727 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.484E-7 3.317E-7 7.4179999999E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.000041469999999 0.000092719999999 7398-69-8 33286 144208893 B A Dimethyldiallylammonium chloride [Cl-].C=CC[N+](C)(C)CC=C Tox21_201695 -NCGC00259034-01 196706502 tox21-ror-cho-viability-p1 set1 4 4.03387946 8.95695586 3.78765704 4.56565696 -0.3211315 4.09290649 -0.47025666 0.24267793 1.05034184 12.57909539 4.41158064 6.75692099 -2.39565027 -1.33943374 8.03360809 1.224E-9 2.7369999999E-9 6.1209999999E-9 1.369E-8 3.0599999999E-8 6.843E-8 1.5299999999E-7 3.422E-7 7.651E-7 0.000001711 0.000003826 0.000008554 0.000019129999999 0.00004277 0.00009564 123-76-2 11579 144208681 A A 4-Oxopentanoic acid CC(=O)CCC(=O)O Tox21_201483 -NCGC00259845-01 196706505 tox21-ror-cho-viability-p1 set1 4 -3.31142925 -3.44561769 3.81873865 5.98577595 -0.19452408 0.23458634 1.24515928 3.52726008 4.58555465 18.68305644 6.60405747 0.07447565 1.85251937 2.66907264 0.96893233 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004125 0.00009223 68515-48-0 590836 144209494 A Z DINP branched CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C Tox21_202296 -NCGC00259186-01 196706514 tox21-ror-cho-viability-p1 set1 4 0.4191640564 7.6231307479 -8.6231307479 -1 2.2526478767 0.3541346637 0.3160063454 1.10549497 -0.93029794 -16.94936824 -6.9038966 -10.09768241 -17.18594229 -10.64093552 -3.20635264 -4.21286593 0 -6.38867467 0.58282927 1.70124989 0.77646682 -1.13884037 1.149E-9 2.568E-9 5.743E-9 1.284E-8 2.8709999999E-8 6.421E-8 1.436E-7 3.21E-7 7.1789999999E-7 0.0000016049999999 0.000003589 0.0000080259999999 0.00001795 0.00004013 0.00008973 16219-75-3 27756 144208835 5-Ethylidene-2-norbornene CC=C2CC1C=CC2C1 Tox21_201637 -NCGC00260298-01 196704042 tox21-ror-cho-viability-p1 set1 4 2.52444665 0.35965466 0.81279692 -0.59523656 -0.65591177 -5.69724454 -4.70475383 -0.38735076 -2.60268149 0.30676204 0.46350842 -2.36542275 -2.85428215 -7.03620369 -2.35959015 5.873E-10 1.313E-9 2.9369999999E-9 6.566E-9 1.468E-8 3.283E-8 7.3419999999E-8 1.642E-7 3.6709999999E-7 8.2079999999E-7 0.0000018349999999 0.000004104 0.0000091769999999 0.00002052 0.00004588 5281-04-9 9571018 144209948 Z F D&C Red No. 7 [Ca+2].O=S([O-])(=O)c3cc(C)ccc3/N=N/c1c2ccccc2cc(C([O-])=O)c1O Tox21_202750 -NCGC00260585-01 196703626 tox21-ror-cho-viability-p1 set1 4 -8.04945399 -2.29816276 -0.00632022 -2.31511878 0.34832376 -3.31342264 -2.45659955 0.39040976 -5.69468616 0.25096501 -2.11097583 -0.22392721 -9.00168757 -10.17256902 0.43095643 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49481 144210238 M M NTP Mix44 CT1 3-EQP Tox21_203040 -NCGC00260103-01 196704028 tox21-ror-cho-viability-p1 set1 4 5.90013184 3.26160671 3.30222656 4.4120898 3.26670006 -0.468572 2.70881812 -1.22466367 2.20933699 0.46020495 2.72877812 1.30041251 1.2574787 4.1827366 3.02448564 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 25167-70-8 7868 144209752 F 2,4,4-Trimethylpentene C=C(C)CC(C)(C)C Tox21_202554 -NCGC00356996-01 196704033 tox21-ror-cho-viability-p1 set1 4 0.0432771257 -7.5782155399 -2.107287608 -9.6855031479 4.9549173134 0.6738703837 0.0616545334 -4.00816994 -3.55661216 -0.08940634 -3.75922517 -0.35904432 -10.74261942 -14.73791929 -7.31427256 -7.3795281 -11.21460471 -9.92204592 -10.7985742 -6.98649356 -7.06059918 5.42938018 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 584-03-2 11429 251919752 A 1,2-Butanediol CCC(O)CO Tox21_303800 -NCGC00022882-03 196704867 tox21-ror-cho-viability-p1 set1 4 1.08535294 0.00879096 2.2881251 0.85496866 -0.46962921 -1.62091654 2.81389862 2.32419878 3.7723429 2.08619814 6.37744505 2.32039873 2.6878048 2.61012966 5.50873193 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 364-98-7 3019 170465328 A Diazoxide Clc1ccc2N=C(C)NS(=O)(=O)c2c1 Tox21_110132_1 -NCGC00254734-01 196714664 tox21-ror-cho-viability-p1 set2 4 1.5980416 1.57573001 3.53658077 3.54997886 -0.40566818 2.30688868 2.75281274 2.05060482 0.18137719 3.70089879 -0.83094666 4.40493696 1.90292225 1.88974726 1.83905194 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23564-05-8 3032791 144211147 A A Thiophanate-methyl S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC Tox21_300830 -NCGC00254799-01 196714662 tox21-ror-cho-viability-p1 set2 4 0.44297696 0.61875294 -0.05354876 -0.1069151 0.76342203 2.01136965 0.46929702 0.4414863 0.15655193 0.13907156 0.39704932 0.34682955 0.10084652 -0.09810051 -7.64032472 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1777-82-8 15684 144211212 A A 2,4-Dichlorobenzyl alcohol OCc1ccc(Cl)cc1Cl Tox21_300895 -NCGC00254381-01 196715083 tox21-ror-cho-viability-p1 set2 -2.1 61.130564862 -116.0491549709 0.4176216569 -115.631533314 2.6384283767 0.9891044537 1.4E-9 1.10471807 -1.24989654 0.99970201 -1.15986749 2.27837012 2.26595493 3.22413698 0.64824819 0.36885394 0.01360284 1.04684679 -1.14793556 -11.44991271 -27.10144812 -87.59964645 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 676116-04-4 9984487 144210755 A A PD 0343701 CS(=O)(=O)O.Cc2cc(cc1c2NC(=O)CC1(C)C)CCN3CCN(CC3)c5nsc4ccccc45 Tox21_300437 -NCGC00254509-01 196715090 tox21-ror-cho-viability-p1 set2 4 24.6338054114 9.2831378319 -2.2831378319 7 4.9549173134 0.6815683629 0.0583639786 -5.65261486 -1.71526821 -1.88121614 -3.16560538 -2.39974584 -1.39139537 0.70117546 -3.96266354 -1.19514724 -0.22438508 -1.98323068 -2.13657066 -0.4469707 6.25791812 0.76002623 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 89-04-3 6960 144210957 AC Fns Trioctyl trimellitate O=C(OCCCCCCCC)c1cc(C(=O)OCCCCCCCC)c(cc1)C(=O)OCCCCCCCC Tox21_300640 -NCGC00257631-01 196715500 tox21-ror-cho-viability-p1 set2 4 59.3321913115 12.88690372 -1.88690372 11 2.6384283767 0.7195163058 0.0306641681 0.07666239 1.51251176 -1.44054314 -2.84105962 -2.19975678 -2.88895752 -2.98931005 -4.9057531 -1.61144078 -2.29037195 -2.65559075 0.70630948 -0.07869207 1.20269781 8.09912344 1.1509999999E-9 2.5739999999E-9 5.7559999999E-9 1.2869999999E-8 2.878E-8 6.435E-8 1.4389999999E-7 3.217E-7 7.194E-7 0.000001609 0.0000035969999999 0.000008044 0.00001799 0.00004022 0.00008993 107-45-9 61017 144207275 FNS 2,4,4-Trimethyl-2-pentanamine CC(C)(C)CC(C)(C)N Tox21_200077 -NCGC00257699-01 196715927 tox21-ror-cho-viability-p1 set2 4 2.55693253 3.62178572 1.4482836 4.34986185 2.23134067 1.07180443 1.94155067 6.94234442 1.30334345 3.78821181 3.06038453 5.95663624 1.09720655 0.84560809 2.7950215 1.182E-9 2.644E-9 5.9109999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.305E-7 7.3889999999E-7 0.0000016519999999 0.0000036949999999 0.000008261 0.000018469999999 0.00004131 0.000092359999999 50-99-7 5793 144207343 FNS D-Glucose O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1O Tox21_200145 -NCGC00258181-01 196715932 tox21-ror-cho-viability-p1 set2 4 1.81197592 2.32366907 0.61116831 -2.46642234 3.88200122 3.91552445 0.07793916 4.81738535 2.87865996 0.32028627 0.00841392 0.344659 1.04514453 1.49653541 6.35600809 1.1509999999E-9 2.5739999999E-9 5.7559999999E-9 1.2869999999E-8 2.878E-8 6.435E-8 1.4389999999E-7 3.217E-7 7.194E-7 0.000001609 0.0000035969999999 0.000008044 0.00001799 0.00004022 0.00008993 77-76-9 6495 144207825 FNS 2,2-Dimethoxypropane CC(C)(OC)OC Tox21_200627 -NCGC00257605-01 196715933 tox21-ror-cho-viability-p1 set2 4 15.0124049702 -6.3776278879 0 -6.3776278879 4.9549173134 0.3548625427 0.3173710312 1.15979065 3.5353212 -6.03578252 -1.25194478 -6.78754257 2.85284044 0.27428237 1.88517777 0.75433726 -0.81155075 -1.22412729 2.91089579 -4.84728649 -7.39802324 -4.69370754 1.158E-9 2.5899999999E-9 5.7909999999E-9 1.2949999999E-8 2.8949999999E-8 6.474E-8 1.448E-7 3.2369999999E-7 7.239E-7 0.0000016189999999 0.000003619 0.000008093 0.0000181 0.00004047 0.00009048 101-39-3 7557 144207249 A A alpha-Methyl cinnamaldehyde CC(=Cc1ccccc1)C=O Tox21_200051 -NCGC00253958-01 196713877 tox21-ror-cho-viability-p1 set2 4 -5.21201185 -2.42420369 -2.0315403 -3.99809132 0.41118128 -8.29637626 -7.804515 -5.24436769 -4.41148827 -3.61233834 0.04665817 0.86758146 -1.67771682 -3.03004557 -1.69497307 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-05-0 8158 144210342 A A Nonanoic acid O=C(O)CCCCCCCC Tox21_300022 -NCGC00254346-01 196713870 tox21-ror-cho-viability-p1 set2 4 0.1368542878 -9.266322504 0.5 -8.766322504 4.9549173134 0.4742111773 0.2187914697 0.8646283 0.42863927 0.53014356 0.32787793 0.35990134 -0.81615543 -4.76259532 -16.0008809 -15.35592302 0.44975878 -4.83123412 -5.17233771 -16.47193542 -4.07248449 2.35799512 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-25-2 643820 144210860 D (2Z)-3,7-Dimethylocta-2,6-dien-1-ol C\C(C)=C\CCC(/C)=C\CO Tox21_300542 -NCGC00254179-01 196713872 tox21-ror-cho-viability-p1 set2 4 2.7278253826 6.27666884 -1.77666884 4.5 2.4063783767 0.7314814309 0.0331569983 -2.97896081 -0.90777647 -3.79431552 -0.950531 -1.77526745 -4.8138907 0.09497252 1.03510762 -1.85392685 -0.25859298 2.497435 3.89089102 6.48695315 2.83227534 -7.5425995 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 302-79-4 444795 144210625 C D all-trans-Retinoic acid CC=1CCCC(C)(C)C=1/C=CC(\C)=C\C=C\C(\C)=C\C(=O)O Tox21_300305 -NCGC00254659-01 196713873 tox21-ror-cho-viability-p1 set2 -1.1 0.1722893406 -76.4858194935 -0.757770194 -77.2435896875 4.9549173134 0.8815813618 0.0007381245 0.44703061 0.61613573 -0.10554803 0.62104755 -2.7000394 -6.22389426 -23.52008658 -81.72966526 -85.37800938 -36.30704404 -58.59999399 -86.95804905 -88.22861217 -85.89453022 -91.95665439 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76-87-9 6327657 144211071 A Triphenyltin hydroxide O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3 Tox21_300754 -NCGC00258498-01 196729369 tox21-ror-cho-viability-p1 set3 4 10.5179297475 -5.0383546519 -0.5 -5.5383546519 3.5117481694 0.4231602349 0.2528021867 -0.76453378 -3.09697199 1.15008656 -4.09637035 1.61696362 -4.35238106 1.53274851 2.3126786 1.1001832 -1.08559754 0 0 -8.78196221 -3.67680107 -4.68955862 1.148E-9 2.566E-9 5.739E-9 1.2829999999E-8 2.8689999999E-8 6.4159999999E-8 1.4349999999E-7 3.2079999999E-7 7.173E-7 0.000001604 0.000003587 0.00000802 0.00001793 0.0000401 0.00008967 82854-37-3 5281771 144208143 A A Echinacoside Oc1ccc(cc1O)/C=C/C(=O)O[C@@H]5[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@H]5O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O Tox21_200945 -NCGC00257968-01 196729358 tox21-ror-cho-viability-p1 set3 4 -0.75426957 -0.42032714 0.1032476 0.85032722 -2.29703904 -1.30620377 -0.62083395 -0.4547984 0.14712618 7.35865259 0.15811877 6.51408884 2.44329835 -4.62482244 0.36812736 1.229E-9 2.748E-9 6.144E-9 1.374E-8 3.072E-8 6.869E-8 1.5359999999E-7 3.435E-7 7.68E-7 0.000001717 0.00000384 0.000008587 0.0000192 0.00004293 0.000096 123-54-6 31261 144207612 AC 2,4-Pentanedione CC(=O)CC(C)=O Tox21_200414 -NCGC00258053-01 196729355 tox21-ror-cho-viability-p1 set3 4 0.28624292 0.79989403 2.66417827 -0.2319395 0.31878099 0.91363618 1.61866331 1.53854757 0.10583944 3.85925612 2.61115582 3.1114408 -1.5109083 0.78726968 -1.74140368 1.218E-9 2.723E-9 6.0889999999E-9 1.361E-8 3.044E-8 6.807E-8 1.522E-7 3.4039999999E-7 7.611E-7 0.000001702 0.000003805 0.000008509 0.00001903 0.00004255 0.000095129999999 3741-38-6 77342 144207697 FNS Glycol sulfite O=S1OCCO1 Tox21_200499 -NCGC00257877-01 196729368 tox21-ror-cho-viability-p1 set3 4 0.73468979 0.79342855 2.17007137 -3.60942475 -3.26517688 1.18486468 -0.11466943 0.34323867 -2.13366593 -5.7388844 0 0 -3.81291165 -1.21509935 -0.01478066 1.187E-9 2.6549999999E-9 5.937E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.3189999999E-7 7.421E-7 0.000001659 0.0000037099999999 0.000008297 0.00001855 0.000041479999999 0.00009276 523-87-5 10660 144207521 M M Dimenhydrinate CN(C)CCOC(c1ccccc1)c2ccccc2.O=C2c1nc(Cl)nc1N(C)C(=O)N2C Tox21_200323 -NCGC00258694-01 196729371 tox21-ror-cho-viability-p1 set3 4 1.02947779 0.64127666 2.99830255 -1.26126254 -2.48410644 -0.0210695 1.3778134 -2.22201626 2.09217009 -2.73788512 -2.23173127 -2.55927421 2.10320207 1.19312022 3.21412061 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.934E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091699999999 483-84-1 10226 144208340 A F 8-Hydroxy-5,7-dinitro-2-naphthalenesulfonic acid [O-][N+](=O)c1cc(c2ccc(cc2c1O)S(=O)(=O)O)[N+]([O-])=O Tox21_201142 -NCGC00163903-03 196729375 tox21-ror-cho-viability-p1 set3 4 2.61522803 -0.97442563 -0.95804563 1.97458921 -6.71060967 -0.97812249 0.77900081 -5.44957901 -1.94462275 -0.17969777 -8.77275024 -8.81961399 0.06032427 -1.79350062 0.5616561 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00258625-01 196729776 tox21-ror-cho-viability-p1 set3 4 1.02206987 -0.53336839 -2.59418715 0.43974025 1.13448708 -0.26595622 0.25267201 -1.68749967 1.03812876 3.79497326 -0.01646317 1.25590513 -0.19383041 1.4328078 2.79472791 1.189E-9 2.66E-9 5.9469999999E-9 1.3299999999E-8 2.9739999999E-8 6.649E-8 1.487E-7 3.325E-7 7.4339999999E-7 0.000001662 0.0000037169999999 0.000008312 0.00001859 0.00004156 0.00009293 501-53-1 10387 144208270 D Benzyl chloroformate ClC(=O)OCc1ccccc1 Tox21_201072 -NCGC00257937-01 196729452 tox21-ror-cho-viability-p1 set3 4 -0.18107763 0.29663059 0.5975566 -2.19131233 0.25514579 0.57791672 0.58822112 2.81788649 3.78273793 4.57548411 4.78740884 0.57335114 5.85335029 1.59347681 3.15811302 1.158E-9 2.5899999999E-9 5.792E-9 1.2949999999E-8 2.896E-8 6.4759999999E-8 1.448E-7 3.238E-7 7.241E-7 0.0000016189999999 0.00000362 0.000008095 0.0000181 0.000040479999999 0.00009051 96-47-9 7301 144207581 FNS 2-Methyltetrahydrofuran CC1CCCO1 Tox21_200383 -NCGC00255538-01 196729025 tox21-ror-cho-viability-p1 set3 4 2.67874361 -2.15828195 2.54867289 2.66340889 -0.28811424 0.54760399 2.23029778 2.41340411 4.12543269 1.00748216 1.22188799 -3.07391045 1.73542348 4.2191867 3.12476092 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33089-74-6 36326 144212063 F Fns N'-(2,4-Dimethylphenyl)-N-methylformamidine Cc1ccc(\N=C\NC)c(C)c1 Tox21_301746 -NCGC00255467-01 196729027 tox21-ror-cho-viability-p1 set3 -1.1 6.8589621897 -77.254956805 3.946980359 -73.307976446 3.1924983358 0.9939483497 0 0 4.97061177 5.75223123 5.30088181 -0.88946692 -0.15920246 5.97000347 6.48647948 6.70115537 2.45177243 -5.67237972 -46.16648455 -68.2025485 -74.35923745 -73.02282958 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 31519-22-9 671 144211972 B Fc 1,4-Dihydroxy-2-naphthoic acid O=C(O)c2cc(O)c1ccccc1c2O Tox21_301655 -NCGC00257869-01 196729446 tox21-ror-cho-viability-p1 set3 4 -21.5390732 -0.93673304 -12.28565427 -11.06011827 -3.45230247 -6.17277289 -5.67761318 0 0 -0.02650739 0 -1.05865652 -6.99106122 -7.97243886 -5.69752983 1.154E-9 2.5799999999E-9 5.7679999999E-9 1.29E-8 2.884E-8 6.449E-8 1.4419999999E-7 3.224E-7 7.21E-7 0.000001612 0.000003605 0.000008061 0.00001802 0.0000403 0.00009012 404-86-4 1548943 144207513 A A Capsaicin Oc1ccc(cc1OC)CNC(=O)CCCC/C=C/C(C)C Tox21_200315 -NCGC00257809-01 196729853 tox21-ror-cho-viability-p1 set3 4 0.46835913 1.50310139 2.27595293 1.72271703 -2.43849272 0.40338324 -0.67769259 0.32710663 -0.19133381 1.840105 2.40773641 1.86025243 0.67706263 2.58131894 1.61856657 1.166E-9 2.608E-9 5.831E-9 1.304E-8 2.9159999999E-8 6.5199999999E-8 1.458E-7 3.26E-7 7.2889999999E-7 0.0000016299999999 0.000003645 0.00000815 0.00001822 0.00004075 0.00009112 64902-72-3 47491 144207453 A A Chlorsulfuron Cc2nc(NC(=O)NS(=O)(=O)c1ccccc1Cl)nc(OC)n2 Tox21_200255 -NCGC00016611-10 196704997 tox21-ror-cho-viability-p1 set1 4 -2.2133014 1.08976119 -0.02507207 1.18604145 -6.00881398 -4.59194228 -2.23845882 -0.15415893 -3.21003959 -0.28057777 -0.37023092 -0.45524875 0.71966038 -0.89341988 -1.56164163 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2438-72-4 2466 170465813 A Bufexamac ONC(=O)Cc1ccc(OCCCC)cc1 Tox21_110522_1 -NCGC00167531-02 196704585 tox21-ror-cho-viability-p1 set1 4 4.73942337 2.59615332 0.31622471 0.66583588 2.10629409 4.03017406 -0.25535673 2.06847596 0.38210159 0.00746538 2.35825533 0.04716721 -0.11266142 3.84132459 3.28007239 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 129101-54-8 77990 170464721 A Rivastigmine tartrate O=C(Oc1cc(ccc1)[C@H](C)N(C)C)N(C)CC.O=C(O)[C@@H](O)[C@H](O)C(=O)O Tox21_112528_1 -NCGC00179630-03 196704593 tox21-ror-cho-viability-p1 set1 4 0.26942541 0.16110421 -0.05107217 1.22573767 -0.26150838 20.25478738 -2.53492105 -2.91334121 0.58060638 0.642868 3.3674241 -4.8857896 -0.19021867 -0.47355636 3.94999808 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-56-9 6419941 170465642 A Homatropine hydrobromide Br.CN3[C@@H]1CC[C@H]3C[C@H](C1)OC(=O)C(O)c2ccccc2 Tox21_110318_1 -NCGC00181750-01 196704993 tox21-ror-cho-viability-p1 set1 4 -4.46705223 0.29312486 -1.6802012 -1.00502928 -4.98579791 -1.84712979 -3.65559292 -8.25453963 0.08030438 -1.61429043 -4.49242614 -2.61517432 -0.06322244 -2.79961381 0.20056808 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 113981-44-5 6918222 144206474 A B Cefozopran hydrochloride Cl.CO\N=C(/c1nc(N)sn1)C(=O)N[C@@H]5C(=O)N4C(C([O-])=O)=C(C[n+]3ccn2ncccc23)CS[C@@H]45 Tox21_112921 -NCGC00016610-07 196705000 tox21-ror-cho-viability-p1 set1 4 26.6032120037 -10.265539772 2.5 -7.765539772 4.5044702849 0.6320690896 0.0765996811 0.42858822 4.43114824 3.09107663 0.38528111 0.78081566 3.80762929 1.82431821 6.45978842 0.15717407 0.5956628 3.01380045 4.83014913 1.76914816 0.16280037 -6.88794981 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2398-96-1 5510 170465508 A Tolnaftate Cc1cc(ccc1)N(C)C(=S)Oc2ccc3ccccc3c2 Tox21_110521_1 -NCGC00249922-01 196705011 tox21-ror-cho-viability-p1 set1 4 -0.33350684 0.46666027 -0.16662981 -6.8926169 -1.61624131 -0.30346405 -0.22794415 -0.06486814 -0.93645163 -0.65387409 -1.7194598 -0.98399654 -1.46898836 0.2578524 0.27752792 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2508-47-6 17273 170465998 F A Estriol benzoate diacetate CC(=O)O[C@@H]4C5(C)CCC2C(CCc3cc(OC(=O)c1ccccc1)ccc23)C5C[C@H]4OC(C)=O Tox21_113698 -NCGC00090858-02 196705012 tox21-ror-cho-viability-p1 set1 4 1.50561114 1.78533441 0.4408812 -0.10411961 -6.12643786 -11.62747927 0.43440215 6.9333929 -1.59990302 -1.56492539 0.05197958 -6.55193752 0.26779188 -2.83790322 5.35915391 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00256602-01 196707947 tox21-ror-cho-viability-p1 set1 4 -0.06482557 0.66249759 0.99450543 -1.47127061 -0.20224524 0.23964919 6.09024935 0.89096054 -0.20307132 -1.34413028 1.09877434 6.14246469 8.50875441 6.68597449 5.77433234 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 536-60-7 325 144213114 A A 4-Isopropylbenzyl alcohol OCc1ccc(cc1)C(C)C Tox21_302797 -NCGC00256780-01 196707116 tox21-ror-cho-viability-p1 set1 4 2.31791568 -0.28669193 4.57866636 2.2519883 1.51380778 2.48689521 4.83655066 3.15731043 3.85688011 4.19821672 10.8984122 7.90112169 2.53001974 0.43642933 7.68044615 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19322-27-1 4564493 144212858 Z Bc 4-Hydroxy-5-methyl-3-furanone CC=1OCC(=O)C=1O Tox21_302541 -NCGC00256948-01 196707519 tox21-ror-cho-viability-p1 set1 4 27.3060203028 10.4160185879 -1.9160185879 8.5 4.9549173134 0.8073728917 0.0069053566 -0.24119164 -0.15496931 -3.13733327 -0.05871902 -1.55220017 -2.24500296 -1.88126415 -3.83896825 -4.93001549 -0.47637169 -3.35332019 0.2929134 -2.43064406 8.90449245 7.32743593 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-64-2 8404 144213642 Z Fc Tetralin c1ccc2CCCCc2c1 Tox21_303325 -NCGC00256901-01 196707933 tox21-ror-cho-viability-p1 set1 4 0.0544826733 3.3447957319 -0.3447957319 3 2.4063783767 0.3193277429 0.3550371622 2.76308778 0.32268437 -4.87066311 0.64056619 0.71345734 1.37053376 1.86594189 7.07059454 4.41284934 2.51491032 1.62670823 1.02344752 3.66850514 3.21270231 0.52733539 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-37-5 6533 144212952 A F Linalyl cinnamate C/C(C)=C\CCC(C)(C=C)OC(=O)C=Cc1ccccc1 Tox21_302635 -NCGC00256969-01 196708167 tox21-ror-cho-viability-p1 set1 4 0.2166788721 -13.141309348 3 -10.141309348 0.3 0.369436221 0.3019377079 -2.48998795 2.5598651 3.4947164 -1.68173423 -6.07276524 3.30535722 -7.96304089 -1.06219493 -10.06093297 -8.80892603 -0.62323853 -1.29204751 -10.11775779 -8.73969419 -9.21563518 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.00004119 0.000092099999999 957-51-7 13728 144213394 A A Diphenamid O=C(C(c1ccccc1)c2ccccc2)N(C)C Tox21_303077 -NCGC00016000-13 196707332 tox21-ror-cho-viability-p1 set1 -2.1 39.4746922522 -88.277734101 -3.605475747 -91.883209848 0.7 0.8398927056 0.0030194368 2.44961952 4.48541593 1.91882541 -3.02244251 -4.00098495 -10.00151604 -13.14954823 -9.9693923 -17.06537651 -18.87780978 -11.89001371 -21.24113848 -43.32550353 -31.80784038 -76.56934154 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00256869-01 196707341 tox21-ror-cho-viability-p1 set1 4 7.83840737 -1.02425104 0.35665096 1.64239048 2.22000476 0.42700738 3.68475707 6.49229922 5.21270484 -0.00015235 2.97184949 2.83525217 3.50243614 0.3983618 7.01966841 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-46-2 7193 144212778 A F Isopentyl benzoate CC(C)CCOC(=O)c1ccccc1 Tox21_302461 -NCGC00257427-01 196707768 tox21-ror-cho-viability-p1 set1 4 10.8707224818 -18.849319668 2 -16.849319668 1.8851180601 0.8765582304 0.0009069458 -3.44035708 0.07175218 4.30892218 5.99893621 0.38934624 1.84305595 4.76392242 -0.27522783 0.21603262 5.16263182 2.0849606 -4.8811923 -12.49662162 -16.95776639 -15.38604003 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 174185-16-1 10068207 144213666 A A FR167356 Clc1cccc(Cl)c1C(=O)Nc3cccc2c3oc(C)c2C(C)(C)O Tox21_303349 -NCGC00256667-01 196708176 tox21-ror-cho-viability-p1 set1 4 0.34063504 -13.22834058 -12.90895577 -0.38302139 -14.88670946 -2.06842822 -2.1974879 -0.59439214 -9.71657513 -6.65059483 -18.60255879 3.79630111 -6.76645042 -3.02037701 -5.51389412 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-83-2 7460 144212867 Fns alpha-Phellandrene CC=1C=CC(CC=1)C(C)C Tox21_302550 -NCGC00256707-01 196708182 tox21-ror-cho-viability-p1 set1 4 0.0054482673 -7.873269 -3.96990332 -11.84317232 1.4163171 0.3358707182 0.3505828882 -4.38289619 -6.60009845 -7.98123416 -10.18953736 -9.76760619 -13.88117513 -15.68343227 -11.7228865 -7.91967682 -11.08929991 -15.7026436 -15.24723863 -12.97168957 -2.8915861 -8.55021939 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14952-06-8 5368076 144212899 A F Methyl (2E)-non-2-enoate O=C(\C=C\CCCCCC)OC Tox21_302582 -NCGC00259996-01 196708581 tox21-ror-cho-viability-p1 set2 4 -0.44580344 1.47866669 -1.23436233 -2.8732099 -2.41455067 -2.58758413 -1.57223537 -2.34721809 -1.77144493 1.01215198 -0.56929378 -2.17134079 -2.25821507 -1.83203041 1.97921547 1.166E-9 2.6069999999E-9 5.83E-9 1.304E-8 2.9149999999E-8 6.518E-8 1.457E-7 3.259E-7 7.287E-7 0.0000016299999999 0.0000036439999999 0.0000081479999999 0.00001822 0.00004074 0.00009109 100-51-6 244 144209645 A A Benzyl alcohol OCc1ccccc1 Tox21_202447 -NCGC00259909-01 196705694 tox21-ror-cho-viability-p1 set1 4 25.0559896511 -10.598583064 2.5 -8.098583064 4.9549173134 0.3849893455 0.2866506842 3.6779507 3.95956815 2.22448659 4.23916704 5.4649602 0.12903459 2.07152811 1.4209339 -9.24881922 12.55113542 0.51905573 0.32333419 0.42665713 -7.82744882 -7.47791374 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.00001889 0.00004225 0.00009447 28249-77-6 34192 144209558 A A Thiobencarb Clc1ccc(CSC(=O)N(CC)CC)cc1 Tox21_202360 -NCGC00160558-02 196705286 tox21-ror-cho-viability-p1 set1 4 1.00075673 0.21586369 1.67990501 0.52651138 0.39980764 -0.41571997 0.69249597 0.86711802 0.33482932 -0.00833516 -4.07481495 1.746093 0.4231285 0.01521344 2.70896862 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 36141-82-9 37384 170466181 A Diamfenetide CC(=O)Nc1ccc(cc1)OCCOCCOc2ccc(cc2)NC(C)=O Tox21_111898_1 -NCGC00024665-10 196705299 tox21-ror-cho-viability-p1 set1 4 23.7101376556 -13.729381424 0.5 -13.229381424 3.9899729863 0.7158725518 0.031760961 -0.11309952 -3.18215421 4.32414192 -0.07478059 0.07066647 2.14439258 -3.37871567 -0.91795072 0.35095856 4.27143466 1.27163206 -0.35424062 0.29719674 -4.31278632 -12.27448452 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 20229-30-5 4106 170466339 A Metitepine CN1CCN(CC1)C2Cc4ccccc4Sc3ccc(SC)cc23 Tox21_110916_1 -NCGC00259555-01 196705693 tox21-ror-cho-viability-p1 set1 4 3.44357172 14.02304403 0.13179026 -12.60835976 8.20204239 6.30226969 1.86779274 0.08705944 -12.53835879 3.53333738 3.74721252 1.37117859 5.20630678 1.91360312 -1.56857424 1.1699999999E-9 2.615E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.538E-8 1.462E-7 3.269E-7 7.31E-7 0.000001635 0.0000036549999999 0.000008173 0.00001827 0.00004086 0.00009137 21087-64-9 30479 144209204 A A Metribuzin O=C1C(=NN=C(SC)N1N)C(C)(C)C Tox21_202006 -NCGC00091632-02 196705698 tox21-ror-cho-viability-p1 set1 4 -13.0534328 -5.3741931 -13.2304361 -9.57394605 -1.89332062 -6.22069096 -4.38522668 -1.49739528 -9.28221695 -1.94722572 -1.12195433 -0.66584241 -7.23564428 -6.93218868 -7.0732769 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00095165-07 196717592 tox21-ror-cho-viability-p1 set2 2.1 21.1316824289 93.9865019392 -5.5355382169 88.4509637223 3.0654483358 0.9165169817 0.000128597 0.51253463 0.71188945 1.04126034 0.37200012 2.50522902 -1.56835855 0.74466838 -5.68262648 -11.10995394 -21.22945904 -18.07953952 -10.30387801 0.98061085 38.48046989 81.02599035 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61422-45-5 2577 170465833 A Carmofur O=C1NC(=O)C(F)=CN1C(=O)NCCCCCC Tox21_111464_1 -NCGC00167507-04 196717163 tox21-ror-cho-viability-p1 set2 -3 33.4914596268 -88.2576053696 -1.4500769919 -89.7076823615 4.9549173134 0.9757258165 1.449E-7 0.14045955 -4.26555989 -1.64156172 -7.05059329 -0.46578542 -1.28487743 -3.24562831 -1.48365979 0.80982048 -3.04280178 -0.90881967 -0.77014299 -1.95916762 -0.74562331 -78.69094944 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 231277-92-2 208908 170465125 A Lapatinib Fc1cccc(c1)COc2ccc(cc2Cl)Nc3ncnc4ccc(cc34)c5ccc(CNCCS(C)(=O)=O)o5 Tox21_112505_1 -NCGC00253768-01 196717177 tox21-ror-cho-viability-p1 set2 4 3.30546399 2.93948819 1.35963622 -1.50101337 2.41690523 -1.69996372 1.29017903 -0.59979383 0.87414932 2.96443386 2.97161955 1.56523296 2.12551651 2.48163211 1.21796132 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7036-58-0 65591 170466484 A Ac Propoxate CC(c1ccccc1)n2cncc2C(=O)OCCC Tox21_113881 -NCGC00166290-03 196717586 tox21-ror-cho-viability-p1 set2 -2.4 33.4914596268 -29.4726362399 -2.5 -31.9726362399 2.7202212143 0.793071973 0.0092018724 -2.70139431 0.97233567 -6.49936358 -2.26111111 -3.64881893 -8.94572512 -4.80078321 -2.28130342 1.8062375 0.11539062 0.43405803 -2.43844258 -3.32785125 -9.08803583 -23.3105302 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3055-99-0 656641 170466791 F Polyoxyethylene (9) lauryl ether CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO Tox21_112394_1 -NCGC00253764-01 196717593 tox21-ror-cho-viability-p1 set2 2.1 11.8832183006 69.5352225695 -1.4916113239 68.0436112456 2.0437424601 0.9763403155 1.251E-7 0.35162767 0.36190544 -8.32634277 -0.58216353 -4.8660211 0.47143033 -5.74136845 -0.98133286 4.36283451 2.74317072 1.21726674 3.29441445 25.10993355 49.61987219 66.72257852 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 65571-68-8 71967 170466211 A A Lofemizole Clc1ccc(cc1)c2ncnc2C Tox21_113877 -NCGC00164482-02 196717596 tox21-ror-cho-viability-p1 set2 4 0.084126743 4.5945694759 -4.0945694759 0.5 4.9549173134 0.6099702946 0.0916158824 -5.13300981 -3.22938156 -3.73724894 0.10158501 -4.18983232 -8.41214123 -2.6418136 2.28364263 0.08356299 -1.57448529 1.23758938 1.76673147 -0.45940112 1.13184307 0.76575983 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94746-78-8 779179 170466559 A Molracetam O=C(CN1CCN(CC1)C(=O)c2ccc(OC)cc2)N3CCOCC3 Tox21_112124_1 -NCGC00258001-01 196716359 tox21-ror-cho-viability-p1 set2 4 0.01849482 -0.07932755 -2.13185909 2.30225977 2.84251634 1.45881967 0.70567776 1.10243488 1.84005629 1.85071448 0.86086079 5.79971881 2.49667298 2.52405348 -1.12007856 1.2009999999E-9 2.686E-9 6.007E-9 1.3429999999E-8 3.0039999999E-8 6.716E-8 1.5019999999E-7 3.358E-7 7.509E-7 0.000001679 0.000003754 0.0000083949999999 0.000018769999999 0.000041979999999 0.00009386 547-64-8 11040 144207645 A A Methyl 2-hydroxypropanoate CC(O)C(=O)OC Tox21_200447 -NCGC00257814-01 196715522 tox21-ror-cho-viability-p1 set2 4 -1.46041732 -0.79954564 -1.14546564 0.22131793 -0.57707697 -0.14790781 -0.25184575 -0.15469155 -0.67670355 -2.733652 -0.34867671 1.35118691 -2.55658713 -1.03454742 0.30784137 1.1779999999E-9 2.633E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.00000368 0.00000823 0.000018399999999 0.00004115 0.00009201 581-42-0 11387 144207458 A A 2,6-Dimethylnaphthalene Cc1ccc2cc(C)ccc2c1 Tox21_200260 -NCGC00258036-01 196715530 tox21-ror-cho-viability-p1 set2 -3 68.5198756601 -51.7892998316 2.206800033 -49.5824997986 4.9549173134 0.9680816292 6.912E-7 3.71452635 2.58018118 -0.35715488 3.42091726 2.30821533 2.74243839 0.87901863 0.98002849 1.10518771 -0.3473572 0.67580162 5.71915823 3.12507085 2.44970339 -40.14484111 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 3542-36-7 77080 144207680 A Dichloro(dioctyl)stannane Cl[Sn](Cl)(CCCCCCCC)CCCCCCCC Tox21_200482 -NCGC00258571-01 196716357 tox21-ror-cho-viability-p1 set2 4 -1.43559535 0.80228376 2.04746711 -1.95401404 2.0154294 0.86155691 -6.67621251 0.7910956 -7.00119997 -1.82571889 -0.39591402 1.05371586 0.60838392 -1.02360221 0.83207319 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004133 0.000092409999999 62-31-7 65340 144208216 A A Dopamine hydrochloride Cl.Oc1ccc(CCN)cc1O Tox21_201018 -NCGC00090773-04 196716372 tox21-ror-cho-viability-p1 set2 4 2.13866547 2.73171606 -1.76202959 0.36696027 3.89691678 1.04779614 0.00879278 -8.73112649 0.00101205 4.72419541 3.9554851 0.92758212 0.24436398 2.47892717 1.89246309 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00164603-04 196716777 tox21-ror-cho-viability-p1 set2 -2.1 21.1316824289 -93.2809696706 -2.075248865 -95.3562185356 2.3331733767 0.977942256 8.35E-8 -5.18316319 -1.29891068 -9.77423713 -5.93453747 -2.46740702 -0.65727675 -1.12249682 -0.5264212 0.17959582 -1.81402558 -0.7999666 -3.46128062 -7.79335479 -52.60100981 -80.57289283 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 90729-43-4 3191 170465995 A Ebastine CC(C)(C)c1ccc(cc1)C(=O)CCCN2CCC(CC2)OC(c3ccccc3)c4ccccc4 Tox21_112225_1 -NCGC00258312-01 196730197 tox21-ror-cho-viability-p1 set3 1.2 13.3798200134 62.8214607893 0.9507757879 63.7722365772 2.7202212143 0.9768626399 3.856E-7 -0.56786202 2.24638551 3.28956898 -0.329926 1.07021096 1.06127563 3.68387915 2.09965172 1.32263782 -0.32594451 0.76888171 6.8529904 50.09184524 58.11003586 20.19160057 1.158E-9 2.5899999999E-9 5.792E-9 1.2949999999E-8 2.896E-8 6.475E-8 1.448E-7 3.238E-7 7.24E-7 0.0000016189999999 0.00000362 0.0000080939999999 0.0000181 0.00004047 0.000090499999999 72559-06-9 6323490 144207956 A A Rifabutin CC(C)CN1CCC3(CC1)NC4=C2NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)C=CO[C@@]6(C)Oc5c(C)c(O)c(C2=O)c(C4=N3)c5C6=O Tox21_200758 -NCGC00258019-01 196730206 tox21-ror-cho-viability-p1 set3 4 -5.02675575 -4.73296704 -5.35566178 -4.68729399 0.19924287 0.3378417 -0.01526737 -3.60066595 -5.6560711 -1.15165899 0.1436573 -0.20926451 2.92418538 0.39520382 1.2010455 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.679E-8 1.494E-7 3.34E-7 7.468E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004175 0.000093349999999 25973-55-1 33263 144207663 FNS 2-(2H-Benzotriazol-2-yl)-4,6-bis(1,1-dimethylpropyl)phenol CC(C)(CC)c1cc(c(O)c(c1)C(C)(C)CC)n2nc3ccccc3n2 Tox21_200465 -NCGC00258787-01 196706251 tox21-ror-cho-viability-p1 set1 4 1.97316118 0.30129427 -0.72328149 -2.02145275 1.85867834 -4.90965067 -0.09090118 1.39893028 4.02692772 16.43813015 -0.21140807 -0.02692632 0.12582223 1.4432173 4.68699761 1.172E-9 2.6199999999E-9 5.858E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.275E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008187 0.00001831 0.000040929999999 0.00009153 1119-40-0 14242 144208433 A A Dimethyl glutarate O=C(CCCC(=O)OC)OC Tox21_201235 -NCGC00259745-01 196706258 tox21-ror-cho-viability-p1 set1 4 -10.24365565 -8.06033758 -13.49206909 -10.75810489 -3.71073412 -6.32128435 -7.57026611 -6.50216628 -6.04811952 -9.74195162 6.86880799 -12.50947427 -2.13928178 -7.04016466 -19.58795979 1.191E-9 2.664E-9 5.9569999999E-9 1.332E-8 2.979E-8 6.66E-8 1.489E-7 3.33E-7 7.446E-7 0.000001665 0.0000037229999999 0.0000083249999999 0.00001862 0.00004163 0.00009308 612-82-8 108938 144209394 A A 3,3'-Dimethylbenzidine dihydrochloride Cl.Cl.Cc1cc(ccc1N)c2ccc(N)c(C)c2 Tox21_202196 -NCGC00259570-01 196706658 tox21-ror-cho-viability-p1 set1 -2.4 77.8205173746 -33.6522924079 1.5 -32.1522924079 4.9549173134 0.7234484644 0.0284479769 2.08755678 3.48272493 -1.34764887 7.6862885 4.04266739 -1.29854846 -0.39319788 -10.01167965 3.26052149 5.67784326 1.08951827 1.30356506 0.6807056 3.97687134 -25.12691034 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.977E-8 6.656E-8 1.4879999999E-7 3.3279999999E-7 7.441E-7 0.0000016639999999 0.000003721 0.00000832 0.0000186 0.0000416 0.000093019999999 396-01-0 5546 144209219 A A Triamterene Nc2nc(N)nc1nc(N)c(nc12)c3ccccc3 Tox21_202021 -NCGC00255440-01 196710012 tox21-ror-cho-viability-p1 set2 4 -5.01577866 0.10145213 -3.53580925 -0.3981706 -3.53041172 -1.49241705 -1.79654509 0.34744568 0.78627448 -3.21283501 -1.99255727 -0.13197905 -0.51498489 -1.306873 1.53397106 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-63-4 7060 144212343 A Fns Quinaldine Cc1ccc2ccccc2n1 Tox21_302026 -NCGC00255221-01 196710007 tox21-ror-cho-viability-p1 set2 4 -5.1890864 0.58783858 0.36949619 0.7514664 1.53761154 -0.32672537 1.03143972 0.49412257 2.49158768 2.61556048 0.38470101 0.87292852 0.72721844 -0.24526126 3.82630311 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97240-79-4 5284627 144212718 A A Topiramate NS(=O)(=O)OC[C@]23OC[C@H]1OC(C)(C)O[C@H]1[C@@H]3OC(C)(C)O2 Tox21_302401 -NCGC00255518-01 196710008 tox21-ror-cho-viability-p1 set2 4 0.0015355304 13.077884188 -12.577884188 0.5 4.9549173134 0.7947841998 0.0091123859 -10.06490349 1.01805119 0.00086663 0.25244705 2.43420813 1.17533126 -2.01940439 -0.20533828 1.3207101 0.52276654 -0.07511491 -2.33398373 1.5860688 2.16443062 0.15872302 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1746-81-2 15629 144211677 A A Monolinuron Clc1ccc(NC(=O)N(C)OC)cc1 Tox21_301360 -NCGC00256019-01 196710011 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -15.5982674 -0.5 -16.0982674 4.9549173134 0.6552881935 0.061722479 -5.94336155 -1.64475103 -0.76694861 -3.81619003 0.69021896 -0.25999239 -0.1168116 0.22391473 0.92132598 4.00139647 0.37034896 0.08265273 -0.93821532 0.30643062 -12.5818895 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50940-49-3 175956 144211986 Ac Fc 4-[2-(Acryloyloxy)ethoxy]-4-oxobutanoic acid O=C(CCC(=O)O)OCCOC(=O)C=C Tox21_301669 -NCGC00091532-04 196710028 tox21-ror-cho-viability-p1 set2 -2.4 61.8773215692 -26.424675528 -4 -30.424675528 3.0654483358 0.8527883717 0.002080093 -1.45243151 -6.72559303 -4.16831868 -2.89312752 -6.80268332 -4.92620662 -5.09448759 -3.31781152 -6.17842288 -4.45137196 -4.5961643 1.02941281 -0.8194365 -10.2450494 -24.52056294 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00255304-01 196710030 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -8.8886238039 0.5 -8.3886238039 4.9549173134 0.454751889 0.2243593118 2.81836024 4.58999011 0.41483444 0.72095108 -0.44334034 -0.05563895 -2.4167843 -0.38125488 -3.76930486 -0.40331204 1.51843651 0.73485128 0.39460309 0.12063774 -6.57385317 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14816-18-3 9570290 144211897 A B Phoxim CCOP(=S)(O\N=C(/C#N)c1ccccc1)OCC Tox21_301580 -NCGC00255386-01 196710427 tox21-ror-cho-viability-p1 set2 4 -0.15913935 -1.94795014 -2.42289305 -0.52367635 -0.69150305 -1.08667585 -1.12774949 -2.96141926 -1.40609444 -1.34538236 -0.72310533 -0.18148106 1.16417383 -1.69431493 0.05742581 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81-14-1 6669 144211944 A A Musk ketone O=[N+]([O-])c1c(C)c(c(C)c(c1C(C)(C)C)[N+]([O-])=O)C(C)=O Tox21_301627 -NCGC00255711-01 196710428 tox21-ror-cho-viability-p1 set2 4 -0.53175784 1.56957996 3.02742286 2.18963384 2.11082999 1.90690162 10.74455957 0.11755007 2.91634714 10.58761527 2.28212498 3.47924579 3.19125864 2.36094895 11.46881563 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2597-03-7 17435 144211881 Bc Fc Phenthoate O=C(OCC)C(SP(=S)(OC)OC)c1ccccc1 Tox21_301564 -NCGC00255906-01 196710439 tox21-ror-cho-viability-p1 set2 -1.1 0.3857077887 -84.4623853978 0.2620766669 -84.2003087309 2.7202212143 0.9944979733 0.0005106126 2.32841643 0.65507364 1.56925209 -1.02060487 0.95341293 -0.5939059 -9.04354848 -28.09799747 -79.74292306 -81.66707529 -36.34707126 -82.95564182 -84.04459912 -85.0508169 -81.33325285 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 379-52-2 9786 144212558 A Triphenyltin fluoride F[Sn](c1ccccc1)(c2ccccc2)c3ccccc3 Tox21_302241 -NCGC00259874-01 196706948 tox21-ror-cho-viability-p1 set1 -1.1 15.6994833765 -118.2869531641 0 -118.2869531641 0.9999999999 0.9608642009 0.0000021671 2.46548526 -0.65486603 -1.30985836 0.08890438 -0.92486746 3.21180337 2.56238922 2.84532336 -24.43823664 -11.48474316 -17.96524889 -41.77536659 -56.37443144 -97.59649601 -96.29367269 1.202E-9 2.688E-9 6.0109999999E-9 1.344E-8 3.006E-8 6.721E-8 1.503E-7 3.36E-7 7.5139999999E-7 0.0000016799999999 0.0000037569999999 0.000008401 0.000018789999999 0.00004201 0.00009393 6317-18-6 22772 144209523 A A Methylene bis(thiocyanate) N#CSCSC#N Tox21_202325 -NCGC00259434-01 196706541 tox21-ror-cho-viability-p1 set1 4 4.2793461111 19.385627124 -17.385627124 2 0.5 0.6207047502 0.0825853251 -17.96305904 -13.82658305 -17.18876563 -19.90468927 -16.13125762 -13.68358272 -11.61166557 -15.35314578 -10.99561926 -16.89597539 -0.28222135 -7.5588545 -1.09721822 -11.64526074 2.99244514 1.1689999999E-9 2.6129999999E-9 5.843E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.461E-7 3.2659999999E-7 7.3029999999E-7 0.0000016329999999 0.000003652 0.0000081649999999 0.00001826 0.000040829999999 0.00009129 143-22-6 8923 144209083 A A 2-[2-(2-Butoxyethoxy)ethoxy]ethanol OCCOCCOCCOCCCC Tox21_201885 -NCGC00258847-01 196706547 tox21-ror-cho-viability-p1 set1 4 -15.02246903 -5.4028857 -10.58707135 -11.98885956 1.53686553 -7.1074655 -7.1269865 -4.86896838 0.22373808 -12.13384549 5.9756093 -11.37126192 -1.62891499 -2.43761826 -10.14402294 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 13684-63-4 24744 144208493 D Phenmedipham O=C(Oc1cccc(c1)NC(=O)OC)Nc2cc(C)ccc2 Tox21_201295 -NCGC00258786-01 196706938 tox21-ror-cho-viability-p1 set1 4 4.3057165862 -12.628261968 0.5 -12.128261968 4.9549173134 0.6656239068 0.0660751561 1.2035948 0.35911674 -0.61642481 3.10181996 -3.737044 -0.20511728 -4.87867894 -0.34695551 0.90844029 11.85426715 -3.9111494 -13.02355164 -12.05835309 -11.18753181 -4.62914375 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.000018359999999 0.000041049999999 0.000091779999999 17804-35-2 28780 144208432 A A Benomyl O=C(OC)Nc2nc1ccccc1n2C(=O)NCCCC Tox21_201234 -NCGC00259425-01 196706953 tox21-ror-cho-viability-p1 set1 4 -2.88276394 0.6853934 -2.56667766 2.98137004 -2.79899634 0.66775994 -0.44363738 -4.74252551 2.0095917 0 0.86365936 -0.7906784 1.12489537 0.30648878 2.34491184 1.2089999999E-9 2.703E-9 6.045E-9 1.352E-8 3.022E-8 6.758E-8 1.511E-7 3.379E-7 7.556E-7 0.00000169 0.0000037779999999 0.000008448 0.00001889 0.00004224 0.000094449999999 90-16-4 7006 144209074 A A 1,2,3-Benzotriazin-4(1H)-one O=C2N=NNc1ccccc12 Tox21_201876 -NCGC00258874-01 196706954 tox21-ror-cho-viability-p1 set1 4 1.9429517713 14.822551844 -12.822551844 2 0.8999999999 0.7751975476 0.0128800745 -9.51102859 -11.98318713 -13.59974684 -14.02989844 -9.35582757 -15.2935419 -15.68545987 -8.25133791 -10.0866019 -3.07851824 0.50715016 -7.89266576 -0.78568009 3.12596916 2.95242115 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.312E-7 7.405E-7 0.000001656 0.000003702 0.000008279 0.00001851 0.0000414 0.00009256 60-12-8 6054 144208520 A 2-Phenylethanol OCCc1ccccc1 Tox21_201322 -NCGC00259161-01 196706956 tox21-ror-cho-viability-p1 set1 4 6.8241009061 6.9369364359 -6.9369364359 0 4.9549173134 0.3784324081 0.2934569302 -7.45888912 -0.50458867 -11.69161596 -8.78127066 -2.96889168 -6.00312053 -9.24174151 -4.11498106 -0.45965989 -12.44744703 -10.95105815 -0.64018875 0.15254563 1.91954155 -2.42293209 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.468E-7 3.2829999999E-7 7.3419999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.00001835 0.00004104 0.00009177 64-77-7 5505 144208810 A A Tolbutamide Cc1ccc(cc1)S(=O)(=O)NC(=O)NCCCC Tox21_201612 -NCGC00091146-04 196707359 tox21-ror-cho-viability-p1 set1 4 -4.66259993 -10.693862 -0.58488322 -14.11512025 -11.0431317 -1.19208953 -0.21062948 -5.50050593 -5.7465283 -0.72246981 -0.71137516 -6.12210104 -1.10889321 -10.76218695 -6.87633254 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00066947-05 196707360 tox21-ror-cho-viability-p1 set1 4 3.21071139 -0.37819778 0.75027327 0.25438429 -3.89076498 -0.21287256 -0.80864349 -0.01375858 -8.27522304 3.31817722 0.01323798 4.47434634 2.66355488 -5.11859797 2.45056998 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00256408-01 196707376 tox21-ror-cho-viability-p1 set1 4 -22.0905431 -13.58104402 -10.72210245 -13.89730579 -9.87389604 -16.6935937 -8.25743445 -22.65249339 -17.31911725 -19.07331328 -23.02876817 -11.97390752 -18.67824414 -9.87323814 -9.50908281 1.109E-9 2.4799999999E-9 5.5449999999E-9 1.2399999999E-8 2.772E-8 6.199E-8 1.3859999999E-7 3.1E-7 6.931E-7 0.00000155 0.000003466 0.000007749 0.00001733 0.00003875 0.00008664 83-88-5 493570 144213297 A C Riboflavin OC[C@@H](O)[C@@H](O)[C@@H](O)CN2C3=NC(=O)NC(=O)C3=Nc1cc(C)c(C)cc12 Tox21_302980 -NCGC00257325-01 196707773 tox21-ror-cho-viability-p1 set1 4 -5.83960813 -1.044706 -11.30824707 -13.83706353 -15.18723572 -17.85041608 -11.74147524 -9.61373705 -11.34102819 -19.19833331 -19.5821998 -3.68019598 -12.2511688 -4.94708468 -2.34542645 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3452-97-9 18938 144213905 A A 3,5,5-Trimethyl-1-hexanol CC(C)(C)CC(C)CCO Tox21_303600 -NCGC00257175-01 196707789 tox21-ror-cho-viability-p1 set1 4 4.8557733675 5.889814824 -2.889814824 3 0.7999999999 0.4460049434 0.2316005286 0.27684623 -1.62260479 -5.35569512 -0.12788568 -5.1022846 -7.40817902 -0.01112025 -1.59900049 -1.55505984 -0.1669567 -1.60263642 0.81211641 1.11341932 3.85667025 1.42883092 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 629-50-5 12388 144213360 F Fns Tridecane CCCCCCCCCCCCC Tox21_303043 -NCGC00259996-01 196705736 tox21-ror-cho-viability-p1 set1 4 1.127647 1.8748626 1.90613949 2.43635977 -1.62090543 -1.00512696 0.59202465 1.1235579 -15.16891974 -0.1115441 1.97527981 0.35003698 -1.21530423 0.20178252 -0.3799189 1.166E-9 2.6069999999E-9 5.83E-9 1.304E-8 2.9149999999E-8 6.518E-8 1.457E-7 3.259E-7 7.287E-7 0.0000016299999999 0.0000036439999999 0.0000081479999999 0.00001822 0.00004074 0.00009109 100-51-6 244 144209645 A A Benzyl alcohol OCc1ccccc1 Tox21_202447 -NCGC00163771-03 196719299 tox21-ror-cho-viability-p1 set2 4 3.4376242854 6.646213232 -2.146213232 4.5 3.6772481694 0.5930512823 0.1028109319 0.22742151 -0.47414192 0.49706744 -0.77006173 -0.69315393 -4.05017511 -4.7913365 -3.98132154 -8.87184436 0.33174851 1.00809007 6.47504232 4.11202729 5.91108912 2.20554575 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00257008-01 196718450 tox21-ror-cho-viability-p1 set2 -2.4 72.3028958747 -33.7982286559 -2.371319628 -36.1695482839 4.9549173134 0.938487145 0.0000259887 -2.28830185 -2.54613988 -0.72609969 -3.28945523 -7.19546748 -2.47699483 -2.93523139 -3.79291065 -1.15420111 -1.58466968 -1.46340696 -2.48728879 -3.94128436 -1.67652906 -29.72462357 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 84-61-7 6777 144213449 A A Dicyclohexyl phthalate O=C(OC1CCCCC1)c3ccccc3C(=O)OC2CCCCC2 Tox21_303132 -NCGC00257209-01 196718848 tox21-ror-cho-viability-p1 set2 4 -0.02387202 -1.34155756 0.61026088 0.43345758 1.08497665 1.88521062 -0.6378245 0 1.63548227 2.08298881 5.30635768 5.61985687 1.89246032 0.28620674 5.00698131 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2044-64-6 16278 144213582 A A N,N-Dimethylacetoacetamide CC(=O)CC(=O)N(C)C Tox21_303265 -NCGC00256964-01 196719293 tox21-ror-cho-viability-p1 set2 4 10.8707224818 5.205742488 -3.205742488 2 2.2526478767 0.4262686187 0.2506339126 -0.6473367 -8.08811874 -1.01231673 -2.20323257 -0.93734656 -5.94989976 -4.84682492 -3.4121537 0.18258313 -4.59319313 -3.33599544 -1.14455897 0.81153575 0.94521864 2.16556414 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2814-20-2 17777 144213614 A A 2-Isopropyl-6-methyl-4-pyrimidone O=C1C=C(C)NC(=N1)C(C)C Tox21_303297 -NCGC00256516-01 196719302 tox21-ror-cho-viability-p1 set2 4 4.14491559 1.59892564 3.35797561 5.58862214 3.69392827 1.94455326 -1.36814358 7.57167222 -1.01608027 2.75197366 7.56171835 -0.8774894 -0.56408986 -0.39670869 -0.27358855 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 509-14-8 10509 144213151 F Tetranitromethane O=[N+]([O-])C([N+]([O-])=O)([N+](=O)[O-])[N+]([O-])=O Tox21_302834 -NCGC00256871-01 196719310 tox21-ror-cho-viability-p1 set2 4 61.130564862 -16.399125488 1.5 -14.899125488 1.1340999999 0.5111538078 0.1695012151 -1.0537597 -1.10492495 -0.39949189 1.64238312 3.18484742 1.26565396 0.23463997 7.15887055 3.40362305 -2.42571218 5.46168201 -4.8860771 -2.02894561 -2.05438066 -10.74927124 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-16-2 8835 144212805 Ac F Citronellyl butyrate C\C(C)=C\CCC(C)CCOC(=O)CCC Tox21_302488 -NCGC00090698-04 196719312 tox21-ror-cho-viability-p1 set2 4 4.59930618 4.12489896 2.60854827 1.40865727 2.57432978 4.48591038 3.022944 1.34634963 3.90509463 4.48031338 0.49546767 -2.19034987 -1.26820402 4.06200879 3.05512097 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00254178-01 196719716 tox21-ror-cho-viability-p1 set3 -2.4 27.3060203028 -42.507073687 5.8203704175 -36.6867032695 1.9673362061 0.7072001876 0.0432416119 3.08683231 5.88804633 1.80319942 10.50987209 0.23705024 11.93867657 9.90972385 17.76879764 3.03026943 1.90891004 1.07103336 -3.53675159 0.32088586 -28.63861071 23.05395978 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1948-33-0 16043 144210401 Ac Ac tert-Butylhydroquinone CC(C)(C)c1cc(O)ccc1O Tox21_300081 -NCGC00090686-07 196719729 tox21-ror-cho-viability-p1 set3 1.4 0.0034376243 19.248737892 -19.748737892 -0.5 0.5 0.7965733264 0.0086306382 -11.28871979 -14.79061491 -6.53655571 -3.51313934 -7.84665229 -6.02749159 -1.91974331 -2.10212935 -0.58069478 -2.59791314 -0.1575237 0.84272303 0.78427117 -2.24492255 -1.36205378 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00257275-01 196719339 tox21-ror-cho-viability-p1 set2 4 -0.47915298 2.79428482 -4.87004664 -1.01819029 -5.06711742 -1.42133172 2.2685442 -1.54092643 -1.62515215 -3.07708049 2.20222449 0.29062089 -0.39332635 -2.09214164 -4.02968937 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 128-37-0 31404 144213719 A A Butylated hydroxytoluene CC(C)(C)c1cc(C)cc(c1O)C(C)(C)C Tox21_303408 -NCGC00256350-01 196719322 tox21-ror-cho-viability-p1 set2 4 -3.19139098 -2.8745087 1.23837507 0.66539696 -4.12297427 -5.27450252 -4.99635648 -0.85286241 -5.29772351 -1.56822069 -0.44943007 -2.61581902 -1.51783781 0.63583763 1.51209924 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 20917-49-1 30360 144213279 A Ac Nitrosoheptamethyleneimine O=NN1CCCCCCC1 Tox21_302962 -NCGC00256711-01 196719323 tox21-ror-cho-viability-p1 set2 4 0.27144602 -1.54951302 -0.86756476 -9.94613633 -6.17049737 -1.91918189 -2.60267675 1.09213609 -2.88392282 -2.44926139 1.10371422 -1.88088266 -1.76625574 -3.78398845 1.630734 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4536-23-6 20653 144212957 A A 2-Methylhexanoic acid CC(CCCC)C(=O)O Tox21_302640 -NCGC00015121-17 196725306 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -109.732909711 5.7049106675 -104.0279990435 4.9549173134 0.9644988851 0.0000012557 4.07060766 4.02439508 -2.72346997 -1.61753929 11.56127479 9.70365163 8.41175778 10.50579443 5.31638735 4.37883805 12.47301776 1.20655012 7.24582569 -1.64148098 -91.25263074 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-96-1 4768 170465147 C Phenoxybenzamine hydrochloride CC(COc1ccccc1)N(Cc2ccccc2)CCCl Tox21_110087_1 -NCGC00260063-01 196724890 tox21-ror-cho-viability-p1 set3 4 8.5822609669 11.541051388 -4.041051388 7.5 0.4 0.615989981 0.086916188 -1.4729167 -4.85596398 -6.28420949 -2.686168 -2.69832181 -1.49787309 -2.23110947 -1.7153366 1.08085887 -3.91553401 0.85005882 5.78440105 -0.99561695 4.54537237 4.14448991 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.00009175 102-54-5 7611 144209712 A F Ferrocene [Fe+2].[c-]1cccc1.c1[c-]ccc1 Tox21_202514 -NCGC00015897-08 196725296 tox21-ror-cho-viability-p1 set3 4 1.4424613 0.25059093 0.72492628 6.96778843 11.42190413 7.25326071 12.41115289 10.54437703 6.84601452 17.13417004 15.02847242 2.67762172 -0.9491618 0.0701798 0.87557168 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 95635-55-5 56959 170465435 A Ranolazine OC(CN1CCN(CC1)CC(=O)Nc2c(C)cccc2C)COc3ccccc3OC Tox21_110258_1 -NCGC00023939-11 196725298 tox21-ror-cho-viability-p1 set3 4 3.58978949 2.30216256 -0.38476274 2.49877203 0.4648407 2.13427694 2.65208532 3.52840931 1.81670666 1.36483839 -1.0316904 0.51443309 3.50298451 9.2767398 0.74880785 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53-06-5 222786 170466316 A Cortisone OCC(=O)[C@@]3(O)CC[C@H]2[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4C(=O)C[C@@]23C Tox21_111539_1 -NCGC00178580-03 196725309 tox21-ror-cho-viability-p1 set3 4 -14.38076035 0 6.3425888 4.71362722 -10.97592534 3.84691763 -12.69925096 7.12883727 2.44446906 -0.77973033 5.74905548 -11.48266533 -13.90187146 6.75911967 6.52539273 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87-89-8 892 170465541 Z myo-Inositol O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O Tox21_111642_1 -NCGC00163903-03 196725315 tox21-ror-cho-viability-p1 set3 4 0.0020496777 -11.454278108 11 -0.454278108 1.4787409999 0.5396446139 0.1463463963 7.59034176 2.96264273 2.51635994 0.50926362 -0.70925248 -0.08946101 -4.12856509 -2.68564486 -0.63663487 4.76201949 -3.94817588 -0.32792966 -0.39675425 0.31396993 0.45991433 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00159424-04 196725786 tox21-ror-cho-viability-p1 set3 -1.1 1.6785492 -90.4848069372 6.0843652474 -84.4004416898 1.826479391 0.9679313226 7.076E-7 0.82135132 1.87842187 9.12159593 0.64269025 9.17391742 10.9416374 6.62179615 6.85852468 0.48605044 -3.3446818 -59.39337175 -58.32860959 -81.33921416 -87.37105765 -78.52673603 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97-74-5 7347 170465567 A Tetramethylthiuram monosulfide CN(C)C(=S)SC(=S)N(C)C Tox21_111656_1 -NCGC00248312-02 196725380 tox21-ror-cho-viability-p1 set3 4 0 -0.88986387 -4.49084552 0.65367436 3.38897339 -0.40993122 0.48236981 3.49526482 -4.8528868 -0.25960453 0.11314083 -10.24842746 -2.71079961 -0.59917161 -1.75124067 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104-20-1 61007 170466690 F A 4-(4-Methoxyphenyl)-2-butanone COc1ccc(CCC(C)=O)cc1 Tox21_113654 -NCGC00094918-07 196725383 tox21-ror-cho-viability-p1 set3 4 1.333319023 -8.509413676 6 -2.509413676 4.9549173134 0.4021110596 0.286707054 3.77456316 0.96248116 5.2770227 3.95136035 2.83111638 13.5740601 13.99319544 -0.12668565 3.39972929 10.86706567 -6.25784473 -3.25142752 -1.60641746 0.4676849 6.14566853 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 81-07-2 5143 170465766 A Saccharin O=C2NS(=O)(=O)c1ccccc12 Tox21_111358_1 -NCGC00090910-03 196725387 tox21-ror-cho-viability-p1 set3 4 -6.30098336 -2.64588688 -5.07450251 -2.35651435 -3.05224442 -5.86669462 -5.88452726 1.84185676 -4.14973452 2.15103606 -1.61070222 -3.04583126 -0.82079177 1.06154754 -1.60084731 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00262968-01 196725791 tox21-ror-cho-viability-p1 set3 4 2.17243218 -1.72803782 2.51734457 -0.54555946 -1.41011284 0.59463799 1.63108072 3.45130011 -2.20587213 5.1718544 3.65654272 1.68515896 1.55824853 -2.37288732 1.57187437 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 29608-49-9 6918543 170466171 A A Almitrine dimethanesulfonate CS(=O)(=O)O.CS(=O)(=O)O.Fc1ccc(cc1)C(c2ccc(F)cc2)N3CCN(CC3)c4nc(NCC=C)nc(NCC=C)n4 Tox21_113959 -NCGC00249887-01 196725806 tox21-ror-cho-viability-p1 set3 4 0.0118832183 7.5 1.5 9 1.9673362061 0.3389447883 0.330907695 0.59540181 3.16996484 1.53855856 1.47482431 9.53241715 1.50080018 16.31622695 10.77706187 9.72499025 17.57029613 9.5701508 2.82453179 2.02773505 8.31203399 9.37863553 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 74517-78-5 52195 170465192 A A Indecainide NC(=O)C3(CCCNC(C)C)c1ccccc1c2ccccc23 Tox21_113663 -NCGC00163724-03 196711687 tox21-ror-cho-viability-p1 set2 4 -1.24503549 -3.02835431 0.56845537 1.37613556 -1.28920669 3.26891478 1.97446169 4.03918627 0.98972148 1.92175885 4.6089965 6.93215622 -0.21704582 0.16943115 -2.59064956 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00260428-01 196711677 tox21-ror-cho-viability-p1 set2 4 6.7475106142 -25.356492164 3 -22.356492164 0.2 0.5954524606 0.1004412271 0.86909501 -0.35059454 -1.28913812 -0.54343797 -0.08537123 -10.83402096 -9.15128076 -6.37602288 -3.62995885 -11.39263878 -3.55058078 -4.98327119 -11.29054742 -16.96374347 -13.99438294 1.164E-9 2.603E-9 5.8199999999E-9 1.301E-8 2.91E-8 6.507E-8 1.4549999999E-7 3.254E-7 7.275E-7 0.0000016269999999 0.0000036379999999 0.000008134 0.00001819 0.00004067 0.00009094 96-37-7 7296 144210080 F Methylcyclopentane CC1CCCC1 Tox21_202882 -NCGC00260338-01 196711691 tox21-ror-cho-viability-p1 set2 2.4 0.2371254358 29.6151332401 0.3848667599 30 4.4494702849 0.9541620653 0.0000052567 0.15290745 -0.02424367 1.65791731 2.18940808 -0.05448055 -0.92016892 -0.9292777 -0.39069073 -0.45263226 3.97657627 1.74854365 -0.4518089 1.78476622 4.09694525 25.23748782 4.424E-12 9.892E-12 2.212E-11 4.946E-11 1.106E-10 2.4729999999E-10 5.53E-10 1.237E-9 2.765E-9 6.183E-9 1.382E-8 3.091E-8 6.912E-8 1.5459999999E-7 3.456E-7 1746-01-6 15625 144209990 Fns 2,3,7,8-Tetrachlorodibenzo-p-dioxin Clc1cc2Oc3cc(Cl)c(Cl)cc3Oc2cc1Cl Tox21_202792 -NCGC00356982-01 196711692 tox21-ror-cho-viability-p1 set2 2.4 61.130564862 21.4422048841 1.5577951159 23 0.7999999999 0.7325616751 0.0253502591 -0.36850407 3.90406133 1.70714676 2.766599 3.01866175 0.60876227 1.03538477 5.79238897 4.19197239 5.35334971 2.62807165 4.6404789 3.08491093 10.36298201 18.27804958 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89415-87-2 62299 251919730 F 1,3-Dichloro-5-ethyl-5-methylhydantoin CC1(CC)C(=O)N(Cl)C(=O)N1Cl Tox21_303928 -NCGC00091009-05 196712097 tox21-ror-cho-viability-p1 set2 -2.4 30.876334249 -55.677568975 -5.107051725 -60.7846207 1.21 0.6510584741 0.0632671784 -5.95228045 -4.56362205 -11.0575017 -7.12724164 -6.40127726 -10.18320686 0 -25.81533353 0 -0.1401621 -18.09975385 0 -37.00077695 -27.03855011 -51.07051725 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00344532-01 196712504 tox21-ror-cho-viability-p1 set2 4 4.34044388 2.48227649 1.5091313 3.6278171 2.81327951 3.53085132 2.06442769 -1.16336135 2.36407777 2.60029847 0.6239147 -0.58257124 -0.6925658 3.73758811 0.80425102 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 526-99-8 3037582 170464883 Z Mucic acid O[C@@H]([C@H](O)[C@H](O)[C@@H](O)C(=O)O)C(=O)O Tox21_113190_1 -NCGC00091830-04 196710047 tox21-ror-cho-viability-p1 set2 4 4.26596188 4.61237241 3.87645163 1.07687689 2.42934829 0.80695616 -0.07667111 3.2037011 3.03168849 3.07910281 0.01349131 2.73458542 -1.56544525 1.1323357 -0.39002884 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00259446-01 196709639 tox21-ror-cho-viability-p1 set2 4 -0.08825182 -3.83774005 -4.39118324 -14.89226627 -3.8354035 -3.76344261 -8.03678153 0.37821045 -0.90846442 0.23692797 -3.93381724 0.79917605 0.78375392 -5.28612921 -5.92967728 1.1839999999E-9 2.647E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.618E-8 1.4799999999E-7 3.309E-7 7.399E-7 0.000001655 0.0000037 0.0000082729999999 0.0000185 0.00004136 0.000092489999999 2783-94-0 5359810 144209095 A A FD&C Yellow 6 [Na+].[Na+].O=S([O-])(=O)c3ccc(/N=N/c1c2ccc(cc2ccc1O)S([O-])(=O)=O)cc3 Tox21_201897 -NCGC00256238-01 196710043 tox21-ror-cho-viability-p1 set2 4 0.38358123 1.98209154 1.43168152 0.13535841 1.83140174 1.58112535 -1.95302175 -1.92906101 -2.2667954 -1.7830342 -0.70939164 -0.28968044 -0.08931 0.67376434 0.45371833 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13360-78-6 23672293 144212078 Ac Sodium bis(2-methylpropyl)phosphinodithioate [Na+].[S-]P(=S)(CC(C)C)CC(C)C Tox21_301761 -NCGC00255951-01 196710045 tox21-ror-cho-viability-p1 set2 4 21.6899429044 -17.002178264 6 -11.002178264 0.6999999999 0.8003491864 0.007980933 5.29911649 8.26747854 1.15366839 6.00599706 7.2827699 7.5882763 4.30472691 4.13642852 5.18021961 4.66838417 -1.16022074 -0.24318361 0.72013051 -4.30840872 -7.50181522 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81-64-1 6688 144212358 A Ac 1,4-Dihydroxyanthracene-9,10-dione O=C2c1ccccc1C(=O)c3c2c(O)ccc3O Tox21_302041 -NCGC00255234-01 196710459 tox21-ror-cho-viability-p1 set2 4 2.07881821 0.07110356 -0.35670973 0.73848984 0.76157555 0.69316103 0.03362101 0.19806645 2.40048845 2.84408473 1.39697698 -0.66422473 -0.58628237 -0.46424113 6.88983651 7.55E-10 1.688E-9 3.775E-9 8.441E-9 1.888E-8 4.221E-8 9.438E-8 2.1099999999E-7 4.719E-7 0.0000010549999999 0.0000023589999999 0.000005276 0.0000118 0.000026379999999 0.000058989999999 90823-38-4 64772 144212668 A A Denatonium saccharide CC[N+](Cc1ccccc1)(CC)CC(=O)Nc2c(C)cccc2C.O=C1[N-]S(=O)(=O)c2ccccc12 Tox21_302351 -NCGC00255674-01 196710468 tox21-ror-cho-viability-p1 set2 4 48.5577336745 -22.313779268 1 -21.313779268 2.1876167061 0.897347227 0.0003708672 4.3328154 -0.07966127 -0.23180057 3.19444264 -1.70096609 -0.01942056 2.35529752 0.38856451 -1.84215191 0.23936954 2.16895135 0.60697583 -1.85673792 -8.31634943 -16.92814939 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13347-42-7 61594 144211545 A B 4-Chloro-2-cyclopentylphenol Clc1ccc(O)c(c1)C2CCCC2 Tox21_301228 -NCGC00259144-01 196709438 tox21-ror-cho-viability-p1 set2 4 -1.32399071 -3.81366875 -1.68201524 -1.93893769 0.97974363 -0.03989517 -0.33320369 -1.69686397 1.52218578 -2.31034509 -2.7269392 -1.3999456 0.43323527 -2.58726359 -3.53330902 1.1689999999E-9 2.614E-9 5.845E-9 1.3069999999E-8 2.922E-8 6.535E-8 1.461E-7 3.267E-7 7.306E-7 0.0000016339999999 0.000003653 0.0000081679999999 0.00001826 0.00004084 0.000091319999999 55-38-9 3346 144208793 A B Fenthion Cc1cc(ccc1SC)OP(=S)(OC)OC Tox21_201595 -NCGC00259170-01 196709033 tox21-ror-cho-viability-p1 set2 4 -0.86373105 -0.06500223 -0.06907961 -1.02198905 3.80125592 4.42048161 -0.50508441 -0.05148098 3.2709186 5.14351117 0.44930632 5.75506763 7.51154024 5.76400461 2.98474267 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.613E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.00001848 0.00004133 0.00009242 540-72-7 516871 144208819 Sodium thiocyanate [Na+].[S-]C#N Tox21_201621 -NCGC00259769-01 196709036 tox21-ror-cho-viability-p1 set2 4 -2.60242731 1.51225377 -6.88799792 -3.14142288 -2.7999 -0.726351 -1.68559168 -0.09209153 0.39504175 -0.02681964 -0.36351678 -1.19444451 0.46015509 1.26716193 -3.411306 1.167E-9 2.609E-9 5.8329999999E-9 1.304E-8 2.917E-8 6.522E-8 1.458E-7 3.261E-7 7.2919999999E-7 0.0000016299999999 0.000003646 0.000008152 0.00001823 0.000040759999999 0.00009115 92-69-3 7103 144209418 A A 4-Phenylphenol Oc1ccc(cc1)c2ccccc2 Tox21_202220 -NCGC00259795-01 196709437 tox21-ror-cho-viability-p1 set2 4 1.23008686 0.51107765 1.44335978 0.59916412 -1.7283972 -3.07960173 -2.43120691 -0.0140047 -3.65945446 -1.02170023 -0.63196799 -1.4329288 -2.55555122 0.82357354 -3.12551414 1.2069999999E-9 2.7E-9 6.037E-9 1.3499999999E-8 3.019E-8 6.75E-8 1.509E-7 3.375E-7 7.547E-7 0.000001687 0.000003773 0.0000084369999999 0.00001887 0.000042189999999 0.00009433 60-51-5 3082 144209444 A C Dimethoate COP(=S)(OC)SCC(=O)NC Tox21_202246 -NCGC00259329-01 196709442 tox21-ror-cho-viability-p1 set2 4 -1.34220975 -0.39985633 0.4454372 1.37190833 0.68364664 0.91495595 0.09251013 1.44188697 1.70973026 0.93700601 1.8860175 1.06315214 -0.14281084 2.19335131 3.96301803 1.1759999999E-9 2.63E-9 5.8799999999E-9 1.315E-8 2.94E-8 6.574E-8 1.4699999999E-7 3.2869999999E-7 7.35E-7 0.0000016439999999 0.0000036749999999 0.000008218 0.000018379999999 0.00004109 0.00009188 124-68-5 11807 144208978 A A 2-Amino-2-methylpropan-1-ol CC(C)(N)CO Tox21_201780 -NCGC00257496-01 196707808 tox21-ror-cho-viability-p1 set1 4 3.90080398 0.53464069 -7.63179244 -2.63880447 -1.36013972 -0.00307385 3.01930333 0.8327008 0.04546766 0.28331513 4.0429865 0.09193189 1.0015209 1.78225873 0.51257426 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 115-77-5 8285 144213878 A A Pentaerythritol OCC(CO)(CO)CO Tox21_303573 -NCGC00256691-01 196706984 tox21-ror-cho-viability-p1 set1 4 0.0017228934 -20.423948448 1.743494056 -18.680454392 2.3031167061 0.5778330032 0.1287229476 -4.38042162 -13.03064767 -18.6372725 -14.39248894 -15.52045608 -23.90037866 -13.7907951 -20.93859124 -22.55449631 -23.61003457 -17.86903497 -19.07848801 -14.80518055 -16.03683396 -9.6550441 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 141-25-3 81263 144212942 Ac F Rhodinol CC(=C)CCC[C@H](C)CCO Tox21_302625 -NCGC00256584-01 196706989 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -20.348346352 0.5 -19.848346352 4.9549173134 0.7558498784 0.0179557212 0.31593038 1.64745061 0.12105276 -0.21417069 0.72170697 -0.35873781 0.19391446 5.25919994 -1.22492941 3.64071107 -0.3112221 -0.76300215 -4.75220971 0.3908436 -14.87362196 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-16-5 7327 144213127 A A 2,4-Dichlorophenyl benzenesulfonate Clc2cc(Cl)ccc2OS(=O)(=O)c1ccccc1 Tox21_302810 -NCGC00256474-01 196707392 tox21-ror-cho-viability-p1 set1 4 3.46977049 0.41815434 0.53379139 2.15424969 0.14182912 0.92181071 4.98440339 1.23306771 2.3975668 2.4037183 3.22563584 3.25806743 0.4610258 4.00781724 9.12199654 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-70-9 7522 144213149 A F 2-Pyridinecarbonitrile N#Cc1ccccn1 Tox21_302832 -NCGC00256442-01 196707813 tox21-ror-cho-viability-p1 set1 4 -5.2718308 -8.30283819 -6.80746128 -5.23065778 -12.96106002 -10.56840603 -20.87195971 -8.22738809 2.08376342 -13.19639733 -1.51901454 -14.83880119 -13.11409779 -1.43642586 -11.90089893 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 427-51-0 9880 144213258 A A Cyproterone acetate CC(=O)[C@@]4(OC(C)=O)CC[C@H]3[C@@H]5C=C(Cl)C2=CC(=O)[C@@H]1C[C@@H]1[C@]2(C)[C@H]5CC[C@@]34C Tox21_302941 -NCGC00256422-01 196707821 tox21-ror-cho-viability-p1 set1 4 0.0611305649 -8.0056938679 -2 -10.0056938679 1.0999999999 0.3673250405 0.3036553326 -0.1869023 -6.53842233 -3.31482286 -0.53017928 -2.12112022 -6.06923466 -14.12333052 0.1318395 -15.00474489 -13.87413488 -12.9870444 -4.62123064 -7.76889577 -6.86965318 -14.26523508 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55268-74-1 4891 144213244 A A Praziquantel O=C2CN(CC1c3ccccc3CCN12)C(=O)C4CCCCC4 Tox21_302927 -NCGC00257430-01 196708217 tox21-ror-cho-viability-p1 set1 -1.2 0.685896219 -31.7565592576 1.5 -30.2565592576 1.0999999999 0.9576277535 0.0000033782 3.69149839 0.30168904 0.54530539 0.52495697 -0.71356016 -0.49752965 -0.28256313 -10.21917744 -16.04991229 -20.13409916 -22.96599903 -32.04439575 -35.16308256 -29.00760564 -24.41897117 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66-81-9 6197 144213954 A A Cycloheximide O=C2CC(C[C@@H](O)[C@@H]1C[C@@H](C)C[C@H](C)C1=O)CC(=O)N2 Tox21_303652 -NCGC00257493-01 196708221 tox21-ror-cho-viability-p1 set1 -1.2 11.5550258025 -34.4873839519 1 -33.4873839519 3.0654483358 0.8961553013 0.0003884671 5.08938018 -0.62502665 0.92390174 -9.88628998 -0.00279857 2.05617989 1.33668519 2.33501095 1.76830978 -1.22009724 2.91818222 -1.20022913 -32.23897801 -34.57281996 -27.36255571 1.128E-9 2.523E-9 5.642E-9 1.2619999999E-8 2.821E-8 6.3079999999E-8 1.4099999999E-7 3.154E-7 7.052E-7 0.0000015769999999 0.0000035259999999 0.000007885 0.00001763 0.00003942 0.00008816 134-31-6 517000 144213843 D A 8-Hydroxyquinoline sulfate O=S(=O)(O)O.Oc1cccc2cccnc12.Oc1cccc2cccnc12 Tox21_303537 -NCGC00255080-01 196720568 tox21-ror-cho-viability-p1 set3 4 7.30635686 -1.95988452 2.49623161 15.82021121 17.72517399 8.65813914 7.24171138 3.38695222 -2.81203342 3.17706647 3.9928026 3.01028545 3.34879585 -5.20943928 3.61802382 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 11070-44-3 3033842 144211499 FNS Isomethyltetrahydrophthalic anhydride O=C1OC(=O)C2(C)CCCC=C12 Tox21_301182 -NCGC00259695-01 196721371 tox21-ror-cho-viability-p1 set3 4 -3.95045076 -2.50222069 -2.87366875 -2.7267163 -8.1113123 -9.5513222 -3.62037294 -8.26964923 -6.43489535 -1.25850817 -9.31327827 -7.29129255 -8.49344565 0.55570893 -3.19316143 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.952E-8 6.6E-8 1.476E-7 3.3E-7 7.379E-7 0.0000016499999999 0.00000369 0.0000082499999999 0.000018449999999 0.00004125 0.000092239999999 112-59-4 8199 144209344 A A 2-[2-(Hexyloxy)ethoxy]ethanol OCCOCCOCCCCCC Tox21_202146 -NCGC00163771-03 196720578 tox21-ror-cho-viability-p1 set3 4 -3.94809572 0.15035451 11.80372366 -0.64853848 2.04530151 -1.04298375 4.67418342 -1.29379989 -3.132251 -0.59904388 -1.84554804 1.83641408 2.73108488 4.46220431 4.42828812 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00254463-01 196720165 tox21-ror-cho-viability-p1 set3 4 4.69190472 2.75712185 1.13817156 3.80306323 4.12169078 14.22161692 -4.93773772 -4.29302437 11.59199224 -3.75390292 -0.14541634 2.10827233 -5.20804146 -2.18521255 7.86397674 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 100-97-0 4101 144210820 A Ac Methenamine C1N3CN2CN(CN1C2)C3 Tox21_300502 -NCGC00254999-01 196720569 tox21-ror-cho-viability-p1 set3 4 4.21932763 -2.8242187 7.15136848 3.23965789 3.12029134 4.71303271 18.32241016 5.98475646 4.64951588 -0.78724126 3.5457282 0.69325471 2.54420879 -3.92224008 -3.41108957 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4824-78-6 20965 144211416 B C Bromophos-ethyl Clc1cc(OP(=S)(OCC)OCC)c(Cl)cc1Br Tox21_301099 -NCGC00254057-01 196720583 tox21-ror-cho-viability-p1 set3 4 -4.99025548 3.74903384 -9.27164892 -6.66419863 -4.78591226 -4.25799349 1.76936639 -2.39885537 1.33561539 -3.40648047 1.52780787 -1.32896405 -1.34124779 -2.85902129 1.63071764 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58-08-2 2519 144210330 A A Caffeine O=C2c1n(C)cnc1N(C)C(=O)N2C Tox21_300010 -NCGC00259339-01 196720979 tox21-ror-cho-viability-p1 set3 4 42.7056196033 14.9545325479 -4.9545325479 10 2.7202212143 0.8469230191 0.0025139804 -7.04544379 -6.95261092 -5.25030115 -2.6726851 -3.59355258 -5.50815482 -5.143167 -5.27451517 -4.73569541 -1.23902189 -4.38945827 -6.7691231 -3.50435052 2.31703383 8.00074811 1.167E-9 2.609E-9 5.8339999999E-9 1.305E-8 2.917E-8 6.523E-8 1.459E-7 3.261E-7 7.2929999999E-7 0.000001631 0.000003646 0.000008154 0.00001823 0.00004077 0.000091159999999 112-52-7 8192 144208988 AC Fns 1-Chlorododecane CCCCCCCCCCCCCl Tox21_201790 -NCGC00091650-03 196720982 tox21-ror-cho-viability-p1 set3 4 27.3060203028 9.698909832 -2.698909832 7 4.0949729863 0.420166444 0.2719953468 -0.14166935 -3.51318825 1.02267783 2.59790076 -4.79965192 -6.83242486 -5.53540512 -3.20599562 -3.06638539 -1.36843946 -4.82491979 -0.50842732 -1.10185047 5.80081605 -12.83854558 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00259833-01 196720996 tox21-ror-cho-viability-p1 set3 4 0.0273060203 -4.09506412 2 -2.09506412 4.9549173134 0.3861870971 0.2883460688 -0.72033322 3.46394851 -0.44690377 6.19717463 -0.36882014 -4.58032625 -3.04914526 -0.11407606 -7.5792201 -1.48928782 -2.12222188 -2.11621563 1.02740691 -1.22174091 -1.31193642 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 87-51-4 802 144209482 A A Indole-3-acetic acid O=C(O)Cc2cnc1ccccc12 Tox21_202284 -NCGC00258987-01 196721384 tox21-ror-cho-viability-p1 set3 4 -7.18858349 -2.22790311 0.95029717 9.69012497 -3.88414851 -5.09130171 -5.16752114 -5.61745996 -6.03477086 -0.63286518 -3.45603621 -3.22709284 -3.91927199 5.90395458 4.86913984 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.552E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.000003662 0.00000819 0.00001831 0.00004095 0.00009156 108-65-6 7946 144208634 A A 1-Methoxy-2-propyl acetate CC(=O)OC(C)COC Tox21_201436 -NCGC00259417-01 196721400 tox21-ror-cho-viability-p1 set3 -2.4 76.6458749207 -32.344245252 -4 -36.344245252 3.9294729863 0.8070945146 0.0068576642 -8.17306102 1.98004493 -3.27378097 -6.00808995 -1.79349089 -2.59143323 -10.09611846 -4.28733479 -5.20420224 -5.64016951 -3.9654766 -5.23255242 -4.98990742 -5.98488323 -26.95353771 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.315E-8 2.9389999999E-8 6.573E-8 1.4699999999E-7 3.2859999999E-7 7.3489999999E-7 0.000001643 0.000003674 0.0000082159999999 0.00001837 0.00004108 0.000091859999999 434-13-9 9903 144209066 A A Lithocholic acid O=C(O)CC[C@@H](C)[C@H]4CC[C@@H]3[C@]4(C)CC[C@H]1[C@H]3CC[C@@H]2C[C@H](O)CC[C@]12C Tox21_201868 -NCGC00259624-01 196721782 tox21-ror-cho-viability-p1 set3 4 -4.6167847 -1.97946053 -3.96923164 -5.51287873 0.0772479 -2.91580092 -4.49683344 -2.09315958 -1.32074197 -2.20115356 -5.30086984 -2.33011363 -3.59442094 -8.82393393 -2.09520853 1.194E-9 2.6689999999E-9 5.968E-9 1.3339999999E-8 2.9839999999E-8 6.672E-8 1.4919999999E-7 3.3359999999E-7 7.4599999999E-7 0.000001668 0.00000373 0.00000834 0.00001865 0.0000417 0.00009324 532-27-4 10757 144209273 D 2-Chloroacetophenone O=C(CCl)c1ccccc1 Tox21_202075 -NCGC00259134-01 196721784 tox21-ror-cho-viability-p1 set3 4 15.730835312 9.7330605759 -8.2330605759 1.5 4.9549173134 0.3635154291 0.3236773716 -9.23980942 -4.10902303 -8.51391685 -4.67287692 -9.29849579 -14.83992522 -7.96171857 -6.05889507 -10.80662476 -3.42359537 -4.47024956 -17.27755048 -0.41309948 1.02684001 -5.66212759 1.204E-9 2.692E-9 6.019E-9 1.346E-8 3.009E-8 6.729E-8 1.5049999999E-7 3.365E-7 7.5239999999E-7 0.000001682 0.0000037619999999 0.000008412 0.000018809999999 0.00004206 0.00009405 112-42-5 8184 144208783 A A 1-Undecanol CCCCCCCCCCCO Tox21_201585 -NCGC00256326-01 196727054 tox21-ror-cho-viability-p1 set3 4 -3.79587736 -3.87713187 -0.90703957 -2.07577314 0.30299981 -2.42873822 -0.40441236 0.18933093 -3.50592283 -16.89961559 0 -2.10942415 -3.31936371 0.71499264 -12.70360177 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 20265-97-8 2734956 144213226 A A 4-Methoxyaniline hydrochloride Cl.Nc1ccc(OC)cc1 Tox21_302909 -NCGC00257467-01 196726557 tox21-ror-cho-viability-p1 set3 -2.4 0.0015355304 -24.65918932 25.5 0.84081068 4.9549173134 0.9240619838 0.0000797513 20.38730728 2.03093534 3.26115899 3.69020946 1.8201519 1.0596856 -0.9659911 2.35729411 -0.2706549 1.51650558 -0.70307015 0.77908209 -0.81212163 1.84647741 0.77986869 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-86-6 8861 144213714 B B 2,6-Diaminopyridine Nc1cccc(N)n1 Tox21_303403 -NCGC00256470-01 196726978 tox21-ror-cho-viability-p1 set3 4 -0.25586506 -1.36187421 0.34220329 -0.77790473 2.07063498 -1.09246724 1.75154702 1.63625457 2.04353803 1.34450738 3.75719412 -2.18744749 -0.38407961 -0.16066832 -0.7573416 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27470-51-5 5362 144213095 A A Suxibuzone O=C(O)CCC(=O)OCC2(CCCC)C(=O)N(c1ccccc1)N(C2=O)c3ccccc3 Tox21_302778 -NCGC00090780-04 196727469 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -17.405904848 1.5 -15.905904848 3.6772481694 0.8530049521 0.0020962592 1.39766548 2.8716421 1.8818475 1.54677325 1.86056817 1.20515521 3.39627166 2.07037416 3.68286703 -1.19538158 -0.88713556 2.8740257 -0.17454192 -0.6166402 -11.58825404 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00257344-01 196727462 tox21-ror-cho-viability-p1 set3 4 -1.38749567 2.66470916 0.6140285 2.079579 -0.05823725 -1.98274276 0.45531819 1.90853502 4.92986295 1.58256881 -7.54641636 1.58519083 0.76243238 1.2197933 6.04320208 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 288-32-4 795 144213662 A A Imidazole c1cncn1 Tox21_303345 -NCGC00256544-01 196727467 tox21-ror-cho-viability-p1 set3 4 4.3277125691 10.6681931159 -5.1681931159 5.5 4.9549173134 0.726949299 0.0272577056 -1.87523666 -2.88977668 -1.75953601 -11.39016093 -5.47091149 -5.63945461 -10.46492064 -2.86021845 -6.07335232 -4.88754049 -3.34054144 8.82285129 3.24473663 4.75905307 4.90632773 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 142-46-1 2724564 144213344 A 2,5-Dithiobiurea NC(=S)NNC(N)=S Tox21_303027 -NCGC00256998-01 196727473 tox21-ror-cho-viability-p1 set3 4 2.02901721 0.49235345 -0.36320199 1.22522256 0 -5.01820354 0 0 -1.27348598 -2.61026808 -2.75077467 1.2524588 -0.33556181 1.37545946 -2.49852226 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 484-20-8 2355 144213572 A A 5-Methoxypsoralen COc1c3ccoc3cc2OC(=O)C=Cc12 Tox21_303255 -NCGC00257055-01 196727479 tox21-ror-cho-viability-p1 set3 4 2.25932006 -0.10708405 -0.01811837 -0.16289249 1.81345321 1.08326476 2.17206071 -0.20350324 1.68331744 4.54253691 4.32017182 0.61606428 -0.16574442 2.08447613 2.09840509 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 760-67-8 79103 144213575 F F 2-Ethylhexanoyl chloride CCCCC(CC)C(Cl)=O Tox21_303258 -NCGC00256264-01 196727876 tox21-ror-cho-viability-p1 set3 4 3.37396973 5.54719943 -4.22775887 -5.91487525 5.61508077 -2.25102867 1.39191224 -5.89611565 -0.67100655 -4.38901035 -7.06216304 2.99757013 -4.33502619 -3.03808398 8.43856117 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51410-72-1 106428 144212528 A A N,N,N-Trimethyl-3-[(2-methylacryloyl)amino]propan-1-aminium chloride [Cl-].C[N+](C)(C)CCCNC(=O)C(=C)C Tox21_302211 -NCGC00091499-05 196727873 tox21-ror-cho-viability-p1 set3 4 0.88605437 -4.4505471 -3.36699801 -1.01420283 2.47468825 1.56234951 5.08502792 0.18141993 1.03642663 2.60740356 5.04776624 1.73065734 1.37128125 0.41566434 1.23854773 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00091902-08 196727882 tox21-ror-cho-viability-p1 set3 4 3.59134211 -1.79935655 -6.90831365 -2.85407124 8.69617453 4.38601057 0.7176801 0.99302799 -4.13128694 -10.1470658 3.99235304 3.79798566 7.28289665 -4.45140523 0.82817896 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00163774-04 196727884 tox21-ror-cho-viability-p1 set3 4 2.68924907 -8.87105081 0.76334584 -11.75716787 6.74325498 -1.55819841 -5.09241056 -4.45292852 1.64402587 -4.85077928 1.82954343 7.61676453 -2.9784768 8.18264869 3.32673787 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00256249-01 196727897 tox21-ror-cho-viability-p1 set3 4 1.56085794 -3.40062387 -6.96135781 -9.31528139 4.20142738 -4.51519534 6.71162812 8.50605436 -9.15967605 -1.54402644 -3.57512358 1.91034427 11.68292821 6.12672059 1.2501387 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4630-07-3 9855795 144212714 Ac F Valencene C=C(C)[C@@H]1CCC2=CCC[C@@H](C)[C@]2(C)C1 Tox21_302397 -NCGC00260497-01 196711716 tox21-ror-cho-viability-p1 set2 2.4 17.1378047014 31.6278639639 -1.6278639639 30 0.6 0.7314065838 0.0255420643 -2.0275428 0.0982028 -1.78848518 -6.04752837 -6.77321997 4.04172201 0.80621774 0.81853613 2.45411722 3.9332974 7.97832409 10.21328772 3.78115613 9.68286462 26.56727544 6.002E-10 1.342E-9 3.001E-9 6.7099999999E-9 1.5E-8 3.355E-8 7.502E-8 1.678E-7 3.7509999999E-7 8.3879999999E-7 0.0000018759999999 0.000004194 0.0000093779999999 0.000020969999999 0.00004689 935-69-3 71593 144210149 F A 7-Methyladenine Nc1ncnc2ncn(C)c12 Tox21_202951 -NCGC00260646-01 196712113 tox21-ror-cho-viability-p1 set2 -2.4 33.4914596268 -33.882127996 5.5 -28.382127996 4.9549173134 0.8904105169 0.0005086779 2.26693892 2.54203453 2.04087825 4.48457693 5.86526353 4.3400875 5.404213 9.28137949 9.53566375 7.03447036 9.3026304 5.25031224 2.05470304 4.15776359 -23.65177333 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49542 144210299 M M NTP Mix87 ER AR1 18-EQC Tox21_203101 -NCGC00090708-05 196712134 tox21-ror-cho-viability-p1 set2 -1.4 4.3277125691 -29.4686846526 -0.639989405 -30.1086740576 1.8851180601 0.659827544 0.06933769 -0.36741853 -2.09282756 -0.65007538 -0.55421061 -1.22387129 -7.26345126 -1.08682838 1.18252524 -1.45683058 -0.01350167 -8.8685084 -37.63557711 -8.00775019 -40.21736881 -18.18244268 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00182996-01 196712532 tox21-ror-cho-viability-p1 set2 4 -2.21352019 -1.15331934 0.16935492 -2.72012558 1.11521855 -1.84269777 -3.47323703 -0.03410782 1.39707271 0.23604996 -1.26855532 0.40973871 -2.33736157 -2.58253084 -2.57179819 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 101001-34-7 65870 144206832 A A Pamicogrel O=C(OCC)Cn1cccc1c2nc(c(s2)c3ccc(OC)cc3)c4ccc(OC)cc4 Tox21_113281 -NCGC00015826-13 196712537 tox21-ror-cho-viability-p1 set2 4 -0.78461735 0.10717442 0.92226258 0.34005337 -0.02251484 -0.52321366 -0.12102821 -0.30539422 1.14807516 -0.24809521 -0.20279914 0.05492565 0.25527615 0.67533604 2.90668354 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-39-9 4748 170464834 A Perphenazine OCCN1CCN(CC1)CCCN2c4ccccc4Sc3ccc(Cl)cc23 Tox21_110233_1 -NCGC00185774-02 196712545 tox21-ror-cho-viability-p1 set2 4 -0.45594491 -0.24671851 -5.77202421 -3.80943146 -4.54076935 -0.32874415 -3.72667579 -4.02267849 1.14790194 0.16205325 0.43650337 2.20681916 0.20811688 1.72001733 0.75695279 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84611-23-4 65632 170465586 A Erdosteine O=C1SCCC1NC(=O)CSCC(=O)O Tox21_113176_1 -NCGC00091163-03 196712952 tox21-ror-cho-viability-p1 set2 4 -1.51726254 0.44761952 -1.24338649 1.86943468 3.43325039 0.80590462 0.87563322 0.40341634 3.69191588 -1.63253499 2.55760091 -0.94869694 -1.41781178 -1.74916934 0.38032187 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00091261-03 196712953 tox21-ror-cho-viability-p1 set2 4 0.0086349218 -16.4978058359 14 -2.4978058359 0.6 0.834686016 0.0035293865 10.46003701 8.91120357 8.9384213 1.91092556 1.97403114 1.66768765 -0.87823414 0.86819556 -0.73137018 -1.9854629 -0.57943931 -1.04297137 -2.39239105 0.04517434 -7.49817153 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00015061-13 196712962 tox21-ror-cho-viability-p1 set2 4 0.68259845 3.27092956 -1.37930975 -1.29934313 -0.06107463 -3.57098785 1.11235276 0.2689627 -1.82130609 1.25830618 -1.80462092 -3.91934179 1.30703015 1.06495152 0.98539974 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59277-89-3 2022 170464640 A Aciclovir NC2=Nc1c(ncn1COCCO)C(=O)N2 Tox21_110075_1 -NCGC00260447-01 196712162 tox21-ror-cho-viability-p1 set2 -2.4 30.6690184797 -31.6972427959 2 -29.6972427959 2.4063783767 0.9472332766 0.0000113118 -0.14837902 1.18117325 3.88201484 0.06594667 -0.7016444 4.3887217 2.75362987 3.62685052 3.94125976 5.51081203 -1.19590549 -1.95981103 -4.01433303 -18.45548424 -29.74770233 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.00000369 0.000008252 0.000018449999999 0.000041259999999 0.00009226 605-32-3 11796 144210099 A A 2-Hydroxyanthraquinone Oc2ccc3C(=O)c1ccccc1C(=O)c3c2 Tox21_202901 -NCGC00260091-01 196711730 tox21-ror-cho-viability-p1 set2 4 1.9075115 -0.88338602 1.90777507 1.55740421 2.73447654 -1.56055705 -1.98180567 -2.64502686 -1.99324068 -2.08144252 -2.01592574 -12.93686766 2.88244202 -3.5027552 -2.00658526 1.171E-9 2.617E-9 5.8529999999E-9 1.3089999999E-8 2.926E-8 6.543E-8 1.463E-7 3.2719999999E-7 7.316E-7 0.0000016359999999 0.000003658 0.0000081789999999 0.00001829 0.0000409 0.00009145 1271-19-8 5284468 144209740 Fns Titanocene dichloride [Cl-].[Cl-].C=2CC([Ti+2]C1=CC=CC1)=CC=2 Tox21_202542 -NCGC00260329-01 196712139 tox21-ror-cho-viability-p1 set2 4 30.1016591989 -31.609652076 -1 -32.609652076 0.4 0.4444189884 0.229418306 -2.54456965 -0.4264336 -3.03757783 -0.35015991 -0.07175019 0.43545591 -4.21891241 -6.63217319 -8.26425567 -3.99663556 -3.22585768 -21.73325167 -3.76931436 -4.54130626 -23.84137673 3.035E-10 6.786E-10 1.5169999999E-9 3.393E-9 7.587E-9 1.697E-8 3.794E-8 8.483E-8 1.897E-7 4.2409999999E-7 9.484E-7 0.000002121 0.000004742 0.000010599999999 0.000023709999999 971-15-3 70414 144209981 F Bis(1-piperidinylthioxomethyl)hexasulfide S=C(SSSSSSC(=S)N1CCCCC1)N2CCCCC2 Tox21_202783 -NCGC00259894-01 196705746 tox21-ror-cho-viability-p1 set1 -1.2 21.5576648745 -33.5348519479 3.5 -30.0348519479 4.0949729863 0.9616702507 0.0000019343 3.90239646 5.85589079 3.30140825 7.92120441 5.44486202 0.86950014 1.44903034 1.61694162 4.42765485 5.73769201 -1.05208122 1.45266895 -7.40054879 -27.52924633 -30.02904329 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003667 0.000008201 0.00001834 0.000041 0.00009169 123-31-9 785 144209543 A A Hydroquinone Oc1ccc(O)cc1 Tox21_202345 -NCGC00259064-01 196709481 tox21-ror-cho-viability-p1 set2 4 3.54478113 0.79860156 1.95507373 3.11652542 1.07394414 -0.43800332 0.39563397 -0.16327394 3.05302173 -0.74120028 1.80219795 1.94283251 3.36194301 2.09152821 4.46483184 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 5419-55-6 21531 144208712 D Triisopropyl orthoborate CC(C)OB(OC(C)C)OC(C)C Tox21_201514 -NCGC00255583-01 196709889 tox21-ror-cho-viability-p1 set2 4 4.54790839 3.23734581 3.31751906 1.10339813 0.85724734 -0.02268704 0.22387278 -1.58235708 0.7850757 2.32534426 2.08743496 -0.87951932 -1.12094563 0.93832398 0.14421009 9.851E-10 2.203E-9 4.9249999999E-9 1.101E-8 2.463E-8 5.5069999999E-8 1.2309999999E-7 2.753E-7 6.157E-7 0.000001377 0.0000030779999999 0.000006883 0.00001539 0.00003442 0.00007696 27344-41-8 33786 144211857 Ac Disodium 4,4'-bis(2-sulfostyryl)biphenyl [Na+].[Na+].O=S([O-])(=O)c4ccccc4C=Cc1ccc(cc1)c3ccc(C=Cc2ccccc2S([O-])(=O)=O)cc3 Tox21_301540 -NCGC00256081-01 196709891 tox21-ror-cho-viability-p1 set2 4 -11.83569081 -6.12710844 -12.22127834 -14.11771592 -10.52731426 -9.29478583 -10.92274221 -9.81448056 -7.76745985 -7.02585757 -9.71710231 -8.02534971 -5.75132807 -12.03732004 -5.62306422 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3386-87-6 76921 144211791 A A 3,3'-(Ethylenedioxy)dipropiononitrile N#CCCOCCOCCC#N Tox21_301474 -NCGC00164489-04 196705334 tox21-ror-cho-viability-p1 set1 4 -0.2388336 0.64680816 1.8366041 -0.25768129 -0.54248509 1.69560129 -0.73572468 -0.24637473 0.34349066 0.60444233 -4.43867417 4.26128621 2.56920187 -0.0317669 0.74222229 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 490-55-1 10275 170466084 A Amiphenazole Nc2nc(N)sc2c1ccccc1 Tox21_112128_1 -NCGC00262927-01 196705338 tox21-ror-cho-viability-p1 set1 4 0.50206013 1.35859002 2.43273281 -2.64158347 0.24219133 4.02771273 0.54403604 0.10600647 1.7206706 -0.30536671 0.22816236 0.66264925 1.22177162 1.29325779 2.65963163 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72822-13-0 6917787 170466549 A Dapiprazole hydrochloride Cl.Cc4ccccc4N3CCN(CCc1nnc2CCCCn12)CC3 Tox21_113035_1 -NCGC00015959-09 196705341 tox21-ror-cho-viability-p1 set1 -1.1 1.635346279 -84.5379990437 -2.171913003 -86.7099120467 2.4063783767 0.9934060422 1E-10 -4.86002802 -1.62665961 -4.12158446 -1.75986757 -3.77189636 -0.97125822 -0.19012043 -2.11675698 0.18229166 -5.91626996 -21.97141117 -52.49544157 -86.53683837 -85.50282634 -81.88095307 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 2447-54-3 5154 170466353 A Sanguinarine C[n+]2cc1c6OCOc6ccc1c3ccc4cc5OCOc5cc4c23 Tox21_110268_1 -NCGC00259382-01 196705753 tox21-ror-cho-viability-p1 set1 4 1.54934965 1.89957355 -1.29650196 -1.89427279 -0.81862623 -2.1006154 0.64162799 0.01952455 -3.23832273 6.39028771 0.42869315 -1.83572195 0.66485542 4.28688637 0.81002466 1.1999999999E-9 2.684E-9 6.002E-9 1.3419999999E-8 3.0009999999E-8 6.711E-8 1.501E-7 3.355E-7 7.5029999999E-7 0.0000016779999999 0.0000037519999999 0.0000083889999999 0.00001876 0.000041939999999 0.00009379 121-17-5 8462 144209031 A A 1-Chloro-2-nitro-4-(trifluoromethyl)benzene O=[N+]([O-])c1cc(ccc1Cl)C(F)(F)F Tox21_201833 -NCGC00259797-01 196705754 tox21-ror-cho-viability-p1 set1 4 46.8345750451 -23.428981252 -3 -26.428981252 2.3331733767 0.6488264817 0.064869867 -5.05373481 -3.02738677 -3.36218083 -2.23446219 -8.83575785 -8.70627169 -0.15601078 -6.64536916 -6.32352297 -0.4859053 2.95193678 -0.65294833 1.29660694 -15.92005069 -21.19081771 1.1449999999E-9 2.5609999999E-9 5.726E-9 1.28E-8 2.863E-8 6.4019999999E-8 1.431E-7 3.2009999999E-7 7.157E-7 0.0000016 0.000003579 0.000008002 0.00001789 0.00004001 0.00008947 12674-11-2 38037 144209446 F Aroclor 1016 Clc1cc(cc(Cl)c1)c2cccc(Cl)c2 Tox21_202248 -NCGC00259096-01 196705755 tox21-ror-cho-viability-p1 set1 -2.2 21.4255219831 -39.8508463556 -4 -43.8508463556 1.331 0.93481381 0.0000352584 -5.8314557 -3.67852479 -10.48252043 0.94935616 -1.4168197 0.65272154 -7.00196789 -5.97522023 -5.40892254 -3.44005904 -4.9885544 -14.95740684 -22.22711556 -31.36656342 -38.90215633 1.1679999999E-9 2.612E-9 5.8409999999E-9 1.3059999999E-8 2.9209999999E-8 6.531E-8 1.4599999999E-7 3.265E-7 7.3019999999E-7 0.0000016329999999 0.0000036509999999 0.000008164 0.00001825 0.00004082 0.00009127 64-86-8 6167 144208745 A A Colchicine CC(=O)N[C@H]2CCc3cc(OC)c(OC)c(OC)c3C1=CC=C(OC)C(=O)C=C12 Tox21_201547 -NCGC00259971-01 196705763 tox21-ror-cho-viability-p1 set1 4 -1.25500121 -5.41488063 2.13250655 -0.92187354 -0.35067838 1.82945072 -0.18988239 -4.87261582 4.79399191 16.29059076 -1.84592953 -2.07575631 2.12738393 -3.05595612 1.75942888 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.794E-8 1.519E-7 3.397E-7 7.596E-7 0.0000016979999999 0.000003798 0.000008492 0.000018989999999 0.00004246 0.00009494 98-86-2 7410 144209620 A A Acetophenone CC(=O)c1ccccc1 Tox21_202422 -NCGC00259325-01 196706167 tox21-ror-cho-viability-p1 set1 4 0.0544826733 -3.8711612 5 1.1288388 4.9549173134 0.4342531556 0.2424630688 1.19202646 2.90283293 4.5257925 7.31419983 10.02500449 0.43112824 0.28478319 0.09012671 4.62206556 0.24795714 0.31060041 1.7680843 1.51767911 0.35783942 -0.309301 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 3709-43-1 19458 144208974 A A Disodium 4,4'-dinitro-2,2'-stilbenedisulfonate [Na+].[Na+].O=S([O-])(=O)c2cc(ccc2C=Cc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)[N+]([O-])=O Tox21_201776 -NCGC00254019-01 196719760 tox21-ror-cho-viability-p1 set3 4 48.5577336745 17.1352348879 -7.1352348879 10 2.2481167061 0.7141623985 0.0323182315 -11.36269574 -9.23589681 -8.44050401 -4.19439642 -10.37616664 -9.23094379 -3.00409429 -9.31855274 -3.2134245 -6.55858118 -5.5632575 -6.08225914 -5.80483708 0.11945287 6.84763116 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-95-2 996 144210362 A A Phenol Oc1ccccc1 Tox21_300042 -NCGC00066947-05 196719763 tox21-ror-cho-viability-p1 set3 4 -3.84245528 -0.27916064 11.29518515 -0.60847702 9.84385614 8.15089106 0.88432665 4.55973128 0.15020142 -0.54422289 -2.04312707 1.47280182 4.48505196 3.2105431 3.60943593 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00256916-01 196719358 tox21-ror-cho-viability-p1 set2 4 0.44376922 1.82654686 -0.09657545 3.98957 4.96948962 0.16461071 2.80088582 3.75999367 2.70576473 0.61654487 3.94272963 2.26090954 0.34275684 2.14010078 3.50518727 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2219-82-1 16678 144212879 A A 2-tert-Butyl-6-methylphenol CC(C)(C)c1cccc(C)c1O Tox21_302562 -NCGC00091146-04 196719359 tox21-ror-cho-viability-p1 set2 4 61.130564862 -15.3527727279 2.5 -12.8527727279 4.5044702849 0.606203963 0.0931456676 -0.85527969 2.77673921 0.27098658 1.71537654 1.01949165 6.36646586 -0.01778444 4.60485596 1.48410565 4.53150894 9.45116387 -0.14200032 1.16720157 0.26743869 -10.71064394 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00255068-01 196720183 tox21-ror-cho-viability-p1 set3 4 0.0061130565 -16.945640284 17 0.054359716 0.3 0.3967813561 0.2754851333 14.07957526 5.68360812 12.59297829 4.48393351 5.52254673 2.47108902 2.67683062 12.07821044 1.7298268 6.20387159 -4.53803357 5.694146 2.89877083 -3.5304622 2.32839802 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17804-35-2 28780 144211487 Fc Fns Benomyl O=C(OC)Nc2nc1ccccc1n2C(=O)NCCCC Tox21_301170 -NCGC00254322-01 196720184 tox21-ror-cho-viability-p1 set3 4 0.216899429 18.159646104 -14.159646104 4 0.3 0.7631110934 0.0159402199 -10.84805268 -15.13303842 -4.35123091 -5.4286227 -10.2835917 -6.88351523 -5.15798927 -6.02148054 -3.60252245 -1.5842354 -0.87471155 -2.01397564 -0.25099943 0.14175574 2.92578929 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-72-1 8209 144210856 A A 1-Tetradecanol CCCCCCCCCCCCCCO Tox21_300538 -NCGC00254955-01 196720186 tox21-ror-cho-viability-p1 set3 4 2.70347711 1.8852679 2.5069014 -2.60424399 -9.86365764 0.31012587 1.5910077 -2.11045606 -1.13316658 0.53308093 -3.20858234 -0.15104507 3.28339526 2.13489158 -0.58673492 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10595-06-9 66357 144211370 Z Z Ethylene glycol phenyl ether methacrylate C=C(C)C(=O)OCCOc1ccccc1 Tox21_301053 -NCGC00254666-01 196720187 tox21-ror-cho-viability-p1 set3 4 2.4336516212 18.278596116 -11.278596116 7 0.2 0.4804101265 0.1970312911 -9.50976292 -1.63247508 -9.33605233 -12.73216343 -3.29877818 -6.63835016 -6.13734886 -1.98169287 -0.23516622 -0.41866001 -3.27601587 -3.13260208 -1.73791914 -2.65393163 5.73882329 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2008-41-5 16181 144211079 A A Butylate CC(C)CN(CC(C)C)C(=O)SCC Tox21_300762 -NCGC00254072-01 196720194 tox21-ror-cho-viability-p1 set3 4 0.0096885416 -4.5704724279 3 -1.5704724279 4.9549173134 0.4680840326 0.2291211649 1.32812159 1.28921707 7.03656767 -4.22539369 -0.70672086 -0.00278089 0.37437845 -0.20923553 -1.07710795 -1.39047617 -2.1284463 -1.45858807 -1.5175043 -2.77299372 1.78753888 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 532-32-1 517055 144210445 A A Sodium benzoate [Na+].[O-]C(=O)c1ccccc1 Tox21_300125 -NCGC00254319-01 196720195 tox21-ror-cho-viability-p1 set3 1.4 0.0043277126 19.94275844 -21.44275844 -1.5 0.9999999999 0.8679592197 0.0012559243 -15.79849637 -17.4522987 -5.94911624 -6.98043776 -4.98133628 -5.53477728 0.26017661 -1.72768551 0.56633804 -2.2174971 -1.74891122 -2.63239133 -0.74999212 -2.62101164 -0.42506914 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-20-2 11813 144210797 A A 2,6-Dinitrotoluene Cc1c(cccc1[N+](=O)[O-])[N+]([O-])=O Tox21_300479 -NCGC00254393-01 196720598 tox21-ror-cho-viability-p1 set3 4 0.0054482673 -8.241853228 8 -0.241853228 4.9549173134 0.4370268498 0.2377737457 3.77989795 12.14399745 2.52792045 -3.30733036 6.09224308 1.92823387 -3.13730844 -3.53487769 -0.93145943 5.05571744 -0.48341836 -0.47300856 -1.09582724 -1.9217471 0.50405954 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 528-29-0 10707 144210736 A A 1,2-Dinitrobenzene O=[N+]([O-])c1ccccc1[N+]([O-])=O Tox21_300418 -NCGC00254335-01 196720599 tox21-ror-cho-viability-p1 set3 4 -14.0700126 -15.47232049 -14.02405495 -2.18389068 -14.56067755 -13.35647604 -10.07441992 -7.47317578 -10.71186402 -13.47324813 -12.59814468 -17.17566595 -17.58823205 -15.98553443 -19.70246874 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 117428-22-5 11285653 144210942 A A Picoxystrobin O=C(OC)\C(=C\OC)c2ccccc2COc1cccc(n1)C(F)(F)F Tox21_300625 -NCGC00090986-03 196704281 tox21-ror-cho-viability-p1 set1 4 48.854168593 -20.00067574 1 -19.00067574 2.7202212143 0.9554100475 0.0000045486 1.32798164 1.88559229 0.88065671 1.64969769 -0.07192132 3.00925344 1.23437186 -0.08449892 1.36291152 -0.26714531 2.69253482 -0.49248827 0.06386736 -7.16043402 -15.83389645 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00260404-01 196703860 tox21-ror-cho-viability-p1 set1 4 -0.28916612 0.67628257 3.45611679 4.7788069 -0.10740492 0.57201471 -8.31935024 6.8642758 0.74996933 3.94602523 -3.95322352 -5.11203313 3.37598863 -1.85147246 7.27044332 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.000041429999999 0.000092629999999 621-59-0 12127 144210056 A A 3-Hydroxy-4-methoxy-benzaldehyde Oc1cc(ccc1OC)C=O Tox21_202858 -NCGC00094532-06 196703865 tox21-ror-cho-viability-p1 set1 4 13.9223638815 -12.0154576119 -0.5 -12.5154576119 2.7202212143 0.4491414359 0.2426531122 -0.55791278 -1.42458162 0.38917119 -0.00599722 -0.22238723 0.74565194 -0.39787348 -12.30392578 -0.23869801 0.14205272 3.77554176 0.53547358 -12.92954801 -9.82401057 1.28255509 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00183850-01 196704278 tox21-ror-cho-viability-p1 set1 4 -1.46218941 -0.55849494 -4.83392243 -0.19278402 0.42534191 -0.66459156 -4.07673285 -0.51099937 0.3412725 0.73229976 -0.86736955 -1.02074388 -0.82019836 3.91013572 4.22605404 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_48792 10133071 144206820 I I {4-[4-(Acetylamino)-2-oxopyrimidin-1(2H)-yl]-1,3-dioxolan-2-yl}methyl benzoate O=C(OCC1OCC(O1)N2C=CC(NC(C)=O)=NC2=O)c3ccccc3 Tox21_113269 -NCGC00015086-04 196704681 tox21-ror-cho-viability-p1 set1 4 -0.82023048 -1.63914105 4.56673814 0.65478181 0.1181131 -1.78762969 -2.24271371 0.15615614 -1.10649779 0.44807632 -4.75404369 -2.07991323 -2.73623793 2.83501019 3.21785394 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 616-91-1 12035 170464792 D Acetylcysteine CC(=O)N[C@@H](CS)C(O)=O Tox21_110877_1 -NCGC00253730-01 196704699 tox21-ror-cho-viability-p1 set1 4 6.35711747 2.83560152 2.52077921 3.82613145 1.80068205 7.32039842 -1.80120609 3.88405717 -2.07348935 1.81646954 6.26368805 -0.07787574 5.01557242 4.80589891 1.04644287 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1075-89-4 136843 170466699 A A 3,3-Tetramethyleneglutarimide O=C2CC1(CCCC1)CC(=O)N2 Tox21_113849 -NCGC00024357-07 196705092 tox21-ror-cho-viability-p1 set1 4 4.58200231 0.25629067 0.16488681 0.17071909 1.01624498 0.00332917 4.69892746 4.15339843 0.53089686 0.05392922 7.15933724 6.17149183 5.79328073 6.35569423 5.92645343 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 114-49-8 6603108 170464830 A Scopolamine hydrobromide Br.OC[C@H](c1ccccc1)C(=O)O[C@H]2C[C@@H]3N(C)[C@H](C2)[C@H]4O[C@@H]34 Tox21_110035_1 -NCGC00159451-06 196705097 tox21-ror-cho-viability-p1 set1 4 -6.55665727 -0.44769717 -0.52141317 -2.78804004 -5.17602847 -5.74333114 -8.60635876 1.56469946 -2.77687133 -0.0452609 -0.23122296 0.52438015 -4.36159552 -0.00361427 -0.09846639 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 24237-54-5 5480 170465864 C Tinoridine O=C(OCC)c1c2CCN(Cc2sc1N)Cc3ccccc3 Tox21_111678_1 -NCGC00181040-02 196705100 tox21-ror-cho-viability-p1 set1 4 26.6032120037 9.221982392 -2.221982392 7 1.4780888099 0.3667727229 0.3075437139 0.32725399 0.19924787 -2.89193309 -4.94123645 -3.9553244 -0.33368195 -2.7986719 -3.13703955 -6.01831866 3.19811909 -4.81232036 -0.99550553 0.12450584 0.3473054 4.52274286 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3238-60-6 9985 170465693 Z dl-Coniine CCCC1CCCCN1 Tox21_112688_1 -NCGC00095157-05 196705514 tox21-ror-cho-viability-p1 set1 -2.2 13.3331902297 -47.0943410137 -1.0010111369 -48.0953521506 1.55794881 0.9674054606 7.772E-7 -0.35637647 -0.37476637 2.85780534 -2.15343131 1.94639305 0.93058617 -1.88255465 -2.81281051 0.07936548 -2.71180359 -6.42756793 -9.95679788 -15.72200543 -30.17421305 -47.15230603 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53716-50-0 40854 170466223 F Oxfendazole O=C(OC)Nc1nc2cc(ccc2n1)S(=O)c3ccccc3 Tox21_113444_1 -NCGC00091666-04 196705516 tox21-ror-cho-viability-p1 set1 4 0.92940211 0.44068276 -1.2529683 3.40917116 0.00414641 4.16785182 1.26191724 1.93368478 0.46737758 2.92329999 -6.43236173 2.05600789 2.84684744 2.85369604 0.33753527 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 470-82-6 2758 170465483 F 1,8-Cineol CC2(C)OC1(C)CCC2CC1 Tox21_111161_1 -NCGC00255840-01 196701376 tox21-ror-cho-viability-p1 set1 4 2.95411043 -0.63218976 2.09727229 1.20874266 3.72983073 -1.95099607 2.90635998 2.97915222 0.14423127 -1.39028564 2.27324919 1.47152243 2.79857428 -0.65594416 2.46933775 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26402-26-6 3033877 144211852 A A Glyceryl monooctanoate OCC(O)COC(=O)CCCCCCC Tox21_301535 -NCGC00256165-01 196700969 tox21-ror-cho-viability-p1 set1 4 0.59858962 2.94892272 0.2326975 2.71699878 4.73349034 -1.23824669 1.94541679 -0.50536759 -0.0980763 3.64969957 0.90080308 -1.14487805 0.99289551 0.56007432 0.84284821 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57116-45-7 92667 144212567 F Fns 3-{[3-(Aziridin-1-yl)propanoyl]oxy}-2-({[3-(aziridin-1-yl)propanoyl]oxy}methyl)-2-(hydroxymethyl)propyl 3-(aziridin-1-yl)propanoate OCC(COC(=O)CCN1CC1)(COC(=O)CCN2CC2)COC(=O)CCN3CC3 Tox21_302250 -NCGC00018275-05 196713824 tox21-ror-cho-viability-p1 set2 4 -1.17027135 -1.00678508 -0.76991452 -3.89961243 1.82473002 -4.64373786 -1.57437732 -1.70242683 -5.03137047 0.23115178 0.12596794 -0.0776501 1.40406701 -0.54120329 2.52835118 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16773-42-5 28061 170466243 A Ornidazole Cc1ncc([N+]([O-])=O)n1CC(O)CCl Tox21_110582_1 -NCGC00025122-02 196713817 tox21-ror-cho-viability-p1 set2 4 0.0009439176 9.561268568 -8.061268568 1.5 3.2974983358 0.5577466795 0.1320391874 -6.30105714 -0.53029603 -0.69332021 1.98947986 1.34793962 -0.53812737 2.18454555 1.27199119 -0.99310886 0.84856864 1.42354476 0.42657827 2.32460944 2.35290881 6.87521349 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77257-42-2 6433339 170466614 A Stilonium iodide [I-].CC[N+](CCOc1ccc(cc1)/C=C/c2ccccc2)(CC)CC Tox21_111247_1 -NCGC00254833-01 196714226 tox21-ror-cho-viability-p1 set2 4 -7.28499836 -2.90533936 -0.68368078 -11.41167163 -9.07450758 -11.08875361 -3.57498359 -5.68404312 -6.8562812 -5.63863734 -2.94189246 -6.04544785 -5.4681847 -4.43486288 -2.16402601 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6485-40-1 439570 144211248 A R-(-)-Carvone CC1=CC[C@H](CC1=O)C(C)=C Tox21_300931 -NCGC00254672-01 196714233 tox21-ror-cho-viability-p1 set2 4 -0.87912525 3.70048508 0.28490943 -0.5449724 -1.15559102 0.99554034 0.04337871 2.28508353 4.34413179 5.25759096 -1.35521153 0.37295512 -0.08477636 3.09784174 2.34169562 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 618-88-2 12069 144211085 A A 5-Nitroisophthalic acid O=[N+]([O-])c1cc(cc(c1)C(=O)O)C(=O)O Tox21_300768 -NCGC00254652-01 196714655 tox21-ror-cho-viability-p1 set2 4 1.49124119 0.04004258 0.50260915 0.8178084 -0.37477752 1.25832577 -5.98670088 0.44199439 2.63496769 -0.52027839 0.89057353 3.00987966 4.09197117 0.80947787 0.54725676 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-74-6 7204 144211063 A A MCPA Clc1cc(C)c(OCC(=O)O)cc1 Tox21_300746 -NCGC00094521-05 196715066 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -22.859249884 -2 -24.859249884 3.9294729863 0.8405188337 0.0030057363 -1.45118594 0.1570498 -2.87470591 -5.22961791 0.04810707 -2.77838295 -1.22358232 -2.33681691 -5.50906929 -3.4429201 -0.028809 -0.03772682 -4.85823076 -3.8236956 -19.46604157 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00091163-03 196715071 tox21-ror-cho-viability-p1 set2 4 -1.74597699 -1.62853977 0.26966342 -1.02000032 -0.01666861 1.32076228 -2.87502534 1.14596628 -1.9103776 -2.6537404 -5.501796 -4.8506919 -7.80935802 -4.51758891 2.07719927 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00257642-01 196715472 tox21-ror-cho-viability-p1 set2 4 4.47522318 3.63240831 0.80558221 0.33661649 0.65908091 0.33809206 0.1105927 -2.53005599 -0.91971797 0.24711021 3.7857781 5.64492579 3.06703859 4.50103051 3.48187403 1.203E-9 2.6889999999E-9 6.013E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.361E-7 7.516E-7 0.0000016809999999 0.000003758 0.000008403 0.000018789999999 0.00004202 0.00009395 4635-87-4 20750 144207286 AC Ac 3-Pentenenitrile CC=CCC#N Tox21_200088 -NCGC00258260-01 196715473 tox21-ror-cho-viability-p1 set2 4 -1.32573166 -3.92031198 0.158975 -4.30871471 1.60342973 -2.89693273 1.16197629 0.84949147 -3.49101924 -0.8485179 1.40817203 -0.75290842 1.12878768 1.79482722 4.55549861 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.00001889 0.00004225 0.00009447 591-27-5 11568 144207904 A A 3-Aminophenol Nc1cccc(O)c1 Tox21_200706 -NCGC00257917-01 196715490 tox21-ror-cho-viability-p1 set2 4 -2.45888668 -1.77423635 -4.04362384 -0.51680339 -1.84698178 1.00550074 -2.44099176 1.50801738 -1.68772409 -1.27932719 -1.30941568 -0.40993638 -0.63583515 1.29061722 0.72276746 1.157E-9 2.5879999999E-9 5.786E-9 1.2939999999E-8 2.8929999999E-8 6.4689999999E-8 1.446E-7 3.234E-7 7.2319999999E-7 0.000001617 0.0000036159999999 0.000008086 0.000018079999999 0.00004043 0.00009041 78-94-4 6570 144207561 FNS Methyl vinyl ketone C=CC(C)=O Tox21_200363 -NCGC00257849-01 196729637 tox21-ror-cho-viability-p1 set3 4 0.0015527235 11.5439294439 -11.0439294439 0.5 4.9549173134 0.6100261511 0.0915378658 -8.78660787 1.31152294 -0.5264861 1.39479344 0.89752703 -0.06044008 -0.45106837 -0.1101685 -2.95897407 -2.12134803 0.19963801 0.43863737 3.03196184 1.56389597 4.83680399 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.33E-7 7.445E-7 0.000001665 0.0000037229999999 0.000008324 0.00001861 0.00004162 0.00009306 15121-84-3 27054 144207493 A A 2-(2-Nitrophenyl)ethanol O=[N+]([O-])c1ccccc1CCO Tox21_200295 -NCGC00091011-05 196729216 tox21-ror-cho-viability-p1 set3 1.1 30.6378586933 73.9456584965 3.4200862139 77.3657447104 3.1319983358 0.9746183696 1.871E-7 1.47377265 -0.23892419 -0.74889258 6.36071994 6.99866932 0.83472753 -0.48845103 1.20277695 5.77589369 9.80328772 8.04587379 6.75356196 13.4907049 58.40144316 81.06353432 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00257582-01 196729218 tox21-ror-cho-viability-p1 set3 4 0.0401450309 -15.29821572 -2 -17.29821572 1.4641 0.3201834367 0.3627059928 -0.69004967 -1.96792644 -5.60978171 -5.67183771 -2.71652435 -21.52384387 -3.18142726 -24.06330546 -27.03633655 -24.92609409 -27.7485131 -19.86511051 -3.13807311 0.68506045 0.80670751 1.22E-9 2.7279999999E-9 6.099E-9 1.3639999999E-8 3.049E-8 6.819E-8 1.525E-7 3.409E-7 7.6239999999E-7 0.000001705 0.0000038119999999 0.000008523 0.000019059999999 0.000042619999999 0.00009529 77-99-6 6510 144207226 A A 2-Ethyl-2-(hydroxymethyl)-1,3-propanediol CCC(CO)(CO)CO Tox21_200028 -NCGC00257502-01 196707410 tox21-ror-cho-viability-p1 set1 4 43.2771256911 8.25242364 0.74757636 9 0.6 0.3925974998 0.2838590699 1.01513246 3.38872827 1.7457475 1.49199095 -4.3770197 -1.34436177 3.74315225 2.85663178 -1.46427619 2.78381584 2.59054967 3.27394185 3.3809679 4.42668376 6.28417522 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-51-4 2345 144213729 A A Benzyl benzoate O=C(OCc1ccccc1)c2ccccc2 Tox21_303418 -NCGC00257323-01 196706994 tox21-ror-cho-viability-p1 set1 4 48.5577336745 18.8400036479 -14.8400036479 4 1.2221 0.5828532983 0.1099750771 -14.75283536 -12.31545097 -20.23497504 -11.48540431 -14.89519115 -13.87254275 -11.94427815 -13.18432656 -17.98926198 -20.70000304 -12.75727438 -9.51686931 -9.25232848 -11.23344928 0.64465955 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 118-82-1 8372 144213871 A Ac 4,4'-Methylenebis(2,6-di-t-butylphenol) CC(C)(C)c1cc(cc(c1O)C(C)(C)C)Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C Tox21_303566 -NCGC00090780-04 196707000 tox21-ror-cho-viability-p1 set1 4 -1.84782969 3.6887252 2.98206605 3.89223474 1.93319136 4.63182455 -0.64926186 3.38940442 4.65435426 4.39394041 2.13861583 4.50806721 4.50123881 1.97173208 2.87022899 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00256401-01 196707407 tox21-ror-cho-viability-p1 set1 4 0.0015355304 -20.3392267479 1.659045808 -18.6801809399 0.8999999999 0.5613296657 0.1423535006 -4.45079516 -17.00257586 -12.92978619 -9.90485415 -18.51193157 -21.49921485 -19.21855293 -20.22396409 -17.63845752 -21.81681745 -19.82064216 -16.82019277 -19.45715842 -14.74056643 -13.19868951 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 72-56-0 6295 144213200 A A p,p'-Ethyl-DDD ClC(Cl)C(c1ccc(CC)cc1)c2ccc(cc2)CC Tox21_302883 -NCGC00164168-02 196707414 tox21-ror-cho-viability-p1 set1 4 -0.2796106 1.86664984 1.63032899 5.39483755 0 5.98961096 6.10590089 4.90933462 -1.82553146 8.76798871 -1.58239086 7.29471417 8.18202659 -5.17439645 0.12649507 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.000096319999999 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00257367-01 196707420 tox21-ror-cho-viability-p1 set1 4 19.3311819617 -8.3668388679 6 -2.3668388679 4.9549173134 0.4330664052 0.241306901 6.35199503 5.09494974 5.47161912 0.64661072 1.75574049 10.73650132 9.31250694 8.67655935 7.71184359 1.90192707 1.36161733 10.52452228 2.70104115 -4.88903239 -0.44066235 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 486-66-8 5281708 144213952 A A Daidzein Oc1ccc(cc1)C3=COc2cc(O)ccc2C3=O Tox21_303650 -NCGC00256620-01 196707837 tox21-ror-cho-viability-p1 set1 4 -0.80057265 0.87229226 -1.12103782 -1.30277211 -2.96245044 0.11921567 0.34472612 1.30128641 -1.54899467 0.65330097 0.13697955 -0.0556018 -2.5924346 1.10547446 4.40257047 5.113E-10 1.1429999999E-9 2.556E-9 5.716E-9 1.278E-8 2.858E-8 6.391E-8 1.429E-7 3.1949999999E-7 7.145E-7 0.000001598 0.000003572 0.000007988 0.00001786 0.000039939999999 33032-12-1 6436730 144213936 A A Methapyrilene fumarate O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.CN(C)CCN(Cc1cccs1)c2ccccn2.CN(C)CCN(Cc1cccs1)c2ccccn2 Tox21_303631 -NCGC00259627-01 196705788 tox21-ror-cho-viability-p1 set1 4 7.7448226 -13.11732725 7.25984934 2.6436412 3.62775156 0.68775937 -0.55374883 0.27332377 -3.91624319 10.07710383 1.05768641 2.6196517 2.57167472 0.02951286 0.31504605 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.00009231 562-10-7 11224 144209276 A A Doxylamine succinate O=C(O)CCC(=O)O.CN(C)CCOC(C)(c1ccccn1)c2ccccc2 Tox21_202078 -NCGC00160662-02 196705377 tox21-ror-cho-viability-p1 set1 4 -5.42215854 -2.51596768 -0.9985237 -1.24319123 -1.66598188 0.43173993 -3.32693243 -3.12943015 -1.73325146 -4.09794368 -3.85223915 -0.69978604 -2.57409843 -0.05351114 -0.45297709 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 177036-94-1 6918493 170465143 A Ambrisentan O=C(O)[C@@H](Oc1nc(C)cc(C)n1)C(OC)(c2ccccc2)c3ccccc3 Tox21_111967_1 -NCGC00163735-04 196705783 tox21-ror-cho-viability-p1 set1 4 7.30612598 8.30922221 -8.56943765 1.78237 1.78281749 0.72630954 0.94149552 0.52832182 4.75911381 7.35998811 -0.16429014 -7.27630337 1.65690309 1.21100944 0.02698166 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00259032-01 196705786 tox21-ror-cho-viability-p1 set1 4 2.47866917 0.28659149 -3.6179433 -1.50159282 -1.57732907 -3.12774442 -4.36487945 -0.85977914 0.30481648 15.11724474 2.15621691 -2.27682861 -1.30841602 -2.13947499 1.52225884 1.229E-9 2.749E-9 6.146E-9 1.374E-8 3.073E-8 6.872E-8 1.537E-7 3.436E-7 7.6829999999E-7 0.000001718 0.000003841 0.000008589 0.00001921 0.00004295 0.00009603 108-93-0 7966 144208679 A Cyclohexanol OC1CCCCC1 Tox21_201481 -NCGC00259424-01 196706201 tox21-ror-cho-viability-p1 set1 4 0.0248075011 8.1900016359 -8.1900016359 0 4.9549173134 0.4370776407 0.2368487813 -9.92700058 0.07032291 -6.23350033 -18.49166803 0.60310214 -6.19064396 -0.10408686 1.13240396 -0.38579895 -1.37530674 0.05301428 -0.97747294 2.38161231 1.14814341 1.20773567 1.1989999999E-9 2.68E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.701E-8 1.4979999999E-7 3.351E-7 7.492E-7 0.000001675 0.000003746 0.0000083759999999 0.00001873 0.00004188 0.00009365 2164-17-2 16562 144209073 A A Fluometuron O=C(Nc1cc(ccc1)C(F)(F)F)N(C)C Tox21_201875 -NCGC00259388-01 196721415 tox21-ror-cho-viability-p1 set3 4 34.5511112954 8.37337546 -4.37337546 4 4.9549173134 0.5733932779 0.1186264576 -4.02847397 -4.17958332 -6.378122 -4.84908409 -4.94617907 -0.09927576 -5.36126377 -5.75610074 -2.48913929 0.24221498 -5.71817372 -7.39447955 -4.06498172 1.35579509 3.72912624 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.962E-8 6.622E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 50594-66-6 44073 144209037 A Z Acifluorfen Clc2cc(ccc2Oc1cc(C(=O)O)c(cc1)[N+]([O-])=O)C(F)(F)F Tox21_201839 -NCGC00259658-01 196721403 tox21-ror-cho-viability-p1 set3 4 -5.50219136 -7.82917453 -4.72092983 -7.15420424 -0.61756438 -7.01507143 -5.45293439 -4.09780899 -5.13455731 -1.77652965 -5.02559092 -7.83764967 -2.58788401 -7.04059881 -9.05936124 1.1699999999E-9 2.617E-9 5.852E-9 1.3079999999E-8 2.926E-8 6.542E-8 1.463E-7 3.271E-7 7.315E-7 0.0000016359999999 0.000003657 0.000008178 0.00001829 0.000040889999999 0.00009143 118-56-9 8362 144209307 A F 3,3,5-Trimethylcyclohexyl salicylate O=C(OC1CC(C)CC(C)(C)C1)c2ccccc2O Tox21_202109 -NCGC00259611-01 196721406 tox21-ror-cho-viability-p1 set3 4 -6.57251779 -4.04413667 -4.02020543 4.64843235 -7.2149442 -8.05902674 -6.44361046 -5.76289333 -8.68103613 -4.47664897 -6.81759816 -7.31004466 -6.10035812 1.60786409 -2.98176414 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.952E-8 6.6E-8 1.476E-7 3.3E-7 7.379E-7 0.0000016499999999 0.0000036889999999 0.0000082499999999 0.000018449999999 0.00004125 0.000092239999999 102-71-6 7618 144209260 AC Fns Triethanolamine OCCN(CCO)CCO Tox21_202062 -NCGC00259468-01 196721408 tox21-ror-cho-viability-p1 set3 4 31.0121236216 12.3302545839 -10.3302545839 2 4.0949729863 0.5443811361 0.1404950246 -16.94187882 -10.30829802 -10.46631376 -8.13769262 -16.44737449 -5.84802671 -10.06388146 -9.96150156 -8.81491796 -7.08870054 -4.01462402 -14.72837677 -7.94184259 -1.44684495 3.04915067 1.1919999999E-9 2.6649999999E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.662E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004164 0.000093099999999 2216-51-5 16666 144209117 A A (1R,2S,5R)-(-)-Menthol CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O Tox21_201919 -NCGC00258992-01 196721418 tox21-ror-cho-viability-p1 set3 4 35.0064589032 12.4629830439 -3.4629830439 9 4.9549173134 0.8755447921 0.0009549737 -5.5735828 -2.54606818 -1.33970137 -4.87999625 -4.21057736 -2.18116752 -4.2179999 -3.62558026 -2.09433844 -1.54758379 -2.97356344 -4.39612245 -5.80248587 6.91748422 8.99218101 1.198E-9 2.679E-9 5.9899999999E-9 1.339E-8 2.995E-8 6.697E-8 1.4979999999E-7 3.3489999999E-7 7.488E-7 0.0000016739999999 0.000003744 0.0000083719999999 0.000018719999999 0.000041859999999 0.000093599999999 2244-16-8 16724 144208639 A A d-Carvone CC1=CC[C@@H](CC1=O)C(C)=C Tox21_201441 -NCGC00259254-01 196721808 tox21-ror-cho-viability-p1 set3 4 -6.63953097 -0.67918313 2.06115119 -4.7285689 -5.94536919 -5.9608412 -7.38645406 -5.04389745 -5.75688765 -4.92834622 -4.89670453 -7.04962919 -4.95779304 -1.53926895 -19.64116204 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.961E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.000003701 0.000008275 0.0000185 0.00004137 0.000092519999999 379-79-3 9787 144208903 D Ergotamine D-tartrate O=C(O)[C@H](O)[C@@H](O)C(=O)O.CN2C[C@@H](C=C1c3cccc4ncc(C[C@H]12)c34)C(=O)N[C@]5(C)O[C@]8(O)N(C5=O)[C@@H](Cc6ccccc6)C(=O)N7CCC[C@H]78.CN2C[C@@H](C=C1c3cccc4ncc(C[C@H]12)c34)C(=O)N[C@]8(C)O[C@]7(O)N([C@@H](Cc5ccccc5)C(=O)N6CCC[C@H]67)C8=O Tox21_201705 -NCGC00256865-01 196718933 tox21-ror-cho-viability-p1 set2 4 0.70016326 0.26348503 1.32283365 2.18279552 3.96140782 1.73709853 2.6947803 6.07612071 1.35068236 1.45619362 7.15723657 4.66862713 1.93074254 0.77213529 0.9052869 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17526-94-2 87146 144212990 F F 3,3'-(4-Methylbenzene-1,3-diyl)bis(1,1-dimethylurea) O=C(Nc1cc(ccc1C)NC(=O)N(C)C)N(C)C Tox21_302673 -NCGC00256315-01 196718533 tox21-ror-cho-viability-p1 set2 4 0.43156016 1.7054245 0.98757527 4.12625381 1.17138006 4.33302218 1.0087945 6.33334628 5.67553199 1.51583102 7.91765655 -1.52946225 0.09919276 -0.23957389 0.97051416 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2244-16-8 16724 144213060 A F d-Carvone CC1=CC[C@@H](CC1=O)C(C)=C Tox21_302743 -NCGC00256524-01 196718926 tox21-ror-cho-viability-p1 set2 4 0.41181967 0.63096548 1.70188359 2.44375475 -0.22128637 3.77939506 0.37913847 5.3872555 4.11458548 2.00394467 1.55200319 0.57742034 1.32137163 0.52309976 -2.08018343 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2227-13-6 16685 144213301 A A Tetrasul Clc2cc(Sc1ccc(Cl)cc1)c(Cl)cc2Cl Tox21_302984 -NCGC00256868-01 196718930 tox21-ror-cho-viability-p1 set2 4 -0.35032135 -0.90115379 1.13196653 -2.68899106 -2.31937645 0.17059967 0.05085772 0.1375071 -2.94759635 1.5479338 -2.68561258 -0.82777648 0.15921622 1.66124451 -1.0668221 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-80-8 8137 144212763 A F Methyl 2-nonynoate O=C(C#CCCCCCC)OC Tox21_302446 -NCGC00256995-01 196719374 tox21-ror-cho-viability-p1 set2 4 0.25217686 0.33477182 -2.05471969 -3.14836029 -1.75059081 0.86071108 -2.87465167 -3.60023086 -3.10044613 -7.79181409 -2.35119235 -1.63318274 -1.70949921 -2.38031283 1.91696144 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-32-7 7924 144213531 A Propylene carbonate O=C1OCC(C)O1 Tox21_303214 -NCGC00257491-01 196719376 tox21-ror-cho-viability-p1 set2 4 48.5577336745 -18.561761892 1 -17.561761892 2.4063783767 0.9187788925 0.0001136384 -0.30334738 0.37450695 0.37601971 1.65619954 2.0651848 2.94898269 0.13674156 0.39358138 0.09544127 -0.17690423 4.30023235 0.32556482 -0.46897729 -6.71146502 -14.21813491 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2321-07-5 16850 144213816 A A Fluorescein Oc4cc5Oc1cc(O)ccc1C3(OC(=O)c2ccccc23)c5cc4 Tox21_303508 -NCGC00259417-01 196706759 tox21-ror-cho-viability-p1 set1 -2.2 60.8819825247 -60.9917797862 -3.540508245 -64.5322880312 3.5117481694 0.942881527 0.0000173497 -0.81235571 2.35031879 -10.28091267 -7.12068859 -0.03959935 -1.83994187 -4.5604133 -7.57257037 -2.22826109 -2.45447577 -1.42740199 -4.53659202 -4.4623636 -14.89084758 -53.05476366 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.315E-8 2.9389999999E-8 6.573E-8 1.4699999999E-7 3.2859999999E-7 7.3489999999E-7 0.000001643 0.000003674 0.0000082159999999 0.00001837 0.00004108 0.000091859999999 434-13-9 9903 144209066 A A Lithocholic acid O=C(O)CC[C@@H](C)[C@H]4CC[C@@H]3[C@]4(C)CC[C@H]1[C@H]3CC[C@@H]2C[C@H](O)CC[C@]12C Tox21_201868 -NCGC00259353-01 196706346 tox21-ror-cho-viability-p1 set1 4 -6.48609221 0.11779726 5.73845375 0.01944099 -0.97074555 -3.14143774 -0.17012453 -0.21851177 -3.22385587 6.92590302 -4.38918416 0.79332194 -3.32207339 0.82952357 -4.78696202 1.191E-9 2.663E-9 5.955E-9 1.332E-8 2.978E-8 6.6579999999E-8 1.489E-7 3.3289999999E-7 7.4439999999E-7 0.000001665 0.0000037219999999 0.000008323 0.00001861 0.000041609999999 0.00009305 14371-10-9 637511 144209002 A A (2E)-3-Phenylprop-2-enal O=C\C=C\c1ccccc1 Tox21_201804 -NCGC00259460-01 196706364 tox21-ror-cho-viability-p1 set1 -2.2 68.8687250228 -65.5377999355 -5.605544246 -71.1433441815 3.9294729863 0.8577156035 0.001764454 -8.14394071 -6.50980685 -8.0515868 -12.68882757 -3.89075868 -5.83363747 -4.49069377 -9.76461416 -4.91907454 -10.53725024 -15.18329129 -14.92552124 0.64381808 -14.95140214 -55.41162438 1.1839999999E-9 2.648E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.619E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 76-44-8 3589 144209109 A A Heptachlor ClC2=C(Cl)C3(Cl)C1C=CC(Cl)C1C2(Cl)C3(Cl)Cl Tox21_201911 -NCGC00259962-01 196706365 tox21-ror-cho-viability-p1 set1 4 2.11991296 2.28989346 2.05269947 -2.76555623 4.59148435 2.2011708 0.4496536 -0.12946885 3.45086925 9.51230234 -2.82824871 -0.44307798 5.49316529 3.25380902 4.56849826 1.21E-9 2.7049999999E-9 6.048E-9 1.352E-8 3.024E-8 6.7619999999E-8 1.512E-7 3.381E-7 7.5599999999E-7 0.00000169 0.00000378 0.000008452 0.0000189 0.00004226 0.000094499999999 443-48-1 4173 144209611 A A Metronidazole Cc1ncc([N+]([O-])=O)n1CCO Tox21_202413 -NCGC00258248-01 196702643 tox21-ror-cho-viability-p1 set1 4 0.0030575555 -9.9799815039 2 -7.9799815039 0.9999999999 0.3204627345 0.3495718497 1.95261819 -7.74388589 -0.98216632 -4.45023573 -12.48331792 -3.16103906 -9.60669876 -5.44418174 -8.16357019 -9.64815326 -1.43427376 -10.86948036 -9.27145038 -11.22385394 -8.01911666 1.1779999999E-9 2.633E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.00000368 0.00000823 0.000018399999999 0.00004115 0.00009201 923-26-2 13539 144207892 D 2-Hydroxypropyl 2-methylacrylate CC(=C)C(=O)OCC(C)O Tox21_200694 -NCGC00164127-03 196702636 tox21-ror-cho-viability-p1 set1 -2.1 54.4826732819 -113.4456851079 3.7884201419 -109.657264966 2.5334283767 0.9930171535 1E-10 3.75712993 2.90484901 5.77364138 3.63181247 2.8580131 4.54568624 4.47357347 2.16347888 8.02305552 1.4085659 1.59677899 -1.47483795 -1.97836568 -32.83693378 -86.20854164 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00258569-01 196702637 tox21-ror-cho-viability-p1 set1 4 -2.39813031 -2.61188449 -11.57290067 -0.87885364 2.4205849 2.70639999 -2.55553877 -0.05083728 -0.78200373 -9.81815568 1.43718261 -2.61263929 1.89223136 3.85062324 -6.25226421 1.166E-9 2.606E-9 5.8279999999E-9 1.303E-8 2.9139999999E-8 6.516E-8 1.457E-7 3.2579999999E-7 7.285E-7 0.000001629 0.0000036429999999 0.0000081449999999 0.00001821 0.00004073 0.00009106 6201-87-2 22574 144208214 A A 5-Amino-3-sulfosalicylic acid Oc1c(cc(N)cc1S(O)(=O)=O)C(=O)O Tox21_201016 -NCGC00257751-01 196702639 tox21-ror-cho-viability-p1 set1 4 0.93260183 0.34621744 -0.41260525 0.0893303 1.71812982 -1.56315886 -0.38314686 5.24658707 7.98364724 5.21926025 1.71322184 2.04518913 0.78781333 -0.44498221 7.7296802 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.000008236 0.00001842 0.000041179999999 0.00009208 7758-94-3 10329304 144207395 Iron(II) chloride [Fe+2].[Cl-].[Cl-] Tox21_200197 -NCGC00356952-01 196703038 tox21-ror-cho-viability-p1 set1 4 1.44248341 -2.53741993 -1.21636078 -2.18964461 2.42242903 -1.37008706 0.63118137 3.69624146 -1.15187303 0.10825165 -2.81480398 1.68172048 3.21914206 4.35465503 3.2684967 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 136-85-6 8705 251919741 F 5-Methyl-1H-benzotriazole Cc1cc2nnnc2cc1 Tox21_303925 -NCGC00260599-01 196703045 tox21-ror-cho-viability-p1 set1 4 14.9600854925 -10.600391424 -1.5 -12.100391424 2.4063783767 0.491184948 0.2057194245 1.16618541 -1.13787698 -0.97912822 1.06172198 -0.14820789 -2.09485954 -8.56319858 -1.82955829 -1.57969679 -0.59621989 -0.46203129 -2.14375661 -3.12386706 -10.08365952 -1.48926835 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49495 144210252 M M NTP Mix2 AR1 4-EQP Tox21_203054 -NCGC00260630-01 196703054 tox21-ror-cho-viability-p1 set1 4 2.47512628 -1.8442236 -0.15235325 -17.73990456 1.2905184 3.93200818 0.54151996 0.53751857 4.21560275 3.38035624 1.84620066 -1.94623971 -0.26682151 0.17744927 0.95394491 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49526 144210283 M M NTP Mix106 ER1 10-EQC Tox21_203085 -NCGC00257695-01 196703059 tox21-ror-cho-viability-p1 set1 4 38.5315576806 -12.856483196 1.5 -11.356483196 0.6 0.3326814364 0.3541579311 0.48862135 -1.91490986 3.20940727 2.48180814 6.22420667 2.08093805 -1.86951109 0.02235183 2.41580301 -5.84261663 1.5283626 -3.26099857 0.92502794 -7.79706933 2.28323805 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.9479999999E-8 6.591E-8 1.474E-7 3.296E-7 7.369E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 71-58-9 6279 144207339 A A Medroxyprogesterone acetate CC(=O)[C@@]3(OC(C)=O)CC[C@H]2[C@@H]4C[C@H](C)C1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_200141 -NCGC00015675-08 196717548 tox21-ror-cho-viability-p1 set2 4 0.50809627 0.87514726 2.56966582 5.12926183 5.30052813 5.00248537 1.03714076 2.05409783 1.54823745 1.49028454 1.39294846 1.92665326 3.78818487 1.22163607 1.52635865 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00022579-05 196716731 tox21-ror-cho-viability-p1 set2 4 1.65651321 1.70990451 0.21264197 4.53920195 6.10467882 4.15436871 7.79096348 2.98229076 1.61662747 3.3549255 4.32810698 6.31718398 5.8345808 -0.3642929 0.50248685 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4800-94-6 20933 170465106 F Carbenicillin disodium [Na+].[Na+].O=C([O-])[C@@H]2N3C(=O)[C@@H](NC(=O)C(c1ccccc1)C([O-])=O)[C@H]3SC2(C)C Tox21_111304_1 -NCGC00095622-04 196717148 tox21-ror-cho-viability-p1 set2 2.4 13.3331902297 24.3050057919 -0.3050057919 24 1.8079476909 0.9487461014 0.0000096843 -0.34075142 -1.50134355 -0.30620252 0.23126761 1.16078598 0.51546306 -1.63455905 0.32738995 -1.92083816 0.16297327 -0.39710955 0.56396993 10.30750505 12.76850186 24.00063944 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68-94-0 790 170466739 B Hypoxanthine O=C2NC=Nc1ncnc12 Tox21_111511_1 -NCGC00164568-04 196717549 tox21-ror-cho-viability-p1 set2 4 3.46336607 1.13597478 0.21242588 4.3656578 1.60918262 6.35099844 4.13854885 4.88744322 1.35615846 1.33087126 3.65286909 4.94774435 0.94751115 1.53951474 3.19332023 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 151767-02-1 23663996 170465230 Ac Montelukast sodium [Na+].CC(C)(O)c5ccccc5CC[C@@H](SCC1(CC([O-])=O)CC1)c2cccc(c2)/C=C/c3ccc4ccc(Cl)cc4n3 Tox21_112197_1 -NCGC00257268-01 196708268 tox21-ror-cho-viability-p1 set1 4 0.0232017398 -9.0886716559 -0.5 -9.5886716559 2.3331733767 0.5437410882 0.1409876903 -3.28048575 2.62866722 -1.94476713 0.24875478 -3.02758996 -3.83747509 -7.71779511 -17.15722638 -4.80927315 -2.75011808 -14.16293047 -8.77373473 -10.41903118 -6.46549302 -11.56065839 3.947E-10 8.825E-10 1.9729999999E-9 4.413E-9 9.867E-9 2.206E-8 4.934E-8 1.1029999999E-7 2.467E-7 5.5159999999E-7 0.000001233 0.0000027579999999 0.0000061669999999 0.000013789999999 0.000030829999999 22260-51-1 31100 144213902 A I Bromocriptine mesylate CS(=O)(=O)O.Brc3nc2cccc1C4=C[C@H](CN(C)[C@@H]4Cc3c12)C(=O)N[C@@]7(O[C@]6(O)N([C@@H](CC(C)C)C(=O)N5CCC[C@H]56)C7=O)C(C)C Tox21_303597 -NCGC00259837-01 196709074 tox21-ror-cho-viability-p1 set2 -2.4 43.3211400593 -28.388129272 -1 -29.388129272 1.9673362061 0.9586502204 0.0000029685 -0.25601644 0.8688046 -1.56566947 -3.3805419 -1.86321186 -1.27912523 0.48451862 -3.10644219 -0.73051622 -0.91187102 -1.10258213 -1.95702731 -2.7419141 -16.00370499 -24.07344106 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.00009229 131-55-5 8571 144209486 A A 2,2',4,4'-Tetrahydroxybenzophenone O=C(c1ccc(O)cc1O)c2ccc(O)cc2O Tox21_202288 -NCGC00259271-01 196709083 tox21-ror-cho-viability-p1 set2 4 2.56294729 3.19516697 2.73816338 2.77310877 -1.86257279 3.68955816 -1.570852 1.56575169 2.33270264 2.00848266 1.18959062 3.56159541 -0.79422566 2.44523555 0.52153722 1.175E-9 2.628E-9 5.877E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.346E-7 0.000001643 0.000003673 0.0000082129999999 0.000018359999999 0.00004107 0.000091819999999 140-64-7 8813 144208920 A A Pentamidine isethionate OCCS(=O)(=O)O.OCCS(=O)(=O)O.N=C(N)c1ccc(cc1)OCCCCCOc2ccc(cc2)C(=N)N Tox21_201722 -NCGC00259957-01 196709092 tox21-ror-cho-viability-p1 set2 4 0.98786399 -2.31406832 -2.67846261 3.23749754 -0.87920381 -0.80067391 2.71761912 0.42438474 1.00219549 -0.53773096 1.67642551 0.78066716 -0.88863629 -1.13907248 -6.47006473 1.19E-9 2.66E-9 5.949E-9 1.3299999999E-8 2.975E-8 6.6509999999E-8 1.487E-7 3.326E-7 7.436E-7 0.000001663 0.000003718 0.000008314 0.00001859 0.00004157 0.00009295 107-88-0 7896 144209606 A A 1,3-Butanediol CC(O)CCO Tox21_202408 -NCGC00256911-01 196707857 tox21-ror-cho-viability-p1 set1 4 -2.23809703 -0.92916528 -3.38936656 -2.46296801 -4.60190881 3.42685222 -1.99775061 -1.80708363 -0.06910548 0.61478281 -1.47952729 0.04938474 -1.31569297 2.60909881 1.99974801 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58-56-0 6019 144212793 A A Pyridoxine hydrochloride Cl.Oc1c(CO)c(cnc1C)CO Tox21_302476 -NCGC00256459-01 196707862 tox21-ror-cho-viability-p1 set1 4 8.6349217992 8.240721528 -1.740721528 6.5 4.9549173134 0.3657912393 0.3215031242 0.32509402 -2.87057349 2.43289655 1.11674067 0.87005232 -0.14712797 0.07912973 2.56855509 -10.61726794 -7.58998813 -7.54482836 1.91061998 8.29507926 4.72986982 0.57412661 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 132-98-9 23676814 144213231 A B Penicillin VK [K+].O=C([O-])[C@@H]2N3C(=O)[C@@H](NC(=O)COc1ccccc1)[C@H]3SC2(C)C Tox21_302914 -NCGC00256947-01 196707872 tox21-ror-cho-viability-p1 set1 4 0.0685896219 11.523338612 -11.023338612 0.5 1.34431 0.5496282443 0.1358277744 -2.46282058 -21.68611551 -8.69385737 -12.85123992 -2.7777067 -10.56152035 0.64276014 -2.26615018 -0.70909223 0.94397494 2.49994333 -0.83175768 -1.14966408 0.70179014 0.24446572 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 123-09-1 31243 144213628 A F 4-Chlorophenyl methyl sulfide CSc1ccc(Cl)cc1 Tox21_303311 -NCGC00090987-03 196708275 tox21-ror-cho-viability-p1 set1 4 0.74199026 0.84521377 0.37112934 0.46947519 2.16603149 0.09212154 1.01296085 2.99840096 7.33444112 -6.55372841 2.02815731 -1.03457942 7.45434693 0.39601333 0.49711411 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00256903-01 196708288 tox21-ror-cho-viability-p1 set1 4 0.62150232 -0.50970947 -1.29232421 2.95551677 -0.21341844 2.73710852 0.69155907 0.57876276 0.56844174 2.15217209 2.63107003 2.85949636 2.57520508 0.89176783 2.82186119 1.2789999999E-9 2.86E-9 6.3949999999E-9 1.4299999999E-8 3.1969999999E-8 7.1499999999E-8 1.5989999999E-7 3.5749999999E-7 7.9939999999E-7 0.0000017869999999 0.000003997 0.000008937 0.00001998 0.000044689999999 0.000099919999999 6010-91-9 12338093 144212979 F Pyrimidine-2,4,5,6(1H,3H)-tetrone tetrahydrate O.O.O.O.O=C1C(=O)NC(=O)NC1=O Tox21_302662 -NCGC00258899-01 196708684 tox21-ror-cho-viability-p1 set2 4 6.24546867 -1.15907563 -0.26021017 -0.45613937 -0.39132246 2.94461386 4.42351447 3.16894349 4.38613138 -0.83788284 0.79494035 6.51753958 6.51839368 6.88111746 5.88704638 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004124 0.00009223 80-08-0 2955 144208545 A A Dapsone Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2 Tox21_201347 -NCGC00259390-01 196708691 tox21-ror-cho-viability-p1 set2 -2.4 43.7616928674 -29.6166809479 -0.5 -30.1166809479 1.9673362061 0.9597594 0.0000025505 -4.16138942 0.66321111 -1.06367235 -1.12046671 -0.63699373 -0.31726229 -0.86955063 0.66804748 -1.52794114 -1.03649709 0.83616869 -0.27891387 -3.22354664 -15.89907152 -24.26390079 1.191E-9 2.663E-9 5.954E-9 1.331E-8 2.977E-8 6.657E-8 1.489E-7 3.3289999999E-7 7.4429999999E-7 0.0000016639999999 0.000003721 0.0000083209999999 0.00001861 0.000041609999999 0.00009304 56-72-4 2871 144209039 A A Coumaphos CCOP(=S)(OCC)Oc1ccc2c(c1)OC(=O)C(Cl)=C2C Tox21_201841 -NCGC00259853-01 196708702 tox21-ror-cho-viability-p1 set2 4 -0.44386001 1.14111055 2.7777809 1.52303273 3.20354956 3.83255058 1.92730124 0.25167378 -0.6681631 1.19634962 4.01250272 1.03693686 2.07500555 2.79973786 3.00320427 1.1989999999E-9 2.6809999999E-9 5.9959999999E-9 1.3409999999E-8 2.998E-8 6.703E-8 1.4989999999E-7 3.352E-7 7.495E-7 0.000001676 0.000003747 0.0000083789999999 0.000018739999999 0.000041899999999 0.00009368 142-04-1 8870 144209502 A A Aniline hydrochloride Cl.Nc1ccccc1 Tox21_202304 -NCGC00253915-01 196720207 tox21-ror-cho-viability-p1 set3 4 0.0172289341 9.98699778 -10.48699778 -0.5 0.8999999999 0.7428544079 0.0219875221 -6.9542695 -13.32249815 -7.13483475 -5.75332961 -3.11327957 -2.56765934 -3.18292673 -2.6316594 -0.99681159 1.35033609 -2.87222002 1.80784716 -1.74915329 1.48199019 -2.08651833 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-53-0 3314 144210425 A A Eugenol Oc1ccc(cc1OC)CC=C Tox21_300105 -NCGC00160623-04 196723459 tox21-ror-cho-viability-p1 set3 4 0.26603212 -16.1559883359 10 -6.1559883359 4.9549173134 0.5863807344 0.1212092247 3.59292377 -4.17399309 4.92227854 12.88306366 25.55008061 14.59803165 11.38850868 11.75063436 -6.17072549 -3.73970667 -8.87999028 -7.25046765 -7.46988626 -1.22816169 8.55309402 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5466-77-3 21630 170464894 A Octinoxate COc1ccc(C=CC(=O)OCC(CC)CCCC)cc1 Tox21_111942_1 -NCGC00254796-01 196720616 tox21-ror-cho-viability-p1 set3 4 27.2782538257 29.9280108459 -2.528775718 27.3992351279 0.7999999999 0.3078206482 0.3741585095 -8.10661189 1.32667367 -6.04440286 -1.07860764 7.21890966 7.05656731 -25.43984969 -0.09504972 2.68896157 1.22270405 11.49328159 -0.0474575 4.2969518 20.55823813 -5.79320311 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 52315-07-8 2912 144211209 I I Cypermethrin Cl/C(Cl)=C/C3C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C Tox21_300892 -NCGC00254272-01 196719799 tox21-ror-cho-viability-p1 set3 4 2.4336516212 -13.4263481 -0.5 -13.9263481 4.9549173134 0.5045067343 0.1740983246 -1.93761457 -7.82614352 2.32560684 4.73395869 -0.12535628 1.19488288 4.98348677 -16.73480777 5.49147457 4.79900759 -17.43013132 -10.17615471 -10.60102903 -10.92909564 -20.77195675 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69-09-0 6240 144210835 A A Chlorpromazine hydrochloride Cl.CN(C)CCCN1c3ccccc3Sc2ccc(Cl)cc12 Tox21_300517 -NCGC00254033-01 196720209 tox21-ror-cho-viability-p1 set3 4 0.0273060203 14.7011071359 -14.353692924 0.3474142119 0.3 0.4242645373 0.2493839162 -11.14073812 -14.46141077 -1.01444275 -2.00428907 -12.5374289 -11.29055309 -2.04016731 -4.43516033 -3.36748057 -2.97461145 -0.95240331 -4.29682475 -0.57323647 -0.54382149 -0.62011982 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 862243-29-6 24798733 144210572 A A AVE9423 O=C(O)c1ccccc1N4C=C(C(=O)c3cc(Nc2c(F)cc(F)cc2Cl)c(Cl)cc34)C(=O)O Tox21_300252 -NCGC00254311-01 196720619 tox21-ror-cho-viability-p1 set3 1.4 0.0086349218 19.9549335481 -20.562126636 -0.6071930879 0.4 0.7895192818 0.0099066299 -12.03138396 -18.38510553 -8.90544073 -7.01474685 -10.84836901 -7.46809564 -2.51617779 -7.15550718 -3.47713582 -3.02714303 -1.30578041 -2.16152119 -0.50599424 -2.32388798 -0.85379763 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47305 9828356 144210783 FNS CP-608039 Cc5cc(COc4ccc(Cl)cc4CNc3ncnc2c3ncn2[C@@H]1O[C@H](C(=O)NC)[C@@H](N)[C@H]1O)on5 Tox21_300465 -NCGC00254210-01 196720622 tox21-ror-cho-viability-p1 set3 1.2 0.6085349179 31.5609409472 4 35.5609409472 0.9999999999 0.7623837356 0.0210468088 14.3011954 13.15632655 7.64532335 7.36891187 1.63328794 7.10005497 13.92850357 1.60979981 21.16235831 32.65601432 37.04264682 34.11780557 30.51141847 31.99100399 5.72318609 1.0679999999E-9 2.3869999999E-9 5.3379999999E-9 1.1939999999E-8 2.6689999999E-8 5.9679999999E-8 1.335E-7 2.9839999999E-7 6.6729999999E-7 0.0000014919999999 0.000003336 0.00000746 0.00001668 0.0000373 0.000083409999999 NOCAS_47342 60196403 144210550 A A SR125047 Cl.COc1cccc(c1)c2ccc(cc2Cl)/C=C\CN3CCCCCC3 Tox21_300230 -NCGC00015060-14 196720634 tox21-ror-cho-viability-p1 set3 4 6.89370362 11.25915164 13.37964345 5.89892361 15.59806869 12.03881762 -2.64688437 6.4258033 7.45011006 3.968415 9.7460389 4.24861878 9.53915677 7.35395732 8.07586523 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00259463-01 196721028 tox21-ror-cho-viability-p1 set3 4 4.9745269083 7.5579195559 -13.6885072559 -6.1305877 4.9549173134 0.5517230637 0.1346888725 -18.35637271 -14.98482308 -16.60818442 -6.10312661 -14.73667266 -13.58647996 -12.59820199 -12.28560079 -10.84858405 -18.90708938 -11.82289989 -6.51400156 -4.27548975 -4.92147372 -8.71273192 1.204E-9 2.6909999999E-9 6.018E-9 1.346E-8 3.009E-8 6.729E-8 1.5049999999E-7 3.3639999999E-7 7.523E-7 0.000001682 0.000003761 0.000008411 0.000018809999999 0.000042049999999 0.00009404 97-90-5 7355 144209112 A A Ethylene glycol dimethacrylate O=C(OCCOC(=O)C(=C)C)C(=C)C Tox21_201914 -NCGC00259150-01 196721041 tox21-ror-cho-viability-p1 set3 4 15.6211492026 10.3987401479 -7.3987401479 3 3.2474983358 0.4542722237 0.22067315 -10.5551582 -3.95714776 0.2721763 -0.43663001 -12.1700535 -5.72846823 -10.5953426 -9.14859368 -8.02356508 -4.68410558 -14.91561679 -4.50450194 -0.78551934 3.22353506 2.75944425 1.197E-9 2.677E-9 5.986E-9 1.338E-8 2.993E-8 6.6919999999E-8 1.496E-7 3.346E-7 7.482E-7 0.000001673 0.000003741 0.000008366 0.00001871 0.00004183 0.00009353 2893-78-9 517121 144208799 Sodium dichloroisocyanurate [Na+].ClN1C(=O)[N-]C(=O)N(Cl)C1=O Tox21_201601 -NCGC00259453-01 196721440 tox21-ror-cho-viability-p1 set3 4 0.2197700629 -18.7274163599 2 -16.7274163599 1.2221 0.7524893195 0.0187301832 -8.7491538 5.85971348 8.83231029 4.92678819 -2.86809011 -4.6088597 -1.17931631 -9.88876985 -16.99728578 -9.41471559 -20.6061803 -13.16602754 -17.074281 -18.67038166 -16.20314882 1.193E-9 2.667E-9 5.9649999999E-9 1.3339999999E-8 2.982E-8 6.669E-8 1.491E-7 3.3339999999E-7 7.456E-7 0.0000016669999999 0.000003728 0.000008336 0.00001864 0.00004168 0.0000932 83-79-4 6758 144209102 A B Rotenone C=C(C)[C@@H]2Oc3ccc1C(=O)[C@H]4c5cc(OC)c(OC)cc5OC[C@H]4Oc1c3C2 Tox21_201904 -NCGC00163906-02 196704286 tox21-ror-cho-viability-p1 set1 4 4.94272774 4.24754002 5.88325721 3.88866026 2.40799184 2.4770619 0.21211406 2.53575793 2.11906496 3.06344989 0.26235517 -1.64976732 -1.22433064 2.52488826 1.09031344 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00357213-01 196703888 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -11.25564472 0 -11.25564472 4.9549173134 0.4101352402 0.2646717049 2.06386646 -2.85626107 3.30202799 -2.32373828 -1.12814058 -0.07916112 4.50209765 -0.03037232 -4.68308046 0.44665973 -3.64104668 1.82725821 1.44137876 1.90595389 -8.5463706 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-52-7 7145 251919982 B 1,2-dibromo(phenyl)ethane BrCC(Br)c1ccccc1 Tox21_303993 -NCGC00091602-02 196703891 tox21-ror-cho-viability-p1 set1 4 -4.91861646 -3.66732589 -1.26118594 -1.22865112 -0.01288949 -0.11824 -4.73589911 -0.90760167 -5.18843527 0.59975849 -8.77545861 -7.94174472 -0.40856632 -1.0408933 -6.9822276 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00260525-01 196703894 tox21-ror-cho-viability-p1 set1 4 0.0136854288 -7.870797268 3.5 -4.370797268 4.4494702849 0.6310842403 0.0763967461 3.80711909 2.44770558 4.00162364 -0.21016247 -5.37504717 -5.52025902 -4.0900614 -5.31977524 3.414981 -8.22566439 -6.76420473 -6.42565144 -3.53143019 -4.43102911 -4.08224652 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.00001844 0.000041219999999 0.00009218 65055-17-6 2736548 144210177 F F 3-Chloro-4-fluorobenzoyl chloride Fc1ccc(cc1Cl)C(Cl)=O Tox21_202979 -NCGC00018269-05 196704288 tox21-ror-cho-viability-p1 set1 4 29.8492948118 -22.767514884 -2.699884736 -25.46739962 0.8999999999 0.6609999846 0.0581096847 -0.91327426 -3.23596556 -2.06304247 -6.86713001 -5.12678708 -4.43378157 -5.66156116 -0.58323728 -3.72800485 -2.7608853 -4.4187725 -5.3585326 -12.3080277 -5.89790748 -19.55616635 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 34140-59-5 5388977 170465734 A Trimebutine maleate COc1c(cc(cc1OC)C(=O)OCC(CC)(c2ccccc2)N(C)C)OC.O=C(O)/C=C\C(=O)O Tox21_111554_1 -NCGC00018274-05 196704298 tox21-ror-cho-viability-p1 set1 4 -2.11726231 -0.82776929 -1.34524292 -0.33914023 -0.9112083 -1.20466579 0.02680294 -0.12986636 -2.03845132 3.55596826 2.29952014 1.02967766 1.34802247 -0.80015172 -4.72505256 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13739-02-1 26248 170466475 A Diacerein CC(=O)Oc3cccc2C(=O)c1cc(cc(OC(C)=O)c1C(=O)c23)C(=O)O Tox21_110856_1 -NCGC00166158-02 196704303 tox21-ror-cho-viability-p1 set1 4 5.70324376 1.39388101 -0.10208642 0.30853026 1.69996575 -0.19995274 2.72605041 4.48998404 3.01186162 0.25076978 4.0601736 3.09410443 0.24515489 0.44692989 5.46771076 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14816-18-3 9570290 170466592 A Phoxim CCOP(=S)(O\N=C(/C#N)c1ccccc1)OCC Tox21_113357_1 -NCGC00095041-08 196704304 tox21-ror-cho-viability-p1 set1 4 -1.82756923 1.23452946 0.09791743 0.30640919 0.01694024 -0.75282465 -0.01505171 -3.17663152 -4.11744226 -6.83373962 -3.58209904 -0.76617603 -3.71212835 2.78780827 -0.17466598 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-79-6 5641 170466651 F Urethane NC(=O)OCC Tox21_111398_1 -NCGC00015924-12 196704708 tox21-ror-cho-viability-p1 set1 4 -4.98737129 -5.81742194 -4.6217296 1.1514968 2.69244988 -5.34989412 2.71860925 1.20524164 1.28235221 -4.39254045 -6.07824014 1.95331595 2.43439407 -3.88164179 -2.65238762 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-07-5 7172 170466681 Z Synephrine OC(CNC)c1ccc(O)cc1 Tox21_110390_1 -NCGC00257713-01 196702232 tox21-ror-cho-viability-p1 set1 4 -1.37659669 2.18659528 -1.2245534 3.80617805 4.32560096 -0.77075869 -0.02440422 -1.00581564 1.59143026 1.0396319 4.80775363 3.31789245 4.60993832 -1.14584471 4.97302634 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041229999999 0.00009218 98-83-9 7407 144207357 AC F alpha-Methylstyrene C=C(C)c1ccccc1 Tox21_200159 -NCGC00257790-01 196701828 tox21-ror-cho-viability-p1 set1 4 61.130564862 -16.946331104 0 -16.946331104 3.2474983358 0.6434947577 0.0684707379 -2.33576748 2.31935836 -4.72951554 2.20848599 -1.25730687 3.23015324 5.84254055 2.84216178 -1.49232749 0.319677 -1.64553167 -1.73775274 -1.65929808 -3.1817339 -13.70527592 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041219999999 0.00009218 6197-30-4 22571 144207434 A A 2-Ethylhexyl-2-cyano-3,3-diphenylacrylate CCC(CCCC)COC(=O)C(\C#N)=C(\c1ccccc1)c2ccccc2 Tox21_200236 -NCGC00090704-03 196701830 tox21-ror-cho-viability-p1 set1 4 -9.585242 -1.26356326 2.48513456 -3.57048162 -10.12236305 -4.99104646 -1.60521358 -13.40587675 -2.6191715 -7.43795959 -11.54563535 0.20384558 -2.71519331 -10.82011405 -4.92912734 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00257624-01 196701838 tox21-ror-cho-viability-p1 set1 4 9.7970226882 -12.938447444 -7.320666428 -20.259113872 0.4 0.5619192133 0.1270439638 -11.70193758 -7.65893497 -4.84193265 -9.45289847 -9.82053982 -4.43388869 -11.03028871 -14.66939123 -9.2496973 -10.59555812 -10.48210991 -13.22640212 -17.29926156 -14.80614312 -16.50741579 1.191E-9 2.663E-9 5.954E-9 1.331E-8 2.977E-8 6.657E-8 1.489E-7 3.3289999999E-7 7.4429999999E-7 0.0000016639999999 0.000003721 0.0000083209999999 0.00001861 0.000041609999999 0.00009304 1817-73-8 15752 144207268 A A 2-Bromo-4,6-dinitroaniline Nc1c(cc(cc1Br)[N+]([O-])=O)[N+]([O-])=O Tox21_200070 -NCGC00260568-01 196724249 tox21-ror-cho-viability-p1 set3 4 0.0211316824 17.1750837439 -12.1750837439 5 0.3 0.535282273 0.1481430507 -12.64590312 -1.94783971 -1.96493055 -7.10756801 -5.72443239 -8.81825089 3.22519788 -1.34525454 1.11450369 1.71364402 3.53978313 -3.19044722 0.44447932 4.08289372 6.11964871 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49464 144210221 M M NTP Mix76 CT1 62-EQP Tox21_203023 -NCGC00357107-01 196724236 tox21-ror-cho-viability-p1 set3 4 0.0019331182 23.476234824 -24.476234824 -1 3.0654483358 0.3580879397 0.3117236744 -19.86326894 -8.09292351 -0.52075565 -3.59328781 0.25346514 0.12554245 2.85442665 2.65505197 0.45926131 -24.56352902 0.91569196 0.594415 1.48660745 4.31059655 2.60253196 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-62-6 62322 251919947 Fns Diethoxy(dimethyl)silane C[Si](C)(OCC)OCC Tox21_303834 -NCGC00257625-01 196724245 tox21-ror-cho-viability-p1 set3 -2.1 61.6904908231 -92.3846119427 0.34696444 -92.0376475027 2.9022712143 0.9520066998 0.0000067135 -6.5640465 3.7544345 6.04728931 -5.77669643 1.14696289 3.40686466 -2.16603742 3.10686605 4.05913356 -7.04113192 1.6520103 4.9244618 -3.40784745 -21.62337799 -70.48306629 1.189E-9 2.6589999999E-9 5.945E-9 1.3289999999E-8 2.9719999999E-8 6.647E-8 1.486E-7 3.323E-7 7.4309999999E-7 0.000001662 0.000003716 0.0000083079999999 0.000018579999999 0.00004154 0.00009289 434-07-1 5281034 144207269 A A Oxymetholone O=C3C[C@@H]4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@]1(C)O)[C@@]4(C)C\C3=C\O Tox21_200071 -NCGC00260671-01 196724250 tox21-ror-cho-viability-p1 set3 4 30.4821390594 -21.3413149039 -3 -24.3413149039 1.9673362061 0.6360272687 0.0853866931 -5.69588792 -6.31534657 -5.44965238 -1.82824553 -6.79272307 -2.93940304 -0.24326368 -1.36473871 3.01578523 -1.37136732 -1.4080218 -7.49973354 -4.80916404 -18.61776242 -7.72534512 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.468E-7 3.2829999999E-7 7.3419999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.00001835 0.00004104 0.00009177 115-86-6 8289 144208709 A A Triphenyl phosphate O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3 Tox21_201511 -NCGC00259141-01 196724645 tox21-ror-cho-viability-p1 set3 -2.1 47.7687169443 -75.7608283646 1.126660737 -74.6341676276 3.1319983358 0.9527129656 0.0000061886 -4.41235263 -0.89259326 2.21552825 -0.06423777 5.11449305 -5.81581827 6.8501502 -1.35920342 7.3438717 2.10175458 -2.04829964 -2.02667662 3.24761231 -26.75049715 -66.38952093 1.164E-9 2.602E-9 5.818E-9 1.301E-8 2.909E-8 6.5049999999E-8 1.4549999999E-7 3.252E-7 7.2729999999E-7 0.0000016259999999 0.000003636 0.000008131 0.00001818 0.000040659999999 0.00009091 143-50-0 299 144208790 A F Kepone O=C2C1(Cl)C3(Cl)C5(Cl)C1(Cl)C4(Cl)C2(Cl)C3(Cl)C4(Cl)C5(Cl)Cl Tox21_201592 -NCGC00258067-01 196729294 tox21-ror-cho-viability-p1 set3 -2.1 48.5577336745 -87.1581448159 0.5339395259 -86.62420529 2.4063783767 0.9629247738 0.0000016024 -0.13619556 -3.57229148 1.0736499 -0.8740514 1.26946632 2.78081914 -4.09438231 -5.79325403 0.03770957 1.14951879 6.08678739 8.73317649 -9.3142466 -35.39842711 -70.92742825 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 952-23-8 197873 144207711 A A Proflavin hydrochloride Cl.Nc1cc2nc3cc(N)ccc3cc2cc1 Tox21_200513 -NCGC00257917-01 196729280 tox21-ror-cho-viability-p1 set3 4 -0.2337496 -0.36986559 1.12227097 0.86750448 1.16402132 1.67972851 4.86102924 -0.35038471 5.82472388 1.21029647 1.68959711 -0.39413678 3.02373224 8.56810451 -0.24602004 1.157E-9 2.5879999999E-9 5.786E-9 1.2939999999E-8 2.8929999999E-8 6.4689999999E-8 1.446E-7 3.234E-7 7.2319999999E-7 0.000001617 0.0000036159999999 0.000008086 0.000018079999999 0.00004043 0.00009041 78-94-4 6570 144207561 FNS Methyl vinyl ketone C=CC(C)=O Tox21_200363 -NCGC00258155-01 196729279 tox21-ror-cho-viability-p1 set3 4 -0.00834377 -0.67569478 7.96451468 3.16978756 7.51450839 12.31642438 1.94217392 5.24467928 -12.54603755 1.02656583 1.92210402 3.6494234 1.85570336 0.7765115 1.52661972 1.219E-9 2.7269999999E-9 6.097E-9 1.3629999999E-8 3.048E-8 6.816E-8 1.524E-7 3.408E-7 7.621E-7 0.000001704 0.0000038109999999 0.000008521 0.00001905 0.0000426 0.00009526 22113-87-7 159924 144207799 A A Methylammonium nitrate CN.[O-][N+](=O)O Tox21_200601 -NCGC00258499-01 196729284 tox21-ror-cho-viability-p1 set3 4 0.0053984399 27.55087346 -31.55087346 -4 1.4641 0.5908821845 0.1033503523 -28.79239455 -24.2643831 -15.58885769 -13.67587844 -3.39786348 -4.33427554 2.63861951 -0.7184828 -1.86440357 -4.22656754 -11.25236913 -23.33715471 -8.59144569 -2.66163868 1.14500684 1.171E-9 2.618E-9 5.8549999999E-9 1.3089999999E-8 2.927E-8 6.546E-8 1.464E-7 3.2729999999E-7 7.3189999999E-7 0.000001637 0.0000036589999999 0.000008183 0.0000183 0.000040909999999 0.00009148 320-60-5 9443 144208144 AC Fns 2,4-Dichlorobenzotrifluoride FC(F)(F)c1ccc(Cl)cc1Cl Tox21_200946 -NCGC00258563-01 196729295 tox21-ror-cho-viability-p1 set3 2.4 55.2592762104 22 2 24 0.9999999999 0.6980316062 0.0391880999 0.26642009 1.51029655 1.39316813 5.01174111 1.40946772 1.0085732 0.77096711 1.1842131 8.04893146 5.30497993 0.26769294 0.23193661 10.28928959 8.19079703 18.54778364 1.194E-9 2.67E-9 5.9699999999E-9 1.335E-8 2.985E-8 6.6739999999E-8 1.4919999999E-7 3.337E-7 7.4619999999E-7 0.000001669 0.0000037309999999 0.000008343 0.00001866 0.00004171 0.00009328 4342-03-4 5281007 144208208 A A Dacarbazine CN(C)/N=N/c1ncnc1C(N)=O Tox21_201010 -NCGC00258614-01 196729299 tox21-ror-cho-viability-p1 set3 4 3.26664045 -2.23481537 0.812036 4.93137116 4.46082732 0.60967089 3.01436171 3.27189452 -0.11585354 -0.93270178 -0.4295518 0.21677576 -2.32475202 -1.14134 -1.52999817 1.188E-9 2.656E-9 5.9389999999E-9 1.3279999999E-8 2.9699999999E-8 6.64E-8 1.4849999999E-7 3.32E-7 7.4239999999E-7 0.0000016599999999 0.000003712 0.0000083 0.00001856 0.0000415 0.000092799999999 174899-82-2 11731903 144208259 Fc 1-Ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide C[n+]1ccn(CC)c1.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F Tox21_201061 -NCGC00258190-01 196729301 tox21-ror-cho-viability-p1 set3 1.4 1.2520358645 18.602572244 -19.102572244 -0.5 3.5117481694 0.7919677073 0.0093606855 -16.81213963 -7.23477207 -20.5371636 -15.62979652 -21.98360413 -22.81506006 -23.83547687 -19.79557704 -22.22397491 -2.92572976 0 0 -6.71783487 0.46445886 3.16563163 1.206E-9 2.697E-9 6.0309999999E-9 1.349E-8 3.016E-8 6.743E-8 1.5079999999E-7 3.372E-7 7.539E-7 0.0000016859999999 0.00000377 0.000008429 0.00001885 0.000042149999999 0.000094239999999 1629-58-9 15394 144207834 FNS Ethyl vinyl ketone C=CC(=O)CC Tox21_200636 -NCGC00090708-05 196710765 tox21-ror-cho-viability-p1 set2 4 -6.15588087 -12.12446415 -2.62273359 -5.446142 -0.40496669 -2.34626163 -2.80845549 -2.43754222 0.07382402 2.54580167 -4.29648 -0.18431399 -6.90760552 -11.97161931 -12.02328103 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00255307-01 196710779 tox21-ror-cho-viability-p1 set2 4 24.3365162115 -6.935628228 -1 -7.935628228 4.9549173134 0.4960254792 0.1841256433 4.10748257 -2.2010477 -2.15382752 -1.32093057 -4.04562374 -3.35052045 -1.6528558 -0.89996083 -2.35213138 -1.51731279 4.14891947 -1.54715117 -2.15386675 -9.52969019 -6.24359811 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 480-40-0 5281607 144212652 A A Chrysin Oc2cc(O)cc1OC(=CC(=O)c12)c3ccccc3 Tox21_302335 -NCGC00256246-01 196710781 tox21-ror-cho-viability-p1 set2 4 2.64676684 1.63167415 1.42087592 4.71498565 2.08394681 2.3198717 3.08633836 -1.05082693 0.65417786 -0.43427525 3.1394124 0.66326171 -1.56143836 1.47794856 1.14199367 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67024-46-8 106701 144211549 A Fns Propan-2-yl 2-ethylhexanoate CC(C)OC(=O)C(CCCC)CC Tox21_301232 -NCGC00256279-01 196711184 tox21-ror-cho-viability-p1 set2 4 30.6378586933 -15.2582624 0 -15.2582624 2.5884283767 0.8948112735 0.0004192769 2.05074804 -1.47245439 -1.90602333 0.96297407 0.32542204 -2.57114198 1.40109761 1.28412682 1.38656404 -2.48732941 1.33355799 -0.0519616 -4.3428221 -9.62711235 -16.048552 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5495-84-1 79633 144211854 A A 2-(Propan-2-yl)-9H-thioxanthen-9-one CC(C)c1cc2C(=O)c3ccccc3Sc2cc1 Tox21_301537 -NCGC00255486-01 196711185 tox21-ror-cho-viability-p1 set2 4 43.2771256911 21.9319579159 -5.9319579159 16 0.6999999999 0.5443221744 0.1403533481 1.52105465 -2.75773062 -15.35996493 -9.76127575 -3.1805153 -2.53505941 -9.54879144 -6.71450683 -2.70005678 -1.83586333 -2.10456001 -1.68945849 1.17533633 2.30258823 10.12586466 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5080-50-2 6917959 144212657 A Ac Acetyl-L-carnitine hydrochloride Cl.O=C(C)O[C@H](CC([O-])=O)C[N+](C)(C)C Tox21_302340 -NCGC00357114-01 196711210 tox21-ror-cho-viability-p1 set2 4 0.1535530364 -9.322547252 1 -8.322547252 4.9549173134 0.543739339 0.1567081662 -0.50504126 0.00159643 0.99371093 0.96521613 3.14605343 1.94088846 -3.26798181 -10.02093337 -13.42356045 -3.59846321 0 -16.10212271 -10.79910425 -2.70866646 2.88667652 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-43-6 7502 251919838 A 4-Vinylpyridine C=Cc1ccncc1 Tox21_303844 -NCGC00255376-01 196710810 tox21-ror-cho-viability-p1 set2 4 0.1840757 -0.76547102 0.97535891 -0.44802827 0.10754696 0.04610312 -0.06942297 -1.70567531 0.19623315 -0.29573656 4.08953963 0.69401044 -0.25981578 4.76461024 4.13373289 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 41859-67-0 39042 144212162 A A Bezafibrate O=C(NCCc1ccc(OC(C)(C)C(=O)O)cc1)c2ccc(Cl)cc2 Tox21_301845 -NCGC00260253-01 196711205 tox21-ror-cho-viability-p1 set2 4 31.1058079573 17.5 2.5 20 0.2 0.429693759 0.2450564001 3.87027577 3.28483668 7.12151064 4.94721309 5.09918001 5.31965329 7.23056437 12.89803268 11.34544315 8.55282437 4.49510762 8.3677566 5.28162215 14.43256377 15.74872701 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.6799999999E-8 1.494E-7 3.34E-7 7.468E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004175 0.000093349999999 69227-51-6 112264 144209903 A A 1-Ethyl-1-methylpyrrolidinium bromide [Br-].C[N+]1(CC)CCCC1 Tox21_202705 -NCGC00357017-01 196711208 tox21-ror-cho-viability-p1 set2 -2.1 61.130564862 -86.8822334583 -0.6123916039 -87.4946250622 4.5044702849 0.996492609 0 -0.8621805 -0.08148228 -1.19708643 -0.25159282 -1.73336353 -1.46436247 0.25642589 -1.00366983 0.33453107 0.07587671 0.0477255 -4.02522545 -0.26393847 -12.27250555 -75.78938497 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24038-68-4 13059052 251919989 A BisOPP-A Oc2ccc(cc2c1ccccc1)C(C)(C)c3ccc(O)c(c3)c4ccccc4 Tox21_303963 -NCGC00357037-01 196711214 tox21-ror-cho-viability-p1 set2 4 -0.40059916 -0.72415342 -8.89418063 -10.29197652 -6.34571961 -1.88021743 -1.67931781 -8.40131249 -1.12591872 -16.74634838 -17.93142252 -6.93467144 -13.05353066 1.8415138 -20.90260846 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10482-56-1 443162 251919979 A (L)-alpha-Terpineol CC1=CC[C@H](CC1)C(O)(C)C Tox21_303728 -NCGC00090704-03 196711225 tox21-ror-cho-viability-p1 set2 2.4 27.3060203028 39.5615803349 -6.2290706419 33.332509693 1.692447691 0.7340586539 0.024555255 -0.32451656 0.03474003 -9.22040495 -2.48237099 -0.43365099 -3.32150226 -6.96957708 -22.73673092 -19.87002805 -3.52969777 -0.62361406 -0.28850505 4.96673042 21.13076704 29.11329062 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00259994-01 196711622 tox21-ror-cho-viability-p1 set2 4 -0.4668636 -2.49378159 -3.26142703 -0.12837495 -2.12855996 -29.13604505 -3.69497722 -6.02115434 -8.44796216 0 -3.67743627 -5.75600807 -7.60635333 -10.95888827 -7.15849383 1.125E-9 2.516E-9 5.6259999999E-9 1.2579999999E-8 2.8129999999E-8 6.29E-8 1.4069999999E-7 3.1449999999E-7 7.033E-7 0.0000015729999999 0.000003516 0.000007863 0.000017579999999 0.00003931 0.000087909999999 34256-82-1 1988 144209643 A A Acetochlor ClCC(=O)N(COCC)c1c(C)cccc1CC Tox21_202445 -NCGC00253661-01 196723489 tox21-ror-cho-viability-p1 set3 2.4 26.6032120037 26.1940632041 3.3059367959 29.5 3.0654483358 0.7728048002 0.0134333151 5.0308391 4.02869737 3.17054244 3.28839051 0 3.31497165 -0.76940353 5.00502909 3.53634393 7.25024414 10.13714606 3.16997043 -2.24505267 12.6826308 25.08397813 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 85-90-5 66569 170466212 A A Methylchromone O=C1c2ccccc2OC=C1C Tox21_113786 -NCGC00022882-03 196722660 tox21-ror-cho-viability-p1 set3 4 -7.04222085 -0.0446953 2.44880837 2.88334755 -22.23196258 0 -20.77535283 -3.04982863 5.75266714 1.97467429 -0.18270509 1.34474264 0.4122093 1.39441702 7.93090956 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 364-98-7 3019 170465328 A Diazoxide Clc1ccc2N=C(C)NS(=O)(=O)c2c1 Tox21_110132_1 -NCGC00249895-01 196722664 tox21-ror-cho-viability-p1 set3 4 8.15135028 6.33881236 7.18461352 0.06198591 0.62946474 -3.05947393 3.34719896 5.83782142 2.67001306 6.63025725 6.09857029 -0.73463877 0.17857515 5.71194219 2.56767373 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2226-11-1 6436059 170465560 A F Bornelone CC2(C)C(=C\C=C\C(C)=O)/C1CCC2C1 Tox21_113671 -NCGC00253645-01 196723060 tox21-ror-cho-viability-p1 set3 4 -1.97118966 3.29941205 0.27152517 -0.03853524 -2.5688019 -7.7461352 -2.03526591 4.2488991 -1.53666489 -7.63459645 -8.29603742 0.92355419 -5.71288122 -8.87392216 -5.71381588 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3453-33-6 76991 170466750 Ac A 6-Methoxy-2-naphthalaldehyde O=Cc1ccc2cc(ccc2c1)OC Tox21_113771 -NCGC00091830-04 196720641 tox21-ror-cho-viability-p1 set3 4 11.43830273 12.7269332 -3.34687125 6.63892472 3.40686619 8.42802346 8.87456425 6.53431238 -4.03558336 5.97780428 4.57684081 -1.52171773 5.33912182 3.73714436 -2.38842749 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00254696-01 196720234 tox21-ror-cho-viability-p1 set3 4 0.56626858 -0.21246507 -3.94357311 17.36179092 0.02630855 15.12645714 0.81949606 -1.22570166 1.15600132 -0.05098111 -3.79053824 -3.41478926 3.48830143 1.02717924 0.98840401 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-41-7 7559 144211109 A A Methyl phenylacetate O=C(OC)Cc1ccccc1 Tox21_300792 -NCGC00254011-01 196720244 tox21-ror-cho-viability-p1 set3 4 0.0061130565 14.227614068 -15.7758063799 -1.5481923119 1.0999999999 0.851508467 0.0033787556 -11.84999719 -15.22983865 -7.13149046 -4.06121174 -5.23041804 -3.81016908 -0.1457637 -3.28171125 -2.05765466 -1.04760811 -0.58061022 -2.86848257 -0.04016026 -2.63573838 -8.78992049 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 127308-82-1 3086618 144210530 A A Zamifenacin c1cc(cc2OCOc12)CCN5CCC[C@@H](OC(c3ccccc3)c4ccccc4)C5 Tox21_300210 -NCGC00163771-03 196720250 tox21-ror-cho-viability-p1 set3 4 2.76038907 -0.17566042 0.04137384 -2.46450009 6.86056164 3.86217387 3.14015732 -2.53728231 8.49728862 11.60568488 2.50245546 11.17752871 5.945534 -3.18531283 4.44004987 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00254823-01 196720655 tox21-ror-cho-viability-p1 set3 1.1 0.0136715126 53.0625918695 -33.0552627115 20.007329158 3.5722481694 0.9173618829 0.0001220458 -30.36886626 -39.52979965 -26.75477776 -8.83450823 19.20972828 25.77477424 33.00684614 17.18650457 19.24248197 25.30878747 12.18927916 21.11671098 16.61054595 21.06528991 5.51964933 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 10453-86-8 5053 144211237 A A Resmethrin O=C(OCc2cc(Cc1ccccc1)oc2)C3C(/C=C(\C)C)C3(C)C Tox21_300920 -NCGC00254663-01 196720663 tox21-ror-cho-viability-p1 set3 4 -3.95932665 -5.85654501 -4.34166346 -0.07398211 -3.17631978 -2.09473436 -4.43321892 -0.01315344 1.3834838 -0.6587052 -0.03785156 0.37964289 0.33811158 1.71879227 -4.52428114 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-18-7 14871 144211076 A A 1-Monolaurin OCC(O)COC(=O)CCCCCCCCCCC Tox21_300759 -NCGC00259060-01 196721072 tox21-ror-cho-viability-p1 set3 4 0.53331586 -7.20266182 5.82415825 2.31533863 -3.2766811 -7.97372781 -10.8172328 -5.1068517 -5.81477774 -0.23126555 -5.94397475 -8.37227783 -4.6393405 0.4831552 3.89091807 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.961E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.000003701 0.000008275 0.0000185 0.00004137 0.000092519999999 315-22-0 9415 144208707 A A Monocrotaline O=C1OCC3=CCN2CC[C@@H](OC(=O)[C@H](C)[C@@](C)(O)[C@@]1(C)O)[C@H]23 Tox21_201509 -NCGC00258843-01 196721455 tox21-ror-cho-viability-p1 set3 4 15.2460596497 -14.7865465041 -8.2961410399 -23.082687544 0.8999999999 0.6461766353 0.06672428 -11.18593721 -5.2467842 -5.8576732 -7.41483518 -5.5027515 -12.33957656 -10.68388274 -13.20673757 -9.58855008 -8.99856252 -8.92870781 -11.69189305 -20.90223962 -20.18526895 -17.08476728 1.173E-9 2.6229999999E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.3299999999E-7 0.0000016389999999 0.000003665 0.000008195 0.00001833 0.00004098 0.000091629999999 57-63-6 5991 144208489 A A 17alpha-Ethinylestradiol Oc3cc4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@@]1(O)C#C)c4cc3 Tox21_201291 -NCGC00258890-01 196721466 tox21-ror-cho-viability-p1 set3 4 -0.5682716 -2.27980465 3.72306646 -13.15767502 -0.16125474 0.3389277 -0.06748621 3.05741326 0.68531823 0.9348104 0.89478144 3.07561717 0.1410987 3.34727198 4.17749955 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004135 0.00009247 1646-88-4 9570093 144208536 A A Aldoxycarb CC(C)(/C=N/OC(=O)NC)S(C)(=O)=O Tox21_201338 -NCGC00258846-01 196705967 tox21-ror-cho-viability-p1 set1 4 -12.15226252 -8.56038642 -14.36366247 -11.30216922 -5.45610979 -2.35862194 -2.60873183 -8.65535305 -6.89628816 -9.77238954 6.92725165 -7.53185622 -5.26662826 -7.73007653 -1.68247738 1.163E-9 2.602E-9 5.817E-9 1.301E-8 2.909E-8 6.5039999999E-8 1.454E-7 3.252E-7 7.2719999999E-7 0.0000016259999999 0.000003636 0.00000813 0.00001818 0.00004065 0.000090889999999 96-45-7 2723650 144208492 A Ac Ethylene thiourea S=C1NCCN1 Tox21_201294 -NCGC00258831-01 196705555 tox21-ror-cho-viability-p1 set1 4 -18.33961208 -6.57089968 -12.75134885 -23.99879207 -8.50743605 -8.43167054 -6.66616078 -10.71824014 -4.66426301 -4.9651732 -3.41044046 -18.74494161 3.02543865 -12.13356944 -13.7073561 1.1449999999E-9 2.5609999999E-9 5.725E-9 1.28E-8 2.863E-8 6.4009999999E-8 1.431E-7 3.2009999999E-7 7.157E-7 0.0000016 0.000003578 0.000008002 0.00001789 0.00004001 0.000089459999999 124-07-2 379 144208477 A A Octanoic acid O=C(O)CCCCCCC Tox21_201279 -NCGC00259031-01 196705559 tox21-ror-cho-viability-p1 set1 4 5.48878957 7.22809257 0.38982107 4.4090847 5.35519244 -3.53775778 0.24285859 0.77634036 6.67905341 11.979196 0.62335819 2.73676339 1.88788075 2.39697073 5.58591615 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.000091989999999 538-23-8 10850 144208678 A F Tricaprylin O=C(CCCCCCC)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC Tox21_201480 -NCGC00259257-01 196705966 tox21-ror-cho-viability-p1 set1 -2.1 19.4295177126 -94.2492636065 3.179404905 -91.0698587015 3.1319983358 0.969321427 0.0000016887 8.13082911 5.33344667 -0.12394959 -3.51599331 1.80378352 3.55036014 0.07493635 1.21168249 1.17164974 14.61042674 0.14607298 -1.18467846 -42.90428762 -81.80147516 -21.60695811 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.626E-8 1.482E-7 3.3129999999E-7 7.408E-7 0.000001656 0.000003704 0.000008282 0.00001852 0.000041409999999 0.000092599999999 156-10-5 9074 144208906 C A 4-Nitrosodiphenylamine O=Nc2ccc(Nc1ccccc1)cc2 Tox21_201708 -NCGC00260482-01 196703505 tox21-ror-cho-viability-p1 set1 4 7.00597196 5.81504488 1.1885486 1.65521789 6.02171994 -0.92091917 -0.62757022 8.16547614 4.92142187 2.7448763 4.25688707 3.90885324 1.04221096 2.02447679 1.82446766 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.331E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 609-15-4 11858 144210134 F I Ethyl 2-chloroacetoacetate O=C(C)C(Cl)C(=O)OCC Tox21_202936 -NCGC00091380-04 196703088 tox21-ror-cho-viability-p1 set1 4 -2.28638217 -4.73259589 1.06853921 -11.88445623 -4.20902111 -6.09864096 -7.83263241 -9.25158004 -0.94076104 -3.71798733 -18.40602507 -8.89518498 -4.4438986 -16.11936964 -8.28596175 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00091205-03 196703089 tox21-ror-cho-viability-p1 set1 4 0.8856312 0.31260913 1.23360362 1.6244119 -4.21858285 -0.04999224 3.68620059 -0.91646796 0.05202964 0.45362838 2.9322056 0.36492726 0.41669274 -0.25410687 -0.3077788 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00260459-01 196703489 tox21-ror-cho-viability-p1 set1 -2.4 19.5673271669 -30.4521976639 1.5 -28.9521976639 1.0999999999 0.942641081 0.0000177981 3.36355029 1.22253224 0.13620513 2.96936656 -1.66973521 -0.57654768 2.86717757 -0.81102907 2.96113867 1.90390963 -1.29961027 -11.32680373 -12.08902115 -18.46619103 -24.96016472 1.1919999999E-9 2.6659999999E-9 5.9609999999E-9 1.333E-8 2.98E-8 6.664E-8 1.49E-7 3.332E-7 7.451E-7 0.0000016659999999 0.000003726 0.0000083309999999 0.00001863 0.000041649999999 0.000093139999999 3331-46-2 95717 144210111 A A 9,10-Dihydrobenzo[a]pyren-7(8H)-one O=C5CCCc1c5cc2ccc4cccc3ccc1c2c34 Tox21_202913 -NCGC00259513-01 196703903 tox21-ror-cho-viability-p1 set1 -2.1 60.8819825247 -89.381327053 -2.6804252809 -92.0617523339 3.5722481694 0.9731150171 2.6E-7 -0.61543299 -5.39740576 -1.37144941 1.33986457 -1.18235187 1.37868286 -5.73559511 -3.17454101 -1.18791289 -0.21673768 -4.07100537 -4.19119561 -12.03212593 -18.68987728 -75.42556995 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.315E-8 2.94E-8 6.573E-8 1.4699999999E-7 3.2869999999E-7 7.3489999999E-7 0.000001643 0.0000036749999999 0.000008217 0.00001837 0.00004108 0.00009187 169590-42-5 2662 144209162 A A Celecoxib NS(=O)(=O)c1ccc(cc1)n3nc(cc3c2ccc(C)cc2)C(F)(F)F Tox21_201964 -NCGC00260546-01 196703913 tox21-ror-cho-viability-p1 set1 -1.1 0.3360731359 -99.2976272687 -1.382297547 -100.6799248157 1.826479391 0.9779506262 8.33E-8 -2.66629158 -0.9432957 -1.67787169 -5.6998289 -6.2005314 1.11586238 -1.28578398 -1.14730594 -0.82135461 -6.76785108 -13.87607574 -71.85678808 -91.53147711 -90.91055792 -92.70711309 5.916E-11 1.3229999999E-10 2.9579999999E-10 6.6149999999E-10 1.479E-9 3.307E-9 7.3949999999E-9 1.6539999999E-8 3.698E-8 8.268E-8 1.849E-7 4.134E-7 9.244E-7 0.000002067 0.000004622 56-35-9 16682746 144210199 F A Bis(tributyltin)oxide CCCC[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)CCCC Tox21_203001 -NCGC00258668-01 196703916 tox21-ror-cho-viability-p1 set1 -2.2 54.8152787309 -52.714748266 -3.227459386 -55.942207652 1.826479391 0.805764629 0.0070227078 2.07743212 4.13655776 1.13596215 -10.23502386 0.03647841 -11.86353522 -5.24275474 -3.2239751 -3.83384253 -9.25029078 3.97480275 -5.30961044 -14.33256509 -17.79715323 -43.1380361 1.1859999999E-9 2.6519999999E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001853 0.000041439999999 0.000092669999999 458-37-7 969516 144208314 A A Curcumin Oc1ccc(cc1OC)/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2 Tox21_201116 -NCGC00357115-01 196703917 tox21-ror-cho-viability-p1 set1 4 12.1971512362 -6.823752372 1.5 -5.323752372 2.4063783767 0.494323249 0.2039442618 -0.34988471 -0.0706779 4.14871169 5.62619674 -1.29327213 0.59265044 3.58432911 -0.50371065 1.74325202 -0.4651741 0.52300739 0.64037775 -4.2750073 -4.43646031 4.13267508 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 821-55-6 13187 251919663 Ac 2-Nonanone CCCCCCCC(C)=O Tox21_303845 -NCGC00258456-01 196730114 tox21-ror-cho-viability-p1 set3 4 13.8944540351 12.7065619719 -3.2065619719 9.5 4.9549173134 0.4950719804 0.1827698779 -2.24861276 -4.43169684 -2.3850234 -2.97224951 1.31656039 -3.56177775 -4.1717985 -0.58513396 -1.1645079 -1.18035554 -1.98289313 -18.50546831 12.06136046 11.11945847 4.83774442 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.679E-8 1.494E-7 3.34E-7 7.468E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004175 0.000093349999999 127-68-4 31389 144208100 A A Sodium 3-nitrobenzenesulfonate [Na+].O=S([O-])(=O)c1cc(ccc1)[N+]([O-])=O Tox21_200902 -NCGC00167466-02 196725895 tox21-ror-cho-viability-p1 set3 4 0.084126743 11 3 14 1.0999999999 0.4428998826 0.2309401555 2.05368039 2.83095884 4.02170697 2.66250651 9.30189982 6.41813031 0 13.72601866 9.9227548 23.63184477 20.67823496 12.40052077 7.09538021 6.56911395 14.64024004 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13010-47-4 3950 170464967 F Lomustine O=C(NC1CCCCC1)N(CCCl)N=O Tox21_112470_1 -NCGC00257792-01 196730131 tox21-ror-cho-viability-p1 set3 4 1.98975626 -2.33219169 0.92231392 -2.09705937 -0.29882154 2.32543281 1.71794887 -0.79047983 -1.8857054 -2.4866024 -3.62641419 -1.29102894 2.07670752 0.46396914 -6.68988554 1.1999999999E-9 2.683E-9 5.999E-9 1.3409999999E-8 2.999E-8 6.707E-8 1.5E-7 3.353E-7 7.498E-7 0.000001677 0.000003749 0.000008383 0.00001875 0.00004192 0.00009373 91-68-9 7062 144207436 A A 3-Diethylaminophenol Oc1cccc(c1)N(CC)CC Tox21_200238 -NCGC00257760-01 196730111 tox21-ror-cho-viability-p1 set3 4 2.88188553 -1.96373619 0.30040287 -0.96895455 1.28042028 1.80238219 0.0950549 -1.4676845 2.1192618 2.80817985 2.29564625 3.21111858 0.37189988 -0.28852055 1.75610709 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.953E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.000001651 0.0000036909999999 0.000008253 0.000018449999999 0.000041259999999 0.00009227 89-82-7 442495 144207404 A Ac R-(+)-Pulegone C/C(C)=C1/CC[C@@H](C)CC1=O Tox21_200206 -NCGC00160537-04 196730122 tox21-ror-cho-viability-p1 set3 4 10.8707224818 10.971953248 -1.971953248 9 3.0654483358 0.70484383 0.0448466727 -3.2053084 -4.60799822 -0.72768848 -2.62841885 -1.19719942 -1.20264075 1.9794137 -4.03259192 1.30476046 -7.05996104 0 0 9.25078663 8.00727661 0.16688288 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00258497-01 196730525 tox21-ror-cho-viability-p1 set3 -2.2 77.1139156212 -71.2297610568 -6.758205756 -77.9879668128 0.9999999999 0.7828364396 0.0111425901 -4.80926246 -0.77275132 -2.7132149 -5.05384132 -6.09817676 -4.65670658 -3.25194694 -19.75776084 -12.97324257 -11.30297628 -15.94631258 -17.19383529 -6.61651572 -31.01132052 -59.08179304 1.301E-9 2.909E-9 6.505E-9 1.455E-8 3.2519999999E-8 7.273E-8 1.626E-7 3.6359999999E-7 8.131E-7 0.000001818 0.000004066 0.0000090909999999 0.000020329999999 0.00004546 0.00010159999999 68047-06-3 449459 144208141 A A (Z)-4-Hydroxytamoxifen Oc1ccc(cc1)C(\c2ccc(OCCN(C)C)cc2)=C(/CC)c3ccccc3 Tox21_200943 -NCGC00257950-01 196730526 tox21-ror-cho-viability-p1 set3 4 0.01458182 -0.82904411 0.47665154 0.64154093 0.75128743 3.63026482 -0.56503216 6.03952319 7.93477152 -0.06814967 0.87553337 4.76419578 5.72356133 4.33174879 3.63176475 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.6299999999E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008287 0.00001853 0.000041439999999 0.00009265 4884-68-8 71833 144207594 D Hydrastinine hydrochloride Cl.CN1CCc2cc3OCOc3cc2C1O Tox21_200396 -NCGC00258605-01 196730527 tox21-ror-cho-viability-p1 set3 4 0.57863707 -2.63903331 -4.60128478 -3.0265176 0.17576731 -2.84751919 0.77060349 0.57724884 1.20201673 2.56021523 0.57470163 -0.17113828 0.09348492 -0.74713204 0.57282637 1.213E-9 2.7119999999E-9 6.064E-9 1.3559999999E-8 3.0319999999E-8 6.78E-8 1.516E-7 3.39E-7 7.58E-7 0.000001695 0.0000037899999999 0.000008474 0.00001895 0.000042369999999 0.00009475 123-86-4 31272 144208250 FNS Butyl acetate CC(=O)OCCCC Tox21_201052 -NCGC00258352-01 196730538 tox21-ror-cho-viability-p1 set3 4 1.43289797 0.82148566 0.89359697 -0.5392344 -0.80892623 1.44026531 -0.16897002 1.43865698 -6.38918611 0.71749112 -4.165583 0.16854679 -2.14867106 -0.99304726 4.31482945 1.182E-9 2.6419999999E-9 5.909E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.386E-7 0.0000016519999999 0.000003693 0.000008258 0.00001846 0.00004129 0.000092319999999 7727-21-1 24412 144207996 Potassium persulfate [K+].[K+].O=S(=O)([O-])OOS([O-])(=O)=O Tox21_200798 -NCGC00258034-01 196730539 tox21-ror-cho-viability-p1 set3 4 0.85234961 1.51840303 -0.93966359 -7.61840741 -1.65435662 -7.5518891 -7.52197822 -0.99281242 1.66596861 1.52744365 2.27696456 2.64487754 -3.78728282 -0.13091486 1.15937206 1.19E-9 2.661E-9 5.949E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003718 0.000008314 0.00001859 0.00004157 0.000092959999999 27060-75-9 117915 144207678 A A 1-Bromo-4-methoxy-2-methylbenzene Cc1cc(OC)ccc1Br Tox21_200480 -NCGC00257847-01 196730545 tox21-ror-cho-viability-p1 set3 4 9.6786896923 -9.852484588 0 -9.852484588 3.1319983358 0.911581635 0.0003382063 0.71556265 -1.47340636 -0.29822162 -0.22861953 -2.48357174 1.1571142 0.70621414 0.44989625 -0.76341847 0.85811536 0 -3.00986307 -9.87707049 -9.28214224 1.17324225 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.9479999999E-8 6.591E-8 1.474E-7 3.295E-7 7.369E-7 0.000001648 0.000003684 0.000008239 0.00001842 0.00004119 0.00009211 13608-87-2 26132 144207491 A A 2',3',4'-Trichloroacetophenone Clc1ccc(C(C)=O)c(Cl)c1Cl Tox21_200293 -NCGC00258451-01 196730549 tox21-ror-cho-viability-p1 set3 4 5.6037702492 9.599388748 -2.599388748 7 2.3331733767 0.6484546989 0.0772323492 -3.72088387 -2.31297073 2.72464915 -4.34520483 2.19755137 -3.95161128 -5.91615729 -5.63541538 -4.00362287 -2.56132927 1.43817338 2.74978851 9.88036169 5.03532866 -5.84719719 1.208E-9 2.7009999999E-9 6.0389999999E-9 1.3499999999E-8 3.02E-8 6.752E-8 1.51E-7 3.376E-7 7.549E-7 0.0000016879999999 0.0000037739999999 0.0000084399999999 0.00001887 0.0000422 0.00009436 34176-52-8 98613 144208095 C D 2-Hydrazino-4-phenylthiazole NNc1nc(cs1)c2ccccc2 Tox21_200897 -NCGC00357143-01 196712044 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -19.6263761319 2 -17.6263761319 4.9549173134 0.5469388603 0.1384923647 -1.5676026 -0.88376656 -1.48033836 1.8798277 4.17039221 2.32613853 3.6019983 6.28615791 0.68757252 -0.95483268 -0.42860552 1.71067258 1.63496198 10.32018123 -13.02198011 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 623-36-9 12177 251919927 F 2-Methylpent-2-enal CC(=CCC)C=O Tox21_303885 -NCGC00091643-08 196712040 tox21-ror-cho-viability-p1 set2 -2.4 61.130564862 -28.623923524 0.5 -28.123923524 3.6272481694 0.8767368419 0.0009024078 -2.22919713 0.6173915 -0.29028204 0.21125042 5.04908461 -1.25005655 -2.49652763 4.35183844 0.27960123 -0.05346799 0.56706854 -3.00058184 2.27991321 -5.18345557 -23.01993627 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00357283-01 196712048 tox21-ror-cho-viability-p1 set2 4 -5.68671262 -1.80050119 -5.84645156 -1.04342678 -0.23937875 -1.86876649 -1.88957901 -6.43882483 -5.79704306 -8.07390902 0.452172 -9.34065149 1.32127782 -0.64328425 -5.76451196 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4719-04-4 104556 251919683 Fns 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanol OCCN1CN(CN(C1)CCO)CCO Tox21_303727 -NCGC00357203-01 196712059 tox21-ror-cho-viability-p1 set2 2.4 76.9588215421 19.321469568 0.678530432 20 4.9549173134 0.8141781076 0.0058941701 1.52486533 -0.6668554 0.57057684 2.33335557 2.5478596 -1.06713361 2.1537682 2.86555978 -1.83065575 -0.01148588 0.68047194 0.4848828 3.13394253 -2.35122464 16.60166432 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 35958-30-6 118899 251919745 A Tetrabutyl ethylidenebisphenol CC(C)(C)c2cc(cc(C(C)c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)c2O)C(C)(C)C Tox21_303979 -NCGC00163906-02 196712456 tox21-ror-cho-viability-p1 set2 4 -3.29668043 -3.23568815 -0.99203563 -1.57384327 -0.24856706 -1.90005983 -3.32358034 0.00732756 0.5194621 -3.48982203 -1.52084288 -0.82270223 -1.25680491 -1.34148298 -0.13115067 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00253721-01 196712460 tox21-ror-cho-viability-p1 set2 4 -0.73748453 -5.02663789 1.11856331 1.46542121 -5.45450535 0.8683649 -5.05289482 -4.90192123 -0.93136391 1.5280976 0.64027818 1.36669523 1.08927724 -0.29283374 1.50864763 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 620-20-2 12103 170466770 F C 1-Chloro-3-(chloromethyl)-benzene ClCc1cc(Cl)ccc1 Tox21_113840 -NCGC00253576-01 196712476 tox21-ror-cho-viability-p1 set2 4 2.21678015 2.50436086 -1.61655823 2.4267474 -0.69535623 2.68190112 0.86121893 1.77255875 2.87480947 0.85261744 1.19271457 2.06528911 3.08538638 1.14813774 0.97300805 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123013-22-9 135410 170465753 A A Amelometasone COCC(=O)[C@]3(OC(=O)CC)[C@@]4(C)C[C@H](O)C2(F)[C@@H](CCC1=CC(=O)C=C[C@@]12C)[C@@H]4C[C@@H]3C Tox21_113719 -NCGC00263473-01 196712867 tox21-ror-cho-viability-p1 set2 4 -0.98686348 1.14588357 -0.15960511 -0.11179474 -0.59111363 0.56283052 0.10817666 0.14972995 2.03263415 1.89313607 0.68141792 2.08205604 1.64027997 1.87903026 2.67297311 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5072-45-7 6420071 170466506 Z cis-Nanophine hydrochloride Cl.C[C@@H]1CCC[C@H](C)N1 Tox21_110546_1 -NCGC00183828-01 196712875 tox21-ror-cho-viability-p1 set2 4 0.51028555 1.17018848 1.48810377 1.38343653 0.74522306 1.01713979 1.01815604 -0.15748782 1.63742227 1.50176344 -1.74049035 -1.22258104 -1.17376587 0.92273434 -1.70803788 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3818-37-9 71467 144206870 Ac F Phenoxypropazine CC(COc1ccccc1)NN Tox21_113319 -NCGC00017366-08 196712877 tox21-ror-cho-viability-p1 set2 4 0.88818937 -0.17308687 0.64818577 1.74093892 -0.0123785 0.66705655 -1.78209681 -0.63851754 -0.85739736 0.41261685 0.49164661 -0.39482922 0.23575216 2.04525868 1.99096299 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66104-23-2 47812 170465250 A Pergolide methanesulfonate CS(=O)(=O)O.CSC[C@@H]1C[C@@H]2c3cccc4ncc(C[C@H]2N(C1)CCC)c34 Tox21_110820_1 -NCGC00273564-01 196713291 tox21-ror-cho-viability-p1 set2 4 -2.75011561 -6.68692809 -5.21100582 -0.71827262 -3.14728669 -3.54712103 -1.32512124 -0.61615291 -0.98829363 -2.16102848 -0.13206276 0.39142144 -0.64353779 -1.48313134 1.98697669 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56741-95-8 65457 170465913 A Bropirimine BrC1=C(NC(N)=NC1=O)c2ccccc2 Tox21_112665_1 -NCGC00271596-03 196713301 tox21-ror-cho-viability-p1 set2 4 -6.87105672 -3.86704486 -4.19730503 -3.32034863 -4.78789753 -1.75929253 -3.77336183 -6.38792389 -1.61544733 -3.68754258 -1.11812414 -3.09811385 -0.5577117 -5.01338884 -8.4090923 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 107868-30-4 60198 170464628 A Exemestane O=C3C=C4C(=C)C[C@@H]1[C@H](CC[C@]2(C)C(=O)CC[C@@H]12)[C@@]4(C)C=C3 Tox21_111499_1 -NCGC00259420-01 196709576 tox21-ror-cho-viability-p1 set2 4 0.0017439399 -10.087992228 10 -0.087992228 1.0999999999 0.4697791241 0.2101290421 7.10680606 1.52351771 4.96043831 -0.36908687 -0.86008755 1.13816442 -0.49209416 0.31119168 4.12840703 -0.01312852 1.47688781 -3.40666019 -1.18309575 0.36245269 0.13873906 1.1919999999E-9 2.6649999999E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004163 0.000093099999999 95-74-9 7255 144209069 A A 3-Chloro-4-methylaniline Nc1cc(Cl)c(C)cc1 Tox21_201871 -NCGC00095089-10 196722678 tox21-ror-cho-viability-p1 set3 4 0.084126743 16.442062732 -13.442062732 3 1.34431 0.6664006765 0.0547044974 -1.79233227 -16.36594888 -14.70446848 -17.33332292 -19.11838561 -7.68303399 -0.19990902 -3.9149936 -3.83702565 2.72162712 5.90215513 0.01217021 -1.10964443 2.76414183 11.08586416 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 86386-73-4 3365 170464782 A Fluconazole OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F Tox21_111419_1 -NCGC00259445-01 196721862 tox21-ror-cho-viability-p1 set3 4 -10.95007401 -6.09589965 -4.3075993 -3.66645564 -8.89110052 -10.89491988 -8.92291159 -16.94242238 -6.41741198 -4.61537861 -11.71904457 -10.01931384 -8.53339642 -0.81828616 -8.32412869 1.193E-9 2.6679999999E-9 5.9659999999E-9 1.3339999999E-8 2.9829999999E-8 6.67E-8 1.4919999999E-7 3.335E-7 7.458E-7 0.000001668 0.0000037289999999 0.0000083379999999 0.00001864 0.000041689999999 0.000093219999999 40487-42-1 38479 144209094 A A Pendimethalin [O-][N+](=O)c1c(C)c(C)cc([N+]([O-])=O)c1NC(CC)CC Tox21_201896 -NCGC00259914-01 196722266 tox21-ror-cho-viability-p1 set3 -3 77.0370913869 -53.2621774036 -4.90786316 -58.1700405636 4.9549173134 0.9102074309 0.0001871933 -7.72233832 -0.6931146 -4.50889695 2.91193274 -3.8868319 -8.20322244 -5.74412843 -7.81996224 -7.80114396 -3.87939499 -6.27622694 -6.80858326 -6.07054904 -3.02780091 -46.16669886 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.000041259999999 0.000092249999999 115-29-7 3224 144209563 Endosulfan ClC2=C(Cl)C3(Cl)C1COS(=O)OCC1C2(Cl)C3(Cl)Cl Tox21_202365 -NCGC00167533-02 196722671 tox21-ror-cho-viability-p1 set3 4 0.0000014146 65.00588501 47.9356107 1.04908645 1.49082861 1.11817967 -0.23031836 -1.18722452 0.90332712 -3.19453749 -5.19613623 -4.36224558 -8.05271049 -11.47596767 -10.14500361 0.12450205 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1193386-64-9 23581791 170465607 A Vardenafil O=C(O)C(O)(CC(=O)O)CC(=O)O.CCN1CCN(CC1)S(=O)(=O)c4cc(C2=NC(=O)c3c(C)nc(CCC)n3N2)c(OCC)cc4 Tox21_112530_1 -NCGC00249918-01 196722683 tox21-ror-cho-viability-p1 set3 4 21.1316824289 -15.665680208 -2 -17.665680208 0.7999999999 0.5780926469 0.1142752245 -3.22359819 -3.281013 0.18896287 -0.0989689 -2.00546879 -4.61086445 -8.40709918 -4.29843462 -1.31847967 -5.88772146 -0.81345252 -6.43904598 -5.47313802 -9.29069601 -13.88806684 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2236-31-9 102232 170465876 F A Estriol tripropionate CCC(=O)Oc3cc4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2C[C@@H](OC(=O)CC)[C@@H]1OC(=O)CC)c4cc3 Tox21_113694 -NCGC00091695-03 196723093 tox21-ror-cho-viability-p1 set3 4 0.2984929481 7.7599010001 1.7400989999 9.5 4.9549173134 0.4219992222 0.2512046389 0.23305076 -0.45965767 11.28596022 7.60153011 0.28676674 -0.35486544 -0.4879223 -1.0499175 8.95904879 10.142869 13.95767297 7.04964918 14.04157269 3.21564742 7.06935216 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112-24-3 5565 170465257 Z Triethylenetetramine NCCNCCNCCN Tox21_111162_1 -NCGC00253664-01 196723104 tox21-ror-cho-viability-p1 set3 4 2.1131682429 8.712720044 0.287279956 9 4.9549173134 0.6982818875 0.0391681761 -1.58170645 2.24153372 2.77186905 2.36075834 1.84034316 -3.09393337 -0.09746083 -1.13765185 -0.41465862 -1.16932766 2.60242444 11.40617859 7.44906626 3.51550538 12.69357743 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14205-39-1 84253 170466714 F B Methyl 3-aminobut-2-enoate CC(N)=CC(=O)OC Tox21_113788 -NCGC00091663-03 196723106 tox21-ror-cho-viability-p1 set3 4 27.3060203028 -9.1575784319 4.5 -4.6575784319 2.3331733767 0.4017665742 0.2713858082 5.28227323 13.08900116 3.85143054 3.03001458 1.81573991 1.81808942 -0.2701847 2.70221876 7.66336197 5.00767514 7.44619491 -0.02379402 4.06877909 -3.45108554 -3.88131536 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00254406-01 196720675 tox21-ror-cho-viability-p1 set3 4 -1.45394849 11.29121378 0.9317796 11.32505121 -3.11245971 3.38116956 1.4438908 3.19101703 1.00617816 3.29915454 11.48288558 -1.313681 0.25465431 2.34638682 0.27404058 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 556-67-2 11169 144210865 FC Octamethylcyclotetrasiloxane C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 Tox21_300547 -NCGC00254166-01 196720266 tox21-ror-cho-viability-p1 set3 4 2.4336516212 9.736333456 0.763666544 10.5 4.9549173134 0.3509543087 0.3345254917 -2.96673728 9.28733393 6.38496742 -2.58438679 -6.03027788 12.67707393 -4.55846751 -5.9103596 4.3262108 -2.07300101 13.09948093 12.67188784 11.61614521 4.85950756 4.26586377 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-43-3 6641 144210389 A A Dicumyl peroxide CC(C)(OOC(C)(C)c1ccccc1)c2ccccc2 Tox21_300069 -NCGC00254734-01 196720275 tox21-ror-cho-viability-p1 set3 4 0.0021689943 -16 19 3 0.7999999999 0.7042479399 0.0367717724 11.65489044 14.27136222 7.76062285 2.33453927 4.62239606 1.52837774 4.64691251 3.71088434 4.13697816 6.60424756 4.33947697 1.56547594 2.84165444 3.11369179 3.11786727 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23564-05-8 3032791 144211147 A A Thiophanate-methyl S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC Tox21_300830 -NCGC00262955-01 196705169 tox21-ror-cho-viability-p1 set1 4 -0.64829867 0.08333818 0.32823103 -7.01927696 -7.30486597 -0.10192638 0.33957273 0.73186502 0.20946519 -1.37813184 -1.66601668 0.88743692 -0.97654633 0.74346132 0.0338494 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 485-89-2 10239 170466564 A F Oxycinchophen O=C(O)c1c3ccccc3nc(c1O)c2ccccc2 Tox21_113947 -NCGC00025212-08 196704749 tox21-ror-cho-viability-p1 set1 -1.1 4.2163249602 -77.964776862 -0.191581248 -78.15635811 3.0654483358 0.9609604861 0.0000021376 1.00032816 -1.33125554 0.96741525 -2.71075731 -2.87540656 1.77816748 -1.93623521 0.10567994 0.15937131 -2.49675888 -5.14740921 -32.32733925 -84.75614934 -85.137645 -61.71585287 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56-25-7 6708701 170465704 F Cantharidin O=C2OC(=O)[C@]3(C)C1CCC(O1)[C@]23C Tox21_110326_1 -NCGC00160663-03 196705149 tox21-ror-cho-viability-p1 set1 4 -0.18625952 0.89485046 0.80325197 0.43672244 0.06110109 1.89129093 0.23936371 0.12012737 2.9363059 0.62627955 0.37512858 0.29206202 0.80394158 0.86099278 3.71372074 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21221-18-1 36663 170466368 A Flazalone O=C(C1CN(C)CCC1(O)c2ccc(F)cc2)c3ccc(F)cc3 Tox21_111968_1 -NCGC00262966-01 196705166 tox21-ror-cho-viability-p1 set1 4 -0.54527057 -2.41166985 -2.45679692 -1.80446208 -0.92463607 0.62786714 1.86348607 1.11145624 -0.823618 -2.13747567 0.23271592 -3.80119866 -2.33190055 -1.85430655 2.76090215 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103775-14-0 55331 170466490 B F Moexiprilat O=C(O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2Cc3cc(OC)c(OC)cc3C[C@H]2C(=O)O Tox21_113957 -NCGC00259518-01 196705567 tox21-ror-cho-viability-p1 set1 4 0.0048656512 7.005018908 -5.505018908 1.5 4.9549173134 0.4448585959 0.2311493983 -2.43456509 -9.17084909 0.46744702 2.50509759 4.39420947 -1.04227023 2.83477023 2.76701443 -1.60292142 -0.50486843 3.36225055 -2.30942918 4.37416252 -2.45818865 2.78024586 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004128 0.00009231 35367-38-5 37123 144209167 A A Diflubenzuron Clc2ccc(NC(=O)NC(=O)c1c(F)cccc1F)cc2 Tox21_201969 -NCGC00259421-01 196705568 tox21-ror-cho-viability-p1 set1 4 -2.04716497 1.80583335 -7.12333129 -4.37800386 -1.59773258 0.60017927 1.2123769 1.13305749 -1.99658744 0 -3.07121924 -3.01813522 2.33216425 -0.37497492 -9.64880356 1.167E-9 2.609E-9 5.8339999999E-9 1.304E-8 2.917E-8 6.522E-8 1.458E-7 3.261E-7 7.2919999999E-7 0.000001631 0.000003646 0.000008153 0.00001823 0.000040759999999 0.00009115 126-73-8 31357 144209070 A A Tributyl phosphate CCCCOP(=O)(OCCCC)OCCCC Tox21_201872 -NCGC00090986-03 196705582 tox21-ror-cho-viability-p1 set1 -3 69.008347349 -45.6599754604 1.8361285874 -43.823846873 3.6772481694 0.8288078725 0.0040763682 -8.17444905 -0.00382014 1.68127315 6.15448873 1.99005123 5.14482706 3.95764148 1.41409911 3.83117586 10.36400821 -0.18407911 -1.61529809 -0.27733991 -3.70489404 -32.91342004 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00258791-01 196705981 tox21-ror-cho-viability-p1 set1 4 1.61489892 1.5493584 0.85424779 -1.35603559 -1.92944417 -0.44412625 -1.86722883 7.02777639 1.40966943 -10.41874636 -0.54779769 0.70494951 -1.04146788 7.55172737 0.12859604 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3079999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.000008269 0.000018489999999 0.00004135 0.00009245 599-79-1 5359476 144208437 A A Sulfasalazine O=S(=O)(Nc1ccccn1)c3ccc(/N=N/c2cc(C(=O)O)c(O)cc2)cc3 Tox21_201239 -NCGC00259069-01 196705988 tox21-ror-cho-viability-p1 set1 4 -0.09221273 -1.63979989 -0.65035983 -0.85912162 -1.88986655 -0.46769609 -2.04169494 -0.35129382 1.35131353 0 -3.73164217 -0.56968468 -4.05138943 -7.83773658 -8.05771121 1.177E-9 2.6319999999E-9 5.8849999999E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.356E-7 0.000001645 0.0000036779999999 0.000008225 0.00001839 0.000041119999999 0.00009195 131-18-0 8561 144208717 A A Dipentyl phthalate O=C(OCCCCC)c1ccccc1C(=O)OCCCCC Tox21_201519 -NCGC00258829-01 196705990 tox21-ror-cho-viability-p1 set1 4 0.0044070521 19.75343562 -21.75343562 -2 0.8999999999 0.6020317299 0.0956133928 -16.46119635 -16.03614175 -7.84194444 -8.67930213 -5.32655094 0.05457672 -0.70147051 -10.06099002 -9.02311841 -3.25142355 -0.31656156 0.09793202 -6.95406643 3.26953876 1.00279406 1.198E-9 2.68E-9 5.992E-9 1.34E-8 2.996E-8 6.6989999999E-8 1.4979999999E-7 3.35E-7 7.4899999999E-7 0.000001675 0.000003745 0.000008374 0.00001873 0.00004187 0.00009363 636-21-5 12484 144208475 A Bc 2-Methylaniline hydrochloride Cl.Cc1ccccc1N Tox21_201277 -NCGC00257716-01 196702677 tox21-ror-cho-viability-p1 set1 4 0.87849777 -0.50330351 0.41537359 -1.79385625 1.89049826 2.75060929 -0.07195705 -0.46302464 2.60552908 -0.71150028 4.34936614 4.71561856 0.01000079 -0.7660326 3.0162168 1.1699999999E-9 2.6159999999E-9 5.85E-9 1.3079999999E-8 2.925E-8 6.54E-8 1.462E-7 3.27E-7 7.3119999999E-7 0.000001635 0.000003656 0.000008176 0.00001828 0.00004088 0.00009141 105-45-3 7757 144207360 A Ac Methyl acetoacetate CC(=O)CC(=O)OC Tox21_200162 -NCGC00258554-01 196702270 tox21-ror-cho-viability-p1 set1 4 0.4885416859 16.1250847439 -10.6250847439 5.5 1.826479391 0.6718783085 0.0517685557 -17.18757062 -12.09927187 -0.61116308 -8.22704979 -14.191175 -9.16216716 -8.97055886 -8.30099544 7.01728991 -4.35441179 7.94111515 1.2613339 12.94945143 4.05332812 3.92351219 1.1859999999E-9 2.6519999999E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001853 0.000041439999999 0.000092669999999 563-68-8 11247 144208199 A Thallium acetate [Tl+].[O-]C(C)=O Tox21_201001 -NCGC00091146-04 196702273 tox21-ror-cho-viability-p1 set1 -2.4 6.8589621897 -22.5117113319 -3.5 -26.0117113319 0.9999999999 0.8140355201 0.0058469419 -3.91996254 -1.69329573 -4.44491011 -4.91213463 -3.62013487 -4.00508972 -12.60687798 3.54897851 -5.20897494 -3.88736674 -14.34187218 -16.48105796 -20.79963113 -19.20946102 -26.67642611 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00091650-03 196714534 tox21-ror-cho-viability-p1 set2 4 0.0611305649 4.4477903119 -2.4477903119 2 4.9549173134 0.3285857559 0.3581836462 -5.78982526 -1.17605823 0.76283507 -2.66223531 -3.80429866 0.34239663 2.48789108 2.83035713 -1.06197157 0.30020992 2.94990285 -4.4490126 7.74799389 3.18611843 -12.31022228 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00091112-09 196713308 tox21-ror-cho-viability-p1 set2 -1.1 7.4978038628 -95.3644179198 -3.241348009 -98.6057659288 1.6604358099 0.9890846055 1.4E-9 -1.17191289 -0.05470727 -4.02917654 -1.74110458 -1.53006258 -3.89064223 -2.75480815 -5.83973012 -4.6213087 -9.14984305 -12.24957382 -29.73928338 -53.96061031 -91.81170012 -89.63087122 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 548-62-9 11057 170464787 B Methylrosaniline chloride [Cl-].C/[N+](C)=C1\C=C\C(C=C1)=C(/c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C Tox21_111084_1 -NCGC00254302-01 196714127 tox21-ror-cho-viability-p1 set2 -2.2 61.130564862 -39.405142852 -3 -42.405142852 2.7202212143 0.8589265144 0.0017003036 -0.40650116 -2.75294383 0.49586475 -0.01972098 -11.81284814 -4.92335418 -2.85835748 -3.75532951 1.21935137 -1.99032887 -5.32743535 -3.95981651 -6.56528889 -11.18265125 -33.25428571 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 136-77-6 3610 144210675 Ac Ac 4-Hexylresorcinol Oc1cc(O)ccc1CCCCCC Tox21_300357 -NCGC00254566-01 196714137 tox21-ror-cho-viability-p1 set2 4 0.8634921799 6.160815396 -8.514444476 -2.35362908 3.5117481694 0.5553359052 0.132301303 -7.55788818 -5.24820477 -4.29790424 -14.17870373 -5.1360731 -10.31867381 -12.26039695 -9.10170383 -5.66045952 -3.29221601 -3.13850829 -1.5446909 -1.80707647 -3.50334874 -2.70642597 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55-38-9 3346 144210975 D Fenthion Cc1cc(ccc1SC)OP(=S)(OC)OC Tox21_300658 -NCGC00254467-01 196714536 tox21-ror-cho-viability-p1 set2 -2.1 48.5577336745 -112.5810723236 -1.249355548 -113.8304278716 1.713743691 0.996319937 0 -1.39439989 0.58056649 -1.89803823 1.25838285 -0.10037735 -0.26717856 -1.80707859 0.17214709 -0.77527651 -3.70610941 -5.24142439 -7.49532246 -18.57327481 -48.38157905 -86.23517263 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2634-33-5 17520 144210807 A A 1,2-Benzisothiazolin-3-one O=C2NSc1ccccc12 Tox21_300489 -NCGC00255056-01 196714539 tox21-ror-cho-viability-p1 set2 4 -1.28328279 -2.27046341 -0.90820279 0.18725701 0.29104123 0.62356922 -1.35521875 0.24610937 -0.4849985 0.32317292 1.25812598 0.15641169 4.96107716 5.49761373 0.22213609 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111109-77-4 86302 144211475 A Dipropylene glycol dimethyl ether COCCCOCCCOC Tox21_301158 -NCGC00254695-01 196714540 tox21-ror-cho-viability-p1 set2 4 0.84312697 1.31571182 2.79990502 2.63697803 1.84323151 1.15361858 1.37660257 1.49980722 1.95661445 5.1133913 2.82428946 3.65897171 4.8378086 2.57207345 2.19731942 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1194-65-6 3031 144211108 F Dichlobenil N#Cc1c(Cl)cccc1Cl Tox21_300791 -NCGC00254970-01 196714548 tox21-ror-cho-viability-p1 set2 4 -0.21474679 -0.23114502 -0.16366978 2.35045996 -0.78595957 1.55789463 2.96852009 1.05906419 -0.12337519 0.82792536 1.00910737 4.74604032 8.27617624 2.35195437 8.52618087 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1873-88-7 6327366 144211386 FC 1,1,1,3,5,5,5-Heptamethyltrisiloxane C[Si](C)(C)O[SiH](C)O[Si](C)(C)C Tox21_301069 -NCGC00255030-01 196714556 tox21-ror-cho-viability-p1 set2 4 -0.4670373 -1.70656608 0.04134476 3.2367407 -1.37107334 0.59143709 0.89990316 -0.90812688 3.07620973 2.28408231 1.37071027 3.92871734 1.83145701 2.30604874 6.70874417 6.312E-10 1.4109999999E-9 3.156E-9 7.056E-9 1.578E-8 3.5279999999E-8 7.889E-8 1.764E-7 3.945E-7 8.821E-7 0.000001972 0.00000441 0.000009862 0.00002205 0.00004931 109-73-9 8007 144211448 D Butylamine CCCCN Tox21_301131 -NCGC00260556-01 196711665 tox21-ror-cho-viability-p1 set2 4 -2.93528462 -14.28893528 -15.55576288 -10.35268 -26.18932845 -71.8231451 -12.40760511 -35.24581367 0 -26.30934384 -22.04464838 -0.7527711 -55.82899358 -4.77392125 -2.86540114 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49452 144210209 M M NTP Mix64 CT1 62-EQP Tox21_203011 -NCGC00260335-01 196711231 tox21-ror-cho-viability-p1 set2 -2.4 1.515811375 -49.0378549088 -4.019496304 -53.0573512128 2.7202212143 0.6053560043 0.1066467143 -0.30791505 -19.58065903 -19.55323322 -8.56546502 -2.41708365 -0.08601871 -1.64879486 0 0 -7.14679791 -12.27507257 0 -13.56570192 -40.19496304 -15.76377248 5.964E-11 1.3329999999E-10 2.9819999999E-10 6.667E-10 1.491E-9 3.334E-9 7.454E-9 1.667E-8 3.7269999999E-8 8.3339999999E-8 1.864E-7 4.167E-7 9.3179999999E-7 0.000002084 0.000004659 915-67-3 5359521 144209987 F Amaranth [Na+].[Na+].[Na+].[O-]S(=O)(=O)c4ccc(/N=N\c1c2ccc(cc2cc(c1O)S([O-])(=O)=O)S([O-])(=O)=O)c3ccccc34 Tox21_202789 -NCGC00357072-01 196711244 tox21-ror-cho-viability-p1 set2 4 -2.37629828 -9.09877563 -16.69135438 -9.67367459 -6.34631398 -5.98585463 -23.44735417 -48.26814673 -6.8491765 -10.55333718 0 -14.47651263 -2.98015674 -41.58591891 -7.92981943 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 175178-82-2 2051 251919837 A Tyrphostin Clc1cccc(c1)Nc3ncnc2cc(OC)c(cc23)OC Tox21_303781 -NCGC00015680-18 196697763 tox21-ror-cho-viability-p1 set1 4 -4.92635 -1.7857862 -3.79151334 -0.33513462 -0.95463936 -5.49512055 -5.82062989 0.45343179 1.39353853 -1.08268018 0.12636618 -0.28588544 -0.50316554 -2.07049729 1.27867395 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 73-31-4 896 170465589 A Melatonin CC(=O)NCCc2cnc1ccc(cc12)OC Tox21_110195_1 -NCGC00260019-01 196723915 tox21-ror-cho-viability-p1 set3 4 0.45177615 4.62657528 -0.98006339 7.00046715 8.21419578 6.49821532 6.92610066 -2.03930766 2.9446422 6.72480462 4.62176134 -0.81025153 7.13170099 -2.28364209 9.0885348 5.736E-10 1.283E-9 2.8679999999E-9 6.413E-9 1.434E-8 3.206E-8 7.17E-8 1.603E-7 3.585E-7 8.016E-7 0.000001792 0.0000040079999999 0.000008962 0.000020039999999 0.00004481 35065-27-1 37034 144209668 A A 2,2',4,4',5,5'-Hexachlorobiphenyl Clc2cc(c1cc(Cl)c(Cl)cc1Cl)c(Cl)cc2Cl Tox21_202470 -NCGC00091261-03 196723922 tox21-ror-cho-viability-p1 set3 4 0.216899429 17.584142184 -5.584142184 12 0.2 0.601383164 0.0969435763 -3.40345182 1.69810823 -0.29095387 0.93901817 4.75792531 -1.21233984 3.36164362 7.3322676 3.62718454 2.22640445 6.60370081 6.08133216 4.71274512 5.15078651 11.79346131 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00090874-04 196697772 tox21-ror-cho-viability-p1 set1 4 98.0689457228 -15.520892076 -2 -17.520892076 0.7 0.5597507491 0.1296907938 -3.33808038 -4.93477638 -1.32873036 0.20574378 -3.57981547 -1.36375729 -0.53186033 -4.54491728 -5.54981333 -2.65134448 -2.03599403 -3.63272932 -5.11830744 -4.37710941 -12.93407673 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00025018-10 196697785 tox21-ror-cho-viability-p1 set1 4 -5.02544406 -2.25532419 -3.43097055 -7.64249125 -5.21068234 -2.40580111 -5.46847434 1.9717794 -7.87878032 -4.113281 -2.10908608 -3.17627928 -0.09174494 0.44494794 -2.06097272 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 146-48-5 8969 170465467 A Yohimbine O=C(OC)[C@H]2[C@@H](O)CC[C@H]3CN4CCc1c5ccccc5nc1[C@@H]4C[C@H]23 Tox21_110019_1 -NCGC00253738-01 196698184 tox21-ror-cho-viability-p1 set1 4 37.5780357627 9.601894856 0.398105144 10 4.9549173134 0.3766993396 0.2972665082 1.08241967 -2.45382356 0.34835908 0.54683262 0.76820636 0.62464718 -1.3152409 1.44555871 8.24476298 -2.05155191 0.82305177 -2.58491238 0.66304215 -1.00536079 8.23622508 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 306-20-7 9376 170466532 A A Fenaclon ClCCC(=O)NCCc1ccccc1 Tox21_113856 -NCGC00183848-01 196698194 tox21-ror-cho-viability-p1 set1 4 0.344244 -1.65933518 -2.26621079 -0.4479212 -0.95550162 -2.54274069 1.30188147 -3.2116331 -3.13010038 -3.24484874 -1.87377379 -0.20201777 0.12487978 -2.41339299 1.51989713 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 145918-75-8 151173 144206819 Z Z Troxacitabine OC[C@H]1OCC(O1)[N@@]2C=CC(N)=NC2=O Tox21_113268 -NCGC00259790-01 196722286 tox21-ror-cho-viability-p1 set3 -1.1 1.2085601611 -89.6805846492 1.0997272799 -88.5808573693 1.9673362061 0.9823456468 2.3E-8 -6.6546947 -6.40237627 1.09881951 2.35634271 2.87015789 2.25758771 2.81830724 -0.42711127 -16.03413906 -69.45627722 -76.5629339 -81.86688099 -84.72120058 -91.13256931 -89.54807359 1.171E-9 2.6189999999E-9 5.856E-9 1.3089999999E-8 2.9279999999E-8 6.547E-8 1.464E-7 3.274E-7 7.3199999999E-7 0.000001637 0.00000366 0.0000081839999999 0.0000183 0.00004092 0.0000915 62-38-4 16682730 144209439 Phenylmercuric acetate CC(=O)O[Hg]c1ccccc1 Tox21_202241 -NCGC00258929-01 196721480 tox21-ror-cho-viability-p1 set3 4 23.9410710993 10.736539568 -4.236539568 6.5 4.9549173134 0.3644350098 0.3062696308 -4.79863146 -17.28044964 5.57089887 -3.15190441 -5.12427553 -6.29335226 -5.39377816 -3.15139748 -4.02562929 -0.15481534 -5.16521313 -1.1524189 -3.74952666 7.78163224 4.50877915 1.164E-9 2.603E-9 5.8199999999E-9 1.301E-8 2.91E-8 6.507E-8 1.4549999999E-7 3.254E-7 7.275E-7 0.0000016269999999 0.0000036379999999 0.000008134 0.00001819 0.00004067 0.00009094 814-80-2 13144 144208576 A A Calcium lactate [Ca+2].CC(O)C([O-])=O.[O-]C(=O)C(C)O Tox21_201378 -NCGC00091839-03 196721494 tox21-ror-cho-viability-p1 set3 4 15.3553036427 -20.019316844 2 -18.019316844 4.9549173134 0.7693568865 0.0142266379 3.42960924 0.3668552 -8.81727589 3.35453476 0.92271338 0.77176674 3.25604076 1.66058431 1.92036562 1.57754977 4.68605672 10.36293092 -14.53830592 -15.36751816 -18.76609737 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00259504-01 196721500 tox21-ror-cho-viability-p1 set3 4 0.0098958159 8.685378304 -7.685378304 1 4.9549173134 0.4673097195 0.2088330068 -6.35728321 -7.38420262 -8.85244708 -0.22192702 2.30427946 0.06798819 2.5032731 -10.15448192 2.65161939 -0.91908871 1.69886714 -1.98290164 4.4965463 5.27079006 2.31291948 1.2009999999E-9 2.686E-9 6.005E-9 1.3429999999E-8 3.003E-8 6.714E-8 1.501E-7 3.3569999999E-7 7.507E-7 0.000001679 0.000003753 0.000008393 0.000018769999999 0.00004196 0.000093829999999 1563-66-2 2566 144209153 A A Carbofuran CNC(=O)Oc1cccc2CC(C)(C)Oc12 Tox21_201955 -NCGC00259059-01 196706816 tox21-ror-cho-viability-p1 set1 4 1.89310417 0.04283928 1.10089155 1.42085713 0.32153567 -4.83753099 -5.34817339 0.26624198 4.4695854 -6.83586145 0.05442503 -2.25152608 0.29856254 1.10917785 4.74257283 1.216E-9 2.719E-9 6.079E-9 1.359E-8 3.0389999999E-8 6.796E-8 1.5199999999E-7 3.3979999999E-7 7.599E-7 0.000001699 0.000003799 0.0000084949999999 0.000018999999999 0.000042479999999 0.00009498 614-00-6 11957 144208706 AC D Nitrosomethylaniline O=NN(C)c1ccccc1 Tox21_201508 -NCGC00259633-01 196706811 tox21-ror-cho-viability-p1 set1 4 -0.338876 2.36863808 -2.29367154 5.22009327 3.49716556 4.92037015 4.68729805 -0.33751349 -0.36751152 12.57275725 -3.75807741 0.56756801 1.46415317 3.22337866 0.6376951 1.1449999999E-9 2.56E-9 5.724E-9 1.28E-8 2.8619999999E-8 6.399E-8 1.431E-7 3.2E-7 7.155E-7 0.0000016 0.000003577 0.0000079989999999 0.00001789 0.000039999999999 0.00008943 78-67-1 6547 144209282 A F 2,2'-Azobis(2-methylpropanenitrile) N#CC(C)(C)/N=N/C(C)(C)C#N Tox21_202084 -NCGC00259983-01 196706817 tox21-ror-cho-viability-p1 set1 4 3.29876965 2.99592834 1.08126912 -0.48000407 0.87214679 0.66325187 3.46907201 -2.42183777 -1.05513886 8.37800882 4.14544821 4.39211056 1.9458363 2.81244193 1.45510807 1.2049999999E-9 2.695E-9 6.027E-9 1.348E-8 3.013E-8 6.738E-8 1.507E-7 3.3689999999E-7 7.533E-7 0.0000016839999999 0.0000037669999999 0.000008422 0.000018829999999 0.000042109999999 0.00009417 123-17-1 61056 144209632 I A 2,6,8-Trimethyl-4-nonanol CC(C)CC(C)CC(O)CC(C)C Tox21_202434 -NCGC00259038-01 196706827 tox21-ror-cho-viability-p1 set1 4 3.67569242 -5.30064796 -0.65226523 0.1560067 -2.34566414 2.31884483 0.5736466 0.01771348 0.04472289 11.7600391 1.22580609 0.58763808 0.64089225 0.37751038 -0.03790078 1.188E-9 2.656E-9 5.9389999999E-9 1.3279999999E-8 2.969E-8 6.64E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.000003712 0.0000083 0.00001856 0.0000415 0.00009279 69-65-8 6251 144208685 A A D-Mannitol O[C@H]([C@H](O)CO)[C@H](O)[C@H](O)CO Tox21_201487 -NCGC00256562-01 196707232 tox21-ror-cho-viability-p1 set1 4 24.3365162115 7.3391333359 -0.3391333359 7 4.9549173134 0.4814100487 0.1972463821 -1.21969244 -0.22185522 -3.80224975 3.38352113 0.0857635 -0.25312698 -0.22321998 4.02356999 3.49398723 -4.44927778 0.63488375 -2.45799617 0.29232217 8.22994425 5.60811728 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 512-56-1 10541 144213057 A Ac Trimethyl phosphate O=P(OC)(OC)OC Tox21_302740 -NCGC00260609-01 196703944 tox21-ror-cho-viability-p1 set1 4 2.13959654 3.20474216 0.21815539 5.87854134 -3.89025791 -1.75921326 3.18991165 1.04935017 3.464455 0.05672837 -1.28385828 1.74958962 4.21398521 2.86805659 0.82562651 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49505 144210262 M M NTP Mix12 AR1 8-EQC Tox21_203064 -NCGC00260652-01 196703929 tox21-ror-cho-viability-p1 set1 4 -0.05439438 -0.94118817 3.65449624 -2.33105963 0.6534511 1.60393091 0.22525153 2.87978464 -0.3281346 -0.08011347 0.5593429 5.57662429 2.66673921 1.70115671 2.19035402 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49548 144210305 M M NTP Mix93 ER AR1 18-EQP Tox21_203107 -NCGC00356941-01 196703930 tox21-ror-cho-viability-p1 set1 4 -4.52789232 -8.03326151 -6.28611587 5.26150063 0.91313653 -6.60284093 3.99723611 -8.52020802 -0.26329677 -5.62288713 -4.50997732 -10.70753732 -7.643618 0.98832787 7.2818356 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-15-9 31245 251919655 F 2-Methylpentanal CC(CCC)C=O Tox21_303754 -NCGC00260300-01 196703939 tox21-ror-cho-viability-p1 set1 4 -0.99688807 -9.30641751 -2.37499786 -0.82280114 -2.46212561 -5.43230714 -5.63645948 -7.55928678 -4.30650029 0.68166438 -0.99340388 -7.99906093 -6.29758221 4.80181193 0.93922222 3.028E-10 6.7699999999E-10 1.514E-9 3.3849999999E-9 7.569E-9 1.693E-8 3.785E-8 8.463E-8 1.892E-7 4.2309999999E-7 9.462E-7 0.000002116 0.0000047309999999 0.00001058 0.00002365 6419-19-8 16698 144209951 F Aminotrimethylene phosphonic acid OP(=O)(O)CN(CP(=O)(O)O)CP(=O)(O)O Tox21_202753 -NCGC00357155-01 196703947 tox21-ror-cho-viability-p1 set1 4 2.55306285 1.59599837 0.36197704 -7.63360785 0.87468588 2.20242758 4.9702355 4.33237111 -0.47933539 1.61898577 4.58646503 -1.00648794 -0.72694787 1.15132201 -1.69085153 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1470-94-6 15118 251919871 Indan-5-ol Oc1ccc2CCCc2c1 Tox21_303902 -NCGC00016055-16 196704341 tox21-ror-cho-viability-p1 set1 4 4.54269508 -1.39133604 -1.26721452 5.02830447 -0.08524727 -0.58276671 4.69110493 -0.13282613 -0.4651843 -1.96233606 0.10393969 -4.99563234 -0.33277525 -0.37030229 7.02448534 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 738-70-5 5578 170464633 B Trimethoprim Nc2nc(N)ncc2Cc1cc(OC)c(OC)c(OC)c1 Tox21_110291_1 -NCGC00025236-02 196704350 tox21-ror-cho-viability-p1 set1 4 3.76131156 0.42360426 0.62319841 -1.02130938 2.6470316 1.86311127 1.33772723 1.69454328 -1.40706285 2.6661091 2.22950303 3.0340822 -1.07026001 1.96977484 3.47513724 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 111686-79-4 60510 170466538 A Remacemide hydrochloride Cl.NCC(=O)NC(C)(Cc1ccccc1)c2ccccc2 Tox21_110956_1 -NCGC00095192-05 196704358 tox21-ror-cho-viability-p1 set1 -2.1 26.6032120037 -102.2393974668 -0.398548653 -102.6379461198 2.8472712143 0.9829444019 1.89E-8 -3.56645287 -0.77402977 -8.5041828 3.21589852 2.52352982 0.14178857 -0.2394106 2.19997415 0.31499004 3.87939522 -1.50890675 0.34922406 -6.18724241 -33.50652924 -85.10609131 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 145158-71-0 5362436 170466887 A Tegaserod maleate N=C(NCCCCC)N\N=C\c2cnc1ccc(cc12)OC Tox21_111481_1 -NCGC00015116-13 196704754 tox21-ror-cho-viability-p1 set1 4 0.09033675 -1.62408274 -2.20860062 1.45023819 -5.30214246 -1.50152402 -1.4486475 -1.11098642 -0.01728419 -0.39380508 0.58761146 -1.33246419 -0.82079428 -1.571547 -0.93228792 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72432-10-1 2196 170465854 A Aniracetam O=C2CCCN2C(=O)c1ccc(OC)cc1 Tox21_110086_1 -NCGC00164246-05 196725640 tox21-ror-cho-viability-p1 set3 4 -0.70225331 -1.05671469 10.28018258 1.06433164 -0.35332594 2.65638586 -1.38591683 -0.30259001 -3.32322896 -4.16327611 -1.71375888 -0.19842542 -1.65283309 0.49971964 1.43422446 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69-65-8 6251 170465566 Z D-Mannitol O[C@H]([C@H](O)CO)[C@H](O)[C@H](O)CO Tox21_112092_1 -NCGC00015430-06 196725223 tox21-ror-cho-viability-p1 set3 4 0.0188336318 8.3282548601 0.6717451399 9 4.9549173134 0.5723212415 0.1331093576 1.96124094 -0.79759591 2.00354022 -1.10687905 2.26544798 9.96254242 6.3461494 14.13136513 11.38675799 15.25342479 3.91705102 5.49434052 10.50590576 3.61006066 3.11840179 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1944-12-3 5702161 170465657 A Fenoterol hydrobromide Br.Oc1cc(cc(O)c1)C(O)CNC(C)Cc2ccc(O)cc2 Tox21_110581_1 -NCGC00166294-03 196725230 tox21-ror-cho-viability-p1 set3 1.1 0.2309988017 58.2262629104 3.7167851279 61.9430480383 1.21 0.9837509353 1.42E-8 5.98730242 6.92710033 4.50608684 1.17102632 4.10671757 5.15052476 9.15297993 11.61535878 35.99420904 38.09061261 51.45315884 60.58111379 57.33314266 60.84660938 64.00317504 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 110871-86-8 60464 170465370 A Sparfloxacin C[C@@H]1CN(C[C@H](C)N1)c2c(F)c(N)c3c(c2F)N(C=C(C3=O)C(=O)O)C4CC4 Tox21_111580_1 -NCGC00025018-10 196725633 tox21-ror-cho-viability-p1 set3 4 3.6649046 1.96595397 0 -5.29066157 10.39396478 4.18389423 3.38203711 9.13319724 1.4170008 -4.05032278 3.37446914 16.1313932 7.67967682 11.47219997 -5.40757309 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 146-48-5 8969 170465467 A Yohimbine O=C(OC)[C@H]2[C@@H](O)CC[C@H]3CN4CCc1c5ccccc5nc1[C@@H]4C[C@H]23 Tox21_110019_1 -NCGC00260191-01 196724481 tox21-ror-cho-viability-p1 set3 4 -3.93354165 3.65107671 0.66028074 0.95439951 4.45666996 -2.74576129 5.23608174 4.51459525 -2.54042494 1.41075636 6.48968581 -1.77890926 -1.98394901 4.07925445 5.45846407 1.187E-9 2.6549999999E-9 5.936E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.3189999999E-7 7.42E-7 0.000001659 0.0000037099999999 0.0000082959999999 0.00001855 0.000041479999999 0.00009276 35935-34-3 11075478 144209841 A A 1-Ethyl-3-methylimidazolium iodide [I-].C[n+]1ccn(CC)c1 Tox21_202643 -NCGC00357085-01 196724472 tox21-ror-cho-viability-p1 set3 4 0.0024336516 11.087864392 -9.087864392 2 3.9294729863 0.4952203049 0.1839287674 -8.40655366 -2.65868191 4.08787618 5.64358811 -0.04589042 4.36638562 1.33449951 4.8463176 2.49925896 -3.70128641 5.26238463 2.55171242 -4.07448679 1.76523844 2.45363931 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-91-1 7113 251919971 A 4'-Acetylbiphenyl O=C(C)c1ccc(cc1)c2ccccc2 Tox21_303801 -NCGC00357001-01 196724476 tox21-ror-cho-viability-p1 set3 4 -4.01610116 -1.55413614 2.14344507 0.92050344 5.45457838 -7.46354712 -1.83343121 -0.98621356 -7.66373574 -2.50884228 -5.55653603 -8.82692739 4.50729227 0.11769423 5.52683849 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 82697-71-0 23681559 251919718 A Clofencet-potassium [K+].[O-]C(=O)C1=C(CC)N(N=CC1=O)c2ccc(Cl)cc2 Tox21_303919 -NCGC00090885-03 196724877 tox21-ror-cho-viability-p1 set3 4 0.0015355304 11.206606932 -9.206606932 2 4.9549173134 0.3425884673 0.3444607516 -6.83883911 2.19063674 1.69921812 3.83727872 6.22376694 -3.3207054 7.67998365 2.01723961 1.50433493 0.68674831 4.90368017 -4.51856817 1.30648907 0.88365433 -6.38144276 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00260071-01 196724882 tox21-ror-cho-viability-p1 set3 -2.2 26.1762591493 -69.766658912 -3.0828466 -72.849505512 2.1876167061 0.9331953923 0.0000401217 -11.40215172 -3.73636483 3.3667194 -8.19216904 -4.05775312 -4.97610924 -6.46940621 -2.01887256 1.85444623 -2.18217834 2.06276135 -1.16300821 -10.80609549 -27.37526191 -57.4617466 5.82E-10 1.301E-9 2.9099999999E-9 6.506E-9 1.455E-8 3.253E-8 7.274E-8 1.627E-7 3.637E-7 8.133E-7 0.0000018189999999 0.000004067 0.000009093 0.000020329999999 0.00004547 148-82-3 460612 144209720 Cc Fc Melphalan O=C(O)[C@@H](N)Cc1ccc(cc1)N(CCCl)CCCl Tox21_202522 -NCGC00260532-01 196724884 tox21-ror-cho-viability-p1 set3 4 0.0019331182 12.84132618 -10.34132618 2.5 1.6435888099 0.5593870095 0.1450476706 -6.95110515 -1.03515377 -0.71445075 1.7461408 1.55704813 4.31412442 4.64501949 5.71513032 2.28717361 5.8173206 2.84985141 1.89869114 -1.66908395 -1.8762836 -3.54916345 1.18E-9 2.6389999999E-9 5.9009999999E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.299E-7 7.376E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.0000922 525-82-6 10680 144210185 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_202987 -NCGC00260034-01 196724897 tox21-ror-cho-viability-p1 set3 4 0.2195490218 -5.361553204 2.5 -2.861553204 4.9549173134 0.391984317 0.2971936514 -6.13462767 4.38213784 0.58952362 0.72520036 8.23140737 6.93586563 2.96237352 -4.45392924 -2.89751692 -4.56214887 -2.55698542 -5.23093187 -2.11908917 0.51347199 7.1253509 1.1919999999E-9 2.6659999999E-9 5.9609999999E-9 1.333E-8 2.98E-8 6.664E-8 1.49E-7 3.332E-7 7.451E-7 0.0000016659999999 0.000003726 0.0000083309999999 0.00001863 0.000041649999999 0.000093139999999 1393-63-1 144209683 ND Annatto Tox21_202485 -NCGC00253685-01 196725307 tox21-ror-cho-viability-p1 set3 4 -3.06855565 0 1.78329007 1.46118319 -4.46685187 -3.12315424 -5.87728383 -0.17158081 -2.74266281 -5.31409365 -5.01351931 -3.06417703 0.40911419 -0.41293976 -3.33048351 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1210-35-1 14589 170466691 A A Dibenzosuberone O=C1c3ccccc3CCc2ccccc12 Tox21_113809 -NCGC00247910-02 196713336 tox21-ror-cho-viability-p1 set2 4 -3.719721 -4.26898184 -0.556807 -0.88337599 -2.032508 -4.50826936 -4.46539062 -4.10465925 -5.56331761 0.4522347 -1.1835278 0.65346109 -1.27677998 -1.25333318 -0.50784663 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 109-43-3 7986 170466780 Ac A Dibutyl decanedioate O=C(CCCCCCCCC(=O)OCCCC)OCCCC Tox21_113651 -NCGC00182068-04 196713353 tox21-ror-cho-viability-p1 set2 4 29.8492948118 7.3340764159 -1.3340764159 6 3.2974983358 0.5186361333 0.1672694834 -0.3603872 -3.60196193 -1.0317486 -5.69506368 -1.50354864 -3.06067408 -1.39833515 -1.13411739 0.52989505 -0.86788522 -1.1556478 0.21234593 -0.77305289 0.08611167 4.6424982 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 120066-54-8 60714 170466854 F Gadoteridol [Gd+3].[O-]C(=O)CN1CCN(CCN(CCN(CC(C)O)CC1)CC([O-])=O)CC([O-])=O Tox21_113025_1 -NCGC00091009-05 196712930 tox21-ror-cho-viability-p1 set2 4 -2.45323312 0.9586418 -1.10424474 -2.62394501 -0.77662197 -0.81146319 -0.89991997 -0.06112555 -2.94959083 0.09169538 -0.33044595 -1.22789412 -0.74854015 -4.10593203 -5.59962327 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00179435-06 196712938 tox21-ror-cho-viability-p1 set2 4 -0.16191872 -1.42425939 1.75101656 -0.34708947 -1.17057416 1.94025897 0.20767603 0.2791831 2.46840187 0.40798542 -0.77380358 -1.31314488 2.51516166 2.38509046 1.23270329 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3778-73-2 3690 170464854 A Ifomide O=P1(NCCCl)OCCCN1CCCl Tox21_110539_1 -NCGC00023373-03 196713356 tox21-ror-cho-viability-p1 set2 4 -7.53599686 -7.03590732 -1.91365149 -5.01121177 -4.96437677 -0.87605468 -2.13075343 -3.90076413 -0.92326721 1.45394252 -2.51395688 -2.87710471 1.42429081 -0.1262389 0.97655908 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25122-46-7 32798 170465385 A Clobetasol propionate ClCC(=O)[C@@]4(OC(=O)CC)[C@@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_111414_1 -NCGC00249926-01 196713753 tox21-ror-cho-viability-p1 set2 4 0.0005955717 -13.81586524 15 1.18413476 0.8999999999 0.6494870719 0.0776419033 11.43546929 5.82417939 -0.6798877 0.12808738 2.91118977 0.77041015 2.48733322 2.09831003 1.96302692 1.43149394 1.10058722 1.66656161 0.34755302 0.94051872 5.72918894 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68252-19-7 65502 170466004 A A Pirmenol C[C@H]3CCC[C@@H](C)N3CCCC(O)(c1ccccc1)c2ccccn2 Tox21_113702 -NCGC00160275-03 196713756 tox21-ror-cho-viability-p1 set2 -1.1 1.2990017229 -68.3061201053 3.1273789305 -65.1787411748 3.1924983358 0.9897367421 1E-9 2.35229333 0.17120747 3.96229958 3.84927091 3.97802699 3.93036558 6.68894965 4.34304573 2.90065884 -1.21751654 -13.85727797 -51.95084397 -65.67103012 -70.76347174 -57.644703 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 20004-62-0 5282060 170466395 F Geliomycin Oc5cc1c3c4c(C(=O)c2c(O)cc(O)c(C(=O)C1(C)C)c23)c(O)cc(C)c45 Tox21_111753_1 -NCGC00255017-01 196714169 tox21-ror-cho-viability-p1 set2 -2.2 30.6378586933 -36.0488543161 0.4938796249 -35.5549746912 2.7202212143 0.9859611372 6.1E-9 0.22532428 0.4604414 0.56091941 0.46023245 -0.15121962 0.51926108 0.64541757 0.26120863 3.08597553 0.8480818 1.23802339 -2.30090878 -7.95041976 -23.30936843 -37.03643197 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55406-53-6 62097 144211434 A A 3-Iodo-2-propynyl-N-butylcarbamate O=C(NCCCC)OCC#CI Tox21_301117 -NCGC00254962-01 196714176 tox21-ror-cho-viability-p1 set2 4 0.8619473 3.56139024 -0.3483183 0.82842162 -1.58842495 2.3350279 -0.13645084 1.41207051 -1.5070864 0.95610843 3.90734372 0.80117987 0.31543568 -1.2820144 0.40858595 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 82-68-8 6720 144211377 Pentachloronitrobenzene Clc1c(c(Cl)c(Cl)c(Cl)c1Cl)[N+]([O-])=O Tox21_301060 -NCGC00163815-04 196714182 tox21-ror-cho-viability-p1 set2 -2.2 51.7849095233 -38.708205476 1 -37.708205476 3.1319983358 0.9787453733 6.77E-8 0.98085361 -0.69469974 4.12780671 1.43132624 1.92402499 1.36304792 -0.29855446 -0.23909123 -0.07221471 -1.68117545 1.39199089 1.20480463 -0.46087977 -13.55580217 -33.09017123 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00091468-02 196714183 tox21-ror-cho-viability-p1 set2 4 5.5425928923 6.361458812 -5.861458812 0.5 4.9549173134 0.6511457757 0.0643860973 -6.17488267 -7.52850586 -4.33931257 -4.86234639 -7.22248987 -1.81319445 -9.88454901 -4.57035656 -4.63709815 -8.85153352 -5.46899101 -0.06787686 -1.47769832 1.75270366 0.35023911 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00257554-01 196714185 tox21-ror-cho-viability-p1 set2 4 4.8557733675 20 4 24 0.6 0.5636906889 0.1243187589 1.9618487 4.14118193 14.67720637 4.83771084 0.70507307 2.43150968 4.66237346 4.31908755 14.73942699 14.15346051 3.86784564 24.58722388 16.32767218 16.34247559 21.75258097 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3775-55-1 77406 144210964 A A 2-Amino-5-(5-nitro-2-furyl)-1,3,4-oxadiazole Nc1nnc(o1)c2oc(cc2)[N+]([O-])=O Tox21_300647 -NCGC00091839-03 196718363 tox21-ror-cho-viability-p1 set2 4 0.0034376243 12.9814675199 -10.4814675199 2.5 0.7 0.6558088886 0.350872218 -35.41065098 -7.0678896 -0.00638775 0.05953665 -0.00184701 -1.59425216 1.21404248 2.53407072 1.1063073 1.25434756 4.57500062 4.83673393 2.10122869 1.45721425 -4.10385594 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00256728-01 196718378 tox21-ror-cho-viability-p1 set2 4 0.31878243 -3.60480299 -4.02981283 3.11226809 -0.2302303 -8.05511948 -5.54375265 -2.72010048 -9.53414265 -3.96246259 3.02992202 1.1814198 0.55010745 -4.82805993 -13.52592007 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 474-86-2 223368 144212958 A A Equilin Oc3cc4CC=C1[C@H](CC[C@]2(C)C(=O)CC[C@@H]12)c4cc3 Tox21_302641 -NCGC00091761-07 196717528 tox21-ror-cho-viability-p1 set2 4 -0.31836965 -0.41599319 0.51836512 0.32407 4.76621367 3.41247647 1.86947888 -0.05758026 -0.22993968 2.11636569 0.53226272 0.73552567 0.91966234 0.05140831 0.0792227 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 128-37-0 31404 170466785 F Butylated hydroxytoluene CC(C)(C)c1cc(C)cc(c1O)C(C)(C)C Tox21_113537_1 -NCGC00091088-05 196717943 tox21-ror-cho-viability-p1 set2 4 -1.49653047 0.53158419 0.09173898 0.84539726 -2.31552181 -7.98135997 -0.82168958 -3.18698488 -0.67450504 1.67155158 -1.68295471 -0.23920358 0.97748789 -1.54030878 -1.14989996 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00168342-02 196718788 tox21-ror-cho-viability-p1 set2 4 -0.02368794 0.19244517 3.35192785 0.27514769 -0.00313151 2.28959712 1.52804816 3.48492951 1.54395627 2.72853705 2.38343616 7.11838884 -3.96782195 0.19003592 4.35122707 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00256394-01 196719189 tox21-ror-cho-viability-p1 set2 4 24.3365162115 -20.965792876 -4 -24.965792876 0.7999999999 0.5586106832 0.1285703281 -3.93728178 -8.98368125 -4.80106183 2.12376422 -12.8088652 -5.04484487 -2.85591321 2.19761567 -11.49995379 -8.44090284 -4.09216077 -8.73432999 -16.11684098 -16.51928881 -19.13816073 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 75-47-8 6374 144213091 AC Iodoform IC(I)I Tox21_302774 -NCGC00257174-01 196719205 tox21-ror-cho-viability-p1 set2 4 -2.63037623 -0.50442706 0.69135277 -2.62737856 -0.95008004 -0.52276629 -1.67922484 4.65414778 0.36864386 -1.514828 0.145729 0.56628437 1.19723332 0.9421316 0.9601638 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63-74-1 5333 144213653 A A Sulfanilamide Nc1ccc(cc1)S(=O)(N)=O Tox21_303336 -NCGC00257065-01 196719208 tox21-ror-cho-viability-p1 set2 4 0.4855773367 -3.839589136 1.5 -2.339589136 4.9549173134 0.3181717438 0.3528002144 2.5257815 -0.98689021 2.26043075 1.92509104 4.07929736 -0.79548828 2.39568983 1.08877658 -1.94801253 -11.11632428 -1.34495063 -1.49805197 2.12180811 -0.36301991 -2.15478988 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69-72-7 338 144213426 A A Salicylic acid OC(=O)c1ccccc1O Tox21_303109 -NCGC00254016-01 196719639 tox21-ror-cho-viability-p1 set3 4 -19.19853803 -10.27520941 -13.96661005 -6.61852582 -12.19562546 -11.21487572 -8.2461976 -9.18553463 -9.13062484 -8.81538228 -5.70055495 -8.46322405 -10.34283096 -13.31660031 -20.07550965 1.135E-9 2.5379999999E-9 5.674E-9 1.269E-8 2.837E-8 6.3439999999E-8 1.419E-7 3.1719999999E-7 7.093E-7 0.000001586 0.000003547 0.0000079299999999 0.000017729999999 0.000039649999999 0.00008866 20325-40-0 62311 144210634 FNS 3,3'-Dimethoxybenzidine dihydrochloride Cl.Cl.Nc1ccc(cc1OC)c2ccc(N)c(OC)c2 Tox21_300315 -NCGC00254297-01 196719646 tox21-ror-cho-viability-p1 set3 -3 27.3060203028 -31.1730409759 -2.5 -33.6730409759 4.9549173134 0.7929844795 0.0126541685 -2.01118124 -7.58415227 -0.65103438 2.23917621 1.76361557 -1.20361037 -7.12043248 -7.64402315 3.9289406 -0.69067355 -6.4918162 -6.60752707 -2.76319646 -33.06086748 -14.28803283 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 368832-42-2 9888347 144210765 A A CP-728663 CC[C@H]4CC[C@H](NCc1cc3c(cc1OC)[C@H]2C[C@H]2C(=O)N3C)[C@@H](N4)c5ccccc5 Tox21_300447 -NCGC00254668-01 196719648 tox21-ror-cho-viability-p1 set3 4 17.2289340586 -26.253395224 -0.5 -26.753395224 0.3 0.6202481623 0.0829815773 -5.31841123 6.04279825 -4.82705776 -6.94103084 -1.31600175 -3.90780573 -8.60599226 -9.07097609 -8.58418273 -9.25576146 -5.79601026 -10.72547324 -11.45082591 -22.29449602 -14.22169446 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101463-69-8 91766 144211081 A A Flufenoxuron Clc3cc(ccc3Oc2ccc(NC(=O)NC(=O)c1c(F)cccc1F)c(F)c2)C(F)(F)F Tox21_300764 -NCGC00254537-01 196720046 tox21-ror-cho-viability-p1 set3 1.2 0.2193679015 40.7348132495 1.9996573145 42.734470564 0.6 0.9373960666 0.0000628045 8.24986991 -3.54540879 6.55953165 9.79033298 11.25196455 11.10840542 18.72794505 22.18702697 24.62216788 27.35478237 41.37163396 38.32471218 38.14044442 39.09298045 22.94396553 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 0.0000010299999999 0.000002304 0.000005152 0.00001152 0.00002576 0.0000576 13292-46-1 5458213 144210868 A B Rifampicin CN1CCN(CC1)/N=C/c3c2NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)C=CO[C@@]5(C)Oc4c(C)c(O)c(c2O)c(c3O)c4C5=O Tox21_300550 -NCGC00257179-01 196707148 tox21-ror-cho-viability-p1 set1 4 1.37188706 1.12050449 1.13620335 0.15717267 1.3342418 1.94224826 1.34252249 5.90161285 2.11513482 -0.95063259 0.6476527 2.26769206 1.17184038 -0.16114741 6.67675627 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-55-0 8195 144213418 F Fns 1-Dodecanethiol CCCCCCCCCCCCS Tox21_303101 -NCGC00256368-01 196707146 tox21-ror-cho-viability-p1 set1 4 3.4376242854 8.5613049559 -5.0613049559 3.5 2.4063783767 0.3223459017 0.3616400139 -0.45550299 -5.90141421 0.96398643 -11.2649888 -12.96775413 -3.7648 -4.72517415 -3.23952714 -4.51275555 -2.22067616 -4.66997294 12.99079185 0.16495194 -1.02519644 -3.7649674 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135-20-6 2724103 144213269 F Fns Cupferron [NH4+].O=NN([O-])c1ccccc1 Tox21_302952 -NCGC00257226-01 196707154 tox21-ror-cho-viability-p1 set1 4 -0.03126615 1.84092217 0.79932768 0.21393036 2.05926818 1.08229641 0.71823863 10.10960799 -2.05799916 1.28935853 1.4294765 -1.78367583 8.57129772 0.11647402 12.2664746 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-25-2 6877 144213514 A A Ethyl anthranilate Nc1ccccc1C(=O)OCC Tox21_303197 -NCGC00090750-04 196707155 tox21-ror-cho-viability-p1 set1 4 31.0121236216 -9.371949616 0 -9.371949616 4.9549173134 0.5053495263 0.1747595635 -2.27480278 -2.40447401 -3.91271988 -6.01142357 0.68998017 2.27087293 1.08196162 4.10204595 5.45270019 0.40173486 0.58099374 -2.03407713 0.58616472 -7.62101769 -9.47662468 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00256480-01 196707572 tox21-ror-cho-viability-p1 set1 4 6.1130564862 7.644388648 1.355611352 9 4.9549173134 0.617832247 0.0851490411 0.52311511 0.34297493 -0.42709881 1.79859869 1.52677589 0.73864001 5.36126723 2.91718313 0.18063464 4.77416157 -4.28699054 9.48573084 6.69814087 6.92547103 11.98074316 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 20265-96-7 5284363 144213232 A A 4-Chloroaniline hydrochloride Cl.Nc1ccc(Cl)cc1 Tox21_302915 -NCGC00257369-01 196707577 tox21-ror-cho-viability-p1 set1 4 0.75045814 -2.31729446 0.76744453 0.56939749 -2.29286234 1.57106965 -0.14725369 3.24663879 5.91783754 -2.15915173 -1.60459457 2.16632039 -1.09354002 0.697013 1.55646956 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 625-45-6 12251 144213824 A Methoxyacetic acid O=C(O)COC Tox21_303516 -NCGC00256955-01 196707579 tox21-ror-cho-viability-p1 set1 4 -7.19177458 -6.64013661 -8.47441473 1.29165819 -0.87608385 0.21786045 -8.23446484 -1.72937707 -14.12411258 1.79340791 -6.90214448 -10.92540643 -0.6505098 -5.90564905 3.57387564 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1498-51-7 15158 144213476 F A Ethyl dichlorophosphate ClP(Cl)(=O)OCC Tox21_303159 -NCGC00257108-01 196707585 tox21-ror-cho-viability-p1 set1 4 7.6958821542 18.383440788 -3.383440788 15 0.2 0.3794527684 0.2923405538 -2.28279484 0.34025688 -1.70854566 3.61822837 1.03549843 -0.63480797 5.34866678 -0.26680382 11.18933597 0.84652257 -2.81953399 10.82508803 9.58960286 4.74736985 9.55537206 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 88-44-8 6934 144213495 A A 2-Amino-5-methylbenzenesulfonic acid Nc1ccc(C)cc1S(O)(=O)=O Tox21_303178 -NCGC00256928-01 196707982 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -14.6567578279 0 -14.6567578279 0.7999999999 0.4123878962 0.2619492109 -0.09206496 -1.85666103 -1.00046204 -4.43984201 0.00888412 6.19312019 1.26943192 -1.66440748 0.42160304 -1.59139553 -0.00544857 -5.42990135 -4.84573545 -0.48751381 -10.54729819 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 118-58-1 8363 144213363 A A Benzyl salicylate Oc2ccccc2C(=O)OCc1ccccc1 Tox21_303046 -NCGC00259818-01 196703159 tox21-ror-cho-viability-p1 set1 4 6.7405550155 -11.7884441359 -2 -13.7884441359 1.331 0.7511567174 0.0192980776 -6.36276907 -0.7909021 -4.94282899 -4.27260752 -4.31079192 -0.57931611 -1.18189638 -0.95439157 -1.24451012 0.07405978 -8.00526968 -9.90407006 -10.04570107 -10.52548308 -15.65703678 1.163E-9 2.601E-9 5.817E-9 1.301E-8 2.908E-8 6.5039999999E-8 1.454E-7 3.252E-7 7.2709999999E-7 0.0000016259999999 0.000003636 0.000008129 0.00001818 0.00004065 0.000090889999999 63-05-8 6128 144209467 A A 4-Androstene-3,17-dione O=C2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_202269 -NCGC00257108-01 196727508 tox21-ror-cho-viability-p1 set3 4 1.28923554 1.36536324 -1.22919236 -1.46590863 1.10447759 1.85624329 2.43702824 1.47534638 1.74932434 3.37660132 3.24687229 -0.35239569 3.01666448 -1.34562667 1.64238328 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 88-44-8 6934 144213495 A A 2-Amino-5-methylbenzenesulfonic acid Nc1ccc(C)cc1S(O)(=O)=O Tox21_303178 -NCGC00256830-01 196727513 tox21-ror-cho-viability-p1 set3 4 -8.95589551 -2.79461068 -1.06702612 -6.90199271 -5.04607547 -6.68857953 -5.00199106 0.85944863 -0.06663824 2.33523262 -4.31906076 -4.62697276 -3.02225255 -4.98961341 -2.80921278 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33467-74-2 5365049 144213932 F Fns (3Z)-Hex-3-en-1-yl propanoate O=C(CC)OCC/C=C\CC Tox21_303627 -NCGC00159417-06 196729713 tox21-ror-cho-viability-p1 set3 -2.1 49.6956931991 -100.9154741924 0.969696872 -99.9457773204 1.55794881 0.9914504244 3E-10 1.46470445 2.14632935 0.75014036 4.58653331 1.08286261 -0.68072818 0.88714117 1.12248225 -0.22386953 -0.13809771 -0.82868191 -7.70055747 -18.09828936 -38.55200572 -75.71649797 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00258257-01 196729707 tox21-ror-cho-viability-p1 set3 4 3.4551111295 -11.8102869479 2.5 -9.3102869479 4.9549173134 0.6124336757 0.1017588411 2.32942038 1.53331961 1.07291435 3.0548483 2.28844218 1.68253024 1.03633749 1.78228904 5.68443819 3.37134601 -3.48948933 -21.09190579 -3.3082789 -4.84505438 -0.21344452 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.626E-8 1.482E-7 3.3129999999E-7 7.408E-7 0.000001656 0.000003704 0.000008282 0.00001852 0.000041409999999 0.000092599999999 118-92-3 227 144207901 A A Anthranilic acid OC(=O)c1ccccc1N Tox21_200703 -NCGC00258175-01 196729708 tox21-ror-cho-viability-p1 set3 4 8.7404039877 11.894688384 -4.394688384 7.5 4.9549173134 0.5953107811 0.100415071 -9.24538226 -1.5935504 -9.91224032 -8.25449077 -1.79615075 0.97972532 -7.89691513 -2.45436842 0.36932965 -1.1375111 -9.08105554 0.18661686 12.45192847 5.93401792 3.81900037 1.1919999999E-9 2.6659999999E-9 5.962E-9 1.333E-8 2.981E-8 6.6659999999E-8 1.491E-7 3.3329999999E-7 7.4529999999E-7 0.0000016659999999 0.000003726 0.000008332 0.00001863 0.00004166 0.00009316 55-21-0 2331 144207819 A A Benzamide NC(=O)c1ccccc1 Tox21_200621 -NCGC00257797-01 196729711 tox21-ror-cho-viability-p1 set3 4 4.87410289 2.67740638 2.46503372 -3.33679799 7.89493253 3.11735536 2.41873287 -1.05321819 2.45308569 0.553189 0.29484683 2.1720635 1.95419368 1.1756476 4.59178683 1.171E-9 2.618E-9 5.854E-9 1.3089999999E-8 2.927E-8 6.545E-8 1.464E-7 3.2729999999E-7 7.3179999999E-7 0.0000016359999999 0.0000036589999999 0.0000081809999999 0.00001829 0.000040909999999 0.000091469999999 1704-62-7 74348 144207441 A F 2-[2-(Dimethylamino)ethoxy]ethanol CN(C)CCOCCO Tox21_200243 -NCGC00257620-01 196730112 tox21-ror-cho-viability-p1 set3 -3 61.0684034488 -48.763951708 -4.760323642 -53.52427535 3.9294729864 0.910370187 0.1400965444 -3.59249369 -22.52106497 0.00884175 -3.33856266 -4.83858195 1.75151267 1.0696013 -18.04723223 -24.03817817 -4.05496545 -2.19394073 -1.2864895 -14.30394306 -9.90984101 -45.85172375 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008241 0.000018429999999 0.00004121 0.00009214 5522-43-0 21694 144207264 A A 1-Nitropyrene [O-][N+](=O)c4ccc1ccc2cccc3ccc4c1c23 Tox21_200066 -NCGC00258016-01 196730127 tox21-ror-cho-viability-p1 set3 4 -1.5242466 -0.99168588 -4.78378676 -3.52726989 -2.4347947 -3.27938612 0.30527092 -1.63503679 0.26646592 -2.753249 -2.3301201 -1.10638535 -3.60752836 -0.99011326 3.76056263 1.182E-9 2.6429999999E-9 5.91E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.304E-7 7.387E-7 0.0000016519999999 0.0000036939999999 0.000008259 0.000018469999999 0.000041299999999 0.00009234 6938-94-9 23368 144207660 B A Diisopropyl adipate CC(C)OC(=O)CCCCC(=O)OC(C)C Tox21_200462 -NCGC00257574-01 196730531 tox21-ror-cho-viability-p1 set3 4 0.2146955457 -13.3830166079 0 -13.3830166079 4.9549173134 0.5542988874 0.1473645226 -1.69234847 2.59666513 2.26267222 1.11464014 -0.59795329 -4.4253526 -0.35164188 -14.99080089 -13.36884888 -26.15251384 -19.45701786 0 -8.60803675 -9.23230058 -0.15190466 1.1699999999E-9 2.617E-9 5.851E-9 1.3079999999E-8 2.925E-8 6.5409999999E-8 1.463E-7 3.271E-7 7.314E-7 0.000001635 0.000003657 0.000008177 0.00001828 0.00004088 0.00009142 1619-16-5 6537505 144207218 A A Hydroxyvalerenic acid O=C(O)C(\C)=C\[C@@H]2CC[C@@H](C)[C@@H]1C2=C(C)C[C@H]1O Tox21_200020 -NCGC00257848-01 196730548 tox21-ror-cho-viability-p1 set3 4 2.72066755 -6.92215429 -6.42724374 -5.09588471 3.24462737 -6.00175445 2.76317537 -6.24175061 2.86054967 0.26162386 -21.83353734 -20.59417983 -5.48401531 1.95069127 0.86688523 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 141-75-3 8855 144207492 D Butyryl chloride CCCC(Cl)=O Tox21_200294 -NCGC00090776-02 196700266 tox21-ror-cho-viability-p1 set1 4 0.0015074654 12.007809404 -12.007809404 0 4.9549173134 0.5648844259 0.1253994881 -9.58984117 -0.37677235 3.53858163 -4.07952469 -3.21286017 1.05917431 -0.32377464 -0.08813428 -3.74423955 0.95605344 -0.22145953 -0.17467062 0.18111558 0.17736485 2.48745833 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00090686-07 196700259 tox21-ror-cho-viability-p1 set1 4 0.8591747 -1.16997407 -9.76548313 -0.80697894 0.19116585 -0.38688641 -2.07600559 0.4966667 2.99074095 2.97164212 0.60128609 -9.13373173 0.13017768 2.4895762 -1.17696747 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00256305-01 196700267 tox21-ror-cho-viability-p1 set1 4 0.1785668 -0.1356185 -6.10302518 -0.68649353 -3.87394811 -4.52305123 -0.94759565 -3.06797029 -0.94033198 1.09424888 1.05312668 -1.4830938 0.45824952 -7.55565222 -3.82471868 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7575-23-7 82056 144211830 F 3-[(3-Sulfanylpropanoyl)oxy]-2,2-bis{[(3-sulfanylpropanoyl)oxy]methyl}propyl 3-sulfanylpropanoate SCCC(=O)OCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS Tox21_301513 -NCGC00255464-01 196700271 tox21-ror-cho-viability-p1 set1 4 0.43553826 -0.43655076 -6.0894541 -5.37576482 -2.77444666 -14.63083791 -4.64307715 -6.47994525 1.21500885 -1.85508569 -11.23775725 -2.43081665 -14.59860118 -7.70571712 -11.83246625 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 8000-41-7 17100 144212615 A B Terpineol CC1=CCC(CC1)C(O)(C)C Tox21_302298 -NCGC00357040-01 196723950 tox21-ror-cho-viability-p1 set3 4 -6.70594929 6.15420635 -3.09673162 -7.20065001 0.26266091 2.44205708 4.38445205 2.48301664 3.31527957 2.47223325 1.1768875 -0.78614791 6.88542342 -1.90086248 8.56362683 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 821-48-7 522769 251919952 A Bis(2-chloroethyl)amine hydrochloride Cl.ClCCNCCCl Tox21_303731 -NCGC00163843-03 196723547 tox21-ror-cho-viability-p1 set3 4 0.621889151 -7.201519032 4 -3.201519032 4.9549173134 0.5265207827 0.1720960988 -1.4888656 8.87625235 3.56352704 -0.69700202 3.06957733 4.76222747 6.67188089 9.37011574 -2.62294475 -1.99204859 -1.77164183 -5.62698906 -6.00126586 0.77234801 2.64576425 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00260143-01 196723941 tox21-ror-cho-viability-p1 set3 4 -0.26761244 0.31803436 3.75937418 -7.98856462 0.600012 2.74761966 0.10915424 0.67696591 -1.09277515 0.02906248 -0.5495288 1.40034104 0.46606371 1.08290561 1.8637995 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041229999999 0.00009218 7631-99-4 24268 144209793 Sodium nitrate [Na+].[O-][N+]([O-])=O Tox21_202595 -NCGC00260455-01 196723944 tox21-ror-cho-viability-p1 set3 4 2.53659174 4.53466663 -4.1588744 0.19985112 2.31135085 -5.18523157 0.46629083 -1.38946473 5.55304848 2.71116873 1.91018037 -0.67392908 2.32376454 2.97048765 6.4737783 1.19E-9 2.661E-9 5.951E-9 1.331E-8 2.975E-8 6.653E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.000003719 0.000008317 0.0000186 0.00004158 0.00009298 2835-97-4 3014138 144210107 A B 2-Amino-m-cresol Cc1cccc(O)c1N Tox21_202909 -NCGC00091663-03 196723956 tox21-ror-cho-viability-p1 set3 4 -10.48452434 -1.07649736 -5.47847764 -5.80309404 2.73464038 4.95698103 2.64933583 -0.53581259 -4.24825969 -2.12160125 0.87619595 -6.94988318 3.1499171 -7.94593699 -3.43574746 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00260614-01 196723965 tox21-ror-cho-viability-p1 set3 4 0.41360195 7.84385238 4.65396044 6.8173101 0.37302658 4.96413411 -1.69597297 0.36351287 -9.28336721 4.08401891 6.58252755 2.34296071 -0.46619207 1.50246348 3.43058833 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49510 144210267 M M NTP Mix17 AR1 8-EQC Tox21_203069 -NCGC00095933-04 196697790 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -15.2985633959 -0.5 -15.7985633959 4.9549173134 0.8913539571 0.0004982675 0.38820662 -3.63134478 -0.3180785 -0.9422008 -1.53692605 -1.35952809 -0.73633202 -1.02850223 -0.69478887 -1.44562911 0.14295764 0.33764339 0.22044581 0.04674457 -13.99880283 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 133-11-9 8609 170465273 A Phenyl 4-aminosalicylate Oc2cc(N)ccc2C(=O)Oc1ccccc1 Tox21_111538_1 -NCGC00016023-18 196697791 tox21-ror-cho-viability-p1 set1 4 0.02242858 4.23437778 5.30716155 -0.05942524 -0.23728586 2.91123597 0.58987835 0.63663871 -4.84176199 -2.79451562 -2.30031628 1.35580888 1.27574779 1.57036611 1.47305346 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83-67-0 5429 170465487 A Theobromine Cn1cnc2c1C(=O)NC(=O)N2C Tox21_110284_1 -NCGC00093588-04 196697795 tox21-ror-cho-viability-p1 set1 4 -0.29024662 7.70681974 4.84281625 2.7723319 0.23339939 3.31643036 2.21329602 9.53709032 0.71587989 3.89811339 0.88922571 6.29258339 1.76394782 6.47375618 -0.82184455 5.899E-11 1.319E-10 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 60-92-4 6076 170466839 A cAMP Nc4ncnc3c4ncn3[C@@H]2O[C@@H]1COP(=O)(O)O[C@H]1[C@H]2O Tox21_113510_1 -NCGC00258675-01 196715505 tox21-ror-cho-viability-p1 set2 4 -0.48389558 -0.12983225 -0.39820382 -0.64579405 -0.53374401 1.04161488 -1.2225005 1.58900288 0.82446814 0.75386567 -1.19656406 0.54972004 0.4899834 -0.38075158 -1.35524064 1.163E-9 2.5999999999E-9 5.8139999999E-9 1.2999999999E-8 2.9069999999E-8 6.5E-8 1.453E-7 3.25E-7 7.267E-7 0.000001625 0.000003634 0.000008125 0.00001817 0.000040619999999 0.00009084 41122-70-7 38764 144208321 A A 4-Hexyl-4'-cyanobiphenyl N#Cc1ccc(cc1)c2ccc(CCCCCC)cc2 Tox21_201123 -NCGC00258108-01 196715514 tox21-ror-cho-viability-p1 set2 -2.4 51.889070589 -34.945790288 1 -33.945790288 3.1924983358 0.9855825938 7.1E-9 1.14375053 -0.08993518 0.69834817 3.52849162 1.79929362 1.10569987 -0.84001822 1.07403394 0.26264788 1.63971427 0.95095049 1.03981002 -0.37008287 -9.18388102 -28.70482524 1.133E-9 2.533E-9 5.6629999999E-9 1.2659999999E-8 2.832E-8 6.332E-8 1.416E-7 3.1659999999E-7 7.0789999999E-7 0.000001583 0.00000354 0.000007915 0.0000177 0.000039569999999 0.000088489999999 79-97-0 6620 144207752 A A 3,3'-Dimethylbisphenol A Cc1cc(ccc1O)C(C)(C)c2ccc(O)c(C)c2 Tox21_200554 -NCGC00254128-01 196715092 tox21-ror-cho-viability-p1 set2 4 0.83964815 1.02319924 0.37308217 0.74076164 0.95932158 0.05865038 -0.67939213 0.61120454 1.04423349 2.16777942 0.29361316 3.38050331 5.08256563 1.27277264 5.66494144 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3033-77-0 18205 144210496 B N,N,N-Trimethyl(oxiran-2-yl)methanaminium chloride [Cl-].C[N+](C)(C)CC1CO1 Tox21_300176 -NCGC00257808-01 196715510 tox21-ror-cho-viability-p1 set2 4 0 -0.02602294 0.35870639 0.17741979 -1.41157712 0.12696702 0.20776886 0.88738323 0.02275389 -1.37042862 -1.56542251 0.84925759 -1.69507822 -0.56471358 -0.45900786 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.5809999999E-8 1.472E-7 3.291E-7 7.358E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.00004113 0.00009198 92-66-0 7101 144207452 A A 4-Bromobiphenyl Brc1ccc(cc1)c2ccccc2 Tox21_200254 -NCGC00258602-01 196715913 tox21-ror-cho-viability-p1 set2 4 -0.83146092 -1.57976676 3.88225389 -0.0433558 4.6841249 -2.56186209 4.04160556 1.50083275 -0.34179118 4.94206023 0.47288176 3.16110036 2.08868511 -2.07913953 3.56544922 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.593E-8 1.474E-7 3.297E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009214 121-59-5 8480 144208247 A A Carbarsone O=C(N)Nc1ccc(cc1)[As](O)(O)=O Tox21_201049 -NCGC00258193-01 196715924 tox21-ror-cho-viability-p1 set2 4 43.8940033243 18.5824350079 -2.5824350079 16 0.6999999999 0.6682178928 0.0541185937 -1.9036069 -1.0146796 -7.41474398 -8.81869584 -0.6985813 0.32591358 0.26992205 -1.07313099 -0.18171841 1.2203978 0.88934038 0.42744672 1.01667506 6.92169694 11.51005197 1.194E-9 2.671E-9 5.972E-9 1.335E-8 2.986E-8 6.677E-8 1.493E-7 3.338E-7 7.465E-7 0.000001669 0.000003733 0.000008346 0.00001866 0.000041729999999 0.00009331 627-63-4 5325504 144207837 F Fumaryl chloride ClC(=O)/C=C/C(Cl)=O Tox21_200639 -NCGC00091468-02 196715926 tox21-ror-cho-viability-p1 set2 4 5.54134994 4.56692453 5.14178891 2.18188721 6.20714742 2.60938649 2.9629846 3.85487594 5.45442109 0.70493669 0.51575729 7.25871939 0.74368776 -0.19528926 0.39866205 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00091088-05 196715928 tox21-ror-cho-viability-p1 set2 4 -5.53535914 -2.92120146 -5.29662019 -1.96151441 0.74004571 -2.06021464 -0.19571514 0.26935924 -0.35893665 -0.44665729 -3.8727986 -2.55620057 2.07698215 -3.01560419 1.68302011 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00258552-01 196715931 tox21-ror-cho-viability-p1 set2 4 -1.6453655 1.7743553 -3.19269882 -1.65666082 -0.75718123 -4.04447106 2.6163982 -1.89619699 2.27087077 -1.82817319 1.5093053 3.10191997 0.09471781 0.11931482 3.42783652 9.546E-10 2.134E-9 4.773E-9 1.067E-8 2.3859999999E-8 5.3359999999E-8 1.193E-7 2.668E-7 5.966E-7 0.000001334 0.000002983 0.00000667 0.00001492 0.00003335 0.00007458 91-15-6 7042 144208197 A A 1,2-Benzenedicarbonitrile N#Cc1ccccc1C#N Tox21_200999 -NCGC00258414-01 196716329 tox21-ror-cho-viability-p1 set2 4 0.26492638 2.60354473 -0.44642727 -2.78332099 -3.20853481 -2.59389817 -0.02124873 -2.60412125 -0.3197814 -3.3452331 -5.66297937 -0.14876703 -0.1349142 0.63911621 -3.02624308 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.314E-8 2.9369999999E-8 6.568E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.000003672 0.00000821 0.000018359999999 0.000041049999999 0.00009179 1975-78-6 74791 144208058 A Ac Decanenitrile CCCCCCCCCC#N Tox21_200860 -NCGC00258533-01 196716342 tox21-ror-cho-viability-p1 set2 4 -0.50470636 -2.30388483 -3.6915605 -7.30052983 2.31399177 -1.288318 -3.18255396 -0.66087843 0.1927992 -6.72690384 -1.58139027 -2.79115832 -3.65849237 -5.81274783 -2.90073463 1.203E-9 2.6889999999E-9 6.014E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003759 0.000008404 0.000018789999999 0.00004202 0.000093959999999 615-28-1 11990 144208178 D 1,2-Phenylenediamine dihydrochloride Cl.Cl.Nc1ccccc1N Tox21_200980 -NCGC00257872-01 196716350 tox21-ror-cho-viability-p1 set2 4 -2.29183153 -0.06081741 -4.08666508 1.54875538 -0.2389921 0 0.19075519 -1.22652961 1.49471304 0.8801192 1.52850855 -24.56571459 -1.1719162 1.76994424 3.20046166 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.331E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 4659-45-4 78392 144207516 F 2,6-Dichlorobenzoyl chloride O=C(Cl)c1c(Cl)cccc1Cl Tox21_200318 -NCGC00162150-04 196716747 tox21-ror-cho-viability-p1 set2 4 -0.09111947 0.90684971 -2.29382681 0.20946859 -1.27229719 -0.86314107 -0.5194107 -0.37876254 -4.05438018 -3.28003075 -3.11789394 -1.92702493 -6.56515986 -2.6231128 -9.09170713 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 132203-70-4 5282138 170465867 A Cilnidipine CC=1NC(C)=C(C(C=1C(=O)OCCOC)c2cccc(c2)[N+]([O-])=O)C(=O)OC/C=C/c3ccccc3 Tox21_112001_1 -NCGC00257801-01 196715887 tox21-ror-cho-viability-p1 set2 4 -0.64260319 0.54275794 -2.75485878 -2.47929944 -0.16205589 -0.50201948 -3.61770298 -1.59595934 0.17214912 -0.83744545 -3.07870246 -1.70055476 1.59708744 0.09424152 -3.73939644 1.204E-9 2.693E-9 6.0219999999E-9 1.347E-8 3.011E-8 6.733E-8 1.506E-7 3.367E-7 7.528E-7 0.000001683 0.0000037639999999 0.000008416 0.00001882 0.00004208 0.000094099999999 80226-00-2 115089 144207445 A A (-)-Enterodiol Oc2cc(C[C@@H](CO)[C@@H](Cc1cccc(O)c1)CO)ccc2 Tox21_200247 -NCGC00257694-01 196715467 tox21-ror-cho-viability-p1 set2 4 69.7771103933 -27.49633264 1.5 -25.99633264 2.9522712143 0.8644175778 0.0014217904 -0.32497799 1.32729335 -1.56642807 4.46338776 0.56917216 2.60919933 2.550715 4.04476428 2.29716219 -0.05675634 2.74474912 2.44715206 -3.50721444 -2.44178613 -18.3302772 1.197E-9 2.676E-9 5.9839999999E-9 1.338E-8 2.992E-8 6.69E-8 1.496E-7 3.345E-7 7.48E-7 0.000001673 0.00000374 0.000008363 0.000018699999999 0.000041819999999 0.0000935 600-05-5 11746 144207338 FC 2,3-Dibromopropionic acid BrC(CBr)C(=O)O Tox21_200140 -NCGC00257833-01 196715478 tox21-ror-cho-viability-p1 set2 4 0.4781796728 5.57002512 0.92997488 6.5 0.8999999999 0.4490809484 0.2276398048 4.47920696 2.08079022 0.62339408 -4.6416876 3.78191496 2.7546112 0.50666818 1.80952595 5.84982454 7.88732195 2.95558991 7.68737131 4.06518334 5.96205259 7.76544264 1.165E-9 2.606E-9 5.8259999999E-9 1.303E-8 2.9129999999E-8 6.514E-8 1.457E-7 3.2569999999E-7 7.2829999999E-7 0.000001629 0.000003641 0.000008143 0.00001821 0.00004071 0.00009104 108-70-3 7950 144207477 AC B 1,3,5-Trichlorobenzene Clc1cc(Cl)cc(Cl)c1 Tox21_200279 -NCGC00257665-01 196715483 tox21-ror-cho-viability-p1 set2 4 0.93681726 2.27713879 -0.83627679 2.78031904 0.75631006 -0.99331135 1.1436605 1.3476326 2.429737 -0.4544288 1.04053155 0.51791784 -0.02973959 0.58061823 2.25830423 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.295E-7 7.367E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.000041179999999 0.00009209 143-28-2 5284499 144207309 A A (9Z)-Octadec-9-en-1-ol CCCCCCCC\C=C/CCCCCCCCO Tox21_200111 -NCGC00258642-01 196715889 tox21-ror-cho-viability-p1 set2 4 -1.40316537 4.28208426 1.18018772 0.27711589 4.87486465 2.82392027 1.88195041 1.94696181 0.71534507 1.67152948 3.96945393 3.46450163 3.85648653 -0.66050095 2.00311968 1.197E-9 2.676E-9 5.9839999999E-9 1.338E-8 2.992E-8 6.69E-8 1.496E-7 3.345E-7 7.48E-7 0.000001673 0.00000374 0.000008363 0.000018699999999 0.000041819999999 0.0000935 513-88-2 10567 144208288 D 1,1-Dichloropropanone ClC(Cl)C(C)=O Tox21_201090 -NCGC00258182-01 196715896 tox21-ror-cho-viability-p1 set2 4 0.60838691 2.80682034 -0.05730982 -5.18112628 2.81536118 4.19408323 0.04988616 3.04758477 -8.2915299 1.7216145 3.24445111 2.01109773 4.27043968 0.16054693 5.95966983 1.1859999999E-9 2.653E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001854 0.00004145 0.00009268 126-33-0 31347 144207826 A A Sulfolane O=S1(=O)CCCC1 Tox21_200628 -NCGC00258232-01 196715903 tox21-ror-cho-viability-p1 set2 4 -5.64050615 -4.77785332 -1.33147145 2.30632211 1.84690179 3.26870977 2.78261648 1.70092014 1.08005688 3.32616081 -6.37129237 1.3078674 -5.47352346 -5.12494047 -1.77941026 1.1919999999E-9 2.6659999999E-9 5.962E-9 1.333E-8 2.981E-8 6.6659999999E-8 1.491E-7 3.3329999999E-7 7.4529999999E-7 0.0000016669999999 0.000003726 0.000008333 0.00001863 0.00004166 0.00009316 88-53-9 6936 144207876 A A 2-Amino-5-chloro-4-methylbenzenesulfonic acid Nc1cc(C)c(Cl)cc1S(=O)(=O)O Tox21_200678 -NCGC00258720-01 196716302 tox21-ror-cho-viability-p1 set2 4 -1.78616271 -0.6271813 -2.6824287 0.77599466 -1.93172679 -1.92218662 -0.00481952 -2.63396947 -0.4609259 0.81842014 -3.29237125 -1.58723027 -0.16157582 -2.92768885 -6.9431346 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 75-15-0 6348 144208366 Carbon disulfide S=C=S Tox21_201168 -NCGC00258464-01 196716308 tox21-ror-cho-viability-p1 set2 4 0.16686578 -3.16010905 1.44497463 1.90722599 1.89760716 -2.82374194 -4.59124928 -1.16720562 -1.84818344 -2.64813063 -4.01433374 -0.26842592 -1.16864121 -6.61980575 -3.80085841 1.2689999999E-9 2.8379999999E-9 6.345E-9 1.4189999999E-8 3.173E-8 7.094E-8 1.5859999999E-7 3.547E-7 7.931E-7 0.0000017739999999 0.000003966 0.000008868 0.000019829999999 0.00004434 0.000099139999999 935-95-5 13636 144208108 A A 2,3,5,6-Tetrachlorophenol Oc1c(Cl)c(Cl)cc(Cl)c1Cl Tox21_200910 -NCGC00257680-01 196716312 tox21-ror-cho-viability-p1 set2 4 5.9579709467 -14.0363785279 1.5 -12.5363785279 4.0949729863 0.9109536594 0.0001805367 1.58414459 -0.84608161 2.83809215 1.08259479 1.88721899 2.58777176 1.42901695 -0.70410875 0.18167926 2.20662228 0.30961684 -9.93537245 -8.11749458 -13.02533371 -16.28031544 1.155E-9 2.583E-9 5.7769999999E-9 1.292E-8 2.8879999999E-8 6.458E-8 1.444E-7 3.229E-7 7.2209999999E-7 0.000001615 0.0000036099999999 0.000008073 0.000018049999999 0.00004036 0.00009026 97-02-9 7321 144207324 A A 2,4-Dinitroaniline O=[N+]([O-])c1cc(ccc1N)[N+]([O-])=O Tox21_200126 -NCGC00258652-01 196716317 tox21-ror-cho-viability-p1 set2 4 0.51077762 -0.17566305 -0.21043707 -0.2491834 -1.79159301 1.46364334 -2.27613711 -4.47735408 -0.16302226 0.50296257 -0.38480745 1.12198926 -1.99693279 0.09447585 2.48107971 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 654058-04-5 16069365 144208298 A A 1,3-Dimethylimidazolium dimethyl phosphate C[n+]1ccn(C)c1.[O-]P(=O)(OC)OC Tox21_201100 -NCGC00258655-01 196716322 tox21-ror-cho-viability-p1 set2 4 -0.42842529 3.583458 5.04132332 0.53652622 0.54427206 0.66259423 2.34466913 3.25435035 1.51498031 0.42762579 1.92018082 5.89837294 1.0010778 3.61551704 0.11806972 1.1609999999E-9 2.5969999999E-9 5.8069999999E-9 1.299E-8 2.9039999999E-8 6.493E-8 1.4519999999E-7 3.246E-7 7.259E-7 0.000001623 0.000003629 0.000008116 0.000018149999999 0.000040579999999 0.000090739999999 100-74-3 7525 144208301 FC N-Ethylmorpholine CCN1CCOCC1 Tox21_201103 -NCGC00255726-01 196728805 tox21-ror-cho-viability-p1 set3 4 0.019331182 -9.504030588 4 -5.504030588 4.9549173134 0.4121463782 0.2770124936 0 7.91092516 3.82572517 3.15295516 -5.37189222 -6.45844677 -8.79215992 1.66487124 7.81097296 -10.42002549 -5.55292173 -8.69660109 -9.81989635 -6.84078081 0.33215057 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 156-06-9 997 144211679 F F Phenylpyruvic acid O=C(Cc1ccccc1)C(=O)O Tox21_301362 -NCGC00256178-01 196701083 tox21-ror-cho-viability-p1 set1 4 -0.39401606 -1.04605273 5.94464296 0.67025623 1.03913915 0.67925841 -1.30826906 -1.1650236 -1.96750793 1.06289783 0.20982155 -0.68692413 7.0037424 -0.28668838 6.25635923 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69852-45-5 112322 144212066 A Ac 3-{[3-(Dimethylamino)propyl]amino}propanenitrile CN(C)CCCNCCC#N Tox21_301749 -NCGC00255366-01 196701068 tox21-ror-cho-viability-p1 set1 4 68.5896218971 12.0013932079 -1.5013932079 10.5 4.9549173134 0.6860136002 0.0456804898 -1.21608136 -2.83618383 -4.58449434 -2.87671653 0.08925042 -0.86178645 -1.1596987 -4.33943974 -1.50421016 -1.43609892 0.69567327 0.07478629 1.29097777 -1.16241276 8.17840663 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1118-92-9 14240 144212247 A A N,N-Dimethyloctanamide CN(C)C(=O)CCCCCCC Tox21_301930 -NCGC00255166-01 196701079 tox21-ror-cho-viability-p1 set1 4 1.283374 -5.80479499 0.30002357 1.02900209 -1.85549076 2.25168123 -5.09914175 1.32365496 -4.0696663 -1.32110232 1.12651194 -4.81231247 -0.12490339 -4.76720851 1.148587 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 114-49-8 6603108 144212336 A A Scopolamine hydrobromide Br.OC[C@H](c1ccccc1)C(=O)O[C@H]2C[C@@H]3N(C)[C@H](C2)[C@H]4O[C@@H]34 Tox21_302019 -NCGC00255287-01 196701087 tox21-ror-cho-viability-p1 set1 4 -0.79129589 0.22256577 1.66952388 0.07448799 -0.96710935 2.74433617 -0.58122243 -0.16924282 -0.0737086 0.76356202 -6.18420061 1.54884919 1.06632903 1.09192415 -0.95309873 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16079-88-2 61828 144212692 D 1-Bromo-3-chloro-5,5-dimethylhydantoin O=C1N(Cl)C(=O)N(Br)C1(C)C Tox21_302375 -NCGC00258541-01 196701490 tox21-ror-cho-viability-p1 set1 4 0.1084861629 -8.9779209519 -2 -10.9779209519 2.3331733767 0.5884046623 0.1202155733 -6.47536855 -5.50503271 -0.26812717 4.95162406 -5.99211889 -0.15930654 -11.11422474 -10.98859344 -11.26837614 -10.06935205 -10.07794609 -12.96717928 -14.14826746 -6.04332343 -4.28187828 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.000003681 0.00000823 0.000018399999999 0.00004115 0.00009201 4196-86-5 20167 144208186 A A 2,2-Bis[(benzoyloxy)methyl]dibenzoate propanediol O=C(OCC(COC(=O)c1ccccc1)(COC(=O)c2ccccc2)COC(=O)c3ccccc3)c4ccccc4 Tox21_200988 -NCGC00258566-01 196701493 tox21-ror-cho-viability-p1 set1 4 -19.39227904 -3.79056294 -9.90359299 -7.7632143 -1.54838107 6.48930203 -1.13339404 -11.98772335 -8.91650705 -5.711417 0.12950534 -16.50491499 -11.44910375 -2.63087344 -22.44275465 1.202E-9 2.6889999999E-9 6.0119999999E-9 1.344E-8 3.006E-8 6.722E-8 1.503E-7 3.361E-7 7.516E-7 0.0000016809999999 0.000003758 0.000008403 0.000018789999999 0.00004201 0.00009394 1191-41-9 6371716 144208211 A F Ethyl linolenate O=C(CCCCCCC\C=C\C\C=C\C\C=C\CC)OCC Tox21_201013 -NCGC00258408-01 196701897 tox21-ror-cho-viability-p1 set1 4 0.96700158 -1.04322225 2.34925872 -0.36980572 2.92896427 3.2617722 6.45007592 5.415214 8.36183999 1.06620459 6.03271387 -0.45602525 3.65830801 0.10727039 2.78316233 1.1859999999E-9 2.6519999999E-9 5.929E-9 1.326E-8 2.964E-8 6.629E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.0000037059999999 0.000008286 0.00001853 0.000041429999999 0.00009264 76-43-7 6446 144208052 A A Fluoxymestrone C[C@]4(O)CC[C@@H]2[C@]4(C)C[C@H](O)[C@]1(F)[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_200854 -NCGC00258280-01 196701899 tox21-ror-cho-viability-p1 set1 4 -8.97128629 2.66347149 0.19080088 -4.34456906 -5.1780367 0.30621494 -14.38026613 -4.82164874 4.36904889 -14.38392866 0.36681693 -9.17353303 -13.62599646 -7.27854752 -6.39294297 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 96-50-4 2155 144207924 A A 2-Aminothiazole Nc1nccs1 Tox21_200726 -NCGC00258296-01 196701909 tox21-ror-cho-viability-p1 set1 -3 63.2502758767 -44.8495548679 2.6362057164 -42.2133491515 4.9549173134 0.9176244872 0.00012036 3.33962494 2.1055581 4.03552988 10.31792328 1.33036853 1.41618542 4.11002778 3.23555672 7.19261892 -1.56764053 1.79247487 -0.12822562 -1.67867959 -2.53345496 -36.95796239 1.214E-9 2.7139999999E-9 6.0679999999E-9 1.357E-8 3.034E-8 6.7839999999E-8 1.517E-7 3.3919999999E-7 7.5849999999E-7 0.000001696 0.0000037919999999 0.00000848 0.00001896 0.000042399999999 0.00009481 83-38-5 6737 144207940 A A 2,6-Dichlorobenzaldehyde O=Cc1c(Cl)cccc1Cl Tox21_200742 -NCGC00257796-01 196701914 tox21-ror-cho-viability-p1 set1 4 -1.04035955 4.02809025 -0.24151191 -0.39050054 1.9961264 -1.85937158 1.03792113 -0.71684922 4.49142738 0.68783728 1.25236688 -2.12611181 4.69700695 4.04977193 -1.40104633 1.196E-9 2.6749999999E-9 5.981E-9 1.338E-8 2.9909999999E-8 6.6879999999E-8 1.4949999999E-7 3.344E-7 7.477E-7 0.0000016719999999 0.0000037379999999 0.0000083589999999 0.00001869 0.000041799999999 0.000093459999999 112-86-7 5281116 144207440 A (13Z)-Docos-13-enoic acid O=C(O)CCCCCCCCCCC/C=C\CCCCCCCC Tox21_200242 -NCGC00255356-01 196700695 tox21-ror-cho-viability-p1 set1 4 57.8507107855 -19.066936068 1 -18.066936068 4.9549173134 0.8495354268 0.0023117232 0 1.09775241 -0.65113995 1.79040761 0.39695372 1.10349994 -0.54886722 0.29903789 -1.4290641 6.46921488 0.3868384 -0.3261743 1.58571633 -1.68172242 -15.88911339 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 28772-56-7 54680085 144212237 A Bromadiolone Brc1ccc(cc1)c2ccc(cc2)C(O)CC(C3=C(O)c4ccccc4OC3=O)c5ccccc5 Tox21_301920 -NCGC00256042-01 196700676 tox21-ror-cho-viability-p1 set1 2.4 24.3365162115 20.851329752 0.148670248 21 1.21 0.8229410575 0.006939674 0.56163423 -3.20944146 -1.28643447 3.70898184 -0.38514578 0.27001284 -0.13910967 0.6278256 0.80183194 -0.55131058 5.03590843 5.10108917 5.78367694 16.37892058 4.75465181 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 623-03-0 12163 144211794 A A 4-Chlorobenzonitrile N#Cc1ccc(Cl)cc1 Tox21_301477 -NCGC00256452-01 196719249 tox21-ror-cho-viability-p1 set2 -2.2 54.4826732819 -50.8454469851 0.8504377179 -49.9950092672 3.9899729863 0.9889548448 1.5E-9 -0.91442244 2.18122186 -0.33718593 0.79025732 1.24344866 0.83733609 -1.56017618 -0.92309385 1.72433367 2.05641522 -0.0249364 1.69917734 1.80954037 -11.62391177 -44.31440096 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 53-19-0 4211 144213121 A A o,p'-DDD Clc2ccccc2C(C(Cl)Cl)c1ccc(Cl)cc1 Tox21_302804 -NCGC00257283-01 196719255 tox21-ror-cho-viability-p1 set2 4 -0.45224159 -3.22310179 1.37215015 -1.94107826 -3.32855265 -2.30671595 1.07144234 -1.02438315 1.0334835 1.42436396 -1.38604714 -1.21881049 0.10527814 -0.64186205 -1.52347894 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 797-63-7 13109 144213960 A A Norgestrel O=C4CC[C@H]3C(CC[C@@H]2[C@@H]3CC[C@@]1(CC)[C@H]2CC[C@@]1(O)C#C)=C4 Tox21_303658 -NCGC00256465-01 196719261 tox21-ror-cho-viability-p1 set2 4 1.61228174 1.34565947 1.2446941 -0.41363826 0.02968884 0.2607286 1.15541403 -0.84610725 0.18678576 -0.49858552 -5.84051005 3.18056597 -0.0623055 3.34852935 2.21235692 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52918-63-5 40585 144213326 A I Deltamethrin Br/C(Br)=C/[C@H]3[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc1ccccc1)c2)C3(C)C Tox21_303009 -NCGC00254473-01 196719655 tox21-ror-cho-viability-p1 set3 4 5.4482673282 -11 12.5 1.5 0.7999999999 0.3547298515 0.3155562096 14.93564156 6.40190073 13.1018501 15.75564095 5.38514887 20.96882226 14.17889213 4.29814504 12.21146742 5.41242847 14.98204105 4.83995305 0.66662051 5.57862483 2.56529587 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-23-1 7641 144210881 A F Di(2-ethylhexyl) adipate O=C(CCCCC(=O)OCC(CC)CCCC)OCC(CCCC)CC Tox21_300564 -NCGC00254727-01 196719674 tox21-ror-cho-viability-p1 set3 4 -3.43632653 6.02774304 5.11187986 6.16203956 -2.99973866 2.38809828 0 10.61286609 12.70565897 -5.16146705 12.44625714 7.57796623 9.76858521 8.94824198 6.23017534 1.203E-9 2.6889999999E-9 6.014E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003759 0.000008404 0.000018789999999 0.00004202 0.000093959999999 3658-77-3 19309 144211140 FNS 4-Hydroxy-2,5-dimethyl-3(2H)furanone CC=1OC(C)C(=O)C=1O Tox21_300823 -NCGC00164164-02 196719677 tox21-ror-cho-viability-p1 set3 4 1.88984808 11.24483978 -5.05461882 0.55515718 -0.13514046 15.66949774 -14.88746046 2.39639703 6.67234047 -2.57653354 8.4780587 -2.10340128 6.76833488 4.67303389 0.39829945 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00254890-01 196720081 tox21-ror-cho-viability-p1 set3 -2.1 48.5577336745 -68.9269596599 -1.69549855 -70.6224582099 3.1319983358 0.9192517731 0.0001083554 -2.47458798 -7.82629908 3.49774584 -8.26506221 -2.49099753 2.13308254 -8.4274383 -6.6722218 3.31068412 -1.81104452 -5.9647181 3.98342625 3.0209471 -27.67750086 -62.97155925 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 115-32-2 8268 144211305 I Dicofol OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(Cl)(Cl)Cl Tox21_300988 -NCGC00090942-03 196716762 tox21-ror-cho-viability-p1 set2 -2.1 48.5577336745 -98.3119241999 -4.374061513 -102.6859857129 2.3331733767 0.9679557351 7.049E-7 -4.12497772 -6.7377438 -7.25107963 -9.01063103 -10.14360156 -6.16402711 -3.89122691 -3.94873844 -4.603588 -4.07745155 -2.0615054 0.2560739 -4.48743161 -49.56860369 -83.48454123 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00091499-05 196716758 tox21-ror-cho-viability-p1 set2 4 -0.10543932 4.62460532 4.9813968 1.94438536 3.1046097 -0.3939201 1.50867413 4.2301505 1.11166712 1.34121858 0.01837299 -0.43408685 2.77402838 0.84441933 0.90710253 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00254008-01 196719652 tox21-ror-cho-viability-p1 set3 2.4 0.086349218 27.67240414 -19.67240414 8 0.2 0.6911613371 0.0423253259 -10.17488892 -17.22700345 -7.73289882 -3.05204529 -9.37520732 -5.18723309 -3.65628285 -1.26143359 -4.12677299 -4.021754 -2.65806013 -1.95956099 -0.10545466 0.26943624 7.46912733 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-82-9 7622 144210340 FNS Tributylamine CCCCN(CCCC)CCCC Tox21_300020 -NCGC00254640-01 196719636 tox21-ror-cho-viability-p1 set3 4 0.0172289341 15.986942936 -14.486942936 1.5 0.3 0.604973363 0.0940557167 -10.20167597 -12.90578578 -4.50804909 -1.35362676 -7.90808851 -6.79310161 -0.26565569 -4.03289109 -5.32851204 -4.78393153 -2.02017535 -0.08290376 1.14949042 1.00401152 1.10690129 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10319-14-9 25152 144211051 Cc Fc C.I. Disperse Yellow 64 O=C4c1ccccc1C(=O)C4c2nc3ccccc3c(Br)c2O Tox21_300734 -NCGC00091080-03 196720044 tox21-ror-cho-viability-p1 set3 4 -4.97633488 -0.24524525 7.66323882 -2.74730872 -3.42093239 -3.94243429 2.64955761 -1.15357886 3.2096388 -1.83840965 3.09841315 6.88438985 -1.60980728 2.04345234 1.62989813 1.1199999999E-9 2.5029999999E-9 5.5979999999E-9 1.2519999999E-8 2.799E-8 6.259E-8 1.399E-7 3.129E-7 6.9969999999E-7 0.0000015649999999 0.000003499 0.000007823 0.000017489999999 0.00003912 0.00008747 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00254860-01 196720052 tox21-ror-cho-viability-p1 set3 4 0.0000613799 -25.42253619 -28.68933877 -19.06192756 -14.61511879 -10.72950229 -12.26623035 -0.13404918 -3.70717284 -2.78286838 -0.58886523 -2.12837993 1.51703233 -0.12774752 -3.90182986 3.10308013 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81777-89-1 54778 144211275 A A Clomazone Clc2ccccc2CN1OCC(C)(C)C1=O Tox21_300958 -NCGC00254971-01 196720054 tox21-ror-cho-viability-p1 set3 4 5.6375075 2.22154255 -4.07446439 3.14542636 3.64563794 -2.21779284 1.45744567 -1.44141358 -2.30861606 3.1787037 0.3042111 -0.03733948 4.388294 1.2849923 0.87346763 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-52-1 8056 144211387 1,4-Dibromobutane BrCCCCBr Tox21_301070 -NCGC00254803-01 196720063 tox21-ror-cho-viability-p1 set3 4 0.0117473162 -10.309419016 11 0.690580984 4.9549173134 0.580997777 0.1112542409 11.80246415 9.60920045 11.38048016 5.59780537 -2.39278403 6.8774791 -2.92458352 4.40055655 -5.08102502 -0.12623469 4.98798769 -5.25784918 2.49549987 2.56102383 3.0903418 1.039E-9 2.323E-9 5.1939999999E-9 1.161E-8 2.597E-8 5.8069999999E-8 1.2979999999E-7 2.903E-7 6.492E-7 0.0000014519999999 0.000003246 0.000007258 0.00001623 0.00003629 0.00008115 149358-73-6 53316400 144211216 CC Chloramine T hydrate (1:x) [Na+].O.O.Cc1ccc(cc1)S(=O)(=O)[N-]Cl Tox21_300899 -NCGC00254163-01 196720462 tox21-ror-cho-viability-p1 set3 4 0.968854161 -6.205389524 6 -0.205389524 3.9294729863 0.3745648818 0.3136029952 -0.99340424 5.10223302 8.95999182 8.43861145 3.49056436 10.74591697 3.16216055 7.4591152 6.71688305 -3.50449127 -1.98238168 6.36196996 -2.06152912 0.8333633 6.42807961 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-77-9 7577 144210461 A A 4,4'-Methylenedianiline Nc2ccc(Cc1ccc(N)cc1)cc2 Tox21_300141 -NCGC00162288-07 196716735 tox21-ror-cho-viability-p1 set2 4 0.5308038637 -2.450811884 1 -1.450811884 3.9294729863 0.3113600783 0.3645340868 -1.94228508 0.23548702 0.97348105 0.09704069 -0.10624939 1.86516855 0.17721397 6.29994791 0.44900101 -1.14812923 -1.71625148 0.01564441 -1.84961134 -0.71796364 -4.12567657 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 99-66-1 3121 170465446 Z Valproic acid sodium salt CCCC(CCC)C(=O)O Tox21_111091_1 -NCGC00018302-07 196716720 tox21-ror-cho-viability-p1 set2 4 4.20040419 0.01356323 1.00379909 1.12413739 3.93965984 -1.68894369 1.96066411 2.93964469 4.07361592 3.84948344 -0.1898763 -1.99842726 1.3150585 4.12810927 -2.14922701 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 133-67-5 5560 170464812 A Trichlormethiazide NS(=O)(=O)c2cc1c(NC(NS1(=O)=O)C(Cl)Cl)cc2Cl Tox21_110421_1 -NCGC00091888-09 196716726 tox21-ror-cho-viability-p1 set2 4 13.3331902297 -11.3656148599 0 -11.3656148599 1.0999999999 0.6362742265 0.0869917825 -1.46334413 -0.60446949 0.46904937 0.35444744 -2.98313477 3.12778541 -0.93328506 2.37778481 1.19874614 -1.36145264 -2.3880416 -3.16954718 -3.02862997 -7.80467905 -0.37415574 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118-56-9 8362 170465478 F 3,3,5-Trimethylcyclohexyl salicylate O=C(OC1CC(C)CC(C)(C)C1)c2ccccc2O Tox21_111174_1 -NCGC00016834-07 196716732 tox21-ror-cho-viability-p1 set2 4 0.94818037 -0.84570076 -0.12461308 -2.04333991 -1.63967646 1.70153498 9.9986941 8.19529613 0.91347156 -0.90164972 -0.28591928 -2.349067 -4.67995425 -1.97587994 -2.91026572 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 36330-85-5 3335 170465799 A Fenbufen O=C(CCC(=O)O)c1ccc(cc1)c2ccccc2 Tox21_110638_1 -NCGC00178086-03 196716739 tox21-ror-cho-viability-p1 set2 4 1.66414522 1.61993665 1.78135992 1.07409445 0.08004599 2.67348409 5.19350381 5.16172922 -1.10885353 -0.73951404 -0.49664155 -3.96183089 -0.46949218 -0.99275591 0.0434634 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5451-09-2 123608 170464700 Z Aminolevulinic acid hydrochloride Cl.NCC(=O)CCC(=O)O Tox21_111426_1 -NCGC00159372-04 196705198 tox21-ror-cho-viability-p1 set1 4 1.41408606 -1.20267982 5.12774854 -0.36813999 2.01293761 1.8974692 -2.59490023 1.76339244 1.39657906 0.33925111 0.43388918 1.56545296 5.06458721 0.39324103 -0.23109306 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 110-15-6 1110 170465738 Z Butanedioic acid O=C(O)CCC(=O)O Tox21_111612_1 -NCGC00188865-03 196704792 tox21-ror-cho-viability-p1 set1 4 29.8492948118 -17.443507248 1 -16.443507248 3.2974983358 0.8030866778 0.0075552288 1.27087598 3.98474858 -0.49191564 1.40142424 0.49042383 4.93533921 1.64111683 0.45494571 2.32938071 -1.13478572 -1.12101112 -0.6937255 -1.75654721 -2.48123495 -13.28625604 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 444731-52-6 10113978 170465625 A Pazopanib NS(=O)(=O)c1cc(ccc1C)Nc2nccc(n2)N(C)c3ccc4c(C)n(C)nc4c3 Tox21_113174_1 -NCGC00016258-06 196704797 tox21-ror-cho-viability-p1 set1 -2.1 29.8492948118 -118.3610362869 0.154442221 -118.2065940659 2.2481167061 0.9663642763 9.268E-7 -0.65882196 0.9080646 0.37775328 1.24579168 -0.41980021 -1.63197963 -0.89430779 1.66438067 3.90512774 0.76159662 1.10961732 1.03524661 -21.16239242 -28.69711851 -89.55045005 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-27-5 4055 170464997 F Menadione O=C2C=C(C)C(=O)c1ccccc12 Tox21_110334_1 -NCGC00247336-02 196705199 tox21-ror-cho-viability-p1 set1 4 75.7083142977 12.0567157999 -0.0567157999 12 4.9549173134 0.6766996767 0.0506143407 -1.60869999 -1.43363996 0.0116787 -0.84890875 0.45571784 2.95392295 -2.1305965 0.0841063 -0.53366884 3.19796979 -2.00319488 -1.51177854 0.08034907 -0.44913485 8.7691211 1.164E-9 2.6039999999E-9 5.822E-9 1.302E-8 2.911E-8 6.509E-8 1.4549999999E-7 3.255E-7 7.2769999999E-7 0.0000016269999999 0.000003639 0.000008136 0.00001819 0.00004068 0.000090969999999 795-38-0 5492898 144206438 A A Dihydroisocodeine COc1ccc2C[C@H]4N(C)CC[C@@]35[C@@H](Oc1c23)[C@H](O)CC[C@@H]45 Tox21_112885 -NCGC00181124-02 196705204 tox21-ror-cho-viability-p1 set1 4 1.00262601 2.06148412 3.47934405 0.28126571 0.03055054 7.83625431 -0.28214002 -0.26938972 0.35727338 1.87121157 -0.74603092 1.6993539 1.9145831 -0.28613562 4.3781761 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 90-39-1 644020 170465740 A Sparteine C3CCCN4C[C@@H]2C[C@@H](CN1CCCC[C@H]12)[C@@H]34 Tox21_110386_1 -NCGC00258637-01 196702736 tox21-ror-cho-viability-p1 set1 4 -0.44222542 -1.76466631 0.41377694 0.12286913 -0.58232662 7.59244235 1.3163354 1.45168161 -0.16628473 1.81383318 -1.12457501 2.46601266 2.87687527 4.21212153 4.40614156 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.314E-8 2.9369999999E-8 6.568E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.000003672 0.00000821 0.000018359999999 0.000041049999999 0.00009179 645-00-1 12574 144208283 A A 1-Iodo-3-nitrobenzene Ic1cccc(c1)[N+](=O)[O-] Tox21_201085 -NCGC00257678-01 196702311 tox21-ror-cho-viability-p1 set1 4 41.6976163712 11.479631888 -0.979631888 10.5 3.0654483358 0.4464342804 0.2286357778 5.23259065 1.13566466 2.23296592 -0.41811496 0.58751772 -6.13898128 -4.63473641 1.68829541 1.13230555 -6.64969324 -3.12884217 -4.83430123 0.12821466 4.34499534 9.71879359 1.144E-9 2.5579999999E-9 5.72E-9 1.2789999999E-8 2.8599999999E-8 6.395E-8 1.4299999999E-7 3.1979999999E-7 7.1499999999E-7 0.0000015989999999 0.000003575 0.000007994 0.00001787 0.00003997 0.00008937 693-95-8 12748 144207322 AC Ac 4-Methylthiazole Cc1cscn1 Tox21_200124 -NCGC00258499-01 196702325 tox21-ror-cho-viability-p1 set1 4 0.0024113945 29.565513024 -33.565513024 -4 0.8999999999 0.6739954156 0.0507568694 -24.63792752 -15.68208911 -11.97260126 -12.82479826 -12.11636894 0.36341787 1.53068061 -1.21374191 -7.93525049 -3.92629899 -8.23294201 -10.17250239 -1.10571329 -7.34265859 -4.5616199 1.171E-9 2.618E-9 5.8549999999E-9 1.3089999999E-8 2.927E-8 6.546E-8 1.464E-7 3.2729999999E-7 7.3189999999E-7 0.000001637 0.0000036589999999 0.000008183 0.0000183 0.000040909999999 0.00009148 320-60-5 9443 144208144 AC Fns 2,4-Dichlorobenzotrifluoride FC(F)(F)c1ccc(Cl)cc1Cl Tox21_200946 -NCGC00257875-01 196702729 tox21-ror-cho-viability-p1 set1 4 -3.61918485 1.64562121 -4.81391602 3.38211369 -4.63041231 -0.44301938 -11.20019847 -3.6950611 -8.94428095 -2.58315332 -0.54217556 -1.52181708 -3.44452264 -2.26072064 -13.96387865 1.175E-9 2.626E-9 5.873E-9 1.3129999999E-8 2.936E-8 6.566E-8 1.468E-7 3.2829999999E-7 7.341E-7 0.000001641 0.0000036699999999 0.000008207 0.00001835 0.00004104 0.00009176 50-79-3 5784 144207519 A A 2,5-Dichlorobenzoic acid OC(=O)c1cc(Cl)ccc1Cl Tox21_200321 -NCGC00258224-01 196702737 tox21-ror-cho-viability-p1 set1 4 -11.11458154 -7.86169469 -12.70359453 -5.9927455 -10.65578852 -7.7517696 -10.89670007 -10.39749189 -5.44329243 -8.52309309 -9.45037433 -8.35450068 -13.72828722 -12.01149663 -14.13775176 1.165E-9 2.606E-9 5.827E-9 1.303E-8 2.9139999999E-8 6.515E-8 1.457E-7 3.2579999999E-7 7.284E-7 0.000001629 0.0000036419999999 0.000008144 0.00001821 0.000040719999999 0.000091049999999 17700-09-3 28697 144207868 A A 2,3,4-Trichloronitrobenzene Clc1ccc([N+]([O-])=O)c(Cl)c1Cl Tox21_200670 -NCGC00258475-01 196702750 tox21-ror-cho-viability-p1 set1 -2.4 21.1177172445 -25.8307392199 -0.5 -26.3307392199 4.9549173134 0.9284474977 0.000057834 4.28872834 -0.61895959 0.45128779 -4.04862956 -1.14025808 -4.86627294 -0.23395203 0.07175796 3.13311265 -1.01161231 -4.29475278 -0.55878573 -7.75510818 -25.9761026 -26.10894935 1.154E-9 2.5809999999E-9 5.772E-9 1.291E-8 2.886E-8 6.453E-8 1.443E-7 3.227E-7 7.215E-7 0.0000016129999999 0.000003607 0.000008066 0.000018039999999 0.000040329999999 0.00009018 159989-65-8 64142 144208119 A A Nelfinavir mesylate CS(=O)(=O)O.Oc1cccc(c1C)C(=O)N[C@@H](CSc2ccccc2)[C@H](O)CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C Tox21_200921 -NCGC00257767-01 196702751 tox21-ror-cho-viability-p1 set1 -3 61.6904908231 -45.0054782604 3.2826937514 -41.722784509 4.0449729863 0.8899001707 0.0005192177 7.42297859 1.93764088 2.60745446 9.93931496 3.89416612 5.99934633 0.29891528 0.38089914 7.13591515 0.56334999 2.6234101 0.04645217 -3.44116876 -3.4528517 -34.40681001 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.000092909999999 54574-82-2 1910825 144207411 A A 2-[4-(Dibutylamino)-2-hydroxybenzoyl]benzoic acid O=C(c1ccc(cc1O)N(CCCC)CCCC)c2ccccc2C(=O)O Tox21_200213 -NCGC00164127-03 196720489 tox21-ror-cho-viability-p1 set3 -2.2 61.130564862 -38.1869057832 -3.5 -41.6869057832 3.5117481694 0.7778309041 0.0122431983 -9.4952401 -13.27152873 2.09671103 0.07166143 -1.50042083 1.60970379 2.31747428 -6.63361448 -5.64357481 -5.16212399 -1.31256824 -4.84082455 -2.15551964 -11.21149704 -34.61129226 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00182995-01 196726190 tox21-ror-cho-viability-p1 set3 4 -0.43952935 2.75254754 0.74127651 -0.27861298 -0.97438237 2.56777911 2.95109376 5.09730577 3.3761132 -0.0726744 1.16268148 0.0973693 2.73486866 4.68636743 3.75822596 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21590-92-1 3309 144206828 A A Etomidoline O=C4c1ccccc1C(Nc3ccc(OCCN2CCCCC2)cc3)N4CC Tox21_113277 -NCGC00254237-01 196720498 tox21-ror-cho-viability-p1 set3 4 0.0043277126 8.794588848 -9.794588848 -1 1.21 0.3646947371 0.3075069501 -6.64769221 -9.82882404 -3.27648137 -1.01705988 -1.13695566 -7.54889787 0.88188249 2.60820415 2.09565859 -0.30580515 -3.36983433 -6.55859905 1.95944942 2.37250914 -2.25724024 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-50-1 5988 144210728 A Sucrose O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O Tox21_300410 -NCGC00091902-08 196720086 tox21-ror-cho-viability-p1 set3 4 -2.9409375 2.12570476 -16.36202331 -1.09256686 -8.48559216 -10.21249839 0.29602387 -2.86339096 -1.69825938 -0.69004525 -0.02494792 -1.46504232 1.9573543 -8.36094544 1.25975788 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00091009-05 196720492 tox21-ror-cho-viability-p1 set3 4 0.0038871002 8.423672076 -8.423672076 0 4.9549173134 0.4054100049 0.2677265938 -7.07947708 -9.51972673 -0.62228374 3.60962807 -3.37282248 -0.18276042 3.54225138 2.16756987 2.32215774 4.2698929 -3.38636935 4.05948783 -7.13126114 -4.36111949 -1.44860587 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00254694-01 196720506 tox21-ror-cho-viability-p1 set3 4 0.019291871 7.1762317239 -3.1762317239 4 4.9549173134 0.4617042779 0.2141394828 0.39495036 -0.63659272 -6.02947392 -6.39685977 6.88800463 -2.09967844 8.99050258 7.9639597 2.90568973 4.53657103 4.02105269 0.64184299 6.91395383 0.25269194 5.41756066 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 57837-19-1 42586 144211107 A A Metalaxyl CC(N(C(=O)COC)c1c(C)cccc1C)C(=O)OC Tox21_300790 -NCGC00259324-01 196720908 tox21-ror-cho-viability-p1 set3 -1.2 30.3265518896 -33.4866304344 -4.279976676 -37.7666071104 4.9549173134 0.9357875644 0.00003255 -4.1051957 -7.18874199 -2.51844527 -1.06664723 -8.17511472 -8.76208136 -3.44511515 -8.4625236 -3.1457097 -1.98567252 -2.61524639 -7.08272778 -2.44218139 -31.90156729 -39.34021574 1.1699999999E-9 2.6159999999E-9 5.85E-9 1.3079999999E-8 2.925E-8 6.54E-8 1.462E-7 3.27E-7 7.3119999999E-7 0.000001635 0.000003656 0.000008175 0.00001828 0.00004088 0.0000914 103-34-4 7648 144208973 A A 4,4'-Dithiodimorpholine S(SN1CCOCC1)N2CCOCC2 Tox21_201775 -NCGC00258908-01 196720914 tox21-ror-cho-viability-p1 set3 4 -1.44141681 -3.36364221 -4.22443599 1.21313703 -3.49855639 -12.49138974 -3.06495576 -0.88582915 -3.80129011 -0.74933023 -1.57398161 -1.46250379 -2.12583325 -2.01895763 1.28759189 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.397E-7 0.0000016539999999 0.0000036989999999 0.0000082699999999 0.000018489999999 0.00004135 0.00009247 1918-00-9 3030 144208554 A A Dicamba COc1c(c(Cl)ccc1Cl)C(=O)O Tox21_201356 -NCGC00258953-01 196720922 tox21-ror-cho-viability-p1 set3 -2.1 54.2611240406 -69.6700050499 -4.2787610789 -73.9487661288 3.1319983358 0.9945717874 0 -5.74038078 -6.80165321 -5.01219364 -2.26796695 -3.38486844 -4.99968842 -4.03503419 -4.57614773 -4.30116384 -3.8428872 -3.70606352 -4.205601 -4.80218235 -24.26836317 -62.83997434 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.4699999999E-7 3.2859999999E-7 7.3479999999E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004108 0.00009185 3194-55-6 18529 144208600 A A 1,2,5,6,9,10-Hexabromocyclododecane BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br Tox21_201402 -NCGC00259363-01 196721312 tox21-ror-cho-viability-p1 set3 4 38.2180279848 11.4731013799 -5.9731013799 5.5 3.0654483358 0.8592605563 0.0017272697 -7.89425115 -6.0367701 -4.42968487 -5.02093137 -3.5625359 -6.45434062 -6.08098834 -7.03910526 -5.94151033 -3.52207816 -6.46650022 -6.55343894 -4.8863973 0.19590824 4.80988733 1.171E-9 2.618E-9 5.854E-9 1.3089999999E-8 2.927E-8 6.545E-8 1.463E-7 3.2719999999E-7 7.317E-7 0.0000016359999999 0.0000036589999999 0.0000081809999999 0.00001829 0.0000409 0.000091469999999 54-11-5 89594 144209012 A A Nicotine CN2CCC[C@H]2c1cnccc1 Tox21_201814 -NCGC00254936-01 196720472 tox21-ror-cho-viability-p1 set3 4 8.6349217992 19.472002692 -9.472002692 10 0.3 0.6031015603 0.0950430571 -6.84855529 -7.37417099 -10.6636946 -12.47666891 -3.84145863 -0.96589945 -1.21997849 -3.13318193 -5.60442557 -6.76725952 1.18097383 0.00773541 -2.827451 3.26869665 7.35707916 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-45-7 2723650 144211351 A Ac Ethylene thiourea S=C1NCCN1 Tox21_301034 -NCGC00160482-02 196722892 tox21-ror-cho-viability-p1 set3 4 1.333319023 -11.759996968 0.5 -11.259996968 1.331 0.9501603451 0.0000083819 2.00300909 -0.81287361 0.58619164 1.06174643 -1.7141137 1.24732445 0.33353355 -0.94670437 0.2274733 -4.62710735 -5.32278122 -9.62386236 -11.03425906 -10.0742997 -11.46666414 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 152-47-6 9047 170465930 A Sulfalene COc2nccnc2NS(=O)(=O)c1ccc(N)cc1 Tox21_111844_1 -NCGC00254361-01 196720481 tox21-ror-cho-viability-p1 set3 4 12.1971512362 10.133162352 -6.133162352 4 0.6999999999 0.6486462909 0.0658213095 -2.72862503 -7.79909491 -7.69062359 -7.4510759 -4.11168202 -8.44430196 -4.95950305 -3.58445391 -5.69267871 -2.94399831 -5.62839654 1.76274519 -2.94888172 0.63587168 3.08241572 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3871-99-6 23678874 144210714 PFHS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300396 -NCGC00254862-01 196720463 tox21-ror-cho-viability-p1 set3 -1.1 6.1130564862 -65.4208663672 -6.348975351 -71.7698417182 2.4063783767 0.9446587705 0.000014598 -12.18735812 -16.22564006 -4.65362957 -1.2557671 -11.09278222 -5.80764589 -1.95816068 -4.87314763 -5.43021358 -5.02803138 -15.53890792 -56.60011084 -52.70522919 -79.67631541 -74.07503254 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1085-98-9 14145 144211277 A A Dichlofluanid CN(C)S(=O)(=O)N(SC(Cl)(Cl)F)c1ccccc1 Tox21_300960 -NCGC00254408-01 196720477 tox21-ror-cho-viability-p1 set3 4 5.4482673282 -11.4874533319 -2 -13.4874533319 0.7999999999 0.411727849 0.261133751 -3.59326456 -10.46849877 -5.64548832 0.07140912 6.47823585 -8.79872998 -1.47497645 -3.6340551 -1.33370328 -4.34818653 -6.08560622 -11.14876507 -11.94903445 -9.17580232 -12.90621111 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 115-86-6 8289 144210822 A A Triphenyl phosphate O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3 Tox21_300504 -NCGC00095042-06 196720483 tox21-ror-cho-viability-p1 set3 4 0.0010213056 17.054975596 -18.554975596 -1.5 0.5 0.3644535388 0.3075166236 -6.78141105 -15.87914633 -1.20821306 -1.43814712 -7.06985898 -4.32817162 -0.97600471 -6.49996726 -1.43644128 -0.53034331 0.08027739 -4.19999182 -1.98810548 -0.49520289 -1.61994133 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00259681-01 196720899 tox21-ror-cho-viability-p1 set3 4 -5.35885854 7.18330931 -0.91465883 1.24975848 6.79715196 2.2412975 -3.53910646 -1.02280925 -2.34634562 1.9411057 -1.86718569 3.23664389 -0.34970618 6.74466651 -2.5062789 1.249E-9 2.7929999999E-9 6.2449999999E-9 1.3959999999E-8 3.123E-8 6.9819999999E-8 1.5609999999E-7 3.491E-7 7.8059999999E-7 0.0000017459999999 0.000003903 0.000008728 0.00001952 0.000043639999999 0.00009758 59-89-2 6046 144209330 A A N-Nitrosomorpholine O=NN1CCOCC1 Tox21_202132 -NCGC00260008-01 196721277 tox21-ror-cho-viability-p1 set3 4 -5.64838922 -4.90468066 -3.91286208 -1.72212673 -2.89487488 -3.63825554 -3.99458959 -5.05095053 -3.04932451 -5.63934223 -5.08730689 -3.45740301 -5.57250801 -0.77373209 -7.26183951 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.586E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009204 106-40-1 7807 144209657 A A 4-Bromoaniline Nc1ccc(Br)cc1 Tox21_202459 -NCGC00259795-01 196721287 tox21-ror-cho-viability-p1 set3 4 -9.35336012 -5.91724561 -7.40251209 -8.05737738 -1.32269488 2.80477908 0.84976073 -0.24010158 -7.58991364 -2.6059919 -2.45005628 -14.54426365 -9.74647871 -6.22908997 -4.90717416 1.2069999999E-9 2.7E-9 6.037E-9 1.3499999999E-8 3.019E-8 6.75E-8 1.509E-7 3.375E-7 7.547E-7 0.000001687 0.000003773 0.0000084369999999 0.00001887 0.000042189999999 0.00009433 60-51-5 3082 144209444 A C Dimethoate COP(=S)(OC)SCC(=O)NC Tox21_202246 -NCGC00259913-01 196721295 tox21-ror-cho-viability-p1 set3 4 -4.92550909 -4.85323325 -1.51223224 1.96005534 -7.16729154 -3.8995273 -6.68820954 -4.33344582 -7.45750994 -3.98223966 -7.57299194 -5.36302107 -6.71255021 -1.70339118 0.73320088 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.476E-7 3.3009999999E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008253 0.00001846 0.00004127 0.000092279999999 104-15-4 6101 144209562 A A 4-Methylbenzenesulfonic acid Cc1ccc(cc1)S(O)(=O)=O Tox21_202364 -NCGC00259500-01 196721698 tox21-ror-cho-viability-p1 set3 4 -15.24372333 -7.78547868 -8.8761507 1.06640664 2.18165501 -12.23563869 -8.53542212 -9.1602022 -5.86702777 -0.98269147 -14.62138689 -9.26693642 -5.20509024 -0.13812401 0.80826842 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.593E-8 1.474E-7 3.297E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009214 25057-89-0 2328 144209149 A A Bentazone CC(C)N1C(=O)c2ccccc2NS1(=O)=O Tox21_201951 -NCGC00259713-01 196722080 tox21-ror-cho-viability-p1 set3 4 49.5470150129 13.35005552 -8.85005552 4.5 3.9899729863 0.4133360213 0.2596371779 -6.27604052 -9.93118399 -2.65120398 -3.82250653 -11.09174117 -15.7083796 -14.24809669 -6.0297588 -11.46342069 -2.92269725 -13.22886186 -8.70332425 -10.39377607 -4.14718649 3.50926033 1.1999999999E-9 2.683E-9 6E-9 1.3419999999E-8 3E-8 6.708E-8 1.5E-7 3.3539999999E-7 7.5E-7 0.000001677 0.0000037499999999 0.000008385 0.00001875 0.00004193 0.00009375 110-43-0 8051 144209362 AC Fns 2-Heptanone CC(=O)CCCCC Tox21_202164 -NCGC00259658-01 196705637 tox21-ror-cho-viability-p1 set1 4 3.60872213 5.19291083 -5.28231429 2.18658137 0.53407176 0.0524026 -0.49378584 -3.81420166 -11.5898488 8.50589489 -0.58719101 0.44697724 5.03747966 5.61304053 4.7031829 1.1699999999E-9 2.617E-9 5.852E-9 1.3079999999E-8 2.926E-8 6.542E-8 1.463E-7 3.271E-7 7.315E-7 0.0000016359999999 0.000003657 0.000008178 0.00001829 0.000040889999999 0.00009143 118-56-9 8362 144209307 A F 3,3,5-Trimethylcyclohexyl salicylate O=C(OC1CC(C)CC(C)(C)C1)c2ccccc2O Tox21_202109 -NCGC00096056-02 196705212 tox21-ror-cho-viability-p1 set1 4 -3.92249001 -2.13673334 -1.83679477 -4.62886584 -4.45241381 -1.40222539 -1.4695501 -0.87250264 -2.33987658 0.91044142 -2.30330786 -0.30681151 -2.60248005 0.25821294 0.89886741 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6402-23-9 165457 170465798 A Ethacridine lactate hydrate O.O=C(O)C(C)O.CCOc1ccc2nc3cc(N)ccc3c(N)c2c1 Tox21_111957_1 -NCGC00264003-02 196705221 tox21-ror-cho-viability-p1 set1 4 -2.412369 1.15579938 -0.50051758 -1.95543432 0.49213152 -0.57576851 -0.94963934 -0.33260057 -1.26909892 0.37916013 -1.10589558 -0.6538671 0.08556783 -2.92636092 -3.43568654 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27887-84-9 197883 170465255 F (2R,3R)-2,3-Dimercaptosuccinic acid O=C(O)[C@@H](S)[C@H](S)C(O)=O Tox21_110015_1 -NCGC00259396-01 196705624 tox21-ror-cho-viability-p1 set1 4 -2.26581822 0.95640723 -1.34085645 5.60879869 0.11675901 -2.74937815 -4.22414072 -1.61329974 -15.06233997 10.83070544 1.17258443 2.27096934 -3.40312818 -2.57755952 -6.40236864 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004133 0.000092409999999 120-36-5 8427 144209045 A A Dichlorprop Clc1cc(Cl)ccc1OC(C)C(=O)O Tox21_201847 -NCGC00259861-01 196706030 tox21-ror-cho-viability-p1 set1 4 31.5123158801 -26.75542384 0 -26.75542384 1.111 0.6291295113 0.076937512 -1.05266401 6.98696663 1.79870893 -4.12346367 -4.59442948 4.69893102 5.98489257 -4.43664598 -11.56235367 4.8932887 -0.52943412 -7.96880869 -10.21979612 -11.29725511 -23.9628532 1.208E-9 2.702E-9 6.042E-9 1.3509999999E-8 3.021E-8 6.7549999999E-8 1.51E-7 3.3769999999E-7 7.552E-7 0.000001689 0.0000037759999999 0.0000084429999999 0.00001888 0.00004222 0.0000944 78-59-1 6544 144209510 B B Isophorone O=C1C=C(C)CC(C)(C)C1 Tox21_202312 -NCGC00090874-04 196706034 tox21-ror-cho-viability-p1 set1 4 6.0135433 2.23874522 -1.19457793 5.51841381 -0.235456 1.41427588 0.52686696 0.36734431 0.61557789 12.52498892 0.51387813 0.25490039 -0.09631467 -4.46305579 2.50635592 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00160537-04 196706040 tox21-ror-cho-viability-p1 set1 4 -10.20130107 -4.48135204 -11.56262931 -11.98257088 -6.13931476 -5.30584643 -4.65783698 -5.89675025 -7.91903703 -8.2896578 6.24851766 -19.48736441 -9.91743406 -24.81108391 -15.92033743 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00259733-01 196706049 tox21-ror-cho-viability-p1 set1 4 1.3964246141 8.325040824 -8.916120956 -0.591080132 0.9999999999 0.7774973097 0.0168909143 -10.50522539 -5.88839391 -8.95357358 -10.76343413 -8.65840171 -6.83830129 -7.93463488 -9.03196952 -3.647016 -6.76062143 -1.51966691 -1.02989926 -2.72059655 -0.07590011 -7.22711431 1.1999999999E-9 2.684E-9 6.002E-9 1.3419999999E-8 3.0009999999E-8 6.711E-8 1.501E-7 3.355E-7 7.5029999999E-7 0.0000016779999999 0.0000037519999999 0.0000083889999999 0.00001876 0.000041939999999 0.00009379 79277-27-3 73674 144209382 C C Thifensulfuron-methyl O=S(=O)(NC(=O)Nc1nc(C)nc(OC)n1)c2ccsc2C(=O)OC Tox21_202184 -NCGC00090942-03 196706447 tox21-ror-cho-viability-p1 set1 -2.1 68.5896218971 -107.4776288382 -4.810288521 -112.2879173592 3.6272481694 0.946993173 0.0000115557 -12.81454068 -4.2768535 -8.48276944 -15.59883755 -2.4315463 -6.80458086 0.00840014 -5.68118853 3.03628115 0 0.20781089 -5.42339931 -5.58972075 -19.52130552 -85.06660406 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00259371-01 196706860 tox21-ror-cho-viability-p1 set1 4 30.70018354 -13.953336076 2 -11.953336076 2.7202212143 0.699043632 0.0387821776 1.69811803 -0.81257156 2.42899824 8.11848685 -0.19188559 0.76663281 1.38630398 -0.28626122 2.54080489 7.63978559 -0.37697455 0.02629049 0.05289925 -8.36843332 -10.79444673 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.61E-8 1.4779999999E-7 3.305E-7 7.3899999999E-7 0.0000016519999999 0.0000036949999999 0.000008262 0.000018469999999 0.00004131 0.00009237 25013-16-5 8456 144209020 A A Butylated hydroxyanisole CC(C)(C)c1cc(ccc1O)OC Tox21_201822 -NCGC00259084-01 196706861 tox21-ror-cho-viability-p1 set1 4 8.60971398 -1.87095767 -0.18412013 2.68840624 -1.74700198 -2.76241811 0.15891548 2.03362491 8.47767663 -2.44919485 1.91822142 -0.1899266 0.07139439 0.14372034 5.37651315 1.211E-9 2.709E-9 6.0569999999E-9 1.3539999999E-8 3.028E-8 6.772E-8 1.514E-7 3.386E-7 7.5709999999E-7 0.000001693 0.0000037849999999 0.000008464 0.00001893 0.00004232 0.00009464 756-79-6 12958 144208732 A Ac Dimethyl methylphosphonate CP(=O)(OC)OC Tox21_201534 -NCGC00357035-01 196703996 tox21-ror-cho-viability-p1 set1 4 0.4327712569 4.2867411479 -3.7867411479 0.5 4.9549173134 0.3705409508 0.3031300334 -0.5381079 -7.32228429 -5.15531239 -0.6514873 0.58709479 -4.42756597 -6.02177695 -4.70222085 3.41780171 0.56762844 3.15378818 -0.53579722 -0.1426387 -3.40216382 0.45681303 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 622-45-7 12146 251919925 A Cyclohexyl acetate O=C(C)OC1CCCCC1 Tox21_303723 -NCGC00260467-01 196703980 tox21-ror-cho-viability-p1 set1 4 15.2616579691 -14.148028308 1.5 -12.648028308 4.4494702849 0.9039141767 0.0002660635 -0.65741306 1.91691255 2.53457561 -1.3071177 -0.11206346 2.7219119 2.36212299 -0.4147982 4.3762641 2.64946889 2.4668879 2.75329571 -9.45386828 -13.04002359 -10.98729316 1.1739999999E-9 2.625E-9 5.87E-9 1.3129999999E-8 2.9349999999E-8 6.5629999999E-8 1.468E-7 3.282E-7 7.338E-7 0.000001641 0.000003669 0.000008204 0.00001834 0.00004102 0.00009172 50438-75-0 93252 144210119 A A p-N,N-Dimethylaminophenethanol CN(C)c1ccc(CCO)cc1 Tox21_202921 -NCGC00257026-01 196726792 tox21-ror-cho-viability-p1 set3 4 0.2433651621 -11.960519432 5 -6.960519432 4.9549173134 0.4768752756 0.1990604491 9.55333269 0.84117944 5.791471 4.34359447 4.16017855 3.59704648 7.08076201 -7.38374133 -6.08790911 -15.47003875 -19.55043286 3.80194134 2.04780495 0.04094691 -10.49985215 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-54-6 228987 144213424 B D 3-(4-tert-Butylphenyl)-2-methylpropanal CC(C)(C)c1ccc(CC(C)C=O)cc1 Tox21_303107 -NCGC00260290-01 196724364 tox21-ror-cho-viability-p1 set3 4 -6.27937456 6.24573644 -3.93806728 0.00298725 3.51700538 1.13305877 -5.92520794 -0.14633321 -1.93970466 2.09828395 1.12777085 -4.39640277 1.4928515 -2.61469896 2.58393702 2.84E-10 6.351E-10 1.42E-9 3.175E-9 7.1E-9 1.5879999999E-8 3.5499999999E-8 7.939E-8 1.775E-7 3.9689999999E-7 8.8759999999E-7 0.000001985 0.000004438 0.000009923 0.00002219 136-51-6 61082 144209940 A Calcium 2-ethylhexanoate [Ca+2].[O-]C(=O)C(CC)CCCC.CCC(CCCC)C([O-])=O Tox21_202742 -NCGC00357110-01 196724374 tox21-ror-cho-viability-p1 set3 -3 61.130564862 -56.357203488 -0.867336643 -57.224540131 4.9549173134 0.8857569057 0.000621124 -10.68966262 -10.87392379 0.41754281 -6.21005367 0.93898938 3.09833458 1.09759424 1.48349544 2.1570938 2.57009414 0.89316571 2.17819185 1.94427299 -7.57699796 -50.57503185 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13080-86-9 83119 251919861 A 4,4'-(Isopropylidenebis(4,1-phenyleneoxy))dianiline Nc1ccc(cc1)Oc2ccc(cc2)C(C)(C)c3ccc(cc3)Oc4ccc(N)cc4 Tox21_303839 -NCGC00015819-15 196725197 tox21-ror-cho-viability-p1 set3 4 2.20948739 2.048845 1.59830356 -1.83994671 3.31291715 7.05256595 5.95044114 3.90531691 -0.27198548 10.21663529 12.74336046 3.90742398 5.97149132 2.41187838 4.05145821 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54063-53-5 4932 170464755 A Propafenone hydrochloride CCCNCC(O)COc2ccccc2C(=O)CCc1ccccc1 Tox21_110228_1 -NCGC00091499-05 196725204 tox21-ror-cho-viability-p1 set3 4 0.0343762429 10.5 1 11.5 1.4787409999 0.6871363047 0.044294996 0.46917244 0.63955084 3.62444724 1.83498396 7.52091175 5.54366832 11.23173744 13.65701642 16.48700778 12.45099467 3.99647043 13.20964661 12.30401252 12.96097064 8.48795575 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00167547-02 196725208 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -105.5893126715 4.5591057896 -101.0302068819 4.9549173134 0.8185319991 0.0052421852 1.49548653 -0.29461292 -6.23218662 -3.12381499 -1.73141849 -0.65215792 20.28766861 -7.3313871 13.78684376 14.76938118 -3.80362504 -6.33773901 18.61882027 18.71218471 -93.68997613 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 666-99-9 12629 170465652 F Agaric acid O=C(O)C(CCCCCCCCCCCCCCCC)C(O)(CC(=O)O)C(=O)O Tox21_112543_1 -NCGC00016547-08 196725604 tox21-ror-cho-viability-p1 set3 4 0.0749780386 5.8924929279 -5.8924929279 0 4.9549173134 0.424140399 0.2667593323 -7.17595021 -3.33991799 -7.82707744 -3.94222278 -5.6308201 -6.62213898 -3.1839861 6.65694654 -0.36867769 0.31523955 5.44215768 -7.11036197 -2.94387198 -0.92157949 -9.48580878 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 882-09-7 2797 170466427 Ac Clofibric acid Clc1ccc(OC(C)(C)C(=O)O)cc1 Tox21_110486_1 -NCGC00254438-01 196699603 tox21-ror-cho-viability-p1 set1 4 4.3277125691 -4.6215311199 1.5 -3.1215311199 4.9549173134 0.4750768352 0.2216339438 -0.60669342 3.94440077 1.23311144 0.50794067 0.64175874 0.75774082 -0.6831514 3.04239854 5.93906758 1.23329817 0.57196165 -5.5179426 -3.88931618 0.00071619 1.95649685 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 261947-38-0 10145345 144210761 A A CP-532623 FC(F)(F)c1cc(cc(c1)C(F)(F)F)CN([C@H]3C[C@@H](CC)N(c2ccc(cc23)C(F)(F)F)C(=O)OC(C)C)C(C)=O Tox21_300443 -NCGC00091351-03 196699604 tox21-ror-cho-viability-p1 set1 4 -0.78627417 0.67511377 -0.61916558 -0.58092426 -1.51730115 0.67148509 1.25454459 -2.17237127 -0.4308191 -2.03140854 8.20244383 -3.65465946 7.9243589 0.24953812 1.31908454 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00254700-01 196699594 tox21-ror-cho-viability-p1 set1 4 8.6349217992 6.7672847399 -3.2672847399 3.5 3.9294729863 0.7318414779 0.0259357669 -4.12466117 -2.06572689 -0.24755455 -2.79991178 -6.88940395 -3.79193699 -3.38944342 -2.46734634 -3.46906973 -5.52858617 -2.52857001 -0.42820382 4.66596263 1.09885764 4.10088984 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81335-37-7 54739 144211113 A A Imazaquin CC1(N=C(NC1=O)c2nc3ccccc3cc2C(=O)O)C(C)C Tox21_300796 -NCGC00255048-01 196699601 tox21-ror-cho-viability-p1 set1 -2.4 68.1713220381 -28.676662456 0.5 -28.176662456 4.9549173134 0.8761219022 0.0009243351 0.87544653 1.03280073 1.86259686 -2.27617025 -6.06179951 0.1661395 2.95118153 0.997448 2.23564492 1.98988352 -0.84475204 0.20567429 1.09674217 0.52491062 -23.06388538 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 97886-45-8 91757 144211467 A A Dithiopyr FC(F)(F)c1nc(c(c(CC(C)C)c1C(=O)SC)C(=O)SC)C(F)F Tox21_301150 -NCGC00254433-01 196700002 tox21-ror-cho-viability-p1 set1 -2.4 54.4826732819 -28.405526608 0.5 -27.905526608 3.5722481694 0.9766391041 1.172E-7 2.26170037 -0.01619816 -0.41217142 0.09321335 2.01802351 1.24035456 0.13744291 -0.20997738 0.7879865 1.76160321 -0.96380039 2.12164251 0.17236914 -7.43774233 -24.08793884 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-66-7 31222 144210810 C 1,2-Diphenylhydrazine N(Nc1ccccc1)c2ccccc2 Tox21_300492 -NCGC00253969-01 196700013 tox21-ror-cho-viability-p1 set1 4 24.3365162115 -11.853734952 1 -10.853734952 4.9549173134 0.9009715877 0.0005767154 0.63658393 1.3560292 -0.02598841 1.11385184 0.7942919 2.63387676 1.34589057 3.5389888 1.30589694 -0.16858454 0.23814792 0.98786384 -1.31415015 -9.87811246 -1.80563733 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 220860-50-4 9831581 144210528 A A CP-457920 CCOc1ccc2NC=C(C(=O)c2n1)C(=O)NCc3ccccc3 Tox21_300208 -NCGC00255704-01 196700416 tox21-ror-cho-viability-p1 set1 -2.1 55.4567832011 -70.9789648011 -1.7477441899 -72.726708991 4.9549173134 0.9816378851 2.9E-8 -4.76565133 -4.66407916 -1.06446289 2.21814905 -1.18216146 -2.45761656 -0.22186875 -4.00363415 0.39809863 -2.50277246 -4.6498198 2.07662695 -1.55570312 -10.99537571 -65.25929285 1.088E-9 2.432E-9 5.439E-9 1.216E-8 2.7189999999E-8 6.08E-8 1.36E-7 3.0399999999E-7 6.7979999999E-7 0.0000015199999999 0.000003399 0.000007601 0.000017 0.000037999999999 0.00008498 122-18-9 31202 144212396 A A Benzylhexadecyldimethylammonium chloride [Cl-].C[N+](C)(Cc1ccccc1)CCCCCCCCCCCCCCCC Tox21_302079 -NCGC00255815-01 196700428 tox21-ror-cho-viability-p1 set1 -1.1 12.1227658336 -96.282110879 -1.592498897 -97.874609776 1.6266150999 0.976439174 1.22E-7 -1.11391022 -0.21329639 0.56999499 0.8010389 -7.42685191 -4.80265285 -1.58053286 0.45000587 -7.99864487 -4.59929244 -8.08276077 -29.23299045 -76.40836495 -90.12395007 -85.56365313 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 594-30-9 299728 144212639 F Triphenylbismuthine dichloride Cl[Bi](Cl)(c1ccccc1)(c2ccccc2)c3ccccc3 Tox21_302322 -NCGC00256169-01 196700837 tox21-ror-cho-viability-p1 set1 4 2.57213308 -0.28493626 2.75832745 0.97138109 1.7437286 4.97442568 1.71554262 6.17535034 3.0854756 -1.24738929 -0.10836181 -0.33312349 0.25566531 4.97475428 4.22109714 8.7889999999E-10 1.965E-9 4.394E-9 9.826E-9 2.1969999999E-8 4.913E-8 1.099E-7 2.457E-7 5.493E-7 0.000001228 0.0000027469999999 0.000006141 0.000013729999999 0.00003071 0.00006866 26115-70-8 117734 144211601 F Fns 1,3,5-Tris[3-(trimethoxysilyl)propyl]-1,3,5-triazinane-2,4,6-trione CO[Si](OC)(OC)CCCN1C(=O)N(CCC[Si](OC)(OC)OC)C(=O)N(CCC[Si](OC)(OC)OC)C1=O Tox21_301284 -NCGC00255301-01 196700842 tox21-ror-cho-viability-p1 set1 4 0.82714581 -0.91487053 -0.06938113 1.67355336 0.44956507 1.14219748 0.01319355 0.73137963 -1.09826257 7.02438294 2.33923372 -1.17058749 0.89868509 2.41533687 2.06420032 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2873-97-4 17888 144212434 A A Diacetone acrylamide C=CC(=O)NC(C)(C)CC(=O)C Tox21_302117 -NCGC00255453-01 196700844 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -36.508742776 0 -36.508742776 3.2974983358 0.8575132838 0.001783002 4.12748729 -0.20256648 -2.55694496 0.16235439 -0.27660481 -4.70091437 2.69491533 1.35480135 -3.33502034 -0.23428019 3.98524183 1.4208692 -5.74003775 -4.87236272 -27.09061898 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5930-28-9 80037 144211957 A A 4-Amino-2,6-dichlorophenol Clc1cc(N)cc(Cl)c1O Tox21_301640 -NCGC00163930-04 196701923 tox21-ror-cho-viability-p1 set1 4 27.3060203028 -12.602977332 2.5 -10.102977332 4.9549173134 0.8149846109 0.0083710443 4.28506946 1.40721957 1.69074187 3.99190201 3.99541187 1.10629538 2.68090908 2.58988356 4.24183598 1.12310116 2.36001728 -0.57375773 2.44102231 -9.25248111 -1.49198847 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00258017-01 196702342 tox21-ror-cho-viability-p1 set1 4 0.0149968494 4.817580544 -0.317580544 4.5 4.9549173134 0.3863442095 0.2879744536 0.28945543 -0.4935283 -0.34782771 0.58300892 6.04531252 8.18889706 1.12258167 6.73654423 4.90546321 4.08022871 3.48012226 -1.93131712 3.62361605 8.27055498 4.2319481 1.157E-9 2.586E-9 5.7829999999E-9 1.293E-8 2.892E-8 6.466E-8 1.446E-7 3.2329999999E-7 7.229E-7 0.000001616 0.000003615 0.000008082 0.000018069999999 0.000040409999999 0.00009036 14643-87-9 159747 144207661 A A Zinc diacrylate [Zn+2].C=CC(=O)[O-].[O-]C(=O)C=C Tox21_200463 -NCGC00257640-01 196701525 tox21-ror-cho-viability-p1 set1 4 0.1343529955 -5.8681894639 1.5 -4.3681894639 2.7202212143 0.5092402216 0.188427043 -1.14962606 3.4494904 -1.82667803 4.08359993 1.48739235 1.20535285 -1.71877675 -4.34365712 -2.82662763 -4.57818161 -4.85645905 -1.3405477 -0.98644174 -10.72349122 7.22382374 1.162E-9 2.599E-9 5.812E-9 1.2999999999E-8 2.9059999999E-8 6.499E-8 1.453E-7 3.249E-7 7.266E-7 0.000001625 0.0000036329999999 0.0000081229999999 0.00001816 0.000040619999999 0.000090819999999 118-90-1 8373 144207284 A A 2-Methylbenzoic acid Cc1ccccc1C(O)=O Tox21_200086 -NCGC00257654-01 196701528 tox21-ror-cho-viability-p1 set1 -2.4 48.6565118999 -30.1787882079 -9.856400436 -40.0351886439 0.5 0.6103198208 0.0896131038 -10.88186433 -7.10228797 -5.71366703 -13.4901279 -15.47139366 -11.09951469 -9.83860029 -16.48345461 -5.76390777 -18.07430126 -11.60576685 -19.64423518 -28.85474255 -16.74983685 -30.02932387 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.303E-7 7.387E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 2257-09-2 16741 144207298 C Phenethyl isothiocyanate S=C=N\CCc1ccccc1 Tox21_200100 -NCGC00091044-02 196702347 tox21-ror-cho-viability-p1 set1 4 -8.85869968 -0.9570774 -0.17871168 -0.39340814 -4.91027994 0.90507937 -4.35114009 0.39393843 0.8561426 -5.24517898 0.72301464 -0.75897734 -0.23770496 -0.08732596 -3.15170894 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00257897-01 196702348 tox21-ror-cho-viability-p1 set1 4 -13.82728764 -11.11105085 -7.31909842 -12.74316942 -13.90466409 -11.53431185 -16.21934979 -12.6536576 -16.08139682 -10.83047973 -16.40594043 -13.42508627 -17.26024545 -12.12477007 -14.01394092 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.315E-8 2.94E-8 6.573E-8 1.4699999999E-7 3.2869999999E-7 7.3489999999E-7 0.000001643 0.000003674 0.0000082159999999 0.00001837 0.00004108 0.000091859999999 619-80-7 12091 144207541 A A 4-Nitrobenzamide O=[N+]([O-])c1ccc(cc1)C(N)=O Tox21_200343 -NCGC00257772-01 196702758 tox21-ror-cho-viability-p1 set1 4 -0.23279905 -0.98012768 0.45330128 3.53489196 2.04960857 4.57140901 0.69266171 2.65358101 1.622471 0.14581698 1.91913134 -0.33656835 6.74348323 1.09716689 -0.63083451 1.154E-9 2.5799999999E-9 5.7679999999E-9 1.29E-8 2.884E-8 6.449E-8 1.4419999999E-7 3.225E-7 7.21E-7 0.000001612 0.000003605 0.000008061 0.00001803 0.00004031 0.000090129999999 3018-12-0 18177 144207416 B Dichloroacetonitrile ClC(Cl)C#N Tox21_200218 -NCGC00257910-01 196702761 tox21-ror-cho-viability-p1 set1 4 -11.12317443 -7.854306 -6.67069993 -9.13392117 -10.6557918 -3.02732401 -10.29097998 -7.17177755 -8.41139003 -6.42163794 -9.33606443 -10.54791959 -8.56898702 -5.68108392 -8.45962028 1.182E-9 2.6429999999E-9 5.9109999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.304E-7 7.3889999999E-7 0.0000016519999999 0.0000036939999999 0.000008261 0.000018469999999 0.000041299999999 0.000092359999999 75-26-3 6358 144207554 FNS 2-Bromopropane BrC(C)C Tox21_200356 -NCGC00163843-03 196702763 tox21-ror-cho-viability-p1 set1 4 -7.62162917 0.57069707 -13.35595645 -2.97416423 0.15478913 -10.04729215 -3.63076451 -7.25747563 3.03681984 -5.31750593 -7.21137423 -6.84841031 -9.58122109 -3.66162296 4.02490136 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00258279-01 196702769 tox21-ror-cho-viability-p1 set1 -2.1 27.0562917993 -104.0061617034 -1.791366582 -105.7975282854 0.8999999999 0.9805130531 4.08E-8 -3.91538375 0.41274558 3.94737353 1.88410239 -5.57827443 -3.81009146 0.02033065 -10.15591338 -5.13198743 -12.75334009 -16.36860716 -27.05072896 -39.44474276 -62.63514208 -83.96629229 1.171E-9 2.618E-9 5.8529999999E-9 1.3089999999E-8 2.927E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.316E-7 0.0000016359999999 0.000003658 0.00000818 0.00001829 0.0000409 0.00009146 81-55-0 3378440 144207923 A B 1,8-Dihydroxy-4,5-dinitroanthraquinone [O-][N+](=O)c3ccc(O)c2c3C(=O)c1c(ccc(O)c1C2=O)[N+]([O-])=O Tox21_200725 -NCGC00258519-01 196702770 tox21-ror-cho-viability-p1 set1 4 -6.75205176 -4.22543729 -5.68983351 -6.60873568 -11.12662185 -4.60840455 -13.60203949 -9.81988867 -5.52858315 -12.59477022 -8.98051216 -11.8199075 -12.86301951 -11.15544222 -9.76159538 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.961E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008275 0.0000185 0.00004138 0.000092519999999 393-75-9 9809 144208164 A Fc 2-Chloro-1,3-dinitro-5-(trifluoromethyl)benzene O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1Cl)C(F)(F)F Tox21_200966 -NCGC00244580-01 196702772 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -33.561035008 1.5 -32.061035008 4.9549173134 0.8225796505 0.004776543 4.54594617 3.96609606 -1.07810274 5.04240986 -1.92896957 1.09756039 -1.66376012 5.61020755 1.82694507 -1.09421428 3.17943076 2.09506907 -5.7630056 2.37004647 -25.88419584 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00255916-01 196710932 tox21-ror-cho-viability-p1 set2 4 3.17843555 -0.09554224 0.70757729 1.38064837 -3.0084493 -2.10274324 -0.0100442 1.69993648 -1.31681542 1.30160042 2.42790028 -2.04509847 0.5957025 3.36080346 3.74767198 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2840-28-0 76092 144212441 A A 3-Amino-4-chlorobenzoic acid Nc1cc(ccc1Cl)C(=O)O Tox21_302124 -NCGC00255620-01 196710513 tox21-ror-cho-viability-p1 set2 4 4.7083762 -1.34695098 3.43123459 1.84201378 0.61072109 1.13337974 -1.31008484 -0.81769299 1.1719795 0.60081195 -0.98654908 -1.04772546 0.8981945 -1.32342199 1.32384758 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1123-85-9 14295 144212658 A A 2-Phenylpropan-1-ol OCC(C)c1ccccc1 Tox21_302341 -NCGC00256209-01 196710519 tox21-ror-cho-viability-p1 set2 4 5.90808031 1.0520622 1.60258657 1.54363467 2.30625401 -1.48464843 2.17507892 2.13839429 -0.19671943 0.64347638 3.24856487 1.57428524 0.19528869 -0.23490223 1.63039316 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67151-63-7 106705 144211623 Z Z 1-{Bis[3-(dimethylamino)propyl]amino}propan-2-ol CN(C)CCCN(CC(C)O)CCCN(C)C Tox21_301306 -NCGC00260422-01 196711337 tox21-ror-cho-viability-p1 set2 4 1.45017065 0.81192694 0.35085557 -10.6658406 -1.00964654 -1.80111214 -0.63124361 -16.53281594 -13.66545987 1.37940363 -1.4188847 2.42320666 0.65358445 -24.91658694 -10.44036676 1.172E-9 2.6199999999E-9 5.858E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.275E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.00001831 0.000040929999999 0.00009153 91-56-5 7054 144210074 A A Isatin O=C1c2ccccc2NC1=O Tox21_202876 -NCGC00163903-03 196711341 tox21-ror-cho-viability-p1 set2 2.4 72.7253077472 39.511466084 -1.511466084 38 4.0449729863 0.9401792375 0.000022342 -1.10938679 -1.36295916 -3.42006759 -0.44865227 -2.03626546 -0.77341505 -5.00955507 -2.64324089 -1.92422586 0.36047275 -4.54603802 -0.79376763 3.26328429 2.81804433 28.45692224 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00260576-01 196711759 tox21-ror-cho-viability-p1 set2 4 -3.3823109 -2.69674546 -10.02101251 -7.19517136 -4.22433926 -11.72545482 -11.71405796 -10.64096284 0 0 -11.91551716 0 -6.83813937 -16.49162214 10.30050388 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49472 144210229 M M NTP Mix53 CT1 3-EQP Tox21_203031 -NCGC00260665-01 196712168 tox21-ror-cho-viability-p1 set2 4 -3.36380188 0.44630297 -3.68618158 -2.72296664 -3.63433551 -1.84988209 -4.52193507 -0.12603656 0.30797674 -0.20821164 0.42443226 -2.44938506 -3.2076968 0.6789212 4.45140068 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49561 144210318 M M NTP Mix31 AR2 7-EQC Tox21_203120 -NCGC00357170-01 196712181 tox21-ror-cho-viability-p1 set2 2.4 61.130564862 24.7053651359 -0.7053651359 24 1.4641 0.8776248181 0.0008764509 -2.57072296 -3.08780428 -0.15164968 0.66381234 -2.57092791 0.73134554 -0.27707583 -1.37947639 0.59792408 -0.65364953 0.92662222 1.96642445 3.99261867 4.4977334 17.67034255 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5888-33-5 639970 251919911 A Isobornyl acrylate C=CC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C Tox21_303930 -NCGC00259311-01 196712188 tox21-ror-cho-viability-p1 set2 -1.1 9.6392987382 -89.4900838605 -7.0215803539 -96.5116642144 2.4063783767 0.9388808016 0.0000249302 -0.02485076 -9.08871958 0.03664751 -4.27759366 -2.38355548 -2.69363997 -36.33421398 -9.19979905 -5.64372027 -6.2478801 -9.47984291 -46.64697902 -80.36753746 -93.64624304 -95.17915603 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.938E-8 6.568E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.000041049999999 0.0000918 548-62-9 11057 144208960 A A Gentian Violet [Cl-].C/[N+](C)=C1\C=C\C(C=C1)=C(/c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C Tox21_201762 -NCGC00249897-01 196712581 tox21-ror-cho-viability-p1 set2 -2.1 5.9557173066 -87.3335757596 -0.105846138 -87.4394218976 1.331 0.9829379602 1.89E-8 -0.35224519 -0.3000814 -1.77553026 0.4225357 -0.770348 -1.6690788 -1.67783003 -0.14252453 -1.88348566 -7.4921994 -8.95739657 -35.20812856 -61.75497918 -63.37375275 -80.63592568 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 133-58-4 16682935 170465514 F Nitromersol Cc1ccc(c2[Hg]Oc12)[N+]([O-])=O Tox21_113673 -NCGC00253590-01 196712583 tox21-ror-cho-viability-p1 set2 4 4.26817396 2.3343858 5.16968546 3.4119307 2.01263529 4.15679294 4.33491362 1.1748048 0.62448284 3.68105261 -0.42810125 4.20135199 3.26215737 0.89336739 1.79676219 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 19504-77-9 5354035 170465957 F Fns Variotin O=C1CCCN1C(=O)/C=C/C=CC(\C)=C\C(O)CCCC Tox21_113727 -NCGC00255763-01 196710541 tox21-ror-cho-viability-p1 set2 4 15.3553036427 9.649102868 -4.649102868 5 0.4 0.5014404878 0.1800851987 -5.51662432 -0.32725326 -7.62425239 -1.59519275 -6.73426562 -5.76995874 -0.47144381 -3.14671785 -1.18564141 -1.16849097 -2.0866827 -1.49530473 0.47471775 0.31081456 2.73720429 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135-51-3 8673 144211918 A Ac Disodium 3-hydroxynaphthalene-2,7-disulfonate [Na+].[Na+].[O-]S(=O)(=O)c1cc2cc(c(O)cc2cc1)S([O-])(=O)=O Tox21_301601 -NCGC00255630-01 196710124 tox21-ror-cho-viability-p1 set2 4 61.130564862 12.48056392 -2.48056392 10 0.3 0.6138223456 0.0895883559 -2.09216789 -4.5671366 0.74071944 -1.29594454 -2.67854929 -1.0095748 0.94139385 1.74209163 0.26532908 -0.07601613 0.88028652 0.75168141 1.70142894 1.58411623 7.19357631 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 20780-48-7 89385 144212250 A Bc 3,7-Dimethyloctan-3-yl acetate O=C(C)OC(C)(CCCC(C)C)CC Tox21_301933 -NCGC00160444-02 196726023 tox21-ror-cho-viability-p1 set3 4 0.0016785492 12.048953764 -11.048953764 1 1.1340999999 0.3852845725 0.286947885 -9.20746147 -3.98925071 -4.36940723 -3.29470566 3.72297647 1.21710748 4.3688767 -8.15121156 -5.03495586 -0.4859133 0.75551938 3.2038423 1.99257842 4.92393 4.14078957 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 671-95-4 69594 170466058 A Clofenamide O=S(N)(=O)c1cc(ccc1Cl)S(N)(=O)=O Tox21_111814_1 -NCGC00183024-01 196725608 tox21-ror-cho-viability-p1 set3 4 26.6032120037 -24.939839996 -0.5 -25.439839996 1.0999999999 0.7841109628 0.0109734086 4.28932481 -4.14563244 3.93807354 0.35419448 -0.81700051 -0.91939014 -2.20743405 0.22916122 -3.0365708 -4.61475142 -2.41670821 -1.92032954 -7.0763941 -8.83937586 -17.86653333 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57132-53-3 4921 144206876 A A Proglumetacin CCCN(CCC)C(=O)C(NC(=O)c1ccccc1)CCC(=O)OCCCN5CCN(CCOC(=O)Cc4c2cc(OC)ccc2n(C(=O)c3ccc(Cl)cc3)c4C)CC5 Tox21_113325 -NCGC00160363-03 196725611 tox21-ror-cho-viability-p1 set3 4 -0.95717288 1.92748762 9.03005547 6.64872575 1.17289691 0.63445084 4.32247873 9.04579304 -5.57571425 3.07678364 -1.00790786 1.82573502 12.30966453 12.08954227 10.22585161 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 30103-44-7 65770 170466411 A Bumecaine CCCCN2CCCC2C(=O)Nc1c(C)cc(C)cc1C Tox21_111764_1 -NCGC00344550-01 196725616 tox21-ror-cho-viability-p1 set3 4 0.0943917582 -7.559923928 0.5 -7.059923928 1.8079476909 0.4302440427 0.2434250011 1.01034406 -7.93046731 7.33193474 0.20941124 3.28451218 -0.52238165 -4.39418553 -1.98153288 -9.0713102 -8.60306858 -6.90358049 -1.15836812 -4.57333977 -5.81113648 -13.38326994 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10418-03-8 25249 170465251 A A Stanozolol C[C@]2(O)CC[C@H]1[C@@H]3CC[C@H]4Cc5nncc5C[C@]4(C)[C@H]3CC[C@@]12C Tox21_113993 -NCGC00015893-06 196726025 tox21-ror-cho-viability-p1 set3 4 4.33532309 1.81642935 8.35803797 3.20497733 8.907658 15.6925329 14.87204876 0 7.16001224 1.42858464 8.99484634 7.39080637 -3.80059265 18.39320224 6.21250028 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 91374-21-9 5095 170465139 A Ropinirole CCCN(CCC)CCc1cccc2NC(=O)Cc12 Tox21_110256_1 -NCGC00018158-09 196726026 tox21-ror-cho-viability-p1 set3 4 0.6682424727 -10.5028599959 9 -1.5028599959 4.9549173134 0.6171188809 0.0850746781 8.10358051 11.13909573 -0.32688414 4.54517425 5.6935741 10.82891515 14.99404562 11.52511977 14.37573102 -0.32156758 -0.24744167 -0.36063191 -1.11199146 -3.75238333 0.02274038 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77883-43-3 62978 170465395 A Doxazosin mesylate CS(=O)(=O)O.COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)C4COc5ccccc5O4 Tox21_110796_1 -NCGC00090704-03 196726034 tox21-ror-cho-viability-p1 set3 4 0.0038570779 11.9115635759 -13.4115635759 -1.5 4.5044702849 0.6117214974 0.0890751935 -13.67630298 -11.45238883 -3.07306194 0.72242136 -3.67046603 -4.83137478 3.29517922 1.12640358 -4.10142042 -5.92247527 1.98850575 -6.26404736 -1.19636831 2.80442737 -3.00423186 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00182997-01 196726036 tox21-ror-cho-viability-p1 set3 4 0.0421632496 17.13210624 -5.13210624 12 0.6 0.5336602621 0.1650639763 0 -11.7767552 -1.24804108 4.38774691 0.60595122 1.70628562 3.74897944 0 16.84581992 10.21446648 4.22604991 20.31582039 5.52811805 11.84759435 5.34075051 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14417-88-0 20054967 144206837 Ac Fc Melinamide CCCCC\C=C/C\C=C/CCCCCCCC(=O)NC(C)c1ccccc1 Tox21_113286 -NCGC00257465-01 196726953 tox21-ror-cho-viability-p1 set3 -2.4 27.3060203028 -23.692400732 0 -23.692400732 1.8579476909 0.8522279325 0.0021094042 0.49073442 1.32938894 2.27420948 0.09455487 1.71183543 -1.20568018 1.7599028 -8.37599266 1.87988209 -1.3262859 2.7196733 -2.07033457 -9.37184382 -13.59876762 -23.07700061 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 501-36-0 445154 144213690 A A Resveratrol Oc2cc(/C=C/c1ccc(O)cc1)cc(O)c2 Tox21_303376 -NCGC00257511-01 196726530 tox21-ror-cho-viability-p1 set3 4 0.0145672252 -4.9356552479 4 -0.9356552479 4.9549173134 0.332919131 0.3536397178 6.65371548 3.26874348 1.43922575 3.91624683 -3.68667515 -1.35798579 -1.16644015 -4.08877917 -3.51919643 4.16035034 -6.61304604 -0.75652797 3.64030829 2.64317099 6.45346253 1.026E-9 2.295E-9 5.132E-9 1.148E-8 2.5659999999E-8 5.7379999999E-8 1.283E-7 2.8689999999E-7 6.4149999999E-7 0.000001434 0.0000032069999999 0.0000071719999999 0.00001604 0.00003586 0.000080189999999 10161-33-8 25015 144213956 A A 17beta-Trenbolone O=C3C=C4CC[C@@H]1C(C=C[C@]2(C)[C@@H](O)CC[C@@H]12)=C4CC3 Tox21_303654 -NCGC00258494-01 196702492 tox21-ror-cho-viability-p1 set1 4 0.0307937104 -9.912934392 -7.325356472 -17.238290864 3.1319983358 0.5358571417 0.1474741682 -12.23200423 -4.43779706 -7.90879998 -5.51108335 -12.3111129 -18.70982076 -12.9516637 -19.55474629 -13.28491676 -20.0135924 -21.75312225 -8.79438626 -22.69857572 -17.8202421 -14.37154564 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.312E-7 7.405E-7 0.000001656 0.000003702 0.000008279 0.00001851 0.0000414 0.00009256 521-31-3 10638 144208138 A A Luminol Oc2nnc(O)c1cccc(N)c12 Tox21_200940 -NCGC00258450-01 196701679 tox21-ror-cho-viability-p1 set1 4 -1.79453112 -8.28584841 -2.64526158 0.37122041 -6.33306492 -0.5873162 -0.17202876 -1.44164236 -1.23412325 -1.84355135 -1.53385978 -7.02595472 -0.87627321 0.09554162 -7.3654236 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3069999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.000008269 0.000018489999999 0.00004134 0.00009245 302-95-4 23668196 144208094 A A Sodium deoxycholate [Na+].[O-]C(=O)CC[C@@H](C)[C@H]2CC[C@H]1[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]12C Tox21_200896 -NCGC00163818-04 196701682 tox21-ror-cho-viability-p1 set1 -2.4 0.9208803836 -23.4280199759 0.5 -22.9280199759 1.8851180601 0.9558788221 0.0000042313 2.0883891 0.19191543 0.11054238 0.6452289 0.75464359 0.25530823 0.75257549 -6.85429789 -6.09590857 -17.37177137 -25.77334998 -25.49734482 -23.85464462 -20.5163449 -19.44135417 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00258465-01 196701685 tox21-ror-cho-viability-p1 set1 4 -2.75506749 -4.23063915 1.04769491 0.11453832 -3.17516011 -5.31522559 -15.56497713 -12.19057554 2.63370304 -2.04341113 -0.41493387 2.52148569 -3.93056077 -5.65836296 -6.2864303 1.163E-9 2.601E-9 5.817E-9 1.301E-8 2.908E-8 6.503E-8 1.454E-7 3.252E-7 7.2709999999E-7 0.0000016259999999 0.0000036349999999 0.000008129 0.00001818 0.00004064 0.00009088 693-07-2 12733 144208109 C 1-Chloro-2-(ethylthio)ethane CCSCCCl Tox21_200911 -NCGC00258143-01 196702509 tox21-ror-cho-viability-p1 set1 4 3.03337811 1.71014555 2.24075102 6.86260019 1.73983833 2.57864104 1.64106442 -4.08751492 6.50011069 1.5352028 3.84074791 1.19640601 2.65910226 0.14065367 10.00040215 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.00001842 0.0000412 0.00009212 342789-81-5 11492381 144207787 A A 1-Butyl-3-methylimidazolium methanesulfonate CCCCn1cc[n+](C)c1.[O-]S(C)(=O)=O Tox21_200589 -NCGC00260335-01 196702921 tox21-ror-cho-viability-p1 set1 4 -7.50692349 -4.63758076 -7.64724294 -0.25533402 -1.21309101 -6.03144655 -3.25433499 -7.5252022 -7.61049354 -6.35528541 -1.59459337 -0.10988664 -15.81579597 -17.43074688 -3.33795656 5.964E-11 1.3329999999E-10 2.9819999999E-10 6.667E-10 1.491E-9 3.334E-9 7.454E-9 1.667E-8 3.7269999999E-8 8.3339999999E-8 1.864E-7 4.167E-7 9.3179999999E-7 0.000002084 0.000004659 915-67-3 5359521 144209987 F Amaranth [Na+].[Na+].[Na+].[O-]S(=O)(=O)c4ccc(/N=N\c1c2ccc(cc2cc(c1O)S([O-])(=O)=O)S([O-])(=O)=O)c3ccccc34 Tox21_202789 -NCGC00259956-01 196702922 tox21-ror-cho-viability-p1 set1 -2.2 38.2571958381 -40.6953054842 -4 -44.6953054842 0.8999999999 0.8328563109 0.0036680522 -1.10396905 -7.46343486 -7.59215461 -2.63224996 -4.08027713 -13.152 -0.19235353 -5.79919771 0.31770756 -8.98370659 -6.52653978 -15.04687998 -19.37611314 -20.63357651 -35.47246467 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.551E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.000003662 0.0000081889999999 0.00001831 0.00004095 0.00009156 56-53-1 448537 144209605 A A Diethylstilbestrol Oc1ccc(cc1)C(\CC)=C(/CC)c2ccc(O)cc2 Tox21_202407 -NCGC00016271-05 196705014 tox21-ror-cho-viability-p1 set1 4 -1.85735863 -4.75633422 -0.14854276 -3.90634349 -2.08798543 1.71911983 -0.05220235 -0.76451715 -3.42060978 0.90521588 0.69473486 -0.6685546 -2.42025419 -1.67110079 1.12899894 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-97-2 6048 170465219 Z Tolazoline hydrochloride Cl.c2cc(CC1=NCCN1)ccc2 Tox21_110339_1 -NCGC00023509-13 196704204 tox21-ror-cho-viability-p1 set1 -1.2 8.4126743008 -40.9250975603 0.0685085459 -40.8565890144 2.5334283767 0.9778647907 8.54E-8 0.16708967 0.21786264 -0.47815305 -5.67237964 2.3145114 2.193953 -1.92172209 -1.15931216 0.37820238 -0.54291165 2.31807286 -5.43442631 -22.85534407 -35.59335314 -41.99684168 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 75330-75-5 53232 170464913 A Lovastatin C[C@@H](CC)C(=O)O[C@H]2C[C@@H](C)C=C3C=C[C@H](C)[C@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@@H]23 Tox21_110888_1 -NCGC00159375-04 196704613 tox21-ror-cho-viability-p1 set1 4 -1.60551618 -0.82531304 3.32542548 1.94979044 1.19128724 4.26609195 3.78274351 2.41561196 4.15134564 0.76479372 -2.75345644 2.98779174 -0.69713808 0.50105096 3.97747123 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 106-50-3 7814 170466858 Z 1,4-Benzenediamine Nc1ccc(N)cc1 Tox21_111615_1 -NCGC00253705-01 196704615 tox21-ror-cho-viability-p1 set1 4 -0.97059192 1.77195334 -5.12218549 0.21528413 -0.34724436 -0.10121939 -0.73100034 0.61710846 2.24393073 2.10358478 1.33659363 0.19371815 2.12255976 2.28200076 1.06516717 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13338-63-1 25887 170466679 A A 3,4,5-Trimethoxyphenylacetonitrile COc1c(cc(cc1OC)CC#N)OC Tox21_113825 -NCGC00015675-08 196705021 tox21-ror-cho-viability-p1 set1 4 68.5896218971 10.3789647279 -0.8789647279 9.5 3.2974983358 0.4788522642 0.2008159284 -2.19016265 0.22519065 -1.47316252 0.48454141 0.83053889 -3.85128391 -2.16202129 0 -0.25458912 -0.4562378 -6.56580394 2.24366788 -0.10857267 0.74820048 6.66861883 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00257565-01 196702385 tox21-ror-cho-viability-p1 set1 4 65.3244695589 16.851398248 -4.351398248 12.5 4.9549173134 0.609152438 0.0910156308 -9.45949854 -3.65569244 -5.12804843 -3.06316687 0.13309904 -8.8046016 -5.11473945 -4.38826479 -3.13776197 -4.94894285 -4.21418688 1.76362574 -6.05342137 -3.91142434 9.39969968 1.133E-9 2.5339999999E-9 5.6669999999E-9 1.267E-8 2.833E-8 6.335E-8 1.4169999999E-7 3.168E-7 7.083E-7 0.000001584 0.0000035419999999 0.000007919 0.00001771 0.0000396 0.00008854 75-76-3 6396 144207209 FC Tetramethylsilane C[Si](C)(C)C Tox21_200011 -NCGC00016311-19 196704846 tox21-ror-cho-viability-p1 set1 4 -1.63538882 -3.78651321 0.2369496 -2.27162775 6.10971215 0.18019332 1.35638432 -0.24908455 -1.09366712 -1.35912593 -1.37666775 -0.53389059 -0.95465817 0.76850903 0.49169212 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-60-2 5775 170464866 A Phentolamine mesilate Cc1ccc(cc1)N(CC2=NCCN2)c3cc(O)ccc3 Tox21_110364_1 -NCGC00024027-09 196704850 tox21-ror-cho-viability-p1 set1 4 0.0595571731 7.303605828 -4.303605828 3 0.8999999999 0.6784121186 0.0593694701 -5.16352003 -2.87032998 -3.11690189 -6.08633819 -2.00350833 0.38806167 0.00459705 -3.75511547 5.19987768 1.95589022 2.74104888 4.57238224 1.68963727 2.04987079 -1.07225785 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 361-37-5 9681 170464684 A Methysergide CC[C@@H](CO)NC(=O)[C@@H]3C=C2c4cccc1c4c(cn1C)C[C@H]2N(C)C3 Tox21_110895_1 -NCGC00181103-02 196705255 tox21-ror-cho-viability-p1 set1 4 29.8492948118 -9.733112896 1 -8.733112896 4.0949729863 0.6332013364 0.0762724616 2.68504719 3.97089548 1.41558285 1.32195701 -0.95347455 2.57227645 -0.75655374 4.16179689 1.1324957 -0.7062966 1.28320403 0.68656025 -1.39032514 -0.58889471 -7.27759408 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54556-98-8 441412 170466036 A Propiverine hydrochloride Cl.CN3CCC(OC(=O)C(OCCC)(c1ccccc1)c2ccccc2)CC3 Tox21_112719_1 -NCGC00258322-01 196701962 tox21-ror-cho-viability-p1 set1 4 2.4584215472 -5.312419492 3 -2.312419492 4.9549173134 0.3737659146 0.2983237252 -0.54472601 0.55560885 1.67256459 1.73593718 1.40581713 7.53930405 10.70829739 4.90940856 -0.66083612 5.15702681 -5.05616416 0.53766688 -0.87716429 -0.57543082 -6.09368291 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.65E-8 1.487E-7 3.325E-7 7.435E-7 0.000001663 0.000003718 0.000008313 0.00001859 0.00004156 0.000092939999999 304680-36-2 2734243 144207966 A A 1-Methyl-3-octylimidazolium hexafluorophosphate F[P-](F)(F)(F)(F)F.C[n+]1ccn(CCCCCCCC)c1 Tox21_200768 -NCGC00163906-02 196702363 tox21-ror-cho-viability-p1 set1 4 -0.03310419 2.54539507 0.10210933 2.7954447 -0.26384607 -0.07275966 1.0486849 1.37605072 7.88893089 0.53485141 0.49155274 0.56940658 2.81210819 3.6898868 0.35100325 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00258516-01 196702376 tox21-ror-cho-viability-p1 set1 4 2.1689942904 -10.19125826 -5.944190292 -16.135448552 0.4 0.5696869277 0.1209458676 -9.33393153 -7.03721787 -4.23413446 -3.70349191 -6.72125917 -8.74349275 -10.76251722 -11.324968 -8.43318454 -9.61484808 -14.8387953 -9.43271943 -15.02153086 -10.11581849 -16.77954046 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.00001844 0.000041219999999 0.00009218 853-23-6 14709 144208161 A F Dehydroepiandrosterone acetate CC(=O)O[C@H]4CC[C@@]2(C)C(=CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12)C4 Tox21_200963 -NCGC00258694-01 196702783 tox21-ror-cho-viability-p1 set1 4 3.92230825 2.09298927 1.21001743 3.08533904 4.61138168 4.04892596 -0.56335872 0.9853493 3.70531096 -0.49518826 2.06252539 1.45583016 1.94815298 2.79862511 5.30315953 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.934E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091699999999 483-84-1 10226 144208340 A F 8-Hydroxy-5,7-dinitro-2-naphthalenesulfonic acid [O-][N+](=O)c1cc(c2ccc(cc2c1O)S(=O)(=O)O)[N+]([O-])=O Tox21_201142 -NCGC00258263-01 196702790 tox21-ror-cho-viability-p1 set1 4 -16.27860534 -8.33080337 -14.13041493 -10.7255379 -15.30541758 -14.60925786 -13.45890675 -14.55665501 -1.56786316 -10.00961968 -10.37992988 -19.10220484 -27.87121079 -14.00538576 -12.23592301 1.193E-9 2.667E-9 5.963E-9 1.333E-8 2.982E-8 6.6669999999E-8 1.491E-7 3.3339999999E-7 7.4539999999E-7 0.0000016669999999 0.0000037269999999 0.0000083339999999 0.00001864 0.00004167 0.00009318 96-13-9 7281 144207907 A A 2,3-Dibromopropanol BrC(CBr)CO Tox21_200709 -NCGC00066947-05 196702802 tox21-ror-cho-viability-p1 set1 4 3.05369298 1.08450499 -6.14120159 1.79288639 0.11115331 2.7853801 1.29650641 4.66316617 -1.24910103 1.08894447 0.61239329 -0.31084685 -0.59095978 2.02878625 1.81503745 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00260258-01 196703195 tox21-ror-cho-viability-p1 set1 4 2.70242924 9.53144225 6.00974503 5.85129676 -0.56359908 6.48180417 2.26089192 5.96060511 5.44537534 5.87074473 4.12540253 0.87268171 4.10156176 1.42883359 1.18285194 1.187E-9 2.6549999999E-9 5.937E-9 1.3279999999E-8 2.968E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.421E-7 0.000001659 0.0000037109999999 0.000008297 0.00001855 0.00004149 0.00009276 56511-19-4 12059922 144209908 A A 1-Methyl-1-propylpyrrolidinium iodide [I-].C[N+]1(CCC)CCCC1 Tox21_202710 -NCGC00260199-01 196703206 tox21-ror-cho-viability-p1 set1 4 2.30308657 5.5613135 2.10327295 6.7330519 3.17967816 0.47128626 -0.03542201 5.29075605 3.69895892 3.75090328 0.46443949 6.48873204 2.06883647 -0.61567509 2.48226358 1.206E-9 2.6959999999E-9 6.028E-9 1.348E-8 3.014E-8 6.739E-8 1.507E-7 3.3689999999E-7 7.534E-7 0.000001685 0.0000037669999999 0.000008424 0.00001884 0.000042119999999 0.00009418 374564-83-7 11344909 144209849 A A 1-(2-Hydroxyethyl)-3-methylimidazolium tetrafluoroborate C[n+]1ccn(CCO)c1.F[B-](F)(F)F Tox21_202651 -NCGC00178826-03 196712613 tox21-ror-cho-viability-p1 set2 4 -1.21211925 1.41560808 1.26998421 -1.16411177 -0.03549688 0.36096572 0.85046497 0.66994874 -1.37833241 -0.85573683 -1.80868221 0.35024226 -4.1280051 0.32874704 0.9541153 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66-84-2 2723635 170466505 Z Glucosamine hydrochloride Cl.O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1N Tox21_111314_1 -NCGC00090686-07 196712202 tox21-ror-cho-viability-p1 set2 4 19.3311819617 18.81947844 -2.81947844 16 1.372261 0.8511128625 0.0034114199 -1.3412691 -2.08193888 -2.0273352 -2.63817207 -5.6828987 -2.91768937 -4.60166602 -5.44336127 0.01888972 -0.80095383 -3.01713907 3.69838843 4.58994081 11.74937183 4.89454457 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00356977-01 196712213 tox21-ror-cho-viability-p1 set2 -1.1 27.3060203028 -78.4340004732 -1.873260921 -80.3072613942 4.9549173134 0.9724299507 0.0044210859 -3.91391465 -2.75312505 -4.32734723 -3.29129656 -0.24145765 -40.94436521 -0.24660936 -2.04661853 -5.02321847 -5.07835592 -2.06762141 0 0 -78.73260921 -74.79287754 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 20018-09-1 62738 251919708 A Diiodomethyl 4-methylphenyl sulfone Cc1ccc(cc1)S(=O)(=O)C(I)I Tox21_303744 -NCGC00260642-01 196712216 tox21-ror-cho-viability-p1 set2 4 -1.3343297 -0.0166765 -10.08322138 0.06323384 -0.99742114 -0.59934359 -8.42679503 1.07991241 -10.62983346 -14.4082138 -3.2246291 -15.188812 2.429515 -9.56148956 -2.83696199 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49538 144210295 M M NTP Mix83 ER AR1 18-EQC Tox21_203097 -NCGC00179034-07 196712632 tox21-ror-cho-viability-p1 set2 4 -3.84160042 -0.47612984 0.18649465 -0.07117674 0.41621836 -4.2376964 -0.33645887 -4.3058996 0.45812672 -1.14261197 2.14851698 0.61968241 -0.39057589 -0.70409895 3.77648875 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 140-64-7 8813 170464786 A Pentamidine isethionate OCCS(=O)(=O)O.OCCS(=O)(=O)O.N=C(N)c1ccc(cc1)OCCCCCOc2ccc(cc2)C(=N)N Tox21_110742_1 -NCGC00159481-03 196713025 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -18.0768496679 1.5 -16.5768496679 4.9549173134 0.900969046 0.0003127286 1.45331371 2.74158264 0.36941366 4.13967068 1.07121004 2.82468658 -0.63490155 1.13638626 0.9605828 0.66103406 -0.03116013 0.19075021 0.56308658 0.7266291 -13.81404139 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64506-49-6 5282219 170466017 A Sofalcone C/C(C)=C\COc1ccc(cc1)/C=C/C(=O)c2ccc(cc2OCC(=O)O)OC\C=C(/C)C Tox21_111705_1 -NCGC00163906-02 196713454 tox21-ror-cho-viability-p1 set2 4 -2.16745515 -5.11817836 -4.95976675 -2.61310845 -5.44076241 -3.83181798 -1.39327768 -0.21575257 -3.63797579 -0.18863797 -0.2496825 1.69139315 -0.45935773 -2.21430942 0.20191006 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00091080-03 196713456 tox21-ror-cho-viability-p1 set2 4 3.43240932 0.09874136 3.14269439 2.20019451 -1.48961179 2.81187413 -0.15884367 2.67260082 -0.67064457 1.82656498 2.0181057 1.33938801 1.03091742 -0.66383508 1.69095583 1.121E-9 2.506E-9 5.6039999999E-9 1.2529999999E-8 2.802E-8 6.265E-8 1.401E-7 3.133E-7 7.005E-7 0.000001566 0.0000035019999999 0.000007831 0.00001751 0.00003916 0.00008756 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00015693-09 196713856 tox21-ror-cho-viability-p1 set2 -2.2 23.7101376556 -57.2383937971 0.7012485119 -56.5371452852 3.1319983358 0.9805466377 4.05E-8 2.48040344 -0.30985278 0.1726679 2.07453852 3.17092424 0.45548558 -1.57729173 -0.80889106 -0.4177428 -1.12834199 3.71695027 -0.05782595 1.48424719 -24.23161727 -49.27056461 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 70476-82-3 51082 170465183 A Mitoxantrone Cl.Cl.OCCNCCNc3ccc(NCCNCCO)c2C(=O)c1c(O)ccc(O)c1C(=O)c23 Tox21_110197_1 -NCGC00253934-01 196713860 tox21-ror-cho-viability-p1 set2 4 76.9588215421 9.200893336 -2.200893336 7 4.9549173134 0.3404122435 0.332581456 -1.30883863 -6.83407778 -0.67234324 1.06665077 -1.46901713 -0.06770875 -2.86870328 -3.6320224 -1.6057339 1.94924823 -4.55920726 -2.73215744 -6.33605138 -4.67828192 4.88018114 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-46-7 4685 144210338 AC F 1,4-Dichlorobenzene Clc1ccc(Cl)cc1 Tox21_300018 -NCGC00254273-01 196713869 tox21-ror-cho-viability-p1 set2 4 0.968854161 5.927631012 -5.427631012 0.5 4.4494702849 0.4915275646 0.1870621507 -5.37262722 -8.5838506 -6.76209059 1.89650416 -8.68969251 -6.17775339 -3.70924099 -7.64772915 -4.80708911 1.45699526 2.78676525 -1.04763311 3.0874613 -5.0153219 1.48297882 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-61-6 6895 144210819 A Ac 1,2,3-Trichlorobenzene Clc1cccc(Cl)c1Cl Tox21_300501 -NCGC00254068-01 196714737 tox21-ror-cho-viability-p1 set2 4 2.46906458 2.0811048 0.5413546 2.45767465 -1.07574531 5.39777472 -14.37781301 3.36048539 3.37754781 4.05541518 0.83184864 -2.32968895 2.20845575 0.26340505 -1.91174094 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-00-6 8456 144210402 A A 2-tert-Butyl-4-methoxyphenol CC(C)(C)c1cc(ccc1O)OC Tox21_300082 -NCGC00255455-01 196728210 tox21-ror-cho-viability-p1 set3 4 -0.23013589 3.3745165 -2.07326223 4.73951179 4.27143364 -2.83186942 0.68829689 3.95533482 7.86653226 7.78809292 -1.52232483 3.63382604 -1.64625715 0.23946206 1.01724238 1.2279999999E-9 2.746E-9 6.1399999999E-9 1.3729999999E-8 3.07E-8 6.865E-8 1.535E-7 3.4329999999E-7 7.676E-7 0.000001716 0.0000038379999999 0.000008582 0.00001919 0.000042909999999 0.000095939999999 81-82-3 54682651 144212177 F F Coumachlor Clc1ccc(cc1)C(CC(C)=O)C2=C(O)c3ccccc3OC2=O Tox21_301860 -NCGC00255582-01 196728185 tox21-ror-cho-viability-p1 set3 4 2.70733148 10.81981696 -4.05290578 2.25458391 4.91251705 -0.26657395 6.01423148 4.70245895 3.59066997 5.01502341 1.81299883 5.15069694 4.2155513 0.53654106 2.76903963 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-45-8 8187 144212610 F Ac Undec-10-enal C=CCCCCCCCCC=O Tox21_302293 -NCGC00256202-01 196728192 tox21-ror-cho-viability-p1 set3 4 -0.27646937 -2.22986032 0.91196575 0.4678775 -0.33276439 0.05315948 2.71033281 -7.67785243 0.43690806 1.33039852 -0.08283886 -0.03785392 1.53544857 3.16353697 -0.70605704 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3010-96-6 76382 144211931 A I 2,2,4,4-Tetramethylcyclobutane-1,3-diol CC1(C)C(O)C(C)(C)C1O Tox21_301614 -NCGC00255113-01 196728206 tox21-ror-cho-viability-p1 set3 -2.1 27.3060203028 -67.9906915434 -0.302371443 -68.2930629864 2.2481167061 0.9837914322 1.4E-8 -4.195599 4.78939685 -2.63024513 -0.43042361 -2.26033797 -0.23786333 -0.612228 1.89276696 0.98991078 -0.66853737 1.85804042 -8.92286378 -18.10718723 -50.72411971 -63.23431758 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26049-70-7 4373502 144212077 D 2-Hydrazino-4-(4-nitrophenyl)thiazole NNc1nc(cs1)c2ccc(cc2)[N+]([O-])=O Tox21_301760 -NCGC00255415-01 196728618 tox21-ror-cho-viability-p1 set3 4 -1.2574818 3.22736144 -0.59464165 -0.70793038 -1.98611883 -1.10032959 0.20268206 -5.05915574 3.47303456 -3.05966957 -1.68872515 -0.65641369 -1.17480154 -2.62962831 1.31429046 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2465-59-0 4644 144211537 A A Oxypurinol O=C1NC(=O)Nc2nncc12 Tox21_301220 -NCGC00256313-01 196728623 tox21-ror-cho-viability-p1 set3 2.4 3.0637858693 27.8898436239 -3.8898436239 24 0.4999999999 0.7689362506 0.0190585301 0.74570871 -6.07792447 -7.40820302 -2.76690415 0.82216368 1.91068844 3.74203902 5.95162357 0.39122576 5.05082115 6.69300093 17.50588528 23.13164939 12.63968575 -4.9901987 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 695-34-1 1533 144211914 C A 4-Methylpyridin-2-amine Cc1ccnc(N)c1 Tox21_301597 -NCGC00256222-01 196728625 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -22.059725856 1 -21.059725856 4.9549173134 0.6578129282 0.0598677536 -0.1624594 -5.74279575 1.49132799 3.41456864 0.38358982 -1.39910517 7.83971437 1.1539311 2.86989286 2.98372938 0.68909613 -0.98113942 1.82083629 1.49186747 -14.63310488 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18127-01-0 64832 144211566 A A 3-(4-tert-Butylphenyl)propanal CC(C)(C)c1ccc(CCC=O)cc1 Tox21_301249 -NCGC00255152-01 196729018 tox21-ror-cho-viability-p1 set3 -2.4 61.130564862 -30.148966016 3 -27.148966016 3.2974983358 0.6846328649 0.0453269048 0 3.13812165 -2.57710901 7.50536614 -1.70666541 6.04639175 0.23591419 9.80768014 6.69075501 8.00040566 -3.55780274 2.73452044 -1.81202129 -2.69160494 -20.95747168 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84371-65-3 55245 144212158 A A Mifepristone CN(C)c1ccc(cc1)[C@H]5C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]4CCC3=CC(=O)CCC3=C45 Tox21_301841 -NCGC00255616-01 196728698 tox21-ror-cho-viability-p1 set3 4 2.09166151 6.6162497 -0.83129873 10.06875897 -0.90073541 10.40509949 -0.13423208 -6.84544421 10.6728439 -6.91963491 13.04871435 -5.53209358 15.84911893 14.28078303 3.0576903 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14765-30-1 61771 144212091 A Ac 2-sec-Butylcyclohexanone CCC(C)C1CCCCC1=O Tox21_301774 -NCGC00255967-01 196728684 tox21-ror-cho-viability-p1 set3 4 -0.58476848 9.39381171 8.69214073 8.90929092 -5.91160925 4.84513064 -2.46932517 6.59791765 4.47957075 -6.3600616 7.52821258 0.83076664 -4.79660226 -0.39633346 3.94281817 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 590-46-5 11545 144212459 A Betaine hydrochloride [Cl-].C[N+](C)(C)CC(=O)O Tox21_302142 -NCGC00255941-01 196728689 tox21-ror-cho-viability-p1 set3 4 -1.19189294 -4.52324471 -4.27562738 3.68261959 5.92078247 -6.09892983 -7.95360279 4.28013824 7.73938244 -1.54579239 -2.27870449 7.58465457 -4.25370248 5.05280883 -1.7700623 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1205-17-0 64805 144211959 A A alpha-Methyl-3,4-methylene-dioxyhydrocinnamic aldehyde O=CC(C)Cc1ccc2OCOc2c1 Tox21_301642 -NCGC00255955-01 196728691 tox21-ror-cho-viability-p1 set3 4 8.6349217992 10.0845887759 -0.0845887759 10 4.9549173134 0.6998812933 0.0473321291 0.42254971 0.23248882 -3.40382398 -0.39427893 -0.63635487 -0.43717786 -2.89871948 4.10492191 -1.55241967 5.22882803 -3.37816596 4.38176345 9.34184827 10.70695612 3.65345174 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 827-19-0 23691974 144212532 A Ac Sodium 2,5-dimethylbenzenesulfonate [Na+].Cc1ccc(C)cc1S(=O)([O-])=O Tox21_302215 -NCGC00091532-04 196706692 tox21-ror-cho-viability-p1 set1 -2.2 34.7961750105 -56.412468461 -1.996252579 -58.40872104 1.713743691 0.84801701 0.0023869664 -4.28211008 -4.00521131 -3.58429124 -3.84764058 -4.34832523 -4.93720555 7.69907379 1.95806641 4.4714573 -6.88956261 7.48269854 -19.49954429 -15.99876326 -28.17912032 -57.263452 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00259590-01 196706690 tox21-ror-cho-viability-p1 set1 4 61.8150341915 -22.5140204 3 -19.5140204 3.2974983358 0.6597839689 0.0586298506 5.32479445 10.09189173 -0.68289651 2.7822853 0.15786696 5.25555763 3.51262294 1.22197844 0.68213121 8.13361754 2.2562678 -1.83540551 -0.6498935 -1.75810651 -14.595017 1.191E-9 2.664E-9 5.9569999999E-9 1.332E-8 2.978E-8 6.66E-8 1.489E-7 3.33E-7 7.446E-7 0.000001665 0.0000037229999999 0.0000083249999999 0.00001861 0.00004162 0.000093069999999 88-18-6 6923 144209239 A A 2-tert-Butylphenol CC(C)(C)c1ccccc1O Tox21_202041 -NCGC00259668-01 196706702 tox21-ror-cho-viability-p1 set1 4 -2.0013756 -0.65358214 0.05209957 2.71600605 -0.90290241 0.18895296 -0.66149981 2.89378379 -3.23492254 -2.62049177 0.83619209 -1.92224378 -1.13999083 1.89384402 -0.45250199 1.2169999999E-9 2.7209999999E-9 6.084E-9 1.36E-8 3.042E-8 6.802E-8 1.521E-7 3.401E-7 7.605E-7 0.0000016999999999 0.0000038019999999 0.000008502 0.00001901 0.00004251 0.00009506 106-22-9 8842 144209317 B B Citronellol C\C(C)=C\CCC(C)CCO Tox21_202119 -NCGC00256790-01 196707095 tox21-ror-cho-viability-p1 set1 4 4.3277125691 14.43094456 1.56905544 16 0.5 0.5239851581 0.1577458573 -1.1924538 7.79355041 2.01497121 0.01009992 7.39289168 -0.05502365 2.74249459 7.95561631 8.84307901 -0.91272245 7.22955656 14.07564225 13.623669 11.46320348 12.01372409 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 622-62-8 12150 144213001 C A 4-Ethoxyphenol CCOc1ccc(O)cc1 Tox21_302684 -NCGC00256335-01 196707097 tox21-ror-cho-viability-p1 set1 4 17.2289340586 -7.65063642 0 -7.65063642 4.9549173134 0.3783704605 0.2935644689 -3.41815839 -2.99444048 -6.05653539 -3.88749773 -1.08818654 4.62829254 -0.88981728 4.66892048 4.79602571 5.4662359 -0.22321997 -0.15344577 -4.06484522 -11.37553035 -4.53991132 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-80-4 7206 144213074 A A 2,4-D 1-butyl ester Clc1cc(Cl)ccc1OCC(=O)OCCCC Tox21_302757 -NCGC00256369-01 196707100 tox21-ror-cho-viability-p1 set1 4 -0.41538505 -5.74324142 0.2476406 -1.05342679 -1.85360215 -4.43167153 -3.59333815 -13.72697472 -8.62393607 -16.37768442 -12.11346664 -2.48192074 0.70197854 -2.27617946 -0.3580752 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-18-4 7285 144213280 Ac 1,2,3-Trichloropropane ClCC(Cl)CCl Tox21_302963 -NCGC00256940-01 196707101 tox21-ror-cho-viability-p1 set1 4 0.49115794 0.31759371 -4.24722009 -5.92051741 0.36763616 -4.5972764 -2.38613577 -2.23909034 -7.6767345 -2.98026593 0.4689081 0.48217762 -2.3048942 0.55531908 -2.76613891 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-08-8 8326 144213529 Tetrachlorophthalic anhydride O=C1OC(=O)c2c1c(Cl)c(Cl)c(Cl)c2Cl Tox21_303212 -NCGC00091080-03 196707102 tox21-ror-cho-viability-p1 set1 4 5.7419793619 -12.311730504 -6.48996262 -18.801693124 3.5117481694 0.7739660174 0.0131844377 -10.24976174 -10.70305973 -5.28829362 -9.77357179 -4.58023351 -7.547242 -2.07496885 -4.24868795 -5.64200262 -4.80546475 -8.12028414 -16.06757925 -22.33474427 -18.5738915 -14.56376098 1.1199999999E-9 2.5029999999E-9 5.5979999999E-9 1.2519999999E-8 2.799E-8 6.258E-8 1.399E-7 3.129E-7 6.9969999999E-7 0.0000015649999999 0.000003499 0.000007823 0.000017489999999 0.00003912 0.000087459999999 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00161422-04 196705478 tox21-ror-cho-viability-p1 set1 4 37.5780357627 -20.561178492 -1.5 -22.061178492 4.9549173134 0.4277813024 0.2453584076 0.71399262 0.03142533 -5.87633198 3.60552312 0.22099366 -15.27874508 -7.16918299 3.35045159 -2.27104739 -3.12194704 2.31411316 -2.21806355 1.48767858 -0.26469227 -18.38431541 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1216920-18-1 46861540 170466895 A Falnidamol dihydrochloride Cl.Cl.CN4CCC(Nc2nc3c(Nc1ccc(F)c(Cl)c1)ncnc3cn2)CC4 Tox21_111996_1 -NCGC00253696-01 196705462 tox21-ror-cho-viability-p1 set1 4 29.8492948118 -9.88667718 1.5 -8.38667718 4.0949729863 0.663818789 0.0579035086 0.38193197 5.10022633 0.5193844 1.84560349 -0.67419421 3.75242354 1.59867311 -0.00144208 0.36649071 -0.38488673 1.6309566 1.02854291 1.07409107 -0.40789604 -6.98889765 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84-19-5 5805243 170466708 A A Dienestrol diacetate O=C(C)Oc1ccc(cc1)/C(=C\C)C(=C\C)\c2ccc(OC(C)=O)cc2 Tox21_113818 -NCGC00094437-05 196705469 tox21-ror-cho-viability-p1 set1 4 -7.55530676 -1.83148623 -1.95404301 -2.54815715 1.38280648 -4.95722356 0.53670136 -1.5736332 -3.39373384 -1.17034922 -3.30120038 4.6106971 -2.87421898 -0.1840377 -0.15974948 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 153-94-6 9060 170465485 A d-Tryptophan O=C(O)[C@H](N)Cc2cnc1ccccc12 Tox21_111205_1 -NCGC00161599-09 196705471 tox21-ror-cho-viability-p1 set1 4 1.38683498 0.44209061 -0.06042766 4.63284596 -0.07101401 -0.3661561 -0.06583225 2.37833827 2.39171323 0.37985583 -0.03519232 1.58274942 1.53932251 1.38725454 2.42858539 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97322-87-7 5591 170465091 A Troglitazone Cc1c(O)c(C)c(C)c2OC(C)(CCc12)COc4ccc(CC3SC(=O)NC3=O)cc4 Tox21_112119_1 -NCGC00091086-02 196705479 tox21-ror-cho-viability-p1 set1 4 8.33209381 1.16823154 0.88366952 0.79753002 -0.69265489 -1.24887668 -0.60821636 3.17766337 3.76963503 1.71948514 1.87211517 3.06790459 -0.24743941 4.26467253 4.9557077 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00024808-02 196704883 tox21-ror-cho-viability-p1 set1 4 0.12977177 0.71274134 -3.11919545 1.31027731 2.22484161 0.07702392 -3.72607447 3.00198513 0.63987432 0.54427716 3.63544476 -0.20135252 0.66513673 0.11957028 6.26854423 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69014-14-8 50287 170466487 A Tiotidine N/C(N)=N/c1nc(CSCCNC(=N\C#N)\NC)cs1 Tox21_112041_1 -NCGC00016246-09 196704872 tox21-ror-cho-viability-p1 set1 4 -1.78095249 0.63339879 -0.812723 -2.04462887 0.08975451 -3.23828462 1.39300081 -3.30001792 -0.3415285 0.13752527 2.07065613 -0.36574796 0.08642837 1.64428751 -4.20144292 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55-56-1 9552079 170464748 A Chlorhexidine Clc2ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)cc2 Tox21_110325_1 -NCGC00253751-01 196704873 tox21-ror-cho-viability-p1 set1 4 2.46254602 1.36962836 -0.5718232 -1.51582416 1.56643201 -0.95879588 -2.6101709 -2.68265171 4.17088532 1.82887863 1.79068668 2.24944058 0.14681597 2.06462789 -1.98609981 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 509-78-4 17036 170466465 A Dimenoxadol CN(C)CCOC(=O)C(OCC)(c1ccccc1)c2ccccc2 Tox21_113866 -NCGC00018117-17 196704882 tox21-ror-cho-viability-p1 set1 4 3.26305613 0.28895157 1.68707534 -2.52392356 -3.79225969 -3.75520371 0.40363081 2.21321332 -0.29949888 0.46561539 1.69012764 -0.10596186 1.61803588 -0.56826487 0.42894702 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-55-9 2153 170466874 A Theophyllamine O=C2c1ncnc1N(C)C(=O)N2C Tox21_110827_1 -NCGC00095049-04 196705274 tox21-ror-cho-viability-p1 set1 4 -2.24924144 -0.0290539 3.8388543 -1.58533871 -0.00876352 3.69320647 -1.03660293 2.80251349 0.88564893 3.57176348 1.47044564 1.76590377 -2.50229217 -2.7363124 -1.35371674 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53370-90-4 3316 170465990 A Exalamide NC(=O)c1ccccc1OCCCCCC Tox21_111403_1 -NCGC00015099-11 196705277 tox21-ror-cho-viability-p1 set1 4 -4.85330265 1.51692061 -1.13729723 0.60215613 6.36942772 -0.12665855 -1.69752663 -2.91759119 0.57979461 -0.29050936 1.42657738 -0.54012667 -1.41697582 -4.08036831 -3.45152393 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13655-52-2 2119 170465812 A Alprenolol CC(C)NCC(O)COc1ccccc1CC=C Tox21_110084_1 -NCGC00091650-03 196705280 tox21-ror-cho-viability-p1 set1 4 3.02178621 2.36357967 3.0300462 -3.25667775 -0.38512919 4.18137523 2.27160192 -1.0410506 -3.5461599 2.23546604 2.57973162 3.68814077 0.3608118 2.73572564 -2.4376017 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00091468-02 196705282 tox21-ror-cho-viability-p1 set1 4 -2.67013604 -1.36829424 1.64934485 0.52119977 -1.02437553 -1.88896168 0.70323447 -0.08983014 1.10220007 2.81241438 -3.89198203 -0.57792725 -3.07876878 -0.15569137 2.20310254 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00257567-01 196702819 tox21-ror-cho-viability-p1 set1 4 75.7863708174 12.8985722359 -2.8985722359 10 4.9549173134 0.6323252092 0.0764104832 -2.95716078 -5.0362991 0.09675126 -4.63176158 -4.10374105 -1.45621509 -4.23338657 -0.4174938 -5.33214353 -1.41188945 -3.5980198 0.08775068 -1.29742371 -3.35260735 6.90618627 1.165E-9 2.606E-9 5.827E-9 1.303E-8 2.9129999999E-8 6.514E-8 1.457E-7 3.2569999999E-7 7.2829999999E-7 0.000001629 0.0000036419999999 0.000008143 0.00001821 0.00004071 0.00009104 2530-87-2 62449 144207211 D (3-Chloropropyl)trimethoxysilane CO[Si](CCCCl)(OC)OC Tox21_200013 -NCGC00258750-01 196702389 tox21-ror-cho-viability-p1 set1 4 120.9798757394 12.872770748 1.127229252 14 0.7999999999 0.5204489823 0.1639758821 0.38644459 0.03353746 -0.31064229 1.44448586 0.07981663 4.3311394 3.41140528 0.74121165 0.56718667 2.06251462 0.13084852 1.54304697 3.53607214 1.43526454 10.11889499 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.552E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.0000036629999999 0.00000819 0.00001831 0.00004095 0.000091569999999 60-19-5 66449 144208396 A A Tyramine hydrochloride Cl.Oc1ccc(CCN)cc1 Tox21_201198 -NCGC00163919-02 196702405 tox21-ror-cho-viability-p1 set1 4 -0.26040442 2.25678554 0.79701637 5.72930988 1.81812499 0.26663881 -1.79104005 -1.87714742 2.18225292 2.26146266 3.35631395 -1.53372918 4.01982355 0.28059244 -2.04585092 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00257691-01 196702816 tox21-ror-cho-viability-p1 set1 4 1.27452376 2.17833808 5.00960793 1.93399502 0.93500868 2.37870733 3.42140672 1.72039275 0.415041 -1.07516355 6.93536166 0.39401819 1.4215683 -1.02446229 -0.98947053 1.162E-9 2.599E-9 5.812E-9 1.2999999999E-8 2.9059999999E-8 6.4979999999E-8 1.453E-7 3.249E-7 7.265E-7 0.000001624 0.000003632 0.000008122 0.00001816 0.00004061 0.000090809999999 122-04-3 8502 144207335 A F 4-Nitrobenzoyl chloride O=[N+]([O-])c1ccc(cc1)C(Cl)=O Tox21_200137 -NCGC00254280-01 196715104 tox21-ror-cho-viability-p1 set2 4 -2.34682929 -5.40155532 -3.80152852 -2.96964571 -5.11301496 -7.04247749 -8.93420422 -7.41821886 -7.78417226 -8.19214416 1.23531651 -2.00381625 -7.06489812 -1.29787104 -1.43308597 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 298-02-2 4790 144210716 A A Phorate CCSCSP(=S)(OCC)OCC Tox21_300398 -NCGC00254901-01 196714273 tox21-ror-cho-viability-p1 set2 4 -4.98427455 -10.7553342 -5.81479902 -3.52119286 0.45397226 -4.75708848 -9.18629968 -4.16642448 -2.76968098 -3.01782402 -2.80304923 -5.57771017 -3.64230569 -2.95911557 -1.62385929 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 106-69-4 7823 144211316 D 1,2,6-Hexanetriol OCCCCC(O)CO Tox21_300999 -NCGC00254493-01 196714277 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -41.95617512 1 -40.95617512 4.9549173134 0.9772410489 1.005E-7 0.54528328 1.28626627 -0.41400991 1.21690512 0.88603721 0.65293454 0.40984024 -0.32559043 4.89807327 1.47668968 0.56563265 -0.00969514 0.75775803 -0.11419545 -33.2968126 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 291305-06-1 9908126 144210776 A A UK-373911 NS(=O)(=O)c1ccc2c(c1)[C@H](CC[C@H]2c3ccc(Cl)c(Cl)c3)NC Tox21_300458 -NCGC00091205-03 196714281 tox21-ror-cho-viability-p1 set2 4 -1.85233946 -3.2765111 2.08048538 2.53309205 -0.72389318 0.75564704 -0.39315121 -3.78943395 -3.2521177 2.410198 2.51422194 2.85909054 -1.85095566 0.08482959 -6.69074224 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00254993-01 196715105 tox21-ror-cho-viability-p1 set2 4 -1.19260818 1.10415257 2.28716014 -0.39202074 -1.11933309 3.12791954 0.37383133 -0.21516277 -0.74433355 1.46219487 0.50768695 3.27568183 -1.6391031 -0.04805322 -0.31595562 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 161326-34-7 10403199 144211410 B B Fenamidone CSC2=N[C@](C)(C(=O)N2Nc1ccccc1)c3ccccc3 Tox21_301093 -NCGC00254449-01 196715108 tox21-ror-cho-viability-p1 set2 4 0.80830968 2.5667554 0.07202122 1.70672754 0.18659887 1.95934574 1.57118353 1.65323653 1.43391411 -0.33254056 1.89906677 5.03752373 4.91229169 2.32305947 4.390375 9.0839999999E-10 2.0309999999E-9 4.5419999999E-9 1.016E-8 2.271E-8 5.0779999999E-8 1.135E-7 2.539E-7 5.677E-7 0.00000127 0.000002839 0.0000063479999999 0.00001419 0.00003174 0.000070969999999 50892-23-4 5694 144210951 A A Pirinixic acid Cc2cccc(Nc1cc(Cl)nc(SCC(=O)O)n1)c2C Tox21_300634 -NCGC00254443-01 196715116 tox21-ror-cho-viability-p1 set2 -1.1 1.5355303643 -94.2681211109 1.2509126749 -93.017208436 1.6258976909 0.9959030216 0 0.2569557 0.29603999 2.96118988 0.42423946 0.0691767 0.29941489 0.08296327 -3.2717307 -21.93831366 -46.61411356 -71.00121923 -93.60109515 -94.52968337 -89.80365618 -89.93457499 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7487-94-7 5284416 144210809 Mercuric chloride [Hg+2].[Cl-].[Cl-] Tox21_300491 -NCGC00091088-05 196715117 tox21-ror-cho-viability-p1 set2 4 -1.58896925 -7.65778671 -9.49686831 -6.46766067 0.93401164 -7.87673361 -13.77356846 0 0.15126491 -5.86835347 -12.89556379 1.35874039 -7.20885753 -10.66753314 0.06510883 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00254914-01 196715121 tox21-ror-cho-viability-p1 set2 4 0.36038983 -4.06577995 -0.06381658 2.00374231 -0.82425837 -0.66880321 -2.62340181 -2.98886624 -0.80040733 1.24186442 -2.97813321 -1.13538278 -4.78943343 -2.77755328 -2.80653701 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 81335-77-5 54740 144211329 A A Imazethapyr CC1(N=C(NC1=O)c2ncc(CC)cc2C(=O)O)C(C)C Tox21_301012 -NCGC00178638-02 196716805 tox21-ror-cho-viability-p1 set2 4 26.6032120037 8.0814478239 -2.0814478239 6 3.6772481694 0.4115578942 0.2647391668 -0.10283964 -2.57476924 0.51922634 -2.43780914 -5.61500205 -2.23258092 -2.72120971 -7.15120652 0.33188292 -0.1342295 -0.25667815 -3.85503023 -0.28221078 0.15396137 4.82645992 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 124832-27-5 60772 170465373 D Valaciclovir Cl.CC(C)[C@H](N)C(=O)OCCOCn2cnc1c2N=C(N)NC1=O Tox21_111738_1 -NCGC00258342-01 196716385 tox21-ror-cho-viability-p1 set2 -3 26.9454243393 -57.9540743182 2.3353624175 -55.6187119007 4.9549173134 0.8670510437 0.0020757004 5.039891 5.05766873 3.51149881 3.94707271 3.66668613 5.35659342 2.35573353 2.1923509 5.23469326 -0.27590697 1.4936249 -15.37450249 2.53921218 -57.93615823 -13.62026068 1.167E-9 2.609E-9 5.835E-9 1.305E-8 2.917E-8 6.524E-8 1.459E-7 3.262E-7 7.294E-7 0.000001631 0.0000036469999999 0.0000081549999999 0.00001823 0.00004077 0.00009117 52417-22-8 2723598 144207986 A A 9-Aminoacridine, monohydrochloride, monohydrate Cl.O.Nc1c3ccccc3nc2ccccc12 Tox21_200788 -NCGC00015300-10 196716794 tox21-ror-cho-viability-p1 set2 -3 33.4914596268 -81.3317568464 -2.372965009 -83.7047218554 4.9549173134 0.9869246467 4E-9 -1.47604569 -5.57572081 -4.79783019 -5.42388436 0.30445548 -3.04567234 -2.6166421 -4.32851607 -1.75932394 -1.74224241 -0.84813392 -2.57898594 -0.94241447 -6.85957042 -73.42519461 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67469-78-7 104920 170466088 A Vanoxeamine Cl.Cl.Fc1ccc(cc1)C(OCCN2CCN(CC2)CCCc3ccccc3)c4ccc(F)cc4 Tox21_110125_1 -NCGC00258506-01 196730274 tox21-ror-cho-viability-p1 set3 4 0.0369873569 -26.27448721 -19.67157877 0 0 0 -5.51410637 0 0 0 -12.70798441 -9.03015585 -6.37302995 1.46183895 0.20722033 2.99721093 1.185E-9 2.6499999999E-9 5.9249999999E-9 1.325E-8 2.9629999999E-8 6.625E-8 1.481E-7 3.312E-7 7.406E-7 0.000001656 0.0000037029999999 0.000008281 0.00001852 0.0000414 0.00009258 605-71-0 11803 144208151 A F 1,5-Dinitronaphthalene [O-][N+](=O)c2cccc1c2cccc1[N+]([O-])=O Tox21_200953 -NCGC00091650-03 196729858 tox21-ror-cho-viability-p1 set3 4 0.685896219 11.4859639559 -9.9859639559 1.5 4.9549173134 0.4331816457 0.2398452848 -0.74178728 -3.75162667 -23.32163663 -10.84204182 -9.95148485 0 -14.92103659 -16.38770347 -2.64960434 0 0 -6.13974923 4.78203859 7.20492127 2.12758619 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00090986-03 196729868 tox21-ror-cho-viability-p1 set3 -2.1 61.5037543138 -91.1119089185 0.5334850929 -90.5784238256 3.2474983358 0.9939294548 0 0.16513126 1.82692871 1.19515555 -0.04232566 -1.38409245 2.10362614 0.85053344 -2.48486199 2.51483384 3.01482799 -0.12916589 -0.76054467 -0.96337434 -18.40976706 -71.65032108 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00090708-05 196730268 tox21-ror-cho-viability-p1 set3 -1.2 6.8589621897 -48.3307911391 -1.573851379 -49.9046425181 1.0999999999 0.9697671546 5.073E-7 0.08795019 -2.51527874 1.13783341 -5.37442253 -5.04600564 -4.72335974 3.01514316 -5.4023607 -4.00458288 -6.50946015 -23.43899329 -26.99109645 -36.89727568 -43.87059978 -47.72337063 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00258642-01 196729951 tox21-ror-cho-viability-p1 set3 4 0.21156115 1.76068991 1.14537563 2.4900064 1.08857707 0.43169529 0.38344058 1.5750191 3.34316381 0.23952742 2.51638959 -1.71489895 -1.15333692 -0.28024044 -0.45972028 1.197E-9 2.676E-9 5.9839999999E-9 1.338E-8 2.992E-8 6.69E-8 1.496E-7 3.345E-7 7.48E-7 0.000001673 0.00000374 0.000008363 0.000018699999999 0.000041819999999 0.0000935 513-88-2 10567 144208288 D 1,1-Dichloropropanone ClC(Cl)C(C)=O Tox21_201090 -NCGC00258047-01 196729529 tox21-ror-cho-viability-p1 set3 4 1.16337917 2.93050738 0.11918641 0.33918269 1.4165918 0.15732425 0.38767449 -1.34354332 2.89846205 -1.07494501 1.03994044 2.44417856 0.48432159 -2.68079559 -0.63755553 1.214E-9 2.715E-9 6.07E-9 1.357E-8 3.035E-8 6.786E-8 1.517E-7 3.393E-7 7.587E-7 0.000001697 0.000003794 0.000008483 0.00001897 0.00004242 0.000094839999999 1192-28-5 14500 144207691 A A Cyclopentanone oxime O\N=C1\CCCC1 Tox21_200493 -NCGC00090962-05 196729530 tox21-ror-cho-viability-p1 set3 4 34.166596305 -25.26489316 4.5 -20.76489316 0.6999999999 0.7541201187 0.018326877 11.30142847 0.60988275 8.46612792 5.86152811 5.0708584 0.66974367 0.10510801 0.6616541 0.5101916 1.19586179 0.11828685 0.27370213 -2.79468632 -10.38364629 -13.9707443 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00257585-01 196729532 tox21-ror-cho-viability-p1 set3 4 0.1986317753 -13.500671572 0.5 -13.000671572 4.9549173134 0.3896652556 0.2976530189 1.34988783 2.57285786 -2.46834694 -2.88619232 2.39515494 -0.2360567 -0.75290883 -17.19087879 -22.26741867 -26.66722631 -21.47863494 0 0.78290205 -2.41027627 -0.07593587 1.2069999999E-9 2.6979999999E-9 6.033E-9 1.349E-8 3.017E-8 6.745E-8 1.5079999999E-7 3.373E-7 7.541E-7 0.0000016859999999 0.0000037709999999 0.000008432 0.00001885 0.000042159999999 0.000094269999999 1585-07-5 15313 144207229 AC Ac 1-Bromo-4-ethylbenzene CCc1ccc(Br)cc1 Tox21_200031 -NCGC00091426-02 196730345 tox21-ror-cho-viability-p1 set3 4 0.77406858 0.64595398 0.22310662 -1.08318361 0.56497813 1.44696026 0.07100095 -0.01225061 -1.89721903 -8.08669565 -8.41322129 1.92311432 -0.9611323 0.63914588 0.7748042 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00259777-01 196709191 tox21-ror-cho-viability-p1 set2 4 0.58280591 1.89284966 2.34822579 -1.47493403 1.16271879 0.37356494 -0.49256456 2.53806855 2.76175036 2.47116027 0.09993561 0.9318275 1.93785613 1.52477766 2.08294865 1.159E-9 2.592E-9 5.797E-9 1.2959999999E-8 2.898E-8 6.481E-8 1.449E-7 3.241E-7 7.246E-7 0.00000162 0.000003623 0.000008101 0.00001812 0.00004051 0.000090579999999 33820-53-0 36606 144209426 A A Isopropalin [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)C(C)C Tox21_202228 -NCGC00256318-01 196708355 tox21-ror-cho-viability-p1 set1 4 0.0012197151 10.582039764 -9.582039764 1 0.7999999999 0.4351879904 0.2431662927 -6.31836647 0.89887308 -3.54245443 0.2316804 0.59547493 -0.24621812 -2.04327397 -0.14024174 4.54438748 0.14995188 -0.25050218 -0.09167006 2.50526423 2.59820417 1.15857743 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 680-31-9 12679 144213102 A A Hexamethylphosphoramide CN(C)P(=O)(N(C)C)N(C)C Tox21_302785 -NCGC00256952-01 196708360 tox21-ror-cho-viability-p1 set1 4 0.1087072248 6.17483572 -3.17483572 3 3.9294729863 0.4448716605 0.2301872267 -2.26527491 0.48481609 -5.30764855 -2.48619076 0.16539023 -10.5623631 5.08567038 5.29500349 0.15298677 5.05110436 3.31003159 -0.62818075 -0.23215757 4.35634426 4.27038896 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1122-62-9 14286 144213421 A F 2-Acetylpyridine CC(=O)c1ccccn1 Tox21_303104 -NCGC00259709-01 196708767 tox21-ror-cho-viability-p1 set2 4 -5.71770379 -0.21662056 2.75528551 -13.0087669 -2.9127557 -0.02075124 -0.46138764 -0.23783511 -2.02410053 -3.73216808 -4.63314897 -0.08116301 -4.65584214 -5.84245438 -3.12783216 1.1739999999E-9 2.626E-9 5.871E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.282E-7 7.339E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.000091739999999 50471-44-8 39676 144209358 A A Vinclozolin O=C1N(C(=O)OC1(C)C=C)c2cc(Cl)cc(Cl)c2 Tox21_202160 -NCGC00258835-01 196709192 tox21-ror-cho-viability-p1 set2 4 2.54860555 3.06109981 2.18704497 -10.17066136 1.33243584 -3.90941389 -1.68799892 -3.62267707 2.71801382 1.06788938 0.96218341 0.71970452 -26.25235709 -0.99939878 3.01915586 1.202E-9 2.688E-9 6.0109999999E-9 1.344E-8 3.005E-8 6.7199999999E-8 1.503E-7 3.36E-7 7.5129999999E-7 0.0000016799999999 0.0000037569999999 0.0000084 0.00001878 0.000042 0.00009392 3165-93-3 18487 144208481 A A 4-Chloro-2-methylaniline hydrochloride Cl.Cc1cc(Cl)ccc1N Tox21_201283 -NCGC00163843-03 196709592 tox21-ror-cho-viability-p1 set2 4 -4.33953349 -0.99832576 -0.74570051 0.34702766 -0.28314765 -4.81191184 -0.64822357 -1.86345309 -0.60405459 -3.04802557 -1.25087519 0.60084212 -1.26027711 -3.37924228 -2.97454474 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00259739-01 196709597 tox21-ror-cho-viability-p1 set2 4 60.0752598112 13.5907721399 -0.5907721399 13 2.3531167061 0.7633731346 0.0161546642 -0.75122009 2.32968822 -2.73190888 -3.82564345 -0.84198522 -1.11623405 -0.49466251 -0.08368871 0.15973303 -1.08985721 -1.44384157 0.10456399 2.14671335 2.25112853 9.38339911 1.163E-9 2.5999999999E-9 5.8149999999E-9 1.2999999999E-8 2.9069999999E-8 6.501E-8 1.454E-7 3.25E-7 7.268E-7 0.000001625 0.000003634 0.000008126 0.00001817 0.00004063 0.000090849999999 121-03-9 8458 144209388 A A 2-Methyl-5-nitrobenzenesulfonic acid Cc1ccc(cc1S(O)(=O)=O)[N+]([O-])=O Tox21_202190 -NCGC00259328-01 196709605 tox21-ror-cho-viability-p1 set2 4 30.980905983 -19.449618448 0.5 -18.949618448 4.0949729863 0.9371502713 0.0000292332 3.36543212 0.88509056 0.81373799 0.86186654 3.36840511 -2.31266123 1.29263896 0.17264301 -0.5230382 -0.11824859 0.11174677 -0.4865892 -3.61099275 -13.20832822 -19.12468204 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.33E-7 7.446E-7 0.000001665 0.0000037229999999 0.000008324 0.00001861 0.00004162 0.000093069999999 77-90-7 6505 144208977 A A Acetyl tributyl citrate CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC Tox21_201779 -NCGC00256870-01 196707134 tox21-ror-cho-viability-p1 set1 4 3.34433361 2.9459303 -0.02330311 0.39180284 0.69951391 1.31866257 -0.64980256 7.34793141 5.96153114 0.21322697 -0.84957875 7.5137153 4.74146063 1.49733582 4.23811891 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 28069-72-9 5362833 144212791 A A trans-2,cis-6-Nonadien-1-ol CC\C=C/CC\C=C\CO Tox21_302474 -NCGC00259348-01 196706720 tox21-ror-cho-viability-p1 set1 4 3.43383487 -6.93910404 0.32256747 3.29551247 -0.06036253 0.65444789 0.53556364 1.30356436 0.80005887 12.93329953 0.80419798 1.16213151 0.57406751 1.32343958 1.10120085 1.194E-9 2.67E-9 5.9699999999E-9 1.335E-8 2.985E-8 6.675E-8 1.493E-7 3.337E-7 7.463E-7 0.000001669 0.0000037309999999 0.0000083439999999 0.00001866 0.00004172 0.00009329 111-88-6 8144 144208997 A Fns 1-Octanethiol CCCCCCCCS Tox21_201799 -NCGC00259761-01 196706726 tox21-ror-cho-viability-p1 set1 4 0.4732584545 25.339104044 -20.839104044 4.5 0.2 0.388857521 0.2825042122 -15.59383536 -10.27658419 -18.1064759 -15.04207062 -13.13456151 -7.04556144 -1.19821265 -10.84304262 -7.34666284 -19.44925337 3.14651177 -5.27303365 -7.20863217 -0.68171149 -1.81937502 1.155E-9 2.582E-9 5.7739999999E-9 1.291E-8 2.887E-8 6.4549999999E-8 1.443E-7 3.2279999999E-7 7.217E-7 0.000001614 0.0000036089999999 0.000008069 0.000018039999999 0.00004035 0.00009022 139-02-6 4445035 144209410 A A Sodium phenolate [Na+].[O-]c1ccccc1 Tox21_202212 -NCGC00091586-02 196706727 tox21-ror-cho-viability-p1 set1 4 -7.15705006 -4.23391677 -9.51521434 -11.16456551 -2.27972011 -4.61707787 -5.7344335 -4.12966697 0.6082834 -7.23633608 -15.80850219 -4.35419969 -10.59827136 -8.22682817 -7.56022725 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00259674-01 196706523 tox21-ror-cho-viability-p1 set1 4 4.29966926 1.50907464 -2.12412612 -1.71398751 -0.26650777 0.35536451 0.03453429 4.64592394 1.41098522 0 -3.38869426 -4.31347536 -1.4257603 0.53514895 5.26443039 1.182E-9 2.644E-9 5.9109999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.305E-7 7.3889999999E-7 0.0000016519999999 0.0000036949999999 0.000008261 0.000018469999999 0.00004131 0.000092359999999 121-32-4 8467 144209323 A A 3-Ethoxy-4-hydroxybenzaldehyde CCOc1cc(ccc1O)C=O Tox21_202125 -NCGC00259433-01 196705700 tox21-ror-cho-viability-p1 set1 -2.4 7.8840938327 -20.579941652 -6.432963136 -27.012904788 0.8999999999 0.8158070087 0.0056226058 -8.63376331 -6.95534099 -7.13048043 -11.81653708 -9.15966614 -7.01274255 -7.38324116 -5.02394262 -2.02746928 -11.06018249 -14.3242334 -21.11401974 -16.33056069 -24.42701174 -25.01075399 1.204E-9 2.692E-9 6.02E-9 1.346E-8 3.01E-8 6.7309999999E-8 1.5049999999E-7 3.365E-7 7.5249999999E-7 0.000001683 0.000003763 0.000008413 0.000018809999999 0.000042069999999 0.00009406 135-19-3 8663 144209082 A A 2-Naphthalenol Oc1ccc2ccccc2c1 Tox21_201884 -NCGC00258854-01 196705705 tox21-ror-cho-viability-p1 set1 4 6.1130564862 7.0982331399 -8.0982331399 -1 4.9549173134 0.3702153437 0.3011567537 -10.60071473 -6.68411404 -10.47047788 -12.39989757 -9.95152693 -2.6834751 0.48077196 -9.41672486 -4.06826894 -9.17519069 -12.58186095 0.13658912 -6.18241183 -0.33862269 2.45421371 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041229999999 0.00009218 1115-20-4 14218 144208500 A A 3-Hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropanoate CC(C)(CO)COC(=O)C(C)(C)CO Tox21_201302 -NCGC00258834-01 196706125 tox21-ror-cho-viability-p1 set1 4 0.1347693428 25.9413254999 -20.9413254999 5 0.3 0.5507028748 0.1505180196 -18.34972627 -10.60977959 -10.27865793 -24.11777125 -3.58154518 -5.44284194 -9.71323963 -10.57440476 -7.28107902 -3.04759931 5.97308116 -4.1359964 -0.58900323 0.7215972 -9.80867445 1.165E-9 2.605E-9 5.8259999999E-9 1.303E-8 2.9129999999E-8 6.5129999999E-8 1.456E-7 3.2569999999E-7 7.282E-7 0.000001628 0.000003641 0.000008142 0.00001821 0.00004071 0.00009103 957-51-7 13728 144208480 A A Diphenamid O=C(C(c1ccccc1)c2ccccc2)N(C)C Tox21_201282 -NCGC00258894-01 196706527 tox21-ror-cho-viability-p1 set1 4 -0.24097001 -1.3378276 -15.28378114 -23.99577987 -2.8540699 -0.22807626 -10.55290765 -2.44196044 -0.74802706 -1.47819644 2.39385245 1.08715579 -11.00994425 -16.62484779 -21.97994621 1.1429999999E-9 2.555E-9 5.713E-9 1.277E-8 2.857E-8 6.3869999999E-8 1.428E-7 3.194E-7 7.141E-7 0.000001597 0.000003571 0.000007984 0.00001785 0.00003992 0.000089269999999 577-11-7 23673837 144208540 A A Docusate sodium [Na+].O=S(=O)([O-])C(CC(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC Tox21_201342 -NCGC00259070-01 196706532 tox21-ror-cho-viability-p1 set1 4 0.1386655353 8.1072408759 -5.6072408759 2.5 1.98874246 0.5144088204 0.1661469686 -2.22193418 -2.26983471 -14.67270073 -2.90934077 -5.97043548 -4.26996303 -0.74072956 -0.28579197 5.77763304 0 -2.02762419 -1.1745823 4.76578853 5.43213961 4.04300594 1.193E-9 2.6679999999E-9 5.9659999999E-9 1.3339999999E-8 2.9829999999E-8 6.67E-8 1.491E-7 3.335E-7 7.457E-7 0.0000016669999999 0.000003728 0.000008337 0.00001864 0.000041689999999 0.000093209999999 4098-71-9 169132 144208718 FNS Isophorone diisocyanate O=C=N\C1CC(C)(C)CC(C)(C1)C\N=C=O Tox21_201520 -NCGC00259893-01 196706538 tox21-ror-cho-viability-p1 set1 4 2.8713783 5.43080587 3.29256215 4.91987118 2.06027719 1.93679887 2.63363636 -0.70543071 13.02876562 8.47090995 0.91547738 4.53783446 0.40491018 3.6895738 2.77143115 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.312E-7 7.405E-7 0.000001656 0.000003702 0.000008279 0.00001851 0.0000414 0.00009256 1067-53-4 14025 144209542 FC Tris(2-methoxyethoxy)vinylsilane COCCO[Si](OCCOC)(C=C)OCCOC Tox21_202344 -NCGC00357255-01 196704073 tox21-ror-cho-viability-p1 set1 4 -5.01899478 -2.9406913 -3.56215584 0.85115141 -2.3793105 -6.15479702 -3.15487813 -0.94902751 -2.48400142 1.24909177 0.85584984 -0.28847789 -1.0898427 -4.04728483 -10.82355555 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84-58-2 91759534 251919956 2,3-Dichloro-5,6-dicyano-p-benzoquinone ClC=1C(=O)C(C#C)=C(C#C)C(=O)C=1Cl Tox21_304048 -NCGC00260129-01 196703651 tox21-ror-cho-viability-p1 set1 4 4.40295312 0.17258946 5.57902288 1.98084521 -0.02366813 -2.93380298 1.17309772 9.33558892 -3.81541284 1.42500713 0.14339058 0.07530316 -1.93992056 0.7233892 6.11952283 1.1859999999E-9 2.6519999999E-9 5.9309999999E-9 1.326E-8 2.9649999999E-8 6.6309999999E-8 1.4829999999E-7 3.315E-7 7.4129999999E-7 0.0000016579999999 0.000003707 0.000008288 0.00001853 0.000041439999999 0.000092669999999 7720-78-7 24393 144209778 Iron(II) sulfate [Fe+2].[O-]S([O-])(=O)=O Tox21_202580 -NCGC00260124-01 196704054 tox21-ror-cho-viability-p1 set1 4 4.47258304 5.35701336 0.23757651 5.5465309 0.63313311 3.07314426 2.90737713 6.72319694 2.70438697 -0.83739579 2.60927057 -1.48438783 1.53805248 0.66262596 3.04242438 1.14E-9 2.55E-9 5.7019999999E-9 1.2749999999E-8 2.851E-8 6.375E-8 1.4249999999E-7 3.1869999999E-7 7.127E-7 0.000001594 0.000003564 0.000007969 0.00001782 0.00003984 0.00008909 2768-02-7 76004 144209773 F Vinyltrimethoxysilane C=C[Si](OC)(OC)OC Tox21_202575 -NCGC00168342-02 196704062 tox21-ror-cho-viability-p1 set1 4 -1.67043036 -17.67022266 -3.96662549 -1.33489153 -13.93814358 -3.16878684 -1.59896969 -6.17959053 1.9654344 -5.49589401 -0.07053747 -6.08453094 -9.72978596 -10.40591929 -5.31919317 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00263910-02 196704481 tox21-ror-cho-viability-p1 set1 4 0.1048062 0.24223491 1.09128362 0.83338997 0.02650562 2.12240988 -1.25977051 -1.16053153 0.68506171 2.37187634 1.14696011 -0.64499838 0.45743139 2.13743089 1.05523226 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 20701-77-3 176163 170466283 B F Aminopentamide sulfate O=S(=O)(O)O.NC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2 Tox21_113961 -NCGC00091519-09 196704483 tox21-ror-cho-viability-p1 set1 4 1.72588509 -5.44325616 0.24854127 -5.39561238 1.30325533 -5.67928732 -3.03447428 1.09710141 0.64946384 -0.05569039 -2.61193383 -2.25488816 -2.21116574 -5.13433965 -2.39512921 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 106-44-5 2879 170465495 F p-Cresol Cc1ccc(O)cc1 Tox21_113445_1 -NCGC00163953-03 196716788 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -41.3683162353 -2 -43.3683162353 4.9549173134 0.9006638678 0.0003121075 0.19244124 -1.89069759 -7.97633928 -6.96495295 -2.29275681 -1.60621464 -3.3841777 -2.37066481 -1.55884498 0.93136666 3.97622004 -0.16233739 -2.25359864 -4.25730402 -35.60977479 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00253690-01 196716789 tox21-ror-cho-viability-p1 set2 4 18.8336317891 24.3763393799 -4.3763393799 20 0.4 0.5748287009 0.115856365 1.49107379 -9.06361615 -8.16282655 -0.42303109 -1.23751084 -1.22082653 -7.35790087 -1.70605727 5.86291195 0.11225251 2.26375091 5.8986433 4.0093238 2.28984311 14.53593987 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7303-78-8 23728 170466590 A F Imidoline CN(C)CCN1CCN(C1=O)c2cccc(Cl)c2 Tox21_113812 -NCGC00168776-03 196717196 tox21-ror-cho-viability-p1 set2 4 -6.65581563 -3.42741509 -1.16122691 -1.02495144 -0.37005798 -7.95676003 -7.01046841 -5.15839151 2.02498781 1.17573674 1.62483274 0.06852112 0.44523942 0.99200831 0.06624456 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 136817-59-9 5625 170464664 A Delavirdine O=C(c1cc2cc(NS(C)(=O)=O)ccc2n1)N3CCN(CC3)c4ncccc4NC(C)C Tox21_112637_1 -NCGC00091284-03 196718023 tox21-ror-cho-viability-p1 set2 4 1.7228934059 -5.8909965919 3.5 -2.3909965919 1.4163171 0.6776782986 0.0498663987 2.11293429 1.75830222 1.84960019 3.24751966 2.68042836 5.79579332 5.52372628 5.3605496 0.45076328 -0.0505405 -0.76515746 0.56379565 -3.71049657 -0.73751298 -4.49249716 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00168269-02 196718028 tox21-ror-cho-viability-p1 set2 4 -6.74361815 -6.27118425 -12.73818516 -3.46053117 -1.52814222 -4.66005095 -3.25031951 -2.4918835 -4.29748598 -10.71403431 -8.50207464 -7.1003189 -4.25999559 -1.83683737 -6.69263676 1.377E-9 3.0799999999E-9 6.887E-9 1.54E-8 3.443E-8 7.699E-8 1.722E-7 3.8499999999E-7 8.608E-7 0.0000019249999999 0.000004304 0.000009624 0.000021519999999 0.000048119999999 0.00010759999999 24973-25-9 62786 144206403 A A 2,5-Dimethoxyamphetamine hydrochloride Cl.COc1ccc(cc1CC(C)N)OC Tox21_112850 -NCGC00016532-07 196718030 tox21-ror-cho-viability-p1 set2 4 0.24640803 1.47697873 2.79288169 3.50146995 1.8823427 2.69878974 4.68428355 4.27603483 1.25192523 2.96882552 2.96198518 1.90429565 2.62139432 2.08834585 1.70298019 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 695-53-4 3081 170466460 Z Dimethadione O=C1NC(=O)C(C)(C)O1 Tox21_110479_1 -NCGC00257394-01 196718444 tox21-ror-cho-viability-p1 set2 4 0.44154646 2.09414498 -0.28356824 0.15433292 -0.20472131 1.83433825 1.65719986 2.60243557 4.38533839 2.37984257 4.79255017 -2.82936542 0.20542441 1.64405193 5.77061081 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-96-6 20083 144213664 A A 2-Octanol CC(O)CCCCCC Tox21_303347 -NCGC00090942-03 196718041 tox21-ror-cho-viability-p1 set2 -2.1 61.130564862 -84.6418345048 -3.954763236 -88.5965977408 3.1924983358 0.9857359689 6.7E-9 -4.16476574 -5.16776692 -1.36515428 -5.67078466 -1.57980829 -7.55178707 -1.24010172 -1.24217953 -3.57107821 -5.36165085 -6.9257956 -3.53891705 -7.80624018 -21.2987008 -70.90651344 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00015675-08 196717641 tox21-ror-cho-viability-p1 set2 4 0.36754939 0.99455062 -0.63262617 0.86826626 -0.51064586 0.93329379 -1.18459081 -0.61099373 1.60489487 2.43680791 0.91750075 0.61779027 -0.01295389 -0.4136233 0.96494248 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00249610-02 196717642 tox21-ror-cho-viability-p1 set2 2.2 14.9600854925 41.8690653479 2.5614670749 44.4305324228 1.4787409999 0.9453817631 0.0000136264 -0.15355575 -0.98472016 2.09650357 3.86525092 3.77606248 4.99512289 5.63444158 6.05557747 -0.25015374 0.14524232 6.56449733 9.40433237 15.16516973 25.23017288 41.58396717 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69388-79-0 50491 170466792 A Pivoxil Sulbactam O=S1(=O)C2CC(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)C1(C)C Tox21_113082_1 -NCGC00090756-12 196717650 tox21-ror-cho-viability-p1 set2 4 2.83000055 3.92147004 2.14168646 1.22529431 5.06800183 5.08773226 4.08375037 -1.66269105 2.90007904 -1.04333481 -0.1634018 2.24880194 2.18274625 0.89243766 -0.63961132 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127-47-9 638034 170465512 F Retinol acetate CC=1CCCC(C)(C)C=1/C=CC(\C)=C\C=C\C(\C)=C\COC(C)=O Tox21_113549_1 -NCGC00161601-02 196718048 tox21-ror-cho-viability-p1 set2 4 -2.60309689 -2.13850897 -3.09494658 -3.55267248 -1.07766543 -1.3212214 -2.30504412 -1.76686222 -4.25148028 -2.89110253 -0.3038683 -2.66332281 -1.70666025 1.70497708 -6.10660845 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 49627-27-2 5352624 170466724 A Sulindac sulfide CSc1ccc(cc1)/C=C3\c2ccc(F)cc2C(CC(=O)O)=C3C Tox21_113636_1 -NCGC00253634-01 196718053 tox21-ror-cho-viability-p1 set2 4 2.16740254 0.90818871 3.37473372 2.92578292 8.28585016 2.47568223 6.88724448 4.49484925 2.3441962 4.43474667 3.33261481 -0.51671505 2.33918542 1.64031435 -0.95928049 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 22663-37-2 89785 170466753 A C 1-(4-Chlorobenzenesulfonyl)urea O=S(=O)(NC(N)=O)c1ccc(Cl)cc1 Tox21_113761 -NCGC00258787-01 196708786 tox21-ror-cho-viability-p1 set2 4 19.1740181484 6.0700666319 -1.5700666319 4.5 2.0478617061 0.5963211679 0.1024436419 -0.52099414 -0.29538823 -0.63843107 -6.30838886 -1.2659644 0.68409119 -1.58894573 -0.37290704 -2.38912429 -2.45335148 -0.37679145 -1.45496761 2.06496343 3.02868059 4.53093219 1.172E-9 2.6199999999E-9 5.858E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.275E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008187 0.00001831 0.000040929999999 0.00009153 1119-40-0 14242 144208433 A A Dimethyl glutarate O=C(CCCC(=O)OC)OC Tox21_201235 -NCGC00255487-01 196710839 tox21-ror-cho-viability-p1 set2 4 0.16496169 -4.36020767 -0.82561641 -8.59788908 -1.49886386 -3.5610523 -3.0151115 -8.63843098 -1.78323974 1.02939121 -0.3780465 -2.55301713 0.16024193 -1.31697211 0.21916525 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 138-87-4 8748 144212695 Z F beta-Terpineol CC1(O)CCC(CC1)C(=C)C Tox21_302378 -NCGC00255269-01 196710840 tox21-ror-cho-viability-p1 set2 4 3.92988781 -0.65236419 -0.4277584 -0.64915521 -1.63499095 -0.24806221 2.65141337 2.36600878 1.07912137 2.98444383 3.27514732 0.63931883 2.2094107 3.21064386 1.9087665 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 83-43-2 6741 144212335 A A Methylprednisolone OCC(=O)[C@@]4(O)CC[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3C[C@H](C)C1=CC(=O)C=C[C@@]12C Tox21_302018 -NCGC00255806-01 196710845 tox21-ror-cho-viability-p1 set2 4 -5.01508628 -8.91206972 -0.25596818 -5.89727041 -0.45876247 0.12049168 -5.81124347 -7.24959247 -2.72151351 -6.22466197 -0.17384353 -2.69023417 0.40244296 -7.18759348 -11.80344548 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77501-90-7 53672 144211571 A A Fluoroglycofen-ethyl Clc2cc(ccc2Oc1cc(C(=O)OCC(=O)OCC)c(cc1)[N+]([O-])=O)C(F)(F)F Tox21_301254 -NCGC00257347-01 196708368 tox21-ror-cho-viability-p1 set1 4 76.9588215421 10.434648752 -0.934648752 9.5 4.9549173134 0.3531462936 0.3200402014 0.26894235 3.72516321 -3.78511673 -0.9535595 0.95739722 -1.02272344 -5.77887396 -0.71030657 -1.89232641 -3.18030757 0.26312671 4.34066736 -2.46305523 -1.01017965 6.67236857 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-12-8 6054 144213695 A A 2-Phenylethanol OCCc1ccccc1 Tox21_303383 -NCGC00259023-01 196708371 tox21-ror-cho-viability-p1 set2 4 -0.79687034 -2.93866594 -0.4718208 -0.34370193 -1.44459715 -3.48459819 -1.64138059 -0.13154627 -1.66265568 -1.65082245 -2.65096173 -1.41091063 -2.31563038 0.48755596 0.30239515 1.1859999999E-9 2.6519999999E-9 5.929E-9 1.326E-8 2.9649999999E-8 6.629E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008286 0.00001853 0.000041429999999 0.00009265 147-24-0 8980 144208670 A A Diphenhydramine hydrochloride Cl.CN(C)CCOC(c1ccccc1)c2ccccc2 Tox21_201472 -NCGC00259391-01 196708392 tox21-ror-cho-viability-p1 set2 4 27.6395842712 6.3718100839 -0.3718100839 6 4.9549173134 0.7473491267 0.0211150933 -0.76750751 -0.86350964 -0.13806518 -3.64317507 -0.67739597 0.24674933 0.39348547 0.67209728 -1.57502092 0.50506253 0.62447116 -1.71471305 -0.33479896 6.49968567 4.76849085 1.1919999999E-9 2.6659999999E-9 5.9609999999E-9 1.333E-8 2.981E-8 6.6649999999E-8 1.49E-7 3.332E-7 7.451E-7 0.0000016659999999 0.000003726 0.0000083309999999 0.00001863 0.000041649999999 0.000093139999999 112-72-1 8209 144209040 A A 1-Tetradecanol CCCCCCCCCCCCCCO Tox21_201842 -NCGC00259834-01 196708790 tox21-ror-cho-viability-p1 set2 4 3.37228058 -0.2151874 1.12138679 2.35416666 3.64292347 3.30489258 0.72152641 1.25978083 -0.79772688 6.16635368 4.38720591 3.28978242 5.59687165 2.74732931 1.05839286 1.194E-9 2.671E-9 5.972E-9 1.335E-8 2.986E-8 6.677E-8 1.493E-7 3.338E-7 7.465E-7 0.000001669 0.000003732 0.000008346 0.00001866 0.000041729999999 0.00009331 7664-38-2 1004 144209483 A Phosphoric acid O=P(O)(O)O Tox21_202285 -NCGC00259480-01 196708792 tox21-ror-cho-viability-p1 set2 -1.2 21.2275622536 -25.0758014577 -7.2279364239 -32.3037378816 4.9549173134 0.8010162626 0.0077854982 -12.86322409 -9.36659077 -11.54956263 -13.6326224 -8.55494176 -2.68994702 -9.2629679 -3.41226726 -6.08300968 -7.07943653 -8.72567258 -7.21481007 -13.1132624 -38.33722696 -25.97368093 1.159E-9 2.5929999999E-9 5.797E-9 1.2959999999E-8 2.8989999999E-8 6.481E-8 1.449E-7 3.241E-7 7.246E-7 0.00000162 0.000003623 0.000008102 0.00001812 0.00004051 0.000090579999999 58-90-2 6028 144209129 A A 2,3,4,6-Tetrachlorophenol Clc1cc(Cl)c(Cl)c(Cl)c1O Tox21_201931 -NCGC00091902-08 196708794 tox21-ror-cho-viability-p1 set2 4 0.72327356 -0.94332334 -19.61754012 -2.34184283 1.74519572 -1.38009182 -0.64871584 -1.59356867 -2.39026625 -0.87253142 -2.42297281 -2.6300285 -0.74469173 -1.12456998 -8.28822291 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00095042-06 196709209 tox21-ror-cho-viability-p1 set2 4 0.0300883 0.40798553 -0.65929612 0.98644017 0.36208292 1.02147451 -0.70989325 -0.17500282 1.09032429 0.96892013 -0.15741953 2.46533191 2.10692966 4.25885981 3.48177865 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00259753-01 196709219 tox21-ror-cho-viability-p1 set2 4 0.84789548 -0.54518533 -2.32963441 -8.08416879 2.09454241 -2.23312637 1.362633 -0.38753852 -0.11055454 -1.55132527 -0.95263033 -0.15674505 -2.21580242 -3.51256219 1.26668892 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3839999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004128 0.00009229 30560-19-1 1982 144209402 A A Acephate O=C(C)NP(=O)(OC)SC Tox21_202204 -NCGC00258933-01 196709623 tox21-ror-cho-viability-p1 set2 4 2.72711497 1.20714107 2.33848003 0.12369255 1.34499651 -1.26982078 1.05004739 2.03551519 -0.58990675 -1.32696565 0.99223102 2.28409987 0.71122112 0.53435752 1.05700708 1.172E-9 2.621E-9 5.8609999999E-9 1.311E-8 2.931E-8 6.553E-8 1.465E-7 3.276E-7 7.326E-7 0.0000016379999999 0.0000036629999999 0.000008191 0.00001832 0.00004096 0.00009158 112-41-4 8183 144208580 FNS 1-Dodecene CCCCCCCCCCC=C Tox21_201382 -NCGC00259416-01 196706155 tox21-ror-cho-viability-p1 set1 4 -4.81276674 -3.78622198 -3.38338736 -8.74098978 -2.27556696 -2.12269 -5.00702152 -3.20812527 -4.01401964 0 0.94731583 -6.02837286 -0.80841159 -4.84854964 -3.19913616 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.625E-8 1.481E-7 3.3129999999E-7 7.407E-7 0.000001656 0.000003704 0.000008281 0.00001852 0.000041409999999 0.000092589999999 98-57-7 7395 144209065 A A 4-Chlorophenyl methyl sulfone O=S(C)(=O)c1ccc(Cl)cc1 Tox21_201867 -NCGC00163903-03 196705716 tox21-ror-cho-viability-p1 set1 4 0.0204967766 12.368746084 -14.368746084 -2 1.0999999999 0.7519789736 0.0190492127 -12.73085964 -13.20590279 -13.22395507 -10.68922205 -4.44593855 -5.55669199 -4.49694409 0.05782921 -0.11394517 -2.87333919 -1.13789463 -5.96659157 -0.26348989 -7.61320407 -3.96853259 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00259426-01 196705727 tox21-ror-cho-viability-p1 set1 -3 60.261267288 -41.490298996 0 -41.490298996 2.3031167061 0.8255208196 0.0044341835 -7.21945395 7.23052647 -4.40971492 2.56304356 2.14671095 1.32201255 -0.21053555 -2.93333891 1.93643163 -0.83333709 1.18070519 1.01406801 -8.21601927 -8.908305 -31.24191583 1.166E-9 2.6069999999E-9 5.829E-9 1.303E-8 2.9149999999E-8 6.517E-8 1.457E-7 3.259E-7 7.286E-7 0.000001629 0.0000036429999999 0.000008146 0.00001822 0.00004073 0.000091079999999 19666-30-9 29732 144209075 A A Oxadiazon O=C2OC(=NN2c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C Tox21_201877 -NCGC00259147-01 196705735 tox21-ror-cho-viability-p1 set1 4 -6.533672 -5.69095791 -9.49534526 -10.03292878 0.13028702 -2.5864689 -1.88540699 -5.28021024 5.18989988 -10.68989479 2.28361146 -10.05454648 -8.40420897 -11.00748255 -9.78018986 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.324E-8 2.96E-8 6.618E-8 1.4799999999E-7 3.309E-7 7.399E-7 0.0000016539999999 0.0000037 0.000008272 0.0000185 0.00004136 0.000092489999999 2095-03-6 91511 144208796 D Bis[4-(glycidyloxy)phenyl]methane c2cc(OCC1CO1)ccc2Cc4ccc(OCC3CO3)cc4 Tox21_201598 -NCGC00259895-01 196706551 tox21-ror-cho-viability-p1 set1 4 -0.77933284 4.11603574 3.29946137 6.53166639 -1.38322109 -1.86769879 1.47703193 3.8475423 7.28784606 3.32725115 1.39550669 -0.0152427 -0.13363895 2.92148417 2.47014011 1.491E-9 3.334E-9 7.455E-9 1.667E-8 3.7269999999E-8 8.3349999999E-8 1.864E-7 4.167E-7 9.3179999999E-7 0.000002084 0.000004659 0.00001042 0.0000233 0.00005209 0.0001165 29590-42-9 165746 144209544 D Isooctyl acrylate CC(C)CCCCCOC(=O)C=C Tox21_202346 -NCGC00258944-01 196706562 tox21-ror-cho-viability-p1 set1 4 3.08618622 5.97559964 -0.86289478 2.88242356 -0.21092245 3.40082913 -0.18927532 -0.65384651 -13.7929009 12.21929974 1.50365005 1.19670863 1.67915246 0.85936537 2.43894027 1.172E-9 2.621E-9 5.8609999999E-9 1.311E-8 2.931E-8 6.553E-8 1.465E-7 3.277E-7 7.327E-7 0.0000016379999999 0.0000036629999999 0.000008192 0.00001832 0.00004096 0.00009159 3056-17-5 18283 144208591 A A Stavudine CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@@H](CO)O2 Tox21_201393 -NCGC00258950-01 196706563 tox21-ror-cho-viability-p1 set1 4 -2.77624366 4.11151949 -0.10195328 6.87605097 0.57868827 1.39791366 -2.6145421 3.32014877 4.34198731 8.63770824 -0.00041383 2.53130902 2.66745527 1.6882444 0.55419073 1.179E-9 2.6359999999E-9 5.8929999999E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.294E-7 7.367E-7 0.0000016469999999 0.0000036829999999 0.000008236 0.00001842 0.000041179999999 0.00009208 104-66-5 7713 144208597 A A 1,2-Diphenoxyethane C(COc1ccccc1)Oc2ccccc2 Tox21_201399 -NCGC00256963-01 196706964 tox21-ror-cho-viability-p1 set1 4 -1.25074307 1.39309582 -12.3177973 -2.40834826 2.66179543 -0.57883131 -2.21093394 -10.61772904 1.18772376 -11.23224863 -1.97756447 1.98024531 -8.51765461 -1.33781043 2.47682988 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 586-62-9 11463 144213585 F F Terpinolene C/C(C)=C1\CC=C(C)CC1 Tox21_303268 -NCGC00257110-01 196706972 tox21-ror-cho-viability-p1 set1 4 6.31515176 2.65162163 0.28723871 0.57679333 1.17336944 6.26063923 7.29974277 6.15658545 6.10419155 1.04141485 2.24911628 10.22523997 7.77018998 0.00253727 7.19395102 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 554-00-7 11123 144213523 A Ac 2,4-Dichloroaniline Clc1cc(Cl)c(N)cc1 Tox21_303206 -NCGC00257463-01 196706974 tox21-ror-cho-viability-p1 set1 4 54.4826732819 -23.853408292 3 -20.853408292 1.24751 0.768348048 0.0145611092 0.22453769 5.70307416 5.96474634 -1.71969591 0.64076537 0.52999127 2.61367691 4.40972166 7.346911 4.34670466 0.76181647 -0.05851323 -3.34471536 -4.99979 -14.04450691 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1478-61-1 73864 144213946 A A Bisphenol AF Oc1ccc(cc1)C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F Tox21_303641 -NCGC00256933-01 196706977 tox21-ror-cho-viability-p1 set1 4 -9.4932179 -12.92197413 -7.2037405 -1.81164934 -14.513958 -10.25038955 -8.67858598 -2.33310398 -8.17543347 -9.13235816 -8.23700838 -2.25761644 -8.9936886 -17.64569687 -21.15814426 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 933-75-5 13618 144213433 A A 2,3,6-Trichlorophenol Oc1c(Cl)ccc(Cl)c1Cl Tox21_303116 -NCGC00256882-01 196706983 tox21-ror-cho-viability-p1 set1 4 3.19668191 1.98921568 -1.19426146 1.09416633 0.4410617 2.05588531 -0.61494348 1.39636953 3.78275883 1.76980294 -0.62568608 -0.27779574 0.35121184 0.8259293 -1.00383376 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2897-60-1 62467 144212978 F F Diethoxy(methyl)[3-(oxiran-2-ylmethoxy)propyl]silane C[Si](CCCOCC1CO1)(OCC)OCC Tox21_302661 -NCGC00258583-01 196702015 tox21-ror-cho-viability-p1 set1 -2.1 63.5004416718 -81.1645681488 -5.6007541739 -86.7653223227 1.4641 0.8594932743 0.0016632082 -11.9497267 0.27623695 -3.26438254 0.02011806 -0.21879955 -9.16585187 -3.33714303 -15.19570881 -4.51026471 -10.57269213 -12.12047347 -5.94715996 -20.72473404 -22.6156114 -65.73130479 1.218E-9 2.723E-9 6.0889999999E-9 1.3619999999E-8 3.045E-8 6.808E-8 1.522E-7 3.4039999999E-7 7.611E-7 0.000001702 0.000003806 0.00000851 0.00001903 0.00004255 0.00009514 123-30-8 403 144208228 C 4-Aminophenol Nc1ccc(O)cc1 Tox21_201030 -NCGC00254125-01 196719732 tox21-ror-cho-viability-p1 set3 4 5.37424062 -0.24615817 5.95099721 -2.74250628 -5.1383852 12.70114211 -3.45761965 2.3723068 13.12577677 9.42246535 -1.40156846 -8.09813945 -7.7788938 4.33604806 2.64709366 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-18-6 6923 144210331 A A 2-tert-Butylphenol CC(C)(C)c1ccccc1O Tox21_300011 -NCGC00256518-01 196719328 tox21-ror-cho-viability-p1 set2 4 2.70731746 0.40623099 3.51865908 2.04428493 3.61205967 3.99504016 2.61293717 7.95369171 5.58104257 3.16248169 4.8465187 2.42678479 5.14712711 1.6458449 3.45775864 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 315-22-0 9415 144213191 A F Monocrotaline O=C1OCC3=CCN2CC[C@@H](OC(=O)[C@H](C)[C@@](C)(O)[C@@]1(C)O)[C@H]23 Tox21_302874 -NCGC00254227-01 196719737 tox21-ror-cho-viability-p1 set3 4 1.49992506 2.53429802 3.51451178 10.4939221 3.5346376 3.28191172 5.73122297 13.19551074 1.61487456 6.85638541 3.86629053 10.87786533 -7.73718411 10.96151928 -0.85153287 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-48-5 6479 144210478 A F 1,3-Dibromo-5,5-dimethylhydantoin O=C1N(Br)C(=O)N(Br)C1(C)C Tox21_300158 -NCGC00163930-04 196719745 tox21-ror-cho-viability-p1 set3 4 3.71210724 5.04654957 12.07767055 4.65279827 9.83046127 2.1888287 8.18273962 8.83656378 -3.09621954 10.2838096 1.45677626 5.9864645 7.4802913 8.87098732 1.68875666 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00244579-01 196719747 tox21-ror-cho-viability-p1 set3 4 0.0017228934 23.25073044 -26.75073044 -3.5 0.6 0.6627197626 0.0680904422 -14.5151269 -19.3756087 -7.56310714 -5.6377869 -8.0613624 -8.59940621 -5.2863943 -5.34257159 -3.93376813 -5.82813226 0.94269742 -1.06652389 -4.44265345 -7.15096881 -31.98678361 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00254238-01 196719756 tox21-ror-cho-viability-p1 set3 1.4 0.0043277126 19.8905519799 -20.3905519799 -0.5 0.7 0.8079153173 0.0067630269 -12.78238575 -16.99212665 -7.33347552 -2.500682 -7.44830278 -5.6276154 -1.42644456 0.0155184 -2.88926654 -1.28972615 -0.19518465 -0.74797701 -0.55470099 -0.42071844 -0.82422334 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63-05-8 6128 144210896 A A 4-Androstene-3,17-dione O=C2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_300579 -NCGC00254218-01 196720148 tox21-ror-cho-viability-p1 set3 4 0.43869466 5.12397636 5.18669162 4.23654687 -0.04664752 9.02760276 10.44764561 9.24829137 -5.16327684 12.97194368 14.31225912 1.15209425 4.64571618 15.38711759 9.30416947 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-39-5 5280343 144210605 A A Quercetin Oc1ccc(cc1O)C=3Oc2cc(O)cc(O)c2C(=O)C=3O Tox21_300285 -NCGC00253931-01 196720151 tox21-ror-cho-viability-p1 set3 1.4 0.0243365162 22.3976595119 -21.3976595119 1 0.4 0.8583058199 0.0017426441 -14.14333443 -19.91471626 -11.91893202 -7.65095963 -11.65250866 -10.66438174 -3.98363217 -6.22373515 -3.19170887 -3.75096269 0.02416609 0.1082174 -2.31418578 0.31660085 -0.30924517 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47346 9842616 144210552 A C SSR162369 FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC2CC4CCC(C2)N4c3ncccn3 Tox21_300232 -NCGC00091602-02 196720162 tox21-ror-cho-viability-p1 set3 4 -7.02919338 9.61144088 13.50594006 -3.86387047 2.13884892 -5.75757302 -6.27814921 10.9866995 6.07989418 16.37732784 5.23803484 12.39018803 3.67798386 -0.56380081 -3.07043096 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00164626-02 196717252 tox21-ror-cho-viability-p1 set2 4 -6.80196847 -6.87903917 -4.42254536 -6.08723937 -1.65744168 1.60587104 -3.44000964 -3.86062629 -2.21444109 -1.8486467 -0.09328032 0.92891321 0.0524676 1.63853495 -3.49274611 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 145821-59-6 91274 170465153 A Tiagabine hydrochloride Cl.Cc3ccsc3C(=C\CCN1CCC[C@H](C1)C(=O)O)\c2sccc2C Tox21_112245_1 -NCGC00015204-09 196716833 tox21-ror-cho-viability-p1 set2 4 0.38581965 0.37800124 -0.18067002 -0.87615804 8.16748646 6.80731168 3.22907562 5.68764008 3.23178745 5.20366576 5.97250012 6.9112665 8.00690151 4.4973397 4.90235922 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 154-93-8 2578 170464880 A Carmustine O=C(NCCCl)N(CCCl)N=O Tox21_110097_1 -NCGC00274056-01 196717238 tox21-ror-cho-viability-p1 set2 4 -1.5207818 0.48290244 0.28825842 0.36865446 -1.39581479 0.50111109 -0.29563525 5.38742066 -0.99874237 -3.29159679 -5.73073073 0.36154615 -1.9719719 -0.56954291 2.07066337 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 115436-72-1 9862176 170464992 F Risedronate sodium [Na+].[Na+].[O-]P(=O)(O)C(O)(Cc1cccnc1)P([O-])(=O)O Tox21_111791_1 -NCGC00167499-02 196726213 tox21-ror-cho-viability-p1 set3 4 -8.79552858 0 2.32848102 -6.65618392 -3.80985779 1.18869911 1.86259452 3.74418766 -2.6843051 -2.88909377 0.75524653 -7.88650557 -7.62590507 2.25539449 2.71291034 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 93793-83-0 56704 170465941 A Roxatidine acetate hydrochloride Cl.CC(=O)OCC(=O)NCCCOc2cc(CN1CCCCC1)ccc2 Tox21_112500_1 -NCGC00159389-04 196725808 tox21-ror-cho-viability-p1 set3 4 -5.34548627 0.28976368 -8.88850041 -0.68354666 -6.91711487 -2.00286701 -5.81971615 -2.65828768 0.41570445 -8.7366182 -4.9570094 -2.68884712 3.90365138 0.26222533 0.01002351 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104-06-3 9568512 170466436 A Amithiozone O=C(C)Nc1ccc(cc1)\C=N\NC(N)=S Tox21_111625_1 -NCGC00166088-02 196725811 tox21-ror-cho-viability-p1 set3 4 -0.4959677 -6.96242464 6.91661173 -1.00693263 1.16005954 -5.27151825 -3.65902694 -8.34529948 -5.85235171 -9.33970202 -4.1115389 -0.52494448 -1.75388962 0.85243203 0.88984599 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2353-33-5 451668 170465126 A Decitabine NC1=NC(=O)N(C=N1)[C@H]2C[C@H](O)[C@@H](CO)O2 Tox21_112311_1 -NCGC00249927-01 196726212 tox21-ror-cho-viability-p1 set3 4 33.4914596268 -13.866040644 -0.5 -14.366040644 0.8999999999 0.5674547239 0.1231327621 0.88532742 1.34255195 1.31212241 -2.31299938 -4.48966546 3.57084414 0.70183897 -0.76930991 -3.33542458 -1.5819793 -2.05301094 -4.22176885 -1.93918955 -4.01420732 -10.30503387 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 154-82-5 71622 170466023 A A Simetride O=C(COc1ccc(CCC)cc1OC)N2CCN(CC2)C(=O)COc3ccc(CCC)cc3OC Tox21_113703 -NCGC00166121-03 196726217 tox21-ror-cho-viability-p1 set3 4 -1.08280146 0.57856843 -6.18140978 -4.6526786 -5.32379896 0.77011117 -4.09429313 5.19860751 0.02441522 -10.12598974 4.46118585 -3.96872697 1.99329852 2.44228977 5.76144342 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1119-97-7 14250 170466276 A Tetradonium bromide [Br-].C[N+](C)(C)CCCCCCCCCCCCCC Tox21_112327_1 -NCGC00257447-01 196726624 tox21-ror-cho-viability-p1 set3 4 1.34536367 0.14417372 -0.069454 1.36807362 -5.38688494 0.87801344 -4.57109861 1.34820687 -0.97866345 3.38426504 0.47201715 -0.5900274 0.7779194 -3.7275098 -5.83320372 1.1379999999E-9 2.546E-9 5.692E-9 1.2729999999E-8 2.8459999999E-8 6.3639999999E-8 1.423E-7 3.182E-7 7.115E-7 0.0000015909999999 0.0000035579999999 0.000007955 0.000017789999999 0.00003978 0.00008894 50-70-4 5780 144213700 A A D-Glucitol O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)CO Tox21_303388 -NCGC00164127-03 196726637 tox21-ror-cho-viability-p1 set3 -2.1 61.130564862 -101.9222025807 0.3570654139 -101.5651371668 2.9022712143 0.9943238915 0 -0.22191224 -3.13460958 0.43808647 1.39921441 2.00095504 0.77737541 0.29754318 -0.79584882 -1.80160653 3.72848437 0.14687016 0.2319412 -2.73401165 -24.34025423 -77.70086149 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00256191-01 196700943 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -26.2026628239 2 -24.2026628239 4.9549173134 0.7642410774 0.0155745548 0.22814905 5.87358221 -3.04074364 -0.95957868 5.17041134 -0.85593479 3.02758817 3.68135233 3.68489511 6.00833719 -1.51889274 0.4207135 2.4044887 3.39637134 -18.50221902 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1205-64-7 14569 144211932 A A 3-Methyl-N-phenylaniline Cc2cc(Nc1ccccc1)ccc2 Tox21_301615 -NCGC00256027-01 196700932 tox21-ror-cho-viability-p1 set1 4 -1.52011557 -6.70963288 -8.43117105 -1.73853067 -0.86828994 0.25155043 0.78615239 -0.5541924 -4.4632572 -2.87308192 -9.86992795 -1.7269526 -3.15103606 -3.55301428 -8.61761443 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2457-01-4 102821 144211942 A Barium bis(2-ethylhexanoate) [Ba+2].[O-]C(=O)C(CC)CCCC.CCC(CCCC)C([O-])=O Tox21_301625 -NCGC00255538-01 196700939 tox21-ror-cho-viability-p1 set1 4 -4.8931237 0.39340087 0.81763762 -0.77080152 -4.94782277 0.0805504 2.28817154 -7.07348669 0.01043393 0.84684292 0.11148316 0.91937974 0.63455917 1.75282388 -0.23498964 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33089-74-6 36326 144212063 F Fns N'-(2,4-Dimethylphenyl)-N-methylformamidine Cc1ccc(\N=C\NC)c(C)c1 Tox21_301746 -NCGC00255311-01 196700941 tox21-ror-cho-viability-p1 set1 4 0.0048557734 4.9172248319 -2.9172248319 2 4.9549173134 0.338555382 0.3352904151 0.58718129 -6.59768736 1.97265438 -0.46353686 0.90559938 2.01229764 -0.03866746 4.3438884 4.6970688 5.13902357 3.77948489 1.10247183 -0.77085846 1.25107327 0.80371708 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2781-11-5 17722 144212211 D Diethyl((diethanolamino)methyl)phosphonate O=P(CN(CCO)CCO)(OCC)OCC Tox21_301894 -NCGC00256288-01 196700945 tox21-ror-cho-viability-p1 set1 4 0.1087072248 5.196194152 -1.196194152 4 1.6266150999 0.6022291844 0.1116437704 -1.12497401 1.94956854 -3.49682846 -0.42475149 -1.03551208 -0.27354317 2.8387421 3.98777956 1.842115 3.24028769 6.71430248 2.39275305 1.58944782 6.27140325 0.14423897 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 539-88-8 10883 144212609 A A Ethyl levulinate O=C(C)CCC(=O)OCC Tox21_302292 -NCGC00255804-01 196700947 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -39.7626321776 -2.5 -42.2626321776 4.9549173134 0.816912889 0.0054646652 -7.45289043 0.79937999 -0.43444322 -3.87407455 0.17778726 1.9151246 -0.30256078 -9.25696769 0.85424469 1.83128754 -9.93864035 -0.52906746 -5.60024455 -5.23195545 -34.73224776 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5810-11-7 93011 144212301 A A 2-Chloro-N,N-dimethyl-3-oxobutanamide O=C(C)C(Cl)C(=O)N(C)C Tox21_301984 -NCGC00255786-01 196710877 tox21-ror-cho-viability-p1 set2 4 -1.22335172 -4.75108464 -8.4109812 -8.94088264 -4.27392017 -5.431484 -8.76808998 -3.91577796 -2.31963226 -5.71888746 -0.27817385 -0.63035295 -3.65208083 -0.13031623 1.05469871 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 557-30-2 5354753 144212707 A Ac Glyoxime ON=CC=NO Tox21_302390 -NCGC00255890-01 196710473 tox21-ror-cho-viability-p1 set2 4 4.02762989 -0.9135168 -0.00771155 0.90278942 2.14586384 -0.3023898 -1.11855889 0.33570201 -1.05183849 1.1937609 0.54955686 0.4314187 -0.57504779 0.222101 5.67756433 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7789-41-5 24608 144212176 Calcium bromide Br[Ca]Br Tox21_301859 -NCGC00255978-01 196710867 tox21-ror-cho-viability-p1 set2 4 6.39893208 -0.17723113 0.78391986 0.12852432 -0.3335237 -1.76641548 0.31922649 0.06167824 -1.81889481 0.68318991 0.3514962 0.37618681 1.89483932 1.76061277 3.46177013 1.252E-9 2.8E-9 6.261E-9 1.4E-8 3.1309999999E-8 7E-8 1.565E-7 3.5E-7 7.8269999999E-7 0.00000175 0.000003913 0.000008751 0.00001957 0.00004375 0.000097829999999 191217-81-9 166589 144212633 A A Pramipexole dihydrochloride monohydrate Cl.Cl.O.CCCN[C@@H]1Cc2sc(N)nc2CC1 Tox21_302316 -NCGC00255357-01 196710869 tox21-ror-cho-viability-p1 set2 4 1.84195905 2.72117812 1.26829031 4.42019816 1.581187 1.61222043 0.58630497 0.54129615 0.42010873 0.74154437 -0.13269214 0.16388922 0.50190178 1.47959421 -4.24320933 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1214-39-7 62389 144211624 A A N-Benzyladenine N2=CN=C3N=CNC(NCc1ccccc1)=C23 Tox21_301307 -NCGC00255203-01 196710886 tox21-ror-cho-viability-p1 set2 4 0.0013685429 9.4875134 -8.4875134 1 4.9549173134 0.5487623647 0.1401027442 -6.2395945 3.51564951 2.03147675 -0.08679749 1.85537681 1.28073458 0.25484341 -0.46555691 0.52482496 3.28266816 0.05561403 0.11500511 -0.4711874 0.02306303 4.97780402 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3052-50-4 5354456 144211807 A Fc 2-Butenedioic acid (2Z)-, monomethyl ester O=C(O)/C=C\C(=O)OC Tox21_301490 -NCGC00357158-01 196711293 tox21-ror-cho-viability-p1 set2 4 34.3762428541 17.174605992 0.825394008 18 1.331 0.6815403577 0.0470948246 -3.06217166 -1.65493346 6.1690755 0.23920637 -2.66819988 5.39469332 -2.31669227 0.88089629 4.71232825 -0.50184785 1.89398819 4.81281735 4.32659756 10.95826088 14.55038557 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2114-11-6 16454 251919885 A Allyl carbamate NC(=O)OCC=C Tox21_303906 -NCGC00357207-01 196711301 tox21-ror-cho-viability-p1 set2 -1.1 0.4107804129 -77.1314906109 -1.0352105339 -78.1667011448 2.5334283767 0.9892530102 1.3E-9 -1.16832144 -0.0377474 -4.42519322 -0.63982759 0.75610843 0.73548976 -0.77714582 -5.94197196 -6.30357669 -43.64722519 -64.8625534 -84.59599691 -80.70577206 -71.40265762 -77.35716505 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 639-58-7 12540 251919755 A Triphenyltin chloride Cl[Sn](c1ccccc1)(c2ccccc2)c3ccccc3 Tox21_303984 -NCGC00255935-01 196710079 tox21-ror-cho-viability-p1 set2 -2.4 68.5896218971 -30.342846808 -1.5 -31.842846808 2.4729283767 0.9225617291 0.0000880187 -0.37776122 -2.16765348 0.32803523 -0.40789288 -2.39147719 -3.37294676 -1.14976147 0.03509726 -2.35034471 -0.94553583 0.69772209 -2.31462254 -6.49216175 -6.73579673 -23.20237234 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 28768-32-3 91593 144211703 B D 4,4'-Methylenebis(N,N-diglycidylaniline) C1OC1CN(CC2CO2)c6ccc(Cc3ccc(cc3)N(CC4CO4)CC5CO5)cc6 Tox21_301386 -NCGC00259627-01 196709667 tox21-ror-cho-viability-p1 set2 4 0.0137132683 5.8288715399 -3.8288715399 2 3.5117481694 0.5279368104 0.1560788853 -2.02332051 -2.04484839 -8.60739295 0.12628151 0.55351872 4.27911663 -0.17351713 -1.10059012 0.79832689 0.11675253 0.57144358 2.95655718 4.30948349 2.994062 3.36001857 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.00009231 562-10-7 11224 144209276 A A Doxylamine succinate O=C(O)CCC(=O)O.CN(C)CCOC(C)(c1ccccn1)c2ccccc2 Tox21_202078 -NCGC00255532-01 196710069 tox21-ror-cho-viability-p1 set2 4 0.0015355304 10.824173848 -9.824173848 1 4.9549173134 0.6390014458 0.0725580028 -8.18681154 4.26522688 -0.42150868 -0.75658819 1.86838219 2.00966547 -0.79083463 1.95779069 -0.44612107 -0.57577653 0.32520349 0.37091694 -0.64210743 0.44454089 2.89942922 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2445-77-4 62445 144211909 A F 2-Methylbutyl isovalerate CC(CC)COC(=O)CC(C)C Tox21_301592 -NCGC00256028-01 196710074 tox21-ror-cho-viability-p1 set2 4 -3.8063649 -10.32581387 -7.75525264 -6.36416068 -6.24816486 -8.01769509 -0.9544905 -4.97229269 -4.48500982 -7.26107125 -6.52454502 -4.56225248 -5.09976814 -3.31884189 -7.07024364 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23432-62-4 90098 144212123 F A Methyl [3-(trimethoxysilyl)propyl]carbamate CO[Si](CCCNC(=O)OC)(OC)OC Tox21_301806 -NCGC00256183-01 196710480 tox21-ror-cho-viability-p1 set2 4 4.99520613 -0.50946122 0.60323133 -3.40762465 -3.44371186 -0.15265302 -0.22441203 0.05509842 -0.2208754 -4.07910525 0.06184079 0.56778 1.41540283 0.33259557 4.29208989 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-04-6 94932 144211715 A I 4,4'-Propane-2,2-diyldicyclohexanol OC1CCC(CC1)C(C)(C)C2CCC(O)CC2 Tox21_301398 -NCGC00256144-01 196710483 tox21-ror-cho-viability-p1 set2 4 -0.48736242 0.68188274 0.22141806 0.0533331 1.38974989 1.15048459 1.49451247 2.23568733 -0.72850591 2.33414171 0.50895137 2.04136975 -0.96072093 0.87108464 5.0100381 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13932-13-3 61701 144212632 Ac Ac Potassium tetrathionate [K+].[K+].O=S(=O)([O-])SSS([O-])(=O)=O Tox21_302315 -NCGC00259073-01 196708630 tox21-ror-cho-viability-p1 set2 4 1.09241568 -0.63247393 -4.01856494 -2.09741267 -2.51811869 -0.90266626 -0.30815513 -2.22420468 -0.75949372 -0.3996702 3.55817022 -2.18318771 -0.68941343 0.42956322 0.16212573 1.157E-9 2.5879999999E-9 5.786E-9 1.2939999999E-8 2.8929999999E-8 6.4689999999E-8 1.446E-7 3.234E-7 7.2319999999E-7 0.000001617 0.0000036159999999 0.000008086 0.000018079999999 0.00004043 0.00009041 95-65-8 7249 144208721 A A 3,4-Dimethylphenol Cc1cc(O)ccc1C Tox21_201523 -NCGC00256811-01 196708222 tox21-ror-cho-viability-p1 set1 4 2.26145318 2.66439055 3.04784618 0.76443647 0.92723107 1.36792384 4.81358719 2.71993138 8.13197407 0.55138357 -1.40086973 8.92156416 3.20360757 4.96583701 9.12436412 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2445-76-3 88454 144212760 F F Hexyl propanoate O=C(CC)OCCCCCC Tox21_302443 -NCGC00256516-01 196708228 tox21-ror-cho-viability-p1 set1 4 6.91747132 2.41673469 0.74634958 -0.33920178 2.60609621 1.54514933 -0.85865679 5.56355569 8.62300979 0.62065961 2.23945832 8.25362629 2.83389179 2.17278303 -0.66121672 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 509-14-8 10509 144213151 F Tetranitromethane O=[N+]([O-])C([N+]([O-])=O)([N+](=O)[O-])[N+]([O-])=O Tox21_302834 -NCGC00257406-01 196708234 tox21-ror-cho-viability-p1 set1 -2.1 22.2970779995 -70.4471909155 0.518219756 -69.9289711595 1.6435888099 0.9628400578 0.0000016229 -1.3130047 -0.34714755 -0.62936768 -1.01704287 1.91404207 3.22247761 2.87854521 5.06875507 0.27937772 0.66243267 -13.91073868 -2.92411374 -29.21347448 -48.45566427 -64.74904737 1.097E-9 2.4529999999E-9 5.486E-9 1.2269999999E-8 2.7429999999E-8 6.133E-8 1.371E-7 3.0669999999E-7 6.857E-7 0.0000015329999999 0.0000034289999999 0.000007667 0.00001714 0.000038329999999 0.000085709999999 1062243-51-9 25015677 144213826 A A PharmaGSID_48511 CN5CCC(NC(=O)c4ccc(Nc1nc2N(CC(F)(F)C(=O)N(C)c2cn1)C3CCCC3)c(OC)c4)CC5 Tox21_303518 -NCGC00357217-01 196704079 tox21-ror-cho-viability-p1 set1 4 6.56034003 3.32754688 4.95419723 2.23372127 2.253884 1.12551479 1.8460748 4.04661059 0.82135643 0.2569168 0.45214543 1.32969549 7.26730602 2.28875651 7.06290489 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3388-04-3 18819 251919778 F beta-(3,4-Epoxycyclohexyl)ethyltrimethoxysilane CO[Si](CCC1CC2OC2CC1)(OC)OC Tox21_303998 -NCGC00258902-01 196703672 tox21-ror-cho-viability-p1 set1 -1.1 1.5308468874 -55.5871438985 -0.548702891 -56.1358467895 1.826479391 0.9768342768 1.107E-7 0.30658397 -0.83695903 -0.33770771 -0.66573826 0.64796343 -6.65192387 -1.55743244 -0.41102326 -9.62615585 -35.42950088 -44.30429538 -47.95682318 -53.31337724 -54.34853678 -64.83906548 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.000091989999999 70-30-4 3598 144208548 A A Hexachlorophene Clc2c(Cc1c(O)c(Cl)cc(Cl)c1Cl)c(O)c(Cl)cc2Cl Tox21_201350 -NCGC00260127-01 196703675 tox21-ror-cho-viability-p1 set1 4 68.6593799697 -16.0647557999 1 -15.0647557999 4.9549173134 0.9497608358 0.0000089131 0.13047445 1.1819958 0.08565049 0.2783314 0.88111082 1.54033409 2.30778443 -0.03042915 1.36705195 0.63188788 -0.46288513 1.01860851 0.73762949 0.48211781 -12.1372965 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.953E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.000001651 0.0000036909999999 0.000008253 0.000018449999999 0.000041259999999 0.00009227 40372-72-3 162012 144209776 F Fns 4,4,15,15-Tetraethoxy-3,16-dioxa-8,9,10,11-tetrathia-4,15-disilaoctadecane CCO[Si](OCC)(OCC)CCCSSSSCCC[Si](OCC)(OCC)OCC Tox21_202578 -NCGC00260289-01 196703678 tox21-ror-cho-viability-p1 set1 4 -8.37239965 -4.07191417 0.20249859 -8.20336729 -9.89363805 -6.42404378 2.37438205 -1.16727655 -8.2868219 -1.57998726 -0.68912078 -12.08627501 -4.04526809 0.3483741 -0.21467219 3.437E-10 7.686E-10 1.719E-9 3.843E-9 8.593E-9 1.921E-8 4.2959999999E-8 9.607E-8 2.148E-7 4.804E-7 0.000001074 0.000002402 0.000005371 0.000012009999999 0.00002685 127-09-3 517045 144209939 A Sodium acetate [Na+].[O-]C(C)=O Tox21_202741 -NCGC00091657-02 196704083 tox21-ror-cho-viability-p1 set1 4 1.53340385 4.93220947 2.44819669 0.61416952 1.51890022 0.02489387 -0.68232292 -0.15100093 0.43106322 0.82552898 4.38593878 0.26311125 3.64407053 -0.39085047 1.23217154 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00024567-03 196704497 tox21-ror-cho-viability-p1 set1 4 0.29086345 -0.61940272 -4.68587344 -0.5411559 -0.47910944 0.32759578 -0.0803967 -0.48533884 -1.47398166 1.19066887 -6.62210482 -0.8482494 -0.72871068 -0.08861522 0.18832987 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 115-79-7 8288 170465386 A Ambenonium chloride [Cl-].[Cl-].Clc2ccccc2C[N+](CC)(CC)CCNC(=O)C(=O)NCC[N+](Cc1ccccc1Cl)(CC)CC Tox21_112030_1 -NCGC00168342-02 196704502 tox21-ror-cho-viability-p1 set1 4 -0.22152193 0.67387579 0.77824534 -0.09198874 1.10974958 0.00485721 -0.38269544 0.27260264 -0.93613033 0.34933586 -0.13841257 0 -0.38656058 -0.2367052 -4.11355903 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00091468-02 196704919 tox21-ror-cho-viability-p1 set1 4 -0.05827492 -0.55109 0.16340703 0.19472049 3.63568318 2.18403291 3.85485906 -0.03009833 0.21744909 0.21913715 -1.38936012 -0.10138168 -2.81889636 -0.04184077 2.46625994 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00015072-10 196704929 tox21-ror-cho-viability-p1 set1 4 1.6091726 1.40342662 -1.71292662 0.1136627 -3.0771975 -3.05912136 -1.4743945 -0.08618373 1.28020388 -2.1102076 -1.91883348 -1.43213386 0.52073979 -3.04585184 -0.18163063 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 34118-92-8 71417 170466151 A Acecainide hydrochloride Cl.O=C(C)Nc1ccc(cc1)C(=O)NCCN(CC)CC Tox21_111206_1 -NCGC00259969-01 196721793 tox21-ror-cho-viability-p1 set3 4 -13.30886796 -5.08247507 -4.48377621 -4.11571995 -3.89340863 -7.79136505 -4.27553732 -4.66423436 -6.20684077 -3.80498297 -5.26702835 -4.31156325 -6.73174215 -6.39948277 -2.59409945 1.1999999999E-9 2.684E-9 6.001E-9 1.3419999999E-8 3E-8 6.7089999999E-8 1.5E-7 3.355E-7 7.5009999999E-7 0.000001677 0.0000037509999999 0.000008387 0.00001875 0.00004193 0.00009376 84-75-3 6786 144209618 A A Dihexyl phthalate O=C(OCCCCCC)c1ccccc1C(=O)OCCCCCC Tox21_202420 -NCGC00256997-01 196718089 tox21-ror-cho-viability-p1 set2 4 -6.1890133 -1.50255885 0.91122033 1.42842282 -1.76147888 0.13665909 -0.3540099 0.45841164 -2.7815999 0.84639427 2.8321633 -0.93453818 1.80458293 -5.44526037 -3.70189911 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 558-37-2 11210 144213560 Fns 3,3-Dimethyl-1-butene C=CC(C)(C)C Tox21_303243 -NCGC00181290-01 196717676 tox21-ror-cho-viability-p1 set2 4 29.8492948118 -11.1489309039 1 -10.1489309039 4.0949729863 0.7959613149 0.0089680953 -0.96447632 2.80697288 -0.94821513 2.74225023 1.48375307 1.33989441 2.66440065 0.68972667 0.54214347 0.29395511 0.63867299 -0.70387907 0.47072352 -0.90705015 -8.45744242 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1239-29-8 14708 144206325 A A Furazabol C[C@]5(O)CC[C@@H]4[C@]5(C)CC[C@H]1[C@H]4CC[C@H]2Cc3nonc3C[C@]12C Tox21_112772 -NCGC00262954-01 196718068 tox21-ror-cho-viability-p1 set2 4 1.09763165 2.04054942 3.68359009 6.09417247 6.74087655 -0.24694177 0.61627095 -1.40984736 1.63518096 1.53561101 0.90774101 1.11783385 0.51536435 -0.76607229 0.3592186 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 331741-94-7 206044 170466259 A F Muraglitazar COc1ccc(cc1)OC(=O)N(CC(=O)O)Cc2ccc(cc2)OCCc3nc(oc3C)c4ccccc4 Tox21_113946 -NCGC00256991-01 196718088 tox21-ror-cho-viability-p1 set2 4 2.27215019 -3.04651692 -2.28921438 1.70428785 -0.77056137 -2.92289081 -1.63995641 -0.32970781 1.10730396 -0.91329995 0.3674474 -4.57786801 -1.18631857 -4.45562871 0.17914201 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-16-4 7006 144213477 A A 1,2,3-Benzotriazin-4(1H)-one O=C2N=NNc1ccccc12 Tox21_303160 -NCGC00257463-01 196718091 tox21-ror-cho-viability-p1 set2 4 61.130564862 -9.191269612 -1 -10.191269612 3.1319983358 0.6064270212 0.0951999464 -3.9172202 -1.65859322 -1.67781372 0.67526228 -1.76883366 0.37377266 -0.92294708 2.85072718 -2.36204977 -1.01185316 -0.23551345 -0.9917256 0.25979953 -3.30705306 -8.07605801 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1478-61-1 73864 144213946 A A Bisphenol AF Oc1ccc(cc1)C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F Tox21_303641 -NCGC00256460-01 196718498 tox21-ror-cho-viability-p1 set2 4 1.11383602 -0.98708643 2.44879748 1.0314737 0.6040369 3.05297036 2.80617527 -2.08601482 2.42321617 -0.6510596 -1.69564512 1.19762101 1.00121752 1.75945115 -1.70676743 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-02-8 6998 144213246 D Bc Salicylaldehyde O=Cc1ccccc1O Tox21_302929 -NCGC00256401-01 196718506 tox21-ror-cho-viability-p1 set2 4 -2.6067902 -2.26305424 1.38461437 -4.35468393 -0.77261403 -1.98110295 -5.30382928 0.58193303 -2.71594356 -0.92219023 -2.79668846 -2.89658561 -4.64322 -0.15107142 -11.89090375 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 72-56-0 6295 144213200 A A p,p'-Ethyl-DDD ClC(Cl)C(c1ccc(CC)cc1)c2ccc(cc2)CC Tox21_302883 -NCGC00257214-01 196718906 tox21-ror-cho-viability-p1 set2 4 -1.13088824 -1.42021941 -1.99030678 -2.11695996 -0.76227961 -1.7933492 -1.82471774 -0.25507538 -3.47072891 -0.56627396 0.25541604 -1.65052119 -2.8312112 -2.26353561 0.12261928 1.172E-9 2.6199999999E-9 5.858E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 94-81-5 7207 144213655 A A MCPB Clc1cc(C)c(OCCCC(=O)O)cc1 Tox21_303338 -NCGC00255271-01 196718913 tox21-ror-cho-viability-p1 set2 4 0.82027893 2.0194383 0.65956052 -0.39893555 -13.94552146 -6.80655168 -7.44567805 -1.26068998 1.57448335 -0.34717924 1.7202063 -5.35862209 0.00291579 -6.36979838 -7.34324151 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63612-50-0 4493 144211906 A A Nilutamide FC(F)(F)c1cc(ccc1[N+]([O-])=O)N2C(=O)C(C)(C)NC2=O Tox21_301589 -NCGC00257248-01 196718922 tox21-ror-cho-viability-p1 set2 4 38.5707788719 9.8360568639 -2.8360568639 7 0.8999999999 0.3832398789 0.2908781731 1.37823562 -0.59482073 -0.11073004 -1.17876264 -9.86338072 -2.66521177 -3.56604211 -3.46666688 -3.34189478 -3.62981252 -0.31765758 0.30782614 0.7808756 0.29633354 4.86527901 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_48516 23700188 144213844 A A PharmaGSID_48516 [Na+].O=C([N-]S(=O)(=O)/C=C/c1ccccc1)c2ccc(F)cc2Cl Tox21_303538 -NCGC00257620-01 196701786 tox21-ror-cho-viability-p1 set1 -2.2 34.3412869306 -49.118981597 -1.872191323 -50.99117292 1.4641 0.8241950873 0.004572846 6.50786423 4.06189567 1.65275343 -0.34082431 -3.42449297 -3.63482268 -7.73474647 -4.69548549 1.78104203 -11.23908317 -13.88023234 -8.10760721 -6.42468305 -31.2996555 -47.214049 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008241 0.000018429999999 0.00004121 0.00009214 5522-43-0 21694 144207264 A A 1-Nitropyrene [O-][N+](=O)c4ccc1ccc2cccc3ccc4c1c23 Tox21_200066 -NCGC00255177-01 196727898 tox21-ror-cho-viability-p1 set3 4 -9.80055406 0.71742757 -2.97238662 5.88617244 -3.20212116 -4.51274959 10.0361798 8.87875704 -1.32406851 6.4183362 -5.37207207 -9.02777878 -7.34278902 -6.8516418 4.37897427 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22248-79-9 5284462 144212068 A A Z-Tetrachlorvinphos Clc1cc(C(=C\Cl)\OP(=O)(OC)OC)c(Cl)cc1Cl Tox21_301751 -NCGC00255794-01 196728289 tox21-ror-cho-viability-p1 set3 4 0 -0.38282983 0.73687516 -2.34528605 0.15291164 0.17626015 4.79361245 -2.93870154 2.89415364 0.61468393 1.83302995 -4.11464806 -1.16922662 0.17994881 0.78115412 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 143-24-8 8925 144212464 A A 2,5,8,11,14-Pentaoxapentadecane COCCOCCOCCOCCOC Tox21_302147 -NCGC00257820-01 196702202 tox21-ror-cho-viability-p1 set1 4 10.8044264219 13.1430357359 -1.1430357359 12 0.7999999999 0.6749398316 0.0505428046 4.44644371 -0.83100548 -1.05504273 -1.41251838 -4.25007837 -4.70252978 0.3564114 -1.08785959 -0.29233907 -0.22095182 5.35123975 7.41473592 1.49768583 9.9556982 10.73461448 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 100-44-7 7503 144207464 D Benzyl chloride ClCc1ccccc1 Tox21_200266 -NCGC00257634-01 196701787 tox21-ror-cho-viability-p1 set1 -2.2 12.5810282258 -41.9661368864 -1 -42.9661368864 0.6 0.9584255139 0.0000030423 1.0059043 -2.93887883 -1.2604026 -0.61712694 -5.68708348 1.68704268 -8.20274808 -4.19544466 -9.88446412 -11.08454933 -13.52322965 -19.67047233 -28.72031471 -29.73705357 -34.10010864 1.467E-9 3.2809999999E-9 7.337E-9 1.641E-8 3.669E-8 8.203E-8 1.834E-7 4.102E-7 9.172E-7 0.000002051 0.000004586 0.00001025 0.00002293 0.00005127 0.0001146 3520-42-1 62500 144207278 A F C.I. Acid Red 52 [Na+].O=S([O-])(=O)c4cc(ccc4c1c3cc(C)c(cc3[o+]c2cc(N(CC)CC)c(C)cc12)N(CC)CC)S([O-])(=O)=O Tox21_200080 -NCGC00257831-01 196702188 tox21-ror-cho-viability-p1 set1 4 -0.38461461 3.55645128 -0.11882941 -2.52825262 -10.70160092 -4.05969412 0.00535294 -1.1794335 -3.82144965 -3.81749097 -0.86665068 5.31466564 -4.8214818 -3.87008783 -13.24629622 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.00004125 0.000092249999999 1074-12-0 14090 144207475 C Phenylglyoxal O=C(C=O)c1ccccc1 Tox21_200277 -NCGC00091643-08 196702204 tox21-ror-cho-viability-p1 set1 -1.2 13.6854287769 -35.3007664239 -3 -38.3007664239 0.7999999999 0.8651167395 0.0013765655 -9.89048931 2.90341395 -0.61822402 -1.70829052 -11.74341654 -2.22025741 -3.53607641 0.83292463 -4.94974558 -10.550077 -15.46908688 -15.67487787 -21.05147144 -28.94756551 -32.33397202 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00091532-04 196702610 tox21-ror-cho-viability-p1 set1 -2.2 31.0121236216 -43.7059782405 -0.73231691 -44.4382951505 1.372261 0.8941885133 0.0004264704 3.12251261 0.6706233 -0.03453122 1.92428471 -3.65201968 0.52684451 -7.39214355 -2.23330678 3.75621307 -0.23165252 -9.32842809 -8.89299421 -15.27773077 -21.40721451 -43.56695603 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00258050-01 196702612 tox21-ror-cho-viability-p1 set1 4 1.06084153 1.91289881 1.34665077 2.07874008 -0.05627314 0.59036725 0.96107633 3.36250979 8.28108362 1.26511957 0.93818258 0.48457175 -1.61363977 1.83051606 2.60999089 1.183E-9 2.645E-9 5.913E-9 1.322E-8 2.9569999999E-8 6.611E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.0000082639999999 0.00001848 0.00004132 0.0000924 695-53-4 3081 144207694 A A Dimethadione O=C1NC(=O)C(C)(C)O1 Tox21_200496 -NCGC00357142-01 196703013 tox21-ror-cho-viability-p1 set1 4 -1.80782879 1.14988839 4.3213168 3.14886979 0.196434 1.22662944 -0.44039484 3.4965251 2.45381416 4.14702308 -0.3446722 3.12996784 -0.79481635 0.36005009 1.93078367 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-91-2 6993580 251919965 A Diethyl L-tartrate O[C@H]([C@@H](O)C(=O)OCC)C(=O)OCC Tox21_303884 -NCGC00260555-01 196703022 tox21-ror-cho-viability-p1 set1 4 -0.8774282 -1.38522657 -3.5483983 -6.05968826 -2.50947157 -9.60411542 1.08628199 -0.31166499 0.58450394 -7.33353489 -1.83667118 2.32556719 -8.95488177 -9.69543654 0.74079353 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49451 144210208 M M NTP Mix63 CT1 62-EQP Tox21_203010 -NCGC00091657-02 196703030 tox21-ror-cho-viability-p1 set1 4 0.02111288 1.13549329 0.69872422 -0.17771646 -1.30002842 -0.21820585 -2.98884818 -0.16828361 -0.53679619 -0.71069481 0.85999148 -1.45316058 -4.62443334 0.18598773 0.81034245 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00260643-01 196703430 tox21-ror-cho-viability-p1 set1 4 1.20383167 -2.04683747 1.64485508 9.57196579 -1.80736918 0.59327556 2.33674312 2.09676777 0.51297442 1.6194525 1.5819604 7.86419126 0.46945672 9.71784004 9.25308174 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49539 144210296 M M NTP Mix84 ER AR1 18-EQC Tox21_203098 -NCGC00182994-01 196712574 tox21-ror-cho-viability-p1 set2 4 3.20056331 4.37887648 -1.58718129 1.81927641 0.68941122 -1.98440361 -0.79355125 -3.22229725 -4.92673009 -4.39965041 -2.08060518 -3.95122254 -4.0737202 -4.10107952 1.68846749 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 21216-78-4 210301 144206808 A A Anacolin [I-].C[N+]1(CCCCC1)CC2COC(O2)(c3ccccc3)c4ccccc4 Tox21_113257 -NCGC00163735-04 196712156 tox21-ror-cho-viability-p1 set2 -2.4 20.4967766026 -29.51751134 -3 -32.51751134 1.331 0.6659023853 0.0549355346 -0.21918181 -0.62055395 -1.9277744 -8.17093444 -0.92832126 -14.0148333 -2.66967708 -0.34836403 -0.91335198 -0.58514365 -13.66598063 0.0470532 -28.05332748 -18.31801676 -30.43125945 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00260121-01 196712164 tox21-ror-cho-viability-p1 set2 2.4 61.8150341915 32.5 5.5 38 0.8999999999 0.8825824438 0.0007140724 3.91835563 4.08739827 3.48162605 4.61199002 5.16581939 3.61597958 8.01160646 8.85777646 6.231874 8.42399258 10.10400438 10.99675965 13.05824581 14.77664938 28.61331089 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.33E-7 7.446E-7 0.000001665 0.0000037229999999 0.000008324 0.00001861 0.00004162 0.000093069999999 75-59-2 60966 144209770 A Tetramethylammonium hydroxide [OH-].C[N+](C)(C)C Tox21_202572 -NCGC00163735-04 196712565 tox21-ror-cho-viability-p1 set2 4 5.4482673282 -11.914459292 -1 -12.914459292 1.331 0.6527233782 0.0743938392 -2.07090723 -0.12936804 -2.21689636 -0.48157535 1.74113339 -0.91655256 -3.15089989 -3.39588513 -2.69667066 0.69248273 -4.12181653 -14.25812463 -4.96729199 -14.51204941 -6.43807272 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00179649-06 196712976 tox21-ror-cho-viability-p1 set2 4 3.78268982 -0.43447077 1.01970526 -1.04535516 11.31348837 -1.48746845 12.1120045 3.2420866 10.54379402 1.7904615 2.43238245 2.25717717 1.96947856 1.46484822 2.57315104 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-24-8 5755 170464732 A Prednisolone OCC(=O)[C@@]4(O)CC[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_111327_1 -NCGC00015864-07 196712985 tox21-ror-cho-viability-p1 set2 4 -1.78495219 2.6264644 0.18344444 2.57567003 0.47078266 -1.34149204 1.14192268 -1.12698014 0.764933 -1.85709749 1.71939278 3.17295093 -1.75025311 0.52250237 3.2558612 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-05-8 5795 170464937 A Procaine hydrochloride Cl.Nc1ccc(cc1)C(=O)OCCN(CC)CC Tox21_110248_1 -NCGC00090910-03 196713388 tox21-ror-cho-viability-p1 set2 4 -0.99390309 -0.47249532 -2.98795751 -4.44520378 -2.75863476 2.49298608 -2.43868403 -4.32410638 2.44581622 1.21117667 -0.30052698 -8.6195775 -5.91479684 0.03581634 2.24126929 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00163597-04 196713392 tox21-ror-cho-viability-p1 set2 4 -2.05946531 -0.01138857 0.30376896 -2.01865446 -0.86163282 -5.0859419 -2.75615725 -2.93203391 -4.07660688 -4.44439866 -2.59103007 -4.0428798 0.17326393 -0.62849911 -2.32225324 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 35891-70-4 6438394 170466855 Ac Myriocin O[C@@H]([C@H](O)C\C=C\CCCCCCC(=O)CCCCCC)[C@@](N)(CO)C(=O)O Tox21_112062_1 -NCGC00255592-01 196727966 tox21-ror-cho-viability-p1 set3 4 -4.27715523 4.3486472 -0.74109777 0.65731035 -1.05736741 -0.70763479 0.32563369 -1.1771825 -0.16840419 0.71581027 -1.86607741 0.44787955 0.48805313 -2.30360643 -2.56399389 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22936-75-0 31573 144212540 A A Dimethametryn CSc1nc(NCC)nc(NC(C)C(C)C)n1 Tox21_302223 -NCGC00255225-01 196727951 tox21-ror-cho-viability-p1 set3 -1.1 17.2289340586 -91.9554324367 0.507682664 -91.4477497727 2.7202212143 0.9891091486 1.4E-9 0.11436947 1.44143364 0.22359826 -0.21396157 5.16769582 -0.2723139 2.70507866 1.66937269 5.26851672 -1.94113833 -6.32476395 -12.90797624 -47.25240387 -89.65465664 -85.93582737 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58-27-5 4055 144211684 A F Menadione O=C2C=C(C)C(=O)c1ccccc12 Tox21_301367 -NCGC00255187-01 196727959 tox21-ror-cho-viability-p1 set3 4 1.3448913 2.02493334 6.2804577 -2.05720561 -0.29732524 0.57769084 0.89439104 1.11007927 3.04503044 0.8751963 3.93903249 -0.37070799 1.35669235 -3.23844322 1.66235853 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68-22-4 6230 144212744 A A Norethindrone O=C4CC[C@H]3C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@@]1(O)C#C)=C4 Tox21_302427 -NCGC00256066-01 196727964 tox21-ror-cho-viability-p1 set3 4 -26.04647979 -4.20067425 0.32387248 1.09435172 0.96168683 0.07486618 3.95639715 -1.11778317 0.26183355 1.91985469 2.01211445 -3.04413088 -1.62563355 -0.28475626 4.67796155 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 320-72-9 9445 144212013 A F 3,5-Dichlorosalicylic acid Oc1c(cc(Cl)cc1Cl)C(=O)O Tox21_301696 -NCGC00357265-01 196703285 tox21-ror-cho-viability-p1 set1 4 0.04994433 1.25712995 -1.5614058 10.28734354 -1.10311076 -1.05166068 -0.19009515 -0.446858 3.60540774 0.98803267 10.03370856 -0.43076376 6.13968374 6.84970118 9.65516645 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 115-18-4 8257 251919814 A 2-Methyl-3-buten-2-ol C=CC(C)(C)O Tox21_303823 -NCGC00259023-01 196706168 tox21-ror-cho-viability-p1 set1 4 0.0030824896 -11.3385303521 12 0.6614696479 1.0999999999 0.734592817 0.024993009 9.12689946 8.02270507 3.02932543 0.4486908 1.85543597 5.51723615 1.01036314 1.54859168 1.07606847 -1.11544196 -0.16458989 0.37667125 0.8973711 -0.93642316 -0.65788057 1.1859999999E-9 2.6519999999E-9 5.929E-9 1.326E-8 2.9649999999E-8 6.629E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008286 0.00001853 0.000041429999999 0.00009265 147-24-0 8980 144208670 A A Diphenhydramine hydrochloride Cl.CN(C)CCOC(c1ccccc1)c2ccccc2 Tox21_201472 -NCGC00259266-01 196706169 tox21-ror-cho-viability-p1 set1 4 8.60345361 0.91546501 2.99685973 0.4834694 1.88983619 0.85740138 1.31715685 -2.45567752 2.8854034 0 -9.66756822 3.90196756 -1.14097376 1.19325386 2.3033633 1.204E-9 2.693E-9 6.0219999999E-9 1.347E-8 3.011E-8 6.733E-8 1.5049999999E-7 3.366E-7 7.527E-7 0.000001683 0.0000037639999999 0.000008416 0.00001882 0.00004208 0.00009409 68-11-1 1133 144208915 A A Thioglycolic acid O=C(O)CS Tox21_201717 -NCGC00163843-03 196706173 tox21-ror-cho-viability-p1 set1 4 6.2188915098 -8.626401372 1.5 -7.126401372 4.9549173134 0.4920523057 0.2030571297 5.41755674 2.42798372 0.55924245 -8.43866781 5.64334011 1.9377291 1.15475097 1.30781025 0.407365 6.32918528 1.26655412 -5.73978364 -7.48076574 -6.07948585 -0.40040767 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00260136-01 196703277 tox21-ror-cho-viability-p1 set1 4 75.5522415161 -11.046710972 -0.5 -11.546710972 4.9549173134 0.5524341957 0.1364386814 -0.10058018 -3.09257816 -2.57641191 -2.01032415 1.02248945 -4.41600803 -0.03960751 0.67211787 0.08148048 -1.51108829 -1.99737343 1.82622842 0.47027 1.11579955 -8.78892581 1.162E-9 2.599E-9 5.812E-9 1.2999999999E-8 2.9059999999E-8 6.4979999999E-8 1.453E-7 3.249E-7 7.265E-7 0.000001624 0.000003632 0.000008122 0.00001816 0.00004061 0.000090809999999 142-59-6 3032297 144209786 Bc Nabam-sodium [Na+].[Na+].[S-]C(=S)NCCNC(=S)[S-] Tox21_202588 -NCGC00260578-01 196703282 tox21-ror-cho-viability-p1 set1 4 0.69286013 0.42727461 -4.61898871 -6.66084023 -1.63845147 -5.00838228 2.14431974 -0.9726527 1.80646952 -4.74585837 -9.60461494 0.40052722 -6.39890403 -9.46290449 -4.91750691 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49474 144210231 M M NTP Mix55 CT1 3-EQP Tox21_203033 -NCGC00260666-01 196703284 tox21-ror-cho-viability-p1 set1 4 2.69805516 1.60450221 -0.82081143 1.63442139 3.18639707 0.52336268 0.32234178 1.27695456 3.12013713 2.07734297 2.29878835 5.86860383 7.59895969 3.01423678 4.37564581 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49562 144210319 M M NTP Mix30 AR2 7-EQP Tox21_203121 -NCGC00260557-01 196703695 tox21-ror-cho-viability-p1 set1 4 -3.09067299 -4.80451571 1.60051996 0.90562031 -2.53670752 -0.2172852 -0.15293215 -7.73359933 -0.90212711 -13.31976005 -0.28854458 -3.60595644 -3.41927716 -4.98542828 -6.53699247 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49453 144210210 M M NTP Mix65 CT1 62-EQP Tox21_203012 -NCGC00357216-01 196703708 tox21-ror-cho-viability-p1 set1 4 6.34912876 8.96068177 3.97890315 2.08228098 1.19492415 0.57016796 1.25187072 2.08764418 5.25783228 3.52265916 2.65267234 3.78651022 1.65907269 -0.29670006 9.93006357 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24683-00-9 32594 251919890 A 2-Isobutyl-3-methoxypyrazine COc1nccnc1CC(C)C Tox21_303996 -NCGC00357090-01 196704109 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -32.433720696 -4 -36.433720696 0.7999999999 0.4829369683 0.1935958829 1.73291315 -4.3387292 1.19984289 -11.05935561 -2.25139922 -11.78028277 -12.02179714 -8.56632888 0.75545004 -6.9361898 -3.65187847 -9.15404553 -0.14106239 -18.94472117 -27.02810058 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14024-18-1 91759530 251919867 Iron(III) acetylacetonate C\C(=[O+]\[Fe](\[O+]=C(\C)[CH-]C(C)=O)\[O+]=C(\C)[CH-]C(C)=O)[CH-]C(C)=O Tox21_303809 -NCGC00091284-03 196704122 tox21-ror-cho-viability-p1 set1 4 1.7491485 3.52180603 0.25128719 -2.0196316 2.87802042 0.26743068 2.93155762 0.4265199 0.22000395 0.40208148 4.86135705 1.92898861 2.46492362 3.21266207 -0.50187697 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00260191-01 196704125 tox21-ror-cho-viability-p1 set1 4 -4.29567929 -3.08782441 -7.49822277 -3.78306812 -3.44958294 -0.75057756 -0.96930603 -11.22936743 5.13198897 -15.36997445 2.04346823 -6.8982978 1.00141896 -0.4269884 1.95729631 1.187E-9 2.6549999999E-9 5.936E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.3189999999E-7 7.42E-7 0.000001659 0.0000037099999999 0.0000082959999999 0.00001855 0.000041479999999 0.00009276 35935-34-3 11075478 144209841 A A 1-Ethyl-3-methylimidazolium iodide [I-].C[n+]1ccn(CC)c1 Tox21_202643 -NCGC00160622-04 196704537 tox21-ror-cho-viability-p1 set1 4 -2.6732735 -3.78724672 -4.39065731 -2.41475961 -1.79941555 -1.02336623 -4.45797951 -0.46829093 1.38706319 -3.95566009 0.23773754 -3.77616978 -2.20864832 1.47782518 5.48631697 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 119-13-1 92094 144206758 ND D-delta-Tocopherol CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2cc(O)cc(C)c2O1 Tox21_111941_1 -NCGC00091602-02 196716855 tox21-ror-cho-viability-p1 set2 4 10.7381980917 -7.906340972 -1.5 -9.406340972 0.9999999999 0.6711789778 0.0533349646 1.32371386 -4.01933385 -3.30554856 0.48007305 -0.55905372 -4.07469442 -2.50308925 1.48839853 -3.05370898 -1.78677602 -4.38314446 -4.25605769 -6.67621169 -7.48711412 -8.67195081 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00161599-09 196717268 tox21-ror-cho-viability-p1 set2 4 4.53633937 3.44977986 -1.12191682 1.99371265 5.30661684 1.67014797 3.43264842 0.28456435 0.22068336 -2.04329823 1.92850271 3.18429424 3.14333174 0.77413534 -2.28824321 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97322-87-7 5591 170465091 A Troglitazone Cc1c(O)c(C)c(C)c2OC(C)(CCc12)COc4ccc(CC3SC(=O)NC3=O)cc4 Tox21_112119_1 -NCGC00160388-04 196716865 tox21-ror-cho-viability-p1 set2 4 0.51290059 0.68967181 0.45069045 -2.5160607 -1.20361685 1.497918 -0.83226124 -1.40655577 1.33216994 -4.13621743 -4.31922978 -0.09251081 0.27180477 1.16417347 -6.26552396 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67121-76-0 49381 170466413 A Fluperlapine CN1CCN(CC1)C2=Nc4cc(F)ccc4Cc3ccccc23 Tox21_111780_1 -NCGC00016893-04 196716866 tox21-ror-cho-viability-p1 set2 4 0.90840604 1.32131358 3.83050557 4.01035206 7.33877606 6.68946028 5.95860067 8.85657627 0.66539539 1.23472903 -0.37390499 2.81650122 -0.50717141 0.78864639 0.64377233 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60200-06-8 43231 170466229 A Clorsulon Nc1cc(c(cc1S(=O)(N)=O)S(N)(=O)=O)C(/Cl)=C(/Cl)Cl Tox21_110669_1 -NCGC00025286-04 196717273 tox21-ror-cho-viability-p1 set2 4 -1.57981181 0.29428126 4.51969739 1.58321515 -0.28125216 0.41834082 -1.56107689 0.65263596 -1.54179648 2.34308289 0.407895 -0.73562355 0.83642613 -1.86764362 2.7851817 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61129-30-4 6420041 170466366 A Zimeldine dihydrochloride hydrate Cl.Cl.O.Brc1ccc(cc1)C(=C\CN(C)C)\c2cccnc2 Tox21_111289_1 -NCGC00253688-01 196717274 tox21-ror-cho-viability-p1 set2 4 1.10369318 -0.33274816 -5.77452964 0.97664809 -6.68672179 -0.81115025 -0.04627824 1.23074503 1.82427996 1.18788695 0.70277089 1.40852117 -0.18388001 0.86895184 -0.48658694 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1028-33-7 70569 170466365 A A Pentifylline O=C2c1n(C)cnc1N(C)C(=O)N2CCCCCC Tox21_113810 -NCGC00257012-01 196718096 tox21-ror-cho-viability-p1 set2 4 -3.60589908 0.02122259 -1.6818669 0.75187769 -7.52605853 -5.94712568 0.52770189 -2.30210374 -0.41864354 -1.94635437 -0.40848191 0.35212216 0.86604013 0.26989708 -3.55199718 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-07-0 7421 144213504 A A 3-Dimethylaminophenol CN(C)c1cccc(O)c1 Tox21_303187 -NCGC00255407-01 196718094 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -26.012219236 0.5 -25.512219236 3.2974983358 0.8129627205 0.0060290332 2.11705533 0.41111817 -0.66589173 -0.06871413 -0.22256275 2.262921 3.61402693 3.23403651 0.0216257 4.67242723 -0.17647506 -4.14630442 -3.52602975 -3.07964757 -18.34351603 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1987-50-4 16143 144211865 A A 4-Heptylphenol Oc1ccc(CCCCCCC)cc1 Tox21_301548 -NCGC00257420-01 196718101 tox21-ror-cho-viability-p1 set2 4 0.0096885416 7.2728752399 -1.7728752399 5.5 1.78848746 0.5641071152 0.1410135051 -1.8940627 -0.67428252 0.31963655 2.65264154 3.59258911 9.01179514 0.80037541 7.49015068 5.80807602 2.19439496 6.72605204 4.27098448 4.8989795 9.75641275 0.00906145 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-40-5 1752 144213950 A A 4-Nonylphenol Oc1ccc(CCCCCCCCC)cc1 Tox21_303647 -NCGC00257323-01 196718104 tox21-ror-cho-viability-p1 set2 -3 27.3060203028 -42.0499430669 -2.833626981 -44.8835700479 4.9549173134 0.8948921758 0.0007322233 1.58255101 -1.42032673 -4.91631937 -4.60287047 -2.67942288 -6.08331691 -2.86724822 -4.57399073 -5.97646019 -9.07796952 0.26727177 0.88780894 -2.03590151 -46.7537188 -12.97433262 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 118-82-1 8372 144213871 A Ac 4,4'-Methylenebis(2,6-di-t-butylphenol) CC(C)(C)c1cc(cc(c1O)C(C)(C)C)Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C Tox21_303566 -NCGC00256965-01 196718106 tox21-ror-cho-viability-p1 set2 4 3.6237288367 5.838308484 -7.4405789879 -1.6022705039 3.5117481694 0.421993936 0.2525232925 -5.12015937 -4.08954611 -7.43422476 -7.42680617 -8.74640654 -7.56685279 -7.74773522 -2.86262352 -9.8939702 -14.95048249 -2.16184902 -0.08522542 -1.14626206 -3.90221865 -3.06986815 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.000096319999999 123-05-7 31241 144213643 F 2-Ethylhexanal CCC(CCCC)C=O Tox21_303326 -NCGC00257308-01 196718528 tox21-ror-cho-viability-p1 set2 4 1.48942584 0.1990432 1.86586262 0.94380499 -4.31822407 -4.28999398 -2.94343712 -0.57413592 0.11178004 2.4411259 3.08539234 2.32463108 -7.28034657 0.51154817 2.66300707 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 40649-36-3 142482 144213660 A A 4-Propylcyclohexanone CCCC1CCC(=O)CC1 Tox21_303343 -NCGC00257261-01 196718530 tox21-ror-cho-viability-p1 set2 4 0.0053505287 14.40654842 -14.40654842 0 0.3 0.5974054395 0.1001447257 -8.96545735 -8.05395524 -10.33879035 -0.80206379 -7.22625984 -6.5577203 -2.08432432 -2.13276842 -3.96863856 -1.87226089 -4.4513259 0.31808647 -2.87644746 -0.39175605 -0.56759978 1.056E-9 2.3609999999E-9 5.279E-9 1.18E-8 2.6399999999E-8 5.902E-8 1.32E-7 2.9509999999E-7 6.599E-7 0.000001476 0.0000032999999999 0.0000073779999999 0.000016499999999 0.00003689 0.000082489999999 9005-65-6 5284448 144213782 Ac Polysorbate 80 OCCOC1CC(OCCO)C(O1)C(COCCOC(=O)CCCCCCC\C=C\CCCCCCCC)OCCO Tox21_303472 -NCGC00256048-01 196701386 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -60.0316995116 0.488735149 -59.5429643626 4.9549173134 0.9826226197 2.11E-8 0.63294004 0.21915137 -1.63166324 -0.1340439 0.65234727 -1.59787318 -0.34280463 1.269026 -1.0190042 -0.21976663 1.20660301 0.74333961 -0.64479486 0.87730816 -48.84362251 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16969-10-1 4443516 144212023 A A 2-Hydroxy-3-phenoxypropyl prop-2-enoate C=CC(=O)OCC(O)COc1ccccc1 Tox21_301706 -NCGC00255924-01 196700981 tox21-ror-cho-viability-p1 set1 4 6.49567892 -0.69937506 0.91207711 4.33366662 9.24399017 0.98125381 0.4491441 0.15356886 -0.53460363 3.26110017 2.50633507 1.3153722 0.64902062 0.63692477 1.26273554 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004107 0.00009184 134-81-6 8651 144212348 A A 1,2-Diphenylethanedione O=C(C(=O)c1ccccc1)c2ccccc2 Tox21_302031 -NCGC00256301-01 196700982 tox21-ror-cho-viability-p1 set1 4 54.4826732819 9.866383528 -3.866383528 6 1.6258976909 0.3262041297 0.3451748415 0.61042726 -0.4704978 -9.88865294 -6.91575485 -4.78864991 -6.25368645 -0.41716949 -4.16042976 -5.39657375 -1.76409772 -6.59084329 -0.35046376 -3.19610795 -0.46327384 3.38579925 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4273-98-7 77956 144211943 A A 2-(Phenylsulfonyl)aniline Nc1ccccc1S(=O)(=O)c2ccccc2 Tox21_301626 -NCGC00256087-01 196701380 tox21-ror-cho-viability-p1 set1 4 -9.88230488 -3.68942801 -0.74229514 -3.34275701 -8.9161222 2.00403134 1.89330029 -6.38945791 -10.12868198 -1.67993317 -8.40361861 -4.42618226 -5.71437546 -4.36948583 -4.14131179 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27858-32-8 60196424 144212104 F Titanium(4+) bis[(2E)-4-oxohex-2-en-2-olate] dipropan-2-olate CC(C)O[Ti](OC(/C)=C/C(=O)OCC)(OC(C)C)OC(\C)=C\C(=O)OCC Tox21_301787 -NCGC00255745-01 196701388 tox21-ror-cho-viability-p1 set1 4 6.1130564862 -19.176602532 -2 -21.176602532 0.3 0.3316141224 0.3532609574 -6.4626231 -1.53874001 -1.7172047 -15.98050211 -7.28370203 -2.76476699 0.71085643 -7.71461108 -7.65967082 -15.19831475 -6.45802503 -13.35583752 -12.41718446 -15.25944019 -1.95273042 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-05-4 6961 144212347 A Ac Pyromellitic acid OC(=O)c1cc(c(cc1C(=O)O)C(=O)O)C(=O)O Tox21_302030 -NCGC00256222-01 196701391 tox21-ror-cho-viability-p1 set1 4 0.02485992 0.36378578 -3.230674 -3.42002608 -0.15878263 -0.41542391 -3.19708492 1.12687524 -0.40398292 -3.91214045 -7.25168445 1.95378554 2.43784315 0.4286515 -8.61557664 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18127-01-0 64832 144211566 A A 3-(4-tert-Butylphenyl)propanal CC(C)(C)c1ccc(CCC=O)cc1 Tox21_301249 -NCGC00255658-01 196701394 tox21-ror-cho-viability-p1 set1 4 1.29711303 1.19727957 2.17936948 0.73027297 0.48820816 0.63169628 0.52406556 1.02166531 0.44939662 2.12086744 1.25527532 1.44466257 0.55974043 -0.15394805 3.53313505 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-41-5 62334 144211721 A 2-tert-Butylcyclohexyl acetate O=C(C)OC1CCCCC1C(C)(C)C Tox21_301404 -NCGC00255358-01 196701395 tox21-ror-cho-viability-p1 set1 4 1.35331614 -0.08532382 -0.58113616 0.50193781 3.29470492 1.514577 0.18143727 0.01892659 1.59473851 0.84870928 1.23147227 1.13903748 2.16891167 -0.14180909 -1.2406609 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 42588-37-4 6434236 144212325 A F Kinoprene C\C(=C/C(=O)OCC#C)\C=C\CC(C)CCCC(C)C Tox21_302008 -NCGC00258070-01 196701807 tox21-ror-cho-viability-p1 set1 4 -0.63832322 1.95534174 3.21342012 0.88049419 3.86790445 -0.86297513 4.31630966 0.11646776 1.93888902 3.15923788 1.45165262 2.80260064 2.5043822 3.3784146 1.72738444 1.183E-9 2.6459999999E-9 5.916E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.395E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 64-75-5 54704426 144207714 I I Tetracycline hydrochloride Cl.NC(=O)C1=C(O)[C@@H](N(C)C)[C@@H]2C[C@H]4C(=C(O)[C@]2(O)C1=O)C(=O)c3c(O)cccc3[C@@]4(C)O Tox21_200516 -NCGC00258721-01 196702215 tox21-ror-cho-viability-p1 set1 4 53.9290828027 -18.88970724 0.5 -18.38970724 4.9549173134 0.6546473305 0.0615646961 -0.41000998 -1.34353502 -0.06675677 2.72376493 0.19203124 2.1642163 -1.88996125 -1.26787329 0.31856474 -1.6776098 -2.20592758 1.07722259 11.43856792 -2.99546612 -16.9914227 1.1699999999E-9 2.617E-9 5.851E-9 1.3079999999E-8 2.925E-8 6.5409999999E-8 1.463E-7 3.271E-7 7.314E-7 0.000001635 0.000003657 0.000008177 0.00001828 0.00004088 0.00009142 835-11-0 70038 144208367 A A 2,2'-Dihydroxybenzophenone O=C(c1ccccc1O)c2ccccc2O Tox21_201169 -NCGC00254271-01 196699322 tox21-ror-cho-viability-p1 set1 4 0.0019331182 11.940863636 -8.940863636 3 0.2 0.3813519496 0.2949046885 -5.78405303 -1.59420972 0.45120407 -1.70637147 -1.35283436 -0.33285649 -1.8292848 -1.30186762 -0.05312282 -0.60989019 0.39171059 0.68336172 7.1996537 -0.53880597 0.51215421 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-59-8 7943 144210693 A Ac Dimethyl malonate O=C(OC)CC(=O)OC Tox21_300375 -NCGC00164449-04 196698906 tox21-ror-cho-viability-p1 set1 4 -0.67968124 1.17584773 -0.67868104 1.45607333 0.69828181 -0.40296036 -4.78499773 -2.94479582 2.44433444 -3.94546931 0.38540352 -4.39743965 -0.01200698 1.36742398 -5.52871435 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00257881-01 196730052 tox21-ror-cho-viability-p1 set3 4 17.2464564942 -11.776841392 -1.5 -13.276841392 1.0999999999 0.7261438846 0.0277604917 -1.53380112 -4.53280466 1.20645903 -0.18111984 -2.70376237 -4.66245831 1.73965199 2.21101807 -3.76135443 -2.74897439 -3.15917582 -3.53007787 -9.24886619 -9.60952725 -11.48070116 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.00009229 5436-43-1 95170 144207525 A A 2,2'4,4'-Tetrabromodiphenyl ether Brc2cc(Br)ccc2Oc1ccc(Br)cc1Br Tox21_200327 -NCGC00258523-01 196729629 tox21-ror-cho-viability-p1 set3 -2.4 76.5676715067 -39.321201232 -3 -42.321201232 0.8999999999 0.5397481641 0.1437031204 1.35474425 -1.83930847 1.92661746 -1.28141646 -3.60134517 0.8364781 -7.79523905 -2.90261741 0 -14.80115589 -19.15064056 0 -7.47257101 -11.09055975 -31.93433436 1.175E-9 2.628E-9 5.877E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.346E-7 0.000001643 0.000003673 0.0000082129999999 0.000018359999999 0.00004107 0.000091819999999 3322-93-8 18728 144208168 A A 1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane BrC1CCC(CC1Br)C(Br)CBr Tox21_200970 -NCGC00258782-01 196730036 tox21-ror-cho-viability-p1 set3 4 33.0491055259 -22.01413082 0.5 -21.51413082 4.9549173134 0.6594558856 0.0587786078 5.28701729 0.89124725 -1.93669976 7.59723034 5.33160852 1.74068093 1.82815578 1.45316914 -0.92735633 -1.55245084 -4.35752597 -3.06847483 -3.4787423 -0.36861881 -17.92844235 5.834E-10 1.304E-9 2.9169999999E-9 6.522E-9 1.4579999999E-8 3.261E-8 7.292E-8 1.631E-7 3.6459999999E-7 8.153E-7 0.000001823 0.000004076 0.000009115 0.000020379999999 0.000045579999999 54150-69-5 5284385 144208428 A A 2,4-Dimethoxyaniline hydrochloride Cl.Nc1ccc(cc1OC)OC Tox21_201230 -NCGC00257929-01 196730039 tox21-ror-cho-viability-p1 set3 4 76.0206207091 -18.8859124759 -0.5 -19.3859124759 4.9549173134 0.8216688927 0.0049464498 -2.71260981 -1.82127391 1.32386877 -0.41149718 -2.95281675 -2.9298899 1.43878008 -0.36602765 -1.02891405 -1.11653511 -0.83904027 -0.1023191 2.90441113 0.41840405 -15.32159373 1.1679999999E-9 2.6109999999E-9 5.838E-9 1.305E-8 2.919E-8 6.5269999999E-8 1.459E-7 3.2629999999E-7 7.297E-7 0.0000016319999999 0.000003648 0.0000081579999999 0.000018239999999 0.000040789999999 0.000091209999999 92-59-1 7098 144207573 A A N-Ethyl-N-phenyl benzylamine CCN(Cc1ccccc1)c2ccccc2 Tox21_200375 -NCGC00258211-01 196730449 tox21-ror-cho-viability-p1 set3 4 -0.1688645 0 -2.14631074 -1.13778567 -2.39303992 -1.54491495 0.78580469 -25.20289453 -3.59734284 -4.28115872 0 0 -7.66818901 -0.15858463 -4.22141023 1.14E-9 2.5489999999E-9 5.7E-9 1.2749999999E-8 2.85E-8 6.3729999999E-8 1.4249999999E-7 3.1869999999E-7 7.126E-7 0.0000015929999999 0.000003563 0.000007967 0.000017809999999 0.000039829999999 0.000089069999999 79-08-3 6227 144207855 A Bromoacetic acid BrCC(=O)O Tox21_200657 -NCGC00258769-01 196730456 tox21-ror-cho-viability-p1 set3 4 1.5287702 0.48427383 1.74398415 0.2889789 1.5661657 3.95531996 0.77512631 -0.87878234 -0.51721084 -0.78603818 0.94261406 0.67192595 0.26720935 0.17504952 1.95475005 1.187E-9 2.653E-9 5.9329999999E-9 1.327E-8 2.9669999999E-8 6.633E-8 1.4829999999E-7 3.317E-7 7.416E-7 0.0000016579999999 0.000003708 0.000008292 0.00001854 0.00004146 0.000092709999999 874-42-0 13404 144208415 A Ac 2,4-Dichlorobenzaldehyde O=Cc1ccc(Cl)cc1Cl Tox21_201217 -NCGC00258753-01 196730472 tox21-ror-cho-viability-p1 set3 4 0.61652072 -1.32201737 0.64301366 -0.51531894 -1.74835204 -2.02958937 0.89570167 3.25116149 -0.82276393 2.46316914 0.82093768 0.06738103 1.07980696 1.77303046 4.04757065 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.875E-8 6.429E-8 1.438E-7 3.215E-7 7.188E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.00004018 0.000089849999999 108-60-1 7944 144208399 A A Bis(2-chloro-1-methylethyl) ether CC(CCl)OC(C)CCl Tox21_201201 -NCGC00257060-01 196726783 tox21-ror-cho-viability-p1 set3 4 -2.08930014 -2.97319618 0.34491569 1.28840729 0.35703394 0.22499085 -2.80887583 5.47468502 3.39108592 5.20364815 5.43257778 -0.91169233 0.80338037 -1.37318974 -0.25401808 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-70-6 6549 144213354 A A Linalool CC(O)(C=C)CC\C=C(\C)C Tox21_303037 -NCGC00095125-05 196726370 tox21-ror-cho-viability-p1 set3 4 0.0237101377 -3.992795756 3.5 -0.492795756 4.9549173134 0.4793667614 0.2179773652 3.94002355 -0.62354935 7.53267442 0.70431198 5.07070683 -0.43362171 -0.20099619 -2.91066313 -0.28097075 0.43243581 -0.88377801 -0.03185768 -0.35008632 -0.57962699 3.15703762 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 114798-26-4 3961 170465135 A Losartan OCc4c(Cl)nc(CCCC)n4Cc1ccc(cc1)c2ccccc2c3nnnn3 Tox21_111435_1 -NCGC00185747-02 196726379 tox21-ror-cho-viability-p1 set3 4 -8.61839901 -14.48362965 -1.29951866 0.89927138 -3.68165871 -1.95226312 0.37871054 -3.39046327 -6.49595091 -7.4670471 -4.31228596 -2.42051497 -5.12776764 -2.82202302 -2.63536536 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5868-05-3 4476 170465789 A Niceritrol O=C(OCC(COC(=O)c1cccnc1)(COC(=O)c2cccnc2)COC(=O)c3cccnc3)c4cccnc4 Tox21_113126_1 -NCGC00256618-01 196726383 tox21-ror-cho-viability-p1 set3 -1.1 10.8707224818 -108.8900775768 1.7227130808 -107.167364496 1.4641 0.9545380125 0.000004978 15.61849752 9.15396042 0.5341825 -1.91536233 -1.34007927 2.20007565 2.98770481 3.72050739 -11.06515925 -16.83729099 -18.03452991 -25.97815128 -83.51341542 -91.71837191 -99.2290412 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-80-6 8342 144213348 A Ac Dichlone O=C2c1ccccc1C(=O)C(Cl)=C2Cl Tox21_303031 -NCGC00256472-01 196707029 tox21-ror-cho-viability-p1 set1 4 3.30045729 2.99626164 1.74244963 0.27576052 1.9930791 3.14420277 -2.13857359 2.65994794 4.38153227 4.16707875 3.57222012 -2.12170571 2.79227637 2.87551664 4.13461409 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 134-32-7 8640 144213122 A C 1-Naphthylamine Nc2cccc1ccccc12 Tox21_302805 -NCGC00258865-01 196706207 tox21-ror-cho-viability-p1 set1 4 -11.45580255 -5.97433293 -10.3403986 -16.61110824 -0.1596383 -4.57460131 -4.69024244 -7.41489253 0.37833886 -13.86259812 -8.89014874 -7.39261879 -1.90980076 0.52766834 -1.7506671 1.197E-9 2.677E-9 5.986E-9 1.338E-8 2.993E-8 6.6919999999E-8 1.496E-7 3.346E-7 7.482E-7 0.000001673 0.000003741 0.000008366 0.00001871 0.00004183 0.00009353 98-87-3 7411 144208511 A D Benzal chloride ClC(Cl)c1ccccc1 Tox21_201313 -NCGC00259653-01 196706209 tox21-ror-cho-viability-p1 set1 4 5.50375533 1.70113476 -0.20527703 1.72903691 -0.14153191 7.30096457 -1.59236516 -8.45427973 -12.31353503 4.45689202 0.12999145 3.39341735 0.8888498 1.47945294 0.5584066 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9569999999E-8 6.613E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003697 0.000008266 0.00001848 0.00004133 0.000092409999999 24800-44-0 22833317 144209302 I A Tripropylene glycol OC(OC(C)COC(O)CC)CC Tox21_202104 -NCGC00257470-01 196707027 tox21-ror-cho-viability-p1 set1 4 0.49352174 2.09995372 0.57734056 0.51431528 1.48200809 3.8467861 -0.60384641 1.42936714 -0.60298299 0.76074836 -0.47639858 5.41948904 -4.62715215 4.37315481 4.40347666 2.2419999999E-10 5.012E-10 1.121E-9 2.506E-9 5.6039999999E-9 1.2529999999E-8 2.802E-8 6.265E-8 1.401E-7 3.133E-7 7.005E-7 0.000001566 0.0000035019999999 0.0000078319999999 0.00001751 2497-21-4 17244 144213752 Fns 4-Hexen-3-one CCC(=O)C=CC Tox21_303442 -NCGC00164449-04 196707041 tox21-ror-cho-viability-p1 set1 4 -8.23677252 -13.17805295 -1.69490309 -0.79875307 -0.63771605 -0.43576501 -10.40355852 -6.46759771 2.72008803 -9.34441036 -1.44198935 -0.13443993 -0.5117828 -9.40445264 -0.96898491 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00256692-01 196707442 tox21-ror-cho-viability-p1 set1 4 -10.52932506 3.34358465 -15.58668788 -8.36518449 -18.17317197 -7.00157516 -15.17863957 -18.38329608 -11.17247359 -19.02901488 -22.79493306 -2.11130704 -10.9009542 -11.93892073 -18.89392241 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2040-10-0 74879 144212956 A Bc 4'-tert-Butyl-2',6'-dimethylacetophenone Cc1cc(cc(C)c1C(=O)C)C(C)(C)C Tox21_302639 -NCGC00256514-01 196707848 tox21-ror-cho-viability-p1 set1 4 -3.21374073 6.07673072 2.29979932 3.41131317 4.06753135 0.67694142 -0.80201344 2.91217576 0.17569636 1.1734127 2.15304654 -0.97162085 4.8511601 4.87036501 -2.23552863 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 134-29-2 8638 144213124 A C 2-Methoxyaniline hydrochloride Cl.Nc1ccccc1OC Tox21_302807 -NCGC00091351-03 196707855 tox21-ror-cho-viability-p1 set1 4 -11.72515059 -10.26937725 -6.67232475 -8.38978226 -11.99956938 -1.71381593 -11.76490213 -11.00266391 -18.36750133 -17.97031301 -9.50776489 -9.29671936 -14.26276691 -13.95476164 -10.67085759 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00256469-01 196707856 tox21-ror-cho-viability-p1 set1 4 0.11595089 0.1809509 0.28062994 0.17289501 1.16502926 -0.3723686 1.4148922 4.18906774 1.46447612 1.4706727 -0.12294276 -0.98170135 2.80911182 -0.01703403 6.06362216 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 520-45-6 122903 144213081 A Bc Dehydroacetic acid O=C(C)C1C(=O)C=C(C)OC1=O Tox21_302764 -NCGC00090827-04 196708310 tox21-ror-cho-viability-p1 set1 4 0.0656618 -4.68964525 -4.53187275 0.03516153 1.40352004 -0.26445451 -4.4562254 -5.60444594 -0.68812846 1.06357774 0.14849391 -0.41889025 0.53723995 0.20485527 1.81049444 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00257407-01 196707897 tox21-ror-cho-viability-p1 set1 4 0.49055973 1.2016497 3.19746031 0.91424791 1.00051716 4.8512051 0.49139381 0.72728416 0.70074964 0.5888263 0.048903 6.96080713 -0.54953942 4.8441647 7.17914656 1.121E-9 2.506E-9 5.6039999999E-9 1.2529999999E-8 2.802E-8 6.265E-8 1.401E-7 3.133E-7 7.005E-7 0.000001566 0.0000035019999999 0.000007831 0.00001751 0.00003916 0.00008756 13674-84-5 26176 144213839 A A Tris(2-chloroisopropyl)phosphate ClCC(C)OP(=O)(OC(C)CCl)OC(C)CCl Tox21_303533 -NCGC00256789-01 196707899 tox21-ror-cho-viability-p1 set1 4 -3.72961032 5.56941423 2.37311458 0.35060607 3.52508203 -0.88001701 2.50156952 3.84857546 6.98572911 1.64146899 3.2217446 -0.43172155 4.96290062 0.29550655 3.37505933 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68917-18-0 144212987 M M Cornmint oil Tox21_302670 -NCGC00090942-03 196708302 tox21-ror-cho-viability-p1 set1 -2.1 61.130564862 -99.0891089163 -1.332358388 -100.4214673043 2.5884283767 0.9822724583 2.36E-8 -0.43837065 -0.07690251 -0.4632286 -8.63826071 -1.60326405 1.63047461 -1.65922154 2.24671471 -2.74352961 -2.49324614 -0.68136302 0.02125261 -8.39127892 -25.58354728 -76.07686917 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00259414-01 196708708 tox21-ror-cho-viability-p1 set2 4 0.82213129 1.53092246 -1.37478195 -1.71937912 -2.95110172 -0.74280117 0.09327581 -2.26969548 -3.06345724 1.44449826 -0.93338335 1.20898397 -1.63455847 -2.76207252 -2.84237238 1.197E-9 2.676E-9 5.983E-9 1.338E-8 2.9909999999E-8 6.689E-8 1.496E-7 3.345E-7 7.479E-7 0.0000016719999999 0.0000037389999999 0.000008361 0.000018699999999 0.00004181 0.00009348 638-38-0 12525 144209063 FC Manganese(II) acetate [Mn+2].[O-]C(C)=O.[O-]C(C)=O Tox21_201865 -NCGC00257433-01 196719381 tox21-ror-cho-viability-p1 set2 4 12.1971512362 -20.945517968 3.5 -17.445517968 2.2526478767 0.8713354623 0.0011039436 2.52485373 1.90038952 0.21981966 5.42366477 0.71523932 6.16337648 -0.16446385 7.75931348 3.64715051 6.09031451 4.60742737 -1.83955907 -11.40959416 -20.78793164 -12.7477696 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135-57-9 67271 144213776 A A 2,2'-Dibenzoylaminodiphenyl disulfide O=C(Nc3ccccc3SSc2ccccc2NC(=O)c1ccccc1)c4ccccc4 Tox21_303466 -NCGC00257224-01 196719377 tox21-ror-cho-viability-p1 set2 4 -1.51357073 -0.86139954 -2.54711732 0.61464329 -1.66062633 0.92254336 -1.14030195 -0.97446476 -0.83414666 5.29673967 1.2154742 0.09158791 -0.56500274 -1.25856875 -1.85062447 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 541-02-6 10913 144213487 Ac Fns Decamethylcyclopentasiloxane C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 Tox21_303170 -NCGC00257240-01 196719383 tox21-ror-cho-viability-p1 set2 -1.1 15.3553036427 -79.2237732396 -1.236804878 -80.4605781176 1.8851180601 0.9724579736 2.983E-7 -6.21937668 -3.21750221 -1.18711136 -0.82337338 2.70243968 0.51815984 -6.4749955 -2.74202623 -4.11850483 3.1554896 1.83982521 -25.16701999 -47.78578333 -74.21255918 -71.02614813 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 1192-52-5 14503 144213717 F 4,5-Dichloro-3H-1,2-dithiol-3-one O=C1SSC(Cl)=C1Cl Tox21_303406 -NCGC00256707-01 196719392 tox21-ror-cho-viability-p1 set2 4 30.6378586933 10.206128048 -5.206128048 5 0.7999999999 0.4558418499 0.2210834068 -6.96150681 -2.7242303 -6.27570134 -4.45154895 -3.02436426 -5.41630149 -5.7772671 -8.0397701 -1.7266247 -9.33844004 -1.36907744 1.22705702 -4.3935607 -0.15269091 2.83372534 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14952-06-8 5368076 144212899 A F Methyl (2E)-non-2-enoate O=C(\C=C\CCCCCC)OC Tox21_302582 -NCGC00254792-01 196719784 tox21-ror-cho-viability-p1 set3 4 0.0043277126 16.8354471599 -2.8354471599 14 4.9549173134 0.4094997718 0.2790300335 -0.58585043 -4.0295393 11.2304689 15.73094796 22.15039118 23.25319275 20.11145182 13.00300106 9.7798827 14.90109301 22.79684729 7.8292325 -0.17851119 4.08907146 1.75104471 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131-70-4 8575 144211205 A A Monobutyl phthalate O=C(O)c1ccccc1C(=O)OCCCC Tox21_300888 -NCGC00253964-01 196719795 tox21-ror-cho-viability-p1 set3 4 -3.66700103 -8.34924218 -1.4235058 1.99450183 1.8943928 -0.06664007 -4.30140379 -4.5583705 -4.97417567 -28.09542872 -1.57380089 -6.21877934 2.42712063 -3.79912592 -10.46335661 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1119-40-0 14242 144210435 A A Dimethyl glutarate O=C(CCCC(=O)OC)OC Tox21_300115 -NCGC00262955-01 196716893 tox21-ror-cho-viability-p1 set2 4 0.2371013766 -6.5836053321 7.5 0.9163946679 4.9549173134 0.4706721952 0.2058832078 0.80439991 2.18248499 7.14241323 8.42394798 10.98274684 12.02996815 9.54153087 8.85019429 -0.10449682 -1.31967111 0.10447482 -1.15756559 2.32209528 6.49635019 1.79949651 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 485-89-2 10239 170466564 A F Oxycinchophen O=C(O)c1c3ccccc3nc(c1O)c2ccccc2 Tox21_113947 -NCGC00258472-01 196716474 tox21-ror-cho-viability-p1 set2 4 0.25995655 -0.83441197 -0.7553569 -6.03283201 -0.23479636 1.24300192 0.33370145 1.10707164 7.12330497 -1.18777058 0.29939928 -0.81037633 1.91679951 2.26127624 0.04127525 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.593E-8 1.474E-7 3.297E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009214 328-50-7 51 144208116 A Fc alpha-Ketoglutaric acid OC(=O)C(=O)CCC(=O)O Tox21_200918 -NCGC00016271-05 196716887 tox21-ror-cho-viability-p1 set2 4 0.5955717307 8.936951164 -6.936951164 2 2.2481167061 0.6785593692 0.0486348311 -3.25803591 -4.93824574 -10.22189277 -4.60050701 -6.49561172 -12.86412597 -2.68689106 -10.07114493 -3.05547626 -1.81078845 0.92444865 4.202431 1.54583233 2.0758722 0.56908769 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-97-2 6048 170465219 Z Tolazoline hydrochloride Cl.c2cc(CC1=NCCN1)ccc2 Tox21_110339_1 -NCGC00016697-04 196716891 tox21-ror-cho-viability-p1 set2 4 4.43398791 3.76785909 -0.28142056 2.947089 1.68823203 7.43438228 5.09256811 4.29971805 1.34677716 0.65678915 -0.6643863 -0.25737492 -1.53449744 -1.07883007 -0.74087135 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13171-25-0 83201 170465797 A Trimetazidine dihydrochloride Cl.Cl.COc2ccc(CN1CCNCC1)c(OC)c2OC Tox21_110568_1 -NCGC00015335-17 196717310 tox21-ror-cho-viability-p1 set2 4 1.61668886 0.88160044 2.29498254 1.57001175 1.74187287 3.74474486 7.15594145 5.97565444 2.45319473 1.30509149 3.93749052 1.56840254 -0.32128795 0.95529602 1.11085698 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-73-1 3100 170466857 A Diphenhydramine hydrochloride CN(C)CCOC(c1ccccc1)c2ccccc2 Tox21_110127_1 -NCGC00016362-05 196717706 tox21-ror-cho-viability-p1 set2 4 -4.66430004 -3.06093079 0.00638391 -0.62719803 -5.37940432 -6.24109696 -0.43632012 1.04207315 -2.25035356 -2.06109057 -1.55729549 0.66954234 -1.69779532 -1.98431855 -2.38498511 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104-31-4 7699 170465391 A Benzonatate O=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c1ccc(NCCCC)cc1 Tox21_110398_1 -NCGC00258539-01 196703474 tox21-ror-cho-viability-p1 set1 4 69.2877332643 -16.3991975599 0 -16.3991975599 4.9549173134 0.7195608361 0.0303111463 -2.64210722 -0.32627542 1.64080954 0.1761718 0.06623434 -0.09837628 -1.98889624 -2.99778296 -2.27932786 -0.29091442 5.58960971 0.43690354 -0.13486228 0.19893127 -13.2493313 1.19E-9 2.661E-9 5.95E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003719 0.000008315 0.00001859 0.00004158 0.00009297 117-10-2 2950 144208184 A A Danthron Oc3cccc2C(=O)c1cccc(O)c1C(=O)c23 Tox21_200986 -NCGC00091602-02 196703456 tox21-ror-cho-viability-p1 set1 4 0.13455872 -1.02489787 3.76038744 9.6907543 2.69879133 0.41912112 2.79911049 2.05818939 1.76055399 -1.47900751 9.99349844 6.01744262 -1.125615 -2.91567564 0.15647713 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00356953-01 196703459 tox21-ror-cho-viability-p1 set1 -2.2 4.6090320393 -47.8261398792 2.3779884144 -45.4481514648 0.7999999999 0.9143325496 0.0001470739 -0.99330143 2.17270043 6.37027023 3.34972076 0.79323419 0.8726634 1.72093548 4.59717089 0.19613215 -12.32996383 -0.51847213 -15.00319692 -25.60716584 -25.52071844 -36.06996148 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 147526-32-7 60196288 251919808 Ac Pitavastatin calcium [Ca+2].[O-]C(=O)C[C@H](O)C[C@H](O)/C=C/c3c(c1ccc(F)cc1)c4ccccc4nc3C2CC2.[O-]C(=O)C[C@H](O)CC(O)/C=C/c1c(c3ccccc3nc1C2CC2)c4ccc(F)cc4 Tox21_303926 -NCGC00260096-01 196703460 tox21-ror-cho-viability-p1 set1 4 5.5761505612 -7.417432988 -0.5 -7.917432988 4.9549173134 0.7138347159 0.0328050803 -1.65136372 0.79074081 -0.1683676 -0.21530628 -0.82248636 0.13648746 1.66878573 -1.49159848 -1.27310724 -3.83079252 -0.51879868 0.7855612 -9.51452749 -4.35795673 -9.01729485 5.584E-10 1.249E-9 2.792E-9 6.243E-9 1.3959999999E-8 3.122E-8 6.98E-8 1.5609999999E-7 3.4899999999E-7 7.804E-7 0.000001745 0.000003902 0.0000087249999999 0.00001951 0.00004363 500-62-9 5281575 144209745 I I Yangonin COC=2C=C(/C=C/c1ccc(OC)cc1)OC(=O)C=2 Tox21_202547 -NCGC00255996-01 196700172 tox21-ror-cho-viability-p1 set1 4 10.8707224818 7.2581319039 -1.7581319039 5.5 2.7202212143 0.7754545574 0.0131174139 -1.56831227 0.50223202 -3.2317221 -1.21203541 -0.11150226 -2.35113875 -1.142902 -2.80579971 -0.12485186 -1.11280212 -5.21510992 1.24741113 3.68983402 5.38643795 5.75810896 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5138-18-1 21220 144211916 A Ac Sulfosuccinic acid OC(=O)CC(C(=O)O)S(=O)(=O)O Tox21_301599 -NCGC00254293-01 196699751 tox21-ror-cho-viability-p1 set1 -2.2 61.130564862 -46.5101325846 -2.2628586229 -48.7729912075 3.9294729863 0.9406324638 0.0000213954 -3.04968822 1.5126838 -5.65855813 0.11473121 -2.8290848 -3.41489433 -1.75195622 -7.73236688 0.19198991 -3.04689733 0.21448346 -5.65436966 -1.76805245 -10.77316844 -41.11590243 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55285-14-8 41384 144210791 A Fc Carbosulfan CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12 Tox21_300473 -NCGC00256208-01 196700159 tox21-ror-cho-viability-p1 set1 4 0.94901059 2.81417872 1.60746603 -0.94084754 0.36153671 3.25931359 0.85985496 2.07786293 -1.57663099 4.2610952 1.42523812 0.96232858 1.05151148 0.53852828 3.71817025 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1728-46-7 102681 144212598 A Ac 2-tert-Butylcyclohexanone O=C1CCCCC1C(C)(C)C Tox21_302281 -NCGC00090874-04 196700169 tox21-ror-cho-viability-p1 set1 4 19.5673271669 -22.4614100761 -6.0404614599 -28.501871536 0.4 0.6473549799 0.0777442838 -6.14198255 -4.20038455 -4.33932801 -6.10610621 -8.6588582 -12.51885918 -14.42168533 -10.61654386 -7.22177937 -11.61477413 -13.46126776 -9.29570938 -18.5129305 -22.91822628 -5.57363062 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00256086-01 196700568 tox21-ror-cho-viability-p1 set1 4 -2.40423969 -6.43090433 2.75276618 0.30957477 -2.30107051 -7.27131842 0.13438768 -0.04920445 3.45685476 -4.26806251 -4.49746134 -2.15563728 -3.99565011 2.95918358 2.66512428 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 491-35-0 10285 144212146 A Ac Lepidine Cc1ccnc2ccccc12 Tox21_301829 -NCGC00256004-01 196700574 tox21-ror-cho-viability-p1 set1 4 -3.14071976 0.54293059 -3.92332445 -2.21842346 0.0444372 0.24793066 0.53442526 -2.42197761 -4.31773207 0.15986104 -3.24196352 -0.1569626 2.65147319 4.4483289 1.13941864 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 36768-62-4 37524 144212449 A Ac 2,2,6,6-Tetramethylpiperidin-4-amine NC1CC(C)(C)NC(C)(C)C1 Tox21_302132 -NCGC00255526-01 196700581 tox21-ror-cho-viability-p1 set1 -2.4 30.6378586933 -31.2202972239 2 -29.2202972239 0.7999999999 0.8547087047 0.0019500153 4.70604663 3.16644625 5.64830565 0.38770002 3.41345531 -6.38566624 3.69583662 1.77349912 0.31908984 -0.01106398 -6.16507573 -4.51351334 -9.63987382 -13.02612078 -22.68358102 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66575-29-9 47936 144212716 A A Forskolin CC(=O)O[C@H]2[C@@H](O)[C@@H]1[C@](C)([C@@H](O)CCC1(C)C)[C@@]3(O)C(=O)C[C@](C)(C=C)O[C@]23C Tox21_302399 -NCGC00256128-01 196700988 tox21-ror-cho-viability-p1 set1 4 -0.7484938 1.81672425 -0.17993839 0.965863 0.74019951 -7.97013306 -0.45784769 -0.6757738 1.82020052 -0.6423688 0.82808305 1.31158541 -0.73306274 -6.8460918 1.51410349 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60875-16-3 109029 144212133 A D 4-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid O=C(O)c1ccc(cc1)N2N=C(C)CC2=O Tox21_301816 -NCGC00255308-01 196728034 tox21-ror-cho-viability-p1 set3 4 -0.06184147 0.8132978 4.07156002 -1.09303105 -3.69722923 4.64893937 4.55807916 -4.17137454 0.60912427 4.0507153 4.07695422 -3.33208938 4.92683481 8.05651102 2.31292925 8.73E-11 1.9519999999E-10 4.3649999999E-10 9.76E-10 2.1819999999E-9 4.88E-9 1.091E-8 2.44E-8 5.4559999999E-8 1.2199999999E-7 2.7279999999E-7 6.1E-7 0.000001364 0.0000030499999999 0.00000682 9016-00-6 24771 144212754 FNS Polydimethylsiloxane C[Si](C)=O Tox21_302437 -NCGC00257231-01 196727626 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -47.8245594279 0.1718580159 -47.652701412 4.9549173134 0.7201146523 0.0296539344 12.10525906 0.55847304 1.0720788 -4.17692991 -1.89034381 -1.59466655 -7.56982638 -3.78690464 -3.51037978 -5.51829327 -4.24822255 14.54089449 4.1728224 -0.74224952 -38.74052535 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 111-30-8 3485 144213612 F Glutaraldehyde O=CCCCC=O Tox21_303295 -NCGC00255621-01 196728029 tox21-ror-cho-viability-p1 set3 4 1.48634498 -1.91648903 1.01157912 -1.28848603 -5.46995231 -3.32264511 5.82891635 -12.31495321 -4.67249787 -12.70136643 -4.08725038 11.03134678 3.19189739 0.08030684 -6.92209289 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 84-54-8 6773 144212361 A A 2-Methylanthraquinone Cc2ccc3C(=O)c1ccccc1C(=O)c3c2 Tox21_302044 -NCGC00256064-01 196728033 tox21-ror-cho-viability-p1 set3 4 0 0.30884156 0.3286033 4.52706776 4.99512991 4.97689945 5.43359287 3.29980395 6.14100926 6.27579877 4.33083798 -0.00871707 1.76978641 -3.65712981 4.49641363 1.167E-9 2.609E-9 5.8339999999E-9 1.304E-8 2.917E-8 6.522E-8 1.458E-7 3.261E-7 7.2919999999E-7 0.000001631 0.000003646 0.000008153 0.00001823 0.000040759999999 0.00009115 81025-04-9 3067270 144212600 D-Lactitol monohydrate O.OC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO Tox21_302283 -NCGC00256294-01 196728042 tox21-ror-cho-viability-p1 set3 4 0.5689191 -5.50279126 -2.92938658 -2.10986291 -4.56356231 -4.69409163 2.41791462 2.23850452 -9.95082122 -3.69480122 -15.57622213 -8.0715488 2.28530111 -3.81716076 -16.8190772 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3734-67-6 6507024 144211842 Ac C.I. Acid Red 1 [Na+].[Na+].[O-]S(=O)(=O)c3cc2cc(c(\N=N/c1ccccc1)c(O)c2c(c3)NC(C)=O)S([O-])(=O)=O Tox21_301525 -NCGC00255508-01 196728044 tox21-ror-cho-viability-p1 set3 -3 76.4894813809 -105.170110505 1.146419753 -104.023690752 4.9549173134 0.7888659714 0.0099246631 -0.33616736 -4.79273054 1.61303254 -6.10753845 0.72931511 -3.27583636 0.22408574 -3.11233856 0.31770466 -5.77179336 -2.85220904 -6.50533981 21.32915974 27.95556635 -86.68640896 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 25155-18-4 14842 144211763 A A Methylbenzethonium chloride [Cl-].CC(C)(C)CC(C)(C)c2ccc(OCCOCC[N+](C)(C)Cc1ccccc1)cc2C Tox21_301446 -NCGC00255951-01 196728045 tox21-ror-cho-viability-p1 set3 4 21.6899429044 -17.812696704 12.5 -5.312696704 2.6384283767 0.521780551 0.1591109951 8.14486536 -0.62362649 12.27875966 7.73533827 8.32022517 13.58459559 19.52174881 15.37999227 22.77020422 15.92361298 12.28521747 11.79301841 4.71214501 -0.52095904 -6.09391392 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81-64-1 6688 144212358 A Ac 1,4-Dihydroxyanthracene-9,10-dione O=C2c1ccccc1C(=O)c3c2c(O)ccc3O Tox21_302041 -NCGC00256271-01 196728450 tox21-ror-cho-viability-p1 set3 1.4 0.1535530364 30.3139205839 -5.8139205839 24.5 0.4 0.9048859765 0.0002509596 2.72441609 -4.84493382 -3.84277798 4.89278453 6.15151901 7.81269856 9.96602564 10.55333474 14.02376385 15.6255631 15.89964171 22.39322753 19.62893965 25.36846486 19.15548767 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1124-05-6 70755 144212128 A Ac 1,4-Dichloro-2,5-dimethylbenzene Clc1cc(C)c(Cl)cc1C Tox21_301811 -NCGC00256151-01 196728869 tox21-ror-cho-viability-p1 set3 4 0.63004671 -0.38256845 -2.18090794 -1.53121557 1.4193282 3.4464228 4.96991513 2.46352926 3.26208003 2.31481454 0.47529675 0.27116605 3.83942222 -0.14906166 0.58455415 1.177E-9 2.631E-9 5.884E-9 1.316E-8 2.942E-8 6.578E-8 1.471E-7 3.289E-7 7.355E-7 0.000001645 0.0000036769999999 0.000008223 0.00001839 0.00004111 0.000091939999999 3685-84-5 19379 144212715 A D Meclofenoxate hydrochloride Cl.Clc1ccc(OCC(=O)OCCN(C)C)cc1 Tox21_302398 -NCGC00258952-01 196709548 tox21-ror-cho-viability-p1 set2 4 1.10475386 -5.14336115 -5.86846095 0.04293823 -1.78403568 -3.20786392 -1.39304726 -0.40990307 -2.83100422 -0.92100599 -1.40862072 -0.84398594 -1.91646915 -1.7855044 1.1750757 1.195E-9 2.671E-9 5.973E-9 1.336E-8 2.987E-8 6.678E-8 1.493E-7 3.3389999999E-7 7.467E-7 0.0000016699999999 0.000003733 0.000008348 0.00001867 0.00004174 0.000093329999999 2855-13-2 17857 144208599 D Isophorone diamine NCC1(C)CC(C)(C)CC(N)C1 Tox21_201401 -NCGC00259565-01 196709109 tox21-ror-cho-viability-p1 set2 4 -0.47645509 0.04516282 2.47022222 4.80696506 -0.11103286 1.29669579 0.79361942 -0.02868516 2.5038365 0.814308 1.28574784 5.90409112 4.93795166 8.34001736 5.55441358 1.173E-9 2.624E-9 5.867E-9 1.312E-8 2.934E-8 6.56E-8 1.4669999999E-7 3.28E-7 7.334E-7 0.0000016399999999 0.000003667 0.0000082 0.00001834 0.000041 0.00009168 1300-72-7 23668192 144209214 A A Sodium xylenesulfonate [Na+].Cc1ccc(cc1C)S(=O)([O-])=O Tox21_202016 -NCGC00259458-01 196709522 tox21-ror-cho-viability-p1 set2 4 1.03482051 -0.2049271 0.64796174 -4.96637835 -3.33762107 -1.0802597 1.7969743 -1.7714741 -1.74528448 -2.77758025 -3.65563994 -3.33298785 -7.37763734 -0.35919199 -4.89751157 1.211E-9 2.707E-9 6.053E-9 1.3539999999E-8 3.027E-8 6.768E-8 1.5129999999E-7 3.3839999999E-7 7.566E-7 0.0000016919999999 0.0000037829999999 0.00000846 0.00001892 0.0000423 0.000094579999999 98-16-8 7375 144209107 A A 3-(Trifluoromethyl)aniline FC(F)(F)c1cc(N)ccc1 Tox21_201909 -NCGC00255985-01 196709931 tox21-ror-cho-viability-p1 set2 4 0.3437624285 -12.129166336 7 -5.129166336 0.2 0.5139776965 0.16924441 2.10917066 6.11518793 2.74221332 5.74173008 1.2080457 -0.1608426 0.66517826 2.22023012 -2.001138 0.48028204 -0.07909447 -0.13028911 0.89700432 0.29305189 -5.52430528 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1606-85-5 62411 144211995 Ac Ac 1,4-Bis(2-hydroxyethoxy)-2-butyne OCCOCC#CCOCCO Tox21_301678 -NCGC00259187-01 196709146 tox21-ror-cho-viability-p1 set2 4 66.7106494697 -11.718839128 1.5 -10.218839128 4.5044702849 0.7943215228 0.0092708791 4.13858387 0.37160754 1.23717708 0.60065792 1.1502672 1.26891258 -0.40707253 2.42340817 1.16060646 3.35645095 0.78475305 2.54892396 2.96830549 0.39104764 -7.68236594 1.1529999999E-9 2.579E-9 5.766E-9 1.289E-8 2.883E-8 6.447E-8 1.4419999999E-7 3.2229999999E-7 7.2079999999E-7 0.000001612 0.000003604 0.0000080589999999 0.00001802 0.000040289999999 0.0000901 85-01-8 995 144208836 A A Phenanthrene c2cc3ccc1ccccc1c3cc2 Tox21_201638 -NCGC00090686-07 196709542 tox21-ror-cho-viability-p1 set2 4 -1.12229508 -1.95559739 -1.45244908 -3.0927513 -0.82966146 -1.78132191 -1.08199429 0.55873294 1.03239837 -0.89124003 -1.16814842 -1.62728078 -0.87923882 5.79018351 1.15475645 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00259555-01 196709547 tox21-ror-cho-viability-p1 set2 4 1.02671574 1.26105596 3.43504935 4.06062314 4.12488612 0.23806131 1.01779561 2.10269654 2.85586981 -0.52646935 1.89032124 4.46999775 2.37728787 1.59620503 -0.62443831 1.1699999999E-9 2.615E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.538E-8 1.462E-7 3.269E-7 7.31E-7 0.000001635 0.0000036549999999 0.000008173 0.00001827 0.00004086 0.00009137 21087-64-9 30479 144209204 A A Metribuzin O=C1C(=NN=C(SC)N1N)C(C)(C)C Tox21_202006 -NCGC00255976-01 196709962 tox21-ror-cho-viability-p1 set2 4 76.9588215421 11.8348281119 -0.8348281119 11 4.9549173134 0.6956096155 0.0413767292 2.57018038 -1.84153532 -1.19115879 -1.8494417 -0.63438877 -2.36235676 -2.33666987 -1.14794893 -1.0195397 0.00827325 0.83096945 0.99128726 1.02693035 -1.24923371 8.00460501 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-53-3 7392 144212349 A A 4-tert-Butylcyclohexanone O=C1CCC(CC1)C(C)(C)C Tox21_302032 -NCGC00256287-01 196709974 tox21-ror-cho-viability-p1 set2 4 4.21870526 2.19916303 2.59910502 3.6433672 3.13403119 4.24753165 0.10461863 -0.09737379 -0.20818669 0.04903399 -0.1617786 0.21499854 -0.16805379 1.30430005 -0.05965984 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2785-89-9 62465 144212625 A F 4-Ethyl-2-methoxyphenol Oc1ccc(cc1OC)CC Tox21_302308 -NCGC00257550-01 196709977 tox21-ror-cho-viability-p1 set2 4 -0.51564744 -0.63349737 -2.51419388 -1.53081375 -2.00555038 -2.94135962 1.84251047 -3.45114678 -0.63022971 -2.79265868 -1.6474603 -4.0089278 -3.58755136 -1.19824559 -4.65088656 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7149-79-3 23537 144212506 A A N-(3-Chloro-4-methylphenyl)acetamide Cc1ccc(NC(C)=O)cc1Cl Tox21_302189 -NCGC00255320-01 196710382 tox21-ror-cho-viability-p1 set2 4 3.36698743 5.41250241 4.11842352 1.45853602 1.26075118 2.89120425 1.47132818 -0.4955814 0.94437391 2.68126674 -0.10071563 2.83306962 0.41009934 -0.2702296 2.99781684 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55704-78-4 62105 144212749 F A 2,5-Dimethyl-1,4-dithiane-2,5-diol CC1(O)CSC(C)(O)CS1 Tox21_302432 -NCGC00256281-01 196710390 tox21-ror-cho-viability-p1 set2 4 0.69292903 -0.40892753 -0.7028486 0.35223472 -0.61130309 -0.53275539 0.00530671 -0.88169084 0.02830159 -0.64442209 1.24796543 -0.8643534 -0.98504412 3.98340729 4.0846115 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 116912-64-2 90258 144212126 F Fns 2-Silylpropyl-urea, Si-(ethoxy and methoxy) derivs CCO[Si](OCC)(OCC)CCCNC(N)=O Tox21_301809 -NCGC00256127-01 196710392 tox21-ror-cho-viability-p1 set2 4 -6.28918084 1.6481827 1.13383248 -0.14570771 0.00887804 -0.11916316 1.90934075 0.50379143 1.8976695 -0.01472292 0.870349 1.89971307 0.37863206 1.30043633 3.56954138 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1466-76-8 15109 144212315 A A 2,6-Dimethoxybenzoic acid COc1cccc(OC)c1C(=O)O Tox21_301998 -NCGC00256644-01 196718954 tox21-ror-cho-viability-p1 set2 4 -3.75338347 -2.26354112 0.60546796 0.91197424 -0.44038639 1.63061883 1.63753415 -4.90854793 -0.97611129 -4.61550497 0.17506392 -6.36660732 0.28443949 -5.88109727 -5.39609315 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7785-33-3 5367785 144212809 A Ac Geranyl tiglate C\C(C)=C\CCC(\C)=C\COC(=O)C(\C)=C\C Tox21_302492 -NCGC00090760-08 196718962 tox21-ror-cho-viability-p1 set2 -2.4 68.1713220381 -36.106633652 2.5 -33.606633652 4.9549173134 0.9170683652 0.0001249343 -0.83335535 0.25258813 1.76587174 2.45203882 0.20454216 3.72747777 5.35710446 4.12642096 3.96279504 3.8013445 6.53107305 -1.49109671 1.37015643 1.17535668 -27.17219471 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00256800-01 196718541 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -21.31121464 2.5 -18.81121464 4.5044702849 0.8332677634 0.0036659647 -0.59699785 2.26133771 3.42243494 2.07976718 0.6374553 6.23197455 1.63258161 4.03864101 1.94934126 0.91466428 6.13807421 0.39729134 3.89166577 0.48588783 -14.4260122 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6707-60-4 23173 144212873 A A 12-Oxahexadecanolide O=C1CCCCCCCCCCOCCCCO1 Tox21_302556 -NCGC00091080-03 196718560 tox21-ror-cho-viability-p1 set2 4 68.5896218971 10.8552568999 -0.3552568999 10.5 4.9549173134 0.6938956671 0.0420365613 -1.30053574 0.76619428 0.40276981 0.56720199 0.5144617 0.81955297 0.10834959 0.36724905 -2.6242679 -0.89868002 0.00847959 -1.17827409 -4.87938075 0.74907235 8.43028564 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00256426-01 196718973 tox21-ror-cho-viability-p1 set2 4 3.4376242854 6.0953646559 -4.0953646559 2 1.331 0.4147166285 0.2596014311 -0.72994479 -3.48371342 -3.68231443 2.53233357 -8.50501605 -6.09690286 -9.66280388 -2.83467301 -2.69386563 -2.71463955 -0.45887888 -0.00166167 1.7158337 0.09836734 3.7236788 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 13071-79-9 25670 144213311 A Fc Terbufos CC(C)(C)SCSP(=S)(OCC)OCC Tox21_302994 -NCGC00091663-03 196719394 tox21-ror-cho-viability-p1 set2 4 5.4482673282 6.2642691599 -3.7642691599 2.5 4.9549173134 0.3257547034 0.3439059413 0.85472755 0.39099169 -0.41452916 2.26014241 -8.09190101 -8.83634701 -6.28170868 -3.70777176 -0.52419394 -11.4702243 -4.95609894 4.48369493 2.38146243 -0.42006384 3.83644975 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00256574-01 196719393 tox21-ror-cho-viability-p1 set2 4 0.0034376243 10.35614558 -6.85614558 3.5 0.7999999999 0.6279215005 0.0794439668 -5.71345465 0.43079212 -0.51810035 0.38021406 -0.47948719 5.26338096 2.190197 4.56458312 2.39774142 5.47937742 5.62915884 2.57198062 2.83240094 0.62433577 2.78534094 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-14-7 7220 144213251 A A 1,2,3-Benzotriazole c1cccc2nnnc12 Tox21_302934 -NCGC00256694-01 196719399 tox21-ror-cho-viability-p1 set2 4 -0.4902429 0.83689586 -0.35924956 -2.68144841 -3.20870563 -0.15045812 -0.9491557 -2.38304118 -2.30288612 -7.90822486 -0.05048402 1.34157721 -3.41826376 -4.22508529 -3.57030956 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 41394-05-2 38854 144212982 A A Metamitron O=C1C(=NN=C(C)N1N)c2ccccc2 Tox21_302665 -NCGC00091775-03 196719409 tox21-ror-cho-viability-p1 set2 -2.4 13.6854287769 -20.0217200359 -0.5 -20.5217200359 1.8851180601 0.9253196575 0.0000725973 -1.69106262 1.71719031 -0.32746226 1.40964036 -0.62980533 -4.18483831 -0.92076541 -2.28892325 -3.55101566 1.99216826 -1.19253042 -4.952129 -14.65521916 -20.01810003 -18.26377806 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00254026-01 196719822 tox21-ror-cho-viability-p1 set3 1.4 0.0385707789 27.820328136 -25.320328136 2.5 0.3 0.7500419888 0.0194984062 -17.4757415 -19.43360678 -11.25778873 -18.95368511 -11.20640945 -11.25950568 -0.34094268 -9.17159135 -2.55406802 -8.54607404 -7.04461026 0.14347038 -2.27559314 0.11488351 0.80869388 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5392-40-5 8843 144210415 FC 3,7-Dimethyl-2,6-octadienal C\C(C)=C\CCC(C)=CC=O Tox21_300095 -NCGC00254996-01 196720226 tox21-ror-cho-viability-p1 set3 4 6.08566748 4.57215641 -1.95616924 2.56709547 4.39977546 7.95514171 1.40912068 6.50609129 0.45586498 2.96126027 5.2070173 -0.45616209 0.10915493 -0.24746996 2.80591591 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 69377-81-7 50465 144211413 A A Fluroxypyr O=C(O)COc1nc(F)c(Cl)c(N)c1Cl Tox21_301096 -NCGC00090780-04 196720232 tox21-ror-cho-viability-p1 set3 4 -2.76589054 5.3653361 -2.46663428 -5.72401128 -1.81913114 -6.29019575 0.26309752 2.43560356 -2.57662516 -1.71233883 2.76020827 -1.08893229 -2.04785952 0.35834631 1.87649397 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00257774-01 196702655 tox21-ror-cho-viability-p1 set1 4 -0.0307291 0.62039686 -1.23124 2.50191343 -0.17326452 6.09941167 1.13035064 -0.04499286 10.89591834 0.72759817 2.11364113 0.18297022 7.56290437 -0.13890039 1.36034739 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 613-93-4 11954 144207418 A A N-Methylbenzamide O=C(NC)c1ccccc1 Tox21_200220 -NCGC00258712-01 196702238 tox21-ror-cho-viability-p1 set1 4 -0.28716944 0.55681948 0.6459703 3.76796044 0.50757957 0.02999052 1.83533053 -1.37964184 0.8116469 0.73557515 2.00145967 1.29427273 3.32670821 -0.78630127 4.69812156 1.171E-9 2.618E-9 5.8529999999E-9 1.3089999999E-8 2.927E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.316E-7 0.0000016359999999 0.000003658 0.00000818 0.00001829 0.0000409 0.00009146 51481-61-9 2756 144208358 A A Cimetidine N#C\N=C(/NC)NCCSCc1ncnc1C Tox21_201160 -NCGC00258057-01 196702648 tox21-ror-cho-viability-p1 set1 4 6.51098117 2.39533622 0.33264368 2.31016992 2.4792748 -1.34051731 8.73074408 3.39804559 4.82390005 3.4347775 -0.92477083 0.89978411 1.92284044 0.17018217 4.89229784 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3079999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.000008269 0.000018489999999 0.00004135 0.00009245 108-78-1 7955 144207701 A A Melamine Nc1nc(N)nc(N)n1 Tox21_200503 -NCGC00258223-01 196702649 tox21-ror-cho-viability-p1 set1 4 -10.56387044 -12.19088475 -14.78180449 -12.28935708 -11.95766457 -11.50442471 -17.21299696 -13.69726925 -2.12719486 -13.04160261 -10.02118833 -9.10187023 -10.50576696 -9.15424686 -8.62031789 1.175E-9 2.628E-9 5.875E-9 1.314E-8 2.938E-8 6.569E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.00004106 0.0000918 112-57-2 8197 144207867 Tetraethylenepentamine NCCNCCNCCNCCN Tox21_200669 -NCGC00258484-01 196702668 tox21-ror-cho-viability-p1 set1 4 -2.92370046 -11.67007199 1.18597183 -2.83789981 -10.71970737 3.40353663 -9.2949965 -3.56201585 2.86728361 -11.3359977 -9.92717513 -5.19212476 -7.47105429 -2.8093185 -6.01201218 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.976E-8 6.656E-8 1.4879999999E-7 3.3279999999E-7 7.441E-7 0.0000016639999999 0.000003721 0.000008319 0.0000186 0.0000416 0.00009301 1641-17-4 71645 144208128 A A Mexenone O=C(c1ccc(cc1O)OC)c2ccc(C)cc2 Tox21_200930 -NCGC00357076-01 196703068 tox21-ror-cho-viability-p1 set1 4 1.25077485 -2.65452862 0.30039327 -5.18748352 2.22765894 -4.172505 -0.94554391 -4.24438137 -0.59442507 -4.18014707 -4.10439747 -8.02398458 -1.08125765 -6.35824587 1.83769286 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-30-1 62325 251919949 F 2-Methylpropanoyl chloride CC(C)C(Cl)=O Tox21_303786 -NCGC00357069-01 196703074 tox21-ror-cho-viability-p1 set1 4 -5.6770872 -2.28644954 -3.61659033 -0.15797813 -3.90016315 3.00601896 -3.0958704 2.60431161 -3.23854096 0.37257894 -0.42100563 2.73274848 0.93252263 2.19131546 -2.08844277 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-97-7 6572 251919684 A Lactonitrile N#CC(C)O Tox21_303777 -NCGC00357022-01 196703078 tox21-ror-cho-viability-p1 set1 4 -1.84051834 0.98310264 0.24844155 -1.16516358 -1.60718366 0.18017633 -0.19397691 -1.79529885 -0.60350404 -0.75471285 -1.31011195 0.88920246 -1.20965315 0.87779866 -0.04906529 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 487-68-3 10254 251919905 A 2,4,6-Trimethylbenzaldehyde Cc1cc(C)cc(C)c1C=O Tox21_303703 -NCGC00260184-01 196703081 tox21-ror-cho-viability-p1 set1 4 69.6372298062 9.49222702 -0.99222702 8.5 4.5044702849 0.4368659471 0.2404455673 -2.26713219 -1.61907947 0.89576038 -1.5291399 -3.20495554 0.0983776 2.70267778 -4.57685585 -0.6226035 0.73333596 2.96774243 -3.42120204 -2.53097635 -0.11725943 6.38102643 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.679E-8 1.493E-7 3.3389999999E-7 7.467E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004174 0.00009334 307492-75-7 21977262 144209834 A A 1-Ethyl-2,3-dimethylimidazolium tetrafluoroborate C[n+]1ccn(CC)c1C.F[B-](F)(F)F Tox21_202636 -NCGC00254328-01 196699767 tox21-ror-cho-viability-p1 set1 4 2.4336516212 -8.31177646 -1.5 -9.81177646 4.5044702849 0.5938344168 0.1018513114 -4.86160248 -0.7781087 -3.1117062 0.09217976 -1.67790796 1.20817716 -5.661638 -3.64975568 4.14865408 -3.08684997 -8.76290474 -4.63478119 -14.84314705 -7.69202785 -11.20631338 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10605-21-7 25429 144210796 A A Carbendazim O=C(OC)Nc1nc2ccccc2n1 Tox21_300478 -NCGC00254516-01 196699352 tox21-ror-cho-viability-p1 set1 4 68.5896218971 17.9212942599 -0.9212942599 17 4.0949729863 0.8753349299 0.0009673301 -1.00637983 -2.25802256 -2.59850723 1.46768894 0.54392209 -2.11860199 -1.62234924 -2.85107855 1.48699468 -0.88515652 -1.88035394 -0.2084496 -0.46333101 1.02090193 12.85041242 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1646-75-9 15436 144210726 FNS Aldicarb oxime O\N=C/C(C)(C)SC Tox21_300408 -NCGC00254363-01 196699362 tox21-ror-cho-viability-p1 set1 -2.2 9.723895819 -66.9077277616 -0.017844392 -66.9255721536 1.0999999999 0.9937856856 0 0.39676933 -0.44623809 -0.19453018 0.78155864 0.43771892 -0.39437245 -3.92953578 1.52270744 -0.73574621 -5.23787157 -13.10113243 -19.31004807 -37.74070455 -50.13352885 -58.65573648 7.326E-10 1.638E-9 3.663E-9 8.191E-9 1.8319999999E-8 4.095E-8 9.1579999999E-8 2.048E-7 4.5789999999E-7 0.000001024 0.000002289 0.000005119 0.000011449999999 0.0000256 0.00005724 3844-45-9 19700 144210834 Z Z FD&C Blue No. 1 [Na+].[Na+].CC/[N+](Cc1cccc(c1)S([O-])(=O)=O)=C2\C=C/C(C=C2)=C(\c3ccc(cc3)N(Cc4cccc(c4)S([O-])(=O)=O)CC)c5ccccc5S([O-])(=O)=O Tox21_300516 -NCGC00254024-01 196699371 tox21-ror-cho-viability-p1 set1 -3 64.4400237781 -47.8672724811 1.251598815 -46.6156736661 4.9549173134 0.9628702887 0.0000016193 4.00320333 2.76413243 3.68473923 0.17232986 3.18306015 3.60224757 2.67187012 3.38066923 -1.62711992 -1.37608771 -2.27612596 1.06759605 -0.9110497 -4.35963478 -40.96482037 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 68-26-8 445354 144210607 FNS Retinol CC=1CCCC(C)(C)C=1/C=CC(\C)=C\C=C\C(\C)=C\CO Tox21_300287 -NCGC00258068-01 196729302 tox21-ror-cho-viability-p1 set3 1.2 30.3265518896 40.5764312515 0.3684411525 40.944872404 4.9549173134 0.9703940432 4.507E-7 1.31465708 0.88984735 1.6179924 -1.58387474 0.75156935 1.0488818 0.82508444 0.12481864 1.13207676 -0.70861484 1.58665313 3.32448863 -1.9860875 39.0241827 42.97898945 1.1699999999E-9 2.617E-9 5.852E-9 1.3089999999E-8 2.926E-8 6.543E-8 1.463E-7 3.2719999999E-7 7.315E-7 0.0000016359999999 0.000003658 0.0000081789999999 0.00001829 0.000040889999999 0.000091439999999 59-33-6 5284451 144207712 A A Pyrilamine maleate O=C(O)/C=C\C(=O)O.COc1ccc(cc1)CN(CCN(C)C)c2ccccn2 Tox21_200514 -NCGC00257756-01 196729693 tox21-ror-cho-viability-p1 set3 4 -3.11963386 -5.4051541 -3.93883007 -2.25563583 -2.39837726 -3.18779177 1.87246547 -5.65748978 -5.98305475 -1.24765767 -3.80937536 -2.50384781 0.37316525 0.12466643 3.99694442 1.159E-9 2.591E-9 5.794E-9 1.2959999999E-8 2.8969999999E-8 6.478E-8 1.449E-7 3.239E-7 7.243E-7 0.00000162 0.0000036209999999 0.000008098 0.000018109999999 0.00004049 0.00009053 287-92-3 9253 144207400 FNS Cyclopentane C1CCCC1 Tox21_200202 -NCGC00091602-02 196729700 tox21-ror-cho-viability-p1 set3 4 1.46484152 3.03275436 0.43202289 -1.03876979 0.4794132 2.46807256 0.99816592 0.25359659 2.57082309 3.658286 0.08764855 2.88431085 -0.45879612 -1.64549967 -4.4681509 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00258378-01 196729701 tox21-ror-cho-viability-p1 set3 4 0.04465413 1.13036636 -1.46306403 2.7131215 -1.73477093 2.99951019 3.33386924 0.13919384 3.35870883 -1.75477181 3.0373536 3.16954475 -2.60353367 -0.15583161 0.58866143 1.226E-9 2.741E-9 6.13E-9 1.371E-8 3.065E-8 6.8529999999E-8 1.532E-7 3.4269999999E-7 7.662E-7 0.000001713 0.0000038309999999 0.000008566 0.000019149999999 0.000042829999999 0.000095769999999 107-05-1 7850 144208022 AC Ac Allyl chloride C=CCCl Tox21_200824 -NCGC00257561-01 196729702 tox21-ror-cho-viability-p1 set3 -1.4 0.1374111717 -34.41960168 2.5 -31.91960168 0.5 0.538747448 0.4856818022 -2.74385221 0.14591155 -1.84881576 -3.51786911 -6.53165085 -28.54860811 -4.18775073 -8.86194217 -31.1830014 -2.98306298 -25.24436052 -4.30186981 -7.80603928 -4.24621256 -7.32282221 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.324E-8 2.959E-8 6.618E-8 1.4799999999E-7 3.309E-7 7.399E-7 0.0000016539999999 0.0000036989999999 0.000008272 0.0000185 0.00004136 0.00009248 7779-65-9 62660 144207205 A A 3-Methylbutyl cinnamate CC(C)CCOC(=O)C=Cc1ccccc1 Tox21_200007 -NCGC00258773-01 196729716 tox21-ror-cho-viability-p1 set3 4 0.25730876 0.6813914 0.18993677 0.22483482 0.72839042 -2.19675212 -0.09259976 -2.95693667 -4.50395222 -2.51998031 -1.25155484 0.11544118 -3.69910475 0.33125049 2.4582732 1.194E-9 2.67E-9 5.9709999999E-9 1.335E-8 2.985E-8 6.676E-8 1.493E-7 3.338E-7 7.464E-7 0.000001669 0.000003732 0.000008345 0.00001866 0.00004172 0.00009329 119-10-8 67058 144208419 A A 1-Methoxy-4-methyl-2-nitrobenzene COc1ccc(C)cc1[N+]([O-])=O Tox21_201221 -NCGC00256820-01 196727700 tox21-ror-cho-viability-p1 set3 4 -1.28571156 3.02873515 2.16125135 -1.8396227 2.58660505 1.90810932 2.30504166 2.26744623 -1.45055423 -0.98938526 1.46185795 2.0294757 2.7999612 2.00764526 -0.05366913 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-17-4 8167 144212889 A F Decyl acetate CC(=O)OCCCCCCCCCC Tox21_302572 -NCGC00257360-01 196727696 tox21-ror-cho-viability-p1 set3 -1.1 27.3060203028 -83.9307763249 0.80375957 -83.1270167549 2.9522712143 0.9895869452 1.1E-9 -1.93175803 -0.00511181 -0.0181498 -3.42129961 0.37356885 0.21285645 1.79250992 2.00415225 4.32483591 5.46532905 2.53407998 -7.08682913 -19.23995084 -65.38579422 -81.49707525 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-24-4 6928 144213674 A A 2,2'-Methylenebis(ethyl-6-tert-butylphenol) CC(C)(C)c2cc(cc(Cc1cc(CC)cc(c1O)C(C)(C)C)c2O)CC Tox21_303358 -NCGC00256896-01 196727697 tox21-ror-cho-viability-p1 set3 4 -2.15314041 1.34663304 2.60729331 -1.24824845 0.2046244 -2.26366788 -2.33522063 -0.13832208 0.66522703 2.24477808 3.10257389 0.26856895 -0.86356168 -3.73896874 -1.40710994 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-42-2 61027 144212878 A F Butyl undec-10-enoate O=C(CCCCCCCCC=C)OCCCC Tox21_302561 -NCGC00257232-01 196727699 tox21-ror-cho-viability-p1 set3 1.4 6.1130564862 22.265590236 -1.265590236 21 4.9549173134 0.8739218322 0.0010004084 -3.63025582 0.42292974 0.67210493 2.85001235 1.35913443 1.35624858 -4.49629161 -4.53298055 -1.40597745 -0.47243132 -4.80465853 19.86209175 12.90712401 21.69023719 25.54937624 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 87-02-5 6868 144213627 A F 7-Amino-4-hydroxynaphthalene-2-sulfonic acid O=S(=O)(O)c1cc(O)c2ccc(N)cc2c1 Tox21_303310 -NCGC00256523-01 196727710 tox21-ror-cho-viability-p1 set3 4 1.3685428777 8.3438045439 -4.8438045439 3.5 0.9999999999 0.7650629499 0.0155189672 -3.79328833 -5.97628381 -1.81153978 -6.42853171 -4.4529763 -6.64306935 -7.36983712 0.2287171 -2.42141204 0.33924122 1.51890154 -0.07052097 3.94306536 2.4039308 4.52922809 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 54-31-9 3440 144213288 A A Furosemide NS(=O)(=O)c2cc(c(NCc1ccco1)cc2Cl)C(=O)O Tox21_302971 -NCGC00256053-01 196728112 tox21-ror-cho-viability-p1 set3 4 69.9870189297 -18.692522624 0.5 -18.192522624 4.9549173134 0.6473616912 0.0660390511 -7.80689111 0.58625907 -0.1638624 2.95489148 0.55306588 0.25870067 -0.80963082 -2.01560346 2.27898971 2.13474731 2.81085862 0.017268 -1.24795888 3.17975632 -15.16043552 1.1999999999E-9 2.683E-9 5.999E-9 1.3409999999E-8 2.999E-8 6.707E-8 1.5E-7 3.353E-7 7.499E-7 0.000001677 0.000003749 0.000008384 0.00001875 0.00004192 0.00009373 7360-44-3 16683978 144212560 Fc Aluminum hydroxide acetate (1:2:1) O[Al](O)OC(C)=O Tox21_302243 -NCGC00256260-01 196728537 tox21-ror-cho-viability-p1 set3 4 1.25425577 -4.78062477 -2.43628771 5.76468209 -5.96497786 6.16640056 2.0884147 3.9946561 -1.6764819 1.05668955 1.3894212 11.14578242 2.57258617 -1.8959246 -0.56814462 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16251-77-7 85979 144212640 Ac F 3-Phenylbutyraldehyde CC(CC=O)c1ccccc1 Tox21_302323 -NCGC00260383-01 196711639 tox21-ror-cho-viability-p1 set2 -3 2.7444923243 -46.6628777873 0 -46.6628777873 0.6 0.5486498931 0.2147843123 -0.57124713 -0.58390683 0.49308919 -0.78516819 -0.89209956 -0.88103792 -23.94054043 -7.85121213 -12.92066878 -5.47628013 -37.03402999 -14.23138823 -8.80597536 -23.49609297 -15.41982949 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.312E-7 7.405E-7 0.000001656 0.000003702 0.000008279 0.00001851 0.0000414 0.00009256 497-03-0 5321950 144210035 F 2-Methyl-2-butenal C[C@H]=C(C)C=O Tox21_202837 -NCGC00260173-01 196711625 tox21-ror-cho-viability-p1 set2 4 5.44367439 1.3179656 2.50732189 1.74926836 3.4042509 5.20539773 2.53740051 8.68532137 6.00465244 7.01580283 5.1850031 3.33359448 -9.70371674 9.40759768 -0.52622525 1.195E-9 2.672E-9 5.975E-9 1.336E-8 2.987E-8 6.6799999999E-8 1.494E-7 3.34E-7 7.468E-7 0.0000016699999999 0.0000037339999999 0.00000835 0.00001867 0.00004175 0.000093349999999 169051-76-7 11750474 144209823 A Ac 1,2-Dimethyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide Cc1[n+](CCC)ccn1C.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F Tox21_202625 -NCGC00260562-01 196711626 tox21-ror-cho-viability-p1 set2 -2.1 13.3331902297 -73.4907875524 -4.080324134 -77.5711116864 3.9899729863 0.8743586225 0.0016219961 -2.56911479 -3.75231883 -13.96417586 -1.30848088 -3.0136267 0 -8.03012123 0 0 -20.78784258 0 0 -11.31333197 -80.80324134 -18.60276914 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49458 144210215 M M NTP Mix70 CT1 62-EQP Tox21_203017 -NCGC00260369-01 196711629 tox21-ror-cho-viability-p1 set2 4 0.5173754873 -4.93574464 -13.57400822 -14.97412206 -6.15653274 -10.59246622 -11.6493542 0 -26.38558524 -10.43332588 0 -0.00553381 0 0 -30.67997456 -14.92250393 1.198E-9 2.68E-9 5.992E-9 1.34E-8 2.996E-8 6.6989999999E-8 1.4979999999E-7 3.35E-7 7.4899999999E-7 0.000001675 0.000003745 0.000008374 0.000018719999999 0.00004187 0.00009362 34841-35-5 587128 144210021 A A 3'-Chloropropiophenone O=C(CC)c1cc(Cl)ccc1 Tox21_202823 -NCGC00260113-01 196711640 tox21-ror-cho-viability-p1 set2 4 43.1011428733 15.6686808801 1.3313191199 17 0.8999999999 0.578938455 0.1133562081 -1.12447449 -1.3905674 0.29267404 6.92560936 -0.81413245 6.50854466 0.35512643 0.90362711 3.61501661 -0.56369768 4.07972614 6.54111347 3.39927901 8.52600653 12.87190469 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.9409999999E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.0000411 0.00009189 5039-78-1 78738 144209762 Fns (2-(Methacryloyloxy)ethyl)trimethylammonium chloride [Cl-].C[N+](C)(C)CCOC(=O)C(=C)C Tox21_202564 -NCGC00257045-01 196707918 tox21-ror-cho-viability-p1 set1 4 -1.93372963 -0.06625922 -9.09439051 -0.9731778 -6.50771653 -11.44405642 0.53720061 0.98044549 -9.82795383 0.16500421 -17.77474271 -6.74589764 -7.25918077 1.18172856 -9.68691649 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6983-79-5 6537494 144213412 F Fns Bixin C/C(=C\C=C\C(=O)OC)/C=C/C=C(\C)/C=C\C=C(/C)\C=C/C=C(/C)\C=C/C(=O)O Tox21_303095 -NCGC00256377-01 196707903 tox21-ror-cho-viability-p1 set1 4 0.086349218 -8.793491968 -9.254744284 -18.048236252 0.4 0.3851656939 0.3047398771 -6.87895357 -15.55746356 -15.72824184 -11.38829823 -8.40660338 -14.35269676 -9.92552832 -15.5256463 -16.49939377 -18.05239318 -18.21423276 -16.67518236 -18.37353021 -14.20237489 -11.95606607 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2516-40-7 612040 144213130 A Ac 2-Bromobenzothiazole Brc1nc2ccccc2s1 Tox21_302813 -NCGC00257332-01 196707907 tox21-ror-cho-viability-p1 set1 -3 40.3212779718 -60.749628204 -3.395507992 -64.145136196 4.9549173134 0.9439224347 0.0000157041 -7.11192836 -3.46839128 -0.84176948 -5.21285321 1.92102973 2.58413309 -3.42221575 -0.03427127 -8.94552938 -4.0301444 -2.93203515 -7.08854872 -6.78628231 -9.76101612 -56.37094683 7.579E-10 1.6949999999E-9 3.789E-9 8.473E-9 1.895E-8 4.2369999999E-8 9.4729999999E-8 2.1179999999E-7 4.737E-7 0.000001059 0.0000023679999999 0.000005296 0.00001184 0.00002648 0.00005921 68392-35-8 63062 144213959 I I 4-Hydroxytamoxifen Oc1ccc(cc1)C(c2ccc(OCCN(C)C)cc2)=C(CC)c3ccccc3 Tox21_303657 -NCGC00256467-01 196707913 tox21-ror-cho-viability-p1 set1 4 4.8557733675 5.6188839519 -2.1188839519 3.5 0.9999999999 0.3331545399 0.3386863212 1.71555349 -1.73862433 -4.86422391 1.81008661 0.18871392 -6.98589266 -0.89775765 -7.59906996 0.84361651 0.1545523 1.32152671 1.27399699 0.3120787 3.71955026 3.9226998 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 968-81-0 1989 144213052 A A Acetohexamide O=C(NC1CCCCC1)NS(=O)(=O)c2ccc(cc2)C(C)=O Tox21_302735 -NCGC00091759-02 196708317 tox21-ror-cho-viability-p1 set1 4 -7.72524641 -2.24605747 1.70813652 0.67432295 -3.25911293 0.46642185 -9.30350515 3.20538428 -8.7847731 0.24661475 -3.61238856 -0.11971474 -2.67362389 -2.38579794 -5.20439931 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00257018-01 196708322 tox21-ror-cho-viability-p1 set1 4 6.1130564862 11.650005184 -16.454219016 -4.804213832 4.9549173134 0.7234322757 0.0285442201 -13.79686269 -14.90028159 -15.70696392 -18.03598293 -17.50132635 -18.36876017 -13.2356657 -11.9072136 -22.46184918 -18.55787849 -18.80183456 -4.92469443 -10.23042302 -4.03492923 -2.33684486 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1115-20-4 14218 144213617 F A 3-Hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropanoate CC(C)(CO)COC(=O)C(C)(C)CO Tox21_303300 -NCGC00256484-01 196718991 tox21-ror-cho-viability-p1 set2 4 -0.4500462 -0.30721325 0.77329294 1.58789757 2.4025053 2.32846213 1.9281136 4.08820285 4.12934848 0.11688176 1.41283536 5.87440654 4.77213319 4.43193135 0.27681535 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-76-9 7064 144213286 A A 6-Phenyl-1,3,5-triazine-2,4-diamine Nc1nc(nc(N)n1)c2ccccc2 Tox21_302969 -NCGC00259968-01 196721475 tox21-ror-cho-viability-p1 set3 4 26.4198450203 7.639486712 -5.139486712 2.5 4.9549173134 0.7816451913 0.0117771333 -8.44957226 -4.42081571 -3.6463335 -3.81684324 -4.89704426 -6.27963201 -4.46805784 -5.5432673 -5.74603228 -2.84039842 -5.83164986 -6.56726356 -4.02626634 1.47674688 2.64407793 1.148E-9 2.566E-9 5.738E-9 1.2829999999E-8 2.8689999999E-8 6.415E-8 1.434E-7 3.2079999999E-7 7.1719999999E-7 0.000001604 0.0000035859999999 0.0000080189999999 0.00001793 0.00004009 0.00008965 156-60-5 638186 144209617 FC (E)-1,2-Dichloroethylene Cl\C=C\Cl Tox21_202419 -NCGC00091253-05 196721853 tox21-ror-cho-viability-p1 set3 4 29.7055370537 10.807533508 -5.307533508 5.5 4.9549173134 0.6298156307 0.0770966194 -5.00666798 -7.01105955 -4.28783632 -6.1462988 -8.3016183 -6.00932318 -8.11062173 -3.25995532 -2.79518659 -0.58967142 -2.38361276 -10.67294459 -7.28008797 5.45236956 4.28019593 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00259603-01 196721855 tox21-ror-cho-viability-p1 set3 4 -4.34760254 -1.32273877 -1.42472034 2.30990476 -4.17234961 -5.60669954 -4.88124142 -5.50488789 -7.44967657 -0.03137745 -4.86360589 -4.75705795 -5.00485128 1.04110119 2.46746171 1.2149999999E-9 2.716E-9 6.073E-9 1.358E-8 3.036E-8 6.7899999999E-8 1.518E-7 3.395E-7 7.591E-7 0.000001697 0.0000037959999999 0.000008487 0.00001898 0.000042439999999 0.00009489 24295-03-2 520108 144209252 B Ac 2-Acetylthiazole CC(=O)c1nccs1 Tox21_202054 -NCGC00257489-01 196718576 tox21-ror-cho-viability-p1 set2 4 1.62476385 0.14116853 2.27405195 1.53224781 3.4750842 2.4438251 0.21104994 1.8332419 3.44021251 4.976622 4.26468418 1.03064865 -0.6998337 1.15794069 2.98132726 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 5329-14-6 5987 144213791 F F Sulfamic acid NS(=O)(=O)O Tox21_303482 -NCGC00256487-01 196718585 tox21-ror-cho-viability-p1 set2 4 -1.67218823 0.02539595 -1.52254335 -0.42085612 -0.84443725 -0.05993786 -0.59262669 -0.77418544 0.70370463 4.60858021 -0.69017855 7.14382641 1.08102247 4.65010147 1.37197121 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77191-36-7 71157 144213342 A A Nefiracetam O=C2CCCN2CC(=O)Nc1c(C)cccc1C Tox21_303025 -NCGC00257274-01 196718981 tox21-ror-cho-viability-p1 set2 4 1.39320026 -4.72824592 -4.77465721 -1.74989633 -11.41540417 -5.40130807 -6.19320317 -2.58651231 1.74624874 -1.73643596 -12.16738195 -1.12003823 -8.85593649 -0.17836682 -3.47283538 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7757-79-1 24434 144213706 Potassium nitrate [K+].[O-][N+]([O-])=O Tox21_303394 -NCGC00256479-01 196718995 tox21-ror-cho-viability-p1 set2 4 0.20552739 -1.57809483 2.79758077 3.60424275 2.72894568 5.71305237 2.01373893 3.27551118 1.26422234 -3.57447289 -1.56258718 3.74115213 6.67895797 3.68320594 4.10176371 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 470-82-6 2758 144213219 F Fns 1,8-Cineol CC2(C)OC1(C)CCC2CC1 Tox21_302902 -NCGC00257399-01 196718998 tox21-ror-cho-viability-p1 set2 4 3.48874951 0.14939592 0.05008538 1.06242805 -0.73383743 5.35229453 3.80924094 5.12091045 2.4276947 2.42263356 2.2056543 2.48991847 0.34587484 1.05078234 2.68027748 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1569-01-3 15286 144213725 Ac 1-Propoxy-2-propanol CC(O)COCCC Tox21_303414 -NCGC00257037-01 196719420 tox21-ror-cho-viability-p1 set2 4 54.4826732819 14.0078241639 -3.0078241639 11 2.09374246 0.5269844409 0.156032526 -1.06335567 0.186745 -8.33985347 -8.17093931 -5.73757266 -3.92845924 -0.12624545 -2.61109882 -1.67554367 -2.5666119 -0.59097685 0.26748567 -2.27221578 1.35215371 7.6585946 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 634-66-2 12463 144213589 A Ac 1,2,3,4-Tetrachlorobenzene Clc1ccc(Cl)c(Cl)c1Cl Tox21_303272 -NCGC00257249-01 196719427 tox21-ror-cho-viability-p1 set2 4 54.4826732819 12.883167796 -2.383167796 10.5 4.0949729863 0.5183202106 0.1633510937 0.91041337 -6.96505737 -4.13429088 -1.61445553 -9.90263983 -1.19865267 0.86935282 -2.36351541 -0.12707804 -1.47256243 -0.83237712 -2.48226168 -0.06681013 0.4838186 9.16167194 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-41-3 7298 144213868 A Cyclopentanol OC1CCCC1 Tox21_303563 -NCGC00256845-01 196719438 tox21-ror-cho-viability-p1 set2 4 0.5064467 0.12504703 0.65333515 3.31772708 0.40199058 4.07524636 2.02151109 5.62704688 4.69671793 0.77524354 3.79640219 2.19228935 0.59659238 1.37802881 -0.14073885 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55719-85-2 5357002 144213003 A F Phenethyl tiglate C\C=C(/C)C(=O)OCCc1ccccc1 Tox21_302686 -NCGC00256559-01 196719441 tox21-ror-cho-viability-p1 set2 4 -0.74096571 -0.51002664 0.29582757 1.08669245 1.35565116 0.27964098 0.81649146 6.75685636 0.56503518 1.07870935 4.45878426 2.77784919 0.07899702 -0.06664147 0.43385254 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 108-99-6 7970 144213318 Fns 3-Methylpyridine Cc1cccnc1 Tox21_303001 -NCGC00164582-02 196704320 tox21-ror-cho-viability-p1 set1 4 -1.61557342 -1.14489386 -7.12187668 -1.6800857 0.74235905 -1.65488147 -0.97364877 0.56170317 -1.43229241 1.55435707 -1.50300653 -1.26556641 0.6419478 -2.91517884 1.30793475 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 30748-29-9 35455 170465969 A Feprazone C/C(C)=C\CC2C(=O)N(c1ccccc1)N(C2=O)c3ccccc3 Tox21_112208_1 -NCGC00090760-08 196703918 tox21-ror-cho-viability-p1 set1 -2.2 60.7577547203 -60.3275638154 -0.4210762509 -60.7486400663 2.2481167061 0.9564387017 0.0000039402 3.18906549 -1.66263789 1.57877652 -0.50595162 -1.30940248 -0.89829991 0.84453058 0.87135719 1.22355382 0.69486348 -0.35134403 -8.64250075 -6.12191339 -16.89535659 -46.02169702 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00356947-01 196703919 tox21-ror-cho-viability-p1 set1 4 -2.01503638 -0.97620933 -0.82898633 -1.76904004 -0.41521479 1.98776464 1.79093501 1.7170762 7.9758869 -0.78755828 -0.19006385 1.06528558 2.23281855 0.7677582 0.65944312 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6440-58-0 22947 251919728 F 1,3-Dimethylol-5,5-dimethylhydantoin CC1(C)C(=O)N(CO)C(=O)N1CO Tox21_303842 -NCGC00185741-02 196704318 tox21-ror-cho-viability-p1 set1 4 -5.0025413 -0.78394475 -6.11997518 -0.22872148 -0.82401214 0.97168705 0.00508523 -3.59261487 -0.10156889 -0.04455234 0.29271999 -0.20200254 -0.27818678 -0.22820907 3.65421035 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 78281-72-8 151075 170465203 A Nepafenac Nc1c(cccc1CC(N)=O)C(=O)c2ccccc2 Tox21_112985_1 -NCGC00255906-01 196701023 tox21-ror-cho-viability-p1 set1 -1.1 0.8634921799 -91.052878279 2.539653583 -88.513224696 3.5117481694 0.9622534365 0.0000017704 3.06519653 1.53309673 2.93325076 3.88942732 0.89093463 -0.86129484 1.58815895 0.42440054 -23.57188934 -91.75286735 -89.92107 -61.38858375 -94.76459745 -97.696716 -91.15196063 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 379-52-2 9786 144212558 A Triphenyltin fluoride F[Sn](c1ccccc1)(c2ccccc2)c3ccccc3 Tox21_302241 -NCGC00255957-01 196700619 tox21-ror-cho-viability-p1 set1 4 2.84686546 2.00001697 0.81954769 3.97566572 2.14073393 1.32195707 -0.73330135 0.06320866 1.48575115 -1.35267573 -3.68730713 -0.54047742 0.14494146 2.55266957 7.38130446 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14073-97-3 26447 144212470 A (2S,5R)-5-Methyl-2-(propan-2-yl)cyclohexanone CC(C)[C@@H]1CC[C@@H](C)CC1=O Tox21_302153 -NCGC00255540-01 196701015 tox21-ror-cho-viability-p1 set1 4 7.54261175 0.46089711 2.85757347 2.91835243 2.92298481 0.25897108 -0.23200265 1.92486447 2.45110287 2.82699863 -0.3030001 1.42682508 3.1371553 1.61777986 2.65391207 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 321-64-2 1935 144212594 A A Tacrine Nc1c3ccccc3nc2CCCCc12 Tox21_302277 -NCGC00256017-01 196701018 tox21-ror-cho-viability-p1 set1 4 0.43982853 -4.67716599 -0.42430667 -3.40200756 -4.85472744 -3.35453989 -0.44389286 -4.0171053 -8.42331674 -4.93300603 5.27759523 -3.11556239 0.04687077 -1.85906659 1.55659072 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 54-86-4 23687810 144211538 A Sodium nicotinate [Na+].[O-]C(=O)c1cccnc1 Tox21_301221 -NCGC00255297-01 196701034 tox21-ror-cho-viability-p1 set1 4 -1.63637378 1.84698342 0.44277378 -0.15831808 0.77094997 3.8576067 2.8273209 -0.17442658 -0.28726356 0.30287955 -0.21591885 0.90689402 0.81164667 3.13407102 -1.1913179 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77732-09-3 53735 144212170 A A Oxadixyl O=C2OCCN2N(C(=O)COC)c1c(C)cccc1C Tox21_301853 -NCGC00255548-01 196701435 tox21-ror-cho-viability-p1 set1 4 0.26374982 -0.22017661 2.7316265 3.74569967 1.29407134 -1.45533988 -1.83347459 0.85662628 -2.12980071 2.73184179 1.56635288 2.6303467 1.18203767 -4.48479852 -3.72618881 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 116-02-9 8298 144211817 C I 3,3,5-Trimethylcyclohexanol CC1(C)CC(C)CC(O)C1 Tox21_301500 -NCGC00255506-01 196701442 tox21-ror-cho-viability-p1 set1 4 96.8854161011 -27.3906619479 -1 -28.3906619479 0.4 0.3865483863 0.2846284959 -1.15795735 -5.86273448 4.21368371 3.92899223 -2.08107173 -4.60887818 -1.13675905 -6.92770708 -10.25481293 -9.53220625 -8.24398389 4.42532493 -13.73774442 -5.16917147 -21.99221829 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 502-55-6 10404 144212544 F Fc Bis(ethylxanthogen) CCOC(=S)SSC(=S)OCC Tox21_302227 -NCGC00255819-01 196701443 tox21-ror-cho-viability-p1 set1 4 61.130564862 13.4360861639 -3.4360861639 10 4.9549173134 0.4705768432 0.2060953371 -0.84914099 -0.91138235 -0.5195009 -8.22997673 -2.96511759 -7.11383865 -2.26595272 -9.94673847 -0.62286871 -4.59328047 -3.1617061 2.54830826 -5.4044563 -1.90931354 8.59320787 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 589-68-4 79050 144211824 A A Tetradecanoic acid, 2,3-dihydroxypropyl ester OCC(O)COC(=O)CCCCCCCCCCCCC Tox21_301507 -NCGC00255249-01 196701445 tox21-ror-cho-viability-p1 set1 4 1.70594473 1.44808539 3.31009978 -2.373766 2.18325524 1.12311335 0.94168975 7.04545174 -0.00366879 4.86264373 0.7243822 4.32001055 -1.44988987 0.37973059 -0.01749701 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88107-10-2 3969 144212729 A A Tomelukast CC(=O)c2ccc(OCCCCc1nnnn1)c(CCC)c2O Tox21_302412 -NCGC00257713-01 196729367 tox21-ror-cho-viability-p1 set3 4 3.82336167 0.56862374 0.77301651 2.03086838 1.14771418 -1.0795719 3.75930587 -1.68065165 -1.72413079 -0.30861511 -1.82730681 2.39616389 0.22482105 -3.08987071 -2.55470073 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041229999999 0.00009218 98-83-9 7407 144207357 AC F alpha-Methylstyrene C=C(C)c1ccccc1 Tox21_200159 -NCGC00257785-01 196729360 tox21-ror-cho-viability-p1 set3 4 0.54623456 -1.01048431 -0.278461 1.53424193 -2.13615825 -0.98556946 2.01653235 -6.83503254 0.03013003 -0.24625449 -2.3000991 -1.9099435 2.14200763 0.93453109 1.58644635 1.164E-9 2.602E-9 5.818E-9 1.301E-8 2.909E-8 6.5049999999E-8 1.4549999999E-7 3.252E-7 7.2729999999E-7 0.0000016259999999 0.000003636 0.000008131 0.00001818 0.000040659999999 0.00009091 127-48-0 5576 144207429 A A Trimethadione CN1C(=O)OC(C)(C)C1=O Tox21_200231 -NCGC00258105-01 196729363 tox21-ror-cho-viability-p1 set3 4 -6.33058933 -9.66911056 -7.27932273 -5.18023129 -6.14726363 -6.06630162 0.21791816 -5.62019721 -4.59071361 -3.96322618 -1.33484825 -0.50702866 -5.94553352 -6.48828041 -12.1476401 1.1919999999E-9 2.6649999999E-9 5.96E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.332E-7 7.45E-7 0.0000016659999999 0.000003725 0.000008329 0.00001862 0.00004164 0.00009312 6521-29-5 23019 144207749 A A Pentylparaben Oc1ccc(cc1)C(=O)OCCCCC Tox21_200551 -NCGC00258415-01 196729366 tox21-ror-cho-viability-p1 set3 4 4.69643679 1.97865626 1.97416514 4.54935439 -1.78079799 0.52116036 1.79568766 0.90921776 2.78489875 -0.36347724 0.91705842 -0.35914998 2.06366643 2.62534694 1.05020773 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.481E-7 3.311E-7 7.4029999999E-7 0.000001655 0.000003701 0.0000082769999999 0.00001851 0.00004138 0.00009253 141-24-2 5354133 144208059 A A Methyl ricinoleate O=C(CCCCCCC/C=C\C[C@H](O)CCCCCC)OC Tox21_200861 -NCGC00258273-01 196729374 tox21-ror-cho-viability-p1 set3 4 0.76791582 0.36895734 5.4502104 7.28281836 3.93955508 4.83379352 0.96300201 8.71921072 9.45306557 -0.96090155 0.11465684 6.30565581 7.49530724 -4.45847157 2.35474515 1.189E-9 2.66E-9 5.9469999999E-9 1.3299999999E-8 2.9739999999E-8 6.649E-8 1.487E-7 3.325E-7 7.4339999999E-7 0.000001662 0.0000037169999999 0.000008312 0.00001859 0.00004156 0.00009293 103-83-3 7681 144207917 A Ac N,N-Dimethylbenzylamine CN(C)Cc1ccccc1 Tox21_200719 -NCGC00257722-01 196729380 tox21-ror-cho-viability-p1 set3 4 -2.1372461 -0.22193536 -2.696375 -1.7588536 -1.76930504 -3.76982024 0.91060146 -4.49694498 -4.10379375 0.99629808 0.3151395 3.22698491 0.21604713 -2.20648363 0.45705571 7.952E-10 1.778E-9 3.976E-9 8.891E-9 1.9879999999E-8 4.445E-8 9.94E-8 2.223E-7 4.97E-7 0.000001111 0.000002485 0.000005557 0.00001242 0.000027779999999 0.00006212 76150-91-9 5382 144207366 AC A 1,4-Bis[2-(3,5-dichloropyridyloxy)]benzene Clc3cc(Cl)cnc3Oc1ccc(cc1)Oc2ncc(Cl)cc2Cl Tox21_200168 -NCGC00090789-02 196730195 tox21-ror-cho-viability-p1 set3 4 8.12488519 1.77123772 0.83013303 -3.14467756 5.02341703 -1.82501237 0.04315046 3.67928948 2.70420281 -0.70139836 0.11262181 -0.18642193 2.99869705 2.87828702 7.4498668 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00258109-01 196730201 tox21-ror-cho-viability-p1 set3 2.2 45.512444705 71.6296314707 -2.8618777639 68.7677537068 1.98874246 0.976024933 1.35E-7 -2.43242308 -1.920919 -2.77372839 -0.07445082 -5.48126312 -3.4391796 -4.49401302 -4.13931037 -2.80012067 -0.10765667 -6.96823147 4.64759895 5.52503615 24.94909648 54.67426834 1.118E-9 2.5E-9 5.59E-9 1.25E-8 2.795E-8 6.249E-8 1.397E-7 3.1249999999E-7 6.987E-7 0.000001562 0.000003493 0.000007812 0.000017469999999 0.00003906 0.00008734 2081-08-5 608116 144207753 A A Bisphenol E CC(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_200555 -NCGC00258117-01 196730202 tox21-ror-cho-viability-p1 set3 4 6.65034051 5.84767124 6.60766987 5.931171 0.34098948 3.42903545 0.99017937 1.9945723 1.9243766 1.75481352 0.28511501 3.47813784 1.6849071 3.93397947 0.3998528 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 87-81-0 2724552 144207761 D D-Tagatose O[C@H]1[C@@H](O)[C@H](O)CO[C@@]1(O)CO Tox21_200563 -NCGC00257716-01 196730209 tox21-ror-cho-viability-p1 set3 4 1.37845024 2.01265218 0.58813692 -0.91060543 1.06796192 2.44893411 1.61669106 0.57823901 3.07602816 -1.23718433 2.26563776 -1.71423113 -3.27307253 -3.14452905 -4.29033196 1.1699999999E-9 2.6159999999E-9 5.85E-9 1.3079999999E-8 2.925E-8 6.54E-8 1.462E-7 3.27E-7 7.3119999999E-7 0.000001635 0.000003656 0.000008176 0.00001828 0.00004088 0.00009141 105-45-3 7757 144207360 A Ac Methyl acetoacetate CC(=O)CC(=O)OC Tox21_200162 -NCGC00257667-01 196730604 tox21-ror-cho-viability-p1 set3 4 0.14745073 1.81480535 1.21311207 0.51513171 0.15121159 -6.99738884 0.37617756 0.49183691 3.18451575 6.36061528 -1.09860905 -0.20776111 0.30875933 -0.1488423 -1.39278211 1.21E-9 2.7049999999E-9 6.0499999999E-9 1.353E-8 3.0249999999E-8 6.764E-8 1.512E-7 3.382E-7 7.562E-7 0.000001691 0.000003781 0.000008455 0.00001891 0.00004227 0.000094529999999 542-10-9 222536 144207311 A A 1,1-Ethanediol diacetate CC(=O)OC(C)OC(=O)C Tox21_200113 -NCGC00258035-01 196730606 tox21-ror-cho-viability-p1 set3 4 -3.4862429 -3.54939823 -2.29596136 -7.65778952 -4.13813056 -8.03932201 -2.37939879 -3.26900205 -2.58206106 -4.30931095 -2.509726 -3.14117118 0.39034011 -0.06300586 1.55973866 1.162E-9 2.599E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.000003632 0.0000081199999999 0.00001816 0.0000406 0.00009079 333-20-0 516872 144207679 Potassium thiocyanate [K+].[S-]C#N Tox21_200481 -NCGC00259216-01 196709578 tox21-ror-cho-viability-p1 set2 4 -0.74905351 1.97301083 0.93975809 0.54243831 1.29405275 1.54185181 0.5914022 1.63051302 -0.93241177 1.4788676 -0.11058967 0.47259424 -0.35759211 -0.12776332 -2.37314127 1.163E-9 2.601E-9 5.817E-9 1.301E-8 2.908E-8 6.503E-8 1.454E-7 3.252E-7 7.2709999999E-7 0.0000016259999999 0.0000036349999999 0.000008129 0.00001818 0.00004064 0.00009088 93-65-2 7153 144208865 A A Mecoprop Clc1cc(C)c(OC(C)C(=O)O)cc1 Tox21_201667 -NCGC00090965-04 196708756 tox21-ror-cho-viability-p1 set2 4 -2.08682948 -3.42762335 -2.26597225 -1.73065323 -3.22541819 -2.27685289 -1.84011663 -4.23795687 -3.01046953 -4.10009307 -1.6614661 -1.93563335 -3.78321241 -3.48851416 -1.98367709 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00259156-01 196709159 tox21-ror-cho-viability-p1 set2 4 -3.55200136 -1.90704747 -4.10950794 -12.00325804 -2.23452222 -2.80287163 -3.78624977 0.61412806 -6.33760339 -2.32568445 -6.03162314 -0.17076797 -4.55413184 -2.66004496 1.35336579 1.189E-9 2.658E-9 5.9439999999E-9 1.3289999999E-8 2.9719999999E-8 6.6449999999E-8 1.486E-7 3.323E-7 7.4299999999E-7 0.0000016609999999 0.0000037149999999 0.000008307 0.00001857 0.00004153 0.00009287 52-68-6 5853 144208805 A A Trichlorfon OC(C(Cl)(Cl)Cl)P(=O)(OC)OC Tox21_201607 -NCGC00259903-01 196709167 tox21-ror-cho-viability-p1 set2 -2.2 48.3602777053 -42.3800663892 -1 -43.3800663892 2.4063783767 0.9777097289 8.91E-8 -0.00331547 -2.300592 -2.81358928 -0.8037821 -0.91105356 -1.16181904 -1.02989094 -2.10673865 -0.66973974 -0.68987174 0.97784083 -0.96991503 -0.75089173 -19.42852775 -35.51520181 1.1759999999E-9 2.63E-9 5.8799999999E-9 1.315E-8 2.94E-8 6.574E-8 1.4699999999E-7 3.2869999999E-7 7.35E-7 0.0000016439999999 0.0000036749999999 0.000008218 0.000018379999999 0.00004109 0.00009188 5153-25-3 107377 144209552 A A 2-Ethylhexylparaben Oc1ccc(cc1)C(=O)OCC(CC)CCCC Tox21_202354 -NCGC00258863-01 196709581 tox21-ror-cho-viability-p1 set2 4 -2.47439546 1.77869391 -1.08666541 0.50943487 -1.7267979 -1.64565595 -2.6697743 -2.33686909 0.04593621 0.80290621 -0.71986679 -1.87684382 0.93238012 1.70053065 3.19497088 1.154E-9 2.5799999999E-9 5.7689999999E-9 1.29E-8 2.885E-8 6.45E-8 1.4419999999E-7 3.225E-7 7.211E-7 0.0000016129999999 0.000003606 0.000008063 0.00001803 0.00004031 0.00009014 120-82-1 13 144208509 A Ac 1,2,4-Trichlorobenzene Clc1cc(Cl)c(Cl)cc1 Tox21_201311 -NCGC00255447-01 196709981 tox21-ror-cho-viability-p1 set2 4 0.40104619 -2.10929659 -7.54322945 -7.2654831 -2.48037617 -0.25401543 -7.45852145 -6.68526652 -3.65182332 -0.53222253 -0.06236306 -0.98072176 -0.85321171 -6.183108 -14.0813288 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1982-47-4 16115 144212219 A A Chloroxuron Clc2ccc(Oc1ccc(NC(=O)N(C)C)cc1)cc2 Tox21_301902 -NCGC00255832-01 196709991 tox21-ror-cho-viability-p1 set2 4 -4.34846715 3.2929517 -0.24930304 0.70414351 1.74074101 0.3215663 0.32585472 1.51848727 0.61129 0.52858946 0.68322756 0.15699328 0.84165931 0.89317909 1.2746132 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-13-4 2723631 144211708 A A N,N'-Dimethylthiourea CNC(=S)NC Tox21_301391 -NCGC00255392-01 196709996 tox21-ror-cho-viability-p1 set2 4 0.30789156 -3.08962891 -0.93906431 -0.63566406 -0.29973429 0.03081074 -0.17476552 -0.16275694 0.38840192 -0.86646754 0.74851705 0.87557873 5.24100411 1.77573137 5.09635595 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56038-89-2 91984 144212127 A Fc N-(1-Ethylpropyl)-3,4-xylidine CCC(CC)Nc1cc(C)c(C)cc1 Tox21_301810 -NCGC00255514-01 196710002 tox21-ror-cho-viability-p1 set2 -1.1 21.6899429044 -79.0063862067 -1.724419842 -80.7308060487 2.5334283767 0.9919854553 2E-10 -5.29723301 0.7259475 -1.1388869 0.09319362 0.46101419 0.21432829 -0.89965849 -3.26571185 0.241524 -5.89104475 -4.17306708 -9.50649858 -32.08907922 -70.62711197 -76.51825092 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 39300-45-3 53249535 144212534 C D Dinocap O=C(Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)CCCCCC(C)C)\C=C\C Tox21_302217 -NCGC00255318-01 196710821 tox21-ror-cho-viability-p1 set2 4 2.75663562 0.90639644 0.55982281 1.72943278 1.37243265 2.44655672 -1.18314975 1.63198023 2.7466747 2.45133667 1.203162 1.90373471 1.05198808 2.84637767 2.29745939 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2244-21-5 23665761 144212740 Potassium dichloroisocyanurate [K+].ClN1C([O-])=NC(=O)N(Cl)C1=O Tox21_302423 -NCGC00255796-01 196710835 tox21-ror-cho-viability-p1 set2 -1.1 4.8557733675 -90.6936438623 -3.3609770329 -94.0546208952 0.8999999999 0.9857155083 6.7E-9 -4.64098718 -0.91433935 -2.25822788 -2.33935932 -6.77142336 -0.59292349 -11.24211694 -17.40381699 -13.50087553 -28.93761813 -39.33093816 -57.29303774 -77.76346482 -87.08761194 -82.8517498 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7774-29-0 181518 144211912 Mercury(II) iodide [Hg+2].[I-].[I-] Tox21_301595 -NCGC00255136-01 196710837 tox21-ror-cho-viability-p1 set2 -2.2 48.5577336745 -72.4926464434 -0.325754371 -72.8184008144 1.34431 0.9108347164 0.000180355 -9.30015839 -0.40165789 2.33451279 -1.33777203 -0.1039492 2.3103665 -2.18819876 0.58323201 2.17826909 0.45756194 -0.83207343 -4.23063794 -23.76870751 -22.24364714 -55.92303092 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63675-72-9 4499 144212682 A A Nisoldipine CC=1NC(C)=C(C(C=1C(=O)OCC(C)C)c2ccccc2[N+]([O-])=O)C(=O)OC Tox21_302365 -NCGC00260013-01 196709612 tox21-ror-cho-viability-p1 set2 4 -2.94616055 -1.84032661 -0.75169143 -2.13562737 -2.94750964 -2.84092303 -1.26556054 -2.58750103 -0.24129702 -1.71872993 0.42836619 -0.68140534 -1.30343422 -0.85202034 -3.75386865 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6239999999E-8 1.481E-7 3.312E-7 7.405E-7 0.000001656 0.0000037029999999 0.000008279 0.00001851 0.0000414 0.000092569999999 3160-37-0 18480 144209662 A A Piperonal acetone CC(=O)C=Cc1ccc2OCOc2c1 Tox21_202464 -NCGC00091011-05 196721080 tox21-ror-cho-viability-p1 set3 1.1 27.3060203028 74.0407028899 -3.029799716 71.0109031739 4.0949729863 0.9874106828 3.2E-9 -5.02495201 -2.45144114 -1.40507502 -3.97612256 -8.35816643 -7.75622142 -2.16358528 -2.74224311 -5.63281242 1.01186569 0.33538352 0.16207258 10.10270234 60.5234201 69.8857733 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00254634-01 196720669 tox21-ror-cho-viability-p1 set3 4 13.6854287769 19.56588924 -9.56588924 10 0.5 0.5488713812 0.1364614352 -8.48622389 -20.0549077 -5.96651296 -3.42098484 -8.49040244 -9.21257091 -2.31965318 -5.32065629 -14.03459537 -1.3286296 -3.8809107 -0.97131571 -0.90344667 3.71643692 6.08323619 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1000-05-1 6328651 144211045 D 1,1,3,3,5,5,7,7-Octamethyltetrasiloxane C[SiH](C)O[Si](C)(C)O[Si](C)(C)O[SiH](C)C Tox21_300728 -NCGC00254743-01 196720682 tox21-ror-cho-viability-p1 set3 4 11.27008927 5.24905381 6.33918349 5.03095178 -0.4000581 7.71857069 5.04641185 3.32755976 7.90817674 -2.84989105 13.16558565 11.4547026 6.05738538 2.31801528 -3.06205795 5.869E-10 1.312E-9 2.935E-9 6.5619999999E-9 1.467E-8 3.281E-8 7.3359999999E-8 1.64E-7 3.668E-7 8.202E-7 0.000001834 0.000004101 0.0000091709999999 0.00002051 0.000045849999999 62-73-7 3039 144211157 CC Dichlorvos COP(=O)(OC)O\C=C(\Cl)Cl Tox21_300840 -NCGC00254574-01 196720686 tox21-ror-cho-viability-p1 set3 4 0.0096885416 8.8692082199 -9.8692082199 -1 0.7999999999 0.3512147812 0.320157488 -5.65384041 -12.39100685 -2.97431235 -5.65190258 -3.47025258 -4.32296205 2.06172101 -2.50152841 -5.43333589 2.98858782 -3.32529187 -6.75761859 3.00128254 2.485067 -2.14908821 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 834-12-8 13263 144210983 A A Ametryn CSc1nc(NCC)nc(NC(C)C)n1 Tox21_300666 -NCGC00259043-01 196721084 tox21-ror-cho-viability-p1 set3 4 -5.62845989 -0.74046269 -2.05120378 -2.16561175 0.33872486 -5.82941107 -4.59520703 -1.52588712 -2.74192532 -5.19911288 -7.17826363 -8.9116047 -6.74800073 -0.6120803 -1.35917705 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004132 0.0000924 106-14-9 7789 144208690 A A 12-Hydroxyoctadecanoic acid O=C(O)CCCCCCCCCCC(O)CCCCCC Tox21_201492 -NCGC00018221-08 196721086 tox21-ror-cho-viability-p1 set3 4 0.0077898933 8.2393829279 -7.7393829279 0.5 4.9549173134 0.5496692663 0.1366484835 -2.91786653 -11.86615244 -6.83815091 1.44063856 3.81431491 0.23410113 1.42630333 -1.73622688 1.39757277 4.99684888 -0.5598513 2.03565376 -4.08801959 -2.05509892 -1.10723488 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00066947-05 196721096 tox21-ror-cho-viability-p1 set3 4 -14.01691351 -10.7115441 -13.17166808 -10.05138629 -8.92261614 -9.63430202 -5.06394794 -11.71158229 -15.70080416 -8.95790994 -12.50873348 -10.22102102 -10.01724488 -5.04106469 -15.90339259 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00259537-01 196721476 tox21-ror-cho-viability-p1 set3 4 11.0478410084 15.9159627519 -7.9159627519 8 0.3 0.4110145344 0.2620611557 -4.9227793 -13.67996896 0.74013807 -11.48336514 -3.73278178 -0.86986372 -4.91485581 -3.90277226 -2.44054788 -1.31186282 -1.63564532 -5.07804418 -0.97975244 5.72599823 2.8039999 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.000001671 0.000003737 0.000008357 0.00001869 0.000041779999999 0.00009343 5234-68-4 21307 144209186 A A Carboxin O=C(Nc1ccccc1)C=2SCCOC=2C Tox21_201988 -NCGC00091351-03 196719872 tox21-ror-cho-viability-p1 set3 4 0.0113255368 18.038624984 -17.038624984 1 0.4 0.7553010725 0.0180757715 -10.44783412 -14.61552082 -8.51155171 -2.31984524 -7.4661376 -7.68982209 -1.13034643 -4.04487215 -4.24797716 -1.10980156 1.66689024 0.11285579 0.82665907 -1.36140901 1.85624526 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00257287-01 196719027 tox21-ror-cho-viability-p1 set2 4 -0.17990345 -2.66214274 -2.33787813 -5.22001489 -0.32326086 -6.89861679 -0.2474862 -2.68191818 -9.95328918 -6.37284235 -3.55080706 -3.91980973 -2.49007282 -3.75954282 -2.87956936 1.063E-9 2.377E-9 5.316E-9 1.189E-8 2.6579999999E-8 5.943E-8 1.3289999999E-7 2.971E-7 6.6439999999E-7 0.0000014859999999 0.0000033219999999 0.0000074289999999 0.00001661 0.00003714 0.00008305 53-70-3 5889 144213892 F F Dibenz(a,h)anthracene c1c4c5ccccc5ccc4cc3c1ccc2ccccc23 Tox21_303587 -NCGC00257170-01 196719448 tox21-ror-cho-viability-p1 set2 -2.1 61.130564862 -107.3079291339 0.2200832639 -107.08784587 2.9522712143 0.988049559 2.4E-9 -1.66433954 0.61557946 0.69914932 -0.04936025 0.79222682 -2.42152055 0.06624122 4.39741824 1.04359069 0.37573133 0.37265622 -0.43374024 -9.14378274 -22.17743098 -83.40174912 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 95-32-9 7231 144213595 B Fc 2-(Morpholin-4-yldithio)-1,3-benzothiazole c1cccc2sc(nc12)SSN3CCOCC3 Tox21_303278 -NCGC00357148-01 196703099 tox21-ror-cho-viability-p1 set1 -2.1 30.6378586933 -77.4910217512 0.0637539089 -77.4272678423 1.4780888099 0.9605827199 0.0000022566 3.45337479 -0.22487351 -2.87828544 0.50053614 -2.313539 2.41185036 1.77312064 -0.00606174 3.10158789 0.13582944 -3.00838625 -14.19288703 -27.584172 -39.02657678 -75.90908612 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6358-53-8 9570225 251919677 A C.I. Solvent Red 80 COc3ccc(cc3/N=N/c1c2ccccc2ccc1O)OC Tox21_303891 -NCGC00258385-01 196702283 tox21-ror-cho-viability-p1 set1 4 3.29701677 2.54139309 0.80553879 3.74256912 0.32566166 0.11593275 1.79929656 4.50879582 11.52136232 0.51144027 1.26080991 3.98209385 7.3591459 0.65144668 3.04039862 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.299E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.00001844 0.00004124 0.00009222 26675-46-7 3763 144208029 A Isoflurane FC(F)(F)C(Cl)OC(F)F Tox21_200831 -NCGC00258630-01 196702682 tox21-ror-cho-viability-p1 set1 4 6.5116962246 5.41829704 0.58170296 6 4.9549173134 0.4590460299 0.2360213406 -1.19670743 4.19222961 -0.27101615 -1.14721047 0.04187368 0.51406649 -0.47431475 4.16002461 -0.23090354 2.86132269 -3.6819142 6.0610634 3.83640591 6.7768881 0.16435082 1.1299999999E-9 2.5259999999E-9 5.648E-9 1.263E-8 2.824E-8 6.3149999999E-8 1.412E-7 3.1569999999E-7 7.0599999999E-7 0.0000015789999999 0.0000035299999999 0.000007894 0.00001765 0.00003947 0.000088249999999 147-47-7 8981 144208275 A Ac 1,2-Dihydro-2,2,4-trimethylquinoline CC2=CC(C)(C)Nc1ccccc12 Tox21_201077 -NCGC00091839-03 196702688 tox21-ror-cho-viability-p1 set1 4 0.0096885416 -6.2616051519 -0.5 -6.7616051519 4.0949729863 0.3492778882 0.3223427392 -1.48416578 0.2285942 -1.36425446 -5.64618783 -5.44719337 -4.3169784 -8.38470492 -10.59869571 -6.88717275 -4.76877706 -1.93313216 -4.41214371 -2.08520324 -9.35730093 -14.38467096 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00260187-01 196703102 tox21-ror-cho-viability-p1 set1 4 0.6206424639 -18.68530838 1.726874816 -16.958433564 0.2 0.3120858316 0.3716106249 -3.66313982 -0.22760432 -2.49645212 -1.14018597 -15.38202797 -0.87116336 -4.83052398 -13.27399754 -2.15627366 -10.83719689 -8.32077444 -7.23423228 -11.1473381 -12.32263944 -2.29733811 1.195E-9 2.671E-9 5.973E-9 1.336E-8 2.986E-8 6.678E-8 1.493E-7 3.3389999999E-7 7.466E-7 0.000001669 0.000003733 0.000008347 0.00001866 0.00004174 0.00009332 342573-75-5 12095229 144209837 A Ac 1-Ethyl-3-methylimidazolium ethyl sulfate C[n+]1ccn(CC)c1.[O-]S(=O)(=O)OCC Tox21_202639 -NCGC00257938-01 196703107 tox21-ror-cho-viability-p1 set1 -2.1 15.3865400603 -59.8567547859 -9.135888864 -68.9926436499 0.8999999999 0.903479753 0.0002693344 -2.69291249 -4.51779558 -4.91073739 -11.17519673 -16.88944063 -21.57579725 -14.12818015 -9.32415312 -12.21880668 -10.5164371 -20.73205152 -35.07730205 -44.69654986 -44.91422343 -61.73685125 1.182E-9 2.6429999999E-9 5.9109999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.304E-7 7.3889999999E-7 0.0000016519999999 0.0000036939999999 0.000008261 0.000018469999999 0.000041299999999 0.000092359999999 97-18-7 2406 144207582 A A Bithionol Oc2c(Sc1cc(Cl)cc(Cl)c1O)cc(Cl)cc2Cl Tox21_200384 -NCGC00260628-01 196703112 tox21-ror-cho-viability-p1 set1 4 4.93564839 6.82074422 -0.34719815 2.57582917 1.73539821 -0.15983745 4.87843419 5.76032906 5.09570401 1.68426544 -0.32933665 1.94619876 0.13969801 0.59906144 7.63427267 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49524 144210281 M M NTP Mix104 ER1 10-EQC Tox21_203083 -NCGC00260229-01 196703519 tox21-ror-cho-viability-p1 set1 4 -1.22565954 -5.08899384 -5.96453555 2.1857037 1.38555817 -5.23870195 -7.33284801 -4.78789503 3.02145399 -0.01690014 -0.73465719 1.27634015 -0.17753275 -5.75123399 -3.68869079 1.182E-9 2.6429999999E-9 5.91E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.304E-7 7.387E-7 0.0000016519999999 0.000003693 0.000008259 0.000018469999999 0.00004129 0.00009234 125652-55-3 19876500 144209879 A Z 1-Butyl-3-methylpyridinium chloride [Cl-].Cc1ccc[n+](CCCC)c1 Tox21_202681 -NCGC00357180-01 196703923 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -14.960202328 0.5 -14.460202328 4.9549173134 0.4335390043 0.2411061218 0.22115245 1.59511526 1.99047356 -0.17885571 -7.14147677 1.29472313 8.02960243 1.04508793 0.07366886 1.13584259 -4.01735201 -0.13663545 1.90431675 -0.21448284 -10.38350194 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139968-49-3 11614934 251919751 F Metaflumizone FC(F)(F)Oc1ccc(cc1)NC(=O)N\N=C(/Cc2ccc(C#N)cc2)c3cccc(c3)C(F)(F)F Tox21_303944 -NCGC00255388-01 196700641 tox21-ror-cho-viability-p1 set1 4 0.57516496 -0.938465 -3.95662573 -1.60044557 -3.45019968 -1.15716244 -3.5592787 -1.74241481 -0.63806302 -0.22754881 0.28970353 -0.45609017 0.84684 -0.85598723 -1.70514219 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 116255-48-2 3444 144212751 I I Bromuconazole BrC2CC(Cn1cncn1)(OC2)c3ccc(Cl)cc3Cl Tox21_302434 -NCGC00255219-01 196700211 tox21-ror-cho-viability-p1 set1 -2.1 31.2815587297 -95.2262711146 1.4740051879 -93.7522659267 2.2526478767 0.994820297 0 3.62944363 1.44910636 0.78656291 1.55347917 0.67417353 -0.54266511 2.58583755 -1.10467265 0.04116047 3.31678191 1.08314609 -0.70612315 -11.87133853 -54.8518702 -81.63050449 9.9099999999E-10 2.2159999999E-9 4.955E-9 1.1079999999E-8 2.477E-8 5.5399999999E-8 1.239E-7 2.77E-7 6.194E-7 0.0000013849999999 0.0000030969999999 0.000006925 0.00001548 0.00003462 0.00007742 50-41-9 60974 144212192 A I Clomiphene citrate (1:1) O=C(O)C(O)(CC(=O)O)CC(=O)O.CCN(CCOc1ccc(cc1)C(c2ccccc2)=C(Cl)c3ccccc3)CC Tox21_301875 -NCGC00255354-01 196700622 tox21-ror-cho-viability-p1 set1 -1.1 9.6885416101 -84.0138450394 2.1113499064 -81.902495133 0.9999999999 0.9814673845 3.05E-8 4.61291842 0.78528058 1.72189252 2.32043508 -0.46643684 0.53030249 1.1422555 0.97270335 -0.33130992 -10.82158345 -29.48034853 -31.01893112 -47.73179421 -71.88947398 -73.16008345 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122453-73-0 91778 144211896 A A Chlorfenapyr CCOCn1c(c(C#N)c(Br)c1C(F)(F)F)c2ccc(Cl)cc2 Tox21_301579 -NCGC00260411-01 196712067 tox21-ror-cho-viability-p1 set2 4 0.8532609979 9.6491829399 -0.1491829399 9.5 2.4063783767 0.6493497479 0.0764882535 -0.56748734 4.33184193 -0.82860429 -1.56474852 -2.20765245 -0.47842381 -0.39720667 3.03255693 -0.68090732 5.57953376 5.65216946 17.10213619 5.90864145 7.4012772 3.46669471 5.969E-10 1.335E-9 2.9849999999E-9 6.674E-9 1.4919999999E-8 3.3369999999E-8 7.462E-8 1.6679999999E-7 3.7309999999E-7 8.342E-7 0.000001865 0.000004171 0.0000093269999999 0.00002086 0.00004664 693-67-4 12744 144210063 F Fns 1-Bromoundecane BrCCCCCCCCCCC Tox21_202865 -NCGC00260623-01 196711654 tox21-ror-cho-viability-p1 set2 4 -4.17691578 -2.63101503 -1.59543976 -3.34297975 -1.44741035 -0.77409893 -0.71876061 -4.64942114 1.01722126 -0.86970434 -1.77500841 -1.55763354 -4.99212498 -2.36586822 -6.58161497 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49519 144210276 M M NTP Mix98 ER1 10-EQC Tox21_203078 -NCGC00357239-01 196712066 tox21-ror-cho-viability-p1 set2 4 0.40008213 0.59999545 -1.99542826 -2.11335266 -5.07246785 -3.34585079 -3.25252458 -1.24796255 -0.28308957 -3.18359082 2.82838895 -2.67988251 -2.73277143 -0.39022763 -3.79897856 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-09-4 1032 251919690 A Propionic acid CCC(=O)O Tox21_304030 -NCGC00091839-03 196712086 tox21-ror-cho-viability-p1 set2 4 43.2771256911 -15.917716728 -2 -17.917716728 1.0999999999 0.4715179734 0.2048252762 -0.16260024 0.87803215 -0.54877743 -1.87236849 -1.21256114 -0.61381822 -11.47921144 -1.75309732 -3.25018742 -0.54392644 2.80566414 -10.01888427 -2.43536996 -11.40111112 -13.26476394 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00183853-01 196712478 tox21-ror-cho-viability-p1 set2 4 1.22413457 -1.11098892 0.32236737 -0.08999672 2.49842393 0.62675002 4.06208768 -2.20945044 -1.39014967 1.98783999 2.38568618 4.36549121 2.45632306 0.04722969 2.02263722 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 89419-40-9 4257 144206880 A A Mosapramine Clc5ccc6CCc1ccccc1N(CCCN2CCC4(CC2)C(=O)NC3CCCCN34)c6c5 Tox21_113329 -NCGC00090965-04 196712477 tox21-ror-cho-viability-p1 set2 4 54.4826732819 -19.9063165239 -2 -21.9063165239 2.2526478767 0.8354224759 0.0034664103 -6.31292207 -3.89070147 -2.85098386 -3.30761732 -0.7591255 -0.60176455 -4.25964155 -1.58228365 -1.86359118 -1.3153567 0.52397264 0.13452977 -3.20811531 -9.58903319 -17.00526377 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00072886-03 196712482 tox21-ror-cho-viability-p1 set2 4 -0.68624397 0.01838783 -3.03483577 -0.06352892 0.1220633 -4.39863357 1.23080246 0.49799985 -3.1229763 -0.61279423 -3.57564275 1.91069295 1.24414401 4.49536178 0.86566482 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54188-38-4 68713 170466367 Ac Metralindole COc1cc4c(cc1)n3CCN(C)C2=NCCc4c23 Tox21_110986_1 -NCGC00164353-05 196712487 tox21-ror-cho-viability-p1 set2 4 -6.36915398 -3.04550884 -0.78364913 -3.79974427 -6.31416033 -0.11582531 -2.26979717 -1.39110192 -1.75473662 -1.80538219 0.70429735 -2.6249971 -2.69494938 0.67419704 -0.63022009 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 608-66-2 11850 170465565 Z Mannitol O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)CO Tox21_111644_1 -NCGC00255673-01 196710861 tox21-ror-cho-viability-p1 set2 4 1.01067685 -1.0406786 0.05145333 -1.79982305 0.1599744 -0.86803955 0.08363674 1.21440507 -0.72343481 0.86469296 1.07564696 0.02749115 -0.09115926 1.45530267 -0.08800339 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26259-45-0 33443 144211736 A A Secbumeton COc1nc(NCC)nc(NC(C)CC)n1 Tox21_301419 -NCGC00095042-06 196710843 tox21-ror-cho-viability-p1 set2 4 64.4400237781 13.0065090999 -1.5065090999 11.5 3.2974983358 0.7847013575 0.0110953254 1.2088401 -1.19594095 -0.41063477 -1.34193422 -3.29319932 -1.72657666 0.07819261 -0.52347771 -2.42088013 -3.75542425 -0.71391343 -2.79593184 0.64520085 1.01273761 8.95005777 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00256013-01 196710847 tox21-ror-cho-viability-p1 set2 4 -2.37490565 -5.34324394 -6.90814582 -2.44229233 -5.87852632 -2.21277958 1.35842994 -1.60091254 -0.71630855 -4.18685905 -1.91233806 -0.28833704 -4.71398941 0.19309584 -4.3815327 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3027-21-2 18193 144211560 F F Dimethoxy(methyl)phenylsilane CO[Si](C)(OC)c1ccccc1 Tox21_301243 -NCGC00262579-02 196722708 tox21-ror-cho-viability-p1 set3 2.2 26.6032120037 70.6465342773 2.567052651 73.2135869283 1.21 0.8403814748 0.002980149 -1.89608893 0.48243355 0.8393818 4.10593771 1.05144555 0.39678745 2.17656355 2.51375325 9.12064708 9.48502513 17.01791029 -4.51622503 18.11977019 25.66933589 55.75332123 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 96036-03-2 441130 170464676 D Meropenem O[C@H](C)[C@H]3C(=O)N2C(=C(S[C@H]1C[C@H](NC1)C(=O)N(C)C)[C@H](C)[C@@H]23)C(=O)O Tox21_110715_1 -NCGC00164534-02 196722704 tox21-ror-cho-viability-p1 set3 2.4 21.1316824289 27.75422416 2.24577584 30 0.9999999999 0.8693017033 0.0011922823 2.41185187 5.07053918 2.12326167 0.53329379 0.97093673 -1.0451868 -0.73986649 1.41398591 5.80671337 6.12460384 5.47868737 9.0258751 7.0954307 14.77679086 24.06406019 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98-67-9 4765 170465916 Ac 4-Phenolsulfonic acid Oc1ccc(cc1)S(O)(=O)=O Tox21_112165_1 -NCGC00015036-11 196722710 tox21-ror-cho-viability-p1 set3 4 33.4914596268 30.346789212 1.653210788 32 4.9549173134 0.5961720348 0.0995638899 7.64775198 -5.07056818 1.23066963 7.37985239 7.20184558 5.4535207 6.44990975 5.70260503 0.55362935 -9.03899101 2.57949721 -7.3201353 3.48956181 2.34936839 27.36015477 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 768-94-5 2130 170464860 A Amantadine hydrochloride NC13CC2CC(CC(C1)C2)C3 Tox21_110068_1 -NCGC00164164-02 196722711 tox21-ror-cho-viability-p1 set3 4 0.0017228934 16.21763202 -14.71763202 1.5 4.5044702849 0.5414449597 0.1431274557 -12.26469335 -0.51837799 0 0 0 -3.64679419 -2.58111477 -0.05942935 7.03057986 3.04561162 5.45157257 3.49810571 -1.20058575 1.36759649 7.90772105 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00091086-02 196723109 tox21-ror-cho-viability-p1 set3 4 61.130564862 32.1544295239 -0.1544295239 32 1.21 0.6458877043 0.0665147606 -0.48650573 -2.24255863 6.70964685 2.20211766 -6.26814931 -6.31608652 -6.37869127 -2.41319994 6.77839278 2.79820686 6.81708258 0.9343304 5.10699644 7.91530265 24.56819623 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00015655-09 196723118 tox21-ror-cho-viability-p1 set3 4 33.4914596268 17.400596172 0.599403828 18 4.9549173134 0.7291206815 0.0266066589 3.10363459 3.24131718 -1.87281702 -1.8232873 0.55527517 -3.25049681 4.06875934 1.69591355 1.8532399 1.69650539 3.35298601 -1.00226076 0.16306327 -0.71872818 15.65118115 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5874-97-5 441333 170466142 Z Orciprenaline sulfate Oc1cc(cc(O)c1)C(O)CNC(C)C.O=S(=O)(O)O.CC(C)NCC(O)c1cc(O)cc(O)c1 Tox21_110551_1 -NCGC00017324-07 196723122 tox21-ror-cho-viability-p1 set3 -1.2 5.3080386368 -38.0958861126 -1.5006787729 -39.5965648855 1.826479391 0.8913690694 0.023661541 -23.30346197 -1.36339082 0 -16.79995753 0 0 0 -2.32213438 3.56999615 0.03051807 -4.82100527 -14.16131481 -32.44928572 -36.43679158 -36.10706404 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79902-63-9 54454 170464984 A Simvastatin CC(C)(CC)C(=O)O[C@H]2C[C@@H](C)C=C3C=C[C@H](C)[C@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@@H]23 Tox21_110696_1 -NCGC00259061-01 196721516 tox21-ror-cho-viability-p1 set3 4 30.70018354 7.002689756 -4.502689756 2.5 4.9549173134 0.5147086467 0.1679663715 -1.40858063 -1.19010974 -3.57757762 -3.3246263 -4.27841539 -7.34506313 -6.50333011 -7.91890813 -6.62604703 -2.81104837 -4.83708558 -1.86187924 -5.30340694 2.34559827 1.65750143 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004128 0.00009231 75-99-0 6418 144208708 A A Dalapon CC(Cl)(Cl)C(=O)O Tox21_201510 -NCGC00258964-01 196721116 tox21-ror-cho-viability-p1 set3 4 21.8886121324 5.11777984 -6.11777984 -1 4.9549173134 0.3607599475 0.3130737214 -9.6814832 -5.25500457 0.45837746 -9.25210864 -3.95559805 -7.64558519 -6.87308355 -7.4257797 -7.52553279 -4.60489092 -5.2021301 -7.39958249 -4.98048354 0.52682651 -2.20976695 1.189E-9 2.6589999999E-9 5.945E-9 1.3289999999E-8 2.9719999999E-8 6.647E-8 1.486E-7 3.323E-7 7.4309999999E-7 0.000001662 0.000003716 0.0000083079999999 0.000018579999999 0.00004154 0.00009289 23950-58-5 32154 144208611 A A Propyzamide Clc1cc(cc(Cl)c1)C(=O)NC(C)(C)C#C Tox21_201413 -NCGC00259046-01 196721117 tox21-ror-cho-viability-p1 set3 -3 69.0781761974 -33.454248588 -3 -36.454248588 4.9549173134 0.8559017854 0.0018781483 -6.19726092 -7.47776611 -0.29708828 -4.19246667 2.27553348 -6.39630766 -3.24868629 -5.04005445 -3.16966237 0.90807365 -2.71098516 -1.26901303 -5.88871978 -3.13339283 -30.37854049 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.4829999999E-7 3.317E-7 7.417E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.00004146 0.000092709999999 50-29-3 3036 144208693 A A p,p'-DDT Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl Tox21_201495 -NCGC00258827-01 196721513 tox21-ror-cho-viability-p1 set3 4 21.1396786455 9.6907100999 -5.6907100999 4 4.9549173134 0.4063411144 0.2663199724 -5.52845656 -8.01470699 -4.45406234 5.95744925 -10.57559175 -2.74075904 -10.35503861 -7.39189643 -9.51519405 -7.0547985 -3.24126607 -4.07391367 -3.22655898 5.43937848 2.54878626 1.155E-9 2.583E-9 5.776E-9 1.291E-8 2.8879999999E-8 6.457E-8 1.444E-7 3.229E-7 7.2199999999E-7 0.000001614 0.0000036099999999 0.0000080719999999 0.000018049999999 0.00004036 0.000090239999999 95-87-4 7267 144208473 A A 2,5-Dimethylphenol Cc1cc(O)c(C)cc1 Tox21_201275 -NCGC00258906-01 196721519 tox21-ror-cho-viability-p1 set3 4 -2.24477871 0.03814167 -6.73139246 -6.18938525 -0.40012367 -1.03460313 -1.35793509 -1.30487324 -1.27378234 -8.04471164 -2.56029648 -2.46249083 0.02770969 -2.46583812 -1.88565413 1.2359999999E-9 2.7629999999E-9 6.178E-9 1.381E-8 3.089E-8 6.907E-8 1.545E-7 3.4539999999E-7 7.723E-7 0.000001727 0.000003861 0.000008634 0.000019309999999 0.00004317 0.00009653 126-98-7 31368 144208552 FNS Methacrylonitrile C=C(C)C#N Tox21_201354 -NCGC00258960-01 196705591 tox21-ror-cho-viability-p1 set1 4 4.8854168593 -8.916496028 6 -2.916496028 0.2 0.339729692 0.3354785229 2.19648615 9.72318192 2.78230304 2.00656513 4.96144919 2.17640061 1.42862164 3.04764419 5.78530519 0.32333312 1.54285477 2.12634003 1.18766976 0.55623633 -0.76374669 1.1859999999E-9 2.651E-9 5.928E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009262 333-41-5 3017 144208607 B B Diazinon Cc1cc(OP(=S)(OCC)OCC)nc(n1)C(C)C Tox21_201409 -NCGC00160529-06 196704761 tox21-ror-cho-viability-p1 set1 4 1.02666353 -0.37045795 0.47640878 -2.62640674 -2.19783748 0.9382755 1.09586839 1.27304842 -1.28457003 2.81711164 0.3414759 0.26360987 -1.77998986 1.19740309 2.40124215 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51322-75-9 5487 170465419 A Tizanidine hydrochloride Clc2ccc3nsnc3c2NC1=NCCN1 Tox21_111876_1 -NCGC00182851-02 196705183 tox21-ror-cho-viability-p1 set1 4 0.1883363179 4.751629676 -4.251629676 0.5 3.9294729863 0.5198018133 0.1629986097 -1.86624873 -2.34361829 -6.86976951 -8.08405633 -0.04601382 -2.51886384 -8.54302473 -2.05576583 0.47146097 0.44062793 -0.92595186 -0.2078291 1.20551373 1.19759468 1.47474535 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1247-42-3 5284587 170465165 F Meprednisone OCC(=O)[C@@]3(O)[C@@H](C)C[C@H]2[C@@H]4CCC1=CC(=O)C=C[C@]1(C)[C@H]4C(=O)C[C@@]23C Tox21_113612_1 -NCGC00023016-07 196705188 tox21-ror-cho-viability-p1 set1 4 -12.43865335 -0.37937792 -1.76775957 -2.20416082 1.02571012 -2.23608158 -6.12758847 -2.5598148 -1.75819714 -6.14973133 -2.10875284 -3.28869402 -2.16830446 -3.68221749 1.01740122 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56796-39-5 23666711 170465052 B Cefmetazole sodium [Na+].N#CCSCC(=O)N[C@]3(OC)C(=O)N2C(=C(CSc1nnnn1C)CS[C@@H]23)C([O-])=O Tox21_110788_1 -NCGC00259939-01 196705593 tox21-ror-cho-viability-p1 set1 4 4.62050703 3.49527973 3.07177352 4.3594156 0.7949181 2.11080717 3.69167276 2.35862059 5.63618937 1.0723092 2.30041527 1.59282798 1.19716786 -0.66421589 -1.10046453 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 78-69-3 6548 144209588 A A 3,7-Dimethyl-3-octanol CCC(C)(O)CCCC(C)C Tox21_202390 -NCGC00260492-01 196703127 tox21-ror-cho-viability-p1 set1 4 43.3211400593 -24.045798444 1.5 -22.545798444 2.4063783767 0.9514673564 0.0000072081 1.98669632 1.27759838 2.55399924 3.13494127 1.20490706 0.58035291 0.8069957 2.18709452 0.35366898 2.12900863 -0.74628014 2.3318712 1.82674753 -10.8784772 -18.78816537 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.00000369 0.000008252 0.000018449999999 0.000041259999999 0.00009226 781-73-7 69908 144210144 A A 2-Acetylfluorene CC(=O)c1ccc2c3ccccc3Cc2c1 Tox21_202946 -NCGC00257977-01 196702700 tox21-ror-cho-viability-p1 set1 4 -9.51652145 -0.21890847 -9.05230311 1.01907272 0.00645834 0.11421396 2.66001804 -1.58704811 1.80768551 -0.59388518 -9.78638695 0.27271736 -16.77224607 1.23927492 1.18819227 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 102-82-9 7622 144207621 FNS Tributylamine CCCCN(CCCC)CCCC Tox21_200423 -NCGC00258268-01 196702723 tox21-ror-cho-viability-p1 set1 4 0.0776637266 -5.0653128001 -3.2047837039 -8.270096504 0.7 0.4180657692 0.259703414 -4.98822234 -3.77271785 -5.02004742 -1.00398642 -7.07107988 -6.27540973 -4.70468483 -6.58324035 -7.22331938 -9.25255628 -11.47508042 -4.23972787 -7.8356873 -7.05345335 -9.02737172 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.000092909999999 7795-95-1 82261 144207912 A A 1-Octanesulfonyl chloride ClS(=O)(=O)CCCCCCCC Tox21_200714 -NCGC00163774-04 196702724 tox21-ror-cho-viability-p1 set1 4 -11.53068942 -12.81283209 -14.69477331 -5.6058934 -11.85460502 -2.60881568 -13.30581559 -16.67050897 -5.55147757 -7.64291634 -15.87693908 -14.6553043 -14.40177191 -11.84074029 -14.11165972 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00357040-01 196703133 tox21-ror-cho-viability-p1 set1 4 1.36854886 1.53346337 0.81249788 0.91891746 1.48645549 -5.62586084 3.76780319 5.92222059 6.5653781 -0.07023381 2.51097351 0.67862891 5.26895936 -0.49768046 0.62368857 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 821-48-7 522769 251919952 A Bis(2-chloroethyl)amine hydrochloride Cl.ClCCNCCCl Tox21_303731 -NCGC00090698-04 196703135 tox21-ror-cho-viability-p1 set1 4 2.05053474 -0.60472708 -3.71812173 6.04013198 -4.9932156 -0.37121207 1.80840017 2.13504967 5.31607276 0.90910624 1.27564523 0.14017726 0.29418317 -0.26158806 0.81993153 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00260496-01 196703535 tox21-ror-cho-viability-p1 set1 4 0.46650451 5.25455276 2.42209121 1.77654881 0.44457595 0.27957091 8.17735174 7.10427202 4.40365418 4.81471536 0.24658926 1.37116077 0 0.11729058 4.18466779 1.212E-9 2.709E-9 6.0579999999E-9 1.3549999999E-8 3.029E-8 6.773E-8 1.514E-7 3.386E-7 7.5719999999E-7 0.000001693 0.000003786 0.0000084659999999 0.00001893 0.000042329999999 0.00009465 91-19-0 7045 144210148 A A Quinoxaline c1cccc2nccnc12 Tox21_202950 -NCGC00260088-01 196703543 tox21-ror-cho-viability-p1 set1 4 -4.16346653 -5.11525533 -3.39973234 -4.82688617 -2.003588 -2.00731381 -5.04654181 -5.21820817 -1.70209641 -1.66035002 -1.89797451 -3.092295 -7.65583226 3.09824208 -1.50917182 1.167E-9 2.61E-9 5.836E-9 1.305E-8 2.918E-8 6.524E-8 1.459E-7 3.262E-7 7.294E-7 0.000001631 0.0000036469999999 0.0000081549999999 0.000018239999999 0.00004078 0.00009118 8046-19-3 144209737 F Styrax balsam Tox21_202539 -NCGC00260621-01 196724563 tox21-ror-cho-viability-p1 set3 4 4.10046236 3.93338348 8.6030092 -0.07115416 -2.33426081 4.55114888 2.29188749 0.98578718 -3.89193553 5.34460803 1.93186555 3.37263658 -2.55400871 -2.73279589 13.56088043 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49517 144210274 M M NTP Mix97 ER1 10-EQC Tox21_203076 -NCGC00163736-04 196725718 tox21-ror-cho-viability-p1 set3 4 0 0 4.92263049 7.79340803 -5.31834325 -15.539117 -15.184834 -14.35208189 5.41771181 8.11025474 -14.74880004 -16.14335197 5.2285315 -13.48048534 -13.97546575 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 138261-41-3 86418 170465741 A Imidacloprid [O-][N+](=O)/N=C2\NCCN2Cc1cnc(Cl)cc1 Tox21_111298_1 -NCGC00091839-03 196725727 tox21-ror-cho-viability-p1 set3 -2.4 76.9588215421 -26.587911092 -3.525457184 -30.113368276 3.9294729863 0.8034239731 0.007450633 -9.94648713 -0.55401322 -3.57044002 -2.5811905 -2.99952354 -0.02121432 -2.37316478 -4.93600746 -1.09508623 -3.01421985 -4.90757086 -4.4430801 -2.90607494 -4.8390618 -21.76114023 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00179641-03 196726128 tox21-ror-cho-viability-p1 set3 3 33.4914596268 50.529375436 -2.458630266 48.07074517 4.9549173134 0.9269476399 0.0000643888 -1.26772787 -3.7580889 0.80023636 -0.41474878 0.43606531 -4.5970949 -4.1897392 0.45403629 -9.58056662 -4.03062147 -5.38348808 -2.31237183 2.62569627 -0.81947758 41.18042694 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 532-59-2 10766 170466662 A Amylocaine hydrochloride Cl.CN(C)CC(C)(OC(=O)c1ccccc1)CC Tox21_110455_1 -NCGC00357220-01 196724544 tox21-ror-cho-viability-p1 set3 4 -6.54069689 -1.53272363 -1.36684569 2.76052659 4.59064601 4.68926845 7.12565734 1.69745579 3.89939475 7.14552672 4.48742148 -6.283 -4.11353592 -1.31586262 7.17526884 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23696-85-7 5366074 251919759 Fns Damascenone CC=1C=CCC(C)(C)C=1C(=O)\C=C\C Tox21_304001 -NCGC00357263-01 196724964 tox21-ror-cho-viability-p1 set3 4 0.0034376243 11.065980428 -10.565980428 0.5 1.111 0.5452745151 0.1407519362 -8.80498369 -5.21328293 -2.54615873 -4.41031558 -1.39972455 5.28512192 3.0898666 -4.16171957 -0.06577097 0.943933 3.2749969 0.44015243 -0.50456286 -2.94392061 1.33987135 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 563-04-2 11232 251919691 Ac Tri-m-tolyl phosphate Cc1cc(ccc1)OP(=O)(Oc2cc(C)ccc2)Oc3cc(C)ccc3 Tox21_303758 -NCGC00260419-01 196724970 tox21-ror-cho-viability-p1 set3 4 0.048953047 17.445946624 -11.445946624 6 0.2 0.5650424255 0.1244058717 -8.70495552 -5.84625003 -3.5284921 -0.04818309 -2.14924891 -7.27562724 1.92944013 0.05076725 -3.65526726 -1.39666216 4.17859115 -0.16375926 0.16971327 2.69320231 4.63774275 1.188E-9 2.6549999999E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 818-72-4 13166 144210071 A A 1-Octyn-3-ol C#CC(O)CCCCC Tox21_202873 -NCGC00188346-02 196724975 tox21-ror-cho-viability-p1 set3 -2.2 9.4391758155 -64.2954128491 -1.384533073 -65.6799459221 1.0999999999 0.9580635884 0.0000031868 0.87040865 1.86049911 0 0.21266166 -13.70272595 -1.64747179 1.95648476 -1.61577059 -3.19960031 -2.03594503 -12.65162586 -19.95366561 -33.48819193 -44.95700068 -56.88884597 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1092351-67-1 24905147 170466897 A PP242 Oc1cc2cc(nc2cc1)c4nn(c3ncnc(N)c34)C(C)C Tox21_113072_1 -NCGC00183863-01 196725371 tox21-ror-cho-viability-p1 set3 4 0.5308038637 10.1238089719 -3.6238089719 6.5 4.9549173134 0.5908203996 0.103705221 -4.57703896 -9.26984081 -3.5136003 4.77318941 -0.34595618 -0.50411906 -4.99078837 -5.81884877 -7.92500915 11.3241422 9.91244373 6.18769881 3.96974759 2.73849085 4.59592924 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25803-14-9 33176 144206860 A A Clometacine Clc1ccc(cc1)C(=O)c3c2ccc(cc2n(CC(=O)O)c3C)OC Tox21_113309 -NCGC00254823-01 196715032 tox21-ror-cho-viability-p1 set2 4 -1.81999836 -0.285351 -1.06928757 0.59537305 -2.15816802 -1.36600045 0.49800103 0.85273349 0.67044094 0.58736218 0.47872968 -2.26162829 -0.83600076 -2.13394981 -4.52555129 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 10453-86-8 5053 144211237 A A Resmethrin O=C(OCc2cc(Cc1ccccc1)oc2)C3C(/C=C(\C)C)C3(C)C Tox21_300920 -NCGC00254773-01 196715041 tox21-ror-cho-viability-p1 set2 4 -0.98292884 0.45684898 -0.32258043 -1.47956049 0.06343055 -0.69890028 -1.62502839 -0.3734351 0.0700519 -1.49846006 -1.57829233 -0.29939251 4.99708726 0.77761993 5.59314693 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 143-08-8 8914 144211186 A A 1-Nonanol CCCCCCCCCO Tox21_300869 -NCGC00254169-01 196715026 tox21-ror-cho-viability-p1 set2 4 2.14689898 1.46432752 0.66021712 -0.40039219 2.43331787 2.2896297 0.79430186 -0.83467151 2.3310254 0.68415067 1.59559588 4.07679414 3.52094372 0.77737992 1.16384192 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 8018-01-7 3034368 144210633 F Mancozeb [Mn+2].[Zn+2].[S-]C(=S)NCCNC(=S)[S-].[S-]C(=S)NCCNC([S-])=S Tox21_300314 -NCGC00253998-01 196715031 tox21-ror-cho-viability-p1 set2 4 1.3685428777 4.4813114879 -5.4813114879 -1 4.9549173134 0.3590226391 0.3138939293 -5.16680525 -3.97573989 -0.94222878 -7.94211286 -1.1680308 -4.25584095 -11.23442624 -7.78244798 -6.36117729 -2.14714215 1.35803545 -0.52388654 -0.14426035 -4.17037435 -2.5387845 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-62-3 7059 144210639 FNS Ac 6-Methylquinoline Cc1ccc2ncccc2c1 Tox21_300320 -NCGC00254172-01 196715046 tox21-ror-cho-viability-p1 set2 4 -0.80276792 -0.30579544 1.60745554 0.32108665 0.06596651 -0.36791331 0.47673526 0.18132013 2.62007276 -0.14991959 3.16498438 0.31434628 -0.05470921 4.43679016 0.41246262 1.109E-9 2.4799999999E-9 5.5449999999E-9 1.2399999999E-8 2.772E-8 6.199E-8 1.3859999999E-7 3.1E-7 6.931E-7 0.00000155 0.000003465 0.000007749 0.00001733 0.00003874 0.00008664 181640-09-5 60196402 144210548 A B SR144190 Cl.O=C(N3C[C@](CCN1CCC(NC(=O)N(C)C)(CC1)c2ccccc2)(OCC3)c4ccc(F)c(F)c4)c5ccccc5 Tox21_300228 -NCGC00253982-01 196715049 tox21-ror-cho-viability-p1 set2 4 -1.83097669 -5.73133564 -0.72802835 -0.4422549 -2.1425559 1.20734981 -2.93742963 -2.84749645 -4.52197708 -5.19498047 1.17352154 -2.27339351 0.97019368 2.47677617 -0.05794183 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 298-46-4 2554 144210515 A A Carbamazepine NC(=O)N2c3ccccc3C=Cc1ccccc12 Tox21_300195 -NCGC00257936-01 196715454 tox21-ror-cho-viability-p1 set2 4 0.5409506097 13.172343496 -6.172343496 7 0.2 0.5504099468 0.1373764338 -6.39361958 -0.04569068 -4.41328124 -1.48301545 1.69649943 -0.05518385 1.7713919 -2.66178904 -0.22148918 -0.71493132 1.72294355 2.28938565 0.92958722 2.85465673 6.25449811 1.173E-9 2.624E-9 5.867E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.28E-7 7.3329999999E-7 0.0000016399999999 0.000003667 0.0000081989999999 0.00001833 0.000041 0.00009167 96-12-8 7280 144207580 A A 1,2-Dibromo-3-chloropropane BrC(CBr)CCl Tox21_200382 -NCGC00258576-01 196715457 tox21-ror-cho-viability-p1 set2 4 2.65307153 1.17434528 -0.85279978 0.01444188 -1.70210227 2.73957433 2.18442444 3.58308257 -1.61401295 1.68385206 0.60122928 0.2223841 -0.72894005 0.49992436 -1.32525826 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.613E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.00001848 0.00004133 0.00009242 66-22-8 1174 144208221 A A Uracil O=C1C=CNC(=O)N1 Tox21_201023 -NCGC00258507-01 196715462 tox21-ror-cho-viability-p1 set2 4 -1.99898795 -4.53283385 -2.9999582 -0.63561192 -0.70485774 -0.65813106 -5.9358295 -3.3201025 -4.38456945 -1.84644007 -1.84674889 -0.60620285 -2.56694979 -3.18888781 -2.62082546 1.155E-9 2.583E-9 5.7769999999E-9 1.292E-8 2.8879999999E-8 6.459E-8 1.444E-7 3.229E-7 7.2209999999E-7 0.000001615 0.000003611 0.000008073 0.000018049999999 0.000040369999999 0.00009026 98-08-8 7368 144208152 FNS Benzotrifluoride FC(F)(F)c1ccccc1 Tox21_200954 -NCGC00257894-01 196715863 tox21-ror-cho-viability-p1 set2 4 0.64327799 -0.99250905 0.0163474 0.28697545 -3.97182605 0.4610976 -1.36215766 -3.5259222 0.56522033 -1.94714266 -3.63951768 1.63032423 -4.18501252 -2.1518321 2.16938376 1.203E-9 2.6889999999E-9 6.014E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003759 0.000008404 0.000018789999999 0.00004202 0.000093959999999 610-14-0 11875 144207538 A B 2-Nitrobenzoyl chloride O=[N+]([O-])c1ccccc1C(Cl)=O Tox21_200340 -NCGC00258752-01 196715865 tox21-ror-cho-viability-p1 set2 4 48.2616000528 -16.6288091039 1.5 -15.1288091039 2.7867712143 0.7517931951 0.0191467397 0.0684587 -0.7024541 -2.07664921 0.41244041 4.69045989 2.93000041 1.61809061 4.35963583 2.86060238 -2.64986413 1.08010641 3.8582292 -0.19195417 -4.70807374 -12.60734092 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003668 0.000008201 0.00001834 0.000041009999999 0.00009169 82097-50-5 73282 144208398 A A Triasulfuron Cc2nc(NC(=O)NS(=O)(=O)c1ccccc1OCCCl)nc(OC)n2 Tox21_201200 -NCGC00258116-01 196715873 tox21-ror-cho-viability-p1 set2 4 60.6956566923 -13.4476675359 3 -10.4476675359 3.2974983358 0.7825640023 0.0114978338 5.05290458 4.10850328 1.39485864 1.92153205 5.50445912 4.09558468 2.93969627 3.85822973 4.98810287 0.97022781 2.51356727 1.18271451 1.02744204 0.48610389 -7.87305628 1.173E-9 2.622E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.329E-7 0.0000016389999999 0.000003665 0.000008195 0.00001832 0.000040969999999 0.00009162 36861-47-9 60196294 144207760 A F Enzacamene CC3(C)C2CCC3C(=Cc1ccc(C)cc1)C2=O Tox21_200562 -NCGC00257935-01 196715874 tox21-ror-cho-viability-p1 set2 4 -2.72081388 -0.22665157 -11.63972671 -1.1522544 -1.89660779 -0.22780018 -8.46290533 -0.0466506 0.41550531 -2.64008724 -1.77122313 1.93873224 1.80836392 -0.93536229 2.36528755 1.172E-9 2.621E-9 5.862E-9 1.311E-8 2.931E-8 6.554E-8 1.465E-7 3.277E-7 7.327E-7 0.0000016379999999 0.000003664 0.000008192 0.00001832 0.00004096 0.00009159 95-82-9 7262 144207579 A A 2,5-Dichloroaniline Clc1ccc(Cl)c(N)c1 Tox21_200381 -NCGC00179273-03 196717551 tox21-ror-cho-viability-p1 set2 4 0.3349145963 4.5147699839 -3.5147699839 1 3.5117481694 0.4121343244 0.2626518847 -1.09341156 -6.76975375 -3.16592535 -3.1427341 -0.87901644 -7.51230832 -0.99203267 -4.06416211 -0.41758894 -0.37589918 7.39635139 0.67042049 -0.18792336 -1.8904394 0.39261687 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 49697-38-3 16051942 170464695 F Rimexolone O=C(OC)[C@@]4(C)[C@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_110650_1 -NCGC00164559-03 196717972 tox21-ror-cho-viability-p1 set2 4 -0.1875666 0.72069561 -2.80398161 -4.53906813 -1.87842057 1.25722002 -2.70303506 -2.99390264 -4.96364131 -3.34371565 -1.97054824 -3.62883893 -3.28469159 -5.79681119 -3.75448311 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 136434-34-9 60834 170465319 A Duloxetine hydrochloride Cl.CNCC[C@H](Oc1cccc2ccccc12)c3cccs3 Tox21_112188_1 -NCGC00168265-02 196717150 tox21-ror-cho-viability-p1 set2 4 12.6840431269 -14.0628012119 2 -12.0628012119 1.21 0.8334583088 0.0036321352 2.70973118 -1.23423995 -0.66024713 6.14850135 0.62196788 3.02476266 4.89018376 1.11159927 -0.63691246 -2.56191124 -0.98755029 -7.69422237 -11.68597488 -7.75357703 -12.96900101 2.8909999999E-9 6.464E-9 1.4449999999E-8 3.232E-8 7.227E-8 1.616E-7 3.614E-7 8.08E-7 0.0000018069999999 0.0000040399999999 0.000009034 0.0000202 0.00004517 0.000101 0.0002259 50-37-3 5761 144206425 A A Lysergide CCN(CC)C(=O)[C@@H]2C=C1c3cccc4ncc(C[C@H]1N(C)C2)c34 Tox21_112872 -NCGC00253702-01 196717154 tox21-ror-cho-viability-p1 set2 4 -0.44096625 0.60689403 0.03611847 0.56732453 -7.12069944 -0.59244855 -7.08928535 -2.15477474 1.49080581 0.45192601 0.97805892 0.58353501 1.12627419 -0.76447992 -6.72612826 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 92-39-7 7088 170466693 A F 2-Chlorophenothiazine Clc1cc2Nc3ccccc3Sc2cc1 Tox21_113822 -NCGC00016799-08 196717973 tox21-ror-cho-viability-p1 set2 4 2.80349797 -0.009067 2.19367825 3.51045396 5.13337529 6.0606635 7.13333257 5.15911618 1.24996426 0.84581712 0.14976787 0.10129286 -0.74496248 -0.03396741 -0.45323498 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27470-51-5 5362 170465972 A Suxibuzone O=C(O)CCC(=O)OCC2(CCCC)C(=O)N(c1ccccc1)N(C2=O)c3ccccc3 Tox21_110615_1 -NCGC00179431-03 196717980 tox21-ror-cho-viability-p1 set2 4 0.3349145963 -3.22619568 3.5 0.27380432 4.9549173134 0.3677622397 0.3088404115 0.41060368 1.03397838 3.27183984 1.88271102 3.28333647 3.09672715 7.60719114 5.88412713 1.58659715 -2.6884964 2.13435967 1.33839163 0.25217901 -0.12295814 0.59684114 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7421-40-1 636402 170465951 A Carbenoxolone sodium [Na+].[Na+].[O-]C(=O)CCC(=O)O[C@H]4CC[C@]3(C)[C@H]5C(=O)C=C1[C@@](C)(CC[C@@]2(C)CC[C@@](C)(C[C@@H]12)C([O-])=O)[C@]5(C)CC[C@H]3C4(C)C Tox21_110769_1 -NCGC00167509-02 196717985 tox21-ror-cho-viability-p1 set2 4 -6.46818033 -3.99228634 -3.99310351 -0.78024552 0.54118425 -3.73184001 -0.29625262 -3.87713247 1.36052282 0.74741863 1.28626901 0.72317854 0.64700165 0.237603 0.93036444 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23182-46-9 168088 170465967 A Pipethanate ethylbromide [Br-].CC[N+]3(CCOC(=O)C(O)(c1ccccc1)c2ccccc2)CCCCC3 Tox21_112507_1 -NCGC00015146-11 196717988 tox21-ror-cho-viability-p1 set2 4 -4.65545007 -0.66991694 -1.14642914 0.87264364 3.73773624 -0.09934506 0.16715911 3.04530748 0.34317131 1.59994797 -0.50618304 2.09812992 1.42521858 2.85293329 1.76670564 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2391-03-9 6433334 170465028 A Dexbrompheniramine maleate O=C(O)/C=C\C(=O)O.Brc1ccc(cc1)[C@H](CCN(C)C)c2ccccn2 Tox21_112000_1 -NCGC00256482-01 196718379 tox21-ror-cho-viability-p1 set2 4 -0.85554617 2.55014757 0.5692597 3.16790637 -0.05303599 2.03385146 3.64852818 4.28830131 3.36532605 1.47778316 6.46177972 6.18352673 6.68318754 0.02954323 1.70571064 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-50-3 7814 144213260 A D 1,4-Benzenediamine Nc1ccc(N)cc1 Tox21_302943 -NCGC00256640-01 196718404 tox21-ror-cho-viability-p1 set2 4 -4.09109309 0.55223857 -0.67032922 -5.77960716 -1.6971911 1.0097369 -0.56587292 -0.95805113 -6.38077089 0.67930842 -2.92716288 -3.20337383 -3.37440129 -2.05253495 -4.30680056 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17209-72-2 96132 144213923 F Fns 3-[Bis(2-hydroxyethyl)amino]propanenitrile OCCN(CCC#N)CCO Tox21_303618 -NCGC00257168-01 196718798 tox21-ror-cho-viability-p1 set2 4 0.17854313 0.61208123 1.01687002 1.82443599 2.63443971 3.18274882 2.16140641 7.76736184 0.50030363 -0.60451026 5.17267176 4.70277523 2.14890537 1.27449595 1.41492251 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-92-6 8497 144213567 A A 3-Nitrobenzoic acid O=[N+]([O-])c1cc(ccc1)C(=O)O Tox21_303250 -NCGC00090858-02 196718805 tox21-ror-cho-viability-p1 set2 4 -0.33287241 -0.71925716 1.31350189 2.41095368 1.3220537 0.11816964 2.14100539 6.71889583 4.67000682 0.35954747 5.23136367 3.73145203 0.2223617 -1.91882671 0.35957744 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00256689-01 196718809 tox21-ror-cho-viability-p1 set2 4 -4.10179517 -1.02411209 -0.49485419 -0.47094315 1.14679379 1.2597767 0.20154714 -0.88491214 -1.37174247 -2.28685591 -1.53317142 -1.45968602 -3.95005479 -0.10064862 1.02580743 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6359-82-6 23675339 144212913 Fns Fns Acid Yellow 11 [Na+].[O-]S(=O)(=O)c1ccc(cc1)N3N=C(C)C(\N=N/c2ccccc2)C3=O Tox21_302596 -NCGC00258448-01 196729612 tox21-ror-cho-viability-p1 set3 4 15.5272345649 17.3542986 -1.8542986 15.5 1.826479391 0.8745279873 0.0009832035 -3.2119155 -2.94749621 -3.2057358 -2.04163665 -1.37307614 -2.51398443 -0.65497193 -2.79692688 1.41645862 0.91786178 -2.51837717 0.33531321 11.90012545 8.75046393 16.82374421 1.191E-9 2.664E-9 5.9569999999E-9 1.332E-8 2.978E-8 6.66E-8 1.489E-7 3.33E-7 7.446E-7 0.000001665 0.0000037229999999 0.0000083249999999 0.00001861 0.00004162 0.000093069999999 5589-96-8 542762 144208092 CC Bromochloroacetic acid BrC(Cl)C(=O)O Tox21_200894 -NCGC00258013-01 196729611 tox21-ror-cho-viability-p1 set3 4 0.1510579464 5.130641416 -4.130641416 1 1.5385888099 0.4326931689 0.2427559975 -5.56837744 -0.04832178 -3.04375668 -10.94220118 0.03911441 -2.2321563 -3.43024771 0.65411452 -0.1998916 3.84303836 0.02463464 1.40133602 0.39142723 2.47038069 -0.80718954 1.164E-9 2.6039999999E-9 5.822E-9 1.302E-8 2.911E-8 6.509E-8 1.456E-7 3.255E-7 7.2779999999E-7 0.0000016269999999 0.000003639 0.000008137 0.00001819 0.00004068 0.000090969999999 3965-55-7 23675796 144207657 A A Sodium 3,5-bis(methoxycarbonyl)benzenesulfonate [Na+].O=S([O-])(=O)c1cc(cc(c1)C(=O)OC)C(=O)OC Tox21_200459 -NCGC00258256-01 196730008 tox21-ror-cho-viability-p1 set3 4 6.2438377468 -12.0723752 1 -11.0723752 4.9549173134 0.8152053967 0.0082090592 0.04866459 0.7594509 0.517109 0.85089819 -0.7878391 0.79305696 3.6696275 -1.00440367 0.23328099 -0.02376449 5.32434401 -12.143646 -11.611689 -7.86022405 -1.44732688 1.2009999999E-9 2.686E-9 6.005E-9 1.3429999999E-8 3.003E-8 6.714E-8 1.501E-7 3.3569999999E-7 7.506E-7 0.0000016779999999 0.000003753 0.0000083919999999 0.000018769999999 0.00004196 0.000093829999999 102-81-8 7621 144207900 A Fc 2-(Dibutylamino)ethanol CCCCN(CCCC)CCO Tox21_200702 -NCGC00255117-01 196727928 tox21-ror-cho-viability-p1 set3 4 -0.29369087 2.37313189 -0.795154 -4.69982234 -0.68529982 0.34821941 -3.98859448 -3.65603038 -2.34690381 -3.67148223 -2.0378819 -5.76242348 0.19298699 -3.79908224 -4.33545723 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7647-10-1 24290 144211683 Palladium(II) chloride Cl[Pd]Cl Tox21_301366 -NCGC00255430-01 196727934 tox21-ror-cho-viability-p1 set3 4 0.0086349218 -14.4041452719 7 -7.4041452719 0.3 0.5136374467 0.1676606692 0 6.23631625 -1.41137911 -4.08136255 -0.5784905 -4.6550394 2.62469529 -7.3825178 -3.36550574 -5.93927854 -4.59976691 -5.05229976 -5.74191356 -5.1167073 -8.67012106 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 134-84-9 8652 144211946 A A 4-Methylbenzophenone Cc1ccc(cc1)C(=O)c2ccccc2 Tox21_301629 -NCGC00255212-01 196728780 tox21-ror-cho-viability-p1 set3 4 -0.70699487 -5.33598425 -3.75878424 -7.08711529 -1.31874194 -1.41212139 0.32581944 -4.15031809 -2.96372049 -0.7853571 1.81951606 -5.31242294 -1.97358617 -1.74332142 -5.4448011 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 943-41-9 13671 144212573 Bc F N-Nitroso-N-methyl-4-nitroaniline O=NN(C)c1ccc(cc1)[N+]([O-])=O Tox21_302256 -NCGC00255175-01 196729186 tox21-ror-cho-viability-p1 set3 4 27.3060203028 -6.9453657759 1.5 -5.4453657759 4.9549173134 0.3326619811 0.3377602032 -5.02726425 0.67260587 4.20017517 5.29451539 0.10729932 -1.72517219 0.8821177 5.00736974 0.14941166 4.95126878 6.75185419 -5.43105868 2.05492267 -5.73404574 -6.20447148 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 530-78-9 3371 144212428 A A Flufenamic acid FC(F)(F)c1cc(ccc1)Nc2ccccc2C(=O)O Tox21_302111 -NCGC00255174-01 196728775 tox21-ror-cho-viability-p1 set3 4 -6.99973879 1.38695914 0.29227811 3.64128224 -1.57178676 4.52245612 5.70673532 7.82382989 -1.04534007 0.69895649 1.4570677 -3.85198548 -1.24208262 -0.82339446 -1.41807076 9.143E-10 2.0439999999E-9 4.571E-9 1.022E-8 2.2859999999E-8 5.111E-8 1.143E-7 2.556E-7 5.7139999999E-7 0.0000012779999999 0.000002857 0.000006389 0.000014289999999 0.00003194 0.00007143 1762-95-4 15666 144212284 Thiocyanic acid, ammonium salt [NH4+].[S-]C#N Tox21_301967 -NCGC00255585-01 196728778 tox21-ror-cho-viability-p1 set3 4 1.37680295 0.55049444 8.78549893 -2.17133085 -2.90733391 -7.42926877 10.3167064 8.33139144 10.14807314 -6.00708739 11.79023506 0.29227605 5.57630072 9.17264864 3.17654693 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1193-18-6 14511 144212353 A F 3-Methyl-2-cyclohexen-1-one CC=1CCCC(=O)C=1 Tox21_302036 -NCGC00090708-05 196727941 tox21-ror-cho-viability-p1 set3 -1.2 3.4376242854 -57.1719791099 0.8284068379 -56.343572272 2.2526478767 0.9805105282 4.09E-8 -2.50311279 -4.84732809 3.00212313 -1.57154292 1.11179896 1.92611781 2.33122562 2.17355005 3.09628806 -3.2952091 -31.5882519 -51.594636 -58.61964356 -57.93794225 -49.38076616 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00357058-01 196723766 tox21-ror-cho-viability-p1 set3 4 0.4855773367 -5.0168739039 5 -0.0168739039 4.9549173134 0.3545501594 0.3172938201 -0.09430929 6.20418964 0.83825225 4.4468985 2.25347992 9.38263526 8.56752092 7.9843548 -2.6566244 1.6631326 2.38814725 2.42242721 -1.93235396 -3.34739492 2.53711076 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-41-2 6885 251919962 A Phthalide O=C1OCc2ccccc12 Tox21_303762 -NCGC00260465-01 196723770 tox21-ror-cho-viability-p1 set3 4 -1.79271348 -1.97591343 -0.39979208 0.55338261 -7.80840571 -0.98533241 -2.77535133 2.85567181 1.31392883 1.46132943 1.59679828 -1.75268925 -3.16493509 -2.50770264 -4.37682213 1.206E-9 2.6979999999E-9 6.032E-9 1.349E-8 3.016E-8 6.744E-8 1.5079999999E-7 3.372E-7 7.54E-7 0.0000016859999999 0.00000377 0.0000084299999999 0.00001885 0.000042149999999 0.00009425 486-25-9 10241 144210117 A A 9-Fluorenone O=C3c1ccccc1c2ccccc23 Tox21_202919 -NCGC00255833-01 196728765 tox21-ror-cho-viability-p1 set3 4 -0.55899649 -1.70952813 -0.58864798 -0.33389483 -0.02089749 0.47208569 -0.28617354 -1.88371187 3.28561377 -0.62222218 -1.34701532 -4.82498884 -1.56062161 -2.04689246 2.91805524 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55107-14-7 99597 144211681 A Ac Methyl 4,4,4-trimethylacetoacetate CC(C)(C)C(=O)CC(=O)OC Tox21_301364 -NCGC00260660-01 196724306 tox21-ror-cho-viability-p1 set3 4 0.0668242473 -5.9509516119 3.5 -2.4509516119 4.9549173134 0.4444847266 0.23059157 -2.36022815 7.84368135 2.56544427 0.42322224 6.83838716 6.01534703 -0.23674176 -5.56264005 -7.87579301 1.57488111 -1.25694957 0.12377569 -1.52806863 -0.82112919 -3.76013757 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49556 144210313 M M NTP Mix26 AR2 2-EQP Tox21_203115 -NCGC00091643-08 196724319 tox21-ror-cho-viability-p1 set3 -2.4 61.130564862 -41.812909236 2 -39.812909236 1.21 0.7064104528 0.0352506491 -4.64020971 8.42186159 2.86608964 5.44315135 8.05732871 1.06762947 9.6336196 -3.56047697 -3.43895135 0.05472449 -3.51434129 -2.87332155 -8.85381243 -6.06418608 -29.84409103 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00260377-01 196724730 tox21-ror-cho-viability-p1 set3 4 0.1095922211 6.0601809319 -3.0601809319 3 3.0654483358 0.389639914 0.2828316425 -6.7868408 -1.33834801 2.16732371 -6.59136659 0.8933754 -8.38348411 4.86007635 1.53868664 5.32073541 3.03151808 0.97789473 2.46532427 -0.19677376 -0.45762907 7.65899638 1.188E-9 2.6549999999E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 3938-95-2 19838 144210029 Fns Ethylpivalate CC(C)(C)C(=O)OCC Tox21_202831 -NCGC00260136-01 196724736 tox21-ror-cho-viability-p1 set3 4 -4.49203539 0.23861421 -6.31321142 -4.76317848 5.98004757 4.75947244 4.25589445 5.65590033 -15.25493309 0.56276822 1.95225794 2.13091267 -6.07669831 -2.63379926 10.02773333 1.162E-9 2.599E-9 5.812E-9 1.2999999999E-8 2.9059999999E-8 6.4979999999E-8 1.453E-7 3.249E-7 7.265E-7 0.000001624 0.000003632 0.000008122 0.00001816 0.00004061 0.000090809999999 142-59-6 3032297 144209786 Bc Nabam-sodium [Na+].[Na+].[S-]C(=S)NCCNC(=S)[S-] Tox21_202588 -NCGC00166298-02 196725559 tox21-ror-cho-viability-p1 set3 4 0.16785492 8.8141697279 -1.8141697279 7 4.9549173134 0.7617763563 0.0214593167 0.02500556 1.5343371 -4.84514144 -2.66996337 -3.17433446 0.25569493 -2.05832374 1.68151582 9.97086332 5.94512459 7.03039376 10.44731471 4.15906625 3.85797273 -4.3319509 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2919-66-6 250948 170465702 A Melengestrol acetate CC(=O)[C@@]3(OC(C)=O)C(=C)C[C@H]2[C@@H]4C=C(C)C1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_111887_1 -NCGC00255764-01 196728077 tox21-ror-cho-viability-p1 set3 4 0.0203069174 -8.2751023679 0 -8.2751023679 3.9294729863 0.4120634577 0.2606289881 0 -5.29460654 -0.37765564 6.8795446 -6.15735444 -5.28402096 -15.64591864 -8.55786546 -3.99940114 -15.26673794 -2.49031213 -6.25549306 -6.23268205 -10.22726917 -5.42330594 8.376E-10 1.873E-9 4.188E-9 9.365E-9 2.094E-8 4.682E-8 1.0469999999E-7 2.3409999999E-7 5.2349999999E-7 0.0000011709999999 0.0000026179999999 0.000005853 0.00001309 0.00002926 0.00006544 157810-81-6 5462355 144212732 A A Indinavir sulfate O[C@H](CN1CCN(C[C@H]1C(=O)NC(C)(C)C)Cc2cccnc2)C[C@@H](Cc3ccccc3)C(=O)N[C@H]4c5ccccc5C[C@H]4O.O=S(=O)(O)O Tox21_302415 -NCGC00257255-01 196727662 tox21-ror-cho-viability-p1 set3 4 3.13050475 3.41039308 -6.10696722 3.23042402 -4.82322555 -1.48648008 0 -5.20446511 0 0 0 -0.29351852 -1.56254255 -6.53435745 -6.12327116 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2943-75-1 76262 144213951 F Triethoxyoctylsilane CCO[Si](OCC)(OCC)CCCCCCCC Tox21_303648 -NCGC00256058-01 196728065 tox21-ror-cho-viability-p1 set3 4 0.0021689943 14.709470364 -13.709470364 1 1.0999999999 0.8511396571 0.0034610472 -9.75789197 -3.67298086 -3.27843697 -1.07688931 -0.59836234 0.191766 0.20506392 3.57427149 1.19168074 2.07167137 1.98637817 0.19339439 -1.17571452 0.88913986 -3.58883953 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 585-34-2 11450 144212003 A A 3-tert-Butylphenol CC(C)(C)c1cc(O)ccc1 Tox21_301686 -NCGC00255920-01 196728066 tox21-ror-cho-viability-p1 set3 4 1.37205456 0.63754248 2.84930915 -1.00259071 2.11122561 -3.3347597 9.2062674 -2.90482825 -0.76597535 -3.6419826 -1.91212827 -4.13683208 6.96627774 6.10202902 3.27317597 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4107-98-6 61329 144211690 A Ac N,N-Diisopropylaniline CC(C)N(C(C)C)c1ccccc1 Tox21_301373 -NCGC00015060-14 196698204 tox21-ror-cho-viability-p1 set1 4 1.78740786 -0.13061516 3.26555228 -0.50466326 0.9800064 0.58625525 0.79770016 2.24329837 -0.68911742 1.05672376 0.75174471 7.22689217 -0.32238467 1.41214349 7.06209447 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00091011-05 196697797 tox21-ror-cho-viability-p1 set1 4 1.83194811 -1.72081697 2.67987503 3.22483351 1.81301808 -0.64951586 1.40973265 2.09574999 -5.2417225 1.43111473 6.15738358 -1.26686357 1.67479193 1.11778776 3.99189288 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00263455-01 196697801 tox21-ror-cho-viability-p1 set1 4 0.64156585 0.95954997 -0.4725261 -0.2628694 -2.62074343 -4.191526 -0.39452833 -5.61992917 -4.53093197 0.58568466 -3.97693665 -1.22522848 0.69438424 -4.31073061 0.05169618 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118499-70-0 6917941 170466448 A Ipidacrine hydrochloride hydrate Cl.O.Nc1c3CCCc3nc2CCCCc12 Tox21_112577_1 -NCGC00261983-01 196698202 tox21-ror-cho-viability-p1 set1 4 -1.12881566 0.35703392 -0.18970239 -1.3828354 -2.41596944 0.4523098 -1.3704452 0.33360934 1.44866153 0.9167507 -2.64547239 -2.54579882 -3.07742324 -2.20610649 2.49284987 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67765-04-2 208916 170466287 A A Enefexine CCc1ccc(cc1)C2CCNCC2 Tox21_113902 -NCGC00254194-01 196714436 tox21-ror-cho-viability-p1 set2 4 -0.78955085 0.76913779 -0.55448965 -0.12900719 4.00881241 -0.89657547 0.81938323 4.06309726 0.28358517 -0.474468 -0.53104321 4.41838247 1.01065373 -0.66882619 0.65676024 1.754E-9 3.921E-9 8.768E-9 1.9609999999E-8 4.3839999999E-8 9.803E-8 2.192E-7 4.902E-7 0.000001096 0.000002451 0.00000548 0.00001225 0.0000274 0.00006127 0.000137 1075752-90-7 60196405 144210565 A A SSR 103800 Cl.FC(F)(F)c1ccc(Cl)c(c1Cl)C(=O)N[C@@H]([C@@H]3CN2CCC3CC2)c4ccccc4 Tox21_300245 -NCGC00095838-04 196713615 tox21-ror-cho-viability-p1 set2 4 -1.25774633 -1.65294608 0.03776564 0.35245037 -0.08785948 0.14389949 -1.91879941 0.57726823 -2.52017652 0.37805953 -0.21960902 -0.23586598 -1.22947077 1.15733949 5.62894746 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103628-46-2 5358 170465377 A Sumatriptan CNS(=O)(=O)Cc1cc2c(cc1)ncc2CCN(C)C Tox21_111528_1 -NCGC00159330-03 196713616 tox21-ror-cho-viability-p1 set2 4 -3.54698468 -3.93287783 -5.08567303 -7.0643046 -3.24157054 -3.15209463 -4.18719867 -3.54809538 0.47931602 -0.53799999 -2.50752146 -0.30977098 -2.73313268 0.30094975 -0.2248901 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69975-86-6 50942 170466312 A Doxofylline O=C2c1n(cnc1N(C)C(=O)N2C)CC3OCCO3 Tox21_111577_1 -NCGC00163906-02 196714427 tox21-ror-cho-viability-p1 set2 4 0.69238197 1.32865519 -0.16206776 2.23843974 0.4350204 0.25425805 6.02851904 1.58160476 1.39780704 5.91213737 0.90938654 4.82939976 3.24701533 5.02089269 3.50747045 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00254883-01 196714443 tox21-ror-cho-viability-p1 set2 4 0.086349218 -4.375619564 -0.5 -4.875619564 4.9549173134 0.4338817556 0.2426896776 -2.36473572 -3.34812497 1.2651178 -0.52237652 0.41716824 -0.23117936 -7.20735019 -9.47968297 -4.11429501 -3.30728697 -2.09606558 -5.91360389 -4.29568338 -0.96742449 -6.67782224 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10469-09-7 82646 144211298 A Ac 3,4,5,6-Tetrachloropyridine-2-carboxylic acid Clc1c(Cl)c(nc(Cl)c1Cl)C(=O)O Tox21_300981 -NCGC00254450-01 196714844 tox21-ror-cho-viability-p1 set2 4 -0.52172015 1.19072782 0.59866996 1.00806761 0.97704838 -0.41797441 1.26268345 0.14563685 0.74058425 1.68218704 0.99720522 3.38714072 4.54324602 2.30918966 2.89685388 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-54-9 79 144210672 A Ac 3-Pyridinecarbonitrile N#Cc1cccnc1 Tox21_300354 -NCGC00254446-01 196714852 tox21-ror-cho-viability-p1 set2 4 -1.07432492 0.28063487 -0.36250729 -0.37156681 2.23600369 3.20800332 1.5735377 -0.35554823 -0.5188937 5.59390714 0.30578623 0 2.11349494 2.57921439 2.25762023 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-07-2 379 144210663 A A Octanoic acid O=C(O)CCCCCCC Tox21_300345 -NCGC00255036-01 196714858 tox21-ror-cho-viability-p1 set2 4 0.2239993 0.73146387 0.09392096 -1.75874592 0.54809689 0.6576109 -0.46422816 0.86690399 0.03651446 0.25639001 1.65039102 -0.04038757 0.04344224 0.02023259 2.05048823 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-54-0 61018 144211455 A 3,5-Dimethyl-1-hexyn-3-ol CC(C)CC(C)(O)C#C Tox21_301138 -NCGC00254020-01 196714863 tox21-ror-cho-viability-p1 set2 4 12.1971512362 -23.9870448999 1.5 -22.4870448999 0.3 0.5296837542 0.1525428595 0.84958158 1.04407806 1.07338589 -0.30439454 -4.2269599 -5.80944606 1.87889419 -8.68388973 -12.1547308 -8.56261049 -7.64999207 -0.1457433 -5.08969009 -17.90587075 -17.05909489 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 732-26-3 12902 144210441 A 2,4,6-Tris(tert-butyl)phenol CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(C)(C)C Tox21_300121 -NCGC00357065-01 196712191 tox21-ror-cho-viability-p1 set2 4 -11.70520872 -12.61345114 -13.96756215 -9.05046991 -6.71634446 0 -9.70122449 -8.44986779 -7.40958859 -1.63184875 -12.87732435 -49.80133447 0 -12.91305751 5.38859841 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 619-73-8 69275 251919924 A 4-Nitrobenzyl alcohol O=[N+]([O-])c1ccc(CO)cc1 Tox21_303773 -NCGC00164497-02 196716749 tox21-ror-cho-viability-p1 set2 4 0.003349146 14.389103552 -14.889103552 -0.5 0.4 0.4411042222 0.2333866477 -10.79575874 -11.57425296 -9.80040379 -0.3093976 -2.61223477 -9.68016796 -1.77724172 -0.05919939 -10.70970159 0.63191925 -3.09738483 0.14149688 -2.27640546 2.32205614 -1.14753535 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1038-59-1 13953 170466585 A Glyoctamide Cc1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCCCC2 Tox21_112135_1 -NCGC00356994-01 196712193 tox21-ror-cho-viability-p1 set2 4 -0.00330788 -2.65353229 -6.56011504 -6.08640375 -2.8908167 -7.12420001 -2.38515412 -8.2822749 -7.62761871 -4.54307094 -13.45513913 0 -3.94252244 -8.17192871 -15.75256414 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 580-51-8 11381 251919669 A 3-Phenylphenol Oc1cc(ccc1)c2ccccc2 Tox21_303813 -NCGC00260022-01 196711777 tox21-ror-cho-viability-p1 set2 4 -0.28426421 -1.40593534 -8.38517055 -2.89729632 -1.27248218 -0.49041366 -18.14415118 -1.93008976 -1.06519552 -8.70625556 -3.88744762 -1.16300335 -1.51069937 -1.41367985 -2.79672026 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 19780-11-1 5362708 144209671 A A (2-Dodecenyl)succinic anhydride O=C1OC(=O)CC1C/C=C/CCCCCCCCC Tox21_202473 -NCGC00091253-05 196712192 tox21-ror-cho-viability-p1 set2 4 4.93119039 -1.11707062 -2.87422329 -15.52095776 0.04895433 -2.71175913 -0.55590299 -1.34290086 1.57699395 -2.3651895 -2.07717617 -1.21591574 3.25407564 1.44597574 -2.78033898 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00357235-01 196712196 tox21-ror-cho-viability-p1 set2 2.4 68.5896218971 34.277520364 3.722479636 38 0.7999999999 0.7850857141 0.0107321046 1.87463868 -0.23126697 2.46210754 6.06956552 3.28643683 7.1671336 3.62346022 6.43159627 4.89051983 5.9550039 10.52060486 7.96840302 10.49779644 11.09364335 29.257488 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-26-4 7644 251919828 A Methyl cinnamate O=C(C=Cc1ccccc1)OC Tox21_304025 -NCGC00178369-05 196712612 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -17.2576894679 1.5 -15.7576894679 4.9549173134 0.8167316137 0.00556387 3.33788954 1.93743013 3.37606442 -1.80589493 -0.99145264 0.01624811 1.21809849 3.92402443 0.60692888 1.39371787 3.89616878 0.69212 3.83265135 0.61620408 -13.13140789 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23642-66-2 198015 170466546 A Benfluorex hydrochloride Cl.FC(F)(F)c2cccc(CC(C)NCCOC(=O)c1ccccc1)c2 Tox21_111343_1 -NCGC00091650-03 196712616 tox21-ror-cho-viability-p1 set2 -2.4 68.5896218971 -32.840576472 -0.5 -33.340576472 4.9549173134 0.881824068 0.0007354049 1.87464274 0.68415086 -0.37294153 -1.16696597 -6.3198472 -4.49612241 -4.05040403 0.39421757 0.47236837 0.07270777 1.73678392 2.19363786 0.57924497 -1.16233951 -27.36714706 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00249416-01 196712624 tox21-ror-cho-viability-p1 set2 4 -1.20821587 -0.65630084 -1.01471413 -0.37266142 -1.76840845 -0.47441919 -0.08819699 -1.5356506 -1.3020873 -0.33978361 0.6483934 -0.81914761 -8.47910037 -2.66679779 -3.23551292 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 114856-44-9 3047798 144206753 A D Oberadilol Clc3cc(OCC(O)CNC(C)(C)CNc1ccc(cc1)C2=NNC(=O)CC2C)c(C#N)cc3 Tox21_113202 -NCGC00167496-03 196712631 tox21-ror-cho-viability-p1 set2 -2.2 11.8832183006 -34.1555317215 1 -33.1555317215 2.6384283767 0.9644708265 0.0000012648 1.43786064 1.98334513 0.71024566 -1.31094407 -0.91725028 -0.07742517 -0.7168913 1.68211866 1.25480247 2.33555607 0.64692891 2.29078501 -13.69006604 -22.60613962 -34.53701221 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61-73-4 6099 170465461 A Methylene blue [Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C Tox21_112497_1 -NCGC00090680-06 196713024 tox21-ror-cho-viability-p1 set2 4 0.78379765 2.41526204 2.50847342 -1.76966986 0.95458023 0.46574688 -0.25619442 -1.92948723 -2.15753087 0.07399532 3.21193216 3.48771015 0.76333055 0.80500662 -1.59382997 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63-25-2 6129 170465695 D Carbaryl CNC(=O)Oc2cccc1ccccc12 Tox21_110994_1 -NCGC00015060-14 196713026 tox21-ror-cho-viability-p1 set2 4 -0.76825414 1.41107409 -2.33567413 -1.02415799 -0.25409033 -0.57626011 -2.85065237 -0.67331485 -2.53379077 -0.73357465 -3.44075983 -6.45237925 -8.46504197 -0.93707459 2.69461768 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00258252-01 196729205 tox21-ror-cho-viability-p1 set3 4 56.5390743367 -15.2225264 2.5 -12.7225264 3.9899729863 0.7577429469 0.0174742163 0.61408593 1.82749464 2.91729285 3.09275927 -0.54145506 4.03956318 2.79751995 3.70374295 4.6494327 3.41227507 0.69094124 -1.44433915 6.11552865 -1.66880109 -11.018772 1.2169999999E-9 2.722E-9 6.087E-9 1.361E-8 3.044E-8 6.8059999999E-8 1.522E-7 3.403E-7 7.609E-7 0.0000017009999999 0.000003805 0.000008507 0.000019019999999 0.000042539999999 0.00009512 3699-54-5 77290 144207896 A A 1-(2-Hydroxyethyl)-2-imidazolidinone O=C1NCCN1CCO Tox21_200698 -NCGC00255495-01 196728371 tox21-ror-cho-viability-p1 set3 4 -8.58938743 -0.68900527 -2.10399336 -5.46568887 -2.35459148 -2.27842146 1.45786299 -0.04609475 -2.87297281 -3.7307667 -3.37836456 -7.48600421 0.73897208 -1.47969289 -0.57868417 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 113-24-6 23662274 144211803 Ac Sodium pyruvate [Na+].CC(=O)C([O-])=O Tox21_301486 -NCGC00163927-04 196728790 tox21-ror-cho-viability-p1 set3 4 -0.59615822 3.82167364 -1.41179856 -0.14370922 0.94780691 -1.31113028 2.20754314 -0.606843 -0.20304286 -2.13521923 0.65122559 -3.77341124 0.02771465 0.23067907 -1.54341447 1.203E-9 2.6889999999E-9 6.014E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003759 0.000008404 0.000018789999999 0.00004202 0.000093959999999 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00255379-01 196728797 tox21-ror-cho-viability-p1 set3 4 3.55697878 3.89817702 0.90588499 -1.77352615 2.31066135 -1.58224831 3.25150393 2.96557191 -4.77294492 1.190825 -7.36176326 -1.0549376 7.99405303 4.10352362 0.90597067 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2122-86-3 16463 144212197 A C 5-(5-Nitro-2-furyl)-1,3,4-oxadiazole-2-ol Oc1nnc(o1)c2oc(cc2)[N+]([O-])=O Tox21_301880 -NCGC00091261-03 196729214 tox21-ror-cho-viability-p1 set3 4 -0.02434922 3.17981234 -0.51482452 0.77971922 4.1539029 -0.03885732 -1.27409824 2.08391322 2.90535025 -2.12193013 3.38504901 -0.82457296 -1.12845716 1.61848121 0.24824598 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00258705-01 196729616 tox21-ror-cho-viability-p1 set3 -2.2 26.2989650002 -63.7353503331 1.9506585039 -61.7846918292 1.6258976909 0.9839728276 1.31E-8 0.91345064 1.68691812 3.71388927 3.77878193 1.97374264 0.43951829 1.27996172 1.51188035 2.51593713 3.63706584 2.19749375 -10.68015557 -16.95080377 -37.61930771 -57.20804799 1.039E-9 2.324E-9 5.197E-9 1.1619999999E-8 2.598E-8 5.81E-8 1.299E-7 2.9049999999E-7 6.4959999999E-7 0.000001453 0.000003248 0.000007263 0.000016239999999 0.00003631 0.0000812 17924-92-4 5281576 144208351 A A Zearalenone Oc1cc(O)cc2C=CCCCC(=O)CCC[C@H](C)OC(=O)c12 Tox21_201153 -NCGC00258537-01 196729619 tox21-ror-cho-viability-p1 set3 4 0.7868380643 -13.8103261159 0 -13.8103261159 4.9549173134 0.5940190238 0.1153909957 3.83474618 0.5411677 -2.33412284 0.60196748 0.32351348 -2.97050661 -0.35572992 0.13155283 -5.65062796 -23.59193843 -20.51431408 0 -13.81849886 -9.99179543 0.30958055 1.202E-9 2.688E-9 6.01E-9 1.344E-8 3.005E-8 6.719E-8 1.5019999999E-7 3.36E-7 7.5119999999E-7 0.0000016799999999 0.0000037559999999 0.0000083989999999 0.00001878 0.00004199 0.0000939 107-02-8 7847 144208182 FNS Acrolein C=CC=O Tox21_200984 -NCGC00258157-01 196729622 tox21-ror-cho-viability-p1 set3 -1.1 13.6993473423 -97.4918406155 2.266321253 -95.2255193625 2.3331733767 0.9893295967 1.2E-9 1.11508112 5.06399739 1.31448309 4.1681652 4.48294395 3.90315334 -1.00585981 -2.10389134 -1.34288807 0.72247201 0.87950201 -15.55867654 -68.81133116 -92.27279008 -88.26520035 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004127 0.00009229 375395-33-8 16211009 144207801 A A Methyltrioctylammonium bis(trifluoromethylsulfonyl)imide FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC Tox21_200603 -NCGC00091902-08 196729625 tox21-ror-cho-viability-p1 set3 4 12.1971512362 8.390668484 -2.390668484 6 2.3331733767 0.5541278979 0.133157103 0.01170317 -3.0564365 -4.00779386 -1.56791753 -4.07555707 0.52774985 -1.0046289 -3.49618329 -2.38697314 0.76735108 -3.70959321 -3.99704924 9.98503741 2.42027086 5.74079169 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00257640-01 196730041 tox21-ror-cho-viability-p1 set3 4 -2.15516924 0.02327266 -0.86577036 -0.83248276 -1.57882052 -1.6559934 1.33369208 -1.35275936 0.08194623 0.34559452 0.86836824 6.09744018 0.566987 2.55946905 7.22686853 1.162E-9 2.599E-9 5.812E-9 1.2999999999E-8 2.9059999999E-8 6.499E-8 1.453E-7 3.249E-7 7.266E-7 0.000001625 0.0000036329999999 0.0000081229999999 0.00001816 0.000040619999999 0.000090819999999 118-90-1 8373 144207284 A A 2-Methylbenzoic acid Cc1ccccc1C(O)=O Tox21_200086 -NCGC00258690-01 196730043 tox21-ror-cho-viability-p1 set3 4 1.89238241 0.45640145 1.11907201 -0.707364 -0.13654847 1.33957974 0.13372919 -0.3274825 -0.33251818 1.55265122 -0.7844744 0.70091122 0.6071565 -0.45290361 2.23592635 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.635E-8 1.484E-7 3.317E-7 7.4179999999E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.000041469999999 0.000092719999999 609-14-3 701 144208336 A B Ethyl-2-methyl acetoacetate O=C(C)C(C)C(=O)OCC Tox21_201138 -NCGC00262907-01 196725991 tox21-ror-cho-viability-p1 set3 4 0.0059557173 9.509413296 0.490586704 10 0.8999999999 0.3127495151 0.3708352493 2.13135817 3.13854289 -0.42451108 8.78117834 5.97395562 12.16604275 2.48562095 15.21377428 0.72206559 13.95459724 8.78200235 15.73608673 9.49186946 7.06896283 7.07430194 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 202189-78-4 185460 170466329 A Ac Bilastine O=C(O)C(C)(C)c4ccc(CCN1CCC(CC1)c3nc2ccccc2n3CCOCC)cc4 Tox21_113905 -NCGC00159481-03 196725573 tox21-ror-cho-viability-p1 set3 4 3.57352077 2.4392723 0.42606031 3.54253186 -1.77149324 -1.44680843 2.450441 -0.05294079 1.05765668 4.634467 3.18698384 0.80852989 0.74691876 -0.89865925 -0.009189 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64506-49-6 5282219 170466017 A Sofalcone C/C(C)=C\COc1ccc(cc1)/C=C/C(=O)c2ccc(cc2OCC(=O)O)OC\C=C(/C)C Tox21_111705_1 -NCGC00255768-01 196700686 tox21-ror-cho-viability-p1 set1 4 -18.44730868 -2.56998249 -4.04839228 -21.33297858 -16.89160895 -13.9483944 -10.57872664 0.05396639 -18.61589941 -13.33033114 -17.50702352 -20.3680216 -19.17544142 -17.53921723 -17.9305268 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 535-87-5 12062 144212365 D A 3,5-Diaminobenzoic acid Nc1cc(cc(N)c1)C(=O)O Tox21_302048 -NCGC00255289-01 196700680 tox21-ror-cho-viability-p1 set1 -2.1 61.8773215692 -108.7824866704 0.5427321509 -108.2397545195 2.5884283767 0.9891044404 1.4E-9 0.4132932 -0.74318584 -0.93574798 1.59438063 0.94816075 0.75415091 1.75932887 1.88027522 1.41214399 2.55626234 2.57286446 -2.32198456 -10.93254722 -26.98624856 -81.99981403 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 148081-72-5 119193 144211562 A A 1-O-Hexyl-2,3,5-trimethylhydroquinone Cc1cc(OCCCCCC)c(C)c(C)c1O Tox21_301245 -NCGC00255698-01 196701089 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -11.636288888 0 -11.636288888 1.8579476909 0.4980856036 0.1828032574 0.21762642 -0.46146815 -5.06362498 -2.02909728 2.60695636 0.20428418 0.61486792 0.55740338 3.58255316 3.36218186 -0.55006003 0.48072681 -2.72974436 -2.20334013 -8.03024074 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67375-30-8 3086172 144212324 A alpha-Cypermethrin Cl/C(Cl)=C/[C@@H]3[C@H](C(=O)O[C@@H](C#N)c2cccc(Oc1ccccc1)c2)C3(C)C Tox21_302007 -NCGC00258073-01 196701514 tox21-ror-cho-viability-p1 set1 4 0.90958386 1.88488674 0.70939344 -0.30187605 1.22237429 5.44881338 -0.51608904 3.09908193 7.64591648 2.25094472 2.867267 -1.29446303 1.50905333 3.14454061 2.65871081 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.613E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.00001848 0.00004133 0.00009242 21436-96-4 88898 144207717 A A 2,4-Dimethylaniline hydrochloride Cl.Cc1ccc(N)c(C)c1 Tox21_200519 -NCGC00257725-01 196701529 tox21-ror-cho-viability-p1 set1 4 68.3804186691 -19.574875928 1.5 -18.074875928 4.9549173134 0.8787644911 0.0008416879 -0.68575598 1.64847312 0.51353598 2.14812618 2.2663748 2.41061649 4.37381178 1.81415401 -0.43735444 1.82400772 -1.0592548 1.18755006 -0.0022893 1.92693461 -14.64572994 1.177E-9 2.631E-9 5.883E-9 1.316E-8 2.942E-8 6.578E-8 1.471E-7 3.289E-7 7.354E-7 0.0000016439999999 0.0000036769999999 0.0000082219999999 0.00001839 0.00004111 0.00009193 52253-69-7 40301 144207369 A B 2-Amino-4-phenylthiazole hydrobromide hydrate Br.O.Nc1nc(cs1)c2ccccc2 Tox21_200171 -NCGC00090874-04 196701921 tox21-ror-cho-viability-p1 set1 4 1.625434 1.17841684 -9.013429 0.51723522 -0.22174653 -0.7510979 -0.09461668 -15.15563944 -6.10409605 -7.41196297 0.48280283 1.30186213 -7.25839155 -1.02993883 -7.051481 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00258692-01 196701929 tox21-ror-cho-viability-p1 set1 4 -1.9150539 3.21249099 2.08394118 8.81842613 2.58964164 2.74228253 4.09744576 3.62770517 2.22116702 -2.57399109 0.73471548 3.34861557 6.58477955 5.27908764 4.93907718 1.241E-9 2.775E-9 6.2049999999E-9 1.387E-8 3.1019999999E-8 6.9369999999E-8 1.5509999999E-7 3.4689999999E-7 7.7559999999E-7 0.0000017339999999 0.000003878 0.0000086709999999 0.00001939 0.00004336 0.00009695 142-28-9 8881 144208338 AC Fc 1,3-Dichloropropane ClCCCCl Tox21_201140 -NCGC00257564-01 196701942 tox21-ror-cho-viability-p1 set1 4 19.1543877204 6.7555055999 -2.7555055999 4 4.9549173134 0.5149429068 0.1672157215 -0.14800484 -3.9320023 -4.3142066 -0.05451948 -6.879588 -6.08345541 -2.93114622 -0.08155996 -5.41042434 0.18797754 -0.16166528 -4.09955536 0.18702479 3.58177884 4.25178963 1.171E-9 2.618E-9 5.8549999999E-9 1.3089999999E-8 2.927E-8 6.546E-8 1.464E-7 3.2729999999E-7 7.3179999999E-7 0.0000016359999999 0.0000036589999999 0.000008182 0.0000183 0.000040909999999 0.00009148 1490-04-6 1254 144207208 A A Menthol CC(C)C1CCC(C)CC1O Tox21_200010 -NCGC00258321-01 196702338 tox21-ror-cho-viability-p1 set1 4 0.66541962 0.31925474 -0.66966398 1.85035058 1.24003501 -0.74403407 1.34613129 0.65274404 0.02495021 0.02896775 2.03000667 -1.79490248 -0.58314449 4.01388525 1.22883239 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 79-40-3 2777982 144207965 A Dithiooxamide NC(=S)C(N)=S Tox21_200767 -NCGC00258389-01 196702345 tox21-ror-cho-viability-p1 set1 4 -2.53515082 -3.22520232 0.48633397 -0.15864462 3.46979475 -2.8605788 4.87034055 -5.08163622 1.54604298 0.13199551 0.76963797 2.72323624 4.6719289 2.55284316 1.13851048 1.182E-9 2.6419999999E-9 5.909E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.386E-7 0.0000016519999999 0.000003693 0.000008258 0.00001846 0.00004129 0.000092319999999 3113-71-1 18370 144208033 A A 3-Methyl-4-nitrobenzoic acid Cc1cc(ccc1[N+](=O)[O-])C(=O)O Tox21_200835 -NCGC00258553-01 196716111 tox21-ror-cho-viability-p1 set2 4 -3.44378702 -2.1127627 -4.18225096 -1.57629839 -1.44516106 -0.9483271 -2.127814 3.48715479 -1.53945025 -1.20793695 -3.41810862 -3.76406133 -2.59501964 0.38517597 -4.42675543 1.19E-9 2.661E-9 5.951E-9 1.331E-8 2.975E-8 6.653E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.000003719 0.000008317 0.0000186 0.00004158 0.00009298 96-33-3 7294 144208198 FNS Methyl acrylate C=CC(=O)OC Tox21_201000 -NCGC00258131-01 196716094 tox21-ror-cho-viability-p1 set2 4 -0.68827692 3.09505704 1.75087897 1.55489227 -0.18718827 -1.5533947 -1.29523892 1.08917072 0.61025219 0.11143597 -1.54185671 1.00354604 0 0.14037441 3.58173926 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 65039-09-0 2734160 144207775 A A 1-Ethyl-3-methylimidazolium chloride [Cl-].C[n+]1ccn(CC)c1 Tox21_200577 -NCGC00258705-01 196716098 tox21-ror-cho-viability-p1 set2 -2.2 26.2989650002 -40.3297117632 3 -37.3297117632 2.1876167061 0.9758149161 1.421E-7 3.65223191 4.98555644 1.21263077 2.63244235 4.35728022 1.00809054 3.26775249 3.51062505 6.06631448 1.77888284 1.64319797 0.06946987 -8.82937967 -22.6468872 -38.88511642 1.039E-9 2.324E-9 5.197E-9 1.1619999999E-8 2.598E-8 5.81E-8 1.299E-7 2.9049999999E-7 6.4959999999E-7 0.000001453 0.000003248 0.000007263 0.000016239999999 0.00003631 0.0000812 17924-92-4 5281576 144208351 A A Zearalenone Oc1cc(O)cc2C=CCCCC(=O)CCC[C@H](C)OC(=O)c12 Tox21_201153 -NCGC00016354-11 196717161 tox21-ror-cho-viability-p1 set2 4 -1.80610174 1.56046413 -0.57941758 -0.08142709 -2.40921631 0.85606244 -2.20745747 1.79196298 -1.28292577 -0.26588948 -2.75635937 -2.85148708 0.85603021 0.92799583 -1.48299482 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-26-8 7184 170465688 Ac Butylparaben Oc1ccc(cc1)C(=O)OCCCC Tox21_110393_1 -NCGC00263657-01 196716760 tox21-ror-cho-viability-p1 set2 4 0.26475715 0.97076341 2.69713576 3.16114262 6.52082449 4.42021677 4.66810529 5.71727367 1.01121375 -0.2059161 0.47026674 0.19812813 -0.43657555 -0.25209201 -0.21276479 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 40596-69-8 5366546 170466306 F Methoprene CC(C)OC(=O)\C=C(/C)\C=C\CC(C)CCCC(C)(C)OC Tox21_111019_1 -NCGC00016375-09 196716761 tox21-ror-cho-viability-p1 set2 4 -6.86097222 -1.86456874 -6.82918246 -1.00394935 0.20271935 -1.13136364 0.96014077 -4.42107808 -3.28405178 -4.68039323 -2.75565372 0.71500927 0.4013756 1.17022218 -2.96361803 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122-11-2 5323 170465690 A Sulfadimethoxine COc2nc(NS(=O)(=O)c1ccc(N)cc1)cc(OC)n2 Tox21_110405_1 -NCGC00027960-03 196717159 tox21-ror-cho-viability-p1 set2 4 -0.80698823 -2.62165556 -0.26801961 -0.25395124 -1.27755732 -1.99627099 -0.43421481 -0.32611439 -4.04925578 -4.53495853 -3.13271471 -2.55102338 -1.16283372 -2.07367405 0.48799004 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21434-91-3 30627 170466225 A Capobenic acid COc1c(cc(cc1OC)C(=O)NCCCCCC(=O)O)OC Tox21_110972_1 -NCGC00016283-04 196717164 tox21-ror-cho-viability-p1 set2 4 0.0037578036 15.8819846999 -11.8819846999 4 0.2 0.4602129681 0.2168849874 -5.36844218 -8.23498725 0.90999378 -6.19445428 -1.28991098 -3.60507731 0.91319175 -0.9079575 -0.82388004 0.20481645 -2.35340893 0.82873926 0.64164708 -1.73376691 6.19347523 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62-97-5 6126 170464876 A Diphemanil methylsulfate [O-]S(=O)(=O)OC.C[N+]1(C)CC\C(CC1)=C(\c2ccccc2)c3ccccc3 Tox21_110349_1 -NCGC00160623-04 196717166 tox21-ror-cho-viability-p1 set2 4 2.66634661 1.30091617 0.97566805 3.88355689 3.40124404 7.41040269 6.07424465 4.41584479 4.44230302 3.97271422 4.24379874 2.54371622 2.70673809 0.78315301 1.24878518 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5466-77-3 21630 170464894 A Octinoxate COc1ccc(C=CC(=O)OCC(CC)CCCC)cc1 Tox21_111942_1 -NCGC00179248-03 196717167 tox21-ror-cho-viability-p1 set2 4 -1.80613781 -0.54644716 -2.44575105 -5.51498127 -2.20415878 -2.60950953 -0.70109554 -0.03442619 -3.43874258 -1.37484953 -0.13141204 0.00545725 1.1009607 1.35135961 3.73435158 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23964-57-0 32169 170464825 A Articaine hydrochloride Cl.O=C(Nc1c(scc1C)C(=O)OC)C(C)NCCC Tox21_110609_1 -NCGC00253770-01 196717180 tox21-ror-cho-viability-p1 set2 4 -0.67132765 0.82668071 1.43276436 2.16594702 5.18304469 5.25358265 6.3275272 9.0902907 2.05255959 5.37966194 8.04396251 6.61037879 6.50699917 5.72580388 5.92040802 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 75887-54-6 72416 170466068 F Artemotil CC12O[C@H]4O[C@H](OCC)[C@H](C)[C@@H]3CC[C@@H](C)[C@H](CC1)[C@@]34OO2 Tox21_113883 -NCGC00090708-05 196717181 tox21-ror-cho-viability-p1 set2 -1.2 3.4376242854 -34.4825464083 -1.7618822949 -36.2444287032 2.3331733767 0.9388440215 0.000025042 -6.10003673 -1.2034751 0.89926497 -2.13353241 -0.56126294 -1.59983366 -0.00477251 -1.99691983 -2.51724594 -5.66033777 -22.20066629 -27.21940991 -46.71955798 -34.08648526 -31.69716463 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00253671-01 196717574 tox21-ror-cho-viability-p1 set2 4 0.2984929481 -4.93785472 5 0.06214528 4.9549173134 0.4723953529 0.2227652508 4.893227 4.84626426 1.05340183 1.82951762 3.60145692 5.14192763 9.30210207 8.90195301 -0.30513534 0.15972006 1.62420229 -1.01754841 -2.0315456 2.82148852 3.72975697 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16883-16-2 85624 170466720 F F Pmic chloride ClC(=O)c2c(C)onc2c1ccccc1 Tox21_113795 -NCGC00094854-07 196717575 tox21-ror-cho-viability-p1 set2 4 3.27804556 4.07694527 -0.28435533 3.5501966 3.69696203 5.21281948 4.86077244 0.39096477 0.90530561 3.15288149 7.26566473 -0.18183332 1.6854121 3.53876453 2.63161611 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97-59-6 204 170465460 Z Allantoin O=C1NC(=O)NC1NC(=O)N Tox21_110395_1 -NCGC00183841-01 196713439 tox21-ror-cho-viability-p1 set2 4 29.8492948118 -13.731049824 1.5 -12.231049824 4.0949729863 0.7806663119 0.0118811421 0.41884258 3.32796638 2.86927082 2.53058944 -1.45421064 2.24611082 2.30081902 2.52143281 -1.64599717 2.84604817 0.35211517 1.7412035 -0.52049328 -0.55475983 -10.19254152 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 22661-76-3 31473 144206871 A A Amoproxan COc1cc(cc(OC)c1OC)C(=O)OC(CN2CCOCC2)COCCC(C)C Tox21_113320 -NCGC00159419-04 196713032 tox21-ror-cho-viability-p1 set2 4 0.64238521 4.65245934 2.70375549 -1.91539739 -0.1263782 -0.05455828 -1.27584244 1.28424386 1.59957451 -0.86318281 0.68441678 0.05658826 -0.30042709 1.64505909 2.83369554 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-44-3 2294 170465829 A Barbital O=C1NC(=O)NC(=O)C1(CC)CC Tox21_111650_1 -NCGC00262961-01 196717562 tox21-ror-cho-viability-p1 set2 4 0.83284075 2.07080132 1.01410035 3.32115581 1.56136483 -6.08099011 -6.99007954 -0.0822518 0.7862634 2.43328158 3.53593417 -0.72549951 -0.56252894 -0.29487462 0.64204822 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 110816-79-0 196639 170465975 A I Cromoglicate lisetil O=C(OCC)C=4Oc3cccc(OCC(OC(=O)[C@@H](N)CCCCN)COc1cccc2OC(=CC(=O)c12)C(=O)OCC)c3C(=O)C=4 Tox21_113952 -NCGC00247724-01 196717135 tox21-ror-cho-viability-p1 set2 4 -3.16521322 -11.33408462 -3.91586017 -1.18856352 -2.19344504 -3.7278173 0.33582192 -2.80459297 -10.46770377 -10.43406687 -4.83980294 -1.03337623 -8.58906152 0.7264916 -2.39138647 1.157E-9 2.587E-9 5.784E-9 1.293E-8 2.892E-8 6.466E-8 1.446E-7 3.2329999999E-7 7.229E-7 0.000001617 0.000003615 0.000008083 0.000018069999999 0.000040409999999 0.00009037 487-93-4 10257 144206443 Z Z Bufotenine CN(C)CCc2cnc1ccc(O)cc12 Tox21_112890 -NCGC00091151-04 196717553 tox21-ror-cho-viability-p1 set2 4 -0.89437359 1.04590296 2.85849881 -0.83847357 6.1159067 8.15022888 1.90256387 -0.84742947 3.26317104 1.12340679 3.13573173 2.88171721 0.98515342 0.01791825 -0.26037945 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122-59-8 19188 170465537 Ac Phenoxyacetic acid O=C(O)COc1ccccc1 Tox21_111092_1 -NCGC00244579-01 196717554 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -53.2205929908 -2.169783916 -55.3903769068 4.9549173134 0.9362634867 0.0000312806 -9.13192906 -5.11055508 -2.02241074 -3.06173526 -5.41350804 -5.55533818 -2.99366445 1.14992098 0.0503521 0.10628654 0.25689485 -0.03005368 -0.24542593 -5.11074419 -45.54791818 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00016777-08 196717965 tox21-ror-cho-viability-p1 set2 4 1.33451803 0.36346276 1.02753981 0.0206327 4.39236895 0.8350515 3.90009815 3.56096156 -0.06412752 0.73062638 2.72506302 0.38592173 0.80464729 0.17262431 2.12979044 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23288-49-5 4912 170464772 A Probucol CC(C)(C)c2cc(SC(C)(C)Sc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)cc(c2O)C(C)(C)C Tox21_110605_1 -NCGC00016410-13 196717974 tox21-ror-cho-viability-p1 set2 4 0.0066824247 9.734993312 -10.234993312 -0.5 3.0654483358 0.7756387654 0.0128833306 -10.44509173 -6.22083091 -13.94582776 -3.64760947 -2.99251278 0.31285623 -2.04170893 -1.12028952 0.31677328 -1.89627139 -2.90542159 0.49993024 1.44563272 -0.12860751 0.95968928 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 148-79-8 5430 170464939 A Thiabendazole n1c3ccccc3nc1c2cscn2 Tox21_110427_1 -NCGC00023699-09 196717976 tox21-ror-cho-viability-p1 set2 4 0.44020319 -0.65384638 0.40113508 1.6200988 1.87523107 2.7168779 6.11025214 4.57327175 6.11388094 3.52481616 0.09098883 3.54803509 0.25826112 -0.34890644 0.91754484 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 153-61-7 6024 170465101 F Cephalothin O=C(O)C=2N3C(=O)[C@@H](NC(=O)Cc1cccs1)[C@H]3SCC=2COC(C)=O Tox21_111579_1 -NCGC00258567-01 196730470 tox21-ror-cho-viability-p1 set3 4 0.864370382 7.071198184 -0.071198184 7 3.9294729863 0.7591548779 0.0171394322 0.49839702 1.52159267 -1.30933182 0.67622905 -0.26245676 0.90779204 -0.53722882 0.31900008 1.3485492 11.85874169 4.74698936 5.69977217 5.82675795 5.48095271 7.56924093 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.00009229 59820-43-8 62158 144208212 A A HC Yellow 4 [O-][N+](=O)c1cc(OCCO)c(cc1)NCCO Tox21_201014 -NCGC00257725-01 196730048 tox21-ror-cho-viability-p1 set3 4 1.49216756 -5.77676512 0.13698748 0.33183996 -0.02853172 -2.81155326 -2.32738951 -2.80300559 -0.16542652 1.99976495 0.9739732 2.35279322 -5.57288277 -3.01893752 -2.9240846 1.177E-9 2.631E-9 5.883E-9 1.316E-8 2.942E-8 6.578E-8 1.471E-7 3.289E-7 7.354E-7 0.0000016439999999 0.0000036769999999 0.0000082219999999 0.00001839 0.00004111 0.00009193 52253-69-7 40301 144207369 A B 2-Amino-4-phenylthiazole hydrobromide hydrate Br.O.Nc1nc(cs1)c2ccccc2 Tox21_200171 -NCGC00257778-01 196730457 tox21-ror-cho-viability-p1 set3 4 1.79947489 0.43162634 -0.34758285 -0.06633533 1.34067874 -0.63542447 0.24667904 0.27451755 -0.58830104 3.09414173 0.40388608 1.00968878 2.46602882 0.14085956 -0.36686772 1.474E-9 3.2969999999E-9 7.372E-9 1.648E-8 3.6859999999E-8 8.2419999999E-8 1.8429999999E-7 4.121E-7 9.214E-7 0.0000020599999999 0.000004607 0.0000103 0.00002304 0.000051509999999 0.0001152 9005-07-6 5378708 144207422 D Polyethylene glycol dioleate O=C(CCCCCCC/C=C\CCCCCCCC)OCCOC(=O)CCCCCCC/C=C\CCCCCCCC Tox21_200224 -NCGC00258424-01 196730465 tox21-ror-cho-viability-p1 set3 4 -3.44083698 -5.32995346 -1.0021092 -7.17782119 -0.81417505 -3.70331519 -3.5017857 0.11647956 -3.59308277 1.23012574 -0.8465882 1.09840822 1.14582915 1.76571949 2.79360741 1.165E-9 2.6039999999E-9 5.8229999999E-9 1.302E-8 2.912E-8 6.51E-8 1.456E-7 3.255E-7 7.2789999999E-7 0.000001628 0.000003639 0.0000081379999999 0.0000182 0.00004069 0.00009099 770-05-8 102484 144208068 A A Octopamine hydrochloride Cl.OC(CN)c1ccc(O)cc1 Tox21_200870 -NCGC00260139-01 196703575 tox21-ror-cho-viability-p1 set1 -2.2 21.1556882629 -40.6589793449 0.4519923609 -40.206986984 0.9999999999 0.9153905371 0.0001381052 1.08826051 -3.19343639 2.09036761 6.14092057 -5.75973667 -0.00938326 -0.05130525 0.99934039 0.42797004 0.91857781 -4.29439876 -12.6129295 -20.08601282 -20.23289864 -34.33915582 1.0499999999E-9 2.347E-9 5.2489999999E-9 1.174E-8 2.624E-8 5.868E-8 1.312E-7 2.9339999999E-7 6.561E-7 0.000001467 0.0000032799999999 0.0000073349999999 0.0000164 0.00003668 0.00008201 50-44-2 667490 144209789 A A 6-Mercaptopurine S=C2NC=Nc1ncnc12 Tox21_202591 -NCGC00357247-01 196703561 tox21-ror-cho-viability-p1 set1 4 0.26349606 -0.6129958 -0.55107604 3.59179608 2.12569421 -0.05649992 -0.3301213 -2.0839959 -0.47785857 -1.21576024 -0.82312514 1.92093382 0.26732699 0.32520257 0.48107132 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-05-0 31282 251919860 F 1,2-Bis((chlorocarbonyl)oxy)ethane ClC(=O)OCCOC(=O)Cl Tox21_304040 -NCGC00357112-01 196703566 tox21-ror-cho-viability-p1 set1 4 4.42314759 1.7344972 -5.13289609 -0.22353941 5.4236578 0.51007693 0.44635789 2.02668276 -0.90917757 0.98464855 1.5807807 3.03923167 1.17570953 0.74769715 5.60858034 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5655-61-8 93009 251919910 Ac (-)Bronyl acetate CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C Tox21_303841 -NCGC00357074-01 196703574 tox21-ror-cho-viability-p1 set1 4 0.685896219 -19.295724912 2 -17.295724912 0.2 0.5414299885 0.159689249 0.84349645 -6.57609615 -3.02447329 -2.17946215 -3.52264691 -11.09479085 -6.98683853 -5.0225771 -4.98072529 -12.11274547 -6.67140907 -7.99854876 -10.62617354 -13.57977076 10.60530586 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4385-05-1 78091 251919806 Ac N,N-Dimethyl-2-(morpholin-4-yl)ethanamine CN(C)CCN1CCOCC1 Tox21_303783 -NCGC00260406-01 196703581 tox21-ror-cho-viability-p1 set1 4 -3.02015819 -2.94798927 -0.08876879 0.29684595 0.59935855 -2.22669144 -12.28545768 2.85467852 0.55029234 0.34198514 -0.71297815 0.9736871 -6.08282985 -3.11529714 -12.58789259 1.208E-9 2.702E-9 6.041E-9 1.3509999999E-8 3.021E-8 6.754E-8 1.51E-7 3.3769999999E-7 7.552E-7 0.000001689 0.0000037759999999 0.0000084429999999 0.00001888 0.00004222 0.0000944 623-51-8 12185 144210058 A Acetic acid,mercapto-,ethylester O=C(OCC)CS Tox21_202860 -NCGC00258121-01 196702776 tox21-ror-cho-viability-p1 set1 4 61.3171122755 -10.728882204 2 -8.728882204 3.2974983358 0.5518235116 0.1364056913 3.03271576 1.59030503 1.41158332 4.77379139 0.9572667 -0.1551646 3.32039384 -0.53112006 7.22084388 1.21181045 0.0969718 0.92642057 1.62863808 -0.14575634 -6.44073517 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3079999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.000008269 0.000018489999999 0.00004135 0.00009245 2531-84-2 17321 144207765 A A 2-Methylphenanthrene Cc1cc2ccc3ccccc3c2cc1 Tox21_200567 -NCGC00258643-01 196702358 tox21-ror-cho-viability-p1 set1 4 7.41719792 1.52582281 1.57313825 7.1771682 0.75598262 3.35791933 3.04405686 0.73427198 -1.04410702 3.55543124 -0.68359429 3.12725543 1.11482064 1.24533594 2.98557409 1.2009999999E-9 2.687E-9 6.007E-9 1.3429999999E-8 3.0039999999E-8 6.7169999999E-8 1.5019999999E-7 3.358E-7 7.509E-7 0.000001679 0.0000037549999999 0.000008396 0.000018769999999 0.000041979999999 0.00009387 99-94-5 7470 144208289 A A 4-Methylbenzoic acid Cc1ccc(cc1)C(O)=O Tox21_201091 -NCGC00258689-01 196702753 tox21-ror-cho-viability-p1 set1 4 2.44851385 -1.53890129 3.44230115 8.05909902 3.08700397 -1.25078417 2.41214265 0.29738103 3.85151866 2.60284199 2.12928953 -1.68045002 2.98764994 -1.5681918 -0.66817601 1.1689999999E-9 2.614E-9 5.8459999999E-9 1.3069999999E-8 2.9229999999E-8 6.536E-8 1.461E-7 3.268E-7 7.3069999999E-7 0.0000016339999999 0.000003653 0.000008169 0.00001827 0.00004085 0.00009134 14375-45-2 5375199 144208335 A A Abscisic acid OC1(/C=C/C(/C)=C\C(=O)O)C(C)=CC(=O)CC1(C)C Tox21_201137 -NCGC00257773-01 196702762 tox21-ror-cho-viability-p1 set1 -2.1 61.130564862 -105.0048067715 1.386651713 -103.6181550585 3.6272481694 0.9869275111 4E-9 0.97317206 -0.19108239 1.56877569 3.51690552 2.85466587 2.03594977 2.29021786 -0.01869215 6.47812743 0.86681225 1.60719407 0.09800142 -7.07667573 -17.62982925 -84.65535544 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 538-71-6 10866 144207417 A A Domiphen bromide [Br-].CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 Tox21_200219 -NCGC00257969-01 196702777 tox21-ror-cho-viability-p1 set1 4 78.9195238441 -18.9619725799 0 -18.9619725799 0.4 0.3852432835 0.2868152264 -0.22655181 0.93898188 -0.3998692 -1.01669204 1.43189818 -2.04693533 -0.92503952 -10.49576202 -3.1049447 0.48561965 -7.91746152 2.16401853 -4.82403537 -14.13497715 -8.66947717 1.2049999999E-9 2.695E-9 6.027E-9 1.348E-8 3.013E-8 6.738E-8 1.507E-7 3.3689999999E-7 7.534E-7 0.000001685 0.0000037669999999 0.000008423 0.000018829999999 0.000042109999999 0.00009417 868-77-9 13360 144207613 A A 2-Hydroxyethyl methacrylate C=C(C)C(=O)OCCO Tox21_200415 -NCGC00260413-01 196703170 tox21-ror-cho-viability-p1 set1 4 77.115374479 -13.89216966 -1 -14.89216966 4.9549173134 0.6268936787 0.0796622101 -1.07298869 -0.15078992 0.52814722 -0.74172871 0.46102097 -1.58398453 -1.35570016 0.24158614 -0.29954118 -7.33076187 -3.23567226 0.83199554 -1.77584013 0.10256592 -11.57680805 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.61E-8 1.4779999999E-7 3.305E-7 7.3909999999E-7 0.0000016529999999 0.0000036949999999 0.000008263 0.00001848 0.00004131 0.000092379999999 73367-80-3 175468 144210065 D A 12-BromododecanoicAcid O=C(O)CCCCCCCCCCCBr Tox21_202867 -NCGC00259459-01 196703191 tox21-ror-cho-viability-p1 set1 -1.1 5.4371879846 -108.3120588917 -1.407970314 -109.7200292057 0.7 0.9717589685 3.44E-7 -3.97662436 -0.27748423 -6.04182901 -6.03106973 -3.32860454 0.3019004 -0.37453496 -17.21297234 -33.25899851 -39.39758074 -43.8997595 -53.08674087 -83.47959457 -91.93604066 -93.77780274 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.586E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009204 137-30-4 8722 144209108 FNS Ziram [Zn+2].S=C([S-])N(C)C.CN(C)C([S-])=S Tox21_201910 -NCGC00260651-01 196703192 tox21-ror-cho-viability-p1 set1 4 5.9557173066 -8.5922166959 2 -6.5922166959 4.9549173134 0.4199425212 0.2706599264 0.45033329 -0.32766616 0.39790411 3.58874037 -1.23896046 3.55507552 0.69959647 1.10565967 7.71158443 0.40694402 5.40013982 4.22014307 -12.16018058 -1.04872475 -0.98469543 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49547 144210304 M M NTP Mix92 ER AR1 18-EQP Tox21_203106 -NCGC00259598-01 196721713 tox21-ror-cho-viability-p1 set3 4 31.7002307928 8.0655124399 -3.5655124399 4.5 4.9549173134 0.4695004162 0.2077337389 -5.88655516 -1.19759634 -4.96378741 4.3911502 -4.02263452 -3.84240809 -5.58303653 -5.07806973 -4.46304922 -1.36922073 -6.17116399 -3.68386555 -6.3045937 4.68082492 3.39314097 1.214E-9 2.715E-9 6.07E-9 1.357E-8 3.035E-8 6.786E-8 1.517E-7 3.393E-7 7.587E-7 0.000001697 0.000003794 0.000008483 0.00001897 0.00004242 0.000094839999999 77-71-4 6491 144209247 A A 5,5-Dimethylhydantoin O=C1NC(=O)C(C)(C)N1 Tox21_202049 -NCGC00258995-01 196721705 tox21-ror-cho-viability-p1 set3 -2.4 34.0269508754 -28.2618978439 -5.153474372 -33.4153722159 1.34431 0.9394918956 0.0000237871 -6.90236416 -2.62789531 -4.4436181 -3.07441468 -6.69279056 -4.78292012 -8.40573927 -4.40618464 -6.94539726 -4.3316072 -6.40170257 -9.52953611 -15.39481506 -18.80802612 -29.51281018 1.1699999999E-9 2.6159999999E-9 5.85E-9 1.3079999999E-8 2.925E-8 6.5409999999E-8 1.463E-7 3.27E-7 7.3129999999E-7 0.000001635 0.000003656 0.000008176 0.00001828 0.00004088 0.00009141 486-66-8 5281708 144208642 A A Daidzein Oc1ccc(cc1)C3=COc2cc(O)ccc2C3=O Tox21_201444 -NCGC00090770-09 196717994 tox21-ror-cho-viability-p1 set2 4 -2.30362252 -2.55919018 -3.07445607 -6.29772655 -2.97067717 0.87624861 1.05904171 -3.35276642 -2.01277437 0.80406186 -1.97249476 -2.09603257 -3.27723129 -3.9396481 0.41015386 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-14-3 6035 170465870 A 5-Bromo-2'-deoxyuridine BrC1=CN(C(=O)NC1=O)[C@H]2C[C@H](O)[C@@H](CO)O2 Tox21_111016_1 -NCGC00163919-02 196717589 tox21-ror-cho-viability-p1 set2 4 24.9068469976 -11.028457336 2 -9.028457336 2.3031167061 0.7899972692 0.0098938747 1.59999967 0.10634223 2.63865412 4.48810962 1.1410131 6.33377521 4.35311335 0.43709648 1.80460068 0 0.39347965 0.81506043 -1.37854269 -6.96125234 -8.35704778 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00181794-01 196717590 tox21-ror-cho-viability-p1 set2 4 2.22394785 3.40160731 0.13509328 0.10376036 4.87678403 2.96566069 2.99017485 1.5767611 1.34971283 3.20886098 -0.02034204 0.07805609 0.23883766 2.39471482 3.87246914 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 109732-56-1 57372628 144207154 M M Dimethyl(2-phenoxyethyl)-2-thenylammonium iodide [I-].C[N+](C)(Cc1cccs1)CCOc2ccccc2 Tox21_113605 -NCGC00160682-02 196717989 tox21-ror-cho-viability-p1 set2 4 0.40069209 -0.55654729 0.13067881 3.58557355 3.18629249 3.24735244 3.68690677 3.86080251 3.27565545 3.01855848 0.90320876 2.04065049 -0.21184918 3.43752677 0.99557868 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-14-4 7176 170466550 A Isocaine Nc1ccc(cc1)C(=O)OCC(C)C Tox21_111985_1 -NCGC00262952-01 196718000 tox21-ror-cho-viability-p1 set2 -3 33.4914596268 -81.2989854433 1.034941934 -80.2640435093 4.9549173134 0.9772352252 1.002E-7 0.60948225 1.06421902 3.31552847 -0.60674671 -0.4573858 -4.98169591 -0.29845852 -0.44626688 0.33704018 4.24352495 3.29698853 0.5931372 2.24028284 -0.77730684 -70.40705571 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 700-13-0 12785 170466733 F F 2,3,5-Trimethylhydroquinone Oc1cc(C)c(O)c(C)c1C Tox21_113944 -NCGC00094437-05 196718005 tox21-ror-cho-viability-p1 set2 4 3.1884829 -0.51590478 0.39119936 3.09722826 3.75312092 7.60702826 11.07803743 5.17668884 0.1157852 -0.16715732 0.26479622 0.84566431 0.73465386 1.72676441 3.00633625 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 153-94-6 9060 170465485 A d-Tryptophan O=C(O)[C@H](N)Cc2cnc1ccccc12 Tox21_111205_1 -NCGC00091602-02 196718006 tox21-ror-cho-viability-p1 set2 4 67.7534495245 -15.911452904 1 -14.911452904 4.5044702849 0.7790314744 0.0121865821 -1.04688467 -1.08472083 1.64565507 3.99857626 2.5395986 4.24523335 2.60939891 1.4138528 -0.41512567 -0.25705391 -1.26477526 1.96860858 1.37935765 -0.4694224 -11.59287742 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00167514-02 196718009 tox21-ror-cho-viability-p1 set2 4 26.6032120037 -17.28935862 4 -13.28935862 1.98874246 0.6956748002 0.0404290756 0.06852531 1.24765178 0.08999421 4.54706929 5.91196192 4.24672022 6.22952189 8.71085249 3.47220356 1.95336893 4.85560982 5.01261301 0.51717288 -1.83737329 -9.40779885 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 965-90-2 13765 170465211 F Ethylestrenol C[C@]32CC[C@@H]1[C@H]4CCCC=C4CC[C@H]1[C@@H]3CC[C@@]2(O)CC Tox21_112512_1 -NCGC00091775-03 196718011 tox21-ror-cho-viability-p1 set2 -2.4 10.8707224818 -20.273591852 -1.5 -21.773591852 2.2526478767 0.8872257943 0.0005852348 1.57518468 -2.90211822 -7.25158866 -5.86628087 -1.09155853 -0.09837556 1.58880113 2.73377195 -1.97651144 -3.50386811 -2.05244814 -7.83394436 -18.35131019 -20.00069769 -21.47799321 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00016610-07 196722496 tox21-ror-cho-viability-p1 set3 4 4.77343621 0.46862649 -1.05779361 -0.05044934 1.84455815 -1.17586432 0.19227207 0.5090533 9.7354973 11.65469919 16.56549335 1.77614963 6.34279769 -5.3363567 -6.02806892 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2398-96-1 5510 170465508 A Tolnaftate Cc1cc(ccc1)N(C)C(=S)Oc2ccc3ccccc3c2 Tox21_110521_1 -NCGC00257295-01 196718396 tox21-ror-cho-viability-p1 set2 4 0.80786101 -1.58244801 -0.32789646 1.5360956 -2.44917669 -0.10827053 -11.89491417 1.26432745 -0.40911352 -1.20385253 -3.37195531 -0.80222476 -1.43959405 -5.86738289 1.9055382 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-66-3 8205 144213769 A Fc Dodecyl acetate CC(=O)OCCCCCCCCCCCC Tox21_303459 -NCGC00015455-10 196717979 tox21-ror-cho-viability-p1 set2 4 23.7101376556 -20.54255808 4 -16.54255808 0.7999999999 0.6847176039 0.0455441238 1.52646513 0.053369 3.81979308 3.23968429 6.33684214 6.25232493 7.09348167 7.08633328 0.65921541 -0.58035668 1.88964836 -2.10040155 -1.06749864 -1.62277377 -12.1187984 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72509-76-3 3333 170464849 A Felodipine CC=1NC(C)=C(C(C=1C(=O)OCC)c2cccc(Cl)c2Cl)C(=O)OC Tox21_110155_1 -NCGC00016261-08 196717981 tox21-ror-cho-viability-p1 set2 4 4.2163249602 13.736324664 -6.236324664 7.5 0.4 0.6274842073 0.0787859647 -8.20053647 -1.74228485 -5.72457636 -7.38459146 -3.30810549 -5.89300281 -0.65801968 -8.94693722 -0.17094724 0.09478942 0.11323263 0.02735409 0.55875923 1.32354124 5.43186931 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 65-23-6 1054 170464634 Z Pyridoxine Oc1c(CO)c(cnc1C)CO Tox21_113644_1 -NCGC00257097-01 196718389 tox21-ror-cho-viability-p1 set2 4 1.05000843 0.13801201 2.05185379 0.36309902 2.08285356 3.32927683 -2.03158814 3.82273278 1.94190563 0.6772476 -1.46636856 3.24043791 1.30262974 3.45821245 2.37377448 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-09-3 7635 144213635 A A 2-Ethylhexyl acetate O=C(C)OCC(CCCC)CC Tox21_303318 -NCGC00257419-01 196718799 tox21-ror-cho-viability-p1 set2 4 1.56013782 2.36600197 3.59416352 2.04587853 -1.52252786 4.56779187 4.08544989 7.80152176 7.78310906 4.36282223 10.38835668 6.32466441 2.07466097 3.32456353 -0.87545905 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-42-2 31256 144213788 A Diacetone alcohol CC(=O)CC(C)(C)O Tox21_303479 -NCGC00256935-01 196718800 tox21-ror-cho-viability-p1 set2 4 0.1368542878 -4.0781690439 3 -1.0781690439 3.9294729863 0.537333288 0.5964676892 1.66070774 1.86626872 3.02329924 5.14920358 1.16881271 4.59516932 0.20431135 -0.72864591 -2.57194668 -5.06514087 -45.96355663 1.67286833 -0.061153 0.00677256 3.15987174 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 645-62-5 12582 144213460 F F 2-Ethyl-2-hexenal CCC(=CCCC)C=O Tox21_303143 -NCGC00094521-05 196718804 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -16.412378176 0.5 -15.912378176 4.9549173134 0.8364863656 0.0033950739 -0.86486877 0.48616057 0.82501875 0.01727941 -0.19468507 1.29717102 0.10446094 -1.25825114 -2.11201299 -2.33980659 2.04899935 2.45920855 2.02846882 0.10489138 -12.84364848 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009215 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00257458-01 196718810 tox21-ror-cho-viability-p1 set2 4 -0.08195315 -0.01596591 1.94329964 3.72961386 0.44432555 8.64818426 5.40098696 5.37858011 6.49021738 5.33964415 6.67698675 3.67916655 4.62728543 3.76668234 1.33271277 7.196E-10 1.609E-9 3.5979999999E-9 8.046E-9 1.7989999999E-8 4.023E-8 8.995E-8 2.011E-7 4.4979999999E-7 0.000001006 0.000002249 0.000005029 0.000011239999999 0.00002514 0.000056219999999 112-56-1 8196 144213852 A A 2-(2-Butoxyethoxy)ethyl thiocyanate N#CSCCOCCOCCCC Tox21_303547 -NCGC00256909-01 196718813 tox21-ror-cho-viability-p1 set2 4 0.06456798 0.88096753 -0.36259538 -5.9055635 -5.46841098 2.69323826 -6.52678237 2.48658862 2.03267297 -4.58233126 -2.36595901 2.43299152 2.12364394 -2.68245566 -4.83376231 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-73-6 31227 144213935 A Ac Benzyl 3-methylbutyl ether CC(C)CCOCc1ccccc1 Tox21_303630 -NCGC00256523-01 196718816 tox21-ror-cho-viability-p1 set2 4 -0.26861912 1.09546753 0.69672738 0.25508304 -0.29369131 1.27302659 0.75920459 4.15470169 2.45505055 -0.26394894 2.2926254 0.79309634 1.26867066 3.34137984 0.13581148 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 54-31-9 3440 144213288 A A Furosemide NS(=O)(=O)c2cc(c(NCc1ccco1)cc2Cl)C(=O)O Tox21_302971 -NCGC00257463-01 196718819 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -23.776548732 -1 -24.776548732 4.4494702849 0.8801119525 0.0007933752 -0.35631612 -0.62781799 -1.61432663 1.45593301 -3.57268965 1.66901117 1.71493477 -1.06219618 -0.26675077 -0.39108109 -2.58890311 -2.96470328 -4.1636473 -2.88290523 -19.81379061 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1478-61-1 73864 144213946 A A Bisphenol AF Oc1ccc(cc1)C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F Tox21_303641 -NCGC00256357-01 196719213 tox21-ror-cho-viability-p1 set2 4 -5.35055383 2.35512923 3.2835863 -1.6251608 -2.11867627 -4.03459744 1.59936087 3.46124896 1.22173212 2.99980031 0.42943139 -2.32891859 2.15303183 -4.96209881 -2.46669556 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-75-5 6947 144213075 A F 2-Nitrophenol O=[N+]([O-])c1ccccc1O Tox21_302758 -NCGC00357023-01 196703999 tox21-ror-cho-viability-p1 set1 4 0.0032629448 -5.9678649319 2.5 -3.4678649319 1.752947691 0.368151118 0.3049787017 1.52583638 3.35147929 0.87955346 -1.10137096 0.45945797 -7.27692561 -3.17430591 -4.38925846 -0.5557188 -0.07710515 -0.29130403 -4.98837554 -3.69517043 -0.05599188 -9.55655411 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 16356-11-9 61832 251919817 Fns 1,3,5-Undecatriene C=CC=CC=CCCCCC Tox21_303704 -NCGC00357286-01 196703983 tox21-ror-cho-viability-p1 set1 -1.1 17.2289340586 -101.2778059482 -3.906543184 -105.1843491322 1.4787409999 0.9800530941 4.67E-8 -0.02295004 -3.59886673 -4.64801766 -2.09516272 -3.21928735 0.3182401 -6.60876587 0.11655739 -10.41002846 -9.03275561 -21.76169257 -24.12849258 -52.7892752 -90.73763097 -93.74719174 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3064-70-8 62478 251919706 Bis(trichloromethyl)sulfone ClC(Cl)(Cl)S(=O)(=O)C(Cl)(Cl)Cl Tox21_303827 -NCGC00260472-01 196703993 tox21-ror-cho-viability-p1 set1 -1.1 12.5203586452 -103.4104099258 1.0057250619 -102.4046848639 2.2526478767 0.959417501 0.000002653 -0.78545683 -4.66934553 0.5667883 1.03309082 -5.21868744 -0.46357826 6.27721627 0.6066848 0.43063633 0.58096118 0.93965576 -12.98003298 -91.72642984 -91.77887845 -94.29528993 1.206E-9 2.697E-9 6.0309999999E-9 1.349E-8 3.016E-8 6.743E-8 1.5079999999E-7 3.371E-7 7.539E-7 0.0000016859999999 0.000003769 0.000008429 0.00001885 0.00004214 0.000094239999999 541-59-3 10935 144210124 Ac Maleimide O=C1C=CC(=O)N1 Tox21_202926 -NCGC00260016-01 196703997 tox21-ror-cho-viability-p1 set1 4 -0.92983946 -1.23436323 -1.45718681 -1.34361251 0.65634081 4.77584977 -3.36149512 -1.39109453 -0.81969848 -9.73771434 -1.02658003 -2.55768486 -2.35606337 -1.11213679 -5.37857771 1.154E-9 2.5809999999E-9 5.772E-9 1.291E-8 2.886E-8 6.453E-8 1.443E-7 3.227E-7 7.215E-7 0.0000016129999999 0.000003607 0.000008066 0.000018039999999 0.000040329999999 0.00009018 26780-96-1 8981 144209665 Cc D 1,2-Dihydro-2,2,4-trimethylquinoline, polymer CC2=CC(C)(C)Nc1ccccc12 Tox21_202467 -NCGC00016241-10 196704390 tox21-ror-cho-viability-p1 set1 4 -3.76033394 0.89061896 -4.40501931 -3.2137981 -0.64043962 -0.25093283 0.71595561 -4.76875538 0.24109396 -0.71447796 1.39155282 -4.2411716 -3.40666348 -4.05628052 3.05165436 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54-31-9 3440 170464879 A Furosemide NS(=O)(=O)c2cc(c(NCc1ccco1)cc2Cl)C(=O)O Tox21_110322_1 -NCGC00013095-10 196704809 tox21-ror-cho-viability-p1 set1 4 -2.22928462 -0.17665212 -2.77380999 -2.48883844 2.34330917 -0.56453785 -0.24850346 1.89006197 -2.54084025 -1.34174467 -1.51654622 -0.00895981 -2.87043339 0.04184222 4.56524618 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 106-24-1 637566 170465692 F Geraniol C\C(C)=C\CCC(\C)=C\CO Tox21_110010_1 -NCGC00018123-07 196704828 tox21-ror-cho-viability-p1 set1 4 -2.82045509 0.64868332 -1.87817564 -1.38721004 -2.15026408 3.01895928 -2.18585478 1.19934523 -0.39576087 -2.22534046 -0.07822686 -0.66569337 -1.34683881 1.65831953 -1.43868529 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60-31-1 6060 170464783 Z Acetylcholine chloride [Cl-].C[N+](C)(C)CCOC(=O)C Tox21_113435_1 -NCGC00159417-06 196705227 tox21-ror-cho-viability-p1 set1 -2.1 49.6956931991 -102.4980471448 -0.86663595 -103.3646830948 2.1210667061 0.9949577816 0 -0.74918105 1.57190261 0.69233579 -2.21749386 -1.06258868 -1.95039238 -0.62832965 -1.01580009 -3.38521789 -2.95568636 -3.29714421 0.04869003 -12.24394951 -43.76790777 -82.09445689 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00262922-01 196705243 tox21-ror-cho-viability-p1 set1 4 0.9972686 0.5834363 -0.87452462 0.07250574 1.45811896 0.32793913 1.15935735 4.10666542 -0.43565742 0.37906313 0.1370142 2.43059367 1.39326771 -5.82664159 5.09395747 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84803-46-3 2727728 170466705 A A 4-(4-Chlorophenyl)piperidine-2,6-dione O=C1CC(CC(=O)N1)c2ccc(Cl)cc2 Tox21_113918 -NCGC00094810-04 196705245 tox21-ror-cho-viability-p1 set1 4 1.01837055 0.21599271 -3.20849149 0.13053231 0.37157438 4.16325475 -0.81802655 2.73670619 1.47479995 2.10354001 2.72554839 4.61110598 -3.11385683 1.43426849 0.87183778 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2610-86-8 23706212 170464790 A Warfarin sodium [K+].CC(=O)CC(C1=C([O-])c2ccccc2OC1=O)c3ccccc3 Tox21_111637_1 -NCGC00095264-04 196704838 tox21-ror-cho-viability-p1 set1 -2.4 11.8832183006 -24.436925336 0 -24.436925336 3.1319983358 0.9722128205 3.155E-7 -0.17924512 0.19141157 -0.83227951 -2.3261107 -0.55536359 -0.3003757 -1.23511387 0.68213972 -0.43821739 1.46541997 2.45131083 -2.2496182 -5.7073291 -22.28540987 -23.69743778 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 773-76-2 2722 170465084 A Chloroxine Oc1c(Cl)cc(Cl)c2cccnc12 Tox21_111494_1 -NCGC00015854-10 196704416 tox21-ror-cho-viability-p1 set1 4 0.88477109 -2.43079987 -1.43826564 -0.25018052 -0.27634071 0.06476465 -0.24970605 1.10278203 -2.43272624 2.2261744 -1.77864079 1.45152727 -1.98337633 1.30934521 -1.05281607 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-34-0 9279 170464881 C Propantheline bromide [Br-].CC(C)[N+](C)(CCOC(=O)C1c3ccccc3Oc2ccccc12)C(C)C Tox21_111265_1 -NCGC00016598-02 196725266 tox21-ror-cho-viability-p1 set3 4 -2.13384847 -4.18264702 -5.66021712 -5.48449767 4.45626862 -3.40627447 -1.53123679 -8.41414113 -7.18907024 1.00897045 -21.64035843 2.26087214 -2.01191921 1.6079395 2.29834923 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1986-47-6 2723716 170465361 A Tranylcypromine hydrochloride Cl.N[C@@H]2C[C@H]2c1ccccc1 Tox21_110514_1 -NCGC00166142-04 196725278 tox21-ror-cho-viability-p1 set3 4 -3.80924718 0 -3.91994539 -2.36699669 -3.35451094 -1.30654524 -6.46737098 -2.36318688 -3.71197946 -0.42453434 -3.82431299 -5.58712866 2.28042141 0.74172682 -6.82625279 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 537-12-2 10830 170465536 A Diperodon hydrochloride Cl.O=C(Nc1ccccc1)OCC(OC(=O)Nc2ccccc2)CN3CCCCC3 Tox21_110460_1 -NCGC00259856-01 196724868 tox21-ror-cho-viability-p1 set3 -1.1 1.5495950685 -67.7860402469 -0.899264425 -68.6853046719 1.21 0.9788444325 6.57E-8 -3.89401301 1.4939876 -1.62145894 -9.970787 3.82106585 -2.633978 -5.11587805 -4.04832741 -21.89354843 -38.97158566 -51.04959267 -57.65311553 -62.04896654 -64.91902671 -75.1715784 1.189E-9 2.6589999999E-9 5.945E-9 1.3289999999E-8 2.9719999999E-8 6.646E-8 1.486E-7 3.323E-7 7.4309999999E-7 0.000001662 0.0000037149999999 0.0000083079999999 0.000018579999999 0.00004154 0.000092879999999 7778-50-9 24502 144209505 Potassium dichromate [K+].[K+].[O-][Cr](=O)(=O)O[Cr]([O-])(=O)=O Tox21_202307 -NCGC00260675-01 196724870 tox21-ror-cho-viability-p1 set3 4 1.10871693 -3.15506513 -5.22115152 -1.45113817 -3.11800705 5.54143462 7.63534968 -3.3539153 -3.82956106 -2.22506799 -3.99653027 -5.68818674 -0.80566553 3.47624986 -0.07016096 5.881E-11 1.3149999999E-10 2.9399999999E-10 6.575E-10 1.4699999999E-9 3.288E-9 7.351E-9 1.644E-8 3.676E-8 8.219E-8 1.838E-7 4.1089999999E-7 9.189E-7 0.000002055 0.000004594 7787-59-9 6328152 144209977 Bismuth oxychloride Cl[Bi]=O Tox21_202779 -NCGC00094619-06 196725279 tox21-ror-cho-viability-p1 set3 4 0.2371013766 11.8908719201 0.6091280799 12.5 4.9549173134 0.6728173174 0.06175647 -2.8257266 0.87721841 -0.78629287 -1.28799225 2.84310612 7.04642958 0.22394806 1.07925393 13.01870496 12.28190024 14.32503449 18.45479622 14.06850439 2.10099054 5.05371514 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 982-57-0 656833 170465429 D Chloramphenicol sodium succinate [Na+].O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](COC(=O)CCC([O-])=O)NC(=O)C(Cl)Cl Tox21_113484_1 -NCGC00160508-03 196725281 tox21-ror-cho-viability-p1 set3 4 -1.90511375 -2.15957726 1.1358022 4.5702019 4.49084452 3.98708073 -13.46206025 -11.49041472 1.35414744 5.14519018 2.56716184 5.10237354 1.37582877 6.26419074 6.3620196 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 652-67-5 12597 170465187 F Isosorbide O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12 Tox21_111861_1 -NCGC00015429-14 196725289 tox21-ror-cho-viability-p1 set3 4 -0.92402557 -7.70681215 0.29105644 -0.99718136 -1.66611176 -2.01534872 -1.28278296 -2.10791554 -9.0844949 -10.65649838 -3.41438113 -2.91112439 1.08307756 -0.62101401 -1.79556331 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25451-15-4 3331 170465178 A Felbamate NC(=O)OCC(COC(N)=O)c1ccccc1 Tox21_110145_1 -NCGC00015542-07 196725685 tox21-ror-cho-viability-p1 set3 4 5.07582911 1.72563206 0.62010974 2.31578272 2.4370876 0.44578318 8.55263092 2.59192153 -3.91345033 2.38905006 5.58753595 2.37355653 2.61026322 0.53798224 -3.60963458 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50847-11-5 3671 170466049 A Ibudilast CC(C)C(=O)c1c2ccccn2nc1C(C)C Tox21_113503_1 -NCGC00159477-05 196725693 tox21-ror-cho-viability-p1 set3 4 10.5909294584 -14.3968758239 -1.5 -15.8968758239 4.5044702849 0.5173513784 0.163089097 -1.14320318 -4.39704882 -4.57906074 -4.77587981 4.23379592 1.7906007 2.30083078 -14.09625893 -1.80116429 5.80881502 -5.03085898 1.60709898 -6.86495811 -14.41643239 -16.99739652 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103-82-2 999 170465102 Fc Phenylacetic acid OC(=O)Cc1ccccc1 Tox21_113042_1 -NCGC00094521-05 196725694 tox21-ror-cho-viability-p1 set3 4 -12.31283888 0 -1.33057555 -0.60475259 -1.25323225 -3.15712842 -3.81218701 -5.69344212 -5.9766358 -5.94057934 -5.19130512 -0.20077441 -4.39602207 -1.11636543 -7.98963011 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00344518-01 196725699 tox21-ror-cho-viability-p1 set3 4 4.04761151 1.91843845 -1.11078195 -1.62140755 -13.44959275 3.78807743 -2.94621643 3.88673943 3.26230051 -1.2170745 -1.70429505 3.55618224 0.08893087 -1.61651594 -0.07864621 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 32462-30-9 36143 170466530 Z Oxfenicine N[C@@H](c1ccc(O)cc1)C(=O)O Tox21_112144_1 -NCGC00093985-11 196726115 tox21-ror-cho-viability-p1 set3 4 -6.21452122 -1.5826009 12.66477596 13.4204965 12.16590915 -0.23365842 -2.99594879 2.7751861 -3.07174811 -4.93023231 -0.26915217 2.04169967 1.8087215 1.67932409 7.2506335 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17560-51-9 4170 170464665 A Metolazone NS(=O)(=O)c1cc2C(=O)N(C(C)Nc2cc1Cl)c3ccccc3C Tox21_110186_1 -NCGC00090752-12 196726121 tox21-ror-cho-viability-p1 set3 -1.1 13.3331902297 -69.0647834999 -1.371107145 -70.4358906449 3.9294729863 0.9601636794 0.0000023934 -7.0559321 -5.61293125 -1.23611882 -1.19051532 -11.03418198 4.62532422 4.6562767 3.32983316 -1.65834738 1.11646868 -0.0721273 -3.51995292 -12.8164143 -67.93943813 -69.05479475 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 65646-68-6 5288209 170466359 A Fenretinide CC=2CCCC(C)(C)C=2/C=CC(\C)=C\C=C\C(\C)=C\C(=O)Nc1ccc(O)cc1 Tox21_111007_1 -NCGC00260212-01 196702941 tox21-ror-cho-viability-p1 set1 4 3.37396342 3.2714906 5.24995476 7.60281921 7.9237228 0.91631873 0.39758587 4.76664968 11.09353223 0.78650548 7.06933629 0.62713387 4.8550599 5.77400757 8.80560199 1.193E-9 2.667E-9 5.964E-9 1.3339999999E-8 2.982E-8 6.668E-8 1.491E-7 3.3339999999E-7 7.455E-7 0.0000016669999999 0.0000037269999999 0.000008335 0.00001864 0.00004167 0.00009318 94280-72-5 19838382 144209862 A A 1-Butyl-1-methylpiperidinium bromide [Br-].C[N+]1(CCCC)CCCCC1 Tox21_202664 -NCGC00260552-01 196702947 tox21-ror-cho-viability-p1 set1 4 -2.46537676 0.60877311 1.55353834 -0.41539924 -0.94041774 -2.99628553 -4.8726597 -2.80293381 -6.38110575 -9.38520545 0.03215163 -2.56186687 -2.57596934 -0.71688574 -2.22233975 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49448 144210205 M M NTP Mix60 CT1 62-EQP Tox21_203007 -NCGC00357059-01 196702935 tox21-ror-cho-viability-p1 set1 4 -1.304488 -2.34787945 -8.09657476 -2.31745191 -9.59220182 -5.65062653 -13.37801701 -11.48881321 -4.40198712 0.2480095 -12.34261291 1.07409852 -0.70517593 -5.56613099 -2.82604766 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1885-14-9 15891 251919790 F Phenyl carbonochloridate O=C(Cl)Oc1ccccc1 Tox21_303763 -NCGC00258575-01 196702943 tox21-ror-cho-viability-p1 set1 -1.1 8.6173622229 -84.2511933514 -9.004645161 -93.2558385124 3.1319983358 0.9918528607 2E-10 -3.8664308 -8.36531207 -7.36352577 -11.35880794 -5.49287983 -8.17179103 -12.35683374 -11.2482457 -13.70348793 -8.00233796 -12.41104537 -50.06495528 -90.59437808 -88.77577567 -92.51571281 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.000003681 0.00000823 0.000018399999999 0.00004115 0.00009201 96-69-5 7308 144208220 A A 4,4'-Thiobis(6-tert-butyl-m-cresol) CC(C)(C)c2cc(Sc1cc(c(O)cc1C)C(C)(C)C)c(C)cc2O Tox21_201022 -NCGC00244580-01 196702952 tox21-ror-cho-viability-p1 set1 -2.4 27.3060203028 -27.8621190599 2.5 -25.3621190599 1.287561 0.9039452968 0.0002640279 0.09391649 6.38030714 1.25689906 0.92893123 0.96238694 0.51929676 6.37436139 2.19466707 5.05258449 2.13392078 -0.40351428 -3.47140559 -8.72294544 -11.27191382 -24.46843255 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00260128-01 196703358 tox21-ror-cho-viability-p1 set1 4 -4.37273591 4.42935833 -1.40418683 0.69491026 0.79340088 -8.78918174 -4.51638589 -2.51035689 2.55057603 -7.03276839 0.92242329 0.02929462 -3.23094852 -5.5252358 5.07083324 1.272E-9 2.844E-9 6.359E-9 1.422E-8 3.18E-8 7.11E-8 1.59E-7 3.555E-7 7.949E-7 0.0000017769999999 0.000003975 0.000008887 0.00001987 0.000044439999999 0.00009936 109-53-5 7992 144209777 Fns Vinyl isobutyl ether CC(C)COC=C Tox21_202579 -NCGC00163906-02 196703361 tox21-ror-cho-viability-p1 set1 4 43.2771256911 13.3479932239 -3.8479932239 9.5 3.1319983358 0.6229662656 0.0816562577 -2.72012596 -1.69606015 -7.36263344 -8.20666102 -2.733555 -5.73589597 0.40568252 -1.0969775 -6.09021813 0.32071174 -2.53227964 -5.78981137 -5.05996371 2.51050465 8.63082162 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00260278-01 196703769 tox21-ror-cho-viability-p1 set1 4 5.2756616115 11.7219399361 0.2780600639 12 0.6 0.3260128274 0.346630488 0.17660744 -1.50574223 -0.39493812 2.01439199 1.37934535 2.50896002 -3.51828328 2.63764148 -0.86766763 1.16363412 7.52682864 1.23864306 0.94159096 1.90117637 8.35255772 5.869E-11 1.312E-10 2.9349999999E-10 6.562E-10 1.467E-9 3.2809999999E-9 7.3359999999E-9 1.64E-8 3.6679999999E-8 8.2019999999E-8 1.834E-7 4.101E-7 9.171E-7 0.000002051 0.000004585 10039-54-0 24846 144209928 Hydroxylamine sulfate (2:1) [NH3+]O.[NH3+]O.[O-]S([O-])(=O)=O Tox21_202730 -NCGC00164077-02 196703776 tox21-ror-cho-viability-p1 set1 4 0.00527368 0.48015824 0.79879917 -0.10089321 0.7766735 1.15585685 -0.88060879 6.00822954 -0.42281096 4.54169398 -4.29036799 0.6582245 0.09294075 4.29870526 -4.93803244 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00357058-01 196703778 tox21-ror-cho-viability-p1 set1 4 1.42500417 -4.76426868 -0.5781725 -6.57792988 -8.97458502 -3.76409673 0.07874333 -0.94124511 -10.02806377 0.99009406 -6.79920417 -0.74529172 -6.94878535 -13.49076676 -0.30994507 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-41-2 6885 251919962 A Phthalide O=C1OCc2ccccc12 Tox21_303762 -NCGC00357268-01 196703782 tox21-ror-cho-viability-p1 set1 4 7.304823503 9.4866326479 -0.4866326479 9 1.826479391 0.3197339348 0.3502321053 3.9095941 -3.32849078 -2.29385041 -0.08798489 -3.73886054 0.35667662 5.84776805 1.92604142 -2.37629699 -3.5183118 -1.76536143 4.59641614 -2.90131237 10.22120735 5.39109186 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 3634-83-1 19262 251919746 F 1,3-Bis(isocyanatomethyl)benzene O=C=N\Cc1cccc(C/N=C=O)c1 Tox21_303869 -NCGC00015529-15 196704188 tox21-ror-cho-viability-p1 set1 4 -0.54097586 1.23393177 3.5137292 -0.39449745 1.65117443 2.23044369 1.11042987 0.33251712 2.40437441 0.20086164 1.89760322 2.12848081 1.29108616 1.60837044 5.06259786 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15687-27-1 3672 170464979 Ac Ibuprofen lysine CC(C(=O)O)c1ccc(CC(C)C)cc1 Tox21_110170_1 -NCGC00255176-01 196701126 tox21-ror-cho-viability-p1 set1 4 6.8589621897 -7.9702477919 -1.5 -9.4702477919 4.9549173134 0.5229762168 0.1589648901 -0.17632719 3.45716333 0.0542295 -3.5128101 -9.0332179 -6.99004543 0.76119959 -0.70474073 -1.37304591 -2.41225075 2.00795896 -8.36787506 -8.83627502 -8.56412652 -10.39187316 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 341-69-5 9568 144212244 A A Orphenadrine hydrochloride Cl.CN(C)CCOC(c1ccccc1)c2ccccc2C Tox21_301927 -NCGC00255755-01 196700709 tox21-ror-cho-viability-p1 set1 4 61.130564862 -30.992634044 -0.5 -31.492634044 1.0999999999 0.5931596301 0.1018337365 0.11875816 3.82302304 3.67429588 3.14743237 4.51813259 -12.22112655 -2.25636908 -0.29952423 -3.37862407 -0.21203661 -5.18274891 -0.00045858 -12.10770862 -6.3013639 -22.91052837 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66063-05-6 91692 144211572 A A Pencycuron Clc1ccc(cc1)CN(C(=O)Nc2ccccc2)C3CCCC3 Tox21_301255 -NCGC00095042-06 196700716 tox21-ror-cho-viability-p1 set1 4 1.08469317 1.38160871 4.18436547 -0.31047525 2.83862263 4.15508265 3.262234 -0.61329256 3.2759254 2.8420147 -0.0922742 2.01650932 4.6953392 4.52784124 6.81576746 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00255990-01 196700723 tox21-ror-cho-viability-p1 set1 4 38.5707788719 10.93123632 -1.93123632 9 0.4 0.3594242638 0.3132676032 -2.52497761 1.70451467 -6.6093636 -1.69213628 -1.77988804 2.00718319 0.14612137 -2.7623127 0.18832708 5.79507885 -1.40222596 0.75565771 -1.53275851 5.93116274 5.97300036 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1126-78-9 14310 144212385 A F N-Butylaniline CCCCNc1ccccc1 Tox21_302068 -NCGC00255941-01 196701127 tox21-ror-cho-viability-p1 set1 4 -1.76281227 0.1991578 2.54214574 -0.39470351 0.86948587 1.47915931 0.39438169 3.54638361 1.47322025 -0.83188949 4.19338133 4.02336177 2.1724422 -1.01071679 0.88080107 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1205-17-0 64805 144211959 A A alpha-Methyl-3,4-methylene-dioxyhydrocinnamic aldehyde O=CC(C)Cc1ccc2OCOc2c1 Tox21_301642 -NCGC00256164-01 196701130 tox21-ror-cho-viability-p1 set1 4 1.66052426 0.41005525 1.31377232 -0.50572616 0.19045632 -0.85199673 0.40339964 0.20563733 -0.80034199 4.68441145 0.5137323 0.80796765 -1.50633703 1.3178281 -0.75035398 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27253-29-8 60196430 144212711 Fns Zinc neodecanoate [Zn+2].[O-]C(=O)C(C)(CC)CCC(C)C.CC(C)CCC(C)(CC)C([O-])=O Tox21_302394 -NCGC00255818-01 196701135 tox21-ror-cho-viability-p1 set1 4 -1.51619638 -1.17010262 -0.14076759 3.5124476 6.98700887 -9.74418129 -0.82148422 -0.59226327 -0.45466696 3.80971706 -1.18678306 5.2949222 4.32301869 0.9512307 -1.95821007 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1118-12-3 14233 144212398 A A (1,1-Dimethylethyl)urea CC(C)(C)NC(N)=O Tox21_302081 -NCGC00258768-01 196701531 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -20.9617812399 0.5 -20.4617812399 4.9549173134 0.6865504703 0.0446441561 -0.1776423 1.77439252 0.4717456 -3.10460726 -4.18140756 0.13566383 0.85967684 2.74955343 2.27479578 -3.97615644 2.67520079 0.10658868 5.96166944 1.80606944 -15.3848177 1.18E-9 2.6389999999E-9 5.9009999999E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.000001649 0.000003688 0.0000082469999999 0.00001844 0.00004124 0.000092209999999 26544-38-7 22833321 144208414 A A Dihydro-3-(tetrapropenyl)- 2,5-furandione O=C1CC(C(/C)=C/C(C)CC(C)CC(C)C)C(=O)O1 Tox21_201216 -NCGC00258272-01 196701537 tox21-ror-cho-viability-p1 set1 4 0.5670636342 -5.7737704759 2 -3.7737704759 4.9549173134 0.3984201306 0.2911012896 -0.23643586 -0.44151826 1.852659 -1.76261277 5.74967021 4.95515154 4.94102862 2.0908906 -3.05693546 -9.39480873 -0.96811862 -0.00793033 -8.66648191 1.41148136 1.30694048 1.22E-9 2.729E-9 6.1009999999E-9 1.3639999999E-8 3.051E-8 6.821E-8 1.525E-7 3.411E-7 7.627E-7 0.000001705 0.000003813 0.0000085269999999 0.00001907 0.00004263 0.00009533 171058-17-6 2734163 144207916 A A 1-Hexyl-3-methylimidazolium chloride [Cl-].C[n+]1ccn(CCCCCC)c1 Tox21_200718 -NCGC00257956-01 196701542 tox21-ror-cho-viability-p1 set1 4 -15.40875539 -4.60158839 -3.62629147 0.16982783 -11.34758778 -5.26227696 -1.78571869 4.67603983 -4.63431667 0.13720062 -6.90782595 -11.67096502 -11.61994497 -7.28571421 -19.84243758 1.218E-9 2.7239999999E-9 6.0899999999E-9 1.3619999999E-8 3.045E-8 6.809E-8 1.5229999999E-7 3.405E-7 7.6129999999E-7 0.000001702 0.000003806 0.0000085109999999 0.00001903 0.00004256 0.000095159999999 106-44-5 2879 144207600 A A p-Cresol Cc1ccc(O)cc1 Tox21_200402 -NCGC00257957-01 196701549 tox21-ror-cho-viability-p1 set1 4 -13.50858376 -13.63346547 -9.0920155 -1.31545062 -18.63073486 -7.58039226 -10.34682741 -11.11504232 -2.49923256 -2.54477816 -17.73575679 -12.29957407 -16.28478682 -17.87781876 -28.43443708 1.188E-9 2.657E-9 5.942E-9 1.3289999999E-8 2.971E-8 6.6429999999E-8 1.4849999999E-7 3.321E-7 7.427E-7 0.0000016609999999 0.000003714 0.000008304 0.00001857 0.00004152 0.00009284 148-18-5 533728 144207601 BC F Sodium diethyldithiocarbamate [Na+].CCN(CC)C([S-])=S Tox21_200403 -NCGC00258504-01 196701947 tox21-ror-cho-viability-p1 set1 4 -11.78653264 -3.48712784 -11.05066629 -12.05017782 -11.67644873 -11.02017884 -12.37737458 -14.41170201 -6.32085678 -13.66459302 -11.49177161 -8.97276412 -11.84197774 -9.67215683 -5.97491165 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.679E-8 1.493E-7 3.3389999999E-7 7.467E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004174 0.00009334 1119-62-6 95116 144208149 A A 3,3'-Dithiodipropionic acid OC(=O)CCSSCCC(=O)O Tox21_200951 -NCGC00255120-01 196710957 tox21-ror-cho-viability-p1 set2 4 19.3311819617 12.3443143 -0.3443143 12 4.9549173134 0.728241695 0.0268519234 -6.95359525 0.50615947 -0.17662316 -1.92806601 0.39854044 -0.72573681 -1.09020061 3.5467882 0.90444563 3.25839597 0.83238038 -0.28083941 5.013629 14.31359924 9.15860594 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 73-24-5 190 144212425 F Ac Adenine Nc1ncnc2ncnc12 Tox21_302108 -NCGC00255294-01 196710127 tox21-ror-cho-viability-p1 set2 -1.1 30.6378586933 -78.7966747066 0.889308121 -77.9073665856 4.0949729863 0.9942502709 0 4.95341193 0.34032014 -0.99018098 0.80899817 1.54736782 2.14659823 2.87667222 0.16051812 -0.28400202 -0.74821211 0.33229556 -0.09860782 -8.64731136 -58.48677362 -81.15350686 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2062-78-4 16362 144211903 A A Pimozide Fc1ccc(cc1)C(CCCN2CCC(CC2)N3c4ccccc4NC3=O)c5ccc(F)cc5 Tox21_301586 -NCGC00094532-06 196710133 tox21-ror-cho-viability-p1 set2 4 -3.74754671 2.04759617 2.19256261 0.58116003 -0.07752932 4.17513727 2.96548746 2.88971875 3.0134184 3.145109 0.79319857 1.07009421 -0.01045787 0.6359225 -5.28169701 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00255477-01 196710546 tox21-ror-cho-viability-p1 set2 4 -6.2686836 0.61133605 -3.63923414 -6.45348413 -5.83103914 -8.78159752 -0.75870249 -5.69437414 -3.24969548 -6.47157277 -0.59876765 -3.60976143 -3.26945211 0.4528581 -1.68595001 1.121E-9 2.506E-9 5.6039999999E-9 1.2529999999E-8 2.802E-8 6.265E-8 1.401E-7 3.133E-7 7.005E-7 0.000001566 0.0000035019999999 0.000007831 0.00001751 0.00003916 0.00008756 15165-79-4 23700091 144211663 A A Potassium 1-naphthaleneacetate [K+].[O-]C(=O)Cc2cccc1ccccc12 Tox21_301346 -NCGC00259866-01 196711369 tox21-ror-cho-viability-p1 set2 4 77.8989325373 22.7285930719 -0.7285930719 22 0.4 0.4582055492 0.2169605552 -1.80694384 0.69599475 3.35838215 -1.95552779 -2.27382756 0.01365405 4.24420036 -0.23573716 -0.0264376 2.59731728 5.0123696 14.01444241 4.25359157 0.14453731 17.16350504 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-80-9 289 144209515 A A Catechol Oc1ccccc1O Tox21_202317 -NCGC00259806-01 196711381 tox21-ror-cho-viability-p1 set2 -2.4 48.4589889209 -39.07030274 0 -39.07030274 1.5094870999 0.9048579203 0.0002514404 2.01059896 2.16367799 0.31792302 -0.96418606 -0.15751396 1.03156211 -6.4142061 0.40083831 -1.41783327 2.02984815 1.44569728 -1.4017818 -11.44759528 -13.19536386 -29.64191895 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018399999999 0.00004115 0.000092019999999 33229-34-4 36383 144209455 A A HC Blue 2 OCCN(CCO)c1ccc(NCCO)c(c1)[N+]([O-])=O Tox21_202257 -NCGC00260218-01 196711780 tox21-ror-cho-viability-p1 set2 2.4 61.0062525823 28.642417428 -1.642417428 27 4.5044702849 0.9102717839 0.0001875054 0.14898411 -0.03889495 -2.04075897 -5.11868119 -2.16856207 -4.83341618 -1.45204876 -1.85867172 -2.02597242 2.23683874 1.66863373 -1.34419273 -2.07526505 2.40186808 22.99410356 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.365E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.00004117 0.00009206 NOCAS_49386 60196386 144209868 A Fc 1-Methyl-1-propylpiperidinium hexafluorophosphate CCC[N+]1(C)CCCCC1.F[P-](F)(F)(F)(F)F Tox21_202670 -NCGC00259754-01 196711790 tox21-ror-cho-viability-p1 set2 4 -5.43466159 -4.47796165 -13.63219663 -61.41270764 -3.53398174 0 0 -1.58845686 0 0 0 0 0 -11.81051369 -12.48319293 1.148E-9 2.567E-9 5.7409999999E-9 1.284E-8 2.87E-8 6.418E-8 1.4349999999E-7 3.209E-7 7.176E-7 0.0000016049999999 0.0000035879999999 0.000008023 0.00001794 0.00004011 0.0000897 15972-60-8 2078 144209403 A B Alachlor ClCC(=O)N(COC)c1c(cccc1CC)CC Tox21_202205 -NCGC00260075-01 196711800 tox21-ror-cho-viability-p1 set2 4 -6.17672905 -4.34987693 -14.30484197 -6.07031218 -2.94946865 -4.95712005 -6.06085111 -8.35775981 0 -46.53120995 -7.79105952 0 -10.75120886 -8.72480967 -22.03198403 1.165E-9 2.605E-9 5.8259999999E-9 1.303E-8 2.9129999999E-8 6.514E-8 1.457E-7 3.2569999999E-7 7.2829999999E-7 0.000001628 0.000003641 0.000008142 0.00001821 0.00004071 0.00009103 75-09-2 6344 144209724 FNS Dichloromethane ClCCl Tox21_202526 -NCGC00260136-01 196712197 tox21-ror-cho-viability-p1 set2 4 -1.54872783 0.3893376 0.04031059 -1.80465837 -1.42105646 -1.98575256 -1.0534969 -0.7069024 1.10085372 -0.0944712 -1.30699689 -0.03526868 1.13973609 -1.31404095 4.53175184 1.162E-9 2.599E-9 5.812E-9 1.2999999999E-8 2.9059999999E-8 6.4979999999E-8 1.453E-7 3.249E-7 7.265E-7 0.000001624 0.000003632 0.000008122 0.00001816 0.00004061 0.000090809999999 142-59-6 3032297 144209786 Bc Nabam-sodium [Na+].[Na+].[S-]C(=S)NCCNC(=S)[S-] Tox21_202588 -NCGC00166288-02 196713056 tox21-ror-cho-viability-p1 set2 -3 16.3534627896 -33.167393268 -0.5 -33.667393268 4.9549173134 0.9514067035 0.0000072232 -1.17364568 1.68362597 -1.23469099 -0.94013001 0.15855146 0.78096594 0.55528525 -0.88355702 -1.83370122 -0.0857797 -2.01756719 -4.53783444 0.61258881 -1.35063114 -31.38949439 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 905-97-5 13486 170466500 A 3,3'-Diethylthiacarbocyanine iodide [I-].CCN3c4ccccc4SC3=CC=Cc2sc1ccccc1[n+]2CC Tox21_112392_1 -NCGC00091650-03 196712651 tox21-ror-cho-viability-p1 set2 4 -2.19311975 -5.74304503 -5.32314791 -5.76589845 -4.42902173 -9.84143044 2.9532659 -4.79082399 -4.54005874 -4.52008083 -4.63367769 -6.76821054 -4.86112624 2.31547122 -11.09235176 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00256452-01 196727355 tox21-ror-cho-viability-p1 set3 -2.4 48.5577336745 -33.387752524 1 -32.387752524 3.1319983358 0.9840668267 1.28E-8 0.52757721 0.87028764 -1.02852273 0.82203811 0.96324758 2.26582355 1.78376582 0.83484445 2.01865618 1.84081239 2.77042338 0.27362141 0.82803987 -12.59247016 -28.23979377 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 53-19-0 4211 144213121 A A o,p'-DDD Clc2ccccc2C(C(Cl)Cl)c1ccc(Cl)cc1 Tox21_302804 -NCGC00257067-01 196726539 tox21-ror-cho-viability-p1 set3 4 -0.74768016 -0.2253217 -0.60328019 0.24500813 0.74840084 -0.88763287 3.10134626 1.73270844 3.24658648 0.12356005 0.03780441 0.43265148 1.79117048 1.96793269 3.56355359 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 929-06-6 13578 144213480 Ac Ac 2-(2-Aminoethoxy)ethanol NCCOCCO Tox21_303163 -NCGC00256982-01 196726940 tox21-ror-cho-viability-p1 set3 4 -2.29385375 -1.74823594 -0.90183264 2.14452682 -2.07738648 -1.88850858 -1.91395143 0 -9.41878199 0 -0.56369034 2.0372299 -3.53857241 -3.36981868 -0.74395268 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 97-86-9 7352 144213644 Fns Isobutyl methacrylate CC(=C)C(=O)OCC(C)C Tox21_303327 -NCGC00257415-01 196727354 tox21-ror-cho-viability-p1 set3 4 30.6378586933 -12.159870712 5 -7.159870712 0.7999999999 0.4765293338 0.2009577688 0.18843489 7.96178209 7.44148377 4.35646317 3.02694087 6.2293885 4.61137454 7.1473693 0.84693457 4.3381961 5.05579002 -2.94679948 5.61834013 -3.69432093 -4.29989226 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 51580-86-0 23667638 144213737 F F Sodium dichloro-s-triazinetrione dihydrate [Na+].O.O.ClN1C([O-])=NC(=O)N(Cl)C1=O Tox21_303426 -NCGC00090789-02 196727364 tox21-ror-cho-viability-p1 set3 4 6.56636894 2.04987736 1.3131965 -0.42663584 0.52961572 2.87170599 -6.16384335 -5.24991926 -4.95578978 -1.33053139 -6.47559218 2.41291889 6.09123022 -2.55094657 2.8546253 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00257267-01 196727366 tox21-ror-cho-viability-p1 set3 4 -2.53946697 -0.32905967 -1.25295651 -1.76560654 1.88026163 0.86055203 -1.27760747 -24.60037374 -11.71531455 0 -3.13716861 1.90345686 -1.55355069 0.28267231 -0.22410056 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_48518 16036578 144213891 A A PharmaGSID_48518 O=S(=O)(/C=C/c1cccs1)NC(=O)c2ccc(F)cc2Br Tox21_303586 -NCGC00257257-01 196727375 tox21-ror-cho-viability-p1 set3 -2.2 27.3060203028 -41.2271590109 -4.401872403 -45.6290314139 1.78848746 0.7434001062 0.0214643337 -1.41738864 -3.87313228 -2.72748636 -1.94960401 1.36167893 -9.60819394 -26.48960949 -5.9558487 0 0 0 -8.76901188 -19.91586756 -30.40624977 -42.6570451 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 686756-87-6 10345790 144213718 A A PharmaGSID_48519 Brc1ccccc1N2Cc3cnc(nc3N(C)C2=O)Nc4ccc5OC(COc5c4)CO Tox21_303407 -NCGC00255634-01 196727769 tox21-ror-cho-viability-p1 set3 4 -5.76215334 0 -0.26641098 0 -2.73179227 -1.14382176 -0.75200146 0 -0.33716211 0 -14.5665084 -1.27860046 -3.92233467 0.59347346 3.80458351 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5349-51-9 79302 144211952 D A 4-(2-Methylbutan-2-yl)cyclohexanol OC1CCC(CC1)C(C)(C)CC Tox21_301635 -NCGC00256944-01 196727772 tox21-ror-cho-viability-p1 set3 4 -0.88672028 -2.17188053 -3.30935194 -0.37708305 -0.48933809 1.1514458 0.33058703 -2.70172219 2.43370371 -1.72392321 -3.59318144 -0.15938706 -0.5335664 1.65731594 0.47077501 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-23-1 8840 144213584 A A Methyl 12-hydroxyoctadecanoate O=C(CCCCCCCCCCC(O)CCCCCC)OC Tox21_303267 -NCGC00257016-01 196727773 tox21-ror-cho-viability-p1 set3 4 -1.37647079 0 0.38223504 1.22922295 -0.8578877 5.17762862 4.21311956 -3.8801208 -11.02403844 0 0 0.1753761 5.20186183 0.41452544 8.82880829 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 75-86-5 6406 144213573 D 2-Hydroxy-2-methylpropanenitrile N#CC(C)(C)O Tox21_303256 -NCGC00090952-07 196727429 tox21-ror-cho-viability-p1 set3 4 4.9398411149 4.9432945999 -0.4432945999 4.5 4.9549173134 0.5948229646 0.102914812 0.57545142 -0.91936508 -0.80088273 -0.5315706 -0.71905482 1.03243858 -4.9527455 -1.31856291 1.60499227 0.48359429 -0.57375007 6.58718418 1.83765944 5.19453355 3.51517298 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00257418-01 196727032 tox21-ror-cho-viability-p1 set3 4 1.36597019 -0.05072767 0.30419628 -0.87352566 -0.98140034 0.69455968 1.19708876 -1.19569909 2.21483009 2.26774806 0.7379778 -0.66256504 -0.06835716 -1.56564009 0.75222617 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-31-9 7985 144213775 A Ac Dihexyl nonanedioate O=C(CCCCCCCC(=O)OCCCCCC)OCCCCCC Tox21_303465 -NCGC00256679-01 196727034 tox21-ror-cho-viability-p1 set3 4 1.53534845 -3.38270663 -5.05349779 2.09982923 -3.01204883 -2.32923055 -3.60550046 0 -5.78047145 -6.25258835 -1.24303386 -2.70780272 -12.2769643 -3.01263093 -1.35346376 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3008-43-3 3321360 144213939 A F 3-Methylcyclohexane-1,2-dione O=C1C(=O)CCCC1C Tox21_303634 -NCGC00262961-01 196705035 tox21-ror-cho-viability-p1 set1 4 -0.13033317 3.48153697 -2.94983407 -3.64784152 -4.25869121 0.09838001 0.06742722 -0.50341439 0.71962415 -3.96036108 0.10637843 0.6593491 -2.77656597 0.66599269 1.15729353 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 110816-79-0 196639 170465975 A I Cromoglicate lisetil O=C(OCC)C=4Oc3cccc(OCC(OC(=O)[C@@H](N)CCCCN)COc1cccc2OC(=CC(=O)c12)C(=O)OCC)c3C(=O)C=4 Tox21_113952 -NCGC00024667-14 196705023 tox21-ror-cho-viability-p1 set1 4 0.43602243 2.79277928 0.29586327 -0.93348767 4.39417277 2.76231143 -0.72017105 -6.78131629 -1.79533455 -0.55559485 -0.8481161 -19.83506866 -0.80465584 2.68342923 4.0656519 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 41372-08-1 38852 170464643 A Methyldopa O.O.O.Oc1ccc(C[C@](C)(N)C(=O)O)cc1O.O=C(O)[C@@](C)(N)Cc1cc(O)c(O)cc1 Tox21_110917_1 -NCGC00253689-01 196705027 tox21-ror-cho-viability-p1 set1 4 1.15692353 1.54209043 -0.73972652 0.13023854 -0.93490836 2.13771151 -0.90601332 1.72977682 0.84686535 -0.52552328 0.78156103 1.68065936 5.89393938 1.12505131 0.84092645 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66532-85-2 68865 170466215 A F Propacetamol O=C(Oc1ccc(cc1)NC(C)=O)CN(CC)CC Tox21_113811 -NCGC00016685-11 196705029 tox21-ror-cho-viability-p1 set1 4 -1.64116765 0.53710631 0.99252873 -1.95097137 -0.00114206 -6.19109317 1.14025619 -3.26254594 -2.45237183 -1.46096253 0.60927471 -0.02301529 -1.23935897 -2.09299302 1.64700483 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7681-76-7 5094 170466596 A Ronidazole Cn1c(cnc1COC(N)=O)[N+]([O-])=O Tox21_110560_1 -NCGC00015202-08 196705436 tox21-ror-cho-viability-p1 set1 4 5.05329888 2.08938149 1.59183137 -1.07733975 1.99639759 7.2359383 -0.57065825 3.76025235 6.28284278 1.41308549 0.96229199 1.42502604 1.63009101 0.62081242 -0.61392005 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52214-84-3 2763 170466356 A Ciprofibrate ClC2(Cl)CC2c1ccc(OC(C)(C)C(=O)O)cc1 Tox21_112121_1 -NCGC00094571-08 196705451 tox21-ror-cho-viability-p1 set1 4 -0.00291705 0.11903332 -1.12572492 -3.51414698 1.2440027 -2.0559653 0.26666402 -0.18305975 -1.01790338 0.30944836 -2.08491229 -2.09776836 1.60968554 0.397599 -2.85112032 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 483-63-6 2883 170464851 A Crotamiton CCN(C(=O)C=CC)c1ccccc1C Tox21_110446_1 -NCGC00259429-01 196705850 tox21-ror-cho-viability-p1 set1 4 0.2541467 -1.29780807 -12.10579629 -6.26869293 -1.79207087 -1.81459755 -0.40082693 -0.04096553 6.81166646 0 -2.13465703 -0.3603679 -5.53965728 2.725186 0.34662498 1.173E-9 2.6229999999E-9 5.865E-9 1.312E-8 2.933E-8 6.558E-8 1.466E-7 3.279E-7 7.3319999999E-7 0.0000016389999999 0.0000036659999999 0.000008197 0.00001833 0.00004098 0.00009165 81-07-2 5143 144209078 A A Saccharin O=C2NS(=O)(=O)c1ccccc12 Tox21_201880 -NCGC00016590-06 196704208 tox21-ror-cho-viability-p1 set1 4 -7.99733447 -5.1082362 -3.80274429 -2.34332042 -0.77641013 -0.79639657 -1.5886923 0.40107814 -0.88375268 -3.32221011 -0.68001296 -2.93931776 -2.77004233 0.13500706 -0.44573496 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1649-18-9 15443 170465697 A Azaperone Fc1ccc(cc1)C(=O)CCCN2CCN(CC2)c3ccccn3 Tox21_110512_1 -NCGC00260036-01 196703401 tox21-ror-cho-viability-p1 set1 4 -0.08858999 -1.57154611 2.46734602 -2.12775843 2.25513492 -4.27578932 5.91441109 0.10767034 3.40715447 -0.21906056 6.23327184 2.66047937 7.22802517 -0.37877097 0.60586141 1.164E-9 2.6039999999E-9 5.822E-9 1.302E-8 2.911E-8 6.509E-8 1.456E-7 3.255E-7 7.2779999999E-7 0.0000016269999999 0.000003639 0.000008137 0.00001819 0.00004068 0.000090969999999 71-43-2 241 144209685 Fns Benzene c1ccccc1 Tox21_202487 -NCGC00260291-01 196703805 tox21-ror-cho-viability-p1 set1 4 2.16986943 -1.06289392 -2.9431588 -0.16572339 -3.69618735 -4.79939263 -1.02538016 -1.38542754 -0.19695372 -1.10999996 -6.016627 -5.11422715 0.76858304 -10.2962567 0.26663036 5.816E-11 1.301E-10 2.908E-10 6.503E-10 1.454E-9 3.2509999999E-9 7.27E-9 1.6259999999E-8 3.635E-8 8.128E-8 1.8179999999E-7 4.064E-7 9.088E-7 0.0000020319999999 0.0000045439999999 142-73-4 8897 144209941 Fns Iminodiacetic acid O=C(O)CNCC(=O)O Tox21_202743 -NCGC00260444-01 196703814 tox21-ror-cho-viability-p1 set1 4 -0.05245507 0.3576523 -0.73052762 0.65553721 0.11941101 4.54268205 1.08490862 0.00063708 -4.1716575 4.50273806 0.02867862 -4.91153926 1.33527466 -0.72675237 6.17842936 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.613E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.00001848 0.00004133 0.00009242 463-04-7 10026 144210096 F Pentyl nitrite CCCCCON=O Tox21_202898 -NCGC00247692-01 196704213 tox21-ror-cho-viability-p1 set1 4 1.27245387 -1.34691733 -2.44686503 -1.55300272 -2.06855285 -5.13780242 -3.39378987 -1.94675357 -3.34431629 1.35333013 -3.38640311 0.4372407 -0.47158083 -3.70849274 -1.8800622 1.346E-9 3.01E-9 6.73E-9 1.505E-8 3.365E-8 7.5249999999E-8 1.683E-7 3.7619999999E-7 8.413E-7 0.0000018809999999 0.000004206 0.000009406 0.00002103 0.00004703 0.0001052 60676-84-8 118031 144206395 A A 1-(7-Methoxy-1,3-benzodioxol-5-yl)propan-2-amine hydrochloride Cl.CC(N)Cc1cc2OCOc2c(c1)OC Tox21_112842 -NCGC00018302-07 196704216 tox21-ror-cho-viability-p1 set1 4 3.12619344 7.71829515 0.67915997 0.47032058 0.0423908 7.69167589 -0.49321145 6.42731335 0.53972839 1.79418156 3.78158037 0.60743329 0.62890474 1.31020866 4.54979014 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 133-67-5 5560 170464812 A Trichlormethiazide NS(=O)(=O)c2cc1c(NC(NS1(=O)=O)C(Cl)Cl)cc2Cl Tox21_110421_1 -NCGC00090942-03 196704231 tox21-ror-cho-viability-p1 set1 -1.1 30.6378586933 -89.0615085832 -0.942890006 -90.0043985892 4.5044702849 0.9900603788 8E-10 0.94016511 1.1892936 0.08187116 1.14686474 -0.33524985 0.02207133 0.17965027 0.49450352 -0.5662557 -5.83110655 -0.23565168 -9.00761916 -10.5058513 -73.39012958 -88.23960646 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00255798-01 196700725 tox21-ror-cho-viability-p1 set1 4 0.01781866 -1.09394071 -2.36331811 -5.12678486 -5.92088891 -6.71630812 -6.67428751 -6.90400256 -0.33255538 -4.71986685 -14.43752977 -5.88299199 -0.58047903 -6.973098 -4.81927213 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1559-35-9 15260 144212188 A Ac 2-(2-Ethylhexyloxy)ethanol OCCOCC(CCCC)CC Tox21_301871 -NCGC00260172-01 196703217 tox21-ror-cho-viability-p1 set1 -2.4 5.4371879846 -21.0043570759 -2.5 -23.5043570759 1.0999999999 0.8380001933 0.0031957473 -4.79865125 -2.87589231 -1.90345353 0.38857155 -3.07943563 -3.56785754 -8.69176148 -1.45723381 0.85133273 -5.67426236 -11.22148767 -19.87676744 -19.81117913 -15.00422019 -24.58696423 1.1779999999E-9 2.634E-9 5.891E-9 1.3169999999E-8 2.945E-8 6.586E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.0000036819999999 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009204 362043-46-7 10044526 144209822 A A 1-Decyl-3-methylimidazolium hexafluorophosphate F[P-](F)(F)(F)(F)F.C[n+]1ccn(CCCCCCCCCC)c1 Tox21_202624 -NCGC00260403-01 196703219 tox21-ror-cho-viability-p1 set1 4 1.14706872 -4.14436097 0.2648318 -7.78203239 1.02854787 -8.49445461 -0.07671302 -0.23156726 -10.73163211 -4.88097625 -0.27838674 3.65381864 -9.13667132 -5.6396894 -0.72775909 1.195E-9 2.672E-9 5.975E-9 1.336E-8 2.988E-8 6.6809999999E-8 1.494E-7 3.34E-7 7.469E-7 0.0000016699999999 0.000003735 0.000008351 0.00001867 0.00004175 0.00009336 620-14-4 12100 144210055 F Fns 3-Ethyltoluene Cc1cccc(CC)c1 Tox21_202857 -NCGC00260490-01 196703614 tox21-ror-cho-viability-p1 set1 4 -0.0358899 2.75894786 -1.67881164 1.92309468 2.43356014 2.8850859 -1.77579941 0.82750877 2.77190823 -0.72042602 3.8148229 4.29417625 -0.05113716 3.27268139 0.94552668 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 75-55-8 6377 144210142 Fns Propyleneimine CC1CN1 Tox21_202944 -NCGC00164449-04 196700309 tox21-ror-cho-viability-p1 set1 4 2.83766984 0.3929215 -1.2528745 0.14047526 -1.93854691 0.53788453 0.67209222 -0.33529156 1.84132719 4.97068051 0.78077366 1.54618493 -2.8004873 2.35621462 -0.89967324 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00256073-01 196700323 tox21-ror-cho-viability-p1 set1 4 1.0870722482 -16.743900756 -2.5 -19.243900756 0.3 0.4072823771 0.2650979065 -10.01370705 -2.69125095 3.24266422 -12.29891855 -2.14768944 -10.02033159 -9.30617477 -12.34343869 -11.79948854 -6.27189783 -7.85827953 -18.91025377 -12.76854145 -18.95325063 -12.56568328 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5989-54-8 439250 144212612 F Fns (S)-Limonene CC1=CC[C@H](CC1)C(C)=C Tox21_302295 -NCGC00255431-01 196700324 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -21.63405406 -1 -22.63405406 4.9549173134 0.8104643671 0.0064080101 -2.04229487 -2.81826438 -0.9655001 -1.13375577 -1.26090607 0.26046713 -2.34206726 -3.14086679 -4.94325623 -0.60349793 3.08131004 2.12029509 -1.54663487 -1.4479136 -17.19504505 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21145-77-7 89440 144211573 A A 6-Acetyl-1,1,2,4,4,7-hexamethyltetralin CC(=O)c1cc2c(cc1C)C(C)(C)C(C)CC2(C)C Tox21_301256 -NCGC00094521-05 196700746 tox21-ror-cho-viability-p1 set1 4 -3.58335042 -1.77784698 0.28092654 -2.96747715 3.74529331 -1.04738604 0.98626347 -6.81136124 -12.80436433 1.64283239 1.08156965 1.5306848 -11.4803655 -2.55686718 -9.61868319 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00256113-01 196700747 tox21-ror-cho-viability-p1 set1 4 -3.62917377 -0.74350983 3.14143739 -0.03910503 5.47683097 4.85202465 3.06496031 5.60317096 2.16257369 4.6001025 4.4436514 -3.07195211 2.71285697 -6.27288575 -0.40720012 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 83016-70-0 3086157 144211828 A A 2-[{2-[2-(Dimethylamino)ethoxy]ethyl}(methyl)amino]ethanol CN(C)CCOCCN(C)CCO Tox21_301511 -NCGC00255330-01 196701152 tox21-ror-cho-viability-p1 set1 4 1.45246758 0.98895822 0.46808286 3.64250721 0.24592092 0.71242284 0.65502239 -0.05917494 0.91099333 3.59811277 -0.12580556 0.65896256 4.75635836 2.08489881 0.11045172 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2122-70-5 62428 144211786 A A Ethyl 1-naphthaleneacetate O=C(OCC)Cc2cccc1ccccc12 Tox21_301469 -NCGC00255109-01 196701159 tox21-ror-cho-viability-p1 set1 -1.1 19.3311819617 -87.7940814343 -5.7606679 -93.5547493343 4.9549173134 0.9896019053 1E-9 -4.09831857 -3.83433607 -8.40244697 -8.79285842 -10.14382447 -6.95179274 -6.44926813 0.15381511 -6.58668826 -6.13043172 -4.62833012 -8.82552298 -41.98421729 -97.45286389 -89.42201453 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 35691-65-7 61948 144212268 C A 1,2-Dibromo-2,4-dicyanobutane N#CCCC(Br)(CBr)C#N Tox21_301951 -NCGC00256269-01 196701160 tox21-ror-cho-viability-p1 set1 4 3.62880226 6.31177714 1.2643854 -0.52128448 2.63132155 -0.49100796 2.87235231 4.57907934 0.10635026 4.71189862 -8.07292215 -0.13944772 4.61438867 1.46651738 1.48271093 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66357-35-5 3001055 144212689 A A Ranitidine [O-][N+](=O)\C=C(/NC)NCCSCc1ccc(CN(C)C)o1 Tox21_302372 -NCGC00258366-01 196701561 tox21-ror-cho-viability-p1 set1 4 4.09588562 2.27129171 4.13560856 12.05238906 4.53447265 5.28201088 6.46906659 6.06764793 8.78014088 10.09887531 1.20444014 -0.34667779 9.26266107 4.80356948 7.9171934 1.197E-9 2.676E-9 5.983E-9 1.338E-8 2.992E-8 6.689E-8 1.496E-7 3.345E-7 7.479E-7 0.0000016719999999 0.00000374 0.0000083619999999 0.000018699999999 0.00004181 0.000093489999999 1002-69-3 13848 144208010 BC Fns 1-Chlorodecane CCCCCCCCCCCl Tox21_200812 -NCGC00163843-03 196715144 tox21-ror-cho-viability-p1 set2 4 0.12486501 0.41046873 -1.40416376 -2.26461984 -2.01040787 -2.05246548 -2.32484294 -5.13218877 -1.55766819 -5.05182024 -2.7105301 -0.87569455 -0.07542025 -2.71116147 -2.58807939 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00254103-01 196714715 tox21-ror-cho-viability-p1 set2 4 -0.05429057 3.92467699 -2.06450775 0.01749649 -1.27787328 2.64159502 0.34368803 2.97432497 -0.02141893 1.19669734 0.19426851 3.02122482 4.13076714 -0.1858031 3.97773251 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-54-7 7443 144210613 A Ac 3,4-Dichloronitrobenzene Clc1ccc(cc1Cl)[N+]([O-])=O Tox21_300293 -NCGC00254147-01 196714722 tox21-ror-cho-viability-p1 set2 4 1.36448745 1.46109385 4.8599155 2.06361834 1.30387927 0.31784221 1.43266616 1.9685037 3.00350954 1.57868539 -0.51033918 1.60854712 2.20143494 1.54133283 -0.73036155 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6846-50-0 23284 144210635 A Ac 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate O=C(OC(C(C)C)C(C)(C)COC(=O)C(C)C)C(C)C Tox21_300316 -NCGC00163724-03 196714735 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -10.069093352 1.5 -8.569093352 4.9549173134 0.5524914307 0.1361888719 0.39385062 1.00439327 0.45028682 0.27360353 -0.3447724 -0.45389696 2.82349518 0.89137607 0.9365044 0.87076724 0.03995439 5.74232853 5.46916209 0.70258261 -6.72424446 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00254301-01 196715149 tox21-ror-cho-viability-p1 set2 4 -1.29718348 -4.87523116 -2.51724108 -1.83763267 -1.86057142 -4.14199995 -10.86422903 -6.77101338 -9.70270266 -6.09954678 1.71235618 -5.10500532 -3.13939533 -0.6873836 0.06967263 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66456-53-9 53316391 144210648 F Adipic acid, polypropyleneglycol, laurate CC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCC(=O)O Tox21_300330 -NCGC00257855-01 196715555 tox21-ror-cho-viability-p1 set2 4 1.5636810811 11.478220816 -6.478220816 5 0.4 0.4408840216 0.2336723323 -1.13782925 -9.018392 -5.23934883 -13.73185068 -1.26698799 -0.6032678 -1.13133575 -1.28076087 -1.62070842 -4.55878199 -1.59753029 4.39330717 0.64148041 5.63763487 1.12578706 1.198E-9 2.679E-9 5.989E-9 1.339E-8 2.995E-8 6.696E-8 1.497E-7 3.3479999999E-7 7.487E-7 0.0000016739999999 0.0000037429999999 0.000008371 0.000018719999999 0.00004185 0.00009359 18640-74-9 62725 144207499 A A 2-(2-Methylpropyl)thiazole CC(C)Cc1nccs1 Tox21_200301 -NCGC00258559-01 196715570 tox21-ror-cho-viability-p1 set2 4 0.94698823 0.38139487 -2.55554751 -4.22264126 -3.09552482 2.95594517 -0.25749861 0.57738855 0.03576936 0.53080132 0.15327258 1.21752734 -4.13036462 1.81539542 0.13417567 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.613E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.00001848 0.00004133 0.00009242 7585-39-9 444041 144208204 A beta-Cyclodextrin OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O Tox21_201006 -NCGC00258530-01 196715970 tox21-ror-cho-viability-p1 set2 4 0.08747736 0.04120725 1.28965118 -2.46713843 -3.63425509 -4.1227122 0.80094645 -1.92106007 -0.63605931 -4.35572192 -1.48168837 -1.90086404 -1.1703363 -3.64846651 -7.59384609 1.166E-9 2.6069999999E-9 5.8279999999E-9 1.303E-8 2.9139999999E-8 6.516E-8 1.457E-7 3.2579999999E-7 7.286E-7 0.000001629 0.0000036429999999 0.0000081449999999 0.00001821 0.00004073 0.00009107 2524-04-1 17305 144208175 AC A O,O-Diethyl chlorothiophosphate ClP(=S)(OCC)OCC Tox21_200977 -NCGC00258298-01 196715971 tox21-ror-cho-viability-p1 set2 4 1.69557981 0.3703564 -0.33075616 0.48500615 -0.60548975 0.58245404 0.89763428 4.63495231 0.75578443 0.96558611 0.89097716 -0.58510784 0.81635222 0.15757649 1.05794794 1.163E-9 2.5999999999E-9 5.8139999999E-9 1.2999999999E-8 2.9069999999E-8 6.5E-8 1.453E-7 3.25E-7 7.267E-7 0.000001625 0.000003634 0.000008125 0.00001817 0.000040619999999 0.00009084 10595-95-6 25418 144207942 D N-Nitroso-N-methylethylamine CCN(C)N=O Tox21_200744 -NCGC00163735-04 196716378 tox21-ror-cho-viability-p1 set2 4 -0.88872691 -0.77540152 -2.19082144 -4.21226582 3.0542015 4.74121074 0.53443234 -0.84340587 2.40829989 -0.04140739 2.51966339 -0.69651738 0.14219093 -3.19253185 -4.77919379 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00092388-05 196712673 tox21-ror-cho-viability-p1 set2 4 0.1059092946 -9.8122950839 0.5 -9.3122950839 4.9549173134 0.6325769815 0.07494115 1.40737624 0.63019784 0.27188498 1.42673508 -0.69452421 -1.9939602 0.67969952 -11.98727163 -7.25412171 -12.48445 -2.67479121 -16.92691257 -12.38667404 -3.42485761 -6.91553803 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 546-06-5 441082 170466139 Ac Conessine CN(C)[C@@H]4CC5=CC[C@@H]1[C@H](CC[C@@]23CN(C)[C@@H](C)[C@H]3CC[C@@H]12)[C@@]5(C)CC4 Tox21_111531_1 -NCGC00260380-01 196711844 tox21-ror-cho-viability-p1 set2 4 0.1870561754 -4.30388422 -7.02464382 -8.07209239 -16.05770413 -3.38142198 -3.70279544 -9.91216474 -23.76629042 -13.54941245 0 -8.08972766 0 0 -41.3314102 -0.66232828 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 4292-19-7 20282 144210032 F Bc Dodecane,1-iodo- CCCCCCCCCCCCI Tox21_202834 -NCGC00255162-01 196729112 tox21-ror-cho-viability-p1 set3 4 3.0637858693 -7.5347356079 2 -5.5347356079 4.9549173134 0.3592502783 0.3113832225 0 0.44502916 -1.35816927 7.39488345 -3.92504038 -2.61194026 9.13348255 5.0399011 -2.59631163 7.72453744 -5.36631719 -8.77894634 0.76840475 -8.3478912 -4.13866608 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26896-20-8 62817 144212561 Z F Neodecanoic acid CC(C)CCC(C)(CC)C(=O)O Tox21_302244 -NCGC00255472-01 196729102 tox21-ror-cho-viability-p1 set3 -3 67.2664740676 -55.3381833942 1.426145541 -53.9120378532 4.9549173134 0.9048054717 0.0002515266 -2.3542662 3.14416343 0.73436339 7.37630819 -2.09160373 0.46613913 0.89891531 7.49928136 -0.4127537 5.84546378 -1.73721083 -5.2468505 3.64348959 0.97587632 -43.97780782 1.1609999999E-9 2.5959999999E-9 5.804E-9 1.298E-8 2.9019999999E-8 6.489E-8 1.451E-7 3.245E-7 7.255E-7 0.000001622 0.000003628 0.000008112 0.00001814 0.00004056 0.000090689999999 139-07-1 8753 144211686 A A Benzyldimethyldodecylammonium chloride [Cl-].C[N+](C)(Cc1ccccc1)CCCCCCCCCCCC Tox21_301369 -NCGC00255586-01 196729109 tox21-ror-cho-viability-p1 set3 4 3.08018503 -1.15818078 -4.25388805 10.09237454 10.08310407 -6.18420907 13.37879625 12.9373233 11.11658769 -6.33301887 -8.52785778 3.72124728 6.61383349 4.91128338 3.90017823 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-89-0 7165 144212338 A Ac Ethyl benzoate O=C(OCC)c1ccccc1 Tox21_302021 -NCGC00256272-01 196729111 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -109.0937716043 16.5683627604 -92.5254088439 4.9549173134 0.8825216294 0.0007104528 -4.67498734 22.15574868 17.84494794 17.96843443 11.4297888 17.98199315 13.34479677 14.98006505 27.49374238 8.1080967 12.44889287 25.79032885 23.58867937 18.50938538 -72.92057738 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66072-38-6 4320947 144211970 F F 2,2',2''-[Methanetriyltris(benzene-4,1-diyloxymethanediyl)]trioxirane c2cc(OCC1CO1)ccc2C(c4ccc(OCC3CO3)cc4)c6ccc(OCC5CO5)cc6 Tox21_301653 -NCGC00015675-08 196729116 tox21-ror-cho-viability-p1 set3 4 0.35372842 1.81092362 -0.98398623 -0.01902009 1.06083097 -0.76637674 1.12465896 1.26319374 2.52799903 0.22134525 0.82633115 1.94982744 -0.72585417 1.21505724 -0.98638127 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00258416-01 196729514 tox21-ror-cho-viability-p1 set3 4 -0.79538648 3.79137004 11.15006799 2.70294364 -0.70398436 0.7367784 0.1773293 0.38921017 2.19324092 -0.02117469 -1.34606336 -1.09927241 1.17804737 1.40598696 0.32098261 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.4729999999E-7 3.295E-7 7.367E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.000041179999999 0.00009209 144-02-5 23681217 144208060 A A Sodium barbital [Na+].CCC1(CC)C(=O)N=C([O-])NC1=O Tox21_200862 -NCGC00258703-01 196729512 tox21-ror-cho-viability-p1 set3 3 80.5728200641 80.251224202 -0.812446336 79.438777866 4.9549173134 0.7897345281 0.0097617788 1.74967216 0.58428868 0.83514066 -0.05228879 1.14602899 1.74798014 -1.17999977 -1.12851518 0.44580609 11.30492668 0.65115676 1.07956817 -8.19742769 -23.75770001 64.72626837 1.226E-9 2.742E-9 6.131E-9 1.371E-8 3.066E-8 6.855E-8 1.5329999999E-7 3.4269999999E-7 7.664E-7 0.0000017139999999 0.000003832 0.000008568 0.00001916 0.00004284 0.0000958 764-42-1 637930 144208349 FNS Fumaronitrile N#C\C=C\C#N Tox21_201151 -NCGC00258635-01 196729522 tox21-ror-cho-viability-p1 set3 4 4.77158043 -1.21906627 1.21482916 2.43420196 2.50118712 4.26951152 0.73046528 1.1420845 4.63337459 2.11161589 3.67428152 1.692474 -0.47626695 -1.94960573 -1.01953877 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.968E-8 6.6359999999E-8 1.484E-7 3.318E-7 7.4189999999E-7 0.000001659 0.000003709 0.000008295 0.00001855 0.000041469999999 0.00009274 223437-11-4 11048104 144208281 A 1-Butyl-1-methylpyrrolidinium bis(trifluoromethanesulfonyl)imide CCCC[N+]1(C)CCCC1.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F Tox21_201083 -NCGC00263656-01 196722932 tox21-ror-cho-viability-p1 set3 4 0.3349145963 -5.80826932 -0.5 -6.30826932 4.9549173134 0.3784355614 0.3102633878 2.97608193 -8.70203083 -1.2594967 -0.71593098 -0.18931984 0.12979738 2.37137672 0.14240538 -4.07713001 -5.02059901 -8.93414934 -9.0068911 0.35334042 -7.73523915 7.75020011 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 630-60-4 439501 170465763 A Ouabain O=C1C=C(CO1)[C@H]2CC[C@]3(O)[C@@H]4CC[C@]5(O)C[C@H](C[C@@H](O)[C@]5(CO)[C@H]4[C@H](O)C[C@]23C)O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O Tox21_112057_1 -NCGC00259741-01 196722122 tox21-ror-cho-viability-p1 set3 2.4 54.98170782 29.999161108 -10.999161108 19 2.9522712143 0.8354510824 0.0034310656 -13.49035523 -10.84797504 -10.64049558 -13.17950044 -14.20278641 -15.41596759 -11.94605482 -7.8047849 -7.37318441 -3.81134323 -10.52469507 -10.666925 -8.67663643 -2.69610205 14.03071265 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.000092909999999 19248-13-6 87984 144209390 A A N-Ethyl-N-(3-methylphenyl)ethane-1,2-diamine CCN(CCN)c1cc(C)ccc1 Tox21_202192 -NCGC00259064-01 196722124 tox21-ror-cho-viability-p1 set3 4 24.4107820745 6.423965784 -0.923965784 5.5 4.9549173134 0.3380402931 0.3331910574 -0.31441307 -2.2250546 1.77667017 6.46142004 -5.11273368 -5.26750761 -5.35330482 -2.02329566 0.89753503 2.27578394 0.26438997 -3.75274835 0.1872692 5.98728977 5.09967571 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 5419-55-6 21531 144208712 D Triisopropyl orthoborate CC(C)OB(OC(C)C)OC(C)C Tox21_201514 -NCGC00095239-05 196722522 tox21-ror-cho-viability-p1 set3 4 11.8832183006 38.2718575799 -4.2718575799 34 0.3 0.6476517553 0.0654041635 -0.65277494 -6.89321465 1.18446824 -1.51555869 8.0731089 -1.348433 -4.76816959 -1.05664157 12.43432999 11.9496336 10.81498592 8.89625628 10.92488667 9.38060318 27.44816412 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 621-23-8 69301 170465963 Ac 1,3,5-Trimethoxybenzene COc1cc(cc(OC)c1)OC Tox21_111489_1 -NCGC00259496-01 196705886 tox21-ror-cho-viability-p1 set1 4 0.0859103404 5.9355865759 -7.4355865759 -1.5 1.21 0.3931263463 0.280107839 -6.5756449 -2.36859092 -8.30366874 -14.52965548 -3.61428138 -1.12148236 -6.17144153 -3.76770428 -1.50411366 -0.74054399 2.11928877 -1.48504933 -3.41735759 -3.03406716 -0.66351768 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.346E-7 0.000001643 0.000003673 0.0000082129999999 0.000018359999999 0.00004106 0.000091819999999 82-68-8 6720 144209145 Pentachloronitrobenzene Clc1c(c(Cl)c(Cl)c(Cl)c1Cl)[N+]([O-])=O Tox21_201947 -NCGC00090787-08 196705481 tox21-ror-cho-viability-p1 set1 4 0.36836481 0.97269733 -0.54350312 0.64927602 -6.84042756 5.64263611 0.06351848 -0.55272165 2.37455029 2.57231587 -3.45845853 0.42954736 -0.29275992 5.16912525 5.7386673 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 119-61-9 3102 170465649 A Benzophenone O=C(c1ccccc1)c2ccccc2 Tox21_113465_1 -NCGC00259690-01 196705884 tox21-ror-cho-viability-p1 set1 4 0.0015558529 15.0555941519 -15.5555941519 -0.5 4.9549173134 0.4396690249 0.2516319586 -13.79632846 5.08061907 0.22117533 -3.77674026 -0.08896696 1.23751893 0.41719492 3.22256064 -4.90130532 -0.20706819 2.85304773 0.10824192 -9.76527371 -1.32019338 -4.82310433 1.193E-9 2.667E-9 5.964E-9 1.333E-8 2.982E-8 6.6669999999E-8 1.491E-7 3.3339999999E-7 7.4539999999E-7 0.0000016669999999 0.0000037269999999 0.0000083339999999 0.00001864 0.00004167 0.00009318 1675-54-3 2286 144209339 A B Bisphenol A diglycidyl ether CC(C)(c2ccc(OCC1CO1)cc2)c4ccc(OCC3CO3)cc4 Tox21_202141 -NCGC00259904-01 196705887 tox21-ror-cho-viability-p1 set1 4 -0.44567053 -4.68177316 -0.34197059 0.06024411 1.01202031 0.2502577 1.01588143 -12.81951651 -18.16852103 0.38589438 0.78546863 1.06332379 1.4205295 3.39360223 1.48338978 1.155E-9 2.582E-9 5.7739999999E-9 1.291E-8 2.887E-8 6.4549999999E-8 1.443E-7 3.2279999999E-7 7.217E-7 0.000001614 0.0000036089999999 0.000008069 0.000018039999999 0.00004035 0.00009022 142-46-1 2724564 144209553 A 2,5-Dithiobiurea NC(=S)NNC(N)=S Tox21_202355 -NCGC00259418-01 196705889 tox21-ror-cho-viability-p1 set1 4 -9.08769033 -1.68605511 -4.81228091 -16.17706658 -5.55317293 -1.56997423 -1.9050799 -10.16644797 -2.42530549 -1.04289992 -0.63157666 -8.64105522 -8.27128617 -12.54753412 -1.83452115 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.558E-8 1.466E-7 3.279E-7 7.3319999999E-7 0.0000016389999999 0.0000036659999999 0.000008197 0.00001833 0.00004099 0.00009165 118-58-1 8363 144209067 A A Benzyl salicylate Oc2ccccc2C(=O)OCc1ccccc1 Tox21_201869 -NCGC00259995-01 196706298 tox21-ror-cho-viability-p1 set1 -2.2 31.0121236216 -35.1289138728 -1.626789852 -36.7557037248 2.1876167061 0.8442805395 0.0026688517 -1.5702587 1.84678819 -0.1309005 2.98070714 -3.24584751 2.15618995 0.69703759 -6.89913078 -13.98521164 -0.2300391 -0.292049 -2.86453743 -12.09501825 -21.49441148 -38.28719138 1.1919999999E-9 2.6649999999E-9 5.96E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.332E-7 7.45E-7 0.0000016659999999 0.000003725 0.000008329 0.00001862 0.000041649999999 0.00009312 145-73-3 3225 144209644 A A Endothal OC(=O)C2C(C1CCC2O1)C(=O)O Tox21_202446 -NCGC00259179-01 196706707 tox21-ror-cho-viability-p1 set1 4 -9.44598598 -1.9094878 -8.22092939 -9.5831363 -12.2892052 -2.64702182 -0.63004574 -7.16228188 -1.08747174 0 -2.84228109 -6.12077438 -0.40445368 -9.44362009 -10.17681297 1.19E-9 2.661E-9 5.95E-9 1.331E-8 2.975E-8 6.653E-8 1.4879999999E-7 3.326E-7 7.438E-7 0.000001663 0.000003719 0.000008316 0.00001859 0.00004158 0.00009297 616-45-5 12025 144208828 A A 2-Pyrrolidinone O=C1CCCN1 Tox21_201630 -NCGC00259017-01 196706718 tox21-ror-cho-viability-p1 set1 4 39.3959528406 -21.79032848 5.5 -16.29032848 0.4 0.4652041101 0.210198297 -0.20118482 9.6941616 9.89436112 7.43895827 8.29935495 -1.02874744 -0.35751615 -3.75198982 -2.46739015 9.94197224 -1.36240172 0.95264547 -1.67993188 -7.14221944 -10.2419404 1.2009999999E-9 2.6849999999E-9 6.0029999999E-9 1.3419999999E-8 3.0009999999E-8 6.711E-8 1.501E-7 3.356E-7 7.5029999999E-7 0.0000016779999999 0.0000037519999999 0.0000083889999999 0.00001876 0.00004195 0.00009379 67747-09-5 73665 144208664 A A Prochloraz O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2 Tox21_201466 -NCGC00183871-04 196704656 tox21-ror-cho-viability-p1 set1 4 2.10110617 1.94534904 -1.63779388 -0.54754827 1.51969873 0.52202011 0.47629224 -0.68353969 0.89230874 1.94965143 5.19746411 -1.53841335 1.08382022 3.32205252 -0.21522715 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21312-10-7 65280 170466005 A N-Acetyl sulfamethoxazole Cc2cc(NS(=O)(=O)c1ccc(NC(C)=O)cc1)no2 Tox21_113591_1 -NCGC00091044-02 196704258 tox21-ror-cho-viability-p1 set1 4 0.3673464878 3.5659900559 -3.0659900559 0.5 3.0654483358 0.3369014919 0.3355922658 -0.93482909 -0.11119466 -4.54370348 -0.37178267 -1.10363805 -6.5080491 -10.47165838 -0.22438591 0.53149323 -0.42954747 1.15624172 0.97855318 0.83489217 0.66771829 -0.12505019 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00160362-02 196704259 tox21-ror-cho-viability-p1 set1 4 -2.68599713 -3.57360943 -8.23860154 -8.48097708 -4.1260906 -8.68009983 0.81201001 0.33039238 -1.6524857 -4.35971319 0.01128809 -5.41456344 -3.08830494 -10.48368358 -6.32654724 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5663-71-8 10252 170466400 A Acetylsalicylamide O=C(NC(C)=O)c1ccccc1O Tox21_111763_1 -NCGC00253674-01 196704651 tox21-ror-cho-viability-p1 set1 4 3.76436322 1.55858806 5.20346445 0.45098621 0.58022106 8.06836518 0.30626236 5.62093261 6.54807968 2.883458 1.69750125 3.37357598 1.79524884 1.36455965 2.66828627 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 86393-33-1 483180 170466716 A A Fluoroquinolonic acid O=C(O)C2=CN(c1cc(Cl)c(F)cc1C2=O)C3CC3 Tox21_113798 -NCGC00247681-01 196704668 tox21-ror-cho-viability-p1 set1 4 36.0257868628 -11.2347996399 -1.5 -12.7347996399 4.9549173134 0.7643774864 0.0157092792 -5.82675146 -1.74730124 -3.51401765 -4.46633873 -0.47434857 1.39021592 -0.92217641 -1.2134143 -0.92656873 0.80001784 -1.46118669 -0.48008326 -0.93484394 -9.85672749 -12.2789997 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 911-65-9 13493 144206383 B B Etonitazene [O-][N+](=O)c2cc3nc(Cc1ccc(OCC)cc1)n(CCN(CC)CC)c3cc2 Tox21_112830 -NCGC00357261-01 196703235 tox21-ror-cho-viability-p1 set1 4 1.10967796 2.73550895 0.27865116 0.6671778 -5.67961766 -1.20480713 -1.8655808 -3.30638733 6.84063415 -0.25641194 2.00097398 0.25943948 3.541014 2.16690597 -4.45225239 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6843-66-9 81284 251919803 F Dimethoxy(diphenyl)silane CO[Si](OC)(c1ccccc1)c2ccccc2 Tox21_303725 -NCGC00258758-01 196702822 tox21-ror-cho-viability-p1 set1 4 1.08951345 2.24870293 3.22132885 0.50989168 0.40405506 2.16327402 1.53063294 2.15301609 4.76443571 7.11444162 1.1917868 0.55319993 -0.37870333 0.15294977 5.03526074 1.157E-9 2.587E-9 5.786E-9 1.2939999999E-8 2.8929999999E-8 6.4689999999E-8 1.446E-7 3.234E-7 7.2319999999E-7 0.000001617 0.0000036159999999 0.000008086 0.000018079999999 0.00004043 0.0000904 17369-59-4 6259976 144208404 A B 3-Propylidenephthalide CC\C=C1\OC(=O)c2ccccc12 Tox21_201206 -NCGC00260608-01 196703221 tox21-ror-cho-viability-p1 set1 4 37.5780357627 -12.8003720999 -0.5 -13.3003720999 4.9549173134 0.3826772338 0.289660705 0.70868058 -0.09413545 -1.71635616 2.04647734 -11.91697675 0.54635529 -0.62002473 -1.50687396 -0.01552672 2.59799348 2.12983375 -2.16524006 0.17111455 1.54260406 -11.50597526 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49504 144210261 M M NTP Mix11 AR1 8-EQP Tox21_203063 -NCGC00260055-01 196703230 tox21-ror-cho-viability-p1 set1 4 0.03885005 0.20630591 1.02506807 5.44057573 1.21252495 1.09079426 3.5500524 2.52999913 7.05203383 -4.30131797 0.58114798 7.32537522 2.98786839 0.90534364 3.0396563 1.2279999999E-9 2.7469999999E-9 6.142E-9 1.3729999999E-8 3.071E-8 6.8669999999E-8 1.535E-7 3.4329999999E-7 7.677E-7 0.000001717 0.000003839 0.0000085829999999 0.00001919 0.00004292 0.00009596 109-89-7 8021 144209704 Fns Diethylamine CCNCC Tox21_202506 -NCGC00260487-01 196703238 tox21-ror-cho-viability-p1 set1 4 69.008347349 -17.938216648 2 -15.938216648 4.9549173134 0.7815166568 0.011582552 5.95872517 2.2109387 1.75124337 3.73445916 3.43843989 3.35343481 2.3691397 -0.27814982 1.63794902 0.26751832 -0.69340257 -1.64724724 3.92929051 2.01186963 -12.86518054 1.1859999999E-9 2.651E-9 5.928E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009262 70-11-1 6259 144210139 F C 2-Bromoacetophenone O=C(CBr)c1ccccc1 Tox21_202941 -NCGC00260508-01 196703239 tox21-ror-cho-viability-p1 set1 4 10.6038574895 -10.78405016 0 -10.78405016 4.9549173134 0.8547232859 0.0019776376 1.37554027 -0.00606584 -0.43873774 -0.80531795 0.85650542 0.9157481 3.47897238 -2.73656837 -0.75431942 -0.11138268 -0.67221857 0.82603681 -3.58263807 -12.3200418 -8.69803806 5.905E-10 1.32E-9 2.952E-9 6.601E-9 1.476E-8 3.3009999999E-8 7.381E-8 1.65E-7 3.69E-7 8.252E-7 0.000001845 0.000004126 0.000009226 0.000020629999999 0.00004613 10527-16-9 82703 144210160 A F 10-Chloro-9-anthraldehyde O=Cc2c1ccccc1c(Cl)c3ccccc23 Tox21_202962 -NCGC00357039-01 196703240 tox21-ror-cho-viability-p1 set1 4 0.80840825 1.79200105 0.15408033 0.4186992 0.0462815 -1.89806601 -0.05019818 -1.61112513 0.24423041 0.34739329 1.09308075 2.09902685 -0.10461448 1.60050588 -0.62304673 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-32-1 7799 251919845 Ac Ethyl octanoate O=C(CCCCCCC)OCC Tox21_303730 -NCGC00260502-01 196703642 tox21-ror-cho-viability-p1 set1 4 19.2132890434 -16.866938456 2.5 -14.366938456 4.9549173134 0.7573144584 0.0174023819 3.04243062 2.87705876 2.28681033 0.58861468 0.36052943 -1.31394058 0.81053235 1.99662682 3.57564308 -0.39403022 8.40659032 9.56772612 -6.75096581 -9.41525154 -18.63911538 1.1739999999E-9 2.625E-9 5.87E-9 1.3129999999E-8 2.9349999999E-8 6.5629999999E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003669 0.000008203 0.00001834 0.00004102 0.000091709999999 2039-76-1 74867 144210154 A A 3-Acetylphenanthrene CC(=O)c2ccc3ccc1ccccc1c3c2 Tox21_202956 -NCGC00260648-01 196703643 tox21-ror-cho-viability-p1 set1 4 0.0188336318 5.395199284 -2.895199284 2.5 4.0949729863 0.5038832087 0.1935966634 -0.88020549 -4.84716711 -4.91266607 -0.51013896 -1.64884062 1.61713054 5.20727492 7.05737605 3.77424111 4.60527861 -1.73558516 0.33825122 0.05578937 1.14157981 -0.57186299 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49544 144210301 M M NTP Mix89 ER AR1 18-EQP Tox21_203103 -NCGC00025283-02 196698275 tox21-ror-cho-viability-p1 set1 4 0.22929109 2.74675504 1.58037632 -4.20605782 0.88612129 -3.52532349 0.57486492 -5.90359946 -0.45264079 -6.89139397 -0.84701411 0.7138201 0.0151885 0.14039102 1.57637906 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72420-38-3 51576 170466616 Ac Acifran CC1(OC(=CC1=O)C(=O)O)c2ccccc2 Tox21_110958_1 -NCGC00181780-01 196697859 tox21-ror-cho-viability-p1 set1 4 16.7854920005 -12.729817228 2.5 -10.229817228 2.4063783767 0.5113424865 0.1690140513 1.99990076 3.4471661 -2.72893713 2.09833173 7.98660944 1.89861702 0.64706177 4.38956826 4.81755194 -1.30724591 -1.77646939 1.81791563 6.0009601 -9.77484769 -7.6709135 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1224-92-6 92877 144206942 A A 5alpha-Androstan-3beta-ol C[C@@]34CC[C@H]1[C@@H](CC[C@H]2C[C@@H](O)CC[C@]12C)[C@@H]4CCC3 Tox21_113391 -NCGC00274079-01 196698259 tox21-ror-cho-viability-p1 set1 4 0.15874001 0.07074338 -1.74476171 -2.27428848 1.16747972 -3.06815863 -2.88511072 -0.97077661 -1.88888744 -2.24697806 1.3036198 1.19303525 -0.76765164 0.26626522 -0.12550671 1.1799999999E-10 2.638E-10 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 1198-77-2 23697816 170465686 F Sodium urate [Na+].O=C1NC(=O)NC=2[N-]C(=O)NC1=2 Tox21_112696_1 -NCGC00163319-03 196717217 tox21-ror-cho-viability-p1 set2 4 1.0889759 0.31843871 2.19642097 2.35682237 5.5417682 4.54599584 4.16893991 2.7257412 -1.18838857 -1.80061208 -0.09422015 3.86056957 -1.79975389 2.18410481 9.51671513 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61-19-8 6083 170466132 A Adenosine-5-phosphate O=P(O)(O)OC[C@H]3O[C@@H](n2cnc1c(N)ncnc12)[C@H](O)[C@@H]3O Tox21_112046_1 -NCGC00090987-03 196716804 tox21-ror-cho-viability-p1 set2 4 27.3060203028 -14.131902428 4.5 -9.631902428 0.6999999999 0.6501313736 0.0647078961 1.74223013 1.62221126 3.49473126 6.09166598 5.50474917 5.4881377 6.24539391 8.46080937 -0.50893007 0.41217269 1.41412263 -0.19380051 0.79893098 -3.18252029 -6.35991869 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00262966-01 196717209 tox21-ror-cho-viability-p1 set2 4 1.10005793 1.63663844 0.24532326 1.45337298 -5.66688908 -10.64076533 -5.91153576 -1.14448779 2.32679245 1.16641168 2.05399515 1.37788702 -0.09685885 1.1754465 1.02919889 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103775-14-0 55331 170466490 B F Moexiprilat O=C(O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2Cc3cc(OC)c(OC)cc3C[C@H]2C(=O)O Tox21_113957 -NCGC00018122-11 196717213 tox21-ror-cho-viability-p1 set2 4 0.3349145963 -8.3445254359 6 -2.3445254359 4.9549173134 0.6400542692 0.0704127489 1.59324445 1.10946601 7.07948151 1.82615029 8.78434937 9.85867397 10.05629201 9.56951404 0.47789048 -0.22145481 -1.74762319 -1.95427279 -0.17349894 -2.91871716 -5.28710453 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 88107-10-2 3969 170466250 A Tomelukast CC(=O)c2ccc(OCCCCc1nnnn1)c(CCC)c2O Tox21_110828_1 -NCGC00166200-02 196717219 tox21-ror-cho-viability-p1 set2 4 1.8220142 1.76187709 1.5564629 4.22218524 7.29022675 6.62595761 5.8640621 6.66039937 0.51247222 1.76619402 -0.90092665 -0.53492787 2.28905905 1.86881332 0.62233123 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 116-52-9 8313 170466125 F Dichloralurea ClC(Cl)(Cl)C(O)NC(=O)NC(O)C(Cl)(Cl)Cl Tox21_112344_1 -NCGC00163930-04 196717220 tox21-ror-cho-viability-p1 set2 4 1.49235817 -6.38391269 -2.83571484 -6.81606405 -4.8382756 -5.81499254 -1.44272154 -0.15315316 -3.88097178 -1.71630962 -0.45480049 0.55227789 -0.01482572 1.17290123 -1.55255583 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00090965-04 196717230 tox21-ror-cho-viability-p1 set2 4 48.5577336745 -17.7219038 1 -16.7219038 2.1210667061 0.8300838525 0.0039986174 1.55175447 -0.01843496 3.08662834 3.7091466 0.04616425 4.34648072 -2.89096279 1.22548215 -0.71027929 0.29253601 0.35977597 0.10719809 -0.96590737 -6.13801326 -13.1015865 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00160370-02 196717233 tox21-ror-cho-viability-p1 set2 4 -3.22968353 1.49273329 1.43922235 -2.75373464 0.35828213 0.29699316 -1.00040324 1.08491215 -2.26592009 1.32081498 0.13569584 -0.71166849 -1.08182855 -3.54084612 0.67519546 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7007-96-7 5360232 170466323 A Crotoniazide O=C(N\N=C\C=CC)c1ccncc1 Tox21_111768_1 -NCGC00090704-03 196717632 tox21-ror-cho-viability-p1 set2 4 3.27537591 3.2904418 1.52364917 4.64051699 6.19770597 3.9170139 4.6891106 -2.10898972 3.37197228 0.24671097 3.24631751 1.91375852 2.62362945 -0.06101988 3.34839235 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00254506-01 196713920 tox21-ror-cho-viability-p1 set2 4 -0.94725705 -0.27504166 0.42772029 0.13097301 -0.69422745 3.13844203 0.26853399 0.88974201 2.7000924 0.54180514 0.05410678 6.01855537 3.39228038 5.33002885 5.29697027 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-27-2 7603 144210831 A A N-Ethyl-3-methylaniline CCNc1cc(C)ccc1 Tox21_300513 -NCGC00253976-01 196713911 tox21-ror-cho-viability-p1 set2 4 54.4826732819 19.609744652 -4.609744652 15 1.8579476909 0.7407044577 0.0225703177 -1.99843244 -7.89870309 -4.25987188 -2.06330124 -6.57305026 -5.89098809 -5.94964554 -8.42478721 -1.13897789 -4.19611025 -3.7874501 -0.44581178 -0.69602278 0.59723622 10.84681714 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-61-1 7567 144210450 A A 4,4'-Methylenebis(N,N-dimethylaniline) CN(C)c2ccc(Cc1ccc(cc1)N(C)C)cc2 Tox21_300130 -NCGC00254945-01 196713915 tox21-ror-cho-viability-p1 set2 4 9.6885416101 -6.5713786359 1.5 -5.0713786359 3.9294729863 0.5495461473 0.154208126 -0.32013728 0.74054905 2.52584818 3.34850623 0.46969748 2.37732722 -2.57573298 0.34145162 0.4168225 6.05801452 0.22602506 -0.62412062 -5.89281553 -4.09498356 -0.07672723 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-54-8 7660 144211360 A A 3-Phenylprop-2-en-1-yl acetate CC(=O)OCC=Cc1ccccc1 Tox21_301043 -NCGC00254459-01 196713918 tox21-ror-cho-viability-p1 set2 4 2.59939204 -0.08871517 -0.47414576 1.43819376 -0.39067784 -0.74150714 1.23651694 1.62233769 0.46681938 1.13016951 -0.28508664 3.20415861 4.88263414 1.66590007 1.9610392 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-83-8 6989 144210676 A A Thymol CC(C)c1ccc(C)cc1O Tox21_300358 -NCGC00258006-01 196730350 tox21-ror-cho-viability-p1 set3 4 -4.31408924 -1.24941743 -0.21470991 0.20707979 -0.57842462 0.89148007 -1.10428363 1.12936247 0.98113795 2.03109049 -0.32822207 1.66253413 1.05382638 0.4207117 -1.31184701 1.1689999999E-9 2.6129999999E-9 5.843E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.461E-7 3.2659999999E-7 7.3029999999E-7 0.0000016329999999 0.000003652 0.0000081649999999 0.00001826 0.000040829999999 0.00009129 939-97-9 70324 144207650 A Fns 4-tert-Butylbenzaldehyde CC(C)(C)c1ccc(C=O)cc1 Tox21_200452 -NCGC00257949-01 196730362 tox21-ror-cho-viability-p1 set3 4 27.8344740659 -13.156308988 2.5 -10.656308988 4.9549173134 0.696190299 0.0493011217 0.41191333 0.21253691 1.00058028 -0.3239493 3.81973306 3.18864212 3.19538486 0.59992961 4.65088708 7.61556623 0.69989275 3.20834612 3.56570649 -11.38025749 -4.38279857 1.1989999999E-9 2.6819999999E-9 5.997E-9 1.3409999999E-8 2.999E-8 6.705E-8 1.4989999999E-7 3.352E-7 7.496E-7 0.000001676 0.000003748 0.000008381 0.000018739999999 0.00004191 0.00009371 120-62-7 8442 144207593 A A Piperonyl sulfoxide CCCCCCCCS(=O)C(C)Cc1ccc2OCOc2c1 Tox21_200395 -NCGC00184983-03 196698444 tox21-ror-cho-viability-p1 set1 4 0.24789717 5.6188307 2.15732481 4.2191595 1.17867706 0.19952815 3.31801806 3.82339843 3.99093234 4.86217596 1.19426711 -1.59501495 1.55605013 0.45691402 0.19556304 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1617-90-9 15376 170466430 A Vincamine O=C(OC)[C@@]5(O)C[C@@]4(CCCN3CCc2c1ccccc1n5c2[C@@H]34)CC Tox21_111342_1 -NCGC00260414-01 196724183 tox21-ror-cho-viability-p1 set3 4 49.7452690828 13.50293408 -0.50293408 13 4.4494702849 0.4266925728 0.2468623106 -8.05864994 -2.16039606 2.18676935 1.38189627 6.31936276 0.61646363 -4.25940412 1.4556155 -0.7237167 -0.60131051 4.33985456 -0.39324833 -8.3357784 4.10713488 12.29822488 1.204E-9 2.6909999999E-9 6.018E-9 1.346E-8 3.009E-8 6.729E-8 1.5049999999E-7 3.3639999999E-7 7.523E-7 0.000001682 0.000003761 0.000008411 0.000018809999999 0.000042049999999 0.00009404 7447-39-4 169664 144210066 Copper(II) chloride [Cu+2].[Cl-].[Cl-] Tox21_202868 -NCGC00260203-01 196724186 tox21-ror-cho-viability-p1 set3 4 -4.75546359 3.51441135 4.286845 3.16268818 8.26769477 -3.56479103 4.80943456 5.6930215 -3.71841451 4.91643111 5.11644263 -1.0245189 -2.01214251 0.03386203 5.09143318 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004135 0.00009247 85100-76-1 60196377 144209853 F F 1-Methyl-3-propylimidazolium bromide Br.CCCN1C=CN(C)C1 Tox21_202655 -NCGC00159326-03 196698023 tox21-ror-cho-viability-p1 set1 4 1.39526586 2.29283756 2.24601567 -0.00378167 0.37492942 0.51804889 0.75087052 3.14012969 2.19085924 0.34439345 2.53061653 0.53111833 -0.63959019 1.49896398 -1.23820295 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 859-18-7 64710 170465252 A Lincomycin hydrochloride Cl.O[C@@H]1[C@@H](O)[C@@H](O)[C@H](O[C@@H]1SC)[C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@@H](C)O Tox21_111575_1 -NCGC00090698-04 196698857 tox21-ror-cho-viability-p1 set1 4 -4.20047056 2.81474905 0.20303489 -2.5379306 -2.89915273 -3.19113613 3.20491083 -0.08856551 -0.12651469 -1.68720653 -2.71399924 0.40845553 1.05409694 3.36118392 0.62481695 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00256405-01 196707558 tox21-ror-cho-viability-p1 set1 4 5.5273337127 9.8935127799 -10.3935127799 -0.5 4.9549173134 0.6549705606 0.0614268431 -9.04562071 -11.61045683 -6.045146 -8.95100293 -11.21254745 -5.93198502 -12.94151498 -11.95978192 -12.12541136 -10.1427635 -14.91126065 1.71306029 -2.95207817 -4.71603227 3.4409413 1.085E-9 2.427E-9 5.427E-9 1.213E-8 2.713E-8 6.067E-8 1.3569999999E-7 3.034E-7 6.7839999999E-7 0.0000015169999999 0.000003392 0.0000075839999999 0.00001696 0.00003792 0.00008479 124-22-1 13583 144213257 A Ac 1-Dodecanamine CCCCCCCCCCCCN Tox21_302940 -NCGC00066947-05 196707139 tox21-ror-cho-viability-p1 set1 4 0.0769588215 -6.9815424681 -7.0639352839 -14.045477752 1.8851180601 0.5585217078 0.14502441 -14.2202203 -5.0402625 -4.21994607 -5.1873182 -7.60185356 -11.61124405 -11.30270036 -12.58063525 -17.12123146 -16.6086008 -16.0414819 -13.08068234 -11.57893599 -11.85643642 -9.8621299 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00256331-01 196707543 tox21-ror-cho-viability-p1 set1 4 43.2771256911 9.2933974719 -5.7933974719 3.5 3.9899729863 0.3763306836 0.29641898 -4.40024128 -8.45628998 0.861685 -3.93899076 -7.90844066 -11.91116456 -2.41404501 -7.23244 -4.92844781 -5.19019583 -2.77712433 -6.4119654 -8.79972525 -1.40193025 3.00008416 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 528-44-9 10708 144213307 A A 1,2,4-Benzenetricarboxylic acid OC(=O)c1cc(ccc1C(=O)O)C(=O)O Tox21_302990 -NCGC00257071-01 196707551 tox21-ror-cho-viability-p1 set1 4 -1.07500529 0.56094654 -1.22938101 0.314291 1.38782615 -1.99988862 3.98334736 -8.14527503 3.05709845 1.37804175 2.53712508 -0.5049622 5.06871888 0.20264184 5.26617156 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 7664-38-2 1004 144213563 A A Phosphoric acid O=P(O)(O)O Tox21_303246 -NCGC00257243-01 196707561 tox21-ror-cho-viability-p1 set1 4 1.1751985025 5.4020537719 -3.9020537719 1.5 3.5117481694 0.4256944859 0.2488013363 -1.11515921 -1.16742032 -8.29619763 -3.70907881 -1.3264943 -7.58211122 -1.92673605 -1.32968309 -9.08504481 4.52239914 2.38009506 -0.39401443 0.43970326 3.43238681 -0.0112884 1.144E-9 2.559E-9 5.7219999999E-9 1.2789999999E-8 2.861E-8 6.397E-8 1.4299999999E-7 3.199E-7 7.1519999999E-7 0.0000015989999999 0.0000035759999999 0.000007996 0.000017879999999 0.000039979999999 0.0000894 989-51-5 65064 144213767 A A (-)-Epigallocatechin gallate Oc1cc(cc(O)c1O)C(=O)O[C@@H]3Cc2c(cc(O)cc2O)O[C@@H]3c4cc(O)c(O)c(O)c4 Tox21_303457 -NCGC00256841-01 196707956 tox21-ror-cho-viability-p1 set1 4 12.07536675 0.49593375 -0.67070183 0.5097624 1.88684279 1.9695344 4.78111623 5.60338601 6.73005107 1.67388873 2.15832632 10.10634485 7.26111171 1.19418482 1.12859453 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 116296-31-2 4420067 144212935 A A 3-Thiatetradecanoic acid O=C(O)CSCCCCCCCCCCC Tox21_302618 -NCGC00256568-01 196707957 tox21-ror-cho-viability-p1 set1 4 3.48371412 -1.65095966 2.08160975 -0.53828322 -1.23561582 1.62952818 0.90746007 1.90140598 1.86536391 -0.99298019 0.87938054 2.48399034 1.27045621 0.8061986 -1.48134541 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-46-9 7142 144213166 A A N,N'-Di-2-naphthyl-p-phenylenediamine c1cc5ccccc5cc1Nc2ccc(cc2)Nc3cc4ccccc4cc3 Tox21_302849 -NCGC00256673-01 196707960 tox21-ror-cho-viability-p1 set1 4 -7.7834085 0.527868 -11.36538971 -14.3749015 -9.97403596 -5.73455566 -13.32198938 -14.94679583 -5.98796244 -12.19677519 -10.20120176 -3.15903921 -0.23155994 -11.08659721 -0.53301834 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 138-15-8 2723891 144212969 Z A L-Glutamic acid hydrochloride Cl.OC(=O)CC[C@H](N)C(=O)O Tox21_302652 -NCGC00256840-01 196707977 tox21-ror-cho-viability-p1 set1 4 -2.56356559 2.15618936 1.52184808 3.07735793 5.29547707 4.75459634 0.43829336 4.3747476 1.38827035 2.27297867 -1.38365608 5.65712393 -2.26433189 -0.24572949 6.68568639 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-07-3 8380 144212920 C Ac Octyl decyl phthalate O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC Tox21_302603 -NCGC00257079-01 196707150 tox21-ror-cho-viability-p1 set1 4 0.93486771 -0.04433877 2.96782421 0.81143257 3.07268912 4.39070246 1.46476305 11.2988901 5.77903852 6.290515 1.97591364 0.37034507 6.96941193 2.2021777 3.41515057 1.106E-9 2.4729999999E-9 5.53E-9 1.236E-8 2.765E-8 6.182E-8 1.3819999999E-7 3.091E-7 6.912E-7 0.0000015459999999 0.0000034559999999 0.000007728 0.00001728 0.000038639999999 0.0000864 2016-88-8 16230 144213385 A A Amiloride hydrochloride Cl.Clc1nc(C(=O)NC(=N)N)c(N)nc1N Tox21_303068 -NCGC00258915-01 196706733 tox21-ror-cho-viability-p1 set1 4 2.79075927 -5.24054988 -2.79126202 -20.99794492 2.14588781 0.72532132 2.58801489 2.88946897 -0.00866197 -6.40824511 2.17079875 0.79438188 4.7029348 2.00960707 0.25971194 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.61E-8 1.4779999999E-7 3.305E-7 7.3899999999E-7 0.0000016519999999 0.0000036949999999 0.000008262 0.000018469999999 0.00004131 0.00009237 126-30-7 31344 144208561 B A 2,2-Dimethylpropane-1,3-diol CC(C)(CO)CO Tox21_201363 -NCGC00259718-01 196706743 tox21-ror-cho-viability-p1 set1 -2.4 22.3090111835 -27.4479560679 -3.5 -30.9479560679 1.331 0.783057504 0.0111224954 -6.29658233 -7.90512678 -4.59434687 -9.50350717 2.94107486 0.51130096 -3.07136198 -3.92579151 -3.84954168 0 0.79245912 -15.94056808 -15.63403484 -19.41317501 -29.53996339 1.208E-9 2.7E-9 6.038E-9 1.3499999999E-8 3.019E-8 6.751E-8 1.51E-7 3.375E-7 7.548E-7 0.0000016879999999 0.0000037739999999 0.000008439 0.00001887 0.000042189999999 0.000094349999999 13311-84-7 3397 144209367 A A Flutamide O=C(Nc1cc(c(cc1)[N+]([O-])=O)C(F)(F)F)C(C)C Tox21_202169 -NCGC00263576-01 196704895 tox21-ror-cho-viability-p1 set1 4 0.0149600855 6.607790172 -7.607790172 -1 0.9999999999 0.5217653968 0.1613037308 -3.67866986 -10.50649181 -6.76621683 -7.78837596 0.56072552 -4.69140305 -4.7298273 0.12010637 -0.68666668 -3.19662896 -0.16749272 -1.28157534 0.22491253 -2.12363313 -0.59009846 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51952-41-1 60196354 170464922 A Gonadorelin hydrochloride Cl.O=C(NCC(N)=O)[C@H]6CCCN6C(=O)[C@@H](CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CO)NC(=O)[C@@H](Cc3cnc2ccccc23)NC(=O)[C@H](Cc4cncn4)NC(=O)[C@H]5CCC(=O)N5 Tox21_113381_1 -NCGC00253670-01 196704491 tox21-ror-cho-viability-p1 set1 4 8.21194586 9.14815254 -0.00238255 1.94221428 -0.01710139 4.77146001 1.00193901 5.30997196 0.14224951 1.58787658 3.27415105 3.249962 2.75692393 2.07969209 1.91269334 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 96036-03-2 441130 170466350 D Fns Meropenem O[C@H](C)[C@H]3C(=O)N2C(=C(S[C@H]1C[C@H](NC1)C(=O)N(C)C)[C@H](C)[C@@H]23)C(=O)O Tox21_113794 -NCGC00253693-01 196704888 tox21-ror-cho-viability-p1 set1 4 0.80929006 1.06818911 -0.55363834 1.1888289 2.38775646 -1.45418688 2.49628988 1.70657408 -12.12474323 -2.4996993 -2.77672235 -0.44280073 -0.10919916 -0.09885221 -1.24542328 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55453-87-7 41448 170466166 A A Isoxepac O=C(O)Cc1ccc2OCc3ccccc3C(=O)c2c1 Tox21_113815 -NCGC00167467-03 196704890 tox21-ror-cho-viability-p1 set1 4 -0.38104664 1.42884452 -6.52125703 1.79030893 0.5753757 1.76348212 0.17081344 -0.36193354 1.53211888 -6.74009208 -1.04696848 -0.29426282 0.34917896 -0.95325958 0.53940872 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50700-72-6 39764 170465295 A Vecuronium bromide [Br-].C[N+]1(CCCCC1)[C@H]6C[C@@H]5[C@](C)(CC[C@H]2[C@H]5CC[C@H]3C[C@H](OC(C)=O)[C@H](C[C@]23C)N4CCCCC4)[C@H]6OC(C)=O Tox21_112471_1 -NCGC00015479-19 196704903 tox21-ror-cho-viability-p1 set1 4 0.33470863 -6.01585293 -4.93678247 -0.17049509 -0.46472543 -0.7820647 0.05903589 -0.69013821 -0.43190184 0.22448826 -4.52959883 -1.74383625 -4.24525477 -1.50670927 -9.23164659 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 446-72-0 5280961 170466848 A Genistein Oc1ccc(cc1)C3=COc2cc(O)cc(O)c2C3=O Tox21_110161_1 -NCGC00095042-06 196705323 tox21-ror-cho-viability-p1 set1 4 32.2965172522 12.741531512 -3.741531512 9 0.5999999999 0.5705035321 0.1202992775 -7.70127626 -0.11618467 -5.53317799 -5.18722074 -0.55761223 -3.26356801 -2.8033807 0.6625785 -5.16390049 -4.34199815 -0.26903455 2.19446261 0.17713592 1.37034855 6.59204084 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00254518-01 196699943 tox21-ror-cho-viability-p1 set1 4 0.054095061 5.964312556 -2.464312556 3.5 1.6258976909 0.6089353652 0.0920247673 1.60745994 -4.13692713 -3.77536406 -2.97120095 0.33227905 0.68759419 1.90494541 3.19171538 5.43092371 4.91558423 1.45730127 0.4509219 5.74464772 1.46752705 5.97150929 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.0000036659999999 0.000008198 0.00001833 0.00004099 0.000091659999999 4291-63-8 20279 144210913 A A Cladribine Nc3nc(Cl)nc2c3ncn2[C@H]1C[C@H](O)[C@@H](CO)O1 Tox21_300596 -NCGC00254697-01 196699522 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -15.9695558479 0 -15.9695558479 4.9549173134 0.7454192128 0.0211974435 2.13358952 0.02088602 -0.38029327 -1.79701299 -0.20611379 0.13347371 -1.36714756 2.23660379 0.85566632 1.79417911 -5.66401118 -0.38123164 -0.20137762 -1.26845124 -12.89129654 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13360-45-7 25912 144211110 A A Chlorbromuron Clc1cc(NC(=O)N(C)OC)ccc1Br Tox21_300793 -NCGC00254831-01 196699934 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -23.802741324 -2.025496208 -25.828237532 1.0999999999 0.7423262489 0.022042088 -3.46712489 -0.02124684 -6.52407702 -3.8797923 -1.99651702 -3.46451918 -1.28432233 -2.71770383 -3.80277668 -3.77711513 -2.36316865 -2.22858391 -8.06910678 -6.19274827 -19.85686461 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-50-0 2268 144211246 B B Azinphos-methyl COP(=S)(OC)SCN1N=Nc2ccccc2C1=O Tox21_300929 -NCGC00255097-01 196699941 tox21-ror-cho-viability-p1 set1 4 0.0105028266 -52.04103384 -27.65653543 -11.59698414 -7.0552952 -6.64823501 -4.71010489 -1.73076043 -3.42971232 -2.47095618 -1.52473406 1.45961114 -1.07127267 -1.20124503 2.0896539 9.83379559 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-44-2 7756 144211517 I I N-Hydroxy-4-methylpentan-2-imine CC(C)CC(\C)=N\O Tox21_301200 -NCGC00256183-01 196700335 tox21-ror-cho-viability-p1 set1 4 0.39584096 0.51625257 0.50748674 1.33261031 0.74087593 -1.74103078 1.40415533 0.5260521 -0.2888979 0.46384956 1.1779353 1.89371435 -0.69312813 -0.74478549 1.26096114 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-04-6 94932 144211715 A I 4,4'-Propane-2,2-diyldicyclohexanol OC1CCC(CC1)C(C)(C)C2CCC(O)CC2 Tox21_301398 -NCGC00256280-01 196700340 tox21-ror-cho-viability-p1 set1 4 3.21885658 -0.56424458 -4.33784878 -0.85302485 -4.75719241 5.90705063 4.97373056 4.53186042 3.44716227 0.06367084 -1.10737844 -1.00413519 -0.10755015 8.06492622 4.24501114 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5117-12-4 98723 144211975 A A 1-(Morpholin-4-yl)prop-2-en-1-one O=C(C=C)N1CCOCC1 Tox21_301658 -NCGC00257473-01 196718463 tox21-ror-cho-viability-p1 set2 4 0.05865395 -0.48364561 -0.62126143 3.5910095 -0.03645011 4.41735656 -0.50187652 1.99464832 4.74016773 2.29107178 1.95887387 0.43502777 3.29292113 2.07937684 0.01156033 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 32388-55-9 16220111 144213790 A F 1-Cedr-8-en-9-ylethanone CC(=O)C=1C[C@]23C[C@@H](C=1C)C(C)(C)[C@@H]3CC[C@H]2C Tox21_303481 -NCGC00253771-01 196718054 tox21-ror-cho-viability-p1 set2 4 -1.84769322 0.24922103 -0.0005032 -3.77713961 -4.1757315 -2.35471127 -1.05057564 -12.78081359 2.32636173 4.43487601 -0.59106319 -0.53463135 1.07723753 0.95589466 0.84038436 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 30187-90-7 146256 170466515 A A Xibenolol CC(C)(C)NCC(O)COc1cccc(C)c1C Tox21_113884 -NCGC00253620-01 196718055 tox21-ror-cho-viability-p1 set2 4 0.74634138 3.81490248 -0.68636558 0.79351089 1.93653199 -1.71133108 2.57132985 0.89053274 3.52374085 1.13503933 3.17440769 1.78594642 3.36224672 -0.31296007 4.80592413 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13035-61-5 83064 170466768 Ac A 1,2,3,5-Tetraacetyl-.-d-ribofuranose O=C(C)O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O Tox21_113750 -NCGC00091586-02 196718461 tox21-ror-cho-viability-p1 set2 4 -1.08253863 1.75859452 -1.18391363 4.10855652 1.01643506 -9.0636008 -8.06304386 -6.96044643 0.21049296 -1.05214726 0.99063526 3.90368127 1.92735687 0.06711745 -7.67250103 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.042E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00256474-01 196718479 tox21-ror-cho-viability-p1 set2 4 0.1789171 0.24016661 3.43445771 3.30644801 0.10690009 2.98505379 1.36609723 4.32691747 -0.78254074 3.76146798 -9.4320119 1.69527458 1.34488833 5.96830758 -0.46285407 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-70-9 7522 144213149 A F 2-Pyridinecarbonitrile N#Cc1ccccn1 Tox21_302832 -NCGC00257010-01 196718876 tox21-ror-cho-viability-p1 set2 -1.1 19.3311819617 -78.9742595804 -10.5319346 -89.5061941804 3.9899729863 0.9925422354 1E-10 -10.35202686 -8.13281423 -9.60241743 -15.55874846 -6.50213804 -9.50459176 -12.02636187 -10.74688346 -8.74183227 -10.05661462 -13.34363239 -13.80528973 -46.1006422 -88.79582756 -86.39235827 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 67485-29-4 5281875 144213478 A A Hydramethylnon CC3(C)CN/C(=N\N=C(/C=C/c1ccc(cc1)C(F)(F)F)\C=C\c2ccc(cc2)C(F)(F)F)NC3 Tox21_303161 -NCGC00256666-01 196718878 tox21-ror-cho-viability-p1 set2 4 1.5783213 -4.81541024 2.22697107 -2.62666566 -3.8229954 0.67673635 -3.51335475 -1.57835046 1.94312312 -0.55313441 -1.71477964 -3.12731651 2.34681957 2.0099366 -4.73965273 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-91-8 61054 144212852 A A 4-Methoxybenzyl formate COc1ccc(COC=O)cc1 Tox21_302535 -NCGC00257837-01 196716007 tox21-ror-cho-viability-p1 set2 4 26.8623235891 6.7468354599 -1.7468354599 5 1.6435888099 0.3200019567 0.3518764785 2.02723207 -0.19920149 -2.38208376 -4.17228653 2.97838718 -2.4160091 -5.14762752 -1.54566058 1.21554158 -6.03902955 -3.81197687 1.95888047 -0.63146445 3.23001973 4.05470237 1.164E-9 2.603E-9 5.821E-9 1.302E-8 2.91E-8 6.508E-8 1.4549999999E-7 3.254E-7 7.276E-7 0.0000016269999999 0.0000036379999999 0.000008135 0.00001819 0.00004067 0.00009095 1116-54-7 14223 144207481 A A N-Nitrosodiethanolamine OCCN(N=O)CCO Tox21_200283 -NCGC00257970-01 196715585 tox21-ror-cho-viability-p1 set2 4 49.0024986748 -20.6250551 1.5 -19.1250551 3.0654483358 0.8794930457 0.0008126224 0.28045098 1.97750245 0.43931904 3.08374758 2.76635606 6.13453323 -1.71464048 1.02229565 3.18660828 -0.15495447 -0.10966927 1.95609573 1.47405499 -6.42251917 -16.77087925 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.9719999999E-8 6.6449999999E-8 1.486E-7 3.3219999999E-7 7.429E-7 0.0000016609999999 0.000003714 0.0000083059999999 0.00001857 0.00004153 0.00009286 99-71-8 7453 144207614 A A 4-(Butan-2-yl)phenol Oc1ccc(cc1)C(C)CC Tox21_200416 -NCGC00257968-01 196715997 tox21-ror-cho-viability-p1 set2 4 -3.06468595 4.18713279 2.10757488 2.83395773 2.27187333 2.47546418 0.66323299 -1.87070989 1.85457374 4.27282686 0.39158961 0.02295418 0.59945391 0.19390121 1.38401137 1.229E-9 2.748E-9 6.144E-9 1.374E-8 3.072E-8 6.869E-8 1.5359999999E-7 3.435E-7 7.68E-7 0.000001717 0.00000384 0.000008587 0.0000192 0.00004293 0.000096 123-54-6 31261 144207612 AC 2,4-Pentanedione CC(=O)CC(C)=O Tox21_200414 -NCGC00258132-01 196716005 tox21-ror-cho-viability-p1 set2 4 0.45186945 2.66723374 3.42143622 1.88237721 0.94747715 -0.11051368 1.88175778 2.77573885 4.10262259 2.6227361 3.59760934 0.17775802 -2.39315844 3.79918385 3.53478837 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003707 0.0000082899999999 0.00001854 0.00004145 0.00009269 22113-86-6 193581 144207776 A A Ethylammonium nitrate CCN.[O-][N+](=O)O Tox21_200578 -NCGC00258575-01 196716406 tox21-ror-cho-viability-p1 set2 -1.1 27.2504920471 -81.3323110162 -0.600673364 -81.9329843802 3.5722481694 0.9898760964 9E-10 4.20969013 0.09075859 -2.91092552 0.54463601 1.81832319 -1.03592854 2.29669367 -3.34529646 -1.68225322 -0.08466072 -0.20454376 -8.03762917 -15.72781882 -66.22347478 -81.79704351 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.000003681 0.00000823 0.000018399999999 0.00004115 0.00009201 96-69-5 7308 144208220 A A 4,4'-Thiobis(6-tert-butyl-m-cresol) CC(C)(C)c2cc(Sc1cc(c(O)cc1C)C(C)(C)C)c(C)cc2O Tox21_201022 -NCGC00258401-01 196716404 tox21-ror-cho-viability-p1 set2 4 -2.66208407 -0.55683925 -0.48170847 -1.89957819 -2.15973819 0.29567622 0.05465796 -2.26333563 -0.36662296 0.03735007 -0.70609647 -1.51449769 -0.33051554 -2.4389518 -3.34366776 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.000001648 0.000003684 0.000008238 0.00001842 0.00004119 0.000092099999999 22071-15-4 3825 144208045 A A Ketoprofen CC(C(=O)O)c1cccc(c1)C(=O)c2ccccc2 Tox21_200847 -NCGC00356941-01 196724553 tox21-ror-cho-viability-p1 set3 4 1.7228934059 16.5356664679 -6.5356664679 10 0.2 0.3222125169 0.3473004295 -9.61305539 0.94466229 -0.08414563 2.16890105 -7.13789263 4.10505941 -4.68405744 3.62626561 3.86899829 -3.6376709 1.53479437 -1.09279651 5.82099125 5.19506515 6.70529006 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-15-9 31245 251919655 F 2-Methylpentanal CC(CCC)C=O Tox21_303754 -NCGC00260650-01 196724961 tox21-ror-cho-viability-p1 set3 4 0.004216325 7.71110548 -4.21110548 3.5 0.6 0.388189941 0.2860605996 -1.21989942 -4.3425879 1.03859187 -0.01295864 1.92928205 3.05249057 -1.41963174 2.75286217 1.53968771 6.17339711 8.57822649 3.35196248 -1.30563506 2.29943762 5.33053027 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49546 144210303 M M NTP Mix91 ER AR1 18-EQP Tox21_203105 -NCGC00260615-01 196724968 tox21-ror-cho-viability-p1 set3 4 -7.74478303 -6.29480567 -2.59588474 -6.73175338 -4.84708813 -5.07346223 -2.77810953 1.53059314 1.40415146 -4.43649838 0.68524742 -4.69223622 0.26869425 0.01306268 0.33118631 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49511 144210268 M M NTP Mix18 AR1 8-EQC Tox21_203070 -NCGC00255465-01 196700103 tox21-ror-cho-viability-p1 set1 4 0.1368542878 -8.976181384 -4.065739724 -13.041921108 0.8999999999 0.513240061 0.1839942615 -6.1707601 -3.10807414 -1.72144977 -11.51770937 -3.19738312 -10.76930628 -3.76668729 -9.39015652 -12.65681013 -14.54467335 -15.86826759 -12.84106065 -13.52038183 -8.05275361 -2.32427851 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 41814-78-2 39040 144212736 A A 2,7,8,9-Tricyclazole Cc1cccc2sc3nncn3c12 Tox21_302419 -NCGC00090686-07 196699285 tox21-ror-cho-viability-p1 set1 4 -0.50348263 2.04115464 -0.59438301 -0.38020416 -0.30782466 1.00382561 -0.52862488 1.0898854 -2.04836369 -2.18500028 -1.57914394 -0.68793531 46.18099576 0.8060567 -2.68576722 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00091253-05 196699684 tox21-ror-cho-viability-p1 set1 4 1.83816623 2.35896124 0.02475993 2.42659429 1.39872668 0.82398967 2.97224663 4.3900355 2.69039743 1.84466781 -2.07925803 3.24819183 6.08532877 3.25039723 2.60869826 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00253935-01 196699708 tox21-ror-cho-viability-p1 set1 4 3.8531557681 8.2720640039 -1.2720640039 7 0.9999999999 0.8921709042 0.0004828994 -1.05030418 -0.80261441 0.18952094 -1.14694676 -3.14338667 -0.27696722 -1.43918868 -0.10518745 -0.04221463 0.38740731 4.24126683 3.63567523 6.50507037 4.60182977 7.9194504 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 872-50-4 13387 144210417 A A N-Methyl-2-pyrrolidone O=C1CCCN1C Tox21_300097 -NCGC00255914-01 196700101 tox21-ror-cho-viability-p1 set1 4 0.0096885416 9.0472446839 -6.0472446839 3 1.4641 0.770538561 0.0142201388 -6.28937057 -2.48521633 -5.75399721 -0.01263071 2.24786143 3.75099459 2.27637129 0.59928161 2.70710858 0.49678168 1.98807789 1.79116147 3.6767945 5.23458602 4.6227552 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-01-6 3092 144211637 A A Zoalene Cc1c(cc(cc1[N+](=O)[O-])[N+]([O-])=O)C(N)=O Tox21_301320 -NCGC00256084-01 196700115 tox21-ror-cho-viability-p1 set1 4 -4.03461686 -4.65362462 -5.27342015 -2.86379779 -3.95529836 -0.64911441 -6.01556003 0.01226044 -7.35463615 1.31229072 -3.99922527 -4.37627945 0.62775974 -0.5635352 -0.39564965 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5988-91-0 110747 144211548 B F 3,7-Dimethyloctanal CC(C)CCCC(C)CC=O Tox21_301231 -NCGC00256294-01 196700522 tox21-ror-cho-viability-p1 set1 -2.2 24.3365162115 -31.5592589807 -2.5 -34.0592589807 2.1876167061 0.9548753139 0.0000047954 -4.00353726 0.08320418 -4.68899398 -4.2634048 -1.81967878 -3.19517405 -6.05995488 -2.5779073 0.10347118 0.15350932 0.13597922 -4.69105027 -15.59445159 -24.8611753 -33.38820276 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3734-67-6 6507024 144211842 Ac C.I. Acid Red 1 [Na+].[Na+].[O-]S(=O)(=O)c3cc2cc(c(\N=N/c1ccccc1)c(O)c2c(c3)NC(C)=O)S([O-])(=O)=O Tox21_301525 -NCGC00255657-01 196700526 tox21-ror-cho-viability-p1 set1 4 1.15667309 -0.4724988 -0.80762729 0.08510995 0.53683712 2.72943048 0.43072605 4.53076941 1.55486669 -0.70242111 1.85100758 2.44254993 0.65694214 0.1886752 -0.22124475 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4845-50-5 96170 144211723 A A 1,4-Dioxane-2,3-diol OC1OCCOC1O Tox21_301406 -NCGC00259728-01 196708395 tox21-ror-cho-viability-p1 set2 4 54.0950609677 -23.892604704 -0.5 -24.392604704 1.55794881 0.6648882649 0.0557697798 2.44200593 0.15299257 -1.40482232 -6.4894147 4.0954165 -2.99587353 -2.97653282 -5.47194746 2.15936968 4.05492554 2.40811023 -4.83255168 -4.08599473 -8.82069419 -17.41050392 1.173E-9 2.622E-9 5.863E-9 1.311E-8 2.931E-8 6.5549999999E-8 1.466E-7 3.277E-7 7.329E-7 0.0000016389999999 0.000003664 0.000008194 0.00001832 0.000040969999999 0.00009161 541-73-1 10943 144209377 AC F 1,3-Dichlorobenzene Clc1cccc(Cl)c1 Tox21_202179 -NCGC00259464-01 196709634 tox21-ror-cho-viability-p1 set2 4 13.6297781236 -21.2484807279 -2.5 -23.7484807279 0.9999999999 0.5849764141 0.1078555125 -1.52981582 -5.49306491 -1.40680931 -6.69309458 1.96304898 1.85561401 -4.77421556 -5.24063156 -5.31091051 -5.34707411 -5.37851534 -1.75682535 -28.12373394 -12.30647808 -20.16476917 1.1759999999E-9 2.63E-9 5.8799999999E-9 1.315E-8 2.94E-8 6.574E-8 1.4699999999E-7 3.2869999999E-7 7.35E-7 0.0000016439999999 0.0000036749999999 0.000008218 0.000018379999999 0.00004109 0.00009188 88671-89-0 6336 144209113 A A Myclobutanil Clc1ccc(cc1)C(CCCC)(Cn2cncn2)C#N Tox21_201915 -NCGC00259636-01 196709637 tox21-ror-cho-viability-p1 set2 4 4.29957737 1.64581533 3.8353433 1.56715296 -0.30680481 -0.78139082 0.52430909 -0.29786093 -2.14517867 2.48972801 -0.87149458 2.86612587 -2.07284271 5.21790299 2.04558805 1.1699999999E-9 2.6159999999E-9 5.849E-9 1.3079999999E-8 2.925E-8 6.539E-8 1.462E-7 3.27E-7 7.311E-7 0.000001635 0.000003656 0.0000081739999999 0.00001828 0.000040869999999 0.000091389999999 97-59-6 204 144209285 A A Allantoin O=C1NC(=O)NC1NC(=O)N Tox21_202087 -NCGC00259939-01 196708412 tox21-ror-cho-viability-p1 set2 4 1.96848719 0.46997015 0.55078677 4.46508449 1.93180249 1.90605704 5.14518031 -0.1717501 2.24400803 3.1196722 4.97711369 7.82611323 3.77112628 4.76422664 2.75497572 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 78-69-3 6548 144209588 A A 3,7-Dimethyl-3-octanol CCC(C)(O)CCCC(C)C Tox21_202390 -NCGC00259256-01 196708394 tox21-ror-cho-viability-p1 set2 4 0.61776777 2.12488097 4.3030023 1.97942598 0.62670699 -1.21294774 2.82338274 -0.42514645 4.5697188 0.69804548 -2.34358711 3.69925136 1.08548747 1.86026788 -1.71473655 1.195E-9 2.671E-9 5.973E-9 1.336E-8 2.987E-8 6.678E-8 1.493E-7 3.3389999999E-7 7.467E-7 0.0000016699999999 0.000003733 0.000008348 0.00001867 0.00004174 0.000093329999999 95-94-3 7270 144208905 A Ac 1,2,4,5-Tetrachlorobenzene Clc1cc(Cl)c(Cl)cc1Cl Tox21_201707 -NCGC00258989-01 196708411 tox21-ror-cho-viability-p1 set2 4 43.1451273779 -10.688215264 0 -10.688215264 2.7202212143 0.4881178548 0.1908378637 0.67578265 -9.25408697 1.8571695 1.04981934 -0.21729837 0.33173868 0.70916902 1.69514813 -0.4857255 -0.30083071 -0.08495854 -0.1984772 0.5590413 -5.41204142 -9.32351272 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.3529999999E-7 0.0000016439999999 0.0000036769999999 0.000008221 0.000018379999999 0.00004111 0.00009192 330-54-1 3120 144208636 A A Diuron Clc1ccc(NC(=O)N(C)C)cc1Cl Tox21_201438 -NCGC00259676-01 196709227 tox21-ror-cho-viability-p1 set2 4 5.01885627 0.76071446 3.13489779 3.32269374 4.38742214 -0.91687312 2.88728077 -0.69500867 1.06742418 -7.74469522 -0.72388115 -0.32472506 4.11088829 0.79893291 3.47364378 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009203 50-81-7 54670067 144209325 A A L-Ascorbic acid OC=1C(=O)O[C@H]([C@@H](O)CO)C=1O Tox21_202127 -NCGC00259243-01 196709232 tox21-ror-cho-viability-p1 set2 4 77.7421153793 11.3062528879 -1.3062528879 10 4.9549173134 0.7776451966 0.012910199 -0.0182223 -4.00521074 -2.68278912 -1.73992071 -0.41968697 -0.99143901 0.33740844 -0.57075529 -0.99858108 -1.17003405 -1.08328834 -0.28806961 -0.63559388 -1.17556308 6.84317116 1.19E-9 2.6619999999E-9 5.951E-9 1.331E-8 2.976E-8 6.654E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.00000372 0.000008317 0.0000186 0.00004159 0.000092989999999 2867-47-2 17869 144208892 AC D 2-(Dimethylamino)ethyl methacrylate CN(C)CCOC(=O)C(=C)C Tox21_201694 -NCGC00259880-01 196709233 tox21-ror-cho-viability-p1 set2 4 69.4274967035 -13.331686044 1 -12.331686044 4.9549173134 0.9180941418 0.0001219516 -0.57324964 0.94179166 0.87662294 0.44563118 -0.50064303 1.56524293 1.19588011 -0.07494638 1.60418526 -0.17723 1.22369289 1.58704426 1.14147377 0.73612227 -9.85973837 1.1919999999E-9 2.6649999999E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.662E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004164 0.000093099999999 107534-96-3 86102 144209529 A A Tebuconazole OC(Cn1cncn1)(CCc2ccc(Cl)cc2)C(C)(C)C Tox21_202331 -NCGC00259087-01 196709237 tox21-ror-cho-viability-p1 set2 4 -0.52832281 -0.42179489 0.10808506 -0.66979125 -0.2125478 -0.45993927 -0.4436331 -0.50814432 -0.9031694 -3.65184164 -1.84215079 -2.21782551 -0.60166149 -0.42964349 4.15931301 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003668 0.000008201 0.00001834 0.000041009999999 0.00009169 123-18-2 61057 144208735 AC Fc 2,6,8-Trimethyl-4-nonanone CC(C)CC(C)CC(=O)CC(C)C Tox21_201537 -NCGC00259157-01 196709239 tox21-ror-cho-viability-p1 set2 4 2.45397818 -5.1392756 -0.2017304 -0.29212754 -3.88942664 -3.20688816 1.22279591 -3.99403674 -4.6501571 1.83288387 -4.04857277 -4.33954943 -4.02950464 -4.0075565 -1.47202742 1.22E-9 2.729E-9 6.102E-9 1.3639999999E-8 3.051E-8 6.822E-8 1.525E-7 3.411E-7 7.627E-7 0.000001705 0.000003813 0.0000085269999999 0.00001907 0.00004264 0.00009534 108-59-8 7943 144208806 B Ac Dimethyl malonate O=C(OC)CC(=O)OC Tox21_201608 -NCGC00259029-01 196709242 tox21-ror-cho-viability-p1 set2 4 38.7277300935 9.3595529519 -3.3595529519 6 0.5999999999 0.6202393 0.0855599805 -3.76006957 -4.26843286 -6.54962746 -3.0226315 0.18061505 -2.74833606 -1.35915556 -2.26226991 -3.03754599 -3.50628764 -0.9206992 -0.27716836 0.34153529 0.05723259 3.61469827 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.309E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008272 0.0000185 0.00004136 0.00009248 91-22-5 7047 144208676 A Ac Quinoline c1cccc2cccnc12 Tox21_201478 -NCGC00258897-01 196709247 tox21-ror-cho-viability-p1 set2 4 1.75126275 1.99396597 4.42752662 1.01853419 3.46171068 0.10068626 3.13433264 1.25456479 1.65602253 2.36507512 3.80216024 1.63211246 5.39706505 3.3238297 1.2366947 1.159E-9 2.592E-9 5.795E-9 1.2959999999E-8 2.8969999999E-8 6.479E-8 1.449E-7 3.239E-7 7.244E-7 0.00000162 0.000003622 0.000008098 0.000018109999999 0.00004049 0.00009054 1459-93-4 15088 144208543 A A Dimethyl isophthalate COC(=O)c1cccc(c1)C(=O)OC Tox21_201345 -NCGC00258352-01 196702018 tox21-ror-cho-viability-p1 set1 4 3.00528833 2.78480443 1.24163739 5.39934506 -2.35744235 -2.67671033 1.34705352 5.05761999 0.37260179 6.93912723 -0.05984987 3.55100462 -1.6904704 7.31606082 10.29795362 1.182E-9 2.6419999999E-9 5.909E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.386E-7 0.0000016519999999 0.000003693 0.000008258 0.00001846 0.00004129 0.000092319999999 7727-21-1 24412 144207996 Potassium persulfate [K+].[K+].O=S(=O)([O-])OOS([O-])(=O)=O Tox21_200798 -NCGC00258363-01 196702004 tox21-ror-cho-viability-p1 set1 -1.1 19.4885590262 -112.579390897 3.5499509699 -109.0294399271 1.2221 0.9663913969 9.223E-7 1.48134001 4.25545953 4.57901091 4.61646033 1.33914875 2.87520823 7.6865418 0.81036757 0.55097803 1.36413157 -14.70726125 -29.08427662 -37.46370421 -91.3144388 -88.33255356 1.188E-9 2.656E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.639E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.000003712 0.000008299 0.00001856 0.0000415 0.00009279 654057-97-3 16218822 144208007 A A Trihexyltetradecylphosphonium bromide [Br-].CCCCCC[P+](CCCCCC)(CCCCCC)CCCCCCCCCCCCCC Tox21_200809 -NCGC00258029-01 196702007 tox21-ror-cho-viability-p1 set1 4 0.03169395 2.7460104 -1.13845235 3.62777671 2.19806717 0.50414236 -0.03395628 -0.30564769 0.17686007 2.22507165 1.94489276 1.36140144 3.23781611 1.11906894 4.86474202 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2421-28-5 75498 144207673 A B Benzophenonetetracarboxylic dianhydride O=C1OC(=O)c2cc(ccc12)C(=O)c3ccc4C(=O)OC(=O)c4c3 Tox21_200475 -NCGC00258287-01 196702011 tox21-ror-cho-viability-p1 set1 4 -0.03985587 3.04981537 -9.06372107 10.33844737 0.13658313 3.35960182 6.34224423 -5.29136167 1.72920257 4.74738744 -0.07086406 1.24840197 0.26911019 6.88046037 2.38828417 1.2249999999E-9 2.739E-9 6.125E-9 1.37E-8 3.063E-8 6.848E-8 1.531E-7 3.4239999999E-7 7.657E-7 0.0000017119999999 0.000003828 0.000008561 0.00001914 0.0000428 0.000095709999999 685-91-6 12703 144207931 A A Diethylacetamide CCN(CC)C(C)=O Tox21_200733 -NCGC00258206-01 196702415 tox21-ror-cho-viability-p1 set1 4 0.0524941889 -5.8476092319 -1.5 -7.3476092319 1.21 0.4934782299 0.2030866973 -3.80805947 -3.25120186 3.27351998 -3.32647802 -3.63251504 -2.73213111 -9.65503315 -5.76946013 -5.1169101 -8.32744678 -10.28967436 -5.23355446 -9.52378501 -4.67932583 -3.80072866 1.144E-9 2.5569999999E-9 5.7179999999E-9 1.278E-8 2.859E-8 6.392E-8 1.429E-7 3.196E-7 7.147E-7 0.000001598 0.000003573 0.00000799 0.00001787 0.00003995 0.00008934 111-66-0 8125 144207850 FNS 1-Octene C=CCCCCCC Tox21_200652 -NCGC00257884-01 196702416 tox21-ror-cho-viability-p1 set1 -2.4 12.1351581334 -18.571672728 -3.923117372 -22.4947901 0.7999999999 0.7581219177 0.0172232153 -5.86336204 -1.9683724 -5.65177096 -1.60259781 -5.56477359 -7.00796447 -3.71808067 -2.42847909 -6.21221793 -3.64854905 -12.15332589 -13.58068254 -10.7095762 -22.07899175 -15.12877896 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.468E-7 3.284E-7 7.3419999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.000018359999999 0.00004104 0.000091779999999 556-08-1 19266 144207528 A A 4-Acetamidobenzoic acid O=C(C)Nc1ccc(cc1)C(=O)O Tox21_200330 -NCGC00258604-01 196702425 tox21-ror-cho-viability-p1 set1 4 0.0076958822 -8.1946772599 8 -0.1946772599 0.8999999999 0.4551364031 0.2216842667 7.14668663 4.98780053 4.85255543 3.89419388 -1.32909179 4.69027293 -1.56512603 1.45088064 -6.41223105 3.88504773 1.08258104 1.49130891 -0.2979336 -1.18381221 -0.06678013 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.00001844 0.000041219999999 0.00009218 40876-98-0 23685849 144208249 D Sodium malate [Na+].O=C(OCC)C([O-])CC(=O)OCC Tox21_201051 -NCGC00257861-01 196702427 tox21-ror-cho-viability-p1 set1 4 -1.84126521 -0.71226248 -1.74827648 -0.99772634 -4.40465136 0.4552345 5.02513368 -0.71817944 0.18955083 -1.20566622 -1.12592775 -3.60039475 -4.50383733 7.37378428 -4.26351188 1.1609999999E-9 2.595E-9 5.803E-9 1.298E-8 2.901E-8 6.488E-8 1.451E-7 3.244E-7 7.253E-7 0.000001622 0.0000036269999999 0.0000081099999999 0.000018129999999 0.000040549999999 0.00009067 2439-35-2 17111 144207505 A A 2-(Dimethylamino)ethyl acrylate CN(C)CCOC(=O)C=C Tox21_200307 -NCGC00257924-01 196702437 tox21-ror-cho-viability-p1 set1 4 0.0685896219 -10.800331776 -5.666436524 -16.4667683 0.8999999999 0.576420557 0.130016079 -9.03391751 -10.7897386 -8.79702448 -3.05536377 -7.55070922 -8.12913071 -17.01643333 -18.71162982 -12.80250628 -13.9450032 -14.52462816 -15.38626176 -19.55564025 -16.1262039 -11.22389765 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.000003688 0.000008248 0.00001844 0.00004124 0.000092209999999 87-60-5 6894 144207568 A A 3-Chloro-2-methylaniline Nc1cccc(Cl)c1C Tox21_200370 -NCGC00091902-08 196703247 tox21-ror-cho-viability-p1 set1 4 -2.63765654 1.86013721 -1.22306246 -0.92448729 2.76981552 0.60017764 -2.79264566 -0.91265982 0.66471002 -3.35394527 0.91476657 13.16523067 -1.04657961 -2.67655249 -3.30355574 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00260079-01 196703667 tox21-ror-cho-viability-p1 set1 -3 69.0781761974 -93.6392976094 0.8652798489 -92.7740177605 4.9549173134 0.9663880245 9.234E-7 5.7329017 4.44614166 -2.36639363 0.01424702 -0.14736762 -1.38786919 -3.67891171 -1.01412538 5.63249165 -1.02271757 2.82857175 -3.07358258 -1.7322202 1.41510343 -75.61429981 1.187E-9 2.653E-9 5.9329999999E-9 1.327E-8 2.966E-8 6.633E-8 1.4829999999E-7 3.317E-7 7.416E-7 0.0000016579999999 0.000003708 0.000008291 0.00001854 0.00004146 0.0000927 10026-13-8 24819 144209728 Phosphorus pentachloride ClP(Cl)(Cl)(Cl)Cl Tox21_202530 -NCGC00256111-01 196700376 tox21-ror-cho-viability-p1 set1 -1.1 1.0870722482 -87.958462666 -0.8340444229 -88.7925070889 1.8851180601 0.9871406018 3.6E-9 -5.81153596 -0.91987817 3.24185567 -2.3238735 3.65104313 -6.11705709 -3.43638473 -10.21731473 -19.18615104 -64.45885828 -89.02737312 -85.92681161 -87.5475999 -89.6894011 -83.83647464 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13331-52-7 16683072 144212112 F A (Acryloyloxy)(tributyl)stannane CCCC[Sn](CCCC)(OC(=O)C=C)CCCC Tox21_301795 -NCGC00091088-05 196717651 tox21-ror-cho-viability-p1 set2 4 -8.64914891 -6.70923169 -9.03544218 -8.43737735 -2.71987131 -6.00777082 -4.46088847 -3.24506233 -6.91727904 1.22762701 3.1039045 -9.31892545 -9.25611635 -8.14979143 4.1157917 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00091902-08 196717250 tox21-ror-cho-viability-p1 set2 4 0.92610158 0.44043294 0.3290437 -1.58486688 2.90710427 -1.31353351 -0.19833323 -1.85776374 3.74985157 5.27998238 0.92398037 -0.57331935 1.46160165 0.26361275 -1.65257093 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00160677-02 196717255 tox21-ror-cho-viability-p1 set2 4 0.35915467 -5.84415165 -5.97731235 -4.49902731 -2.97742679 -4.22230727 1.31720183 -0.31258151 -4.01704551 -9.03901788 -2.4522454 0.63043974 -4.65571209 -7.09918512 -3.89128183 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 968-61-6 68943 170466198 A Butinoline OC(C#CCN1CCCC1)(c2ccccc2)c3ccccc3 Tox21_111980_1 -NCGC00167576-02 196717260 tox21-ror-cho-viability-p1 set2 4 0.2113168243 6.4502152919 -5.4502152919 1 4.9549173134 0.7574687761 0.0176330081 -3.29359353 -4.72586952 -10.37517941 -4.18957209 -4.69450104 -7.68484423 -3.15564497 -4.50136496 1.02091539 0.37933895 1.21918493 0.78830837 0.42949711 1.43330393 -0.10209265 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33237-74-0 71413 170465842 A Aprindine hydrochloride Cl.CCN(CC)CCCN(c1ccccc1)C2Cc3ccccc3C2 Tox21_112569_1 -NCGC00163724-03 196717653 tox21-ror-cho-viability-p1 set2 4 0.4327712569 7.1268635759 -5.6268635759 1.5 2.4063783767 0.6522830235 0.0748795046 -4.06274715 -4.09599854 -12.18905298 -7.37821766 -3.35048545 -1.25510561 -7.22028206 -2.61422907 -0.16123091 1.60815825 2.57122425 3.11581616 0.8894018 0.10590103 -4.95804359 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00016306-08 196717655 tox21-ror-cho-viability-p1 set2 4 1.37660659 0.26126542 0.24141726 4.08988694 7.69177513 5.71442178 7.53092178 5.22807497 0.41525481 -1.5236209 -0.97482352 0.78620606 0.18572382 2.24012211 3.82407738 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68-41-7 6234 170465249 Z D-Cycloserine N[C@@H]1CONC1=O Tox21_110361_1 -NCGC00163724-03 196717661 tox21-ror-cho-viability-p1 set2 4 61.130564862 -18.350547272 -1 -19.350547272 2.7867712143 0.6898821652 0.043155374 -2.31503878 -5.81180332 -0.065449 -0.10438523 1.44293294 -4.91165315 2.30178939 1.10029894 0.43435059 -5.078396 -0.51946873 -1.35450292 -1.35814749 -5.53012989 -14.87545606 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00167744-02 196717665 tox21-ror-cho-viability-p1 set2 4 0.3757803576 7.4288916759 -4.4288916759 3 1.2221 0.7045148717 0.0365765997 -7.85740973 -4.36664141 -5.76082681 1.09056692 -2.75932074 -6.04159696 -5.48354617 -0.06820065 -0.98236387 -0.20954324 2.77949222 2.99241416 3.29293369 1.99740312 3.16772233 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3575-80-2 15387 170466288 A Methylperone Fc1ccc(cc1)C(=O)CCCN2CCC(C)CC2 Tox21_112583_1 -NCGC00254655-01 196714771 tox21-ror-cho-viability-p1 set2 4 0.9941635 -5.12843602 1.50002346 1.54593262 -4.94545195 0.91182335 -12.94429549 0.13190499 0.50421533 1.38805249 -4.5837964 -5.9031331 -3.76096071 -3.72912151 1.50305494 2.1779999999E-9 4.87E-9 1.089E-8 2.435E-8 5.444E-8 1.2169999999E-7 2.7219999999E-7 6.087E-7 0.000001361 0.000003044 0.000006806 0.00001522 0.00003403 0.00007609 0.0001701 504-63-2 10442 144211067 A A 1,3-Propanediol OCCCO Tox21_300750 -NCGC00254231-01 196714351 tox21-ror-cho-viability-p1 set2 4 2.3099880175 6.2716067999 -0.7716067999 5.5 3.1319983358 0.6462939924 0.0802745414 -0.70143081 -1.93723121 0.05877276 -2.726339 -1.54992761 0.89965833 -0.96907508 0.86940369 -1.13087032 0.03196861 -1.39122282 1.235765 8.24242523 2.53747394 1.43596828 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 344930-95-6 9872438 144210567 A A SSR69071 CC(C)c1cc(cc5c1C(=O)N(COC3=CC(=O)N4C=CC=C(OCCN2CCCCC2)C4=N3)S5(=O)=O)OC Tox21_300247 -NCGC00094532-06 196714355 tox21-ror-cho-viability-p1 set2 4 0.21020914 -1.05945199 -3.3137192 0.65374324 1.27918486 1.12105531 0.51753451 0.5479768 0.50183372 0.63614761 1.41972093 3.01963416 1.35408615 1.59444255 -0.72802183 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00254215-01 196714365 tox21-ror-cho-viability-p1 set2 4 0.99792166 -1.48337218 -2.40895625 -2.0616793 -2.02385633 -0.80065352 -1.821409 -1.54329716 -0.22117763 0.26509542 1.31610973 0.96218622 6.87015553 0.70929137 -0.07026723 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-76-7 7720 144210339 A Ac 2-Ethyl-1-hexanol CCC(CCCC)CO Tox21_300019 -NCGC00255095-01 196714775 tox21-ror-cho-viability-p1 set2 4 -1.63681677 -0.7672712 -1.30142899 -0.04324196 1.03992019 -0.46617955 0.92892239 1.53515902 0.41911729 0.70505268 1.2403112 4.79075405 6.016091 6.2100546 6.87586961 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18479-51-1 86749 144211515 A A 3,7-Dimethyloct-6-en-3-ol CCC(C)(O)CC\C=C(\C)C Tox21_301198 -NCGC00256155-01 196700953 tox21-ror-cho-viability-p1 set1 4 -0.41847073 0.53117712 -0.5218016 0.17166573 2.47783036 1.06438858 -0.26654888 0.44255921 -0.92043827 4.03006847 -0.89696046 1.7107007 0.77881917 -1.65440829 -2.49289841 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4221-98-1 442482 144212618 F Fns (R)-alpha-Phellandrene CC=1C=C[C@H](CC=1)C(C)C Tox21_302301 -NCGC00255570-01 196700948 tox21-ror-cho-viability-p1 set1 4 43.2771256911 -15.9552909439 0.5 -15.4552909439 3.0654483358 0.9096115709 0.000196926 0.28296381 1.32117828 0.13066154 0.2886198 1.1397612 -0.17858158 1.18953293 -3.17381258 -0.08069405 -0.98871949 1.94528092 1.82791625 0.10175476 -7.1790812 -14.12940912 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33228-45-4 36382 144212329 A A 4-Hexylaniline Nc1ccc(CCCCCC)cc1 Tox21_302012 -NCGC00256271-01 196701362 tox21-ror-cho-viability-p1 set1 4 0.872922 0.29114604 -1.05846597 -1.53780419 0.20871626 -1.12191969 1.87186121 -0.08921434 -1.17054929 -1.76476524 0.17854255 0.85529489 1.91731354 2.40637533 6.17517859 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1124-05-6 70755 144212128 A Ac 1,4-Dichloro-2,5-dimethylbenzene Clc1cc(C)c(Cl)cc1C Tox21_301811 -NCGC00255727-01 196701365 tox21-ror-cho-viability-p1 set1 4 27.3060203028 15.349244484 -4.349244484 11 0.5 0.6078675573 0.0919965043 -3.38909012 -4.55791687 -5.20628091 -3.8128843 -4.60952801 -7.79103707 -2.00808032 3.15990645 -1.83781395 -1.77515687 0.01578768 1.63470689 -3.47193851 5.52802166 8.29624233 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7491-74-9 4843 144212307 A A Piracetam O=C1CCCN1CC(=O)N Tox21_301990 -NCGC00256283-01 196701370 tox21-ror-cho-viability-p1 set1 4 -1.45827114 -4.60887165 -7.04855406 0.74691979 0.15500962 -6.5414438 -5.29091445 -4.93715796 -0.62080499 0.74345921 -0.5365431 1.30904635 -8.41408856 -0.83486855 0.00036818 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7473-98-5 81984 144211992 A A 2-Hydroxy-2-methylpropiophenone O=C(c1ccccc1)C(C)(C)O Tox21_301675 -NCGC00256303-01 196701373 tox21-ror-cho-viability-p1 set1 4 0.04179105 -4.17766812 -6.31860629 0.24959026 -3.05097835 -2.6909484 -7.37819687 0.08458749 -1.07670674 -1.8858079 -5.09393392 -3.38770128 -2.03384926 -0.01054349 -0.25306988 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 41532-84-7 170530 144212276 A A 1,1,2-Trimethyl-1H-benzo[e]indole CC3(C)c2c(ccc1ccccc12)N=C3C Tox21_301959 -NCGC00254181-01 196698897 tox21-ror-cho-viability-p1 set1 4 9.6885416101 4.974004364 0.025995636 5 4.4494702849 0.4582876912 0.2196400519 1.27702121 -0.11778959 3.85782701 0.65102299 -3.48055402 0.19635452 -3.72833697 -0.47107375 0.9371303 0.22050269 -0.82231763 1.45806906 7.57976743 0.97159881 6.25899859 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-13-6 1176 144210355 A Urea NC(N)=O Tox21_300035 -NCGC00183839-01 196698068 tox21-ror-cho-viability-p1 set1 4 1.47202757 0 2.95107674 -0.65747469 1.14862982 2.15596002 1.80287887 1.86461663 1.58761671 2.01852473 1.57300312 2.7356613 1.5989948 3.50845113 -0.41505722 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 156137-99-4 5311398 144206855 A C Rapacuronium bromide [Br-].C=CC[N+]1(CCCCC1)[C@H]6C[C@@H]5[C@](C)(CC[C@H]2[C@H]5CC[C@H]3C[C@H](OC(C)=O)[C@H](C[C@]23C)N4CCCCC4)[C@H]6OC(=O)CC Tox21_113304 -NCGC00161643-05 196698481 tox21-ror-cho-viability-p1 set1 4 2.01747671 -3.20426567 -3.19877024 1.19064985 -6.24898824 -3.82642058 -3.39151546 -1.93183871 -9.95903416 0.25299198 -4.30944756 -3.0992431 -0.54304978 -1.47103296 -1.91083443 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 518-47-8 9885981 170464991 A Fluorescein sodium [Na+].[Na+].[O-]c4cc5Oc1cc([O-])ccc1C3(OC(=O)c2ccccc23)c5cc4 Tox21_111592_1 -NCGC00090962-05 196698487 tox21-ror-cho-viability-p1 set1 4 60.7577547203 -18.409838836 -1 -19.409838836 1.9673362061 0.9321313355 0.0000447242 -0.54617725 -1.63614766 -1.61598078 -0.37935191 0.3566656 0.21296735 0.52165402 -2.35809413 -0.96872383 -0.60770725 -2.3934 -0.71568869 -3.63236859 -5.91009836 -14.50819903 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00254572-01 196699294 tox21-ror-cho-viability-p1 set1 4 -4.13142661 -4.96269053 -5.89941062 1.02314081 -0.56652653 0.63034348 -3.78270373 2.5632294 1.06160717 -6.56945473 0.92954784 0.53561678 -5.41451964 0.10158225 3.64013317 1.088E-9 2.4339999999E-9 5.441E-9 1.2169999999E-8 2.721E-8 6.084E-8 1.36E-7 3.042E-7 6.802E-7 0.000001521 0.0000034009999999 0.000007605 0.000017 0.00003802 0.00008502 102-87-4 7624 144210981 FNS Tridodecylamine CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC Tox21_300664 -NCGC00254463-01 196699303 tox21-ror-cho-viability-p1 set1 4 -0.15685749 0.00032239 -1.76537908 -3.16459676 6.26207808 0.50371374 1.86111929 1.74051374 -0.88169243 0.31237289 1.67622242 -1.2733945 -2.27812012 0.48930487 6.55852284 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 100-97-0 4101 144210820 A Ac Methenamine C1N3CN2CN(CN1C2)C3 Tox21_300502 -NCGC00091499-05 196711307 tox21-ror-cho-viability-p1 set2 4 5.4482673282 -9.7637566039 -1 -10.7637566039 4.9549173134 0.5234900887 0.1746061478 -0.78209037 0 0.51355878 1.22827177 -0.63727456 1.36952326 -8.05145997 -7.46415273 2.21323594 -2.31608743 0.97913156 -15.21979717 -9.50539532 -7.01831093 20.56938975 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00091080-03 196710897 tox21-ror-cho-viability-p1 set2 4 72.3646948668 23.376892224 -3.376892224 20 4.9549173134 0.6481605964 0.0653871625 -1.51417679 -3.47414773 -1.65167804 0.14658773 -1.81571582 -2.36594974 -0.04569909 -2.06554777 -1.92102348 -0.80114369 -5.24863814 -9.10837931 -5.05993341 -10.73074352 14.81896238 1.121E-9 2.506E-9 5.6039999999E-9 1.2529999999E-8 2.802E-8 6.265E-8 1.401E-7 3.133E-7 7.005E-7 0.000001566 0.0000035019999999 0.000007831 0.00001751 0.00003916 0.00008756 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00257534-01 196710913 tox21-ror-cho-viability-p1 set2 4 -2.60483333 -0.95552332 0.3640499 -3.87282038 -3.94670178 -2.1345376 0.51231176 -1.49452498 -2.76175638 -2.15924329 -4.00085391 -1.5090925 1.26651362 -2.7495598 -1.32056905 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-63-7 31264 144211616 Fns Paraldehyde CC1OC(C)OC(C)O1 Tox21_301299 -NCGC00255894-01 196710914 tox21-ror-cho-viability-p1 set2 4 3.81367523 5.46672093 0.4821847 -1.84412191 1.25083971 5.25591654 -0.98491002 -1.30986906 0.55785422 -3.68826305 -0.52755773 -1.11287277 0.00795279 2.25558466 5.68879804 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 954-21-2 70381 144212311 A A N-methyl-alpha-phenylbenzeneacetamide O=C(NC)C(c1ccccc1)c2ccccc2 Tox21_301994 -NCGC00260464-01 196711313 tox21-ror-cho-viability-p1 set2 2.4 2.7591162823 24.9264083159 -0.9264083159 24 3.0654483358 0.9003401512 0.0003182572 -0.39388493 -1.34220978 -1.97630739 -1.10527304 0.74893247 -1.55838897 -1.68416355 -0.65161683 -1.3271509 -2.02200693 -1.30043366 0.83327922 2.02615399 2.17541874 25.60651048 6.081E-11 1.36E-10 3.041E-10 6.799E-10 1.52E-9 3.4E-9 7.602E-9 1.7E-8 3.801E-8 8.499E-8 1.8999999999E-7 4.2499999999E-7 9.502E-7 0.000002125 0.000004751 4584-57-0 5377793 144210116 A A 1,4-Dimethylamino-4-nitrostilbene CN(C)c1ccc(cc1)\C=C\c2ccc(cc2)[N+]([O-])=O Tox21_202918 -NCGC00260589-01 196711330 tox21-ror-cho-viability-p1 set2 4 0.1059092946 -7.8827901359 -1.5 -9.3827901359 4.9549173134 0.695444291 0.0495550204 0.28337965 -0.35538721 0.41911563 -7.19759851 -0.82919807 -2.53455867 -1.52343955 -9.35494276 -12.3004763 -14.06899178 -7.11498628 -9.47735417 -6.89456711 -6.89667004 2.03258018 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49485 144210242 M M NTP Mix46 CT1 3-EQP Tox21_203044 -NCGC00160683-03 196726294 tox21-ror-cho-viability-p1 set3 4 2.85823815 0.0537205 -0.60777769 1.68198753 -1.02730494 0.82717608 1.58351691 2.62663262 -0.24588478 1.10307465 8.89271552 -1.13577678 0.85369058 -0.0742846 2.42788513 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 19368-18-4 71895 170466077 A Ftaxilide O=C(Nc1c(C)cccc1C)c2ccccc2C(=O)O Tox21_111986_1 -NCGC00016382-07 196725888 tox21-ror-cho-viability-p1 set3 -2.2 26.6032120037 -66.2207641352 2.071039708 -64.1497244272 2.1876167061 0.9546209714 0.0000049362 1.3495229 2.7573568 -2.15378872 4.97556516 -0.99905627 -0.52208844 5.12522189 0.09545929 3.6512147 9.60214188 0.22913391 -2.30076601 -4.40478293 -21.54441174 -48.97706396 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 126-27-2 4621 170465643 A Oxethazaine CC(C)(Cc1ccccc1)N(C)C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc2ccccc2 Tox21_110407_1 -NCGC00181350-03 196726280 tox21-ror-cho-viability-p1 set3 4 2.65053834 3.01597406 -3.42402937 2.24297584 -0.62251766 -0.0389702 1.57421741 4.8192486 1.68240575 -21.13504049 -2.44004569 -0.30516959 -0.62443296 10.3597073 2.21134284 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 212141-54-3 151194 170466113 A Vatalanib Clc1ccc(cc1)Nc4nnc(Cc2ccncc2)c3ccccc34 Tox21_112808_1 -NCGC00183845-01 196726285 tox21-ror-cho-viability-p1 set3 4 0.0007304824 21.467957432 -19.967957432 1.5 0.5 0.5811049034 0.1111487392 -14.97329786 -0.87333492 -14.71818135 -3.53399417 -4.36143331 -1.02899423 -1.87496984 1.31935558 -0.44353733 -0.13542366 -2.0289989 -1.35294003 5.65253977 2.35196403 0.77554034 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 103922-33-4 5282450 144206830 A A Pibutidine NC=3C(=O)C(=O)C=3NC\C=C/COc2cc(CN1CCCCC1)ccn2 Tox21_113279 -NCGC00249900-01 196726300 tox21-ror-cho-viability-p1 set3 4 -2.58004622 -1.67437481 -3.52993885 -0.1897119 9.38650403 2.6561999 -0.87560196 11.69831835 11.70671256 0.64238175 -4.89546114 9.73427348 0.89344044 -1.15142409 10.58979124 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71574-35-1 10330781 170465551 A A Glyceryl 1-(2-aminobenzoate) Nc1ccccc1C(=O)OCC(O)CO Tox21_113676 -NCGC00256640-01 196726709 tox21-ror-cho-viability-p1 set3 4 -3.09810154 1.43516286 -1.82886286 0.61472318 0.39964429 -26.05843597 -5.08381105 -2.32898185 -5.50024172 -8.09833032 -6.07686062 -5.72094386 -1.16230097 -1.07515855 -0.58513637 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17209-72-2 96132 144213923 F Fns 3-[Bis(2-hydroxyethyl)amino]propanenitrile OCCN(CCC#N)CCO Tox21_303618 -NCGC00016354-11 196705333 tox21-ror-cho-viability-p1 set1 4 -5.1385385 0.08855686 0.4762957 -1.1202553 -0.7684919 -4.28247235 -2.08050301 -2.53624088 0.05603704 -4.09287668 -2.84103113 -1.00617736 -2.06364036 -3.24244252 -8.08544639 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-26-8 7184 170465688 Ac Butylparaben Oc1ccc(cc1)C(=O)OCCCC Tox21_110393_1 -NCGC00015162-10 196704930 tox21-ror-cho-viability-p1 set1 4 -1.79850816 1.29268851 1.61006767 -2.56077243 0.01516988 -2.50002644 -3.45116486 -0.56304072 -1.7157046 -3.43055396 -1.50013206 -1.79676739 1.30269026 -2.63877098 -1.40917056 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 36505-84-7 2477 170464909 A Buspirone O=C4CC1(CCCC1)CC(=O)N4CCCCN2CCN(CC2)c3ncccn3 Tox21_110092_1 -NCGC00159415-04 196704931 tox21-ror-cho-viability-p1 set1 4 -0.15023691 -5.32548408 4.15660392 0.3842251 0.101845 0.56213873 0.30338025 2.17238689 -0.2905173 -0.26664913 3.29439834 -0.71341882 0.88320196 0.33901404 2.63425175 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72-63-9 6300 170466069 A Methandrostenolone O=C3C=C4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@]1(C)O)[C@@]4(C)C=C3 Tox21_111647_1 -NCGC00091009-07 196704934 tox21-ror-cho-viability-p1 set1 4 1.68652799 -0.37045795 0.10625268 -7.4775784 -5.13477945 -0.22261486 -3.94031078 -6.13736898 0.44798925 -1.20733919 1.42014413 -0.04001834 0.81572728 -1.28466806 -5.81205805 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-18-4 6010 170464631 A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_113162_1 -NCGC00258374-01 196701615 tox21-ror-cho-viability-p1 set1 4 -0.99657774 -0.66202235 0.062121 5.91904876 3.05112456 4.95933757 5.04107856 1.44591172 6.76248749 -0.02365059 0.91829004 -0.49184872 2.39066672 1.43278289 1.16905286 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.484E-7 3.317E-7 7.4179999999E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.000041469999999 0.000092719999999 536-90-3 10824 144208018 A A 3-Methoxyaniline Nc1cccc(OC)c1 Tox21_200820 -NCGC00258285-01 196701608 tox21-ror-cho-viability-p1 set1 4 0.7648948138 -11.726415092 -1 -12.726415092 0.4 0.3716079833 0.2996497696 0.28611461 -4.70239286 -4.91127028 -0.41975291 -0.68793331 -5.11952646 -7.60352404 -9.6548982 -3.59453978 -1.99764927 -13.42881905 -5.23877635 -19.35534591 -5.20739752 -11.16630025 1.1739999999E-9 2.624E-9 5.8689999999E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091699999999 17564-64-6 87154 144207929 A A 2-(Chloromethyl)-1H-isoindole-1,3(2H)-dione O=C2c1ccccc1C(=O)N2CCl Tox21_200731 -NCGC00090776-02 196701610 tox21-ror-cho-viability-p1 set1 4 2.99223539 2.64262814 -3.09783651 2.10667504 -0.31727638 -1.55568821 2.90536603 4.09935751 -0.72177068 -0.15111523 -0.76113269 2.67285774 4.62870155 -2.68842619 5.88923561 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00258312-01 196701611 tox21-ror-cho-viability-p1 set1 -2.4 67.0579497893 -31.979039912 1.5 -30.479039912 4.5044702849 0.8718307226 0.0010859472 5.16289753 -1.29483292 -0.18310269 2.33830854 0.78191378 7.35898303 3.4668509 0.61477483 -0.22615717 1.30307317 -0.84828379 -1.82723111 3.31180062 -1.6720692 -23.73253326 1.158E-9 2.5899999999E-9 5.792E-9 1.2949999999E-8 2.896E-8 6.475E-8 1.448E-7 3.238E-7 7.24E-7 0.0000016189999999 0.00000362 0.0000080939999999 0.0000181 0.00004047 0.000090499999999 72559-06-9 6323490 144207956 A A Rifabutin CC(C)CN1CCC3(CC1)NC4=C2NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)C=CO[C@@]6(C)Oc5c(C)c(O)c(C2=O)c(C4=N3)c5C6=O Tox21_200758 -NCGC00257672-01 196701621 tox21-ror-cho-viability-p1 set1 4 4.8607118608 -10.0252293559 -1 -11.0252293559 4.9549173134 0.7704351046 0.0187905061 -0.37429306 -1.85408358 -2.38643802 -0.82891342 0.79765432 1.33993962 -5.57776337 0.25654009 0.77681917 -2.96013491 -2.64617417 -11.84392453 -12.93769113 -7.11691366 0.19421265 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.6E-8 1.476E-7 3.3E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.00004125 0.000092239999999 61755-34-8 11499271 144207316 A A 1-(2-Hydroxyethyl)-3-methylimidazolium chloride [Cl-].C[n+]1ccn(CCO)c1 Tox21_200118 -NCGC00257878-01 196701629 tox21-ror-cho-viability-p1 set1 4 1.36398614 -10.48867005 -11.64948834 -8.53603647 -3.55607607 -6.88341335 -4.74616945 -8.16177038 -9.55287374 -9.39717301 -10.6095607 5.55750071 -10.20276387 -10.6973295 -10.42179818 1.156E-9 2.585E-9 5.78E-9 1.292E-8 2.8899999999E-8 6.4619999999E-8 1.4449999999E-7 3.231E-7 7.225E-7 0.000001615 0.000003612 0.0000080769999999 0.000018059999999 0.00004039 0.00009031 529-19-1 10721 144207522 B A 2-Tolunitrile N#Cc1ccccc1C Tox21_200324 -NCGC00258064-01 196702029 tox21-ror-cho-viability-p1 set1 4 3.0793088 -11.04060595 0.33100373 3.74161214 5.96846878 -0.67896553 3.93719549 3.07629523 -1.17754925 2.41346655 2.67037599 0.85565549 0.00588528 0.71102711 3.61682342 1.2009999999E-9 2.686E-9 6.005E-9 1.3429999999E-8 3.003E-8 6.714E-8 1.501E-7 3.3569999999E-7 7.507E-7 0.000001679 0.000003753 0.000008393 0.000018769999999 0.00004196 0.000093829999999 50-06-6 4763 144207708 A A Phenobarbital O=C1NC(=O)NC(=O)C1(CC)c2ccccc2 Tox21_200510 -NCGC00258419-01 196702031 tox21-ror-cho-viability-p1 set1 4 6.2750439134 10.60127254 -2.60127254 8 0.9999999999 0.6695396206 0.0535066659 -0.81730918 -2.44461934 -3.47699604 -3.73811252 -0.14291222 0.41825607 -4.15928952 -8.00106045 0.53148353 3.75093481 0.05182002 1.43162516 6.21572424 8.2840057 5.9534128 1.206E-9 2.6959999999E-9 6.029E-9 1.348E-8 3.014E-8 6.74E-8 1.507E-7 3.37E-7 7.536E-7 0.000001685 0.0000037679999999 0.000008425 0.00001884 0.00004213 0.0000942 109-69-3 8005 144208063 FNS 1-Chlorobutane CCCCCl Tox21_200865 -NCGC00257928-01 196702034 tox21-ror-cho-viability-p1 set1 4 0.77597981 -5.68981907 -12.51460585 0.68302442 -8.01898596 0.25951427 -11.09795555 -5.50391204 -2.9717555 -9.44652134 -2.76610454 -6.44415045 -8.76810265 -0.38092053 -6.85671496 1.2049999999E-9 2.694E-9 6.0249999999E-9 1.347E-8 3.012E-8 6.736E-8 1.506E-7 3.368E-7 7.5309999999E-7 0.0000016839999999 0.000003766 0.0000084199999999 0.000018829999999 0.0000421 0.000094139999999 91-21-4 7046 144207572 D 1,2,3,4-Tetrahydroisoquinoline c1ccc2CCNCc2c1 Tox21_200374 -NCGC00258274-01 196716022 tox21-ror-cho-viability-p1 set2 4 -0.59267571 -0.37019675 0.44919443 0.87950369 1.871155 3.89947972 2.14142726 -1.3616123 2.34997976 -0.95296643 0.55800035 1.38045611 0.09661473 2.71875425 1.54845563 1.1739999999E-9 2.626E-9 5.871E-9 1.3129999999E-8 2.9349999999E-8 6.564E-8 1.468E-7 3.282E-7 7.339E-7 0.000001641 0.000003669 0.000008205 0.00001835 0.00004102 0.00009173 119-75-5 8407 144207918 A A 2-Nitrodiphenylamine [O-][N+](=O)c2ccccc2Nc1ccccc1 Tox21_200720 -NCGC00256804-01 196719348 tox21-ror-cho-viability-p1 set2 4 0.5357644 -1.2706671 2.61684635 -0.65635834 2.30012327 2.54380941 1.11996642 4.45505965 2.00009121 2.22951782 5.71230074 7.28524264 2.09317729 3.95499908 0.29685611 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 41519-23-7 5352539 144212947 Ac D (3Z)-Hex-3-en-1-yl 2-methylpropanoate O=C(OCC/C=C\CC)C(C)C Tox21_302630 -NCGC00091351-03 196716029 tox21-ror-cho-viability-p1 set2 4 50.5893147526 12.3013413959 -3.3013413959 9 0.6 0.4543593657 0.2222804427 -1.42472948 -1.2223013 -9.00111783 -5.84108842 0.6080175 -1.08770114 -6.68062602 -1.38487515 -1.1011333 -1.38461835 -0.24971131 0.33096833 0.09818073 -0.04391299 6.34401752 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00257675-01 196715609 tox21-ror-cho-viability-p1 set2 -2.4 69.0781761974 -30.715763144 1.5 -29.215763144 4.5044702849 0.9743791809 1.993E-7 2.49857952 2.71893226 0.58702469 1.70096181 0.33356407 2.61180729 2.46136238 -0.16194237 2.30849398 0.121035 1.96682733 0.28178472 2.07227702 -1.30307431 -22.67980262 1.187E-9 2.654E-9 5.9329999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.4829999999E-7 3.317E-7 7.417E-7 0.0000016579999999 0.000003708 0.000008292 0.00001854 0.00004146 0.000092709999999 2113-57-7 16449 144207319 A A 3-Bromobiphenyl Brc1cc(ccc1)c2ccccc2 Tox21_200121 -NCGC00258417-01 196716023 tox21-ror-cho-viability-p1 set2 4 -1.7577058 -1.34486569 -2.63220924 -6.20760358 -1.07875562 0.40403688 -3.44239268 -2.9510286 -2.51794992 -1.39906468 -3.38593947 -1.86639003 -2.04644761 -1.43575167 2.29207906 1.167E-9 2.609E-9 5.8339999999E-9 1.305E-8 2.917E-8 6.523E-8 1.459E-7 3.261E-7 7.2929999999E-7 0.000001631 0.000003646 0.000008153 0.00001823 0.00004077 0.000091159999999 19767-45-4 23662354 144208061 A F Sodium 2-mercaptoethanesulfonate [Na+].[O-]S(=O)(=O)CCS Tox21_200863 -NCGC00258275-01 196716033 tox21-ror-cho-viability-p1 set2 4 0.17067018 -1.22888538 -0.71318586 -0.89358723 0.57451782 0 2.42928551 2.31917171 -0.11789263 0.40351011 1.70932483 0.40225642 1.58892587 -0.23424627 0.09648501 1.166E-9 2.6069999999E-9 5.83E-9 1.304E-8 2.9149999999E-8 6.518E-8 1.457E-7 3.259E-7 7.287E-7 0.000001629 0.0000036439999999 0.000008147 0.00001822 0.00004074 0.00009109 207-08-9 9158 144207919 A A Benzo(k)fluoranthene c3c5c1cccc2cccc(c12)c5cc4ccccc34 Tox21_200721 -NCGC00257588-01 196716037 tox21-ror-cho-viability-p1 set2 4 15.5272345649 10.5242957799 -7.0242957799 3.5 2.09374246 0.4678246367 0.2259708435 -5.2502447 -9.90609329 -7.34421394 -4.12020069 -5.39397371 -4.14969102 -8.60683343 -15.43691315 -3.84329324 -5.35670595 -8.79135468 -3.91548074 -1.13070003 2.28193999 -6.90350472 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.976E-8 6.656E-8 1.4879999999E-7 3.3279999999E-7 7.441E-7 0.0000016639999999 0.000003721 0.000008319 0.0000186 0.0000416 0.00009301 16045-92-4 27655 144207232 C Chlorobutanedioic acid O=C(O)CC(Cl)C(=O)O Tox21_200034 -NCGC00258680-01 196716429 tox21-ror-cho-viability-p1 set2 4 1.65875402 1.42324685 2.08131855 0.95389495 5.18180799 5.12953729 2.75986982 2.6050695 3.47359374 1.90527929 2.37345066 5.87391803 3.05795752 0.60819231 1.82997518 1.212E-9 2.709E-9 6.0579999999E-9 1.3549999999E-8 3.029E-8 6.773E-8 1.515E-7 3.387E-7 7.5729999999E-7 0.000001693 0.000003786 0.000008467 0.00001893 0.000042329999999 0.000094659999999 103-72-0 7673 144208326 D Phenyl isothiocyanate S=C=N/c1ccccc1 Tox21_201128 -NCGC00160537-04 196716431 tox21-ror-cho-viability-p1 set2 4 -1.87222337 -2.05811713 -0.22973619 -2.25258502 0.87210841 -3.30380256 1.34813323 -4.77974414 1.64544809 0.5610527 -2.6918776 -3.89542273 -2.13679215 -1.3702926 -0.64885288 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00257709-01 196716436 tox21-ror-cho-viability-p1 set2 4 68.3107079272 -10.180627288 0.5 -9.680627288 4.9549173134 0.7995100108 0.0084590812 -0.71879718 0.36188085 -0.70150275 -0.68078495 2.99039229 1.14887426 0.10717773 0.66454945 -0.11212216 1.71541015 -0.24871798 1.24848884 -0.53609829 0.10930369 -7.65052274 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.571E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008214 0.00001837 0.00004107 0.00009184 51-36-5 5811 144207353 A A 3,5-Dichlorobenzoic acid Clc1cc(cc(Cl)c1)C(=O)O Tox21_200155 -NCGC00257888-01 196716438 tox21-ror-cho-viability-p1 set2 4 -0.64949987 0.41763696 0.01855983 2.06136749 1.80228085 2.68525964 -2.75498914 -0.29937048 0.88862278 -2.89640357 0.37525838 1.09933623 -4.53792297 -2.1124531 -0.00474297 1.185E-9 2.6499999999E-9 5.927E-9 1.325E-8 2.9629999999E-8 6.626E-8 1.482E-7 3.3129999999E-7 7.408E-7 0.000001657 0.000003704 0.0000082829999999 0.00001852 0.000041409999999 0.000092599999999 591-17-3 11560 144207532 AC A 3-Bromotoluene Cc1cc(Br)ccc1 Tox21_200334 -NCGC00258057-01 196716440 tox21-ror-cho-viability-p1 set2 4 0.20281535 0.2010272 0.47966697 5.39049755 1.16998451 5.07142152 -1.29887948 1.55149069 0.27425478 0.91945826 1.47087555 3.36862776 1.58292957 2.1793018 0.23680239 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3079999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.000008269 0.000018489999999 0.00004135 0.00009245 108-78-1 7955 144207701 A A Melamine Nc1nc(N)nc(N)n1 Tox21_200503 -NCGC00258438-01 196716441 tox21-ror-cho-viability-p1 set2 2.2 43.0131963229 39.9995520235 -1.2249410549 38.7746109686 2.7202212143 0.9645673832 0.0000012462 -1.87025955 1.41379407 -0.439717 -2.9005089 -0.47054197 -2.54284073 -1.79227484 -0.21398477 1.7730107 -6.04703361 -0.8384757 0.42959026 0.59332307 17.21075733 34.58295193 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 55268-75-2 41375 144208082 A A Cefuroxime CO\N=C(\c1ccco1)C(=O)N[C@@H]3C(=O)N2C(=C(COC(N)=O)CS[C@@H]23)C(=O)O Tox21_200884 -NCGC00256234-01 196700140 tox21-ror-cho-viability-p1 set1 -2.1 27.0285678219 -89.2111007648 -2.525905606 -91.7370063708 4.9549173134 0.9837711856 5.87E-8 -4.23886444 -3.96492148 -4.48227183 0.27837472 -3.49433491 -4.33721117 -1.95625237 0.11523365 0.32081452 -2.27668681 -2.70274685 -2.30612382 -10.81584246 -89.93824154 -48.20695489 1.1699999999E-9 2.617E-9 5.851E-9 1.3079999999E-8 2.926E-8 6.542E-8 1.463E-7 3.271E-7 7.314E-7 0.0000016359999999 0.000003657 0.000008178 0.00001829 0.000040889999999 0.00009143 3031-66-1 18198 144212053 Bc F Hex-3-yne-2,5-diol CC(O)C#CC(C)O Tox21_301736 -NCGC00163815-04 196703847 tox21-ror-cho-viability-p1 set1 -2.4 25.9539355476 -32.520717208 0 -32.520717208 0.7999999999 0.9431531078 0.0000169716 -0.43497419 1.35955452 -0.34422877 -1.99048509 -0.10740851 1.30814963 -1.68494107 -4.05009137 -0.38154238 -0.24389722 -4.98973425 -13.34224891 -14.43821889 -17.20224126 -25.01726434 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00244579-01 196699717 tox21-ror-cho-viability-p1 set1 -2.2 61.130564862 -58.0116801584 0.607509942 -57.4041702164 3.6272481694 0.9879370324 2.5E-9 0.8561835 2.10427142 -1.71659557 0.42371779 -1.29071407 -1.66643581 2.40658981 0.08503053 -0.84342885 0.04354527 1.72504459 0.85789407 1.13061342 -10.98612245 -46.51831077 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00254711-01 196699732 tox21-ror-cho-viability-p1 set1 4 -1.86909744 1.83692468 4.62022766 3.43669855 3.30906704 1.15904314 0.70388549 3.41012974 0.7337241 0.80418574 2.92666897 2.79800897 2.39646044 1.83378733 -0.56841444 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7287-19-6 4929 144211124 A A Prometryn CSc1nc(NC(C)C)nc(NC(C)C)n1 Tox21_300807 -NCGC00255469-01 196700129 tox21-ror-cho-viability-p1 set1 4 43.2771256911 -18.95738674 -1.5 -20.45738674 0.6 0.4727644202 0.2034347185 -4.70105516 -0.79117446 1.52236579 -9.05463195 1.82693277 2.40495833 1.27011295 -4.87711772 -6.02256267 0.62693978 -8.24191141 -11.21808166 -1.79249642 -10.11124293 -16.21448895 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 30391-89-0 94411 144212296 A A 2-Amino-N-(1-methylethyl)benzamide O=C(NC(C)C)c1ccccc1N Tox21_301979 -NCGC00255542-01 196700545 tox21-ror-cho-viability-p1 set1 4 1.33966245 0.86983337 -2.28123976 3.60249043 1.79128683 2.78872143 -0.83759457 7.05286536 0.15379224 3.27161166 2.59181141 2.4267768 0.79823778 0.41524405 1.11623245 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1617-90-9 15376 144212285 A A Vincamine O=C(OC)[C@@]5(O)C[C@@]4(CCCN3CCc2c1ccccc1n5c2[C@@H]34)CC Tox21_301968 -NCGC00255298-01 196700547 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -90.8034725183 1.7035948319 -89.0998776864 4.5044702849 0.9907813316 5E-10 3.63758133 -0.6451642 0.70601091 0.42824681 -0.16851808 2.982927 2.01943142 5.21391472 0.77455397 5.1961766 2.13186043 0.81583197 0.23556591 -6.18363536 -70.71418864 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2491-38-5 4964 144212258 F D 2-Bromo-4-hydroxyacetophenone O=C(CBr)c1ccc(O)cc1 Tox21_301941 -NCGC00257541-01 196700548 tox21-ror-cho-viability-p1 set1 4 21.6899429044 -10.860048072 -1 -11.860048072 4.9549173134 0.5082827474 0.1889556511 0.76888198 -2.03131397 -5.03467698 1.59065351 -8.60053511 1.16779963 2.12169751 -1.56838857 -0.76407748 1.68736294 -0.14186442 -0.7123723 -4.5554962 -11.55004006 -4.86089487 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-08-3 7122 144212503 A A 2'-Acetonaphthone CC(=O)c1ccc2ccccc2c1 Tox21_302186 -NCGC00255257-01 196700556 tox21-ror-cho-viability-p1 set1 4 61.130564862 -15.403566456 1 -14.403566456 3.6272481694 0.742509505 0.0221227297 3.95838606 0.10673502 0.7521041 6.14876948 -0.19598646 0.60917877 -1.29608499 0.15642219 -1.20347346 0.58214639 0.46607231 2.69080131 0.04274849 -1.8094268 -11.58630538 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-04-0 2723 144212364 A A 4-Chloro-3,5-dimethylphenol Oc1cc(C)c(Cl)c(C)c1 Tox21_302047 -NCGC00091284-03 196700557 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -27.507273864 -4 -31.507273864 0.7999999999 0.5871042189 0.1064096491 -3.26427351 -3.88240051 -3.21354742 -7.02496531 0.24229948 -4.18706605 -9.75088923 -11.29699991 -2.54955114 -3.71114726 -2.67985377 -4.98594214 -2.12701592 -20.49538718 -22.92272822 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00255196-01 196700560 tox21-ror-cho-viability-p1 set1 -2.4 15.3553036427 -21.86553032 -2.5 -24.36553032 0.8999999999 0.7450277083 0.0210351693 -3.32356745 3.04769916 -6.16988314 0.40564192 -2.00346288 -4.4943421 -3.18783267 -9.29644588 -5.96950756 -1.40609756 -1.61221518 -15.38900948 -14.98965217 -15.26554979 -21.5546086 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33245-39-5 36392 144211650 A A Fluchloralin [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCCl)CCC)C(F)(F)F Tox21_301333 -NCGC00255121-01 196728372 tox21-ror-cho-viability-p1 set3 4 0.5448267328 -12.588105364 5 -7.588105364 0.2 0.6901851186 0.0441010844 0.69361014 5.66398278 0.44622256 -0.46347944 1.09225306 -0.76346923 -2.03859428 -0.96455976 -0.71191862 -0.99872195 -2.66265653 -3.14418738 -1.90210463 -4.63091951 -4.65675447 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 70124-77-5 12797557 144212571 A I Flucythrinate FC(F)Oc1ccc(cc1)[C@H](C(C)C)C(=O)OC(C#N)c3cc(Oc2ccccc2)ccc3 Tox21_302254 -NCGC00255320-01 196728384 tox21-ror-cho-viability-p1 set3 4 2.49318513 1.81382777 10.43524513 -2.00377133 0.46921782 -6.10966156 6.89467962 10.58235823 -3.97895755 -2.10785829 7.39552008 9.50372187 5.85967731 -6.54911091 -7.13462198 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55704-78-4 62105 144212749 F A 2,5-Dimethyl-1,4-dithiane-2,5-diol CC1(O)CSC(C)(O)CS1 Tox21_302432 -NCGC00255888-01 196728392 tox21-ror-cho-viability-p1 set3 4 3.20016712 2.56912076 -0.71679266 0.14266547 7.94999426 8.00102223 1.74439058 2.69585606 1.46966109 5.80650938 1.22836188 -1.18377397 -0.10719663 1.98053653 -1.24413087 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1571-33-1 15295 144212377 A A Phenylphosphonic acid OP(O)(=O)c1ccccc1 Tox21_302060 -NCGC00255491-01 196728789 tox21-ror-cho-viability-p1 set3 4 0.0015339689 15.7748972759 -14.2748972759 1.5 4.9549173134 0.7078715221 0.0350781699 -11.89574773 3.782923 -1.20068195 0.93735324 -0.00425572 2.21894124 4.86872273 3.54145521 4.4194866 0.17186563 1.90951394 -2.44031572 0.31169026 0.31056718 2.08733251 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 123-00-2 61055 144212393 Ac A 4-Morpholinepropanamine NCCCN1CCOCC1 Tox21_302076 -NCGC00255462-01 196728794 tox21-ror-cho-viability-p1 set3 4 -2.17188824 1.98423444 1.95650846 0.14379511 2.67909608 0.97995874 2.74655298 1.97698248 5.58285657 -2.46219642 4.31864381 0.2809293 -3.26333636 0.0180227 0.90967112 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 71868-10-5 92387 144211981 A A 2-Methyl-4'-(methylthio)-2-morpholinopropiophenone CC(C)(N1CCOCC1)C(=O)c2ccc(SC)cc2 Tox21_301664 -NCGC00255471-01 196728804 tox21-ror-cho-viability-p1 set3 4 0 2.66771464 0.05198279 4.35015969 5.59566064 -1.7504677 6.6510944 5.04037218 5.53633112 5.25800724 5.73130493 0.92003674 -3.01472738 -2.28326496 3.91844489 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17040-19-6 28213 144211892 A A Demeton-S-methylsulphon O=S(=O)(CCSP(=O)(OC)OC)CC Tox21_301575 -NCGC00258076-01 196729204 tox21-ror-cho-viability-p1 set3 4 1.29059893 -0.93835078 0.12331683 -5.46621414 1.48134835 0.82209284 -9.69772117 -0.60614729 -1.78437898 -0.98167885 -0.09631377 -5.3446377 -1.43715075 -0.40166287 1.25511855 1.1919999999E-9 2.6649999999E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004163 0.000093099999999 822-87-7 13203 144207720 A A 2-Chlorocyclohexanone O=C1CCCCC1Cl Tox21_200522 -NCGC00257657-01 196729209 tox21-ror-cho-viability-p1 set3 4 -3.85270603 -0.45737581 -3.91643806 0.1487124 -0.17396537 -0.40914548 -0.89422752 2.09980512 1.25752896 1.50960401 2.10822403 4.29262382 1.9139284 2.07915871 0.96781845 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.968E-8 6.6359999999E-8 1.484E-7 3.318E-7 7.4189999999E-7 0.000001659 0.0000037099999999 0.000008295 0.00001855 0.000041479999999 0.00009274 119-32-4 8390 144207301 A A 4-Methyl-3-nitroaniline O=[N+]([O-])c1cc(N)ccc1C Tox21_200103 -NCGC00024928-23 196725127 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -101.6432680045 5.2332650959 -96.4100029086 4.9549173134 0.9793937058 5.64E-8 3.3318015 2.68380253 5.30251696 10.76452009 0.79840826 4.28758436 7.35557032 4.30005362 2.20989167 3.70610417 8.76366107 7.75995977 1.09471035 0.31018375 -84.57017799 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54965-24-1 2733525 170465425 A Tamoxifen O=C(O)C(O)(CC(=O)O)CC(=O)O.CN(C)CCOc1ccc(cc1)/C(c2ccccc2)=C(/CC)c3ccccc3 Tox21_110938_1 -NCGC00260676-01 196724710 tox21-ror-cho-viability-p1 set3 -2.2 48.7553235558 -56.2035342014 -2.889754459 -59.0932886604 2.4063783767 0.9742357581 2.041E-7 -5.55460741 -1.4415374 -3.59291569 -5.85890799 -0.45830943 -4.4681604 -0.74419066 -4.68812861 -2.88128464 -4.0841406 -0.41676792 -2.63906651 -3.73437584 -26.4545962 -49.31309747 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004136 0.00009247 78-30-8 6527 144210181 A A Tri-o-cresyl phosphate Cc3ccccc3OP(=O)(Oc1ccccc1C)Oc2ccccc2C Tox21_202983 -NCGC00163843-03 196725118 tox21-ror-cho-viability-p1 set3 4 5.5425928923 5.837924332 -2.837924332 3 4.9549173134 0.3617601707 0.326535016 3.16859452 0.1787054 -7.78160361 -6.78788383 -3.43212798 -4.93421642 0.13766607 0.26246582 -4.74173914 -5.01263274 -4.07835957 3.59978254 3.844777 0.61483719 -0.30137976 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00160418-02 196725122 tox21-ror-cho-viability-p1 set3 1.2 13.3331902297 55.9923054957 0.3224855579 56.3147910536 3.0654483358 0.9919982125 2E-10 -1.0238664 0.04784518 3.34533751 1.28889471 0.71367918 -0.60553002 -1.38496933 1.59836284 0.6844032 -1.15005933 -0.69551578 3.39853047 13.64703301 44.8387864 58.77054313 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83471-41-4 71267 170466105 A Pincainide Cc2cccc(C)c2NC(=O)CN1CCCCCC1 Tox21_111801_1 -NCGC00159472-05 196705372 tox21-ror-cho-viability-p1 set1 4 -0.29055482 -6.85102855 6.52485791 0.51896589 0.31260948 6.05300818 -1.93058018 -0.32532292 -3.96545063 -0.57779734 0.6548543 -1.25676542 -1.40907046 -1.3842281 -0.82842036 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 133-10-8 2724368 170465206 A Sodium 4-aminosalicylate [Na+].O=C([O-])c1ccc(N)cc1O Tox21_111696_1 -NCGC00253625-01 196704953 tox21-ror-cho-viability-p1 set1 -2.4 26.6032120037 -30.30075796 -1.5 -31.80075796 1.4641 0.9025935126 0.0002840037 -3.75914418 -0.06896953 0.04736677 2.48107143 -1.30115029 -0.847408 -1.20385907 0.41659002 -3.57753925 -5.84717944 -4.0250325 -1.47299625 -7.37350945 -14.06023183 -23.1672983 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83783-69-1 3019305 170466728 A A 1-(4-Fluorobenzyl)-1H-benzimidazol-2-amine Fc1ccc(cc1)Cn2c3ccccc3nc2N Tox21_113754 -NCGC00249907-01 196704955 tox21-ror-cho-viability-p1 set1 4 0.0943917582 -3.063689092 3 -0.063689092 4.9549173134 0.3958045942 0.2977319183 3.11526852 8.00812073 1.72481597 0.41363841 0.58916613 4.52848324 2.22108104 -0.17896765 -2.96974091 0.10077489 0.45277828 -1.38411382 1.00717857 1.40258588 3.32390743 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61-56-3 5356 170465788 A A Sulthiame O=S2(=O)CCCCN2c1ccc(cc1)S(N)(=O)=O Tox21_113683 -NCGC00253652-01 196705370 tox21-ror-cho-viability-p1 set1 4 -0.47575954 0.16953702 1.81539087 0.20292888 -4.67073115 0.33809772 0.90457136 -0.1581207 1.24401897 -0.52257211 2.62192256 0.75529012 0.16979654 0.47507755 0.03008003 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1078-19-9 14112 170466752 A A 6-Methoxy-?1-?tetralone COc2ccc1c(CCCC1=O)c2 Tox21_113778 -NCGC00257253-01 196707045 tox21-ror-cho-viability-p1 set1 4 0.95753898 -1.62999637 0.92561866 -10.4321508 -11.85044649 1.00314339 -0.29027289 -6.62621346 -12.45782191 -13.13517266 -0.26242316 1.06843241 -0.41315729 -0.24444888 -9.46592075 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 114651-37-5 163934 144213912 A A {4-[(Ethenyloxy)methyl]cyclohexyl}methanol OCC1CCC(COC=C)CC1 Tox21_303607 -NCGC00258949-01 196706649 tox21-ror-cho-viability-p1 set1 4 2.36843996 0.52741605 -1.06063186 0.37315962 3.12547721 0.49286495 2.64422691 -0.58302294 1.27774789 14.04662329 1.02816389 1.80935608 -0.02939551 0.50634596 0.41514719 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.331E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 556-67-2 11169 144208596 AC Octamethylcyclotetrasiloxane C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 Tox21_201398 -NCGC00257148-01 196707043 tox21-ror-cho-viability-p1 set1 4 -0.22637181 -0.7785515 1.22422357 1.18502102 -1.45480997 -0.10673441 6.13635843 4.04932807 1.60170688 1.75551474 4.25381889 6.2792482 0.41708369 3.4777356 4.62750262 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-15-9 7078 144213538 A D N-(2-Methoxyphenyl)-3-oxobutanamide COc1ccccc1NC(=O)CC(C)=O Tox21_303221 -NCGC00257446-01 196707044 tox21-ror-cho-viability-p1 set1 4 23.5743972981 -10.9710798439 0.5 -10.4710798439 4.9549173134 0.9300984933 0.0000521755 2.06064967 0.56624529 -0.74125353 1.28131857 -0.0476087 0.11127759 0.64354046 1.164786 1.96954126 0.48601383 -0.80989985 0.75037805 -0.11219673 -11.22589987 -9.32271158 1.044E-9 2.335E-9 5.22E-9 1.167E-8 2.61E-8 5.836E-8 1.305E-7 2.918E-7 6.5249999999E-7 0.000001459 0.000003263 0.000007296 0.000016309999999 0.000036479999999 0.000081569999999 146011-65-6 9850056 144213689 A FR145237 Fc5cc(F)cc(F)c5NC(=O)N(Cc1ccccc1)Cc3oc2ccc(C)cc2c3c4ccc(Cl)cc4 Tox21_303375 -NCGC00256894-01 196707060 tox21-ror-cho-viability-p1 set1 4 54.4826732819 -12.145881948 2 -10.145881948 3.9294729863 0.63927419 0.0716022331 0.90117007 1.34882776 1.71599804 -0.98696537 1.57175275 -0.73170609 0.76767191 3.87951094 1.46915259 0.21086005 2.37181788 7.8859796 2.38311321 -1.44396448 -8.87156829 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 37609-25-9 162268 144212849 A A 5-Cyclohexadecen-1-one O=C1CCCCCCCCCCC=CCCC1 Tox21_302532 -NCGC00090962-05 196707460 tox21-ror-cho-viability-p1 set1 4 38.3355515749 -10.2347074559 0.5 -9.7347074559 2.3331733767 0.7961914828 0.0088679478 1.04673728 0.39049686 1.61092954 -1.62658386 -0.01695247 0.03225122 2.17826938 -1.98500895 3.21155098 0.45039854 -0.26909585 -0.5266143 -0.06588769 -5.45941775 -8.52892288 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00256590-01 196707463 tox21-ror-cho-viability-p1 set1 4 2.0657899 0.88360601 1.27103243 -0.99184935 -0.93914974 -0.77169776 1.34895357 2.81609938 0.13428735 -0.69939944 2.7583869 0.68485897 2.09589627 0.17641549 0.57250687 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 61702-44-1 22584 144213224 F Fns 2-Chloro-1,4-diaminobenzene sulfate Nc1cc(Cl)c(N)cc1.O=S(=O)(O)O Tox21_302907 -NCGC00257220-01 196707468 tox21-ror-cho-viability-p1 set1 4 61.130564862 13.138731888 0.861268112 14 0.7999999999 0.4918774143 0.1874521531 -0.13549058 2.82590227 -4.69894324 0.60796338 -1.31300337 1.9946417 3.4362126 4.24590312 5.12877004 1.29277708 0.03196309 -0.0004144 2.60365793 7.63713505 10.15850447 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-35-6 8178 144213432 A A 2-[2-(2-Methoxyethoxy)ethoxy]ethanol OCCOCCOCCOC Tox21_303115 -NCGC00256832-01 196707473 tox21-ror-cho-viability-p1 set1 4 1.2525113 -0.01621317 1.13087544 0.3910929 -0.85567701 3.88221644 6.22825038 10.5102694 0.87644439 -0.59426857 0.74029845 -0.71996117 2.2023618 0.57037589 7.86881537 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65894-82-8 5362564 144212776 F F 2-(2-Butyl)-4,5-dimethyl-3-thiazoline CC1=NC(SC1C)C(C)CC Tox21_302459 -NCGC00254760-01 196713983 tox21-ror-cho-viability-p1 set2 4 2.40914141 -1.43859233 1.19124025 2.12177757 2.46735857 0.01394353 0.39412593 1.51185496 0.73097428 0.17674484 1.77501157 5.43977255 -0.4461323 2.13724374 0.84796008 1.4029999999E-9 3.137E-9 7.013E-9 1.568E-8 3.5069999999E-8 7.8409999999E-8 1.753E-7 3.9209999999E-7 8.767E-7 0.00000196 0.000004383 0.0000098019999999 0.00002192 0.000049009999999 0.0001096 95-69-2 7251 144211174 A A 4-Chloro-2-methylaniline Cc1cc(Cl)ccc1N Tox21_300857 -NCGC00254415-01 196714380 tox21-ror-cho-viability-p1 set2 4 -1.50337362 -0.33763519 -0.28937264 3.05609379 2.86606391 2.2347709 1.30071452 -0.86625639 -1.17936848 2.40661637 -0.52567148 7.73132244 2.3882865 6.35583565 5.03453254 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-44-1 7934 144210885 A Bc 3-Methylaniline Cc1cc(N)ccc1 Tox21_300568 -NCGC00091205-03 196713971 tox21-ror-cho-viability-p1 set2 4 -0.82892556 2.44506359 1.61273701 -2.02528931 -0.29760141 1.36321195 1.05960826 3.78150154 3.53592095 2.25392408 -0.92965153 3.48420793 -1.72932329 1.45690434 1.49411166 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00254693-01 196713982 tox21-ror-cho-viability-p1 set2 4 10.9460589045 9.891356744 1.608643256 11.5 0.7999999999 0.6479851086 0.078360918 2.20812911 2.493319 2.17856638 0.96580548 1.25972725 4.43300168 1.4595133 -0.32613062 4.34905 4.94042223 2.42034901 6.10758946 12.45421988 7.33456797 5.84647273 1.742E-9 3.896E-9 8.7119999999E-9 1.948E-8 4.356E-8 9.741E-8 2.1779999999E-7 4.87E-7 0.0000010889999999 0.000002435 0.000005445 0.000012179999999 0.00002723 0.00006088 0.0001361 513-85-9 262 144211106 I A 2,3-Butanediol CC(O)C(C)O Tox21_300789 -NCGC00090885-03 196714383 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -9.398433076 0 -9.398433076 4.9549173134 0.5097209384 0.1739341341 -2.69054157 0.49409156 -0.88447703 0.15437863 0.15483392 0.49810627 -2.86311443 -1.52262746 3.43044186 -0.1322522 3.09082617 -1.29656724 1.48873304 -0.05235754 -6.99869423 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00254617-01 196714393 tox21-ror-cho-viability-p1 set2 4 -13.1091334 -11.7646296 -2.65224588 -3.94357287 -5.30180234 -10.44812279 -7.74713562 -6.28343445 -14.9701851 1.49479036 -1.13753878 -21.61369015 2.80787728 2.08878343 0.49942911 1.137E-9 2.5419999999E-9 5.6829999999E-9 1.271E-8 2.842E-8 6.354E-8 1.421E-7 3.177E-7 7.104E-7 0.000001589 0.000003552 0.000007943 0.00001776 0.00003971 0.000088799999999 6192-52-5 521998 144211027 A A 4-Methylbenzenesulfonic acid hydrate O.Cc1ccc(cc1)S(O)(=O)=O Tox21_300710 -NCGC00090858-02 196714813 tox21-ror-cho-viability-p1 set2 4 -4.87371252 -4.6676189 -0.73297996 -3.89632379 -1.46269571 -3.85740629 -3.76502339 -2.56432922 -2.81573169 -5.01195665 -2.87953863 0.20232421 -4.58567644 -1.06682477 -1.82209034 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00254570-01 196715208 tox21-ror-cho-viability-p1 set2 4 -3.01724691 -4.34127601 -2.75226312 -1.23525047 -2.56094773 -1.93206397 -3.62694094 0.70008734 1.29461385 1.17528965 -14.32317138 -4.96953756 -2.74165392 1.71811255 1.15512398 1.361E-9 3.044E-9 6.8069999999E-9 1.522E-8 3.404E-8 7.61E-8 1.7019999999E-7 3.805E-7 8.509E-7 0.000001903 0.0000042539999999 0.000009513 0.000021269999999 0.00004757 0.0001064 123-33-1 21954 144210979 AC Maleic hydrazide O=C1C=CC(=O)NN1 Tox21_300662 -NCGC00254154-01 196715209 tox21-ror-cho-viability-p1 set2 4 -1.49355995 -2.06076003 1.33499792 1.05555021 -0.74373183 0.4319972 -1.80385973 -0.25565527 -3.13856187 -3.2427921 -0.71626263 -2.32235453 0.46607125 0.68891083 -1.35993307 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-51-6 244 144210364 A A Benzyl alcohol OCc1ccccc1 Tox21_300044 -NCGC00255028-01 196715231 tox21-ror-cho-viability-p1 set2 4 3.50094104 1.72032156 -0.64601103 1.31861253 -1.33702345 2.02540229 -1.35666866 1.43311475 2.79642361 1.58740306 -0.74970444 3.11376249 4.24408369 -2.04679197 3.14012739 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 499-83-2 10367 144211446 A A 2,6-Pyridinedicarboxylic acid OC(=O)c1cccc(n1)C(=O)O Tox21_301129 -NCGC00257984-01 196715628 tox21-ror-cho-viability-p1 set2 4 0.46522607 0.39998389 -0.0654199 1.50465129 0.97218465 -0.43956657 1.42705233 0.74416433 2.72440905 -1.16371336 2.0746477 1.45019607 1.1397949 2.59382024 1.12122354 1.1679999999E-9 2.6109999999E-9 5.838E-9 1.305E-8 2.919E-8 6.5269999999E-8 1.459E-7 3.2629999999E-7 7.297E-7 0.0000016319999999 0.000003648 0.0000081579999999 0.000018239999999 0.000040789999999 0.000091209999999 97-30-3 64947 144207628 A Methyl alpha-D-glucopyranoside O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OC Tox21_200430 -NCGC00257995-01 196715631 tox21-ror-cho-viability-p1 set2 4 0.8503370664 -4.4637703319 3.5 -0.9637703319 4.9549173134 0.362475967 0.3266440457 2.51131953 2.75589665 2.81308002 0.19934456 4.89923152 4.23821141 4.06435887 5.46904746 2.57367158 -7.46980861 1.25124975 -3.49467256 3.8149803 0.84266687 7.49076699 1.165E-9 2.606E-9 5.8259999999E-9 1.303E-8 2.9129999999E-8 6.514E-8 1.457E-7 3.2569999999E-7 7.2829999999E-7 0.000001629 0.000003641 0.000008143 0.00001821 0.00004071 0.00009104 126-11-4 31337 144207639 A A 2-(Hydroxymethyl)-2-nitro-1,3-propanediol O=[N+]([O-])C(CO)(CO)CO Tox21_200441 -NCGC00258368-01 196715642 tox21-ror-cho-viability-p1 set2 4 4.50800284 2.24989434 -0.26090192 0.31706488 -0.23660996 -0.2120128 -0.29295374 0.33395871 -0.1882575 1.81439595 0.70707914 3.5311252 0.9238475 1.89098329 0.32246935 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.00000389 0.0000086969999999 0.00001945 0.00004349 0.000097239999999 10025-87-3 24813 144208012 Phosphoric trichloride ClP(Cl)(Cl)=O Tox21_200814 -NCGC00258398-01 196716044 tox21-ror-cho-viability-p1 set2 4 0.23462915 1.4852439 0.05038253 0.36412214 -2.41803121 3.20849814 -1.41562219 4.74261847 1.25731936 0.3128049 1.41070271 2.17976154 -8.6498321 2.11282908 2.27552335 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 1572-52-7 74080 144208042 A A 2-Methylenepentanedinitrile N#CC(=C)CCC#N Tox21_200844 -NCGC00254877-01 196699323 tox21-ror-cho-viability-p1 set1 4 -1.15752414 3.83057701 5.09269895 1.57291656 2.4667149 5.13516053 2.38718237 0.9826601 -3.29178012 0.1709583 0.18340316 2.78154912 -0.23326647 1.32663081 7.22768318 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-55-4 7940 144211292 A A Glutaric anhydride O=C1CCCC(=O)O1 Tox21_300975 -NCGC00254703-01 196698923 tox21-ror-cho-viability-p1 set1 4 1.62805178 1.18214798 0.35409224 -2.99966005 0.63726515 -1.82761002 2.77043857 2.68599203 0.59728472 1.17329834 -0.34559225 0.12812075 6.35021663 1.54325157 -0.65256734 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2425-77-6 95337 144211116 A Ac 2-Hexyl-1-decanol CCCCCCC(CCCCCCCC)CO Tox21_300799 -NCGC00254056-01 196699328 tox21-ror-cho-viability-p1 set1 4 -1.11792482 7.14600671 1.25191495 3.53241385 4.67234838 -1.30006528 -0.69203065 1.09306411 1.02160347 0.93506892 3.51766292 2.84507925 6.31988369 7.15572342 6.69571603 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 121-69-7 949 144210356 AC F N,N-Dimethylaniline CN(C)c1ccccc1 Tox21_300036 -NCGC00254854-01 196699330 tox21-ror-cho-viability-p1 set1 4 -1.09245532 4.64380205 -1.11343939 0.12046729 0.1660987 1.60647973 -0.1619676 -2.68480438 4.36194631 -3.05931647 1.73071252 0.09629933 5.25837882 3.20500007 0.30347557 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1072-83-9 14079 144211269 A A 2-Acetylpyrrole CC(=O)c1cccn1 Tox21_300952 -NCGC00090858-02 196699332 tox21-ror-cho-viability-p1 set1 4 9.6885416101 -7.373658644 1.5 -5.873658644 1.5385888099 0.5250640625 0.1753948177 0.86640417 5.39825221 0.00551112 -1.77493167 -1.9568319 1.8083696 3.90662786 0.35674356 3.65747035 2.93575165 -1.52975302 -1.96979285 -3.13289283 -5.72804887 4.1692263 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00254563-01 196699334 tox21-ror-cho-viability-p1 set1 4 -4.87339986 -4.0578892 -3.58627364 1.78367399 -3.52845352 -3.5908918 -1.73076856 -7.58142411 -6.49925115 -2.79959949 -4.75574063 -2.06343702 -4.53687679 -1.20772529 -4.41522162 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15299-99-7 27189 144210972 A A Napropamide CCN(CC)C(=O)C(C)Oc2cccc1ccccc12 Tox21_300655 -NCGC00254786-01 196699337 tox21-ror-cho-viability-p1 set1 4 76.8805649772 -10.838687048 -0.5 -11.338687048 4.9549173134 0.4567503754 0.2211541176 2.84574985 -3.52396708 0.53545745 -4.33476067 -0.93957601 -0.95215555 1.54067224 1.20654883 -3.61936964 -2.12909483 -0.893142 -1.76974012 2.86991948 -0.19296907 -8.61557254 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 39515-41-8 47326 144211199 A A Fenpropathrin CC3(C)C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C Tox21_300882 -NCGC00254505-01 196699342 tox21-ror-cho-viability-p1 set1 4 68.5896218971 15.03875486 -1.53875486 13.5 4.0949729863 0.5209050007 0.1610585162 -1.49418176 0.88167014 -1.11904073 -1.7922681 0.75801155 -9.61562905 -0.9465867 -0.28235418 -0.7271561 -6.78584421 0.11911572 -1.56334603 1.63845488 -0.28768283 10.14595497 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-04-2 667493 144210815 A A 6-Methyl-2-thiouracil O=C1C=C(C)NC(=S)N1 Tox21_300497 -NCGC00254234-01 196699344 tox21-ror-cho-viability-p1 set1 4 -6.6265873 -4.32175623 -3.87080672 -5.21553267 -4.15153032 -3.97069558 -3.98728077 -1.20408558 -4.52757616 0.65011793 -1.52892642 -0.6966109 -2.96036535 -1.67273166 1.7609309 8.63E-10 1.93E-9 4.315E-9 9.648E-9 2.1569999999E-8 4.8239999999E-8 1.079E-7 2.4119999999E-7 5.394E-7 0.000001206 0.0000026969999999 0.00000603 0.00001348 0.000030149999999 0.00006742 114-07-8 12560 144210833 D Erythromycin CN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]3O Tox21_300515 -NCGC00254274-01 196699745 tox21-ror-cho-viability-p1 set1 4 -3.01834566 0.93679381 -0.14646203 -3.13918803 -3.26158524 0.28838558 -4.24400009 3.04103286 -3.97461054 0.83661068 -0.25621441 -6.59510968 0.74319884 -4.08632234 3.54988841 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55290-64-7 41385 144210741 A Ac Dimethipin O=S1(=O)CCS(=O)(=O)C(C)=C1C Tox21_300423 -NCGC00167437-02 196723004 tox21-ror-cho-viability-p1 set3 4 0.7497803863 -9.132707628 -1.834747632 -10.96745526 0.9999999999 0.887653354 0.001012968 -1.41999799 -2.7524961 -3.9645569 -1.77277296 -0.32256548 -4.0527602 -0.27895636 -4.0750636 -4.85321509 -6.6156067 -9.46393291 -8.96833605 -10.38954605 -10.34588466 2.21012942 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 132907-72-3 107999 170465928 A Ramosetron hydrochloride Cl.O=C(c2cn(C)c1ccccc12)[C@H]3Cc4ncnc4CC3 Tox21_112441_1 -NCGC00259784-01 196722196 tox21-ror-cho-viability-p1 set3 4 9.5999345934 -13.3629483119 -4.674617156 -18.0375654679 0.4 0.3684249143 0.3200456765 -10.89212077 -3.35587493 -6.6026242 -3.79950572 -5.16002296 -10.58116419 -3.00407887 -9.74900465 -9.33516493 -2.22884763 -11.75306031 -13.16971624 -12.3350248 -13.36463789 -7.48331235 1.171E-9 2.6189999999E-9 5.856E-9 1.3089999999E-8 2.9279999999E-8 6.547E-8 1.464E-7 3.274E-7 7.3199999999E-7 0.000001637 0.00000366 0.0000081839999999 0.0000183 0.00004092 0.0000915 126-07-8 441140 144209433 A A Griseofulvin O=C2c3c(O[C@]12C(=CC(=O)C[C@H]1C)OC)c(Cl)c(OC)cc3OC Tox21_202235 -NCGC00091261-03 196727203 tox21-ror-cho-viability-p1 set3 4 -3.40498825 -3.82257422 -1.29163843 1.18956275 -6.53974029 -5.18731847 -0.7977945 -3.62439046 -4.95073542 0.72436644 0.40959146 -3.93019159 -0.85731743 -7.98223049 -8.22825542 1.1699999999E-9 2.6159999999E-9 5.849E-9 1.3079999999E-8 2.9239999999E-8 6.539E-8 1.462E-7 3.27E-7 7.311E-7 0.000001635 0.0000036549999999 0.0000081739999999 0.00001828 0.000040869999999 0.000091389999999 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00257042-01 196727195 tox21-ror-cho-viability-p1 set3 4 -1.66294878 0.55154427 1.06205744 6.10295325 1.07095147 5.84160808 9.59683701 6.45923298 0.78463993 8.41545884 -8.82695205 -1.07864238 0.0990551 0.65812635 0.45609403 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1120-36-1 14260 144213368 F Fns 1-Tetradecene CCCCCCCCCCCCC=C Tox21_303051 -NCGC00256856-01 196727193 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -15.784874568 2.5 -13.284874568 4.9549173134 0.701295612 0.0380784738 3.63357907 1.70311173 3.53888403 2.93036927 2.81167097 -0.384118 -0.64718373 -0.09248829 5.84616059 5.25889149 4.74526324 0.67422481 2.2334281 2.25151349 -9.40406214 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 564-20-5 929262 144212861 A A (3aR)-(+)-Sclareolide O=C1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O1 Tox21_302544 -NCGC00257214-01 196727197 tox21-ror-cho-viability-p1 set3 4 0.0030388771 -14.0433530719 10 -4.0433530719 1.287561 0.3451533112 0.3404614007 7.58364061 2.27650293 0.18303814 0.01911828 -4.01775867 -2.40941963 -13.78612756 -2.60765707 -3.95438176 -4.46248086 -13.64037167 4.13591529 -2.02467992 1.08657267 3.23813369 1.172E-9 2.6199999999E-9 5.858E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 94-81-5 7207 144213655 A A MCPB Clc1cc(C)c(OCCCC(=O)O)cc1 Tox21_303338 -NCGC00256574-01 196727205 tox21-ror-cho-viability-p1 set3 4 -1.478913 3.47268639 1.72822836 -2.4374337 1.29921088 -2.40088254 -3.41642432 -0.72062115 1.03706419 1.34751909 0.15968142 4.50841158 -1.68644726 4.24629193 1.77854345 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-14-7 7220 144213251 A A 1,2,3-Benzotriazole c1cccc2nnnc12 Tox21_302934 -NCGC00256531-01 196727209 tox21-ror-cho-viability-p1 set3 4 -0.23117908 -1.0461259 0.68744206 0.0499176 1.98496539 -2.43863528 0.34134615 2.24875828 -0.88594251 1.16031964 0.62176355 -1.13722367 0.5269965 1.92380681 2.08420854 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 693-98-1 12749 144213125 A A 2-Methylimidazole Cc1nccn1 Tox21_302808 -NCGC00256851-01 196727210 tox21-ror-cho-viability-p1 set3 4 -0.64464265 -0.12988121 -2.91597341 -2.12361712 -1.98488683 -2.5326937 -2.52965872 0.86271468 1.37182872 0.8848923 -0.07195563 -3.77381234 -3.21036462 0.26574478 -2.42777917 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 304-17-6 67535 144212790 A A N-Isopropylphthalimide CC(C)N2C(=O)c1ccccc1C2=O Tox21_302473 -NCGC00256372-01 196727621 tox21-ror-cho-viability-p1 set3 4 -2.50885072 -2.5806932 -0.96144662 -0.36246525 -3.94086128 0.44911142 -1.31113069 -8.88678346 -3.66817241 -0.20822764 0 -2.52731578 -3.32419922 1.97216367 -3.97027042 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 1936-15-8 9566064 144213336 A A C.I. Acid Orange 10 [Na+].[Na+].[O-]S(=O)(=O)c3cc(cc2ccc(O)c(/N=N/c1ccccc1)c23)S([O-])(=O)=O Tox21_303019 -NCGC00256725-01 196727624 tox21-ror-cho-viability-p1 set3 4 -0.68006476 0.10018677 2.37950932 0.47552246 4.65612561 3.41577206 0.91125373 6.68020574 2.40122645 6.43152547 4.56227258 4.92097584 2.85741284 5.18232349 0.12216063 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 933-48-2 1550823 144212900 A F (1R,5R)-3,3,5-trimethylcyclohexanol CC1(C)C[C@@H](C)C[C@@H](O)C1 Tox21_302583 -NCGC00260258-01 196724358 tox21-ror-cho-viability-p1 set3 4 1.2284029841 -5.957332164 2.5 -3.457332164 3.5117481694 0.4400078119 0.2349808975 -4.29923505 1.52355425 3.91725101 -0.59569007 5.05218127 0.2285998 2.58189266 6.04579006 6.49727922 -4.82021932 -3.22428622 -0.85172964 -7.46444347 -1.88188781 -3.09996517 1.187E-9 2.6549999999E-9 5.937E-9 1.3279999999E-8 2.968E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.421E-7 0.000001659 0.0000037109999999 0.000008297 0.00001855 0.00004149 0.00009276 56511-19-4 12059922 144209908 A A 1-Methyl-1-propylpyrrolidinium iodide [I-].C[N+]1(CCC)CCCC1 Tox21_202710 -NCGC00356990-01 196724359 tox21-ror-cho-viability-p1 set3 4 43.2771256911 -23.2319326559 -0.5 -23.7319326559 2.7202212143 0.5954563732 0.1001744711 -12.00680142 1.80923338 -3.83219452 -2.23432705 -3.58785748 -6.27012835 1.13721029 7.51500788 2.53874552 -0.98463692 1.44045505 2.96380605 1.59245377 -12.81477578 -20.60994388 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76703-62-3 6440554 251919709 F gamma-Cyhalothrin Cl\C(=C/[C@H]3[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc1ccccc1)c2)C3(C)C)C(F)(F)F Tox21_303815 -NCGC00259884-01 196708720 tox21-ror-cho-viability-p1 set2 1.1 15.934876206 126.8433123191 -8.5765957721 118.266716547 2.4063783767 0.9630528798 0.0000015704 1.41757848 0.40606502 2.63230101 3.54430721 -3.90843814 -12.18644021 -13.1548577 -19.80785186 -22.49587338 -19.10874957 -6.86522271 18.0638803 62.16604913 113.65635187 113.9371065 1.2169999999E-9 2.722E-9 6.086E-9 1.361E-8 3.0429999999E-8 6.804E-8 1.521E-7 3.402E-7 7.607E-7 0.0000017009999999 0.0000038039999999 0.000008505 0.000019019999999 0.00004252 0.00009509 51-21-8 3385 144209533 D 5-Fluorouracil FC1=CNC(=O)NC1=O Tox21_202335 -NCGC00259986-01 196708712 tox21-ror-cho-viability-p1 set2 4 -1.8974825 -3.97169197 1.51156834 -4.61618343 3.02244899 -1.2378133 -0.10028902 -2.26692384 -0.0137261 -1.13747848 2.53764623 1.13335348 4.60942883 4.42716557 1.96981436 1.172E-9 2.6199999999E-9 5.859E-9 1.31E-8 2.929E-8 6.55E-8 1.465E-7 3.275E-7 7.324E-7 0.0000016379999999 0.000003662 0.000008188 0.00001831 0.00004094 0.00009154 104-94-9 7732 144209635 A A 4-Methoxyaniline Nc1ccc(OC)cc1 Tox21_202437 -NCGC00259706-01 196708713 tox21-ror-cho-viability-p1 set2 4 -8.44946477 0.79062746 -1.84935073 -2.62507316 -7.77083023 -3.80920143 -1.89541788 3.2150911 4.29361637 2.77522595 -0.44689375 -7.69760279 4.09869744 -7.54056487 -8.25073665 1.19E-9 2.661E-9 5.951E-9 1.331E-8 2.975E-8 6.653E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.000003719 0.000008317 0.0000186 0.00004158 0.00009298 95-50-1 7239 144209355 AC Ac 1,2-Dichlorobenzene Clc1ccccc1Cl Tox21_202157 -NCGC00259804-01 196708714 tox21-ror-cho-viability-p1 set2 4 3.25670784 -0.43401701 -0.25738695 2.20998168 1.15152153 0.27642924 1.41835942 -0.86961447 2.54039208 2.47624799 3.11452117 -0.76708955 0.58344374 1.09524875 0.60699384 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.33E-7 7.446E-7 0.000001665 0.0000037229999999 0.000008324 0.00001861 0.00004162 0.000093069999999 126-00-1 67174 144209453 A A Diphenolic acid Oc1ccc(cc1)C(C)(CCC(=O)O)c2ccc(O)cc2 Tox21_202255 -NCGC00259287-01 196709131 tox21-ror-cho-viability-p1 set2 4 -0.08803387 1.35913209 -1.30799785 -3.20274171 -1.53178115 -1.32923506 -0.33273767 -0.98649592 -0.45565597 -1.17433732 -1.41920659 -0.00352264 -1.60720981 -0.22452719 3.30486174 1.1999999999E-9 2.684E-9 6.002E-9 1.3419999999E-8 3.0009999999E-8 6.711E-8 1.501E-7 3.355E-7 7.5029999999E-7 0.0000016779999999 0.0000037519999999 0.0000083889999999 0.00001876 0.000041939999999 0.00009379 25564-22-1 117549 144208936 A A 2-Pentyl-2-cyclopenten-1-one O=C1CCC=C1CCCCC Tox21_201738 -NCGC00259293-01 196709133 tox21-ror-cho-viability-p1 set2 4 9.65525867 5.37873675 8.34978744 7.05005733 3.0646628 0.85599801 4.3898744 3.38956799 1.24219751 0.76766449 4.02615693 4.54343533 4.57387987 8.70232473 7.53490215 1.194E-9 2.67E-9 5.9699999999E-9 1.335E-8 2.985E-8 6.6739999999E-8 1.4919999999E-7 3.337E-7 7.4619999999E-7 0.000001669 0.0000037309999999 0.000008343 0.00001866 0.00004171 0.00009328 1646-87-3 9568700 144208942 A A Aldicarb sulfoxide CC(C)(\C=N\OC(=O)NC)S(C)=O Tox21_201744 -NCGC00259130-01 196709138 tox21-ror-cho-viability-p1 set2 4 0.0233007937 6.0720892679 -6.5720892679 -0.5 4.9549173134 0.3460306268 0.3246489913 0.00582183 -0.9189339 -15.06007439 -11.5454296 -0.08527962 -0.76860423 -0.59532989 -0.2851617 1.63360776 -3.47076071 -3.00258554 -1.94909847 -0.29938653 1.04239814 1.25467274 1.1379999999E-9 2.544E-9 5.689E-9 1.2719999999E-8 2.844E-8 6.36E-8 1.422E-7 3.18E-7 7.111E-7 0.00000159 0.000003556 0.0000079509999999 0.00001778 0.00003975 0.00008889 7757-79-1 24434 144208779 Potassium nitrate [K+].[O-][N+]([O-])=O Tox21_201581 -NCGC00259168-01 196709144 tox21-ror-cho-viability-p1 set2 4 -0.43209901 -1.71266416 -1.38412753 -3.42596836 2.48061879 1.02487471 -0.85951466 1.6565304 0.07860756 2.73060273 1.00760125 0.39064094 -0.35719867 -0.65804079 -0.12628086 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 21725-46-2 30773 144208817 A A Cyanazine Clc1nc(NCC)nc(NC(C)(C)C#N)n1 Tox21_201619 -NCGC00016059-13 196705411 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -20.403690464 0.5 -19.903690464 4.9549173134 0.8810870878 0.000765061 0.57806369 -0.80218387 -0.97596309 0.42228796 -0.80370007 -0.11294263 -0.7109317 -0.56999427 -0.36262843 5.517554 0.93368227 0.97270508 0.94018422 -0.20405641 -16.58640872 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-52-2 5452 170465080 C Thioridazine CN4CCCCC4CCN1c3ccccc3Sc2ccc(SC)cc12 Tox21_110294_1 -NCGC00018221-08 196704588 tox21-ror-cho-viability-p1 set1 4 -1.33035208 -1.21319225 -4.18458259 -4.07486575 2.07409401 -3.94632635 -0.22133637 1.45168744 0.48525791 -1.0497416 -0.05490619 -1.3200921 1.5125055 -0.12942112 0.88808274 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00095089-10 196704989 tox21-ror-cho-viability-p1 set1 4 -1.53000352 -1.44138136 1.25941387 1.37602067 -0.21733443 -2.25392739 0.64286401 -1.7976267 -0.74070314 -2.83119897 1.43568805 -0.32521144 0.61804449 1.80823978 5.64011102 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 86386-73-4 3365 170464782 A Fluconazole OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F Tox21_111419_1 -NCGC00242597-01 196705009 tox21-ror-cho-viability-p1 set1 4 -7.91162184 -4.11276129 -1.70282374 -0.73086996 -2.45277134 -4.65128686 -4.4574901 -1.93226363 -1.87537785 -2.09218212 -2.07714366 0.90076641 0.57973391 -1.02232705 -0.3575884 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 361442-04-8 11243969 144206461 F F Saxagliptin O=C([C@@H](N)C13CC2CC(C1)CC(O)(C2)C3)N5[C@H](C#N)C[C@@H]4C[C@@H]45 Tox21_112908 -NCGC00256915-01 196718127 tox21-ror-cho-viability-p1 set2 4 -1.86048969 -2.0768726 0.0881025 -0.82049908 -1.69313112 -0.46407263 -0.51441286 6.48728237 0.04806389 0.87341109 0.10922993 -1.08073265 0.72643508 -0.88078317 -1.21083501 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 0.000091709999999 99-49-0 7439 144212864 A F dl-Carvone CC1=CCC(CC1=O)C(C)=C Tox21_302547 -NCGC00249894-01 196717710 tox21-ror-cho-viability-p1 set2 4 2.83342129 1.36654917 2.33876712 1.18016687 4.64909495 5.42320966 6.02309074 2.92064841 0.75088175 -2.38573389 0.41400325 1.42405592 -2.1012742 0.18981475 1.92880652 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 93390-81-9 56339 170465016 A Fosphenytoin OP(=O)(O)OCN1C(=O)C(NC1=O)(c2ccccc2)c3ccccc3 Tox21_113670 -NCGC00263548-01 196717715 tox21-ror-cho-viability-p1 set2 4 0.5955717307 -19.200832316 1 -18.200832316 1.331 0.9590194849 0.0000028155 0.34845924 2.09261613 -0.57789206 1.69757686 0.99745902 0.68731487 0.40569654 -1.93336685 -7.32260384 -8.82549075 -15.85172288 -18.37931364 -14.47906899 -16.21593263 -21.83402693 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 18556-44-0 5388983 170464977 A VINBLASTINE SULFATE O=S(=O)(O)O.O=C(OC)[C@@]2(C[C@@H]4C[C@@](O)(CC)C[N@](CCc1c3ccccc3nc12)C4)c5cc9c(cc5OC)N(C)[C@@H]6[C@]98CCN7CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]6(O)C(=O)OC)[C@H]78 Tox21_112735_1 -NCGC00090952-07 196717722 tox21-ror-cho-viability-p1 set2 4 9.8562788186 -14.383619592 4 -10.383619592 0.6999999999 0.6826450159 0.0566204119 1.84989208 2.96115451 3.40853113 2.84528483 5.1298756 5.27916331 4.70047326 6.2894492 0.25995947 -1.64316618 -0.61192357 -4.58533716 0.71949032 -9.48634966 1.96145157 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00256688-01 196718137 tox21-ror-cho-viability-p1 set2 4 -0.90692892 0.6525887 -3.74918748 -1.25346803 -4.88913382 -9.54982858 0.75490425 -0.16411985 -2.58230676 1.1480584 0.99976982 -0.69062065 -3.57292544 -0.45389325 -1.42989967 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 828-26-2 13233 144212898 A Ac Trithioacetone CC1(C)SC(C)(C)SC(C)(C)S1 Tox21_302581 -NCGC00257190-01 196718536 tox21-ror-cho-viability-p1 set2 4 -2.03626532 -0.46056719 1.94611348 0.0435199 2.91158502 1.71210381 3.83650222 2.59291738 2.74709859 1.61600293 4.21719769 5.3627636 0 -0.76375551 -0.33346553 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-60-0 7198 144213610 A A Dimethyl hexahydroterephthalate COC(=O)C1CCC(CC1)C(=O)OC Tox21_303293 -NCGC00257076-01 196718535 tox21-ror-cho-viability-p1 set2 4 -0.4151354 1.23517999 0.7374697 0.71900779 -0.8976039 1.65728942 -0.71845817 -0.39771085 -7.64563243 -0.64483502 -5.73680449 3.80143605 0.43902504 4.22822113 0.09579183 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-11-5 31244 144213648 A F 4-Methoxybenzaldehyde COc1ccc(C=O)cc1 Tox21_303331 -NCGC00258448-01 196715669 tox21-ror-cho-viability-p1 set2 4 0.0017421844 22.677235232 -21.177235232 1.5 2.3531167061 0.601327373 0.0962279099 -14.73102936 -3.84029361 -0.00638904 -0.67596462 -0.12862371 4.13794919 -0.06089129 5.34995844 -0.48874625 -4.9970859 -4.27482598 5.84027927 1.58955828 4.24957957 7.39975638 1.191E-9 2.664E-9 5.9569999999E-9 1.332E-8 2.978E-8 6.66E-8 1.489E-7 3.33E-7 7.446E-7 0.000001665 0.0000037229999999 0.0000083249999999 0.00001861 0.00004162 0.000093069999999 5589-96-8 542762 144208092 CC Bromochloroacetic acid BrC(Cl)C(=O)O Tox21_200894 -NCGC00254818-01 196715250 tox21-ror-cho-viability-p1 set2 4 6.5885154289 7.871150208 -1.371150208 6.5 4.9549173134 0.9304937995 0.0000510038 -1.60653678 -1.31354573 -0.9992579 -2.43525634 -0.10988407 -0.85177741 -1.5432016 0.34719879 -2.80929184 -1.59997032 -1.56751791 5.43771751 5.45306024 5.60486922 7.33471726 1.2559999999E-9 2.808E-9 6.2789999999E-9 1.404E-8 3.1399999999E-8 7.0199999999E-8 1.57E-7 3.5099999999E-7 7.849E-7 0.0000017549999999 0.000003924 0.000008775 0.00001962 0.00004388 0.00009811 88-82-4 6948 144211231 A A 2,3,5-Triiodobenzoic acid Ic1c(cc(I)cc1I)C(=O)O Tox21_300914 -NCGC00091351-03 196715654 tox21-ror-cho-viability-p1 set2 4 0.23746977 -0.32764586 0.34759688 -3.65036438 -4.52134405 -2.02001842 -4.24627252 0.15357779 -0.86952128 -1.14070977 0.07116532 0.06340713 0.44882682 3.86518655 0.4857631 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00258480-01 196715665 tox21-ror-cho-viability-p1 set2 4 -0.75803738 0.77577257 -7.22739808 -0.48799402 -1.64635431 -7.80421668 -1.72463368 -3.64921122 2.48403649 -0.71250249 -4.58193454 1.52132052 3.27223324 -5.2699893 3.40519386 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.0000016719999999 0.0000037379999999 0.000008358 0.00001869 0.00004179 0.00009344 25168-26-7 61286 144208124 Ac Ac 2,4-D isooctyl ester Clc1cc(Cl)ccc1OCC(=O)OCC(CC)CCCC Tox21_200926 -NCGC00258584-01 196715674 tox21-ror-cho-viability-p1 set2 4 1.37997074 0.35570999 0.76833508 1.63513437 0.05819764 3.70565627 0.95803517 -0.05682083 -8.6567958 0.24990117 -3.66699973 1.42783709 0.79237646 -0.0356015 -4.62976808 1.1919999999E-9 2.6649999999E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004163 0.000093099999999 112-37-8 8180 144208229 Ac Fc Undecanoic acid O=C(O)CCCCCCCCCC Tox21_201031 -NCGC00258702-01 196716070 tox21-ror-cho-viability-p1 set2 2.2 54.5380840886 45.4335530352 1.533943908 46.9674969432 2.7202212143 0.9523036583 0.0000065068 1.9927664 -0.47295158 1.55695254 1.47927305 5.87930617 2.35739211 6.23463438 1.28629569 2.09142983 -0.02004938 1.95814302 -1.22171341 0.88552785 16.89166103 37.93286754 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.00009229 6151-25-3 5284452 144208348 A A Quercetin dihydrate O.O.Oc1ccc(cc1O)C=3Oc2cc(O)cc(O)c2C(=O)C=3O Tox21_201150 -NCGC00183049-01 196697686 tox21-ror-cho-viability-p1 set1 -3 29.8492948118 -57.9670202561 -0.523477026 -58.4904972821 4.9549173134 0.9609475199 0.0000021453 0.14691739 -3.1925351 -8.09550846 2.3350212 -0.44818688 1.27508718 1.41988269 1.46220211 -2.67219385 -0.65574429 -1.36426703 -0.41030882 2.61152703 -7.07185994 -52.62324323 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 139233-53-7 60196351 144206852 Z Z Zelandopam Cl.Oc1ccc(cc1O)[C@H]3CNCc2c3ccc(O)c2O Tox21_113301 -NCGC00255433-01 196700998 tox21-ror-cho-viability-p1 set1 4 16.0763911485 -12.46225814 0 -12.46225814 2.2526478767 0.6954575126 0.0403851519 2.48642113 0.43418834 -1.80882999 1.29936823 -1.4443133 0.2599622 -1.76671716 -1.95630606 -1.46456027 -2.25206536 5.93746386 -1.9162502 -10.26608869 -6.17006061 -14.96854845 1.226E-9 2.741E-9 6.129E-9 1.37E-8 3.064E-8 6.852E-8 1.532E-7 3.426E-7 7.661E-7 0.000001713 0.00000383 0.0000085649999999 0.000019149999999 0.000042829999999 0.00009576 283594-90-1 9907412 144211550 F F Spiromesifen CC(C)(C)CC(=O)OC2=C(C(=O)OC12CCCC1)c3c(C)cc(C)cc3C Tox21_301233 -NCGC00256277-01 196701008 tox21-ror-cho-viability-p1 set1 4 24.3365162115 15.188517652 -7.188517652 8 0.8999999999 0.7808260225 0.0117277449 -5.69044246 -6.56495755 -6.41697666 -6.48033665 -8.84868094 -10.57376471 -7.50189862 -4.33509829 -7.62790409 -2.2627319 -7.41194015 -2.47261355 -0.03648589 -0.41675428 6.69370724 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59719-67-4 108381 144211985 F F Bis{2-[2-(propan-2-yl)-1,3-oxazolidin-3-yl]ethyl} hexane-1,6-diylbiscarbamate CC(C)C2OCCN2CCOC(=O)NCCCCCCNC(=O)OCCN1CCOC1C(C)C Tox21_301668 -NCGC00255546-01 196701413 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -12.200097836 -0.5 -12.700097836 4.9549173134 0.6468002548 0.0674378441 0.5324157 -0.08361658 0.18605607 0.02810023 0.5529648 -0.21360123 -3.59507828 2.05456853 0.88084073 -4.22162327 0.42910768 -2.31217758 -0.28778324 1.09760298 -9.75008153 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1469-48-3 92888 144212360 A A cis-1,2,3,6-Tetrahydrophthalimide O=C1NC(=O)[C@@H]2CC=CC[C@H]12 Tox21_302043 -NCGC00260641-01 196723843 tox21-ror-cho-viability-p1 set3 4 0.1059092946 6.2153841559 -0.7153841559 5.5 4.9549173134 0.7449323009 0.0214238932 1.14208631 -0.4808124 2.33520995 -3.51282013 0.01800537 -2.76193748 -1.22178588 6.43444037 4.65518983 5.74552566 5.15951233 5.67604375 2.22006485 6.88987024 5.2552195 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49537 144210294 M M NTP Mix82 ER AR1 18-EQC Tox21_203096 -NCGC00260195-01 196723851 tox21-ror-cho-viability-p1 set3 -2.1 61.6904908231 -122.3522640895 2.2581802034 -120.0940838861 4.9549173134 0.9890767802 1.4E-9 -6.02065257 3.69826343 1.16356741 3.81363729 0.97878175 1.45275518 4.45342346 3.60228763 3.12500805 2.33540694 4.79411603 7.00593796 -0.41802076 -11.43615488 -105.90307221 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.971E-8 6.6439999999E-8 1.486E-7 3.3219999999E-7 7.429E-7 0.0000016609999999 0.000003714 0.000008305 0.00001857 0.00004153 0.00009286 244193-64-4 18506491 144209845 A A 1-Hexadecyl-3-methylimidazolium tetrafluoroborate F[B-](F)(F)F.C[n+]1ccn(CCCCCCCCCCCCCCCC)c1 Tox21_202647 -NCGC00016347-07 196697685 tox21-ror-cho-viability-p1 set1 4 -4.28187976 -0.68643135 0.10860024 -0.6492906 -0.40794967 -1.84720296 0.4010129 -1.96906549 1.01658743 -1.3913836 -3.67586352 -1.80185463 -1.96573704 0.30118936 0.96932101 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 91-33-8 2343 170465246 A Benzthiazide NS(=O)(=O)c3cc1c(N=C(NS1(=O)=O)CSCc2ccccc2)cc3Cl Tox21_110387_1 -NCGC00344560-01 196697687 tox21-ror-cho-viability-p1 set1 4 0.0016785492 -10.863798344 9.5 -1.363798344 0.4 0.4677493711 0.227861493 3.00010139 8.34708896 3.10833431 1.15911775 1.06363979 1.31471628 0.44050295 -0.67022468 0.48022543 3.42502965 -4.88649862 1.82497999 -1.77028733 -2.09731642 2.31914301 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 566-48-3 11273 170466203 A 4-Hydroxyandrostenedione O=C2CC[C@H]3[C@@H]4CCC1=C(O)C(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_112111_1 -NCGC00159406-12 196697689 tox21-ror-cho-viability-p1 set1 4 1.48829793 -1.66924031 -4.36106234 -2.23951313 -3.30354441 -2.6944283 -3.25061127 -3.00356731 -4.43615397 1.86262543 -4.14833979 -2.08744937 -4.27563524 1.61189458 -3.97597662 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69815-49-2 12305037 170465227 Z Noradrenaline bitartrate monohydrate Oc1ccc(cc1O)[C@@H](O)CN.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O Tox21_111640_1 -NCGC00091602-02 196697696 tox21-ror-cho-viability-p1 set1 4 -2.75000203 1.16978782 1.93416056 0.99559036 3.82790864 1.28404611 -0.00036696 4.70038095 2.17273315 2.73724847 3.86982428 6.31604606 2.84542718 1.37608719 -4.37219415 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00249902-01 196698114 tox21-ror-cho-viability-p1 set1 4 -5.52093715 -0.23378244 -1.05475655 -2.84468262 -4.58042135 -3.0450975 0.15310046 -1.90831479 -5.18724724 -5.17148747 -3.19628122 -5.86935966 -2.65120493 -2.42702516 -1.19163889 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98123-83-2 72026 170465737 A F Epsiprantel O=C2CN(CC1c3ccccc3CCCN12)C(=O)C4CCCCC4 Tox21_113678 -NCGC00256149-01 196728874 tox21-ror-cho-viability-p1 set3 4 0.2224710626 4.6664558241 0.8335441759 5.5 2.3331733767 0.392779188 0.281492942 3.21453167 2.20270785 -2.22204652 0.72212516 0.53110826 1.64151098 4.68339609 2.52411724 11.19161616 5.18587739 9.6362942 2.69075381 2.37459883 4.36087395 3.68665018 2.359E-9 5.276E-9 1.18E-8 2.638E-8 5.899E-8 1.3189999999E-7 2.949E-7 6.595E-7 0.000001475 0.000003297 0.0000073729999999 0.000016489999999 0.00003687 0.000082439999999 0.0001843 25620-58-0 76714 144212046 A A Trimethylhexane-1,6-diamine CC(CC(C)(C)CCN)CN Tox21_301729 -NCGC00255414-01 196728870 tox21-ror-cho-viability-p1 set3 4 -1.28637417 0.88102476 -2.52712141 -1.2949163 -1.48582837 -0.13613616 0.65436247 -2.82474454 -1.45335647 1.62664864 -4.39853555 -2.15917823 -3.5872715 -3.31345633 -5.19832899 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-52-9 7337 144212445 A A 2-Methoxy-4-nitroaniline Nc1ccc(cc1OC)[N+]([O-])=O Tox21_302128 -NCGC00256277-01 196728872 tox21-ror-cho-viability-p1 set3 4 12.1971512362 16.619725916 -1.619725916 15 2.7202212143 0.695340543 0.0493845116 -0.25462645 3.87610451 -5.00076829 -4.06051021 -7.18310493 -2.80141988 5.99641134 -3.38339904 -1.49919272 -4.27065812 0.75785593 0.61676908 12.47767656 13.80523334 4.04119302 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59719-67-4 108381 144211985 F F Bis{2-[2-(propan-2-yl)-1,3-oxazolidin-3-yl]ethyl} hexane-1,6-diylbiscarbamate CC(C)C2OCCN2CCOC(=O)NCCCCCCNC(=O)OCCN1CCOC1C(C)C Tox21_301668 -NCGC00042134-04 196726037 tox21-ror-cho-viability-p1 set3 4 -0.97349251 -4.24799703 2.35178658 1.95728953 -4.02009711 -1.00176096 -0.51434498 -2.32448159 -0.53181918 -1.6847503 0.06122202 -3.54140476 1.88926929 -0.59750938 0.48776055 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2901-75-9 2000 170466474 A Afalanine O=C(O)C(NC(C)=O)Cc1ccccc1 Tox21_110975_1 -NCGC00167523-03 196725213 tox21-ror-cho-viability-p1 set3 3 33.4914596268 65.0979901798 -3.9748930159 61.1230971639 4.9549173134 0.8350235979 0.0034540228 -0.9347392 -4.1590779 -0.36350033 9.47956437 2.60813753 -1.91233215 -3.96429118 -3.59997407 -4.84672434 -4.70937017 -7.29429753 -4.61433654 -19.45787825 -6.43365507 53.03919431 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6981-18-6 23418 170465718 A Ormetoprim Nc2nc(N)ncc2Cc1cc(OC)c(OC)cc1C Tox21_112520_1 -NCGC00091231-04 196725615 tox21-ror-cho-viability-p1 set3 4 0.0334914596 8.621308088 0.378691912 9 1.8851180601 0.6357152389 0.0731590224 -3.01775674 4.94709606 -1.49128376 1.16147205 1.24038125 4.62180544 7.35676442 10.67143853 3.85517836 13.61089734 5.34847523 8.06738566 8.26969102 14.08908922 8.36912717 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56-54-2 5953 170465031 A Quinidine COc1cc2c(cc1)nccc2[C@H](O)[C@H]4CC3CCN4C[C@@H]3C=C Tox21_111720_1 -NCGC00319023-02 196725623 tox21-ror-cho-viability-p1 set3 4 4.58906897 2.28950197 -4.24920482 -4.23437674 1.024829 3.57108337 1.36827709 0.51256008 0.36134409 6.06806561 -4.85666637 6.64451881 -0.34395944 -0.28382206 2.49219538 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_57603 80274 170466633 A F R-Lotrafiban O=C(c1ccc2N[C@@H](CC(=O)O)C(=O)N(C)Cc2c1)N3CCC(CC3)C4CCNCC4 Tox21_113990 -NCGC00160613-02 196726038 tox21-ror-cho-viability-p1 set3 4 0.6682424727 6.480286672 -2.980286672 3.5 4.9549173134 0.3617813873 0.3092906111 0 0 -2.55784184 -0.61518012 -8.67974744 1.96794338 -10.81690556 2.99499541 -9.14388527 2.65621873 2.18217821 4.87839893 1.46889389 3.96328259 3.45318931 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98-79-3 7405 170466347 A Pidolic acid O=C(O)[C@@H]1CCC(=O)N1 Tox21_111936_1 -NCGC00095933-04 196726045 tox21-ror-cho-viability-p1 set3 4 0.0007497804 13.5319059719 -14.5319059719 -1 0.5 0.336412097 0.3506768091 -4.04057473 -13.77658831 -2.39662028 -4.88886315 -2.50176655 -4.85063054 -2.33893815 1.73025385 -4.36960124 -2.28562167 -0.29773221 1.63438512 -1.77720692 -4.13590136 -11.72307401 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 133-11-9 8609 170465273 A Phenyl 4-aminosalicylate Oc2cc(N)ccc2C(=O)Oc1ccccc1 Tox21_111538_1 -NCGC00256721-01 196726449 tox21-ror-cho-viability-p1 set3 4 0.0432771257 5.8211247559 -2.8211247559 3 0.5999999999 0.4316987648 0.2450020472 0.04396256 -6.93427063 0.32358289 0.42518001 0.65551221 -2.84424462 2.46437301 3.17647168 0.23892016 2.47262819 5.82499581 0.44330263 2.42965824 2.29598351 4.05538767 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3811-04-9 6426889 144212840 Potassium chlorate [K+].[O-]Cl(=O)=O Tox21_302523 -NCGC00091380-04 196726450 tox21-ror-cho-viability-p1 set3 4 0.66845856 1.59672675 -1.21166949 1.42221329 2.54257607 0.13782332 2.21144619 -0.55892511 1.15686654 2.20816485 0.34011805 1.74795904 -0.41669579 1.15464702 0.41902014 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00257367-01 196726457 tox21-ror-cho-viability-p1 set3 4 27.3060203028 -15.8144510879 1 -14.8144510879 1.4163171 0.8328141884 0.0037110901 1.98637478 0.18605001 -0.74907978 0.29088577 1.17471857 -0.54027719 1.82529751 2.60199973 2.13430267 2.44962294 1.84344918 -6.14514642 -1.31789733 -9.63683651 -13.17870924 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 486-66-8 5281708 144213952 A A Daidzein Oc1ccc(cc1)C3=COc2cc(O)ccc2C3=O Tox21_303650 -NCGC00094532-06 196726866 tox21-ror-cho-viability-p1 set3 4 -8.64980459 2.43171338 4.47451377 -8.52050544 1.13411332 3.21351265 0 -13.79257847 0 0 0 0.33785976 3.03133888 2.87817796 -9.53204024 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00257469-01 196707080 tox21-ror-cho-viability-p1 set1 4 30.5444110439 12.246832576 -0.246832576 12 1.5385888099 0.6232738482 0.0816166673 1.51113109 0.02980307 3.187054 0.12840747 0.30047072 1.56090605 0.01212201 0.19423942 -5.62236048 -3.77596496 -1.86113748 1.20260976 6.56928047 4.14701157 11.07173561 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.000091989999999 111-55-7 8121 144213739 F A 1,2-Ethanediol diacetate CC(=O)OCCOC(=O)C Tox21_303428 -NCGC00255260-01 196710786 tox21-ror-cho-viability-p1 set2 4 4.805748 2.03068913 3.83112208 0.3702904 0.53013027 -0.13560714 0.71703339 1.73959514 0.09986455 -1.05493912 -0.42710028 -1.62998959 3.72606145 -1.31767538 1.98946045 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 593-08-8 11622 144212155 A F 2-Tridecanone CC(=O)CCCCCCCCCCC Tox21_301838 -NCGC00255123-01 196710806 tox21-ror-cho-viability-p1 set2 -1.2 34.3762428541 -32.0731540703 -1.5 -33.5731540703 4.9549173134 0.9739697811 2.168E-7 -6.25228105 -0.14772342 -1.00510092 -2.63420551 -1.27938711 -1.91409655 -0.67270051 -0.99068117 -1.2672718 0.85070936 -0.15188645 -1.08812721 -3.08309382 -25.81925351 -34.97203549 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84-16-2 192197 144211773 A A meso-Hexestrol Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c2ccc(O)cc2 Tox21_301456 -NCGC00256178-01 196710807 tox21-ror-cho-viability-p1 set2 4 0.81518368 0.21460182 0.62784767 1.49616057 2.90212548 0.40073854 1.89048267 2.23719054 1.88717287 0.50151505 0.64400824 1.01595661 -0.83255538 0.25685326 3.74451347 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69852-45-5 112322 144212066 A Ac 3-{[3-(Dimethylamino)propyl]amino}propanenitrile CN(C)CCCNCCC#N Tox21_301749 -NCGC00259755-01 196706253 tox21-ror-cho-viability-p1 set1 4 33.6085883476 20.711080436 -10.711080436 10 0.8999999999 0.5218775047 0.1591620773 -8.13892651 -12.5761053 -15.81597762 -9.11332079 -7.26642573 -10.47769604 -10.26340641 -11.41707417 -6.84723519 -20.59256703 -5.02164267 1.17223051 -5.71507876 -5.45944637 9.407083 1.158E-9 2.589E-9 5.79E-9 1.2949999999E-8 2.8949999999E-8 6.473E-8 1.447E-7 3.2369999999E-7 7.237E-7 0.000001618 0.000003619 0.000008091 0.000018089999999 0.00004046 0.000090469999999 822-06-0 13192 144209404 FC 1,6-Diisocyanatohexane O=C=N/CCCCCC\N=C=O Tox21_202206 -NCGC00259449-01 196706665 tox21-ror-cho-viability-p1 set1 4 15.4803126886 7.958078032 -10.020546304 -2.062468272 3.9294729863 0.5388072227 0.1458457703 -9.63129888 -3.78313636 -11.93218422 -13.11628131 -11.3038715 -5.54141937 -8.90747644 -10.74903346 -9.4234015 -10.76004055 -15.01712192 -8.39658602 -5.09519759 -0.46872356 -3.14146736 1.188E-9 2.656E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.639E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.0000037109999999 0.000008299 0.00001856 0.00004149 0.00009278 124-22-1 13583 144209098 A Ac 1-Dodecanamine CCCCCCCCCCCCN Tox21_201900 -NCGC00259117-01 196706677 tox21-ror-cho-viability-p1 set1 4 21.9770062911 11.5789812719 -10.1599397279 1.419041544 0.9641 0.5463016727 0.1394565616 -12.04691336 -7.57602525 -14.45660466 -10.9573664 -14.71661644 -7.0630052 -7.91130536 -3.55738725 -11.43057864 -10.45250507 -7.04873663 -8.29837732 -5.15530506 -2.64109805 -0.06746538 1.193E-9 2.667E-9 5.963E-9 1.333E-8 2.982E-8 6.6669999999E-8 1.491E-7 3.3339999999E-7 7.4539999999E-7 0.0000016669999999 0.0000037269999999 0.0000083339999999 0.00001864 0.00004167 0.00009318 97-86-9 7352 144208766 AC Isobutyl methacrylate CC(=C)C(=O)OCC(C)C Tox21_201568 -NCGC00256416-01 196707081 tox21-ror-cho-viability-p1 set1 4 0.0216899429 -9.045868132 -3.407400924 -12.453269056 4.9549173134 0.3946099271 0.2771089688 -8.58875272 -1.87986883 -2.78502582 -0.33950077 -13.64684731 -13.2501414 -3.47581465 -10.53985307 -19.07881869 -11.86829389 -20.79439088 -17.93863535 -6.92870223 -7.03358875 -11.04012406 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15687-27-1 3672 144213146 A A Ibuprofen CC(C(=O)O)c1ccc(CC(C)C)cc1 Tox21_302829 -NCGC00256601-01 196707083 tox21-ror-cho-viability-p1 set1 4 -2.4603884 -2.44564744 0.61900007 -1.58571706 0.11369608 -0.30311616 0.90151313 -0.86648724 -0.00888678 0.58936638 0.71408503 0.38917013 -1.53767252 -0.98914614 -0.41568656 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25812-30-0 3463 144213101 A A Gemfibrozil O=C(O)C(C)(C)CCCOc1cc(C)ccc1C Tox21_302784 -NCGC00257439-01 196707093 tox21-ror-cho-viability-p1 set1 4 1.39988438 2.06017954 2.81732964 1.1436553 1.78341395 1.39074289 1.48300779 0.04770468 -2.31479578 -1.02128538 0.51005592 2.00727458 1.60763928 0.46955705 -3.10200678 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13826-35-2 26295 144213876 A A 3-Phenoxybenzenemethanol OCc2cc(Oc1ccccc1)ccc2 Tox21_303571 -NCGC00257495-01 196707486 tox21-ror-cho-viability-p1 set1 4 43.2771256911 9.8114881401 0.1885118599 10 0.8999999999 0.4658707695 0.2127069332 1.63156281 3.01888602 0.75947209 1.0682187 1.72892727 -5.25957345 -0.07001751 0.0063117 0.1161038 -0.90649007 0.66170156 4.72146852 3.90958424 1.82972464 8.28483123 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 120-92-3 8452 144213867 A Ac Cyclopentanone O=C1CCCC1 Tox21_303562 -NCGC00255229-01 196707493 tox21-ror-cho-viability-p1 set1 4 34.3762428541 -9.865486696 3 -6.865486696 1.1340999999 0.6929674344 0.0423077631 -0.13113936 2.79031808 3.12223153 2.48703994 4.70506464 4.79387899 4.50458284 5.11590174 1.36100651 3.89803652 2.30339213 -1.09181926 1.90846941 -3.03842948 -4.88790558 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52-01-7 5833 144212471 F A Spironolactone CC(=O)S[C@@H]4CC1=CC(=O)CC[C@]1(C)[C@H]5CC[C@@]3(C)[C@@H](CC[C@]23CCC(=O)O2)[C@H]45 Tox21_302154 -NCGC00166141-06 196716918 tox21-ror-cho-viability-p1 set2 4 2.93132305 -0.29051714 2.57775426 2.21181695 4.61404029 2.97369954 4.80970137 0.61472184 -0.57832374 2.46023519 3.54274293 2.76345692 -0.91892189 0.17919258 3.0594895 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3505-38-2 5282409 170465237 A Carbinoxamine maleate O=C(O)/C=C\C(=O)O.Clc1ccc(cc1)C(OCCN(C)C)c2ccccn2 Tox21_112336_1 -NCGC00021125-03 196716920 tox21-ror-cho-viability-p1 set2 4 -1.00997846 2.16919705 -1.16889003 -2.94462569 2.80239809 -0.34414495 -3.09713752 3.64912844 -3.16325001 -1.75090026 -1.51627035 -3.13892878 -0.5030087 -1.52416392 0.39834897 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15307-79-6 5018304 170464642 A Diclofenac sodium [Na+].Clc2cccc(Cl)c2Nc1ccccc1CC([O-])=O Tox21_110770_1 -NCGC00247682-01 196716916 tox21-ror-cho-viability-p1 set2 -2.4 17.3751792157 -19.1960582719 -2.91021308 -22.1062713519 1.21 0.951817293 0.0000069251 -3.68889341 -5.05920952 -3.62900834 -2.52071261 -0.7585109 -2.01662361 -4.15637414 -2.23239279 -2.54517949 -2.48333309 -4.9790533 -10.9910681 -13.36918473 -16.07791104 -21.33855946 1.3079999999E-9 2.924E-9 6.5389999999E-9 1.4619999999E-8 3.269E-8 7.31E-8 1.635E-7 3.655E-7 8.173E-7 0.000001828 0.0000040869999999 0.000009138 0.00002043 0.00004569 0.0001022 55096-75-8 60196314 144206384 A A L-alpha-Acetyl-N-normethadol hydrochloride Cl.C[C@@H](NC)CC(c1ccccc1)(c2ccccc2)[C@@H](OC(C)=O)CC Tox21_112831 -NCGC00247687-01 196716917 tox21-ror-cho-viability-p1 set2 4 13.7889343881 -12.5858918639 -2 -14.5858918639 1.6604358099 0.6275478173 0.0915877682 -3.21402611 -3.52030317 -4.03454297 -6.85486322 -0.06703332 1.09993609 -2.71535132 -2.13222831 -2.93207675 2.38935901 -7.19027635 -4.31600905 -10.5825173 -12.98824322 -4.70767115 1.307E-9 2.922E-9 6.533E-9 1.461E-8 3.266E-8 7.3039999999E-8 1.6329999999E-7 3.652E-7 8.1659999999E-7 0.000001826 0.000004083 0.00000913 0.00002041 0.00004565 0.00010209999999 78995-18-3 60196316 144206390 A A dl-cis-3-Methylfentanyl hydrochloride Cl.CCC(=O)N([C@@H]2CCN(CCc1ccccc1)C[C@@H]2C)c3ccccc3 Tox21_112837 -NCGC00164491-02 196717319 tox21-ror-cho-viability-p1 set2 4 0.77316337 1.85163134 -0.36007839 3.07157287 2.00162006 0.46715621 2.303289 4.4937857 2.91931101 4.13683755 3.8009242 1.4446261 2.44753029 0.45393357 2.48437383 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59160-29-1 42963 170466325 D Lidofenin O=C(Nc1c(C)cccc1C)CN(CC(=O)O)CC(=O)O Tox21_112129_1 -NCGC00024930-03 196717322 tox21-ror-cho-viability-p1 set2 4 23.7101376556 -19.5181462879 3 -16.5181462879 1.8579476909 0.7170689741 0.031100645 0.40679079 -0.47145627 1.1232646 1.12341994 7.37575924 6.47783561 8.51146254 4.35391595 2.99226371 0.01425753 1.99713685 1.08669013 0.10492507 -4.9367501 -12.09845524 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69-27-2 6243 170466099 F Chlorisondamine chloride [Cl-].[Cl-].C[N+](C)(C)CC[N+]1(C)Cc2c(Cl)c(Cl)c(Cl)c(Cl)c2C1 Tox21_112032_1 -NCGC00263656-01 196717329 tox21-ror-cho-viability-p1 set2 4 13.3331902297 -11.2202355919 0 -11.2202355919 3.9899729863 0.6246895662 0.0937125009 1.29921918 -0.18372397 2.88149725 1.99762035 -5.23080153 -2.63412071 0.23590955 -2.44287389 0.83444179 2.80730843 -0.36022149 -0.00203328 0.58293313 -12.68352966 1.11959138 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 630-60-4 439501 170465763 A Ouabain O=C1C=C(CO1)[C@H]2CC[C@]3(O)[C@@H]4CC[C@]5(O)C[C@H](C[C@@H](O)[C@]5(CO)[C@H]4[C@H](O)C[C@]23C)O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O Tox21_112057_1 -NCGC00164590-02 196717337 tox21-ror-cho-viability-p1 set2 4 21.1316824289 -14.889516264 0 -14.889516264 3.0654483358 0.6881232355 0.0439314425 -6.47367497 -0.31027746 0.72356472 -4.94468723 1.40813355 4.19412764 1.2072277 0.76752685 -0.12631953 -0.22374755 0.04029583 0.76646704 1.10006214 -7.89348177 -13.65793022 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67392-87-4 68873 170464870 A Drospirenone O=C1CC[C@]6(O1)[C@H]2C[C@H]2[C@H]5[C@@H]7[C@H]3C[C@H]3C4=CC(=O)CC[C@]4(C)[C@H]7CC[C@@]56C Tox21_112216_1 -NCGC00247336-02 196717734 tox21-ror-cho-viability-p1 set2 4 1.93448123 -6.30595957 -4.10384384 -7.79233646 -3.63833878 0.36237971 1.11998354 1.67404076 -1.88567897 -3.33091836 -1.69921384 -2.85153139 -3.3370993 -1.51129844 0.36635336 1.164E-9 2.6039999999E-9 5.822E-9 1.302E-8 2.911E-8 6.509E-8 1.4549999999E-7 3.255E-7 7.2769999999E-7 0.0000016269999999 0.000003639 0.000008136 0.00001819 0.00004068 0.000090969999999 795-38-0 5492898 144206438 A A Dihydroisocodeine COc1ccc2C[C@H]4N(C)CC[C@@]35[C@@H](Oc1c23)[C@H](O)CC[C@@H]45 Tox21_112885 -NCGC00090721-03 196717735 tox21-ror-cho-viability-p1 set2 4 -2.72328413 -0.0554185 -1.05676245 -6.41266838 -2.3400378 -0.82325818 0.99985325 -0.87741513 -0.47825199 -2.81714009 -0.68899125 -0.92893736 -0.35120511 -0.19823799 -0.21101574 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00159417-06 196718166 tox21-ror-cho-viability-p1 set2 -2.1 44.2913331849 -73.5676149102 -1.953900253 -75.5215151632 2.2526478767 0.9832848408 1.68E-8 -0.24900398 0.12876377 -0.20679602 -5.00410544 -5.12198276 -0.19648876 -3.40367641 -2.96815275 -1.11886483 -6.55866636 0.06628599 -0.42267438 -9.96172143 -36.92829298 -64.41023876 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008409 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00256749-01 196718572 tox21-ror-cho-viability-p1 set2 4 3.4166596305 4.5824986599 -2.0824986599 2.5 4.9549173134 0.4366562136 0.2395209087 1.00317368 0.66947274 1.8820945 -2.84977554 -5.48541555 -2.62370769 -2.39790695 -1.66439359 -4.73689228 -5.00472934 0.23870636 6.80692665 2.38060587 0.94335827 0.72856011 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 0.000091709999999 112226-61-6 114994 144212972 A A Halofenozide O=C(NN(C(=O)c1ccccc1)C(C)(C)C)c2ccc(Cl)cc2 Tox21_302655 -NCGC00255571-01 196700201 tox21-ror-cho-viability-p1 set1 4 28.6809215113 -11.8360058879 0.5 -11.3360058879 3.0654483358 0.8875728719 0.0005940594 -0.18447177 -1.17235115 0.29005584 0.55499231 0.1231947 1.81133854 -0.6396426 -0.41372041 0.78128187 2.99114693 1.09142149 1.54628902 0.13009385 -5.01517806 -9.86333824 7.6089999999E-10 1.701E-9 3.805E-9 8.507E-9 1.9019999999E-8 4.254E-8 9.512E-8 2.127E-7 4.756E-7 0.0000010629999999 0.000002378 0.000005317 0.00001189 0.000026589999999 0.00005945 3521-62-8 441371 144212546 D Erythromycin estolate O=S(=O)(O)OCCCCCCCCCCCC.CCC(=O)O[C@@H]3[C@H](C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](C)[C@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)N(C)C Tox21_302229 -NCGC00254224-01 196699774 tox21-ror-cho-viability-p1 set1 4 34.3762428541 10.610359796 -1.610359796 9 2.9022712143 0.8159850316 0.0057244051 -2.85231598 0.57178671 -4.67529983 -1.66682046 -2.30193065 -1.89884918 -1.50264201 -1.30917261 0.95970846 0.54856509 -1.71667243 -1.90793363 0.21584782 4.87461684 8.65544351 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84-75-3 6786 144210485 A A Dihexyl phthalate O=C(OCCCCCC)c1ccccc1C(=O)OCCCCCC Tox21_300165 -NCGC00256299-01 196700193 tox21-ror-cho-viability-p1 set1 4 -2.2525431 -1.80390727 -3.58676043 -2.02747433 -2.26889922 -0.15351588 -1.68924288 -0.28100115 -3.53409531 -3.13439545 -1.25788744 0.62788834 3.01905347 0.15096266 6.27923918 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 5187-23-5 78860 144211716 A A (5-Ethyl-1,3-dioxan-5-yl)methanol OCC1(CC)COCOC1 Tox21_301399 -NCGC00255122-01 196700194 tox21-ror-cho-viability-p1 set1 4 10.8707224818 16.801904488 -7.801904488 9 0.2 0.4715010116 0.2058662348 -3.66386005 -5.19161979 -6.20296669 -5.90920057 -6.24336071 -1.036405 -1.60923904 -1.73857673 0.09168345 -1.56042356 3.77355851 -6.91825374 0.69679091 0.38645437 6.2719784 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 29122-68-7 2249 144212743 B A Atenolol CC(C)NCC(O)COc1ccc(cc1)CC(N)=O Tox21_302426 -NCGC00255414-01 196700596 tox21-ror-cho-viability-p1 set1 4 -1.55188889 -1.33674567 -4.05015763 -1.25261438 0.45137683 -2.32215199 -1.56579038 -3.40718029 -1.38107954 -2.38744034 -0.55065534 -5.34117032 -0.58229104 0.0768191 -1.99864584 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-52-9 7337 144212445 A A 2-Methoxy-4-nitroaniline Nc1ccc(cc1OC)[N+]([O-])=O Tox21_302128 -NCGC00164164-02 196700606 tox21-ror-cho-viability-p1 set1 4 43.2771256911 8.399388688 -0.899388688 7.5 3.5117481694 0.4592722204 0.2182003798 -0.05685164 -4.46783643 0.04322307 3.53651676 -2.94297004 0.59405205 0.92993469 0.5107283 0.23286676 -2.36695756 -6.16615724 -0.2028128 -2.5128582 3.24124245 6.86669885 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00260278-01 196723877 tox21-ror-cho-viability-p1 set3 4 -5.83482775 5.15595682 -5.88480942 1.92111452 7.34478146 4.66345243 1.72871862 1.41304358 1.54304576 2.90881543 8.8928346 -3.24268474 6.8077116 0.97082084 7.94697686 5.869E-11 1.312E-10 2.9349999999E-10 6.562E-10 1.467E-9 3.2809999999E-9 7.3359999999E-9 1.64E-8 3.6679999999E-8 8.2019999999E-8 1.834E-7 4.101E-7 9.171E-7 0.000002051 0.000004585 10039-54-0 24846 144209928 Hydroxylamine sulfate (2:1) [NH3+]O.[NH3+]O.[O-]S([O-])(=O)=O Tox21_202730 -NCGC00025200-02 196723045 tox21-ror-cho-viability-p1 set3 4 0.0007497804 16.4744037079 -16.4744037079 0 4.0949729863 0.6377306335 0.0723339269 -12.06200309 -1.38656578 -1.37579334 0 -1.46284438 -1.0157885 0 -3.60730917 2.04620552 1.55998793 5.87960303 2.00757927 -0.65373776 -3.15698476 -1.59095622 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 39731-05-0 193949 170466622 A SDZ 21009 CC(C)(C)NCC(O)COc2cccc1nc(cc12)C(=O)OC(C)C Tox21_113583_1 -NCGC00180889-03 196723053 tox21-ror-cho-viability-p1 set3 4 3.7578035763 -10.473505572 5 -5.473505572 4.9549173134 0.4323330152 0.258122462 6.43003784 -4.79989197 8.79267059 1.82066555 13.70495533 4.69793451 5.02505339 4.79888815 -1.32329184 5.00506562 9.92066182 -1.38806076 -6.22792131 -4.85565453 11.86632251 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 42461-84-7 60196270 170466598 A Flunixin meglumine CNC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO.FC(F)(F)c2cccc(Nc1ncccc1C(=O)O)c2C Tox21_110782_1 -NCGC00259806-01 196723870 tox21-ror-cho-viability-p1 set3 -2.2 34.306336922 -29.378304364 -2 -31.378304364 1.9673362061 0.8406231901 0.0029685029 -5.44487366 -6.85976078 -1.31450471 -0.62104644 1.73131356 -6.06633483 2.19027868 1.69659141 -7.08573737 1.89367534 -2.52304574 -4.82817611 -9.89399764 -15.75300986 -31.14858697 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018399999999 0.00004115 0.000092019999999 33229-34-4 36383 144209455 A A HC Blue 2 OCCN(CCO)c1ccc(NCCO)c(c1)[N+]([O-])=O Tox21_202257 -NCGC00253760-01 196697713 tox21-ror-cho-viability-p1 set1 4 37.5780357627 -13.872094388 -1.5 -15.372094388 1.6266150999 0.5897956227 0.1061160842 -1.35536448 -0.511802 1.19621001 -5.69772744 -2.51517788 0.93592045 -0.96083559 -1.17586169 -5.08668075 -0.53973682 0.09425625 -2.50670961 -3.75076283 -3.34214961 -11.14341199 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54029-12-8 83969 170466291 A A Albendazole oxide CCCS(=O)c1cc2nc(NC(=O)OC)nc2cc1 Tox21_113873 -NCGC00255407-01 196728949 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -20.982814224 1 -19.982814224 4.9549173134 0.6927463309 0.0416161924 -1.46582356 -2.17675365 2.24896854 -1.34244154 1.8676525 3.91646775 5.44749124 0.00316704 1.94543853 2.06847863 5.41217228 -2.14955226 -4.94057437 0.26188951 -16.23567852 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1987-50-4 16143 144211865 A A 4-Heptylphenol Oc1ccc(CCCCCCC)cc1 Tox21_301548 -NCGC00255365-01 196728538 tox21-ror-cho-viability-p1 set3 4 1.2197151236 9.8288596439 -3.3288596439 6.5 0.9999999999 0.4533850651 0.2213181963 -3.84800909 -5.9821942 -0.33716887 -1.91594162 -1.19868338 -9.44071637 0.02596549 1.8565214 -3.83132559 6.63934357 -2.09474264 12.68399442 -0.23326495 11.46794003 3.74965219 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6284-40-8 8567 144212354 A A Meglumine O[C@H]([C@@H](O)CNC)[C@H](O)[C@H](O)CO Tox21_302037 -NCGC00255911-01 196728942 tox21-ror-cho-viability-p1 set3 4 0.3857077887 9.764299164 -4.764299164 5 0.5999999999 0.4757397302 0.2180021877 -2.2467657 -2.97930953 -11.88691597 -1.15807014 -2.10398397 -2.349975 3.66878711 -3.20817773 -4.17845662 6.94915947 2.04977515 4.40644931 6.356511 2.38261393 -4.82798958 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 451-40-1 9948 144212476 A A 1,2-Diphenylethanone O=C(Cc1ccccc1)c2ccccc2 Tox21_302159 -NCGC00255599-01 196728945 tox21-ror-cho-viability-p1 set3 4 1.33816767 13.43107924 -2.53482498 17.32376069 6.46451617 0.40004775 3.15825347 2.22825003 -2.81463306 1.11972066 0.14889086 6.07564748 0.30639121 16.21063757 1.7483758 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 5259-88-1 21330 144211648 A A Oxycarboxin CC=1OCCS(=O)(=O)C=1C(=O)Nc2ccccc2 Tox21_301331 -NCGC00257609-01 196729357 tox21-ror-cho-viability-p1 set3 -2.4 4.7867226067 -42.672134414 -4.635353867 -47.307488281 0.5 0.5745470713 0.1305393881 0.07775432 -18.8048581 -15.69816514 -4.97553136 -7.0974529 -17.42384311 0 -4.04589944 -16.7298445 -21.82319385 -26.14609113 -28.3907542 -46.27578435 -24.25616064 1.17792826 1.166E-9 2.6069999999E-9 5.83E-9 1.304E-8 2.9149999999E-8 6.518E-8 1.457E-7 3.259E-7 7.287E-7 0.0000016299999999 0.0000036439999999 0.0000081479999999 0.00001822 0.00004074 0.00009109 5743-04-4 6537495 144207253 A A Cadmium acetate dihydrate O.[Cd+2].O.[O-]C(C)=O.[O-]C(C)=O Tox21_200055 -NCGC00255774-01 196728608 tox21-ror-cho-viability-p1 set3 4 5.4482673282 -4.720086132 0 -4.720086132 4.9549173134 0.3913781881 0.2832173468 -0.41256255 0.90800038 -3.45658496 -0.23075716 0.50564057 -2.52005164 -2.13464921 6.42291255 -1.03180629 -2.06936834 2.03145649 -6.43340511 -4.97885171 -2.35943349 -5.21783304 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1185-53-1 93573 144212474 A A Tromethamine hydrochloride Cl.OCC(N)(CO)CO Tox21_302157 -NCGC00255254-01 196728199 tox21-ror-cho-viability-p1 set3 4 34.3762428541 -12.204007568 1 -11.204007568 0.6999999999 0.4371278993 0.2379246025 -4.09282153 3.80873729 2.14391709 -0.2443192 -2.08338152 1.40263635 6.81909779 2.5652739 -2.47753341 -0.95507724 -5.87074578 0.64196788 -3.01806177 -4.85656185 -8.50333964 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26644-46-2 33565 144212585 I I Triforine ClC(Cl)(Cl)C(NC=O)N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl Tox21_302268 -NCGC00255791-01 196728202 tox21-ror-cho-viability-p1 set3 4 0.0015090223 14.139289816 -11.139289816 3 4.9549173134 0.6798607432 0.0484340671 -8.44940818 2.3811245 2.89057832 0.49477236 0.7640398 1.69153104 3.06239067 4.87972604 4.96846758 3.56622286 5.30252366 0.19416403 2.12783659 6.67171826 0.2436764 1.163E-9 2.601E-9 5.816E-9 1.301E-8 2.908E-8 6.503E-8 1.454E-7 3.2509999999E-7 7.27E-7 0.0000016259999999 0.0000036349999999 0.0000081279999999 0.00001818 0.00004064 0.00009088 75277-39-3 2724248 144212472 Ac Sodium 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate [Na+].OCCN1CCN(CC1)CCS([O-])(=O)=O Tox21_302155 -NCGC00256142-01 196728207 tox21-ror-cho-viability-p1 set3 1.2 17.2289340586 36.7321959784 0.615245724 37.3474417024 3.0654483358 0.986234474 5.4E-9 1.98766007 0.35717164 0.54587762 -0.73729523 0.10503099 1.77010868 1.06003212 0.13147986 4.09799705 -0.61162094 2.3386241 1.21867319 22.17598736 35.19906248 36.29941844 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119313-12-1 86171 144212024 D 2-Benzyl-2-(dimethylamino)-1-[4-(morpholin-4-yl)phenyl]butan-1-one CN(C)C(Cc1ccccc1)(CC)C(=O)c2ccc(cc2)N3CCOCC3 Tox21_301707 -NCGC00256226-01 196728624 tox21-ror-cho-viability-p1 set3 4 1.9158665 -1.44729741 -1.30357237 10.97659836 -5.84024343 9.69665018 3.77761334 -1.406444 -3.59536944 -3.84170434 -4.25457663 12.9755074 -6.60683436 -5.23173895 11.63795311 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 999-21-3 5354266 144211787 Z Z Diprop-2-en-1-yl (2Z)-but-2-enedioate O=C(\C=C/C(=O)OCC=C)OCC=C Tox21_301470 -NCGC00255305-01 196729022 tox21-ror-cho-viability-p1 set3 4 0.7695882154 9.95109356 -5.95109356 4 3.9294729863 0.4178371616 0.2545802205 1.0281534 -8.27849286 -15.3759113 -2.7481234 -10.62375356 2.99536419 -10.06595564 -4.50015515 -1.92204039 7.94767064 4.57581049 11.50625622 -1.60527953 -4.8738507 6.17876661 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-77-3 2717 144212514 A A Chlormezanone O=C1CCS(=O)(=O)C(N1C)c2ccc(Cl)cc2 Tox21_302197 -NCGC00255732-01 196729026 tox21-ror-cho-viability-p1 set3 4 0 0.25264278 3.49495679 0.71713158 2.1001521 5.04481783 -0.10759243 3.74588314 5.77561773 2.76136226 5.37065825 0.06589163 -0.55235393 -3.1826798 0.6199445 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 138-22-7 8738 144211666 A A Butyl lactate OC(C)C(=O)OCCCC Tox21_301349 -NCGC00259865-01 196708734 tox21-ror-cho-viability-p1 set2 4 61.5659893405 -16.2271435679 0.5 -15.7271435679 4.5044702849 0.8503452505 0.002270295 1.28610254 -1.99588363 0.70677326 -0.86675067 -1.75963293 -1.60529106 1.43729909 2.87391842 -0.93617931 2.5339055 0.67048067 0.9128683 1.18140697 -2.10629285 -13.52261964 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.968E-8 6.6359999999E-8 1.484E-7 3.318E-7 7.4189999999E-7 0.000001659 0.0000037099999999 0.000008295 0.00001855 0.000041479999999 0.00009274 732-11-6 12901 144209514 C D Phosmet COP(=S)(OC)SCN2C(=O)c1ccccc1C2=O Tox21_202316 -NCGC00256498-01 196708334 tox21-ror-cho-viability-p1 set1 4 8.6349217992 5.0466674761 0.9533325239 6 4.9549173134 0.5497758447 0.1381291779 5.44126233 1.38756214 -0.08418853 -0.61639796 2.87107375 0.02502825 0.99149972 0.23548944 -0.74755345 1.00772443 -1.70555623 3.63974946 6.61292077 2.99799259 8.56243969 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 62-75-9 6124 144213190 AC Ac N-Nitrosodimethylamine CN(C)N=O Tox21_302873 -NCGC00256750-01 196708335 tox21-ror-cho-viability-p1 set1 4 -7.97954466 -2.34935546 -6.29242359 4.91262038 0.00152535 -0.46456384 -0.93532728 -4.99818712 -15.8836666 -11.55489204 -8.143887 1.14070171 -8.86045023 -6.65234665 -9.11342651 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-64-7 31353 144212985 A F Linalyl benzoate C/C(C)=C\CCC(C)(OC(=O)c1ccccc1)C=C Tox21_302668 -NCGC00259646-01 196708746 tox21-ror-cho-viability-p1 set2 -1.2 13.7968432063 -47.4032506234 -1.7331602149 -49.1364108383 1.6266150999 0.9628408556 0.0000016238 2.15250303 0.90532119 -5.85077516 -4.27422313 -0.01190315 -4.24954869 0.32914929 -5.60457055 -0.40479266 -4.70413728 -8.41224685 -11.02532347 -32.79903389 -45.17909912 -43.39574997 1.188E-9 2.656E-9 5.9389999999E-9 1.3279999999E-8 2.969E-8 6.64E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.000003712 0.0000083 0.00001856 0.0000415 0.00009279 491-80-5 5280373 144209295 A A Biochanin A COc1ccc(cc1)C3=COc2cc(O)cc(O)c2C3=O Tox21_202097 -NCGC00259461-01 196708750 tox21-ror-cho-viability-p1 set2 4 1.25030627 -0.96690654 -20.53043845 -12.69903479 -3.02672782 -4.11654925 0.06753179 1.1689368 -3.21799747 -2.06874975 -1.50144072 -1.83699613 -3.11187368 -0.34818348 -0.16441082 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003707 0.0000082899999999 0.00001854 0.00004145 0.00009269 627-93-0 12329 144209110 A A Dimethyl adipate O=C(CCCCC(=O)OC)OC Tox21_201912 -NCGC00259316-01 196708754 tox21-ror-cho-viability-p1 set2 4 0.0048854169 5.3621988759 -3.8621988759 1.5 4.9549173134 0.5079721061 0.1758796982 -0.0705723 -7.38516573 0.41761207 3.25775184 1.06647929 0.9734382 1.3418119 0.26251146 0.74688127 1.05836048 1.66524901 2.470853 2.58790018 -0.65454735 1.42782653 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003707 0.0000082899999999 0.00001854 0.00004145 0.00009268 298-81-7 4114 144208965 A A 8-Methoxypsoralen COc1c3occc3cc2C=CC(=O)Oc12 Tox21_201767 -NCGC00256661-01 196707950 tox21-ror-cho-viability-p1 set1 -2.4 54.4826732819 -23.8826108239 -1.5 -25.3826108239 2.7202212143 0.9260604247 0.0000693032 -1.91741422 -2.40214865 -1.34694683 -2.2014118 -0.82706091 -0.39237675 0.70181256 -3.83512288 -1.29118878 -0.79307816 -5.14172941 -0.0416944 -2.48849846 -9.17278708 -20.73550902 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 502-72-7 10409 144212782 A Ac Cyclopentadecanone O=C1CCCCCCCCCCCCCC1 Tox21_302465 -NCGC00257466-01 196707513 tox21-ror-cho-viability-p1 set1 4 2.21918394 2.33446116 1.22392559 1.62889608 3.14946872 3.80329544 -0.1492141 4.68042656 2.99845318 1.37787862 0.65787947 0.03886873 5.11235036 7.21714835 4.98972801 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.000003681 0.00000823 0.000018399999999 0.00004115 0.00009201 479500-35-1 11769095 144213701 A 1-Butyl-1-methylpyrrolidinium chloride [Cl-].CCCC[N+]1(C)CCCC1 Tox21_303389 -NCGC00257330-01 196707530 tox21-ror-cho-viability-p1 set1 4 0.0357369576 -14.961292192 -3 -17.961292192 0.6 0.5416414509 0.1424353062 -6.33177966 -4.46385893 -7.27883925 1.69319156 -18.30779189 -17.61017451 -6.81239177 -12.74786256 -14.80491592 -16.7317437 -19.65985428 -17.5237004 -20.38441016 -14.03698529 -18.07039753 1.0059999999E-9 2.248E-9 5.028E-9 1.124E-8 2.514E-8 5.621E-8 1.257E-7 2.811E-7 6.2849999999E-7 0.0000014049999999 0.0000031419999999 0.000007027 0.00001571 0.00003513 0.00007856 91465-08-6 6440554 144213734 A A lambda-Cyhalothrin Cl\C(=C/[C@H]3[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc1ccccc1)c2)C3(C)C)C(F)(F)F Tox21_303423 -NCGC00257012-01 196707945 tox21-ror-cho-viability-p1 set1 4 0.0153553036 -6.9662997399 -6.948208468 -13.9145082079 3.5117481694 0.3421150564 0.3282223896 -5.57281466 -10.24229898 -4.95684039 -10.17279722 -12.7438688 -17.4906555 -14.82677436 -7.45594629 -14.77933865 -19.92875684 -14.78834161 -13.92938083 -5.03174177 -19.73901722 -11.89231152 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-07-0 7421 144213504 A A 3-Dimethylaminophenol CN(C)c1cccc(O)c1 Tox21_303187 -NCGC00257484-01 196708342 tox21-ror-cho-viability-p1 set1 4 -0.76172664 -0.54495905 1.59474008 2.29362869 2.19621962 -0.2059068 -1.06738263 0.13478924 -0.45896032 0.44924133 1.75660047 -1.14745008 1.08696719 1.1690529 0.64696636 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7681-76-7 5094 144213715 A A Ronidazole Cn1c(cnc1COC(N)=O)[N+]([O-])=O Tox21_303404 -NCGC00257078-01 196708349 tox21-ror-cho-viability-p1 set1 4 -0.19197562 5.11347213 0.76102946 -0.39958212 1.27515666 3.61867468 1.60034577 1.05719006 0.04208018 0.85035337 1.71395204 2.37996906 5.7162778 2.82506966 3.32059389 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 583-78-8 66 144213370 A A 2,5-Dichlorophenol Clc1ccc(Cl)c(O)c1 Tox21_303053 -NCGC00254766-01 196719838 tox21-ror-cho-viability-p1 set3 -1.3 3.0637858693 -118.5992990243 4.7573573287 -113.8419416956 0.8999999999 0.9384235581 0.1070681299 -2.68995065 1.12474705 4.74087982 -1.6254132 6.70198435 10.62482034 -2.87686908 11.12906419 -44.93563899 -39.37154304 52.43915433 -61.88582718 -107.16094026 -107.80486903 -103.17888451 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1897-45-6 15910 144211179 Chlorothalonil Clc1c(C#N)c(Cl)c(C#N)c(Cl)c1Cl Tox21_300862 -NCGC00254024-01 196720251 tox21-ror-cho-viability-p1 set3 4 0.0016186602 22.848912264 -24.848912264 -2 0.3 0.4739368812 0.219467291 -12.68610553 -19.04076022 -8.46071797 -5.33629721 -11.37255869 -9.83061533 -1.69526786 -5.40293907 -5.48140646 -7.39382004 0.14089337 -1.2626289 -10.62367117 -0.99383374 -23.55768194 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 68-26-8 445354 144210607 FNS Retinol CC=1CCCC(C)(C)C=1/C=CC(\C)=C\C=C\C(\C)=C\CO Tox21_300287 -NCGC00254591-01 196720264 tox21-ror-cho-viability-p1 set3 -2.2 24.3365162115 -47.1974497381 -4.980588633 -52.1780383711 1.6266150999 0.9320057269 0.0000440785 -12.13512506 -11.35207017 -9.4393993 -2.31032259 -6.89358426 -6.87237914 -2.84560287 -4.59490463 -0.25810811 -6.21561397 -4.80320446 -14.48655965 -20.94978926 -39.12025016 -46.96669712 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 128-95-0 31420 144211000 A A 1,4-Diaminoanthraquinone O=C2c1ccccc1C(=O)c3c2c(N)ccc3N Tox21_300683 -NCGC00256888-01 196718190 tox21-ror-cho-viability-p1 set2 4 -4.51279964 0.57657374 0.96760698 -2.21146704 -4.8888386 -4.71654133 1.49011495 -4.07271296 1.50495007 -1.7738561 -3.48342904 -4.79052004 0.86421172 -5.05889761 0.30471468 6.063E-10 1.3559999999E-9 3.032E-9 6.779E-9 1.5159999999E-8 3.39E-8 7.5789999999E-8 1.695E-7 3.79E-7 8.474E-7 0.0000018949999999 0.000004237 0.000009474 0.000021179999999 0.000047369999999 6381-91-5 22879 144212764 A B Calcium saccharin hydrate [Ca+2].O.O=C1[N-]S(=O)(=O)c2ccccc12.O=C1[N-]S(=O)(=O)c2ccccc12 Tox21_302447 -NCGC00160641-01 196717342 tox21-ror-cho-viability-p1 set2 4 -0.97981087 -5.10495198 -3.4751419 -5.04945559 -4.25390773 -1.08952042 0.0808586 -0.19724668 -0.69055279 -4.78486198 -3.69484363 -2.73160002 -1.78914047 -2.36848261 -6.62661768 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2898-13-7 17931 144205501 A A Sulazepam Clc1ccc2c(c1)C(=NCC(=S)N2C)c3ccccc3 Tox21_111948 -NCGC00257175-01 196718171 tox21-ror-cho-viability-p1 set2 4 0.36688849 -3.64943026 -3.0536007 -6.54005177 -1.62699349 0.50443037 -0.67864241 0.78544721 0.18849948 0.73900778 -2.54935248 -6.32897495 -3.61468205 -1.67839888 -1.45098092 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 629-50-5 12388 144213360 F Fns Tridecane CCCCCCCCCCCCC Tox21_303043 -NCGC00256332-01 196718179 tox21-ror-cho-viability-p1 set2 4 0.0172289341 -5.7209125039 -0.5 -6.2209125039 4.9549173134 0.4928318882 0.2033938387 -1.17775112 -1.3292998 0.49490354 0.22306129 -9.25395872 -10.60076042 -5.17411733 -8.50057659 -8.00338177 -5.72417269 -7.53632355 -3.91707857 -2.04396595 -1.49429218 -1.39568406 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 834-28-6 13266 144213321 A A Phenformin hydrochloride Cl.N=C(N)NC(=N)NCCc1ccccc1 Tox21_303004 -NCGC00256891-01 196718587 tox21-ror-cho-viability-p1 set2 4 43.2331187906 -8.8255442319 0 -8.8255442319 0.7999999999 0.5595615434 0.1315440893 -1.09521673 0.02404526 -0.16115018 -1.78960625 4.9098444 -1.46574226 -0.96519963 0.51690909 -1.21148396 0.4154738 -1.56021421 -2.2820785 -2.75594616 -3.11768891 -6.52128686 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.000018429999999 0.0000412 0.000092129999999 57646-30-7 42504 144212806 A A Furalaxyl O=C(N(C(C)C(=O)OC)c1c(C)cccc1C)c2ccco2 Tox21_302489 -NCGC00255229-01 196718594 tox21-ror-cho-viability-p1 set2 4 -0.72949841 0.59683356 -1.59132944 0.79959194 1.05277711 3.65595385 -1.74244714 8.29176705 0.8625819 2.74771165 2.74223023 -1.73997049 4.1277522 5.31459283 3.92880822 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52-01-7 5833 144212471 F A Spironolactone CC(=O)S[C@@H]4CC1=CC(=O)CC[C@]1(C)[C@H]5CC[C@@]3(C)[C@@H](CC[C@]23CCC(=O)O2)[C@H]45 Tox21_302154 -NCGC00256577-01 196719005 tox21-ror-cho-viability-p1 set2 4 0.0153553036 6.0270416119 -2.0270416119 4 1.372261 0.594509225 0.1028610759 -0.47744346 -3.35586801 -0.31867928 0.73305746 3.11373813 1.48044619 2.72909057 7.47748491 5.6212838 2.92236892 4.50144761 7.31800882 3.85090349 0.47996089 3.5916355 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-24-8 5755 144213304 A A Prednisolone OCC(=O)[C@@]4(O)CC[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_302987 -NCGC00090702-02 196719008 tox21-ror-cho-viability-p1 set2 4 -2.58556322 -1.06232832 -2.00500559 -6.19074183 -4.87462932 -2.57712049 -2.64023933 0.65638758 -4.30113738 -3.97326429 -3.25852052 -0.56582453 -1.77985452 -3.74078209 -2.96277824 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00258003-01 196702267 tox21-ror-cho-viability-p1 set1 4 0.0010419058 -11.648867128 12 0.351132872 0.7 0.3698939756 0.3054327888 9.4346795 1.48902703 -0.22000361 3.11563948 0.82506094 4.29356977 1.21091338 3.13063745 3.660882 -0.55019044 1.5652784 -1.37405594 -0.57449937 -0.71903376 0.14307115 1.1389999999E-9 2.5469999999E-9 5.6959999999E-9 1.2739999999E-8 2.8479999999E-8 6.368E-8 1.424E-7 3.184E-7 7.1199999999E-7 0.000001592 0.00000356 0.00000796 0.0000178 0.0000398 0.000089 617-94-7 12053 144207647 A A 2-Phenylpropan-2-ol CC(O)(C)c1ccccc1 Tox21_200449 -NCGC00257813-01 196701843 tox21-ror-cho-viability-p1 set1 4 1.92910562 -1.22882921 0.86307238 -0.2625587 -0.98407809 0.64297194 2.09702167 3.35882024 3.91136492 4.28782629 6.46973109 -0.23509142 1.71432753 0.86338412 4.79562911 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004133 0.000092409999999 2402-79-1 16990 144207457 AC B 2,3,5,6-Tetrachloropyridine Clc1cc(Cl)c(Cl)nc1Cl Tox21_200259 -NCGC00258021-01 196701861 tox21-ror-cho-viability-p1 set1 4 0.6297027 0.47129214 1.15489747 2.85401831 3.81755321 1.33576337 9.29307668 5.10517566 5.90900882 3.38624032 2.46250293 -0.9389504 0.3996361 3.14250492 0.11739962 1.1739999999E-9 2.625E-9 5.87E-9 1.3129999999E-8 2.9349999999E-8 6.5629999999E-8 1.468E-7 3.282E-7 7.338E-7 0.000001641 0.000003669 0.000008204 0.00001834 0.00004102 0.00009172 38103-06-9 94483 144207665 A B 5,5'-[Propane-2,2-diylbis(benzene-4,1-diyloxy)]bis(2-benzofuran-1,3-dione) O=C1OC(=O)c2ccc(cc12)Oc3ccc(cc3)C(C)(C)c4ccc(cc4)Oc5ccc6C(=O)OC(=O)c6c5 Tox21_200467 -NCGC00257850-01 196702260 tox21-ror-cho-viability-p1 set1 4 -2.92128735 -2.09529636 0.20066299 -2.57164003 0.02527299 -6.51335943 -2.00925487 -0.77293642 -4.29141297 -3.91141502 -1.29316164 1.61821567 -10.55864886 2.7042057 0.05070709 1.214E-9 2.7139999999E-9 6.0679999999E-9 1.357E-8 3.034E-8 6.7839999999E-8 1.517E-7 3.3919999999E-7 7.5849999999E-7 0.000001696 0.000003793 0.0000084809999999 0.00001896 0.000042399999999 0.000094819999999 15345-89-8 5273621 144207494 A A Desmethoxyyangonin COC=2C=C(/C=C/c1ccccc1)OC(=O)C=2 Tox21_200296 -NCGC00091284-03 196698957 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -15.88880574 0.5 -15.38880574 4.5044702849 0.757299783 0.0176706739 -0.20159173 2.17313994 1.33351713 0.86100102 1.0886132 -0.68296497 3.52866163 -4.75262507 0.83558236 -0.9784721 1.02401848 -0.06051374 0.27950769 -1.03801136 -11.99067145 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00091112-09 196698144 tox21-ror-cho-viability-p1 set1 -1.1 5.3080386368 -98.6398796388 -1.590609402 -100.2304890408 1.21 0.9928345443 1E-10 -0.1796503 0.11760757 -1.17692079 -0.29765445 -3.01532726 -0.30037512 -4.53903781 -3.25338153 -3.10719182 -13.54646135 -22.7850944 -46.30518462 -61.40639203 -90.27443461 -90.78848645 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 548-62-9 11057 170464787 B Methylrosaniline chloride [Cl-].C/[N+](C)=C1\C=C\C(C=C1)=C(/c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C Tox21_111084_1 -NCGC00263563-01 196698146 tox21-ror-cho-viability-p1 set1 -2.1 9.4391758155 -105.6031657005 5.375814349 -100.2273513515 0.6999999999 0.9918370031 2E-10 2.95977872 4.79391474 3.32145393 4.25777743 6.55390139 2.89930047 4.99303319 -3.4776772 -0.72395978 -10.38722179 -21.02275257 -35.6648874 -42.37353218 -61.91507742 -75.92981163 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84878-61-5 20054964 170466228 F Maduramicin ammonium [NH4+].O[C@]1(CC([O-])=O)O[C@H]([C@H](OC)[C@@H](OC)[C@@H]1C)[C@H](C)[C@H]2O[C@]3(C[C@H](O)[C@H]2C)CC[C@](C)(O3)[C@H]4CC[C@](C)(O4)[C@@H]6O[C@H](C[C@@H]6OC5C[C@H](OC)[C@@H](OC)[C@H](C)O5)[C@H]7O[C@](C)(O)[C@H](C)C[C@@H]7C Tox21_113443_1 -NCGC00183104-02 196698545 tox21-ror-cho-viability-p1 set1 4 -1.24888506 0.00688601 -1.61704832 -0.14918965 -0.32710583 0.63740613 0.09842406 -1.10108486 -1.16981602 0.61743697 0.50593393 0.33933481 0.1565264 -0.82587967 -0.19576618 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54533-86-7 4514 170466022 A Nizofenone Clc1ccccc1C(=O)c2cc(ccc2n3ccnc3CN(CC)CC)[N+]([O-])=O Tox21_112984_1 -NCGC00254330-01 196698961 tox21-ror-cho-viability-p1 set1 4 -1.94893248 -6.26680972 -1.8201222 -5.16206473 -4.16188386 -7.14686178 -3.34889856 -3.19623101 -5.69243763 -11.53813429 -1.77629055 -8.00740486 -8.24564598 -4.3462047 -1.54934359 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 924-16-3 13542 144210743 A Bc N-Nitrosodibutylamine CCCCN(CCCC)N=O Tox21_300425 -NCGC00254849-01 196698975 tox21-ror-cho-viability-p1 set1 4 -1.15170933 1.02416432 -2.27186454 -0.99914057 -2.05587175 -1.90286128 0.00959703 0.40409444 -0.23949526 -0.82911678 0.68038559 -1.56446172 -1.37223093 -6.46526248 -1.27737944 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 133855-98-8 3317081 144211264 A A Epoxiconazole Fc1ccc(cc1)C4(Cn2cncn2)OC4c3ccccc3Cl Tox21_300947 -NCGC00254458-01 196699388 tox21-ror-cho-viability-p1 set1 4 0.22225602 -0.50542297 1.85658209 1.30601941 -0.28557103 -0.12350732 1.66764386 1.53022 1.0979418 0.99953747 -0.60148678 -0.53883889 4.28705677 1.19695856 0.09000294 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-93-0 12329 144210681 A A Dimethyl adipate O=C(CCCCC(=O)OC)OC Tox21_300363 -NCGC00254484-01 196699790 tox21-ror-cho-viability-p1 set1 4 -3.524136 -0.70235541 0.98069123 -0.36686667 -0.79076117 -1.79854501 0.25156485 -0.71935847 -0.29148798 0.99342482 -3.52088799 1.00199222 -2.84398923 0.75720869 0.10734195 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-11-5 8091 144210874 A Fns Methyl octanoate O=C(CCCCCCC)OC Tox21_300557 -NCGC00258539-01 196729874 tox21-ror-cho-viability-p1 set3 4 34.726127359 -22.041694748 0.5 -21.541694748 0.8999999999 0.7429888233 0.0217303326 0.89613404 -0.94130951 0.18812716 0.10605313 -0.30271143 -1.63956837 1.09711655 -0.16906546 6.36888897 -0.58905547 -3.69885822 -10.12396108 -2.21260803 -9.97190972 -17.95141229 1.19E-9 2.661E-9 5.95E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003719 0.000008315 0.00001859 0.00004158 0.00009297 117-10-2 2950 144208184 A A Danthron Oc3cccc2C(=O)c1cccc(O)c1C(=O)c23 Tox21_200986 -NCGC00091643-08 196730284 tox21-ror-cho-viability-p1 set3 -2.4 12.1971512362 -22.5327966399 1 -21.5327966399 2.7202212143 0.8908733346 0.0004976311 1.18361013 0.38878428 -4.56928682 4.15398076 1.37048012 1.30516814 0.0900503 -0.61081121 -0.85219558 2.63220214 0.47764441 1.11707369 -21.17284654 -18.04400633 -21.6939972 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00257912-01 196729451 tox21-ror-cho-viability-p1 set3 4 0 0.44628759 0.24589076 3.6999096 0.26629914 0.5212566 -0.21791315 0.06464858 6.93710384 1.03095063 0.08150256 -19.12023953 2.89890809 1.93263673 -0.4775344 1.2379999999E-9 2.768E-9 6.189E-9 1.3839999999E-8 3.0949999999E-8 6.92E-8 1.547E-7 3.4599999999E-7 7.7359999999E-7 0.00000173 0.000003868 0.00000865 0.000019339999999 0.00004325 0.000096709999999 75-83-2 6403 144207556 FNS 2,2-Dimethylbutane CC(C)(C)CC Tox21_200358 -NCGC00257941-01 196730273 tox21-ror-cho-viability-p1 set3 4 -1.59798457 0.57629781 1.22512856 0.57074368 1.88666833 0.19373933 0.23864534 0.15476315 2.84733338 3.35512938 3.1915894 1.27473761 2.92156874 1.7908455 1.03297021 1.167E-9 2.6109999999E-9 5.837E-9 1.305E-8 2.919E-8 6.5259999999E-8 1.459E-7 3.2629999999E-7 7.297E-7 0.0000016319999999 0.000003648 0.0000081579999999 0.000018239999999 0.000040789999999 0.000091209999999 99-52-5 7441 144207585 A A 2-Methyl-4-nitroaniline Cc1cc(ccc1N)[N+]([O-])=O Tox21_200387 -NCGC00258721-01 196730285 tox21-ror-cho-viability-p1 set3 -2.2 38.1788668259 -36.220134196 0.5 -35.720134196 2.3331733767 0.9366454514 0.0000303329 -1.51334608 0.38462228 -0.17815393 1.83384796 -1.10310715 -0.64494909 -1.22946127 0.93702212 -1.55254963 0.27360583 -1.42601839 1.94445272 1.45954894 -22.33247402 -30.60011183 1.1699999999E-9 2.617E-9 5.851E-9 1.3079999999E-8 2.925E-8 6.5409999999E-8 1.463E-7 3.271E-7 7.314E-7 0.000001635 0.000003657 0.000008177 0.00001828 0.00004088 0.00009142 835-11-0 70038 144208367 A A 2,2'-Dihydroxybenzophenone O=C(c1ccccc1O)c2ccccc2O Tox21_201169 -NCGC00258390-01 196730287 tox21-ror-cho-viability-p1 set3 4 -5.08975693 -0.5879309 -4.54415096 -3.96662032 -2.84964336 0.08277394 0.37004297 -3.61282779 0.24823546 -0.05131841 -3.1577204 -2.95997599 1.38403487 -0.33468065 3.29424547 1.1689999999E-9 2.614E-9 5.845E-9 1.3069999999E-8 2.922E-8 6.535E-8 1.461E-7 3.267E-7 7.306E-7 0.0000016339999999 0.000003653 0.000008169 0.00001827 0.00004084 0.00009133 5397-31-9 21499 144208034 A Ac 3-((2-Ethylhexyl)oxy)propylamine CCCCC(COCCCN)CC Tox21_200836 -NCGC00257979-01 196730288 tox21-ror-cho-viability-p1 set3 4 1.94838257 4.97567786 1.66624341 4.1382726 5.1737385 5.76285527 -3.06152939 5.75490822 -2.48886635 -2.73581828 3.87126377 -3.13335558 0.87262001 -2.54939203 0.80152286 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.961E-8 6.622E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001655 0.000003702 0.0000082769999999 0.00001851 0.00004139 0.00009254 75-98-9 6417 144207623 A A 2,2-Dimethylpropanoic acid CC(C)(C)C(=O)O Tox21_200425 -NCGC00259261-01 196709600 tox21-ror-cho-viability-p1 set2 4 1.18111252 1.12296302 0.63205366 0.29097352 4.07450975 1.2274101 0.9783882 1.20345339 -0.46213729 0.5283507 -0.78242755 0.09531262 -1.06717398 1.96177621 2.39291454 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004124 0.00009223 1445-75-6 3073 144208910 A Diisopropyl methylphosphonate CP(=O)(OC(C)C)OC(C)C Tox21_201712 -NCGC00259429-01 196709601 tox21-ror-cho-viability-p1 set2 4 -2.07255991 -3.49545668 -1.95032108 -2.89274392 -3.03530908 -2.73078551 1.44360116 -2.86307516 1.34765114 -3.31524094 -0.68386022 -3.28569778 -3.4645526 -2.82261322 -2.83345884 1.173E-9 2.6229999999E-9 5.865E-9 1.312E-8 2.933E-8 6.558E-8 1.466E-7 3.279E-7 7.3319999999E-7 0.0000016389999999 0.0000036659999999 0.000008197 0.00001833 0.00004098 0.00009165 81-07-2 5143 144209078 A A Saccharin O=C2NS(=O)(=O)c1ccccc12 Tox21_201880 -NCGC00259415-01 196709609 tox21-ror-cho-viability-p1 set2 4 -2.94718784 -3.45209256 -5.62338093 -6.09369447 -4.01034955 1.87236024 -6.09974041 -3.57033083 -0.58622626 -1.88844801 -5.97421999 -4.377539 -3.02297245 -2.67763067 2.94057484 1.166E-9 2.606E-9 5.8279999999E-9 1.303E-8 2.9139999999E-8 6.515E-8 1.457E-7 3.2579999999E-7 7.284E-7 0.000001629 0.0000036419999999 0.000008144 0.00001821 0.000040719999999 0.00009106 101-21-3 2728 144209064 A A Chlorpropham Clc1cc(NC(=O)OC(C)C)ccc1 Tox21_201866 -NCGC00255600-01 196710006 tox21-ror-cho-viability-p1 set2 4 2.24710232 3.11604036 -0.28160322 1.63937852 1.387637 1.62426463 1.77279817 3.39991834 2.74213311 2.63814884 2.52671971 -1.82210969 2.59398279 0.19155265 1.75863147 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-88-8 23665772 144211872 Ac 7-Ethyl-2-methyl-4-undecanolsulfate, sodium salt [Na+].CC(C)CC(CCC(CCCC)CC)OS([O-])(=O)=O Tox21_301555 -NCGC00255495-01 196710018 tox21-ror-cho-viability-p1 set2 4 -14.48299033 -0.73309483 -8.61742633 -2.38712084 -10.37937955 -6.85555133 -10.68055624 -17.18166596 -9.01111521 -10.11698719 -13.76341443 -9.14025091 -11.75636838 -10.81980523 -7.133251 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 113-24-6 23662274 144211803 Ac Sodium pyruvate [Na+].CC(=O)C([O-])=O Tox21_301486 -NCGC00255884-01 196710019 tox21-ror-cho-viability-p1 set2 4 4.86250026 -1.3945296 3.72697914 -1.36176985 1.13077686 -0.35187185 -0.69822908 2.79492027 2.97101712 0.21936383 -1.7855029 -1.27440253 0.02530795 -0.38416878 0.63816939 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2905-67-1 76192 144212552 A Ac Methyl 3,5-dichlorobenzoate Clc1cc(cc(Cl)c1)C(=O)OC Tox21_302235 -NCGC00255784-01 196710027 tox21-ror-cho-viability-p1 set2 -2.1 68.1016469048 -76.3407002013 -8.992507037 -85.3332072383 3.1319983358 0.9591141604 0.0000027696 -12.83143647 -12.802589 -11.11163331 -8.00905526 -13.25718019 -7.83097844 -8.73693873 -12.93563135 -10.07906825 -2.29806375 -8.984935 -7.09969713 -10.90139641 -23.10923218 -64.64636912 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.0000036659999999 0.000008198 0.00001833 0.00004099 0.000091659999999 630-56-8 169870 144212650 A A Hydroxyprogesterone caproate CC(=O)[C@@]3(OC(=O)CCCCC)CC[C@H]2[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_302333 -NCGC00091643-08 196710433 tox21-ror-cho-viability-p1 set2 -2.2 54.4826732819 -45.6434966475 -0.5 -46.1434966475 1.92824246 0.9787159639 6.83E-8 0.49264946 0.23175002 0.08194029 0.56917493 1.19750621 -0.17592338 -1.22233564 -1.42283521 -1.11345148 -2.13093485 -3.4713883 -3.40096897 -6.39024169 -15.33368276 -34.95719443 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00255628-01 196710434 tox21-ror-cho-viability-p1 set2 4 54.4826732819 10.350580772 -3.350580772 7 0.7999999999 0.4772984173 0.2020150856 -3.86357257 -5.54284853 2.27444924 -4.07346709 -5.45488479 -4.77818994 -5.70881731 -1.33619331 -1.23402377 -3.26847632 -0.50579414 -1.79827577 -0.81731986 -0.40212039 4.73786476 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 20711-10-8 5367692 144212521 A F (Z)-11-Tetradecenyl acetate CC(=O)OCCCCCCCCCC/C=C\CC Tox21_302204 -NCGC00255238-01 196710436 tox21-ror-cho-viability-p1 set2 4 4.80869553 2.68183813 -2.00393293 3.31838966 -2.39911031 -0.59040539 -1.87401024 1.65055959 -1.8254552 -1.65501832 -1.73240532 4.1675136 4.54096696 -2.10873846 0.6330334 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1941-30-6 74745 144211821 A A Tetrapropylammonium bromide [Br-].CCC[N+](CCC)(CCC)CCC Tox21_301504 -NCGC00255837-01 196710437 tox21-ror-cho-viability-p1 set2 4 0.0017228934 13.496809316 -12.496809316 1 4.9549173134 0.9189066519 0.0001149259 -10.83067443 -0.30435533 -0.47460093 0.32890225 2.30352334 1.9678083 0.07609045 -0.13376115 -0.02624564 1.89575407 0.65071579 0.31916518 0.88914246 1.86670669 0.2932955 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-89-8 7465 144211640 A A 4-Isopropylphenol CC(C)c1ccc(O)cc1 Tox21_301323 -NCGC00260425-01 196712131 tox21-ror-cho-viability-p1 set2 4 15.4490445948 -9.123904756 -1 -10.123904756 3.0654483358 0.5260082557 0.1734227144 0.01308466 1.28477754 -0.0600584 0.59915547 0.02348656 -0.39438584 -4.99605467 -4.352067 -5.79111249 3.78730785 0.6809667 -0.68923776 -7.93661041 -9.26992063 1.02606918 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.629E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008287 0.00001853 0.000041429999999 0.00009265 93-91-4 7166 144210077 A I 1-Benzoylacetone O=C(CC(C)=O)c1ccccc1 Tox21_202879 -NCGC00260291-01 196712121 tox21-ror-cho-viability-p1 set2 4 -2.56395707 -2.68909516 -4.32105533 -13.1286488 -1.04771947 0.91861177 -1.22615786 -7.42324136 -3.56786249 -13.01149048 -9.87498437 -3.71293409 -7.20799045 1.54873892 -17.95680951 5.816E-11 1.301E-10 2.908E-10 6.503E-10 1.454E-9 3.2509999999E-9 7.27E-9 1.6259999999E-8 3.635E-8 8.128E-8 1.8179999999E-7 4.064E-7 9.088E-7 0.0000020319999999 0.0000045439999999 142-73-4 8897 144209941 Fns Iminodiacetic acid O=C(O)CNCC(=O)O Tox21_202743 -NCGC00091839-03 196720291 tox21-ror-cho-viability-p1 set3 4 -5.66442642 -11.48523485 -3.95890482 0.06778633 -4.94255721 -2.32333344 -4.07876656 -2.52360666 -7.05423357 -5.95875062 -7.08826587 3.37813739 -5.37161194 1.84941592 -16.80516116 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00091643-08 196719456 tox21-ror-cho-viability-p1 set2 4 48.5577336745 -15.6455731199 -1.5 -17.1455731199 2.4063783767 0.737733193 0.0236167294 0.19188735 -0.10021961 0.4773826 1.11563625 -0.1392345 -0.84756528 -5.13687028 -4.07904461 -4.72545873 -0.97849729 -3.54949071 0.38866514 0.14332681 -8.86987531 -14.2879776 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00254778-01 196719875 tox21-ror-cho-viability-p1 set3 4 0.2433651621 -10.5 12.5 2 0.9999999999 0.4607196756 0.2144523643 11.19078511 2.62108662 19.35386716 17.01032544 6.81140127 16.38523818 4.83716511 6.2217554 4.3576645 0.31908745 6.57455493 5.8007836 1.46069132 2.09683563 1.29016688 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 30560-19-1 1982 144211191 A A Acephate O=C(C)NP(=O)(OC)SC Tox21_300874 -NCGC00255020-01 196719881 tox21-ror-cho-viability-p1 set3 4 38.5707788719 -22.10547038 6 -16.10547038 0.8999999999 0.5987739599 0.0979037621 9.04819545 7.86917764 3.67281591 -2.19113446 6.94399739 15.69820573 4.43671938 4.03368126 6.00145785 -0.69437442 3.61806803 1.97556052 -0.79675998 -3.48145375 -11.75455865 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1878-49-5 74651 144211438 Ac Ac (2-Methylphenoxy)acetic acid O=C(O)COc1ccccc1C Tox21_301121 -NCGC00254489-01 196720293 tox21-ror-cho-viability-p1 set3 -1.1 25.025451131 -78.2695956539 9 -69.2695956539 4.9549173134 0.9645109507 0.0000012532 7.7141788 3.89967145 5.34219082 4.99900861 9.57071103 13.81882108 9.1375239 17.83449173 14.45292293 15.39972465 7.53456624 -0.96179221 3.84192321 -61.19970582 -72.836494 9.969E-10 2.229E-9 4.9839999999E-9 1.1149999999E-8 2.492E-8 5.573E-8 1.246E-7 2.786E-7 6.23E-7 0.000001393 0.000003115 0.000006966 0.00001558 0.00003483 0.000077879999999 50-55-5 5770 144210855 A A Reserpine COc1cc(cc(OC)c1OC)C(=O)O[C@@H]3C[C@@H]4CN5CCc2c6ccc(OC)cc6nc2[C@H]5C[C@@H]4[C@@H]([C@H]3OC)C(=O)OC Tox21_300537 -NCGC00254103-01 196720300 tox21-ror-cho-viability-p1 set3 4 -0.18466796 -3.50025745 3.91596625 11.86358664 -2.74396642 7.00026334 -0.66366885 6.57999135 4.44392385 10.71545848 8.44241073 5.27803713 -4.60282449 5.2250362 0.57424074 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-54-7 7443 144210613 A Ac 3,4-Dichloronitrobenzene Clc1ccc(cc1Cl)[N+]([O-])=O Tox21_300293 -NCGC00091650-03 196720693 tox21-ror-cho-viability-p1 set3 2.4 1.0870722482 44.3338586785 3.9590699359 48.2929286144 0.3 0.605583651 0.122665841 16.28074003 13.87185334 14.15462936 16.30977938 15.19480938 17.83522103 0 24.95526542 24.27035059 29.02618596 30.49036409 40.40930064 34.57353616 30.88847784 11.77019836 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00259535-01 196721108 tox21-ror-cho-viability-p1 set3 4 1.54854918 -0.5734513 -5.25918457 -0.83728378 2.52074795 -2.46371029 -0.12869423 0.38477904 -5.17427501 -2.81759259 0.73724528 -3.80074797 1.26635634 2.52579782 1.45930954 1.1679999999E-9 2.612E-9 5.8419999999E-9 1.3059999999E-8 2.9209999999E-8 6.531E-8 1.4599999999E-7 3.2659999999E-7 7.3019999999E-7 0.0000016329999999 0.0000036509999999 0.000008164 0.00001826 0.00004082 0.00009128 1912-24-9 2256 144209184 B B Atrazine Clc1nc(NCC)nc(NC(C)C)n1 Tox21_201986 -NCGC00259305-01 196721115 tox21-ror-cho-viability-p1 set3 4 -4.93907457 -3.66688298 -4.3319531 6.60598652 -3.66218059 -4.85268172 -5.76863568 -5.70906751 -4.68229253 -3.90345541 -2.86022842 -4.6188106 -6.16298991 5.25351422 -1.38959073 1.206E-9 2.697E-9 6.0299999999E-9 1.348E-8 3.0149999999E-8 6.7419999999E-8 1.5079999999E-7 3.371E-7 7.538E-7 0.000001685 0.000003769 0.0000084269999999 0.00001884 0.00004214 0.000094219999999 3689-24-5 19395 144208954 B F Sulfotepp CCOP(=S)(OCC)OP(=S)(OCC)OCC Tox21_201756 -NCGC00256458-01 196718204 tox21-ror-cho-viability-p1 set2 -2.4 34.3762428541 -30.7805197 -1.5 -32.2805197 1.331 0.7934229136 0.0091026855 2.27144524 2.04917642 -0.88764863 5.01681589 -1.42553132 -7.18655335 0.47211536 -8.23367374 -0.83562718 -8.83445119 -0.43007705 -5.98829232 -11.30622373 -16.36957109 -28.56709975 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 491-80-5 5280373 144213218 A A Biochanin A COc1ccc(cc1)C3=COc2cc(O)cc(O)c2C3=O Tox21_302901 -NCGC00015830-08 196717791 tox21-ror-cho-viability-p1 set2 4 3.0913354 0.25892246 1.47255795 1.95608157 2.65337083 1.41556591 3.56762312 3.01232496 3.75661146 4.86602032 3.00115185 1.69305952 -0.38257929 -0.29634716 1.12723414 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 156-51-4 61100 170465229 Z Phenelzine O=S(=O)(O)O.NNCCc1ccccc1 Tox21_110236_1 -NCGC00160527-03 196717799 tox21-ror-cho-viability-p1 set2 4 0.2371013766 -6.2347579159 -1.5 -7.7347579159 4.9549173134 0.5566885867 0.130903066 -2.30764969 -3.72459902 -4.81835137 -1.89449345 0.42220352 -1.93187533 0.82060995 1.49840809 -12.27896493 -6.49925633 -8.80132507 -1.7284592 -8.16512726 -7.62251712 -10.39441023 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112885-42-4 119583 170466008 A Mosapride citrate O=C(O)C(O)(CC(=O)O)CC(=O)O.Clc1cc(c(OCC)cc1N)C(=O)NCC3CN(Cc2ccc(F)cc2)CCO3 Tox21_111874_1 -NCGC00255898-01 196701461 tox21-ror-cho-viability-p1 set1 -2.1 27.3060203028 -84.0699662164 1.0159719509 -83.0539942655 2.6384283767 0.9910460618 4E-10 1.46649296 -0.57153856 1.06443896 0.33023628 -0.56596769 1.31321911 0.34198698 3.32570313 0.79586203 3.05343922 0.5787923 -1.17120972 -20.96035067 -57.01240877 -86.51457736 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 587-85-9 11488 144211643 F A Diphenylmercury(II) c1ccccc1[Hg]c2ccccc2 Tox21_301326 -NCGC00255971-01 196700632 tox21-ror-cho-viability-p1 set1 4 30.6378586933 8.9105414879 -1.4105414879 7.5 4.9549173134 0.6665202231 0.0555939367 -1.38107122 3.96516754 -3.10248739 -4.92545124 -1.12293417 -0.07433125 -0.184401 -1.29341692 -2.29845569 -1.46390969 -1.56712371 -3.48164019 -1.78613148 6.4793577 6.62790108 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7758-09-0 516910 144211639 Potassium nitrite [K+].[O-]N=O Tox21_301322 -NCGC00255407-01 196701040 tox21-ror-cho-viability-p1 set1 4 61.130564862 -19.176478292 -2 -21.176478292 3.9294729863 0.6041716281 0.0942679626 -4.39697404 -5.23000746 -8.09144958 -1.37553855 0.72844487 -2.63603749 -0.83365574 -2.91777107 -4.68751461 -5.53618132 1.1913676 5.58797593 -0.27649107 -5.08552643 -18.06373191 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1987-50-4 16143 144211865 A A 4-Heptylphenol Oc1ccc(CCCCCCC)cc1 Tox21_301548 -NCGC00256246-01 196701045 tox21-ror-cho-viability-p1 set1 4 -1.79173958 2.40961517 3.82102425 0.2254685 5.36142907 3.88881057 2.16305899 3.53507605 2.78276948 4.33200702 3.96815366 0.59804697 3.96883078 1.3413416 4.12716441 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67024-46-8 106701 144211549 A Fns Propan-2-yl 2-ethylhexanoate CC(C)OC(=O)C(CCCC)CC Tox21_301232 -NCGC00255834-01 196701462 tox21-ror-cho-viability-p1 set1 -1.1 1.3685428777 -92.2534520776 -1.451569503 -93.7050215806 2.7202212143 0.9913849787 3E-10 -10.10277841 0.70795488 1.04702026 0.33634171 3.11135184 -2.0192046 0.83087348 -7.54160516 -15.45769904 -54.43599583 -94.89715924 -91.88226428 -93.17060228 -96.40434319 -89.6349374 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-64-5 16683023 144212321 A Phenylmercuric lactate CC(O)C(=O)O[Hg]c1ccccc1 Tox21_302004 -NCGC00258328-01 196702285 tox21-ror-cho-viability-p1 set1 4 3.35568265 2.2597645 3.15333052 5.91606335 0.26693539 -1.35286757 5.45713925 2.87707396 11.54477162 4.33790355 1.59490056 0.11788194 13.75812796 1.99465474 -0.33143285 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.9669999999E-8 6.635E-8 1.484E-7 3.318E-7 7.4189999999E-7 0.000001659 0.000003709 0.000008294 0.00001855 0.000041469999999 0.00009273 540-59-0 10900 144207972 FNS 1,2-Dichloroethylene ClC=CCl Tox21_200774 -NCGC00258649-01 196702296 tox21-ror-cho-viability-p1 set1 4 7.96589831 1.98351003 1.4005063 0.15057039 -0.673776 -0.18190719 0.50859547 5.427263 -0.1168308 4.54486742 -4.49027686 -6.16977541 0.54989557 5.20057848 7.65702843 1.173E-9 2.622E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.3299999999E-7 0.0000016389999999 0.000003665 0.000008195 0.00001832 0.000040969999999 0.00009162 504-20-1 10438 144208295 A Ac Phorone C\C(C)=C/C(=O)/C=C(/C)C Tox21_201097 -NCGC00258708-01 196702304 tox21-ror-cho-viability-p1 set1 4 1.45083744 2.37255529 3.25785651 3.10745705 -0.05485699 1.38500121 4.49225006 4.42058335 5.4004005 -10.15803019 0.15036339 2.34799879 4.30760142 1.75913351 4.23579026 1.1759999999E-9 2.63E-9 5.8799999999E-9 1.315E-8 2.94E-8 6.574E-8 1.4699999999E-7 3.2869999999E-7 7.35E-7 0.0000016439999999 0.0000036749999999 0.000008218 0.000018379999999 0.00004109 0.00009188 56425-91-3 73668 144208354 A A Flurprimidol OC(C(C)C)(c1cncnc1)c2ccc(OC(F)(F)F)cc2 Tox21_201156 -NCGC00163953-03 196702305 tox21-ror-cho-viability-p1 set1 -2.2 64.8164987557 -42.570727484 -1.3021083329 -43.8728358169 2.8472712143 0.798400893 0.008219836 -3.9436705 -1.14037062 1.16748061 2.39740292 -1.12227261 -7.71916355 -0.24781204 -9.57151137 9.21214376 -0.61177295 0.51715106 -3.62807518 -4.09042202 -10.91082214 -33.80893957 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00163774-04 196703975 tox21-ror-cho-viability-p1 set1 4 -3.13380507 -1.70403261 -4.0939148 -0.11178911 -1.64396697 -11.69838101 -4.22926341 -0.14458079 -12.40503904 0.95366613 0.92417238 -0.76464788 -5.63904024 -3.80558621 -4.27290909 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00260389-01 196703149 tox21-ror-cho-viability-p1 set1 4 0.0043497272 27.981997628 -28.481997628 -0.5 4.9549173134 0.9167422235 0.1335481757 -83.27752656 -30.40166469 -1.72574574 -2.00388264 2.49671388 -3.48868576 0.57619337 2.35572559 -1.11360993 -1.34683293 -2.33486214 -0.17007801 -0.3583162 -1.61738933 -2.65023234 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.961E-8 6.622E-8 1.481E-7 3.311E-7 7.4029999999E-7 0.000001655 0.000003702 0.0000082769999999 0.00001851 0.00004138 0.00009254 5392-28-9 79358 144210041 F tetra-Aminopyrimidine sulfate Nc1c(N)nc(N)nc1N.O=S(=O)(O)O Tox21_202843 -NCGC00164449-04 196703167 tox21-ror-cho-viability-p1 set1 4 -3.66714446 -5.34816269 -8.68993798 -7.88282441 -1.23603292 -2.00399011 -7.40444229 3.53133084 -12.04438059 -9.2633642 -11.9471921 -6.97074821 -7.75635067 0.48048125 -7.31585402 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00091086-02 196703579 tox21-ror-cho-viability-p1 set1 4 -0.27934537 0.12534761 -0.45042432 -1.45019586 -2.49929498 -2.38893409 -0.03471916 -1.4495703 -2.17442684 -5.28815953 -0.50104263 -1.62955742 0.27267928 2.537771 3.39683063 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00090952-07 196711266 tox21-ror-cho-viability-p1 set2 4 55.4259289229 20.3064661079 -4.3064661079 16 1.34431 0.404171567 0.2680165381 -0.6046426 0 -5.17156485 -1.34625721 -0.61175074 -0.9315754 -7.59543692 -16.92205509 -10.21126081 0.2624041 -3.62572467 0 0 0.76264512 10.69569219 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00255285-01 196710853 tox21-ror-cho-viability-p1 set2 4 2.29115422 4.38756036 -0.00233932 -1.15088419 1.5155719 0.08340109 -1.00275952 -1.4555743 -1.07533088 0.5811099 -1.33895768 -0.59637354 2.49286636 2.35307005 1.19728436 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 630-93-3 657302 144212655 A A Diphenylhydantoin sodium [Na+].O=C1[N-]C(=O)C(N1)(c2ccccc2)c3ccccc3 Tox21_302338 -NCGC00357042-01 196711258 tox21-ror-cho-viability-p1 set2 4 -0.66150958 -8.32429287 -1.22742384 -19.57173308 -6.24326128 -1.6079905 -6.35321368 -1.79963061 -8.66396209 1.48467464 -11.00055908 -8.03146081 0 -23.29681508 6.86032815 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 763-32-6 12988 251919942 A 3-Methylbut-3-en-1-ol C=C(C)CCO Tox21_303733 -NCGC00356959-01 196712098 tox21-ror-cho-viability-p1 set2 4 0.08582156 -0.59646506 -0.55328869 -2.79215835 -0.00864454 0.83991391 -1.47019909 2.08627842 -1.16958687 3.55267281 3.39002357 4.35384811 -4.93814782 3.91661627 2.85019561 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123-02-4 31238 251919699 F 1-Phenyltridecane CCCCCCCCCCCCCc1ccccc1 Tox21_303706 -NCGC00357259-01 196712105 tox21-ror-cho-viability-p1 set2 -1.1 27.3060203028 -81.1328614566 -3.702152669 -84.8350141256 4.9549173134 0.9540929961 0.0000052541 -1.38894146 -2.17633552 -6.35004533 -0.95814717 -2.58292038 -1.11319213 -11.22783585 0.65268893 -6.46847389 0.43193301 1.15577287 -19.87658326 -7.92489749 -80.27312452 -80.86575382 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4221-68-5 21943953 251919832 A 1,1-Bis(3-cyclohexyl-4-hydroxyphenyl)cyclohexane Oc2ccc(cc2C1CCCCC1)C3(CCCCC3)c5cc(C4CCCCC4)c(O)cc5 Tox21_303717 -NCGC00260664-01 196712106 tox21-ror-cho-viability-p1 set2 4 10.5909294584 -13.7429092159 0 -13.7429092159 3.5117481694 0.8284123866 0.0041520898 0.18452372 -0.23765946 -3.67379196 -2.65027671 1.33118195 -0.26088577 0.43081557 1.32510806 0.50400422 3.13197769 2.49344323 -2.71805589 -3.63748193 -16.03575768 -11.37279474 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49560 144210317 M M NTP Mix29 AR2 5-EQP-HF Tox21_203119 -NCGC00181342-02 196712503 tox21-ror-cho-viability-p1 set2 4 8.4126743008 13.36353538 -5.36353538 8 0.2 0.6337168329 0.0763685832 -5.30294615 -2.89980953 -3.2010945 -4.22453864 -0.37010842 -0.05184523 -0.08403831 -1.27691159 -1.89570664 -0.13079598 -1.1688711 0.09210128 -0.02149298 0.7154663 5.60373779 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 89396-94-1 5485193 170466024 A Imidapril hydrochloride Cl.OC(=O)[C@@H]2CN(C)C(=O)N2C(=O)[C@H](C)N[C@@H](CCc1ccccc1)C(=O)OCC Tox21_112801_1 -NCGC00015513-11 196712506 tox21-ror-cho-viability-p1 set2 4 -0.03938572 2.25598272 0.71165286 2.07963509 1.46305247 -0.72358599 0.46846164 2.70717791 -1.19666468 0.07420176 2.27183205 0.76586957 -0.15653824 2.95747286 2.75708014 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-45-6 774 170465001 Z Histamine dihydrochloride NCCc1cncn1 Tox21_110166_1 -NCGC00344531-01 196712512 tox21-ror-cho-viability-p1 set2 4 1.13909189 1.45393528 -0.11350068 2.37673771 1.15594736 3.7669431 -0.2256847 -0.41105232 1.31190118 0.20008991 -0.03022642 2.45030493 3.08666988 5.23642793 1.84626192 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23651-95-8 6999030 170465890 Z Droxidopa Oc1ccc(cc1O)[C@H](O)[C@H](N)C(=O)O Tox21_112167_1 -NCGC00253588-01 196712923 tox21-ror-cho-viability-p1 set2 -2.1 2.9849294812 -90.2283569803 8.730457196 -81.4978997843 0.4 0.9740352624 2.13E-7 1.91118785 3.15941437 1.93778902 3.65002291 3.31160523 1.08746585 -7.92392867 -16.68152823 -21.05588085 -27.51045099 -29.36123052 -35.75312623 -40.83818887 -58.79154202 -61.74083317 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 292618-32-7 9577124 170465615 I F Gimatecan CC(C)(C)O\N=C\c1c3CN4C(=O)C=5COC(=O)[C@](O)(CC)C=5C=C4c3nc2ccccc12 Tox21_113726 -NCGC00253760-01 196713382 tox21-ror-cho-viability-p1 set2 4 29.8492948118 -11.5639465079 -1.5 -13.0639465079 3.1319983358 0.8262032697 0.0045231691 -2.13025431 -1.46739622 -0.75080535 -2.23359727 0.47146381 -0.98706162 -0.30279337 -0.99490893 -3.06167239 -2.33673253 -1.86486826 -3.15047741 0.51751268 -4.56640103 -10.88662209 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54029-12-8 83969 170466291 A A Albendazole oxide CCCS(=O)c1cc2nc(NC(=O)OC)nc2cc1 Tox21_113873 -NCGC00094521-05 196713362 tox21-ror-cho-viability-p1 set2 -2.1 61.130564862 -77.2852906186 -2.777712173 -80.0630027916 2.7867712143 0.9712028402 3.849E-7 0.11879812 -1.58838121 0.9869681 -4.3632191 -3.27388108 -3.39200918 -2.04612864 -0.80861362 -4.41914649 -0.34801305 -2.71358988 -9.15786793 -9.66683361 -19.9705194 -61.79015363 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00249912-01 196713364 tox21-ror-cho-viability-p1 set2 4 21.1316824289 -11.442637668 4 -7.442637668 0.4 0.5975874151 0.101093318 4.90310645 1.72102955 3.69230965 6.97729239 1.58535843 1.4062796 3.23884101 2.57446224 2.07139866 -0.23055893 2.54243937 1.64568167 -0.11087997 -4.53553139 -1.54251828 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23779-99-9 3360 170465681 I F Floctafenine OCC(O)COC(=O)c3ccccc3Nc1ccnc2c(cccc12)C(F)(F)F Tox21_113688 -NCGC00016626-04 196722317 tox21-ror-cho-viability-p1 set3 4 37.5780357627 13.84584672 1.15415328 15 4.9549173134 0.7098431107 0.0344113797 3.15834774 5.27227573 -1.5382056 0.50056702 0 0 0 0 1.60054605 2.69867981 2.72606664 2.41448008 -0.43296536 -0.40277952 12.82202746 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3413-64-7 3083802 170466594 A Mefexamide hydrochloride Cl.CCN(CC)CCNC(=O)COc1ccc(cc1)OC Tox21_111353_1 -NCGC00258946-01 196721520 tox21-ror-cho-viability-p1 set3 4 26.3646215228 14.4625352919 -0.9625352919 13.5 4.9549173134 0.7275686347 0.0270357859 -0.73279043 1.82228981 3.29484721 1.69708243 -3.0305311 -3.32582276 -4.96877941 -2.1907236 -3.52716408 3.77351673 -2.48489034 -0.89293357 -2.19693561 15.20686342 10.6884714 1.146E-9 2.563E-9 5.7309999999E-9 1.281E-8 2.865E-8 6.407E-8 1.433E-7 3.203E-7 7.163E-7 0.000001602 0.0000035819999999 0.000008009 0.00001791 0.000040039999999 0.00008954 72178-02-0 51556 144208593 A A Fomesafen Clc2cc(ccc2Oc1cc(C(=O)NS(C)(=O)=O)c(cc1)[N+]([O-])=O)C(F)(F)F Tox21_201395 -NCGC00259208-01 196721902 tox21-ror-cho-viability-p1 set3 4 -2.72352832 2.27605947 0.10443503 -2.57252983 -1.54285819 -1.74579189 -0.35071088 -0.41049947 -3.66169686 -4.04836128 -0.49513755 -0.56712867 -2.50325971 0.32072453 3.55537974 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.552E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.0000036629999999 0.00000819 0.00001831 0.00004095 0.000091569999999 100-21-0 7489 144208857 A A Terephthalic acid OC(=O)c1ccc(cc1)C(=O)O Tox21_201659 -NCGC00258847-01 196722303 tox21-ror-cho-viability-p1 set3 4 -15.32470273 -8.71985934 -6.83368104 3.91565291 -11.10920425 -8.57590185 -1.93220118 -2.59937959 -7.77316966 -8.03666502 -10.53812888 -4.14487846 -10.3691918 3.46509284 -0.97712267 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 13684-63-4 24744 144208493 D Phenmedipham O=C(Oc1cccc(c1)NC(=O)OC)Nc2cc(C)ccc2 Tox21_201295 -NCGC00166047-03 196722320 tox21-ror-cho-viability-p1 set3 2.4 29.8492948118 26.268403188 0.231596812 26.5 3.6772481694 0.7987714789 0.0081919352 2.92725363 2.65049788 0.83848188 0.2798387 4.03299584 1.8034292 4.46420796 -0.73926614 -1.18976379 -0.48853063 -6.89033599 -2.72716089 1.09142768 5.79062907 21.97191801 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13426-94-3 9855548 170466761 Z N-Methylbenzylamine hydrochloride Cl.CNCc1ccccc1 Tox21_111541_1 -NCGC00167539-03 196722321 tox21-ror-cho-viability-p1 set3 4 1.53565562 2.11327265 -1.11613343 -2.33638792 -0.59121683 -2.3337607 2.61232985 4.4599931 -5.86747386 1.846057 15.19824791 -3.74884936 -4.72880385 5.79614876 0.95759073 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 120-72-9 798 170465733 F Indole c1cccc2nccc12 Tox21_112536_1 -NCGC00015798-11 196722728 tox21-ror-cho-viability-p1 set3 4 0.5955717307 9.71891654 -0.71891654 9 4.9549173134 0.6419999544 0.0690604208 0.72319322 0.7918736 0.41749403 0 -7.68243045 1.8448187 0 -0.96776323 -3.21834957 9.71742415 11.72341573 7.55975257 3.91636976 3.93782271 15.30512433 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5051-22-9 21138 170464682 A Dexpropranolol CC(C)NC[C@@H](O)COc2cccc1ccccc12 Tox21_110435_1 -NCGC00160443-02 196722733 tox21-ror-cho-viability-p1 set3 4 0.2984929481 10.562503176 -4.562503176 6 4.9549173134 0.7109871877 0.0334469856 3.93426405 -6.0139412 -4.79500709 -4.07315327 -7.55208598 -5.36808091 -7.07315815 -6.75233096 3.73028075 5.03368642 2.29834726 5.11695121 2.6544804 11.1506324 9.57521052 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7413-36-7 6317 170466210 A Nifenalol O=[N+]([O-])c1ccc(cc1)C(O)CNC(C)C Tox21_113084_1 -NCGC00254290-01 196719896 tox21-ror-cho-viability-p1 set3 4 0.0123461488 13.738886328 -13.738886328 0 0.5 0.7696498952 0.0143482558 -10.01827067 -11.44907194 -6.66942054 -4.1998846 -5.8630233 -8.16010029 -0.61838661 -2.68506837 -1.65848021 -0.65877166 1.41363028 -2.45654839 -2.35452251 -0.67092637 1.78782921 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 4455-26-9 78202 144210686 FC N-Methyldioctylamine CN(CCCCCCCC)CCCCCCCC Tox21_300368 -NCGC00257362-01 196719482 tox21-ror-cho-viability-p1 set2 4 1.84986675 1.34447836 0.69224046 5.49475364 0.64903126 3.82792498 -0.49397147 -0.01360546 -6.17157234 0.26983044 0.20697296 -0.33975129 1.49060203 2.10593342 2.41905894 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-03-2 12301 144213696 A Ethoxyacetic acid O=C(O)COCC Tox21_303384 -NCGC00091643-08 196719496 tox21-ror-cho-viability-p1 set3 -2.2 19.3311819617 -62.3453646399 12.030859924 -50.3145047159 0.9999999999 0.9437249261 0.0000159943 20.07222858 6.93537536 12.11591515 7.69419453 7.91109975 16.27274398 5.46172173 13.51621215 15.21757215 5.70721972 -0.73850323 -3.85152422 -20.49477857 -28.80851248 -40.23637066 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00090952-07 196719890 tox21-ror-cho-viability-p1 set3 4 0.1392236388 13.5 4 17.5 0.7999999999 0.375843383 0.2949237968 10.54506879 9.07637661 0.96951312 6.45659502 7.84883131 11.12115731 4.08906816 14.5244384 16.47556266 19.5596665 19.51362854 21.16178031 2.43078702 24.04529581 14.7936269 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00254354-01 196719901 tox21-ror-cho-viability-p1 set3 4 0.1574008522 13.726485652 -9.726485652 4 0.2 0.4010611651 0.2728483273 -7.66711886 -4.92243884 -8.10540471 1.32016624 -6.87658722 -4.99072075 1.73357774 -5.73935576 -1.79191418 -1.14215639 -5.53449748 1.53236715 -0.19875526 0.22333026 2.21643183 7.456E-10 1.667E-9 3.7279999999E-9 8.336E-9 1.864E-8 4.168E-8 9.32E-8 2.0839999999E-7 4.66E-7 0.000001042 0.00000233 0.00000521 0.00001165 0.00002605 0.00005825 85532-75-8 1345 144210937 A A PK 11195 CC(CC)N(C)C(=O)c2cc1ccccc1c(n2)c3ccccc3Cl Tox21_300620 -NCGC00167526-02 196704781 tox21-ror-cho-viability-p1 set1 4 0.11596579 -1.44890699 1.97084865 1.91188838 -0.42279558 -6.22706598 0.1709839 -1.14190669 -0.28319874 -10.38151375 -6.06125894 0.26391365 -0.38749053 0.05171062 0.45596582 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59721-29-8 5284360 170465784 A Camostat O=C(Oc1ccc(cc1)CC(=O)OCC(=O)N(C)C)c2ccc(NC(=N)N)cc2.CS(=O)(=O)O Tox21_112523_1 -NCGC00260429-01 196703948 tox21-ror-cho-viability-p1 set1 4 0.0015480313 10.0401750999 -10.0401750999 0 4.0949729863 0.6330996762 0.076890624 -7.53347925 -0.73677697 -1.17863897 -0.32620128 -0.02290522 -1.31229783 0.05807806 0.98754636 0.0198226 0.17219818 -1.12605508 -1.68520849 4.55854483 1.59199188 -0.51250755 1.188E-9 2.656E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.639E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.0000037109999999 0.000008299 0.00001856 0.00004149 0.00009278 97-96-1 7359 144210081 F 2-Ethylbutyraldehyde CCC(CC)C=O Tox21_202883 -NCGC00167442-03 196704377 tox21-ror-cho-viability-p1 set1 4 0.10895247 1.6786283 1.62317861 0.17956279 2.54866794 -0.19793754 0.19368071 1.09967349 1.10259288 0.12861464 0.31085623 -0.65687389 0.85577496 1.98604679 3.62941276 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 106463-17-6 5362376 170464826 A Tamsulosin hydrochloride Cl.O=S(N)(=O)c1cc(ccc1OC)C[C@@H](C)NCCOc2ccccc2OCC Tox21_112446_1 -NCGC00093347-05 196704389 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -18.886706464 0 -18.886706464 1.8579476909 0.5220275565 0.1597672479 8.29384444 -1.06943431 0.62975858 -1.44763778 3.15008933 -2.88281365 -2.28348351 2.57480846 -0.12020021 -0.33860383 -6.079832 2.10069227 -2.71322832 -4.53729368 -12.40558872 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72-33-3 6291 170465357 F Mestranol COc3cc4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@@]1(O)C#C)c4cc3 Tox21_111200_1 -NCGC00249610-02 196704786 tox21-ror-cho-viability-p1 set1 4 -0.19241009 0.25550922 0.14024662 0.15012677 -0.3202566 -0.37393752 0.72536228 -0.13370084 -3.67691985 -0.17797888 -0.53353385 1.83750221 0.39360514 0.26385607 2.99360508 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69388-79-0 50491 170466792 A Pivoxil Sulbactam O=S1(=O)C2CC(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)C1(C)C Tox21_113082_1 -NCGC00259600-01 196705651 tox21-ror-cho-viability-p1 set1 4 1.7246456494 -4.6299843 3 -1.6299843 4.9549173134 0.4160726327 0.2590196083 3.81702171 1.23143921 5.61971471 -0.14585126 5.34984894 0.11258601 0.84194665 1.17882549 7.8389061 0.43638298 -3.91018957 -0.32665912 0.00853442 0.78740834 -5.10832025 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.0000036909999999 0.000008252 0.000018449999999 0.000041259999999 0.00009226 122-40-7 31209 144209249 A A Pentylcinnamaldehyde O=CC(CCCCC)=Cc1ccccc1 Tox21_202051 -NCGC00247727-01 196705222 tox21-ror-cho-viability-p1 set1 4 -3.73221357 0.40582786 -3.55512677 -3.45821274 0.13850862 -3.08891043 -0.94586768 -1.52663579 1.02060052 0.24845743 -2.98005649 1.10009632 -0.18000761 -1.77646965 0.93767866 1.167E-9 2.609E-9 5.8339999999E-9 1.304E-8 2.917E-8 6.522E-8 1.458E-7 3.261E-7 7.2919999999E-7 0.000001631 0.000003646 0.000008153 0.00001823 0.000040759999999 0.00009115 7558-73-8 24721009 144206446 A A N,N-Dipropyltryptamine hydrochloride Cl.CCCN(CCC)CCc2cnc1ccccc12 Tox21_112893 -NCGC00015443-17 196705229 tox21-ror-cho-viability-p1 set1 4 -2.11574908 -2.52063238 -2.08214051 -1.71403083 1.36493437 1.11561831 -0.8377343 0.30958411 -2.22671736 0.23197446 -3.8594743 -0.5392846 -3.07147289 1.64802107 -2.07318829 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54143-55-4 3356 170464874 A Flecainide acetate FC(F)(F)COc2cc(C(=O)NCC1CCCCN1)c(OCC(F)(F)F)cc2 Tox21_110151_1 -NCGC00015830-08 196705236 tox21-ror-cho-viability-p1 set1 4 -5.68476056 -0.17500274 0.80397565 -7.32000607 -3.94531606 0.5374927 -0.9732663 -0.19778467 -4.28810491 0 0.09444316 -5.34926891 -0.96551983 -0.9468509 -0.70052414 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 156-51-4 61100 170465229 Z Phenelzine O=S(=O)(O)O.NNCCc1ccccc1 Tox21_110236_1 -NCGC00259221-01 196705657 tox21-ror-cho-viability-p1 set1 4 5.9042207 -0.33644167 -4.56741703 3.87661442 -1.21071814 -6.17484049 4.63220099 -1.16134409 -3.6580012 -2.071132 5.24673329 -0.00121433 -0.62839613 0.32198845 0.02040835 1.172E-9 2.6199999999E-9 5.859E-9 1.31E-8 2.929E-8 6.55E-8 1.465E-7 3.275E-7 7.324E-7 0.0000016379999999 0.000003662 0.000008188 0.00001831 0.00004094 0.00009154 2530-83-8 17317 144208870 F Trimethoxy[3-(oxiran-2-ylmethoxy)propyl]silane CO[Si](CCCOCC1CO1)(OC)OC Tox21_201672 -NCGC00259940-01 196706057 tox21-ror-cho-viability-p1 set1 4 5.9673831 8.0905111 2.22070897 10.4781969 9.00393949 4.54928868 3.07198892 -1.09100793 5.27095666 7.88338072 1.24510892 0.01948595 3.69022216 2.66965103 3.10436333 1.206E-9 2.6979999999E-9 6.032E-9 1.349E-8 3.016E-8 6.744E-8 1.5079999999E-7 3.372E-7 7.54E-7 0.0000016859999999 0.00000377 0.0000084299999999 0.00001885 0.000042149999999 0.00009425 99-75-2 7455 144209589 A A Methyl 4-methylbenzoate COC(=O)c1ccc(C)cc1 Tox21_202391 -NCGC00259153-01 196706061 tox21-ror-cho-viability-p1 set1 4 -7.82721346 -3.98837213 -5.95533102 -6.12998808 3.49207579 -2.7768253 0.37020349 -5.59847071 -5.97145204 -7.47206503 -12.09204496 -1.77417132 0.28030008 1.77813186 -1.28289186 1.158E-9 2.589E-9 5.789E-9 1.2949999999E-8 2.8949999999E-8 6.473E-8 1.447E-7 3.2359999999E-7 7.237E-7 0.000001618 0.000003618 0.000008091 0.000018089999999 0.00004046 0.000090459999999 503-74-2 10430 144208802 A A Isovaleric acid CC(C)CC(=O)O Tox21_201604 -NCGC00254206-01 196699288 tox21-ror-cho-viability-p1 set1 4 2.4325868 -1.75294963 1.0139526 0.33451158 0.51460302 -3.4117655 1.17454479 -0.45766686 -3.01053364 0.94358577 0.72109451 -1.66420556 -0.58172488 0.87935186 1.81259968 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4418-26-2 23675081 144210395 A A Sodium dehydroacetate [Na+].C/C([O-])=C1/C(=O)C=C(C)OC1=O Tox21_300075 -NCGC00183011-01 196725377 tox21-ror-cho-viability-p1 set3 4 13.3331902297 -21.975868004 -1 -22.975868004 4.4494702849 0.5582407465 0.1441685672 -14.99352101 0 -2.38648289 -4.75383834 -4.59435182 4.0074821 2.91107746 1.64274277 -5.1686302 1.78012746 2.81535816 3.29836661 -0.88097274 -24.14655667 0.24368342 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123258-84-4 6918106 144206831 A C Itasetron CN4[C@@H]1CC[C@H]4C[C@H](C1)NC(=O)N2c3ccccc3NC2=O Tox21_113280 -NCGC00090858-02 196725787 tox21-ror-cho-viability-p1 set3 4 3.02774728 4.9943046 -0.28539733 7.07743696 4.93480246 11.0447299 -4.85203539 16.04397822 12.9316579 17.23249908 8.80202651 7.67492482 9.3921587 -0.00322784 -4.25322799 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00016529-07 196725799 tox21-ror-cho-viability-p1 set3 2.2 1.8833631789 53.4849481566 -0.8891485904 52.5957995662 0.4 0.8846355325 0.0006511646 0.85489346 0.0734007 -3.04089536 6.79123043 15.01073075 8.16001647 12.41073995 14.7483249 4.63018778 20.64507905 31.28392025 32.66065728 32.31941107 41.76058781 39.02147656 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 637-58-1 73957 170465004 A Pramoxine hydrochloride Cl.CCCCOc1ccc(cc1)OCCCN2CCOCC2 Tox21_110477_1 -NCGC00254222-01 196699280 tox21-ror-cho-viability-p1 set1 4 30.6378586933 9.3839791439 -2.3839791439 7 2.4063783767 0.3961835871 0.296187251 -1.72579966 -0.39242356 -2.38811992 -9.06998262 -4.3382889 -2.22924111 0.3541731 -2.05044773 -0.49943568 -3.7378952 -1.1152341 -1.49930368 -0.79607478 4.39962589 -4.49021262 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 439687-69-1 9895468 144210560 A A Nelivaptan CN(C)C(=O)[C@@H]1C[C@@H](O)CN1[C@]3(c2cc(Cl)ccc2N(C3=O)S(=O)(=O)c4ccc(OC)cc4OC)c5ccccc5OC Tox21_300240 -NCGC00159417-06 196699281 tox21-ror-cho-viability-p1 set1 -2.1 31.355862613 -82.8686013766 0.532134919 -82.3364664576 2.7867712143 0.9895936358 1E-9 1.8173222 0.15093744 -0.51754174 0.04256894 1.14091259 0.30964923 0.93852066 2.06018919 3.91149825 0.6374905 0.18701301 -5.07667606 -16.29744726 -53.44350891 -85.76715256 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00254137-01 196699284 tox21-ror-cho-viability-p1 set1 4 0.58672685 1.54791224 1.14638505 0.74905604 -0.44287245 1.19828169 0.77649926 0.05371875 -0.36747611 0.6551108 1.16554444 0.51804476 3.10410641 6.56280368 6.04930873 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7632-00-0 23668193 144210345 Sodium nitrite [Na+].[O-]N=O Tox21_300025 -NCGC00254717-01 196699292 tox21-ror-cho-viability-p1 set1 4 2.31882497 -0.27297229 -0.73374909 -0.23080329 -0.4316894 2.29143095 1.72774976 5.01291683 1.62194482 -1.20110632 0.34056431 0.43093846 2.52161104 -0.25999445 1.17041511 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 102-79-4 7620 144211130 A A N-Butyldiethanolamine OCCN(CCCC)CCO Tox21_300813 -NCGC00254720-01 196699705 tox21-ror-cho-viability-p1 set1 4 54.0950609677 15.682947672 -1.682947672 14 2.9022712143 0.7622247703 0.0162603948 -3.93064315 -3.03819299 0.59620079 0.39289119 -4.31912306 -3.74081438 -1.53488538 1.51156078 -2.30534412 1.99155877 -2.31834951 -2.67184149 -0.91759993 3.27112435 11.37197296 1.173E-9 2.622E-9 5.863E-9 1.311E-8 2.9319999999E-8 6.5549999999E-8 1.466E-7 3.2779999999E-7 7.329E-7 0.0000016389999999 0.000003665 0.000008194 0.00001832 0.000040969999999 0.00009161 826-36-8 13220 144211133 A Ac 2,2,6,6-Tetramethyl-4-piperidone O=C1CC(C)(C)NC(C)(C)C1 Tox21_300816 -NCGC00255575-01 196700105 tox21-ror-cho-viability-p1 set1 4 43.2771256911 -11.8921116279 0 -11.8921116279 2.7202212143 0.6795641281 0.0485042696 -0.47321523 0.14015781 0.08163721 1.85540031 -6.62722859 1.56174885 1.92749676 0.62069227 -0.0593518 1.3570765 -0.08012615 0.33277613 0.98318863 -6.47883084 -10.32675969 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 366-18-7 1474 144211747 A Ac 2,2'-Dipyridyl c1nc(ccc1)c2ccccn2 Tox21_301430 -NCGC00255304-01 196700113 tox21-ror-cho-viability-p1 set1 4 -1.57012869 -3.38301739 -2.44302058 0.42378113 -0.57544166 1.72975609 0.7986504 0.34598594 3.48479623 3.22277227 1.01678297 3.90637828 1.45370285 1.4998248 5.09773917 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14816-18-3 9570290 144211897 A B Phoxim CCOP(=S)(O\N=C(/C#N)c1ccccc1)OCC Tox21_301580 -NCGC00260675-01 196711318 tox21-ror-cho-viability-p1 set2 4 -0.98582384 -10.15733083 -6.58585229 -4.71170366 -0.05856052 -18.44589459 -7.75485325 -11.42245441 -8.92532727 0 -6.48942331 -23.05694188 2.08535271 2.9828624 -19.28282424 5.881E-11 1.3149999999E-10 2.9399999999E-10 6.575E-10 1.4699999999E-9 3.288E-9 7.351E-9 1.644E-8 3.676E-8 8.219E-8 1.838E-7 4.1089999999E-7 9.189E-7 0.000002055 0.000004594 7787-59-9 6328152 144209977 Bismuth oxychloride Cl[Bi]=O Tox21_202779 -NCGC00357026-01 196711320 tox21-ror-cho-viability-p1 set2 -1.2 7.6958821542 -27.3377757016 -0.5 -27.8377757016 4.9549173134 0.8124972085 0.0060430477 -1.35034055 2.55870288 0.18124488 -0.86706042 -1.01906883 0.02774723 0.23990087 -9.84999231 0.79276109 1.13098181 3.25156643 -17.15870466 -32.06281571 -13.74331531 -36.71163774 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 716-79-0 12855 251919938 A 2-Phenylbenzimidazole c1cccc2nc(nc12)c3ccccc3 Tox21_303711 -NCGC00256029-01 196710902 tox21-ror-cho-viability-p1 set2 4 -2.51116337 2.0102282 -3.83227236 -5.28750221 -2.25799851 -5.13088748 -6.79889168 -2.2353164 -6.48644584 -2.17147399 -8.26045321 -0.81240245 -1.28339541 -0.77140378 1.70247834 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 64063-37-2 116529 144212572 A A 2,6-Dichloro-3-methylaniline Clc1c(C)ccc(Cl)c1N Tox21_302255 -NCGC00255286-01 196710912 tox21-ror-cho-viability-p1 set2 4 2.5508622 -3.0214237 -0.91269691 -3.72008558 -3.42263118 -0.93506227 -0.70905264 -0.86434876 -4.68408343 -0.55770731 -2.52306158 -5.08984812 -7.7749227 0.33515009 0.29746338 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55512-33-9 41463 144211564 D Pyridate O=C(SCCCCCCCC)Oc2cc(Cl)nnc2c1ccccc1 Tox21_301247 -NCGC00357129-01 196711729 tox21-ror-cho-viability-p1 set2 4 76.9588215421 13.6849916 0.3150084 14 4.9549173134 0.4896390599 0.189412608 -1.10159245 -2.47964416 -1.17137154 -0.33945704 4.87040696 2.43480856 0.7193643 1.36296582 1.81068156 0.95316767 -4.737493 -1.92978464 5.20677651 -0.56575441 10.43917988 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-53-4 241582 251919868 A 4-Chlorophenylacetonitrile Clc1ccc(CC#N)cc1 Tox21_303864 -NCGC00260285-01 196711733 tox21-ror-cho-viability-p1 set2 2.4 68.5896218971 25.5 3 28.5 3.9899729863 0.8989078403 0.0003434725 0.37431134 0.70997452 3.64440858 2.69237795 1.66546624 0.78457277 3.94433804 4.30143697 6.46459632 3.8269875 4.90958914 4.25165617 2.46881871 5.6184288 22.69995139 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-82-7 7957 144209935 A A 2,6-Dimethyl-4-heptanol CC(C)CC(O)CC(C)C Tox21_202737 -NCGC00357046-01 196712144 tox21-ror-cho-viability-p1 set2 4 -0.74912069 -14.12818016 -4.91845215 -5.04364184 -7.14503207 -8.1145413 -22.28094578 -29.66627227 -0.31643031 -5.96733037 -4.02768097 0 -7.55647393 -1.76871233 -16.95004315 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2460-77-7 17161 251919805 F 2,5-Di-tert-butylcyclohexa-2,5-diene-1,4-dione CC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)C Tox21_303738 -NCGC00260092-01 196712154 tox21-ror-cho-viability-p1 set2 -3 1.9567327167 -65.0931529279 -6.69164932 -71.7848022479 3.9294729863 0.9176403776 0.2558687404 -6.49321426 -3.77397277 -16.52805352 -5.33567313 -10.83952203 -16.83264436 0 -6.82447206 -37.77574135 0 -66.9164932 -30.54526281 -35.95085332 -6.50398638 -2.38869086 1.1919999999E-9 2.6649999999E-9 5.96E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.332E-7 7.45E-7 0.0000016659999999 0.000003725 0.000008329 0.00001862 0.00004164 0.00009312 79-01-6 6575 144209741 Fns Trichloroethylene Cl\C=C(/Cl)Cl Tox21_202543 -NCGC00260436-01 196712157 tox21-ror-cho-viability-p1 set2 2.2 2.9667225419 46.317115297 3.692493842 50.009609139 1.331 0.8063087836 0.0069437921 0.0469579 0.25982391 3.47167945 6.45830106 -0.32119199 4.84481096 7.37424176 5.34837392 6.55497584 5.66518414 5.57708458 10.4836483 12.47435831 11.14135945 43.89956571 5.869E-11 1.312E-10 2.9349999999E-10 6.562E-10 1.467E-9 3.2809999999E-9 7.3359999999E-9 1.64E-8 3.6679999999E-8 8.2019999999E-8 1.834E-7 4.101E-7 9.171E-7 0.000002051 0.000004585 51-65-0 4654 144210088 Fns 4-Fluoro-dl-phenylalanine Fc1ccc(CC(N)C(=O)O)cc1 Tox21_202890 -NCGC00090952-07 196712564 tox21-ror-cho-viability-p1 set2 4 0.84369747 -0.20860302 -4.23549184 -0.05439014 -0.10463039 -0.0828153 -3.69136429 0.73238255 -0.29560539 0.2781592 0.20540261 -0.62852779 0.37631366 -0.56073763 1.54258861 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00247735-02 196712571 tox21-ror-cho-viability-p1 set2 4 -0.66372375 -3.50356553 2.83614067 3.02397211 -0.43963651 -0.18029743 2.3963145 1.31255101 0.83234308 1.45036743 1.602396 2.58499157 0.45543304 1.2370266 0.56049492 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 230615-23-3 50878597 170465218 A Varenicline tartrate Cl.c1c4c(cc2nccnc12)C3CC4CNC3 Tox21_112901_1 -NCGC00163930-04 196712972 tox21-ror-cho-viability-p1 set2 4 1.17930039 -0.31119867 -0.43721255 0.06952538 0.74757332 -0.1699103 0.12379753 0.71504529 0.91395369 0.60786795 -0.32363913 0.934361 0.18173172 0.24864102 3.34311408 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00015245-10 196712980 tox21-ror-cho-viability-p1 set2 4 0.0047307944 -11.8358398319 11 -0.8358398319 3.0654483358 0.9149451435 0.0001436388 10.54004512 10.39913588 10.8750388 1.36823593 -1.64524365 0.93963076 -1.40055591 0.10183962 0.83509054 -1.89609458 0.14751969 0.25811422 -3.61319986 -2.67853862 -1.15295022 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 590-63-6 11548 170464912 Z Bethanechol chloride [Cl-].C[N+](C)(C)CC(C)OC(=O)N Tox21_112028_1 -NCGC00254679-01 196720875 tox21-ror-cho-viability-p1 set3 4 2.30446451 2.67882327 9.78460468 4.84061081 1.5794404 -8.77976315 19.09488026 4.422168 3.02577454 0.45264527 -2.32174889 2.95226203 1.03106009 2.81228799 -0.74232657 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-86-8 6951 144211092 A A 2,5-Dichloro-3-nitrobenzoic acid O=[N+]([O-])c1cc(Cl)cc(C(=O)O)c1Cl Tox21_300775 -NCGC00254198-01 196720066 tox21-ror-cho-viability-p1 set3 4 9.41531045 0.67719189 6.49022185 1.08484916 5.7722843 1.8627347 5.95774833 4.71706272 -2.61306493 -1.62555595 11.69198137 11.53832163 7.95694069 0.50224212 0.04875601 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-87-6 7833 144210631 A I 4-Vinyl-1-cyclohexene dioxide O1CC1C2CC3OC3CC2 Tox21_300311 -NCGC00254616-01 196720068 tox21-ror-cho-viability-p1 set3 4 -8.18460836 -11.91153931 -1.30022851 -3.00935871 -7.69252693 -0.89798364 0.81849544 -4.73138905 -5.63933372 -4.6007668 -1.68506174 2.13343422 -5.01503915 -4.97791229 -1.87421623 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 43222-48-6 39424 144211025 A A Difenzoquat metilsulfate Cn2[n+](C)c(cc2c1ccccc1)c3ccccc3.[O-]S(=O)(=O)OC Tox21_300708 -NCGC00254756-01 196720471 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -99.6738172187 1.5959550549 -98.0778621638 4.9549173134 0.9649892934 0.0000011616 4.92737336 0.51699062 -0.26884134 -7.19512406 -1.12815786 1.59671196 6.36581048 9.21674932 0.79410326 -1.02967249 -0.80826141 1.03684505 1.07268661 -0.78262148 -79.82370013 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-09-0 5974 144211170 A A Hexadecyltrimethylammonium bromide [Br-].C[N+](C)(C)CCCCCCCCCCCCCCCC Tox21_300853 -NCGC00254257-01 196720878 tox21-ror-cho-viability-p1 set3 4 0.0076958822 8.427685372 -7.427685372 1 4.9549173134 0.7133027164 0.0409064165 -3.73913929 -11.18973781 -6.31111453 1.56129724 -3.01147792 -0.39280114 -0.1519868 0.70506298 2.50013776 1.01790897 3.10925342 2.56982599 0.66102961 0.29385213 -15.02610397 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3739-38-6 19539 144210927 A A 3-Phenoxybenzoic acid O=C(O)c2cc(Oc1ccccc1)ccc2 Tox21_300610 -NCGC00091086-02 196720879 tox21-ror-cho-viability-p1 set3 4 12.1971512362 -15.815979584 -1.5 -17.315979584 0.5 0.4525521959 0.2221540886 -2.23375205 -8.38580157 0.06289033 3.81762986 -0.72972516 -3.12812256 1.75985447 -7.73598174 -4.13199648 -12.66595237 -4.94793375 -4.15170726 -6.96768626 -19.01331632 -10.48590795 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00259077-01 196720898 tox21-ror-cho-viability-p1 set3 4 -3.68527933 -6.06791619 0.12759957 -0.02857373 -1.23300587 -2.83670602 -6.82271744 -4.98737042 -0.76472961 6.5644759 -3.45040874 -7.04939913 -4.15340741 -2.76302244 2.06572035 1.195E-9 2.6729999999E-9 5.976E-9 1.336E-8 2.988E-8 6.682E-8 1.494E-7 3.341E-7 7.47E-7 0.0000016699999999 0.000003735 0.000008352 0.000018679999999 0.000041759999999 0.000093379999999 73-31-4 896 144208725 A A Melatonin CC(=O)NCCc2cnc1ccc(cc12)OC Tox21_201527 -NCGC00258999-01 196721276 tox21-ror-cho-viability-p1 set3 4 -4.33144806 -5.56402796 -2.90543796 -0.87344068 -4.34682271 -6.91774832 -5.83394436 -5.51348934 -13.9450094 -3.88205863 -5.73883321 -4.15168754 -6.4573582 -4.05667229 -3.73618004 1.191E-9 2.663E-9 5.954E-9 1.331E-8 2.977E-8 6.657E-8 1.489E-7 3.3279999999E-7 7.4429999999E-7 0.0000016639999999 0.000003721 0.0000083209999999 0.00001861 0.000041609999999 0.00009303 42874-03-3 39327 144208646 A A Oxyfluorfen Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F Tox21_201448 -NCGC00259993-01 196721281 tox21-ror-cho-viability-p1 set3 -2.4 50.4401937374 -31.9978494 -4.128034672 -36.125884072 0.8999999999 0.9198182271 0.0001051828 -5.79601331 -5.87775183 -3.4973666 -0.10669556 -1.76130098 -6.39596802 -4.91207853 -4.39082101 -7.32986441 -3.94851308 -7.79471997 -9.31249376 -14.34534842 -17.01778139 -26.77157006 1.218E-9 2.723E-9 6.0889999999E-9 1.3619999999E-8 3.045E-8 6.808E-8 1.522E-7 3.4039999999E-7 7.611E-7 0.000001702 0.000003806 0.00000851 0.00001903 0.00004255 0.00009514 100-02-7 980 144209642 A A 4-Nitrophenol O=[N+]([O-])c1ccc(O)cc1 Tox21_202444 -NCGC00259604-01 196721284 tox21-ror-cho-viability-p1 set3 -3 67.7534495245 -41.8322855221 -3.5 -45.3322855221 4.9549173134 0.9054018677 0.0002441284 -5.15625142 -0.91173218 2.19662028 -7.22672928 -4.43637737 -6.4444126 -6.02874807 -1.17548046 -4.76995393 1.20827991 -5.10352184 -1.92678082 -5.9649073 -5.74500396 -37.56530597 1.1679999999E-9 2.6109999999E-9 5.8389999999E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.299E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.000040799999999 0.000091239999999 89-62-3 6978 144209253 A A 4-Methyl-2-nitroaniline O=[N+]([O-])c1cc(C)ccc1N Tox21_202055 -NCGC00259533-01 196721285 tox21-ror-cho-viability-p1 set3 4 -2.91509012 3.95910794 -0.69315976 -11.92755999 -0.27020968 -1.49215102 -1.85689997 -1.72418203 -3.13942994 -2.19245146 -0.78390836 -3.6904942 -2.18992612 -3.16093981 3.41113395 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 91-23-6 7048 144209182 A A 1-Methoxy-2-nitrobenzene COc1ccccc1[N+]([O-])=O Tox21_201984 -NCGC00259267-01 196721288 tox21-ror-cho-viability-p1 set3 4 -2.96042395 -0.59763688 0.59514262 2.66531216 -2.51278815 -4.27919295 -4.22393456 -3.9945165 -1.85159185 -1.79433323 -4.2097679 3.21927219 -4.30648175 5.014973 -2.57866776 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6239999999E-8 1.481E-7 3.312E-7 7.405E-7 0.000001656 0.0000037029999999 0.000008279 0.00001851 0.0000414 0.000092569999999 25155-30-0 23707968 144208916 FNS Sodium dodecylbenzenesulfonate [Na+].O=S([O-])(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_201718 -NCGC00258294-01 196729597 tox21-ror-cho-viability-p1 set3 4 -0.28228974 2.09991463 1.88597079 3.50279095 0.30771052 -0.66150586 1.6335763 0.10765761 1.28843675 4.7272581 2.87119277 1.69352987 2.03740365 0.23991719 0.11774035 1.167E-9 2.609E-9 5.8329999999E-9 1.304E-8 2.917E-8 6.522E-8 1.458E-7 3.261E-7 7.2909999999E-7 0.0000016299999999 0.000003646 0.000008152 0.00001823 0.000040759999999 0.00009114 595-37-9 11684 144207938 A A 2,2-Dimethylbutanoic acid CC(C)(CC)C(=O)O Tox21_200740 -NCGC00255741-01 196728772 tox21-ror-cho-viability-p1 set3 4 -0.21986903 2.48598804 4.45380772 0.6520861 -0.94544569 1.84395142 3.74708508 -2.63058085 4.85717743 0.84411158 4.26560981 1.64765678 1.45833894 -1.73625138 1.86106513 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-51-0 31214 144211631 Fns Ethyl orthoformate CCOC(OCC)OCC Tox21_301314 -NCGC00256757-01 196727089 tox21-ror-cho-viability-p1 set3 4 13.6854287769 -10.736425524 0.5 -10.236425524 1.4641 0.7315763103 0.0257692219 0.92969566 0.21198136 -5.41800588 -0.0105061 1.15427547 -0.46435013 2.38782257 4.06261333 -0.0594819 2.45190901 -0.3968083 -5.09615828 -5.36570138 -7.82606838 -10.19702127 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 34161-23-4 161803 144212786 A A Fipexide hydrochloride Cl.Clc1ccc(cc1)OCC(=O)N2CCN(CC2)Cc3ccc4OCOc4c3 Tox21_302469 -NCGC00257460-01 196727098 tox21-ror-cho-viability-p1 set3 4 -0.77905064 0.00599467 -0.49191316 -5.62640968 0.47798891 -0.63941577 0.26306607 -0.95506786 0.08417133 -7.48513781 0.98976687 2.63779513 1.34383729 1.05091425 -5.56907263 8.376E-10 1.873E-9 4.188E-9 9.365E-9 2.094E-8 4.682E-8 1.0469999999E-7 2.3409999999E-7 5.2349999999E-7 0.0000011709999999 0.0000026179999999 0.000005853 0.00001309 0.00002927 0.00006544 112809-51-5 3902 144213877 C C Letrozole N#Cc1ccc(cc1)C(c2ccc(C#N)cc2)n3cncn3 Tox21_303572 -NCGC00091205-03 196729600 tox21-ror-cho-viability-p1 set3 4 -5.79903972 2.14142048 3.10869177 -5.09455672 -4.86728606 0.92383815 -3.72808646 0 -14.51978532 -14.32354845 0 0 -3.17850513 -2.81134691 0.50833157 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00258636-01 196729601 tox21-ror-cho-viability-p1 set3 4 2.66617685 -1.5887628 0.82753214 -1.39236803 -0.16612805 3.43082629 1.94278847 3.31364088 2.89169658 2.52252579 2.9781153 4.19754402 2.03052498 -2.34874135 0.9610227 1.16E-9 2.595E-9 5.802E-9 1.297E-8 2.901E-8 6.487E-8 1.451E-7 3.244E-7 7.253E-7 0.000001622 0.0000036269999999 0.000008109 0.000018129999999 0.000040549999999 0.000090659999999 2174-16-5 25213 144208282 A Ac Trolamine salicylate OC(=O)c1ccccc1O.OCCN(CCO)CCO Tox21_201084 -NCGC00258079-01 196729606 tox21-ror-cho-viability-p1 set3 4 0.0000051625 -43.52503407 -31.9622869 -20.86208834 -18.98520135 -12.42716046 -12.68724091 -7.28697384 -6.0161939 -1.82592535 -0.41454403 -6.84749967 -1.66099432 -2.38906598 2.27822671 1.69388254 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.977E-8 6.656E-8 1.4879999999E-7 3.3279999999E-7 7.441E-7 0.0000016639999999 0.000003721 0.00000832 0.0000186 0.0000416 0.000093019999999 681-57-2 12681 144207723 A A 2,2-Dimethylpentanedioic acid CC(C)(CCC(O)=O)C(=O)O Tox21_200525 -NCGC00256269-01 196727937 tox21-ror-cho-viability-p1 set3 4 3.66281834 -2.32931213 5.6565106 -6.23690888 -5.49221296 3.48309207 -13.1897634 -4.50005097 -9.75172666 -10.79313389 8.40777887 -6.69490624 -3.2825407 13.35764783 4.12672933 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66357-35-5 3001055 144212689 A A Ranitidine [O-][N+](=O)\C=C(/NC)NCCSCc1ccc(CN(C)C)o1 Tox21_302372 -NCGC00255368-01 196727939 tox21-ror-cho-viability-p1 set3 4 3.4590602625 12.8503973919 -1.8503973919 11 4.9549173134 0.581144126 0.1107859391 -2.78582764 0.85480989 1.10582936 3.38060774 -5.33582829 -6.12533116 -5.29484569 -2.01991129 -2.64124642 0.89536766 -1.76058444 16.21357761 1.72011953 20.72937806 5.97378555 8.0809999999E-10 1.8069999999E-9 4.041E-9 9.035E-9 2.02E-8 4.517E-8 1.01E-7 2.2589999999E-7 5.0509999999E-7 0.000001129 0.000002525 0.000005647 0.00001263 0.00002823 0.00006313 51-48-9 5819 144212473 A A Levothyroxine O=C(O)[C@@H](N)Cc2cc(I)c(Oc1cc(I)c(O)c(I)c1)c(I)c2 Tox21_302156 -NCGC00255256-01 196729191 tox21-ror-cho-viability-p1 set3 4 2.72906824 5.18682037 0.74416386 3.50145659 3.40791973 -1.75964245 4.43071431 0.86052836 5.41688879 -0.281373 -0.30384457 1.37435928 2.339779 1.9887019 -0.98671573 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3817-11-6 19665 144211580 A A Butyl-N-(4-hydroxybutyl)nitrosamine O=NN(CCCC)CCCCO Tox21_301263 -NCGC00258020-01 196729596 tox21-ror-cho-viability-p1 set3 4 -5.33830437 -1.79412813 -1.51197976 -1.53395644 1.03159714 -0.49882007 0.81214694 1.00444827 -1.88541675 0.53699688 -0.97152417 1.19553404 0.3372472 0.84937301 0.91724611 1.1679999999E-9 2.612E-9 5.8409999999E-9 1.3059999999E-8 2.9209999999E-8 6.531E-8 1.4599999999E-7 3.265E-7 7.3019999999E-7 0.0000016329999999 0.0000036509999999 0.000008164 0.00001825 0.00004082 0.00009127 27554-26-3 33934 144207664 A A Diisooctyl phthalate CC(C)CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C Tox21_200466 -NCGC00258253-01 196702726 tox21-ror-cho-viability-p1 set1 4 -2.45775735 -3.81264259 -7.70781301 2.40781949 -10.71677784 -6.1037791 -9.15554315 -10.32999902 -0.94444037 -7.25652377 -1.89193863 -10.67825367 -4.7101917 -3.72175658 -1.40073099 1.194E-9 2.6689999999E-9 5.968E-9 1.3339999999E-8 2.9839999999E-8 6.672E-8 1.4919999999E-7 3.3359999999E-7 7.4599999999E-7 0.000001668 0.00000373 0.00000834 0.00001865 0.0000417 0.000093249999999 52-89-1 60960 144207897 A F l-Cysteine hydrochloride Cl.O=C(O)[C@@H](N)CS Tox21_200699 -NCGC00258199-01 196702728 tox21-ror-cho-viability-p1 set1 4 0.219107051 -6.9246824839 2 -4.9246824839 4.9549173134 0.3495406328 0.3206260564 4.72669402 0.32239266 -3.38586776 3.07353694 0.07155305 2.81455347 4.84937716 -8.99469453 4.29320476 -14.10390207 -8.69448955 1.52722214 -4.98964196 -4.96123173 -4.91984224 1.19E-9 2.661E-9 5.949E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003718 0.000008314 0.00001859 0.00004157 0.000092959999999 141-97-9 8868 144207843 A A Ethyl acetoacetate CC(=O)CC(=O)OCC Tox21_200645 -NCGC00255203-01 196728904 tox21-ror-cho-viability-p1 set3 4 -0.18632242 -4.05836325 -0.56268636 -0.9654518 -1.54127767 0.65219372 3.76876635 -5.68632789 -4.94544163 -3.86695601 -2.67146656 -5.34516737 -1.0150797 3.69589158 0.45776311 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3052-50-4 5354456 144211807 A Fc 2-Butenedioic acid (2Z)-, monomethyl ester O=C(O)/C=C\C(=O)OC Tox21_301490 -NCGC00255422-01 196728484 tox21-ror-cho-viability-p1 set3 4 -1.84953941 5.42320804 2.03365005 -1.2872787 -0.57736394 -1.98169567 -3.85566145 -0.09426665 -1.28547883 2.84294354 -0.61740092 -5.62174023 -3.1433688 -2.61463066 5.92770666 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 597-09-1 11696 144212059 A F 2-Ethyl-2-nitro-1,3-propanediol O=[N+]([O-])C(CC)(CO)CO Tox21_301742 -NCGC00255150-01 196728485 tox21-ror-cho-viability-p1 set3 4 -2.21914123 3.29489215 -0.32027173 2.36023624 -0.00606394 -1.99322383 1.37570877 7.38352078 0.7942216 0.11422802 1.27360992 0.91761772 0.79167458 1.52995174 3.0789603 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2032-59-9 16247 144211740 A A Aminocarb O=C(Oc1cc(C)c(cc1)N(C)C)NC Tox21_301423 -NCGC00163843-03 196728901 tox21-ror-cho-viability-p1 set3 4 3.50980441 -2.45914681 10.38483502 -0.59489182 -4.82968874 -6.75497013 0.04076625 -2.51143827 -2.61947481 -7.52011713 -7.10542879 -3.67202879 8.40542959 -2.38231943 4.46827287 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00255268-01 196728910 tox21-ror-cho-viability-p1 set3 4 0.0015355304 21 -4 17 4.9549173134 0.4483097825 0.2428982691 0.14053174 20.6820125 15.21146692 16.85042123 26.57765455 17.76722826 15.93669545 10.69198125 22.81928707 14.83865328 23.63279861 12.25073382 10.53968943 14.44209382 3.75848164 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7209-38-3 81629 144211724 F Ac 1,4-bis(3-Aminopropyl)piperazine NCCCN1CCN(CCCN)CC1 Tox21_301407 -NCGC00258162-01 196729306 tox21-ror-cho-viability-p1 set3 4 -1.59923654 5.2599711 8.63216834 4.593066 1.62690278 1.85084182 -3.14586435 0.89414179 3.06278586 3.94374945 1.18049155 1.92349768 2.00735266 3.57329224 8.19459624 1.188E-9 2.6549999999E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.639E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001856 0.00004149 0.00009278 475575-45-2 2734241 144207806 A A 1-Butyl-2,3-dimethylimidazolium bromide [Br-].CCCCn1cc[n+](C)c1C Tox21_200608 -NCGC00257927-01 196729305 tox21-ror-cho-viability-p1 set3 4 -1.28093932 -2.56173477 -1.11220365 -1.87384803 -0.26189608 -0.16300501 -1.95260093 0.92100013 -0.2536566 -0.6836133 -2.74981193 -18.27670858 0.05663499 -3.83723624 -1.77846024 1.165E-9 2.605E-9 5.825E-9 1.302E-8 2.912E-8 6.5119999999E-8 1.456E-7 3.256E-7 7.281E-7 0.000001628 0.000003641 0.000008141 0.0000182 0.0000407 0.00009101 89-98-5 6996 144207571 A A 2-Chlorobenzaldehyde O=Cc1ccccc1Cl Tox21_200373 -NCGC00258195-01 196729307 tox21-ror-cho-viability-p1 set3 4 0.0015230464 -8.4287747159 4 -4.4287747159 4.9549173134 0.4643238983 0.2323920225 2.27701976 -4.4998307 -5.65422723 -3.94538049 -4.26739711 -5.54375734 -3.03393949 -3.02357276 -2.96999736 -6.55297043 -9.52397893 -1.31890839 -3.83897009 -5.26058467 1.2358011 1.172E-9 2.621E-9 5.8609999999E-9 1.31E-8 2.9299999999E-8 6.552E-8 1.465E-7 3.276E-7 7.326E-7 0.0000016379999999 0.0000036629999999 0.00000819 0.00001831 0.00004095 0.000091569999999 94-45-1 7192 144207839 A A 2-Amino-6-ethoxybenzothiazole CCOc1ccc2nc(N)sc2c1 Tox21_200641 -NCGC00260415-01 196724331 tox21-ror-cho-viability-p1 set3 4 77.8205173746 -18.3292729999 0 -18.3292729999 4.9549173134 0.4248325688 0.2486097423 0.25665013 7.56900399 -8.0252949 0.60122896 -6.91398585 4.68449865 0.45835012 1.84718725 0.12559366 1.46962326 0.99999246 0.03997514 -5.30159257 0.51154043 -13.6077275 1.191E-9 2.663E-9 5.954E-9 1.331E-8 2.977E-8 6.657E-8 1.489E-7 3.3289999999E-7 7.4429999999E-7 0.0000016639999999 0.000003721 0.0000083209999999 0.00001861 0.000041609999999 0.00009304 764-85-2 69819 144210067 F F Nonanoyl chloride ClC(=O)CCCCCCCC Tox21_202869 -NCGC00260305-01 196724335 tox21-ror-cho-viability-p1 set3 4 77.0370913869 11.22585702 0.77414298 12 4.9549173134 0.4051093851 0.2697639369 -4.35488085 1.36879465 -1.51129237 1.36099371 2.40521732 -1.64922772 -0.17029472 5.37779215 1.2820398 5.68567503 0.56452844 -0.45675854 0.07367752 -0.14604222 8.87903159 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.952E-8 6.6E-8 1.476E-7 3.3E-7 7.379E-7 0.0000016499999999 0.0000036889999999 0.0000082499999999 0.000018449999999 0.00004125 0.000092239999999 25321-09-9 11345 144209956 A B Diisopropylbenzene CC(C)c1ccccc1C(C)C Tox21_202758 -NCGC00257746-01 196715692 tox21-ror-cho-viability-p1 set2 4 4.0230407 4.08561664 3.45717816 2.56729734 4.30272371 3.20709146 3.33331385 5.74691261 5.17677003 3.63887928 1.16750929 4.59486807 1.42032037 1.85820162 1.69089858 1.2319999999E-9 2.754E-9 6.159E-9 1.3769999999E-8 3.079E-8 6.886E-8 1.54E-7 3.443E-7 7.698E-7 0.000001721 0.000003849 0.0000086069999999 0.00001925 0.000043039999999 0.00009623 507-20-0 10486 144207390 FNS t-Butylchloride CC(C)(C)Cl Tox21_200192 -NCGC00254114-01 196715263 tox21-ror-cho-viability-p1 set2 4 0.96305671 0.67532804 -0.92020457 0.63936197 1.07811227 0.05743724 0.27200167 1.3652788 -1.34156885 0.25984886 -0.36823523 -0.10610579 0.35959813 1.550953 -8.32542538 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51-28-5 1493 144210350 A A 2,4-Dinitrophenol O=[N+]([O-])c1cc(ccc1O)[N+]([O-])=O Tox21_300030 -NCGC00258013-01 196715269 tox21-ror-cho-viability-p1 set2 4 2.59767124 3.1669677 -0.43735809 -0.55629528 1.24991804 4.12051811 0.98150505 1.70618915 0.24319332 0.66279735 0.54395286 0.38439589 -0.3550503 -0.38087331 1.45083187 1.164E-9 2.6039999999E-9 5.822E-9 1.302E-8 2.911E-8 6.509E-8 1.456E-7 3.255E-7 7.2779999999E-7 0.0000016269999999 0.000003639 0.000008137 0.00001819 0.00004068 0.000090969999999 3965-55-7 23675796 144207657 A A Sodium 3,5-bis(methoxycarbonyl)benzenesulfonate [Na+].O=S([O-])(=O)c1cc(cc(c1)C(=O)OC)C(=O)OC Tox21_200459 -NCGC00091205-03 196715675 tox21-ror-cho-viability-p1 set2 4 -6.58056766 -9.41487979 -10.08783956 -7.53728038 -9.36018856 0.19284559 -4.61666027 -6.97666306 -7.1065957 -8.60837307 -10.81132145 -8.21165717 -10.63625151 -10.56779455 -7.95021522 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00254616-01 196714455 tox21-ror-cho-viability-p1 set2 4 -5.89248231 -12.49182948 -14.11129178 -9.5219909 -9.56553042 -8.58019823 -5.14960631 -11.6834392 -6.65770965 -11.59216701 -7.03585942 -4.36810997 -8.50269239 -5.10364029 -8.50766022 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 43222-48-6 39424 144211025 A A Difenzoquat metilsulfate Cn2[n+](C)c(cc2c1ccccc1)c3ccccc3.[O-]S(=O)(=O)OC Tox21_300708 -NCGC00254598-01 196714051 tox21-ror-cho-viability-p1 set2 4 -4.61162805 -4.93364765 -2.17033154 -0.61955222 -0.93852269 -5.75029689 -4.4351709 -2.05492512 -4.52530558 2.68592464 1.44598616 -2.70100089 1.36851318 -1.68731372 -0.51716582 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1124-33-0 14300 144211007 A 4-Nitropyridine-1-oxide [O-][n+]1ccc(cc1)[N+](=O)[O-] Tox21_300690 -NCGC00091380-04 196714059 tox21-ror-cho-viability-p1 set2 4 0.05802888 1.44117892 0.91363919 0.96827189 0.98312643 -1.43149812 3.36119587 1.47876504 1.65470752 -0.06695036 3.04103517 1.46046458 4.72800858 1.27789364 4.80767976 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00254089-01 196714060 tox21-ror-cho-viability-p1 set2 4 1.58575552 -0.12951527 0.8116678 0.36972236 0.58854882 2.85930212 -0.81924917 -0.9616475 1.9573866 3.62143577 1.92300293 1.86776573 6.06825546 2.01656862 0.28961842 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 864283-48-7 11472813 144210540 A A GSK232420A NC(=O)CN(CC(F)(F)F)c1cc(c(cc1)C#N)C(F)(F)F Tox21_300220 -NCGC00254690-01 196714470 tox21-ror-cho-viability-p1 set2 4 54.4826732819 -20.7635857679 7.5 -13.2635857679 3.9899729863 0.7566458803 0.0176440756 5.29032591 4.9747553 6.75409173 6.53607586 4.86060395 8.01194895 7.86521876 4.37149261 9.17406915 11.01864755 4.39721523 14.09652243 10.26872505 2.08413974 -11.05298814 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 113-48-4 8227 144211103 I I MGK-264 CCC(CCCC)CN3C(=O)C2C1CC(C=C1)C2C3=O Tox21_300786 -NCGC00253984-01 196714471 tox21-ror-cho-viability-p1 set2 -2.1 61.130564862 -103.7105418129 -2.02173533 -105.7322771429 3.1924983358 0.9932252609 1E-10 -0.32618752 -0.65840681 1.70054671 -2.98475815 -1.5891445 -0.98358247 -3.26302 -3.85517565 -0.0461946 -3.2489033 -5.24130697 -3.40629858 -3.51074265 -25.7625488 -83.51680659 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52-51-7 2450 144210446 A A Bronopol [O-][N+](=O)C(Br)(CO)CO Tox21_300126 -NCGC00254038-01 196714889 tox21-ror-cho-viability-p1 set2 4 0.5016194 -4.8452337 2.29781834 -0.03153764 0.9236724 -8.38689042 1.0404541 -8.17983704 -6.60719552 -5.70958444 -13.07014537 -1.10449896 -0.45808868 -5.88133269 0.5318888 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55-98-1 2478 144210637 D Busulfan O=S(C)(=O)OCCCCOS(C)(=O)=O Tox21_300318 -NCGC00258531-01 196715285 tox21-ror-cho-viability-p1 set2 4 70.8978329955 13.590386616 -0.590386616 13 4.9549173134 0.7547396464 0.0184701002 0.46229975 -1.77108699 -1.86697152 0.5860889 -3.82532218 -0.16277244 1.47447157 1.11001068 -1.55257922 -1.64209452 -1.09789838 -3.40583115 1.65348001 -0.34963777 10.59866273 1.213E-9 2.7119999999E-9 6.064E-9 1.3559999999E-8 3.0319999999E-8 6.78E-8 1.516E-7 3.39E-7 7.58E-7 0.000001695 0.0000037899999999 0.000008475 0.00001895 0.00004238 0.00009476 91-84-9 4992 144208176 A A Pyrilamine COc1ccc(cc1)CN(CCN(C)C)c2ccccn2 Tox21_200978 -NCGC00258625-01 196715701 tox21-ror-cho-viability-p1 set2 4 2.30461542 2.90198137 -0.13166913 1.86371474 0.84419472 4.60803236 -1.27034976 3.95846441 2.64451717 0.971913 -0.47324452 3.55329393 1.97027198 2.09590462 0.54392269 1.189E-9 2.66E-9 5.9469999999E-9 1.3299999999E-8 2.9739999999E-8 6.649E-8 1.487E-7 3.325E-7 7.4339999999E-7 0.000001662 0.0000037169999999 0.000008312 0.00001859 0.00004156 0.00009293 501-53-1 10387 144208270 D Benzyl chloroformate ClC(=O)OCc1ccccc1 Tox21_201072 -NCGC00357022-01 196711397 tox21-ror-cho-viability-p1 set2 4 3.0637858693 8.0737929479 -0.0737929479 8 0.9099999999 0.7753628007 0.0176313838 0.30398875 -0.25902738 3.89135333 -0.32324777 -0.7925744 -0.23022847 -1.72816079 -0.17184697 3.46661443 3.11671681 4.52547641 5.49220605 5.60918927 8.48600952 -5.16748795 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 487-68-3 10254 251919905 A 2,4,6-Trimethylbenzaldehyde Cc1cc(C)cc(C)c1C=O Tox21_303703 -NCGC00090986-03 196713028 tox21-ror-cho-viability-p1 set2 4 69.008347349 -27.440156872 1.5 -25.940156872 4.0449729863 0.9428270002 0.00001762 3.03007163 0.28479502 0.08988172 1.92903878 0.13235226 0.22809128 2.2991838 3.51579152 -1.19782997 1.74409071 1.21271117 3.26986916 1.285236 -1.51149415 -19.53346406 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00260317-01 196711806 tox21-ror-cho-viability-p1 set2 2.4 27.3893479715 28.630937796 3.369062204 32 0.5 0.7579361305 0.0172260146 0.41294447 5.67409674 0.42722059 2.80402531 8.25600675 -0.10911483 10.66531671 12.62586458 8.8305844 6.24850603 9.8884894 11.18491747 13.84892865 18.93894826 25.81514078 1.183E-9 2.644E-9 5.913E-9 1.322E-8 2.9559999999E-8 6.611E-8 1.4779999999E-7 3.305E-7 7.3909999999E-7 0.0000016529999999 0.0000036949999999 0.000008263 0.00001848 0.00004132 0.00009239 2825-82-3 12561739 144209968 Fns Octahydro-exo-4,7-methano-1H-indene C2C[C@H]3[C@@H]1CC[C@H](C1)[C@H]3C2 Tox21_202770 -NCGC00260348-01 196711406 tox21-ror-cho-viability-p1 set2 4 6.8171322038 22 -1 21 0.2 0.8235257675 0.5879188577 1.12526676 0.88419775 2.45565142 4.78440003 3.65975417 -59.66319768 8.55535881 8.24652448 7.56921959 7.51389361 6.0351102 11.81912343 9.54764673 11.61634412 16.12501125 1.1739999999E-9 2.625E-9 5.87E-9 1.3129999999E-8 2.9349999999E-8 6.5629999999E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003669 0.000008203 0.00001834 0.00004102 0.000091709999999 13706-86-0 26204 144210000 F 5-Methyl-2,3-hexanedione CC(=O)C(=O)CC(C)C Tox21_202802 -NCGC00260376-01 196711803 tox21-ror-cho-viability-p1 set2 -3 27.6952437761 -68.0235234663 -5.176469942 -73.1999934083 4.9549173134 0.8903737376 0.0008847096 -4.25548219 -8.08710187 -18.73126234 -12.85765135 -7.98030888 0 -4.41669891 -5.19799656 0 0 -6.76861 0 -5.12760479 -71.76469942 -16.96650534 1.194E-9 2.6689999999E-9 5.969E-9 1.335E-8 2.985E-8 6.6739999999E-8 1.4919999999E-7 3.337E-7 7.4609999999E-7 0.000001668 0.0000037309999999 0.000008342 0.00001865 0.00004171 0.000093269999999 3934-20-1 77531 144210028 Z F Pyrimidine,2,4-dichloro- Clc1ccnc(Cl)n1 Tox21_202830 -NCGC00259257-01 196711811 tox21-ror-cho-viability-p1 set2 -3 27.444923243 -70.7413738997 -5.631619233 -76.3729931327 4.9549173134 0.84064244 0.0044655195 -2.53182877 -9.30475305 -6.546135 -9.30855931 -10.24580803 -16.47452278 -14.07245114 0.40093586 -4.52294553 -14.47785256 -0.26991645 6.76099115 0 -79.55520118 -53.48379658 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.626E-8 1.482E-7 3.3129999999E-7 7.408E-7 0.000001656 0.000003704 0.000008282 0.00001852 0.000041409999999 0.000092599999999 156-10-5 9074 144208906 C A 4-Nitrosodiphenylamine O=Nc2ccc(Nc1ccccc1)cc2 Tox21_201708 -NCGC00260258-01 196711813 tox21-ror-cho-viability-p1 set2 4 3.379853 0.96348432 4.53701965 4.64554703 3.14356238 6.18774033 8.13946026 9.42808022 10.82317669 8.43136134 9.13190751 8.42940211 7.412648 8.95008575 6.78997892 1.187E-9 2.6549999999E-9 5.937E-9 1.3279999999E-8 2.968E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.421E-7 0.000001659 0.0000037109999999 0.000008297 0.00001855 0.00004149 0.00009276 56511-19-4 12059922 144209908 A A 1-Methyl-1-propylpyrrolidinium iodide [I-].C[N+]1(CCC)CCCC1 Tox21_202710 -NCGC00015060-14 196711816 tox21-ror-cho-viability-p1 set2 -1.4 2.7139492129 -30.549228812 -4 -34.549228812 1.0999999999 0.6122466855 0.6803082406 -6.47851713 -48.14377008 -4.31070815 -7.87307815 -6.87921863 0 -4.52773661 -12.41801701 -11.51886856 0 -33.79102401 -8.68700341 -28.40885891 -6.80749241 -9.7229211 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00260663-01 196711822 tox21-ror-cho-viability-p1 set2 4 37.5780357627 21.9645434799 -1.9645434799 20 4.9549173134 0.6051066623 0.0934263441 1.10724246 -0.8115307 0.35314167 -1.5575977 0.51361578 -0.56309038 -0.71408374 -6.32905408 1.07236215 2.14194026 1.2811964 -5.66670382 -9.9704529 -7.03674774 17.11499499 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49559 144210316 M M NTP Mix28 AR2 3-EQP Tox21_203118 -NCGC00357029-01 196712220 tox21-ror-cho-viability-p1 set2 -2.2 61.130564862 -57.6821385586 -2.059200479 -59.7413390376 1.4641 0.8508836231 0.0021905865 -2.16569025 -0.56243766 -2.15347154 -3.37731334 -0.64842877 -2.17218295 -1.55876745 -0.07832203 0.08698235 -2.2527501 0.33341461 -16.21242818 -14.43684176 -12.97098013 -45.25859018 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120983-64-4 119361 251919786 A Pyrasulfotole metabolite (SXX 0665) OC(Cn1cncn1)(Cc2ccccc2Cl)C3(Cl)CC3 Tox21_303715 -NCGC00260649-01 196712227 tox21-ror-cho-viability-p1 set2 -1.4 5.9557173066 -40.9515807819 2.766288446 -38.1852923359 4.9549173134 0.9515247799 0.400677761 -0.01114503 0.51687153 -0.28731793 0.36920923 3.26855159 1.82223477 3.68416439 0.58358902 3.48273741 5.7698208 4.49559365 3.94827855 -38.90441028 5.52151561 -34.86030346 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49545 144210302 M M NTP Mix90 ER AR1 18-EQP Tox21_203104 -NCGC00260223-01 196712230 tox21-ror-cho-viability-p1 set2 4 77.4286392264 -17.798672164 1.5 -16.298672164 4.9549173134 0.7013011906 0.037882499 0.72178446 -0.25844051 2.09791691 1.91230366 -0.97147023 -0.80010781 2.91437072 3.75616893 -2.57890313 2.9971414 -0.04015502 2.99465249 2.58395663 5.92417572 -12.74889347 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.629E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008287 0.00001853 0.000041429999999 0.00009265 286453-46-1 60196389 144209873 A A 1-Butyl-2-methylpyridinium tetrafluoroborate Cc1cccc[n+]1CCCC.F[B-](F)(F)F Tox21_202675 -NCGC00090698-04 196725971 tox21-ror-cho-viability-p1 set3 4 -1.36137658 0 -9.10196204 -2.65507616 3.17363749 -2.01073627 3.7222762 4.1948092 -3.03881894 1.82266584 1.35187534 5.55562107 -16.06733627 1.82433155 -2.35022637 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00015278-15 196725980 tox21-ror-cho-viability-p1 set3 4 0.084126743 10.5392417319 -0.5392417319 10 4.9549173134 0.4920590147 0.2022282955 -1.66188426 0.36669638 -0.70416794 2.88664168 -0.62034772 -1.69936811 2.11276831 15.7352171 16.78132669 15.65859437 15.16662164 6.49377253 1.47987061 -0.77941724 -0.44506797 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 78-44-4 2576 170465436 A Carisoprodol O=C(NC(C)C)OCC(C)(COC(=O)N)CCC Tox21_110122_1 -NCGC00095109-08 196725992 tox21-ror-cho-viability-p1 set3 4 1.4920685 1.43700754 -0.81016321 14.44203472 -1.25563359 6.60563162 2.7542714 -2.74818022 1.2095259 -7.91034375 -0.15111651 7.92607791 -2.43129254 4.64523285 6.85442038 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 93413-69-5 5656 170465123 A Venlafaxine OC1(CCCCC1)C(CN(C)C)c2ccc(OC)cc2 Tox21_111425_1 -NCGC00256819-01 196726385 tox21-ror-cho-viability-p1 set3 4 0.66397224 3.36290662 -0.43109281 -2.71428407 1.47049776 -0.21717096 2.32576569 -1.42909447 0.16394752 0.91288804 -0.07309766 3.94904011 -2.12350525 4.09103428 -2.03259721 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-67-8 31223 144212874 A A Isobutyl 3-phenylacrylate CC(C)COC(=O)C=Cc1ccccc1 Tox21_302557 -NCGC00257377-01 196726814 tox21-ror-cho-viability-p1 set3 4 43.2331187906 -16.444694532 1 -15.444694532 2.3331733767 0.8743175958 0.0010012758 -0.95884143 0.45966055 2.95542275 1.23423926 0.18905791 -0.61759267 1.75098448 -0.31704323 3.40113911 -0.62281414 0.69626112 0.84647539 1.53921916 -8.41054088 -12.45391211 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 98730-04-2 62306 144213675 A A Benoxacor ClC(Cl)C(=O)N1c2ccccc2OCC1C Tox21_303359 -NCGC00257499-01 196726823 tox21-ror-cho-viability-p1 set3 4 0.0017228934 -18.6302953 17 -1.6302953 4.0949729863 0.7914049545 0.0095756043 14.00001414 0.65695528 1.46792419 0.96988167 -2.19632758 1.29809941 1.58131137 -4.23462824 -2.81005236 -1.59718181 -0.88322711 -4.69191275 -2.19423227 -2.75661788 -3.82969822 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-16-0 7979 144213679 A Ac Triethylene glycol dimethacrylate O=C(OCCOCCOCCOC(=O)C(=C)C)C(=C)C Tox21_303364 -NCGC00257476-01 196726824 tox21-ror-cho-viability-p1 set3 4 3.8292303357 4.569823264 0.430176736 5 3.0654483358 0.541174322 0.1459971687 1.02571891 0.01530958 0.73673673 1.84269711 -0.36925328 0.8388088 -1.72485272 1.30642131 -0.34218041 1.37850046 2.0091885 9.20287581 1.33526296 5.6946507 3.50760275 1.291E-9 2.886E-9 6.453E-9 1.443E-8 3.227E-8 7.215E-8 1.613E-7 3.607E-7 8.0659999999E-7 0.000001804 0.000004033 0.000009019 0.00002017 0.00004509 0.0001008 5743-28-2 54682536 144213842 F Calcium L-ascorbate dihydrate [Ca+2].O.O.OC=1C(=O)O[C@H]([C@@H](O)CO)C=1[O-].OC[C@H](O)[C@H]1OC(=O)C(O)=C1[O-] Tox21_303536 -NCGC00256804-01 196727656 tox21-ror-cho-viability-p1 set3 4 -1.21562079 2.87554743 2.33044564 2.33426344 2.48832474 2.2820513 -1.02270176 2.52944977 4.73705076 -0.13412111 -2.24299285 -1.82177821 4.05613225 2.11249563 -1.84084618 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 41519-23-7 5352539 144212947 Ac D (3Z)-Hex-3-en-1-yl 2-methylpropanoate O=C(OCC/C=C\CC)C(C)C Tox21_302630 -NCGC00257374-01 196727657 tox21-ror-cho-viability-p1 set3 4 54.4826732819 -9.3623830799 0.5 -8.8623830799 4.4494702849 0.4998018047 0.181264239 -1.02272395 -5.98407798 -0.2637309 0.80566152 1.0992745 1.85802489 2.36153065 -0.10620165 0.11717388 1.58066588 4.25371088 0.5855289 0.98886286 -1.65214417 -7.8019859 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-18-3 66597 144213882 Ac Ac 4-tert-Butylphenyl salicylate Oc2ccccc2C(=O)Oc1ccc(cc1)C(C)(C)C Tox21_303577 -NCGC00256916-01 196727661 tox21-ror-cho-viability-p1 set3 4 -2.63527573 15.81893142 6.26367074 3.92306107 2.55678116 2.08846906 -1.04830349 3.12902373 2.87547943 0.09403117 -0.34126321 -1.29726541 1.71402262 0.97774294 -2.24441367 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2219-82-1 16678 144212879 A A 2-tert-Butyl-6-methylphenol CC(C)(C)c1cccc(C)c1O Tox21_302562 -NCGC00258362-01 196729729 tox21-ror-cho-viability-p1 set3 4 1.21582474 1.5814384 0.47126976 1.71085494 1.65172746 3.46750035 1.86197342 0.84344159 -0.50059103 0.93431063 -0.77437177 3.66744311 -3.73510979 -4.28270959 -0.64985568 1.166E-9 2.606E-9 5.8279999999E-9 1.303E-8 2.9139999999E-8 6.516E-8 1.457E-7 3.2579999999E-7 7.285E-7 0.000001629 0.0000036419999999 0.0000081449999999 0.00001821 0.000040719999999 0.00009106 100-42-5 7501 144208006 AC Fc Styrene C=Cc1ccccc1 Tox21_200808 -NCGC00258702-01 196729314 tox21-ror-cho-viability-p1 set3 2.4 68.6593799697 19.3498523001 1.1501476999 20.5 4.9549173134 0.8852732 0.0006455109 3.67991832 0.69432502 0.76712509 0.38782112 1.29719306 2.41207205 4.44228922 -0.70821025 2.40098247 1.4580162 0.71872167 0.01883842 2.25242562 1.74042258 16.87004397 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.00009229 6151-25-3 5284452 144208348 A A Quercetin dihydrate O.O.Oc1ccc(cc1O)C=3Oc2cc(O)cc(O)c2C(=O)C=3O Tox21_201150 -NCGC00244580-01 196716925 tox21-ror-cho-viability-p1 set2 4 34.3762428541 -22.907413704 3.5 -19.407413704 1.2221 0.7521863811 0.0188834391 1.02574415 -0.09931621 0.79525735 3.21660918 3.92065248 7.28280509 8.30088734 7.68524949 -0.19006274 3.14225619 0.45328035 0.66587427 -6.61473099 -3.96383128 -17.83951142 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00258523-01 196716106 tox21-ror-cho-viability-p1 set2 4 76.5676715067 -22.330091636 -1.5 -23.830091636 4.9549173134 0.6860548132 0.0448550043 -0.99416785 -1.87636101 0.01928674 2.11173916 1.36832501 -6.56215071 -4.85050618 -2.51835483 -0.32064519 1.44491613 -5.37036571 -5.63576912 -0.55793021 0.50464753 -18.19174303 1.175E-9 2.628E-9 5.877E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.346E-7 0.000001643 0.000003673 0.0000082129999999 0.000018359999999 0.00004107 0.000091819999999 3322-93-8 18728 144208168 A A 1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane BrC1CCC(CC1Br)C(Br)CBr Tox21_200970 -NCGC00258320-01 196716520 tox21-ror-cho-viability-p1 set2 4 -1.05694126 -2.08030358 -5.61421491 1.97926995 0.44929225 1.01497472 -0.89134173 1.42962339 -0.79552794 0.10009335 -1.27258108 3.26472746 1.97407418 1.46561241 0.21120887 1.2069999999E-9 2.699E-9 6.0359999999E-9 1.3499999999E-8 3.0179999999E-8 6.7479999999E-8 1.509E-7 3.3739999999E-7 7.5449999999E-7 0.000001687 0.0000037719999999 0.000008435 0.00001886 0.00004218 0.00009431 1477-55-0 15133 144207964 D 1,3-Benzenedimethanamine NCc1cccc(CN)c1 Tox21_200766 -NCGC00253643-01 196716923 tox21-ror-cho-viability-p1 set2 4 3.42992506 3.28728095 2.07144767 4.00757347 7.30656651 7.32138304 7.92178908 5.04511199 3.05532954 1.54719406 2.36453312 4.29155984 1.59678599 1.97311176 1.66496221 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1620-98-0 73219 170466700 A A 3,5-Di-tert-butyl-4-hydroxybenzaldehyde CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C=O Tox21_113770 -NCGC00164621-02 196716931 tox21-ror-cho-viability-p1 set2 4 2.85019662 1.06659021 0.99928237 3.23299205 5.04045718 4.34234478 8.35797577 5.26123396 0.12941517 0.27143275 0.72323901 0.34645412 -0.89536004 2.03900319 -0.55921235 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 125-60-0 71489 170466136 F Fenpiverinium bromide [Br-].NC(=O)C(CC[N+]1(C)CCCCC1)(c2ccccc2)c3ccccc3 Tox21_112240_1 -NCGC00164495-02 196716932 tox21-ror-cho-viability-p1 set2 4 1.64811767 -0.38108266 -0.20167293 1.89357352 1.43478289 2.85944906 -6.20422633 -0.28581689 0.80771457 0.41526887 1.71603075 0.85970422 -0.03386625 0.53740132 -0.51343989 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 555-90-8 6474573 170466536 A Nicothiazone NC(=S)N\N=C\c1cccnc1 Tox21_112133_1 -NCGC00168254-02 196716941 tox21-ror-cho-viability-p1 set2 4 0.2371013766 4.529936828 -3.029936828 1.5 4.9549173134 0.3779979 0.3110329167 -0.07596913 -0.3400761 1.06420652 -10.85828069 -2.61481758 -6.78666023 -2.18788642 -3.94903959 3.43932043 -0.3888118 4.49104238 -0.01791605 1.74354879 1.0210823 -3.49047589 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59467-96-8 43032 170465015 A Midazolam hydrochloride Cl.Fc4ccccc4C2=NCc1cnc(C)n1c3ccc(Cl)cc23 Tox21_112613_1 -NCGC00164449-04 196716942 tox21-ror-cho-viability-p1 set2 4 -2.14082055 1.15683107 -9.5697117 -5.65325689 -1.56131583 -1.90045415 -1.29785421 -5.01739276 -3.8222379 -3.92836451 0.35027313 -1.82499173 -0.74404962 -0.85404784 1.22247719 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00163150-07 196716947 tox21-ror-cho-viability-p1 set2 4 -0.40248878 3.43483206 1.20600456 5.23135844 1.13478185 3.19368764 -0.5658666 -1.18238082 1.22678769 -0.17352544 -0.85559264 0.5802204 -1.16337974 -0.12791336 3.63637698 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 37148-27-9 2783 170465955 A Clenbuterol Clc1cc(cc(Cl)c1N)C(O)CNC(C)(C)C Tox21_112016_1 -NCGC00016258-06 196717344 tox21-ror-cho-viability-p1 set2 -2.1 18.8336317891 -99.1266010467 2.7014821539 -96.4251188928 2.4063783767 0.9936543473 1E-10 1.09158741 -0.44238365 3.08230493 6.11570198 4.63185899 3.77949321 5.98248855 3.54859541 0.4198896 1.04868607 1.5813714 -1.649785 -9.70045018 -51.67417586 -86.86947648 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-27-5 4055 170464997 F Menadione O=C2C=C(C)C(=O)c1ccccc12 Tox21_110334_1 -NCGC00258085-01 196716130 tox21-ror-cho-viability-p1 set2 4 1.64852933 1.23849416 1.14627094 0.17941373 -1.12131305 2.07913781 1.9540977 2.38935068 1.13474333 0.48171291 0.2092076 2.8928007 -0.24614829 -4.53252027 -2.04082575 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.486E-7 3.3239999999E-7 7.4319999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.0000929 505-48-6 10457 144207729 A A Octanedioic acid O=C(O)CCCCCCC(=O)O Tox21_200531 -NCGC00257706-01 196715722 tox21-ror-cho-viability-p1 set2 4 -1.62321802 -0.04636669 -1.8079377 0.87465289 -0.07690105 1.60155902 -2.46709308 1.73065085 -0.26250741 2.32974863 2.46221223 3.23535852 0.05421622 1.46260472 -1.38955649 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 105-36-2 7748 144207350 FNS Ethyl bromoacetate BrCC(=O)OCC Tox21_200152 -NCGC00258696-01 196716123 tox21-ror-cho-viability-p1 set2 4 -0.92137919 1.07858204 0.80740718 -1.03484955 -1.5833359 1.19277189 -1.29513992 0.94015235 0.97289257 -0.43948479 -0.29763879 -1.76063075 0.24353888 -4.95037539 0.47116222 1.1469999999E-9 2.5649999999E-9 5.7359999999E-9 1.2829999999E-8 2.868E-8 6.413E-8 1.434E-7 3.206E-7 7.169E-7 0.000001603 0.000003585 0.0000080159999999 0.00001792 0.000040079999999 0.00008962 3048-64-4 18273 144208342 FNS 5-Vinyl-2-norbornene C=CC2CC1C=CC2C1 Tox21_201144 -NCGC00015851-10 196713449 tox21-ror-cho-viability-p1 set2 4 -0.60473609 -1.60162989 -1.3177905 3.00139844 3.82229466 3.38183041 3.10461559 -1.81517691 4.26504923 3.54715711 2.99507418 2.00651923 1.70116776 1.37904097 2.36353889 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1225-55-4 6603149 170465077 A Protriptyline hydrochloride Cl.CNCCCC2c3ccccc3C=Cc1ccccc12 Tox21_110244_1 -NCGC00166249-03 196713034 tox21-ror-cho-viability-p1 set2 -2.4 13.3331902297 -35.989185024 0.5 -35.489185024 0.5999999999 0.9591547903 0.0000027653 1.27298907 0.39075194 -0.21732527 0.11500294 1.27775696 -2.4254694 -0.04172295 0.21040929 -5.94086661 -6.98583209 -8.80905025 -11.96610155 -12.8868873 -18.14482636 -26.24098752 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15905-32-5 3259 170465719 A Erythrosin B Ic4c5Oc1c(I)c(O)c(I)cc1C3(OC(=O)c2ccccc23)c5cc(I)c4O Tox21_113464_1 -NCGC00016101-10 196713038 tox21-ror-cho-viability-p1 set2 4 0.8412674301 -6.83770966 3.5 -3.33770966 4.9549173134 0.5459400936 0.1396643697 7.89072442 0.95575477 0.38389573 8.45174458 0.64705522 0.68647719 1.35319971 1.07055043 8.72090186 0.16173349 -1.5046286 -4.86475805 -2.56105842 -4.00118945 -3.96497607 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1218-35-5 5282386 170465470 A Xylometazoline hydrochloride Cl.CC(C)(C)c2cc(C)c(CC1=NCCN1)c(C)c2 Tox21_110305_1 -NCGC00183017-01 196713440 tox21-ror-cho-viability-p1 set2 4 0.0298492948 5.9028963079 -4.9028963079 1 4.9549173134 0.5103145483 0.1704715214 0.4481565 -5.5974914 -5.87980113 -7.00241359 -6.52088985 -0.88047092 3.29483722 1.33093443 3.19482086 0.52760149 2.75356399 2.40643083 0.89674464 -6.56504411 2.60240429 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 546-71-4 66067 144206877 A A Ethyl 4-nitrophenyl ethylphosphonate [O-][N+](=O)c1ccc(OP(=O)(OCC)CC)cc1 Tox21_113326 -NCGC00254644-01 196713859 tox21-ror-cho-viability-p1 set2 4 0.0153396894 -8.57411606 1.5 -7.07411606 4.9549173134 0.6648337547 0.0561297698 -0.415881 -0.83352914 5.02220636 -1.20982786 -7.41619599 -6.16426764 -5.08278482 -4.92334708 -2.50367423 -9.99047816 -10.47843005 -7.05871162 -7.54514673 -9.50686395 -4.6461755 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 84087-01-4 91739 144211055 A A Quinclorac O=C(O)c1c(Cl)ccc2cc(Cl)cnc12 Tox21_300738 -NCGC00254866-01 196713868 tox21-ror-cho-viability-p1 set2 4 -3.63394953 -6.84470193 -1.20331798 -3.06291135 -7.09142282 -3.35660955 -2.06467109 -3.19968736 -5.85409322 -1.30525982 -1.36522174 -5.07939236 -1.68300966 -7.68148024 -5.71275894 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2832-19-1 62466 144211281 D 2-Chloro-N-(hydroxymethyl)acetamide ClCC(=O)NCO Tox21_300964 -NCGC00254022-01 196713876 tox21-ror-cho-viability-p1 set2 4 0.0611305649 -4.5200677759 0 -4.5200677759 4.9549173134 0.3640150355 0.3254230159 0.00246912 -2.19876212 2.59015396 -1.84260229 0.09549508 -2.6207281 -5.56065258 -10.85005648 0.13596527 -1.24807076 -4.51924137 -6.15768266 -5.10148588 -2.4838629 1.93325701 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-07-3 34 144210363 Ac 2-Chloroethanol ClCCO Tox21_300043 -NCGC00159417-06 196714275 tox21-ror-cho-viability-p1 set2 -2.1 55.7594848687 -89.6437525415 0.7538301459 -88.8899223956 2.5334283767 0.9977879449 0 -0.32445602 0.85081416 0.07691691 1.03075756 0.91231889 2.09054521 1.0346771 0.02411148 -0.54182455 1.99826758 1.05268755 0.75957545 -6.33052163 -28.12512496 -70.37115333 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00254353-01 196714286 tox21-ror-cho-viability-p1 set2 4 2.99789532 -0.64231149 2.26652947 -6.30880017 -2.76375933 -6.29841569 -5.81990759 -5.45421637 -2.65106742 -3.54218065 -0.72005587 3.96911454 -0.08531843 -1.43856043 0.59682969 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-21-7 8098 144210914 A A Triethylene glycol diacetate O=C(C)OCCOCCOCCOC(C)=O Tox21_300597 -NCGC00167457-02 196713063 tox21-ror-cho-viability-p1 set2 4 -5.36693131 -5.812838 -4.83332666 -7.60081331 -3.39094881 -5.11136498 -4.87475858 -3.06802835 -3.16717281 -2.64759627 -0.36561065 -2.13022532 -3.31347662 -7.29029352 -13.30873227 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16320-04-0 27812 170466364 A Gestrinone O=C3C=C4CC[C@@H]2C(C=C[C@@]1(CC)[C@H]2CC[C@@]1(O)C#C)=C4CC3 Tox21_112461_1 -NCGC00253767-01 196712633 tox21-ror-cho-viability-p1 set2 4 1.75723286 1.58219282 -0.61222 -0.05483268 2.17200543 0.52824645 0.74718294 -0.07454929 0.12040394 -0.09215755 1.31806299 0.84099589 2.58551017 1.96273874 3.08455628 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 163252-36-6 72327 170466517 A A Clevudine CC1=CN(C(=O)NC1=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F Tox21_113880 -NCGC00094969-05 196712655 tox21-ror-cho-viability-p1 set2 4 37.5780357627 -24.091405232 1.5 -22.591405232 4.9549173134 0.8080647487 0.0067334617 -0.70697746 4.03467006 1.63097367 -1.54013966 4.37540976 -1.38474397 -0.25683203 1.14698211 3.92332869 -2.12068527 3.30361501 4.49230481 3.66606769 0.65578456 -17.15950436 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 117-37-3 2197 170465379 D Anisindione COc1ccc(cc1)C3C(=O)c2ccccc2C3=O Tox21_111370_1 -NCGC00260154-01 196704008 tox21-ror-cho-viability-p1 set1 -2.4 34.306336922 -30.612052116 -2.56274388 -33.174795996 1.21 0.9437687103 0.000016011 -3.04942001 -5.85483844 -3.91251998 -0.8856199 -1.58012611 -3.83674756 -1.05357083 -1.18939173 -1.34517223 -1.78037161 -8.46983809 -7.11078271 -11.3959306 -19.46193217 -27.64566333 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.365E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.00004117 0.00009206 24140-30-5 5702746 144209804 F C (+)-2-Methylbutyl-4-methoxybenzyladine-4'-aminocyannate COc2ccc(/C=N/c1ccc(/C=C/C(=O)OC[C@@H](C)CC)cc1)cc2 Tox21_202606 -NCGC00091163-03 196703585 tox21-ror-cho-viability-p1 set1 4 -4.48973148 5.64635041 -3.36312051 -4.40916715 0.44078907 -7.15185489 1.2060091 -1.1469623 -5.5747639 0.37596316 -3.28219923 -5.75087991 -4.60444314 1.11902002 0.327897 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00260020-01 196703597 tox21-ror-cho-viability-p1 set1 4 0.086700588 -9.8177573879 5.5 -4.3177573879 0.5 0.6490992947 0.0653574428 4.19025614 6.89374042 1.39017601 -0.8341272 4.53423479 2.73956552 -0.16089485 -4.0672096 0.08672845 -1.61315872 -5.43118332 -0.78381276 -5.68146449 -5.47398348 -1.85214596 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.481E-7 3.311E-7 7.4029999999E-7 0.000001655 0.000003701 0.0000082769999999 0.00001851 0.00004138 0.00009253 89-86-1 1491 144209669 A A 2,4-Dihydroxybenzoic acid OC(=O)c1ccc(O)cc1O Tox21_202471 -NCGC00357173-01 196703599 tox21-ror-cho-viability-p1 set1 4 7.39067194 6.27219843 5.51033966 6.4728286 2.29501074 1.74030051 4.89447501 3.75693 -0.41263239 3.09698443 6.12518421 3.52640359 0.66582434 0.70618547 7.00472211 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1569-60-4 20745 251919874 A 6-Methylhept-5-en-2-ol C/C(C)=C\CCC(C)O Tox21_303934 -NCGC00182551-01 196717760 tox21-ror-cho-viability-p1 set2 4 -0.86170282 0.70968974 -6.71656297 -7.98024621 1.25140257 -0.48559007 -0.05233455 -7.92259586 -0.17682784 1.19191533 1.56791267 1.89746266 0.94445455 1.35054935 1.22489575 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 115-93-5 8293 144206631 B B Cythioate O=S(N)(=O)c1ccc(OP(=S)(OC)OC)cc1 Tox21_113080 -NCGC00013895-08 196717351 tox21-ror-cho-viability-p1 set2 4 -2.32933929 0.20051779 -2.6880509 -0.73604091 -2.56720479 -4.24036578 -4.55126177 -5.01494895 -0.05412991 -0.51461567 -0.26435767 1.32132771 -4.16828817 2.78114704 -1.057565 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3562-84-3 2333 170465792 A Benzbromarone Brc1cc(cc(Br)c1O)C(=O)c2c3ccccc3oc2CC Tox21_110041_1 -NCGC00262914-01 196717755 tox21-ror-cho-viability-p1 set2 4 0.61101543 2.97737051 -1.49080321 1.85746621 0.45511251 -1.25767155 -0.11523729 1.25044436 -1.65271667 4.55235518 3.4544809 0.73716585 -0.50536108 -0.06107995 -0.17281336 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 501-68-8 10391 170466371 A A Beclamide ClCCC(=O)NCc1ccccc1 Tox21_113912 -NCGC00188864-02 196717757 tox21-ror-cho-viability-p1 set2 4 2.0906397 1.08998471 -1.18438336 -7.56359215 -7.47294362 0.68144297 0.04463472 1.39764851 -0.79536869 2.19677887 -1.25743151 0.56388131 0.43708985 -1.2108928 -8.84173052 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 133454-47-4 71360 170465198 A Iloperidone CC(=O)c4ccc(OCCCN1CCC(CC1)c3noc2cc(F)ccc23)c(OC)c4 Tox21_113610_1 -NCGC00091501-06 196717764 tox21-ror-cho-viability-p1 set2 4 -0.90901106 -1.29055647 -0.07506485 5.25982591 1.13732104 1.55651253 4.45329576 2.90320392 3.46683352 0.4059574 2.41101487 3.23821666 0.73996652 1.68171888 1.34457829 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 108-46-3 5054 170465462 Ac Resorcinol Oc1cccc(O)c1 Tox21_111140_1 -NCGC00163818-04 196717767 tox21-ror-cho-viability-p1 set2 4 61.130564862 -15.97703874 -3.901520648 -19.878559388 0.6 0.4816748829 0.1979086025 -5.0160199 -4.71060066 -7.04164991 -8.48835913 -4.82168518 -5.93438709 -6.65391917 -4.21133297 -1.58460054 -5.95305218 -5.65798366 -8.99611428 -9.07695409 -8.09310626 -14.89879949 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00253642-01 196717777 tox21-ror-cho-viability-p1 set2 1.1 3.7578035763 96.6909379162 -1.927624441 94.7633134752 3.0654483358 0.9837023738 1.45E-8 2.01289749 0.83887927 2.06275057 -10.72618448 -10.21806987 -0.81046879 -0.63457336 -0.79322589 2.55197937 1.7243151 7.54455929 47.36377334 98.71178487 93.29807639 90.76291196 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112984-60-8 124225 170466146 A C Ulifloxacin O=C(O)C=3C(=O)c1cc(F)c(cc1N2C=3SC2C)N4CCNCC4 Tox21_113769 -NCGC00023509-13 196717780 tox21-ror-cho-viability-p1 set2 -1.2 4.7307944147 -36.2162396907 -2.5 -38.7162396907 1.34431 0.9729568597 2.693E-7 -5.56162143 -5.73467465 0.56616251 -4.21091438 -3.22376756 0.43729296 1.00773047 -2.98948215 -2.94636333 -7.9786499 -9.51071063 -19.00937994 -28.34578844 -34.26918997 -36.77429601 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 75330-75-5 53232 170464913 A Lovastatin C[C@@H](CC)C(=O)O[C@H]2C[C@@H](C)C=C3C=C[C@H](C)[C@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@@H]23 Tox21_110888_1 -NCGC00257021-01 196718410 tox21-ror-cho-viability-p1 set2 4 -13.08836487 -8.96853927 -8.94729058 -9.26317544 -8.09898278 -19.1630766 -8.00172816 -5.46120363 -6.11316607 -7.32886603 -4.48466633 -13.85753983 -12.58724967 -11.1722335 -9.98996636 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-14-9 7789 144213352 A A 12-Hydroxyoctadecanoic acid O=C(O)CCCCCCCCCCC(O)CCCCCC Tox21_303035 -NCGC00253698-01 196718012 tox21-ror-cho-viability-p1 set2 4 2.89971948 3.69711649 4.87528087 5.35476554 3.87157473 3.27132437 6.4098853 8.50815055 0.56525721 0.49208965 0.84521933 -0.78784842 0.79040845 1.87525222 0.32864854 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 22720-75-8 89805 170466757 Ac A 2-Acetylbenzo[b]thiophene CC(=O)c1cc2ccccc2s1 Tox21_113819 -NCGC00256598-01 196718417 tox21-ror-cho-viability-p1 set2 4 2.04705934 0.56336887 -0.95966626 0.0443827 3.34889758 -1.69877635 1.1061106 -6.8939775 -3.08300782 -6.73472821 1.90623657 3.05017994 -5.00959395 -1.41223426 -2.93283959 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-33-1 6635 144213059 A A Chlorfenson Clc1ccc(cc1)S(=O)(=O)Oc2ccc(Cl)cc2 Tox21_302742 -NCGC00254870-01 196714707 tox21-ror-cho-viability-p1 set2 4 -2.65353737 -1.67652648 -0.89990083 -0.09595251 1.92677366 -3.43931877 -4.20131985 -0.61753596 -2.11761024 -0.76632338 -2.14093569 -3.24266118 -4.8554063 -2.01319208 3.89096758 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-33-2 7800 144211284 A Fns Ethyl dodecanoate O=C(CCCCCCCCCCC)OCC Tox21_300967 -NCGC00090704-03 196714290 tox21-ror-cho-viability-p1 set2 4 10.8707224818 -9.5722379079 0.5 -9.0722379079 3.1319983358 0.4694146032 0.2240150714 0.27312862 0.52221474 2.47880268 1.18303902 0.18484514 0.33287814 0.19961999 -4.89324635 2.15275091 0.77633162 0.7573822 2.24072135 -15.89353159 -3.49557949 1.74417055 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00254702-01 196714694 tox21-ror-cho-viability-p1 set2 4 2.52780422 1.53445478 0.17944948 3.50875417 0.47380048 1.76345107 2.40974283 0.55258812 1.08031674 0.74885663 1.34852747 6.89331643 6.72143426 6.80566283 5.89021618 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10052-47-8 82326 144211115 A N,N-Diethyl-N-methylethanaminium chloride [Cl-].CC[N+](C)(CC)CC Tox21_300798 -NCGC00255044-01 196714705 tox21-ror-cho-viability-p1 set2 4 0.33269437 0.50264147 -0.16093074 0.86083357 0.05917626 2.18957312 2.29988923 0.89990083 0.57440333 3.28733881 0.96771653 2.43678726 1.11981033 2.78426612 1.78291134 1.1609999999E-9 2.5959999999E-9 5.804E-9 1.298E-8 2.9019999999E-8 6.489E-8 1.451E-7 3.245E-7 7.255E-7 0.000001622 0.000003628 0.000008112 0.00001814 0.00004056 0.000090689999999 134605-64-4 11826859 144211463 A A Butafenacil O=C(OCC=C)C(C)(C)OC(=O)c1cc(ccc1Cl)N2C(=O)C=C(N(C)C2=O)C(F)(F)F Tox21_301146 -NCGC00254831-01 196715124 tox21-ror-cho-viability-p1 set2 4 -6.21865197 -10.96443766 -3.54362179 -4.59715089 -3.96167811 -12.40038363 -13.28047625 -5.92855017 -1.80705201 -7.37084671 -10.09990402 -15.19473747 -3.03856184 -3.63676707 -12.72599466 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-50-0 2268 144211246 B B Azinphos-methyl COP(=S)(OC)SCN1N=Nc2ccccc2C1=O Tox21_300929 -NCGC00254753-01 196715127 tox21-ror-cho-viability-p1 set2 4 -0.12044861 -0.17022264 0.32637179 -0.94682352 -0.11297218 -1.38588721 -1.13102855 1.24784346 1.98115862 0.84916106 2.4454406 0.86719302 1.80130923 2.49669575 4.43133593 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-61-9 8482 144211167 A A 4'-Sulfamylacetanilide O=S(N)(=O)c1ccc(NC(C)=O)cc1 Tox21_300850 -NCGC00254635-01 196715128 tox21-ror-cho-viability-p1 set2 4 -8.17338655 -6.68485088 -12.66696924 -7.34761958 -0.19163539 -10.78247223 -3.89770524 -12.53910529 -6.84864392 -6.94693628 -5.44968783 -3.89700426 -5.7889876 -5.4690865 -0.10366239 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 136-45-8 8693 144211046 A A Dipropyl 2,5-pyridinedicarboxylate O=C(OCCC)c1cnc(cc1)C(=O)OCCC Tox21_300729 -NCGC00257563-01 196715533 tox21-ror-cho-viability-p1 set2 4 4.09870856 -0.36456408 0.4351502 -3.33366473 -0.49708296 -3.95183021 -4.78631076 2.94592659 1.4433826 4.34944513 0.79857255 -8.25864368 0.87797413 2.40119097 0.93714312 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.571E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008214 0.00001837 0.00004107 0.00009184 944-22-9 13676 144207207 A A Fonofos S=P(Sc1ccccc1)(CC)OCC Tox21_200009 -NCGC00258341-01 196715544 tox21-ror-cho-viability-p1 set2 4 2.12769248 3.17970857 3.18733513 2.094863 3.67995906 -0.11374371 1.24376281 1.73775791 6.37304151 2.36157416 0.60656494 0 2.38551145 -0.93900877 3.75155011 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004129 0.000092319999999 2461-18-9 17163 144207985 A Bc Dodecyl glycidyl ether CCCCCCCCCCCCOCC1CO1 Tox21_200787 -NCGC00163843-03 196715939 tox21-ror-cho-viability-p1 set2 4 0.47445001 -2.60205617 -4.4848288 0.01101945 0.2218874 -0.9641958 -1.66140632 -4.849062 0.64963441 -0.88020932 0.47035316 -5.2644829 -1.7694495 -1.14149827 4.67122877 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00258617-01 196715959 tox21-ror-cho-viability-p1 set2 4 0.77312543 2.48964783 2.09073067 1.78016218 1.98568565 0.99187711 2.58902632 4.05547561 -0.76556041 1.50950442 -0.06064436 -1.23550999 1.06665275 3.03057221 0.76127535 1.188E-9 2.656E-9 5.9389999999E-9 1.3279999999E-8 2.9699999999E-8 6.64E-8 1.4849999999E-7 3.32E-7 7.4239999999E-7 0.0000016599999999 0.000003712 0.0000083 0.00001856 0.0000415 0.000092799999999 100-41-4 7500 144208262 FNS Ethylbenzene CCc1ccccc1 Tox21_201064 -NCGC00257056-01 196719217 tox21-ror-cho-viability-p1 set2 4 0.0000097783 -90.61100472 -67.72214839 -23.65710311 -2.3127281 -0.03159413 -1.82090025 -0.68657919 -1.13833917 -14.79470498 -1.076847 -3.08831218 3.72219381 2.6907415 2.40590762 2.43547245 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 2231-57-4 2724189 144213590 F Bc Thiocarbazide NNC(=S)NN Tox21_303273 -NCGC00260166-01 196724650 tox21-ror-cho-viability-p1 set3 4 -2.25921641 0.68678585 0.18528791 -1.5554427 0.62262574 -3.69615458 -2.15528401 -1.40345499 -0.18141271 -1.16764529 -0.49785067 1.38204841 -1.60239437 -1.072362 -1.78583008 1.194E-9 2.67E-9 5.9699999999E-9 1.335E-8 2.985E-8 6.6739999999E-8 1.4919999999E-7 3.337E-7 7.4619999999E-7 0.000001669 0.0000037309999999 0.000008343 0.00001866 0.00004171 0.00009328 65039-05-6 11448496 144209816 A 1-Butyl-3-methylimidazolium iodide [I-].CCCCn1cc[n+](C)c1 Tox21_202618 -NCGC00260188-01 196724231 tox21-ror-cho-viability-p1 set3 4 4.3894003324 -7.80199312 7.5 -0.30199312 4.9549173134 0.6080632382 0.091865272 0.48730897 8.34445509 5.859259 7.08361267 8.14451016 8.65677226 12.5087782 6.01889757 10.95557564 6.04353497 5.53157667 -1.9183276 -0.41563639 1.44972099 0.52882536 1.194E-9 2.671E-9 5.972E-9 1.335E-8 2.986E-8 6.677E-8 1.493E-7 3.338E-7 7.465E-7 0.000001669 0.000003732 0.000008346 0.00001866 0.000041729999999 0.00009331 145022-45-3 16211849 144209838 A A 1-Ethyl-3-methylimidazolium methanesulfonate C[n+]1ccn(CC)c1.[O-]S(C)(=O)=O Tox21_202640 -NCGC00260036-01 196724653 tox21-ror-cho-viability-p1 set3 1.4 0.0106940836 18.37957224 -12.87957224 5.5 0.5 0.8515312314 0.0021694736 -9.0663102 -6.88025925 -3.66683285 -2.0691335 -1.55362219 -4.64969381 2.65077858 2.25476131 7.29734008 5.35398358 2.6779275 3.33330008 4.56354049 4.47093253 7.06914816 1.164E-9 2.6039999999E-9 5.822E-9 1.302E-8 2.911E-8 6.509E-8 1.456E-7 3.255E-7 7.2779999999E-7 0.0000016269999999 0.000003639 0.000008137 0.00001819 0.00004068 0.000090969999999 71-43-2 241 144209685 Fns Benzene c1ccccc1 Tox21_202487 -NCGC00142580-05 196725063 tox21-ror-cho-viability-p1 set3 4 0.0014960085 10.4115588 -11.4115588 -1 4.5044702849 0.5674128633 0.122440072 -11.176299 -7.47751897 -1.46405151 0.60517054 -5.04370718 1.13159182 -4.04953742 1.51250323 -1.5731655 -0.88990525 2.7534441 2.55088193 -3.39925427 -5.19994445 2.44378515 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66-72-8 1050 170466865 Z Pyridoxal Oc1c(C=O)c(cnc1C)CO Tox21_111561_1 -NCGC00015836-12 196725074 tox21-ror-cho-viability-p1 set3 4 0.0000668242 14.528348216 -14.528348216 0 3.5117481694 0.4476458754 0.228203114 -10.44029018 2.25561213 -1.00802413 1.41172582 -1.5046318 0.18324818 -2.7769373 -0.74500843 -0.72636403 -6.72312748 -0.95622951 -0.21691391 4.37914778 2.28248799 3.94282693 5.899E-11 1.319E-10 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 28797-61-7 4848 170465793 A Pirenzepine O=C(CN1CCN(C)CC1)N4c2ccccc2C(=O)Nc3cccnc34 Tox21_110239_1 -NCGC00166240-02 196725480 tox21-ror-cho-viability-p1 set3 4 0.0133331902 10.88058394 -0.38058394 10.5 2.4063783767 0.6452830187 0.0790314258 -0.73381995 0.985806 -0.26408502 0.49177274 6.83878834 7.74606841 11.35478003 14.1273425 13.57136894 17.71986891 5.78012606 6.90289546 4.96264554 8.58865975 0.64763851 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 140-87-4 8820 170466231 Z Cyacetacide N#CCC(=O)NN Tox21_112366_1 -NCGC00167471-02 196725893 tox21-ror-cho-viability-p1 set3 2.4 33.4914596268 30.501199264 -2.501199264 28 4.9549173134 0.7269135678 0.0271582029 -9.58433272 0.70532075 4.86835437 1.10896838 -0.89211128 -0.31955314 -6.38428834 0.11889871 0.31674936 -9.01939009 -5.51566534 -0.51735315 -4.7973028 -4.45424933 24.58119169 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 532-11-6 2194 170465669 F Anethole trithione COc1ccc(cc1)C2=CC(=S)SS2 Tox21_112475_1 -NCGC00025341-06 196725902 tox21-ror-cho-viability-p1 set3 4 0.001333319 11.583820264 -2.583820264 9 3.1319983358 0.4085666427 0.2646832104 -1.31985022 2.27197508 12.29231621 7.0011967 3.86586567 10.45132352 13.42448898 10.30309773 9.4662828 4.21125318 5.56290487 9.66455864 13.40866838 2.76635983 11.45545845 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 75695-93-1 3784 170465070 A Isradipine O=C(OC)C3=C(C)NC(C)=C(C(=O)OC(C)C)C3c1cccc2nonc12 Tox21_110690_1 -NCGC00073457-04 196725908 tox21-ror-cho-viability-p1 set3 4 0 -0.23531552 6.55308062 7.18280982 -11.69497226 7.8170322 -14.74272361 -13.87499025 -0.72391668 5.22006477 4.31564416 6.02084936 0.98486012 1.80935871 1.97618239 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35944-74-2 118264 170466159 A Metomidate hydrochloride Cl.CC(c1ccccc1)n2cncc2C(=O)OC Tox21_110988_1 -NCGC00253752-01 196725915 tox21-ror-cho-viability-p1 set3 -2.4 16.3534627896 -29.340664032 -2.5 -31.840664032 2.2526478767 0.7920187278 0.0093999098 -4.46750518 -2.46221887 2.31575925 -0.88209145 -4.5759653 2.74775633 -4.44198289 -3.62673059 -6.97584894 -3.42308437 0.54819101 -4.53714771 -5.01334044 -7.88523012 -23.20055336 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 67199-66-0 71750 170466457 A A Daniquidone Nc1ccc2N=C3c4ccccc4C(=O)N3Cc2c1 Tox21_113867 -NCGC00159473-05 196705259 tox21-ror-cho-viability-p1 set1 4 -2.32800788 3.82036685 -1.35844586 -0.67845121 -1.38486827 -2.92474746 0.37091325 -2.20458076 -3.51871202 -2.50328298 0.18485388 4.35123584 -1.82993394 0.94784779 -3.11369642 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004107 0.00009184 3616-78-2 16219349 144206418 A A (-)-Fenfluramine hydrochloride Cl.FC(F)(F)c1cccc(C[C@@H](C)NCC)c1 Tox21_112865 -NCGC00092376-06 196704428 tox21-ror-cho-viability-p1 set1 4 21.1316824289 -20.1927274559 0.5 -19.6927274559 3.1319983358 0.9244464035 0.0000775752 0.3464222 0.05184532 2.84892726 -3.69173954 -0.09582108 -0.51274201 0.62871087 0.32894961 0.92268942 0.73763413 -0.67802952 1.10278101 1.02628446 -9.72145486 -18.07727288 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 78416-81-6 3060974 170466118 A Trequinsin hydrochloride Cl.Cc4cc(C)cc(C)c4\N=C2/C=C1c3cc(OC)c(OC)cc3CCN1C(=O)N2C Tox21_111279_1 -NCGC00262928-01 196704429 tox21-ror-cho-viability-p1 set1 4 3.2620423 2.59264858 0.61935945 2.93147153 0.97918411 2.16777691 1.87671031 2.23689711 3.22087671 0.06414074 0.40118248 2.22206776 -0.89143727 -0.41013128 0.48891072 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 167221-71-8 153994 170466066 A A Clevidipine CC=1NC(C)=C(C(C=1C(=O)OCOC(=O)CCC)c2cccc(Cl)c2Cl)C(=O)OC Tox21_113923 -NCGC00159404-04 196705249 tox21-ror-cho-viability-p1 set1 4 0.41506327 2.26963929 1.39147971 0.69889697 2.99476774 2.06650341 -1.37344073 0.79381495 2.19256799 2.38423018 0.51882092 4.48426142 2.15680531 2.22861472 5.97162539 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4065-45-6 19988 170465489 A Sulisobenzone OS(=O)(=O)c1cc(c(O)cc1OC)C(=O)c2ccccc2 Tox21_111639_1 -NCGC00247728-01 196705261 tox21-ror-cho-viability-p1 set1 4 -1.02845333 1.58998796 1.12402746 0.78520422 -1.64613171 -0.71022789 -2.24772979 2.98494694 -3.25001254 1.3797152 -0.83768124 0.49319345 -2.39568428 -0.21073304 -1.88218025 1.1699999999E-9 2.6159999999E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.539E-8 1.462E-7 3.269E-7 7.311E-7 0.000001635 0.0000036549999999 0.000008173 0.00001828 0.000040869999999 0.00009138 520-53-6 4980 144206447 I I Psilocin CN(C)CCc2cnc1cccc(O)c12 Tox21_112894 -NCGC00263906-02 196705262 tox21-ror-cho-viability-p1 set1 4 -0.96492954 -2.34287133 0.76670544 -1.2282552 -0.72637657 -0.81009705 -0.64284841 0.69550561 -2.61531033 -0.97678187 0.05668716 0.17887322 -0.48099021 -0.59433449 -2.81413281 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 751-97-3 54680694 170465919 Fc Rolitetracycline O=C(NCN1CCCC1)C4=C(O)[C@@H](N(C)C)[C@@H]5CC3C(C(=O)c2c(O)cccc2[C@@]3(C)O)=C(O)[C@]5(O)C4=O Tox21_110483_1 -NCGC00159449-04 196705265 tox21-ror-cho-viability-p1 set1 4 0.0023710138 7.39826086 -6.39826086 1 1.752947691 0.4615905213 0.216011883 -6.58188405 -3.10251666 -3.23570356 -0.41287939 3.37026971 0.10539902 3.98722862 4.88678171 -3.12733335 -0.66575784 2.14919304 2.3678699 -3.02964083 2.24087898 -1.18925719 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82-99-5 11061 170466519 A Thiphenamil CCN(CC)CCSC(=O)C(c1ccccc1)c2ccccc2 Tox21_111675_1 -NCGC00160443-02 196705268 tox21-ror-cho-viability-p1 set1 4 18.8336317891 10.29124454 -2.29124454 8 0.8999999999 0.718536077 0.0313349102 -4.40937045 -0.6266316 -3.23770453 -3.08328093 -2.03950535 -1.87612196 0.40165992 -1.38939549 -3.05283049 -0.95940298 0.72593965 -1.97177946 1.87212191 1.89694146 6.02854679 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7413-36-7 6317 170466210 A Nifenalol O=[N+]([O-])c1ccc(cc1)C(O)CNC(C)C Tox21_113084_1 -NCGC00259887-01 196705670 tox21-ror-cho-viability-p1 set1 4 1.6486115 0.10700942 4.13874775 0.32792087 5.07843287 1.26387036 3.88409006 4.87880673 2.66667519 6.91500448 -2.162854 -1.73619142 0.77608445 -0.16821099 1.75797383 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003673 0.0000082119999999 0.000018359999999 0.00004106 0.000091819999999 7287-19-6 4929 144209536 A A Prometryn CSc1nc(NC(C)C)nc(NC(C)C)n1 Tox21_202338 -NCGC00259365-01 196705674 tox21-ror-cho-viability-p1 set1 4 4.16620415 8.12669654 -0.23820924 0.43895569 6.77472179 2.54581333 -0.39000649 -0.13591589 3.26553689 -0.5387905 0.93915887 1.39396095 1.69046709 -0.80399449 1.12549975 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.33E-7 7.446E-7 0.000001665 0.0000037229999999 0.000008324 0.00001861 0.00004162 0.000093069999999 1083-57-4 14130 144209014 A A 3-Hydroxy-4-butyrophenetidide CCOc1ccc(cc1)NC(=O)CC(C)O Tox21_201816 -NCGC00258827-01 196705682 tox21-ror-cho-viability-p1 set1 4 0.5310047196 7.81285926 -7.31285926 0.5 4.9549173134 0.3882724015 0.2832478709 -2.2092993 -1.95410061 -0.71449135 -19.01071605 -9.6166428 -4.90984745 -10.29578789 -10.54677318 0.10570769 0 -0.52419276 -5.81982425 1.62996095 4.42372397 1.36754739 1.155E-9 2.583E-9 5.776E-9 1.291E-8 2.8879999999E-8 6.457E-8 1.444E-7 3.229E-7 7.2199999999E-7 0.000001614 0.0000036099999999 0.0000080719999999 0.000018049999999 0.00004036 0.000090239999999 95-87-4 7267 144208473 A A 2,5-Dimethylphenol Cc1cc(O)c(C)cc1 Tox21_201275 -NCGC00256534-01 196719451 tox21-ror-cho-viability-p1 set2 4 -0.20383981 0.46868487 2.91310313 1.87101132 2.49576307 5.54701631 0.77097172 4.44953518 6.05514085 4.77117816 7.23944422 5.14059734 -1.58716637 1.76542145 -1.79488554 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-77-6 638014 144213179 Z F beta-Ionone CC=1CCCC(C)(C)C=1/C=C/C(C)=O Tox21_302862 -NCGC00257357-01 196719004 tox21-ror-cho-viability-p1 set2 4 1.35939187 0.26803796 1.10601719 4.2532048 -7.13791136 0.52728059 -8.33947839 -4.01846045 -12.52543031 -3.48688948 -12.32988586 1.51185689 -0.38616339 -0.72896553 0.60229727 7.579E-10 1.6949999999E-9 3.789E-9 8.473E-9 1.895E-8 4.2369999999E-8 9.4729999999E-8 2.1179999999E-7 4.737E-7 0.000001059 0.0000023679999999 0.000005296 0.00001184 0.00002648 0.00005921 129453-61-8 104741 144213958 F F Fulvestrant FC(F)(F)C(F)(F)CCCS(=O)CCCCCCCCC[C@@H]2Cc1cc(O)ccc1[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@H]23 Tox21_303656 -NCGC00164789-04 196725771 tox21-ror-cho-viability-p1 set3 4 0.6682424727 -28.70443118 1.5 -27.20443118 0.3 0.6626827113 0.0567859224 0 0 0 -13.92025157 -3.86531457 -8.68097579 -8.58418784 -9.66341238 -0.44141983 -19.73847821 -17.58088274 -12.3473141 -20.14363862 -19.90213272 -21.00369265 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 129453-61-8 104741 170464917 A Fulvestrant FC(F)(F)C(F)(F)CCCS(=O)CCCCCCCCC[C@@H]2Cc1cc(O)ccc1[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@H]23 Tox21_110939_1 -NCGC00253608-01 196725775 tox21-ror-cho-viability-p1 set3 4 3.21794155 0.25599496 2.24528497 -0.85744064 -3.89183536 -2.49346576 -2.02052446 -1.54604905 2.63560882 -4.92317441 -2.68209047 -2.64216306 -1.09536621 -0.71656657 -3.20217017 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2127-01-7 16473 170466039 A A Chlorexolone NS(=O)(=O)c1cc2C(=O)N(Cc2cc1Cl)C3CCCCC3 Tox21_113742 -NCGC00015955-16 196725359 tox21-ror-cho-viability-p1 set3 4 0.0014960085 -13.441537704 5 -8.441537704 4.5044702849 0.7302396664 0.0261394473 6.08548425 0 -7.40571536 -10.11668217 -3.37449497 -10.6595579 -6.74848928 -7.26489084 -9.7398019 -12.07599754 -4.14423378 -7.94121299 -12.45128142 -9.16597255 -7.72830388 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 18559-94-9 2083 170465034 I Salbutamol sulfate OCc1cc(ccc1O)C(O)CNC(C)(C)C Tox21_110266_1 -NCGC00015623-10 196725368 tox21-ror-cho-viability-p1 set3 4 0.0059557173 -3.801524448 2.5 -1.301524448 4.9549173134 0.3715310241 0.3040522877 -0.43186606 0.78155746 8.05380099 -0.61320885 -2.80788329 0.25336036 -1.50197372 -2.87947573 0.16834831 -0.99948904 0.90695742 -3.16793704 -2.74243383 -0.15769736 -1.55841244 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6620-60-6 4922 170465774 A Proglumide O=C(NC(CCC(=O)O)C(=O)N(CCC)CCC)c1ccccc1 Tox21_110557_1 -NCGC00253667-01 196725778 tox21-ror-cho-viability-p1 set3 4 1.75999829 -1.09339171 -0.06545401 0.48878693 -1.74719958 -2.14005398 -8.01038196 -0.23289315 -0.87069414 -11.64641114 1.51789465 -1.94541216 -8.77541994 -2.19161757 1.18788458 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3721-95-7 19494 170466665 Z A Cyclobutanecarboxylic acid O=C(O)C1CCC1 Tox21_113791 -NCGC00319022-01 196725784 tox21-ror-cho-viability-p1 set3 1.4 0.6682424727 28.8388467281 0.1611532719 29 0.7 0.8211719844 0.0049290081 -0.69903894 -0.2840613 3.22677546 0 0 0 18.57407639 0 12.32627605 14.35014302 18.37293186 25.68180048 29.02369155 20.36376098 28.64953814 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 137-86-0 3034020 170465976 Ac F Octotiamine Nc1nc(C)ncc1CN(C=O)C(\C)=C(/CCO)SSCCC(CCCCC(=O)OC)SC(C)=O Tox21_113988 -NCGC00024512-07 196726191 tox21-ror-cho-viability-p1 set3 4 0 0 -5.96240859 -2.8792674 4.98773388 -1.20944124 4.29015913 1.46766022 -5.35854177 -2.74754212 -3.39442379 2.35617093 -1.80456071 1.7518708 1.81760772 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 407-41-0 68841 170466581 F Dexfosfoserine O=P(O)(O)OC[C@H](N)C(=O)O Tox21_112050_1 -NCGC00256796-01 196726598 tox21-ror-cho-viability-p1 set3 4 48.5577336745 -17.936097296 0 -17.936097296 3.0654483358 0.8089460157 0.0066174088 -0.05244993 0.16341447 -0.82446879 0.90002764 -0.40568603 -5.76815346 -0.15252125 1.95063019 1.33620846 0.27822816 4.45949579 -0.62666398 0.82568342 -7.28143696 -15.78008108 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 29461-14-1 86287524 144212787 FC Isolongifolanone CC3(C)C1CC2(CC1)[C@H]3C(=O)CCC2(C)C Tox21_302470 -NCGC00160537-04 196726609 tox21-ror-cho-viability-p1 set3 4 -7.40099602 -4.1910636 -27.59509535 0.95104492 -4.79371487 -3.55049052 -3.20525575 -2.31821341 0 -2.25277277 0 -16.15864542 -11.36002179 -1.67248256 -4.33068827 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00256585-01 196726613 tox21-ror-cho-viability-p1 set3 3 68.5896218971 118.0308914545 -1.2125406946 116.8183507599 4.9549173134 0.9334922798 0.2028371737 3.0635784 4.89386627 0.4806086 2.53933436 -0.8635743 0.20722952 -0.58701625 -1.61489024 1.95164926 -0.51040798 3.17362777 -9.66189553 -21.94040509 -81.98856307 94.87794567 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 156-10-5 9074 144213139 A A 4-Nitrosodiphenylamine O=Nc2ccc(Nc1ccccc1)cc2 Tox21_302822 -NCGC00256387-01 196727014 tox21-ror-cho-viability-p1 set3 4 -0.40226983 -0.13151132 -3.11773417 -24.55506826 -0.69259669 -0.56145772 -0.84718838 -3.52376572 -5.51258099 -3.44630647 -4.99180908 -1.51391165 0.0308389 1.37694975 1.84866029 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-47-0 7505 144213296 F Benzonitrile N#Cc1ccccc1 Tox21_302979 -NCGC00257471-01 196727027 tox21-ror-cho-viability-p1 set3 4 5.24227762 1.33747609 -0.29922522 -0.1280678 1.34113042 -0.86217092 0.38006001 -0.70898058 0.76476909 1.58264461 0.22241371 -1.19768567 -1.45049487 1.56271294 1.02544994 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81-90-3 66494 144213949 A A Phenolphthalin Oc1ccc(cc1)C(c2ccccc2C(=O)O)c3ccc(O)cc3 Tox21_303646 -NCGC00256687-01 196727028 tox21-ror-cho-viability-p1 set3 4 -19.79760287 0 0 -18.69471994 -21.67093341 -4.53039643 0 -0.72496871 -0.87437263 0 0 -11.36105602 -5.7210319 -3.10441895 -3.26509879 1.222E-9 2.733E-9 6.111E-9 1.367E-8 3.056E-8 6.833E-8 1.528E-7 3.416E-7 7.639E-7 0.0000017079999999 0.00000382 0.000008541 0.0000191 0.0000427 0.00009549 4437-51-8 62539 144212883 F 3,4-Hexanedione CCC(=O)C(=O)CC Tox21_302566 -NCGC00258755-01 196702149 tox21-ror-cho-viability-p1 set1 4 0.0048903604 10.382842396 -9.882842396 0.5 3.9899729863 0.685332449 0.0550814255 -8.87527434 -10.31903533 -2.48314716 0.06253319 0.57779413 1.43629238 -0.86398704 0.67794242 4.1219263 3.41581343 1.46792143 0.69069733 1.56394999 -6.71525107 -6.89362888 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.968E-8 6.6359999999E-8 1.484E-7 3.318E-7 7.4189999999E-7 0.000001659 0.000003709 0.000008295 0.00001855 0.000041469999999 0.00009274 26538-44-3 2999413 144208401 A A Zearalanol Oc1cc(O)cc2CCCCC[C@@H](O)CCC[C@H](C)OC(=O)c12 Tox21_201203 -NCGC00257856-01 196702132 tox21-ror-cho-viability-p1 set1 4 2.15904526 0.09901289 2.35681977 -0.42359063 -9.51547718 1.13100924 -5.08159697 0.02456954 2.1443639 1.49083651 -5.27146098 -1.97326671 -8.47673538 2.04744534 1.96140951 1.1759999999E-9 2.63E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.576E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.00000822 0.000018379999999 0.0000411 0.0000919 2008-39-1 16180 144207500 A A 2,4-D, Dimethylamine salt Clc1cc(Cl)ccc1OCC(=O)O.CNC Tox21_200302 -NCGC00257661-01 196702143 tox21-ror-cho-viability-p1 set1 4 0.32404165 1.14577174 -1.35915685 -3.78983242 -10.18903994 2.63785434 0.55774115 -5.16978268 -1.11435288 0.61501343 -6.0727857 -2.8866505 0.14142148 -11.64883796 -11.71165818 1.196E-9 2.6729999999E-9 5.978E-9 1.337E-8 2.989E-8 6.684E-8 1.494E-7 3.3419999999E-7 7.4719999999E-7 0.000001671 0.000003736 0.0000083539999999 0.000018679999999 0.00004177 0.000093409999999 68085-85-8 6440556 144207305 A A Cyhalothrin Cl\C(=C/[C@@H]3[C@H](C(=O)O[C@H](C#N)c2cccc(Oc1ccccc1)c2)C3(C)C)C(F)(F)F Tox21_200107 -NCGC00258534-01 196702146 tox21-ror-cho-viability-p1 set1 4 4.4600779021 -12.67649034 -7.40433664 -20.08082698 0.3 0.5297107536 0.1539368229 -13.77125257 -5.46927042 -7.98903803 -5.3369472 -10.56165094 -10.03978196 -12.59226289 -14.66667325 -11.35079235 -13.36854619 -10.2744481 -14.66169819 -15.95490713 -13.80694188 -18.40068915 1.21E-9 2.706E-9 6.051E-9 1.353E-8 3.0259999999E-8 6.765E-8 1.5129999999E-7 3.3829999999E-7 7.564E-7 0.000001691 0.000003782 0.000008457 0.00001891 0.00004228 0.00009455 91-58-7 7056 144208179 A Ac 2-Chloronaphthalene Clc1ccc2ccccc2c1 Tox21_200981 -NCGC00257992-01 196702549 tox21-ror-cho-viability-p1 set1 -2.1 54.6489338392 -110.2781533662 0.9864071719 -109.2917461943 1.98874246 0.965756583 0.0000010252 0.71042097 3.25147226 1.10201224 -1.86950638 -5.95940084 0.37979247 7.33915086 5.78433274 7.01386103 -0.08182462 -0.53321187 -10.51117641 -11.15488019 -36.16487208 -82.79677742 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 112-03-8 8155 144207636 A A N,N,N-Trimethyloctadecan-1-aminium chloride [Cl-].C[N+](C)(C)CCCCCCCCCCCCCCCCCC Tox21_200438 -NCGC00260458-01 196702967 tox21-ror-cho-viability-p1 set1 4 -6.3857083 1.33076709 -0.24391402 0.00488157 0.12365967 0.7061016 4.85111728 -0.34002792 -0.04807623 0.99275781 -10.47504136 1.10631337 -0.27515396 -6.35121752 -7.32079647 1.2009999999E-9 2.6849999999E-9 6.0029999999E-9 1.3419999999E-8 3.0009999999E-8 6.711E-8 1.501E-7 3.356E-7 7.5029999999E-7 0.0000016779999999 0.0000037519999999 0.0000083889999999 0.00001876 0.00004195 0.00009379 321-60-8 67579 144210110 A A 2-Fluorobiphenyl Fc2ccccc2c1ccccc1 Tox21_202912 -NCGC00260359-01 196702974 tox21-ror-cho-viability-p1 set1 4 79.4699873342 -14.872916528 1.5 -13.372916528 4.9549173134 0.7297956336 0.0266463784 0.39134703 -0.03222905 1.75608632 0.29608014 -0.02141257 -0.87944346 3.32646071 3.77927613 0.02272326 2.39270848 5.41099066 0.58424435 1.85410918 1.43936489 -9.47743044 1.212E-9 2.711E-9 6.061E-9 1.3549999999E-8 3.031E-8 6.7769999999E-8 1.515E-7 3.388E-7 7.576E-7 0.0000016939999999 0.0000037879999999 0.0000084709999999 0.00001894 0.00004235 0.000094709999999 203866-13-1 2756017 144210011 A A 1,2-Pyrrolidinedicarboxylicacid,4-fluoro-,1-(1,1-dimethylethyl)ester,(2S,4S)- CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(=O)O Tox21_202813 -NCGC00260416-01 196702975 tox21-ror-cho-viability-p1 set1 4 0.0242622881 -5.0566260999 0 -5.0566260999 4.9549173134 0.3502217516 0.3376509473 -0.9186463 -0.89715273 -1.21791894 3.66135798 -5.01058505 -4.78142881 -4.46343604 -2.6198282 -1.94535091 -10.88052175 -0.33092333 -9.07813035 -1.84980195 -6.57557168 4.40465203 1.177E-9 2.6319999999E-9 5.886E-9 1.316E-8 2.943E-8 6.5809999999E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.000003679 0.000008226 0.00001839 0.00004113 0.000091969999999 765-09-3 13000 144210068 Ac Fc Tridecane,1-bromo- BrCCCCCCCCCCCCC Tox21_202870 -NCGC00260151-01 196702977 tox21-ror-cho-viability-p1 set1 -2.2 61.1927368097 -72.7681582603 1.9251342415 -70.8430240188 2.5334283767 0.9593084669 0.0000026968 2.27737412 2.08701009 4.80586752 7.82835758 -0.30885663 0.3135487 1.19170071 7.34877844 -0.13760297 2.13019957 2.12339271 -3.40306977 -5.52746 -16.75776176 -53.66895759 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.00004125 0.000092249999999 84449-90-1 5035 144209801 A A Raloxifene Oc1ccc(cc1)c3sc2cc(O)ccc2c3C(=O)c5ccc(OCCN4CCCCC4)cc5 Tox21_202603 -NCGC00260247-01 196702982 tox21-ror-cho-viability-p1 set1 4 2.05769241 0.19563911 -0.21422558 7.47446829 0.26601268 0.17172996 0.44860855 -2.49830703 0.43370543 0.5061079 1.62186255 4.84663551 -0.20069609 -2.04546838 -0.07342413 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.593E-8 1.474E-7 3.297E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009214 7324-00-7 21917397 144209897 A A 1-Hexylpyridinium iodide [I-].CCCCCC[n+]1ccccc1 Tox21_202699 -NCGC00259858-01 196703390 tox21-ror-cho-viability-p1 set1 4 -3.79201874 -8.7962632 -9.71621264 -5.10387983 -15.10407183 -0.24392228 -8.7579264 -1.57295512 -3.09653046 -11.69781711 -2.85806487 0.78373457 -9.75525777 -3.33995595 -0.93907468 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1948-33-0 16043 144209507 Z Z tert-Butylhydroquinone CC(C)(C)c1cc(O)ccc1O Tox21_202309 -NCGC00357244-01 196703396 tox21-ror-cho-viability-p1 set1 4 12.1971512362 6.187755268 -2.187755268 4 2.4063783767 0.3444328758 0.3440610221 -1.71098693 -2.85847352 -6.82312939 -2.69181224 -0.47480858 3.74981542 -0.49552462 -2.00909131 -0.37284385 -6.45048417 -3.54228898 -1.39753231 4.4202177 2.65948693 -0.06051662 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-07-2 6580 251919765 Ac Chloroacetamide ClCC(N)=O Tox21_304037 -NCGC00163930-04 196698664 tox21-ror-cho-viability-p1 set1 4 0.07697003 -1.31978809 0.15686183 -0.2494947 1.90878278 -1.24161441 -0.41667536 1.2602601 -1.63425017 0.03896954 1.55489059 1.56334533 -15.19709469 1.33674237 -5.47341661 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00254651-01 196699061 tox21-ror-cho-viability-p1 set1 4 0.25602191 1.67493321 3.79138176 3.24163061 1.89237272 1.4985191 2.58049516 3.61358101 2.85269143 -1.51332796 -0.2319491 1.66757669 3.94187767 2.01874768 2.34456888 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 51235-04-2 39965 144211062 A A Hexazinone CN(C)C2=NC(=O)N(C1CCCCC1)C(=O)N2C Tox21_300745 -NCGC00091326-06 196698652 tox21-ror-cho-viability-p1 set1 4 26.6032120037 8.4875606319 -1.4875606319 7 3.6772481694 0.4078180177 0.2676549087 2.35692655 -1.54694439 -7.48963386 -2.28967798 -5.01135428 0.57888601 -1.88896014 -0.89351747 1.42279287 -1.91110258 -0.85795353 0.07390113 -1.05750525 0.91123201 5.99269565 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103-84-4 904 170465493 A Acetanilide O=C(C)Nc1ccccc1 Tox21_111113_1 -NCGC00181913-02 196698658 tox21-ror-cho-viability-p1 set1 -3 29.8492948118 -36.2462375 0 -36.2462375 4.9549173134 0.9234580821 0.0000823722 0.43759289 0.58579573 3.03557366 0.51051756 3.98941967 -2.29373384 -2.32491304 -3.33536642 1.46055019 0.62880207 0.54837574 0.49110003 -5.50677169 -4.65232398 -32.28853125 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14587-50-9 208836 144206884 A A Difeterol OC(C(C)N(C)CCOC(c1ccccc1)c2ccccc2)c3ccccc3 Tox21_113333 -NCGC00254057-01 196699068 tox21-ror-cho-viability-p1 set1 4 2.79196198 0.33865259 -0.00615819 2.54265492 1.61186694 -2.27506608 4.00772342 1.67601946 3.39698957 3.8538615 0.13372853 2.42699902 1.93044432 0.41822548 4.0972909 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58-08-2 2519 144210330 A A Caffeine O=C2c1n(C)cnc1N(C)C(=O)N2C Tox21_300010 -NCGC00016000-13 196699069 tox21-ror-cho-viability-p1 set1 -2.1 24.9068469976 -122.7729252979 8.700204536 -114.0727207619 0.3 0.8187889988 0.0052105202 1.02159801 0.00034887 -1.40756455 0.13938177 1.57922679 -0.16335766 -9.30773472 -26.56642997 -31.40711011 -42.02023159 -38.41753025 -37.6274145 -44.28622937 -32.99254258 -86.41872785 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00254642-01 196699078 tox21-ror-cho-viability-p1 set1 4 -0.48611837 -0.17182001 1.89922489 0.77159064 4.54192255 -4.88374983 -0.45611464 0.58804124 1.13158486 0.6508754 1.23432417 1.88413664 1.10286125 -0.100592 0.87567033 1.154E-9 2.5809999999E-9 5.772E-9 1.291E-8 2.886E-8 6.453E-8 1.443E-7 3.227E-7 7.215E-7 0.0000016129999999 0.000003607 0.000008066 0.000018039999999 0.000040329999999 0.00009018 6734-80-1 24180709 144211053 D Metam-sodium hydrate [Na+].O.O.O.[S-]C(=S)NC Tox21_300736 -NCGC00254299-01 196699481 tox21-ror-cho-viability-p1 set1 4 -0.12075672 -1.5983866 1.23731083 -1.81824223 2.83489073 0.4665419 3.99895178 -3.34651126 1.18236803 -12.21710519 0.74880574 1.06468324 -0.69622641 1.09512936 0.43701702 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2783-94-0 5359810 144210725 A A FD&C Yellow 6 [Na+].[Na+].O=S([O-])(=O)c3ccc(/N=N/c1c2ccc(cc2ccc1O)S([O-])(=O)=O)cc3 Tox21_300407 -NCGC00094521-05 196699491 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -19.694926284 0.5 -19.194926284 4.9549173134 0.9059817292 0.0002405681 0.25122202 1.58340182 -0.04860925 0.02467188 1.65426079 -0.86813367 -1.01470168 -0.9010735 0.09533475 2.73101627 0.46232381 0.70024563 -0.26578159 1.94471544 -15.16243857 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00254113-01 196699497 tox21-ror-cho-viability-p1 set1 4 3.00072397 0.47936344 0.54636723 -0.15487964 -0.52028783 0.00641251 -1.28979215 -0.06330739 0.31611399 -0.07378714 0.01919191 0.83062733 0.12704048 6.14872229 8.21544248 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-71-8 8445 144210332 A A 2-Methoxy-5-methylaniline Nc1cc(C)ccc1OC Tox21_300012 -NCGC00254414-01 196699499 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -18.6419884279 2 -16.6419884279 4.5044702849 0.7820507789 0.0114746564 0.71411308 0.81967997 5.80448492 0.67018289 -0.01923024 1.33813072 7.0021868 1.8345598 2.23990078 0.09179082 0.76040701 1.32080095 2.8110809 0.22174741 -12.61832369 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 577-11-7 23673837 144210814 A A Docusate sodium [Na+].O=S(=O)([O-])C(CC(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC Tox21_300496 -NCGC00254176-01 196699899 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -61.9575527904 -2.759379775 -64.7169325654 4.5044702849 0.9774309826 9.55E-8 -5.72420272 -0.75792933 -3.73801647 -1.15059722 -3.59803082 -3.34383675 -2.36238246 -2.62438434 -6.71494692 0.83432746 -0.60845439 -1.9978659 -2.18403481 -8.3153558 -51.75947029 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-29-3 3036 144210387 A A p,p'-DDT Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl Tox21_300067 -NCGC00160679-02 196713474 tox21-ror-cho-viability-p1 set2 4 0.0118832183 -9.950135672 9.5 -0.450135672 1.0999999999 0.7119334941 0.0332876427 7.52600755 10.01808146 9.34186052 5.73148731 1.50614411 4.62034205 -1.56023405 0.10266303 4.65155731 0.68501463 -0.66607969 -5.37511306 -1.3389237 0.97058516 0.20658163 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 96-62-8 14895 170466608 A Dinsed O=S(=O)(NCCNS(=O)(=O)c1cc(ccc1)[N+]([O-])=O)c2cc(ccc2)[N+]([O-])=O Tox21_111982_1 -NCGC00016438-04 196712658 tox21-ror-cho-viability-p1 set2 4 -5.06695576 -5.36026619 -1.65090129 -3.61026306 -4.11964467 -1.83759181 -1.24400206 -0.18241043 -0.48672667 0.3561848 0.91045568 -0.03241055 -0.44106406 0.84895782 3.76797446 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 366-70-1 9703 170465402 A Procarbazine hydrochloride Cl.CC(C)NC(=O)c1ccc(CNNC)cc1 Tox21_110439_1 -NCGC00025060-15 196713050 tox21-ror-cho-viability-p1 set2 4 1.1883218301 -5.458087308 -0.5 -5.958087308 2.9022712143 0.636427647 0.0736645094 0.99166894 2.25051426 -0.2970549 -0.72651661 -2.94621175 -3.88458366 -0.97384461 2.00481418 1.18403771 -3.05490579 -3.41421786 -8.29840609 -5.0555899 -6.91816292 -3.98700038 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-05-2 126941 170464688 A Methotrexate O=C(O)[C@H](CCC(=O)O)NC(=O)c1ccc(cc1)N(C)Cc2nc3c(nc2)nc(N)nc3N Tox21_110944_1 -NCGC00344550-01 196713064 tox21-ror-cho-viability-p1 set2 -2.4 29.8492948118 -40.82890888 6 -34.82890888 0.5 0.6954634831 0.0401172649 8.43074835 8.62488713 7.12009668 5.30493588 5.89685972 0.60990796 -0.29231692 4.24714683 -0.67040872 0.8211454 1.13986972 -12.79456156 -2.59370919 -3.01745388 -25.6907574 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10418-03-8 25249 170465251 A A Stanozolol C[C@]2(O)CC[C@H]1[C@@H]3CC[C@H]4Cc5nncc5C[C@]4(C)[C@H]3CC[C@@]12C Tox21_113993 -NCGC00254988-01 196713882 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -27.041884244 1.5 -25.541884244 4.9549173134 0.9075165313 0.0002192695 -0.03237724 3.28656971 1.83284794 0.43047338 -0.50122948 -0.73003246 0.62161902 2.29329123 2.68291868 2.94793611 0.13013495 1.85367449 4.44409299 2.93258152 -19.61823687 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69327-76-0 50367 144211405 A A Buprofezin CC(C)(C)/N=C2\SCN(c1ccccc1)C(=O)N2C(C)C Tox21_301088 -NCGC00254718-01 196713904 tox21-ror-cho-viability-p1 set2 4 2.64607742 2.12102427 3.22762967 0.6284171 1.45477016 0.69483473 -0.68762924 0.12565133 0.32059999 2.42567396 1.82701269 3.37936985 6.32172439 -0.20948268 2.65048792 1.142E-9 2.5539999999E-9 5.7099999999E-9 1.277E-8 2.8549999999E-8 6.384E-8 1.4269999999E-7 3.1919999999E-7 7.1369999999E-7 0.000001596 0.0000035689999999 0.00000798 0.00001784 0.000039899999999 0.000089219999999 10124-37-5 24963 144211131 Calcium nitrate [Ca+2].[O-][N+]([O-])=O.[O-][N+]([O-])=O Tox21_300814 -NCGC00254552-01 196714304 tox21-ror-cho-viability-p1 set2 4 76.4113045955 -23.390142392 0 -23.390142392 4.9549173134 0.6204298368 0.0829367677 0.88031275 -2.46576549 1.79981126 0.60514435 2.38772361 0.74728467 0.19587773 -0.7494391 -2.10562126 6.72271631 0.40808767 -10.39035062 0.52036683 0.2641594 -17.82511866 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.0000036659999999 0.000008198 0.00001833 0.00004099 0.000091659999999 23031-36-9 16760153 144210961 A Ac Prallethrin O=C2C[C@@H](OC(=O)[C@H]1[C@H](/C=C(\C)C)C1(C)C)C(C)=C2CC#C Tox21_300644 -NCGC00091499-05 196714307 tox21-ror-cho-viability-p1 set2 4 9.6885416101 6.885463584 -0.885463584 6 1.8851180601 0.7094471581 0.0348097019 -0.50399921 -1.8026025 -1.98788632 0.07824187 -0.21773822 0.00476743 -1.3884887 -0.35456524 -1.49013202 0.502765 0.68446553 -1.4594276 8.62494038 4.88840531 5.0050075 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00254980-01 196714309 tox21-ror-cho-viability-p1 set2 4 -0.83982923 1.03079493 -0.94484524 0.32043477 2.35385879 -0.89067922 -0.58339257 -0.67195422 2.11706074 4.22100687 1.91771547 4.68723134 6.325781 0.70461953 -0.24280432 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4682-36-4 83823 144211396 A A Orphenadrine dihydrogen citrate O=C(O)C(O)(CC(=O)O)CC(=O)O.CN(C)CCOC(c1ccccc1)c2ccccc2C Tox21_301079 -NCGC00256252-01 196710588 tox21-ror-cho-viability-p1 set2 4 0.02001018 7.53249475 1.97427359 2.42223532 4.10464732 0.13623234 0.70620687 0.26419909 0.33311213 -0.15779386 0.80591226 0.73869431 0.07842723 1.83851375 0.37877343 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 939-48-0 13654 144211813 A A Propan-2-yl benzoate CC(C)OC(=O)c1ccccc1 Tox21_301496 -NCGC00256227-01 196710175 tox21-ror-cho-viability-p1 set2 4 7.36032355 -0.7861355 3.20507061 1.78243317 1.00855377 2.29194271 0.51275283 1.62550394 -1.13783386 4.32095854 1.58216118 -0.75176425 -0.16361652 0.2923757 6.06764726 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2399-48-6 94232 144212045 A A Tetrahydrofurfuryl acrylate O=C(OCC1CCCO1)C=C Tox21_301728 -NCGC00090773-04 196727870 tox21-ror-cho-viability-p1 set3 4 1.06820999 -0.35985322 -8.18484946 6.20260457 -0.58935381 1.02069828 0.03621644 0.74278556 0.09609315 2.69075337 6.20695129 1.48440628 0.9784457 1.47404346 -0.65179952 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00257489-01 196727428 tox21-ror-cho-viability-p1 set3 4 0.19208204 0.69110043 0.06698883 -0.94257349 0.41304929 0.68691657 -0.57739061 0.72298492 -0.47125302 1.63112393 0.31732916 0.53443321 1.06303308 1.54098165 1.61366466 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 5329-14-6 5987 144213791 F F Sulfamic acid NS(=O)(=O)O Tox21_303482 -NCGC00256939-01 196727436 tox21-ror-cho-viability-p1 set3 -3 27.3060203028 -52.5156129989 -0.245580201 -52.7611931999 4.9549173134 0.9487530661 0.0000232765 -0.19620467 -1.66314097 -2.28506182 0.25177434 0.73700728 -1.32389453 1.10119585 -4.11718475 2.49622576 0.21895763 0.83647702 -1.41255587 -0.46876417 -54.95957625 -0.12170185 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-58-3 7150 144213515 Bc Ac Methyl benzoate COC(=O)c1ccccc1 Tox21_303198 -NCGC00256567-01 196727449 tox21-ror-cho-viability-p1 set3 4 0.0009898068 -14.315403036 14.5 0.184596964 3.6272481694 0.8261531009 0.0044782426 11.82291112 2.41471799 1.8818475 -1.27759617 1.3790149 2.43150255 0.26192012 0.36599408 0.18646778 0.15136006 -1.0517309 -0.91489728 1.65585684 2.46912713 -1.92950253 6.755E-10 1.5109999999E-9 3.3779999999E-9 7.553E-9 1.6889999999E-8 3.776E-8 8.444E-8 1.888E-7 4.222E-7 9.441E-7 0.000002111 0.00000472 0.00001056 0.0000236 0.00005278 143-22-6 8923 144213153 A Ac 2-[2-(2-Butoxyethoxy)ethoxy]ethanol OCCOCCOCCOCCCC Tox21_302836 -NCGC00256183-01 196728263 tox21-ror-cho-viability-p1 set3 4 3.54140258 -3.76894502 0.77364926 -0.7609626 0.4667984 0.13004675 4.23317665 2.32344036 0.98669593 0.3137348 0.63192054 3.23463977 2.65842872 3.45418107 -0.26807103 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-04-6 94932 144211715 A I 4,4'-Propane-2,2-diyldicyclohexanol OC1CCC(CC1)C(C)(C)C2CCC(O)CC2 Tox21_301398 -NCGC00255469-01 196728264 tox21-ror-cho-viability-p1 set3 4 13.6854287769 -10.8476575719 4 -6.8476575719 3.1319983358 0.5816504591 0.126022819 0 6.54538961 -0.76553512 6.25611754 4.64857036 5.80945572 -0.05072703 4.86609511 1.07598553 7.13889702 7.27065265 3.24213868 -5.46914626 -5.70638131 -0.03672355 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 30391-89-0 94411 144212296 A A 2-Amino-N-(1-methylethyl)benzamide O=C(NC(C)C)c1ccccc1N Tox21_301979 -NCGC00255284-01 196728271 tox21-ror-cho-viability-p1 set3 4 -6.18993991 13.78886542 6.89843877 -3.52323847 10.50089814 -0.32017014 1.59925348 -1.0034765 0.66427831 6.62504881 1.92560567 4.29878017 -0.36002752 1.77579739 1.93242 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84-72-0 6785 144211805 A A Ethyl phthalyl ethyl glycolate O=C(OCC)c1ccccc1C(=O)OCC(=O)OCC Tox21_301488 -NCGC00256237-01 196728275 tox21-ror-cho-viability-p1 set3 4 -3.33732846 2.36803419 6.64699828 -5.14888298 -4.00479833 1.39428603 2.65621426 -0.25113823 -4.47178799 -4.08701747 15.47064642 6.24792449 6.9614006 -3.02623211 0.8789745 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-26-5 8171 144212328 A A 1,2-Bis(2-chloroethoxy)ethane ClCCOCCOCCCl Tox21_302011 -NCGC00256033-01 196728277 tox21-ror-cho-viability-p1 set3 4 -1.61788799 1.58705766 2.73869605 -0.34690326 -1.31238584 3.00780364 4.28382923 -1.597925 1.7147738 1.5973147 5.4063243 -1.42362729 1.03325348 1.19741895 0.09996931 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 2212-32-0 75171 144212038 A Ac 2-{[2-(Dimethylamino)ethyl](methyl)amino}ethanol CN(C)CCN(C)CCO Tox21_301721 -NCGC00255435-01 196728278 tox21-ror-cho-viability-p1 set3 4 -5.27884796 3.5983743 5.76981137 -0.0173132 1.73318565 -1.09712861 4.20467885 1.91846334 2.08411307 -0.34998172 2.04040691 -1.27301134 -1.00629865 -1.22344673 1.26629044 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 762-04-9 12977 144212350 Fns Diethyl phosphite CCOP(O)OCC Tox21_302033 -NCGC00258841-01 196720916 tox21-ror-cho-viability-p1 set3 4 27.4727179077 12.244562296 -5.244562296 7 4.9549173134 0.5160607515 0.1816842935 -8.32360735 -2.09603708 -9.40163089 -1.52583965 -5.57315713 -3.70782592 -5.28208259 -7.70576709 -10.62046858 -0.99614643 -1.66018484 -7.18320956 -4.6606257 6.73489146 0.62197663 1.1859999999E-9 2.651E-9 5.929E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008286 0.00001853 0.000041429999999 0.00009264 4998-76-9 2723770 144208487 A A Cyclohexylamine hydrochloride Cl.NC1CCCCC1 Tox21_201289 -NCGC00254038-01 196720509 tox21-ror-cho-viability-p1 set3 4 34.3762428541 9.082823768 -3.082823768 6 0.7999999999 0.5986463754 0.1002809588 -5.30574555 -2.20047553 -1.05270631 -5.90235314 -0.79867086 -1.81591707 -5.85970842 -2.56701743 -2.99351185 -3.46522333 -0.57035322 0.28932998 -0.70707008 0.35406135 4.52677324 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55-98-1 2478 144210637 D Busulfan O=S(C)(=O)OCCCCOS(C)(=O)=O Tox21_300318 -NCGC00259095-01 196720910 tox21-ror-cho-viability-p1 set3 4 76.3331411321 -33.3906658079 -2 -35.3906658079 4.9549173134 0.6708877427 0.0523303856 -6.54086851 -0.91510802 1.72438941 9.01973976 -0.32891295 -3.97227057 -8.293816 1.48563472 -9.2046055 -0.38704485 -1.72620087 -1.51120891 -6.23467206 -0.39449575 -27.82555484 1.172E-9 2.621E-9 5.8609999999E-9 1.311E-8 2.931E-8 6.553E-8 1.465E-7 3.277E-7 7.327E-7 0.0000016379999999 0.0000036629999999 0.000008192 0.00001832 0.00004096 0.00009159 95-95-4 7271 144208743 A A 2,4,5-Trichlorophenol Oc1cc(Cl)c(Cl)cc1Cl Tox21_201545 -NCGC00253577-01 196704644 tox21-ror-cho-viability-p1 set1 4 1.30599582 0.98556335 3.59219531 0.29768722 -5.59033365 -15.15896311 0.77388448 -0.11384778 0.10309025 2.20679654 -0.90064435 -10.44331774 2.3447668 3.68472601 5.28544561 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80734-02-7 6917773 170465777 A F Lenampicillin hydrochloride Cl.N[C@H](c1ccccc1)C(=O)N[C@@H]4C(=O)N3[C@@H](C(=O)OCC=2OC(=O)OC=2C)C(C)(C)S[C@@H]34 Tox21_113720 -NCGC00015227-08 196704625 tox21-ror-cho-viability-p1 set1 4 0.20370956 -1.19244332 3.31372531 0.58851178 -0.18484422 1.4280414 -1.05277201 2.34891355 3.99152777 0.92871946 -5.36668478 -0.07465724 1.37640327 -0.36378044 0.11139213 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5502-69-2 60196361 170466889 C Dexchlorpheniramine hydrochloride Cl.Clc1ccc(cc1)[C@H](CCN(C)C)c2ccccn2 Tox21_113570_1 -NCGC00164584-03 196704630 tox21-ror-cho-viability-p1 set1 4 0.77887378 0.30816809 -0.47695221 0.23799488 0.55297909 1.68947589 -2.66064611 2.16454045 1.19122809 2.49149439 3.22341617 0.28443248 4.45694246 2.29819794 1.97986123 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27724-96-5 34001 170465783 A Cetraxate hydrochloride Cl.NC[C@H]1CC[C@@H](CC1)C(=O)Oc2ccc(CCC(=O)O)cc2 Tox21_112210_1 -NCGC00253764-01 196704647 tox21-ror-cho-viability-p1 set1 4 0.66987258 4.65131478 0.61742201 1.15192347 0.64859019 1.4193431 1.75222216 1.02572302 0.51749778 -5.03883927 -0.10705477 2.38469597 5.28788272 0.8649154 5.03934512 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 65571-68-8 71967 170466211 A A Lofemizole Clc1ccc(cc1)c2ncnc2C Tox21_113877 -NCGC00179248-03 196704648 tox21-ror-cho-viability-p1 set1 4 -0.33779634 0.15243924 3.33624692 0.02739781 0.07334125 -2.99594296 -0.01204371 0.00493199 -3.27052576 -0.2371415 -3.19192041 2.67080264 0.40848225 1.26658076 4.07363614 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23964-57-0 32169 170464825 A Articaine hydrochloride Cl.O=C(Nc1c(scc1C)C(=O)OC)C(C)NCCC Tox21_110609_1 -NCGC00166232-02 196705042 tox21-ror-cho-viability-p1 set1 4 0.72947094 0.15697201 -0.40470744 2.05996061 1.58931761 4.31058124 0.51181035 2.24449611 2.19516235 2.44904514 0.53943268 1.56288336 3.73790623 4.77508273 0.05757057 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 140-39-6 8797 170466885 F 4-Tolyl acetate O=C(C)Oc1ccc(C)cc1 Tox21_112361_1 -NCGC00263572-01 196705045 tox21-ror-cho-viability-p1 set1 4 2.1131682429 -7.560479236 1.5 -6.060479236 4.9549173134 0.3714564855 0.2998153828 1.37077016 -0.52458342 3.54345989 0.14813326 2.8157184 0 -0.24804325 5.14546018 0.57664198 0.55046994 0.01850658 -16.71706603 0.56952492 0.78884346 -8.54800165 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 201530-41-8 5493381 170464723 A Deferasirox O=C(O)c1ccc(cc1)n3nc(nc3c2ccccc2O)c4ccccc4O Tox21_112926_1 -NCGC00090965-04 196703427 tox21-ror-cho-viability-p1 set1 4 8.6349217992 4.7086643079 -0.2086643079 4.5 3.9294729863 0.4092246607 0.2850640373 0.0236065 1.16238501 -0.79544969 1.17872329 -1.24853252 1.37662032 -0.49908097 -1.84055359 0.44675434 -0.54340353 0.46225403 1.02589102 9.15974376 0.374031 0.20666744 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00357144-01 196703408 tox21-ror-cho-viability-p1 set1 4 0.19438453 -0.11331219 6.18572052 -0.10234538 3.95382667 -1.49523373 2.08015123 -0.04714554 3.93049428 4.4789926 2.13221934 3.26330748 -0.67975979 3.53304824 -3.98238439 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-02-2 7363 251919978 F 2-Furylmethanethiol SCc1ccco1 Tox21_303886 -NCGC00260360-01 196703419 tox21-ror-cho-viability-p1 set1 4 -0.02265898 4.16889633 0.17443445 3.65652047 0.05426812 0.97022626 3.49547759 1.7076738 5.48819042 0.22791976 0.30998715 5.00350004 0.8224599 -0.20600748 0.07525078 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 2370-63-0 71404 144210012 F 2-Ethoxyethyl methacrylate CCOCCOC(=O)C(=C)C Tox21_202814 -NCGC00163843-03 196703421 tox21-ror-cho-viability-p1 set1 4 -0.45602495 1.48212511 -0.13797861 -0.72579018 -0.51649161 -0.51448612 -0.55011985 -1.38054773 1.47213549 0.7946338 -0.37228158 -7.88575054 -6.06054326 -7.90536927 0.24166686 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00260216-01 196703822 tox21-ror-cho-viability-p1 set1 4 4.23600104 0.77489659 0.79628185 7.37090347 0.0478445 6.12249246 9.54795498 4.91991063 -2.89653443 2.40986536 5.71828797 2.33564301 0.21721665 1.75442397 -4.6449088 1.1759999999E-9 2.63E-9 5.8799999999E-9 1.315E-8 2.94E-8 6.574E-8 1.4699999999E-7 3.2869999999E-7 7.35E-7 0.0000016439999999 0.0000036749999999 0.000008218 0.000018379999999 0.00004109 0.00009188 37971-78-1 60196384 144209866 A A 1-Butyl-1-methylpiperidinium iodide [I-].C[N+]1(CCCC)CCCCC1 Tox21_202668 -NCGC00356971-01 196703829 tox21-ror-cho-viability-p1 set1 4 -2.15278392 -0.13247795 2.0254524 -2.93016277 -10.91915954 3.77506458 -0.35103588 3.85920202 -8.59772247 3.4032895 1.61301046 -3.42136618 -0.02091132 0.11553932 5.51676929 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58654-67-4 42802 251919760 Ac 5-Methyl-2-octanone CC(=O)CCC(C)CCC Tox21_303922 -NCGC00357046-01 196703830 tox21-ror-cho-viability-p1 set1 4 6.6824247267 -12.295754148 -1 -13.295754148 4.9549173134 0.6491933634 0.0647461195 1.6896204 1.0883677 0.63984483 0.3740052 -0.75389626 0.21690752 -6.94133897 0.88408021 -5.71986543 -8.34016944 -0.34292248 2.53492441 -13.99646179 -12.48973765 -11.83296397 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2460-77-7 17161 251919805 F 2,5-Di-tert-butylcyclohexa-2,5-diene-1,4-dione CC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)C Tox21_303738 -NCGC00090987-05 196723585 tox21-ror-cho-viability-p1 set3 4 0.16785492 8.3119675399 -3.8119675399 4.5 4.9549173134 0.3769646214 0.3102302706 -4.92813416 -6.50997295 -0.78664764 -0.36041501 -4.35847441 -5.35027794 -4.22965143 0.28159598 8.61246248 10.64898402 11.82834785 7.82891973 -5.80218766 -5.93861196 -9.22807552 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 86-87-3 6862 170466030 A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_111051_1 -NCGC00258306-01 196701570 tox21-ror-cho-viability-p1 set1 4 1.36895394 -0.70373799 0.02475858 1.95662592 1.32192923 0.12090236 2.62351608 -0.26554672 2.40334727 0.7816937 3.06376257 -0.36430507 1.43459363 -0.21879401 -5.80014485 1.2009999999E-9 2.6849999999E-9 6.0039999999E-9 1.3419999999E-8 3.002E-8 6.712E-8 1.501E-7 3.356E-7 7.505E-7 0.0000016779999999 0.0000037519999999 0.00000839 0.00001876 0.00004195 0.00009381 178631-05-5 12036651 144207950 D 1-Hexyl-3-methylimidazolium iodide [I-].C[n+]1ccn(CCCCCC)c1 Tox21_200752 -NCGC00257574-01 196701995 tox21-ror-cho-viability-p1 set1 4 4.8064345641 5.675305712 -3.675305712 2 4.9549173134 0.4385050471 0.2367856641 -5.21775487 -1.11397053 -1.99345475 -3.11468994 -2.3748721 -3.21511889 -11.81275476 -3.01765142 -0.0056755 -6.93669102 -3.17375239 2.65432153 3.08685165 -1.35683927 2.9883774 1.1699999999E-9 2.617E-9 5.851E-9 1.3079999999E-8 2.925E-8 6.5409999999E-8 1.463E-7 3.271E-7 7.314E-7 0.000001635 0.000003657 0.000008177 0.00001828 0.00004088 0.00009142 1619-16-5 6537505 144207218 A A Hydroxyvalerenic acid O=C(O)C(\C)=C\[C@@H]2CC[C@@H](C)[C@@H]1C2=C(C)C[C@H]1O Tox21_200020 -NCGC00018211-10 196723593 tox21-ror-cho-viability-p1 set3 1.1 10.5909294584 81.8673236669 -5.6938993895 76.1734242774 1.287561 0.9084098746 0.0002065464 -9.66435539 1.03503174 -12.09889688 6.66185056 -4.66223071 0 -14.75455084 -12.74019216 -3.91002048 -6.72295433 15.61150795 10.5528989 21.81454851 57.56836201 65.47668153 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 42835-25-6 3374 170466145 A Flumequine O=C(O)C3=CN1c2c(cc(F)cc2CCC1C)C3=O Tox21_110840_1 -NCGC00182546-02 196723588 tox21-ror-cho-viability-p1 set3 2.4 14.9600854925 20.700049184 -0.700049184 20 1.92824246 0.8799682837 0.0007949496 2.60815183 -0.35562473 0.08947442 -0.21577015 -4.04983586 0.39632247 -2.67758584 -0.19307592 -4.33337432 0.47862757 3.55870166 -0.94667047 5.98418631 11.91494644 18.86063689 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-77-4 5282182 170465908 Fns Gefarnate C\C(C)=C\CCC(\C)=C\COC(=O)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C Tox21_112983_1 -NCGC00160553-03 196723591 tox21-ror-cho-viability-p1 set3 4 0.4730794415 6.9718739919 -0.9718739919 6 3.1319983358 0.4748268505 0.2188969122 1.04744818 0.08943234 2.91219807 -1.63376447 -2.40457896 -3.72656166 -2.82955788 -1.03785241 -3.27569792 12.34897698 5.69954867 9.06422954 4.90978186 -0.77387901 0.23757105 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82-66-6 6719 170466609 F Diphacinone O=C2c1ccccc1C(=O)C2C(=O)C(c3ccccc3)c4ccccc4 Tox21_111893_1 -NCGC00163927-04 196723599 tox21-ror-cho-viability-p1 set3 4 0.3135586261 -7.58069974 3.5 -4.08069974 4.9549173134 0.4421882829 0.2490782574 3.06649375 -2.9557052 6.66702993 2.51984395 -4.141078 9.88774211 8.42978608 -1.75912707 -4.99613206 -1.60353752 0.40020618 -5.67223953 -4.91468576 -6.73391645 1.67252876 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00260256-01 196723994 tox21-ror-cho-viability-p1 set3 4 -3.70092979 1.56031836 3.87295887 -0.78157136 -4.0853175 -7.28831846 5.40701722 -1.94899614 -0.65407494 -5.66725615 -4.4024601 -9.12173198 -2.08501821 -1.68258721 7.13920633 1.177E-9 2.6319999999E-9 5.884E-9 1.316E-8 2.942E-8 6.579E-8 1.471E-7 3.29E-7 7.356E-7 0.000001645 0.0000036779999999 0.000008224 0.00001839 0.000041119999999 0.000091939999999 528818-82-8 60196394 144209906 A A 1-Methyl-1-propylpyrrolidinium chloride [Cl-].C[N+]1(CCC)CCCC1 Tox21_202708 -NCGC00260450-01 196723999 tox21-ror-cho-viability-p1 set3 4 0.022264696 7.1784419399 -5.6784419399 1.5 4.9549173134 0.5027987291 0.1769411533 -0.92780593 -0.75343973 -13.48203495 -7.00799178 0.56022465 -0.11518227 3.2873247 0.53653268 2.06816529 1.78642202 0.73204347 0.1460417 0.93807519 -0.53264628 3.4316086 1.206E-9 2.697E-9 6.0309999999E-9 1.349E-8 3.016E-8 6.743E-8 1.5079999999E-7 3.371E-7 7.539E-7 0.0000016859999999 0.000003769 0.000008429 0.00001885 0.00004214 0.000094239999999 92146-82-2 2737408 144210102 A A tert-Butyl-3-aminobenzoate Nc1cc(ccc1)C(=O)OC(C)(C)C Tox21_202904 -NCGC00357237-01 196724010 tox21-ror-cho-viability-p1 set3 4 0.0030637859 14.673326448 -8.173326448 6.5 0.6 0.4858619195 0.2089391695 -5.97777204 1.71466011 2.56805731 0.96916294 3.60829078 0.16322031 4.25811398 8.0968929 9.11722256 9.31988468 7.650849 10.62309251 0.87543348 1.74140174 0.62825933 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 213464-77-8 11091168 251919723 F Orthosulfamuron O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Nc2ccccc2C(=O)N(C)C Tox21_304028 -NCGC00356965-01 196724011 tox21-ror-cho-viability-p1 set3 4 0.0015355304 12.379174216 -12.879174216 -0.5 4.9549173134 0.3407104787 0.3300736943 -10.73264518 -0.2548382 0.85325536 0.41126995 -3.46288935 -8.26251021 2.52212051 3.57734679 2.5016572 4.57945331 -0.34793952 0.57103781 -5.52827052 -3.45668045 -3.73799849 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2481-94-9 17204 251919768 A C.I. Solvent Yellow 56 CCN(CC)c1ccc(cc1)/N=N/c2ccccc2 Tox21_303805 -NCGC00260161-01 196724012 tox21-ror-cho-viability-p1 set3 -1.1 15.3553036427 -92.6010981534 -4.8044520629 -97.4055502163 1.826479391 0.9497669905 0.0000086148 -0.69610784 -9.93749556 -10.03355429 -10.42960089 -6.40088653 -2.06097062 -2.90411369 3.35248544 -8.41625262 -3.89870499 -12.99899348 -14.64542393 -72.63531579 -75.13679787 -89.69203519 1.18E-9 2.6389999999E-9 5.9009999999E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.299E-7 7.376E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.0000922 701921-71-3 16217238 144209811 A A Trihexyltetradecylphosphonium dicyanamide N#C[N-]C#N.CCCCCC[P+](CCCCCCCCCCCCCC)(CCCCCC)CCCCCC Tox21_202613 -NCGC00091288-05 196713086 tox21-ror-cho-viability-p1 set2 4 4.28762654 2.09417265 3.33377767 3.03401403 4.29252408 4.19072928 1.54621009 1.15298781 5.16341826 -0.97574353 0.46490361 2.00336336 1.11911334 0.55084264 1.70229061 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 83-88-5 493570 170465063 A Riboflavin OC[C@@H](O)[C@@H](O)[C@@H](O)CN2C3=NC(=O)NC(=O)C3=Nc1cc(C)c(C)cc12 Tox21_111714_1 -NCGC00244580-01 196711850 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -24.83112598 1.5 -23.33112598 4.9549173134 0.7123606186 0.0329624522 5.13437643 5.20123713 5.61567671 -2.10208416 -2.60522811 -1.98311189 2.12020136 0.85643617 1.68301684 1.03060985 -0.78608573 6.15801801 -0.34415385 0.75176023 -16.10927165 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00163919-02 196712669 tox21-ror-cho-viability-p1 set2 4 0.0012482994 -12.37395894 14 1.62604106 0.7 0.4552919733 0.2231548061 10.14305 2.51883255 5.86825827 2.78608856 5.47475872 -0.1037772 1.02823846 4.21067507 4.24066472 1.47522247 3.78879291 3.26337467 -0.31163245 0.81946993 -0.08074764 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00016829-09 196712681 tox21-ror-cho-viability-p1 set2 4 7.30773273 6.34408341 7.24638093 8.14322171 6.36353307 1.62371362 1.10001144 -0.2161017 5.99686445 1.93374684 0.03729868 -1.09225767 -0.95859714 -0.05067798 1.64530199 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 34552-84-6 54677972 170466334 A Isoxicam Cc1cc(no1)NC(=O)C3=C(O)c2ccccc2S(=O)(=O)N3C Tox21_110634_1 -NCGC00091261-03 196713092 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -14.848535248 1.5 -13.348535248 4.9549173134 0.7936569034 0.0092568481 -0.38720403 2.21576048 3.30705669 2.75913911 3.29328927 0.09787236 -0.00454108 3.16171666 -0.35323687 0.5801936 0.86174832 2.37510532 1.97353126 3.55519851 -10.29044604 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00182850-02 196713494 tox21-ror-cho-viability-p1 set2 4 -6.21594905 -5.19628896 -4.8752575 -6.84028163 -4.74286055 -5.02161977 -1.73487078 -2.35755605 -2.99702945 -0.57673307 0.31681894 0.17474854 -4.45760625 -13.91133584 -16.40468482 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82626-01-5 54897 170466634 A Alpidem CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)c3ccc(Cl)cc3 Tox21_113593_1 -NCGC00024868-09 196713491 tox21-ror-cho-viability-p1 set2 4 -1.76758076 -0.2269863 -3.3782407 -5.1063852 -2.3956577 -0.04953476 -0.86690446 -2.63932012 -0.18123478 -2.13448813 0.39378783 1.04877313 -0.00415088 2.93704388 0.70619015 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104344-23-2 5281064 170464815 A Bisoprolol fumarate O=C(O)/C=C/C(=O)O.CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.CC(C)NCC(O)COc1ccc(cc1)COCCOC(C)C Tox21_111262_1 -NCGC00344518-01 196713496 tox21-ror-cho-viability-p1 set2 4 -1.04308824 -0.97449877 0.36474075 1.31788502 -0.06292754 0.06603286 0.16833445 0.44962165 1.16049405 1.19273672 0.50672064 0.77310146 0.95525221 1.54114624 4.37533894 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 32462-30-9 36143 170466530 Z Oxfenicine N[C@@H](c1ccc(O)cc1)C(=O)O Tox21_112144_1 -NCGC00090698-06 196713499 tox21-ror-cho-viability-p1 set2 4 1.70408174 1.38901454 0.32276301 2.83549912 0.81973382 0.13174619 0.51092197 2.78111598 -0.8911934 1.56612109 2.02079733 -0.98648461 1.28880992 1.19119343 1.30357846 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 102-06-7 7594 170465656 A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_110998_1 -NCGC00255072-01 196713907 tox21-ror-cho-viability-p1 set2 4 1.82324259 2.04330361 -1.17825231 0.40573611 -0.49429368 3.08453173 -1.15051912 2.55148611 1.77479074 3.77058431 3.61330027 0.35206796 0.38726535 2.7136488 3.80695806 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 107-75-5 7888 144211491 A A 7-Hydroxy-3,7-dimethyloctanal O=CCC(C)CCCC(C)(C)O Tox21_301174 -NCGC00256076-01 196710609 tox21-ror-cho-viability-p1 set2 4 -6.80779024 -0.68314126 -0.40382039 -3.64150348 -6.49922693 -5.19778892 -2.83919929 -1.91279831 1.15902623 -0.01716999 -3.19704976 -0.57298505 -2.47629606 -1.65996295 -1.79328281 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 475-20-7 1796220 144212624 A F Longifolene C[C@@]32CCCC(C)(C)[C@H]1[C@H](CC[C@H]12)C3=C Tox21_302307 -NCGC00256066-01 196710193 tox21-ror-cho-viability-p1 set2 4 1.66131811 -6.54333462 2.25704552 -0.06880327 1.79757011 1.4780391 -1.9921702 0.01346067 2.82466784 -6.95652069 3.25621322 -1.46899974 -0.56954003 -4.89238051 -6.62544295 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 320-72-9 9445 144212013 A F 3,5-Dichlorosalicylic acid Oc1c(cc(Cl)cc1Cl)C(=O)O Tox21_301696 -NCGC00255254-01 196710196 tox21-ror-cho-viability-p1 set2 4 1.50157368 1.532749 -0.94973676 -0.39924977 -0.58257879 1.26636924 0.17392124 1.74075526 2.44769148 2.56544991 2.03900071 -0.3840303 0.06800407 1.37086372 -1.2601776 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26644-46-2 33565 144212585 I I Triforine ClC(Cl)(Cl)C(NC=O)N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl Tox21_302268 -NCGC00090721-03 196723359 tox21-ror-cho-viability-p1 set3 4 0.0048557734 -28.953999008 16 -12.953999008 0.2 0.6527353127 0.0743314908 10.55836017 -1.89594575 -1.21661049 -2.28661348 -0.72878587 -5.36849397 -1.18963659 -0.85434481 -3.66594346 -6.67123407 -6.15610432 -8.09975936 -11.21166584 -7.40082273 8.88503446 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00163930-04 196722947 tox21-ror-cho-viability-p1 set3 4 6.1130564862 -8.308616532 0.5 -7.808616532 1.713743691 0.6685293084 0.0651980441 -1.44252594 1.46693995 1.33159397 2.07621182 -0.87822394 -0.6432886 1.07526501 0.05917246 3.10027939 -1.43853008 -3.77495431 -1.57293564 -10.67384711 -5.28316789 10.7123927 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00165862-02 196723342 tox21-ror-cho-viability-p1 set3 4 33.4914596268 16.511982528 1.488017472 18 4.9549173134 0.6729662017 0.0516661361 0.28247879 0.53116815 2.96633217 2.90928457 -2.50998544 4.35289838 4.39335266 -1.69293464 0.16694585 6.22995817 1.30789828 2.01184302 1.77792413 -1.16272988 16.01698543 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 40391-99-9 4674 170464689 F Pamidronic acid OC(CCN)(P(O)(=O)O)P(=O)(O)O Tox21_111664_1 -NCGC00016672-04 196723346 tox21-ror-cho-viability-p1 set3 4 6.6824247267 16.13100696 1.36899304 17.5 0.7999999999 0.6338888845 0.0744789586 5.82339884 5.63488589 2.80767429 5.92051198 4.68954069 -0.47990531 2.093563 -0.9425058 2.12017334 7.79609758 3.54066792 7.82948657 10.32693509 12.85744799 14.61475357 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6170-42-9 80311 170466305 A Chloropyramine hydrochloride Cl.Clc1ccc(cc1)CN(CCN(C)C)c2ccccn2 Tox21_113349_1 -NCGC00357284-01 196723763 tox21-ror-cho-viability-p1 set3 4 0.0306378587 9.057559992 -6.057559992 3 4.4494702849 0.6848633869 0.0552069612 -7.7730224 -4.67069966 -1.77066585 -10.04796666 -0.97415316 0.70531973 6.28153282 6.77681638 1.18205898 3.13529738 5.43623535 0.01912693 2.58101478 -0.50654627 -8.19778816 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55179-31-2 91656 251919734 I Bitertanol CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3 Tox21_303756 -NCGC00357101-01 196723765 tox21-ror-cho-viability-p1 set3 4 0.0374222745 -14.33783378 -8.75657758 -3.30712633 -5.34770773 2.87338647 -1.57332136 0.01173582 -1.47834424 2.77074178 9.05442373 1.52438588 1.79012532 5.08759548 0.57579425 12.87573418 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 462-95-3 10024 251919903 Fns Diethoxymethane CCOCOCC Tox21_303824 -NCGC00260037-01 196723777 tox21-ror-cho-viability-p1 set3 -3 68.5198756601 -105.5141004204 0.0370434759 -105.4770569445 4.9549173134 0.9655690301 0.0000010573 -6.50305122 1.37001839 2.42460356 -5.66411534 1.67872001 -0.29400589 2.76807645 3.03099632 -3.86511545 0.75294272 2.88977975 -0.5486104 -4.87272627 1.93007272 -86.59856892 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.295E-7 7.367E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.000041179999999 0.00009209 121-54-0 8478 144209686 A A Benzethonium chloride [Cl-].CC(C)(C)CC(C)(C)c2ccc(OCCOCC[N+](C)(C)Cc1ccccc1)cc2 Tox21_202488 -NCGC00255085-01 196720532 tox21-ror-cho-viability-p1 set3 4 0.0096885416 -11.80875012 13 1.19124988 0.4 0.3808118618 0.2917592365 8.48304187 11.75347279 6.79355809 5.92793366 2.09828129 5.14165839 10.0134983 5.16210522 -0.09989739 -0.22096127 -2.3406251 8.78550784 2.08734566 3.2919364 0.71519041 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 115-84-4 61038 144211504 A A 2-Butyl-2-ethyl-1,3-propanediol CCCCC(CO)(CO)CC Tox21_301187 -NCGC00254851-01 196720523 tox21-ror-cho-viability-p1 set3 4 0.0054482673 10.01934632 -11.01934632 -1 4.9549173134 0.6560473451 0.072420495 -8.93971356 -12.9327886 -4.40863144 -0.90352827 -3.31208898 -4.22933686 -1.09501216 2.87574057 1.74061192 2.0408971 -1.4411298 -3.87966561 2.65371926 -4.44531691 -6.24442471 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 32449-92-6 2724333 144211266 I D-Glucuronolactone O[C@@H]2O[C@@H]1[C@@H](O)C(=O)O[C@@H]1[C@H]2O Tox21_300949 -NCGC00091146-04 196720528 tox21-ror-cho-viability-p1 set3 4 0.273060203 8.37897242 -8.87897242 -0.5 4.9549173134 0.3656630955 0.3048226843 -5.13006817 -1.48176253 -19.06581035 -15.6264898 -4.08609377 -0.50260929 -15.27836539 -1.25975078 -2.99887567 -0.18945667 0.92602255 2.26406487 1.57290902 -2.2626187 -4.39256407 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00254546-01 196720529 tox21-ror-cho-viability-p1 set3 4 0.0343762429 8.5 3 11.5 0.8999999999 0.4136092783 0.2767775304 6.25090753 0.91133212 10.0902478 2.97826177 6.69798308 4.83520947 13.71726316 9.56251958 12.74981621 14.90766304 13.12349116 8.00719127 6.19522158 14.28596856 3.19893593 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 150-68-5 8800 144210685 A A Monuron Clc1ccc(NC(=O)N(C)C)cc1 Tox21_300367 -NCGC00259886-01 196720950 tox21-ror-cho-viability-p1 set3 4 -1.28976426 -5.78422638 -4.93347073 5.2098922 1.39470959 -0.39818848 -4.58378331 -0.95309909 -5.12910114 1.45405994 -5.08797993 -4.75312966 -5.9862839 -1.52575476 0.94447722 1.1679999999E-9 2.6109999999E-9 5.838E-9 1.305E-8 2.919E-8 6.5269999999E-8 1.459E-7 3.2629999999E-7 7.297E-7 0.0000016319999999 0.000003648 0.0000081579999999 0.000018239999999 0.000040789999999 0.000091209999999 2465-27-2 17170 144209535 B D Auramine hydrochloride Cl.CN(C)c1ccc(cc1)C(=N)c2ccc(cc2)N(C)C Tox21_202337 -NCGC00160554-02 196705068 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -10.01392832 0.5 -9.51392832 4.9549173134 0.7030386398 0.0381150826 0.09067094 0.4056152 0.64046252 0.55812238 2.18726229 1.83626122 -1.62558613 0.16961183 1.90746202 -0.51325266 0.80965704 -0.96735285 -2.63400297 0.94255058 -7.9282736 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 844-26-8 68939 170466268 F Bithionoloxide Oc1c(cc(Cl)cc1Cl)S(=O)c2cc(Cl)cc(Cl)c2O Tox21_111894_1 -NCGC00247674-01 196704675 tox21-ror-cho-viability-p1 set1 4 -2.70585232 -0.86905197 -3.94043408 0.75351531 2.0408735 -0.61844825 1.00187827 -4.16693837 -2.37846825 -2.30931895 2.26185686 -1.66785716 -1.20674936 -0.40177566 -4.84127031 1.3929999999E-9 3.115E-9 6.9659999999E-9 1.5579999999E-8 3.483E-8 7.7889999999E-8 1.7419999999E-7 3.894E-7 8.708E-7 0.000001947 0.000004354 0.000009736 0.00002177 0.000048679999999 0.00010879999999 832-92-8 71580 144206375 A A Mescaline hydrochloride Cl.COc1c(cc(cc1OC)CCN)OC Tox21_112822 -NCGC00253706-01 196705078 tox21-ror-cho-viability-p1 set1 4 2.52881798 3.53675469 2.23341856 0.0988632 -0.96063035 -4.90292313 1.23669864 -0.67045668 0.13662927 0.72914175 0.13147233 3.15586399 1.76077073 1.66740654 1.49365467 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16673-34-0 85542 170466729 A A N-(2-(4-sulfamoyl)phenyl)ethyl-5-chloro-2-methoxybenzamide COc1ccc(Cl)cc1C(=O)NCCc2ccc(cc2)S(N)(=O)=O Tox21_113826 -NCGC00015216-17 196705086 tox21-ror-cho-viability-p1 set1 4 0.0094391758 4.670890664 -5.170890664 -0.5 4.9549173134 0.3189896855 0.3515749399 -7.69593677 -2.84838639 -2.24249502 -8.17885736 2.56833758 0.57079642 -1.28688501 -0.76231353 2.83088503 0.41408179 -8.47574222 -0.59363971 -0.35102796 -1.20433891 3.57020304 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-20-2 2727 170464898 A Chlorpropamide O=S(=O)(NC(=O)NCCC)c1ccc(Cl)cc1 Tox21_110102_1 -NCGC00090780-04 196705491 tox21-ror-cho-viability-p1 set1 4 1.47743186 0.94610765 -0.04651214 0.16926704 0.65600302 1.06807502 3.18537045 3.55443943 0.13765016 1.21384025 1.89897667 3.56204928 0.55786667 2.11367527 2.98781528 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00016853-06 196705497 tox21-ror-cho-viability-p1 set1 4 0.23590192 -2.31986426 3.0203027 -0.95660198 -0.03463576 0.00261158 -1.48076584 -0.60550906 0.10445532 -1.72299147 -3.65620744 -5.15602459 2.31032198 2.16308321 -2.12147548 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 42924-53-8 4409 170464970 A Nabumetone CC(=O)CCc1ccc2cc(ccc2c1)OC Tox21_110647_1 -NCGC00259247-01 196705912 tox21-ror-cho-viability-p1 set1 4 2.79600644 3.07253302 1.99535289 -0.62894815 2.43103057 1.21189676 3.41805638 0.74644207 -1.02817831 8.66973011 2.41738706 0.47840215 0.69590724 2.29986754 -0.60000792 1.1609999999E-9 2.595E-9 5.804E-9 1.298E-8 2.9019999999E-8 6.489E-8 1.451E-7 3.244E-7 7.255E-7 0.000001622 0.0000036269999999 0.000008111 0.00001814 0.000040549999999 0.00009068 4083-64-1 77703 144208896 D 4-Methylbenzenesulfonyl isocyanate Cc1ccc(cc1)S(=O)(=O)/N=C=O Tox21_201698 -NCGC00259022-01 196705920 tox21-ror-cho-viability-p1 set1 4 6.66294389 9.16619263 7.03125962 2.48780296 3.92546265 3.88107189 1.75635955 0.28461306 5.66730339 2.37025383 3.19299039 0.53256229 0.37110731 2.48084817 -0.00015379 1.198E-9 2.679E-9 5.991E-9 1.34E-8 2.995E-8 6.698E-8 1.4979999999E-7 3.3489999999E-7 7.4889999999E-7 0.000001675 0.000003744 0.000008373 0.000018719999999 0.000041859999999 0.000093609999999 69-72-7 338 144208669 A A Salicylic acid OC(=O)c1ccccc1O Tox21_201471 -NCGC00259644-01 196706330 tox21-ror-cho-viability-p1 set1 4 -1.98282407 -1.94212957 0.1015742 1.90421818 0.16439976 -3.76930153 -0.28556664 -1.68199876 0.0188266 12.33784801 -2.5367873 1.33617671 -0.95650038 1.56200053 5.93172223 1.19E-9 2.661E-9 5.95E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003719 0.000008315 0.00001859 0.00004158 0.00009297 123-05-7 31241 144209293 D 2-Ethylhexanal CCC(CCCC)C=O Tox21_202095 -NCGC00258586-01 196730437 tox21-ror-cho-viability-p1 set3 4 -0.63357846 1.37621282 0.03437786 0.08977724 -6.19605978 -4.02018422 0.25495175 0.45404975 0.53170643 0.49430062 1.37191019 1.68876702 1.1059737 0.01746675 2.83826423 1.22E-9 2.7269999999E-9 6.098E-9 1.3639999999E-8 3.049E-8 6.818E-8 1.525E-7 3.409E-7 7.623E-7 0.000001705 0.0000038109999999 0.000008523 0.000019059999999 0.00004261 0.00009529 587-63-3 98356 144208231 A A Dihydrokavain O=C2C=C(CC(CCc1ccccc1)O2)OC Tox21_201033 -NCGC00254874-01 196698683 tox21-ror-cho-viability-p1 set1 4 61.130564862 -19.809088616 1.5 -18.309088616 3.6772481694 0.9282713605 0.0000594965 -0.05776719 2.86836763 2.06407299 1.28750298 2.1220401 0.97085416 0.14226634 1.84866501 1.07120609 1.36361327 -1.06714964 3.56518218 0.46476829 -2.12361004 -14.84090718 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-95-3 61014 144211288 A A 1,4-Dioxacycloheptadecane-5,17-dione O=C1CCCCCCCCCCCC(=O)OCCO1 Tox21_300971 -NCGC00016927-11 196698267 tox21-ror-cho-viability-p1 set1 4 0.25617689 7.09857858 0.8189899 0.46491774 0.47845817 1.75128257 -0.24760025 0.66716994 5.82088978 1.65251036 -1.60233728 5.08219769 1.59856021 6.64463526 5.96911165 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 74011-58-8 3229 170465263 A Enoxacin O=C(O)C2=CN(CC)c1nc(c(F)cc1C2=O)N3CCNCC3 Tox21_110688_1 -NCGC00254835-01 196698684 tox21-ror-cho-viability-p1 set1 4 -2.8617197 -3.16656911 -0.21138577 -1.54286058 -1.89632211 0.38223118 -3.14321931 -2.82981658 -0.63944205 -1.40645844 -0.3222047 -2.49543783 -3.03670416 1.33818723 2.40763056 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-46-9 7504 144211250 D Benzylamine NCc1ccccc1 Tox21_300933 -NCGC00254823-01 196699089 tox21-ror-cho-viability-p1 set1 4 -3.39792198 -2.36573731 -3.29648306 1.44013803 0.82607472 -2.85758068 -1.81183581 -2.89198325 1.428245 -1.25845893 -1.05089013 -1.75941464 -3.57262114 -2.40506139 -3.86080186 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 10453-86-8 5053 144211237 A A Resmethrin O=C(OCc2cc(Cc1ccccc1)oc2)C3C(/C=C(\C)C)C3(C)C Tox21_300920 -NCGC00254911-01 196699092 tox21-ror-cho-viability-p1 set1 4 -0.30614024 1.12369431 -3.53903963 -0.56106471 -0.24841608 -0.56909599 0.84019459 -3.70580565 -11.27017585 0.19531301 -0.37371097 -1.41439343 -17.13771106 -3.43610306 2.80000615 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 35575-96-3 71482 144211326 A C Azamethiphos O=P(OC)(OC)SCN1c2ncc(Cl)cc2OC1=O Tox21_301009 -NCGC00254587-01 196699098 tox21-ror-cho-viability-p1 set1 4 -1.29232881 5.45806279 -6.87138473 -3.72817398 -0.08827491 0.67369579 1.27283531 -3.41235788 -3.84797084 -0.46707786 1.21161634 1.16931209 -0.60683569 -4.71039806 -3.66070321 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 6153-64-6 54680691 144210996 D Oxytetracycline dihydrate O.O.NC(=O)C=3C(=O)[C@@]4(O)C(O)=C2C(=O)c1c(O)cccc1[C@@](C)(O)[C@H]2[C@H](O)[C@H]4[C@@H](C=3O)N(C)C Tox21_300679 -NCGC00254322-01 196699105 tox21-ror-cho-viability-p1 set1 4 0.00246892 4.69834032 0.73368692 -1.94616297 -1.92205884 -1.74622742 -2.4188113 -9.65721445 5.28332368 -3.99742963 0.24597773 -12.68073377 -5.67292132 0.90991032 -8.45536729 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-72-1 8209 144210856 A A 1-Tetradecanol CCCCCCCCCCCCCCO Tox21_300538 -NCGC00254120-01 196699515 tox21-ror-cho-viability-p1 set1 -2.4 48.5577336745 -39.018523924 2 -37.018523924 1.713743691 0.958979753 0.0000028308 2.44054632 2.70130723 5.30712759 1.99372742 0.2043945 0.31016659 3.61004925 -0.18044218 4.8388495 1.08545139 -0.27870754 -0.31529688 -5.08173472 -12.99648916 -27.93210327 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-83-0 5994 144210627 A A Progesterone CC(=O)[C@H]2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_300307 -NCGC00254454-01 196699520 tox21-ror-cho-viability-p1 set1 4 1.48484543 6.52515758 0.94766038 0.79714581 1.47361805 1.08504163 -2.79975106 -0.46622746 4.08392032 3.48597401 -2.94804028 0.01702094 3.75632823 5.28313139 9.03628429 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 579-66-8 11369 144210651 A Fc 2,6-Diethylaniline CCc1cccc(CC)c1N Tox21_300333 -NCGC00095164-04 196697877 tox21-ror-cho-viability-p1 set1 4 0.1662595 4.94967559 -0.52586085 -3.69845911 4.6202849 -0.61090928 0.89207949 -0.26915181 1.25344576 -0.0213334 0.4045422 0.82563912 1.7644286 0.52795416 0.10947487 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14222-60-7 666418 170465795 A Protionamide CCCc1cc(ccn1)C(N)=S Tox21_111463_1 -NCGC00258785-01 196724043 tox21-ror-cho-viability-p1 set3 4 61.5037543138 -20.688776176 12.5 -8.188776176 4.5044702849 0.568697434 0.1206516317 9.19028778 4.21649863 8.85159072 9.78836725 12.95409768 14.18480602 19.66091477 19.406448 13.84012193 11.15368038 10.71944548 14.78735426 10.97649259 9.54038549 -5.15731348 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 134-32-7 8640 144208431 A A 1-Naphthylamine Nc2cccc1ccccc12 Tox21_201233 -NCGC00254815-01 196713928 tox21-ror-cho-viability-p1 set2 4 0.4147896 0.27477221 -1.18199003 -0.03199699 -1.94559793 0.18369594 -1.8177593 -1.64660038 -2.29440586 0.6648194 0.14723527 0.62163023 0.12060567 -0.41099521 -3.2667579 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110488-70-5 86298 144211228 I I Dimethomorph O=C(C=C(c1ccc(Cl)cc1)c2ccc(OC)c(OC)c2)N3CCOCC3 Tox21_300911 -NCGC00254162-01 196713931 tox21-ror-cho-viability-p1 set2 4 0.56709438 -0.20353912 -0.24388216 -0.00643194 0.43248075 1.65827877 0.28505638 -0.19363168 0.36080792 2.46691998 0.75768354 5.11593196 5.85935875 3.2634987 0.09971246 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 112-70-9 8207 144210458 A Ac 1-Tridecanol CCCCCCCCCCCCCO Tox21_300138 -NCGC00254436-01 196714329 tox21-ror-cho-viability-p1 set2 4 -1.4730024 3.41635667 -0.07256642 3.80351234 -0.47153031 -1.40491585 2.30115692 3.262119 2.65748648 1.07423735 3.37783361 5.13319714 4.53039726 1.91135373 7.36097234 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-06-6 7366 144210858 FNS tert-Butylbenzene CC(C)(C)c1ccccc1 Tox21_300540 -NCGC00253993-01 196714347 tox21-ror-cho-viability-p1 set2 4 -4.14779443 -1.92211283 -0.85318289 -0.86386968 -1.13451644 -4.44605114 -6.37205854 1.26384906 -1.81205499 -5.43426152 -1.71525735 -2.12118264 0.87586723 1.36393405 -8.14859703 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 478263-98-8 24852044 144210570 A A AVE3295 [Na+].CC[C@H](NC(=O)c3cc(F)ccc3[N-]S(=O)(=O)c1cccc2cccnc12)c4ccccc4 Tox21_300250 -NCGC00254893-01 196714739 tox21-ror-cho-viability-p1 set2 4 -1.77067388 -5.31423102 -6.16263882 -1.98690756 -4.92108817 -9.06467088 -7.32123 -4.40390906 -11.49686407 -2.37890882 -4.17833337 -0.47071397 -3.39151104 -2.11498567 -0.1970164 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-12-1 7693 144211308 Ac 4-Chlorophenyl isocyanate Clc1ccc(/N=C=O)cc1 Tox21_300991 -NCGC00254150-01 196715158 tox21-ror-cho-viability-p1 set2 4 -0.42591831 0.62338858 2.15247023 0.74508783 0.88586135 2.18556118 3.01156813 0.08045618 2.49385886 3.15535959 0.92238044 3.46468397 0.68448104 2.44041726 1.9218277 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 461023-63-2 6918686 144210531 A A Aplaviroc hydrochloride Cl.O=C(O)c1ccc(cc1)Oc2ccc(cc2)CN3CCC4(CC3)C(=O)N[C@@H](C(=O)N4CCCC)[C@H](O)C5CCCCC5 Tox21_300211 -NCGC00254680-01 196715168 tox21-ror-cho-viability-p1 set2 4 1.60311385 1.30119151 3.17121817 1.77545017 1.97168941 2.02176346 0.74635009 -0.50700227 2.29716799 0.74335812 0.66080562 2.77731238 0.24580719 -0.88177983 1.43944519 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.481E-7 3.311E-7 7.4029999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 0.0002069 60-35-5 178 144211093 A A Acetamide CC(N)=O Tox21_300776 -NCGC00090780-04 196715572 tox21-ror-cho-viability-p1 set2 4 -0.17083024 -0.77647953 0.4869839 0.07745811 -0.17414275 1.5695556 0.15973213 1.01105253 -0.10207956 -2.97196177 -1.24751566 -0.85763196 -0.59807055 -4.83565838 -8.37499924 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00258672-01 196715580 tox21-ror-cho-viability-p1 set2 4 0.20867175 4.78122156 -0.35604179 1.71505179 2.22272766 5.09456321 0.12884906 5.3804144 1.61536399 3.62136683 2.39620227 0.96992225 4.08493351 3.74941882 -3.90506034 1.171E-9 2.618E-9 5.8529999999E-9 1.3089999999E-8 2.927E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.316E-7 0.0000016359999999 0.000003658 0.00000818 0.00001829 0.0000409 0.00009146 481-40-3 3083585 144208318 FNS 1,4,5-Trihydroxynaphthalene Oc1ccc(O)c2cccc(O)c12 Tox21_201120 -NCGC00260142-01 196711860 tox21-ror-cho-viability-p1 set2 -3 7.3637841633 -47.3408895231 -2 -49.3408895231 4.9549173134 0.9431993164 0.0000902842 -2.0295736 -0.79453911 -5.52430043 -2.77166953 -1.76350746 0.49683387 0.42714955 -6.20923468 -3.20461434 -0.93405859 -4.04068325 -0.25656828 -37.37946176 9.19394798 14.99640107 5.811E-10 1.299E-9 2.906E-9 6.497E-9 1.4529999999E-8 3.2489999999E-8 7.264E-8 1.6239999999E-7 3.632E-7 8.122E-7 0.000001816 0.000004061 0.00000908 0.0000203 0.0000454 10101-97-0 5284429 144209792 Nickel(II) sulfate hexahydrate O.O.O.O.[Ni+2].O.O.[O-]S([O-])(=O)=O Tox21_202594 -NCGC00260389-01 196711455 tox21-ror-cho-viability-p1 set2 4 54.759821084 26.441206824 -4.441206824 22 2.8472712143 0.5886253486 0.1051837808 1.90603346 -0.98090169 -0.24653411 -1.62187372 -0.65504321 -0.8420772 -4.67857152 -9.77272884 -4.27217808 -4.86493112 -15.78433902 -11.46834405 0 3.22877918 17.36105073 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.961E-8 6.622E-8 1.481E-7 3.311E-7 7.4029999999E-7 0.000001655 0.000003702 0.0000082769999999 0.00001851 0.00004138 0.00009254 5392-28-9 79358 144210041 F tetra-Aminopyrimidine sulfate Nc1c(N)nc(N)nc1N.O=S(=O)(O)O Tox21_202843 -NCGC00260352-01 196711456 tox21-ror-cho-viability-p1 set2 2.1 69.0781761974 240.1445939595 7.3874335172 247.5320274767 3.6272481694 0.9938881507 0 5.2852801 6.95497234 5.24595637 2.83842531 5.82363614 7.05233162 6.78165421 7.94923904 8.06932417 7.55280584 5.57797874 13.11078789 19.9379893 37.78510032 187.52426324 1.187E-9 2.654E-9 5.9329999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.4829999999E-7 3.317E-7 7.417E-7 0.0000016579999999 0.000003708 0.000008292 0.00001854 0.00004146 0.000092709999999 14897-39-3 23702994 144210004 F Rifamycin SV sodium salt [Na+].CC(=O)O[C@@H]4[C@H](C)[C@@H](OC)C=CO[C@@]3(C)Oc2c(C)c(O)c1c(O)c(cc([O-])c1c2C3=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@H]4C Tox21_202806 -NCGC00254942-01 196698862 tox21-ror-cho-viability-p1 set1 4 -0.77786292 2.3927829 0.26062432 1.90921861 0.3871336 2.56929997 -0.85154694 -0.49616924 3.0835355 1.63999937 0.95764308 -1.3592878 1.74470344 1.07513461 -2.22094326 1.015E-9 2.269E-9 5.073E-9 1.134E-8 2.536E-8 5.6719999999E-8 1.268E-7 2.836E-7 6.341E-7 0.0000014179999999 0.000003171 0.000007089 0.00001585 0.00003545 0.00007926 76578-14-8 53518 144211357 A A Quizalofop-ethyl O=C(OCC)C(C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2 Tox21_301040 -NCGC00254434-01 196698858 tox21-ror-cho-viability-p1 set1 4 1.84989731 1.46864086 1.6666794 0.52280814 0.05935248 0.91273043 1.54420811 -0.62256144 -0.81388478 2.02998972 1.67439332 2.10243277 2.81112776 2.63383726 -1.14313735 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 647-42-7 69537 144210837 A 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol FC(F)(C(F)(F)CCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300519 -NCGC00255079-01 196698859 tox21-ror-cho-viability-p1 set1 4 0.78672008 -1.03812742 -1.13270144 -0.06905415 0.12069796 0.50021669 -1.15706465 0.13098912 5.14980881 0.61097493 -1.08261066 -0.70198131 4.55974253 -0.13577615 1.15412999 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 101-05-3 7541 144211498 F F Anilazine Clc2nc(Nc1ccccc1Cl)nc(Cl)n2 Tox21_301181 -NCGC00254110-01 196698860 tox21-ror-cho-viability-p1 set1 4 -2.34995262 -1.05453924 -0.83964645 -0.2274208 -1.00575037 -3.76166594 -0.30550327 -0.58994187 0.70045885 -2.11578656 0.55969565 -0.11141982 0.42099239 -1.10804875 5.24239303 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 298198-52-4 9797360 144210561 A A SSR180711 Brc1ccc(cc1)OC(=O)N3CCN2CCC3CC2 Tox21_300241 -NCGC00254380-01 196698865 tox21-ror-cho-viability-p1 set1 -1.1 1.3685428777 -92.4087011405 2.0218309134 -90.3868702271 1.9673362061 0.9952416193 0 0.52007938 6.93855585 6.67960876 -1.25825238 0.02251314 0.57087036 -1.21970692 -3.48274 -17.35081241 -52.20986339 -75.3833004 -89.59766193 -94.15298982 -90.70173874 -86.79575333 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2155-70-6 16682828 144210727 A A Tributyltin methacrylate CCCC[Sn](CCCC)(OC(=O)C(=C)C)CCCC Tox21_300409 -NCGC00090704-03 196698872 tox21-ror-cho-viability-p1 set1 4 1.89469986 -0.45472419 -0.3586176 -4.36396423 2.67543634 3.57784245 0.3616982 -9.19543886 0.20024912 1.39390416 1.537184 0.98928366 3.29507959 -0.21675856 5.48384747 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00254208-01 196699278 tox21-ror-cho-viability-p1 set1 4 3.37165414 3.03430564 -1.13734218 -4.160694 -3.96680736 -2.29997066 -0.81958812 -1.05364388 -0.00744933 -2.25669031 -0.24385884 0.1373642 4.32033032 3.53569766 -1.94881181 1.1689999999E-9 2.6129999999E-9 5.843E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.461E-7 3.2659999999E-7 7.3029999999E-7 0.0000016329999999 0.000003652 0.0000081649999999 0.00001826 0.000040829999999 0.00009129 221246-12-4 23674746 144210524 A A Fandosentan potassium salt [K+].FC(F)(F)c5ccccc5N2C(=C(c1ccccc1S2(=O)=O)c3cc(CC)c4OCOc4c3)C([O-])=O Tox21_300204 -NCGC00254154-01 196699279 tox21-ror-cho-viability-p1 set1 4 34.3762428541 10.13284494 -1.13284494 9 0.9999999999 0.669843382 0.0541138885 0.23137816 -0.19931701 0.74498301 0.44818145 -3.44403745 -3.33458033 -0.88216358 -2.59355992 -1.3541503 -1.23476016 -0.97696459 4.4818815 0.41505368 3.90580869 7.38713957 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-51-6 244 144210364 A A Benzyl alcohol OCc1ccccc1 Tox21_300044 -NCGC00247682-01 196722559 tox21-ror-cho-viability-p1 set3 -3 77.6120746632 -41.460043634 -2.50699765 -43.967041284 4.9549173134 0.7243810166 0.02805462 -18.37341962 0 -1.87544751 -1.23398638 -5.17054547 -5.32749818 0 -4.52515506 -4.3286509 3.9850231 3.46987075 -0.13462539 -1.84681897 -0.93505082 -36.0849534 1.3079999999E-9 2.924E-9 6.5389999999E-9 1.4619999999E-8 3.269E-8 7.31E-8 1.635E-7 3.655E-7 8.173E-7 0.000001828 0.0000040869999999 0.000009138 0.00002043 0.00004569 0.0001022 55096-75-8 60196314 144206384 A A L-alpha-Acetyl-N-normethadol hydrochloride Cl.C[C@@H](NC)CC(c1ccccc1)(c2ccccc2)[C@@H](OC(C)=O)CC Tox21_112831 -NCGC00016271-05 196722540 tox21-ror-cho-viability-p1 set3 4 0.26603212 12.143834952 -3.643834952 8.5 4.9549173134 0.5976316845 0.0985594059 -9.92047297 -0.34969009 5.07570081 -10.11986246 -7.68067041 4.60546386 0.65926469 -10.0150501 9.53965822 7.41716782 8.10856308 8.79345545 6.96357639 8.39077351 9.65753462 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-97-2 6048 170465219 Z Tolazoline hydrochloride Cl.c2cc(CC1=NCCN1)ccc2 Tox21_110339_1 -NCGC00263967-02 196722550 tox21-ror-cho-viability-p1 set3 2.2 18.8336317891 37.5927515481 2.1054320519 39.6981836 0.6 0.7041683361 0.0362169888 8.12561306 -1.99547329 1.88106421 -0.28409445 2.34301929 2.05374154 4.21911296 -1.08951055 15.34658164 10.10843084 11.40822594 12.59100358 9.60186115 15.90138132 35.220204 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 121268-17-5 23681107 170465098 F Alendronate [Na+].O.O.O.OC(CCCN)(P(O)([O-])=O)P(=O)(O)O Tox21_111553_1 -NCGC00160162-04 196722558 tox21-ror-cho-viability-p1 set3 4 29.8492948118 16.4232987881 0.5767012119 17 3.5117481694 0.5475411167 0.1381026489 3.95674341 -7.85274899 1.11278834 2.79553739 -0.98652177 0 -3.97777793 -0.04151979 5.02461575 3.74105854 1.79487882 -0.20942593 -0.61732244 4.25345667 13.84364452 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 539-15-1 68313 170466820 Z Hordenine Oc1ccc(CCN(C)C)cc1 Tox21_111748_1 -NCGC00257476-01 196707170 tox21-ror-cho-viability-p1 set1 4 5.01439101 0.69270273 1.35189829 3.09840646 0.51210956 0.77732988 0.76647197 7.24497289 -0.46645297 -6.02151933 -0.31724677 3.11933884 7.53547982 4.94067263 9.23757816 1.291E-9 2.886E-9 6.453E-9 1.443E-8 3.227E-8 7.215E-8 1.613E-7 3.607E-7 8.0659999999E-7 0.000001804 0.000004033 0.000009019 0.00002017 0.00004509 0.0001008 5743-28-2 54682536 144213842 F Calcium L-ascorbate dihydrate [Ca+2].O.O.OC=1C(=O)O[C@H]([C@@H](O)CO)C=1[O-].OC[C@H](O)[C@H]1OC(=O)C(O)=C1[O-] Tox21_303536 -NCGC00259780-01 196706754 tox21-ror-cho-viability-p1 set1 4 24.2128237097 11.782314884 -6.782314884 5 0.6 0.4105852414 0.2632020461 -4.20608821 -9.1028086 -5.70852278 -6.64671734 -5.74279599 -10.65192907 -7.51523114 -0.24737361 -5.84278944 -4.45217061 -1.45519295 -9.56504489 2.6696639 -1.74291846 2.1849373 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.314E-8 2.9369999999E-8 6.568E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.000003672 0.00000821 0.000018359999999 0.000041049999999 0.00009179 103-23-1 7641 144209429 A A Di(2-ethylhexyl) adipate O=C(CCCCC(=O)OCC(CC)CCCC)OCC(CCCC)CC Tox21_202231 -NCGC00091210-02 196707161 tox21-ror-cho-viability-p1 set1 4 0.1933118196 -7.35368496 -4.82220896 -12.17589392 4.9549173134 0.6270888659 0.0788406814 -3.53450188 -6.93959689 -8.79079287 -3.92895245 -2.3518408 -5.56123791 -5.58309212 -12.91875432 -13.61029284 -12.35083007 -14.63021426 -14.36720614 -11.37211556 -4.51467979 -14.7299116 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00256885-01 196707164 tox21-ror-cho-viability-p1 set1 -1.2 13.131397024 -34.763140448 1 -33.763140448 3.9294729863 0.9434244447 0.0000164861 -2.85504756 0.87859426 1.85298794 -4.04178985 0.44268736 0.44932267 -0.07064482 7.26755867 0.56804088 4.66939317 3.32054454 0.5051775 -8.59100848 -32.30261704 -31.34310551 6.411E-10 1.4339999999E-9 3.205E-9 7.1679999999E-9 1.603E-8 3.5839999999E-8 8.014E-8 1.792E-7 4.007E-7 8.959E-7 0.000002003 0.00000448 0.000010019999999 0.0000224 0.000050079999999 123333-56-2 3078952 144213017 F F 2,4-Diaminoanisole sulfate hydrate O.Nc1cc(N)ccc1OC.O=S(=O)(O)O Tox21_302700 -NCGC00257424-01 196707562 tox21-ror-cho-viability-p1 set1 4 2.29242871 1.13463476 2.08316419 3.04528241 3.09378561 -0.60363019 8.7869585 4.49847524 1.50682028 -0.16983138 0.17150911 1.47316791 1.17034106 4.22057018 4.5126409 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 143-74-8 4766 144213875 A C Phenol red Oc1ccc(cc1)C3(OS(=O)(=O)c2ccccc23)c4ccc(O)cc4 Tox21_303570 -NCGC00256844-01 196707566 tox21-ror-cho-viability-p1 set1 4 0.98012001 0.74385274 1.86416023 2.69516442 0.09240796 0.15965371 0.85633038 11.66850745 -5.2046405 4.07614645 0.63528273 9.81340286 0.89531938 -0.10075944 6.62968467 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 122-68-9 61051 144212989 A A 3-Phenylpropyl cinnamate O=C(C=Cc1ccccc1)OCCCc2ccccc2 Tox21_302672 -NCGC00256533-01 196707567 tox21-ror-cho-viability-p1 set1 4 54.4826732819 -18.388991632 2 -16.388991632 3.9294729863 0.7264744067 0.0274851928 -1.4846968 0.07437295 0.20621053 1.25488801 1.03423899 2.08299922 2.83221912 10.01384057 4.70221408 0.4781591 0.08834836 3.02092671 1.60331679 -2.75889691 -14.49082636 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-74-8 6854 144213164 A A Carbazole c1cccc2nc3ccccc3c12 Tox21_302847 -NCGC00257290-01 196707576 tox21-ror-cho-viability-p1 set1 -1.1 0.685896219 -61.7918210768 -10.0872091649 -71.8790302417 3.9294729863 0.9863631725 5.1E-9 -11.66548216 -8.14399645 -8.364742 -11.29942066 -12.01934364 -8.04906446 -11.06172173 -13.48841267 -45.38002828 -69.62310337 -72.89101395 -77.33238259 -76.84364475 -69.88910911 -61.9764809 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4342-36-3 16682834 144213707 F A Tributyltin benzoate CCCC[Sn](OC(=O)c1ccccc1)(CCCC)CCCC Tox21_303395 -NCGC00256404-01 196708001 tox21-ror-cho-viability-p1 set1 4 5.4482673282 7.4449659081 -15.697053628 -8.2520877199 4.9549173134 0.6240591591 0.0809949046 -16.5789633 -13.00842969 -9.47113564 -18.31593709 -15.73833652 -18.49754469 -16.43022899 -14.05962469 -16.39847406 -17.16015482 -17.14906134 -6.4600731 -11.71615574 -7.95704148 -7.01384203 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 73-31-4 896 144213243 A A Melatonin CC(=O)NCCc2cnc1ccc(cc12)OC Tox21_302926 -NCGC00258682-01 196701586 tox21-ror-cho-viability-p1 set1 4 -1.28763027 4.74824575 2.53725575 5.87291632 4.15893635 -0.71176357 -0.97672912 2.70265613 1.39878726 -1.15435645 -1.73911454 1.26594855 -1.1101623 1.64328937 0.27213362 1.142E-9 2.5539999999E-9 5.7099999999E-9 1.277E-8 2.8549999999E-8 6.384E-8 1.428E-7 3.1919999999E-7 7.1379999999E-7 0.000001596 0.0000035689999999 0.000007981 0.00001785 0.000039899999999 0.00008923 2365-48-2 16907 144208328 A Ac Methyl thioglycolate O=C(OC)CS Tox21_201130 -NCGC00255838-01 196700344 tox21-ror-cho-viability-p1 set1 4 48.3602777053 -13.50208314 -0.5 -14.00208314 3.0654483358 0.7075077309 0.0352952429 -0.81770668 1.85762248 -0.94586468 -0.70375908 -3.63343594 1.86260189 -5.31020982 1.54916007 -2.99046609 -0.27176349 0.18376315 1.44182762 -0.30906405 -5.42898429 -12.50173595 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 117976-90-6 14720269 144212634 A D Rabeprazole sodium [Na+].Cc3c(OCCCOC)ccnc3CS(=O)c1[n-]c2ccccc2n1 Tox21_302317 -NCGC00244579-01 196700347 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -61.6976650067 1.8524805659 -59.8451844408 3.6772481694 0.934885157 0.0000350416 1.49653114 2.32249866 -0.65461641 5.92263645 3.03866022 7.61312774 0.45892937 1.15704159 -0.74072594 6.13104216 -0.45316133 1.93529469 -5.8514955 -5.45550529 -45.33726094 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00255620-01 196700773 tox21-ror-cho-viability-p1 set1 4 0.77107273 1.64936649 -0.01842745 1.05101536 -1.34054243 0.29533616 -4.53098871 5.0995545 0.55640353 3.60135137 3.44166573 1.0228688 1.64237737 2.42256313 3.94647374 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1123-85-9 14295 144212658 A A 2-Phenylpropan-1-ol OCC(C)c1ccccc1 Tox21_302341 -NCGC00257637-01 196701592 tox21-ror-cho-viability-p1 set1 4 0.0433211401 -20.6723552639 9.5 -11.1723552639 0.4 0.7025133186 0.0370574496 7.3765013 2.52602711 1.69408998 5.03719624 -6.54780683 5.64245043 -7.44736528 -7.72928697 -4.71450205 -3.51008511 -5.63650345 -9.33354662 -12.22696272 -11.04586044 -9.31788688 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3839999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004128 0.00009229 244-63-3 64961 144207281 A A Norharman c2cncc3nc1ccccc1c23 Tox21_200083 -NCGC00258109-01 196701604 tox21-ror-cho-viability-p1 set1 4 3.90615854 0.59479209 2.47839226 -0.34483039 0.24306178 8.62440545 7.51861064 1.36185296 1.01602576 2.77170339 1.07578617 2.71369777 5.02924059 0.62442228 3.38012575 1.118E-9 2.5E-9 5.59E-9 1.25E-8 2.795E-8 6.249E-8 1.397E-7 3.1249999999E-7 6.987E-7 0.000001562 0.000003493 0.000007812 0.000017469999999 0.00003906 0.00008734 2081-08-5 608116 144207753 A A Bisphenol E CC(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_200555 -NCGC00254393-01 196699130 tox21-ror-cho-viability-p1 set1 4 3.99181211 1.92557704 5.4068479 0.14015447 2.42133684 -1.55900839 3.83586677 -1.73455607 -1.72180652 1.42028726 3.24774899 -1.59529647 -1.12821718 -0.7485263 -3.0469367 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 528-29-0 10707 144210736 A A 1,2-Dinitrobenzene O=[N+]([O-])c1ccccc1[N+]([O-])=O Tox21_300418 -NCGC00255098-01 196698710 tox21-ror-cho-viability-p1 set1 4 -2.77859858 -0.2314346 0.05993046 -3.76245951 -4.32633878 0.11073464 -1.63530103 1.15964946 0.99392203 -2.07265908 -0.2898888 -1.48253863 1.28997607 -2.04232633 -1.92043508 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 133-53-9 8621 144211518 A A 2,4-Dichloro-3,5-dimethylphenol Cc1cc(O)c(Cl)c(C)c1Cl Tox21_301201 -NCGC00254374-01 196699112 tox21-ror-cho-viability-p1 set1 4 -0.95155836 2.49517072 0.09726073 1.38557728 -0.27680338 0.24579372 -0.36226224 0.34297383 3.12016603 1.41181587 -0.01432636 -0.72701666 3.44159476 2.8863255 4.4556791 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22915-73-7 261668 144210843 F Hexane-1,6-diyl dibenzoate O=C(OCCCCCCOC(=O)c1ccccc1)c2ccccc2 Tox21_300525 -NCGC00254012-01 196699119 tox21-ror-cho-viability-p1 set1 -2.4 17.2289340586 -20.0899725719 0 -20.0899725719 3.1319983358 0.8608972729 0.001594615 5.12976528 2.36690776 0.46825453 -3.65226872 -0.81552904 3.83917949 -1.01799868 -3.67228668 0.11565564 -5.51778155 -0.3839 -0.28917176 -12.13327043 -17.73290605 -20.49164381 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47330 9865233 144210545 A A PharmaGSID_47330 N#Cc1cccc(F)c1c2cc(ccc2F)c3cnc4nc(cnn34)C(C)(C)O Tox21_300225 -NCGC00254556-01 196699135 tox21-ror-cho-viability-p1 set1 4 0.0769588215 10.492246644 -7.992246644 2.5 0.2 0.3378559381 0.335420116 -3.56633903 -5.07564372 -5.31588049 -5.09901136 -1.93474461 -1.9475962 -0.8338564 -2.55041356 0.12222694 -7.49353887 1.77687477 -1.00548093 0.10691714 4.25589985 -2.37816789 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1081-34-1 65067 144210965 A Ac alpha-Terthiophene c1csc(c1)c2ccc(s2)c3cccs3 Tox21_300648 -NCGC00254636-01 196699136 tox21-ror-cho-viability-p1 set1 4 -0.09934084 2.39892728 3.33941598 1.93429677 0.7362639 2.56346635 -1.47038638 3.22747285 0.73379101 -2.96070306 0.55170416 0.13604115 0.23675861 -2.19709926 -2.77211791 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 333-41-5 3017 144211047 A D Diazinon Cc1cc(OP(=S)(OCC)OCC)nc(n1)C(C)C Tox21_300730 -NCGC00091044-02 196716423 tox21-ror-cho-viability-p1 set2 4 73.2952603626 -12.0515373039 -1 -13.0515373039 3.9899729863 0.7241954906 0.0292461052 -2.61789843 -0.42655266 -2.15466807 -2.66065925 -2.42514716 -1.22710501 1.75578874 -1.46855268 -0.38629924 0.963809 -0.2716291 -2.08861826 0.15481856 -2.05541696 -9.20961442 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00258659-01 196716408 tox21-ror-cho-viability-p1 set2 4 61.0062525823 -16.6338796279 3 -13.6338796279 4.0449729863 0.8563076952 0.0018842383 4.62971816 4.98646803 4.60562154 1.14708248 1.85725704 5.42671084 1.088304 2.05221569 2.5665993 3.46505995 1.73532983 2.42852895 1.03909615 0.4850521 -10.94489969 1.1779999999E-9 2.633E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.00000368 0.00000823 0.000018399999999 0.00004115 0.00009201 71-41-0 6276 144208305 A A 1-Pentanol CCCCCO Tox21_201107 -NCGC00257583-01 196716409 tox21-ror-cho-viability-p1 set2 4 0.6125491928 5.64491334 -2.64491334 3 4.0949729863 0.4669823749 0.2098712041 -0.38158008 0.07065824 -5.95409445 -1.40958256 -4.40549651 -0.34768369 -4.44438919 -2.42469612 1.31772996 0.78829071 8.97838431 0.22080971 0.24097516 0.51465459 7.77584335 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.386E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 127-91-3 14896 144207227 FNS beta-Pinene CC2(C)C1CCC(=C)C2C1 Tox21_200029 -NCGC00258202-01 196716416 tox21-ror-cho-viability-p1 set2 4 -0.43426046 -1.97463643 -2.22181351 -6.5425601 1.1062107 1.72976242 -4.00257012 -3.29844011 -2.36846934 -2.13847644 -0.59582409 -2.98923435 -2.58606342 1.72120818 -0.34094073 1.188E-9 2.657E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.641E-8 1.4849999999E-7 3.321E-7 7.425E-7 0.0000016599999999 0.000003713 0.000008302 0.00001856 0.000041509999999 0.00009282 331-39-5 2518 144207846 A A Caffeic acid Oc1ccc(C=CC(=O)O)cc1O Tox21_200648 -NCGC00258648-01 196716427 tox21-ror-cho-viability-p1 set2 4 1.66977435 2.62524362 1.60351793 1.94067708 -0.46530399 2.71310573 1.71042159 0.05592193 0.67583207 1.57844962 2.54740674 1.85694056 -0.24940199 7.08422471 0.73895001 1.144E-9 2.5579999999E-9 5.72E-9 1.2789999999E-8 2.8599999999E-8 6.395E-8 1.4299999999E-7 3.197E-7 7.1489999999E-7 0.0000015989999999 0.000003575 0.000007993 0.00001787 0.00003997 0.00008937 13360-63-9 25914 144208294 FNS N-Ethyl-N-butylamine CCNCCCC Tox21_201096 -NCGC00178944-03 196716822 tox21-ror-cho-viability-p1 set2 4 1.52623075 1.64231391 3.35769422 2.16251479 3.55792507 7.35641248 7.83425881 3.62343997 3.05998685 2.7204372 3.28303162 5.70777733 4.09385565 0.83053531 5.23035343 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69-53-4 6249 170464831 D Ampicillin OC(=O)[C@@H]2N3C(=O)[C@@H](NC(=O)[C@H](N)c1ccccc1)[C@H]3SC2(C)C Tox21_113049_1 -NCGC00021147-11 196716828 tox21-ror-cho-viability-p1 set2 4 0.19078877 2.14801038 0.6744954 4.54608498 3.48313521 6.4787876 7.54760513 3.64145922 3.46164419 0.04068578 -0.81385404 -0.75899383 2.66402651 0.06358636 0.5442189 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 562-10-7 11224 170465171 A Doxylamine succinate O=C(O)CCC(=O)O.CN(C)CCOC(C)(c1ccccn1)c2ccccc2 Tox21_113515_1 -NCGC00090760-08 196713524 tox21-ror-cho-viability-p1 set2 -3 60.7577547203 -63.2912815426 3.566066523 -59.7252150196 4.9549173134 0.9845418071 1.06E-8 3.10911644 5.12201663 3.33778183 6.02136867 5.85483 2.53226513 1.1853188 4.01641174 6.11897508 0.11622475 1.17016316 4.16722082 2.87834566 -3.77740191 -52.55969446 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00182713-01 196713123 tox21-ror-cho-viability-p1 set2 -2.4 33.4914596268 -32.2089102359 -1.5 -33.7089102359 4.5044702849 0.8494368919 0.0022976334 1.2504225 0.34567226 1.55172797 -0.03400386 -0.5606403 0.34258947 0.4255814 0.29013363 -1.20065805 -1.26707248 -4.46530319 -6.90544254 -8.35066674 -4.7933658 -28.09075853 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 267243-28-7 156414 144206912 A A Canertinib Fc1ccc(cc1Cl)Nc4ncnc3cc(OCCCN2CCOCC2)c(NC(=O)C=C)cc34 Tox21_113361 -NCGC00016598-02 196713519 tox21-ror-cho-viability-p1 set2 4 0.0421632496 -8.437045476 9 0.562954524 0.7 0.6386384766 0.0716992153 6.80475521 8.32159572 10.19630264 10.55395355 1.83721895 7.51763397 2.09939766 0.83202594 6.88025159 0.31311503 1.29999269 0.23113469 1.5698902 -0.78087123 0.56877302 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1986-47-6 2723716 170465361 A Tranylcypromine hydrochloride Cl.N[C@@H]2C[C@H]2c1ccccc1 Tox21_110514_1 -NCGC00182081-04 196713523 tox21-ror-cho-viability-p1 set2 4 4.2163249602 -21.3083997599 4.5 -16.8083997599 0.3 0.7029421627 0.0369852517 2.58515879 7.53979462 0.06877543 1.28528599 -0.8419666 -3.48122789 0.76179552 -0.72824367 -0.36689752 -0.9895869 -4.92315301 -3.57310238 -14.0069998 -9.18826819 -7.99842092 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26615-21-4 5736 170465934 A Zotepine CN(C)CCOC1=Cc3ccccc3Sc2ccc(Cl)cc12 Tox21_113135_1 -NCGC00168774-02 196713533 tox21-ror-cho-viability-p1 set2 4 2.50675098 -0.35857687 2.01975805 3.16800221 4.26861735 1.46393042 -0.88924252 0.70430777 4.20522162 1.41222528 3.8259352 -0.15136005 -1.82590277 -1.60331252 0.42497821 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 161735-79-1 3052775 170465410 A Rasagiline mesylate CS(=O)(=O)O.C#CCN[C@@H]2CCc1ccccc12 Tox21_112635_1 -NCGC00255659-01 196700538 tox21-ror-cho-viability-p1 set1 4 0.003829637 5.503821824 -2.503821824 3 4.9549173134 0.4214289658 0.2717147664 0.10263918 -5.41985152 5.39039171 3.51378365 1.40149094 5.62862395 -0.07025049 3.3389954 6.3717428 1.39959875 5.04624807 3.31123876 2.77521131 0.78302852 -1.4846498 1.173E-9 2.622E-9 5.863E-9 1.311E-8 2.9319999999E-8 6.5549999999E-8 1.466E-7 3.2779999999E-7 7.329E-7 0.0000016389999999 0.000003665 0.000008194 0.00001832 0.000040969999999 0.00009161 299-84-3 9298 144211651 F F Fenchlorphos Clc1cc(OP(=S)(OC)OC)c(Cl)cc1Cl Tox21_301334 -NCGC00255346-01 196700528 tox21-ror-cho-viability-p1 set1 4 -0.15247421 2.04546501 -0.6340461 -4.40925146 0.03440939 -1.6474094 -2.8296767 -0.30443946 3.02740219 -0.12763602 1.9919035 4.33742631 -1.48724806 -3.8848058 3.69949093 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-65-6 61571 144212116 A F N,N-Diethylcyclohexylamine CCN(CC)C1CCCCC1 Tox21_301799 -NCGC00255524-01 196700533 tox21-ror-cho-viability-p1 set1 -1.1 27.3060203028 -91.9130004654 1.8227520984 -90.090248367 4.9549173134 0.9896234305 1E-9 3.48142879 1.54285764 1.71597894 7.74472149 1.89203182 -2.69744161 -0.28304828 6.22120588 1.47281699 -0.44429992 -0.45618457 0.18374231 -9.46697751 -84.41355806 -85.80023654 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96686-51-0 2097895 144212298 A C 2-Chloro-N-(2-methyl-4-bromophenyl)acetamide Brc1cc(C)c(NC(=O)CCl)cc1 Tox21_301981 -NCGC00255968-01 196700535 tox21-ror-cho-viability-p1 set1 4 17.2289340586 4.9590699521 0.5409300479 5.5 4.9549173134 0.3846431624 0.2902588061 -4.54922496 1.74131412 0.53805646 0.74072954 0.21215171 -0.10869528 1.96163506 5.00091967 0.15060886 -4.01895443 2.86942893 -0.52417643 3.3213919 6.31042881 4.56979566 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 34451-19-9 6999977 144211634 A Ac Butyl (2S)-2-hydroxypropanoate O[C@@H](C)C(=O)OCCCC Tox21_301317 -NCGC00015693-09 196697653 tox21-ror-cho-viability-p1 set1 -2.1 23.7101376556 -84.559514397 3.9422808739 -80.6172335231 1.34431 0.9624918019 0.0000017104 2.85458208 10.08072076 8.05493421 5.53398274 2.64525748 5.44254368 3.06154374 3.29345607 1.67854219 0.21981477 1.62076623 -11.56405762 -13.64592854 -30.38051626 -61.07366176 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 70476-82-3 51082 170465183 A Mitoxantrone Cl.Cl.OCCNCCNc3ccc(NCCNCCO)c2C(=O)c1c(O)ccc(O)c1C(=O)c23 Tox21_110197_1 -NCGC00091501-06 196723392 tox21-ror-cho-viability-p1 set3 4 0.8412674301 -4.5194435879 2.5 -2.0194435879 4.9549173134 0.3660196612 0.3066678842 -2.51789134 2.23354178 2.55203644 -0.76090478 -0.40842919 5.58949559 5.22982765 3.78537511 8.67161296 0.00805763 -3.34320375 -1.147017 -3.76620299 1.61910168 -3.24432824 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 108-46-3 5054 170465462 Ac Resorcinol Oc1cccc(O)c1 Tox21_111140_1 -NCGC00091163-03 196723792 tox21-ror-cho-viability-p1 set3 4 -3.75898983 -0.22479251 0.25367453 4.82581956 3.23734238 -3.77002586 2.65339785 -3.22612151 3.50972633 4.8218243 5.29145763 -7.37658362 -1.56407674 -0.42651985 -7.85971832 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00016035-13 196697638 tox21-ror-cho-viability-p1 set1 4 1.24857803 2.04144215 -0.58813941 0.75912676 0.64000279 1.67468431 -1.87022722 0.69011941 0.217767 -2.57534321 -0.31065712 2.96703835 0.99092321 -3.15645007 3.64205877 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25332-39-2 62935 170465234 A Trazodone hydrochloride Cl.Clc1cccc(c1)N2CCN(CC2)CCCN3N=C4C=CC=CN4C3=O Tox21_110286_1 -NCGC00262539-03 196697655 tox21-ror-cho-viability-p1 set1 4 37.5780357627 9.735174668 -1.735174668 8 4.9549173134 0.4945502147 0.1866489941 -0.09835019 -3.98860854 -1.20929177 -0.97637482 -0.43787991 -0.274726 0.30642471 -4.78736812 -0.5723363 -6.44597889 -1.53530067 -0.02714439 -0.0687887 -2.42774889 6.17254138 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 315-22-0 9415 170466813 I Monocrotaline O=C1OCC3=CCN2CC[C@@H](OC(=O)[C@H](C)[C@@](C)(O)[C@@]1(C)O)[C@H]23 Tox21_112094_1 -NCGC00244580-01 196698049 tox21-ror-cho-viability-p1 set1 -2.4 48.5577336745 -39.022913868 2 -37.022913868 1.34431 0.932327279 0.0000431311 0.27762451 4.67352029 5.84442138 1.27771861 1.48995238 3.27840434 3.54422996 0.52698314 -0.44222813 -0.23682741 0.00898937 -1.76156854 -7.42880518 -11.02359032 -27.51909489 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00018186-07 196698048 tox21-ror-cho-viability-p1 set1 4 -1.84815422 0.02684923 -3.66131107 -0.38199036 0.60275458 -3.41757569 -2.72529427 -3.49290919 -3.0546633 0.38307402 -1.27037186 -1.63524043 -1.28274245 -0.83862531 -1.43507216 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1508-76-5 207841 170464805 C Procyclidine hydrochloride Cl.OC(CCN1CCCC1)(c2ccccc2)C3CCCCC3 Tox21_110508_1 -NCGC00015368-11 196698050 tox21-ror-cho-viability-p1 set1 -2.4 33.4914596268 -31.0758921959 1.5 -29.5758921959 4.9549173134 0.9107463923 0.0001823555 0.98670548 5.29467122 -0.22877423 -0.33630472 3.72671194 -0.54247528 0.58785511 5.55535519 1.27369395 0.58616804 -0.66360891 1.13491359 -0.72064995 0.68589578 -24.64657683 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77-19-0 3042 170464896 A Dicyclomine CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2 Tox21_113571_1 -NCGC00259286-01 196709654 tox21-ror-cho-viability-p1 set2 4 0.70012467 0.07828202 0.32972293 -5.17739486 0.56953576 -5.71659336 0.24026035 0.68400078 0.84507571 -0.06123367 2.66338445 1.28902134 -0.56549645 -0.03308441 0.36300093 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-02-8 6998 144208935 A A Salicylaldehyde O=Cc1ccccc1O Tox21_201737 -NCGC00259803-01 196709251 tox21-ror-cho-viability-p1 set2 4 3.74779668 1.38727136 -0.7967461 1.41982246 2.18251755 3.19987686 2.15057244 0.67021052 3.37254199 3.96352021 4.16965226 3.73487317 3.31921622 3.19110447 -0.04179053 1.1919999999E-9 2.6659999999E-9 5.9609999999E-9 1.333E-8 2.98E-8 6.664E-8 1.49E-7 3.332E-7 7.451E-7 0.0000016659999999 0.000003726 0.0000083309999999 0.00001863 0.000041649999999 0.000093139999999 88-44-8 6934 144209452 A A 2-Amino-5-methylbenzenesulfonic acid Nc1ccc(C)cc1S(O)(=O)=O Tox21_202254 -NCGC00094839-04 196725042 tox21-ror-cho-viability-p1 set3 4 0.0074978039 10 1 11 4.9549173134 0.4049185951 0.2671112685 0.22123148 0.674434 2.32831598 3.7208522 16.70955326 8.79686828 10.85198446 0 13.0295423 22.30152698 9.02761789 17.02464401 5.2378455 10.38901074 8.33289918 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1188-37-0 70914 170466605 A N-Acetyl-L-glutamic acid O=C(C)N[C@@H](CCC(=O)O)C(=O)O Tox21_112308_1 -NCGC00356940-01 196724619 tox21-ror-cho-viability-p1 set3 4 1.0590929458 7.1555267599 -3.1555267599 4 4.9549173134 0.3881788852 0.2836206055 -4.3947713 -3.53240693 -3.86792682 7.90196744 -7.14274925 -1.42958352 1.87237695 -5.472525 -11.7962723 -1.41976 3.4603208 2.86617965 4.49214488 2.52822842 6.9865897 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 101-67-7 7569 251919680 F 4,4'-Dioctyldiphenylamine CCCCCCCCc1ccc(cc1)Nc2ccc(cc2)CCCCCCCC Tox21_303750 -NCGC00357081-01 196724640 tox21-ror-cho-viability-p1 set3 4 15.3553036427 -14.6401376359 -0.5 -15.1401376359 1.713743691 0.6719235261 0.0519721571 -5.99310495 3.54803994 1.80646938 -0.77813491 -2.29540357 -7.2237485 -3.24112854 2.22650408 1.42820089 2.03922583 1.48188801 -6.83637115 -8.95929431 -10.69487446 -15.53344803 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 239110-15-7 11159021 251919721 A Fluopicolide Clc2cccc(Cl)c2C(=O)NCc1ncc(cc1Cl)C(F)(F)F Tox21_303793 -NCGC00015061-13 196725040 tox21-ror-cho-viability-p1 set3 4 -1.28221477 -11.92203739 2.35267837 8.94438521 -8.01361414 -16.02477543 -16.99103331 -12.23683399 -16.81164798 -16.47425142 -11.62717617 -14.17579739 8.59494657 -16.74700788 -10.51813649 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59277-89-3 2022 170464640 A Aciclovir NC2=Nc1c(ncn1COCCO)C(=O)N2 Tox21_110075_1 -NCGC00091886-04 196725045 tox21-ror-cho-viability-p1 set3 4 2.64589485 -0.16124955 2.22205628 -1.42124518 -1.91312076 -4.49568065 -5.77328718 2.77153467 -3.30040297 -4.71604759 0.88238004 -2.96949208 -2.97749081 -0.0225855 0.07787592 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3734-33-6 19518 170464678 F Denatonium benzoate O=C(Nc1c(C)cccc1C)C[N+](Cc2ccccc2)(CC)CC.[O-]C(=O)c1ccccc1 Tox21_110754_1 -NCGC00244579-01 196725052 tox21-ror-cho-viability-p1 set3 -3 76.9588215421 -53.127508246 4 -49.127508246 4.9549173134 0.8319325711 0.0037542151 4.33722727 -2.8222261 1.84849198 9.64482913 0 -0.18734451 6.91725122 10.91927165 2.56017898 3.24395251 4.75435212 7.7940235 -1.72576548 11.00781242 -38.8616941 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00091009-05 196725450 tox21-ror-cho-viability-p1 set3 4 4.69282417 1.82016268 -4.10368782 5.20239618 15.34605543 10.62746497 3.16904795 -6.32522741 16.73464422 -7.92288071 -6.51889472 7.8150447 -1.23325084 12.69027481 13.86881812 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00253588-01 196725471 tox21-ror-cho-viability-p1 set3 -1.1 1.0590929458 -69.829577261 6 -63.829577261 0.6 0.9702389827 4.636E-7 2.35810873 -2.57193889 11.93020742 1.97107185 2.36557318 -1.59887526 -0.93548487 -10.62281847 -21.14230442 -31.62742203 -35.47528553 -40.52265958 -43.84841029 -53.34937654 -60.81541865 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 292618-32-7 9577124 170465615 I F Gimatecan CC(C)(C)O\N=C\c1c3CN4C(=O)C=5COC(=O)[C@](O)(CC)C=5C=C4c3nc2ccccc12 Tox21_113726 -NCGC00163910-05 196725881 tox21-ror-cho-viability-p1 set3 4 0.2214879616 2.04303936 5.26179871 5.71981041 12.55582483 12.26948028 -2.37514859 12.88485481 15.04502745 -6.44099084 -0.90730485 -4.98325776 14.25861024 -3.10328901 23.25436622 30.97850687 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3383-96-8 5392 170466375 A Temephos COP(=S)(OC)Oc1ccc(cc1)Sc2ccc(cc2)OP(=S)(OC)OC Tox21_112075_1 -NCGC00177979-05 196725885 tox21-ror-cho-viability-p1 set3 2.4 33.4914596268 22.7173808 0.7826192 23.5 4.9549173134 0.707148951 0.0351018439 7.65092472 5.45411108 1.43365159 5.89691762 0.21584621 -1.00578826 -0.92766766 -1.15295527 -2.18965812 -2.264484 -0.40227213 -1.72475935 -1.95885863 2.40629889 19.71173834 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79307-93-0 54360 170465172 A Azelastine hydrochloride Cl.Clc1ccc(cc1)CC3=NN(C(=O)c2ccccc23)C4CCCN(C)CC4 Tox21_111469_1 -NCGC00255296-01 196700384 tox21-ror-cho-viability-p1 set1 -2.2 48.5577336745 -39.387261396 2 -37.387261396 2.4063783767 0.9685450407 6.372E-7 4.86368306 1.33352221 -0.34016838 2.19098855 4.80797574 0.31609863 3.62563885 2.47082451 0.82668779 0.30095118 1.28842613 1.13794502 0.46632072 -14.86913697 -30.32271783 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15791-78-3 5360487 144212204 B B C.I. Disperse Blue 27 [O-][N+](=O)c4ccc(O)c2c4C(=O)c1c(ccc(O)c1C2=O)Nc3ccc(CCO)cc3 Tox21_301887 -NCGC00255616-01 196700361 tox21-ror-cho-viability-p1 set1 4 -1.23470756 3.21524381 -0.65427747 0.96689846 -0.73918215 1.36536948 -1.2261444 1.12722819 2.04326223 3.0803406 2.61216296 1.76913149 1.46262173 3.64989332 -0.12249639 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14765-30-1 61771 144212091 A Ac 2-sec-Butylcyclohexanone CCC(C)C1CCCCC1=O Tox21_301774 -NCGC00255179-01 196700362 tox21-ror-cho-viability-p1 set1 4 -3.86260792 -10.0452652 -3.65578238 -14.0640919 -15.18066856 -0.69556832 -11.17778993 -9.52296643 -11.13097177 -5.8135925 -12.42358201 -11.65150618 -14.66364849 -10.17849787 1.86149953 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-51-3 6649 144212293 A D 4,4'-Oxybis(benzenesulfonhydrazide) O=S(=O)(NN)c2ccc(Oc1ccc(cc1)S(=O)(=O)NN)cc2 Tox21_301976 -NCGC00163774-04 196700373 tox21-ror-cho-viability-p1 set1 4 1.22770382 -0.61118904 -2.06595818 -3.59530722 -4.12162004 0.55589936 -3.62828339 -5.06449225 -0.67272731 1.85294048 0.4047584 -2.59106067 2.09068129 1.71706073 4.28923944 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00255361-01 196700385 tox21-ror-cho-viability-p1 set1 4 -2.20353991 0.15242492 0.32871948 2.50124817 0.72715095 0.14859803 2.11682751 1.56347278 1.0217478 3.84193084 1.1967008 0.33206395 0.30134594 2.75554382 7.18259145 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81405-85-8 54744 144212535 A A Imazamethabenz O=C1N=C(NC1(C)C(C)C)c2cc(C)ccc2C(=O)OC Tox21_302218 -NCGC00257540-01 196700777 tox21-ror-cho-viability-p1 set1 4 0.38798745 0.58762629 0.6269407 -0.08555425 1.99997363 0.34650629 0.83881965 -0.16168545 0.48674055 4.15478715 1.88403898 0.70268325 -0.18774066 5.4828541 4.81668494 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-96-6 4 144212021 A Ac 1-Amino-2-propanol CC(O)CN Tox21_301704 -NCGC00244579-01 196700789 tox21-ror-cho-viability-p1 set1 -2.2 61.130564862 -70.2267953949 0.732845205 -69.4939501899 3.6272481694 0.9583187743 0.0000030824 -8.29121447 0.18212166 -0.77423919 1.62286229 3.92229331 2.5155722 -0.15366461 6.2367372 -1.21248991 1.14039879 0.19865037 0.96682293 0.89237212 -13.60289702 -56.43481075 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00090750-04 196700796 tox21-ror-cho-viability-p1 set1 4 6.9427496703 -7.191301916 -0.5 -7.691301916 4.9549173134 0.7257052946 0.0280452708 -0.37916004 -0.85015404 0.1417855 -1.75433941 -0.19987301 4.17505395 -1.42949973 -0.43392442 -5.37101032 -0.56073366 0.21504156 -6.07926944 -6.96496309 -8.07608493 -8.04290883 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00255997-01 196701198 tox21-ror-cho-viability-p1 set1 4 24.3365162115 9.5568040399 -0.0568040399 9.5 4.9549173134 0.5659428973 0.1399818867 -1.3605233 -1.06190948 -1.61191085 1.65616025 -5.0473367 0.60297129 -1.79556897 2.39428833 2.48880524 3.05050782 -0.79429931 0.63819184 1.92537517 8.94551181 3.28134472 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 578-54-1 11357 144211693 A Fns 2-Ethylaniline CCc1ccccc1N Tox21_301376 -NCGC00255454-01 196701207 tox21-ror-cho-viability-p1 set1 4 0.0611305649 -6.0210376959 2.5 -3.5210376959 4.9549173134 0.4228656445 0.268256989 0.24494579 2.56842265 3.21329674 1.93022185 3.61108986 -0.89031045 -4.20339324 -2.85245797 -11.68419808 -4.72948934 1.04010587 1.08925586 -5.25390303 -0.04190641 0.13278482 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24017-47-8 32184 144211895 A A Triazophos CCOP(=S)(OCC)Oc1ncn(n1)c2ccccc2 Tox21_301578 -NCGC00258653-01 196701609 tox21-ror-cho-viability-p1 set1 4 -0.35419159 0.38328306 -0.33997219 1.49141508 1.31035441 3.27070356 0.94657992 1.44520363 -0.99743582 0.38111586 -0.59013195 -0.21728688 5.66519587 1.40421932 0.14835926 1.172E-9 2.621E-9 5.8609999999E-9 1.311E-8 2.931E-8 6.553E-8 1.465E-7 3.277E-7 7.327E-7 0.0000016379999999 0.0000036629999999 0.000008192 0.00001832 0.00004096 0.00009159 21285-46-1 18603 144208299 A (2E)-2,3-Dibromo-2-butene-1,4-diol BrC(CO)=C(Br)CO Tox21_201101 -NCGC00091210-02 196702894 tox21-ror-cho-viability-p1 set1 4 1.9331181962 -5.8056469239 2 -3.8056469239 4.9549173134 0.5443479621 0.1413081681 0.58878654 0.00037817 -0.35671015 1.83372729 0.83775731 0.77220033 8.05637564 6.59008997 0.95448418 0.64643537 -7.75470577 -2.58957685 -2.41429409 -1.91361289 -5.14999177 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00091284-03 196715181 tox21-ror-cho-viability-p1 set2 4 0.98374035 1.23670814 -0.65209874 3.39067241 -1.70553505 1.21263077 -1.60720084 3.65535872 -0.94301865 1.07524962 -0.63964642 -1.05559426 1.59828065 -1.17035723 -1.24676425 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00254110-01 196714780 tox21-ror-cho-viability-p1 set2 1.1 19.3311819617 65.0157771253 0.897274849 65.9130519743 1.6604358099 0.9924942211 2E-10 -1.87290683 0.55166717 1.02775253 0.20538653 0.84421722 -0.11214683 0.42889173 1.21626605 5.28587069 5.11769979 3.71129303 11.52246128 32.80315024 51.01207721 61.67946272 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 298198-52-4 9797360 144210561 A A SSR180711 Brc1ccc(cc1)OC(=O)N3CCN2CCC3CC2 Tox21_300241 -NCGC00254902-01 196714783 tox21-ror-cho-viability-p1 set2 4 -1.84833928 -4.10029915 -4.53943584 1.35216606 1.98723226 -1.65341088 -3.01333452 -7.30231348 -5.43624516 -5.99240229 -3.15853522 -4.17267723 -1.90661808 -0.90811348 0.28296022 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10043-35-3 7628 144211317 A Boric acid OB(O)O Tox21_301000 -NCGC00091011-05 196714789 tox21-ror-cho-viability-p1 set2 2.1 30.6378586933 102.8583469198 0.6553874053 103.5137343251 3.0654483358 0.9946883015 0 0.07732618 0.82203485 0.43626283 -3.38648917 0.35813671 1.73728948 -1.33650698 1.86962842 -0.12686872 0.55640245 1.70221782 8.0680368 15.20430607 75.68214367 101.48405326 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00254296-01 196715185 tox21-ror-cho-viability-p1 set2 4 -1.62509497 -2.96428459 1.29573814 -1.39828409 -1.20896775 -3.61003643 -9.23192491 -3.3313453 -0.26489983 -6.94675906 -2.57333352 0.02454077 -3.01022603 -2.93941077 -1.13597668 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-38-9 5634 144210701 A A 10-Undecenoic acid O=C(O)CCCCCCCCC=C Tox21_300383 -NCGC00254149-01 196715192 tox21-ror-cho-viability-p1 set2 4 0.15132604 -0.16647881 0.85262751 0.18189404 0.19710366 2.1952988 1.56130683 0.4616211 2.48860079 2.20659402 -0.37855547 4.12761165 4.73455407 3.62689796 3.88613764 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-16-3 6582 144210512 A A N-Methylacetamide CC(=O)NC Tox21_300192 -NCGC00091426-02 196715197 tox21-ror-cho-viability-p1 set2 4 1.27897308 -1.11741727 0.16923917 -1.10759785 -4.61485385 -1.61291911 -5.44471232 -2.06748749 -5.15314576 -2.91432447 -2.06280101 -5.2291102 -6.12691544 1.33686703 -0.36818106 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00254433-01 196715203 tox21-ror-cho-viability-p1 set2 4 -1.6567078 3.73508382 -0.48842943 -1.32734353 2.30394536 0.9772995 2.90884577 3.99667766 0.18344262 0.68505371 -1.4149418 -1.0801203 4.18851505 -0.14601592 3.63593688 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-66-7 31222 144210810 C 1,2-Diphenylhydrazine N(Nc1ccccc1)c2ccccc2 Tox21_300492 -NCGC00255787-01 196711053 tox21-ror-cho-viability-p1 set2 4 -6.16511112 -1.47184208 -4.37097793 -3.48299402 -0.94447807 -1.7854542 -2.53680253 -5.59312286 -2.18407562 -3.79149394 -2.23348747 -2.38210007 -0.4675701 0.29875012 0.39935579 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1335-66-6 101150 144212180 F F Isocyclocitral CC1CC(C)=CC(C)C1C=O Tox21_301863 -NCGC00256022-01 196710641 tox21-ror-cho-viability-p1 set2 4 34.3762428541 10.6124809439 -1.6124809439 9 1.692447691 0.6271345656 0.0793669916 -7.59373412 -0.10822198 -3.3529844 -4.87166003 -0.08784665 -0.05178618 -1.14237887 0.43990833 0.60906265 -1.10664928 -1.47084835 -0.70850746 1.13880201 4.53832512 7.63586272 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3698-94-0 77288 144212210 A Fns Ethyl octyl sulfide CCCCCCCCSCC Tox21_301893 -NCGC00255390-01 196710646 tox21-ror-cho-viability-p1 set2 4 61.130564862 10.4658533399 -1.4658533399 9 4.9549173134 0.7590934576 0.017407467 0.97155796 -3.18672525 -1.53685998 -0.66769869 -2.77538315 -0.02776829 0.22157463 -1.23529358 -3.72154445 -2.43168341 -1.2638199 -3.61874016 -1.95976566 -0.07628111 7.90437968 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13472-08-7 93079 144211731 A F 2,2'-Azobis(2-methylbutanenitrile) CC(CC)(/N=N/C(C)(CC)C#N)C#N Tox21_301414 -NCGC00255156-01 196710652 tox21-ror-cho-viability-p1 set2 4 -5.31467102 -6.40399299 2.87748196 2.15869711 -1.16479855 -1.42943108 -5.53264951 -6.54486912 -5.28678523 2.58696077 -5.12327851 1.4558576 -5.76248481 2.22917244 -5.24239476 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-58-9 31352 144211923 F A Dipentaerythritol OCC(COCC(CO)(CO)CO)(CO)CO Tox21_301606 -NCGC00255309-01 196711066 tox21-ror-cho-viability-p1 set2 4 24.3365162115 -10.8585856999 1 -9.8585856999 2.3531167061 0.6153424642 0.101519712 5.15069207 -1.04731951 1.5729781 -1.26232814 -1.73497704 1.58349818 0.99378122 3.30999589 -0.28033836 0.14410172 2.42233736 -0.69470368 -2.71843514 -7.38215475 -1.06005067 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1689-83-4 15530 144211647 A A Ioxynil Ic1cc(C#N)cc(I)c1O Tox21_301330 -NCGC00254857-01 196699316 tox21-ror-cho-viability-p1 set1 4 54.4826732819 -21.935689336 -1 -22.935689336 3.5117481694 0.7054996132 0.0357996975 -0.3526995 -6.33115125 -5.57458284 -0.44933332 2.21849769 0.05864109 3.98461296 -1.31053519 0.14635113 -8.10079752 0.88992772 -0.15810295 0.14863132 -7.13271261 -19.94640778 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 62924-70-3 62210 144211272 A A Flumetralin Clc2cccc(F)c2CN(CC)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Tox21_300955 -NCGC00254336-01 196699306 tox21-ror-cho-viability-p1 set1 4 30.6378586933 -12.263357344 1.5 -10.763357344 1.4641 0.5025324295 0.1953126721 1.13480592 2.85469809 1.23066088 0.16154219 3.10300377 -0.39081522 4.3195401 -0.52427344 3.29603802 2.97934193 -3.86213777 -0.84145262 1.16326091 -8.13613112 3.35452709 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-82-1 13 144210880 AC Ac 1,2,4-Trichlorobenzene Clc1cc(Cl)c(Cl)cc1 Tox21_300563 -NCGC00163953-03 196699308 tox21-ror-cho-viability-p1 set1 4 81.5991373871 -15.5421830359 -1.5 -17.0421830359 3.9899729863 0.666317219 0.0556498241 -1.77194031 -2.90659737 -2.6399166 -1.9481506 -3.75902146 -2.11663046 2.70642513 1.25527491 -3.40810569 1.52292267 0.05785365 -1.02139549 -4.22449122 -2.06284099 -12.53515253 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00254779-01 196699310 tox21-ror-cho-viability-p1 set1 4 -0.18119526 -2.04140234 2.24932859 -0.42015196 -0.48650681 2.64058924 4.649614 3.58686556 2.93489072 3.24907177 0.1635935 0.37846405 0.28717803 0.18931318 10.17978923 1.309E-9 2.927E-9 6.5449999999E-9 1.463E-8 3.272E-8 7.317E-8 1.6359999999E-7 3.658E-7 8.181E-7 0.000001829 0.00000409 0.000009146 0.00002045 0.00004573 0.00010229999999 695-06-7 12756 144211192 A Ac gamma-Caprolactone O=C1CCC(CC)O1 Tox21_300875 -NCGC00254228-01 196699715 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -21.943742256 -2 -23.943742256 1.0999999999 0.5841265679 0.1091385084 -3.28791211 -2.3364599 -0.01254097 -2.6310846 -1.84374186 -3.71639547 0.25369292 -3.94871105 0.10164225 -2.41262218 -3.29674684 -5.75567196 -10.1365321 -1.0991276 -18.28645188 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 145742-28-5 9821217 144210525 A A CP-122721 FC(F)(F)Oc3cc(CN[C@H]1CCCN[C@H]1c2ccccc2)c(OC)cc3 Tox21_300205 -NCGC00178319-06 196722583 tox21-ror-cho-viability-p1 set3 4 0.2113168243 -5.708574664 -1 -6.708574664 4.9549173134 0.3485655876 0.3377355994 -0.45813782 -4.44658328 -4.62975426 -0.73341666 -1.39572869 4.52470036 0.50055791 -0.38899309 -12.67381222 -12.09188238 -2.05382104 1.29282683 -8.02737544 -7.86922507 6.18302071 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15318-45-3 27200 170465845 A Thiamphenicol O=S(C)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_110577_1 -NCGC00015089-17 196722577 tox21-ror-cho-viability-p1 set3 1.2 0.4730794415 22.548129068 -11.548129068 11 2.2526478767 0.7992053313 0.0080744857 -4.72777074 -1.63631146 -12.72692839 -9.78676303 -15.98640375 -15.98938878 -13.98624319 -18.37344089 -2.02369081 8.19382878 7.83229225 7.70320052 5.75131394 11.17351099 19.81983487 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2609-46-3 16231 170465124 A Amiloride hydrochloride Clc1nc(C(=O)NC(=N)N)c(N)nc1N Tox21_110080_1 -NCGC00164516-02 196722579 tox21-ror-cho-viability-p1 set3 4 33.4914596268 13.9378322639 -0.9378322639 13 4.9549173134 0.6543203912 0.0622509584 0 0.62166091 -1.09694063 -0.6622593 -0.04886637 0.52631118 1.11001777 -2.90386931 1.4993303 -2.04297592 -0.92411241 -1.89115377 -7.86486022 -1.400417 11.26210419 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87940-60-1 65659 170466331 C Eprobemide Clc1ccc(cc1)C(=O)NCCCN2CCOCC2 Tox21_112151_1 -NCGC00018113-07 196722582 tox21-ror-cho-viability-p1 set3 4 0.1496008549 -26.9596851279 15 -11.9596851279 0.2 0.5507713134 0.1349890366 7.29705382 5.30118772 8.95411821 10.503477 0.46944439 7.59536698 1.5720548 -3.33857791 -6.30562269 0.52765674 4.7953522 -0.52880364 -4.19426095 -0.7097821 -11.63307094 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1716-12-7 5258 170465108 Fc Sodium 4-phenylbutyrate [Na+].[O-]C(=O)CCCc1ccccc1 Tox21_110826_1 -NCGC00090827-04 196722983 tox21-ror-cho-viability-p1 set3 4 -1.51847755 -3.45838202 -5.00523334 1.58351861 -0.19085625 -0.76892335 0.46888949 0.14889057 -0.81667657 0.36147373 -5.0304995 -3.3767571 -6.09479834 0.99548205 0.48190842 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00179594-03 196722989 tox21-ror-cho-viability-p1 set3 2.4 23.7101376556 38.2221530839 -2.2221530839 36 1.692447691 0.9470081246 0.0000115896 -3.99252531 -5.18512757 0.86480248 -4.1648911 -5.15322731 0.13246387 -0.62484294 -0.56278258 0.47959762 -1.79019172 -3.02198102 -0.11575507 4.12585008 14.0516119 27.21708174 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66309-69-1 20848883 170465103 A Cefotiam hydrochloride Cl.Nc1scc(n1)CC(=O)N[C@@H]4C(=O)N3C(=C(CSc2nnnn2CCN(C)C)CS[C@@H]34)C(=O)O Tox21_110730_1 -NCGC00256902-01 196727535 tox21-ror-cho-viability-p1 set3 4 5.92269423 2.53686895 4.13801693 -1.55623961 -2.93508399 2.24256452 0.15887133 2.52990162 1.75556817 2.88555716 -1.08055776 6.365623 1.28874757 1.4083496 2.24207492 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 2270-60-2 61290 144212966 Ac F Methyl citronellate O=C(CC(C)CC\C=C(/C)C)OC Tox21_302649 -NCGC00091253-05 196726722 tox21-ror-cho-viability-p1 set3 4 -0.98517015 0.1828893 0.99351962 2.87641836 1.43406342 3.542119 -1.89834089 3.76234213 3.76800062 1.16935538 0.47030668 -1.89490654 1.02078256 -2.07399285 -3.7160682 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.000001608 0.000003595 0.000008038 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00256634-01 196727115 tox21-ror-cho-viability-p1 set3 4 -4.0049839 -1.61043626 -0.46678491 -2.91560507 -1.30445994 -3.03518494 -1.79247052 -5.83690551 0.34370217 -26.9832312 -1.86728422 0.89256923 -3.63371333 1.79382902 -1.14764578 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1679-51-2 15512 144212954 A A Cyclohex-3-en-1-ylmethanol OCC1CC=CCC1 Tox21_302637 -NCGC00255565-01 196727132 tox21-ror-cho-viability-p1 set3 4 5.85977261 2.79132985 2.03285828 3.35336125 -2.27056819 -0.36113794 0.75204668 -2.02163253 0.88886089 2.28320923 2.12286454 1.61876738 2.94038412 1.67356091 -3.4353659 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-68-2 41690 144212196 A Ac 4-Cyclohexylcyclohexanone O=C1CCC(CC1)C2CCCCC2 Tox21_301879 -NCGC00256958-01 196727538 tox21-ror-cho-viability-p1 set3 4 -0.04920954 -0.99349729 -2.04742595 -0.1601476 -1.65688201 -1.95810182 -1.55199106 1.27291797 -0.34382636 0 -0.28084428 -4.06427388 -1.85655568 -2.1919499 1.24625877 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-42-9 7932 144213516 A A 3-Chloroaniline Nc1cc(Cl)ccc1 Tox21_303199 -NCGC00090704-03 196727539 tox21-ror-cho-viability-p1 set3 4 0.69869116 0.54034354 0.05406904 0.6063272 0.43112727 0.80742119 1.99016848 0.02191637 -0.10589891 1.03225684 0.60069095 -0.71673938 1.54168742 1.61469326 2.43795837 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00256333-01 196727542 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -10.9298069639 -1 -11.9298069639 4.9549173134 0.4663519115 0.2122153591 -1.02606053 -0.14956201 -4.09484864 -1.5764936 -0.74657032 -2.6476464 1.51512682 0.76705309 2.66237163 -0.3095 -1.4174305 -4.5651445 -4.44231904 0.96540025 -9.10817247 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 137-09-7 8715 144213334 Ac Fns 2,4-Diaminophenol dihydrochloride Cl.Cl.Nc1ccc(O)c(N)c1 Tox21_303017 -NCGC00090962-05 196704549 tox21-ror-cho-viability-p1 set1 4 68.1713220381 -18.881265992 -1 -19.881265992 4.9549173134 0.5343972238 0.1488535637 1.33362968 1.3713269 -5.99317603 -2.05321248 -2.89185326 0 -0.48084889 1.83294197 -1.9200924 1.43864594 1.39945597 -11.27207774 0.91800804 1.65131544 -16.56772166 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00257873-01 196702447 tox21-ror-cho-viability-p1 set1 4 -2.37312854 2.91357046 0.00986665 -0.40215582 10.7649739 0.05868904 1.24624776 1.67890488 -4.98520442 -1.59960192 -6.6827276 11.31448652 0.25506239 -5.37742554 -7.25036748 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.0000016459999999 0.00000368 0.000008228 0.000018399999999 0.000041139999999 0.000091989999999 4938-72-1 21058 144207517 A A Isobutyl (2,4,5-trichlorophenoxy)acetate Clc1cc(OCC(=O)OCC(C)C)c(Cl)cc1Cl Tox21_200319 -NCGC00258009-01 196702453 tox21-ror-cho-viability-p1 set1 4 -0.54029729 0.56797046 -0.8556192 0.48336757 -9.37167301 0.10396753 2.1914747 -0.13040213 3.46796518 -0.90821738 2.24914428 2.61848933 -1.36299969 0.93395474 0.51780762 1.208E-9 2.7009999999E-9 6.04E-9 1.3509999999E-8 3.02E-8 6.753E-8 1.51E-7 3.3769999999E-7 7.551E-7 0.0000016879999999 0.000003775 0.000008442 0.00001888 0.00004221 0.000094379999999 1779-48-2 6327116 144207653 A A Phenylphosphinic acid O=P(O)c1ccccc1 Tox21_200455 -NCGC00258388-01 196702454 tox21-ror-cho-viability-p1 set1 4 2.83926095 0.06931683 4.13590157 5.37212137 -6.05687124 0.1259723 0.41174711 0.31444273 6.7614801 0.95511373 2.56049872 -2.96747175 0.21764999 -1.95671154 -5.31670974 1.173E-9 2.622E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.3299999999E-7 0.0000016389999999 0.000003665 0.000008195 0.00001832 0.000040969999999 0.00009162 142-83-6 637564 144208032 FNS (2E,4E)-2,4-Hexadienal C\C=C\C=C\C=O Tox21_200834 -NCGC00260358-01 196704140 tox21-ror-cho-viability-p1 set1 4 2.28727604 -2.27814628 1.10455052 2.65210982 0.37713287 -1.28736877 3.44013693 4.51605653 -2.01048638 3.29919659 1.7976399 4.7165864 1.42307481 1.9216658 4.49971404 1.219E-9 2.7269999999E-9 6.097E-9 1.3629999999E-8 3.049E-8 6.817E-8 1.524E-7 3.408E-7 7.621E-7 0.000001704 0.0000038109999999 0.000008521 0.00001905 0.0000426 0.000095269999999 2009-83-8 74828 144210010 A A 6-Chlorohexan-1-ol ClCCCCCCO Tox21_202812 -NCGC00181795-02 196704150 tox21-ror-cho-viability-p1 set1 4 5.97775286 2.66017392 0.87061144 1.46376386 2.55042921 1.00417286 2.17248278 -0.9603989 3.36517474 1.43301967 1.54252343 0.28772142 1.8135981 0.20463582 2.90795294 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 220991-20-8 151166 170465597 A Lumiracoxib Clc2cccc(F)c2Nc1ccc(C)cc1CC(=O)O Tox21_113566_1 -NCGC00178555-02 196704547 tox21-ror-cho-viability-p1 set1 4 -2.29197068 1.29753832 0.83013566 1.34133968 -2.01508634 -1.49510561 0.40080535 -1.87558614 -0.02596456 -0.48657796 0.70233462 -2.47361209 1.1496592 -1.41639267 2.17301594 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 219861-08-2 146571 170465453 A Escitalopram oxalate O=C(O)C(=O)O.CN(C)CCC[C@]2(OCc1cc(ccc12)C#N)c3ccc(F)cc3 Tox21_111535_1 -NCGC00018218-10 196704552 tox21-ror-cho-viability-p1 set1 4 0.82071503 -4.41020882 1.35753856 1.15769021 0.52543789 5.03963204 -4.2115056 1.1980642 3.58372147 0.50533949 2.10353427 0.49299493 1.40631574 4.54952096 0.03552225 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 89-25-8 4021 170465935 A Edaravone O=C2CC(C)=NN2c1ccccc1 Tox21_112077_1 -NCGC00167525-02 196704553 tox21-ror-cho-viability-p1 set1 4 0.23160033 -2.57934505 1.96264059 -0.25710413 -1.28271496 1.8339054 -2.73478872 6.35896646 0.25910001 -2.35614733 -7.18436523 1.91123191 0.88529409 0.69396795 -0.44123553 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118292-40-3 5381 170464671 A Tazarotene O=C(OCC)c1ccc(nc1)C#Cc2ccc3SCCC(C)(C)c3c2 Tox21_112522_1 -NCGC00263567-01 196704563 tox21-ror-cho-viability-p1 set1 1.4 0.003349146 19.338618848 -18.338618848 1 0.5 0.8808884503 0.0007692033 -14.44884904 -11.72731397 -6.28621547 -6.87128548 -7.23359375 -1.14050008 -1.48000924 -1.85246244 -2.96417013 -2.84140462 0.46095361 1.93774449 0.51602283 1.43023588 3.19755418 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83881-52-1 55182 170465442 A Cetirizine dihydrochloride Cl.Cl.O=C(O)COCCN1CCN(CC1)C(c2ccc(Cl)cc2)c3ccccc3 Tox21_110704_1 -NCGC00015714-16 196704569 tox21-ror-cho-viability-p1 set1 4 -3.62892925 -2.19580144 -2.84029686 -1.96425729 0.12367943 -0.33868394 0.28743154 -0.00806801 -2.14592305 -3.2973825 -2.91608045 -3.1335906 -7.8592501 1.17186528 -1.94901594 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66085-59-4 4497 170466561 A Nimodipine CC=1NC(C)=C(C(C=1C(=O)OC(C)C)c2cccc(c2)[N+]([O-])=O)C(=O)OCCOC Tox21_110202_1 -NCGC00160553-03 196704570 tox21-ror-cho-viability-p1 set1 4 29.8492948118 -16.7165571679 -2 -18.7165571679 2.7202212143 0.5336530206 0.1498341182 -2.83683919 -7.7977865 -6.06904847 -2.57403197 0.45011293 -5.21929839 -2.60438515 -2.38266337 -2.07507794 3.50971384 -2.0143412 4.25236161 -3.35653433 -6.68886085 -14.76379764 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82-66-6 6719 170466609 F Diphacinone O=C2c1ccccc1C(=O)C2C(=O)C(c3ccccc3)c4ccccc4 Tox21_111893_1 -NCGC00167522-02 196705380 tox21-ror-cho-viability-p1 set1 4 -1.11441661 -2.16999456 5.78594083 -4.42198076 -1.17004152 0.12129881 0.5063761 -0.83225389 4.17166764 0.00284004 -4.5038639 2.51473426 -0.70995161 -0.08800877 5.8060103 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 32266-10-7 325003 170465755 Z Hexoprenaline sulfate Oc1ccc(cc1O)C(O)CNCCCCCCNCC(O)c2ccc(O)c(O)c2.O=S(=O)(O)O Tox21_112519_1 -NCGC00166141-06 196705391 tox21-ror-cho-viability-p1 set1 4 -1.22868084 0.47758508 -1.88758157 -5.17145607 0.31851457 0.00487266 0.68953182 -2.20336355 -1.65909571 -4.47972767 -1.84193686 0.35205481 -0.18904505 1.70373073 0.92666932 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3505-38-2 5282409 170465237 A Carbinoxamine maleate O=C(O)/C=C\C(=O)O.Clc1ccc(cc1)C(OCCN(C)C)c2ccccn2 Tox21_112336_1 -NCGC00357286-01 196712300 tox21-ror-cho-viability-p1 set2 -1.1 27.3060203028 -82.9120614678 -6.042776538 -88.9548380058 4.9549173134 0.9016604198 0.0002955961 2.70110068 -0.57422022 -3.41360334 -0.96238872 -3.23571307 -9.59151688 -16.72338228 -19.13934091 -17.86717976 -16.8339168 0 0 0 -87.7266647 -83.39720871 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3064-70-8 62478 251919706 Bis(trichloromethyl)sulfone ClC(Cl)(Cl)S(=O)(=O)C(Cl)(Cl)Cl Tox21_303827 -NCGC00257632-01 196716444 tox21-ror-cho-viability-p1 set2 4 0.18094331 -3.34762521 -3.40258362 -0.55590577 -3.81335524 0.22044209 -3.50579371 -1.83276041 -0.86568108 1.33719702 -2.0490751 -2.08775827 0.69782942 0.63076972 -2.07891724 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 0.000091709999999 90-51-7 7022 144207276 A C 6-Amino-4-hydroxynaphthalene-2-sulfonic acid O=S(=O)(O)c1cc(O)c2cc(N)ccc2c1 Tox21_200078 -NCGC00163815-04 196712716 tox21-ror-cho-viability-p1 set2 -2.2 61.130564862 -58.7388519551 -0.60687375 -59.3457257051 2.5884283767 0.9879356793 2.5E-9 0.89885781 -1.28973361 -0.17306355 -0.63328443 1.10985439 -1.40743497 0.52763448 0.67141576 -0.78165043 -0.04865136 -2.70489759 -2.54428339 -5.45259106 -15.11134413 -44.95888311 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00357023-01 196712310 tox21-ror-cho-viability-p1 set2 4 -0.8049921 -1.07171657 0.24109095 -0.45552329 -2.91489057 -0.80017238 -0.95298709 0.45432054 -3.57796238 0.87037094 -1.45673807 3.13798279 -2.91013633 0 -1.78890355 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 16356-11-9 61832 251919817 Fns 1,3,5-Undecatriene C=CC=CC=CCCCCC Tox21_303704 -NCGC00260266-01 196712317 tox21-ror-cho-viability-p1 set2 -2.4 84.9295759549 -30.6375732 -2.650917508 -33.288490708 0.8999999999 0.7058291451 0.0356257655 -0.12576459 -0.39607773 -1.72193778 -1.51209498 -1.93051195 -3.05624997 -7.23693943 -7.8650426 -0.18378265 -10.58854083 -3.16675743 -3.82579387 -7.11276833 -10.74786171 -24.40707559 1.281E-9 2.865E-9 6.406E-9 1.4319999999E-8 3.203E-8 7.162E-8 1.602E-7 3.5809999999E-7 8.0079999999E-7 0.0000017909999999 0.0000040039999999 0.0000089529999999 0.000020019999999 0.00004476 0.0001001 111-24-0 8100 144209916 F Bc Pentane,1,5-dibromo- BrCCCCCBr Tox21_202718 -NCGC00016000-13 196712719 tox21-ror-cho-viability-p1 set2 -2.1 70.1970324498 -100.541135031 -5.104567659 -105.64570269 1.0999999999 0.8117370568 0.0061414556 -2.56762192 -0.83363504 -4.05172208 -0.09191394 -3.50117849 -0.42665522 -0.75647594 -9.7772246 -12.61812951 -18.56712911 -20.13794215 -16.0166932 -18.59108638 -23.69572759 -80.03462325 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00166142-04 196712726 tox21-ror-cho-viability-p1 set2 4 3.41931539 -0.81118328 3.9940069 5.62638132 -0.59775554 0.62043084 -0.57936271 -0.48394516 -0.46743793 -0.53007003 -0.06498028 -0.1246479 -0.58659603 0.50602083 -0.36366277 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 537-12-2 10830 170465536 A Diperodon hydrochloride Cl.O=C(Nc1ccccc1)OCC(OC(=O)Nc2ccccc2)CN3CCCCC3 Tox21_110460_1 -NCGC00015897-08 196712735 tox21-ror-cho-viability-p1 set2 4 0.0668242473 3.2290203559 -2.2290203559 1 2.5884283767 0.3846358 0.292134859 -0.41628802 0.7959389 -2.7365952 -2.80904053 -7.27418363 -0.08589495 -0.81489362 0.52214522 1.25539359 0.79952733 -0.42821863 0.7548578 0.863615 0.06596254 4.35770898 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 95635-55-5 56959 170465435 A Ranolazine OC(CN1CCN(CC1)CC(=O)Nc2c(C)cccc2C)COc3ccccc3OC Tox21_110258_1 -NCGC00016507-05 196713127 tox21-ror-cho-viability-p1 set2 -2.2 29.8492948118 -77.3691091731 1.8366607839 -75.5324483892 2.2481167061 0.9724765413 2.974E-7 4.04072812 4.96539628 0.37608548 6.04523251 5.62480575 0.05887354 -0.73278907 0.399851 2.04756384 -0.19867535 1.08499332 -0.60642522 -7.4718519 -19.31423447 -57.22155181 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 553-08-2 11102 170465335 A Thonzonium bromide [Br-].COc1ccc(cc1)CN(CC[N+](C)(C)CCCCCCCCCCCCCCCC)c2ncccn2 Tox21_110463_1 -NCGC00164539-02 196713130 tox21-ror-cho-viability-p1 set2 4 3.03527026 4.36896415 0.52577631 -0.10091862 -3.77510884 -1.34322484 -1.69201676 -2.99308814 2.8119017 -0.36320095 1.11005517 -0.38188546 1.39493701 1.92459778 -1.55464957 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 49864-70-2 39526 170466407 A Azaclorzine Clc1cc2N(c3ccccc3Sc2cc1)C(=O)CCN4CC5CCCN5CC4 Tox21_112168_1 -NCGC00091499-05 196713560 tox21-ror-cho-viability-p1 set2 4 -1.98153446 5.07508583 0.54942312 1.82249586 0.61424407 1.69632394 0.01355689 0.92747134 1.36167286 0.87738451 4.42130768 1.20085281 4.92349899 -1.91004467 0.98977001 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00254266-01 196713962 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -73.9352021596 -3.460331964 -77.3955341236 4.9549173134 0.9209015861 0.0000973787 0.40051478 -1.84115432 -0.38494265 0.10631422 -1.46228514 -3.38251508 -12.05797349 -1.55350801 -11.29785092 -3.69376081 -10.29464585 -6.13247908 0.06492936 -2.78716528 -64.20280486 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-74-9 60196414 144210903 F Chlordane ClC2=C(Cl)C3(Cl)[C@H]1CC(Cl)[C@H](Cl)[C@H]1[C@@]2(Cl)[C@]3(Cl)Cl Tox21_300586 -NCGC00091088-05 196700565 tox21-ror-cho-viability-p1 set1 4 0.0015355304 -9.2651931159 4 -5.2651931159 4.9549173134 0.3954040606 0.2964293874 2.39744405 -6.44023401 -2.18160486 -6.84808057 -4.46093016 -6.57194201 -5.49476069 -5.28675135 -5.28171976 -0.30633126 -9.38766093 -4.98057497 -1.43697065 -6.57910962 0.0590567 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00164540-02 196697669 tox21-ror-cho-viability-p1 set1 4 1.66548022 11.53038603 0.40007891 1.91316763 3.25394563 1.21570427 -1.01032901 3.62431204 1.07398453 1.99937543 0.55628726 0.27268376 0.13859997 0.3873574 0.57872768 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1223-36-5 28554 170466292 A Clofexamide Clc1ccc(OCC(=O)NCCN(CC)CC)cc1 Tox21_112169_1 -NCGC00260490-01 196723829 tox21-ror-cho-viability-p1 set3 4 0.273060203 -6.9743545999 4 -2.9743545999 4.9549173134 0.617048274 0.0990350844 -3.19813167 6.07780193 3.58218219 2.15215925 5.45966667 5.66729397 8.46085318 -1.53704654 -2.01093578 -3.25909314 -1.80501462 -4.1452955 -1.52673364 -3.76549893 11.53186499 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 75-55-8 6377 144210142 Fns Propyleneimine CC1CN1 Tox21_202944 -NCGC00260369-01 196723831 tox21-ror-cho-viability-p1 set3 4 0.0039277893 6.85137028 -5.35137028 1.5 4.9549173134 0.3347022324 0.3512816337 -6.1261419 -4.95487425 2.38833795 -5.22365904 4.45505384 5.34563489 6.30558769 4.33469054 3.3219192 0.40947665 0.56419689 4.3892766 -3.86547939 -3.4983461 -2.18403861 1.198E-9 2.68E-9 5.992E-9 1.34E-8 2.996E-8 6.6989999999E-8 1.4979999999E-7 3.35E-7 7.4899999999E-7 0.000001675 0.000003745 0.000008374 0.000018719999999 0.00004187 0.00009362 34841-35-5 587128 144210021 A A 3'-Chloropropiophenone O=C(CC)c1cc(Cl)ccc1 Tox21_202823 -NCGC00248704-02 196697656 tox21-ror-cho-viability-p1 set1 4 0.0943917582 3.067439348 -2.567439348 0.5 4.9549173134 0.3324326397 0.3565641279 -2.74150722 0.15420613 -2.93853512 1.51464957 -8.38953279 -3.17895712 -2.06560701 1.63501204 -2.41364946 2.33379464 0.66214458 -0.1818942 1.44773554 1.55795537 -2.04954486 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87-81-0 2724552 170466850 Z D-Tagatose O[C@H]1[C@@H](O)[C@H](O)CO[C@@]1(O)CO Tox21_113373_1 -NCGC00091380-04 196697670 tox21-ror-cho-viability-p1 set1 4 1.08127818 1.19174974 0.22366264 -1.82717306 0.25311399 1.12039116 1.15542475 1.47802663 0.54943822 -7.27462238 1.35872398 -0.14050804 0.08460696 0.94136898 1.66519611 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00183855-01 196697673 tox21-ror-cho-viability-p1 set1 4 0.12563962 0.22875883 1.42288558 0.97238706 -4.98809259 -4.23888467 -1.17039862 -0.33392205 -0.68612876 -0.13388152 -0.18182562 3.41806208 0.89198006 -0.13048653 1.03646137 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 34645-84-6 65394 144206863 A A Fenclofenac Clc2cc(Cl)ccc2Oc1ccccc1CC(=O)O Tox21_113312 -NCGC00024427-05 196697675 tox21-ror-cho-viability-p1 set1 4 -3.0681554 -0.10815706 1.88789189 0.08047409 -2.02349338 -0.59936146 1.80157205 5.46850488 -5.55309156 3.04248546 3.21764084 -0.03233413 0.07824033 6.08540489 5.78952439 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16590-41-3 5360515 170465207 A Naltrexone hydrochloride O=C1CC[C@@]6(O)[C@H]3Cc5ccc(O)c4O[C@@H]1[C@]6(CCN3CC2CC2)c45 Tox21_112007_1 -NCGC00164629-02 196698074 tox21-ror-cho-viability-p1 set1 4 -1.08097837 -1.9758824 -1.48575978 -0.84642296 2.11957446 -4.85420241 -3.7514029 -2.46774458 0.24234544 2.64057964 1.90358098 2.14081855 0.99213058 1.28210125 -3.56407839 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26750-81-2 71916 170466533 A Alibendol Oc1c(cc(cc1OC)CC=C)C(=O)NCCO Tox21_112247_1 -NCGC00094557-06 196698090 tox21-ror-cho-viability-p1 set1 4 0.16785492 -3.296653464 3.5 0.203346536 1.9673362061 0.3291683697 0.3454012233 3.00549051 5.53363348 2.5048879 0.49737793 2.30057432 5.78857074 3.12406824 0.95576119 1.82890824 -0.54636276 3.07116939 -5.24721122 0.13385729 1.61106654 1.18766883 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3011-89-0 2075 170466191 A 2-Chloro-4-nitrobenzamide O=C(N)c1ccc(cc1Cl)[N+]([O-])=O Tox21_111296_1 -NCGC00016640-06 196698093 tox21-ror-cho-viability-p1 set1 4 -4.85839989 -4.24719014 -9.60520976 -3.58313037 0.47424637 -6.927095 -1.37433685 0.29845285 -5.9375915 -0.14485307 1.08414351 -2.60364943 -4.67864727 -2.61802546 0.59286336 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3778-76-5 19604 170465782 A Todralazine hydrochloride Cl.O=C(OCC)NNc2nncc1ccccc12 Tox21_113562_1 -NCGC00166000-04 196698497 tox21-ror-cho-viability-p1 set1 4 0.19160909 -0.23405694 -1.38219823 -1.56317278 -1.04340961 -4.32592572 -1.96619075 -1.52482061 -2.22052252 1.27188265 -1.55210632 0.12840059 -2.47372965 -1.43824137 2.66806928 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66108-95-0 3730 170464962 A Iohexol OCC(O)CNC(=O)c1c(I)c(N(CC(O)CO)C(C)=O)c(I)c(c1I)C(=O)NCC(O)CO Tox21_112286_1 -NCGC00254226-01 196698907 tox21-ror-cho-viability-p1 set1 -2.1 30.6378586933 -82.8476026772 -1.928670346 -84.7762730232 2.4063783767 0.9881101404 2.3E-9 -0.81953821 -1.48624052 -0.19495702 -1.6859905 -2.55896487 -0.44065356 1.1727103 0.80517056 -1.40622352 -1.48754101 -5.44602928 -12.39411209 -19.26910676 -58.74177248 -83.11399316 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2772-45-4 76013 144210636 A A 2,4-Bis(1-methyl-1-phenylethyl)phenol CC(C)(c1cc(ccc1O)C(C)(C)c2ccccc2)c3ccccc3 Tox21_300317 -NCGC00094817-05 196725548 tox21-ror-cho-viability-p1 set3 4 29.8492948118 -22.303184492 0 -22.303184492 2.6384283767 0.4669804873 0.2084883171 -9.41321958 -7.22143147 2.61693432 0.09890281 -8.44927754 5.31405948 5.6361418 4.36092678 0.61818737 1.97698538 3.19430641 4.16118971 -2.21501128 -5.87684239 -16.91932041 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2295-58-1 3362 170465817 A Flopropione O=C(CC)c1c(O)cc(O)cc1O Tox21_111340_1 -NCGC00016735-06 196725131 tox21-ror-cho-viability-p1 set3 4 1.6785492 24.904658912 -0.904658912 24 0.3 0.5363485099 0.1629257097 0.13014635 1.20186526 6.07322349 -2.83721576 5.06359438 4.99678075 12.99268567 3.50412236 16.00219978 0.80218898 8.79821007 16.76279429 13.23519363 17.90946072 3.1654272 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3615-24-5 5037 170466589 A Ramifenazone CC(C)NC=2C(=O)N(c1ccccc1)N(C)C=2C Tox21_111412_1 -NCGC00091830-04 196725529 tox21-ror-cho-viability-p1 set3 4 0.1933118196 -12.9195430159 5.5 -7.4195430159 0.2 0.434068454 0.2418429737 3.67683131 2.29972981 -0.15185791 0.03173017 -1.6059604 -0.64378618 0.79066285 -0.34962301 0.45866027 -6.28370224 -6.10774154 -0.87666042 -1.02370965 -0.5787951 -9.09961918 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00090698-04 196725533 tox21-ror-cho-viability-p1 set3 4 2.81251951 2.80990677 -6.54676387 3.88353413 6.3923432 -2.91575299 -8.33161203 -0.81956561 -7.2071178 15.37264805 -1.13031132 0.7161386 -1.26726144 10.21279057 -1.22953203 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00015060-14 196725945 tox21-ror-cho-viability-p1 set3 2.4 68.1713220381 28.4249802359 -2.4249802359 26 4.9549173134 0.8304126575 0.0039268758 -4.21356498 -1.63318647 2.2965577 0.9346232 -3.39388301 -0.00307299 -4.86386839 -4.80840187 -0.26135065 -7.43748353 -2.00265661 -1.63080172 -6.15721107 -1.21513406 20.59417785 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00179573-03 196725954 tox21-ror-cho-viability-p1 set3 4 0.89054344 1.55342012 -5.3545335 -0.26026019 1.39852093 5.16184045 -2.30994188 -0.93036988 1.27892171 0.58149051 0.15953422 -3.42124064 -1.92750205 2.32117497 -5.55404331 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33005-95-7 5468 170465577 C Tiaprofenic acid O=C(c1ccc(s1)C(C)C(=O)O)c2ccccc2 Tox21_110627_1 -NCGC00179619-06 196726361 tox21-ror-cho-viability-p1 set3 4 5.36730899 5.26604052 2.52324987 5.26270777 5.09671536 -2.51639687 0.69149102 7.09398842 7.64944634 -2.40097161 4.48868758 6.58371531 7.07553559 2.11973694 10.4217683 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 134-36-1 71277 170465433 F Erythromycin propionate CCC(=O)O[C@@H]3[C@H](C[C@@H](C)O[C@H]3O[C@@H]2[C@@H](C)[C@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)N(C)C Tox21_113189_1 -NCGC00257192-01 196707474 tox21-ror-cho-viability-p1 set1 4 -0.46694967 -1.43958912 3.14996516 2.15665571 2.50050251 0.04310041 1.69893417 1.82530234 2.70005267 0.93639374 0.05665441 3.2772805 -0.47216649 0.98665757 -4.49468223 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 463-40-1 5280934 144213639 F Fns Linolenic acid O=C(O)CCCCCCC/C=C\C/C=C\C/C=C\CC Tox21_303322 -NCGC00091011-05 196707874 tox21-ror-cho-viability-p1 set1 4 -1.56207651 -1.60617965 3.75701182 -0.74989302 1.02037413 1.69858445 3.36103785 8.19354876 0.47381905 3.12764603 1.67456056 -0.85956189 5.3591976 1.79955116 8.83650936 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00090708-05 196707883 tox21-ror-cho-viability-p1 set1 -1.1 6.1130564862 -63.063189415 0.463524831 -62.599664584 3.2474983358 0.9893012691 1.2E-9 2.39916539 2.61998249 0.62478769 0.57286364 -0.33206121 -0.18819893 0.11520803 -0.94789409 -0.25046292 1.03299175 -11.13584022 -43.59148585 -67.7447692 -63.63975426 -56.18935212 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00259586-01 196703752 tox21-ror-cho-viability-p1 set1 4 24.0645316308 -7.66112724 2 -5.66112724 4.9549173134 0.3804280101 0.3104549268 2.60841836 0.67663647 4.79029731 6.73032532 0.15032449 -0.01852932 2.13829606 -2.69482108 -0.77526648 2.91259346 5.08347525 3.1584354 0.34462525 -5.1342727 0.64982582 1.1689999999E-9 2.614E-9 5.844E-9 1.3069999999E-8 2.922E-8 6.5339999999E-8 1.461E-7 3.267E-7 7.305E-7 0.0000016329999999 0.000003653 0.000008167 0.00001826 0.00004084 0.000091309999999 88-06-2 6914 144209235 A A 2,4,6-Trichlorophenol Clc1cc(Cl)cc(Cl)c1O Tox21_202037 -NCGC00260183-01 196703741 tox21-ror-cho-viability-p1 set1 4 -6.94479025 -1.48105134 -9.53732809 -3.8083967 -3.48727078 -5.48320012 -9.43109473 0.25291543 -2.31160293 -8.33502441 -12.25010921 -2.62830961 -6.06635614 -2.34680956 -3.59144022 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.0000016719999999 0.0000037379999999 0.000008358 0.00001869 0.00004179 0.00009344 65039-08-9 2734235 144209833 A 1-Ethyl-3-methylmidazolium bromide [Br-].C[n+]1ccn(CC)c1 Tox21_202635 -NCGC00260209-01 196703744 tox21-ror-cho-viability-p1 set1 4 68.5198756601 -25.540397324 2.5 -23.040397324 4.9549173134 0.7772254412 0.0124323147 -1.87404799 2.36089638 -0.00203815 9.40797954 0.76232179 0.83362773 5.17587776 5.52207269 1.77316958 -0.00610257 3.82531362 1.45902663 3.98047482 3.55642411 -18.36699777 1.179E-9 2.6359999999E-9 5.8929999999E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.294E-7 7.367E-7 0.0000016469999999 0.0000036829999999 0.000008236 0.00001842 0.000041179999999 0.00009208 219947-94-1 60196381 144209859 FNS 1-Methyl-3-tetradecylimidazolium hexafluorophosphate F[P-](F)(F)(F)(F)F.C[n+]1ccn(CCCCCCCCCCCCCC)c1 Tox21_202661 -NCGC00260140-01 196703747 tox21-ror-cho-viability-p1 set1 4 0.18911597 0.98817863 -8.11268152 -1.51193736 -15.3143884 -2.31824243 -2.07619369 -11.00007629 -9.51406628 2.82266387 -0.17369828 -11.51452923 -11.50537057 -2.787693 -13.55024195 6.039E-10 1.35E-9 3.02E-9 6.752E-9 1.51E-8 3.376E-8 7.549E-8 1.688E-7 3.774E-7 8.4399999999E-7 0.0000018869999999 0.0000042199999999 0.0000094359999999 0.0000211 0.00004718 56-49-5 1674 144209790 A F 3-Methylcholanthrene Cc2ccc3cc1c5ccccc5ccc1c4CCc2c34 Tox21_202592 -NCGC00260377-01 196703758 tox21-ror-cho-viability-p1 set1 4 13.7968432063 11.815920368 -11.315920368 0.5 4.9549173134 0.4432260352 0.2306800303 -18.17993364 -16.03956746 -5.03941521 -5.5168785 -11.73387819 -13.15197899 -0.89390748 -7.91990698 -7.95003987 -16.5124825 -13.88088648 -16.46196095 -0.27635171 0.19837049 -0.22501842 1.188E-9 2.6549999999E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 3938-95-2 19838 144210029 Fns Ethylpivalate CC(C)(C)C(=O)OCC Tox21_202831 -NCGC00090750-04 196703760 tox21-ror-cho-viability-p1 set1 4 -3.40536976 -0.84938319 0.01654964 -2.81330684 0.56448573 -0.95940583 1.93229593 1.76568326 1.23152029 -3.66204236 0.37082839 -0.81843445 -1.38963947 -2.09723492 -6.34471514 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00260081-01 196703762 tox21-ror-cho-viability-p1 set1 4 -0.78979187 1.14575768 -0.53708683 1.1238029 1.9738018 4.28557637 6.65453442 0.50110489 1.45130614 2.24232576 0.38253721 -1.29141378 3.81194346 1.8139879 11.44890544 1.187E-9 2.6549999999E-9 5.937E-9 1.3279999999E-8 2.968E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.421E-7 0.000001659 0.0000037109999999 0.000008297 0.00001855 0.00004149 0.00009276 13889-92-4 26323 144209730 F F S-(Propyl) chlorothioformate ClC(=O)SCCC Tox21_202532 -NCGC00093802-06 196704173 tox21-ror-cho-viability-p1 set1 4 0.55543589 -0.84981246 -0.33227638 1.0734051 -1.12638151 1.53155415 0.37407061 0.51713633 -0.63744334 -0.61669355 0.20691798 0.81012342 0.67098783 1.36920975 -5.86143674 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53-43-0 5881 170465614 Z Dehydroepiandrosterone O=C4CC[C@@H]3[C@]4(C)CC[C@H]2[C@H]3CC=C1C[C@@H](O)CC[C@@]12C Tox21_111222_1 -NCGC00091888-09 196704174 tox21-ror-cho-viability-p1 set1 4 1.6458037 -0.72933138 0.99785482 1.41467012 -0.00467932 -0.07292894 -1.40530592 -1.01073433 -6.34799773 -3.11318388 0.07314544 -2.10934355 1.94636504 -3.4517317 1.99256194 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118-56-9 8362 170465478 F 3,3,5-Trimethylcyclohexyl salicylate O=C(OC1CC(C)CC(C)(C)C1)c2ccccc2O Tox21_111174_1 -NCGC00255065-01 196713996 tox21-ror-cho-viability-p1 set2 4 -1.5100572 0.46019784 1.59568524 -0.06998534 1.41835769 3.39742897 2.96753902 1.10598225 -0.07093283 3.47535442 1.54784274 3.08183634 -0.19194246 3.04534215 -0.07493223 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-40-7 8049 144211484 A A Diethyl decanedioate O=C(CCCCCCCCC(=O)OCC)OCC Tox21_301167 -NCGC00254563-01 196714003 tox21-ror-cho-viability-p1 set2 4 -0.27312912 -1.87476361 0.66270051 -1.78393919 -1.8135224 -0.12084502 -4.77943096 -7.76864848 -0.36997277 0.62036728 -2.29065554 5.00032984 -7.55825561 5.05531719 5.88205367 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15299-99-7 27189 144210972 A A Napropamide CCN(CC)C(=O)C(C)Oc2cccc1ccccc12 Tox21_300655 -NCGC00254205-01 196713989 tox21-ror-cho-viability-p1 set2 4 0.0077859 0.19483496 0.14751338 0.09051023 0.54404003 0.73227028 0.44250733 -0.5147902 -0.21043135 0.82211638 1.60443278 2.54500761 5.32962477 1.39325042 0.02654868 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1929-77-7 16003 144210493 A A Vernolate O=C(SCCC)N(CCC)CCC Tox21_300173 -NCGC00163774-04 196713995 tox21-ror-cho-viability-p1 set2 4 0.63247702 3.23832036 2.29465675 0.06037741 1.89097981 0.40086951 2.72409989 0.0629077 2.09723553 4.72924186 1.09852509 4.96596365 4.78609412 1.93794314 4.5277653 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00255074-01 196714406 tox21-ror-cho-viability-p1 set2 4 -0.60446055 -1.138621 -1.92112465 -0.86370606 -2.75452479 -3.42917115 1.14356171 0.31018831 -0.97489181 -0.96542291 -0.41166621 -3.51039433 -1.8545907 -0.43171736 -7.96551626 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 3766-60-7 19587 144211493 A A Buturon Clc1ccc(NC(=O)N(C)C(C)C#C)cc1 Tox21_301176 -NCGC00254536-01 196714408 tox21-ror-cho-viability-p1 set2 4 -2.89196663 -1.66859769 0.02713078 -1.15952882 -0.65110356 -2.09854337 -1.6079152 -0.4054448 -0.96754059 -0.05269964 0.81120754 -0.02648181 -1.17614877 7.02249247 0.81130985 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3855-32-1 77463 144210710 A Fc 2,6,10-Trimethyl-2,6,10-triazaundecane CN(C)CCCN(C)CCCN(C)C Tox21_300392 -NCGC00257520-01 196714416 tox21-ror-cho-viability-p1 set2 4 -1.85614695 -0.31365959 1.48190386 0.62238678 0.20058672 0.72696672 0.51958766 -0.48472447 1.68156886 2.79170285 -15.75607896 -0.8509739 1.63100602 -2.7121699 -0.1489328 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-85-6 66854 144211073 F Benzyltrimethylammonium hydroxide [OH-].C[N+](C)(C)Cc1ccccc1 Tox21_300756 -NCGC00090986-03 196714819 tox21-ror-cho-viability-p1 set2 -2.4 69.008347349 -38.140310184 2 -36.140310184 4.9549173134 0.965847879 0.0000010153 -0.70174157 0.47262892 1.9844286 1.68928248 1.85682592 0.01121189 2.94661928 2.7825236 3.79816757 1.87352722 -0.14291822 4.18381789 2.64667575 0.98602153 -29.28359182 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00254786-01 196714823 tox21-ror-cho-viability-p1 set2 1.1 8.6261412682 53.282828738 0.3135598239 53.5963885619 3.5117481694 0.9191779931 0.0001088116 0.20558362 0.69813497 -3.47605957 0.09719445 -1.36631247 0.02086968 0.36603537 -0.6063624 4.79450217 2.64095172 2.08981303 19.56512355 66.82731427 55.19951163 38.62884062 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 39515-41-8 47326 144211199 A A Fenpropathrin CC3(C)C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C Tox21_300882 -NCGC00254624-01 196714828 tox21-ror-cho-viability-p1 set2 4 0.0048557734 -23.038028632 16 -7.038028632 1.4163171 0.7140809604 0.0730598307 39.89377585 11.20319155 -1.55321194 -0.89509649 -1.14653789 -10.86502386 -4.68739154 -9.98183433 -8.43704693 -5.85126602 -9.87138286 -4.70498644 -5.48457749 -9.77662172 -2.75924545 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 29232-93-7 34526 144211035 B C Pirimiphos-methyl CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1 Tox21_300718 -NCGC00255039-01 196714829 tox21-ror-cho-viability-p1 set2 4 -1.27262831 -0.82302827 -2.75086148 0.4401362 -0.21413769 0.52825778 -0.76644401 0.09086058 -0.00212987 -0.94416358 0.40149745 3.6543841 5.04420573 6.00113955 2.84164388 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119515-38-7 125098 144211458 A A Icaridin CC(OC(=O)N1CCCCC1CCO)CC Tox21_301141 -NCGC00254430-01 196715241 tox21-ror-cho-viability-p1 set2 4 0.78701664 1.94748431 4.82131278 1.75629307 1.72701224 1.18431614 0.16769652 1.13248417 1.16225658 -0.74248054 -0.97888389 -0.02133677 7.60882459 3.53276303 4.5045556 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 108-67-8 7947 144210659 FNS 1,3,5-Trimethylbenzene Cc1cc(C)cc(C)c1 Tox21_300341 -NCGC00253997-01 196715243 tox21-ror-cho-viability-p1 set2 4 1.25121936 -2.05555864 0.82786364 0.40723553 -1.31024281 -2.51736645 -4.286773 -5.35125248 -1.45480506 0.05364739 -3.13185987 -0.41199053 -0.39018113 -1.06276992 2.36137461 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 556-52-5 11164 144210621 F Glycidol OCC1CO1 Tox21_300301 -NCGC00016954-10 196712774 tox21-ror-cho-viability-p1 set2 4 -0.88969318 2.44754835 8.54359855 2.82504406 -1.74353978 8.63412943 1.83720834 0.51507562 1.91904724 -2.59708623 -0.77031962 0.52837457 0.75328142 -0.40621326 2.76497789 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 85798-08-9 55397 170466501 I (-)-Quinpirole hydrochloride Cl.CCCN1CCC[C@@H]2Cc3nncc3C[C@@H]12 Tox21_110707_1 -NCGC00015479-19 196723014 tox21-ror-cho-viability-p1 set3 4 -0.73916258 -0.26231149 2.85095825 4.00339059 0 0.05955859 2.24103048 -22.4301099 0.4169673 8.91587244 7.98405824 3.34709268 -4.84975057 2.87816573 -2.22404455 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 446-72-0 5280961 170466848 A Genistein Oc1ccc(cc1)C3=COc2cc(O)cc(O)c2C3=O Tox21_110161_1 -NCGC00015428-15 196722603 tox21-ror-cho-viability-p1 set3 4 -19.60757254 -24.90108738 -29.00375187 -13.60542615 -3.59810757 -15.36036475 -34.28826736 -13.33862499 -1.6786592 -10.4472657 -6.27433601 -10.84079461 -10.71336658 -11.47474946 -16.60794955 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54910-89-3 3386 170465374 A (+/-) -Fluoxetine FC(F)(F)c2ccc(OC(CCNC)c1ccccc1)cc2 Tox21_110144_1 -NCGC00263540-01 196722608 tox21-ror-cho-viability-p1 set3 2.4 29.8492948118 34.256184652 -3.756184652 30.5 4.0949729863 0.8306114326 0.0038958149 -0.70516296 -5.67633833 -4.89838189 -3.9221892 -0.53730271 -1.03338611 -0.87143412 0.45920751 -6.20447683 -5.89975064 -3.86341088 -12.71348721 0.05848829 1.76254055 25.52899877 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 65576-45-6 3036780 170465569 A Asenapine Clc1cc3c(cc1)Oc2ccccc2[C@@H]4CN(C)C[C@@H]34 Tox21_113596_1 -NCGC00249888-01 196723008 tox21-ror-cho-viability-p1 set3 4 26.6032120037 -19.829198232 -0.5 -20.329198232 1.55794881 0.7151953525 0.0318886381 3.76108866 -0.05239899 1.9214601 -0.81740141 0.72554417 -4.54478879 -0.48373902 -5.62037885 -2.32028211 1.34248569 -1.19790221 0.4846914 -6.36712303 -6.70150371 -15.27433186 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68-19-9 5311498 170464872 F F Vitamin B12 NC(=O)CC[C@@H]8C=2N=C(C(C)=C1[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@@](C)(N1[Co+]C#N)[C@@H]7N=C(C(C)=C3N=C(C=2)C(C)(C)[C@@H]3CCC(N)=O)[C@](C)(CCC(=O)NC[C@@H](C)OP([O-])(=O)O[C@@H]6[C@@H](CO)O[C@H](n5cnc4cc(C)c(C)cc45)[C@@H]6O)[C@H]7CC(N)=O)[C@@]8(C)CC(N)=O Tox21_113664 -NCGC00091759-02 196723017 tox21-ror-cho-viability-p1 set3 4 0.1919527 -7.46662023 -9.26317698 -1.13204326 -1.92539157 -2.03607602 -10.83344462 0.24883927 -1.24905073 -5.58108322 -9.22131439 -11.16994975 -9.52886059 -8.27813641 -6.10813884 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00253715-01 196723021 tox21-ror-cho-viability-p1 set3 4 33.4914596268 9.6200836519 -0.1200836519 9.5 4.9549173134 0.5280713597 0.1569383366 -0.14196398 -1.66418655 0.45027763 0.20020266 -0.23794584 3.00619871 0.20409144 3.01297616 -1.3501635 -0.12444444 -5.10006971 1.25670278 1.0360599 0.66238125 7.91309377 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67914-60-7 712441 170466664 A A 4-(4-Acetylpiperazin-4-yl)phenol O=C(C)N1CCN(CC1)c2ccc(O)cc2 Tox21_113834 -NCGC00263575-01 196723028 tox21-ror-cho-viability-p1 set3 4 0.87737866 -0.15188075 0.06390691 0.00977799 -1.25950319 2.95430669 3.56373546 0.32208447 -2.89773906 4.3849275 -7.22602487 6.46992757 1.90754837 -8.54797414 -5.80323806 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 163222-33-1 150311 170465013 B Ezetimibe Fc1ccc(cc1)[C@@H](O)CC[C@H]3C(=O)N(c2ccc(F)cc2)[C@@H]3c4ccc(O)cc4 Tox21_111443_1 -NCGC00178854-03 196723423 tox21-ror-cho-viability-p1 set3 1.2 0.2371013766 33.1132326959 -1.7118907239 31.401341972 4.9549173134 0.9375608339 0.0000279801 -4.95241354 1.78995435 -2.87227019 1.68435703 -2.81596528 -5.59324227 1.46795739 0.97115238 32.35952592 32.55562173 36.62938289 26.32590359 26.65759457 24.66906544 38.75186385 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13614-98-7 54685925 170465049 A Minocycline hydrochloride Cl.CN(C)c2ccc(O)c1C(=O)C3=C(O)[C@]4(O)C(=O)C(=C(O)[C@@H](N(C)C)[C@@H]4C[C@@H]3Cc12)C(N)=O Tox21_111250_1 -NCGC00018221-08 196723421 tox21-ror-cho-viability-p1 set3 4 -0.68187595 5.54132485 -9.96673991 -11.74904284 -7.15030396 0 0 0 4.30871773 2.14617322 2.46457845 0.73672644 -5.55711584 -3.77122815 -4.33846809 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00183850-01 196723432 tox21-ror-cho-viability-p1 set3 4 33.4914596268 14.240023364 0.759976636 15 4.9549173134 0.6643014763 0.0565588472 2.6233318 2.34877888 0.85708732 1.20350226 4.50957543 2.84855828 0.20664924 -0.49080837 -2.70001947 3.70945347 0.73271233 -0.84153936 -0.89207279 -2.35441904 13.57359568 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_48792 10133071 144206820 I I {4-[4-(Acetylamino)-2-oxopyrimidin-1(2H)-yl]-1,3-dioxolan-2-yl}methyl benzoate O=C(OCC1OCC(O1)N2C=CC(NC(C)=O)=NC2=O)c3ccccc3 Tox21_113269 -NCGC00255076-01 196720609 tox21-ror-cho-viability-p1 set3 4 5.3574803 -0.9113175 -3.46734454 1.25728459 8.69809791 8.24115317 11.90045179 9.23809987 -2.90188139 7.98109788 10.39800878 -5.65544724 3.05425451 9.53715763 6.52925377 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-40-5 6808 144211495 A A 1,2,3,6-Tetrahydrophthalimide O=C1NC(=O)C2CC=CCC12 Tox21_301178 -NCGC00254985-01 196720192 tox21-ror-cho-viability-p1 set3 4 7.79203327 7.1574327 8.80053987 -3.12341004 5.69062447 6.34818126 4.09472084 -1.11350865 2.64375023 -0.89872649 1.21067497 3.57313498 7.15917688 7.37053485 2.62991457 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-95-7 517827 144211401 C 2-Methyl-3-[4-(propan-2-yl)phenyl]propanal CC(C)c1ccc(CC(C)C=O)cc1 Tox21_301084 -NCGC00260559-01 196724380 tox21-ror-cho-viability-p1 set3 4 0.0007497804 11.57406544 -10.07406544 1.5 4.9549173134 0.4494526668 0.2269619382 -7.5617212 1.76092136 -2.6347864 4.37090754 1.84288307 2.23435806 -0.21796112 3.69888699 4.17870583 -1.15101284 -2.47124359 2.64401005 2.8161275 -0.72141417 6.40436527 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49455 144210212 M M NTP Mix67 CT1 62-EQP Tox21_203014 -NCGC00260311-01 196724360 tox21-ror-cho-viability-p1 set3 -2.2 54.8707457568 -50.4431384718 -2.559381327 -53.0025197988 1.4641 0.8618505314 0.0015392945 -3.42207373 -5.01031746 -3.05481282 -3.81112567 -1.40958323 -3.64282703 -0.04003538 -0.79948092 -0.9569363 -0.17341592 -1.66983511 -17.63308939 -3.69791927 -23.51921974 -40.15342409 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.635E-8 1.484E-7 3.317E-7 7.4179999999E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.000041469999999 0.000092719999999 68937-41-7 75628 144209962 F F Triisopropylated phenyl phosphate CC(C)c1ccc(cc1)OP(=O)(Oc2ccc(cc2)C(C)C)Oc3ccc(cc3)C(C)C Tox21_202764 -NCGC00091902-08 196724371 tox21-ror-cho-viability-p1 set3 4 0.1368542878 6.702823044 -4.202823044 2.5 3.0654483358 0.5514354518 0.151050618 4.10759965 -8.08568587 -4.70957121 -5.14803692 -3.93224468 -6.08038926 0.79520946 1.45772482 1.70444992 3.6900174 2.61840074 4.40171732 2.15759151 0.39585107 -14.92135214 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00357029-01 196724773 tox21-ror-cho-viability-p1 set3 4 5.4482673282 4.938683964 -1.938683964 3 4.9549173134 0.3973260479 0.2767660597 -2.32453057 -3.48817189 2.36450607 -2.17074955 5.26801635 -2.29932965 -3.84536713 -5.36556997 -2.90914453 -3.88755769 -2.91547932 4.91033557 2.73869256 0.972547 3.53337741 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120983-64-4 119361 251919786 A Pyrasulfotole metabolite (SXX 0665) OC(Cn1cncn1)(Cc2ccccc2Cl)C3(Cl)CC3 Tox21_303715 -NCGC00357122-01 196724797 tox21-ror-cho-viability-p1 set3 4 34.3762428541 -22.4298355679 -3 -25.4298355679 4.9549173134 0.5716638528 0.1179291164 -0.29518927 -10.58940815 -7.04442175 -10.52886203 -5.2563009 -5.15300479 3.40943937 1.74333993 -16.90097014 2.25904325 4.82807539 0.56871904 1.5200665 -21.0949152 -26.19152964 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2032-65-7 16248 251919710 A Methiocarb Cc1cc(cc(C)c1SC)OC(=O)NC Tox21_303856 -NCGC00179341-04 196725200 tox21-ror-cho-viability-p1 set3 -2.4 0.0047307944 -25.433111184 12.5 -12.933111184 1.6604358099 0.863555751 0.0014538382 9.92558215 14.30709947 0 0 -11.39320559 -14.13578077 -12.6073387 -15.21237806 -16.99452552 -17.44425932 -14.02618877 -8.48032913 -12.90408186 -10.71633983 -6.24126698 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 99614-02-5 4595 170464701 A Ondansetron O=C1C(CCc3c1c2ccccc2n3C)Cn4ccnc4C Tox21_113048_1 -NCGC00274067-01 196725201 tox21-ror-cho-viability-p1 set3 4 -2.01959063 -2.90633529 -2.85484406 -3.4820075 2.9178789 3.31746553 5.64573897 -9.1418166 -5.9804426 4.1937811 0.11764711 -11.14005249 -1.50268238 5.49878745 0.18408826 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 496775-61-2 25181561 170465399 A F Eltrombopag olamine O=C(O)c1cccc(c1)c4cccc(N\N=C2\C(=O)N(N=C2C)c3ccc(C)c(C)c3)c4O Tox21_113965 -NCGC00016384-15 196725202 tox21-ror-cho-viability-p1 set3 -1.2 6.6824247267 -38.9960185068 -1.4548901889 -40.4509086957 1.8851180601 0.9024254939 0.0002846229 -14.04346692 -0.17461716 -5.11820506 2.19004084 -3.34991431 1.81646558 -2.53607147 4.90532356 -1.56846596 1.81552371 -1.98162316 -15.27763603 -26.51018393 -35.07747093 -39.64357833 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127-69-5 5344 170464636 A Sulfisoxazole Cc2c(NS(=O)(=O)c1ccc(N)cc1)onc2C Tox21_110409_1 -NCGC00249936-01 196725291 tox21-ror-cho-viability-p1 set3 4 0.003349146 -18.6037150319 6.5 -12.1037150319 3.9294729863 0.8239900309 0.0046141249 3.6116148 9.53955806 -0.63925289 -10.47864027 -7.76985081 -14.73647163 -9.89785805 -10.41449132 -16.75309586 -15.66801538 -16.16938414 -7.08440177 -13.58993187 -11.48710078 -9.2231839 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10397-75-8 25229 170465965 F A Iocarmic acid O=C(Nc1c(I)c(c(I)c(c1I)C(=O)O)C(=O)NC)CCCCC(=O)Nc2c(I)c(C(=O)NC)c(I)c(C(=O)O)c2I Tox21_113712 -NCGC00016034-05 196725271 tox21-ror-cho-viability-p1 set3 4 21.1316824289 -13.994993024 1.5 -12.494993024 3.1319983358 0.504339549 0.1750769938 -4.18888233 0 2.40227781 0.06049579 -7.56116171 5.66732537 3.75486744 5.2164192 -0.62833865 1.50685784 3.51042499 4.65976702 2.71612225 -6.28591161 -11.24582752 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56776-01-3 5702285 170465781 A Tulobuterol hydrochloride Cl.OC(CNC(C)(C)C)c1ccccc1Cl Tox21_111277_1 -NCGC00274277-01 196725273 tox21-ror-cho-viability-p1 set3 1.4 0.0237101377 14.628802468 1.371197532 16 4.9549173134 0.7341613194 0.0245836993 0.72344032 0.43878666 -0.10733539 7.38003784 0 14.79412896 14.8101324 16.36309162 16.64881983 11.6878247 9.2030829 15.28231721 25.08368801 21.39802881 12.5724228 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35941-65-2 21772 170466439 A F Butriptyline CN(C)CC(C)CC2c3ccccc3CCc1ccccc12 Tox21_113980 -NCGC00015387-06 196725290 tox21-ror-cho-viability-p1 set3 4 -7.08180002 -9.58665114 0.88257121 -2.6338532 -2.54983022 0.62577075 -3.1751866 -1.06852548 -8.90404991 -10.77072531 0.1206503 2.04544113 -2.29206428 1.3032463 -2.42124985 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56-06-4 2944 170466674 Z 2,4-Diamino-6-hydroxypyrimidine NC1=CC(=O)N=C(N)N1 Tox21_113576_1 -NCGC00183830-01 196705412 tox21-ror-cho-viability-p1 set1 -2.2 29.8492948118 -58.1264675876 -1.53426598 -59.6607335676 2.0478617061 0.9209997115 0.0000968622 -0.40011979 -0.01253069 -0.92154926 0.55377197 -1.49019354 -3.40087834 -1.1145781 -0.90259571 -2.35258644 5.14513437 -2.19033241 -10.5123834 -10.15016808 -15.82210511 -45.19752543 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94739-29-4 65953 144206840 A A Lemildipine O=C(OC)C1=C(C)NC(COC(N)=O)=C(C1c2cccc(Cl)c2Cl)C(=O)OC(C)C Tox21_113289 -NCGC00178802-06 196705418 tox21-ror-cho-viability-p1 set1 4 -4.56562844 -1.51840363 -3.15608165 -5.02934698 0.60590161 -3.56772099 -1.90283655 0.4648414 -1.29387961 0.44937833 -6.38186061 -0.02631747 -3.18906663 0.37598999 -0.38757893 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 138-14-7 62881 170464752 A Deferoxamine mesylate ON(CCCCCNC(=O)CCC(=O)N(O)CCCCCN)C(=O)CCC(=O)NCCCCCN(O)C(C)=O.CS(=O)(=O)O Tox21_110741_1 -NCGC00015122-11 196705422 tox21-ror-cho-viability-p1 set1 4 -7.51800403 -5.73599441 1.37527281 -4.32294086 -4.63594393 -4.13259973 0.75167334 -0.03892814 -0.65877697 -0.79661304 -4.48715205 -6.7864267 -5.89441301 -8.10395148 -8.62448608 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 31677-93-7 62884 170464747 C Bupropion hydrochloride Cl.O=C(c1cc(Cl)ccc1)C(C)NC(C)(C)C Tox21_110621_1 -NCGC00016522-10 196705423 tox21-ror-cho-viability-p1 set1 4 0.97709018 -1.95617362 -2.00353458 0.76868153 -2.67212617 -1.8805812 -1.30785981 -0.55532572 0.45895972 -3.28026282 1.72774811 -1.63593358 1.20237149 -1.74897149 5.90989562 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 603-50-9 2391 170464843 A Bisacodyl CC(=O)Oc1ccc(cc1)C(c2ccc(OC(C)=O)cc2)c3ccccn3 Tox21_110472_1 -NCGC00091261-03 196705842 tox21-ror-cho-viability-p1 set1 4 48.5577336745 -28.1775063039 9 -19.1775063039 0.5 0.68047717 0.047458111 7.12845643 9.58073752 8.26911612 15.21532668 6.39852973 6.13594822 6.09142473 11.7514022 6.5063881 0.30924958 0.93114616 0.11015154 -0.74041018 3.10183028 -12.64792192 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00259204-01 196706243 tox21-ror-cho-viability-p1 set1 4 0.0015090223 12.053657624 -12.053657624 0 4.9549173134 0.3672300135 0.3046840088 -10.02510935 0.91990631 -1.74391716 -0.77952878 2.0015681 2.01610633 2.62321089 1.19451718 2.67422289 -10.87804802 -2.05597575 1.59560543 2.28880442 1.59778768 1.36589622 1.163E-9 2.5999999999E-9 5.813E-9 1.2999999999E-8 2.9069999999E-8 6.499E-8 1.453E-7 3.25E-7 7.266E-7 0.000001625 0.0000036329999999 0.000008124 0.00001817 0.000040619999999 0.00009083 7481-89-2 24066 144208853 A A 2',3'-Dideoxycytidine NC1=NC(=O)N(C=C1)[C@H]2CC[C@@H](CO)O2 Tox21_201655 -NCGC00259545-01 196706246 tox21-ror-cho-viability-p1 set1 4 1.371783 0.31185076 -0.56311005 -1.62364332 -0.82891615 1.71773918 0.23995022 1.51716702 0.83894679 7.79641697 2.58678697 3.95480517 5.12187377 -2.86904073 -1.80235831 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004125 0.00009223 53-43-0 5881 144209194 A A Dehydroepiandrosterone O=C4CC[C@@H]3[C@]4(C)CC[C@H]2[C@H]3CC=C1C[C@@H](O)CC[C@@]12C Tox21_201996 -NCGC00260100-01 196703781 tox21-ror-cho-viability-p1 set1 4 -0.67893451 -0.05011038 -0.93520573 -9.0745416 -3.24245329 -9.29175792 -3.92329088 -12.83321409 -4.23011502 -0.16804979 -5.8074216 -13.04725891 -14.55795297 1.23303637 -5.42742411 1.304E-9 2.915E-9 6.5189999999E-9 1.4579999999E-8 3.259E-8 7.288E-8 1.63E-7 3.644E-7 8.1489999999E-7 0.0000018219999999 0.0000040739999999 0.00000911 0.00002037 0.000045549999999 0.0001019 108-20-3 7914 144209749 Fns Isopropyl ether CC(C)OC(C)C Tox21_202551 -NCGC00244579-01 196703772 tox21-ror-cho-viability-p1 set1 -3 61.130564862 -54.8760979459 1.8524726759 -53.02362527 4.0449729863 0.9718882524 3.359E-7 2.83490161 2.38172706 1.33121244 2.02119822 -0.45702618 0.7383014 1.42034727 2.09222271 2.59791909 1.03956714 8.61446673 0.29954508 0.74467515 -6.84955315 -44.33607975 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00357284-01 196703775 tox21-ror-cho-viability-p1 set1 4 -9.10478818 -0.28617842 3.72612088 -6.28925936 -15.52252443 -5.69922458 -8.06262917 -3.40728077 -6.15671566 -4.87321201 -5.25638107 -0.10736306 -4.48183541 0.93439668 -21.4132978 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55179-31-2 91656 251919734 I Bitertanol CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3 Tox21_303756 -NCGC00260455-01 196703780 tox21-ror-cho-viability-p1 set1 4 55.0372028519 -19.019714264 0 -19.019714264 1.21 0.4988481013 0.1799336868 1.7130681 1.07646303 4.00888102 -0.89688846 -0.02054345 -8.38515671 2.85181137 -1.13948721 -0.44295672 -1.7115231 1.79065724 1.25372534 -10.4795322 -2.7237416 -14.18309522 1.19E-9 2.661E-9 5.951E-9 1.331E-8 2.975E-8 6.653E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.000003719 0.000008317 0.0000186 0.00004158 0.00009298 2835-97-4 3014138 144210107 A B 2-Amino-m-cresol Cc1cccc(O)c1N Tox21_202909 -NCGC00258482-01 196716505 tox21-ror-cho-viability-p1 set2 -2.4 69.3576091162 -28.370538764 -2 -30.370538764 1.6266150999 0.7745137286 0.0130548857 0.08677459 -5.9786359 -1.52379035 -5.88406575 0.73590414 -1.06105269 2.00314669 -4.78781268 1.01112586 1.56963936 -4.45101327 -4.83284011 -5.40028658 -7.96308371 -21.97544897 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.3289999999E-7 7.445E-7 0.000001665 0.0000037219999999 0.000008324 0.00001861 0.00004162 0.00009306 55566-30-8 41478 144208126 Bc Tetrakis(hydroxymethyl)phosphonium sulfate OC[P+](CO)(CO)CO.[O-]S([O-])(=O)=O.OC[P+](CO)(CO)CO Tox21_200928 -NCGC00258593-01 196716079 tox21-ror-cho-viability-p1 set2 4 -0.48402953 -0.47154307 -0.73495234 -3.12776417 1.29957619 1.43320379 0.009464 3.51710485 -0.82302916 -0.53500779 3.21609561 0.94718075 0.62805379 -0.47220983 -2.70429511 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 84-76-4 6787 144208238 A Z Dinonyl phthalate O=C(OCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCC Tox21_201040 -NCGC00258162-01 196716493 tox21-ror-cho-viability-p1 set2 4 1.82668902 2.08652499 -0.21097836 0.17039987 -1.011679 -0.5742509 -0.66480999 -0.17773776 3.12473201 -1.54874186 2.55782515 -1.09363137 -6.57777771 -3.44922312 -0.56807079 1.188E-9 2.6549999999E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.639E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001856 0.00004149 0.00009278 475575-45-2 2734241 144207806 A A 1-Butyl-2,3-dimethylimidazolium bromide [Br-].CCCCn1cc[n+](C)c1C Tox21_200608 -NCGC00257982-01 196716502 tox21-ror-cho-viability-p1 set2 4 1.1347792 3.23800279 0.6034313 1.66607101 1.28030484 2.74230086 0.94687513 0.30159872 1.55177808 -0.37296801 -0.8582812 -1.22385381 2.30737626 1.04967076 -0.86002542 1.19E-9 2.661E-9 5.95E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003719 0.000008315 0.00001859 0.00004157 0.000092959999999 88-51-7 6935 144207626 A A 2-Amino-4-chloro-5-methylbenzenesulfonic acid Cc1cc(c(N)cc1Cl)S(=O)(=O)O Tox21_200428 -NCGC00262918-01 196716899 tox21-ror-cho-viability-p1 set2 4 -0.66479157 2.02914411 2.64113051 3.06924851 6.82971822 6.3858798 6.4641651 2.92954475 1.30532102 1.95560418 1.69308162 1.64908558 0.74220336 0.34818543 0.97925686 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 300-22-1 9302 170466086 F A Medazomide O=C(N)C=1CCC(=O)N(C)N=1 Tox21_113915 -NCGC00095192-05 196716905 tox21-ror-cho-viability-p1 set2 -2.1 33.4914596268 -96.0868592127 -8.011761542 -104.0986207547 3.5722481694 0.969243728 5.59E-7 -9.88669252 -8.17966966 -5.99037886 -6.22905893 -7.26316472 -11.10593742 -0.22724204 -5.57082809 -4.48726391 -9.33174184 -10.98886055 -12.99468943 -14.22907344 -22.99711732 -82.61795298 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 145158-71-0 5362436 170466887 A Tegaserod maleate N=C(NCCCCC)N\N=C\c2cnc1ccc(cc12)OC Tox21_111481_1 -NCGC00255105-01 196714432 tox21-ror-cho-viability-p1 set2 4 31.0121236216 10.97169594 -0.97169594 10 0.9641 0.5577411557 0.1306488407 -2.67389466 -1.98770545 -1.68296748 -1.03059214 0.93859908 0.63189913 -2.89307995 1.27648318 -0.35066315 1.17483227 -1.81883466 -0.90436734 8.31702281 0.99195585 9.08468878 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 106-68-3 246728 144211525 FNS 3-Octanone CCC(=O)CCCCC Tox21_301208 -NCGC00254409-01 196714028 tox21-ror-cho-viability-p1 set2 4 -0.48283594 1.66510415 -0.21965341 -1.10966077 0.0465647 4.18822218 2.5971032 0.50329078 2.29080908 2.00678737 -0.8656664 4.51615607 3.88023771 3.2291076 4.92403753 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 678-39-7 69619 144210715 1,1,2,2-Tetrahydroperfluoro-1-decanol FC(F)(C(F)(F)CCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300397 -NCGC00254085-01 196714033 tox21-ror-cho-viability-p1 set2 4 0.32674572 -0.42655626 0.7166578 0.60684951 -0.66052105 2.28568968 0.81583428 -1.20423058 0.14381982 0.8150854 1.39879468 4.90869466 3.91786485 6.94600394 4.4611814 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-15-2 7127 144210391 A A Methyleugenol COc1cc(ccc1OC)CC=C Tox21_300071 -NCGC00254116-01 196714429 tox21-ror-cho-viability-p1 set2 4 0.61524974 2.12948852 -0.21028462 0.42595204 -0.12944957 0.52680986 0.58455195 1.02444834 0.35995667 0.34214263 -0.00043675 2.18323985 4.67920221 0.92000768 -0.46273573 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 139-13-9 8758 144210476 A A Nitrilotriacetic acid OC(=O)CN(CC(=O)O)CC(=O)O Tox21_300156 -NCGC00254035-01 196714843 tox21-ror-cho-viability-p1 set2 -2.1 61.130564862 -91.6014702541 0.6324964929 -90.9689737612 4.0449729863 0.995914911 0 1.17403976 0.12738868 -1.25221905 2.06567102 1.78519279 2.09461794 0.31198336 -0.4061302 0.28724883 -0.26290887 -0.24612514 2.21039548 2.56217616 -15.7729329 -76.11285891 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 532-27-4 10757 144210365 D 2-Chloroacetophenone O=C(CCl)c1ccccc1 Tox21_300045 -NCGC00254226-01 196714845 tox21-ror-cho-viability-p1 set2 -2.1 48.5577336745 -95.0330931971 0.3695026859 -94.6635905112 3.0654483358 0.994634166 0 -0.00208778 0.24664742 0.44360977 -1.86726779 -1.88031633 2.25993181 -1.957577 -1.07580512 1.24072362 0.05183959 2.64406487 3.22649548 -4.63201052 -34.79534964 -83.07847766 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2772-45-4 76013 144210636 A A 2,4-Bis(1-methyl-1-phenylethyl)phenol CC(C)(c1cc(ccc1O)C(C)(C)c2ccccc2)c3ccccc3 Tox21_300317 -NCGC00259960-01 196722206 tox21-ror-cho-viability-p1 set3 4 14.7173110542 6.6056679119 -5.1056679119 1.5 2.8472712143 0.5296936932 0.1543494893 -3.26756949 -3.84654989 -7.64931526 -0.07701772 -6.17147988 -4.95977215 -7.95332074 -2.84151758 -9.25472326 -5.90329938 -7.2724351 -3.31472427 -1.65606697 1.96688929 1.07702855 1.1389999999E-9 2.548E-9 5.697E-9 1.2739999999E-8 2.849E-8 6.37E-8 1.424E-7 3.185E-7 7.1209999999E-7 0.000001592 0.000003561 0.000007962 0.0000178 0.00003981 0.00008902 542-56-3 10958 144209609 D Isobutyl nitrite CC(C)CON=O Tox21_202411 -NCGC00091175-03 196698533 tox21-ror-cho-viability-p1 set1 4 2.33785119 4.99851098 4.74664996 -0.18215252 1.96133051 -0.03633767 0.42484433 -0.38826442 0.70594705 1.51657627 3.83434906 -2.30518202 0.92080142 0.16736801 3.73115407 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118-92-3 227 170465552 A Anthranilic acid OC(=O)c1ccccc1N Tox21_111095_1 -NCGC00160442-03 196698536 tox21-ror-cho-viability-p1 set1 4 26.6032120037 -16.6805963759 0.5 -16.1805963759 2.3031167061 0.8365746109 0.0033766184 -0.16098411 -0.49936392 -0.47093161 0 -0.95899025 -1.5948647 3.14289139 3.51619872 -0.51616295 0.51844413 0.12065648 2.94696424 -2.14625354 -5.28663798 -12.65049698 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 18493-30-6 71894 170466451 I Metochalcone COc2cc(ccc2C(=O)C=Cc1ccc(OC)cc1)OC Tox21_111813_1 -NCGC00254070-01 196698944 tox21-ror-cho-viability-p1 set1 -2.2 48.5577336745 -40.226039756 0.5 -39.726039756 1.8616924601 0.9844578565 1.1E-8 -1.01782343 1.17325453 2.2608999 -1.05418342 2.09850248 0.63781029 1.22141037 1.36114843 0.32900981 0.46325105 -1.32945905 0.58019211 -5.81792259 -16.17341793 -30.60503313 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 288104-79-0 9849616 144210559 A A Surinabant O=C(NN1CCCCC1)c4nn(c2ccc(Cl)cc2Cl)c(c3ccc(Br)cc3)c4CC Tox21_300239 -NCGC00259628-01 196721410 tox21-ror-cho-viability-p1 set3 4 -4.9709936 -3.85278033 -2.46830022 3.95958653 -0.38923069 -5.93343522 -5.88549761 -4.97880772 -5.50131847 -4.94932103 -6.2311392 -6.2452874 -6.02206592 -3.60887137 -4.72235974 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.558E-8 1.466E-7 3.279E-7 7.3319999999E-7 0.0000016399999999 0.0000036659999999 0.000008198 0.00001833 0.00004099 0.00009165 76738-62-0 616765 144209277 A A Paclobutrazol OC(C(Cc1ccc(Cl)cc1)n2cncn2)C(C)(C)C Tox21_202079 -NCGC00259849-01 196721809 tox21-ror-cho-viability-p1 set3 -2.4 69.0781761974 -30.614827928 -2 -32.614827928 0.9999999999 0.7088576514 0.0343211064 -4.07628498 3.53761019 0.45476114 5.54035721 -5.14851603 -4.21292781 -5.24294591 -4.87490058 -5.57769108 -3.70632966 -4.77976498 -4.65056413 -8.92901751 -9.56813605 -23.84568994 1.187E-9 2.6549999999E-9 5.937E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 836-30-6 13271 144209498 A A 4-Nitro-N-phenylaniline [O-][N+](=O)c2ccc(Nc1ccccc1)cc2 Tox21_202300 -NCGC00258821-01 196722203 tox21-ror-cho-viability-p1 set3 4 27.973820538 14.8958417279 -5.3958417279 9.5 1.4163171 0.7989205579 0.0082228221 -9.91320144 -2.80020809 -4.63981713 -7.20856001 -4.00870664 -3.2139758 -5.52231817 -4.29274174 -5.06909072 -9.29584267 -4.74633099 -2.09192909 0.66432215 3.41526752 7.60598649 1.204E-9 2.693E-9 6.021E-9 1.346E-8 3.011E-8 6.732E-8 1.5049999999E-7 3.366E-7 7.527E-7 0.000001683 0.000003763 0.0000084149999999 0.00001882 0.00004208 0.00009408 101-55-3 7565 144208467 A A p-Bromodiphenyl ether Brc2ccc(Oc1ccccc1)cc2 Tox21_201269 -NCGC00259098-01 196722208 tox21-ror-cho-viability-p1 set3 -2.2 63.9386270414 -71.2883266856 -1.143931252 -72.4322579376 2.5884283767 0.938481914 0.0000258521 -1.31391836 -3.05871015 1.74732418 2.48332293 2.62586381 1.84158026 -0.57134262 -6.11305306 -6.27369094 6.56638984 -2.20843486 -6.66465044 -4.71897668 -19.05996564 -54.87292268 1.2249999999E-9 2.739E-9 6.125E-9 1.37E-8 3.063E-8 6.848E-8 1.531E-7 3.4239999999E-7 7.6559999999E-7 0.0000017119999999 0.000003828 0.00000856 0.00001914 0.0000428 0.000095709999999 140-72-7 8816 144208747 A A Cetylpyridinium bromide [Br-].CCCCCCCCCCCCCCCC[n+]1ccccc1 Tox21_201549 -NCGC00259799-01 196722209 tox21-ror-cho-viability-p1 set3 4 3.45915226 0.21815114 3.23083009 -1.19394539 2.1338917 -15.70349346 1.02398929 0.96119771 1.18760174 2.10489867 1.29952885 0.29460571 1.36721893 1.93671469 8.11781586 1.165E-9 2.6039999999E-9 5.824E-9 1.302E-8 2.912E-8 6.5109999999E-8 1.456E-7 3.256E-7 7.28E-7 0.000001628 0.00000364 0.000008139 0.0000182 0.00004069 0.000090999999999 10265-92-6 4096 144209448 A A Methamidophos NP(=O)(OC)SC Tox21_202250 -NCGC00090885-03 196722215 tox21-ror-cho-viability-p1 set3 4 -10.92582793 -9.43760776 -8.34989092 3.20833578 -4.72330921 -8.85626657 -11.89693346 -9.77858623 -17.41382314 -11.77337181 -11.89334384 -8.96523314 -7.38857428 -2.24063679 -2.47675393 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00253672-01 196722626 tox21-ror-cho-viability-p1 set3 4 0.0006682425 9.591440628 -7.591440628 2 4.9549173134 0.3849181841 0.2904165566 -5.49286719 6.86505537 1.07985431 0.07104284 0.68367009 3.33246292 -0.1452872 1.83391902 5.13976355 1.29755337 0.90315906 0.30937299 -1.88685312 3.27699661 2.54312233 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 42399-49-5 2733673 170466764 A A (2S,3s)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5h)-one COc1ccc(cc1)[C@@H]2Sc3ccccc3NC(=O)[C@@H]2O Tox21_113796 -NCGC00256433-01 196726946 tox21-ror-cho-viability-p1 set3 4 -0.50873848 -6.29304699 -0.08006349 -0.5177356 -0.34632353 0.50228987 2.17933508 -0.09386499 0.29164945 0.65923748 -12.3656145 -0.78330903 2.16022523 1.34813729 0.66638746 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-53-9 8400 144213107 A A Benzoin OC(C(=O)c1ccccc1)c2ccccc2 Tox21_302790 -NCGC00255187-01 196726879 tox21-ror-cho-viability-p1 set3 4 7.35909976 3.5127027 2.53234219 3.15568411 1.33972148 1.78805758 1.68330782 4.54102782 1.39659156 1.16304345 6.13132061 4.30621652 1.90984435 6.83734322 -2.37651075 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68-22-4 6230 144212744 A A Norethindrone O=C4CC[C@H]3C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@@]1(O)C#C)=C4 Tox21_302427 -NCGC00256821-01 196727277 tox21-ror-cho-viability-p1 set3 4 2.24744349 0.87107782 0.48323059 2.1754403 0.60243368 0.31217889 3.09600885 0.1444144 1.00797716 0.95876241 1.20634745 3.23873114 0.36161397 1.06198771 2.28965823 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 64275-73-6 5352837 144212919 A A (Z)-5-Octen-1-ol CC\C=C/CCCCO Tox21_302602 -NCGC00256740-01 196727286 tox21-ror-cho-viability-p1 set3 -2.2 48.5577336745 -42.658964144 0.5 -42.158964144 1.8616924601 0.9825883419 2.13E-8 -0.85882097 1.0928665 0.67389529 1.04370588 2.04249896 -0.86147235 1.07553773 0.26318177 0.21656145 -0.51230978 3.15743225 0.20659245 -6.82682562 -16.47284601 -32.63247012 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 30124-94-8 121639 144212827 A Ac Disperse Red 82 CC(=O)OCCN(CCOC(C)=O)c2ccc(/N=N/c1ccc(cc1C#N)[N+]([O-])=O)cc2 Tox21_302510 -NCGC00166203-02 196726108 tox21-ror-cho-viability-p1 set3 4 -1.91971042 -6.05294302 -3.87759634 -2.26636184 -5.9894751 -2.61117993 3.72427974 3.54096071 -1.14766315 -8.03714093 3.68789441 -4.7577663 2.56152032 -7.70778239 -7.33633293 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1715-40-8 15583 170466531 F Bromociclen ClC2(Cl)C1(Cl)CC(CBr)C2(Cl)C(Cl)=C1Cl Tox21_112345_1 -NCGC00185744-02 196726120 tox21-ror-cho-viability-p1 set3 4 -1.65465724 -7.23078644 -7.06327782 -0.47918326 7.27628539 12.0282784 -5.49679194 -3.81685703 10.93143438 9.16518207 0.61551497 16.36293681 1.49024854 -5.04769113 -6.11453469 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2508-79-4 17276 170466856 A Methyldopate hydrochloride Cl.Oc1ccc(C[C@](C)(N)C(=O)OCC)cc1O Tox21_110525_1 -NCGC00163724-03 196726933 tox21-ror-cho-viability-p1 set3 -2.4 61.130564862 -27.069780244 -1.5 -28.569780244 1.826479391 0.6857114277 0.0448882422 1.43426721 -5.47429034 -1.76796992 -0.53619485 -6.13840712 -6.68273588 -0.74540281 3.08857767 3.02113874 -0.32132694 3.46313472 -6.57751103 -5.3409165 -8.43604505 -20.47481687 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00257326-01 196727353 tox21-ror-cho-viability-p1 set3 4 1.9331181962 -9.7809165079 0 -9.7809165079 4.9549173134 0.635723963 0.0729808133 -1.92283697 -0.05716616 0.56903573 0.25810959 0.46017351 2.52806067 -1.25802939 1.2491542 -1.75914184 -1.40163302 -18.98409709 -5.40230492 -4.49522566 -7.21286692 -13.04019615 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_48507 60196436 144213661 A A PharmaGSID_48507 Cl.CC(C)(O)CNc1ncc3c(n1)N(C)C(=O)C=C3Oc2ccc(F)cc2F Tox21_303344 -NCGC00256910-01 196727350 tox21-ror-cho-viability-p1 set3 4 0.0243365162 -5.1203860599 3.5 -1.6203860599 4.9549173134 0.4116820696 0.2631337186 0.00681909 7.8392799 -1.19527271 6.96983182 -1.45040002 -1.91064223 -0.8754386 -0.6012597 0.62269289 -0.10747823 -0.0846075 -4.68365505 -2.40796403 -4.43691727 -0.79156183 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4265-16-1 61341 144212765 A F 2-Benzofurancarboxaldehyde O=Cc1cc2ccccc2o1 Tox21_302448 -NCGC00256832-01 196727770 tox21-ror-cho-viability-p1 set3 4 -0.57860429 0.31627701 0.39351944 -1.9896417 -1.68135858 1.85596115 -1.1395486 1.22007144 -0.44827639 -1.7460883 0.67182849 -2.70976006 0.3450389 -0.95035639 -1.54127379 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65894-82-8 5362564 144212776 F F 2-(2-Butyl)-4,5-dimethyl-3-thiazoline CC1=NC(SC1C)C(C)CC Tox21_302459 -NCGC00256763-01 196727775 tox21-ror-cho-viability-p1 set3 4 0.0249630096 3.982201988 -2.482201988 1.5 4.9549173134 0.3487627477 0.3259352794 -0.61986375 -2.34709898 1.14409676 -7.90183499 0.62358046 0.58632608 2.48201262 0.83949111 1.45551114 2.96326567 0.84456935 -2.34294425 0.7359334 2.05337962 2.72603715 1.095E-9 2.447E-9 5.473E-9 1.2239999999E-8 2.7359999999E-8 6.119E-8 1.368E-7 3.059E-7 6.841E-7 0.00000153 0.00000342 0.0000076479999999 0.0000171 0.00003824 0.00008551 7549-33-9 61417 144212871 D A Anisyl propionate COc1ccc(COC(=O)CC)cc1 Tox21_302554 -NCGC00255856-01 196728186 tox21-ror-cho-viability-p1 set3 -3 76.6458749207 -129.6935354976 20.5312820431 -109.1622534545 4.9549173134 0.5062577498 0.1721977841 0.25935914 0.46242011 0.50795202 0.92692974 -0.70116953 -0.16709686 6.4612114 5.74112303 13.48752906 27.502737 67.45184159 60.70894026 65.81263561 39.7909979 -84.6317291 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004107 0.00009184 1541-67-9 352309 144211846 A A Lauryldiethanolamine OCCN(CCCCCCCCCCCC)CCO Tox21_301529 -NCGC00259114-01 196706268 tox21-ror-cho-viability-p1 set1 4 -7.15982283 -12.2160686 -11.79935433 -13.49579916 -13.17408378 -6.76335334 -10.776501 -7.06079547 -5.52206032 -11.31835458 -5.18489119 -11.06564558 -1.44687433 -8.56281484 -6.3783561 1.165E-9 2.605E-9 5.8259999999E-9 1.303E-8 2.9129999999E-8 6.514E-8 1.457E-7 3.2569999999E-7 7.2829999999E-7 0.000001628 0.000003641 0.000008142 0.00001821 0.00004071 0.00009103 58-93-5 3639 144208763 A A Hydrochlorothiazide NS(=O)(=O)c2cc1c(NCNS1(=O)=O)cc2Cl Tox21_201565 -NCGC00257216-01 196707496 tox21-ror-cho-viability-p1 set1 4 27.3060203028 12.018472088 -1.018472088 11 4.9549173134 0.7642127578 0.0208450792 -3.34872674 -0.098542 0.13973192 -0.61415326 0.61786037 -2.8198847 -0.14985977 -1.15279298 -0.68221674 -2.20886092 1.8115918 -2.20671004 -3.13487548 11.66890689 1.00663782 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-91-6 7729 144213376 F Fns 4-Nitrosophenol O=Nc1ccc(O)cc1 Tox21_303059 -NCGC00256896-01 196707497 tox21-ror-cho-viability-p1 set1 4 3.20458723 3.09843801 3.62234508 0.3457036 3.34843547 2.73498581 1.16133945 5.00686768 6.67239335 4.66207076 5.34830379 0.10282626 4.55614043 0.18121993 7.73294564 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-42-2 61027 144212878 A F Butyl undec-10-enoate O=C(CCCCCCCCC=C)OCCCC Tox21_302561 -NCGC00256981-01 196707506 tox21-ror-cho-viability-p1 set1 4 30.6378586933 23.482135144 -7.482135144 16 0.7999999999 0.6965638426 0.0397202881 -1.96199087 -7.08999331 -7.71321691 -6.59915858 -12.13257077 -6.74308434 -2.24478277 -8.93521297 -12.48511262 -8.52206644 0.80572921 1.21723048 0.62942798 2.06629907 12.26701882 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 2386-87-0 16949 144213629 I I UT-632 O=C(OCC1CC2OC2CC1)C3CCC4OC4C3 Tox21_303312 -NCGC00258837-01 196706264 tox21-ror-cho-viability-p1 set1 4 -12.93205056 -6.21914368 -11.30320114 -8.41124904 -9.3265194 -3.85217564 -9.66659439 -4.94871039 -5.62555567 -8.60931623 6.11784918 -11.01558957 -9.0318212 -17.33522145 -13.82089829 1.1989999999E-9 2.68E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.701E-8 1.4979999999E-7 3.351E-7 7.492E-7 0.000001675 0.000003746 0.0000083759999999 0.00001873 0.00004188 0.00009365 131-56-6 8572 144208483 A A 2,4-Dihydroxybenzophenone O=C(c1ccc(O)cc1O)c2ccccc2 Tox21_201285 -NCGC00259212-01 196706265 tox21-ror-cho-viability-p1 set1 -2.2 43.0571658618 -35.18253882 0 -35.18253882 2.4063783767 0.7111764152 0.0332400519 5.43749404 9.15113739 2.19490209 -6.80373263 -5.34959373 -1.25897237 0.35523291 6.88220971 -0.80223919 -10.49751629 -6.82070195 3.23400034 -1.3609927 -17.31719789 -30.56878235 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.9369999999E-8 6.568E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.000003672 0.00000821 0.000018359999999 0.000041049999999 0.00009179 62-75-9 6124 144208861 AC A N-Nitrosodimethylamine CN(C)N=O Tox21_201663 -NCGC00259207-01 196706266 tox21-ror-cho-viability-p1 set1 4 -0.16895904 -0.31854435 -2.28597667 -10.68529875 -0.17083814 2.2733142 -0.18776992 -8.33513323 6.2070464 -7.42694791 0.78730816 0.4124466 2.44881823 1.67892396 -1.47307662 1.1689999999E-9 2.614E-9 5.845E-9 1.3069999999E-8 2.9229999999E-8 6.535E-8 1.461E-7 3.268E-7 7.3069999999E-7 0.0000016339999999 0.000003653 0.000008169 0.00001827 0.00004084 0.00009133 78-70-6 6549 144208856 A A Linalool CC(O)(C=C)CC\C=C(\C)C Tox21_201658 -NCGC00259789-01 196706270 tox21-ror-cho-viability-p1 set1 4 1.68375204 1.66606075 -7.07301513 -8.06182976 3.76010287 -1.10467788 -2.79301732 -8.65317859 -1.78802079 0 -4.37994164 2.94510565 -4.69072764 -3.57046309 0.39653621 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.000092909999999 86386-73-4 3365 144209438 A A Fluconazole OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F Tox21_202240 -NCGC00259957-01 196706278 tox21-ror-cho-viability-p1 set1 4 6.75330012 5.43808455 0.00658339 2.1082871 1.34206324 -0.25609152 0.4694537 -3.88416631 -0.813426 11.91708304 -0.16598946 0.92213077 0.147983 0.40914571 5.21567874 1.19E-9 2.66E-9 5.949E-9 1.3299999999E-8 2.975E-8 6.6509999999E-8 1.487E-7 3.326E-7 7.436E-7 0.000001663 0.000003718 0.000008314 0.00001859 0.00004157 0.00009295 107-88-0 7896 144209606 A A 1,3-Butanediol CC(O)CCO Tox21_202408 -NCGC00164127-03 196706287 tox21-ror-cho-viability-p1 set1 -2.1 61.130564862 -110.1193758979 3.0163562255 -107.1030196724 3.6272481694 0.9676612231 7.423E-7 5.69631489 5.58938771 6.06287119 3.44283678 0.93864382 1.45651807 2.29142735 0.15252107 5.33587632 12.59724974 0.69043542 -7.4884933 -0.14942288 -16.53534897 -87.07562575 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00259941-01 196706680 tox21-ror-cho-viability-p1 set1 4 26.5856308782 -13.797254332 3.5 -10.297254332 0.8099999999 0.6840104609 0.0460945862 6.1987778 6.89647009 3.8848878 5.2161664 2.33748572 -0.6979312 1.81277501 0.77806276 5.45965936 0 0.38274988 0.99845585 0.35477311 -6.91437861 -6.76287062 1.154E-9 2.5809999999E-9 5.772E-9 1.291E-8 2.886E-8 6.453E-8 1.443E-7 3.227E-7 7.215E-7 0.0000016129999999 0.000003608 0.000008067 0.000018039999999 0.000040329999999 0.000090189999999 2227-13-6 16685 144209590 A Ac Tetrasul Clc2cc(Sc1ccc(Cl)cc1)c(Cl)cc2Cl Tox21_202392 -NCGC00259007-01 196706682 tox21-ror-cho-viability-p1 set1 -3 69.5673070586 -91.9532176439 5.7129217994 -86.2402958445 4.9549173134 0.9493906298 0.000008979 9.14795609 9.04150598 3.96841507 7.9625525 -0.37237154 3.47406568 -1.17711126 1.83429965 7.5557621 16.61388264 5.02469367 4.21414595 2.64281455 1.28361407 -69.12768137 1.194E-9 2.6689999999E-9 5.968E-9 1.3339999999E-8 2.9839999999E-8 6.672E-8 1.4919999999E-7 3.3359999999E-7 7.4599999999E-7 0.000001668 0.00000373 0.00000834 0.00001865 0.0000417 0.00009324 3147-75-9 62485 144208654 A Z Octrizole CC(C)(C)CC(C)(C)c1cc(c(O)cc1)n2nc3ccccc3n2 Tox21_201456 -NCGC00257127-01 196707105 tox21-ror-cho-viability-p1 set1 4 9.8837078 4.28507359 2.80745817 0.43845201 1.86627122 0.12367576 -1.08113702 2.63382189 2.20765862 1.22885429 0.86467882 9.93000882 3.49546791 1.60183962 1.4621368 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-20-9 7488 144213483 F F 1,4-Benzenedicarbonyl dichloride O=C(Cl)c1ccc(cc1)C(Cl)=O Tox21_303166 -NCGC00258266-01 196716091 tox21-ror-cho-viability-p1 set2 4 0.09659099 -0.90236058 -0.46393993 -0.8352374 0.27357902 -2.34160751 -2.30406212 -1.34898548 -0.02547552 -2.0695102 0.47507319 -2.9055456 -3.10603319 -0.60419202 -0.69752405 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 97-39-2 7333 144207910 A A 1,3-Bis(2-methylphenyl)guanidine Cc2ccccc2NC(=N)Nc1ccccc1C Tox21_200712 -NCGC00258056-01 196716103 tox21-ror-cho-viability-p1 set2 4 2.81458782 1.67536676 0.30832386 1.48941199 -0.40578409 1.85490929 1.01851141 1.31371665 2.01232956 -0.00514762 3.05565911 0.29767728 -0.64376715 0.79443134 0.05157286 1.2069999999E-9 2.6979999999E-9 6.034E-9 1.349E-8 3.017E-8 6.746E-8 1.5079999999E-7 3.373E-7 7.5419999999E-7 0.0000016859999999 0.0000037709999999 0.000008432 0.00001886 0.000042159999999 0.00009428 55-22-1 5922 144207700 A A Isonicotinic acid O=C(O)c1ccncc1 Tox21_200502 -NCGC00257578-01 196716093 tox21-ror-cho-viability-p1 set2 4 31.2933176752 8.163292008 -1.163292008 7 3.1319983358 0.3360168817 0.3535791362 3.77065725 -1.263613 -3.0922604 -0.11450447 0.04022806 -0.65946044 -5.55274334 -0.95603884 -0.65845223 -1.11477017 -5.23002792 0.5655365 0.12208846 4.81443394 0.85138033 1.2009999999E-9 2.686E-9 6.007E-9 1.3429999999E-8 3.003E-8 6.716E-8 1.5019999999E-7 3.358E-7 7.509E-7 0.000001679 0.000003754 0.0000083949999999 0.000018769999999 0.00004197 0.00009386 78-84-2 6561 144207222 FC 2-Methylpropanal CC(C)C=O Tox21_200024 -NCGC00257729-01 196716097 tox21-ror-cho-viability-p1 set2 4 3.80278713 4.32056229 2.15266545 5.91016266 5.00454925 4.47325893 3.79879907 4.87700349 2.65447001 2.24521006 2.78687514 5.04892336 4.96445143 3.8912732 2.30417362 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 99-48-9 7438 144207373 I I Carveol CC(=C)C1CC=C(C)C(O)C1 Tox21_200175 -NCGC00257897-01 196716104 tox21-ror-cho-viability-p1 set2 4 -0.02174293 0.06142682 -4.94095104 -3.76105463 -2.71426995 -2.24783103 1.48495513 1.39177972 -4.21604053 -4.345644 -0.51091459 -0.81309572 -2.40864057 1.7230523 -3.29123875 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.315E-8 2.94E-8 6.573E-8 1.4699999999E-7 3.2869999999E-7 7.3489999999E-7 0.000001643 0.000003674 0.0000082159999999 0.00001837 0.00004108 0.000091859999999 619-80-7 12091 144207541 A A 4-Nitrobenzamide O=[N+]([O-])c1ccc(cc1)C(N)=O Tox21_200343 -NCGC00257946-01 196716113 tox21-ror-cho-viability-p1 set2 4 0.0300778891 4.202739152 -2.202739152 2 2.7202212143 0.5058383508 0.1768996643 -0.61922527 -1.47700506 -5.58561596 -0.64647752 -0.90474431 3.0181551 -0.95678426 4.08847533 2.73274805 1.02843167 0.5851945 -0.56340914 2.96114673 2.67142543 4.67026902 1.162E-9 2.599E-9 5.812E-9 1.2999999999E-8 2.9059999999E-8 6.4979999999E-8 1.453E-7 3.249E-7 7.265E-7 0.000001624 0.000003632 0.000008122 0.00001816 0.00004061 0.000090809999999 594-18-3 11659 144207590 Dibromodichloromethane BrC(Br)(Cl)Cl Tox21_200392 -NCGC00257849-01 196716508 tox21-ror-cho-viability-p1 set2 4 13.8386623726 11.8289102479 -1.3289102479 10.5 3.1319983358 0.7947568523 0.0124217886 -1.84180116 -0.548168 -3.31781055 -4.44075854 0.79477854 0.97715635 -0.0763087 -1.29715673 -0.84568489 -2.80747108 1.85039013 -1.5865787 8.33235145 9.67074663 3.26815686 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.33E-7 7.445E-7 0.000001665 0.0000037229999999 0.000008324 0.00001861 0.00004162 0.00009306 15121-84-3 27054 144207493 A A 2-(2-Nitrophenyl)ethanol O=[N+]([O-])c1ccccc1CCO Tox21_200295 -NCGC00258651-01 196716514 tox21-ror-cho-viability-p1 set2 4 49.3295401628 -12.903525076 1 -11.903525076 1.0999999999 0.6188463904 0.084692826 4.61142338 1.90202351 1.17742552 0.31909015 1.81159302 2.95286312 1.29750227 0.60841306 0.14887965 -6.49039632 0.70401387 0.24848838 -0.74907791 -5.28276725 -9.91960423 1.3159999999E-9 2.942E-9 6.5779999999E-9 1.471E-8 3.289E-8 7.355E-8 1.645E-7 3.677E-7 8.2229999999E-7 0.0000018389999999 0.000004112 0.000009194 0.000020559999999 0.000045969999999 0.00010279999999 25155-23-1 33133 144208297 A C TXP Cc1cc(cc(C)c1)OP(=O)(Oc2cc(C)cc(C)c2)Oc3cc(C)cc(C)c3 Tox21_201099 -NCGC00258637-01 196716526 tox21-ror-cho-viability-p1 set2 4 4.73482366 2.43440186 4.44296982 2.50779394 4.42588576 3.18365661 -0.27290703 3.35822221 -0.18108368 1.86856092 5.65154646 2.55585591 1.80617196 1.62929544 0.07722529 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.314E-8 2.9369999999E-8 6.568E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.000003672 0.00000821 0.000018359999999 0.000041049999999 0.00009179 645-00-1 12574 144208283 A A 1-Iodo-3-nitrobenzene Ic1cccc(c1)[N+](=O)[O-] Tox21_201085 -NCGC00258129-01 196716528 tox21-ror-cho-viability-p1 set2 4 -0.82173334 -1.59962619 0.1103912 -1.92194247 -0.63983484 -0.25917251 0.55328217 -0.92003833 0.01401706 -0.26246267 -2.15625676 -1.46225626 -1.57349472 -3.80883071 -1.16548718 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 344774-05-6 16218739 144207773 B B Triisobutylmethylphosphonium tosylate Cc1ccc(cc1)S(=O)([O-])=O.CC(C)C[P+](C)(CC(C)C)CC(C)C Tox21_200575 -NCGC00258603-01 196716531 tox21-ror-cho-viability-p1 set2 4 68.3804186691 -18.097572844 2 -16.097572844 4.9549173134 0.8506239868 0.0022466288 5.07914941 2.11546598 2.83627513 1.95878161 -0.26060569 2.16691249 0.66131677 1.96884927 1.03007475 3.57949477 -0.82859914 -0.26372374 1.60365581 1.68207518 -12.99797737 1.177E-9 2.6319999999E-9 5.886E-9 1.316E-8 2.943E-8 6.5809999999E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.000003679 0.000008226 0.00001839 0.00004113 0.000091969999999 1623-08-1 74189 144208248 A A Dibenzyl phosphate O=P(O)(OCc1ccccc1)OCc2ccccc2 Tox21_201050 -NCGC00160615-03 196716944 tox21-ror-cho-viability-p1 set2 4 -2.30718358 -3.41265888 -7.15559296 -3.99598067 -1.60339728 -0.12452625 -0.56423092 -10.51582658 -3.25069677 -7.33713863 -0.40467919 0.17524943 -3.75351992 0.44390952 -1.16662389 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 126-14-7 31340 170465525 F Sucrose octaacetate CC(=O)O[C@H]1[C@H](O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)O[C@]2(COC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O Tox21_111938_1 -NCGC00263652-01 196717340 tox21-ror-cho-viability-p1 set2 4 0.421632496 -4.797147808 4.5 -0.297147808 2.4063783767 0.4527836386 0.2412800364 0.3279571 -0.21431971 7.1501352 5.39063351 2.78564437 4.15230138 9.35280187 6.40864733 1.73553464 0.0820421 -0.14375192 -0.4048632 -0.66428984 -0.40968705 2.31500797 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 85371-64-8 55329 170465261 A Pinacidil monohydrate O.CC(C)(C)C(C)N/C(Nc1ccncc1)=N\C#N Tox21_110954_1 -NCGC00159522-05 196698129 tox21-ror-cho-viability-p1 set1 4 0.118832183 3.343013752 -0.343013752 3 4.9549173134 0.4552571709 0.22454531 1.79902629 -4.45251146 -0.04653927 -0.59901522 0.69662483 0.34375485 -1.53321959 3.00795766 2.70863044 4.20754706 6.00492981 1.80607509 2.39722395 0.6610951 1.12012008 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15686-71-2 27447 170464982 C Cephalexin CC=3CS[C@H]2N(C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C=3C(=O)O Tox21_111740_1 -NCGC00253691-01 196697729 tox21-ror-cho-viability-p1 set1 4 0.82616748 -4.88356337 -1.05359008 -4.34589807 -5.02930721 -1.23152858 2.16952523 1.0993925 -0.10802113 1.86631687 1.94247495 0.61585306 -0.14864504 -2.85622712 -4.96850895 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 114-91-0 66991 170466612 A Ac Metyridine COCCc1ccccn1 Tox21_113813 -NCGC00095303-04 196697732 tox21-ror-cho-viability-p1 set1 -1.2 1.6785492 -43.8502445291 3.3520952044 -40.4981493247 1.4641 0.9379017711 0.0000271681 2.09433694 1.6637114 3.84966101 1.02312074 3.67363977 1.8167951 4.81166135 0.76178266 2.80132059 -4.96182198 -23.90972814 -38.26557273 -28.61300933 -32.20733782 -48.14643456 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 130-16-5 2817 170465523 A Cloxyquin Oc1ccc(Cl)c2cccnc12 Tox21_111501_1 -NCGC00159369-04 196698125 tox21-ror-cho-viability-p1 set1 4 -2.46550652 4.54882042 -2.93722176 0.18721949 -2.66678835 -3.23758759 0.56200789 2.51414019 0.25636919 -1.10525498 0.596611 3.24783056 3.38335407 0.54033662 -1.71977845 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112-92-5 8221 170465526 F 1-Octadecanol CCCCCCCCCCCCCCCCCCO Tox21_111610_1 -NCGC00179665-04 196698135 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -19.330837428 2 -17.330837428 4.5044702849 0.6444283988 0.0677467822 0.30023021 -0.2337302 4.89597267 -0.30258805 2.49202476 0.00671681 4.01875022 5.82163063 0.77371603 5.22188927 1.61135137 7.76624697 -4.23548629 0.55864691 -13.60903119 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17230-88-5 28417 170464884 A Danazol C#C[C@]3(O)CC[C@H]2[C@@H]4CCC1=Cc5oncc5C[C@]1(C)[C@H]4CC[C@@]23C Tox21_112114_1 -NCGC00015199-20 196698140 tox21-ror-cho-viability-p1 set1 -3 29.8492948118 -35.9095737919 1.5 -34.4095737919 4.9549173134 0.9375711632 0.0000280656 -5.27810314 2.77069459 1.6591569 0.25993861 2.79706054 2.51677618 0.78401743 0.11812181 1.38196986 1.19933846 3.28809279 4.02981922 1.4282672 -3.69660535 -30.75797816 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 305-03-3 2708 170464770 A Chlorambucil O=C(O)CCCc1ccc(cc1)N(CCCl)CCCl Tox21_110096_1 -NCGC00160681-03 196698141 tox21-ror-cho-viability-p1 set1 4 0.89175215 -3.55027405 0.86401191 0.23236491 3.81122375 0.05978461 -1.78481444 -0.04853914 3.0875382 0.07315342 1.13223435 -3.73490039 0.15826105 3.60022697 1.15402724 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-12-2 7174 170466186 A Risocaine Nc1ccc(cc1)C(=O)OCCC Tox21_111984_1 -NCGC00090910-03 196698998 tox21-ror-cho-viability-p1 set1 4 -0.74067766 -1.78595448 -1.51853399 0.07471258 0.15434958 0.02205948 0.02774859 -0.61771931 -0.51816369 0.13541912 -1.38690807 4.81915874 0.62022045 5.60707885 0.30802755 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00254396-01 196698992 tox21-ror-cho-viability-p1 set1 4 3.98496883 2.55714196 2.23754589 0.53868354 1.20138077 5.9937851 8.58835985 1.77550036 4.10518424 2.6189546 3.2278915 4.50004705 2.62438329 4.5054674 8.75011245 1.144E-9 2.559E-9 5.7219999999E-9 1.2789999999E-8 2.861E-8 6.397E-8 1.4299999999E-7 3.199E-7 7.1519999999E-7 0.0000015989999999 0.0000035759999999 0.000007996 0.000017879999999 0.000039979999999 0.0000894 486-56-6 854019 144210932 A A Cotinine CN2C(=O)CC[C@H]2c1cnccc1 Tox21_300615 -NCGC00254655-01 196698993 tox21-ror-cho-viability-p1 set1 4 0.2021480007 4.6049243239 -1.1049243239 3.5 4.0949729863 0.6424110261 0.0704647937 -3.18631418 0.33744255 0.36044386 0.04324058 -3.42077027 0.1535821 2.09094214 2.03742478 4.62203056 4.26145834 1.47152488 3.74430762 3.12572754 1.56290489 6.65057086 2.1779999999E-9 4.87E-9 1.089E-8 2.435E-8 5.444E-8 1.2169999999E-7 2.7219999999E-7 6.087E-7 0.000001361 0.000003044 0.000006806 0.00001522 0.00003403 0.00007609 0.0001701 504-63-2 10442 144211067 A A 1,3-Propanediol OCCCO Tox21_300750 -NCGC00254979-01 196698995 tox21-ror-cho-viability-p1 set1 4 2.3816493 0.56079526 -1.97394496 3.54146553 2.26005281 0.6880138 3.00040279 7.20059429 -0.0030061 -2.37770758 0.07902697 0.04878888 3.96797578 1.21496053 7.35932172 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 141-66-2 5371560 144211395 A A Dicrotophos O=P(OC)(OC)OC(\C)=C\C(=O)N(C)C Tox21_301078 -NCGC00254246-01 196699399 tox21-ror-cho-viability-p1 set1 4 -4.28085459 -5.31221599 -4.98120802 -0.50116723 1.05957697 2.39101353 -5.29832525 -2.24572381 -3.50924839 -1.77294022 -4.30879052 -1.81960757 -4.58787292 2.089815 0.42274135 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-94-3 7270 144210823 1,2,4,5-Tetrachlorobenzene Clc1cc(Cl)c(Cl)cc1Cl Tox21_300505 -NCGC00254809-01 196699412 tox21-ror-cho-viability-p1 set1 -1.2 21.6899429044 -29.43274906 -2 -31.43274906 4.9549173134 0.9296778336 0.0000527283 -6.70229149 -4.54342738 -5.97672415 0.0460676 -2.79225564 -4.13724799 3.17427267 -0.72786258 1.73665992 1.09953207 -3.65703821 -1.51026253 -10.75200114 -29.53085147 -32.44395755 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-30-2 6931 144211222 A A 3-Trifluoromethyl-4-nitrophenol O=[N+]([O-])c1ccc(O)cc1C(F)(F)F Tox21_300905 -NCGC00254142-01 196699414 tox21-ror-cho-viability-p1 set1 4 -0.02932273 4.58503216 6.85109728 2.37548771 0.37794482 0.39000841 3.9455758 5.44197618 0.704531 3.55698062 5.67131894 1.13330881 8.27717687 3.11497271 4.60094112 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-54-1 7338 144210623 D Isoeugenol Oc1ccc(cc1OC)C=CC Tox21_300303 -NCGC00258184-01 196729436 tox21-ror-cho-viability-p1 set3 2.4 34.4112047096 23.706122116 0.293877884 24 1.692447691 0.8572481132 0.0018024256 2.08117598 -0.57973205 1.74270629 0.88307418 1.03004683 2.19711067 1.75102349 2.13177427 -2.67176843 -1.72706499 0.72733619 -1.15232929 11.19703369 10.02762797 21.82361226 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.954E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3839999999E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.0000923 223437-05-6 25171607 144207828 Ac 1-Methyl-1-propylpyrrolidinium bis(trifluoromethylsulfonyl)imide C[N+]1(CCC)CCCC1.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F Tox21_200630 -NCGC00255144-01 196729029 tox21-ror-cho-viability-p1 set3 4 -2.56203818 -0.41183782 -1.70412419 -5.70916635 -4.09084073 -4.78182692 -3.18031524 -4.33188385 -0.16744333 -4.08733311 -6.41603136 -6.36149363 -8.67156327 -4.77855276 0.81458139 1.144E-9 2.559E-9 5.7219999999E-9 1.2789999999E-8 2.861E-8 6.397E-8 1.4299999999E-7 3.199E-7 7.1519999999E-7 0.0000015989999999 0.0000035759999999 0.000007996 0.000017879999999 0.000039979999999 0.0000894 7779-27-3 24512 144211939 Ac Ac 1,3,5-Triethylhexahydro-s-triazine CCN1CN(CN(CC)C1)CC Tox21_301622 -NCGC00255623-01 196729031 tox21-ror-cho-viability-p1 set3 4 -4.48019418 9.85742243 -0.76823931 3.41785249 4.0777449 -4.69675509 -3.62098574 8.10287334 -4.26338072 -0.25402365 3.13497921 -2.13351386 1.92007052 0.52709242 3.01486013 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1569-02-4 15287 144212148 Fns 1-Ethoxy-2-propanol CC(O)COCC Tox21_301831 -NCGC00255781-01 196729034 tox21-ror-cho-viability-p1 set3 4 -0.00759891 0.24231962 2.39202674 -0.36213442 2.86374328 -3.00662685 2.40058757 3.65394567 3.051238 -2.15569784 -3.04353418 -3.61372056 -2.94945127 -0.1387995 1.23807377 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1131-18-6 70801 144212262 A A 3-Methyl-1-phenyl-1H-pyrazol-5-amine Nc2cc(C)nn2c1ccccc1 Tox21_301945 -NCGC00258091-01 196729440 tox21-ror-cho-viability-p1 set3 4 -0.35536642 -0.31680553 0.21990979 -1.48242467 0.21264525 0.24620277 -1.11005567 -0.79439136 -1.11107638 -0.36048668 1.68717928 1.1647285 -0.90217425 0.17511778 -0.27417193 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.397E-7 0.0000016539999999 0.0000036979999999 0.0000082699999999 0.000018489999999 0.00004135 0.000092459999999 638-53-9 12530 144207735 Ac Ac Tridecanoic acid O=C(O)CCCCCCCCCCCC Tox21_200537 -NCGC00255465-01 196728699 tox21-ror-cho-viability-p1 set3 4 0 1.57491294 -2.5923219 -3.43434449 -0.47198371 -1.25162753 6.48222457 -3.85233158 -3.25969547 -5.41507882 6.66330861 -4.38517745 -5.8436673 -2.48537362 -5.4440199 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 41814-78-2 39040 144212736 A A 2,7,8,9-Tricyclazole Cc1cccc2sc3nncn3c12 Tox21_302419 -NCGC00255361-01 196728686 tox21-ror-cho-viability-p1 set3 4 6.1130564862 12.0897952039 -3.5897952039 8.5 4.9549173134 0.4469958028 0.2268969942 -1.03602997 -4.01568837 4.55696915 -3.32040244 -10.17219381 3.67519306 -9.01697782 -4.12754956 3.85314704 -10.13034577 -12.15816267 11.36090407 0.87898824 12.35722475 8.37312296 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81405-85-8 54744 144212535 A A Imazamethabenz O=C1N=C(NC1(C)C(C)C)c2cc(C)ccc2C(=O)OC Tox21_302218 -NCGC00257537-01 196728692 tox21-ror-cho-viability-p1 set3 4 2.36602934 2.53340902 0.891327 -0.68367881 -0.29606926 4.50840835 3.55933358 -0.6492419 2.80634485 2.61983161 2.98484836 -1.30724184 3.10545015 4.46587719 5.29168207 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 640-19-7 12542 144211614 A A 2-Fluoroacetamide FCC(N)=O Tox21_301297 -NCGC00255959-01 196728694 tox21-ror-cho-viability-p1 set3 4 3.02921033 7.10916612 -1.23280451 -9.22208712 -2.13833811 -5.78614961 4.3752027 -6.93874967 -1.23040599 -9.82803734 -7.81998407 1.61641748 10.88220708 -7.62560184 4.18930446 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 38260-54-7 37995 144211889 F A Etrimfos CCc1nc(OCC)cc(OP(=S)(OC)OC)n1 Tox21_301572 -NCGC00255421-01 196728701 tox21-ror-cho-viability-p1 set3 4 -0.760833 3.24648067 0.26679421 -1.58515759 -1.63248717 -3.04497413 0.71383448 -1.99225896 -1.1508131 -1.4553102 -1.88050238 -4.65820948 -4.29310474 -2.22355922 -0.66682425 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-65-0 32897 144211861 A D 2-((Dimethylamino)methyl)phenol Oc1ccccc1CN(C)C Tox21_301544 -NCGC00256293-01 196729096 tox21-ror-cho-viability-p1 set3 4 27.3060203028 13.007747968 -5.007747968 8 4.9549173134 0.376813655 0.2940568376 -0.7649317 -1.2354402 -2.5706387 -1.27286233 -0.4974254 -12.16680064 -0.72934116 1.95940362 -10.09680744 -13.75645664 -11.28643681 -1.20101662 -8.6073365 11.40458148 4.21811423 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 70693-59-3 116814 144212014 A A 2-Amino-N-cyclohexyl-N-methylbenzenesulfonamide O=S(=O)(N(C)C1CCCCC1)c2ccccc2N Tox21_301697 -NCGC00256145-01 196729100 tox21-ror-cho-viability-p1 set3 4 0.21004831 -2.1833724 0.01928911 0.26162393 1.96350707 3.77323389 6.6545845 3.72231262 6.08464322 2.88397936 2.46744839 1.44037896 0.54515351 0.26936848 2.37884464 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 335104-84-2 11556911 144212699 A A Tembotrione O=C2CCCC(=O)C2C(=O)c1ccc(c(COCC(F)(F)F)c1Cl)S(C)(=O)=O Tox21_302382 -NCGC00257533-01 196729106 tox21-ror-cho-viability-p1 set3 4 5.4482673282 -9.1381799799 3 -6.1381799799 4.9549173134 0.5680575054 0.1213697677 0 -3.60512298 6.53498237 4.57017026 5.34885165 3.76636277 6.7435231 1.81162834 -3.35679717 5.32587317 5.00885604 -8.03181665 -7.14169607 -5.15951589 -3.15627482 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-14-1 757 144211615 A A Glycolic acid O=C(O)CO Tox21_301298 -NCGC00091657-02 196708758 tox21-ror-cho-viability-p1 set2 4 4.12077101 1.15472341 2.18294793 0.68329842 -0.20879065 -1.18324538 0.15600774 2.68816543 -1.31027286 2.73714377 3.16691639 0.65029853 3.46693813 2.91162682 1.37510915 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00256570-01 196708359 tox21-ror-cho-viability-p1 set1 4 3.59757432 -0.60620573 2.39378834 3.31275804 3.10348582 1.93829068 5.12000131 5.70323613 1.68442541 0.24832663 1.83983965 4.83647954 -1.62729263 0.16481938 1.20200468 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 602-87-9 11769 144213194 A A 5-Nitroacenaphthene [O-][N+](=O)c1ccc2CCc3cccc1c23 Tox21_302877 -NCGC00094532-06 196708765 tox21-ror-cho-viability-p1 set2 4 -0.62993689 -0.01776774 3.53055472 0.48006086 0.85367513 3.26371752 1.10901049 4.58995782 2.24395899 7.26442583 4.43498343 4.19221283 -0.03302698 -0.57246239 0.60906513 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00259056-01 196708781 tox21-ror-cho-viability-p1 set2 4 1.37788991 -1.32996631 -0.47454743 -0.85994261 -0.4260205 -2.49629292 -14.89484358 -1.06881835 0.83232858 -0.4201039 -1.37862542 -1.77385645 -4.74079803 3.20752041 0.95331948 1.162E-9 2.598E-9 5.8089999999E-9 1.299E-8 2.9039999999E-8 6.494E-8 1.4519999999E-7 3.247E-7 7.2609999999E-7 0.000001624 0.0000036299999999 0.000008118 0.000018149999999 0.00004059 0.00009076 106-87-6 7833 144208703 A F 4-Vinyl-1-cyclohexene dioxide O1CC1C2CC3OC3CC2 Tox21_201505 -NCGC00259917-01 196708783 tox21-ror-cho-viability-p1 set2 4 1.87639141 2.7012962 3.26454359 4.34540235 2.11804 3.25929092 1.92483147 1.50435384 2.14977495 2.76326895 3.27729843 4.66432758 0.20757214 -0.81105811 2.43626553 1.187E-9 2.6549999999E-9 5.936E-9 1.327E-8 2.968E-8 6.6359999999E-8 1.484E-7 3.318E-7 7.42E-7 0.000001659 0.0000037099999999 0.0000082959999999 0.00001855 0.000041479999999 0.000092749999999 39515-51-0 38284 144209566 A A 3-Phenoxybenzaldehyde O=Cc2cc(Oc1ccccc1)ccc2 Tox21_202368 -NCGC00258882-01 196709194 tox21-ror-cho-viability-p1 set2 4 0.19754183 0.26026273 0.27118104 -2.40231352 6.09988029 4.03265251 0.35600613 0.39666606 0.96115562 0.50066819 0.02932243 0.87850229 2.65045005 5.20315548 4.93623261 1.163E-9 2.5999999999E-9 5.813E-9 1.2999999999E-8 2.9069999999E-8 6.5E-8 1.453E-7 3.25E-7 7.267E-7 0.000001625 0.0000036329999999 0.000008124 0.00001817 0.000040619999999 0.00009083 121-73-3 8489 144208528 BC 1-Chloro-3-nitrobenzene O=[N+]([O-])c1cc(Cl)ccc1 Tox21_201330 -NCGC00259494-01 196709595 tox21-ror-cho-viability-p1 set2 4 0.48541972 1.55201876 0.49862328 -1.00561777 -0.96459663 2.59558748 4.20974023 1.48457704 2.28932202 1.5672841 4.25716262 -0.12521571 0.71636606 -1.84975332 -5.02704143 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.3169999999E-8 2.9459999999E-8 6.587E-8 1.4729999999E-7 3.2929999999E-7 7.364E-7 0.0000016469999999 0.0000036819999999 0.000008234 0.000018409999999 0.00004117 0.00009206 99-55-8 7444 144209143 A A 2-Methyl-5-nitroaniline Cc1ccc(cc1N)[N+]([O-])=O Tox21_201945 -NCGC00091146-04 196710870 tox21-ror-cho-viability-p1 set2 4 1.7228934059 -16.694515264 8 -8.694515264 0.2 0.7312027425 0.02605615 5.4210838 4.76375223 3.82724001 3.63587056 5.31716836 2.38638665 -0.06475241 -1.25839056 -1.27505282 0.29367136 0.66761681 -0.62216898 -1.16135412 -1.0241711 -8.07876272 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00255521-01 196710469 tox21-ror-cho-viability-p1 set2 1.4 0.0024336516 21.373841044 -21.873841044 -0.5 3.0654483358 0.8736546855 0.0010177989 -19.47820087 -10.99734415 2.28877919 -1.4970089 -3.30986739 -0.56189289 1.83716884 0.321309 -0.86204698 -1.22587549 -2.46901971 0.38984514 0.36338663 1.96152446 -4.09440982 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6359-90-6 23675737 144212251 F C.I. Acid Yellow 34, monosodium salt [Na+].[O-]S(=O)(=O)c1ccc(Cl)c(c1)N3N=C(C)C(/N=N/c2ccccc2)C3=O Tox21_301934 -NCGC00255555-01 196710866 tox21-ror-cho-viability-p1 set2 4 -0.33050581 -0.29182695 0.19039256 -1.16838636 2.75637355 -0.05042753 2.20531244 -0.19758431 2.3211236 1.89992853 0.64413518 0.84570029 1.762325 1.60295431 -1.32896389 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 29450-45-1 93128 144212577 A A MCPA-2-ethylhexyl Clc1cc(C)c(OCC(=O)OCC(CC)CCCC)cc1 Tox21_302260 -NCGC00255637-01 196710868 tox21-ror-cho-viability-p1 set2 4 3.29952744 -0.69142962 0.95926855 -1.07046954 2.12826696 0.48492904 2.02529671 0.69304214 -0.59515831 0.11073006 1.98304173 2.20596709 0.60333548 -0.46351089 0.87515131 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-98-2 7034 144212447 A A 4,4'-Dichlorobenzophenone O=C(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_302130 -NCGC00255661-01 196710882 tox21-ror-cho-viability-p1 set2 4 43.2771256911 -25.5618100359 3 -22.5618100359 0.7999999999 0.9143038471 0.0001487237 5.10554145 5.97740784 2.77678469 4.74182888 2.92835685 0.7944966 1.01187903 0.91703523 0.03196686 0.96806908 -0.21587854 -0.68136887 -5.52773568 -8.47415796 -15.46817503 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51803-78-2 4495 144212167 A A Nimesulide [O-][N+](=O)c2cc(Oc1ccccc1)c(cc2)NS(C)(=O)=O Tox21_301850 -NCGC00260628-01 196711287 tox21-ror-cho-viability-p1 set2 4 2.3102299 0.02576233 -0.55727321 0.28470183 2.63371194 1.41525776 -1.21312155 1.98451977 1.44089796 0.91319226 1.52918129 1.1838927 0.38796726 8.2729563 2.80600041 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49524 144210281 M M NTP Mix104 ER1 10-EQC Tox21_203083 -NCGC00257390-01 196719022 tox21-ror-cho-viability-p1 set2 4 -0.53278997 -0.92456921 0.741814 0.71554307 0.83591815 2.68889016 -0.4008936 0.7929318 1.50438215 3.27310183 1.21842356 5.38728063 -0.80987098 6.20433789 0.66472071 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2396-68-1 75454 144213862 Z A 4-tert-Butylbenzenethiol CC(C)(C)c1ccc(S)cc1 Tox21_303557 -NCGC00257288-01 196719009 tox21-ror-cho-viability-p1 set2 4 -1.08901097 -4.473339 1.39474593 -1.20219043 -4.90562598 -8.88740528 -11.58202153 -1.29319721 2.56616381 -3.53207356 0.05820315 -0.42447469 -1.83813552 -2.19754534 -11.64860539 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-40-7 31209 144213903 A F Pentylcinnamaldehyde O=CC(CCCCC)=Cc1ccccc1 Tox21_303598 -NCGC00256387-01 196719011 tox21-ror-cho-viability-p1 set2 4 -1.07255136 -7.55249568 -2.91155231 -2.896215 -11.68114664 -3.01298235 -5.51325765 -9.82821084 -5.63790876 -5.55980492 -4.43235028 1.18601298 -3.43214065 -5.94459182 -4.38241176 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-47-0 7505 144213296 F Benzonitrile N#Cc1ccccc1 Tox21_302979 -NCGC00256968-01 196719018 tox21-ror-cho-viability-p1 set2 4 1.73922268 -2.29040779 -3.64754658 -0.28226813 -13.7205949 -8.41849025 0.07281805 0.18753576 -18.49097024 -10.10274407 -3.16741512 -0.77957821 -1.67349094 -4.02367783 -4.87380944 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 125-31-5 67172 144213379 A F p-Xylenol blue Cc1cc(c(C)cc1O)C3(OS(=O)(=O)c2ccccc23)c4cc(C)c(O)cc4C Tox21_303062 -NCGC00163168-03 196716951 tox21-ror-cho-viability-p1 set2 4 -9.03770303 -10.27927585 -6.47188172 -8.70980587 -0.22579505 -17.1610622 -8.0521476 -5.96341037 -12.35205382 -10.68541684 -9.70923673 -13.38745624 -9.79300093 -8.73103422 -6.79045633 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64795-35-3 68848 170466174 A Mesulergine CN(C)S(=O)(=O)N[C@H]2C[C@@H]3c4cccc1c4c(cn1C)C[C@H]3N(C)C2 Tox21_112023_1 -NCGC00258324-01 196716554 tox21-ror-cho-viability-p1 set2 4 4.7010188 4.33484333 2.48646363 4.31032323 5.48009931 3.12524204 0.96310637 2.1363219 0.01755056 3.25858695 2.88938736 3.91462491 3.14237412 0.91169878 0.65367062 1.109E-9 2.479E-9 5.544E-9 1.2399999999E-8 2.772E-8 6.199E-8 1.3859999999E-7 3.099E-7 6.9299999999E-7 0.00000155 0.000003465 0.000007748 0.00001733 0.00003874 0.000086629999999 129618-40-2 4463 144207968 A A Nevirapine O=C3Nc1c(C)ccnc1N(C2CC2)c4ncccc34 Tox21_200770 -NCGC00257727-01 196716555 tox21-ror-cho-viability-p1 set2 4 1.35506918 1.57873298 5.87065673 2.03259026 2.7633798 1.12452478 2.86542346 -0.61589151 3.81441418 1.5741572 6.31029498 4.98007247 1.89959776 5.20727242 2.74527052 1.188E-9 2.6549999999E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 7493-72-3 61410 144207371 A Ac Allyl nonanoate O=C(CCCCCCCC)OCC=C Tox21_200173 -NCGC00258084-01 196716556 tox21-ror-cho-viability-p1 set2 4 -0.07700451 0.07810564 4.25814623 -1.0304631 -0.54660454 -2.15060489 1.11321486 0.80023777 -0.99085461 -2.29275501 -1.71479579 -2.29461258 -2.01022467 0.48826307 0.29463139 1.157E-9 2.587E-9 5.784E-9 1.293E-8 2.892E-8 6.467E-8 1.446E-7 3.234E-7 7.2309999999E-7 0.000001617 0.000003615 0.000008084 0.000018079999999 0.00004042 0.000090379999999 565-61-7 11262 144207728 FC 3-Methyl-2-pentanone CC(CC)C(C)=O Tox21_200530 -NCGC00160453-02 196716955 tox21-ror-cho-viability-p1 set2 4 -0.7469473 -4.29011625 -5.15860078 -1.77915714 -0.59409488 -3.3831863 0.11645781 -1.47376693 -4.41049276 -5.12120555 -3.01226754 -4.20250329 -3.36501817 -0.01864868 -2.13746737 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 952-54-5 70374 170466494 Z Morphazinamide O=C(NCN1CCOCC1)c2cnccn2 Tox21_111823_1 -NCGC00095795-06 196716966 tox21-ror-cho-viability-p1 set2 4 -0.13689753 0.86521548 0.35500346 0.15863943 -1.33616524 2.08767852 0.95503881 0.22820869 -0.86529695 -2.3186878 -2.36069336 -2.61626633 0.50729268 -0.26454205 -1.51352937 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72-80-0 6301 170465701 F 5,7-Dichloro-8-hydroxy-2-methylquinoline Oc1c(Cl)cc(Cl)c2ccc(C)nc12 Tox21_113490_1 -NCGC00094616-07 196717377 tox21-ror-cho-viability-p1 set2 4 0.3757803576 -5.3145780959 3.5 -1.8145780959 4.9549173134 0.5919904121 0.1040503402 2.40896462 2.17562211 0.09392107 1.38339179 6.93151136 4.37601084 8.39489108 4.1074368 0.64586877 -1.84696416 -2.41675277 0.15705267 -1.9859664 -4.42881508 0.14081581 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77-36-1 2732 170464745 A Chlorthalidone NS(=O)(=O)c1cc(ccc1Cl)C3(O)NC(=O)c2ccccc23 Tox21_110369_1 -NCGC00263575-01 196717380 tox21-ror-cho-viability-p1 set2 -2.4 21.1316824289 -32.0550258919 1.5 -30.5550258919 2.0478617061 0.9127332508 0.0001622787 -2.21108481 4.3307624 -1.40794993 2.40491984 3.38033546 -1.86068101 3.6502249 3.09661091 1.8864666 -2.36575931 4.38163929 -0.14359127 -3.65039773 -14.29489473 -25.04585491 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 163222-33-1 150311 170465013 B Ezetimibe Fc1ccc(cc1)[C@@H](O)CC[C@H]3C(=O)N(c2ccc(F)cc2)[C@@H]3c4ccc(O)cc4 Tox21_111443_1 -NCGC00090910-03 196717389 tox21-ror-cho-viability-p1 set2 4 0.6406391501 -7.597055312 4 -3.597055312 4.9549173134 0.6951421145 0.0406637616 -0.36062037 2.13983368 3.18408077 2.04701914 4.58083159 6.0959792 5.25843765 7.49183227 -2.01809514 -2.34316467 -4.25334942 -1.24989547 -2.44495686 -2.22715735 -8.41421276 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00254963-01 196699808 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -25.126190492 1.5 -23.626190492 3.2974983358 0.8471871411 0.002474632 0.95087912 2.67021096 -0.49299559 0.17639887 1.53360664 2.359309 2.17046976 4.81391566 3.59165857 -0.61669856 0.25518852 3.49519867 -3.36714908 -1.38337722 -16.77182541 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103361-09-7 92425 144211378 A A Flumioxazin O=C4C=1CCCCC=1C(=O)N4c2cc3c(cc2F)OCC(=O)N3CC#C Tox21_301061 -NCGC00254287-01 196699793 tox21-ror-cho-viability-p1 set1 4 54.4826732819 7.6918096399 -0.1918096399 7.5 3.9294729863 0.3495971904 0.3238792891 -4.7431747 -0.38799862 -0.14743708 0.80382144 0.39506622 0.51217199 5.78416025 -0.68105673 1.67834548 -0.35724278 -3.19040787 1.80053791 -3.68545147 2.06091839 6.7441406 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-30-9 7797 144210700 AC Fns Ethyl heptanoate O=C(CCCCCC)OCC Tox21_300382 -NCGC00253962-01 196699796 tox21-ror-cho-viability-p1 set1 4 0.50136806 2.34485521 0.94604575 1.30186242 0.98342659 1.297733 -1.30613287 0.48284714 3.9890196 4.50783158 2.2071363 1.7348338 0.39585248 0.89294228 4.86850403 1.177E-9 2.631E-9 5.884E-9 1.316E-8 2.942E-8 6.578E-8 1.471E-7 3.289E-7 7.355E-7 0.000001645 0.0000036769999999 0.000008223 0.00001839 0.00004111 0.000091939999999 119-93-7 8413 144210598 A A 3,3'-Dimethylbenzidine Cc1cc(ccc1N)c2ccc(N)c(C)c2 Tox21_300278 -NCGC00163903-03 196699803 tox21-ror-cho-viability-p1 set1 4 36.4489958045 12.094034268 -1.094034268 11 0.8999999999 0.5977821357 0.0997592419 -2.57836189 -1.8232992 -2.2663994 -0.59277264 -2.39487132 0.9521969 1.4259588 -0.6642772 -1.1893034 1.20041506 0.85039127 -2.57612095 7.85797749 1.95118614 9.0152388 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00255472-01 196701069 tox21-ror-cho-viability-p1 set1 -2.1 67.2664740676 -83.8090510018 -6.610145933 -90.4191969348 3.9294729863 0.942099073 0.0000186558 -11.92651872 0.32934044 -1.06662091 -0.17586732 -3.62039726 -8.93872319 -5.76609754 -7.35755954 -13.75207543 -5.16798526 -7.67218115 -9.4443355 -10.40387427 -16.42692994 -70.77211889 1.1609999999E-9 2.5959999999E-9 5.804E-9 1.298E-8 2.9019999999E-8 6.489E-8 1.451E-7 3.245E-7 7.255E-7 0.000001622 0.000003628 0.000008112 0.00001814 0.00004056 0.000090689999999 139-07-1 8753 144211686 A A Benzyldimethyldodecylammonium chloride [Cl-].C[N+](C)(Cc1ccccc1)CCCCCCCCCCCC Tox21_301369 -NCGC00255825-01 196700652 tox21-ror-cho-viability-p1 set1 4 0.0015355304 11.811409276 -10.311409276 1.5 4.5044702849 0.8411949188 0.00305667 -7.75950773 0.51389905 1.15027408 0.74221525 0.35336158 1.37155403 1.30433375 1.21005382 -0.82236457 2.61399784 1.04115223 1.78224178 3.75393171 1.15171392 1.13081242 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1541-81-7 73764 144211553 A Fc 4-Dodecylmorpholine CCCCCCCCCCCCN1CCOCC1 Tox21_301236 -NCGC00091253-05 196700660 tox21-ror-cho-viability-p1 set1 4 0.96221991 1.20694291 -0.67913703 1.29091411 0.04975828 0.37096469 0.04187706 2.52488722 4.15745962 0.77001233 5.00217665 1.03882148 1.08848493 5.74861263 1.91611718 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00255958-01 196700670 tox21-ror-cho-viability-p1 set1 4 27.3060203028 -8.672610604 1 -7.672610604 4.5044702849 0.4701716934 0.2265293125 -1.16710655 1.54852864 0.61395123 1.1939255 3.82597449 4.12744816 1.71968572 0.47439892 0.45134106 -4.38997258 0.31842463 0.47069716 -0.12045791 -6.39384217 4.93956491 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 629-03-8 12368 144212376 F A 1,6-Dibromohexane BrCCCCCCBr Tox21_302059 -NCGC00255964-01 196701070 tox21-ror-cho-viability-p1 set1 -1.1 1.2197151236 -91.9560638421 0.5922459189 -91.3638179232 1.6604358099 0.9831941876 1.73E-8 -8.56717336 -0.10133833 0.33750683 2.20612986 3.90689714 -0.36538636 1.57452471 -8.30507629 -21.91304857 -64.53616074 -66.33618511 -91.74373763 -92.23344274 -95.17064367 -87.60813325 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1600-27-7 15337 144212317 A Mercury(II) acetate [Hg+2].[O-]C(C)=O.[O-]C(C)=O Tox21_302000 -NCGC00090910-03 196701480 tox21-ror-cho-viability-p1 set1 4 0.0160921279 -7.966240592 0.5 -7.466240592 4.9549173134 0.4480769682 0.2267646186 -5.27334431 2.50490184 4.24770581 -2.35198534 -8.44743156 -4.15874819 -12.47186716 -3.95145122 0.73247791 -9.2136114 -6.26122273 -9.07714499 -11.11712778 -8.08852265 -9.57133188 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00258310-01 196701482 tox21-ror-cho-viability-p1 set1 4 2.61449556 -0.71754669 5.18049459 5.44622361 -8.08705647 4.19285899 0.37561881 8.59733466 0.06699802 3.08330258 1.84131763 0.09516539 6.39523997 1.08762471 0.01191959 1.203E-9 2.6889999999E-9 6.013E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003758 0.000008404 0.000018789999999 0.00004202 0.000093959999999 50-84-0 5787 144207954 A A 2,4-Dichlorobenzoic acid OC(=O)c1ccc(Cl)cc1Cl Tox21_200756 -NCGC00258701-01 196702322 tox21-ror-cho-viability-p1 set1 4 -1.83900381 -0.11547814 1.50432446 2.07389949 3.12492522 3.67235986 -0.0884438 2.46786287 5.10970106 -1.22872634 2.18307039 2.40271045 4.52482808 0.32385987 2.2624703 1.216E-9 2.719E-9 6.0809999999E-9 1.36E-8 3.04E-8 6.7979999999E-8 1.5199999999E-7 3.3989999999E-7 7.6009999999E-7 0.0000016999999999 0.0000037999999999 0.0000084979999999 0.000018999999999 0.00004249 0.00009501 1072-67-9 66172 144208347 A Ac 5-Methyl-3-isoxazolamine Cc1cc(N)no1 Tox21_201149 -NCGC00258515-01 196729948 tox21-ror-cho-viability-p1 set3 4 2.18020577 -5.1195533 -10.67477132 -23.11378946 -0.84052082 -2.7011039 -17.2926329 0 -0.23337784 0 -2.9300719 0 -6.75640674 -5.20232071 -1.72521026 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.3169999999E-8 2.9459999999E-8 6.587E-8 1.4729999999E-7 3.294E-7 7.365E-7 0.0000016469999999 0.0000036819999999 0.000008234 0.000018409999999 0.00004117 0.00009206 94-07-5 7172 144208160 A A p-Synephrine OC(CNC)c1ccc(O)cc1 Tox21_200962 -NCGC00090776-02 196729949 tox21-ror-cho-viability-p1 set3 4 -4.23383346 -16.30512816 -3.72971098 -0.83014333 -19.91480152 -6.95089656 0.38456936 0 0 -1.85478794 -14.17161377 0 -6.88924007 -0.30138278 -0.92999444 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00258398-01 196729944 tox21-ror-cho-viability-p1 set3 4 -1.38052895 -1.14884556 -0.1450212 -1.29317794 0.78212147 2.40952599 2.11490577 0.04146288 -0.18643971 1.61053937 -0.95548513 0.40154089 -0.14854202 2.32504125 1.62577765 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 1572-52-7 74080 144208042 A A 2-Methylenepentanedinitrile N#CC(=C)CCC#N Tox21_200844 -NCGC00258262-01 196729947 tox21-ror-cho-viability-p1 set3 4 -0.80016682 2.79523623 -2.14792084 4.44737515 2.03922055 0.04897918 -0.5485744 2.61236608 3.00868521 4.48069926 0.54056343 3.75306072 6.78006745 0.57814535 6.92761775 1.188E-9 2.656E-9 5.9389999999E-9 1.3279999999E-8 2.9699999999E-8 6.64E-8 1.4849999999E-7 3.32E-7 7.4239999999E-7 0.0000016599999999 0.000003712 0.0000083 0.00001856 0.0000415 0.000092799999999 403842-84-2 16212746 144207906 A A 1-Methyl-3-octylimidazolium trifluoromethanesulfonate FC(F)(F)S([O-])(=O)=O.C[n+]1ccn(CCCCCCCC)c1 Tox21_200708 -NCGC00260668-01 196730351 tox21-ror-cho-viability-p1 set3 4 -3.78340027 -1.01121984 -3.07573879 1.97850951 -2.62227423 -3.23284565 1.95075485 -4.4070988 -4.52177834 0 -5.54958288 -2.86043677 -6.90357892 -2.98899937 -1.74154666 1.1689999999E-9 2.615E-9 5.8469999999E-9 1.3069999999E-8 2.9239999999E-8 6.537E-8 1.462E-7 3.269E-7 7.309E-7 0.0000016339999999 0.0000036539999999 0.0000081709999999 0.00001827 0.00004086 0.000091359999999 38716-68-6 6537488 144208142 A A 5-(Hydroxymethyl-2-furoyl)glycine O=C(NCC(=O)O)c1ccc(CO)o1 Tox21_200944 -NCGC00258713-01 196730360 tox21-ror-cho-viability-p1 set3 4 -0.74185243 2.25412869 0.96634042 1.2516239 3.08059713 0.59441352 0.3989763 -0.77003029 1.49727935 3.71403563 -1.53317147 1.64196584 0.75965387 1.44750545 2.29186136 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 7727-54-0 62648 144208359 Diammonium peroxydisulfate [NH4+].[NH4+].O=S(=O)([O-])OOS([O-])(=O)=O Tox21_201161 -NCGC00258641-01 196730366 tox21-ror-cho-viability-p1 set3 4 1.82038813 0.00232906 1.01101553 -1.04104595 2.99275295 2.43360198 1.7885661 0.01787459 3.78697077 3.12965984 1.50732628 0.22059489 0.97293962 -0.81495544 -0.23385467 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.0000016719999999 0.0000037379999999 0.000008358 0.00001869 0.00004179 0.00009344 611-19-8 11906 144208287 B 2-Chlorobenzyl chloride ClCc1ccccc1Cl Tox21_201089 -NCGC00258206-01 196730368 tox21-ror-cho-viability-p1 set3 4 2.05149461 0.53523672 -24.17948372 -1.42406756 -7.01392129 -13.2686985 -16.64938704 -4.22570883 -22.17630507 -16.35112994 0 0 -4.42913502 -2.35224695 -1.17526947 1.144E-9 2.5569999999E-9 5.7179999999E-9 1.278E-8 2.859E-8 6.392E-8 1.429E-7 3.196E-7 7.147E-7 0.000001598 0.000003573 0.00000799 0.00001787 0.00003995 0.00008934 111-66-0 8125 144207850 FNS 1-Octene C=CCCCCCC Tox21_200652 -NCGC00018098-07 196712535 tox21-ror-cho-viability-p1 set2 4 3.3491459627 -13.790243976 1 -12.790243976 4.9549173134 0.9128325577 0.0003111077 2.98242017 -0.62491028 0.85480967 0.70454731 -0.03571487 2.11538117 3.371792 -2.81572372 0.07642123 -0.41478938 1.98182084 -10.11087894 -12.5835657 -12.74186998 6.74187599 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83-73-8 3728 170465640 Ac Iodoquinol Oc1c(I)cc(I)c2cccnc12 Tox21_110823_1 -NCGC00260083-01 196712123 tox21-ror-cho-viability-p1 set2 4 -2.47230703 0.47917119 -0.06805287 0.46981173 0.45931902 0.21403998 -4.04184686 -2.7461935 0.66306648 -2.71595488 1.44054105 -0.73148171 0.0041593 0.47271142 -6.36004519 5.883E-10 1.315E-9 2.941E-9 6.577E-9 1.471E-8 3.289E-8 7.353E-8 1.644E-7 3.677E-7 8.221E-7 0.000001838 0.0000041109999999 0.000009192 0.00002055 0.00004596 7789-38-0 23668195 144209732 Sodium bromate [Na+].[O-]Br(=O)=O Tox21_202534 -NCGC00260616-01 196712125 tox21-ror-cho-viability-p1 set2 -2.2 18.8336317891 -59.3237701141 -5.949470314 -65.2732404281 0.7 0.7495209151 0.0195735422 -5.09526986 -0.69914037 -13.22663186 -5.3284199 -7.43871794 -1.8138842 -9.0838406 -1.17279887 -19.84636281 -12.90720563 -10.71896154 -21.89843891 -39.99635456 -20.30068503 -51.80415907 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49512 144210269 M M NTP Mix19 AR1 8-EQC Tox21_203071 -NCGC00259383-01 196712137 tox21-ror-cho-viability-p1 set2 4 1.3894454035 6.6718980239 -7.6718980239 -1 3.9294729863 0.3866889404 0.2851189472 -8.42860455 -2.16061474 -8.08297197 -14.12331355 -2.22038164 -16.80991502 -2.99820678 -4.71605443 -11.91570853 -1.51557776 -0.35364435 0 0 -3.31143791 -1.80987619 1.195E-9 2.671E-9 5.973E-9 1.336E-8 2.986E-8 6.678E-8 1.493E-7 3.3389999999E-7 7.466E-7 0.000001669 0.000003733 0.000008347 0.00001867 0.00004174 0.000093329999999 58-14-0 4993 144209032 A A Pyrimethamine CCc1nc(N)nc(N)c1c2ccc(Cl)cc2 Tox21_201834 -NCGC00164168-02 196712538 tox21-ror-cho-viability-p1 set2 4 -1.1935716 1.94621785 -0.61796211 1.7371165 0.34446292 -0.63796751 0.42555248 2.37190286 1.59591248 0.0580559 -1.05487023 -0.09572905 -0.87823712 1.21169963 -0.62420582 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00160493-02 196712541 tox21-ror-cho-viability-p1 set2 4 -0.96969516 -0.57119424 -0.96471329 0.67712209 -1.67370938 -1.55740991 0.48887219 0.51175286 0.31523317 0.80463307 -1.56679416 -2.16146752 0.44932971 -0.4809867 -0.66708658 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16543-10-5 27918 170466379 A Fosenazide O=P(CC(=O)NN)(c1ccccc1)c2ccccc2 Tox21_111853_1 -NCGC00182998-01 196712547 tox21-ror-cho-viability-p1 set2 4 4.09001177 0.0364718 4.37164327 1.2442491 4.37730787 4.17011556 3.1843243 0.32911191 -1.76668469 1.60869419 4.06248654 2.649971 3.81600153 1.58180458 -0.54549123 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14008-48-1 26391 144206872 A A Bisoxatin acetate CC(=O)Oc1ccc(cc1)C2(Oc3ccccc3NC2=O)c4ccc(OC(C)=O)cc4 Tox21_113321 -NCGC00015846-15 196712963 tox21-ror-cho-viability-p1 set2 4 -1.20555548 -1.49331681 -1.73683447 0.63152617 0.16062159 0.00419007 0.37558462 1.13691356 1.6989062 0.47606034 -0.35352452 -0.26673152 -0.09501388 0.45879114 7.41883581 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-33-9 4781 170465040 A Phenylbutazone O=C3C(CCCC)C(=O)N(c1ccccc1)N3c2ccccc2 Tox21_110242_1 -NCGC00188346-02 196712965 tox21-ror-cho-viability-p1 set2 -2.2 11.8832183006 -42.9799427041 -0.0305710079 -43.010513712 0.8999999999 0.9423765295 0.0000182081 -4.10808444 -0.09513548 -0.62229183 0.70015778 0.65339499 0.41550199 2.57718928 0.06420129 0.41661692 -1.99929651 -11.32041047 -13.55265679 -15.11602665 -23.516769 -37.7285208 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1092351-67-1 24905147 170466897 A PP242 Oc1cc2cc(nc2cc1)c4nn(c3ncnc(N)c34)C(C)C Tox21_113072_1 -NCGC00025002-04 196712970 tox21-ror-cho-viability-p1 set2 4 0.0188336318 -7.155945896 0 -7.155945896 0.6999999999 0.4809742128 0.1974412791 0.4043438 -1.38094221 -2.0291655 -2.25414805 -2.53972403 -7.49838249 -0.5001442 -6.7302779 -5.88984129 -5.53465119 -11.79662158 -9.69491953 -8.7149659 -2.41298252 -5.35393606 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 102394-31-0 107867 170466332 A AF-DX 116 O=C(CN1CCCCC1CN(CC)CC)N4c2ccccc2C(=O)Nc3cccnc34 Tox21_110942_1 -NCGC00259232-01 196709230 tox21-ror-cho-viability-p1 set2 4 4.08292806 -1.21021153 1.45302402 3.19516976 1.05683327 -0.44962522 3.28944783 3.14127121 0.07814974 -0.39828412 1.05834761 0.16337356 3.82312671 4.22883227 -1.95594687 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.386E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 326-61-4 9473 144208881 A A Piperonyl acetate CC(=O)OCc1ccc2OCOc2c1 Tox21_201683 -NCGC00259618-01 196708825 tox21-ror-cho-viability-p1 set2 4 68.0319836447 -13.545838104 1 -12.545838104 4.9549173134 0.6846632397 0.0460760964 -0.01557242 -3.07982992 3.67436613 3.91200057 0.03911742 -1.60253618 2.3947663 -0.42867994 1.93407169 -0.12714514 2.52539246 0.10671827 1.95781761 -0.12394132 -10.03819842 1.172E-9 2.622E-9 5.862E-9 1.311E-8 2.931E-8 6.554E-8 1.466E-7 3.277E-7 7.328E-7 0.0000016379999999 0.000003664 0.000008192 0.00001832 0.00004096 0.00009159 58-89-9 727 144209267 A Ac Lindane Cl[C@H]1[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H]1Cl Tox21_202069 -NCGC00259004-01 196708832 tox21-ror-cho-viability-p1 set2 4 3.2242308 0.94667865 -1.0857924 -4.59430882 -2.46146886 -3.47742365 2.45048958 0.01892091 -3.45850079 -0.55820406 0.43614467 -2.05071474 1.02090618 3.8315865 1.65600727 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 111-40-0 8111 144208651 Diethylenetriamine NCCNCCN Tox21_201453 -NCGC00256976-01 196718214 tox21-ror-cho-viability-p1 set2 4 -4.89562665 1.11613923 -1.90652262 -1.65047507 -7.33154347 -6.14876898 -1.76923939 -0.54932433 -1.14678942 0.34272278 0.7872686 -0.2506287 -2.05802514 -0.45151346 0.11494151 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 137-32-6 8723 144213517 Ac 2-Methyl-1-butanol CC(CC)CO Tox21_303200 -NCGC00091632-02 196717805 tox21-ror-cho-viability-p1 set2 4 7.6958821542 -6.794795884 3 -3.794795884 1.0999999999 0.580590305 0.1133338546 0.38707962 -1.4102715 3.0654918 3.74897633 2.89498631 3.84036147 6.9693274 4.20792086 2.23447141 2.37276163 -0.40827368 -0.44248644 -1.73279135 -1.00853904 -4.82899657 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00257395-01 196718210 tox21-ror-cho-viability-p1 set2 -2.2 48.5577336745 -38.4346846152 0 -38.4346846152 3.0654483358 0.9933624678 1E-10 -0.72415271 1.48391033 0.15884128 -1.36344618 0.45552102 0.13586495 -0.97384676 -0.49241609 -1.11446381 0.55138013 0.32146232 -0.40400493 -1.76456676 -14.33836543 -33.66263986 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131-55-5 8571 144213944 A A 2,2',4,4'-Tetrahydroxybenzophenone O=C(c1ccc(O)cc1O)c2ccc(O)cc2O Tox21_303639 -NCGC00256816-01 196718218 tox21-ror-cho-viability-p1 set2 4 1.3331684 0.88969192 1.77217252 2.85116899 1.71625021 6.53134363 0.66299945 3.14222475 2.91020241 4.23691907 4.59977922 -1.47730193 4.79749291 4.84228626 0.63758239 1.109E-9 2.4799999999E-9 5.5449999999E-9 1.2399999999E-8 2.772E-8 6.199E-8 1.3859999999E-7 3.1E-7 6.931E-7 0.00000155 0.000003465 0.000007749 0.00001733 0.00003874 0.00008664 55-06-1 23666110 144212831 A B 3,3',5-Triiodo-l-thyronine sodium salt [Na+].[O-]C(=O)[C@@H](N)Cc2cc(I)c(Oc1cc(I)c(O)cc1)c(I)c2 Tox21_302514 -NCGC00257171-01 196718621 tox21-ror-cho-viability-p1 set2 4 0.35844846 -0.10934363 4.72514446 0.16984205 4.82370015 0.5926546 5.7855669 4.20341047 -0.03954226 4.41367802 6.04468146 6.75552651 -1.16315301 0.56856772 0.15440722 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-74-4 6946 144213609 A A 2-Nitroaniline O=[N+]([O-])c1ccccc1N Tox21_303292 -NCGC00257364-01 196718636 tox21-ror-cho-viability-p1 set2 4 -0.2754011 0.265529 -0.74219328 1.08150104 -0.8534103 2.71898091 3.61747845 2.68383497 -1.65237484 0.95777903 3.21504918 4.43551632 2.39513573 5.33215501 1.22617763 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 462-08-8 10009 144213761 A A 3-Pyridinamine Nc1cccnc1 Tox21_303451 -NCGC00256420-01 196718637 tox21-ror-cho-viability-p1 set2 4 -4.59144558 -3.91057407 -3.40818304 1.71533113 -3.67220312 -3.43697634 -5.98685619 -2.89670529 -3.32210552 -3.87668032 -1.6229508 -4.27263041 -1.18906538 0.6375854 2.72952311 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.0000037229999999 0.000008326 0.00001862 0.00004163 0.00009309 110-93-0 9862 144213216 Fc 6-Methyl-5-hepten-2-one C/C(C)=C\CCC(C)=O Tox21_302899 -NCGC00256591-01 196719038 tox21-ror-cho-viability-p1 set2 4 0.53766962 0.99683304 -0.09768763 0.48203447 0.53032577 1.07287246 0.13724868 3.26199482 2.76762635 0.92391126 2.0907699 6.83598322 0.51501826 1.02035169 2.37955577 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3165-93-3 18487 144213237 A A 4-Chloro-2-methylaniline hydrochloride Cl.Cc1cc(Cl)ccc1N Tox21_302920 -NCGC00257376-01 196719039 tox21-ror-cho-viability-p1 set2 4 2.06605655 -0.89752476 2.15811764 -0.5474718 4.13678544 2.58765319 1.86327401 1.89716693 4.06770293 0.30639281 4.95583493 -1.17695624 -0.81916949 0.29954441 -2.56206164 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 144-62-7 971 144213663 A Oxalic acid O=C(O)C(=O)O Tox21_303346 -NCGC00257016-01 196719472 tox21-ror-cho-viability-p1 set2 4 2.4336516212 5.3634377879 -6.3634377879 -1 4.9549173134 0.6072037545 0.0932329578 -6.02929609 -6.22425727 -4.26559588 -2.33802123 -10.71953149 -6.38190049 -7.42250934 -5.72816113 -7.83984013 -8.88858218 0.47172418 -0.97236706 -2.29310254 -1.6081643 -1.30448447 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 75-86-5 6406 144213573 D 2-Hydroxy-2-methylpropanenitrile N#CC(C)(C)O Tox21_303256 -NCGC00159434-04 196717391 tox21-ror-cho-viability-p1 set2 4 0.17379065 -0.78110694 -3.1928493 -2.25057983 1.18665628 -0.75387163 1.73064881 -5.9263074 -4.78189074 -1.56236664 2.7146443 -1.02006836 0.98906879 0.17369361 -5.81390366 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 302-40-9 9330 170466568 A Benactyzine OC(C(=O)OCCN(CC)CC)(c1ccccc1)c2ccccc2 Tox21_111665_1 -NCGC00091532-04 196716982 tox21-ror-cho-viability-p1 set2 -3 61.8773215692 -47.095093208 2 -45.095093208 2.6384283767 0.9287957264 0.0000563435 1.98969961 -0.2169117 1.27446629 0.80362344 3.93884611 2.64386929 1.70791373 5.14975864 4.43279793 3.31117432 0.35437896 1.25875512 -6.9694125 -6.83311301 -34.1629494 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00260176-01 196703984 tox21-ror-cho-viability-p1 set1 4 -4.2888198 3.741281 -1.17652549 0.79679284 -0.75079751 -0.10972784 2.07954735 8.97704716 1.01401384 -0.06854188 1.07621036 -0.51664642 3.64222244 -0.03085481 4.28160582 1.175E-9 2.626E-9 5.873E-9 1.3129999999E-8 2.936E-8 6.566E-8 1.468E-7 3.2829999999E-7 7.341E-7 0.000001642 0.0000036709999999 0.000008208 0.00001835 0.00004104 0.00009176 61546-00-7 16749605 144209826 F Fns 1-Dodecyl-3-methylimidazolium bromide [Br-].C[n+]1ccn(CCCCCCCCCCCC)c1 Tox21_202628 -NCGC00160651-02 196704393 tox21-ror-cho-viability-p1 set1 4 0.48599224 0.04293845 0.94780974 0.12753715 3.71256528 -2.78478326 0.9636389 3.33620237 -3.2984562 -0.28248552 0.05929942 3.64981067 3.74962806 -2.71889352 0.62183918 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3563-14-2 60582 170466135 A Sulfasuccinamide O=S(N)(=O)c1ccc(NC(=O)CCC(=O)O)cc1 Tox21_111958_1 -NCGC00165856-03 196704410 tox21-ror-cho-viability-p1 set1 -1.1 11.8832183006 -79.3477875379 0.0514926259 -79.296294912 3.9294729863 0.9925587939 1E-10 0.46250894 0.03008052 1.74360814 -0.24594991 -1.24265228 -1.72523349 0.57609946 -1.79286104 -0.93439067 -1.53633652 0.18986133 -0.74591211 -15.30326765 -75.77950705 -77.7414656 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 96829-58-2 5284600 170464663 A Orlistat O=C(O[C@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)CCCCCCCCCCC)C(CC(C)C)NC=O Tox21_111437_1 -NCGC00179333-03 196704413 tox21-ror-cho-viability-p1 set1 4 0.1995126 -6.7198141 2.17854491 -2.42313438 -6.08802841 -2.1024775 -2.18099152 -0.35769224 -1.72583026 -4.99245636 -0.1517822 1.87070445 0.54025377 -2.05690885 0.13956257 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 86-34-0 6839 170465315 A Phensuximide O=C1C(CC(=O)N1C)c2ccccc2 Tox21_110382_1 -NCGC00013895-08 196704806 tox21-ror-cho-viability-p1 set1 4 0.02537933 -1.72491107 -2.69525277 1.36533535 -0.05104453 -4.43523676 1.69895454 0.17004771 -5.15202939 -2.62481267 -4.9780674 -1.21467819 1.01577673 -3.36296466 -7.17304298 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3562-84-3 2333 170465792 A Benzbromarone Brc1cc(cc(Br)c1O)C(=O)c2c3ccccc3oc2CC Tox21_110041_1 -NCGC00249888-01 196704808 tox21-ror-cho-viability-p1 set1 4 23.7101376556 -14.747565492 -2 -16.747565492 0.7 0.5518475803 0.1356286784 -2.7017907 -6.38536705 -3.38712043 -0.20210466 -7.2410259 -2.78872398 -3.53639748 -0.87356677 0.46572691 -3.95000544 -5.24300017 -4.93669985 -4.92790513 -9.81774299 -12.28963791 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68-19-9 5311498 170464872 F F Vitamin B12 NC(=O)CC[C@@H]8C=2N=C(C(C)=C1[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@@](C)(N1[Co+]C#N)[C@@H]7N=C(C(C)=C3N=C(C=2)C(C)(C)[C@@H]3CCC(N)=O)[C@](C)(CCC(=O)NC[C@@H](C)OP([O-])(=O)O[C@@H]6[C@@H](CO)O[C@H](n5cnc4cc(C)c(C)cc45)[C@@H]6O)[C@H]7CC(N)=O)[C@@]8(C)CC(N)=O Tox21_113664 -NCGC00163468-05 196704822 tox21-ror-cho-viability-p1 set1 -2.4 33.4914596268 -30.284810688 0.5 -29.784810688 4.9549173134 0.9390906335 0.0000246543 -1.27996982 0.11855807 2.57324157 -1.40068923 -1.5589482 -0.24056712 0.78867835 2.17148255 1.42706131 -1.59647391 2.81498665 -0.10475943 0.34536534 1.07728819 -26.48734224 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-07-7 5746 170464814 A Mitomycin C NC(=O)OC[C@@H]3C=1C(=O)C(N)=C(C)C(=O)C=1N2C[C@@H]4N[C@@H]4[C@@]23OC Tox21_111493_1 -NCGC00016759-04 196704827 tox21-ror-cho-viability-p1 set1 4 -0.25946344 -0.78064361 -1.66608873 0.78160258 0.78787737 -1.86576992 0.95637389 0.45133346 -1.53849716 0.71212668 -2.163884 -1.20603487 0.67926979 -1.97201944 -0.24729517 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26159-34-2 23681059 170465301 A Naproxen sodium [Na+].[O-]C(=O)[C@@H](C)c1ccc2cc(ccc2c1)OC Tox21_110774_1 -NCGC00257645-01 196701928 tox21-ror-cho-viability-p1 set1 4 0.0171063603 -10.688291484 3 -7.688291484 4.9549173134 0.5305224464 0.1518845409 4.01297734 1.14607792 0.84025006 4.56819659 -13.90690957 -1.75353377 -6.44275491 -4.5781087 0.60304281 -8.44345711 -11.68356675 -3.97212541 -11.34844059 -11.19314873 -11.63339377 1.173E-9 2.622E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.3299999999E-7 0.0000016389999999 0.000003665 0.000008195 0.00001832 0.000040969999999 0.00009162 80-30-8 6633 144207289 A A N-Cyclohexyl-4-methylbenzenesulfonamide O=S(=O)(NC1CCCCC1)c2ccc(C)cc2 Tox21_200091 -NCGC00258577-01 196701519 tox21-ror-cho-viability-p1 set1 4 -2.25453743 1.0573019 -2.1815131 1.30139234 -13.31459124 0.17227848 -2.58752362 0.09055588 -0.46215212 2.65092306 -10.87644418 0.10891014 -11.63784834 -2.94729736 -0.58950725 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.9409999999E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.0000411 0.00009189 370865-89-7 11159638 144208222 A A 1-Ethyl-3-methylimidazolium dicyanamide C[n+]1ccn(CC)c1.N#C\N=C=[N-] Tox21_201024 -NCGC00258217-01 196701520 tox21-ror-cho-viability-p1 set1 4 0.1249544664 -18.520545328 1.739327544 -16.781217784 0.2 0.4713629203 0.2053795238 -5.07655052 -1.0721701 -7.2387235 -1.05056038 -8.24935782 -4.05694938 -15.25001656 -9.67280954 -7.21359797 -10.96293775 -6.88241658 -7.91087221 -10.8648503 -15.65101482 -13.52288771 1.204E-9 2.692E-9 6.02E-9 1.346E-8 3.01E-8 6.73E-8 1.5049999999E-7 3.365E-7 7.5239999999E-7 0.000001683 0.0000037619999999 0.000008413 0.000018809999999 0.00004206 0.00009406 4253-34-3 77929 144207861 D Methylsilanetriyl triacetate O=C(C)O[Si](C)(OC(C)=O)OC(=O)C Tox21_200663 -NCGC00257933-01 196701522 tox21-ror-cho-viability-p1 set1 4 6.8101646905 7.2452267 -11.619605932 -4.374379232 1.4641 0.3495092617 0.321721871 -15.08779034 -7.85859976 -11.52322604 -8.1807083 -7.9804459 -8.60755752 -12.59868188 -13.79368641 -18.84967161 -13.11837353 -5.71969978 -8.38874861 -5.10103684 -9.34956488 -1.97864936 1.173E-9 2.624E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.000003667 0.0000081989999999 0.00001833 0.00004099 0.000091659999999 95-46-5 7236 144207577 AC A 2-Bromotoluene Cc1ccccc1Br Tox21_200379 -NCGC00168342-02 196698453 tox21-ror-cho-viability-p1 set1 4 76.4894813809 -11.940651784 2 -9.940651784 4.9549173134 0.6409562823 0.0714087056 0.83461808 3.24165931 3.96052253 1.20811934 -0.55540095 3.63367898 2.45281826 -0.27202077 0.33288482 4.47022664 3.37852932 0.89690629 0.12363681 1.46180953 -6.61720982 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00183843-01 196698029 tox21-ror-cho-viability-p1 set1 4 0.05512891 1.70934701 1.32622855 0.5917183 1.14111563 1.74356902 4.29144918 0.93151828 1.56984514 0.28376773 1.69602956 2.40580971 0.73723921 0.26444655 1.42847053 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57574-09-1 34870 144206864 A A Amineptine O=C(O)CCCCCCNC2c3ccccc3CCc1ccccc12 Tox21_113313 -NCGC00181914-01 196698044 tox21-ror-cho-viability-p1 set1 4 0.35519261 7.11128791 5.07732563 0.19535147 8.22327447 2.03807398 1.00904936 5.46694155 2.58867947 3.26673572 4.49096783 2.98123961 2.54170127 4.78587164 5.00041801 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5486-77-1 71837 144206889 A A Alloclamide O=C(NCCN(CC)CC)c1ccc(Cl)cc1OCC=C Tox21_113338 -NCGC00168759-05 196698443 tox21-ror-cho-viability-p1 set1 4 4.7307944147 -21.21849086 7.5 -13.71849086 0.3 0.6900250675 0.0429117912 1.65671815 7.1932951 7.48569704 6.68093265 8.55049108 5.52353837 -1.35277977 -0.87530417 -1.75090888 -1.27215338 0.23510309 1.56954205 -4.75757379 -3.67879553 -9.76540905 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 775304-57-9 11219835 170466862 A PTC-124 O=C(O)c1cccc(c1)c2nc(on2)c3ccccc3F Tox21_112631_1 -NCGC00181016-04 196713802 tox21-ror-cho-viability-p1 set2 -3 33.4914596268 -58.09902278 3.5 -54.59902278 4.9549173134 0.951177946 0.0000073841 5.46244197 8.23367946 7.63478009 0.52507143 3.83784159 1.12545118 8.43245768 1.08262167 3.22599536 0.37517648 5.73086855 0.04848562 3.15178538 -1.78849038 -45.49918565 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 153559-49-0 82146 170465308 A Bexarotene O=C(O)c1ccc(cc1)C(=C)c2cc3c(cc2C)C(C)(C)CCC3(C)C Tox21_112666_1 -NCGC00093350-05 196713379 tox21-ror-cho-viability-p1 set2 4 -0.16538421 0.79010973 1.20134166 -0.70361915 -0.08650399 -0.29262172 2.26139053 0.07699293 0.43225457 0.5133305 0.27402042 1.61514509 -0.5635197 2.16363897 2.98909647 5.899E-12 1.319E-11 2.949E-11 6.595E-11 1.475E-10 3.2969999999E-10 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 37517-28-5 37768 170465345 F Amikacin NCC[C@H](O)C(=O)N[C@@H]3C[C@H](N)[C@@H](O[C@H]1O[C@H](CN)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H]3O[C@H]2O[C@H](CO)[C@@H](O)[C@H](N)[C@H]2O Tox21_111201_1 -NCGC00016034-05 196713384 tox21-ror-cho-viability-p1 set2 4 -2.23413348 0.47176868 -1.07408212 0.79452731 -0.12362088 -2.96485378 -0.7982676 -0.98936 -1.41767308 0.15167356 -0.32547427 -1.21277125 -1.79064692 1.2480971 0.13098529 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56776-01-3 5702285 170465781 A Tulobuterol hydrochloride Cl.OC(CNC(C)(C)C)c1ccccc1Cl Tox21_111277_1 -NCGC00091044-02 196713783 tox21-ror-cho-viability-p1 set2 4 -0.06345596 -1.50748507 -1.34238168 -1.73447911 -0.22294559 -1.09217064 2.03743033 -0.38524457 -0.82133742 0.98809719 2.23227206 2.0743515 1.47457137 0.91003874 -0.89089188 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00254512-01 196714194 tox21-ror-cho-viability-p1 set2 4 1.51286839 0.60811608 -0.01059481 2.5795667 0.37172356 -0.12566505 0.98092072 0.88370603 0.93867378 -1.91242207 2.82186426 7.56698798 7.93620881 4.37824064 0.67549587 1.1139999999E-9 2.49E-9 5.568E-9 1.2449999999E-8 2.784E-8 6.226E-8 1.3919999999E-7 3.113E-7 6.9599999999E-7 0.000001556 0.0000034799999999 0.000007782 0.0000174 0.000038909999999 0.000087 54-62-6 169371 144210944 D 4-Aminofolic acid O=C(O)[C@H](CCC(=O)O)NC(=O)c1ccc(cc1)NCc2nc3c(nc2)nc(N)nc3N Tox21_300627 -NCGC00254059-01 196714206 tox21-ror-cho-viability-p1 set2 4 38.5707788719 -18.620756032 0.5 -18.120756032 2.2526478767 0.9170900563 0.0001258679 0.49115485 -1.26572501 0.55407676 0.74539686 -1.33102234 3.53810104 0.60726374 0.1012966 2.57966609 0.68167574 1.07421412 -2.5451623 -0.9677015 -9.78784151 -15.93396336 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 842-07-9 5858445 144210617 A A C.I. Solvent Yellow 14 Oc3ccc1ccccc1c3/N=N/c2ccccc2 Tox21_300297 -NCGC00254575-01 196714625 tox21-ror-cho-viability-p1 set2 4 -1.48243653 0.58035869 -5.58138559 -4.75125157 -3.78434164 -1.02977304 -10.62933567 -8.41630669 -8.5922405 -3.55769522 -14.14732262 -1.42709221 -9.39656704 -0.14595477 0.66108371 1.368E-9 3.059E-9 6.8389999999E-9 1.529E-8 3.42E-8 7.647E-8 1.71E-7 3.823E-7 8.549E-7 0.0000019119999999 0.000004275 0.0000095579999999 0.00002137 0.000047789999999 0.0001069 1824-81-3 15765 144210984 A Ac 6-Methylpyridin-2-amine Cc1cccc(N)n1 Tox21_300667 -NCGC00254736-01 196714632 tox21-ror-cho-viability-p1 set2 4 0.44434406 0.21392687 -0.39111686 0.64619401 0.71340738 -0.03708132 0.60181757 0.31915033 2.26087478 1.17081392 -0.36899717 1.67088933 2.0806058 0.35858305 2.26872613 1.252E-9 2.7989999999E-9 6.258E-9 1.399E-8 3.129E-8 6.997E-8 1.565E-7 3.499E-7 7.823E-7 0.000001749 0.000003912 0.000008746 0.00001956 0.000043729999999 0.00009779 68169-03-9 3058839 144211149 A Fc (Dicyclopentadienyloxy)ethyl methacrylate C=C(C)C(=O)OCCOC3CC1CC3C2C=CCC12 Tox21_300832 -NCGC00254095-01 196714633 tox21-ror-cho-viability-p1 set2 4 0.40256964 2.07954482 0.06230326 -0.09014567 -1.53452323 -0.74185328 0.14699085 1.97891415 -0.11086867 3.04418838 1.0344905 3.52819546 4.8319586 0.15958166 -0.33002535 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 54-11-5 89594 144210494 A Ac Nicotine CN2CCC[C@H]2c1cnccc1 Tox21_300174 -NCGC00255261-01 196710083 tox21-ror-cho-viability-p1 set2 4 5.97425703 1.59022582 5.37985674 3.05876652 3.11032818 1.43309107 -1.13947458 2.35405443 -0.91868036 1.45912769 -1.18257159 -0.65164098 2.16531319 -0.11941606 2.49668392 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85507-79-5 19283 144212735 F F Phthalic acid, diundecyl ester, branched and linear O=C(OCCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCCC Tox21_302418 -NCGC00256111-01 196710076 tox21-ror-cho-viability-p1 set2 -1.1 1.7228934059 -78.4778056612 -2.808255427 -81.2860610882 3.0654483358 0.9925654403 1E-10 -1.51567605 -1.12857776 -1.48945173 -2.95519826 -0.07807916 0.37548314 -4.99303972 -8.43321442 -12.83252183 -39.54516823 -79.45598017 -82.70707113 -81.11677071 -79.80880593 -75.67000607 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13331-52-7 16683072 144212112 F A (Acryloyloxy)(tributyl)stannane CCCC[Sn](CCCC)(OC(=O)C=C)CCCC Tox21_301795 -NCGC00255561-01 196710077 tox21-ror-cho-viability-p1 set2 4 -0.22725759 2.72312388 -1.43517321 1.4286033 -1.89260024 -1.14892953 -1.0404704 2.99999978 2.20166644 1.13053219 3.02541885 -2.09652912 0.56444879 -2.20350079 0.99610005 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 644-64-4 12572 144212172 A A Dimetilan O=C(N(C)C)n1nc(OC(=O)N(C)C)cc1C Tox21_301855 -NCGC00255513-01 196710078 tox21-ror-cho-viability-p1 set2 4 19.3311819617 -10.143404668 0 -10.143404668 3.1319983358 0.6784276581 0.0489039885 -6.97319544 0.71218658 -0.30438976 3.1442337 3.60947582 -0.4717823 -1.31232861 -0.00747293 0.44195934 0.56901793 -1.91581254 -0.70737877 -4.65520006 -9.44477882 -10.11950389 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55814-41-0 41632 144212748 A A Mepronil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C Tox21_302431 -NCGC00254096-01 196719906 tox21-ror-cho-viability-p1 set3 4 6.50602578 -0.75790984 7.26617672 7.43666116 4.31016741 0.86773804 3.27158102 -3.65595641 2.25143443 2.35591416 4.55374408 7.01678167 6.47892914 1.1519077 0.62939066 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 53-03-2 5865 144210516 A A Prednisone OCC(=O)[C@@]3(O)CC[C@H]2[C@@H]4CCC1=CC(=O)C=C[C@]1(C)[C@H]4C(=O)C[C@@]23C Tox21_300196 -NCGC00254399-01 196719905 tox21-ror-cho-viability-p1 set3 4 0.25907624 5.66020375 1.73610377 8.13403541 -0.40183973 7.75997021 -6.74449078 1.0512513 -7.562468 2.43652687 -0.97974037 -0.22826445 4.12998393 0.72743958 -1.05058015 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 208-96-8 9161 144210904 B Ac Acenaphthylene c1cc2cccc3C=Cc(c1)c23 Tox21_300587 -NCGC00254551-01 196719908 tox21-ror-cho-viability-p1 set3 4 0.019331182 8.774532292 -1.274532292 7.5 4.9549173134 0.6097217016 0.0904664124 -2.72877691 -0.95869613 1.41216725 -1.09319864 7.96898197 5.74594386 8.62209792 12.80411558 2.80732991 9.66503673 8.14781399 7.60446048 9.75935615 0.54416437 10.34811157 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10094-34-5 24915 144210960 A F 1,1-Dimethyl-2-phenylethyl butanoate CCCC(=O)OC(C)(C)Cc1ccccc1 Tox21_300643 -NCGC00254646-01 196720309 tox21-ror-cho-viability-p1 set3 4 0.681016469 18.46651152 -12.46651152 6 0.3 0.5789041952 0.1127812714 -8.45879103 -14.20845331 -0.77637494 -15.3887596 -9.16611588 -6.21148569 -0.10634519 -3.24470924 -3.47567947 -1.50100728 -5.09611766 -0.29791547 0 3.738811 3.87384564 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.0000036659999999 0.000008198 0.00001833 0.00004099 0.000091659999999 10265-92-6 4096 144211057 A Methamidophos NP(=O)(OC)SC Tox21_300740 -NCGC00255029-01 196720314 tox21-ror-cho-viability-p1 set3 -2.2 27.3060203028 -48.6436807673 1.6689618944 -46.9747188729 2.2481167061 0.8720844352 0.0010698385 -2.61807052 1.87153614 12.34009954 -1.34622644 11.93917258 8.45509592 -5.8151312 0.64176177 -4.59747561 -1.27475145 -3.85028847 -0.41445515 -12.1507295 -33.48053402 -44.28066257 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 175013-18-0 6422843 144211447 A A Pyraclostrobin O=C(OC)N(OC)c3ccccc3COc1ccn(n1)c2ccc(Cl)cc2 Tox21_301130 -NCGC00254548-01 196720720 tox21-ror-cho-viability-p1 set3 4 0.0769588215 7 5 12 3.5722481694 0.3330934314 0.336408046 6.01818053 6.76405996 4.44442588 4.90073927 3.77342493 8.00390408 11.19773262 10.36284926 16.38048538 20.94849737 20.22510048 4.55371721 9.30407143 3.83868569 11.26359819 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 307-24-4 67542 144210712 PFHxA FC(F)(C(F)(F)C(=O)O)C(F)(F)C(F)(F)C(F)(F)F Tox21_300394 -NCGC00091205-03 196720729 tox21-ror-cho-viability-p1 set3 4 -8.20022513 -1.60408049 1.9203926 1.5841257 1.55224709 -11.02667164 -7.94703376 -5.35172423 0.14402609 2.05624911 -0.63148078 -1.22101211 0.67078703 -1.08088673 -0.28114648 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00256834-01 196719055 tox21-ror-cho-viability-p1 set2 4 0.69607062 2.8259907 1.34950196 3.36265208 3.71121234 4.66954951 2.24879736 5.49840341 4.35762959 3.83982871 4.13448297 0.06173862 2.50874339 1.3136723 3.0730248 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13678-68-7 61660 144212803 A F S-Furfuryl thioacetate O=C(C)SCc1ccco1 Tox21_302486 -NCGC00257028-01 196718648 tox21-ror-cho-viability-p1 set2 4 34.3762428541 11.1298318199 -3.1298318199 8 0.7999999999 0.5313574511 0.1527547451 -1.00414622 -1.91762095 -1.4469468 -5.3571018 -6.13848769 -1.51499286 -3.73872957 -0.48992969 -6.77485985 -4.48394305 3.03305655 -0.11626566 -0.44967158 1.66338323 6.21549595 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 3089-11-0 62479 144213450 D N,N,N',N',N'',N''-Hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine COCN(COC)c1nc(nc(n1)N(COC)COC)N(COC)COC Tox21_303133 -NCGC00257266-01 196718653 tox21-ror-cho-viability-p1 set2 4 -3.04455941 -6.44867853 -5.44266369 -1.35745407 -2.5832426 -1.46412239 -8.14892433 -1.58492168 -2.69765347 -1.25138978 -1.52385649 -1.02061545 -2.3941636 -3.24460462 -2.61454539 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67-47-0 237332 144213856 A A 5-(Hydroxymethyl)-2-furfural O=Cc1ccc(CO)o1 Tox21_303551 -NCGC00256746-01 196718662 tox21-ror-cho-viability-p1 set2 4 4.8557733675 7.737853108 -3.237853108 4.5 4.9549173134 0.487350549 0.1904269519 0.00753217 0.35076747 -0.06507455 0.09941364 0.78306602 -10.61487759 -8.70991352 -1.23746873 -7.61334957 -5.22844457 -1.64121368 5.59867432 3.71065339 4.76208597 3.69945954 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 15707-23-0 27457 144212930 A F 3-Ethyl-2-methylpyrazine Cc1nccnc1CC Tox21_302613 -NCGC00257040-01 196719065 tox21-ror-cho-viability-p1 set2 4 4.3277125691 8.24499846 -6.74499846 1.5 2.3331733767 0.5972118291 0.0994985774 -4.06469714 -1.65451752 -7.28060643 -2.64564726 -8.24651484 -11.87083205 -9.25456105 -7.2771683 -5.56114775 -8.89931699 -2.58513031 1.55596201 -1.73136753 0.24590687 4.91835127 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 919-30-2 13521 144213647 F Fns 3-Aminopropyltriethoxysilane CCO[Si](OCC)(OCC)CCCN Tox21_303330 -NCGC00259542-01 196706485 tox21-ror-cho-viability-p1 set1 4 0.75957723 -2.01434274 1.71141519 -1.11221037 4.85786452 0.21642875 1.75126672 0.29421659 8.34746819 6.4089603 -1.28186297 2.23866714 0.64073966 3.22613849 -0.73420315 1.1839999999E-9 2.648E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.619E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 106-50-3 7814 144209191 A F 1,4-Benzenediamine Nc1ccc(N)cc1 Tox21_201993 -NCGC00259251-01 196706062 tox21-ror-cho-viability-p1 set1 4 4.9334263 0.07658439 9.3461052 -1.90981302 10.93568819 0.95542506 1.95276927 3.14056183 -5.75492018 15.41468735 1.63066517 0.39606358 0.3418192 2.66205632 0.64356433 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.000018359999999 0.000041049999999 0.000091779999999 150-13-0 978 144208900 A A 4-Aminobenzoic acid OC(=O)c1ccc(N)cc1 Tox21_201702 -NCGC00259103-01 196706078 tox21-ror-cho-viability-p1 set1 -1.2 7.0337099663 -40.8589130832 -6.2344468499 -47.0933599331 0.8999999999 0.9408575167 0.0000209294 -3.75270268 -11.91585091 -8.32554525 -11.6479531 -1.51231388 -2.45985997 -9.79963601 -6.66144242 -10.85116734 -12.82194188 -24.46598939 -29.04947433 -31.94336849 -38.71936198 -45.70901582 1.2049999999E-9 2.694E-9 6.0229999999E-9 1.347E-8 3.012E-8 6.7339999999E-8 1.506E-7 3.367E-7 7.529E-7 0.0000016839999999 0.000003765 0.000008418 0.00001882 0.00004209 0.00009412 97-74-5 7347 144208752 A A Tetramethylthiuram monosulfide CN(C)C(=S)SC(=S)N(C)C Tox21_201554 -NCGC00258816-01 196706478 tox21-ror-cho-viability-p1 set1 4 4.17884289 2.86774466 1.70788784 0.00333392 -2.32028811 -1.09870401 -2.11246653 1.88705388 8.43563782 -1.47843662 -1.68583885 -0.39200294 0.27857563 2.32643735 5.54209173 1.159E-9 2.591E-9 5.794E-9 1.2959999999E-8 2.8969999999E-8 6.478E-8 1.448E-7 3.239E-7 7.2419999999E-7 0.0000016189999999 0.0000036209999999 0.0000080969999999 0.000018109999999 0.00004049 0.00009053 384-22-5 9795 144208462 A A 1-Nitro-2-(trifluoromethyl)benzene O=[N+]([O-])c1ccccc1C(F)(F)F Tox21_201264 -NCGC00259507-01 196706487 tox21-ror-cho-viability-p1 set1 4 7.19579645 -0.33902096 -3.56670539 -16.41807983 -4.30557564 -4.68537112 -7.13531483 -6.66608764 0.32118774 -18.1879402 1.01927375 1.72669809 0.89683798 0.92390371 -4.03615328 1.218E-9 2.7239999999E-9 6.091E-9 1.3619999999E-8 3.045E-8 6.81E-8 1.5229999999E-7 3.405E-7 7.6139999999E-7 0.000001702 0.0000038069999999 0.000008512 0.00001903 0.00004256 0.00009517 1563-38-8 15278 144209156 A A 2,3-Dihydro-2,2-dimethyl-7-benzofuranol Oc1cccc2CC(C)(C)Oc12 Tox21_201958 -NCGC00259825-01 196706896 tox21-ror-cho-viability-p1 set1 4 0.0034796175 22.51553188 -19.51553188 3 0.4999999999 0.5267992094 0.1550193119 -11.38141216 -12.9296099 1.23204588 -8.58129307 -0.33888123 -9.56441336 6.09579687 0.55599762 -0.95649861 8.85563612 0.82147442 0.49351287 4.12389374 0.01170017 3.10716983 1.1919999999E-9 2.6649999999E-9 5.959E-9 1.332E-8 2.98E-8 6.662E-8 1.49E-7 3.331E-7 7.449E-7 0.0000016659999999 0.000003724 0.0000083279999999 0.00001862 0.00004164 0.00009311 94-28-0 7185 144209474 A A Triethylene glycol bis(2-ethylhexanoate) O=C(OCCOCCOCCOC(=O)C(CC)CCCC)C(CC)CCCC Tox21_202276 -NCGC00357273-01 196703175 tox21-ror-cho-viability-p1 set1 4 24.3365162115 -7.248722136 2.5 -4.748722136 2.4729283767 0.4423129908 0.2339871015 0.33596615 6.60677965 3.0775887 -0.08841091 0.44381607 0.79998391 3.42308711 -0.02760384 4.49604151 0.63115082 8.61102259 1.20637403 -0.26882217 -2.60960723 -4.79060178 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-86-0 60982 251919823 A 2-Ethoxy-5-(1-propenyl)phenol CCOc1ccc(cc1O)C=CC Tox21_303945 -NCGC00258183-01 196702764 tox21-ror-cho-viability-p1 set1 4 49.3984111494 -13.217876848 -1 -14.217876848 3.0654483358 0.5843384107 0.1092101379 -0.50427801 -0.17760566 -4.48673033 0.0112676 -4.93625541 0.15992402 3.69418544 0.21427418 2.94248638 -4.142209 -0.29844918 -4.8017708 1.8565376 -6.63752454 -12.68156404 1.197E-9 2.676E-9 5.9849999999E-9 1.338E-8 2.992E-8 6.691E-8 1.496E-7 3.346E-7 7.481E-7 0.000001673 0.00000374 0.000008364 0.000018699999999 0.000041819999999 0.00009351 2905-62-6 76191 144207827 B F 3,5-Dichlorobenzoyl chloride Clc1cc(cc(Cl)c1)C(Cl)=O Tox21_200629 -NCGC00260272-01 196703168 tox21-ror-cho-viability-p1 set1 -1.1 2.4228198971 -67.762672356 -5.930015602 -73.692687958 4.4494702849 0.925626536 0.0000705588 -0.0854199 -0.78805233 -2.60916701 -0.88995332 -4.60209659 -11.5526509 -17.53910665 -3.813166 -10.56800167 -21.34218384 -69.19463202 -84.60887415 -69.2477564 -51.20218747 -88.36053712 1.2939999999E-9 2.8939999999E-9 6.4699999999E-9 1.447E-8 3.2349999999E-8 7.234E-8 1.6179999999E-7 3.617E-7 8.0879999999E-7 0.000001809 0.000004044 0.000009043 0.00002022 0.000045209999999 0.00010109999999 1166-52-5 14425 144209922 A A Dodecyl gallate Oc1cc(cc(O)c1O)C(=O)OCCCCCCCCCCCC Tox21_202724 -NCGC00357252-01 196703174 tox21-ror-cho-viability-p1 set1 4 -1.10947181 2.77750336 2.45317043 -1.24594274 0.4764873 2.67238648 -3.08832644 -0.18186059 -0.3778103 -1.85943772 0.76228096 0.55793 2.64917375 -5.61859017 4.14930163 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23726-91-2 91759532 251919887 F (E)-beta-Damascone CC=1CCCC(C)(C)C=1C(=C)\C=C\C Tox21_304045 -NCGC00260361-01 196703180 tox21-ror-cho-viability-p1 set1 4 -1.89393409 5.03631812 2.31496916 0.14136896 1.92970374 2.0451923 3.04475224 0.20055662 1.45661669 2.20956481 0.29200615 -7.81311253 2.5725275 2.28962796 2.09539111 1.1919999999E-9 2.6649999999E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.662E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004164 0.000093099999999 2417-72-3 256687 144210013 F A Benzoic acid,4-(bromomethyl)-,methylester BrCc1ccc(cc1)C(=O)OC Tox21_202815 -NCGC00357192-01 196703182 tox21-ror-cho-viability-p1 set1 4 4.24177402 -2.39575559 7.29359818 -1.65246781 -1.45942892 1.95642463 -4.76442485 1.62308319 1.54819312 1.08904187 -1.93550202 6.25109973 0.70863209 -0.20409854 1.49988953 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_57890 251919991 Anti-OP-18/Stathmin antibody produced in rabbit Tox21_303959 -NCGC00357222-01 196703584 tox21-ror-cho-viability-p1 set1 4 -0.10725801 0.55092412 1.81521384 0.90364648 -3.31688189 -1.25380361 -1.18139838 -0.77244931 0.35112669 -1.17532309 -1.59853744 0.93156049 -0.70403766 -1.342441 -1.58004712 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 616-47-7 1390 251919921 A 1-Methylimidazole Cn1ccnc1 Tox21_304006 -NCGC00255973-01 196700530 tox21-ror-cho-viability-p1 set1 4 2.1689942904 7.4847491039 -5.9847491039 1.5 4.9549173134 0.6514316322 0.0637689159 -5.37549087 -7.81879992 -6.24678492 -9.20249206 -9.98729092 -1.70128175 -5.29084533 -0.83175729 -6.44860238 -4.67127264 0.99668345 4.61704821 1.56884045 -0.31614461 -0.08549704 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1493-13-6 62406 144212500 A A Trifluoromethanesulfonic acid FC(F)(F)S(=O)(=O)O Tox21_302183 -NCGC00255441-01 196700118 tox21-ror-cho-viability-p1 set1 4 15.3553036427 6.9160817759 -2.4160817759 4.5 3.9294729863 0.6081345781 0.1073297309 -0.9604097 -2.35121207 -7.01340148 -1.61384948 -2.61893237 -2.52942898 -2.51070616 -0.50712628 0.54530975 -3.85366027 -2.200411 -2.78416264 2.69689971 4.39164826 -1.76868299 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 29973-13-5 34766 144211673 A A Ethiofencarb O=C(Oc1ccccc1CSCC)NC Tox21_301356 -NCGC00255629-01 196700121 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -37.05318974 0 -37.05318974 4.9549173134 0.8955952138 0.0004003173 -4.52695791 -0.21808934 1.36425424 3.8130345 -6.78056325 -0.55300035 0.1518858 0.32197769 0.25827104 1.03346678 -0.45206767 0.57237471 1.00998198 0.68053907 -30.46099145 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21609-90-5 30709 144212220 A F Leptophos Clc2cc(OP(=S)(OC)c1ccccc1)c(Cl)cc2Br Tox21_301903 -NCGC00255595-01 196700122 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -74.1560176832 1.8087972825 -72.3472204007 4.9549173134 0.9882786625 2.1E-9 3.35090027 -0.64192859 0.8657371 1.60195199 1.09951936 1.31949977 1.26584119 -0.84050084 0.27450051 3.1847301 5.21514927 0.48847427 1.11079946 -1.62847524 -58.60890508 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51229-78-8 6435993 144212263 A Chloroallyl methenamine chloride [Cl-].Cl\C=C/C[N+]13CN2CN(CN(C1)C2)C3 Tox21_301946 -NCGC00249900-01 196698478 tox21-ror-cho-viability-p1 set1 4 0.6682424727 4.1637053279 -1.1637053279 3 4.9549173134 0.3287631363 0.3586986161 -2.84189929 -0.02532876 -0.34449093 5.18832318 -2.49881535 -1.6858636 -0.45906815 0.17022305 -7.21975444 3.85014574 3.1339408 3.35788145 3.55811621 0.88213611 -0.97828819 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71574-35-1 10330781 170465551 A A Glyceryl 1-(2-aminobenzoate) Nc1ccccc1C(=O)OCC(O)CO Tox21_113676 -NCGC00015073-05 196698059 tox21-ror-cho-viability-p1 set1 4 -3.51995535 -1.06156201 -2.28524528 1.89972094 3.61938672 1.37705419 0.90983248 3.17783165 -37.16518752 1.01708193 -1.26598654 0.27447371 0.02937248 0.8949472 4.74262356 1.1799999999E-10 2.638E-10 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 20537-88-6 2141 170465179 F Amifostine OP(=O)(O)SCCNCCCN Tox21_110077_1 -NCGC00160654-06 196698472 tox21-ror-cho-viability-p1 set1 4 1.75681372 1.99832478 3.41034152 2.38307438 2.06319191 4.15924504 0.80277554 5.8295887 -0.94519515 0.43144307 1.73277921 3.11651626 3.06112723 1.40463145 2.62985189 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 120-47-8 8434 170465715 A Ethylparaben Oc1ccc(cc1)C(=O)OCC Tox21_111961_1 -NCGC00024512-07 196698474 tox21-ror-cho-viability-p1 set1 4 -3.35074014 0.16654115 -0.32606905 -0.4822635 1.51274931 -2.20708469 -1.417368 0.21812448 -0.98059143 -2.4347077 0.98113815 -1.71928127 1.0361248 1.09193752 -0.69085262 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 407-41-0 68841 170466581 F Dexfosfoserine O=P(O)(O)OC[C@H](N)C(=O)O Tox21_112050_1 -NCGC00263473-01 196698480 tox21-ror-cho-viability-p1 set1 4 0.4948549 0.97354048 0.5766114 -1.3394644 0.86067758 -0.67918999 -1.07121731 -1.83131073 2.91979937 1.55478875 0.74005583 -0.46848253 1.26057714 2.76848178 2.81970252 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5072-45-7 6420071 170466506 Z cis-Nanophine hydrochloride Cl.C[C@@H]1CCC[C@H](C)N1 Tox21_110546_1 -NCGC00164283-07 196698482 tox21-ror-cho-viability-p1 set1 -2.1 29.8492948118 -92.1533027438 -2.335029991 -94.4883327348 2.5334283767 0.9723571438 3.047E-7 0.53558227 0.63186602 -1.64352754 -0.65492773 -4.96183124 -2.94569688 -3.14175773 -0.0558877 -1.27806975 -3.53017082 -0.56366413 -3.00244446 -15.3574957 -23.40438101 -72.71843389 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-09-0 5974 170465714 F Hexadecyltrimethylammonium bromide [Br-].C[N+](C)(C)CCCCCCCCCCCCCCCC Tox21_112096_1 -NCGC00016421-07 196698483 tox21-ror-cho-viability-p1 set1 4 1.8833631789 6.544614004 -5.544614004 1 3.0654483358 0.5876375457 0.1070643758 -8.37051167 -0.61315441 -8.13788942 -6.02006156 -5.10141771 -5.61280548 -7.96636024 -0.00097635 -7.61100253 -5.47487567 -1.89853271 -0.24152046 1.43887442 0.21559325 1.88527438 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 303-25-3 67533 170465270 A Cyclizine hydrochloride Cl.Cl.CN1CCN(CC1)C(c2ccccc2)c3ccccc3 Tox21_110433_1 -NCGC00091602-02 196698880 tox21-ror-cho-viability-p1 set1 4 3.58747599 -1.88187272 -0.71279654 6.55637767 4.66612244 6.60309049 3.57467016 3.1305089 -3.11818897 -2.98143654 -1.13514812 0.91973889 -0.54645515 5.92937088 6.49507268 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00254227-01 196698882 tox21-ror-cho-viability-p1 set1 4 54.4826732819 11.5752251319 -1.0752251319 10.5 4.4494702849 0.8463516292 0.0025914529 -1.99104961 0.15753039 -2.13230017 -2.56268761 0.94932462 -0.907654 -0.40943855 -1.85385314 1.05281809 -2.54465682 -0.51123237 -2.21520353 -2.1846502 1.4278811 9.73326119 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-48-5 6479 144210478 A F 1,3-Dibromo-5,5-dimethylhydantoin O=C1N(Br)C(=O)N(Br)C1(C)C Tox21_300158 -NCGC00090858-02 196729200 tox21-ror-cho-viability-p1 set3 4 19.3311819617 16.7837446279 -3.2837446279 13.5 4.9549173134 0.5138010901 0.1827863281 -2.44377328 0.39090919 -1.51133056 -2.08690378 0.61867636 -4.08463718 -3.83256848 -3.21337125 6.11496495 -8.76963397 -11.06978719 -10.81785203 3.85974654 13.40371087 -4.89349914 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00257967-01 196729201 tox21-ror-cho-viability-p1 set3 4 0.0887255549 5.910744932 0.089255068 6 2.4063783767 0.5504142637 0.1363527216 0.48882673 0.56470443 -2.00895411 0.6265 1.16252301 1.18572014 5.52995339 6.33418925 6.9438706 10.98569807 2.02209851 0.1543201 6.99507796 5.65674911 9.17205359 1.2069999999E-9 2.699E-9 6.0359999999E-9 1.3499999999E-8 3.0179999999E-8 6.7489999999E-8 1.509E-7 3.3739999999E-7 7.5449999999E-7 0.000001687 0.000003773 0.000008436 0.00001886 0.00004218 0.00009431 111-90-0 8146 144207611 A A 2-(2-Ethoxyethoxy)ethanol OCCOCCOCC Tox21_200413 -NCGC00091650-03 196728799 tox21-ror-cho-viability-p1 set3 4 6.1130564862 -5.6297881199 3.5 -2.1297881199 4.9549173134 0.5043466153 0.1764258496 -1.03227527 0.75901576 4.22154971 4.49481272 0.11912505 2.07989651 6.61893632 6.5517216 3.07629636 4.71674357 6.40836773 -2.48149326 -2.88824531 0.40495149 -3.4414901 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00256113-01 196728803 tox21-ror-cho-viability-p1 set3 4 -1.91918717 2.98347704 2.33155273 -1.69344438 -1.14431417 -0.3998294 2.4497681 1.79182886 2.48763622 5.20629658 1.1797826 -1.16681194 -1.22346753 -2.22097638 8.81079195 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 83016-70-0 3086157 144211828 A A 2-[{2-[2-(Dimethylamino)ethoxy]ethyl}(methyl)amino]ethanol CN(C)CCOCCN(C)CCO Tox21_301511 -NCGC00257790-01 196729618 tox21-ror-cho-viability-p1 set3 4 -4.75616786 -4.02130507 -2.5414602 -3.73923713 -6.17351323 -3.65077994 -4.26764655 -3.93336095 -7.18955656 -3.20178497 -4.59112342 -4.36873462 -7.29940463 -9.18746701 -10.31115015 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041219999999 0.00009218 6197-30-4 22571 144207434 A A 2-Ethylhexyl-2-cyano-3,3-diphenylacrylate CCC(CCCC)COC(=O)C(\C#N)=C(\c1ccccc1)c2ccccc2 Tox21_200236 -NCGC00258463-01 196729620 tox21-ror-cho-viability-p1 set3 4 30.7625294801 15.722102552 -1.722102552 14 3.1319983358 0.9160539422 0.0001340545 -3.31006403 -0.58246603 1.65064076 -1.44346709 -2.38282421 -3.31345274 -1.65505025 -1.77735487 -2.51976907 -3.93508546 -3.42275652 0 0.40161439 8.93920568 14.95229662 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004135 0.00009247 576-24-9 11334 144208107 Z Z 2,3-Dichlorophenol Oc1cccc(Cl)c1Cl Tox21_200909 -NCGC00258176-01 196729623 tox21-ror-cho-viability-p1 set3 4 11.4146410626 13.6688405159 -0.6688405159 13 2.7202212143 0.9101386482 0.0001896581 0.02131221 0.65543053 -0.80215215 -0.27417214 -5.14070043 -0.33308099 -2.46649735 -0.35073324 1.32087411 -0.36741245 0.09399083 2.33519903 11.65026329 13.5143128 11.05806781 1.229E-9 2.7469999999E-9 6.143E-9 1.374E-8 3.072E-8 6.868E-8 1.5359999999E-7 3.4339999999E-7 7.679E-7 0.000001717 0.000003839 0.000008585 0.0000192 0.00004293 0.00009599 625-48-9 12252 144207820 A 2-Nitroethanol [O-][N+](=O)CCO Tox21_200622 -NCGC00258024-01 196729628 tox21-ror-cho-viability-p1 set3 4 -0.60989527 0.64859559 1.72010514 0.78916271 2.12598688 -1.29867835 1.73132211 2.42760564 -0.9986783 2.84518048 2.193578 1.23629079 0.33240437 -2.81020246 0.71187731 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.65E-8 1.487E-7 3.325E-7 7.4339999999E-7 0.000001662 0.0000037169999999 0.000008312 0.00001859 0.00004156 0.00009293 107-83-5 7892 144207668 FNS 2-Methylpentane CC(C)CCC Tox21_200470 -NCGC00258164-01 196730032 tox21-ror-cho-viability-p1 set3 4 6.61415892 3.00006135 1.19118235 5.17328021 2.45247684 5.46135941 4.41823852 1.28023994 0.00508708 0.0820012 1.55727772 -1.80613643 -0.59078448 2.31982861 7.80387847 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.961E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.000003701 0.000008275 0.0000185 0.00004137 0.000092519999999 874-80-6 2734238 144207808 A A 1-Butylpyridinium bromide [Br-].CCCC[n+]1ccccc1 Tox21_200610 -NCGC00095042-06 196730035 tox21-ror-cho-viability-p1 set3 4 0.84268107 -1.46380525 -1.19200677 0 -0.3184072 0.13220509 -1.39102875 2.80987711 3.0386677 -0.30618518 1.64748656 0.07151193 1.03566726 3.4563743 3.2388056 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00257570-01 196730044 tox21-ror-cho-viability-p1 set3 4 27.7787679881 17.3169974 -2.3169974 15 4.9549173134 0.6770997568 0.0491469005 2.3501792 0.73165293 3.23573611 -7.24846303 2.55248861 -7.7641645 -1.83547071 2.05036379 -7.10027988 -4.05060965 -2.31782827 -6.93565526 -2.41172094 15.28342843 13.27249205 1.197E-9 2.676E-9 5.9839999999E-9 1.338E-8 2.992E-8 6.69E-8 1.496E-7 3.345E-7 7.479E-7 0.0000016719999999 0.00000374 0.0000083619999999 0.000018699999999 0.00004181 0.000093489999999 443-72-1 67955 144207214 A B (N-6)-Methyladenine CNc2ncnc1ncnc12 Tox21_200016 -NCGC00258320-01 196730447 tox21-ror-cho-viability-p1 set3 4 62.8128825504 11.573665732 -1.073665732 10.5 4.9549173134 0.9153508098 0.0001446437 -2.56138811 -0.99634519 -1.88558692 -0.43575647 -2.40171526 -1.572348 -0.95944653 -0.50874612 -0.25523932 -1.82949156 0.27542297 -0.39461761 -1.43507091 0.48173755 9.18701603 1.2069999999E-9 2.699E-9 6.0359999999E-9 1.3499999999E-8 3.0179999999E-8 6.7479999999E-8 1.509E-7 3.3739999999E-7 7.5449999999E-7 0.000001687 0.0000037719999999 0.000008435 0.00001886 0.00004218 0.00009431 1477-55-0 15133 144207964 D 1,3-Benzenedimethanamine NCc1cccc(CN)c1 Tox21_200766 -NCGC00257004-01 196718812 tox21-ror-cho-viability-p1 set2 -1.2 9.6885416101 -50.74458788 -1.662572056 -52.407159936 3.5722481694 0.9735439871 7.801E-7 0.28439011 -6.44280721 0.22200285 -2.16782338 -4.10722965 -4.87239335 -0.88786287 -4.29630461 1.46877879 -0.37838693 2.03492896 -23.39110847 -46.26161307 -54.5907916 15.03884468 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 138-89-6 8749 144213366 A A N,N-Dimethyl-4-nitrosoaniline CN(C)c1ccc(N=O)cc1 Tox21_303049 -NCGC00256717-01 196719234 tox21-ror-cho-viability-p1 set2 4 0.088183981 3.492867504 -0.992867504 2.5 4.9549173134 0.3762049309 0.2993373185 -2.15575405 0.15993128 -0.31719541 1.6637237 -5.41072292 -0.26025496 2.10796053 -0.36524284 4.10106164 2.97372474 3.4834613 -0.50024301 0.02476509 2.81556046 5.70369198 1.0909999999E-9 2.44E-9 5.4559999999E-9 1.22E-8 2.7279999999E-8 6.0999999999E-8 1.3639999999E-7 3.05E-7 6.82E-7 0.0000015249999999 0.00000341 0.000007625 0.00001705 0.00003813 0.00008525 151-73-5 65478 144212784 A F Betamethasone 21-phosphate disodium [Na+].[Na+].[O-]P([O-])(=O)OCC(=O)[C@@]4(O)[C@@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_302467 -NCGC00256936-01 196719215 tox21-ror-cho-viability-p1 set2 4 -0.08604788 0.45674905 0.68793697 -0.24125671 -0.4802778 2.54868014 -1.17842259 -1.70511591 -0.16664215 3.16408523 0 1.31344478 4.49083424 4.39181267 0.08229267 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-18-2 61057 144213475 A 2,6,8-Trimethyl-4-nonanone CC(C)CC(C)CC(=O)CC(C)C Tox21_303158 -NCGC00256690-01 196719226 tox21-ror-cho-viability-p1 set2 4 -5.50965194 -3.16122688 -4.29120656 -5.00445348 -4.00790775 -3.79325403 -5.61063019 -1.89995828 0.81848296 0.057995 -2.95688697 -1.71139983 -2.12837942 -1.15689545 -4.80205123 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 644-08-6 12566 144212927 A Ac 4-Phenyltoluene Cc1ccc(cc1)c2ccccc2 Tox21_302610 -NCGC00016106-13 196697371 tox21-ror-cho-viability-p1 set1 4 -0.46688193 -6.2759289 -1.27365663 -5.66928547 2.63424643 -3.71789551 0.66455221 -0.74841199 1.35461653 0.07873889 -6.16382023 2.60363894 -1.82433337 -2.24474323 -3.16435358 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 101975-10-4 5723 170466644 A Zardaverine FC(F)Oc1ccc(cc1OC)C=2C=CC(=O)NN=2 Tox21_110307_1 -NCGC00015442-15 196697374 tox21-ror-cho-viability-p1 set1 4 18.8336317891 6.9004223839 -2.4004223839 4.5 1.98874246 0.3382015866 0.3350698771 -5.86448937 0.28104301 0.63062894 -0.12131696 -3.43849653 -1.26403516 -6.58368532 1.16990926 -4.5789199 -4.3659882 -0.18334111 -4.29223683 -0.04421079 1.05489147 3.70207094 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-21-8 3385 170464762 Z Fluorouracil FC1=CNC(=O)NC1=O Tox21_110150_1 -NCGC00165787-03 196697377 tox21-ror-cho-viability-p1 set1 4 0.85165523 9.04017492 3.39121772 0.47870284 -0.85798309 0.12434821 2.35867095 1.10482833 2.05180296 -4.71408656 0.54484449 2.85290843 0.80786377 0.19714277 2.30035349 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79094-20-5 54343 170466199 A Daltroban O=S(=O)(NCCc1ccc(CC(=O)O)cc1)c2ccc(Cl)cc2 Tox21_112262_1 -NCGC00166294-03 196697380 tox21-ror-cho-viability-p1 set1 4 4.75052334 6.60903656 5.68535292 0.6037948 3.38722462 7.22785477 8.25415205 10.08910495 1.36116083 2.32515554 3.55211224 7.92794806 10.47386478 4.21239446 2.25976818 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 110871-86-8 60464 170465370 A Sparfloxacin C[C@@H]1CN(C[C@H](C)N1)c2c(F)c(N)c3c(c2F)N(C=C(C3=O)C(=O)O)C4CC4 Tox21_111580_1 -NCGC00094646-04 196697390 tox21-ror-cho-viability-p1 set1 4 1.30324017 0.81576347 -1.39378449 -1.15855562 0.32189126 1.31527596 -0.96082816 -1.0240969 0.62341349 -2.15293178 1.01376797 1.26434332 0.38939173 -5.81335442 -6.7773782 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 132-65-0 3023 170465511 F Dibenzothiophene c1cccc2sc3ccccc3c12 Tox21_111308_1 -NCGC00013565-03 196697424 tox21-ror-cho-viability-p1 set1 4 0.94379037 6.61607599 2.1555289 4.35296616 3.9235595 3.24707061 1.98827854 2.07475194 1.64251376 1.03999677 -0.69704468 3.62774765 3.18900604 4.08033339 3.4661412 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 328-38-1 439524 170465492 A D-Leucine CC(C)C[C@@H](N)C(=O)O Tox21_112049_1 -NCGC00183013-01 196697433 tox21-ror-cho-viability-p1 set1 4 18.8336317891 9.426451104 -4.426451104 5 3.1319983358 0.6023835892 0.096690298 -1.87315861 -5.9177942 -2.68566619 -4.92044423 -6.05573008 -1.80647966 -2.57025613 -3.11819871 -5.18948167 -1.7165828 -4.54923779 -9.10537592 -4.85326785 2.13402686 4.17462379 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 149838-23-3 164486 144206845 A A Doranidazole OC[C@@H](O)[C@H](CO)OCn1ccnc1[N+]([O-])=O Tox21_113294 -NCGC00165810-02 196697435 tox21-ror-cho-viability-p1 set1 4 0.01738735 1.67878283 -3.78571663 -4.12629309 1.25223931 -3.48455885 -2.45014694 1.09091296 2.21657769 -0.95699577 1.62547308 -4.23238549 0.39524888 1.19352267 -0.3256134 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 38821-52-2 38102 170466233 A Indoramin hydrochloride Cl.O=C(NC3CCN(CCc1cnc2ccccc12)CC3)c4ccccc4 Tox21_112265_1 -NCGC00260350-01 196703162 tox21-ror-cho-viability-p1 set1 4 62.0019276794 -14.232688164 1.5 -12.732688164 4.0949729863 0.7783009057 0.0123879434 -1.3925377 3.19553632 1.56577564 2.05767295 1.09447515 0.44138451 2.95118028 3.36712951 -1.56900567 3.48023154 0.65176633 1.59711107 -0.9038063 -0.63414608 -10.61057347 1.194E-9 2.6689999999E-9 5.969E-9 1.335E-8 2.9839999999E-8 6.6729999999E-8 1.4919999999E-7 3.337E-7 7.4609999999E-7 0.000001668 0.0000037309999999 0.000008342 0.00001865 0.00004171 0.00009326 14075-53-7 518872 144210002 Potassium tetrafluoroborate [K+].F[B-](F)(F)F Tox21_202804 -NCGC00258264-01 196702746 tox21-ror-cho-viability-p1 set1 4 0.0124332029 -10.1281119079 -2 -12.1281119079 1.0999999999 0.3262725993 0.3429799892 -1.79789063 -8.63972417 -2.56555679 -4.01892414 -10.81199453 -13.51799959 -16.77342659 -10.72003239 0.68112149 -8.59399472 -11.53555677 -16.68113868 -16.34608779 -12.84977591 -12.72903001 1.1989999999E-9 2.6809999999E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.701E-8 1.4979999999E-7 3.351E-7 7.492E-7 0.000001675 0.000003746 0.000008377 0.00001873 0.00004188 0.00009365 50-32-8 2336 144207908 F Benzo(a)pyrene c1cc2c3ccc4cccc5ccc(cc2cc1)c3c45 Tox21_200710 -NCGC00260169-01 196703156 tox21-ror-cho-viability-p1 set1 4 2.87555196 -4.7889073 -0.91428568 0.49838913 -1.07076741 1.13036244 -0.10318623 2.16867409 -0.32476004 -4.29644401 2.93504382 -9.89179781 1.42622868 1.06201447 1.72691031 1.187E-9 2.6549999999E-9 5.936E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.318E-7 7.42E-7 0.000001659 0.0000037099999999 0.0000082959999999 0.00001855 0.000041479999999 0.000092749999999 174501-65-6 2734178 144209819 A A 1-Butyl-3-methylimidazolium tetrafluoroborate CCCCn1cc[n+](C)c1.F[B-](F)(F)F Tox21_202621 -NCGC00357075-01 196703157 tox21-ror-cho-viability-p1 set1 -2.2 61.130564862 -57.5763765578 -3.6881147829 -61.2644913407 1.4641 0.8975835482 0.0003629039 -3.45625269 -10.60392675 -0.65643456 -2.98880801 0.46865439 -1.96211585 -4.56737637 -3.27107325 -2.84795176 -4.66677519 -7.64424034 -8.83591938 -13.17785455 -16.37613432 -46.41249344 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-25-4 7492 251919650 A 1,4-Dinitrobenzene O=[N+]([O-])c1ccc(cc1)[N+]([O-])=O Tox21_303785 -NCGC00260186-01 196703164 tox21-ror-cho-viability-p1 set1 -2.1 54.0397254733 -122.0370233546 -2.782094845 -124.8191181996 1.713743691 0.967518536 7.609E-7 3.26101042 2.0595299 1.05868559 0.36846202 -1.43442153 -4.31489459 -0.28074402 -5.99584977 -1.13135753 -8.25491214 -10.57136866 -13.17663371 -21.71000135 -42.340138 -94.55993803 1.172E-9 2.6199999999E-9 5.859E-9 1.31E-8 2.9299999999E-8 6.551E-8 1.465E-7 3.275E-7 7.324E-7 0.0000016379999999 0.000003662 0.0000081889999999 0.00001831 0.00004094 0.000091549999999 848641-69-0 53316406 144209836 F 1-Ethyl-3-methylimidazolium diethylphosphate C[n+]1ccn(CC)c1.[O-]P(=O)(OCC)OCC Tox21_202638 -NCGC00260192-01 196703559 tox21-ror-cho-viability-p1 set1 4 1.06039071 -0.7674421 -6.45476682 -3.33883062 -2.27652603 0.77533226 -0.04301473 -2.33270924 -2.90404813 -13.47254421 -3.67324896 0.54354668 -6.25191616 -7.97026162 -2.93684831 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3079999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.000008269 0.000018489999999 0.00004135 0.00009245 143314-16-3 2769348 144209842 A A 1-Ethyl-3-methylimidazolium tetrafluoroborate F[B-](F)(F)F.C[n+]1ccn(CC)c1 Tox21_202644 -NCGC00260269-01 196703563 tox21-ror-cho-viability-p1 set1 4 -0.36882459 -1.77069209 -11.36575486 -2.72597789 -0.24034575 1.45382596 -12.3250951 -4.28256097 2.79497268 -1.70969533 -5.54391881 -8.17988515 -8.99869082 1.11099894 -1.97176652 1.281E-9 2.8639999999E-9 6.404E-9 1.4319999999E-8 3.202E-8 7.1599999999E-8 1.6009999999E-7 3.5799999999E-7 8.005E-7 0.00000179 0.000004003 0.0000089499999999 0.00002001 0.00004475 0.0001001 112-71-0 8208 144209919 F Fns 1-Bromotetradecane BrCCCCCCCCCCCCCC Tox21_202721 -NCGC00357225-01 196703570 tox21-ror-cho-viability-p1 set1 4 29.8492948118 12.90838416 0.09161584 13 4.5044702849 0.7374758908 0.023891472 -0.08411854 -0.70452343 -1.65448281 -0.92313769 0.72005267 -1.57018502 1.06462778 5.03417352 -2.0069868 1.53748016 -1.79099019 0.18598352 0.80753025 2.01707491 11.4460394 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104-87-0 7725 251919762 Bc 4-Methylbenzaldehyde Cc1ccc(C=O)cc1 Tox21_304012 -NCGC00357013-01 196703577 tox21-ror-cho-viability-p1 set1 4 2.5918491848 -6.1604523959 0 -6.1604523959 4.9549173134 0.3740752474 0.2981005918 -8.02576136 2.09871325 1.37589582 -2.00689087 -1.13624585 3.22549121 2.96695636 -0.79770404 1.03441168 2.5314017 0.465187 -0.21312582 -8.52062015 -0.30123639 -10.13371033 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 2439-01-2 17109 251919707 F Chinomethionate Cc1ccc2nc3SC(=O)Sc3nc2c1 Tox21_303968 -NCGC00025132-04 196698189 tox21-ror-cho-viability-p1 set1 4 0.75444848 -2.33604731 0.36780665 -4.5350947 0.77428334 -3.83796948 -6.46951393 -0.28077935 1.71194443 3.30751453 -0.70897002 0.11127268 -2.39282796 2.68968107 2.77740726 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94535-50-9 93504 170466479 A Levcromakalim O=C3CCCN3[C@@H]1c2cc(ccc2OC(C)(C)[C@H]1O)C#N Tox21_110948_1 -NCGC00182025-01 196698178 tox21-ror-cho-viability-p1 set1 4 0.14041424 -0.24012768 0.91408837 -0.76481879 2.75491741 1.49700023 2.55027363 -0.54005202 -0.8239556 0.99201171 0.18297474 -1.29204377 1.40565505 0.10023966 2.17641637 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 927-19-5 80278 144206504 Z Z Dipotassium glycerophosphate [K+].[K+].[O-]P([O-])(=O)OCC(O)CO Tox21_112951 -NCGC00260517-01 196724767 tox21-ror-cho-viability-p1 set3 4 0.1526165797 5.1705294999 -5.1705294999 0 3.5117481694 0.3981340853 0.2749474807 -1.4382594 1.70926253 -10.79306209 -2.80459869 -10.97544125 -8.13396979 -1.63220102 -1.04290906 -1.07535952 2.3475174 0.34816581 1.08383668 -0.54352744 -1.27588107 1.02633004 1.1739999999E-9 2.626E-9 5.871E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.282E-7 7.339E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.000091739999999 153-78-6 1539 144210169 A A 2-Aminofluorene Nc1ccc2c3ccccc3Cc2c1 Tox21_202971 -NCGC00357000-01 196724341 tox21-ror-cho-viability-p1 set3 4 2.7306020303 -9.8502757479 7.5 -2.3502757479 4.9549173134 0.5963628016 0.0997071995 -2.56760521 5.41402105 4.20474921 6.91396346 8.94578298 8.2788673 14.03650532 9.47356884 8.86286087 12.22146206 -2.05643194 -3.62522979 -1.6345197 -2.61031763 -0.63971016 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 35045-02-4 37028 251919983 A Metribuzin-DA CC(C)(C)C1=NN=C(SC)NC1=O Tox21_303904 -NCGC00260494-01 196724343 tox21-ror-cho-viability-p1 set3 -2.4 60.7577547203 -26.466817296 -1.5 -27.966817296 2.4063783767 0.6757169218 0.0499096659 -3.57601058 5.71479155 1.82497421 -5.19054152 6.22784093 -0.9263478 -2.96784478 -4.55762154 -6.65966742 -3.47512467 -0.5609962 -2.05761404 -2.76218944 -8.83265368 -20.80568108 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.282E-7 7.34E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.00009175 84-79-7 3884 144210146 A B Lapachol C/C(C)=C\CC=2C(=O)c1ccccc1C(=O)C=2O Tox21_202948 -NCGC00357042-01 196724766 tox21-ror-cho-viability-p1 set3 4 0.1368542878 9.5972675679 -6.0972675679 3.5 0.6 0.6459787744 0.0670891053 -5.00343174 -3.88258804 -8.41438964 -6.1813109 2.84805623 -5.39097868 -1.79956471 0.84025845 -0.30930803 4.01626267 0.91312487 3.3774065 0.17429597 3.81500504 4.26218624 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 763-32-6 12988 251919942 A 3-Methylbut-3-en-1-ol C=C(C)CCO Tox21_303733 -NCGC00017400-10 196725162 tox21-ror-cho-viability-p1 set3 4 0.0473079441 8.5 2 10.5 1.9673362061 0.4043004973 0.2678563381 0.64370561 2.19140459 1.1429448 3.63464948 1.87363552 6.04886421 2.95937373 20.73638625 9.67575413 15.99686442 12.47706646 5.37068183 1.70742825 6.00970641 14.12407659 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 511-12-6 10531 170465012 A Dihydroergotamine CN1C[C@@H](C[C@@H]2c3cccc4ncc(C[C@@H]12)c34)C(=O)N[C@]8(C)O[C@]7(O)N([C@@H](Cc5ccccc5)C(=O)N6CCC[C@H]67)C8=O Tox21_110821_1 -NCGC00018187-09 196725179 tox21-ror-cho-viability-p1 set3 -2.4 33.4914596268 -23.6870114279 -2.5 -26.1870114279 4.9549173134 0.7611614402 0.0163955914 -4.21571933 -3.76325292 1.01195883 -1.50867534 -0.91579356 -2.88937954 1.75183378 1.56218773 -7.12846922 -8.1662942 -2.6855583 -3.0650239 -4.07904622 -3.53469596 -22.23917619 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 298-57-7 1547484 170465920 A Cinnarizine c1ccccc1C(c2ccccc2)N3CCN(CC3)C/C=C/c4ccccc4 Tox21_110109_1 -NCGC00258685-01 196729332 tox21-ror-cho-viability-p1 set3 4 0.17829772 0.33657144 2.52235137 0.758558 3.12553677 0.63019215 3.30549032 1.23938864 1.78454572 1.99354616 2.664734 1.50845296 -2.12726894 -2.98892909 -2.55611023 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.000018359999999 0.000041049999999 0.000091779999999 149-44-0 23689980 144208331 AC Ac Sodium hydroxymethanesulfinate [Na+].[O-]S(=O)CO Tox21_201133 -NCGC00255487-01 196728926 tox21-ror-cho-viability-p1 set3 4 76.9588215421 8.7531157439 -0.7531157439 8 4.0949729863 0.4086875737 0.2690344957 -0.73924124 -2.59897238 0.4239697 -1.75158358 -0.06087414 0.6532053 -2.82641198 -4.04908989 2.29323899 0.05429835 0.40407924 -4.79426312 0.54098409 -0.18053812 5.24920516 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 138-87-4 8748 144212695 Z F beta-Terpineol CC1(O)CCC(CC1)C(=C)C Tox21_302378 -NCGC00255127-01 196728931 tox21-ror-cho-viability-p1 set3 4 5.4482673282 -7.394204508 2 -5.394204508 4.9549173134 0.3699213373 0.3012678773 0 -4.10736224 4.20579956 1.40896443 -4.24852785 -5.28885563 6.9971368 5.50619285 5.69332121 4.34558895 7.17705735 -8.66183709 -5.71330082 -3.87453078 -3.87594681 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69-53-4 6249 144211733 D Ampicillin OC(=O)[C@@H]2N3C(=O)[C@@H](NC(=O)[C@H](N)c1ccccc1)[C@H]3SC2(C)C Tox21_301416 -NCGC00255653-01 196728937 tox21-ror-cho-viability-p1 set3 4 -1.02487444 -5.13485699 11.78048802 0.91464763 -2.28616118 -1.87093367 -1.32582733 1.3973068 1.27976208 -1.82305557 3.41903398 3.26715566 6.07157168 -4.60665864 1.12503359 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 72269-48-8 5365748 144212081 A Ac (E)-4-Tridecen-l-yl acetate CC(=O)OCCC\C=C\CCCCCCCC Tox21_301764 -NCGC00258440-01 196729339 tox21-ror-cho-viability-p1 set3 2.4 37.9376181015 23.2113341 -3.2113341 20 0.4999999999 0.6765933884 0.049489648 0.72176007 -10.17611175 0.58813692 -1.25290057 -7.19365601 -0.51663609 0.39200271 -0.99592126 2.20880674 0.5027705 2.41296466 1.11551663 11.97416051 6.38790219 13.37924828 1.552E-9 3.471E-9 7.7619999999E-9 1.736E-8 3.8809999999E-8 8.6779999999E-8 1.94E-7 4.339E-7 9.7019999999E-7 0.000002169 0.000004851 0.00001085 0.00002426 0.00005424 0.0001213 556-88-7 11174 144208084 Nitroguanidine N=C(N)N[N+]([O-])=O Tox21_200886 -NCGC00257735-01 196729342 tox21-ror-cho-viability-p1 set3 -2.4 11.1143830734 -20.64028938 -1.5 -22.14028938 3.1319983358 0.8963253906 0.0003865847 -0.86264683 -0.76591946 0.15240386 -7.58223131 0.79617956 0.68161996 -1.3136314 -3.42054122 -3.31556285 -4.78832626 0.81309857 -6.68957561 -22.20024115 -21.92134446 -19.0112258 1.202E-9 2.688E-9 6.0109999999E-9 1.344E-8 3.005E-8 6.7199999999E-8 1.503E-7 3.36E-7 7.5139999999E-7 0.0000016799999999 0.0000037569999999 0.000008401 0.00001878 0.000042 0.00009392 7646-78-8 24287 144207379 Tetrachlorostannane Cl[Sn](Cl)(Cl)Cl Tox21_200181 -NCGC00256276-01 196711173 tox21-ror-cho-viability-p1 set2 4 -4.08859661 -2.43785306 -3.79897323 -3.02519152 -0.7010686 -1.39660148 -3.02569637 -0.18875865 -3.13942217 -3.0334573 2.10963118 -2.39168348 -2.05471358 -3.64413612 -3.24253204 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-02-0 7170 144212643 A A Ethyl benzoylacetate O=C(CC(=O)OCC)c1ccccc1 Tox21_302326 -NCGC00258543-01 196715707 tox21-ror-cho-viability-p1 set2 4 1.59518827 -4.26393028 -0.78555512 2.58194464 -5.09678097 -3.11580729 0.61314515 -3.09551456 0.59869021 0.35039593 -0.37061103 -2.46634108 -0.82407415 -3.77631303 0.27572656 1.164E-9 2.6039999999E-9 5.822E-9 1.302E-8 2.911E-8 6.509E-8 1.456E-7 3.255E-7 7.2779999999E-7 0.0000016269999999 0.000003639 0.000008137 0.00001819 0.00004068 0.000090969999999 1679-64-7 15513 144208188 FNS 1,4-Benzenedicarboxylic acid, monomethyl ester COC(=O)c1ccc(cc1)C(=O)O Tox21_200990 -NCGC00257989-01 196715714 tox21-ror-cho-viability-p1 set2 4 -0.51451109 2.69909662 0.42353685 0.37417574 0.86556665 6.17996468 0.73838829 -6.31728361 -8.65937588 0.50764404 -0.34443179 2.21187207 1.27662361 1.44363385 2.13186262 1.149E-9 2.569E-9 5.7449999999E-9 1.285E-8 2.872E-8 6.4229999999E-8 1.436E-7 3.212E-7 7.181E-7 0.000001606 0.000003591 0.0000080289999999 0.00001795 0.00004014 0.00008976 107-39-1 7868 144207633 FNS 2,4,4-Trimethyl-1-pentene C=C(C)CC(C)(C)C Tox21_200435 -NCGC00258353-01 196715720 tox21-ror-cho-viability-p1 set2 -3 67.8230651971 -44.4694712902 -1.5 -45.9694712902 4.5044702849 0.9899245747 9E-10 -0.81917738 -1.8519152 -1.6795671 -1.70808775 -0.06771034 -2.57635581 -2.89934118 -2.80379145 -0.6957173 -1.94259318 -0.59790581 0.07189478 -1.73050334 -6.03648989 -36.88053277 1.1689999999E-9 2.6129999999E-9 5.844E-9 1.3069999999E-8 2.922E-8 6.5339999999E-8 1.461E-7 3.267E-7 7.305E-7 0.0000016329999999 0.000003652 0.000008167 0.00001826 0.000040829999999 0.000091309999999 471-53-4 10114 144207997 A A Glycyrrhetinic acid O=C(O)[C@@]4(C)CC[C@]5(C)CC[C@]3(C)C(=CC(=O)[C@H]2[C@@]3(C)CC[C@@H]1[C@]2(C)CC[C@H](O)C1(C)C)[C@@H]5C4 Tox21_200799 -NCGC00255736-01 196711159 tox21-ror-cho-viability-p1 set2 -2.2 30.6378586933 -32.158576288 -2 -34.158576288 3.2474983358 0.9581072155 0.0000031765 -7.46122974 0 -3.59960307 -1.45876335 -2.36066443 -0.23356205 -0.40856235 1.20397165 -1.53330533 -2.73194047 -2.89587541 -0.71934432 -7.98909299 -25.1177377 -35.5818503 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23847-08-7 90282 144212306 A A 1,1'-Disulfanediyldiazepan-2-one O=C2CCCCCN2SSN1CCCCCC1=O Tox21_301989 -NCGC00256214-01 196711160 tox21-ror-cho-viability-p1 set2 4 2.97414495 4.04935534 2.12830648 5.20440887 3.2532342 5.36403534 -0.33622272 0.38611343 -0.63665822 3.16944828 1.20584272 1.37945448 2.79465559 0.23174148 0.2816429 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6281-42-1 80480 144212275 Cc 1-(2-Aminoethyl)imidazolidin-2-one O=C1NCCN1CCN Tox21_301958 -NCGC00255193-01 196711167 tox21-ror-cho-viability-p1 set2 4 -13.2724331 -1.39914431 -7.44877832 -10.93715213 -9.81151492 -10.61146358 -12.2407967 -14.95988165 -10.19580728 -1.97299629 -9.10726531 -10.62832459 -10.45098218 -14.49357667 -12.67811791 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-27-1 5756 144211921 A A Estriol Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)[C@H](O)C[C@@H]12)c4cc3 Tox21_301604 -NCGC00260103-01 196711567 tox21-ror-cho-viability-p1 set2 2.4 68.5198756601 26.5625587641 1.4374412359 28 2.8472712143 0.8995524083 0.0003328821 -1.06042143 1.65580619 2.10892954 1.48293065 0.01930513 3.62853875 1.12984743 -0.89275996 1.42463193 3.60551493 -1.71879897 1.98871319 4.09297054 6.12614487 20.15490408 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 25167-70-8 7868 144209752 F 2,4,4-Trimethylpentene C=C(C)CC(C)(C)C Tox21_202554 -NCGC00356964-01 196711566 tox21-ror-cho-viability-p1 set2 4 -7.44088152 -30.69589502 -5.03805939 -9.85194963 -7.6158033 -6.62692252 -34.60975126 0 0 -16.79308238 -6.65019547 -6.49719013 -2.84318997 -1.17793289 1.27277183 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 506-68-3 10476 251919646 Cyanogen bromide BrC#N Tox21_303779 -NCGC00260516-01 196711574 tox21-ror-cho-viability-p1 set2 4 78.4482066081 -27.4427156999 3.5 -23.9427156999 4.9549173134 0.9258983269 0.0000701146 3.55015755 2.86784954 1.2757727 4.19982781 0.05950759 4.53645996 2.27105117 5.92457577 4.36120088 4.02008623 2.50878067 3.65293559 3.26917767 3.17860843 -16.61892975 1.1989999999E-9 2.6819999999E-9 5.9959999999E-9 1.3409999999E-8 2.998E-8 6.704E-8 1.4989999999E-7 3.352E-7 7.495E-7 0.000001676 0.000003748 0.00000838 0.000018739999999 0.000041899999999 0.000093689999999 5470-11-1 443297 144210168 Hydroxylamine hydrochloride Cl.NO Tox21_202970 -NCGC00094521-05 196711578 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -23.42555058 -2 -25.42555058 1.0999999999 0.6755918878 0.0501263398 -0.04715651 -2.84911487 -2.47309427 -0.53171025 -2.28824385 -3.40127846 -3.43022945 0.05935937 -3.69462119 -0.33772264 -4.82085616 -9.90110619 0 -8.22754101 -19.52129215 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00244579-01 196711584 tox21-ror-cho-viability-p1 set2 -2.2 54.4826732819 -47.4797352956 0.9891090089 -46.4906262867 3.9899729863 0.9894736445 1.1E-9 -0.86098673 1.17568022 -0.44000937 0.93623221 -0.21021531 1.2779561 0.36504316 2.14241705 3.82813242 1.42995164 1.59619996 1.94263601 0.32628456 -10.45430879 -41.28077749 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00255152-01 196711008 tox21-ror-cho-viability-p1 set2 -2.4 61.130564862 -23.518502912 -2 -25.518502912 3.0654483358 0.7972479717 0.0084738068 -3.74682858 -3.94891934 -4.29443995 2.47371272 -5.12277548 -4.6860724 1.75098339 -1.10100594 2.3519803 -2.09079953 -2.44792635 -2.93940213 -1.42232281 -7.6547386 -20.43208576 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84371-65-3 55245 144212158 A A Mifepristone CN(C)c1ccc(cc1)[C@H]5C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]4CCC3=CC(=O)CCC3=C45 Tox21_301841 -NCGC00357179-01 196712241 tox21-ror-cho-viability-p1 set2 4 2.7306020303 19.008509272 -2.008509272 17 0.2 0.7227979525 0.029022147 0.26303501 2.45743995 0.36342739 -0.00709106 3.92100733 5.72795539 6.20087078 6.5980739 8.5318244 6.45282771 5.83457578 6.01361555 5.9692708 12.82206192 14.08614039 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 591-22-0 11565 251919912 A 3,5-Dimethylpyridine Cc1cncc(C)c1 Tox21_303943 -NCGC00260070-01 196711432 tox21-ror-cho-viability-p1 set2 -1.1 3.8570778872 -99.1137229236 1.5764942097 -97.5372287139 1.21 0.9600532047 0.0000024296 4.12939792 3.41347029 2.22072039 2.2954261 -2.04619664 -0.663697 -3.96658229 -3.45029941 -14.938538 -18.76290231 -38.62495238 -88.69351293 -67.31713879 -93.13536616 -100.97021606 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 2437-29-8 2724411 144209719 D Malachite green oxalate C/[N+](C)=C1\C=C/C(C=C1)=C(/c2ccccc2)c3ccc(cc3)N(C)C.[O-]C(=O)C(=O)O.[O-]C(=O)C(=O)O.O=C(O)C(=O)O.CN(C)c1ccc(cc1)C(\c2ccccc2)=C3/C=C/C(C=C3)=[N+](/C)C Tox21_202521 -NCGC00163724-03 196711007 tox21-ror-cho-viability-p1 set2 4 54.4826732819 -17.061162588 0 -17.061162588 2.1876167061 0.660549422 0.0585121767 -5.52851673 1.70429088 -1.62121183 -0.70699549 -0.60926905 -0.60169127 -2.26755522 -0.65721508 0.27606094 0.74115775 6.2508349 1.18868388 -2.92959925 -5.73923465 -12.96763549 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00256026-01 196711013 tox21-ror-cho-viability-p1 set2 4 -1.59739669 -0.74580021 -2.49747608 -1.58594311 0.24141359 1.36194604 -1.94740969 -1.96200666 0.92809781 -2.38656678 -0.26163207 -0.83633041 -0.48380161 -0.86737764 -4.61013089 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3913-02-8 19800 144211591 A A 2-Butyloctan-1-ol CCCCCCC(CO)CCCC Tox21_301274 -NCGC00091088-05 196711435 tox21-ror-cho-viability-p1 set2 2.4 61.130564862 19.536471436 1.463528564 21 2.7202212143 0.8414501884 0.0029354736 -0.47066528 -0.58720496 0.33033682 0.82092936 -0.10916701 -1.69705953 4.6661067 2.61953979 1.52685715 1.48646056 4.5521165 1.80398786 2.10813914 6.73314133 16.40657492 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00260636-01 196711829 tox21-ror-cho-viability-p1 set2 -1.4 0.0530803864 -18.1292302859 1.5 -16.6292302859 0.9999999999 0.4424870339 0.2477621037 0.2802687 1.46677891 0.27085596 0.63263603 -0.12473179 -6.61671136 -10.8815859 -12.4691677 -13.30958667 -8.32188656 -12.42202435 -35.21538381 -27.00036095 2.93746602 5.56467811 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49532 144210289 M M NTP Mix112 ER1 10-EQC Tox21_203091 -NCGC00260442-01 196711831 tox21-ror-cho-viability-p1 set2 -2.4 43.3211400593 -53.626664488 -4.6608264839 -58.2874909719 0.7 0.5602778719 0.1267601548 -0.27103434 -4.94731719 -5.54026567 -6.25020413 -4.49277382 -8.52470167 -4.50822926 -13.38764389 -7.72533739 -8.9571905 -13.46085474 -0.27688804 -29.49961883 -53.6268871 -22.21525067 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.00009229 39511-08-5 1549521 144210094 A F (E)-3-(2-Furyl)acrolein O=C\C=C\c1ccco1 Tox21_202896 -NCGC00260233-01 196711832 tox21-ror-cho-viability-p1 set2 -3 68.241009061 -93.9735251658 3.986319818 -89.9872053478 4.9549173134 0.9798108786 5.01E-8 1.0962531 0.13720223 -0.52046191 2.5306672 1.42716645 3.02462431 4.85394886 6.76402283 7.26788511 6.58172058 5.64724952 5.1806216 4.73026973 2.28101188 -73.00571853 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.468E-7 3.2829999999E-7 7.3419999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.00001835 0.00004104 0.00009177 112400-86-9 11074101 144209883 FNS 1-Butyl-4-methylpyridinium chloride [Cl-].Cc1cc[n+](CCCC)cc1 Tox21_202685 -NCGC00260276-01 196711834 tox21-ror-cho-viability-p1 set2 4 -5.49247498 -7.56846862 -8.87273698 -5.55703136 -7.16685394 -5.13000015 -3.59873498 -14.2442496 -14.20089652 0 -10.61213545 -10.18764533 -20.76417794 -13.99378188 -8.73813876 2.8939999999E-10 6.471E-10 1.4469999999E-9 3.2349999999E-9 7.235E-9 1.618E-8 3.617E-8 8.089E-8 1.8089999999E-7 4.0439999999E-7 9.043E-7 0.000002022 0.000004522 0.00001011 0.00002261 821-06-7 641245 144209926 Ac (E)-1,4-Dibromo-2-butene BrC\C=C\CBr Tox21_202728 -NCGC00356945-01 196711837 tox21-ror-cho-viability-p1 set2 4 0.1933118196 -10.970966416 -2.123038544 -13.09400496 4.9549173134 0.5192554163 0.4289999776 -0.28643718 -0.41709801 -5.04517274 -3.7319585 -0.10253212 -3.3246648 -3.27835259 -18.39220792 -12.80620273 -10.74748171 -11.36897211 -24.6616708 -58.92769812 -0.35652658 -12.83650187 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-91-3 110862 251919656 A 2,6-Dimethyl morpholine CC1CNCC(C)O1 Tox21_303829 -NCGC00258637-01 196729741 tox21-ror-cho-viability-p1 set3 4 2.70171657 0.91967786 -1.26339653 0.72448576 2.94081764 2.12105876 1.17490086 1.18241979 -0.1859597 0.10662855 1.60209416 2.41673558 -2.57089803 -1.24269902 -1.05799918 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.314E-8 2.9369999999E-8 6.568E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.000003672 0.00000821 0.000018359999999 0.000041049999999 0.00009179 645-00-1 12574 144208283 A A 1-Iodo-3-nitrobenzene Ic1cccc(c1)[N+](=O)[O-] Tox21_201085 -NCGC00258074-01 196729316 tox21-ror-cho-viability-p1 set3 4 -0.1988733 1.28603669 0.71726433 0.12318548 2.44650772 2.17775443 0.44251048 0.53791846 0.8660402 4.58269762 1.26988394 0.44411145 0.01601119 -0.54180226 3.78966108 1.221E-9 2.7299999999E-9 6.104E-9 1.365E-8 3.052E-8 6.824E-8 1.526E-7 3.412E-7 7.629E-7 0.0000017059999999 0.000003815 0.00000853 0.00001907 0.00004265 0.00009537 13755-29-8 4343483 144207718 Sodium tetrafluoroborate [Na+].F[B-](F)(F)F Tox21_200520 -NCGC00258536-01 196729323 tox21-ror-cho-viability-p1 set3 4 0.8415857652 -15.1870395599 1.5 -13.6870395599 3.9294729863 0.6629303953 0.0675511862 0.12688685 0.89549387 2.86847295 0.64994191 -0.0688532 4.91141446 0.93067372 0.94611293 -1.3380883 -19.20965095 -18.4212919 -20.1558663 -10.55905385 0.50681571 -4.52208859 1.155E-9 2.583E-9 5.775E-9 1.291E-8 2.8879999999E-8 6.457E-8 1.444E-7 3.229E-7 7.2189999999E-7 0.000001614 0.0000036099999999 0.000008071 0.000018049999999 0.00004036 0.000090239999999 110-46-3 8053 144208181 D 3-Methylbutyl nitrite CC(C)CCON=O Tox21_200983 -NCGC00257654-01 196729734 tox21-ror-cho-viability-p1 set3 -3 68.729149849 -39.2296741679 -0.5 -39.7296741679 4.9549173134 0.9600518687 0.0000024432 -0.25552993 -1.79467615 -2.88329616 1.15707537 -1.76250699 -2.4909807 0.08746895 -0.39458056 -0.49637363 -0.68102182 -0.99991549 -0.59050992 1.71002456 0.79708194 -32.69139514 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.303E-7 7.387E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 2257-09-2 16741 144207298 C Phenethyl isothiocyanate S=C=N\CCc1ccccc1 Tox21_200100 -NCGC00258485-01 196730139 tox21-ror-cho-viability-p1 set3 4 77.7421153793 -36.925915308 -2.5 -39.425915308 1.331 0.3615061533 0.3082397527 0.1823051 -26.56461172 0.46509921 3.72352131 0.39037969 4.63107685 0.51872574 0.63206279 0.4276697 -1.30724034 -4.50945108 -9.59102627 -13.10970383 -1.57853392 -29.52159609 1.19E-9 2.6619999999E-9 5.951E-9 1.331E-8 2.976E-8 6.654E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.00000372 0.000008317 0.0000186 0.00004159 0.000092989999999 591-35-5 11571 144208129 A A 3,5-Dichlorophenol Oc1cc(Cl)cc(Cl)c1 Tox21_200931 -NCGC00258263-01 196730150 tox21-ror-cho-viability-p1 set3 4 1.877066 2.33507272 0.92232761 1.63763242 1.81567156 0.34182962 1.47817577 1.41993781 3.04445253 2.68107003 -0.93817977 0.5968107 2.10154784 3.62573861 -4.12427496 1.193E-9 2.667E-9 5.963E-9 1.333E-8 2.982E-8 6.6669999999E-8 1.491E-7 3.3339999999E-7 7.4539999999E-7 0.0000016669999999 0.0000037269999999 0.0000083339999999 0.00001864 0.00004167 0.00009318 96-13-9 7281 144207907 A A 2,3-Dibromopropanol BrC(CBr)CO Tox21_200709 -NCGC00258045-01 196730156 tox21-ror-cho-viability-p1 set3 4 61.3171122755 -20.743935408 0 -20.743935408 4.9549173134 0.7945831212 0.0089505097 1.94159374 0.36713469 2.25971349 -0.45334811 0.84570914 -0.32952105 -7.88871312 0.90624907 -1.23238952 -1.10327009 2.32289175 0.80937318 0.29458846 -2.41435429 -18.53661284 1.183E-9 2.645E-9 5.913E-9 1.322E-8 2.9569999999E-8 6.611E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.0000082639999999 0.00001848 0.00004132 0.0000924 474-25-9 10133 144207689 A A Chenodeoxycholic acid O=C(O)CC[C@@H](C)[C@H]4CC[C@@H]1[C@]4(C)CC[C@@H]2[C@@]3(C)CC[C@@H](O)C[C@H]3C[C@@H](O)[C@@H]12 Tox21_200491 -NCGC00257715-01 196730160 tox21-ror-cho-viability-p1 set3 4 1.18748352 0.35529362 -2.3288879 1.69586213 0.11625642 0.0127271 -1.0746495 0.05927818 3.29854607 3.4098913 2.27938566 2.65847557 -0.07630887 -4.26988996 -1.87529856 1.1989999999E-9 2.6809999999E-9 5.995E-9 1.3409999999E-8 2.998E-8 6.703E-8 1.4989999999E-7 3.352E-7 7.494E-7 0.000001676 0.000003747 0.0000083789999999 0.000018739999999 0.00004189 0.00009368 97-88-1 7354 144207359 AC B Butyl methacrylate CC(=C)C(=O)OCCCC Tox21_200161 -NCGC00257743-01 196730553 tox21-ror-cho-viability-p1 set3 4 -4.20870603 -1.00101978 -0.11282925 -0.92786065 1.14284232 -0.36614699 -0.33143614 1.21292428 0.2651232 1.35667729 -0.04650892 -0.69540179 1.32007462 1.6861778 3.8278481 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 75-25-2 5558 144207387 AC A Bromoform BrC(Br)Br Tox21_200189 -NCGC00160649-02 196725585 tox21-ror-cho-viability-p1 set3 4 -0.9197308 -14.89698058 -1.8956113 -6.77997328 -6.07440977 3.12323242 -5.7881254 0.04689432 0.14567699 -1.28524127 2.59951663 -4.9076281 1.10228769 -5.52496815 -5.57455464 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 664-95-9 12628 170466322 A Glycyclamide O=C(NC1CCCCC1)NS(=O)(=O)c2ccc(C)cc2 Tox21_111956_1 -NCGC00182965-05 196725181 tox21-ror-cho-viability-p1 set3 4 0.98594268 0.60759565 -0.64875127 4.79997342 3.95954383 -3.65103303 -3.62124577 1.73335972 4.15759153 4.90828323 1.34338498 3.49156804 1.29814197 7.05611614 6.25542224 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1235-82-1 92151 170465324 A Biperiden Cl.OC(CCN1CCCCC1)(c2ccccc2)C4CC3C=CC4C3 Tox21_112785_1 -NCGC00257652-01 196716135 tox21-ror-cho-viability-p1 set2 4 -0.23810586 0.29926222 0.07368536 0.96360333 3.01790217 -3.31128199 -0.27178514 2.49264771 -1.40776047 2.69355053 -5.25567952 -2.94883273 -0.44456134 3.22129648 2.942722 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 5089-70-3 78771 144207296 FNS (3-Chloropropyl)(triethoxy)silane CCO[Si](OCC)(OCC)CCCCl Tox21_200098 -NCGC00257909-01 196716127 tox21-ror-cho-viability-p1 set2 4 -4.95682259 0.48231661 -0.68612555 2.27848817 -3.30726917 -1.83773484 -5.33312293 2.63376071 -0.46827656 -5.31316064 1.81885836 -4.80610228 -3.46287964 -5.17319433 -3.76263066 1.195E-9 2.671E-9 5.973E-9 1.336E-8 2.986E-8 6.678E-8 1.493E-7 3.3389999999E-7 7.466E-7 0.000001669 0.000003733 0.000008347 0.00001866 0.00004174 0.00009332 74-96-4 6332 144207553 FNS Bromoethane BrCC Tox21_200355 -NCGC00258650-01 196716134 tox21-ror-cho-viability-p1 set2 4 62.9378004325 -18.895027308 1 -17.895027308 2.3031167061 0.8803701743 0.0007921755 1.52584424 4.33625271 -0.05748924 0.28045804 0.17242375 2.71216694 -0.48483669 -0.371652 1.57581866 0.21347831 -0.85231204 0.72139719 -1.14422428 -4.12740542 -13.24585609 1.2089999999E-9 2.7039999999E-9 6.047E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.0000189 0.00004225 0.00009448 478-43-3 10168 144208296 A A Rhein O=C(O)c3cc2C(=O)c1cccc(O)c1C(=O)c2c(O)c3 Tox21_201098 -NCGC00257904-01 196716140 tox21-ror-cho-viability-p1 set2 4 -3.78936851 -0.74456927 -4.63385764 -0.22328773 2.18099985 -3.85862621 -0.81941477 -1.67263347 1.41786066 0.29967715 -0.1092099 -0.38332078 0.09397659 -4.46117707 -2.36297244 1.196E-9 2.6749999999E-9 5.982E-9 1.338E-8 2.9909999999E-8 6.6879999999E-8 1.496E-7 3.344E-7 7.478E-7 0.0000016719999999 0.0000037389999999 0.00000836 0.00001869 0.000041799999999 0.00009347 645-49-8 5356785 144207548 A A cis-Stilbene C(=C\c1ccccc1)\c2ccccc2 Tox21_200350 -NCGC00257736-01 196716537 tox21-ror-cho-viability-p1 set2 4 2.02690724 0.43789585 2.09697888 -0.35553266 1.04135906 1.36827952 0.05374953 1.8170577 2.74530586 -0.31592468 2.0607946 2.50083555 2.30719313 0.59120677 -0.15503121 1.167E-9 2.6109999999E-9 5.837E-9 1.305E-8 2.919E-8 6.5259999999E-8 1.459E-7 3.2629999999E-7 7.297E-7 0.0000016319999999 0.000003648 0.0000081579999999 0.000018239999999 0.000040789999999 0.000091209999999 56296-78-7 62857 144207380 A A Fluoxetine hydrochloride Cl.FC(F)(F)c2ccc(OC(CCNC)c1ccccc1)cc2 Tox21_200182 -NCGC00257865-01 196716544 tox21-ror-cho-viability-p1 set2 4 -7.03232149 0.33722381 -3.64619861 -5.23752433 -2.62985176 1.60060909 2.58546513 -4.9367206 3.49636861 -6.29152501 -5.75033487 -1.03703306 -6.45667954 -3.79032784 -6.30318224 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.4829999999E-7 3.317E-7 7.417E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.00004146 0.000092709999999 3179-47-3 18510 144207509 B B Decyl methacrylate C=C(C)C(=O)OCCCCCCCCCC Tox21_200311 -NCGC00015529-15 196716958 tox21-ror-cho-viability-p1 set2 4 4.23454947 -0.21968068 -0.47557869 0.9015181 -1.05396776 4.84158163 -0.97841315 3.80083491 2.9541042 2.23088498 4.97942319 6.03429992 2.21585433 -1.09269354 -1.33855779 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15687-27-1 3672 170464979 Ac Ibuprofen lysine CC(C(=O)O)c1ccc(CC(C)C)cc1 Tox21_110170_1 -NCGC00263909-02 196716970 tox21-ror-cho-viability-p1 set2 4 0.47863964 -1.81457673 -0.9326474 -2.32957856 -2.36817517 1.2326919 -0.82010106 2.22107914 -1.48946574 -2.83264537 -2.0789951 -2.57427942 -2.35172596 -6.31997334 -2.90196807 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 171596-29-5 110635 170464819 A Tadalafil O=C6N(C)CC(=O)N4[C@@H]6Cc1c5ccccc5nc1[C@H]4c2ccc3OCOc3c2 Tox21_112642_1 -NCGC00095264-04 196717366 tox21-ror-cho-viability-p1 set2 4 -1.76713116 -5.93063776 0.63172963 -0.3367449 2.84255356 0.51464325 2.94583447 1.13700974 -5.37993533 0.78958039 0.97314941 -2.03896892 -1.80688324 -2.27897255 0.56080966 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 773-76-2 2722 170465084 A Chloroxine Oc1c(Cl)cc(Cl)c2cccnc12 Tox21_111494_1 -NCGC00253765-01 196717374 tox21-ror-cho-viability-p1 set2 4 4.7307944147 12.1218734519 -3.6218734519 8.5 0.5999999999 0.6168257205 0.085825474 0.13150992 -0.06857564 -6.35156121 -5.09361882 -5.47313027 -1.62904745 -5.09102188 -4.8635878 1.01689276 0.58276863 3.44206406 1.19910407 3.61693785 0.86079119 9.18571062 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 92-54-6 7096 170466741 A Ac Phenylpiperazine c1cc(ccc1)N2CCNCC2 Tox21_113878 -NCGC00259844-01 196712424 tox21-ror-cho-viability-p1 set2 4 -3.32537246 -1.81062755 -4.84055855 -15.76425608 -3.71977343 -1.08166484 -26.21897631 -9.33012794 0 -5.77529219 -5.97472075 -5.60521141 -3.11334855 -6.53560796 -1.46863271 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.00001844 0.000041219999999 0.00009218 10605-21-7 25429 144209493 A A Carbendazim O=C(OC)Nc1nc2ccccc2n1 Tox21_202295 -NCGC00260452-01 196712005 tox21-ror-cho-viability-p1 set2 -2.2 2.1800277432 -52.7672565025 -1.722917447 -54.4901739495 4.9549173134 0.965466228 0.0000781413 1.36060083 -0.33473002 1.28420421 -0.06291307 0.65679353 -4.60164983 -4.78005258 -5.45597678 -6.13621967 -12.19609268 -50.86857364 -18.03881553 -4.6740406 -24.52566809 1.33908458 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6239999999E-8 1.481E-7 3.312E-7 7.405E-7 0.000001656 0.0000037029999999 0.000008279 0.00001851 0.0000414 0.000092569999999 2510-55-6 17279 144210104 A A 9-Cyanophenanthrene N#Cc2cc3ccccc3c1ccccc12 Tox21_202906 -NCGC00260284-01 196712006 tox21-ror-cho-viability-p1 set2 4 0.6133051822 15.8875626881 0.1124373119 16 0.5 0.6883185797 0.0438229775 2.83828801 -0.5678979 0.15023323 -0.42816141 -0.06620145 -1.15630224 1.5206132 5.52863511 4.18266952 1.57673955 4.94382088 13.00770122 3.54332737 9.87950442 12.9866574 5.492E-11 1.228E-10 2.746E-10 6.1399999999E-10 1.373E-9 3.0699999999E-9 6.8649999999E-9 1.535E-8 3.432E-8 7.675E-8 1.716E-7 3.837E-7 8.581E-7 0.0000019189999999 0.00000429 60-00-4 6049 144209934 Fns Ethylenediaminetetraacetic acid O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O Tox21_202736 -NCGC00015156-15 196713479 tox21-ror-cho-viability-p1 set2 4 -3.8998886 -0.74934944 -2.01158383 -3.99930145 -3.08798351 0.74618158 -4.84347143 -0.94793966 2.66096172 0.55774207 -9.23751186 -4.43946908 -4.73123005 -6.35796891 -3.93078323 5.899E-12 1.319E-11 2.949E-11 6.595E-11 1.475E-10 3.2969999999E-10 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 1134-47-0 2284 170465099 A Baclofen Clc1ccc(cc1)C(CN)CC(=O)O Tox21_110090_1 -NCGC00090962-05 196713059 tox21-ror-cho-viability-p1 set2 4 -2.31018602 -3.9352118 -5.09937284 -5.09052574 -0.36096487 -0.30627982 -0.74598212 -0.03966907 1.02076906 -0.67406519 -1.00392518 -4.43234919 -5.62604574 1.95427172 -2.07780739 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00092361-06 196713067 tox21-ror-cho-viability-p1 set2 4 1.88191603 2.21957082 -0.20039119 -0.80847492 2.75936805 -1.30480685 0.16323067 -0.35896727 2.26927696 -0.01177616 2.38923266 0.87807413 0.25297332 1.51293829 1.06004538 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 363-24-6 5280360 170465000 A Prostaglandin E2 O[C@@H]1CC(=O)[C@H](C/C=C\CCCC(=O)O)[C@H]1/C=C/[C@@H](O)CCCCC Tox21_111196_1 -NCGC00091208-09 196713465 tox21-ror-cho-viability-p1 set2 4 -4.64729383 -5.51317795 -1.55891267 -6.57726248 -5.86710488 -7.30796191 0.45995786 -4.31626484 -3.81815393 -1.12733279 -7.6311453 -0.12398827 0.52487799 -5.40264503 -13.703221 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 136-77-6 3610 170465471 Ac 4-Hexylresorcinol Oc1cc(O)ccc1CCCCCC Tox21_111102_1 -NCGC00253603-01 196713482 tox21-ror-cho-viability-p1 set2 4 -3.5160824 -1.00400538 -3.9805107 -4.30182626 -0.61552657 0.35204959 -0.12093915 -5.26797441 -4.521573 0.2250486 -0.38434478 0.03648731 -0.03597898 -3.89522041 -3.58907154 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3704-09-4 251636 170466095 A Mibolerone C[C@@H]3CC1=CC(=O)CC[C@@H]1[C@H]4CC[C@@]2(C)[C@@H](CC[C@]2(C)O)[C@H]34 Tox21_113738 -NCGC00183857-01 196713483 tox21-ror-cho-viability-p1 set2 2.1 1.6785492004 73.7416719899 -0.3791765199 73.36249547 4.0449729863 0.9754354087 1.551E-7 3.47059161 -6.9826471 2.55346545 1.90041163 -0.19627844 1.34524878 3.55589636 1.95359404 -0.90394378 -6.48636727 -5.4933322 -2.78732223 6.78928667 52.62005162 70.9583283 5.899E-11 1.319E-10 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 108319-06-8 60021 144206857 A A Temafloxacin Fc1ccc(c(F)c1)N2C=C(C(=O)O)C(=O)c3cc(F)c(cc23)N4CC(C)NCC4 Tox21_113306 -NCGC00160444-02 196713484 tox21-ror-cho-viability-p1 set2 4 1.29347841 -5.41991822 -5.04495269 -2.39078721 1.96793282 -1.65387705 -5.10591859 2.76972866 0.67154953 3.01536751 -5.36781339 -1.52613854 2.90836428 0.56041516 0.61065858 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 671-95-4 69594 170466058 A Clofenamide O=S(N)(=O)c1cc(ccc1Cl)S(N)(=O)=O Tox21_111814_1 -NCGC00160646-02 196713485 tox21-ror-cho-viability-p1 set2 4 0.73693601 -0.50662163 -0.36945088 -0.930816 0.99805869 0.69323508 -0.47475338 -4.15503855 -1.50946309 0.96689388 -5.61497669 0.21909148 -0.1569049 0.01650571 4.26514817 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 24886-52-0 159977 170466412 A Pipofezine CN1CCN(CC1)c2cc3N(C)c4ccccc4Oc3nn2 Tox21_111953_1 -NCGC00254930-01 196713893 tox21-ror-cho-viability-p1 set2 4 -4.03554433 -0.10089991 -2.85804536 -0.69765708 -1.88086172 -0.72044495 -1.99647103 2.95514761 0.77480679 -0.25978528 -0.88867772 -0.18089085 -0.83996721 0.18967478 -0.00675898 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 138261-41-3 86418 144211345 A A Imidacloprid [O-][N+](=O)/N=C2\NCCN2Cc1cnc(Cl)cc1 Tox21_301028 -NCGC00015321-11 196712680 tox21-ror-cho-viability-p1 set2 4 0.65962525 1.76747762 0.23436507 1.72261682 -0.66403832 -0.50566677 1.16633422 0.96689495 1.9409322 -0.92847439 -0.34529262 1.6770858 -0.02599356 3.88732509 0.95093458 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 34368-04-2 36811 170465050 A Dobutamine Oc2ccc(CCNC(C)CCc1ccc(O)cc1)cc2O Tox21_110126_1 -NCGC00357218-01 196712266 tox21-ror-cho-viability-p1 set2 4 0.44319917 0.40246684 1.30480033 1.2295959 0.20769868 5.26312097 -1.01780249 2.77720241 2.51545941 2.33992497 0.12322033 0.25499422 2.3784691 3.52312955 -4.04333718 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1571-75-1 623849 251919835 A 4,4'-(1-Phenylethylidene)bisphenol CC(c1ccc(O)cc1)(c2ccccc2)c3ccc(O)cc3 Tox21_303999 -NCGC00319023-02 196712670 tox21-ror-cho-viability-p1 set2 4 0.40853783 -2.05443985 -2.77676414 -2.45242303 -0.11459913 -2.71921907 0.16816353 0.59803837 -2.3044248 -2.28436942 2.33883097 0.38444471 1.99566437 1.49823359 1.69598132 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_57603 80274 170466633 A F R-Lotrafiban O=C(c1ccc2N[C@@H](CC(=O)O)C(=O)N(C)Cc2c1)N3CCC(CC3)C4CCNCC4 Tox21_113990 -NCGC00256498-01 196726434 tox21-ror-cho-viability-p1 set3 4 1.17432926 -0.91206968 -0.55958044 0.66832405 2.17219595 0.00023459 -0.4384228 0.17960968 2.6923053 0.02870897 0.03017098 0.9022142 -1.43246048 2.12641498 -0.80202479 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 62-75-9 6124 144213190 AC Ac N-Nitrosodimethylamine CN(C)N=O Tox21_302873 -NCGC00091205-03 196726422 tox21-ror-cho-viability-p1 set3 4 -5.98782952 -3.7968571 0 -2.16790063 0 2.21986337 -0.91390998 -0.42111943 -0.27982367 0 -0.85640146 -4.41571137 1.5982326 -2.44392161 1.92637047 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00256413-01 196726427 tox21-ror-cho-viability-p1 set3 4 -0.87494608 -0.3747926 -1.64286012 0.40235728 0.87406436 6.84642756 7.50454757 8.54743698 0.56709522 0.55165506 -11.25711927 -2.37480457 -0.80948543 7.56351893 1.26380481 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.589E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.000008236 0.00001842 0.000041179999999 0.00009208 3778-73-2 3690 144213092 A A Ifosfamide O=P1(NCCCl)OCCCN1CCCl Tox21_302775 -NCGC00256471-01 196726429 tox21-ror-cho-viability-p1 set3 4 -0.5218006 2.26989998 2.96664809 1.80460917 1.91930971 -3.07828631 6.02077452 4.75074899 4.59949257 2.76041752 5.4847697 -0.0962265 2.61623517 3.03644253 0.96230782 4.531E-9 1.013E-8 2.2649999999E-8 5.0659999999E-8 1.1329999999E-7 2.533E-7 5.663E-7 0.000001266 0.0000028319999999 0.000006332 0.00001416 0.00003166 0.00007079 0.0001583 0.000354 1321-74-0 66666 144213109 A D Divinylbenzene C=Cc1ccccc1C=C Tox21_302792 -NCGC00257106-01 196726830 tox21-ror-cho-viability-p1 set3 4 4.04669112 0.3258534 2.62374225 3.9559998 1.1253914 3.51229152 -0.14347508 -1.04448794 1.53312399 -1.97111833 1.52770132 -1.09719269 2.49286335 3.37541881 2.31717262 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 121-03-9 8458 144213468 A A 2-Methyl-5-nitrobenzenesulfonic acid Cc1ccc(cc1S(O)(=O)=O)[N+]([O-])=O Tox21_303151 -NCGC00244579-01 196726832 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -47.0786571293 -1.1207992759 -48.1994564052 4.9549173134 0.9472472504 0.0000112911 -0.25468764 -5.69968773 -1.7436633 -1.86356854 -1.53431213 -1.41768514 0.99720681 1.19340905 -0.89288938 -5.31157323 0.45940152 1.76397974 -4.17149493 -2.47795508 -39.44401302 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00257195-01 196726835 tox21-ror-cho-viability-p1 set3 4 -0.30090554 -2.17042982 0.005383 -0.52966213 -2.2084194 -0.73267538 1.5721291 -2.40755068 -1.19151531 -1.5089063 -2.13784471 -3.04136692 -4.3083452 -0.38280056 -0.2403514 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 118-48-9 8359 144213375 A A 2H-3,1-Benzoxazine-2,4(1H)-dione O=C1OC(=O)Nc2ccccc12 Tox21_303058 -NCGC00091011-05 196718176 tox21-ror-cho-viability-p1 set2 2.1 54.4826732819 100.7721826054 4.0232139689 104.7953965743 2.7202212143 0.9876446766 2.9E-9 3.18676125 1.7813138 2.80396852 1.64084208 2.63794988 0.4316491 2.36312835 7.7915251 5.7722476 4.6432358 8.6016727 8.29856399 7.73528195 36.07184193 85.19950941 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00256549-01 196718183 tox21-ror-cho-viability-p1 set2 4 2.07276593 0.6919071 0.24510377 3.08550814 0.15835255 3.99528877 0.74235693 8.33059084 2.0334775 4.2199715 5.73128178 2.28926417 0.6932042 1.28914231 3.30258854 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1825-21-4 15767 144213152 A Ac Pentachloroanisole Clc1c(OC)c(Cl)c(Cl)c(Cl)c1Cl Tox21_302835 -NCGC00256718-01 196718192 tox21-ror-cho-viability-p1 set2 4 1.6084239164 3.9839413159 -2.9839413159 1 4.9549173134 0.4592094021 0.2185139374 0.9273156 -2.19011395 -3.81990425 0.60685835 -5.07281731 -4.76336354 -4.70957729 -1.92748365 -7.90328443 0.36910975 3.34649414 -0.6399342 1.43090379 1.0522084 0.81228086 1.35E-9 3.0179999999E-9 6.749E-9 1.5089999999E-8 3.375E-8 7.546E-8 1.6869999999E-7 3.773E-7 8.436E-7 0.0000018859999999 0.000004218 0.000009432 0.00002109 0.000047159999999 0.00010549999999 9004-73-3 6327366 144212798 Fns Methylpolysilicone C[Si](C)(C)O[SiH](C)O[Si](C)(C)C Tox21_302481 -NCGC00018221-08 196717790 tox21-ror-cho-viability-p1 set2 4 7.7898932537 -7.216455364 -1.5 -8.716455364 0.8999999999 0.564864161 0.1253664391 -0.77304877 -1.76342135 0.00998126 -5.49945959 1.15932962 -4.72107374 1.20849943 -2.72528343 -0.11010778 -3.49570729 -5.43638528 -3.03182654 -8.93037947 -6.7917596 -7.68707645 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00181300-01 196717383 tox21-ror-cho-viability-p1 set2 4 -8.73123165 -1.14456876 -9.54422121 -2.22410203 -0.27299035 -0.06941845 -1.47889072 -1.20953446 -2.3252695 0.10560555 -0.30443832 2.45951413 0.36591592 -8.11310604 -8.29969448 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 752-56-7 92140 144206329 A A Riboflavin tetrabutyrate CCCC(=O)OC[C@@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@@H](OC(=O)CCC)CN2C3=NC(=O)NC(=O)C3=Nc1cc(C)c(C)cc12 Tox21_112776 -NCGC00161621-03 196717387 tox21-ror-cho-viability-p1 set2 -2.2 26.6032120037 -42.2700212152 -1 -43.2700212152 2.1210667061 0.8900024483 0.0005171879 -0.21829654 -4.53992386 -7.23887086 -1.65954204 3.71474399 -1.06902997 -1.24820463 5.62909919 -4.12851769 -0.00443798 -0.95483227 -1.0701139 -7.25646155 -15.37996787 -33.53789486 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 481-49-2 10206 170465994 B Cepharanthine COc8ccc1cc8Oc7ccc(C[C@H]4c5c(Oc3cc2c(CCN(C)[C@@H]2C1)cc3OC)c6OCOc6cc5CCN4C)cc7 Tox21_111483_1 -NCGC00159387-03 196717789 tox21-ror-cho-viability-p1 set2 4 -2.21675156 -4.835202 -0.23310843 -5.20125968 0.5796668 -0.5473237 -0.58386364 -3.02318372 0.91805999 -1.74681717 -0.90862414 -1.57786123 -2.1922888 0.39462564 -4.91356665 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13081-34-0 61574 170465561 F Laureth 10s OCCOCCSCCCCCCCCCCCC Tox21_111623_1 -NCGC00096056-02 196717800 tox21-ror-cho-viability-p1 set2 4 0.49641738 0.53206942 1.50191182 3.65236259 5.42759181 -0.34499506 0.30158354 2.96606068 0.34011523 1.15017511 -2.11703529 -5.71244365 -1.66331919 3.10911453 8.53725556 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6402-23-9 165457 170465798 A Ethacridine lactate hydrate O.O=C(O)C(C)O.CCOc1ccc2nc3cc(N)ccc3c(N)c2c1 Tox21_111957_1 -NCGC00257095-01 196718208 tox21-ror-cho-viability-p1 set2 4 0.49854969 3.01082813 0.02520235 2.32450933 0.69512083 7.0961547 -0.64789471 0.36750845 2.64826416 0.81284639 -4.23144994 6.97126032 4.24428049 2.94314121 3.38225951 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 2530-83-8 17317 144213605 F F Trimethoxy[3-(oxiran-2-ylmethoxy)propyl]silane CO[Si](CCCOCC1CO1)(OC)OC Tox21_303288 -NCGC00257149-01 196718211 tox21-ror-cho-viability-p1 set2 4 2.36915914 -0.20265545 0.37005557 3.62624998 -1.22429835 3.40161517 1.28991245 3.86658529 1.0002128 -1.3298022 4.84510878 3.37525014 0.90380261 -0.79772405 2.49693319 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1703-58-8 15560 144213553 A Ac 1,2,3,4-Butanetetracarboxylic acid OC(=O)CC(C(CC(=O)O)C(=O)O)C(=O)O Tox21_303236 -NCGC00256492-01 196718217 tox21-ror-cho-viability-p1 set2 -2.2 48.5577336745 -38.36223064 2.5 -35.86223064 3.0654483358 0.9632784167 0.0000015242 3.73736397 3.0115994 0.24262064 3.37214262 3.79179224 1.76871296 0.67637373 6.93332553 0.45798977 1.07031084 1.22225788 0.5084064 1.21594911 -12.16998289 -31.1351922 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5153-25-3 107377 144213110 A A 2-Ethylhexylparaben Oc1ccc(cc1)C(=O)OCC(CC)CCCC Tox21_302793 -NCGC00254491-01 196713895 tox21-ror-cho-viability-p1 set2 4 0.06569538 -5.06884305 1.22064769 -1.46410751 -0.0669046 1.47310468 1.20570132 0.11646667 -0.17363001 0.30792449 0.8384963 4.32112179 4.14686152 4.09693858 -10.82820018 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107534-96-3 86102 144210805 A A Tebuconazole OC(Cn1cncn1)(CCc2ccc(Cl)cc2)C(C)(C)C Tox21_300487 -NCGC00091643-08 196716368 tox21-ror-cho-viability-p1 set2 -2.2 24.3365162115 -40.2508240148 0.9745688829 -39.2762551319 1.3437170999 0.9500407731 0.0000083829 -0.6373607 0.04023317 -1.38165448 2.25278324 -2.27216832 3.88740827 0.399107 2.27494935 -0.15616014 2.01158297 -2.21467076 -5.06742447 -19.51224208 -20.89782021 -36.3669029 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00258549-01 196716373 tox21-ror-cho-viability-p1 set2 4 0.0435853826 4.084383204 -2.084383204 2 3.2974983358 0.3920641468 0.2831120531 2.97262836 -7.15365267 -2.04868598 -1.79811039 -1.05062106 0.95347276 1.8693801 2.67477809 4.4169135 -0.61078181 0.34001729 2.51067639 -0.0362145 4.03670853 3.40741038 1.187E-9 2.6549999999E-9 5.937E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 4316-74-9 23684896 144208194 A A Sodium 2-(methylamino)ethanesulfonate [Na+].[O-]S(=O)(=O)CCNC Tox21_200996 -NCGC00254561-01 196714719 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -22.93389566 0 -22.93389566 4.9549173134 0.7989662452 0.008200364 -0.00933805 0.43723201 -0.84796931 1.33151285 1.79988481 -1.17428071 -2.16169622 -0.11313661 -0.43805912 -2.50476589 -4.43654961 -0.0731351 0.42441079 4.20277485 -17.44491305 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103112-35-2 3033865 144210970 A A Fenchlorazole-ethyl ClC(Cl)(Cl)c2nc(nn2c1ccc(Cl)cc1Cl)C(=O)OCC Tox21_300653 -NCGC00254646-01 196714716 tox21-ror-cho-viability-p1 set2 4 -1.01694477 0.00349649 -0.74518113 -0.71386125 -2.40805296 -3.05092796 -8.93397942 -1.05067557 -0.72072561 -0.31986303 -4.15175389 0.74509659 -13.11506916 -1.65787053 -2.54703915 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.0000036659999999 0.000008198 0.00001833 0.00004099 0.000091659999999 10265-92-6 4096 144211057 A Methamidophos NP(=O)(OC)SC Tox21_300740 -NCGC00254426-01 196714718 tox21-ror-cho-viability-p1 set2 4 -0.12430348 -0.6348702 1.27363907 1.64544128 2.92118888 3.62533632 1.617143 0.13966049 0.25677656 2.85627009 3.61508915 4.71307621 6.79173215 5.75092706 7.35371764 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47265 9869142 144210750 A A CP-471358 O=S(=O)(N(CCC(=O)O)C1(CCCC1)C(=O)NO)c3ccc(Oc2ccc(F)cc2)cc3 Tox21_300432 -NCGC00254032-01 196714727 tox21-ror-cho-viability-p1 set2 4 0.086349218 -6.6435842719 -0.5 -7.1435842719 0.7 0.3899006027 0.283147262 -1.96615548 0.00074419 -0.23622718 -2.1777 -3.04897052 -4.90626641 -4.97131158 -2.07288695 -5.27987968 -6.81136897 -12.58664853 -1.52813557 -13.86965356 -3.65859855 -5.97050592 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 189003-92-7 9869105 144210557 A A Trelanserin NC(=O)CN2c1cc(F)ccc1C(=CC2=O)CCN3CCN(CC3)c5nccc4sccc45 Tox21_300237 -NCGC00254477-01 196714732 tox21-ror-cho-viability-p1 set2 4 1.72850902 -0.68088815 1.73909799 -0.5593051 0.08183925 2.34821338 0.7214024 -0.9348226 0.88849016 0.16941199 -0.06053662 1.35209536 4.76579111 -1.06769565 1.04798215 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 501027-49-2 10134976 144210785 A A PD-0333941 O=C(O)CCn4ccc3c4cccc3OCCc1nc(oc1C)c2ccccc2 Tox21_300467 -NCGC00254966-01 196714738 tox21-ror-cho-viability-p1 set2 -3 68.3804186691 -38.34530996 1 -37.34530996 4.9549173134 0.956655762 0.0000038454 -1.1817412 3.51421121 1.64700919 -1.08178608 2.89322493 0.9826606 -0.36090014 -1.36026339 3.30595565 1.91605784 -1.55307924 1.49187629 2.09140737 -1.82105826 -30.2877583 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 82657-04-3 5281872 144211381 A A Bifenthrin Cl\C(=C/C3C(C(=O)OCc2cccc(c1ccccc1)c2C)C3(C)C)C(F)(F)F Tox21_301064 -NCGC00254540-01 196715148 tox21-ror-cho-viability-p1 set2 -2.4 30.6378586933 -30.6952738279 1 -29.6952738279 2.2481167061 0.9615124691 0.0000019821 -0.70645692 0.36765441 2.12184081 -0.17135532 -0.52516861 3.04184942 2.56077414 2.79248569 -0.37171104 0.18620564 2.60295255 -0.41745557 -8.61349438 -17.54209693 -31.41272819 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 169590-42-5 2662 144210916 A A Celecoxib NS(=O)(=O)c1ccc(cc1)n3nc(cc3c2ccc(C)cc2)C(F)(F)F Tox21_300599 -NCGC00258139-01 196715556 tox21-ror-cho-viability-p1 set2 4 77.8989325373 -12.395762392 0.5 -11.895762392 4.9549173134 0.8637132494 0.0015216777 1.2432501 0.51742115 1.65529878 2.00033981 0.73594774 1.35569494 -0.41209844 -0.25209785 0.3466616 -0.16961078 0.33023796 2.19259552 -0.73433707 0.71361753 -8.24646866 1.1919999999E-9 2.6649999999E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004163 0.000093099999999 108203-70-9 11832800 144207783 A A 1-Butyl-2,3-dimethylimidazolium iodide [I-].CCCCn1cc[n+](C)c1C Tox21_200585 -NCGC00258333-01 196715561 tox21-ror-cho-viability-p1 set2 4 28.2249356922 -8.961922312 2.5 -6.461922312 4.0949729863 0.8290566709 0.0041687783 3.11871674 1.845061 0.84170418 1.5569606 4.03617903 4.37113941 2.14433697 0.18919995 4.94354083 2.21559473 1.84106414 3.10998704 0.40171876 -4.41115537 -6.63493526 1.213E-9 2.713E-9 6.0659999999E-9 1.3559999999E-8 3.033E-8 6.782E-8 1.516E-7 3.391E-7 7.582E-7 0.000001695 0.0000037909999999 0.000008477 0.00001896 0.00004239 0.00009478 105-76-0 5271569 144207977 Z Z Dibutyl maleate O=C(\C=C/C(=O)OCCCC)OCCCC Tox21_200779 -NCGC00256927-01 196727684 tox21-ror-cho-viability-p1 set3 4 2.50537284 -4.81633 -6.4539095 -0.60860526 -4.9373457 -8.5303474 -5.80715961 -10.34657893 -1.17968887 -7.73941819 1.1401913 -8.69813931 -6.73239803 -4.88641186 2.58201477 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 1738-25-6 15615 144213349 Fns 3-Dimethylaminopropionitrile N#CCCN(C)C Tox21_303032 -NCGC00021623-05 196726310 tox21-ror-cho-viability-p1 set3 4 0.06071567 3.50776457 2.88616134 3.79716367 -1.9765226 3.04416009 2.40830939 3.44471365 3.08996844 12.33489845 1.53118544 0.41666348 1.15143136 2.45219741 13.45145781 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 42200-33-9 39147 170464945 A Nadolol CC(C)(C)NCC(O)COc2cccc1C[C@@H](O)[C@@H](O)Cc12 Tox21_110646_1 -NCGC00256841-01 196727687 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -23.219642896 2 -21.219642896 4.9549173134 0.8349630007 0.0034980199 2.1055494 1.98378831 0.50175318 1.43603374 -0.32691217 2.5087389 -2.67760293 3.39784808 3.88206075 3.5493243 4.05333689 4.63327675 1.6543619 3.8479772 -16.01636908 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 116296-31-2 4420067 144212935 A A 3-Thiatetradecanoic acid O=C(O)CSCCCCCCCCCCC Tox21_302618 -NCGC00257288-01 196727683 tox21-ror-cho-viability-p1 set3 4 2.60763014 -0.20694075 -1.77105757 1.34007567 -5.0860872 -0.84012439 -3.93319838 -3.49206382 -10.13114772 -3.17480189 -1.57071356 0.4086317 0.42262154 0.79351881 -4.14450739 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-40-7 31209 144213903 A F Pentylcinnamaldehyde O=CC(CCCCC)=Cc1ccccc1 Tox21_303598 -NCGC00256335-01 196727685 tox21-ror-cho-viability-p1 set3 4 -0.49872875 -2.778222 -5.95021479 1.05800565 -4.8486499 0 -23.7452688 -15.95498447 0 -1.12988684 -14.33422775 -6.17820934 3.09739601 -6.05872861 -4.26556008 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-80-4 7206 144213074 A A 2,4-D 1-butyl ester Clc1cc(Cl)ccc1OCC(=O)OCCCC Tox21_302757 -NCGC00255164-01 196728081 tox21-ror-cho-viability-p1 set3 4 0 3.28875455 4.42299032 3.15995984 1.82044101 5.22495259 -0.77080471 -1.68087502 -1.25406889 4.39225919 -1.93961467 -1.97528253 -4.1778904 -4.18115389 0.4804353 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60-41-3 22833295 144212334 A A Strychnine hemisulphate salt O=S(=O)(O)O.O=C2C[C@@H]6OCC=C5CN3CC[C@@]47c1ccccc1N2[C@H]7[C@H]6[C@H]5C[C@H]34.O=C2C[C@@H]7OCC=C6CN4CC[C@@]53c1ccccc1N2[C@H]3[C@H]7[C@H]6C[C@H]45 Tox21_302017 -NCGC00255838-01 196728092 tox21-ror-cho-viability-p1 set3 4 7.6645874921 -9.904448444 4 -5.904448444 2.6384283767 0.6184779736 0.0844417732 -0.71310358 7.29594069 3.34037829 -0.98105524 8.52542176 4.58469 3.14253891 2.16054695 1.8506776 10.02563075 2.18553986 -1.44535523 -4.11602564 -4.51073449 -7.83704037 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 117976-90-6 14720269 144212634 A D Rabeprazole sodium [Na+].Cc3c(OCCCOC)ccnc3CS(=O)c1[n-]c2ccccc2n1 Tox21_302317 -NCGC00256080-01 196728095 tox21-ror-cho-viability-p1 set3 4 -2.21655462 0.27244987 -2.84874453 2.35764307 -1.9546602 -2.55790637 0.08403327 5.42355564 -2.75756943 5.58681669 6.78615304 1.35298955 -3.73989295 0.57345659 -0.15376819 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4501-58-0 1252759 144211965 Bc D [(1R)-2,2,3-Trimethylcyclopent-3-en-1-yl]acetaldehyde CC1(C)C(C)=CC[C@@H]1CC=O Tox21_301648 -NCGC00255371-01 196728098 tox21-ror-cho-viability-p1 set3 -3 41.6766372577 -55.920697871 -0.476343445 -56.397041316 4.9549173134 0.8080088659 0.0066825598 2.0793237 4.08937163 6.15399483 7.76590002 1.21294984 3.40186001 -0.54463521 -7.21376198 -9.35526945 4.55512801 -11.29929168 0.96209497 -7.5817302 -4.22625385 -46.99753443 7.078E-10 1.583E-9 3.539E-9 7.9139999999E-9 1.77E-8 3.9569999999E-8 8.848E-8 1.9779999999E-7 4.424E-7 9.892E-7 0.000002212 0.000004946 0.00001106 0.00002473 0.000055299999999 16423-68-0 27872 144212402 Cc FD&C Red 3 [Na+].[Na+].[O-]C(=O)c4ccccc4C=2c3cc(I)c([O-])c(I)c3OC=1C=2C=C(I)C(=O)C=1I Tox21_302085 -NCGC00255306-01 196728500 tox21-ror-cho-viability-p1 set3 4 -1.71947209 1.24620547 1.09816256 11.40289962 7.12514844 -1.47996685 8.9103194 13.27957715 5.4235501 11.28971576 1.65370997 3.85360201 3.32291882 0.55927898 4.25174969 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-83-1 8140 144212429 F Ac 1-Bromooctane BrCCCCCCCC Tox21_302112 -NCGC00255427-01 196728514 tox21-ror-cho-viability-p1 set3 4 0 -2.84684211 1.8977576 -1.7509286 -2.74820303 3.67090546 5.563165 -0.95557444 -3.07045062 3.17146786 -3.0946701 -4.42682129 -5.11907174 2.12924735 1.49767454 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63837-33-2 4578030 144211877 A A Diofenolan CCC3OC(COc2ccc(Oc1ccccc1)cc2)CO3 Tox21_301560 -NCGC00255670-01 196728518 tox21-ror-cho-viability-p1 set3 4 -4.0840815 -3.06845485 6.51442268 6.46715311 1.5745955 5.85186553 -3.43311847 -7.37181472 -6.41431605 -7.29924046 -7.37135427 5.9288835 -3.67206798 6.35103724 9.61477236 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74222-97-2 52997 144212160 F A Sulfometuron-methyl O=C(Nc1nc(C)cc(C)n1)NS(=O)(=O)c2ccccc2C(=O)OC Tox21_301843 -NCGC00256713-01 196719459 tox21-ror-cho-viability-p1 set2 4 -0.91043258 -5.24885061 -1.82926944 0.59958347 -7.18123188 -12.16816674 -0.34951792 -1.12936568 -3.49716149 -3.36485762 -1.03820318 -0.05049864 -0.80836423 -2.63673305 -3.99591571 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7335-26-4 81784 144212997 A A Ethyl 2-methoxybenzoate COc1ccccc1C(=O)OCC Tox21_302680 -NCGC00256706-01 196719012 tox21-ror-cho-viability-p1 set2 4 15.3396894052 8.7783563959 -3.7783563959 5 0.9999999999 0.4896364097 0.2077121546 -0.70820569 -3.84838114 0.04932964 -4.43030888 -6.89863033 -6.59190582 -6.5520097 -1.54875123 -1.77151501 -4.00235711 -0.85392168 -1.06860369 0.43128681 3.3019353 -0.31148469 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.593E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 38205-60-6 520888 144212884 A A 5-Acetyl-2,4-dimethylthiazole O=C(C)c1sc(C)nc1C Tox21_302567 -NCGC00257492-01 196719017 tox21-ror-cho-viability-p1 set2 4 0.22927351 -0.18724634 1.84844232 0.10250433 0.30453746 5.70393501 0.83793631 3.83498527 1.80100552 1.42387453 4.54749001 2.91958996 2.26190931 1.1899328 2.51494081 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 15214-89-8 65360 144213830 A A 2-Acrylamido-2-methyl-1-propanesulfonic acid O=C(NC(C)(C)CS(=O)(=O)O)C=C Tox21_303523 -NCGC00256316-01 196719454 tox21-ror-cho-viability-p1 set2 4 34.3762428541 -10.0357768479 3.5 -6.5357768479 1.5385888099 0.469634831 0.2076134068 1.96128999 -0.58025666 0.96183661 3.81530641 1.25561629 5.51056924 2.46697281 5.59232168 5.62218785 4.81780551 9.71648135 -1.17223065 -0.45113242 -0.29198103 -6.27981404 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 71125-38-7 54677470 144213073 A A Meloxicam Cc3cnc(NC(=O)C2=C(O)c1ccccc1S(=O)(=O)N2C)s3 Tox21_302756 -NCGC00256486-01 196719469 tox21-ror-cho-viability-p1 set2 4 4.3277125691 3.4503304559 -0.4503304559 3 4.9549173134 0.3983347988 0.2789262651 -0.10329304 -0.48315851 1.07945636 0.33919755 0.00564936 -0.31899521 0.43172743 2.87353164 -2.85678656 -5.37527538 0.66867206 4.74876622 2.40778039 1.05107735 4.23322017 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 143-07-7 3893 144213327 A A Dodecanoic acid O=C(O)CCCCCCCCCCC Tox21_303010 -NCGC00254915-01 196720281 tox21-ror-cho-viability-p1 set3 4 0.002730602 18.145315392 -19.145315392 -1 0.5 0.6021196205 0.095968224 -9.92373957 -15.12109616 -7.10053434 -1.16605856 -7.29021416 -8.34465158 -1.16352235 -0.99476711 -2.91480098 -4.32828904 0.9001171 1.80623808 -3.20531273 -1.98271527 -1.29636283 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-83-1 8016 144211330 A A N-Methylethanolamine CNCCO Tox21_301013 -NCGC00254624-01 196720285 tox21-ror-cho-viability-p1 set3 4 0.0054482673 -15.400029508 12 -3.400029508 4.9549173134 0.6415419523 0.0692317371 4.04972376 20.98571502 0.83407717 1.22639168 -0.5517256 -8.25002459 -0.79043223 -5.79765314 -5.19980455 -2.38809743 -5.59704962 -1.38411587 -3.46511012 -2.55403123 -5.87692357 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 29232-93-7 34526 144211035 B C Pirimiphos-methyl CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1 Tox21_300718 -NCGC00091011-05 196720287 tox21-ror-cho-viability-p1 set3 2.1 21.6899429044 69.9901082029 -3.1616736155 66.8284345874 3.6772481694 0.9333569993 0.0000851945 -2.52699966 -12.76408549 -6.24557325 -1.80430889 -9.68655121 -5.81229921 7.82904024 -3.1548939 -0.39804231 -0.63942243 -1.19523401 -0.12663104 22.85670263 60.34049396 42.88260267 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00254448-01 196720289 tox21-ror-cho-viability-p1 set3 4 5.95951123 -1.45897911 1.80058937 -6.50286631 -1.00119483 2.25301693 -7.31360087 -1.14817287 -8.73090753 -8.58795791 -1.42311025 -1.92282146 -2.01885665 0.10688921 0.06617924 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-25-4 8170 144210863 A A 2-(Hexyloxy)ethanol OCCOCCCCCC Tox21_300545 -NCGC00254902-01 196720292 tox21-ror-cho-viability-p1 set3 4 61.130564862 19.399554304 -3.399554304 16 3.6772481694 0.5949287787 0.1009303489 -5.44651818 -11.58296192 -7.16270995 -2.00853085 -5.34612915 -5.27997543 0.7803984 1.03025764 -2.06732854 0.05944356 -1.50000714 -0.85502803 -1.62732896 0 12.48228231 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10043-35-3 7628 144211317 A Boric acid OB(O)O Tox21_301000 -NCGC00256960-01 196719043 tox21-ror-cho-viability-p1 set2 4 54.4826732819 10.543742944 -4.043742944 6.5 4.5044702849 0.5220638882 0.1606997778 -5.2543279 -2.26411707 -3.75107432 -7.05699898 -7.50514901 -0.52312372 -3.82406945 -4.85365748 -9.20311912 -0.75211314 -1.92529621 -1.81096067 -3.8943077 -1.65834666 5.80502054 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-11-7 7636 144213544 A Ac 2-Ethylhexyl acrylate O=C(C=C)OCC(CCCC)CC Tox21_303227 -NCGC00257250-01 196718633 tox21-ror-cho-viability-p1 set2 4 0.08067442 0.20574379 1.3600845 1.43504726 -1.58527337 -7.82420574 -1.30938696 -4.19420166 -7.48001636 -2.5571493 0.58667964 -0.1406592 0.22898513 0.1496622 -1.52042165 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21245-02-3 30541 144213879 A A 2-Ethylhexyl 4-(dimethylamino)benzoate CN(C)c1ccc(cc1)C(=O)OCC(CC)CCCC Tox21_303574 -NCGC00254398-01 196720073 tox21-ror-cho-viability-p1 set3 4 4.63525392 1.64677186 5.43897332 3.00243715 4.9412755 -2.85993823 -3.2384285 5.44919948 3.75245276 0.92215876 0.94351387 1.80468547 4.05155072 2.7357022 -1.92565781 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-01-8 995 144210890 A Phenanthrene c2cc3ccc1ccccc1c3cc2 Tox21_300573 -NCGC00254146-01 196720074 tox21-ror-cho-viability-p1 set3 4 9.85770141 0.2377948 -4.49249379 12.75650059 12.46909743 0.54024085 -2.57424812 2.13582829 -2.03228539 -5.96538022 12.99204529 12.01063839 5.72713147 3.4952026 2.17802905 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-28-0 7185 144210629 A A Triethylene glycol bis(2-ethylhexanoate) O=C(OCCOCCOCCOC(=O)C(CC)CCCC)C(CC)CCCC Tox21_300309 -NCGC00253946-01 196719678 tox21-ror-cho-viability-p1 set3 4 0.0034341287 16.39427834 -16.89427834 -0.5 0.6 0.5174285082 0.1636204325 -9.10154982 -15.74523195 -4.87426435 -0.6948891 -2.96495649 -10.14564722 -0.25821609 -4.52069865 1.9181434 0.97877963 -1.94313794 2.03925358 -1.72262422 -0.75508738 -1.7151109 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 123-25-1 31249 144210606 A A Diethyl butanedioate O=C(CCC(=O)OCC)OCC Tox21_300286 -NCGC00254190-01 196720072 tox21-ror-cho-viability-p1 set3 4 17.21841982 -3.84418377 -5.59235246 2.00728264 11.58380766 -5.76151081 -6.08928554 -1.36338681 14.02089937 17.13107046 15.94388897 10.90904609 3.66591937 7.94032978 1.19411642 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 116-25-6 67000 144210422 A D 1-(Hydroxymethyl)-5,5-dimethylhydantoin CC1(C)C(=O)NC(=O)N1CO Tox21_300102 -NCGC00254822-01 196720077 tox21-ror-cho-viability-p1 set3 4 4.57216673 0.71503632 9.05795599 1.15492035 -1.97871742 -1.64844377 18.06112111 1.62567239 -3.24729638 2.21047753 14.06412073 16.72684259 12.66584875 8.45693977 0.31747823 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1596-84-5 15331 144211236 A A Daminozide O=C(NN(C)C)CCC(=O)O Tox21_300919 -NCGC00254962-01 196720084 tox21-ror-cho-viability-p1 set3 4 -1.74195886 -2.29668076 -5.71415597 2.22576229 -3.75422471 -4.58823733 -2.47903237 -2.25475314 -3.53048665 -0.41660301 -1.5677374 0.06628853 -2.63254426 -0.77132758 -2.69289683 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 82-68-8 6720 144211377 Pentachloronitrobenzene Clc1c(c(Cl)c(Cl)c(Cl)c1Cl)[N+]([O-])=O Tox21_301060 -NCGC00254870-01 196720488 tox21-ror-cho-viability-p1 set3 4 0.0497312075 -26.30706729 -12.19865501 -3.46593989 -3.12771613 -4.22393769 -3.72741 0 -1.9495021 -0.13667457 -0.06834712 0.86776262 -1.10567157 15.84519501 -0.24367206 11.55737935 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-33-2 7800 144211284 A Fns Ethyl dodecanoate O=C(CCCCCCCCCCC)OCC Tox21_300967 -NCGC00254375-01 196720487 tox21-ror-cho-viability-p1 set3 4 2.6603212004 4.052791796 -1.552791796 2.5 4.9549173134 0.3805035567 0.2940786013 -5.01546062 -0.3204225 -4.7842224 2.9859793 -5.46065983 -1.12657193 -0.64041133 -0.56946177 -1.75115703 0.87639312 -3.32624656 4.78472207 2.04425819 0.95515657 2.53825869 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 171866-31-2 10021362 144210749 A A CP-283097 Fc1ccc(cc1)C2(O)CCN(CC2)[C@@H]4COc3cc(O)ccc3[C@@H]4O Tox21_300431 -NCGC00254081-01 196720494 tox21-ror-cho-viability-p1 set3 4 3.27516063 2.87339221 5.08027982 1.03161484 5.46403177 -0.48302216 -3.70943142 5.50684313 -0.88828893 2.9824361 1.45489122 -1.31376086 -2.69537168 1.39061122 0.17872254 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 313994-79-5 5481119 144210543 A A MK-578 CCn5nc(Cc1ccccc1)cc5C4CCN(C[C@H]3C[C@@H](C[C@@H]3c2cccc(F)c2)N(C)[C@@H](C(=O)O)C(C)C)CC4 Tox21_300223 -NCGC00254181-01 196720496 tox21-ror-cho-viability-p1 set3 4 0.0611305649 17.632277088 -5.632277088 12 2.7867712143 0.8830477394 0.0006979693 -6.41268069 -8.44356424 -3.94149017 -3.87838305 -2.77958067 2.58087119 12.60096808 10.02633747 14.03624357 14.24287357 15.2509947 13.68997301 13.83772921 8.28425837 4.29451427 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-13-6 1176 144210355 A Urea NC(N)=O Tox21_300035 -NCGC00255063-01 196720499 tox21-ror-cho-viability-p1 set3 4 15.3553036427 -15.529996488 8 -7.529996488 4.9549173134 0.4362011623 0.2540858099 8.69065418 9.35688015 2.66604661 6.62714334 8.40585995 14.78298486 1.1451069 19.87769468 2.58097212 5.5732914 3.08243002 16.07284147 -4.30766556 -6.69166374 1.09367468 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-20-1 61007 144211482 A A 4-(4-Methoxyphenyl)-2-butanone COc1ccc(CCC(C)=O)cc1 Tox21_301165 -NCGC00254397-01 196720504 tox21-ror-cho-viability-p1 set3 4 -2.20626125 -1.18097572 4.1562867 -1.36372366 -3.31800586 0.7457876 3.28133107 0.37516037 3.39462096 3.10939271 0.76720817 -0.22053979 -1.06926123 1.75932665 -2.09018047 8.553E-10 1.913E-9 4.276E-9 9.563E-9 2.138E-8 4.7809999999E-8 1.0689999999E-7 2.391E-7 5.3459999999E-7 0.000001195 0.000002673 0.000005977 0.000013359999999 0.00002988 0.000066819999999 1095-90-5 14184 144210950 A A Methadone hydrochloride Cl.CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2 Tox21_300633 -NCGC00255341-01 196701342 tox21-ror-cho-viability-p1 set1 4 2.21888922 3.16382497 -0.62199998 1.950882 0.94901393 1.66438136 -0.49488531 1.44833517 2.37411623 -0.04253112 3.05239059 2.45083248 1.62138175 1.73079933 0.19635464 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 542-92-7 7612 144212451 FNS 1,3-Cyclopentadiene C1=CC=CC1 Tox21_302134 -NCGC00257821-01 196702162 tox21-ror-cho-viability-p1 set1 4 21.5797018461 6.21226118 -1.21226118 5 4.9549173134 0.474670149 0.2042350532 -6.01021765 1.53294603 -0.3092766 -5.19441889 0.69521334 -0.50823052 -3.06492677 -2.25826383 0.96478487 -0.1342996 -2.55882202 0.59440065 0.46978403 5.97153858 3.42858333 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.000018359999999 0.000041049999999 0.000091779999999 100-75-4 7526 144207465 A F N-Nitrosopiperidine O=NN1CCCCC1 Tox21_200267 -NCGC00257754-01 196701740 tox21-ror-cho-viability-p1 set1 4 7.20769347 5.59718434 0.48487398 -2.74674926 -2.41181477 0.18948977 8.27242464 2.19891679 -0.95410352 0.61561185 2.16583168 -0.07963433 7.07212368 4.32759908 8.98791273 1.2229999999E-9 2.734E-9 6.113E-9 1.367E-8 3.057E-8 6.8349999999E-8 1.528E-7 3.417E-7 7.641E-7 0.000001709 0.000003821 0.000008543 0.0000191 0.00004272 0.00009552 107-18-6 7858 144207398 A A Allyl alcohol C=CCO Tox21_200200 -NCGC00257619-01 196702154 tox21-ror-cho-viability-p1 set1 4 0.1250790161 -10.2135926479 -2 -12.2135926479 0.4 0.3819886532 0.3067968261 -3.33698053 -4.2485921 -7.96056668 -0.34664532 -9.2422245 1.2616404 -13.09466054 -7.9301917 -6.92720887 -10.77600454 -12.0812504 -8.52822142 -12.28734157 -10.13484624 -6.64530395 1.2049999999E-9 2.694E-9 6.024E-9 1.347E-8 3.012E-8 6.7349999999E-8 1.506E-7 3.367E-7 7.5299999999E-7 0.0000016839999999 0.000003765 0.000008418 0.00001882 0.00004209 0.00009412 999-81-5 13836 144207263 A A Chlormequat chloride [Cl-].C[N+](C)(C)CCCl Tox21_200065 -NCGC00258323-01 196702163 tox21-ror-cho-viability-p1 set1 4 8.30005085 0.41048827 -0.04191175 3.03211251 1.88863515 1.47961189 -2.89402259 6.81031986 4.92465742 2.15823324 -1.27225269 0.82945233 6.50928537 6.54462103 -0.94063572 1.219E-9 2.725E-9 6.093E-9 1.3619999999E-8 3.046E-8 6.8119999999E-8 1.5229999999E-7 3.406E-7 7.616E-7 0.000001703 0.000003808 0.000008515 0.000019039999999 0.00004257 0.0000952 105-58-8 7766 144207967 AC Fns Diethyl carbonate O=C(OCC)OCC Tox21_200769 -NCGC00257683-01 196702175 tox21-ror-cho-viability-p1 set1 4 1.62375909 -3.40079294 -0.81404275 9.04056596 3.51180701 2.69074068 2.4639806 1.86412819 -2.61346963 2.88495381 -0.05221122 4.2681912 -6.80072569 4.71286162 8.28209388 1.2089999999E-9 2.703E-9 6.0439999999E-9 1.3509999999E-8 3.022E-8 6.757E-8 1.511E-7 3.379E-7 7.5549999999E-7 0.000001689 0.000003777 0.000008446 0.00001889 0.000042229999999 0.00009443 100-53-8 7509 144207327 A A Benzenemethanethiol SCc1ccccc1 Tox21_200129 -NCGC00257633-01 196702574 tox21-ror-cho-viability-p1 set1 4 61.25491928 -14.114040388 -3.686775724 -17.800816112 0.2 0.333861221 0.3546660422 -4.38282607 -5.13348285 -3.53919644 -5.38269699 -9.26771575 -9.48479081 -10.35287664 -6.73537322 -2.23897977 -7.99716013 -6.4768283 -9.66360586 -13.16734676 -10.00449092 -7.75625072 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.61E-8 1.4779999999E-7 3.305E-7 7.3899999999E-7 0.0000016519999999 0.0000036949999999 0.000008262 0.000018469999999 0.00004131 0.00009237 354-58-5 9635 144207277 1,1,1-Trichloro-2,2,2-trifluoroethane ClC(Cl)(Cl)C(F)(F)F Tox21_200079 -NCGC00257648-01 196702586 tox21-ror-cho-viability-p1 set1 4 -9.46783611 -11.03496041 -4.14295792 -4.2852112 -9.20187943 -2.75546129 -10.01382953 -4.17869698 -3.36178347 -5.55358934 -12.10922937 -12.12680013 -5.53173031 -5.40784384 -8.31795639 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.346E-8 3.009E-8 6.728E-8 1.504E-7 3.3639999999E-7 7.522E-7 0.000001682 0.000003761 0.0000084099999999 0.0000188 0.000042049999999 0.00009402 115-19-5 8258 144207292 A A 2-Methyl-3-butyn-2-ol C#CC(C)(C)O Tox21_200094 -NCGC00257649-01 196702588 tox21-ror-cho-viability-p1 set1 -1.1 17.6058248054 -71.7944758301 -7.2864207059 -79.080896536 2.2526478767 0.969113935 5.723E-7 -4.67984318 -5.8570575 -6.0501582 -3.54970848 -11.91238167 -3.91153041 -10.92985574 -6.0132153 -4.95601221 -11.07496541 -13.32524679 -19.57014349 -32.82196232 -73.81741378 -72.25623443 9.917E-10 2.218E-9 4.959E-9 1.1089999999E-8 2.479E-8 5.544E-8 1.24E-7 2.7719999999E-7 6.198E-7 0.0000013859999999 0.000003099 0.00000693 0.0000155 0.000034649999999 0.00007748 68844-77-9 2247 144207293 A A Astemizole Fc1ccc(cc1)Cn4c5ccccc5nc4NC3CCN(CCc2ccc(OC)cc2)CC3 Tox21_200095 -NCGC00258063-01 196702595 tox21-ror-cho-viability-p1 set1 4 60.3853254505 -28.335011176 1.5 -26.835011176 2.3031167061 0.9697456255 5.154E-7 2.48063522 1.31215514 2.46033193 3.23594224 0.68255912 1.35560681 1.32630226 2.45412885 0.94483297 -0.24008269 -0.0656486 0.88750846 -0.72670324 -6.01398711 -19.02917598 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.53E-8 1.4599999999E-7 3.265E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.000008162 0.00001825 0.00004081 0.00009125 73590-58-6 4594 144207707 D Omeprazole Cc3c(OC)c(C)cnc3CS(=O)c1nc2cc(ccc2n1)OC Tox21_200509 -NCGC00260675-01 196702998 tox21-ror-cho-viability-p1 set1 4 4.45711506 1.70094936 0.63946272 3.6895489 -7.90063015 -0.26486806 -2.07156255 1.75983406 5.71065096 1.89047355 2.5616533 -0.2570234 0.47342882 2.22447142 7.55893222 5.881E-11 1.3149999999E-10 2.9399999999E-10 6.575E-10 1.4699999999E-9 3.288E-9 7.351E-9 1.644E-8 3.676E-8 8.219E-8 1.838E-7 4.1089999999E-7 9.189E-7 0.000002055 0.000004594 7787-59-9 6328152 144209977 Bismuth oxychloride Cl[Bi]=O Tox21_202779 -NCGC00357018-01 196703001 tox21-ror-cho-viability-p1 set1 4 -4.74963194 -2.00678515 -1.98777349 1.31487854 -1.39146214 -0.44095836 -0.21652385 0.96934644 -1.01469555 -0.15922329 -0.15845023 -3.82093314 -5.20424606 -3.29684665 -5.2261783 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2081-08-5 608116 251919827 A Bisphenol E CC(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_304007 -NCGC00163953-03 196703002 tox21-ror-cho-viability-p1 set1 -3 72.7253077472 -72.8911463386 -0.177367022 -73.0685133606 4.9549173134 0.9806985707 3.87E-8 -3.49344223 -0.32260957 0.92025257 -1.95833171 -2.462315 2.13510809 1.68227649 -1.52634796 2.59231041 1.39511323 -0.53446211 2.10277009 -3.56873279 -2.9430563 -59.18135981 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00253632-01 196722764 tox21-ror-cho-viability-p1 set3 4 2.446459 2.49242496 0.23810772 0.60437927 0.83394923 2.64679428 1.11454719 0.07361349 11.20445711 11.93636493 8.8222213 -1.88890372 4.85728949 -3.7914764 7.49971431 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 171714-84-4 177236 170466416 A A Darusentan O=C(O)[C@@H](Oc1nc(cc(OC)n1)OC)C(OC)(c2ccccc2)c3ccccc3 Tox21_113760 -NCGC00091632-02 196722766 tox21-ror-cho-viability-p1 set3 4 0.28236576 5.7631417 -1.08496339 -1.11867224 3.17959852 -11.17342802 -0.47396533 -1.87573452 11.07395893 7.57454165 5.96578681 6.05412033 -4.43313582 6.60559139 1.23917766 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00164634-02 196722749 tox21-ror-cho-viability-p1 set3 4 33.4914596268 13.52363734 -2.52363734 11 4.9549173134 0.6003771267 0.0975237067 -1.86185765 -1.91126545 -1.77286557 -1.74422036 -0.03262522 0.93493653 -0.14387689 -0.80496949 -6.32755783 -2.4041428 -2.51627952 -3.09240579 -7.93636445 -5.32375336 9.89679401 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80573-04-2 6335412 170465305 A Balsalazide disodium OC(=O)c1cc(ccc1O)/N=N/c2ccc(cc2)C(=O)NCCC(=O)O Tox21_112252_1 -NCGC00160667-03 196722763 tox21-ror-cho-viability-p1 set3 4 6.6824247267 -10.8220188839 -2 -12.8220188839 0.8999999999 0.7301666042 0.0338039357 -4.06643497 -4.93318707 -0.42446297 -1.85641773 -2.61636155 0.40680179 -0.93771245 -1.65748961 -4.41909233 -3.71875661 -3.2753504 -7.50709934 -7.11074423 -10.26834907 1.29330363 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-19-9 7181 170466284 A Sulfaethidole O=S(=O)(Nc1nnc(CC)s1)c2ccc(N)cc2 Tox21_111971_1 -NCGC00015300-10 196723161 tox21-ror-cho-viability-p1 set3 4 0.0211316824 16.7742420378 -15.3334771229 1.4407649149 4.9549173134 0.4474952641 0.243036196 -14.2877611 -16.99392684 -13.96968875 -14.38319075 -13.57063386 0 11.49427078 0 -5.43488156 -8.07774783 -4.32811531 -12.37061195 24.19077486 6.5854181 -36.69747579 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67469-78-7 104920 170466088 A Vanoxeamine Cl.Cl.Fc1ccc(cc1)C(OCCN2CCN(CC2)CCCc3ccccc3)c4ccc(F)cc4 Tox21_110125_1 -NCGC00164586-02 196723162 tox21-ror-cho-viability-p1 set3 2.2 21.1316824289 59.970374357 -3.6060346919 56.3643396651 2.4063783767 0.9515009351 0.0000071157 -4.98419148 -8.00502891 -2.77528058 4.25210041 -0.18489209 -0.02021372 -3.71973851 -1.29737214 -6.1601958 -7.72832937 -7.46432861 -4.19181422 3.86051176 25.42226341 48.48549969 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1248-42-6 121097 170466541 A Pitofenone hydrochloride Cl.O=C(OC)c1ccccc1C(=O)c3ccc(OCCN2CCCCC2)cc3 Tox21_112212_1 -NCGC00091345-04 196723176 tox21-ror-cho-viability-p1 set3 4 -2.03135987 -3.34474778 0.74002225 -0.95452 0.58328791 0.42299048 2.37884754 -2.88862094 5.78787008 6.94103882 -0.55354325 0.21160817 -6.99598682 0.30172081 -2.01377562 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 124-04-9 196 170465352 A Hexanedioic acid OC(=O)CCCCC(=O)O Tox21_111118_1 -NCGC00161420-06 196723177 tox21-ror-cho-viability-p1 set3 -2.1 33.4914596268 -92.921849033 -4.419915091 -97.341764124 2.7202212143 0.9437032369 0.0000160254 -1.24816612 -2.62602852 -5.50119534 -0.06372058 -0.57242907 -2.03278556 -0.04139911 -0.48682457 -4.46394577 -8.93088869 -5.48649518 -11.91164192 -16.70052562 -21.41682215 -73.7437607 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 116666-63-8 60662 170466110 A Mibefradil dihydrochloride Cl.Cl.CC(C)[C@H]3c4ccc(F)cc4CC[C@]3(OC(=O)COC)CCN(C)CCCc1nc2ccccc2n1 Tox21_111244_1 -NCGC00016743-08 196723178 tox21-ror-cho-viability-p1 set3 4 -7.71105088 -6.73990653 1.85494504 -7.20280863 -7.1494224 -22.71517984 -4.7269436 -24.37005744 -1.03886838 1.37020397 -0.54452467 -1.61065075 -5.65598577 -3.38213116 4.18752935 1.1799999999E-10 2.638E-10 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 19562-30-2 4855 170466042 A Piromidic acid O=C(O)C2=CN(CC)c1nc(ncc1C2=O)N3CCCC3 Tox21_110587_1 -NCGC00164501-02 196723179 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -34.187544976 -1.5 -35.687544976 4.9549173134 0.7572330777 0.0173924538 -5.69843884 3.07674099 0.31164705 -4.62499066 -5.4161344 -5.13342339 -5.8269504 -5.92526718 3.80688212 -2.13299962 3.64543929 0.03081402 -5.40575605 3.16097563 -31.40628748 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67-28-7 9561033 170466613 D Nihydrazone O=[N+]([O-])c1ccc(/C=N/NC(C)=O)o1 Tox21_112139_1 -NCGC00159374-03 196723181 tox21-ror-cho-viability-p1 set3 4 33.4914596268 23.03401006 0.96598994 24 4.9549173134 0.6502964687 0.0640534369 -2.71219845 5.55408037 -2.99626068 -2.58492945 4.8242939 6.32299709 1.85667126 2.87272311 -4.61167505 3.90828953 4.69224599 0.27857158 -2.82694018 2.63845784 20.08454609 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 302-17-0 2707 170465484 F Chloral hydrate ClC(Cl)(Cl)C(O)O Tox21_111614_1 -NCGC00021152-06 196723578 tox21-ror-cho-viability-p1 set3 4 2.98507334 -2.71312177 -0.97267493 -1.47062487 -7.06110321 0.50202713 -7.34888281 15.76769928 -2.23094323 10.84205532 -9.20535177 10.60945277 -12.0369428 -6.714995 -1.15899775 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68-88-2 3658 170464958 A Hydroxyzine Clc1ccc(cc1)C(c2ccccc2)N3CCN(CC3)CCOCCO Tox21_113569_1 -NCGC00164497-02 196723584 tox21-ror-cho-viability-p1 set3 4 -2.20218537 0.32914661 -1.77706279 4.49750096 -0.30632433 -0.59864792 0 0.56242246 -3.95672734 -4.36191151 5.73732492 -6.99885217 -1.71567988 -0.94857022 4.65306109 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1038-59-1 13953 170466585 A Glyoctamide Cc1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCCCC2 Tox21_112135_1 -NCGC00255774-01 196710601 tox21-ror-cho-viability-p1 set2 4 -9.18086109 -0.42736258 -0.68055185 -4.81990999 -2.77147821 1.12057944 -0.86171117 -5.62665396 -3.73989858 1.65981419 2.15685995 1.36438177 -3.10124334 -3.16573157 -3.90941854 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1185-53-1 93573 144212474 A A Tromethamine hydrochloride Cl.OCC(N)(CO)CO Tox21_302157 -NCGC00090910-03 196710179 tox21-ror-cho-viability-p1 set2 4 -0.64004711 0.12667814 -0.05517897 -0.42121731 0.88450048 4.35914256 0.09652571 0.83691443 3.83571396 4.97617584 2.8898528 2.58791499 3.30012614 -3.31265735 -2.5390101 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00255678-01 196710578 tox21-ror-cho-viability-p1 set2 4 3.08106097 -0.32658558 2.15328504 -0.53905918 0.95246258 -0.20597706 0.5207662 0.64447993 0.39148917 0.06058767 0.96986713 1.6870688 0.39445003 1.16634667 2.39484403 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1124-04-5 70754 144212242 A A 2-Chloro-4,5-dimethylphenol Cc1cc(O)c(Cl)cc1C Tox21_301925 -NCGC00255755-01 196710589 tox21-ror-cho-viability-p1 set2 4 -7.53993273 -1.73323404 -3.11071003 -4.1525972 -5.71887587 -0.44109398 -4.75886703 -0.63724963 -0.76348253 -3.4782137 -0.3000772 -4.06854063 -6.58341282 -10.89592644 -11.32716045 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66063-05-6 91692 144211572 A A Pencycuron Clc1ccc(cc1)CN(C(=O)Nc2ccccc2)C3CCCC3 Tox21_301255 -NCGC00256079-01 196711000 tox21-ror-cho-viability-p1 set2 4 -2.24346957 -4.44726448 1.32073197 -1.85849246 -5.16379521 -4.84805705 -2.09793499 -3.60518415 -3.77773165 -1.22623686 -0.08442561 0.03425472 0.21741374 0.908641 -0.50311315 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1561-92-8 23663624 144212034 A Sodium 2-methylprop-2-ene-1-sulfonate [Na+].C=C(C)CS([O-])(=O)=O Tox21_301717 -NCGC00255703-01 196711014 tox21-ror-cho-viability-p1 set2 4 -0.93241537 3.10811063 0.37818814 -0.15415397 -0.29728827 1.24184819 -2.99722425 -3.47084556 -0.82966396 0.23275918 0.04094432 0.28278842 0.92382074 -1.60677688 0.29089981 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2657-00-3 75868 144212520 Fc Fns 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo, sodium salt [Na+].[O-]S(=O)(=O)c2cccc1c2C=C\C(=[N+]=[N-])C1=O Tox21_302203 -NCGC00255229-01 196711016 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -14.8674152959 0 -14.8674152959 4.9549173134 0.7170672758 0.0314097998 0.50220681 2.5920234 -4.51381417 -0.76494913 1.54494935 0.83905696 -0.68710181 0.05277527 1.18853832 -0.37217448 -4.0986235 0.81555594 0.51196304 -0.56990596 -11.97284608 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52-01-7 5833 144212471 F A Spironolactone CC(=O)S[C@@H]4CC1=CC(=O)CC[C@]1(C)[C@H]5CC[C@@]3(C)[C@@H](CC[C@]23CCC(=O)O2)[C@H]45 Tox21_302154 -NCGC00260051-01 196711429 tox21-ror-cho-viability-p1 set2 4 -6.89665238 -36.84430328 -11.43190111 -19.30506956 -11.15657518 -13.08194685 0 -10.29191074 0 0 -31.13936983 0 -18.99753926 -2.63817733 -4.43819098 1.2399999999E-9 2.772E-9 6.1989999999E-9 1.386E-8 3.099E-8 6.9299999999E-8 1.55E-7 3.4649999999E-7 7.748E-7 0.000001733 0.000003874 0.000008663 0.00001937 0.00004331 0.00009685 1277-43-6 92884 144209700 Fc Cobaltocene [Co+2].[c-]1cccc1.c1[c-]ccc1 Tox21_202502 -NCGC00260454-01 196711431 tox21-ror-cho-viability-p1 set2 -2.2 43.7176041855 -41.372148292 2 -39.372148292 2.4063783767 0.9460913547 0.0000127012 -0.57081445 -0.07094851 -0.63505552 0.32937015 1.6072445 1.35373684 3.21918298 2.77703572 3.35820733 2.2103335 1.49937579 4.93883822 2.67869079 -20.819044 -32.39345691 1.19E-9 2.6619999999E-9 5.9519999999E-9 1.331E-8 2.976E-8 6.654E-8 1.4879999999E-7 3.3269999999E-7 7.44E-7 0.0000016639999999 0.00000372 0.0000083179999999 0.0000186 0.00004159 0.000093 2693-46-1 17599 144210106 A A 3-Aminofluoranthene Nc4ccc2c1ccccc1c3cccc4c23 Tox21_202908 -NCGC00356987-01 196711838 tox21-ror-cho-viability-p1 set2 -2.4 68.5896218971 -34.038742404 1.5 -32.538742404 4.9549173134 0.7568442041 0.0175068724 0.02760462 1.3257201 -1.50210016 -1.49710712 -0.16430441 0.6667212 3.25292875 1.23439366 4.20362399 4.84902067 1.64501304 3.33027598 -7.80741012 8.63098358 -27.11561867 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5742-17-6 57358267 251919714 A 2,4-D, isopropylamine salt Clc1cc(Cl)ccc1OCC(=O)O.CC(C)N Tox21_303714 -NCGC00357184-01 196711843 tox21-ror-cho-viability-p1 set2 2.4 48.5577336745 23 2 25 0.4 0.7038558105 0.0366144016 0.08944109 1.38707493 2.51797941 1.73793289 7.00871831 2.75176287 4.16214248 8.20789264 8.35096859 8.92180443 4.1290938 7.25381307 8.473028 11.2795479 20.05260609 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5405-41-4 62572 251919682 A Ethyl 3-hydroxybutyrate CC(O)CC(=O)OCC Tox21_303950 -NCGC00164127-03 196708960 tox21-ror-cho-viability-p1 set2 -3 54.4826732819 -55.8139075138 -0.588289921 -56.4021974348 3.6272481694 0.9916425823 0.3786299948 -1.00754642 -0.22616187 0.00647794 1.71456782 -1.45684513 -3.11156118 -34.28194115 -0.04172357 -2.62263139 -1.1273861 -0.06719383 -0.5311148 -46.14700609 -13.56962257 -49.16833139 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00258925-01 196721315 tox21-ror-cho-viability-p1 set3 4 -4.24051788 -1.49230153 -12.97946934 -8.84933096 -2.1585288 -5.28670545 -5.50629838 -0.51362503 -1.96306992 -2.5714182 -2.72973168 -2.12956649 -4.72466026 -7.67823262 -11.70720437 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.971E-8 6.6439999999E-8 1.486E-7 3.3219999999E-7 7.429E-7 0.0000016609999999 0.000003714 0.000008305 0.00001857 0.00004153 0.00009286 501-36-0 445154 144208572 A A Resveratrol Oc2cc(/C=C/c1ccc(O)cc1)cc(O)c2 Tox21_201374 -NCGC00091210-02 196720911 tox21-ror-cho-viability-p1 set3 4 -9.81007951 -5.23573304 -5.43032688 -0.59944694 -7.50532857 -10.87620096 -7.01550707 -9.00233216 -8.77522639 -5.96351285 -11.02008338 -10.10577937 -10.68813071 -5.69186827 -12.78430875 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00259175-01 196720917 tox21-ror-cho-viability-p1 set3 -1.1 1.3713268263 -85.4634107121 -1.6271367259 -87.090547438 1.9673362061 0.9957725761 0 1.67203862 -5.35659848 -3.13683225 -0.28430704 -1.74995518 -0.61963572 -3.4602492 -6.90861511 -17.0303351 -53.12149051 -78.90555161 -82.73495769 -82.00964723 -89.59932864 -89.08833527 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.303E-7 7.387E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 1461-22-9 15096 144208824 A A Tributyltin chloride CCCC[Sn](Cl)(CCCC)CCCC Tox21_201626 -NCGC00259678-01 196721310 tox21-ror-cho-viability-p1 set3 -2.1 15.4021622344 -80.7438875115 4.6714185095 -76.072469002 1.713743691 0.9400173648 0.0056338408 5.40129232 13.89506711 1.89818907 3.12685849 0.20872788 -2.12048329 9.86570512 -2.96767601 9.96259153 9.95689028 -7.05978106 -15.02870528 -62.05890454 -31.54975056 -72.6765627 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9569999999E-8 6.613E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003697 0.000008266 0.00001848 0.00004133 0.000092409999999 138-89-6 8749 144209327 F N,N-Dimethyl-4-nitrosoaniline CN(C)c1ccc(N=O)cc1 Tox21_202129 -NCGC00259425-01 196721321 tox21-ror-cho-viability-p1 set3 4 44.5565504946 14.3628691199 -7.8628691199 6.5 3.5117481694 0.7181248242 0.0307616293 -8.18866615 -6.51041437 -8.12418328 -5.64485199 -6.73360083 -2.92037019 -6.70887659 -10.29033626 -11.9690576 -8.68448968 -10.02927657 -7.64938269 -11.28513908 -0.35474166 5.34302182 1.2089999999E-9 2.703E-9 6.045E-9 1.352E-8 3.022E-8 6.758E-8 1.511E-7 3.379E-7 7.556E-7 0.00000169 0.0000037779999999 0.000008448 0.00001889 0.00004224 0.000094449999999 90-16-4 7006 144209074 A A 1,2,3-Benzotriazin-4(1H)-one O=C2N=NNc1ccccc12 Tox21_201876 -NCGC00259823-01 196721324 tox21-ror-cho-viability-p1 set3 4 -0.69120034 1.5117081 -3.82004376 12.46992543 0.34356022 -0.39021242 -0.70411412 -2.58895818 -0.10575447 -1.03744892 -0.37840667 0.87128769 1.44468413 -1.17310256 1.86228809 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.569E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003672 0.0000082119999999 0.000018359999999 0.00004106 0.00009181 2416-94-6 17016 144209472 A A 2,3,6-Trimethylphenol Cc1ccc(C)c(O)c1C Tox21_202274 -NCGC00260671-01 196721325 tox21-ror-cho-viability-p1 set3 4 -1.3524947 -2.14252984 -5.98934506 2.714961 -1.75628468 2.35609129 -4.55117262 -2.86931897 -4.88018002 -10.46608634 -7.41367963 -6.68823594 -12.24475517 1.86131777 -5.14596524 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.468E-7 3.2829999999E-7 7.3419999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.00001835 0.00004104 0.00009177 115-86-6 8289 144208709 A A Triphenyl phosphate O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3 Tox21_201511 -NCGC00259934-01 196721702 tox21-ror-cho-viability-p1 set3 4 75.8644407358 -18.932820884 -3.754470416 -22.6872913 4.9549173134 0.7244744322 0.0284010342 -5.89003637 -1.46205868 -6.09373068 -1.56637538 -6.16138096 -6.3281426 -6.92462484 -6.55133575 -5.57844298 -1.72348661 -4.01175966 -3.88604911 -3.12786397 -2.61970682 -18.07274275 1.166E-9 2.6069999999E-9 5.829E-9 1.303E-8 2.9139999999E-8 6.517E-8 1.457E-7 3.2579999999E-7 7.286E-7 0.000001629 0.0000036429999999 0.000008146 0.00001821 0.00004073 0.00009107 80-43-3 6641 144209583 A A Dicumyl peroxide CC(C)(OOC(C)(C)c1ccccc1)c2ccccc2 Tox21_202385 -NCGC00259491-01 196721722 tox21-ror-cho-viability-p1 set3 4 0.0120303435 7.0025233159 -6.0025233159 1 3.9899729863 0.38809954 0.2843052131 1.29285459 -11.66876943 -7.971085 -0.7267177 1.94500827 2.07193583 0.53705363 2.61772716 2.02524617 1.28017923 1.1939339 -7.37142905 3.16134098 -0.53206405 3.48661609 1.284E-9 2.8709999999E-9 6.42E-9 1.436E-8 3.2099999999E-8 7.178E-8 1.605E-7 3.5889999999E-7 8.0249999999E-7 0.0000017939999999 0.0000040119999999 0.000008972 0.000020059999999 0.00004486 0.0001003 75-12-7 713 144209140 A A Formamide NC=O Tox21_201942 -NCGC00256779-01 196719269 tox21-ror-cho-viability-p1 set2 4 -0.95736007 2.15341265 1.62297801 2.6410502 2.45243242 5.56677042 2.92907328 4.79962744 2.36446617 -0.18844971 3.20897431 7.81408468 3.23663998 7.03837544 4.52548124 9.2299999999E-10 2.064E-9 4.615E-9 1.0319999999E-8 2.308E-8 5.16E-8 1.154E-7 2.58E-7 5.7689999999E-7 0.00000129 0.000002884 0.00000645 0.00001442 0.00003225 0.00007211 911217-00-0 60196433 144212843 A A Ammonium glycyrrhizinate trihydrate [NH4+].O.O.O.O=C(O)[C@@]6(C)CC[C@]7(C)CC[C@]5(C)C(=CC(=O)[C@H]4[C@@]5(C)CC[C@@H]3[C@]4(C)CC[C@H](O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C([O-])=O)[C@@]3(C)C)[C@@H]7C6 Tox21_302526 -NCGC00256579-01 196718423 tox21-ror-cho-viability-p1 set2 4 68.5896218971 10.8852966319 -0.8852966319 10 4.9549173134 0.8268971883 0.0044839579 -1.96802667 -1.95491428 0.396772 -2.2545595 -1.04290308 -0.97234468 -1.02978409 0.82129077 -1.66784156 -0.18257253 -2.40441386 0.57011276 0.09216097 -0.34801368 7.92977751 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 756-79-6 12958 144213346 A Dimethyl methylphosphonate CP(=O)(OC)OC Tox21_303029 -NCGC00091663-03 196704236 tox21-ror-cho-viability-p1 set1 4 2.77685531 -0.857173 3.53546862 1.64922373 0.0306295 2.56200128 -0.22529554 0.8531188 0.98649958 1.35993914 0.6197548 -0.21909076 2.40934598 4.06001111 -2.36213586 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00260033-01 196703838 tox21-ror-cho-viability-p1 set1 4 3.25061259 0.14587052 -0.08314543 2.33232785 -1.85100278 0.91643349 3.74273687 4.15809648 -1.29956525 0.25582321 3.63120682 0.99261318 0.19192672 0.19005964 -0.84997723 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041219999999 0.00009218 1397-89-3 5280965 144209682 FNS Amphotericin B O=C(O)[C@@H]3[C@@H](O)C[C@@]2(O)C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)C=CC=CC=CC=CC=CC=CC=C[C@H](O[C@@H]1O[C@H](C)[C@@H](O)[C@H](N)[C@@H]1O)C[C@@H]3O2 Tox21_202484 -NCGC00260150-01 196703841 tox21-ror-cho-viability-p1 set1 4 1.75390997 3.48943258 1.87738354 -0.21620489 2.60701169 3.74627912 0.82790791 4.75608795 4.00440314 -1.06334048 2.78202823 7.43657103 2.50356335 1.87969056 8.46949823 1.187E-9 2.6549999999E-9 5.936E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.3189999999E-7 7.42E-7 0.000001659 0.0000037099999999 0.0000082959999999 0.00001855 0.000041479999999 0.00009276 153-18-4 5280805 144209800 A A Rutin trihydrate Oc1ccc(cc1O)C=4Oc5cc(O)cc(O)c5C(=O)C=4O[C@@H]3O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]3O Tox21_202602 -NCGC00163930-04 196704241 tox21-ror-cho-viability-p1 set1 4 1.5569047 -5.59342565 -1.98746169 1.57088466 -1.09677023 -3.57783978 -1.38465388 -0.85017871 -3.01832564 -2.0505049 2.27664606 -4.07583837 2.15111762 0.17071226 -0.7833332 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00249891-01 196704249 tox21-ror-cho-viability-p1 set1 4 21.1316824289 -12.299976888 -1 -13.299976888 2.4063783767 0.5784204954 0.1138932915 -0.2230218 -1.37983044 2.04356939 -4.53896523 -0.07787042 1.12389064 0.45268107 -0.11619267 -5.96067289 1.42843582 -6.13185258 0.92996175 -0.66895242 -7.65182889 -11.49998074 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118-23-0 2444 170465292 A A Bromodiphenhydramine Brc1ccc(cc1)C(OCCN(C)C)c2ccccc2 Tox21_113667 -NCGC00091044-02 196729195 tox21-ror-cho-viability-p1 set3 4 1.1715807 11.72117399 14.41678326 1.92415452 -0.2700765 -7.11796735 -11.25866668 7.65363477 -10.60892892 5.0509711 2.56437508 3.77921668 5.59790358 1.78660571 -4.06868259 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00256050-01 196729188 tox21-ror-cho-viability-p1 set3 4 0 3.20922572 -2.96282955 0.6995503 -5.12955673 -3.41415968 -4.78974032 4.89431485 6.1614286 5.50302951 6.51463833 -5.63658129 -3.74178873 -3.74995362 0.58502215 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1732-10-1 15612 144212030 A A Dimethyl nonanedioate O=C(CCCCCCCC(=O)OC)OC Tox21_301713 -NCGC00255210-01 196729192 tox21-ror-cho-viability-p1 set3 -3 79.3955532426 -88.962010466 -1.138320478 -90.100330944 4.9549173134 0.8279471574 0.0041570984 0.46408013 -6.85489653 -5.58631247 -4.71498073 -2.29412338 -0.63473854 -3.30110353 -3.73765287 1.6183381 -1.82630106 -0.35690147 -8.38738793 -6.57149458 21.29959566 -75.08360912 1.3329999999E-9 2.981E-9 6.665E-9 1.49E-8 3.3329999999E-8 7.452E-8 1.666E-7 3.726E-7 8.332E-7 0.000001863 0.000004166 0.000009315 0.00002083 0.00004658 0.0001041 63449-41-2 31202 144212150 F F Benzyl-C8-18-alkyldimethylammonium chlorides [Cl-].C[N+](C)(Cc1ccccc1)CCCCCCCCCCCCCCCC Tox21_301833 -NCGC00255319-01 196729194 tox21-ror-cho-viability-p1 set3 4 6.1130564862 13.4801412159 -2.4801412159 11 4.9549173134 0.4488968317 0.2420677638 3.36068063 -2.5943374 -11.65011768 5.87471998 -0.75689755 7.37034972 -7.65695985 -0.39111323 0.25965788 -9.77588355 -9.08205582 11.63127895 8.34270893 12.03034139 2.1790495 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58-86-6 135191 144212372 A I D-Xylose O[C@H]1[C@H](O)COC(O)[C@@H]1O Tox21_302055 -NCGC00255639-01 196729196 tox21-ror-cho-viability-p1 set3 4 6.8589621897 16.2171715839 -2.2171715839 14 4.9549173134 0.4067035796 0.281596851 2.11283199 -6.47198935 -5.59714063 -9.72060935 -8.42253437 5.59839969 -6.92005824 12.62932606 10.20424264 -9.01843514 -11.43097632 11.34507406 13.9875105 12.38401344 2.08871407 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1668-54-8 15466 144212414 A A 2-Methyl-4-amino-6-methoxy-s-triazine Cc1nc(N)nc(OC)n1 Tox21_302097 -NCGC00255215-01 196729198 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -37.356094668 -4 -41.356094668 3.1319983358 0.5289374441 0.1528176748 0.9466157 5.98343543 0.60641179 -24.56920872 -1.28403378 -2.65842555 -1.7417244 -2.86919054 -4.42112624 -6.07117349 -5.49773981 -6.22824124 -6.6174345 -8.28794009 -31.13007889 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 9004-82-4 23665884 144212691 A Sodium lauryl polyoxyethylene ether sulfate [Na+].[O-]S(=O)(=O)OCCOCCCCCCCCCCCC Tox21_302374 -NCGC00018250-06 196723619 tox21-ror-cho-viability-p1 set3 4 23.7101376556 -45.281681593 13.058624831 -32.223056762 0.5 0.7126449937 0.1002780628 35.64514647 8.65920523 10.12130682 19.96164471 20.5152987 11.89544856 5.96869149 5.93958511 2.73490829 4.1914655 4.73267654 1.42085032 -1.02272415 -0.06734621 -23.20886684 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61318-91-0 65495 170465344 A Sulconazole nitrate [O-][N+](=O)O.Clc3ccc(C(SCc1ccc(Cl)cc1)Cn2ccnc2)c(Cl)c3 Tox21_110671_1 -NCGC00015236-04 196697853 tox21-ror-cho-viability-p1 set1 4 0.91017864 -2.35037247 -1.45652304 1.52809001 -0.99658604 1.3137213 0.01614406 -1.15554614 1.5211808 -0.31355379 1.57635632 -2.19916457 1.07609219 -0.71389941 -4.535667 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 137160-11-3 60839 170466443 A Aptiganel hydrochloride Cl.CN(C(=N)Nc2cccc1ccccc12)c3cc(CC)ccc3 Tox21_111220_1 -NCGC00262916-01 196723602 tox21-ror-cho-viability-p1 set3 3 29.8492948118 49.2692486988 -2.5812330614 46.6880156374 4.9549173134 0.8571139566 0.0017996366 0.04123691 -0.08647759 -0.20369028 -3.55798535 0.68673576 -3.9098562 -3.53553705 -1.48851934 -6.35473376 -6.41080861 -15.55256902 0.33090458 5.30134731 2.05227947 41.65976273 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52605-52-4 13035120 170466726 A F 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine hydrochloride Cl.Clc1cccc(c1)N2CCN(CCCCl)CC2 Tox21_113914 -NCGC00016777-08 196723609 tox21-ror-cho-viability-p1 set3 2.4 33.4914596268 36.7106320201 3.2893679799 40 0.8999999999 0.6622240171 0.0570375609 0.74057073 0.1856209 0.86295609 -0.59219335 10.02969136 0.34644055 4.46165574 -0.14466327 9.57718414 11.53065036 10.23086986 9.64479726 6.98905517 11.67628632 31.13506764 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23288-49-5 4912 170464772 A Probucol CC(C)(C)c2cc(SC(C)(C)Sc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)cc(c2O)C(C)(C)C Tox21_110605_1 -NCGC00016960-07 196723618 tox21-ror-cho-viability-p1 set3 4 -8.82346672 4.23267396 4.32449347 4.57434927 -7.4133151 -19.27533036 2.04097688 -22.00841953 2.6662429 -0.84687549 0.44406654 0.7629716 -3.77412906 -4.17151055 5.00369948 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 93479-97-1 3476 170464966 A Glimepiride CC=3CN(C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)N[C@@H]2CC[C@@H](C)CC2)C(=O)C=3CC Tox21_110713_1 -NCGC00253707-01 196723624 tox21-ror-cho-viability-p1 set3 4 13.3331902297 -16.9608492039 4.5 -12.4608492039 4.4494702849 0.7093787295 0.0425063621 3.53346778 2.94034239 4.25044475 0.7337669 12.19152071 3.33663881 2.61364487 5.16112426 2.45048438 2.79831374 6.08678185 5.95020678 3.31193688 -12.05070767 22.63018921 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27469-60-9 152932 170466736 A A 1-(Bis(4-fluorophenyl)methyl)piperazine Fc1ccc(cc1)C(c2ccc(F)cc2)N3CCNCC3 Tox21_113827 -NCGC00091586-02 196724021 tox21-ror-cho-viability-p1 set3 4 6.1130564862 -6.978299416 2.5 -4.478299416 4.9549173134 0.3113140569 0.3572069076 -7.53567382 4.08693534 3.13662379 -1.36836592 4.02914225 6.99781295 2.32178702 6.41747197 3.91374186 -0.25332801 7.86678292 -5.81194647 -5.01394087 3.35957729 -9.98191618 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00260468-01 196724022 tox21-ror-cho-viability-p1 set3 4 2.7278253826 -17.8149726399 -0.5 -18.3149726399 4.9549173134 0.5619789971 0.1254803769 -2.06909003 10.92408722 5.52105281 5.18541996 -0.48983789 -22.7624772 -1.47354059 0.0702793 -0.48825249 0.14141676 -16.811978 -13.46257806 -16.3740264 -21.44573717 -19.46217293 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 518-28-5 10607 144210120 A A Podofilox COc1cc(cc(OC)c1OC)[C@H]3[C@H]2C(=O)OC[C@@H]2[C@@H](O)c4cc5OCOc5cc34 Tox21_202922 -NCGC00260014-01 196724023 tox21-ror-cho-viability-p1 set3 4 -4.70968349 1.79316032 5.43384915 2.56558165 6.08562413 6.8224648 -5.56453806 -0.56863771 2.55185194 -7.01988647 2.7188874 -4.40885479 -2.35886986 -1.66543321 7.06861784 1.212E-9 2.711E-9 6.0619999999E-9 1.3549999999E-8 3.031E-8 6.7769999999E-8 1.515E-7 3.3889999999E-7 7.577E-7 0.0000016939999999 0.000003789 0.000008472 0.00001894 0.000042359999999 0.000094709999999 79-00-5 6574 144209663 F 1,1,2-Trichloroethane ClCC(Cl)Cl Tox21_202465 -NCGC00356977-01 196724033 tox21-ror-cho-viability-p1 set3 -1.1 6.8589621897 -51.3535432649 -3.54209939 -54.8956426549 2.3331733767 0.8483569784 0.0023614888 -9.3982238 0.85330951 4.98139095 -14.61455054 1.45192973 -3.47040026 -1.43315432 -11.93825493 -3.8271958 -1.97270871 -12.9507588 -32.71669234 -56.01428182 -33.74072514 -70.43960295 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 20018-09-1 62738 251919708 A Diiodomethyl 4-methylphenyl sulfone Cc1ccc(cc1)S(=O)(=O)C(I)I Tox21_303744 -NCGC00260264-01 196724037 tox21-ror-cho-viability-p1 set3 4 0.0021553362 11.153427728 -11.153427728 0 4.5044702849 0.6752823409 0.0510368876 -10.12785644 -2.17932141 -1.65077356 -0.12980798 -3.44720605 2.08015834 -1.03632751 -2.21363735 -0.56637791 0.22527672 2.08802865 2.64559262 0.78925544 -2.24132295 2.01401754 1.2919999999E-9 2.888E-9 6.458E-9 1.4439999999E-8 3.229E-8 7.22E-8 1.615E-7 3.6099999999E-7 8.073E-7 0.0000018049999999 0.0000040359999999 0.0000090249999999 0.00002018 0.00004513 0.0001009 109-64-8 8001 144209914 FC 1,3-Dibromopropane BrCCCBr Tox21_202716 -NCGC00260529-01 196724039 tox21-ror-cho-viability-p1 set3 4 -4.84614948 -5.84405595 -2.64017639 -8.62990536 -1.9195723 -10.87672863 0.62813219 3.94022647 -1.65293298 -3.4396446 -3.86807537 -10.40467995 -4.87998617 -9.39893211 6.17958251 1.219E-9 2.725E-9 6.093E-9 1.3619999999E-8 3.046E-8 6.8119999999E-8 1.5229999999E-7 3.406E-7 7.616E-7 0.000001703 0.000003808 0.000008515 0.000019039999999 0.00004257 0.0000952 95-83-0 7263 144210182 C C 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_202984 -NCGC00255842-01 196711024 tox21-ror-cho-viability-p1 set2 4 -0.28856047 2.75047278 0.73818873 -1.57795422 2.30455466 1.18330504 -0.48176314 2.53478887 -0.6605542 1.79927384 -1.23517666 1.65206382 -1.08338015 2.51450202 0.27151691 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 71526-07-3 3482402 144212574 A A MON-4660 ClC(Cl)C(=O)N2CCOC12CCCCC1 Tox21_302257 -NCGC00257543-01 196710199 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -78.9488027411 1.66140327 -77.2873994711 4.9549173134 0.9907011392 5E-10 2.74841453 1.28105407 -1.66834552 1.59577372 0.0226373 0.56177823 -0.06315772 4.24225248 3.05174042 2.6239114 1.87345953 3.29175559 0.24908296 -2.60465339 -62.52968212 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-03-5 31239 144211613 A A Cetylpyridinium chloride [Cl-].CCCCCCCCCCCCCCCC[n+]1ccccc1 Tox21_301296 -NCGC00256052-01 196710618 tox21-ror-cho-viability-p1 set2 4 -2.7447613 -6.94028582 -1.74847095 -2.8580431 -7.8208262 -4.68154614 -5.63543172 -6.80527719 -3.69709966 -3.56647805 0.13555458 -0.74654706 0.82590262 2.07311725 0.20500592 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17980-47-1 87391 144211714 F F Triethoxy(2-methylpropyl)silane CCO[Si](OCC)(OCC)CC(C)C Tox21_301397 -NCGC00255781-01 196711020 tox21-ror-cho-viability-p1 set2 4 0.3857077887 8.0782580919 -9.0782580919 -1 0.9999999999 0.6488549228 0.0653451606 -5.89579102 -8.89831054 -14.64854841 -7.6020432 -9.66510579 -4.47385103 -5.72666415 -9.32273133 -1.94535433 -2.20949722 -1.86788905 -1.04562096 0.78536355 -3.46332843 -1.50242295 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1131-18-6 70801 144212262 A A 3-Methyl-1-phenyl-1H-pyrazol-5-amine Nc2cc(C)nn2c1ccccc1 Tox21_301945 -NCGC00255252-01 196711025 tox21-ror-cho-viability-p1 set2 4 2.56184962 -0.71187946 0.7167923 0.84667493 -0.43464558 -0.25386876 1.11643299 0.94320018 0.54916463 -0.66203899 1.67623114 0.15204793 0.39761125 -0.06348466 6.27715017 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76963-41-2 4513 144211911 A F Nizatidine CN(C)Cc1nc(CSCCNC(=C[N+]([O-])=O)NC)cs1 Tox21_301594 -NCGC00255321-01 196711026 tox21-ror-cho-viability-p1 set2 4 48.5577336745 -8.590817008 1.5 -7.090817008 3.9294729863 0.7002429188 0.0393097634 5.12832479 1.1648972 2.99479954 1.27973417 2.2745573 2.55303136 0.29260543 0.29793851 -0.68071728 2.01203336 0.41333699 0.48636424 1.80917344 -1.63883997 -6.32568084 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 566-48-3 11273 144212603 A A 4-Hydroxyandrostenedione O=C2CC[C@H]3[C@@H]4CCC1=C(O)C(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_302286 -NCGC00255732-01 196711028 tox21-ror-cho-viability-p1 set2 4 -10.03913029 -1.16686652 -3.37252217 -1.95511688 -1.3427263 0.02925779 -0.10743143 -4.14044849 0.60299375 -0.5780819 -6.47012169 -3.74853037 -1.83195184 -0.58494666 0.58960683 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 138-22-7 8738 144211666 A A Butyl lactate OC(C)C(=O)OCCCC Tox21_301349 -NCGC00255154-01 196711031 tox21-ror-cho-viability-p1 set2 4 0.1535530364 4.1005517879 -3.6005517879 0.5 3.1319983358 0.4227646658 0.2699486571 -4.2577623 -3.94600912 2.35667479 -5.46120831 -8.41712649 -2.2489327 -1.87295254 0.67076763 1.60689117 1.76284525 1.23642907 -2.13910987 -1.25377812 1.980838 -2.84209101 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1745-81-9 15624 144212373 A A 2-Allylphenol Oc1ccccc1CC=C Tox21_302056 -NCGC00255811-01 196711038 tox21-ror-cho-viability-p1 set2 -2.1 61.130564862 -94.2807252093 -0.629075021 -94.9098002303 3.2474983358 0.9972853229 0 0.1716332 0.27052213 -2.04031317 0.98029549 0.05452541 -0.28006937 0.10713912 -1.96372994 0.37744139 -1.58016332 -0.13777802 -1.84897031 -4.02375061 -21.46805873 -75.31045472 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4422-95-1 78138 144212497 F F 1,3,5-Benzenetricarbonyl trichloride O=C(Cl)c1cc(cc(c1)C(Cl)=O)C(Cl)=O Tox21_302180 -NCGC00257136-01 196707312 tox21-ror-cho-viability-p1 set1 4 68.5896218971 7.0733127119 -0.0733127119 7 4.5044702849 0.3552991314 0.3213113315 1.47675001 -5.89442726 -0.05489123 0.44104562 1.8694819 1.89008249 -0.09002257 -1.89550251 0 1.00650304 -0.99018718 1.93715651 -0.03519089 0.58087223 5.51388647 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 460-00-4 9993 144213622 F Fns 1-Bromo-4-fluorobenzene Fc1ccc(Br)cc1 Tox21_303305 -NCGC00258857-01 196706889 tox21-ror-cho-viability-p1 set1 -2.1 48.5083571201 -83.3542107032 -6.548025054 -89.9022357572 2.7202212143 0.9314451815 0.0000459832 -9.02216586 -6.02070865 -10.78744794 -10.18564598 -7.651605 -3.43032344 -6.4243472 -9.12754069 -3.79518841 -9.92623798 2.52401133 -15.39990545 0.81165459 -40.46253347 -77.95623921 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.00001842 0.0000412 0.00009212 87-56-9 2771871 144208503 A F (2Z)-2,3-Dichloro-4-oxobut-2-enoic acid O=CC(\Cl)=C(\Cl)C(=O)O Tox21_201305 -NCGC00090702-02 196706893 tox21-ror-cho-viability-p1 set1 4 1.95777829 -4.4274646 -0.35486764 3.50407375 3.1033695 -4.39889176 -0.0968375 0.83079501 -12.44680516 6.15747999 0.34907717 -0.19382946 3.81975459 -0.2351898 2.86507631 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00259362-01 196722143 tox21-ror-cho-viability-p1 set3 4 35.2169535402 9.2032954359 -5.2032954359 4 4.5044702849 0.7564541933 0.0180740927 -6.81880806 -6.56701067 -6.83607953 -0.83413451 -3.84980959 -4.26671265 -5.27369157 -5.88014192 -5.70554512 -4.35335378 -4.19122484 -4.77799402 -4.95454041 0.80633714 3.99396502 1.204E-9 2.693E-9 6.021E-9 1.346E-8 3.011E-8 6.732E-8 1.5049999999E-7 3.366E-7 7.527E-7 0.000001683 0.000003763 0.0000084149999999 0.00001882 0.00004208 0.00009408 121-69-7 949 144209011 AC Bc N,N-Dimethylaniline CN(C)c1ccccc1 Tox21_201813 -NCGC00258915-01 196721339 tox21-ror-cho-viability-p1 set3 4 34.4461724824 20.189031256 -4.189031256 16 0.5999999999 0.7590953723 0.017015464 -3.03076469 -2.18975683 -9.74085938 -2.09537125 -4.26802873 -4.85322115 -2.09557423 -1.8271288 -1.81587034 0.88124017 -0.40828694 2.69481284 -0.87616648 7.1944377 10.55674034 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.61E-8 1.4779999999E-7 3.305E-7 7.3899999999E-7 0.0000016519999999 0.0000036949999999 0.000008262 0.000018469999999 0.00004131 0.00009237 126-30-7 31344 144208561 B A 2,2-Dimethylpropane-1,3-diol CC(C)(CO)CO Tox21_201363 -NCGC00259012-01 196721728 tox21-ror-cho-viability-p1 set3 4 37.7876241545 10.770073104 -4.270073104 6.5 3.1319983358 0.5862830397 0.1080652197 -4.34245929 -5.16569573 -5.17263806 -0.42006872 -3.74774745 -4.43710837 -6.28743104 -5.78290565 -6.19482887 2.01749931 -6.0186947 -2.17865498 -6.47506092 2.51492934 5.71904501 1.16E-9 2.5929999999E-9 5.799E-9 1.297E-8 2.8989999999E-8 6.4829999999E-8 1.45E-7 3.2419999999E-7 7.2489999999E-7 0.000001621 0.000003624 0.0000081039999999 0.00001812 0.00004052 0.00009061 110-05-4 8033 144208659 FNS Di-tert-butyl peroxide CC(C)(C)OOC(C)(C)C Tox21_201461 -NCGC00259066-01 196722132 tox21-ror-cho-viability-p1 set3 4 -7.23917665 0.29087988 -2.3690878 -3.48413147 -5.27444817 -6.61250254 -6.12905866 -4.32057507 -6.41199987 -1.54866799 -7.3094203 -4.04689516 -8.77226341 -3.99677942 -11.92889014 1.19E-9 2.6619999999E-9 5.9519999999E-9 1.331E-8 2.976E-8 6.655E-8 1.4879999999E-7 3.3269999999E-7 7.44E-7 0.0000016639999999 0.00000372 0.0000083179999999 0.0000186 0.00004159 0.000093 2164-09-2 16560 144208714 A A Chloranocryl Clc1ccc(NC(=O)C(=C)C)cc1Cl Tox21_201516 -NCGC00090708-05 196722145 tox21-ror-cho-viability-p1 set3 -2.4 6.8589621897 -24.652623084 -3.6061636559 -28.2587867399 3.9899729863 0.9676650586 0.0000022267 -6.78531683 -2.98316562 -2.55995068 -5.61729893 -0.50513638 -5.22859038 -4.62370429 -2.59369435 -2.15527588 -1.84084838 -4.27912666 -21.42068942 -28.54898895 -27.34526151 -10.87028967 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00259470-01 196722146 tox21-ror-cho-viability-p1 set3 4 40.0265993297 19.90381086 -11.90381086 8 1.6266150999 0.5014498259 0.1771022094 -14.2932607 -7.38796154 -11.20017683 -1.86855043 -14.78208415 -16.95170116 -18.56971278 -19.08650905 -10.62458766 -7.95625618 -5.96531586 -10.42636892 -12.02711878 0.71292543 4.26067625 1.2169999999E-9 2.7209999999E-9 6.083E-9 1.36E-8 3.042E-8 6.801E-8 1.521E-7 3.401E-7 7.604E-7 0.0000016999999999 0.0000038019999999 0.000008502 0.00001901 0.00004251 0.000095049999999 115-77-5 8285 144209119 A Ac Pentaerythritol OCC(CO)(CO)CO Tox21_201921 -NCGC00091071-08 196722538 tox21-ror-cho-viability-p1 set3 4 1.0590929458 6.835634924 -2.335634924 4.5 4.9549173134 0.4137026874 0.2593369389 4.25122554 1.30101164 0.59750687 -0.28334776 -4.10486381 -6.52969577 -4.86092689 -5.20378458 -5.72775723 -3.22879308 9.1042201 1.88627404 3.35645986 -1.26009036 9.85258575 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-29-3 3036 170465529 F p,p'-DDT Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl Tox21_111076_1 -NCGC00165973-02 196718031 tox21-ror-cho-viability-p1 set2 4 1.26337231 -0.78390986 1.87684045 4.6156279 4.15717384 5.01819146 8.60515585 5.13977594 4.98294578 5.00148894 3.59139382 4.37912082 0.649508 0.77148333 1.90951165 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 96-27-5 7291 170466830 F 1-Thioglycerol OCC(O)CS Tox21_112276_1 -NCGC00164077-02 196717622 tox21-ror-cho-viability-p1 set2 4 -3.9316913 -3.04820415 0.91997435 2.13759936 -4.96775608 -2.1003227 -2.14024699 -2.16927545 -2.94697848 -1.44699866 -1.59910512 -0.80373962 -1.07117906 -1.11928016 -4.39313624 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00091657-02 196718025 tox21-ror-cho-viability-p1 set2 4 0.89374408 0.35601011 1.24321127 -0.58594749 5.13021405 0.67446334 -0.86022341 -4.82870749 -0.71179171 2.54011902 1.5420714 0.77826533 0.23553073 1.58201041 3.80347814 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00159395-04 196718027 tox21-ror-cho-viability-p1 set2 4 -0.97128683 -0.52948918 0.06356743 -1.21589112 1.56329445 -5.36977378 0.69220188 0.61210942 1.56825026 -3.64399441 -2.43700167 -2.14776903 -2.40356783 -2.35963404 0.00678605 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103-03-7 61002 170466385 C Phenicarbazide NC(=O)NNc1ccccc1 Tox21_111632_1 -NCGC00164543-02 196718033 tox21-ror-cho-viability-p1 set2 -2.4 33.4914596268 -27.7019603239 -1 -28.7019603239 4.9549173134 0.8058992215 0.0070365484 -1.06602363 1.78935711 -3.46326332 4.18428675 -2.8522704 -7.53847817 -4.12927969 -0.32342489 -1.19856866 2.75034056 -0.04272611 -2.65525838 0.26457697 -3.7135061 -23.91830027 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 101477-54-7 122125 170466010 A Lomerizine dihydrochloride Cl.Cl.Fc1ccc(cc1)C(c2ccc(F)cc2)N3CCN(CC3)Cc4ccc(OC)c(OC)c4OC Tox21_112172_1 -NCGC00257437-01 196718437 tox21-ror-cho-viability-p1 set2 4 2.39271362 2.7364812 0.69796245 2.46570894 2.84549585 4.20323703 2.53107715 4.57336319 4.97016159 4.13037076 7.487126 4.42142814 1.12471622 1.12429314 1.99361275 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24800-44-0 22833317 144213841 F Tripropylene glycol OC(OC(C)COC(O)CC)CC Tox21_303535 -NCGC00257370-01 196727608 tox21-ror-cho-viability-p1 set3 4 -0.0037777 0.59653779 -4.77520204 -0.19390537 0.2218328 -0.81100021 1.11558557 -0.05292818 0.17208722 2.53944254 3.74499233 1.63286338 0.77859471 0.46850111 0.68623988 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-50-1 7610 144213838 A A 4-Methoxy-2-methylaniline Nc1ccc(OC)cc1C Tox21_303531 -NCGC00256558-01 196727587 tox21-ror-cho-viability-p1 set3 4 3.80728216 0.3598527 -0.78163958 -0.98483462 -5.62030661 1.74866591 -9.3978339 0.91741658 -0.89142588 -0.9460449 1.0874195 6.42009999 1.22601079 1.96964604 0.68115199 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.331E-7 7.447E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004163 0.00009309 123-07-9 31242 144213303 A A 4-Ethylphenol CCc1ccc(O)cc1 Tox21_302986 -NCGC00257330-01 196727602 tox21-ror-cho-viability-p1 set3 4 56.6392608217 -17.33868908 3 -14.33868908 3.6772481694 0.7112939726 0.0336136001 4.92512038 -0.04651499 5.09054342 0.03918352 4.56648496 4.71818018 0.51526202 5.76370367 0.2445947 5.3969285 5.4185912 2.60843473 0.88085078 0.76582635 -10.2822409 1.0059999999E-9 2.248E-9 5.028E-9 1.124E-8 2.514E-8 5.621E-8 1.257E-7 2.811E-7 6.2849999999E-7 0.0000014049999999 0.0000031419999999 0.000007027 0.00001571 0.00003513 0.00007856 91465-08-6 6440554 144213734 A A lambda-Cyhalothrin Cl\C(=C/[C@H]3[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc1ccccc1)c2)C3(C)C)C(F)(F)F Tox21_303423 -NCGC00256550-01 196727603 tox21-ror-cho-viability-p1 set3 4 2.73561831 0.79322722 1.43199082 2.84996436 0.0808849 0.1161113 1.21954144 0.72929916 0.24990568 -0.69125086 0.67091865 2.34813171 -0.76648597 2.13269794 0.8325942 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13171-21-6 25750 144213165 A Ac Phosphamidon COP(=O)(OC)OC(C)=C(Cl)C(=O)N(CC)CC Tox21_302848 -NCGC00256052-01 196728005 tox21-ror-cho-viability-p1 set3 4 0 2.36892773 3.49815281 -2.83567171 0.37202003 -1.2916597 1.73713459 3.59950256 -0.73167648 2.26241568 4.01417098 -1.16939665 -3.1011356 -0.63346038 0.71046464 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17980-47-1 87391 144211714 F F Triethoxy(2-methylpropyl)silane CCO[Si](OCC)(OCC)CC(C)C Tox21_301397 -NCGC00095209-06 196697886 tox21-ror-cho-viability-p1 set1 4 -2.81289027 -0.40164656 -2.57544389 -2.17109435 -0.03272226 -3.78904232 -2.72076377 -3.23579104 -3.22646986 0.02143139 -1.02078345 -1.16451735 -3.09401461 -1.39957974 -1.94300232 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 482-44-0 10212 170466682 A Imperatorin C/C(C)=C\COc1c3occc3cc2C=CC(=O)Oc12 Tox21_113179_1 -NCGC00183024-01 196697865 tox21-ror-cho-viability-p1 set1 4 26.6032120037 -25.4334854719 3 -22.4334854719 3.6772481694 0.9218551119 0.0000922008 2.64466752 4.99557225 0.30138086 2.12715777 3.33311389 4.73347724 4.86364107 5.75350587 3.42438186 0.66907147 0.64251548 1.73829451 0.90973396 -4.05570023 -19.52790456 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57132-53-3 4921 144206876 A A Proglumetacin CCCN(CCC)C(=O)C(NC(=O)c1ccccc1)CCC(=O)OCCCN5CCN(CCOC(=O)Cc4c2cc(OC)ccc2n(C(=O)c3ccc(Cl)cc3)c4C)CC5 Tox21_113325 -NCGC00016101-10 196697869 tox21-ror-cho-viability-p1 set1 4 -2.37175246 -4.24686573 -2.86250951 0.67992678 -1.94239614 0.04540193 -0.00368613 2.87221648 -1.83212708 1.18174864 1.96644429 -2.1792881 1.45907519 -0.17562334 -1.18243188 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1218-35-5 5282386 170465470 A Xylometazoline hydrochloride Cl.CC(C)(C)c2cc(C)c(CC1=NCCN1)c(C)c2 Tox21_110305_1 -NCGC00015243-10 196697880 tox21-ror-cho-viability-p1 set1 4 -0.99830004 0.35353098 0.3981318 0.88914863 0.46833272 -1.83716663 0.69401023 3.1698624 -0.41775015 0.34162046 -0.25458248 0.67128332 -0.94056212 4.39254104 -0.47812434 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1163-36-6 5309446 170465924 A Clemizole hydrochloride Cl.Clc1ccc(cc1)Cn3c4ccccc4nc3CN2CCCC2 Tox21_110108_1 -NCGC00262911-01 196698284 tox21-ror-cho-viability-p1 set1 4 1.43696299 0.19364868 -0.54250773 -0.09016945 3.3475484 -0.52476189 -2.27623801 2.59434725 -2.94265835 1.74287656 0.79403253 5.51790787 2.16789693 0.0281881 -3.86127632 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 979-02-2 92855 170466719 F A Dehydropregnenolone acetate CC(=O)C4=CC[C@@H]3[C@]4(C)CC[C@H]2[C@H]3CC=C1C[C@H](CC[C@@]12C)OC(C)=O Tox21_113909 -NCGC00091351-03 196698696 tox21-ror-cho-viability-p1 set1 4 1.36343038 -0.97996534 4.52178476 1.67796677 1.95903462 -2.31227296 -0.12231853 3.53911724 3.82673697 2.36080776 -1.45157771 3.72464798 0.55119223 -1.92428533 1.00766071 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00254909-01 196698703 tox21-ror-cho-viability-p1 set1 4 -3.66257359 0.69949388 -4.27638775 0.50116308 -5.53069231 -4.36821636 -3.14251139 -9.02224499 -0.98677684 0.88066813 -4.35816917 -0.06229864 0.58812785 -0.19316136 -0.22605155 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 114311-32-9 86137 144211324 A A Imazamox CC1(N=C(NC1=O)c2ncc(COC)cc2C(=O)O)C(C)C Tox21_301007 -NCGC00254054-01 196698704 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -10.191728276 -1 -11.191728276 4.4494702849 0.4055988237 0.2704131616 0.29930251 -0.9062041 -2.18424904 -0.93332415 -6.51798116 0.22202877 3.95815789 0.43680987 -1.72591045 -3.35668448 0.53432229 -1.22479285 -1.05862427 -1.27752565 -8.07644023 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26628-22-8 33557 144210344 Sodium azide [Na+].[N-]=[N+]=[N-] Tox21_300024 -NCGC00254860-01 196698708 tox21-ror-cho-viability-p1 set1 4 -1.33322259 -2.37863853 -2.00483483 1.19356108 1.22045093 -0.0735957 2.41610534 -5.7496394 0.97417573 -0.71091851 0.14920079 -1.35516493 6.09124619 -2.7070086 3.85790473 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81777-89-1 54778 144211275 A A Clomazone Clc2ccccc2CN1OCC(C)(C)C1=O Tox21_300958 -NCGC00090750-04 196699986 tox21-ror-cho-viability-p1 set1 4 61.130564862 -28.263910848 2 -26.263910848 0.3 0.4345516789 0.2388009386 2.13977006 2.21361847 1.1195705 -1.12629812 -0.54500822 -8.17767154 1.08735385 1.90933802 -11.4980967 -9.48467098 0.26916763 2.00163018 -18.55325904 -10.37355236 -13.72425662 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00254524-01 196699978 tox21-ror-cho-viability-p1 set1 -1.1 13.6854287769 -103.5028986517 -1.5001990559 -105.0030977076 0.9999999999 0.9662529994 9.439E-7 -1.88739451 -0.76147735 -3.30689848 -1.79323123 -2.11013215 -3.43294656 -1.32690612 -1.83867855 -4.59804861 -7.50014564 -32.62597455 -42.16835412 -47.70406161 -91.62573971 -87.69320698 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 548-62-9 11057 144210888 A A Gentian Violet [Cl-].C/[N+](C)=C1\C=C\C(C=C1)=C(/c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C Tox21_300571 -NCGC00095129-06 196712689 tox21-ror-cho-viability-p1 set2 4 2.12292128 1.92989433 -1.66198624 -0.50982904 -0.25905985 -1.87273772 -0.03983656 2.96044787 -1.13098455 3.50542198 0.04400465 0.02756869 1.69768223 -1.33666153 1.02083083 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 181695-72-7 119607 170465163 A Valdecoxib NS(=O)(=O)c1ccc(cc1)c3c(C)onc3c2ccccc2 Tox21_111438_1 -NCGC00260392-01 196711855 tox21-ror-cho-viability-p1 set2 2.4 68.938530308 27.561029724 1.938970276 29.5 3.5117481694 0.9154350023 0.0001390421 2.64657622 0.37565364 1.59390313 0.51263948 3.38995257 -0.46752477 2.79305076 3.46497633 4.16193257 1.56814908 1.66354494 1.33078442 5.81573641 5.25737062 22.31181613 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.626E-8 1.482E-7 3.3129999999E-7 7.408E-7 0.000001656 0.000003704 0.000008282 0.00001852 0.000041409999999 0.000092599999999 55-48-1 60196398 144210044 A A Atropine sulfate anhydrous (2:1) salt CN3[C@@H]1CC[C@H]3C[C@H](C1)OC(=O)C(CO)c2ccccc2.O=S(=O)(O)O.OCC(c1ccccc1)C(=O)O[C@H]2C[C@H]3CC[C@@H](C2)N3C Tox21_202846 -NCGC00357027-01 196712270 tox21-ror-cho-viability-p1 set2 4 38.5707788719 18.325997372 0.674002628 19 0.7 0.7850844794 0.0108213004 -3.60499781 0.59436745 2.60678085 -0.12129039 2.64737227 0.6262628 0.56808913 0.65740702 0.98948483 4.890943 6.52568562 3.98995937 4.71687358 8.60942501 15.34118461 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67-71-0 6213 251919780 A Dimethyl sulfone CS(C)(=O)=O Tox21_303712 -NCGC00260494-01 196712278 tox21-ror-cho-viability-p1 set2 -2.4 60.7577547203 -36.840565524 3.5 -33.340565524 2.5884283767 0.8440288075 0.0026949562 2.18565254 -4.26535526 3.54754524 7.95389158 2.29443214 0.42585235 3.14073065 7.62787493 6.82217813 0.31034751 5.05924905 5.63005444 0.35667652 -6.40793305 -24.45047127 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.282E-7 7.34E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.00009175 84-79-7 3884 144210146 A B Lapachol C/C(C)=C\CC=2C(=O)c1ccccc1C(=O)C=2O Tox21_202948 -NCGC00021301-06 196712691 tox21-ror-cho-viability-p1 set2 4 -1.79005481 -0.56993626 -1.16878662 -3.67053409 1.36266627 2.46412283 -4.61770928 -4.54624443 -0.03469401 -2.04382266 -0.02841202 -1.8710806 0.80518386 2.0311613 -2.53498576 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67-73-2 6215 170464630 A Fluocinolone acetonide OCC(=O)[C@]45OC(C)(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3C[C@H](F)C1=CC(=O)C=C[C@@]12C Tox21_110869_1 -NCGC00015908-09 196712704 tox21-ror-cho-viability-p1 set2 4 -6.34853352 -1.3548957 -6.35464192 -4.19434382 -3.61453772 -4.99154672 -2.6582433 -4.97941982 -4.79105879 -2.86138425 -0.80143114 -2.70304329 -2.47528088 -1.50337589 -4.04537803 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1054-88-2 5268 170466264 A Spiroxatrine O=C5NCN(c1ccccc1)C25CCN(CC2)CC3COc4ccccc4O3 Tox21_110260_1 -NCGC00164449-04 196713109 tox21-ror-cho-viability-p1 set2 4 54.4826732819 -12.950842124 3.5 -9.450842124 3.9899729863 0.4801925224 0.1973824786 8.75499455 8.2123529 5.37049724 -0.04692349 0.58408248 7.35829723 0.36015507 0.94223367 1.85721696 4.97453815 1.05698664 -0.25512981 5.79331566 -0.10298113 -7.87570177 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00021222-06 196713112 tox21-ror-cho-viability-p1 set2 4 -0.45343959 0.66304484 0.31750762 -2.94926462 -3.98965663 -0.03610572 0.14799532 -2.56904126 -2.78728636 0.78045139 -0.48235126 0.03520172 0.64030954 -0.10719286 0.45158889 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 152-58-9 440707 170466572 A Cortodoxone OCC(=O)[C@@]3(O)CC[C@H]2[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_110867_1 -NCGC00257503-01 196708144 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -82.6827372492 -0.892271323 -83.5750085722 4.9549173134 0.9977076689 0 0.35032447 -1.15395088 -0.33056641 -1.24170262 -1.47377396 -1.06205688 -1.19986181 -1.34308144 -1.71798718 -0.97231561 -1.47715291 1.00603976 0.47829546 -6.89920214 -67.91667347 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1219-38-1 14642 144213741 A A Octylparaben Oc1ccc(cc1)C(=O)OCCCCCCCC Tox21_303430 -NCGC00256647-01 196708141 tox21-ror-cho-viability-p1 set1 -2.2 54.4826732819 -57.7407426188 -1.399442494 -59.1401851128 1.6266150999 0.8785882103 0.0008341652 0.54107575 -0.07926592 -8.84400508 0.35386082 0.19076148 1.84204364 4.1912544 1.3368145 0.02040387 -9.78263034 0.71094929 -11.67221158 -9.2589608 -20.58569635 -44.80317054 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 5174-32-3 21619272 144212881 F A 2-Acetoxy-5-nitrobenzyl chloride O=C(C)Oc1ccc(cc1CCl)[N+]([O-])=O Tox21_302564 -NCGC00256953-01 196708142 tox21-ror-cho-viability-p1 set1 4 0.21754644 -14.60523275 1.82965043 -7.17391678 -10.54080539 -6.33925287 -6.35810652 0.3750842 -11.9781013 -1.6441525 -0.23361518 3.97592792 -11.94733437 0.83566535 1.19008834 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 552-30-7 11089 144213434 Z A Trimellitic anhydride O=C(O)c1ccc2C(=O)OC(=O)c2c1 Tox21_303117 -NCGC00256644-01 196708143 tox21-ror-cho-viability-p1 set1 4 -6.61394263 -6.81440258 -4.80421415 1.17787234 3.63519891 -4.66741855 -0.89434866 -6.38442518 0.28362902 -2.70144893 0.97286313 -6.95957114 -2.99537815 2.23713177 3.41553249 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7785-33-3 5367785 144212809 A Ac Geranyl tiglate C\C(C)=C\CCC(\C)=C\COC(=O)C(\C)=C\C Tox21_302492 -NCGC00253690-01 196722975 tox21-ror-cho-viability-p1 set3 2.1 13.3331902297 70.3019691135 -1.506456862 68.7955122515 1.111 0.9535391591 0.0000056161 -2.10254827 -0.88498383 -2.38043411 -3.65830166 0.00878051 -0.02032125 -0.30387739 -0.02104365 -4.24347443 3.04056369 5.3188228 19.35113152 27.94915216 32.87162046 64.04227649 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7303-78-8 23728 170466590 A F Imidoline CN(C)CCN1CCN(C1=O)c2cccc(Cl)c2 Tox21_113812 -NCGC00090708-05 196722959 tox21-ror-cho-viability-p1 set3 -1.1 2.4336516212 -57.439879206 0.1681116019 -57.2717676041 4.5044702849 0.9833234077 1.65E-8 0.40113996 3.3156337 2.45092232 3.72627398 -0.67286215 -2.71332494 -5.02708089 -4.36946317 6.28773927 -8.57631666 -50.50291149 -56.35059919 -57.08386358 -62.03114471 -52.32383749 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00018139-05 196722967 tox21-ror-cho-viability-p1 set3 4 -13.85168858 0 0 -16.41871588 -4.2945623 -0.72077575 -0.41663788 0 -1.59970138 -0.85772602 -1.55080409 -2.68144402 -10.08100556 -8.52515867 -6.15400329 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35212-22-7 3747 170465997 A Ipriflavone CC(C)Oc1ccc2c(c1)OC=C(C2=O)c3ccccc3 Tox21_113172_1 -NCGC00247729-01 196722969 tox21-ror-cho-viability-p1 set3 4 3.452826257 23.337060256 -6.837060256 16.5 0.9999999999 0.5422821411 0.1414856958 -1.84336976 0 -12.03346759 -13.83027383 -0.37138608 0 -14.86421688 -13.83725551 -3.12245108 15.58394692 -9.15272545 13.61808896 14.15461363 9.58558156 18.14943683 1.0759999999E-9 2.406E-9 5.38E-9 1.203E-8 2.69E-8 6.015E-8 1.345E-7 3.007E-7 6.724E-7 0.000001504 0.0000033619999999 0.000007518 0.000016809999999 0.00003759 0.00008406 1095-90-5 14184 144206448 A F Methadone hydrochloride Cl.CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2 Tox21_112895 -NCGC00178043-05 196723373 tox21-ror-cho-viability-p1 set3 4 0.5308038637 -6.442528524 1 -5.442528524 3.1319983358 0.3195208125 0.3645982534 -3.30482066 -3.75637438 9.74348228 -4.78176061 5.80030256 -5.01130256 4.87469353 4.57535748 -1.06899253 -3.76498568 -5.4111858 -9.11877377 -3.99065338 -3.76888318 11.96034566 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 543-15-7 10969 170466504 Z Heptaminol hydrochloride Cl.CC(C)(O)CCCC(N)C Tox21_111391_1 -NCGC00163843-03 196723374 tox21-ror-cho-viability-p1 set3 4 2.13498107 -3.43731497 -0.80988344 3.93499404 -3.16338934 -2.23489137 -2.49822787 0.68991331 -3.03891013 -8.23371415 -11.26445212 -6.84788649 6.00672962 -6.99533153 3.00657128 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00094887-05 196723378 tox21-ror-cho-viability-p1 set3 4 1.4960085492 -8.892060376 -0.5 -9.392060376 3.9294729863 0.4142691566 0.2751877028 -2.23180006 9.64009357 -5.95595687 -3.02167943 -0.07323806 -1.85804889 -2.85220693 -3.39679854 -1.21707905 7.51930819 -9.39121566 -12.82671698 -8.97627875 -4.98742585 6.79852519 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71720-56-4 6604557 170465299 A Fenoprofen calcium salt dihydrate [Ca+2].O.O.[O-]C(=O)[C@@H](C)c2cc(Oc1ccccc1)ccc2.[O-]C(=O)[C@@H](C)c2cc(Oc1ccccc1)ccc2 Tox21_110785_1 -NCGC00160640-03 196723390 tox21-ror-cho-viability-p1 set3 4 7.15323654 2.16090299 6.89729677 11.13623824 -1.9375872 1.12678602 -3.00405983 -0.056259 8.49618209 7.2387183 -2.19402601 3.58857449 5.44579587 9.08369719 11.34635209 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84379-13-5 107926 170466570 A Bretazenil CC(C)(C)OC(=O)c1ncn3c1[C@@H]4CCCN4C(=O)c2c3cccc2Br Tox21_111947_1 -NCGC00091380-04 196719709 tox21-ror-cho-viability-p1 set3 4 13.6854287769 -11 14.5 3.5 4.4494702849 0.3792162355 0.2917341885 12.80072421 23.0814011 6.82634326 15.16867054 10.49594928 24.20271851 8.82985638 20.18509217 12.89542721 9.23206954 9.25402905 19.63874479 2.72502259 4.04283603 4.32417769 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00256481-01 196719303 tox21-ror-cho-viability-p1 set2 4 3.28007106 -1.1434991 -1.97159488 2.33668128 -1.78869867 1.71479543 -1.55177896 4.61546609 3.33038438 -1.84373037 -2.91135174 6.20091356 1.92363689 2.1165708 -0.81215612 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-67-0 8815 144213247 A Ac Estragole COc1ccc(CC=C)cc1 Tox21_302930 -NCGC00254806-01 196719705 tox21-ror-cho-viability-p1 set3 4 9.55110247 7.36474062 -0.31771692 10.94017608 9.82633393 5.71059147 -3.37927939 -4.99827892 -0.89198238 7.42185495 2.6245009 1.03959433 13.51761861 5.97825949 0 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-42-8 7560 144211219 A A Fenuron O=C(Nc1ccccc1)N(C)C Tox21_300902 -NCGC00254667-01 196719707 tox21-ror-cho-viability-p1 set3 4 -0.98328737 10.24882585 -6.56343679 0.47671857 -0.25578733 0.05362295 -0.73427486 -1.00781995 -2.77000208 0.06537006 -0.88272393 -0.14301032 -0.62042801 -1.65144057 0.56979998 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57754-85-5 162839 144211080 A A Clopyralid-olamine Clc1ccc(Cl)nc1C(=O)O.NCCO Tox21_300763 -NCGC00260593-01 196724206 tox21-ror-cho-viability-p1 set3 4 33.4914596268 20.3144619999 -2.3144619999 18 1.0999999999 0.4760632998 0.2005701574 -5.34279864 1.23983565 -6.02034416 -3.40465991 2.36828059 -12.345385 -2.55992194 0.95135517 0.07333813 1.46266459 1.36376216 -1.72275515 1.02076797 3.00358618 11.66748466 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49489 144210246 M M NTP Mix49 CT1 3-EQP Tox21_203048 -NCGC00356951-01 196724219 tox21-ror-cho-viability-p1 set3 4 0.76174181 4.0293554 6.4715812 3.49642621 5.4755031 3.44360102 -0.32421577 0.41026048 -0.29689986 3.7491695 -2.61422317 -1.00335365 -1.21003854 -3.16312753 10.52696057 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17321-47-0 87048 251919693 A O,O-Dimethyl phosphoramidothioate NP(=S)(OC)OC Tox21_303881 -NCGC00257544-01 196728853 tox21-ror-cho-viability-p1 set3 -1.2 5.4482673282 -27.23323815 4 -23.23323815 3.0654483358 0.8741778554 0.0009897734 0.54329058 1.93219118 12.85944565 4.02456582 0.90739476 3.01755556 2.09907612 0.5587714 10.54229549 2.95026408 -1.82384434 -18.34767603 -17.42809156 -30.80512728 -19.13636976 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7553-56-2 807 144211611 Iodine II Tox21_301294 -NCGC00091643-08 196728433 tox21-ror-cho-viability-p1 set3 -2.4 27.3060203028 -27.7906019759 -2 -29.7906019759 4.0949729863 0.8938386519 0.0004342138 -1.61012097 4.4645659 -4.96449062 0.40094965 -3.62544356 -2.0827265 3.00574351 -2.76147812 -3.74603146 -6.29254986 -6.52577479 0.13425104 -7.30204909 -25.3274561 -29.40883498 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00255638-01 196728441 tox21-ror-cho-viability-p1 set3 4 3.4376242854 8.8566349879 -0.8566349879 8 1.826479391 0.7234372678 0.0362604832 2.56124283 -3.06269175 -1.99366071 0.51621573 -3.21386249 -0.91895946 3.00906527 -2.99419251 1.96023816 -1.50615231 4.37908395 7.6814344 7.10176153 7.67527659 2.86719534 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52304-36-6 104150 144212089 A A Ethyl 3-(N-butylacetamido)propionate O=C(CCN(CCCC)C(C)=O)OCC Tox21_301772 -NCGC00253973-01 196699549 tox21-ror-cho-viability-p1 set1 4 0.63874919 -0.30859943 1.09638582 -2.73716706 -0.42266824 -1.54565739 -1.76742044 -0.75177169 0.05033009 0.50988551 -0.74194717 0.74903587 0.49087845 1.41311838 -6.64290087 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 115-28-6 8266 144210510 A A Chlorendic acid ClC2(Cl)C1(Cl)C(Cl)=C(Cl)C2(Cl)C(C1C(=O)O)C(=O)O Tox21_300190 -NCGC00254859-01 196699137 tox21-ror-cho-viability-p1 set1 4 0.0611305649 4.3676755079 -3.3676755079 1 4.9549173134 0.4613356972 0.2168553706 -5.63498707 -0.79122894 -7.38972959 1.42145459 -5.13472019 -0.79035851 1.152718 -0.73788518 1.11286188 -0.18658678 0.79185507 0.14538477 3.90977126 0.8589873 0.00647124 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67-68-5 679 144211274 A A Dimethyl sulfoxide CS(C)=O Tox21_300957 -NCGC00254286-01 196699537 tox21-ror-cho-viability-p1 set1 4 -0.44840595 -0.28917318 -7.14550461 0.7087302 0.91273035 0.66987147 1.15108271 1.36638405 -0.50056039 2.5338133 2.3000639 0.41332159 -4.01567285 0.08000248 0.96639535 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 36653-82-4 2682 144210643 A Ac 1-Hexadecanol CCCCCCCCCCCCCCCCO Tox21_300325 -NCGC00255077-01 196699539 tox21-ror-cho-viability-p1 set1 4 -1.79749061 0.80906325 -2.70973441 0.74152911 0.13117933 -2.28542245 0.20403998 -1.00831412 -0.34472165 -2.16847985 -0.31702326 -2.94415279 1.193467 -2.97187234 1.01138868 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67747-09-5 73665 144211496 A A Prochloraz O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)CCC)n2ccnc2 Tox21_301179 -NCGC00254543-01 196699952 tox21-ror-cho-viability-p1 set1 4 61.130564862 8.717160632 -2.217160632 6.5 2.9522712143 0.395444468 0.2798417068 -0.51478421 -1.96072804 -3.55009162 -4.09171865 -3.26533867 -6.09352509 0.21717284 -1.66366284 0.15546355 -1.03435525 -8.09763386 -1.43533086 0.09715588 -0.64553367 4.77881188 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6055-19-2 22420 144210847 A Ac Cyclophosphamide monohydrate O.O=P1(NCCCO1)N(CCCl)CCCl Tox21_300529 -NCGC00254103-01 196699956 tox21-ror-cho-viability-p1 set1 4 3.3619264 1.10448468 2.89467071 0.0479393 -0.59169343 3.13630693 3.54177142 3.81203609 1.13465833 -2.50276734 2.8987911 2.2450424 -0.62941729 -1.26744335 -1.80240258 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-54-7 7443 144210613 A Ac 3,4-Dichloronitrobenzene Clc1ccc(cc1Cl)[N+]([O-])=O Tox21_300293 -NCGC00254178-01 196699967 tox21-ror-cho-viability-p1 set1 4 1.8557567 -2.04032835 -0.73659435 0.28865118 0.89451604 -3.97372005 -1.05081294 -3.42476556 -3.15965252 -1.80062313 0.31457917 1.1448905 -1.12614116 -3.83053365 -1.4649917 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1948-33-0 16043 144210401 Ac Ac tert-Butylhydroquinone CC(C)(C)c1cc(O)ccc1O Tox21_300081 -NCGC00258087-01 196701652 tox21-ror-cho-viability-p1 set1 4 1.51244262 2.69899365 1.36326575 6.44940938 1.77832162 2.73855188 2.94938466 2.680912 6.88211676 -1.07346776 0.27274618 2.28351072 9.01352939 2.25515578 2.56883776 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.303E-7 7.387E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 103-82-2 999 144207731 A A Phenylacetic acid OC(=O)Cc1ccccc1 Tox21_200533 -NCGC00255174-01 196701221 tox21-ror-cho-viability-p1 set1 4 -5.83578815 2.86544577 0.4769827 -0.03007373 -6.51114178 -0.16162209 -6.13211268 1.29968451 -2.9264097 -1.80670616 2.22378776 -5.23257436 -3.8524186 -8.13789319 -1.41343456 9.143E-10 2.0439999999E-9 4.571E-9 1.022E-8 2.2859999999E-8 5.111E-8 1.143E-7 2.556E-7 5.7139999999E-7 0.0000012779999999 0.000002857 0.000006389 0.000014289999999 0.00003194 0.00007143 1762-95-4 15666 144212284 Thiocyanic acid, ammonium salt [NH4+].[S-]C#N Tox21_301967 -NCGC00255515-01 196701226 tox21-ror-cho-viability-p1 set1 4 43.2771256911 -16.040913324 -2 -18.040913324 0.8999999999 0.4628678353 0.2128501233 -2.87367069 1.0197594 1.04685143 1.50045622 -2.95830676 -1.18030212 -4.02319131 -5.50496905 -11.08344956 1.14639362 -6.50366385 0.19935511 -3.57433436 -13.36742777 -13.36435386 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87130-20-9 91742 144212232 A A Diethofencarb CCOc1cc(ccc1OCC)NC(=O)OC(C)C Tox21_301915 -NCGC00257584-01 196701647 tox21-ror-cho-viability-p1 set1 4 4.19763014 4.80743244 1.771662 2.03301006 -0.35620989 -4.2187679 -1.38958594 3.29210513 -0.2613536 -0.5727277 2.50636409 2.22452765 -0.11635733 -3.35995998 9.83823904 1.171E-9 2.6189999999E-9 5.856E-9 1.3089999999E-8 2.9279999999E-8 6.547E-8 1.464E-7 3.2729999999E-7 7.3189999999E-7 0.000001637 0.00000366 0.000008183 0.0000183 0.00004092 0.000091489999999 2935-90-2 18050 144207228 A A Methyl 3-sulfanylpropanoate O=C(OC)CCS Tox21_200030 -NCGC00258422-01 196701654 tox21-ror-cho-viability-p1 set1 4 30.5132723993 12.4308954919 -2.4308954919 10 0.4 0.4749130424 0.2033617581 0.41043116 -6.19241291 -1.5297136 -0.88107179 3.26329417 -5.78838757 -3.0378474 0.25542914 2.22061901 0.18145588 1.57579666 2.64506512 1.83366539 2.41374601 6.71740682 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.315E-8 2.9389999999E-8 6.573E-8 1.4699999999E-7 3.2859999999E-7 7.3489999999E-7 0.000001643 0.000003674 0.0000082159999999 0.00001837 0.00004108 0.000091859999999 546-80-5 261491 144208066 A A alpha-Thujone C[C@H]1C(=O)C[C@@]2(C[C@H]12)C(C)C Tox21_200868 -NCGC00258075-01 196702059 tox21-ror-cho-viability-p1 set1 4 -0.69884065 0.02522147 -0.84726086 6.66424913 5.16512256 0.78448449 6.9455213 4.26346996 6.1171738 7.31869165 3.34312362 2.72185537 5.17665733 0.78388964 4.81141552 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004124 0.00009223 719-22-2 12867 144207719 D 2,6-Bis-(1,1-dimethylethyl)-2,5-cyclohexadiene-1,4-dione CC(C)(C)C1=CC(=O)C=C(C1=O)C(C)(C)C Tox21_200521 -NCGC00090885-03 196713940 tox21-ror-cho-viability-p1 set2 4 2.11910104 1.428657 -0.17858313 0.33707893 2.0385395 4.26221493 1.67351444 1.683145 -0.26583442 3.26532959 2.16738792 4.48249021 9.26264413 4.21396031 4.78890743 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00254113-01 196713936 tox21-ror-cho-viability-p1 set2 4 -1.27238774 -0.72314722 0.91891776 -0.7881993 0.31903385 0.52998545 0.5406088 -1.02596165 0.1316831 -1.75873972 0.25972728 0.07110968 1.2662814 1.43343161 1.31385597 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-71-8 8445 144210332 A A 2-Methoxy-5-methylaniline Nc1cc(C)ccc1OC Tox21_300012 -NCGC00254711-01 196713937 tox21-ror-cho-viability-p1 set2 4 3.56782482 -0.17655134 0.01818295 0.27601967 2.5439084 -0.19171274 1.06990593 3.05095627 0.33012834 0.9530363 -0.98416199 2.79685948 2.74800361 -1.71678773 2.94518352 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7287-19-6 4929 144211124 A A Prometryn CSc1nc(NC(C)C)nc(NC(C)C)n1 Tox21_300807 -NCGC00254055-01 196713939 tox21-ror-cho-viability-p1 set2 4 0.7002087 1.3458543 4.26553957 2.42748318 -0.33927895 3.34644677 1.34732471 1.10054592 0.98771373 1.73303071 0.48693477 8.21026667 -0.49031715 0.60637935 1.68687131 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-92-9 311 144210444 A A Citric acid OC(=O)CC(O)(CC(O)=O)C(=O)O Tox21_300124 -NCGC00254864-01 196713949 tox21-ror-cho-viability-p1 set2 4 -3.85134818 0.5539275 -1.42524193 -3.93947513 -3.8163921 -9.80532083 -7.5631395 -5.48224246 -8.99068209 -8.25670457 -2.6135134 -7.49452854 -3.96965685 -0.84406755 -5.80726549 1.0029999999E-10 2.2419999999E-10 5.014E-10 1.121E-9 2.507E-9 5.606E-9 1.2529999999E-8 2.8029999999E-8 6.267E-8 1.401E-7 3.134E-7 7.0069999999E-7 0.0000015669999999 0.000003504 0.000007834 107-31-3 7865 144211279 FNS Methyl formate O=COC Tox21_300962 -NCGC00254237-01 196713951 tox21-ror-cho-viability-p1 set2 4 0.37164339 0.72814456 3.07576394 1.03470118 -0.33706614 0.83913823 0.13161919 2.30185473 0.74836006 4.31876974 -0.41392786 -12.33744299 7.575763 0.94954222 12.54927512 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-50-1 5988 144210728 A Sucrose O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O Tox21_300410 -NCGC00254687-01 196713958 tox21-ror-cho-viability-p1 set2 4 -1.43147438 -0.2661196 2.95494839 0.92525886 -0.09053903 2.37069396 1.52940995 -0.29462638 2.28801211 3.65643454 0.54187876 7.9149723 4.0741167 7.36212684 0.34316467 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-40-9 66885 144211100 A A 2,2'-[Benzene-1,3-diylbis(oxy)]diethanol OCCOc1cccc(OCCO)c1 Tox21_300783 -NCGC00259897-01 196709398 tox21-ror-cho-viability-p1 set2 -3 60.5714923824 -59.7243376146 1.921929901 -57.8024077136 3.9899729863 0.9939717439 0 2.74243125 1.93379428 3.6050325 1.81002413 1.47966294 2.3234982 1.19149063 -0.42630374 3.00811056 2.12952374 2.85751693 2.58323812 2.78490656 -8.62781576 -47.95636948 1.171E-9 2.6189999999E-9 5.856E-9 1.31E-8 2.9279999999E-8 6.5479999999E-8 1.464E-7 3.274E-7 7.3209999999E-7 0.000001637 0.00000366 0.000008185 0.0000183 0.00004092 0.00009151 50-14-6 5280793 144209546 A F Ergocalciferol C=C3CC[C@H](O)C\C3=C\C=C1/CCC[C@]2(C)[C@H](CC[C@@H]12)[C@H](C)/C=C/[C@H](C)C(C)C Tox21_202348 -NCGC00259689-01 196709385 tox21-ror-cho-viability-p1 set2 4 27.7230805233 13.5672237 -0.5672237 13 4.9549173134 0.8933654557 0.0008019037 -2.05279627 -0.50762005 -1.54868576 1.17577373 -0.70753288 1.72676922 -1.46365869 -1.20477332 -0.86299354 0.13386525 -2.55601975 -0.6415721 1.16456949 11.79695859 1.55734758 1.195E-9 2.671E-9 5.974E-9 1.336E-8 2.987E-8 6.679E-8 1.493E-7 3.3389999999E-7 7.467E-7 0.0000016699999999 0.000003733 0.000008348 0.00001867 0.00004174 0.00009334 86-73-7 6853 144209338 A A Fluorene c1cccc2Cc3ccccc3c12 Tox21_202140 -NCGC00259238-01 196709391 tox21-ror-cho-viability-p1 set2 -2.4 61.25491928 -28.36246366 1 -27.36246366 2.6384283767 0.954242794 0.0000052191 -0.1866552 0.30044936 2.93380453 1.77859784 0.5149117 -1.47406676 3.37419687 1.60862756 -0.1625477 0.10430108 1.08679502 0.19334117 -0.39449731 -6.455661 -20.30205305 1.182E-9 2.6429999999E-9 5.91E-9 1.322E-8 2.955E-8 6.608E-8 1.4779999999E-7 3.304E-7 7.388E-7 0.0000016519999999 0.0000036939999999 0.0000082599999999 0.000018469999999 0.000041299999999 0.00009235 71125-38-7 54677470 144208887 A A Meloxicam Cc3cnc(NC(=O)C2=C(O)c1ccccc1S(=O)(=O)N2C)s3 Tox21_201689 -NCGC00258807-01 196709393 tox21-ror-cho-viability-p1 set2 4 0.35967889 0.35305535 0.22906139 -1.22976618 -1.42430299 -1.78510213 -1.30107522 -0.38729695 0.1853684 1.60881088 7.1541064 -1.98414617 -0.26348056 -0.69143111 0.64831033 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.96E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 55-18-5 5921 144208453 I B N-Nitrosodiethylamine CCN(CC)N=O Tox21_201255 -NCGC00259387-01 196709403 tox21-ror-cho-viability-p1 set2 4 55.2592762104 -21.840690204 -0.5 -22.340690204 3.5117481694 0.9591134328 0.0000028063 -0.75854877 -0.56570462 3.21852562 -0.39727991 -1.35302005 -0.27028 -0.70757372 -0.55414552 -0.96521976 -0.61914742 -0.43379729 -0.27364407 -0.5736931 -6.15425986 -19.45057517 1.194E-9 2.671E-9 5.972E-9 1.335E-8 2.986E-8 6.677E-8 1.493E-7 3.338E-7 7.465E-7 0.000001669 0.000003733 0.000008346 0.00001866 0.000041729999999 0.00009331 51630-58-1 3347 144209036 A A Fenvalerate Clc1ccc(cc1)C(C(C)C)C(=O)OC(C#N)c3cccc(Oc2ccccc2)c3 Tox21_201838 -NCGC00090701-06 196709405 tox21-ror-cho-viability-p1 set2 4 -1.38651255 -0.73206451 -0.68319126 -1.38684976 -0.29610233 -2.50249253 -0.80295665 -0.00425601 -0.33947858 -2.65133254 0.09553284 0.2809446 0.54816904 -0.50961207 -0.02214988 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00263658-01 196698060 tox21-ror-cho-viability-p1 set1 4 -2.24099691 -2.79776851 -1.22944503 -4.3125519 0.00097783 -0.55441829 -1.59558507 -1.04180764 -0.28371276 -0.61930845 -0.4275371 0.24759999 0.85619974 1.61918783 5.03351528 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 38821-53-3 38103 170465355 Z Cephradine CC=3CS[C@H]2N(C(=O)[C@H]2NC(=O)[C@H](N)C1=CCC=CC1)C=3C(=O)O Tox21_113488_1 -NCGC00016737-04 196698051 tox21-ror-cho-viability-p1 set1 4 2.18793222 7.02514363 4.62503759 0.73786468 5.09864607 0.90880725 0.28832868 -1.19695922 2.98792688 0.86838875 -1.95822745 1.75530767 1.74739769 0.35004009 4.45779556 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 18694-40-1 3242 170465827 A Epirizole Cc1cc(nc(n1)n2nc(C)cc2OC)OC Tox21_110584_1 -NCGC00096119-02 196698054 tox21-ror-cho-viability-p1 set1 4 37.5780357627 10.5989469959 -0.5989469959 10 4.9549173134 0.6805628031 0.0487763674 -1.06296057 -2.58245583 -1.33659871 1.28739876 -2.53082473 -0.00666204 -0.7164586 1.04817856 -0.75608431 2.09632546 -1.70622688 -2.55115836 0.65343308 -1.68708316 7.91716381 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-63-9 6021 170465655 A Inosine Oc3ncnc2c3ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Tox21_111522_1 -NCGC00016242-05 196698055 tox21-ror-cho-viability-p1 set1 4 2.50077964 6.01412928 0.74501423 0.76455256 3.11358376 2.46716982 0.60688365 0.98647828 1.34761219 1.53200102 -0.12390141 3.77721014 -0.33316483 1.85283176 2.27058093 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54-36-4 4174 170465268 A Metyrapone CC(C)(c1cccnc1)C(=O)c2cccnc2 Tox21_110323_1 -NCGC00259214-01 196720957 tox21-ror-cho-viability-p1 set3 4 41.0153021365 11.4385800359 -1.4385800359 10 0.7 0.5972635282 0.1005656256 -2.91069016 0.54041658 -2.70395657 0.67540238 -3.14264853 -1.72649145 -3.28215003 -0.04578305 -0.57390107 1.94803681 0.90165547 1.75334873 -1.98875777 7.14499483 6.1102672 1.242E-9 2.7759999999E-9 6.208E-9 1.388E-8 3.104E-8 6.941E-8 1.552E-7 3.4699999999E-7 7.76E-7 0.000001735 0.00000388 0.000008676 0.000019399999999 0.00004338 0.000097 51235-04-2 39965 144208863 A A Hexazinone CN(C)C2=NC(=O)N(C1CCCCC1)C(=O)N2C Tox21_201665 -NCGC00254012-01 196720556 tox21-ror-cho-viability-p1 set3 4 0.0034376243 17.707338348 -19.707338348 -2 0.5 0.4469817601 0.2279881545 -13.38399305 -14.75611529 -4.91873607 -3.71247262 -9.80084646 -9.98014911 -3.49539166 -2.10983078 -4.24933684 -2.51734512 0.65060551 0.65175123 -3.01739642 -9.1999961 -5.86818482 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47330 9865233 144210545 A A PharmaGSID_47330 N#Cc1cccc(F)c1c2cc(ccc2F)c3cnc4nc(cnn34)C(C)(C)O Tox21_300225 -NCGC00254964-01 196720561 tox21-ror-cho-viability-p1 set3 4 0.0015355304 -12.035741004 12 -0.035741004 4.9549173134 0.4258621218 0.2490333013 9.54919134 -0.5733452 -0.08471511 -2.5996858 -0.44640704 6.97657628 2.68262508 -1.13325252 -1.00092094 3.65937154 -5.02978417 -2.6364564 0.20326349 -0.28977839 0.74003361 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10361-91-8 61510 144211379 Ytterbium(III) chloride Cl[Yb](Cl)Cl Tox21_301062 -NCGC00259699-01 196720956 tox21-ror-cho-viability-p1 set3 4 0.95615609 -7.68050315 0.24568598 -1.12607366 -3.72418113 -4.37405395 -11.42329155 -8.01237842 -3.72579215 -6.09029947 -7.26929808 -6.09242351 -17.39094847 -1.61982721 -2.22183237 1.474E-9 3.2969999999E-9 7.372E-9 1.648E-8 3.6859999999E-8 8.2419999999E-8 1.8429999999E-7 4.121E-7 9.215E-7 0.000002061 0.000004608 0.0000103 0.00002304 0.000051509999999 0.0001152 7328-97-4 62630 144209348 D 2,2',2'',2'''-[Ethane-1,1,2,2-tetrayltetrakis(4,1-phenyleneoxymethylene)]tetraoxirane c2cc(OCC1CO1)ccc2C(c4ccc(OCC3CO3)cc4)C(c6ccc(OCC5CO5)cc6)c8ccc(OCC7CO7)cc8 Tox21_202150 -NCGC00258842-01 196720972 tox21-ror-cho-viability-p1 set3 4 -0.31384153 -1.48841093 -0.55442639 2.60308701 -0.492662 -9.43157251 -6.7147682 -2.38427938 -10.46587831 0.79151935 -7.78265026 -7.34744352 -1.61482815 3.77194175 2.22138873 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.0000036909999999 0.000008252 0.000018449999999 0.000041259999999 0.00009226 98-07-7 7367 144208488 D Benzotrichloride ClC(Cl)(Cl)c1ccccc1 Tox21_201290 -NCGC00259146-01 196721367 tox21-ror-cho-viability-p1 set3 -2.1 30.5132723993 -97.5340353247 -9.03852698 -106.5725623047 1.331 0.956614097 0.0000038458 -11.14572609 -10.87696716 -4.38428217 2.01664434 -13.28107377 -6.98321898 -11.90818798 -13.836998 -20.08762727 -8.0663618 -18.91396444 -17.09457363 -43.40306768 -67.87316885 -88.36862546 1.1759999999E-9 2.63E-9 5.8799999999E-9 1.315E-8 2.94E-8 6.574E-8 1.4699999999E-7 3.2869999999E-7 7.35E-7 0.0000016439999999 0.0000036749999999 0.000008218 0.000018379999999 0.00004109 0.00009188 989-38-8 235227 144208795 A A Rhodamine 6G Cl.O=C(OCC)c4ccccc4C=1c3cc(C)c(cc3OC2=C\C(=N\CC)C(C)=CC=12)NCC Tox21_201597 -NCGC00259617-01 196722158 tox21-ror-cho-viability-p1 set3 4 43.2331187906 12.8816721879 -3.8816721879 9 3.1319983358 0.6804842586 0.0478824541 -6.24610677 -2.95640329 -0.3721845 0.58915203 -2.11041603 -4.54462963 -6.68894541 -3.7186028 -7.40139349 -5.56500037 -2.22911253 -6.07253728 -4.0514812 2.13084379 8.02215368 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.9479999999E-8 6.591E-8 1.474E-7 3.295E-7 7.369E-7 0.000001648 0.000003684 0.000008239 0.00001842 0.00004119 0.00009211 78491-02-8 62277 144209266 D Diazolidinyl urea OCN1C(=O)N(CO)C(=O)C1N(CO)C(=O)NCO Tox21_202068 -NCGC00259895-01 196722164 tox21-ror-cho-viability-p1 set3 4 8.0941858542 6.7360787799 -4.7360787799 2 4.9549173134 0.4039410949 0.2689869323 -0.33826948 -7.41167406 -5.66258942 1.56920437 -9.78006565 -1.66204381 -7.19682154 -7.25413349 -2.1764818 -7.53858962 -6.35001282 0.6336189 2.51151556 -3.39045071 6.81210452 1.491E-9 3.334E-9 7.455E-9 1.667E-8 3.7269999999E-8 8.3349999999E-8 1.864E-7 4.167E-7 9.3179999999E-7 0.000002084 0.000004659 0.00001042 0.0000233 0.00005209 0.0001165 29590-42-9 165746 144209544 D Isooctyl acrylate CC(C)CCCCCOC(=O)C=C Tox21_202346 -NCGC00021141-05 196725887 tox21-ror-cho-viability-p1 set3 1.2 0.1333319023 46.05644736 0.237168372 46.293615732 1.111 0.933189019 0.0000401131 2.92720497 -1.05756111 4.17204957 2.96970623 -0.01116329 4.61885207 12.02225474 36.18725838 35.14796582 29.35003915 40.60461865 50.06368194 53.88002185 44.97624625 45.21001875 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1176-08-5 298107 170465477 A Phenyltoloxamine citrate O=C(O)C(O)(CC(=O)O)CC(=O)O.CN(C)CCOc2ccccc2Cc1ccccc1 Tox21_110862_1 -NCGC00090910-03 196702889 tox21-ror-cho-viability-p1 set1 4 -4.05666403 -2.51679689 -1.0521014 -9.85023685 -5.14505119 -17.18207383 -10.53775211 -4.40710911 -7.32564328 -13.37292536 -0.27535241 -4.6240679 -12.49294814 -15.58614134 -6.88930151 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00260241-01 196702890 tox21-ror-cho-viability-p1 set1 -2.4 31.0433465046 -21.464924244 1 -20.464924244 4.9549173134 0.8411596132 0.0044408197 4.21016442 -0.85549966 1.07543437 1.94106573 -2.00071828 -0.42964437 0.70697425 0.96256295 3.05504216 2.65260542 1.31152644 -1.85415454 3.8431036 -20.38743687 1.96097219 1.193E-9 2.6679999999E-9 5.967E-9 1.3339999999E-8 2.9829999999E-8 6.671E-8 1.4919999999E-7 3.3359999999E-7 7.458E-7 0.000001668 0.0000037289999999 0.000008339 0.00001865 0.000041689999999 0.00009323 203389-28-0 2734180 144209891 FNS 1-Butylpyridinium tetrafluoroborate F[B-](F)(F)F.CCCC[n+]1ccccc1 Tox21_202693 -NCGC00260626-01 196702891 tox21-ror-cho-viability-p1 set1 4 -0.2052497 0.13554791 -0.63351762 3.14353011 0.41505102 0.48277844 -3.57859085 0.12694501 3.95129514 1.19935028 0.3474983 0.84144889 3.44515818 -0.60666838 6.12127665 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49522 144210279 M M NTP Mix102 ER1 10-EQC Tox21_203081 -NCGC00091759-02 196703303 tox21-ror-cho-viability-p1 set1 4 1.21687367 -1.06294648 -0.81080206 1.8177546 0.21082577 1.19949293 -6.3377133 1.31731541 -0.71024504 -1.17155002 3.32168169 -0.11563023 -0.59870318 0.34060968 0.15164401 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00260262-01 196703312 tox21-ror-cho-viability-p1 set1 4 0.67603067 0.7191607 -1.36927741 -7.68603635 -2.59833807 -1.99535359 -7.81399287 1.42952471 -2.66062885 -5.80048721 -5.09294802 -6.36552585 -7.60624742 -6.27394569 -1.51089778 6.488E-10 1.451E-9 3.244E-9 7.254E-9 1.622E-8 3.6269999999E-8 8.11E-8 1.813E-7 4.055E-7 9.0669999999E-7 0.000002027 0.0000045339999999 0.00001014 0.00002267 0.00005069 10022-31-8 24798 144209912 Barium nitrate [Ba+2].[O-][N+]([O-])=O.[O-][N+]([O-])=O Tox21_202714 -NCGC00260515-01 196703319 tox21-ror-cho-viability-p1 set1 4 0.0152928626 5.5652562 -2.5652562 3 3.9294729863 0.4027548736 0.2712266483 1.1133029 -3.07635705 -5.8877135 0.01337694 1.20171566 5.85973865 6.33034753 0.22878782 0.22088513 0.45945568 6.74680763 0.53993593 7.81006356 0.99588323 2.73839161 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.4699999999E-7 3.2859999999E-7 7.3479999999E-7 0.000001643 0.000003674 0.0000082159999999 0.00001837 0.00004108 0.00009185 13520-92-8 159678 144210167 Zirconyl chloride octahydrate O.O.O.O.O.O.O.O.Cl[Zr](Cl)=O Tox21_202969 -NCGC00260550-01 196703714 tox21-ror-cho-viability-p1 set1 4 0.17160558 -0.99371825 -4.0487886 -3.57327046 -3.07087399 -5.03500019 0.57885028 -1.76013963 -0.2020656 -4.12276682 -4.78446996 -7.84842811 -0.67873657 -0.76196607 2.11106045 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49446 144210203 M M NTP Mix58 CT1 62-EQP Tox21_203005 -NCGC00091830-04 196703719 tox21-ror-cho-viability-p1 set1 4 4.8557733675 -17.691491184 6.5 -11.191491184 1.0999999999 0.914557702 0.0001459699 5.87460108 6.54819108 5.24464608 6.16296149 6.5802622 7.06458145 7.18610433 8.30281449 0.3091595 1.23658079 1.93562555 -4.57105302 -10.99290932 -7.20280501 -10.76025003 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00260673-01 196703724 tox21-ror-cho-viability-p1 set1 4 -1.06526788 -0.17250745 4.13995683 -1.05272255 0.22765972 0.6466479 -6.97351638 -0.74216413 -4.10802042 5.00999209 -1.50901715 -1.30398305 -1.000969 0.58056517 -0.68288021 6.0249999999E-10 1.347E-9 3.012E-9 6.736E-9 1.506E-8 3.368E-8 7.531E-8 1.684E-7 3.7659999999E-7 8.4199999999E-7 0.000001883 0.0000042099999999 0.000009414 0.00002105 0.000047069999999 538-41-0 10855 144209784 A A 4,4'-Diaminoazobenzene Nc2ccc(/N=N/c1ccc(N)cc1)cc2 Tox21_202586 -NCGC00091643-08 196703727 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -16.582659252 2 -14.582659252 4.9549173134 0.5215890191 0.1601559503 -0.4310942 1.28980152 6.90885804 -0.9761027 -0.35824514 -0.5296364 6.91515094 7.71068227 -2.99110304 0.91741256 4.19323245 0.46475551 -0.1952682 0.7913874 -11.31888271 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00259071-01 196703738 tox21-ror-cho-viability-p1 set1 -2.4 53.4868908821 -31.458772284 -1 -32.458772284 1.331 0.8479317743 0.0024072916 -0.21032221 0.86983826 0.78878944 -1.88158138 -5.47768746 0.02537906 0.15354673 0.65333946 0.67190978 -0.8466982 -7.16086374 -0.65463227 -10.09027733 -10.25448475 -23.71564357 1.162E-9 2.5969999999E-9 5.808E-9 1.299E-8 2.9039999999E-8 6.493E-8 1.4519999999E-7 3.247E-7 7.2599999999E-7 0.000001623 0.0000036299999999 0.000008117 0.000018149999999 0.000040579999999 0.00009075 117-79-3 8341 144208719 A A 2-Aminoanthraquinone Nc2ccc3C(=O)c1ccccc1C(=O)c3c2 Tox21_201521 -NCGC00356974-01 196704139 tox21-ror-cho-viability-p1 set1 4 -0.68032308 -3.11091839 -1.15253859 -0.76144781 -0.93880146 -1.65079248 1.26076216 1.54635488 -1.9604131 0.07785178 0.70860759 -1.51608356 0.81879377 -2.595822 -2.73097481 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 464-48-2 444294 251919659 A (1S)-(-)-Camphor CC2(C)[C@@H]1CC(=O)[C@@]2(C)CC1 Tox21_303988 -NCGC00091426-02 196701662 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -15.997756624 -0.5 -16.497756624 4.9549173134 0.4244217737 0.2490861164 -0.10147514 -0.28207127 0.05765957 3.15658945 -1.38691961 -8.87970868 2.38672069 4.8819618 0.703862 -0.91913924 0.21676278 -9.83881804 1.24060377 -0.73976958 -13.74813052 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00357225-01 196711891 tox21-ror-cho-viability-p1 set2 2.4 37.5780357627 26.5510857 1.4489143 28 0.9999999999 0.7572215906 0.0174920495 0.2171021 0.02726089 -0.82347868 5.52562592 -0.87590475 0.06913982 3.29443868 4.32925007 0.62038906 5.21847089 0.31721451 3.09387881 8.25620653 6.57234464 20.42331832 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104-87-0 7725 251919762 Bc 4-Methylbenzaldehyde Cc1ccc(C=O)cc1 Tox21_304012 -NCGC00357107-01 196711474 tox21-ror-cho-viability-p1 set2 4 -2.88185511 -1.01738927 -0.10690962 -0.48347029 -0.09677585 2.24865556 1.29969446 2.8950074 -2.38869363 1.69113926 -4.0650286 -26.37343983 2.58062804 4.14928109 -18.8767371 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-62-6 62322 251919947 Fns Diethoxy(dimethyl)silane C[Si](C)(OCC)OCC Tox21_303834 -NCGC00357033-01 196711480 tox21-ror-cho-viability-p1 set2 4 1.30067674 -4.97881309 -4.67043663 -5.30197721 -3.48539883 -5.97171537 0.86802649 -0.81278478 0.38540052 -11.33316575 -0.54799304 -5.35181998 -3.89331384 -1.77257654 -14.09074004 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-34-2 8108 251919853 Fns Butyl vinyl ether C=COCCCC Tox21_303721 -NCGC00260627-01 196711886 tox21-ror-cho-viability-p1 set2 4 21.1316824289 -16.171978936 -1 -17.171978936 2.4063783767 0.6380732388 0.0716482896 -0.90698809 2.72007101 -1.2072081 -0.30682957 -1.35590778 -1.65096016 3.41238312 -1.37337916 -10.59825039 -0.93262482 0.74160583 0.30677047 -1.76601185 -9.46416922 -15.14331578 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49523 144210280 M M NTP Mix103 ER1 10-EQC Tox21_203082 -NCGC00260443-01 196711895 tox21-ror-cho-viability-p1 set2 2.4 88.2846828676 32.5 3.5 36 0.9999999999 0.7706484844 0.0139606677 0.10053841 5.50686556 3.57823437 2.6270861 4.10463935 3.83955205 3.5593232 4.22172501 5.61532693 4.81512365 6.25267843 5.44631372 5.29900035 8.29288397 27.50587031 1.202E-9 2.688E-9 6.0119999999E-9 1.344E-8 3.006E-8 6.721E-8 1.503E-7 3.361E-7 7.5139999999E-7 0.0000016799999999 0.0000037569999999 0.000008401 0.000018789999999 0.00004201 0.00009393 2206-89-5 16627 144210095 A 2-Chloroethyl acrylate C=CC(=O)OCCCl Tox21_202897 -NCGC00260286-01 196711897 tox21-ror-cho-viability-p1 set2 4 -6.34916035 -18.06815832 -11.61720005 -8.43855447 -7.30333304 0 0 -17.17707142 -8.00430771 -8.98239145 -7.21790856 0 0 -27.41953713 -17.96986008 2.973E-10 6.648E-10 1.4859999999E-9 3.324E-9 7.432E-9 1.662E-8 3.7159999999E-8 8.3099999999E-8 1.8579999999E-7 4.155E-7 9.29E-7 0.0000020769999999 0.0000046449999999 0.00001039 0.00002323 112-75-4 8211 144209936 Fns N,N-Dimethyltetradecylamine CN(C)CCCCCCCCCCCCCC Tox21_202738 -NCGC00260044-01 196711900 tox21-ror-cho-viability-p1 set2 4 78.2127246844 -18.74836322 -2 -20.74836322 4.9549173134 0.5720148764 0.118376593 0.01450672 -0.3362165 -0.4200326 0.24407648 -0.47179201 1.7623764 -3.06168055 -9.82569208 0.06520422 -4.94283668 0.16492981 -2.57771569 -6.89608476 0.15436802 -16.45696935 1.196E-9 2.6729999999E-9 5.978E-9 1.337E-8 2.989E-8 6.683E-8 1.494E-7 3.3419999999E-7 7.4719999999E-7 0.000001671 0.000003736 0.0000083539999999 0.000018679999999 0.00004177 0.0000934 327-97-9 9476 144209693 A B Chlorogenic acid O[C@@H]2[C@H](O)C[C@](O)(C[C@H]2OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)O Tox21_202495 -NCGC00260365-01 196712295 tox21-ror-cho-viability-p1 set2 -3 27.3337914917 -69.052168382 -7.47118237 -76.523350752 4.9549173134 0.7590359992 0.0221083175 -10.58315845 -8.74989822 -24.44521573 -29.03059048 -3.45528507 0 -13.54620858 0 0 -4.76338098 -2.04976653 -3.09112319 0 -79.7118237 -29.93285949 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.00009229 2892-51-5 17913 144210017 A A 3-Cyclobutene-1,2-dione,3,4-dihydroxy- OC1=C(O)C(=O)C1=O Tox21_202819 -NCGC00255879-01 196711077 tox21-ror-cho-viability-p1 set2 4 5.95832492 -2.39009438 0.31719729 -3.04054752 -1.68185065 -0.5418536 0.87546403 1.40199609 1.6231581 -0.02136057 2.44149514 -0.19968957 1.86028319 0.67237862 0.3968421 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-76-5 6321405 144211962 A A Isoborneol C[C@]12CC[C@H](C[C@H]1O)C2(C)C Tox21_301645 -NCGC00255235-01 196710669 tox21-ror-cho-viability-p1 set2 4 -1.12978739 1.52459084 1.8126423 2.35968613 2.35847588 0.07943267 1.44666422 -1.25672369 2.63210381 -0.14328023 1.83471329 2.49847403 -1.05517426 -0.33000677 -0.44968042 8.6709999999E-10 1.939E-9 4.335E-9 9.6939999999E-9 2.168E-8 4.8469999999E-8 1.0839999999E-7 2.424E-7 5.419E-7 0.000001212 0.00000271 0.000006059 0.00001355 0.000030299999999 0.00006774 26040-51-7 117291 144212721 A Ac Bis(2-ethylhexyl) tetrabromophthalate Brc1c(c(c(Br)c(Br)c1Br)C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC Tox21_302404 -NCGC00255126-01 196710678 tox21-ror-cho-viability-p1 set2 4 -0.50170362 -1.2255051 0.80935069 -0.15910554 -5.64334128 1.81176201 -2.19659657 -6.1630996 0.95108684 -1.83547093 1.62182013 2.09793363 2.65993791 -1.75581928 -4.11997708 1.062E-9 2.374E-9 5.309E-9 1.187E-8 2.654E-8 5.935E-8 1.327E-7 2.968E-7 6.636E-7 0.000001484 0.000003318 0.000007419 0.00001659 0.0000371 0.00008295 33419-42-0 5284558 144212518 A A Etoposide COc1cc(cc(OC)c1O)[C@@H]5c2cc7OCOc7cc2C(O[C@@H]3O[C@@H]4CO[C@@H](C)O[C@H]4[C@H](O)[C@H]3O)C6COC(=O)[C@H]56 Tox21_302201 -NCGC00255783-01 196711072 tox21-ror-cho-viability-p1 set2 4 1.5261657969 5.9179782719 -8.0041421759 -2.086163904 3.9294729863 0.5730494317 0.5734265298 -11.15816909 -6.66231187 -60.65316558 -5.05096845 -8.19246163 -11.67011848 -2.52993581 -11.48482508 -8.95661359 -4.39610346 -1.72609473 -0.91270858 -5.1128031 -1.37225942 -0.48846992 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.00009175 35948-25-5 6328250 144211820 D F 6H-Dibenzo[c,e][1,2]oxaphosphinine 6-oxide O=P2Oc3ccccc3c1ccccc12 Tox21_301503 -NCGC00091499-05 196723419 tox21-ror-cho-viability-p1 set3 4 8.6349217992 -8.0650262279 0 -8.0650262279 2.7202212143 0.3967055814 0.292667387 -2.11411285 -0.38841842 -0.3978686 1.77014919 0.89691425 -1.3328959 1.47710449 2.89126219 -5.04435473 6.41303183 -5.15238199 -0.46420561 -12.97085519 -4.23010466 4.49962911 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00263526-01 196722992 tox21-ror-cho-viability-p1 set3 4 8.4126743008 16.780110552 0.219889448 17 1.6604358099 0.8371143395 0.0049586233 -0.47325497 -0.20511025 -0.29263548 0.85206617 -0.4807965 -1.16591281 -0.89671486 5.58024152 2.61094428 -1.48342546 1.22968877 4.92498194 8.96830634 14.00239723 3.86856305 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1310709-74-0 56649463 170466241 A Halometasone hydrate O.OCC(=O)[C@@]4(O)[C@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3C[C@H](F)C1=CC(=O)C(Cl)=C[C@@]12C Tox21_112211_1 -NCGC00253684-01 196722996 tox21-ror-cho-viability-p1 set3 4 -6.81828548 0.00099784 -1.81045787 -1.04333456 5.11068467 -0.47156517 -0.12094667 -0.89243853 6.54399172 5.92998016 -7.32387575 -5.15049655 2.73124628 3.24679035 0.7382781 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 40807-61-2 96387 170466774 Z A 4-Phenylpiperidin-4-ol OC1(CCNCC1)c2ccccc2 Tox21_113808 -NCGC00263545-01 196722998 tox21-ror-cho-viability-p1 set3 4 2.01614158 -1.90846558 1.29219941 0.95375539 4.88942811 3.26556103 -2.30600794 1.72462657 12.13717863 4.05801681 9.79439785 8.48942981 -1.62379202 4.48608055 14.51686496 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 38398-32-2 6918305 170466317 F Ganaxolone CC(=O)[C@H]4CC[C@@H]3[C@]4(C)CC[C@H]1[C@H]3CC[C@H]2C[C@](C)(O)CC[C@]12C Tox21_112264_1 -NCGC00260074-01 196723813 tox21-ror-cho-viability-p1 set3 -2.2 26.2302400911 -47.1690788819 -0.813670312 -47.9827491939 1.92824246 0.8705433025 0.00113431 -6.03529338 -4.01450472 -2.26499708 4.35787313 5.30814933 -3.31836523 6.40734767 -0.38139823 -0.42262602 -5.29580472 -1.20878023 -5.18319324 -6.55591704 -16.37798929 -36.72935545 5.83E-10 1.304E-9 2.915E-9 6.518E-9 1.4569999999E-8 3.259E-8 7.287E-8 1.6289999999E-7 3.644E-7 8.1469999999E-7 0.0000018219999999 0.0000040739999999 0.000009109 0.00002037 0.000045539999999 7220-79-3 104827 144209723 Ac Bc Methylene Blue trihydrate [Cl-].O.O.O.CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C Tox21_202525 -NCGC00356938-01 196723824 tox21-ror-cho-viability-p1 set3 4 0.0108707225 8.5 4 12.5 2.4063783767 0.4780614224 0.1993561319 8.0350948 1.79712244 4.79930426 8.69427173 15.27510513 15.86810127 13.06616984 16.27571385 15.1729797 11.63610261 10.22462614 12.17088873 8.68771414 5.88606944 10.81750775 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 619-50-1 12083 251919661 A Methyl p-nitrobenzoate O=[N+]([O-])c1ccc(cc1)C(=O)OC Tox21_303702 -NCGC00091009-05 196719754 tox21-ror-cho-viability-p1 set3 4 0.1379195189 7.304546684 -8.304546684 -1 2.3331733767 0.8102614987 0.0064737454 -8.23774124 -11.92045557 -7.2049293 -4.62360397 -8.37784919 -8.39411478 -4.02596837 -2.31966962 -0.01475622 -0.78849863 -1.09606866 0.32249207 -1.87917911 0.45267507 -3.18947024 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00256692-01 196719326 tox21-ror-cho-viability-p1 set2 4 -3.43605527 -3.80436883 -5.56963653 1.45866132 -4.82596954 -4.708524 -0.10955601 -2.68687723 -4.84971163 -3.46399835 1.78638308 -0.2038885 0.41821379 -2.4114868 -5.49726791 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2040-10-0 74879 144212956 A Bc 4'-tert-Butyl-2',6'-dimethylacetophenone Cc1cc(cc(C)c1C(=O)C)C(C)(C)C Tox21_302639 -NCGC00090780-04 196719332 tox21-ror-cho-viability-p1 set2 4 21.6899429044 -13.47946146 3.5 -9.97946146 1.59358881 0.6952532021 0.0405359038 2.59966944 0.00637533 0.84181157 0.18045174 0.88524056 8.28518198 2.74191416 4.64361415 5.36393007 5.82501993 6.24424486 -0.04578695 -3.92210796 -4.07721022 -9.98288455 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00254560-01 196719733 tox21-ror-cho-viability-p1 set3 4 0.0038570779 14.133625024 -15.633625024 -1.5 0.5 0.3783070204 0.2937232769 -6.97710139 -14.69468752 -6.55377354 -3.1307055 -6.18462149 -8.98028539 0.07078228 -6.52931943 0.74303307 1.57746258 -4.37251631 0.81209818 1.19675783 -7.3289416 -3.38873729 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2683-43-4 75893 144210969 A Ac 2,4-Dichloro-6-nitroaniline Nc1c(cc(Cl)cc1Cl)[N+]([O-])=O Tox21_300652 -NCGC00255060-01 196720147 tox21-ror-cho-viability-p1 set3 4 -0.56015849 -0.40614277 12.77672481 6.3713221 15.88808012 1.86551544 -1.22057088 15.83501592 1.90154311 6.18039407 -1.56747653 2.0105205 -1.87356081 5.40104588 2.69082494 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18172-67-3 440967 144211479 FNS (-)-beta-Pinene CC2(C)[C@H]1CCC(=C)[C@@H]2C1 Tox21_301162 -NCGC00260242-01 196724283 tox21-ror-cho-viability-p1 set3 4 0.2164583524 -7.2017129159 7 -0.2017129159 4.9549173134 0.6151749376 0.1003032164 0.8227197 8.26234428 6.34159071 8.53772082 11.24606648 5.24560954 8.00769414 -2.25142743 -1.99483462 3.11205578 -1.77937413 2.69241688 -1.28657656 1.04456507 4.84265709 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.000003681 0.00000823 0.000018399999999 0.00004115 0.00009201 390423-43-5 2734248 144209892 A A 1-Butylpyridinium trifluoromethanesulfonate FC(F)(F)S([O-])(=O)=O.CCCC[n+]1ccccc1 Tox21_202694 -NCGC00016000-13 196724278 tox21-ror-cho-viability-p1 set3 -1.2 0.351818565 -30.0209922243 -1.7741385029 -31.7951307272 2.7202212143 0.8062153795 0.0069471051 -10.06747254 -0.97398633 -1.19631406 0.09425171 1.85019179 -0.95882286 -4.88086209 -12.19492134 -34.05629068 -45.89119324 -27.28801054 -20.00814924 -19.56323239 -38.43563009 -37.14164273 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00260477-01 196724291 tox21-ror-cho-viability-p1 set3 4 0.5448267328 -7.69783452 3 -4.69783452 4.9549173134 0.5658681873 0.123137583 -3.09659395 1.88943311 4.87130905 4.70546254 6.28147296 1.61431956 0.16378772 7.03594408 -5.8636279 -6.25881107 -5.74373424 -0.61723767 -1.41640537 -2.66331617 -10.1648621 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004124 0.00009223 56-05-3 65522 144210129 A A 2-Amino-4,6-dichloropyrimidine Clc1cc(Cl)nc(N)n1 Tox21_202931 -NCGC00357088-01 196724299 tox21-ror-cho-viability-p1 set3 4 0.0013685429 20.79742994 -22.29742994 -1.5 0.9999999999 0.6591450104 0.0592501174 -16.91452495 -5.40072527 -2.6977907 -5.763681 -2.67675484 -3.33596335 -2.77575942 -3.98906259 -2.26267454 -5.39058099 1.95296315 -1.0769211 -2.62745435 0.71304785 1.88541003 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 628-81-9 12355 251919932 Fns 1-Ethoxybutane CCOCCCC Tox21_303804 -NCGC00258672-01 196730168 tox21-ror-cho-viability-p1 set3 4 -5.16749289 -0.06612319 -2.14355841 -4.01742941 -0.08537803 -3.59060397 0.02086688 -2.42787066 -2.99142367 -0.35436076 0.01394093 0 0.32779633 -0.93389274 0.52871403 1.171E-9 2.618E-9 5.8529999999E-9 1.3089999999E-8 2.927E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.316E-7 0.0000016359999999 0.000003658 0.00000818 0.00001829 0.0000409 0.00009146 481-40-3 3083585 144208318 FNS 1,4,5-Trihydroxynaphthalene Oc1ccc(O)c2cccc(O)c12 Tox21_201120 -NCGC00163906-02 196729758 tox21-ror-cho-viability-p1 set3 4 -4.14528138 -0.93755524 0.40468567 1.37466404 0.45703785 1.12846058 0.17604138 0 -0.63599835 -1.85268636 0 0 -2.07869122 -4.27547168 -4.44501583 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00257862-01 196729760 tox21-ror-cho-viability-p1 set3 4 -4.3407591 1.8719617 -3.95852358 2.47020755 -0.17087145 -3.73307736 -3.69748977 -3.16926777 -3.48805553 1.01142539 -10.8576753 -5.8865395 -6.96738614 6.7100813 -10.17721935 1.222E-9 2.733E-9 6.1119999999E-9 1.367E-8 3.056E-8 6.8339999999E-8 1.528E-7 3.417E-7 7.64E-7 0.0000017079999999 0.00000382 0.0000085419999999 0.0000191 0.000042709999999 0.000095499999999 101-18-8 7546 144207506 A A 3-Hydroxy-N-phenylaniline Oc2cccc(Nc1ccccc1)c2 Tox21_200308 -NCGC00258646-01 196730164 tox21-ror-cho-viability-p1 set3 4 -1.27392255 0.08639731 -3.58490473 0.81621007 -0.91609463 -0.91113792 -3.57695051 0.21613762 -0.07393155 3.49729152 -0.01224289 1.62751731 -2.41195719 -2.19200354 -1.73533572 1.1529999999E-9 2.579E-9 5.766E-9 1.289E-8 2.883E-8 6.447E-8 1.4419999999E-7 3.2229999999E-7 7.2079999999E-7 0.000001612 0.000003604 0.0000080589999999 0.00001802 0.000040289999999 0.0000901 121-90-4 8495 144208292 A F 3-Nitrobenzoyl chloride O=[N+]([O-])c1cc(ccc1)C(Cl)=O Tox21_201094 -NCGC00257976-01 196730584 tox21-ror-cho-viability-p1 set3 4 77.115374479 -13.978062656 1 -12.978062656 4.9549173134 0.7864900956 0.0106917816 1.39676838 -0.63547513 1.19794053 0.81673293 -0.79168147 2.5599245 -0.12989952 -0.5185659 3.36894646 3.42377669 0.44372103 -0.65260877 1.4437258 1.82587672 -9.98171888 1.182E-9 2.6429999999E-9 5.9109999999E-9 1.322E-8 2.955E-8 6.608E-8 1.4779999999E-7 3.304E-7 7.388E-7 0.0000016519999999 0.0000036939999999 0.0000082599999999 0.000018469999999 0.000041299999999 0.00009235 594-42-3 11666 144207620 Perchloromethylmercaptan ClC(Cl)(Cl)SCl Tox21_200422 -NCGC00258717-01 196702513 tox21-ror-cho-viability-p1 set1 4 34.2364547331 10.9448695361 1.0551304639 12 3.5117481694 0.7004253064 0.0383261862 0.0642369 -1.9735775 1.31886184 7.42913567 -2.03739128 0.8565634 1.51766742 1.23852549 1.01870036 1.08800574 -0.80818619 1.81064232 0 9.11582624 12.09741603 1.1759999999E-9 2.63E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.576E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.00000822 0.000018379999999 0.0000411 0.0000919 520-18-3 5280863 144208363 A A Kaempferol Oc1ccc(cc1)C=3Oc2cc(O)cc(O)c2C(=O)C=3O Tox21_201165 -NCGC00259093-01 196705795 tox21-ror-cho-viability-p1 set1 4 -2.96122311 1.87074863 -12.8590796 -11.92398087 -0.7851471 -6.54318716 -0.7273867 -0.56906749 0.96703061 0 1.2683947 -4.13486202 -3.89352632 -5.20336255 0.00657981 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.61E-8 1.4779999999E-7 3.305E-7 7.3899999999E-7 0.0000016529999999 0.0000036949999999 0.000008263 0.00001848 0.00004131 0.000092379999999 119-36-8 4133 144208741 A A Methyl salicylate Oc1ccccc1C(=O)OC Tox21_201543 -NCGC00259898-01 196706221 tox21-ror-cho-viability-p1 set1 4 3.38723406 1.91824051 -0.41629154 6.74175845 6.92764553 -0.97903761 1.33037522 1.21031422 4.76856176 11.27486304 0.06117836 5.2099009 4.02044346 -3.83653244 -2.29517657 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 500-66-3 10377 144209547 A A Olivetol Oc1cc(CCCCC)cc(O)c1 Tox21_202349 -NCGC00258903-01 196706223 tox21-ror-cho-viability-p1 set1 4 -10.48806368 -1.80884323 -9.58956747 0.37433249 -7.35767226 0.16926086 -0.74391343 0.33776163 -4.27369985 -13.72096352 -7.80763009 -8.34279116 1.32907903 -9.79457873 -3.22256245 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.00001844 0.000041219999999 0.00009218 99-57-0 3613389 144208549 A A 2-Amino-4-nitrophenol Nc1cc(ccc1O)[N+]([O-])=O Tox21_201351 -NCGC00258429-01 196702494 tox21-ror-cho-viability-p1 set1 4 0.33142788 2.21046564 0.14988119 0.11142081 0.31903241 0.15174603 6.04269221 5.65236784 8.81978003 3.7810149 2.88553485 2.56168287 3.89307495 3.55873125 1.10177596 1.1919999999E-9 2.6649999999E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.662E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004164 0.000093099999999 121-86-8 8491 144208073 A Ac 2-Chloro-1-methyl-4-nitrobenzene Cc1ccc(cc1Cl)[N+]([O-])=O Tox21_200875 -NCGC00258657-01 196702495 tox21-ror-cho-viability-p1 set1 4 5.76319356 2.64359954 2.37353991 4.17749028 5.6688351 0.61304326 0.01459529 1.83488312 1.74587439 5.43557088 -0.86686555 0.13958359 2.45051995 4.59872489 -0.33422593 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 262297-13-2 11424880 144208303 A 1-Butyl-3-methylimidazolium hydrogensulfate CCCCn1cc[n+](C)c1.[O-]S(=O)(=O)O Tox21_201105 -NCGC00258136-01 196702498 tox21-ror-cho-viability-p1 set1 4 0.74331161 3.56843128 -0.2008123 3.71699287 0.75554866 3.56648077 6.26761706 0.90454704 5.69722768 1.26936744 0.23595528 2.68409414 7.0847821 2.94103509 9.89831323 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.397E-7 0.0000016539999999 0.0000036989999999 0.0000082699999999 0.000018489999999 0.00004135 0.00009247 405514-94-5 44630019 144207780 A A Tributylmethylammonium bis(trifluoromethylsulfonyl)imde FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.CCCC[N+](C)(CCCC)CCCC Tox21_200582 -NCGC00258402-01 196702514 tox21-ror-cho-viability-p1 set1 4 -0.33523677 -6.40060677 2.73625736 -0.7859301 -0.61594819 -3.21707194 -0.71271095 -1.0320277 -3.82614241 -2.013171 0.06991765 -2.9735488 -0.77248071 0.76087579 0.09923259 1.118E-9 2.5E-9 5.59E-9 1.25E-8 2.795E-8 6.25E-8 1.397E-7 3.1249999999E-7 6.987E-7 0.000001562 0.000003494 0.000007812 0.000017469999999 0.00003906 0.00008734 6138-79-0 5284472 144208046 A A Triprolidine hydrochloride monohydrate Cl.O.Cc1ccc(cc1)C(=C\CN2CCCC2)/c3ccccn3 Tox21_200848 -NCGC00260657-01 196702908 tox21-ror-cho-viability-p1 set1 4 0.04852757 4.02008466 -1.39492875 3.39662765 1.94125405 2.58122475 3.64243251 -1.55961971 -0.24711752 1.24073984 -1.13959973 0.73914537 -1.77231293 1.2816143 2.66736867 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49553 144210310 M M NTP Mix23 AR2 2-EQP Tox21_203112 -NCGC00018221-08 196702911 tox21-ror-cho-viability-p1 set1 4 77.8989325373 -11.3536577599 -0.5 -11.8536577599 4.9549173134 0.4443029839 0.2322765928 6.30707303 -3.11578393 -2.31454648 -1.99064881 -1.83219836 -4.17084431 1.51478326 -0.64135129 -0.74454345 0.06814987 -0.59668887 0.54047855 -0.37533236 1.28297114 -9.0447148 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00260021-01 196702925 tox21-ror-cho-viability-p1 set1 4 0.727551 -0.71835425 2.25480052 0.98027079 0.47505511 0.79937451 -0.11972705 -0.28045839 -1.02408019 1.79577368 -0.43054968 1.01903431 1.57124216 -1.79987453 2.63167901 1.188E-9 2.656E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.641E-8 1.4849999999E-7 3.321E-7 7.425E-7 0.0000016599999999 0.000003712 0.0000083009999999 0.00001856 0.000041509999999 0.00009281 625-86-5 12266 144209670 Fns 2,5-Dimethylfuran Cc1ccc(C)o1 Tox21_202472 -NCGC00260251-01 196702928 tox21-ror-cho-viability-p1 set1 4 -0.64665239 7.79846405 9.54588661 4.03182202 -1.00836467 8.54939765 5.80150552 8.70865372 -1.11779564 -0.31884733 8.80669216 2.95334452 9.21157445 5.36050364 11.6791874 1.185E-9 2.651E-9 5.927E-9 1.325E-8 2.9629999999E-8 6.627E-8 1.482E-7 3.3129999999E-7 7.409E-7 0.000001657 0.000003704 0.0000082829999999 0.00001852 0.00004142 0.00009261 345984-11-4 44717198 144209901 A A 1-Butyl-1-methylpyrrolidinium tetrafluoroborate CCCC[N+]1(C)CCCC1.F[B-](F)(F)F Tox21_202703 -NCGC00260466-01 196703326 tox21-ror-cho-viability-p1 set1 4 0.019763872 -21.88228411 -6.76444323 -7.45729148 -6.31253318 -7.43373837 -9.03242053 -0.47640411 -4.67305003 3.89611243 0.51251164 3.20164597 0.64162628 1.75969407 0.22044152 6.1051254 1.211E-9 2.709E-9 6.0569999999E-9 1.3539999999E-8 3.029E-8 6.772E-8 1.514E-7 3.386E-7 7.5719999999E-7 0.000001693 0.000003786 0.000008465 0.00001893 0.000042329999999 0.00009465 491-36-1 63112 144210118 A A 4-Hydroxyquinazoline O=C2NC=Nc1ccccc12 Tox21_202920 -NCGC00260601-01 196712325 tox21-ror-cho-viability-p1 set2 -2.4 23.7101376556 -30.926387252 -3.5 -34.426387252 3.0654483358 0.5202682659 0.1602168199 0.03278612 -1.05858083 -2.8642461 -3.48089489 -1.31642303 -0.33344501 -0.21661221 -13.10638025 -25.73304457 -0.09881703 -1.64538918 2.73923382 0 -17.38443152 -30.35532271 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49497 144210254 M M NTP Mix4 AR1 8-EQC Tox21_203056 -NCGC00253980-01 196713970 tox21-ror-cho-viability-p1 set2 4 3.0637858693 4.849902356 -6.744660776 -1.89475842 1.331 0.3936167468 0.2812061583 -6.61373703 -11.45388398 -2.6694233 -7.06944319 -4.8484206 -2.92353698 -6.26878962 -10.61029489 -6.94913212 -4.81367216 -3.48348521 -2.00116802 -4.79278129 -0.32896535 -1.67111843 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-44-5 2879 144210349 A F p-Cresol Cc1ccc(O)cc1 Tox21_300029 -NCGC00166070-02 196712737 tox21-ror-cho-viability-p1 set2 4 5.58117793 5.69205848 3.31522162 7.70219796 2.92869434 4.89438094 4.58397131 2.03272756 3.50624632 0.09361766 -1.99690041 0.00318927 2.06419524 3.97691418 3.68690362 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60812-23-9 14552708 170466627 A Decominol hydrochloride Cl.OC(COCCCCCCCCCC)CN Tox21_112303_1 -NCGC00090686-07 196712333 tox21-ror-cho-viability-p1 set2 2.4 48.5577336745 22 3 25 0.7999999999 0.8116237141 0.0062456679 1.7164736 1.63679996 7.07488318 2.63458391 4.81006689 5.18165283 2.29181828 6.30743012 5.61412554 5.47832269 5.39349263 6.85656919 9.2806656 11.19241182 19.42878697 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00356996-01 196712334 tox21-ror-cho-viability-p1 set2 4 -1.36978178 -9.88464172 -6.55936342 -5.77053657 -8.67338434 -6.54914544 -27.94798056 0 -42.0886675 0 -24.16686532 -5.67851063 -9.31545812 -22.46639124 -8.33184405 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 584-03-2 11429 251919752 A 1,2-Butanediol CCC(O)CO Tox21_303800 -NCGC00178580-03 196712754 tox21-ror-cho-viability-p1 set2 4 2.86665328 -3.88292501 -7.11087008 -5.19069591 0.13069439 -2.18164114 -6.45080674 1.34675982 1.52491067 1.27044525 -2.57139455 -6.21612058 -10.26998389 -0.88715452 2.34104938 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87-89-8 892 170465541 Z myo-Inositol O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O Tox21_111642_1 -NCGC00016268-08 196713170 tox21-ror-cho-viability-p1 set2 4 -3.15625323 -1.89500869 1.82096115 1.78528816 -3.55768408 -4.39255353 -4.39134744 0.3249316 -0.93134512 -9.39185013 -2.63164927 -6.47679986 -1.49956712 1.05104392 2.52028837 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-67-6 938 170465044 Z Niacin O=C(O)c1cccnc1 Tox21_110337_1 -NCGC00015810-12 196713176 tox21-ror-cho-viability-p1 set2 -2.4 5.3080386368 -22.67081824 0.5 -22.17081824 1.826479391 0.9537848015 0.0000054803 -0.44960918 -1.29816515 -2.17179557 -0.41816529 2.72274718 1.73818143 -0.9084472 0.64295809 0.90101527 -0.37998095 1.0710426 -10.58937899 -14.66941325 -18.99466483 -23.0590152 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 61-25-6 6084 170465687 A Papaverine hydrochloride Cl.COc1ccc(cc1OC)Cc3nccc2cc(OC)c(cc23)OC Tox21_110226_1 -NCGC00091775-03 196713570 tox21-ror-cho-viability-p1 set2 -2.4 6.8589621897 -22.1222938759 1.5 -20.6222938759 1.6258976909 0.9681838305 6.801E-7 2.03284352 3.65344596 2.93676375 3.14849506 2.73616219 -0.02001921 -0.09646654 -0.3496795 0.55156925 -1.47993517 -3.09047101 -13.08258461 -15.57416372 -21.76857823 -18.97143526 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00094916-06 196713573 tox21-ror-cho-viability-p1 set2 4 6.39853438 6.52377197 4.67070415 -0.55033449 0.37774312 3.64423564 0.71234044 0.78187998 1.03883237 -0.54751679 -0.69453239 -0.1924339 0.62230734 3.02487132 3.03909566 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 40828-46-4 5359 170465412 A Suprofen O=C(c1ccc(cc1)C(C)C(=O)O)c2cccs2 Tox21_110643_1 -NCGC00015277-17 196713576 tox21-ror-cho-viability-p1 set2 4 8.3192862 2.98324741 6.89153937 6.7245054 3.61924464 0.40962905 3.41296872 3.67609583 0.21643133 2.9888141 -1.31697261 0.09998092 3.73106945 -0.92184616 8.93948066 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 28657-80-9 2762 170465414 A Cinoxacin O=C(O)C2=NN(CC)c1cc3OCOc3cc1C2=O Tox21_110121_1 -NCGC00183023-01 196713577 tox21-ror-cho-viability-p1 set2 4 2.0928246 -0.19730236 -0.99006755 -1.15760741 -0.14625752 -1.18525254 1.0661763 -7.49624965 -0.69253045 -5.92428445 -2.32567001 -5.66498275 -0.9094188 -5.28847493 -1.15377789 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21721-92-6 71900 144206859 A A Nitrefazole [O-][N+](=O)c1ccc(cc1)n2cc(nc2C)[N+]([O-])=O Tox21_113308 -NCGC00259979-01 196721380 tox21-ror-cho-viability-p1 set3 4 38.4531352514 7.284962516 -5.784962516 1.5 2.3331733767 0.3516668937 0.3212158715 -7.3040154 -6.36715307 -4.48141749 2.01800596 -4.78137172 -5.60666229 -8.58650426 -10.65413543 -6.57957182 -6.82364284 -5.00707599 -6.68167056 -5.64527261 -1.26439558 0.70486827 1.177E-9 2.6319999999E-9 5.886E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.000003679 0.000008225 0.00001839 0.00004113 0.00009196 110-64-5 175854 144209628 D 2-Butene-1,4-diol OC\C=C\CO Tox21_202430 -NCGC00259919-01 196720981 tox21-ror-cho-viability-p1 set3 4 0.0212935148 -5.3390574119 0 -5.3390574119 4.9549173134 0.3353119604 0.3354851837 -6.41403397 -1.81382929 5.97963008 2.55727265 -5.65359495 -6.01674723 -6.76160326 -7.35802603 -8.19921451 -4.42961064 -5.11090717 -7.44022071 -4.68321335 1.90118924 -4.8515151 1.162E-9 2.599E-9 5.812E-9 1.2999999999E-8 2.9059999999E-8 6.4979999999E-8 1.453E-7 3.249E-7 7.265E-7 0.000001624 0.000003632 0.000008122 0.00001816 0.00004061 0.000090809999999 6959-48-4 23394 144209568 D 3-(Chloromethyl)pyridine hydrochloride Cl.ClCc1cccnc1 Tox21_202370 -NCGC00259435-01 196720983 tox21-ror-cho-viability-p1 set3 4 43.7176041855 10.5414567199 -6.5414567199 4 3.5117481694 0.4922347103 0.186721911 -5.07027717 -4.92014668 -4.55406405 -7.49097261 -5.47026675 -9.16251828 -6.08992005 -2.43973609 -14.6178806 -4.13362977 -5.0420029 -7.04019246 -8.33626384 -1.50061381 3.59228125 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.6509999999E-8 1.487E-7 3.325E-7 7.436E-7 0.000001663 0.000003718 0.000008313 0.00001859 0.00004157 0.000092939999999 318-98-9 62882 144209084 A A Propranolol hydrochloride Cl.CC(C)NCC(O)COc2cccc1ccccc12 Tox21_201886 -NCGC00259927-01 196721376 tox21-ror-cho-viability-p1 set3 4 43.4532278581 11.1219665399 -4.1219665399 7 3.0654483358 0.3637535763 0.3076087362 -4.4885031 -5.81680679 1.27939525 6.815748 -2.46357473 -8.01830545 -5.75975686 -3.82537435 -7.96887919 -5.48430068 -5.22637967 -7.43622145 -3.83699887 1.4009959 6.09370528 1.1839999999E-9 2.648E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.619E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 122-34-9 5216 144209576 A A Simazine Clc1nc(NCC)nc(NCC)n1 Tox21_202378 -NCGC00259311-01 196721391 tox21-ror-cho-viability-p1 set3 -1.1 6.0819863345 -91.7153499777 -4.856475046 -96.5718250237 1.9673362061 0.9913795153 3E-10 -6.40987025 -4.62078405 -4.63378768 2.18568357 -2.31009149 -6.61570861 -5.54318169 -6.43514823 -12.47913452 -6.58446634 -32.39392243 -60.15772235 -90.61850904 -96.37906689 -94.00495062 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.938E-8 6.568E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.000041049999999 0.0000918 548-62-9 11057 144208960 A A Gentian Violet [Cl-].C/[N+](C)=C1\C=C\C(C=C1)=C(/c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C Tox21_201762 -NCGC00259332-01 196721778 tox21-ror-cho-viability-p1 set3 4 35.0415267255 13.861552412 -4.861552412 9 2.4063783767 0.8539015862 0.0020239434 -5.64637794 -5.17880287 -4.87169299 -5.50998585 -6.71209232 -7.38462701 -3.69350162 -5.52831275 -6.8372791 -1.35274507 -2.55387383 -3.21512781 -3.8606816 4.74538277 8.45432803 1.1989999999E-9 2.6809999999E-9 5.9959999999E-9 1.3409999999E-8 2.998E-8 6.704E-8 1.4989999999E-7 3.352E-7 7.495E-7 0.000001676 0.000003747 0.00000838 0.000018739999999 0.000041899999999 0.000093689999999 120-58-1 8439 144208981 B Isosafrole CC=Cc1ccc2OCOc2c1 Tox21_201783 -NCGC00259575-01 196721789 tox21-ror-cho-viability-p1 set3 4 -7.14263865 -2.95968346 1.5972405 8.88524178 -7.72534534 -8.238295 -6.99070525 -4.24100256 -9.02090115 -3.39230575 -5.29420251 -3.54985415 -5.0715777 -2.25911595 -4.01184861 1.173E-9 2.6229999999E-9 5.865E-9 1.311E-8 2.9319999999E-8 6.557E-8 1.466E-7 3.279E-7 7.3309999999E-7 0.0000016389999999 0.0000036659999999 0.000008197 0.00001833 0.00004098 0.00009164 1095-90-5 14184 144209224 A A Methadone hydrochloride Cl.CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2 Tox21_202026 -NCGC00259782-01 196721798 tox21-ror-cho-viability-p1 set3 4 -15.49453624 -2.64814884 -2.33288255 -1.8816933 -4.90151203 -16.46069799 -8.68391255 -7.12645164 -5.73148058 -3.30903304 -19.45021603 -9.26926255 -3.08534963 0.25007308 2.55520462 1.177E-9 2.631E-9 5.884E-9 1.316E-8 2.942E-8 6.578E-8 1.471E-7 3.289E-7 7.354E-7 0.000001645 0.0000036769999999 0.000008223 0.00001839 0.00004111 0.00009193 117-84-0 8346 144209431 A A Dioctyl phthalate O=C(OCCCCCCCC)c1ccccc1C(=O)OCCCCCCCC Tox21_202233 -NCGC00259967-01 196721799 tox21-ror-cho-viability-p1 set3 4 -4.96018965 -4.56220496 -1.13839509 0.49506331 -5.58067449 -5.60129659 -4.32729441 -5.76022868 -5.96722711 -2.58412745 -3.47511869 -3.17725515 -6.17838114 2.36356947 -0.11737564 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003708 0.000008291 0.00001854 0.00004145 0.00009269 141-90-2 1269845 144209616 A A Thiouracil O=C1C=CNC(=S)N1 Tox21_202418 -NCGC00259223-01 196721801 tox21-ror-cho-viability-p1 set3 4 31.8256106956 9.9596898039 -0.9596898039 9 4.9549173134 0.4784191483 0.1989923707 -4.01549596 1.72257913 -0.85611275 8.34337535 -0.79866613 -2.70059166 -2.71234639 -2.1087204 -1.14750083 1.5125234 -4.96640817 0.45818915 -1.81660355 7.87972433 8.05548319 1.218E-9 2.723E-9 6.088E-9 1.361E-8 3.044E-8 6.807E-8 1.522E-7 3.403E-7 7.61E-7 0.000001702 0.000003805 0.0000085079999999 0.000019019999999 0.000042539999999 0.00009512 7773-06-0 24482 144208872 A A Ammonium sulfamate [NH4+].[O-]S(N)(=O)=O Tox21_201674 -NCGC00163774-04 196722181 tox21-ror-cho-viability-p1 set3 4 -2.72593247 1.52964559 -5.99338883 5.11568871 -1.22104615 -2.89392464 -3.35133118 -2.07120771 -2.11569848 0.43825961 -4.25327975 -3.99362945 -3.36489095 -1.21158107 3.27086634 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00259131-01 196722195 tox21-ror-cho-viability-p1 set3 4 -18.60975248 -7.22634244 -2.32847253 -3.01095559 -4.59577153 -10.40342587 -14.17189196 -10.48601057 -12.10081813 -4.4127835 -10.14154778 -8.00107749 -8.09969772 -1.02482824 -0.44413826 1.172E-9 2.621E-9 5.8609999999E-9 1.311E-8 2.9299999999E-8 6.553E-8 1.465E-7 3.276E-7 7.326E-7 0.0000016379999999 0.0000036629999999 0.000008191 0.00001832 0.00004095 0.00009158 122-78-1 998 144208780 D Phenylacetaldehyde O=CCc1ccccc1 Tox21_201582 -NCGC00257943-01 196702110 tox21-ror-cho-viability-p1 set1 4 -11.74294766 0.36471219 0.41436976 -12.43546822 -5.75927036 5.67218804 -1.89093235 -2.37001713 -3.52209708 -2.95870775 -13.04837398 -0.79330526 -6.66249182 -6.1965572 -11.21934202 1.156E-9 2.5839999999E-9 5.778E-9 1.292E-8 2.889E-8 6.46E-8 1.444E-7 3.23E-7 7.2219999999E-7 0.000001615 0.000003611 0.000008075 0.000018059999999 0.000040369999999 0.00009028 106-92-3 7838 144207587 A A Allyl glycidyl ether C=CCOCC1CO1 Tox21_200389 -NCGC00015971-05 196704572 tox21-ror-cho-viability-p1 set1 4 0.22110298 -2.03781574 1.79299161 0.05276946 1.53385525 0.20743261 1.94000058 -2.13343679 2.44897989 2.87759268 0.59226721 -0.33785587 0.23733359 1.3661504 4.73729218 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71-27-2 22475 170464625 F Succinylcholine chloride [Cl-].[Cl-].C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C Tox21_111268_1 -NCGC00090731-08 196704575 tox21-ror-cho-viability-p1 set1 4 0.1953632 0.96214948 1.95339103 0.77984044 1.46174882 0.79290915 -0.06087477 -0.37613939 2.71094836 0.68458881 4.57474963 0.57917297 1.17793739 -0.14224066 1.3678297 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122-99-6 31236 170465671 F 2-Phenoxyethanol OCCOc1ccccc1 Tox21_111002_1 -NCGC00249937-01 196704583 tox21-ror-cho-viability-p1 set1 1.4 0.0021131682 20.335796736 -21.335796736 -1 4.9549173134 0.9620056514 0.0479946071 -47.79916323 -19.44649728 -4.33341076 -1.22463596 -0.71590366 0.25815893 -2.45242802 -1.97403053 -1.4643807 -0.74263441 -2.07063521 -2.50154539 -0.88395603 -0.81991146 0.97122252 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84466-05-7 9861780 170465981 F A Amidoflumet Clc1cc(c(NS(=O)(=O)C(F)(F)F)cc1)C(=O)OC Tox21_113713 -NCGC00258049-01 196701697 tox21-ror-cho-viability-p1 set1 4 0.55910972 3.15607932 1.20971093 -0.49769365 -0.43466712 3.51052222 5.07031575 2.95681959 8.72083463 0.70236598 1.88436585 3.96633817 1.34841463 -0.41157507 -0.80655541 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.0000082699999999 0.000018489999999 0.00004135 0.000092459999999 81-21-0 6673 144207693 A A Dicyclopentadiene dioxide O1C2CC3C(C12)C5CC3C4OC45 Tox21_200495 -NCGC00258623-01 196701706 tox21-ror-cho-viability-p1 set1 4 2.74989675 1.03716438 -1.35163786 -1.43025126 2.05465984 -4.3322671 5.31338758 3.75041416 -0.07324453 2.49328683 1.63382978 -2.04456632 2.07807092 5.33812662 6.10190045 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.397E-7 0.0000016539999999 0.0000036989999999 0.0000082699999999 0.000018489999999 0.00004135 0.00009247 76-02-8 6420 144208268 Trichloroacetyl chloride ClC(Cl)(Cl)C(Cl)=O Tox21_201070 -NCGC00257753-01 196702105 tox21-ror-cho-viability-p1 set1 4 52.9350070188 -14.4869074119 1.5 -12.9869074119 3.9294729863 0.552275288 0.1343532824 6.51309614 -1.59897253 0.37403128 -1.25041815 -1.35922886 -1.88397355 0.86257241 -0.05638515 7.71442694 -0.19235312 4.31844288 5.055774 1.34883496 -1.92491158 -11.23908951 1.152E-9 2.576E-9 5.7609999999E-9 1.288E-8 2.8809999999E-8 6.4409999999E-8 1.44E-7 3.221E-7 7.2009999999E-7 0.00000161 0.000003601 0.000008051 0.000018 0.00004026 0.00009002 4640-01-1 627458 144207397 A A Methyl triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1OC Tox21_200199 -NCGC00258068-01 196702111 tox21-ror-cho-viability-p1 set1 4 2.70315782 -1.37717544 0.66474398 7.2893103 5.3027691 0.74146777 2.60099309 3.12867464 6.21978507 1.39060616 1.2080807 0.84908871 1.79175446 0.84338128 2.07498542 1.1699999999E-9 2.617E-9 5.852E-9 1.3089999999E-8 2.926E-8 6.543E-8 1.463E-7 3.2719999999E-7 7.315E-7 0.0000016359999999 0.000003658 0.0000081789999999 0.00001829 0.000040889999999 0.000091439999999 59-33-6 5284451 144207712 A A Pyrilamine maleate O=C(O)/C=C\C(=O)O.COc1ccc(cc1)CN(CCN(C)C)c2ccccn2 Tox21_200514 -NCGC00258477-01 196702118 tox21-ror-cho-viability-p1 set1 4 2.08270033 7.15426709 -1.12594202 0.09605689 -2.28659258 -1.84232358 -2.74009172 -1.8308306 -0.3108324 1.85768927 0.67055992 0.36024287 -1.89982878 1.42259981 -1.44346764 1.185E-9 2.651E-9 5.927E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3129999999E-7 7.409E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009261 71133-14-7 114809 144208121 Bromodichloroacetic acid BrC(Cl)(Cl)C(=O)O Tox21_200923 -NCGC00258067-01 196702520 tox21-ror-cho-viability-p1 set1 -3 24.3365162115 -52.2107945035 3.3593574895 -48.851437014 4.5044702849 0.9606712184 0.0000060932 -0.02421136 1.92067006 1.78151024 6.98693939 1.5844757 7.58003816 1.80988015 1.76240204 6.01041787 7.12585069 4.52521672 -0.70358723 -8.57239311 -45.23281205 -25.67287058 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 952-23-8 197873 144207711 A A Proflavin hydrochloride Cl.Nc1cc2nc3cc(N)ccc3cc2cc1 Tox21_200513 -NCGC00258228-01 196702528 tox21-ror-cho-viability-p1 set1 4 -5.219512 -2.38305472 -3.6684981 -6.92692125 -5.77242066 -2.70686298 -10.40130524 -9.48007873 -2.91612911 -12.70667844 -7.4327379 -5.58542061 -6.12034684 -5.78203774 -1.68422065 1.1469999999E-9 2.566E-9 5.7369999999E-9 1.2829999999E-8 2.868E-8 6.414E-8 1.434E-7 3.2069999999E-7 7.1709999999E-7 0.000001603 0.000003585 0.000008017 0.00001793 0.00004009 0.00008964 79-29-8 6589 144207872 FNS 2,3-Dimethylbutane CC(C)C(C)C Tox21_200674 -NCGC00258718-01 196702542 tox21-ror-cho-viability-p1 set1 4 -0.79068157 -3.19951281 1.18636925 -1.91756575 1.76632301 -0.12810604 -3.29568097 -2.88900881 1.11634581 0.97815958 1.52280727 1.13537801 -2.86905621 4.81482667 4.02428029 1.211E-9 2.707E-9 6.053E-9 1.353E-8 3.0259999999E-8 6.767E-8 1.5129999999E-7 3.3829999999E-7 7.566E-7 0.0000016919999999 0.0000037829999999 0.000008459 0.00001891 0.000042289999999 0.000094569999999 542-02-9 10949 144208364 A A 6-Methyl-1,3,5-triazine-2,4-diamine Nc1nc(C)nc(N)n1 Tox21_201166 -NCGC00260586-01 196702950 tox21-ror-cho-viability-p1 set1 4 2.27075748 -1.11412085 -1.4444617 -2.3875636 -6.78747348 1.97980106 -4.50705285 0.01612037 -0.3702685 2.85978998 -0.53572362 -0.18310165 2.18633347 -4.25362551 -1.36131313 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49482 144210239 M M NTP Mix45 CT1 3-EQP Tox21_203041 -NCGC00260041-01 196702959 tox21-ror-cho-viability-p1 set1 4 -1.23968288 -0.30590472 -0.12908528 -0.94768323 -1.63892004 -1.572283 -1.18659656 -2.90343637 -1.9743771 -3.53078609 -2.21262536 -3.04429802 1.57762117 0.01828914 0.54564607 1.173E-9 2.622E-9 5.863E-9 1.311E-8 2.931E-8 6.5549999999E-8 1.466E-7 3.277E-7 7.328E-7 0.0000016389999999 0.000003664 0.000008193 0.00001832 0.000040969999999 0.000091599999999 1306-19-0 14782 144209690 Cadmium oxide [Cd]=O Tox21_202492 -NCGC00016959-06 196712775 tox21-ror-cho-viability-p1 set2 1.1 1.333319023 97.0525116967 -6.0974515643 90.9550601324 3.0654483358 0.992023771 2E-10 -5.28599765 -8.9025977 -7.44791006 -3.82552594 -5.63483315 -6.80155026 -3.9965986 -3.7641041 0.05154795 2.19077859 70.13059657 89.99488279 91.00325423 93.00108398 84.49847115 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 93107-08-5 62999 170464757 A Ciprofloxacin Cl.O=C(O)C2=CN(c1cc(c(F)cc1C2=O)N3CCNCC3)C4CC4 Tox21_110712_1 -NCGC00024762-04 196712769 tox21-ror-cho-viability-p1 set2 1.1 2.1131682429 61.634078602 4.25516392 65.889242522 1.8851180601 0.9830315627 1.83E-8 5.58798319 3.91371793 -0.24053694 6.66267433 3.81699894 2.94573791 6.17509471 5.88536987 7.83241148 9.344921 30.29449617 56.11198298 64.19596547 69.32138058 57.2851569 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98774-23-3 108092 170466289 A Tesmilifene hydrochloride CCN(CCOc1ccc(cc1)Cc2ccccc2)CC Tox21_110924_1 -NCGC00163903-03 196712770 tox21-ror-cho-viability-p1 set2 4 3.52591549 0.31466244 0.36326982 -0.50530742 3.08676438 0.70572377 1.138017 4.54425959 0.30410957 1.21598419 1.14207241 0.70825191 0.85953536 2.62598456 1.30551107 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00015191-13 196712771 tox21-ror-cho-viability-p1 set2 4 7.01528557 7.02543728 5.51413407 4.59274278 6.11499635 7.50469273 5.04071531 0.91239589 4.69563759 3.23803595 -0.73554506 0.17816809 -1.03656409 0.43352827 6.85098104 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80-77-3 2717 170465161 A Chlormezanone O=C1CCS(=O)(=O)C(N1C)c2ccc(Cl)cc2 Tox21_110093_1 -NCGC00249932-01 196712777 tox21-ror-cho-viability-p1 set2 4 -4.37305783 -1.40997456 -1.5202617 -1.64678604 -3.13474561 -3.54035797 -1.05038232 -1.83296038 -1.13244306 -3.07404525 1.41653844 -1.01825226 -0.39845548 -0.03533225 -0.01436573 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 38957-41-4 3221 170465843 A A Emorfazone CCOC1=C(C=NN(C)C1=O)N2CCOCC2 Tox21_113708 -NCGC00015893-06 196713600 tox21-ror-cho-viability-p1 set2 4 -1.41308879 -2.75102116 -2.03707191 -1.94738347 -2.79643052 -4.3031555 -1.08678488 -3.24030595 -0.77837684 -1.0306703 -2.29700853 -2.26413044 -0.18884736 -1.5440329 2.7432132 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 91374-21-9 5095 170465139 A Ropinirole CCCN(CCC)CCc1cccc2NC(=O)Cc12 Tox21_110256_1 -NCGC00024810-07 196713613 tox21-ror-cho-viability-p1 set2 4 5.44681666 -0.49115243 3.58151539 3.26834419 -0.1354621 -0.34238132 2.20705106 0.84126359 -0.73130099 0.82921798 2.45775942 -1.34318095 2.75540406 0.92220023 -1.23350884 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6673-35-4 4883 170466619 A Practolol CC(C)NCC(O)COc1ccc(cc1)NC(C)=O Tox21_110928_1 -NCGC00183842-01 196713618 tox21-ror-cho-viability-p1 set2 4 0.88481504 0.44384505 0.47157862 -0.05474357 2.5217609 -0.89072872 2.26157936 -0.47404512 1.53981467 0.16189996 -0.75800376 0.16243187 0.58600581 2.06272967 0.97730859 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 134865-33-1 3045414 144206838 A A Meluadrine O[C@@H](CNC(C)(C)C)c1ccc(O)cc1Cl Tox21_113287 -NCGC00017257-14 196713620 tox21-ror-cho-viability-p1 set2 4 -0.68805087 0.2274951 -1.23239176 -0.39981342 -5.64664795 1.18421473 -6.08421007 0.63390357 -5.90793315 0.13514541 -0.61447113 -0.07315267 0.63939322 -1.31396662 2.46930315 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17692-51-2 28693 170466571 A Metergoline O=C(OCc1ccccc1)NC[C@@H]3C[C@@H]4c5cccc2c5c(cn2C)C[C@H]4N(C)C3 Tox21_110808_1 -NCGC00163774-04 196714020 tox21-ror-cho-viability-p1 set2 4 -0.84061929 1.27472105 2.28555578 2.21218825 3.26547865 4.85462452 0.47856877 2.4188032 3.69797046 0.19547036 0.00311404 5.49717859 6.18072763 1.8213687 -3.35309157 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00090986-03 196714022 tox21-ror-cho-viability-p1 set2 4 17.3341131367 9.1137777639 -7.1137777639 2 0.8999999999 0.3427059887 0.3448008277 -4.50918747 -5.6401144 -4.98720548 -13.01148147 -7.50734916 -5.43809344 -8.98572525 -10.68323831 -6.20288951 -2.48828021 -7.24383593 -1.02818524 -6.66176487 1.44095235 -9.13083493 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00090721-03 196712799 tox21-ror-cho-viability-p1 set2 4 1.71337885 2.84789434 0.32099529 2.0387764 2.28543975 -1.63306739 -1.9823727 1.36063889 3.19803734 0.4243471 2.82200713 -2.06979055 -1.49935088 -0.94012473 1.29994814 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00254777-01 196720613 tox21-ror-cho-viability-p1 set3 4 7.6958821542 -8.14577178 8.5 0.35422822 3.9899729863 0.3621458003 0.3086778162 4.44203936 8.59461738 9.65257529 2.41924959 3.62796476 18.52677136 6.89228286 4.57938618 16.13319127 5.9294676 9.90445995 3.40678417 2.19044656 -0.53814315 -0.35131982 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-70-0 7884 144211190 AC Bc 4-Methoxy-4-methyl-2-pentanone CC(=O)CC(C)(C)OC Tox21_300873 -NCGC00090962-05 196720594 tox21-ror-cho-viability-p1 set3 4 0.002730602 20.0065334 -22.014866704 -2.008333304 0.6 0.6026467923 0.1093510951 -12.72017221 -17.51238892 -5.59387943 -2.75428243 -12.82114753 -3.71431178 -3.94115199 -1.92398574 -1.68370563 -4.63785989 -0.76448625 -0.00694442 -2.86331818 -4.0279897 -12.73536142 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00254460-01 196720605 tox21-ror-cho-viability-p1 set3 4 -7.34209768 -5.3986211 -7.78232057 2.02390664 9.74112902 -0.54453062 -3.76528686 15.13361098 13.9990532 14.13580606 -8.21783047 -5.12001454 8.39466001 9.35353632 5.62264868 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-71-6 7618 144210845 FNS Triethanolamine OCCN(CCO)CCO Tox21_300527 -NCGC00259443-01 196721007 tox21-ror-cho-viability-p1 set3 -3 68.0319836447 -45.8216623427 -3.223131918 -49.0447942607 4.4494702849 0.8778134447 0.0008612006 -7.28086035 -4.36709096 0.90430142 -2.09881255 -10.92171995 0.18581354 -3.9370238 2.80344474 -5.11680422 -5.78699773 -5.30557169 -1.05851933 -0.8734355 -7.59077642 -39.42787444 1.172E-9 2.6199999999E-9 5.859E-9 1.31E-8 2.9299999999E-8 6.551E-8 1.465E-7 3.275E-7 7.324E-7 0.0000016379999999 0.000003662 0.000008188 0.00001831 0.00004094 0.000091549999999 25152-84-5 5283349 144209092 A A (E,E)-2,4-Decadienal CCCCC\C=C\C=C\C=O Tox21_201894 -NCGC00258879-01 196721013 tox21-ror-cho-viability-p1 set3 4 0.0015277259 20.5417647439 -20.5417647439 0 4.0949729863 0.4638038854 0.2116685372 -15.45147062 -1.86298621 -6.0571994 3.16470816 5.31381618 0.40973792 5.13472349 0.88920084 0.80157194 -4.04685295 -11.11601205 -1.17291157 1.97156151 1.36809149 3.05328593 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.569E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.00004106 0.00009181 5466-77-3 21630 144208525 A A Octinoxate COc1ccc(C=CC(=O)OCC(CC)CCCC)cc1 Tox21_201327 -NCGC00259430-01 196721015 tox21-ror-cho-viability-p1 set3 4 -7.76228042 -2.35066562 1.20471068 3.18683146 -2.01127004 -7.36244049 -7.55051882 -0.93216531 -3.46944647 -3.91601354 -2.39775878 -4.42273937 0.00016431 0.8986003 -0.46183929 1.188E-9 2.6549999999E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 124-18-5 15600 144209079 FNS Decane CCCCCCCCCC Tox21_201881 -NCGC00259354-01 196721020 tox21-ror-cho-viability-p1 set3 -2.2 67.892692775 -52.6741327445 -7.0889017999 -59.7630345444 2.9022712143 0.9884978295 1.9E-9 -8.08569118 -6.5276972 -4.14672653 -6.24438027 -7.00410509 -7.13356914 -6.82908066 -6.54164972 -7.25591793 -6.86030888 -8.43658017 -7.18305378 -9.66933698 -16.72821133 -45.27502617 1.1699999999E-9 2.615E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.538E-8 1.462E-7 3.269E-7 7.31E-7 0.000001635 0.0000036549999999 0.000008173 0.00001828 0.000040869999999 0.00009138 57-97-6 6001 144209003 B C 7,12-Dimethylbenz(a)anthracene Cc2c1c4ccccc4ccc1c(C)c3ccccc23 Tox21_201805 -NCGC00259686-01 196721022 tox21-ror-cho-viability-p1 set3 4 43.4972720155 12.268700848 -4.768700848 7.5 3.9294729863 0.4527505963 0.2224414703 -4.11064197 -0.52889601 -1.26443438 1.36195383 -6.025712 -1.43011379 -7.69629288 -9.72266174 -6.59459015 -10.64058404 -2.42991963 -4.27234781 -9.51154749 0.92829491 7.14089837 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.625E-8 1.481E-7 3.3129999999E-7 7.407E-7 0.000001656 0.000003704 0.000008281 0.00001852 0.000041409999999 0.000092589999999 119-84-6 660 144209335 B Fns 3,4-Dihydrocoumarin O=C1CCc2ccccc2O1 Tox21_202137 -NCGC00259215-01 196721404 tox21-ror-cho-viability-p1 set3 4 21.7782030624 7.7307476919 -3.2307476919 4.5 4.9549173134 0.5477579515 0.138866834 -1.42071214 -9.35895641 -2.38759666 1.07031462 -3.51300694 -5.21730608 -2.92847923 -3.07611474 -5.71324384 -1.32043042 -3.25219594 -2.20839507 -1.33745442 5.73199451 2.75617241 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 4433-79-8 78170 144208864 A C N-(4-Chloro-2,5-dimethoxyphenyl)-3-oxobutanamide COc1cc(NC(=O)CC(C)=O)c(cc1Cl)OC Tox21_201666 -NCGC00259294-01 196721402 tox21-ror-cho-viability-p1 set3 4 -5.17044057 -2.34512785 -1.83528394 8.92536018 -3.82164828 -5.13746849 -5.83941043 -4.64421737 -6.04943747 -2.2097117 -5.19397235 -2.52404603 -3.32986416 2.25914992 1.11830166 1.167E-9 2.61E-9 5.836E-9 1.305E-8 2.918E-8 6.525E-8 1.459E-7 3.262E-7 7.295E-7 0.000001631 0.0000036469999999 0.000008156 0.000018239999999 0.00004078 0.00009118 102-76-1 5541 144208943 A A Triacetin O=C(C)OC(COC(C)=O)COC(=O)C Tox21_201745 -NCGC00015862-07 196722646 tox21-ror-cho-viability-p1 set3 2.4 16.7854920005 32.568908272 1.431091728 34 0.8999999999 0.8743353934 0.0009869237 3.52529718 2.15705489 -2.55742356 2.05570008 1.50730299 -0.22291399 -2.05795157 3.5420586 6.46957012 3.14829394 8.07255184 9.98912765 10.87221897 14.65035781 28.94205348 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 101-26-8 7550 170464878 F Pyridostigmine bromide [Br-].O=C(Oc1ccc[n+](C)c1)N(C)C Tox21_111266_1 -NCGC00259456-01 196721850 tox21-ror-cho-viability-p1 set3 4 -8.52402745 -10.78882848 -4.95752347 -2.46097125 -7.35222526 -2.44597057 -8.26533257 -8.47238632 -5.85863272 -5.46013955 -10.94239839 -3.28117861 -6.87863687 -1.61495066 -5.51272188 1.1469999999E-9 2.564E-9 5.734E-9 1.282E-8 2.867E-8 6.411E-8 1.434E-7 3.205E-7 7.168E-7 0.000001603 0.000003584 0.0000080139999999 0.00001792 0.00004007 0.00008959 120-71-8 8445 144209105 A A 2-Methoxy-5-methylaniline Nc1cc(C)ccc1OC Tox21_201907 -NCGC00066947-05 196725683 tox21-ror-cho-viability-p1 set3 4 0.96570946 -2.11507933 -0.29971976 -3.60444407 -4.14020395 -2.64515101 0.2237186 -2.95818077 -1.70133317 -9.20976957 -2.26029463 -1.02868222 -0.60886371 -3.30222133 -1.56879142 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00018221-08 196725687 tox21-ror-cho-viability-p1 set3 4 0.694274967 8.895191316 -4.895191316 4 3.5117481694 0.5298637259 0.1688177322 -1.01508759 -11.16265943 -1.23236263 3.77857598 -6.66625395 -11.01047254 -8.70742222 -3.30513677 -0.33155615 5.01756213 3.53061657 4.79388616 1.86324415 3.5525868 -0.86085687 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00025002-04 196725689 tox21-ror-cho-viability-p1 set3 4 -2.8205132 -3.43937504 10.41374427 -2.02230784 -1.10994298 -1.65288311 -3.29414875 0.29576244 -5.73582881 -12.10469928 -2.97328885 1.40712997 0.11707437 1.62421176 -1.51376939 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 102394-31-0 107867 170466332 A AF-DX 116 O=C(CN1CCCCC1CN(CC)CC)N4c2ccccc2C(=O)Nc3cccnc34 Tox21_110942_1 -NCGC00164502-02 196725702 tox21-ror-cho-viability-p1 set3 -3 37.5780357627 -36.6941255179 0.982147031 -35.7119784869 4.9549173134 0.5947497149 0.1004715847 7.0793271 -2.75545182 0.63113185 -1.13662486 -3.3369576 -2.10475293 -1.11673575 -0.33338988 -2.49075917 -4.04584199 -0.80588732 -0.42552085 6.77311256 20.82033681 -34.35819288 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3270-71-1 18637 170466562 D Nifuraldezone O=[N+]([O-])c1ccc(/C=N/NC(=O)C(N)=O)o1 Tox21_112140_1 -NCGC00159469-04 196726098 tox21-ror-cho-viability-p1 set3 4 -3.49434223 0 -14.34124932 -3.07335375 2.41067314 -2.23583775 1.09099257 -3.47120588 -7.58685649 -7.40186305 -5.7625254 -1.02442041 -2.37195169 2.72671692 -6.75668551 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 93-30-1 4117 170465530 A Methoxyphenamine COc1ccccc1CC(C)NC Tox21_113045_1 -NCGC00159421-03 196726100 tox21-ror-cho-viability-p1 set3 4 0.0188336318 6.48334696 0.01665304 6.5 4.0449729863 0.3545216776 0.3319620892 0.02219511 0.74631953 -2.0694558 0.6828244 1.6184178 5.46023101 10.17511819 2.99013802 13.1474987 12.59553364 0.62884592 -1.52992508 3.92853514 11.36185154 1.02424571 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 484-23-1 10230 170466387 Z Dihydralazine NNc2nnc(NN)c1ccccc12 Tox21_111653_1 -NCGC00159511-04 196726103 tox21-ror-cho-viability-p1 set3 -2.4 29.8492948118 -27.8110925479 -1.5 -29.3110925479 2.7867712143 0.8403050908 0.0030084235 0 0 -5.43173047 -7.26880005 1.46146651 -0.18494194 -2.03810931 1.0127339 -2.42827795 -1.86400866 -3.97837404 0.48095674 -3.57868033 -8.7579211 -22.75924379 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 101828-21-1 2484 170465093 A Butenafine CN(Cc1ccc(cc1)C(C)(C)C)Cc3cccc2ccccc23 Tox21_111729_1 -NCGC00182059-03 196726105 tox21-ror-cho-viability-p1 set3 4 -9.42383395 -5.5023904 -1.78994977 4.07483096 -3.79267023 -8.59084287 -7.11116822 -8.19962177 -0.25792979 -7.5819381 3.50627199 -14.53489684 -18.72880338 -7.13101559 0.41563835 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 144060-53-7 134018 170465220 A Febuxostat CC(C)COc1ccc(cc1C#N)c2nc(C)c(s2)C(=O)O Tox21_113004_1 -NCGC00261971-01 196726107 tox21-ror-cho-viability-p1 set3 4 2.19351737 2.3449731 3.26216426 -0.79082409 0.52678298 7.61337718 14.39966819 9.51604566 11.57511219 7.06792985 6.5937683 0.74897772 12.89585813 -1.74998663 -0.36115078 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 42024-98-6 4019 170466055 A A Mazaticol OC(C(=O)OC1CC2CCC(C)(C)C(C1)N2C)(c3cccs3)c4cccs4 Tox21_113891 -NCGC00094855-06 196726178 tox21-ror-cho-viability-p1 set3 4 0.0084126743 18.7750224199 -11.2750224199 7.5 0.4 0.6582040248 0.0707519516 -7.72918535 -7.02350769 -5.08395099 0.32023067 2.02733405 0.82524834 0.6160758 7.08035466 -1.4586113 3.41505513 7.40087621 -0.41280505 11.7048533 7.58784567 -0.45679381 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5588-16-9 2122 170466165 A Althiazide NS(=O)(=O)c2cc1c(NC(NS1(=O)=O)CSCC=C)cc2Cl Tox21_111347_1 -NCGC00183009-01 196725774 tox21-ror-cho-viability-p1 set3 4 0.0074978039 8.661753784 -2.161753784 6.5 4.9549173134 0.3840827517 0.3037706184 -0.75341848 -1.41192183 -3.88479482 -0.28526953 12.00789319 13.76573357 5.55805899 0 5.80119845 9.01531657 -2.96343325 4.81262192 12.73522541 3.00427882 0.6938455 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 150408-73-4 132916 144206813 A A Pranazepide Fc6ccccc6C3=N[C@H](NC(=O)c1cc2ccccc2n1)C(=O)N5CCc4cccc3c45 Tox21_113262 -NCGC00182047-03 196725779 tox21-ror-cho-viability-p1 set3 4 6.6824247267 -9.749662876 1 -8.749662876 4.9549173134 0.387799227 0.2836717626 -4.54070745 -0.88050289 2.02117279 4.47037507 4.10486202 6.14623563 -9.32003247 -7.58600335 2.4481864 5.12480625 4.48128398 6.16716978 -9.79138573 -7.53171893 -8.84258547 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21679-14-1 657237 170464764 F Fludarabine phosphate Nc3nc(F)nc2c3ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O Tox21_113419_1 -NCGC00253631-01 196705036 tox21-ror-cho-viability-p1 set1 4 1.4754884 1.86417124 1.46139127 0.26838956 0.98177627 1.57848766 0.46908698 0.36203542 -0.65329931 0.46926338 3.58463666 -0.07948191 3.6437633 3.72198405 -0.66288057 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1008-65-7 5380573 170466740 A A Fenadiazole Oc1ccccc1c2nnco2 Tox21_113759 -NCGC00160641-01 196704194 tox21-ror-cho-viability-p1 set1 4 1.21828113 -0.08153186 -5.84452999 0.13826883 1.10684265 -3.51888701 -4.23661248 0.04620579 -3.33298865 -6.93202181 -5.02656825 2.06985647 -4.48204432 1.10998799 -4.95400562 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2898-13-7 17931 144205501 A A Sulazepam Clc1ccc2c(c1)C(=NCC(=S)N2C)c3ccccc3 Tox21_111948 -NCGC00015784-14 196704607 tox21-ror-cho-viability-p1 set1 4 -1.34695111 -0.32697411 -2.60634938 -2.11546638 -3.3133476 1.24073329 1.85024279 0.48046647 -1.50909864 -2.2937319 1.35464549 -0.33739937 -2.47603335 -2.1818269 -0.59661554 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 75444-65-4 4847 170466281 A Pirenperone Fc1ccc(cc1)C(=O)C4CCN(CCC3=C(C)N=C2C=CC=CN2C3=O)CC4 Tox21_110220_1 -NCGC00090760-08 196705032 tox21-ror-cho-viability-p1 set1 -3 68.1713220381 -55.389403347 -0.079401147 -55.468804494 4.9549173134 0.9484652676 0.0000099301 -1.93280733 -0.20775161 3.39308878 -0.31689913 -1.55176977 0.23107031 -0.63280402 -0.60137932 -6.78474069 0.01716842 2.06476983 5.58067457 -0.04608823 -2.5564404 -45.2133369 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00165862-02 196705441 tox21-ror-cho-viability-p1 set1 4 18.8336317891 7.0952166479 -3.0952166479 4 3.1319983358 0.3434600805 0.3291806578 -1.24960678 -4.62295814 -2.22016779 -10.91268054 -0.57479913 -0.61888952 -2.98546723 -1.96825185 -1.78392808 -2.20591132 -2.98060443 -0.52797634 -5.7196468 1.94956817 3.53505206 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 40391-99-9 4674 170464689 F Pamidronic acid OC(CCN)(P(O)(=O)O)P(=O)(O)O Tox21_111664_1 -NCGC00263961-02 196705452 tox21-ror-cho-viability-p1 set1 4 -4.47619964 -6.97615274 -2.42318547 -2.28800462 -1.12323313 -2.24041497 2.39432096 2.04083781 -3.40798441 -4.5978007 1.17007422 -4.98509309 1.87680894 -1.55983141 -3.11394829 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104376-79-6 60196280 170465387 A Ceftriaxone disodium trihydrate [Na+].[Na+].O.O.O.Nc1scc(n1)\C(=N\OC)C(=O)N[C@@H]4C(=O)N3C(=C(CSC2=NC(=O)C([O-])=NN2C)CS[C@@H]34)C([O-])=O Tox21_111386_1 -NCGC00259853-01 196705856 tox21-ror-cho-viability-p1 set1 4 5.26847022 1.50005708 1.57391159 -6.42052199 5.64785692 -0.07010834 -0.45406252 -1.29765715 6.83650948 9.68265074 1.61846999 1.80584794 0.8664727 0.87747772 0.82348114 1.1989999999E-9 2.6809999999E-9 5.9959999999E-9 1.3409999999E-8 2.998E-8 6.703E-8 1.4989999999E-7 3.352E-7 7.495E-7 0.000001676 0.000003747 0.0000083789999999 0.000018739999999 0.000041899999999 0.00009368 142-04-1 8870 144209502 A A Aniline hydrochloride Cl.Nc1ccccc1 Tox21_202304 -NCGC00259563-01 196705867 tox21-ror-cho-viability-p1 set1 4 5.60814549 0.56920307 -5.48983587 3.58581318 0.29660093 3.30137087 2.11201199 3.27682565 -5.33459169 8.25418621 0.0442057 -0.4625201 -0.09384581 0.38300992 1.79485578 1.19E-9 2.661E-9 5.951E-9 1.331E-8 2.975E-8 6.653E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.000003719 0.000008317 0.0000186 0.00004158 0.00009298 79-92-5 6616 144209212 FNS Camphene CC2(C)C(=C)C1CCC2C1 Tox21_202014 -NCGC00256320-01 196707550 tox21-ror-cho-viability-p1 set1 4 21.6899429044 7.7952951159 -0.7952951159 7 4.9549173134 0.6232076876 0.0821169872 -3.16274593 -2.30297215 -0.30702011 -1.78168598 -1.15641011 0.95288325 -1.44269061 -1.95543752 -1.24209788 5.73837079 0.14532289 -1.79884476 1.89193671 7.59909692 6.13306878 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-56-9 5111791 144213128 A A 4-Nitro-1,2-phenylenediamine Nc1ccc(cc1N)[N+]([O-])=O Tox21_302811 -NCGC00256429-01 196707538 tox21-ror-cho-viability-p1 set1 4 10.8707224818 7.7092027799 -8.7092027799 -1 2.7202212143 0.3838201615 0.2881263974 -3.75980896 0.8238598 -11.53787644 -8.86294533 -13.1131333 -9.10953312 -8.41847449 -15.17433565 -8.85937282 -10.6321638 -6.50077535 -9.13829174 0.99466859 -0.92230398 -2.58508633 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6959-47-3 23392 144213050 A Ac 2-(Chloromethyl)pyridine hydrochloride Cl.ClCc1ccccn1 Tox21_302733 -NCGC00256549-01 196707539 tox21-ror-cho-viability-p1 set1 4 2.26872179 0.10577002 1.36972428 2.69378659 0.23290798 1.72457709 -0.03161492 0.97845701 2.02159164 -0.62469511 0.36948835 3.21553901 1.50559429 1.98101984 -0.18744366 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1825-21-4 15767 144213152 A Ac Pentachloroanisole Clc1c(OC)c(Cl)c(Cl)c(Cl)c1Cl Tox21_302835 -NCGC00256625-01 196707544 tox21-ror-cho-viability-p1 set1 4 -3.73995194 -0.64447968 -0.13393068 -5.27006544 0.8687735 -2.87279058 -0.72821074 -6.64836684 -0.83783166 -1.28409752 -6.10947308 -2.43243612 -2.13195185 -0.58360256 0.08844863 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-61-2 66678 144212823 A Ac 6-Methyl-1,2,3,4-tetrahydroquinoline Cc1ccc2NCCCc2c1 Tox21_302506 -NCGC00257266-01 196707556 tox21-ror-cho-viability-p1 set1 4 0.12161669 -2.96228521 -1.60299168 -10.21622595 -1.6106612 -13.69042903 -0.08173882 -0.92558387 -8.58365754 2.326916 0.37535392 3.11913921 1.93478031 -8.83629853 2.44187061 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67-47-0 237332 144213856 A A 5-(Hydroxymethyl)-2-furfural O=Cc1ccc(CO)o1 Tox21_303551 -NCGC00091261-03 196715276 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -19.6349518679 1 -18.6349518679 4.9549173134 0.8138780206 0.0059302124 3.05751663 -0.3156204 4.79679044 0.39745501 2.01203372 2.0678591 -1.62624556 -0.67676241 1.39178355 -1.32182168 -1.34255871 1.2470329 2.22849511 2.54306241 -15.11245989 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00254468-01 196714865 tox21-ror-cho-viability-p1 set2 4 -5.12731648 -2.03240714 -1.54337541 -3.47032126 -0.77174305 -3.69289415 0.13673124 -2.8774428 -4.10802279 0.18942082 -1.75318842 -3.84903304 0.71757338 2.19420703 -0.90234785 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-33-5 1183 144210670 A A 4-Hydroxy-3-methoxybenzaldehyde Oc1ccc(cc1OC)C=O Tox21_300352 -NCGC00254756-01 196714866 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -70.2298830908 -1.21953589 -71.4494189808 4.5044702849 0.9941446819 0 -2.59075361 -2.22010763 -1.50491695 -1.43560286 0.23563586 -0.52528524 0.48947082 -0.66270061 -3.58500533 -0.98762097 -0.83060558 0.23399228 -1.19265869 -8.01636929 -56.70588808 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-09-0 5974 144211170 A A Hexadecyltrimethylammonium bromide [Br-].C[N+](C)(C)CCCCCCCCCCCCCCCC Tox21_300853 -NCGC00254905-01 196715261 tox21-ror-cho-viability-p1 set2 4 0.0121971512 -6.89376038 -0.6238157119 -7.5175760919 3.0654483358 0.540229234 0.160950601 -0.33168171 -1.35781888 -0.10317976 -4.98041051 -5.64717703 -11.68131341 -10.91928613 -5.41145684 -3.60714324 -4.247362 -8.58811239 -7.67324397 -4.29904016 -11.36759655 -3.00982765 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23103-98-2 31645 144211320 A A Pirimicarb Cc1nc(nc(OC(=O)N(C)C)c1C)N(C)C Tox21_301003 -NCGC00258423-01 196715678 tox21-ror-cho-viability-p1 set2 4 1.08714142 -0.22401766 -0.12334718 -1.00052701 -1.73268008 -1.33122004 0.45916515 0.97539589 0.77177016 0.10712181 -0.41758074 0.73176204 0.76020434 -0.51937847 -2.28070902 1.167E-9 2.61E-9 5.836E-9 1.305E-8 2.918E-8 6.525E-8 1.459E-7 3.262E-7 7.295E-7 0.000001631 0.000003648 0.000008156 0.000018239999999 0.00004078 0.00009119 6225-06-5 80365 144208067 A A N,N-Dimethylpentanamide CN(C)C(=O)CCCC Tox21_200869 -NCGC00258503-01 196715687 tox21-ror-cho-viability-p1 set2 4 -0.03597678 -3.7253685 2.12446906 1.88706275 -0.73621916 1.12764995 0.04141198 -1.14512897 -3.19930834 0.16445564 0.48165841 -0.90213478 -3.29225305 1.13262204 -4.67464408 1.204E-9 2.693E-9 6.0219999999E-9 1.347E-8 3.011E-8 6.733E-8 1.5049999999E-7 3.366E-7 7.527E-7 0.000001683 0.0000037639999999 0.000008416 0.00001882 0.00004208 0.00009409 563-41-7 11236 144208148 Semicarbazide hydrochloride Cl.NC(=O)NN Tox21_200950 -NCGC00258606-01 196715693 tox21-ror-cho-viability-p1 set2 4 7.90962284 4.56506303 -0.59610977 2.23094219 0.18427653 4.92644501 -6.73902146 1.30602139 3.01021878 -0.56860818 -0.7524807 2.50845949 1.43032526 7.07035958 2.10142983 1.134E-9 2.5349999999E-9 5.669E-9 1.268E-8 2.835E-8 6.338E-8 1.4169999999E-7 3.169E-7 7.086E-7 0.0000015849999999 0.000003543 0.000007923 0.00001772 0.000039609999999 0.00008858 105-39-5 7751 144208251 D Ethyl chloroacetate ClCC(=O)OCC Tox21_201053 -NCGC00254190-01 196714456 tox21-ror-cho-viability-p1 set2 4 0.08996964 0.34482798 1.30215099 1.05902073 0.74949409 1.51522219 -2.1126074 0.47254685 -0.02701002 1.5064808 1.16260016 7.06095557 5.47511107 -0.12641599 4.17625631 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 116-25-6 67000 144210422 A D 1-(Hydroxymethyl)-5,5-dimethylhydantoin CC1(C)C(=O)NC(=O)N1CO Tox21_300102 -NCGC00183844-01 196713646 tox21-ror-cho-viability-p1 set2 1.1 0.0668242473 82.8914941875 -6.739362844 76.1521313435 3.5117481694 0.9896726834 1E-9 -7.26818456 -11.03280237 -5.80597864 -5.01240598 -3.67647271 -0.10651564 40.23247007 72.57806726 80.11747315 86.34028497 76.04973514 78.55870058 69.47529959 71.37954798 72.8523393 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127254-12-0 44341259 144206881 A A Sitafloxacin hydrate N[C@H]2CN(CC12CC1)c3c(F)cc4c(c3Cl)[N@@](C=C(C4=O)C(=O)O)C5C[C@H]5F Tox21_113330 -NCGC00254380-01 196714039 tox21-ror-cho-viability-p1 set2 -1.1 2.7306020303 -88.9392300876 -0.2439322219 -89.1831623095 3.0654483358 0.9960789624 0 0.7454657 1.42394323 -0.6040547 1.64283973 1.80602719 -0.87003292 -0.59097771 0.67144202 -8.25570685 -14.4921163 -64.41596656 -89.38906743 -90.63329503 -86.79501994 -85.37255477 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2155-70-6 16682828 144210727 A A Tributyltin methacrylate CCCC[Sn](CCCC)(OC(=O)C(=C)C)CCCC Tox21_300409 -NCGC00254021-01 196714043 tox21-ror-cho-viability-p1 set2 4 0.0685896219 -9.8946566919 0 -9.8946566919 3.5117481694 0.7537100461 0.0184842076 0.17214174 -2.28656799 2.51927498 0.15505367 0.13989091 -4.93284304 -8.30997916 -12.14411977 -13.64766555 -6.5260123 -7.9938191 -4.11867892 -13.66221391 -9.3505253 -13.32815681 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-50-7 1732 144210374 A A 4-Chloro-3-methylphenol Oc1ccc(Cl)c(C)c1 Tox21_300054 -NCGC00254808-01 196714458 tox21-ror-cho-viability-p1 set2 4 -2.30042266 0.44273079 -1.91790379 0.73331798 -1.9705895 -1.36527986 -1.35327184 -2.3153724 -1.48317894 -0.16424896 -1.91396957 -0.8446392 -0.79789568 0.8164807 2.28857444 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 74115-24-5 73670 144211221 A C Clofentezine Clc3ccccc3c1nnc(nn1)c2ccccc2Cl Tox21_300904 -NCGC00260073-01 196723912 tox21-ror-cho-viability-p1 set3 -1.1 4.3145127378 -90.6570380446 0.0969054279 -90.5601326167 3.1319983358 0.9821494245 2.46E-8 -6.22084491 -4.29423576 -4.47903032 -3.76603683 -4.21869461 -2.86069819 3.25208196 9.22083713 9.72115024 -0.01912206 -33.11581909 -87.36676277 -89.30979548 -87.93622199 -88.30696503 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.0000016459999999 0.00000368 0.000008228 0.000018399999999 0.000041139999999 0.000091989999999 115-09-3 409301 144209722 Methylmercuric(II) chloride C[Hg]Cl Tox21_202524 -NCGC00181755-01 196722632 tox21-ror-cho-viability-p1 set3 4 3.442586 6.87557968 14.18508232 5.73923044 1.17823356 6.30907932 -0.13081565 5.25683788 18.366571 10.61320817 13.47738404 7.34208997 3.08704973 12.89174935 0.26318896 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83435-67-0 5362115 144206480 D F Delapril hydrochloride Cl.O=C(OCC)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(CC(=O)O)C2Cc3ccccc3C2 Tox21_112927 -NCGC00253579-01 196723037 tox21-ror-cho-viability-p1 set3 4 2.70051706 9.16720096 -0.69207311 1.28988774 1.15240054 1.04981064 0.11352031 1.78552096 2.74264301 3.91845185 3.53891114 6.2567999 4.90369815 -7.17799278 7.83166414 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1986-53-4 16141 170465909 F A Bolandiol dipropionate CCC(=O)O[C@H]2CCC3C4CCC1(C)C(CC[C@@H]1OC(=O)CC)C4CCC3=C2 Tox21_113721 -NCGC00178851-03 196723040 tox21-ror-cho-viability-p1 set3 4 0.0595571731 -12.726422216 8 -4.726422216 3.9899729863 0.7897145524 0.0134604843 7.79895871 0.8400261 9.26661084 12.11756852 8.2374466 8.34943359 -2.05433213 -6.1615618 -4.71093051 -6.69567746 -5.77069099 -7.68868518 -2.61858629 1.49911805 15.70275692 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64953-12-4 441242 170465353 F Moxalactam disodium [Na+].[Na+].O=C3N1C(=C(CO[C@@H]1[C@]3(OC)NC(=O)C(c2ccc(O)cc2)C([O-])=O)CSc4nnnn4C)C([O-])=O Tox21_110793_1 -NCGC00091586-02 196723492 tox21-ror-cho-viability-p1 set3 4 0.649095651 -5.720178992 2 -3.720178992 4.9549173134 0.5832457636 0.1252275539 6.00048238 0.17608687 0 3.87137944 3.31732633 -0.61624102 1.58696245 1.7348164 -1.13545661 -9.35014916 -2.12372935 -3.66354148 -3.32401306 -1.11540655 -0.52765491 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00259141-01 196723893 tox21-ror-cho-viability-p1 set3 -2.1 30.1400227924 -74.0491181375 -2.352551232 -76.4016693695 3.2474983358 0.9665839921 8.932E-7 -5.78344901 -2.67739829 -7.91820284 -9.11626236 3.94044006 -6.45153873 2.27873682 -1.04507134 3.75498671 -1.971871 0.72486498 -0.30391341 -17.71165637 -55.3762054 -79.58507226 1.164E-9 2.602E-9 5.818E-9 1.301E-8 2.909E-8 6.5049999999E-8 1.4549999999E-7 3.252E-7 7.2729999999E-7 0.0000016259999999 0.000003636 0.000008131 0.00001818 0.000040659999999 0.00009091 143-50-0 299 144208790 A F Kepone O=C2C1(Cl)C3(Cl)C5(Cl)C1(Cl)C4(Cl)C2(Cl)C3(Cl)C4(Cl)C5(Cl)Cl Tox21_201592 -NCGC00357206-01 196723904 tox21-ror-cho-viability-p1 set3 4 -6.23556718 -1.45840014 -1.78142392 -0.95665002 5.20226586 5.91477182 2.27151007 4.05796387 -7.28084735 -4.77436403 -0.87995585 -4.09664326 -6.88973306 -0.30292342 1.80999089 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 707-61-9 69722 251919937 A 2,3-Dihydro-4-methyl-1-phenyl-1H-phosphole 1-oxide O=P1(C=C(C)CC1)c2ccccc2 Tox21_303982 -NCGC00178241-04 196697744 tox21-ror-cho-viability-p1 set1 4 29.8492948118 -20.35392088 2.5 -17.85392088 4.0949729863 0.8115996135 0.0062303322 1.13649855 2.27164597 4.20527449 2.16013465 5.13531193 0.0935386 3.4704361 8.36851301 0.53133408 3.18256249 0.0095854 1.34019633 0.88320826 -1.30432045 -14.8782674 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14096-51-6 170466890 F Dichloro(ethylenediamine)platinum(II) [Cl-][Pt]1([Cl-])NCCN1 Tox21_113466_1 -NCGC00262933-01 196697747 tox21-ror-cho-viability-p1 set1 4 2.56324879 2.56803906 0.77546755 1.83864976 1.78935419 1.84827202 0.02665884 -2.5278138 0.46614132 0.42217279 2.86341262 2.02391152 0.47256842 -2.62563601 -0.93701374 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2144-08-3 75064 170466775 A A 2,3,4-Trihydroxybenzaldehyde Oc1ccc(C=O)c(O)c1O Tox21_113928 -NCGC00179435-06 196697749 tox21-ror-cho-viability-p1 set1 4 0.45770544 -0.73006783 2.96657767 0.53564811 4.6732433 0.7920521 -3.84701354 -4.23491164 1.85221911 0.71038747 1.03480608 -0.11720116 -0.1322759 2.48140893 1.45289241 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3778-73-2 3690 170464854 A Ifomide O=P1(NCCCl)OCCCN1CCCl Tox21_110539_1 -NCGC00021304-05 196697751 tox21-ror-cho-viability-p1 set1 4 -7.35692744 -0.09108914 -3.09110741 0.18961153 -4.40542281 0.25513181 0.67385036 -0.19401508 0.59066506 1.01758295 2.25788226 1.55487565 1.0417989 -1.32201669 -0.02242943 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64-85-7 6166 170466468 A 21-Hydroxyprogesterone OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_110356_1 -NCGC00257530-01 196728196 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -19.9450539439 -1 -20.9450539439 4.0449729863 0.7492081864 0.0198974106 -2.11153339 1.93403131 1.64410965 -2.58593811 -0.18114076 -0.68598464 -3.50375698 -0.25039398 4.45237183 -0.91104957 -3.16433211 -4.55313813 -0.49049344 -3.1434324 -16.20421162 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 133-32-4 8617 144211604 A A Indole-3-butyric acid O=C(O)CCCc2cnc1ccccc12 Tox21_301287 -NCGC00255264-01 196728190 tox21-ror-cho-viability-p1 set3 -2.2 24.3365162115 -60.8519941399 1.0398839359 -59.812110204 0.7999999999 0.9711497254 3.889E-7 -0.71822735 4.75773547 -2.26331677 0.99957071 2.24431246 -0.01235307 1.80276187 -0.9238798 -1.43635742 -7.914885 -9.62340945 -18.17310191 -22.6633926 -32.42256664 -49.84342517 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 728-40-5 69765 144212067 A A 2,6-Di-tert-butyl-4-nitrophenol CC(C)(C)c1cc(cc(c1O)C(C)(C)C)[N+]([O-])=O Tox21_301750 -NCGC00255440-01 196728191 tox21-ror-cho-viability-p1 set3 4 0.0015355304 14.702030036 -13.702030036 1 4.9549173134 0.6473167864 0.0665192218 -10.58502503 0.24594618 4.41117592 0.73771205 -0.83949446 2.07924583 3.33937484 2.22297053 2.08815106 -0.84833556 3.61114341 0.63892139 0.56793093 -4.17121801 -1.43848313 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-63-4 7060 144212343 A Fns Quinaldine Cc1ccc2ccccc2n1 Tox21_302026 -NCGC00256726-01 196727433 tox21-ror-cho-viability-p1 set3 4 -1.02134753 -0.81288741 4.14363255 6.28423736 0.90290088 1.00031595 5.9072494 0.85357633 7.3163997 7.46192994 6.28357147 4.5972526 0.55246644 0.32946951 -1.09100952 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-17-5 7007 144212915 A A 2,2,2-Trichloro-1-phenylethyl acetate ClC(Cl)(Cl)C(OC(C)=O)c1ccccc1 Tox21_302598 -NCGC00257104-01 196726608 tox21-ror-cho-viability-p1 set3 4 -1.00426848 -2.20657729 1.45519215 2.77930734 3.34081915 2.33025903 -0.69027217 2.52981248 -0.90454107 -0.87319128 2.0667524 0.70350709 0.84839537 -1.5776538 1.09659667 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-09-4 16402 144213440 F Ac 1,6-Hexanediamine NCCCCCCN Tox21_303123 -NCGC00257112-01 196727018 tox21-ror-cho-viability-p1 set3 4 -0.68002635 3.21724681 0.32633471 1.02316716 0.10001574 2.61809788 -0.15859288 -0.71193683 0.54970185 0.88473607 0.68919914 0.85603001 2.02147117 2.3634152 1.57682153 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1563-38-8 15278 144213551 A A 2,3-Dihydro-2,2-dimethyl-7-benzofuranol Oc1cccc2CC(C)(C)Oc12 Tox21_303234 -NCGC00256611-01 196727020 tox21-ror-cho-viability-p1 set3 4 4.8557733675 4.641773436 0.358226564 5 4.9549173134 0.5527944601 0.1523433965 -0.1212345 -1.36814453 1.63282773 -0.78938411 0.6851475 0.31405559 2.30217839 1.02472993 -0.97820552 -0.55229072 0.02659875 9.02756495 2.5224084 3.55368431 1.17621764 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 110-43-0 8051 144213252 Fns 2-Heptanone CC(=O)CCCCC Tox21_302935 -NCGC00256766-01 196727435 tox21-ror-cho-viability-p1 set3 4 -0.15312435 0.66067524 2.4805435 1.13012204 1.81794839 -1.53929272 2.74713012 1.73207216 0.52796245 2.91051857 1.25358621 1.96260523 2.02789078 1.73188413 0.75469829 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10032-15-2 24838 144212916 A D Hexyl 2-methylbutanoate O=C(OCCCCCC)C(C)CC Tox21_302599 -NCGC00257466-01 196727446 tox21-ror-cho-viability-p1 set3 4 -1.65407004 0.67526919 1.51195976 3.06089249 -0.70821672 1.5296658 0.23479811 -0.86467284 -1.96025699 -1.30745427 2.83443261 -2.00624461 2.64872007 4.67811571 3.09058093 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.000003681 0.00000823 0.000018399999999 0.00004115 0.00009201 479500-35-1 11769095 144213701 A 1-Butyl-1-methylpyrrolidinium chloride [Cl-].CCCC[N+]1(C)CCCC1 Tox21_303389 -NCGC00091011-05 196727450 tox21-ror-cho-viability-p1 set3 1.1 19.3311819617 72.6354633373 2.7147395939 75.3502029312 2.2526478767 0.9757190378 1.451E-7 0.27627589 -2.23463918 3.38126639 0.38295427 5.21325344 0.23738336 8.13560081 4.34458589 6.016378 6.60826071 6.93039994 4.09297358 41.48155137 62.39476642 73.80229472 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00255822-01 196727854 tox21-ror-cho-viability-p1 set3 4 -1.36616879 -0.35397393 -2.41166925 -3.13364924 -0.49748785 -1.74813222 1.14874628 -3.58900116 -0.05348537 1.1842233 3.06983836 -6.7847258 -0.56271615 0.09472342 -1.00846613 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 5496-10-6 79635 144212511 A F 1-Aminocyclohexanecarbonitrile N#CC1(N)CCCCC1 Tox21_302194 -NCGC00255183-01 196727863 tox21-ror-cho-viability-p1 set3 4 -1.6506524 -1.22678589 -0.71623266 -1.22070821 -0.16936995 3.75586202 2.33349671 3.05651767 1.40170727 1.86814805 4.76013423 -2.63100222 1.91878587 -0.84126186 2.69716271 8.73E-11 1.9519999999E-10 4.3649999999E-10 9.76E-10 2.1819999999E-9 4.88E-9 1.091E-8 2.44E-8 5.4559999999E-8 1.2199999999E-7 2.7279999999E-7 6.1E-7 0.000001364 0.0000030499999999 0.00000682 25322-69-4 1030 144211758 CC Polypropylene glycol CC(O)CO Tox21_301441 -NCGC00257263-01 196707107 tox21-ror-cho-viability-p1 set1 4 0.83240411 0.85003677 -3.81771191 0.59581113 -0.23288115 2.42554347 -0.66272748 6.70872709 -3.16632313 -7.67252923 -3.67895657 -0.4566345 -0.2288001 -0.17772879 2.21974456 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 125-84-8 2145 144213805 A A Aminoglutethimide CCC1(CCC(=O)NC1=O)c2ccc(N)cc2 Tox21_303497 -NCGC00256886-01 196707109 tox21-ror-cho-viability-p1 set1 4 19.3311819617 -12.578670604 1.5 -11.078670604 1.8851180601 0.7865979302 0.0105076398 0.63848349 3.32677969 0.13250863 -0.09472279 2.26114479 2.41477082 -1.36253691 3.09649725 7.12922945 -1.05694864 0.06612806 0.64724745 -5.71698425 -7.83307649 -10.89889217 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 130-80-3 657220 144213030 A A Diethylstilbestrol dipropionate O=C(Oc1ccc(cc1)C(\CC)=C(/CC)c2ccc(OC(=O)CC)cc2)CC Tox21_302713 -NCGC00091657-02 196707112 tox21-ror-cho-viability-p1 set1 4 3.28303019 0.21641945 -0.94437594 0.11389678 0.91377366 -0.61129315 3.91342458 3.8731274 1.94763791 0.19058197 -1.05165228 0.38139919 0.77369424 0.03325788 3.34793122 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00259045-01 196709617 tox21-ror-cho-viability-p1 set2 4 -1.58337984 -3.92967374 -0.82939598 -0.84117212 -0.70006803 -1.0203706 -0.79174182 0.249139 -0.13568135 -1.04765863 -0.99054643 0.06128338 0.78844736 -0.28986496 5.16633737 1.1689999999E-9 2.615E-9 5.8469999999E-9 1.3069999999E-8 2.9239999999E-8 6.537E-8 1.462E-7 3.269E-7 7.309E-7 0.0000016339999999 0.0000036539999999 0.0000081709999999 0.00001827 0.00004086 0.000091359999999 106-91-2 7837 144208692 A A Glycidyl methacrylate CC(=C)C(=O)OCC1CO1 Tox21_201494 -NCGC00259522-01 196708809 tox21-ror-cho-viability-p1 set2 4 55.3703687255 -15.383880476 1.5 -13.883880476 4.4494702849 0.8029824779 0.0075824177 3.68315984 2.42774712 2.94985456 -1.13157216 -0.07993605 2.94912411 -0.62312762 0.35305243 0.13813675 3.0559527 -1.61871134 1.94919609 3.53907059 -1.62264917 -12.40323373 1.196E-9 2.6749999999E-9 5.981E-9 1.337E-8 2.9909999999E-8 6.6869999999E-8 1.4949999999E-7 3.344E-7 7.476E-7 0.0000016719999999 0.0000037379999999 0.0000083589999999 0.00001869 0.00004179 0.000093459999999 102-60-3 7615 144209171 A A N,N,N',N'-Tetrakis(2-Hydroxypropyl)ethylenediamine CC(O)CN(CC(C)O)CCN(CC(C)O)CC(C)O Tox21_201973 -NCGC00259274-01 196709213 tox21-ror-cho-viability-p1 set2 4 2.34555879 5.32411452 -0.10300982 2.57636342 -0.3962029 -0.78554113 -1.309065 -0.1588515 1.45600602 4.37128271 3.27631256 1.27496834 -42.4270562 3.27050323 4.93000795 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.551E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.000003662 0.0000081889999999 0.00001831 0.00004095 0.00009156 87-68-3 6901 144208923 Hexachloro-1,3-butadiene Cl/C(Cl)=C(\Cl)C(\Cl)=C(\Cl)Cl Tox21_201725 -NCGC00259436-01 196709225 tox21-ror-cho-viability-p1 set2 4 69.6372298062 12.489356524 0.010643476 12.5 3.9899729863 0.6679570697 0.0552456964 -0.25755778 0.8793914 0.58920323 -0.55700888 -3.32446377 1.33726642 0.18253638 0.80762737 -2.02410214 2.80201001 3.15081667 -1.17995354 1.02048564 1.42350421 9.44273218 1.195E-9 2.672E-9 5.975E-9 1.336E-8 2.988E-8 6.6809999999E-8 1.494E-7 3.34E-7 7.469E-7 0.0000016699999999 0.000003735 0.000008351 0.00001867 0.00004175 0.00009336 57-11-4 5281 144209085 A Ac Octadecanoic acid O=C(O)CCCCCCCCCCCCCCCCC Tox21_201887 -NCGC00259470-01 196709625 tox21-ror-cho-viability-p1 set2 4 -7.60949389 -7.58546749 -8.74615792 -23.90029623 -6.97420911 -1.3411425 -6.23797905 -6.46153695 -6.72041943 -0.63579494 -1.71719583 -6.5925022 -6.35977943 0.90638798 -1.88765171 1.2169999999E-9 2.7209999999E-9 6.083E-9 1.36E-8 3.042E-8 6.801E-8 1.521E-7 3.401E-7 7.604E-7 0.0000016999999999 0.0000038019999999 0.000008502 0.00001901 0.00004251 0.000095049999999 115-77-5 8285 144209119 A Ac Pentaerythritol OCC(CO)(CO)CO Tox21_201921 -NCGC00259194-01 196709631 tox21-ror-cho-viability-p1 set2 4 2.29277006 -0.14392539 -8.82875161 1.2906735 1.28649194 -0.05876829 1.59904509 0.18098227 -0.13992787 1.44475546 2.36454275 1.29421531 3.91309843 -4.97567316 0.61808384 1.159E-9 2.592E-9 5.795E-9 1.2959999999E-8 2.898E-8 6.479E-8 1.449E-7 3.24E-7 7.244E-7 0.00000162 0.000003622 0.000008099 0.000018109999999 0.00004049 0.000090549999999 372-09-8 9740 144208843 A A Cyanoacetic acid N#CCC(=O)O Tox21_201645 -NCGC00255160-01 196710033 tox21-ror-cho-viability-p1 set2 4 -0.52077796 -5.34594243 -9.92444553 -9.53657816 -3.63867237 -5.68314808 0.78751529 -5.57344623 -3.56011492 -3.82089888 -0.88664392 -0.15508265 0.48705294 -5.92105683 -4.14657448 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 112-12-9 8163 144211702 A Ac 2-Undecanone CC(=O)CCCCCCCCC Tox21_301385 -NCGC00256091-01 196710035 tox21-ror-cho-viability-p1 set2 4 -2.08506514 -4.30186285 0.55759608 -8.84043539 0.08110247 0.76328284 -1.21079597 -7.82606796 1.86942753 -1.16589733 0.27961889 -4.13131288 1.10797738 -0.73976149 -0.73561416 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1484-84-0 15144 144212005 A A 2-(Piperidin-2-yl)ethanol OCCC1CCCCN1 Tox21_301688 -NCGC00091261-03 196710054 tox21-ror-cho-viability-p1 set2 4 4.98395812 0.3671969 1.07364536 0.98894436 -1.25603397 2.25139756 1.11037919 -1.72584896 2.22600508 1.1645884 -1.717601 -2.020405 1.66336983 2.23558541 0.49850315 1.1699999999E-9 2.6159999999E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.539E-8 1.462E-7 3.269E-7 7.311E-7 0.000001635 0.0000036549999999 0.000008173 0.00001828 0.000040869999999 0.00009138 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00244579-01 196710057 tox21-ror-cho-viability-p1 set2 -2.4 68.5896218971 -27.4079002 1.5 -25.9079002 4.9549173134 0.9605224688 0.0000023016 2.1859335 1.10463786 1.49054136 1.95902198 0.60456903 -0.53581293 -1.36817144 2.01366252 0.87196804 2.01308786 1.77624607 2.33555586 0.77193877 0.92600624 -20.7565835 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00244579-01 196715708 tox21-ror-cho-viability-p1 set2 -2.1 54.4826732819 -79.5748536242 0.738834337 -78.8360192872 2.8472712143 0.9916787508 3E-10 2.70915701 0.79306868 0.19928133 0.38524144 -3.15557193 1.34497724 0.16307447 2.96097321 2.38576942 2.96315717 -0.24036421 0.35600733 -3.66181122 -22.85824998 -64.64849946 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00258586-01 196715712 tox21-ror-cho-viability-p1 set2 4 0.62149671 -3.90719929 0.00890695 0.82251096 0.43439949 -5.50846155 -4.24728267 -8.25685117 -0.94626546 -3.5914186 -0.40606979 -3.39350426 1.08912093 1.06623528 -0.34369014 1.22E-9 2.7269999999E-9 6.098E-9 1.3639999999E-8 3.049E-8 6.818E-8 1.525E-7 3.409E-7 7.623E-7 0.000001705 0.0000038109999999 0.000008523 0.000019059999999 0.00004261 0.00009529 587-63-3 98356 144208231 A A Dihydrokavain O=C2C=C(CC(CCc1ccccc1)O2)OC Tox21_201033 -NCGC00258141-01 196715289 tox21-ror-cho-viability-p1 set2 4 10.8596684482 -14.25156802 1 -13.25156802 3.1319983358 0.9712927748 3.823E-7 -0.01335341 0.63716186 0.97759721 0.86243582 0.85073999 0.23625114 -0.01245728 0.96435059 1.91013149 2.14700997 0.8313232 -3.33874454 -11.796115 -14.79297335 -11.28955234 1.179E-9 2.6359999999E-9 5.8929999999E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.294E-7 7.367E-7 0.0000016469999999 0.0000036829999999 0.000008236 0.00001842 0.000041179999999 0.00009208 448245-52-1 11171745 144207785 A A 1-Butyl-3-methylimidazolium dicyanamide CCCCn1cc[n+](C)c1.N#C\N=C=[N-] Tox21_200587 -NCGC00258608-01 196715292 tox21-ror-cho-viability-p1 set2 4 1.47307363 2.56744159 1.79185175 1.38926785 3.74980781 1.96244338 2.5387492 4.6045411 5.24208374 4.7739545 1.71665655 5.29275161 2.91230015 1.16454196 1.67542319 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.365E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.00004117 0.00009206 70831-56-0 5281764 144208253 A A L-Cichoric acid Oc2ccc(/C=C/C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O)cc2O Tox21_201055 -NCGC00258778-01 196715721 tox21-ror-cho-viability-p1 set2 -1.2 4.4148077636 -49.7790182815 -1.425644438 -51.2046627195 1.8851180601 0.9836364527 1.48E-8 1.00674024 0.22487721 0.10684768 -1.58394701 -1.13154617 0.29721628 -1.62255163 -4.86752217 -5.00399148 -11.28415589 -17.24188883 -37.61000907 -53.24970414 -50.25070412 -47.54900139 1.09E-9 2.438E-9 5.452E-9 1.2189999999E-8 2.7259999999E-8 6.095E-8 1.363E-7 3.048E-7 6.815E-7 0.000001524 0.0000034069999999 0.0000076189999999 0.00001704 0.0000381 0.00008518 55981-09-4 41684 144208424 C D Nitazoxanide O=C(Nc1ncc(s1)[N+]([O-])=O)c2ccccc2OC(C)=O Tox21_201226 -NCGC00257614-01 196716119 tox21-ror-cho-viability-p1 set2 4 -1.2138513 -0.98533011 -0.94448815 -4.7500971 -0.93238318 -0.89139138 -5.34351862 -2.81443181 -0.44488976 -2.5553513 -3.32194196 -0.61096879 1.22684251 -1.44028404 1.88499195 1.218E-9 2.7239999999E-9 6.092E-9 1.3619999999E-8 3.046E-8 6.811E-8 1.5229999999E-7 3.405E-7 7.6149999999E-7 0.000001703 0.0000038069999999 0.0000085139999999 0.000019039999999 0.00004257 0.00009518 75-97-8 6416 144207258 FNS 3,3-Dimethyl-2-butanone CC(C)(C)C(C)=O Tox21_200060 -NCGC00258038-01 196716121 tox21-ror-cho-viability-p1 set2 4 -1.23390435 -1.26798345 -1.42272172 -4.67043191 2.4619659 1.30002154 -1.38778609 -0.37371057 -0.47408722 -2.27103947 -1.36064256 -1.47860433 -1.77353107 2.82986199 1.60330272 1.144E-9 2.5579999999E-9 5.721E-9 1.2789999999E-8 2.8599999999E-8 6.396E-8 1.4299999999E-7 3.1979999999E-7 7.1509999999E-7 0.0000015989999999 0.000003575 0.000007995 0.000017879999999 0.000039979999999 0.00008939 7791-25-5 24648 144207682 Sulfuryl chloride ClS(Cl)(=O)=O Tox21_200484 -NCGC00257981-01 196716122 tox21-ror-cho-viability-p1 set2 4 5.81795737 5.15329122 3.20935904 3.32679393 -1.78768648 6.44511154 0.657769 -5.444087 -5.9704573 2.38748671 0.19792025 1.93080365 4.80547839 -0.4144962 6.13686095 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 84-77-5 6788 144207625 AC A Didecyl phthalate O=C(OCCCCCCCCCC)c1ccccc1C(=O)OCCCCCCCCCC Tox21_200427 -NCGC00258253-01 196716125 tox21-ror-cho-viability-p1 set2 4 -8.48749667 -9.5415402 -10.96225537 -10.50973614 -9.11595809 -6.98538386 -6.90333266 -7.86620754 -9.56301724 -11.54798295 -9.99102311 -7.884769 -2.82393668 -4.48256713 -3.06114235 1.194E-9 2.6689999999E-9 5.968E-9 1.3339999999E-8 2.9839999999E-8 6.672E-8 1.4919999999E-7 3.3359999999E-7 7.4599999999E-7 0.000001668 0.00000373 0.00000834 0.00001865 0.0000417 0.000093249999999 52-89-1 60960 144207897 A F l-Cysteine hydrochloride Cl.O=C(O)[C@@H](N)CS Tox21_200699 -NCGC00257875-01 196716533 tox21-ror-cho-viability-p1 set2 4 -3.32662482 0 0.50659863 0.84937359 -2.24947606 -2.06577423 -1.09267834 -2.40510305 -2.63196234 -0.66212125 -0.2574868 -0.84660255 0.26451817 1.08490026 2.39935186 1.175E-9 2.626E-9 5.873E-9 1.3129999999E-8 2.936E-8 6.566E-8 1.468E-7 3.2829999999E-7 7.341E-7 0.000001641 0.0000036699999999 0.000008207 0.00001835 0.00004104 0.00009176 50-79-3 5784 144207519 A A 2,5-Dichlorobenzoic acid OC(=O)c1cc(Cl)ccc1Cl Tox21_200321 -NCGC00258578-01 196716538 tox21-ror-cho-viability-p1 set2 4 5.1024698 0.14411642 0.20431668 2.33634953 1.44717717 5.85333705 1.18160854 3.67734202 1.12422629 1.44743349 1.27533836 0.08558779 0.84991689 1.81333856 0.62168791 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.6E-8 1.476E-7 3.3E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.00004125 0.000092239999999 95-78-3 7259 144208223 A A 2,5-Dimethylaniline Cc1cc(N)c(C)cc1 Tox21_201025 -NCGC00090686-07 196716552 tox21-ror-cho-viability-p1 set2 4 3.2224708 2.51984897 0.29257932 0.52733487 1.9310841 0.59807809 3.94490046 -0.29197972 2.61500668 2.02888627 0.34821178 0.37202088 -0.88912269 0.36422436 -0.1335521 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00256270-01 196700252 tox21-ror-cho-viability-p1 set1 4 0.0013685429 9.175451604 -6.675451604 2.5 0.5 0.3505557969 0.3250792235 -3.89620967 -0.08592824 1.98317265 0.5660751 -2.66910411 1.21650585 0.18047886 4.5800024 0.49072732 6.12294246 1.58973693 0.41189978 2.43823603 4.15289921 0.68185943 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-27-7 66609 144211718 A Fc 2,6-Di-tert-butyl-4-[(dimethylamino)methyl]phenol CC(C)(C)c1cc(cc(c1O)C(C)(C)C)CN(C)C Tox21_301401 -NCGC00091210-02 196699415 tox21-ror-cho-viability-p1 set1 4 30.6378586933 -12.932085908 3 -9.932085908 0.8999999999 0.7224508206 0.0293243011 2.89046214 4.33415208 0.91331695 1.80457172 7.70836402 2.35077258 0.50155313 2.2833214 0.21223144 3.83154503 0.36451231 0.06982914 -0.74186243 -5.00641521 -6.61007159 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00254948-01 196699422 tox21-ror-cho-viability-p1 set1 4 -0.52962579 3.45145058 2.63600463 3.93082076 2.80848825 2.86792249 4.78192852 -0.47303788 -0.55681705 3.33207021 0.68206748 3.65187476 9.48643812 2.66417202 3.85514486 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 135410-20-7 213021 144211363 A A Acetamiprid Clc1ccc(CN(C)C(/C)=N\C#N)cn1 Tox21_301046 -NCGC00254573-01 196699836 tox21-ror-cho-viability-p1 set1 4 76.9588215421 8.0173826279 -0.0173826279 8 4.5044702849 0.388416198 0.2896310618 2.42895764 0.60827567 0.17732067 -5.43115219 0.81739006 0.00500059 -0.10089233 0.56578244 0.04983657 -0.14073361 -2.61624894 0.98831904 1.78250241 0.36460186 5.55224751 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2876-78-0 17891 144210982 A A Methyl 1-naphthaleneacetate O=C(OC)Cc2cccc1ccccc12 Tox21_300665 -NCGC00256045-01 196700254 tox21-ror-cho-viability-p1 set1 4 0.3442962 -0.38498768 -7.55010356 -0.30052052 -1.59253753 -4.36115542 0.2125824 -0.37934977 -0.20136111 -11.39798339 0.79649406 -0.08280775 0.50422721 -2.14444874 1.0834998 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18039-42-4 87425 144212001 A A 5-Phenyl-1H-tetrazole c1ccc(cc1)c2nnnn2 Tox21_301684 -NCGC00257538-01 196700649 tox21-ror-cho-viability-p1 set1 4 2.34640687 0.90736186 0.63786522 -0.51345595 -0.83232074 1.13349444 -1.51925168 0.65333326 1.7810032 0.06948205 1.81830065 2.71086061 -0.08339309 6.03194694 1.70753586 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 75-64-9 6385 144211606 FNS tert-Butylamine CC(C)(C)N Tox21_301289 -NCGC00254369-01 196699012 tox21-ror-cho-viability-p1 set1 4 0.21005081 1.22675708 0.0214346 1.74241515 0.74775785 -4.75483358 -3.02611785 1.71282632 -2.0403242 -1.69948619 -3.30545198 1.12621527 -1.25036696 1.79112687 -2.50904889 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 621-64-7 12130 144210706 A Ac N-Nitrosodipropylamine CCCN(CCC)N=O Tox21_300388 -NCGC00015501-09 196698598 tox21-ror-cho-viability-p1 set1 4 2.9229124 6.77848696 0.24239152 0.17154312 4.84027739 5.81230839 2.37836211 0.40596823 2.77079675 1.9292362 2.48183147 -1.4095184 3.66582167 -0.41377504 2.29340194 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 304-20-1 9351 170464806 Z Apresoline Cl.NNc2nncc1ccccc12 Tox21_110163_1 -NCGC00160649-02 196698607 tox21-ror-cho-viability-p1 set1 4 0.57936047 -0.91992453 0.493265 -2.11002399 -7.63924344 0.35101878 0.79620652 -0.62958602 2.17211464 -7.12529952 -2.49932597 0.01940913 2.44656686 1.39475219 -0.31827396 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 664-95-9 12628 170466322 A Glycyclamide O=C(NC1CCCCC1)NS(=O)(=O)c2ccc(C)cc2 Tox21_111956_1 -NCGC00091468-02 196699009 tox21-ror-cho-viability-p1 set1 4 0.17501726 0.08657464 1.078424 0.71569477 -4.19237619 -2.18874627 4.05499825 0.19836208 1.62265175 -0.12049807 -1.90595289 1.88145717 -2.05839643 -1.64426557 4.05138996 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00254437-01 196699028 tox21-ror-cho-viability-p1 set1 4 -0.68109693 1.72252393 0.29524749 -0.12624186 1.57332399 -7.70496187 -0.80028542 0.40521405 1.10297454 1.42227876 -0.01569381 1.31127956 1.12703454 -4.925134 1.84329116 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 334-48-5 2969 144210684 A A Decanoic acid O=C(O)CCCCCCCCC Tox21_300366 -NCGC00254125-01 196699429 tox21-ror-cho-viability-p1 set1 4 61.130564862 -12.146742484 2.5 -9.646742484 4.9549173134 0.4896017621 0.1891957699 -0.19045859 0.23772702 -0.49102356 1.4183765 0.18286486 0.78206798 7.76565977 5.90502025 2.5864064 5.971094 1.40795169 0.23143894 7.0632065 0.77396742 -8.03895207 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-18-6 6923 144210331 A A 2-tert-Butylphenol CC(C)(C)c1ccccc1O Tox21_300011 -NCGC00257528-01 196699431 tox21-ror-cho-viability-p1 set1 4 3.64903581 -0.84909795 -2.62665119 -2.96002486 -1.48673026 0.09727762 0.23645542 -1.42030876 0.26930383 0.02628322 -4.56307412 -3.21570325 1.2199614 2.60108478 5.37150626 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25899-50-7 6433944 144211454 FC (2Z)-2-Pentenenitrile CC\C=C/C#N Tox21_301137 -NCGC00258519-01 196729936 tox21-ror-cho-viability-p1 set3 4 2.82807203 3.0545196 -4.08128216 -5.19989774 2.59269695 1.72178635 0.57903459 0 -15.08018883 0 0 0 -7.15323431 -6.88200033 -2.38904973 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.961E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008275 0.0000185 0.00004138 0.000092519999999 393-75-9 9809 144208164 A Fc 2-Chloro-1,3-dinitro-5-(trifluoromethyl)benzene O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1Cl)C(F)(F)F Tox21_200966 -NCGC00255391-01 196729117 tox21-ror-cho-viability-p1 set3 -1.1 15.3553036427 -63.3924945309 11.7519993375 -51.6404951934 2.2526478767 0.9381048635 0.0000266853 22.63290687 17.86902107 5.01126397 6.94403137 6.15407864 7.18969321 11.81736363 9.19247687 16.911815 5.63856753 15.80888407 1.47390459 -32.16220552 -40.87921803 -52.40707988 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2492-26-4 3714831 144211819 A A Sodium 2-mercaptobenzothiolate [Na+].[S-]c1nc2ccccc2s1 Tox21_301502 -NCGC00257841-01 196729518 tox21-ror-cho-viability-p1 set3 4 -3.61965424 -1.30038189 0.30226616 0.55184732 -3.27948696 -3.08762015 -2.34368681 0 0 -2.61493962 0 -2.90417293 2.52249961 0.50133332 -0.70880552 1.164E-9 2.602E-9 5.818E-9 1.301E-8 2.909E-8 6.5039999999E-8 1.454E-7 3.252E-7 7.2719999999E-7 0.0000016259999999 0.000003636 0.00000813 0.00001818 0.00004065 0.0000909 119-39-1 8394 144207485 FNS 1(2H)-Phthalazinone O=C1NN=Cc2ccccc12 Tox21_200287 -NCGC00258364-01 196729937 tox21-ror-cho-viability-p1 set3 4 0.74722898 -1.62493625 -1.72497871 3.06748626 2.08948589 2.02883787 0.78549639 -2.15252111 3.36418024 2.14728704 1.11331271 2.54745932 -3.4506241 -0.06809087 0.95109681 1.226E-9 2.742E-9 6.132E-9 1.371E-8 3.066E-8 6.8559999999E-8 1.5329999999E-7 3.4279999999E-7 7.6649999999E-7 0.0000017139999999 0.000003833 0.00000857 0.00001916 0.00004285 0.000095819999999 97-63-2 7343 144208008 FC Ethyl methacrylate C=C(C)C(=O)OCC Tox21_200810 -NCGC00258302-01 196729939 tox21-ror-cho-viability-p1 set3 4 -5.3189378 1.11487999 -0.56546688 0.26900132 1.08061357 1.70113617 -4.13975814 0.51738856 1.43261701 3.61674401 1.06116866 2.0050312 -0.34591722 0.68260397 0.80247585 1.155E-9 2.582E-9 5.7739999999E-9 1.291E-8 2.887E-8 6.4549999999E-8 1.443E-7 3.2279999999E-7 7.217E-7 0.000001614 0.0000036089999999 0.000008069 0.000018039999999 0.00004035 0.00009022 23783-42-8 90263 144207946 A A 2,5,8,11-Tetraoxatridecan-13-ol COCCOCCOCCOCCO Tox21_200748 -NCGC00259692-01 196722123 tox21-ror-cho-viability-p1 set3 4 -2.46464336 -2.13598795 2.74414343 -2.03438263 -3.43483367 -3.61400189 -1.85402215 -4.58353715 -1.31652846 -2.61621379 -5.17730481 -2.02297966 -2.931858 1.85255034 1.67066518 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.000092909999999 100-64-1 7517 144209341 A A Cyclohexanone oxime O\N=C1/CCCCC1 Tox21_202143 -NCGC00259587-01 196722111 tox21-ror-cho-viability-p1 set3 4 -8.82943294 -4.34830305 -4.04647565 2.87858467 -3.44860032 -2.42173082 -6.80162544 -3.98747366 -8.80384511 -5.50166101 -3.40745084 -6.34310155 -1.24737733 -3.82042593 -19.45522822 1.27E-9 2.839E-9 6.348E-9 1.42E-8 3.174E-8 7.098E-8 1.587E-7 3.549E-7 7.9349999999E-7 0.0000017739999999 0.000003968 0.0000088719999999 0.00001984 0.000044359999999 0.000099189999999 107-21-1 174 144209236 A Ac Ethylene glycol OCCO Tox21_202038 -NCGC00259280-01 196722115 tox21-ror-cho-viability-p1 set3 4 -3.71669838 -1.71401659 -1.17476993 5.58995489 -8.19750984 -8.14619276 -4.36130156 -7.86821801 -8.46527762 -3.22615066 -6.27792443 -2.52989328 -6.77317154 1.46914117 0.73830969 1.2689999999E-9 2.8379999999E-9 6.345E-9 1.4189999999E-8 3.1719999999E-8 7.094E-8 1.5859999999E-7 3.547E-7 7.931E-7 0.0000017729999999 0.000003966 0.000008867 0.000019829999999 0.00004434 0.000099139999999 23135-22-0 31657 144208929 A A Oxamyl O=C(C(=N\OC(=O)NC)\SC)N(C)C Tox21_201731 -NCGC00259019-01 196722117 tox21-ror-cho-viability-p1 set3 4 -5.72244696 -4.70265638 -4.96620944 0.20037749 -8.08901353 -5.56133064 -5.16511143 -4.44918098 -3.43590732 -0.41410611 -2.13182585 -3.44620966 -4.81999433 -3.0648678 -4.81747109 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.61E-8 1.4779999999E-7 3.305E-7 7.3899999999E-7 0.0000016519999999 0.0000036949999999 0.000008262 0.000018469999999 0.00004131 0.00009237 989-51-5 65064 144208666 A B (-)-Epigallocatechin gallate Oc1cc(cc(O)c1O)C(=O)O[C@@H]3Cc2c(cc(O)cc2O)O[C@@H]3c4cc(O)c(O)c(O)c4 Tox21_201468 -NCGC00259659-01 196722126 tox21-ror-cho-viability-p1 set3 4 0.0013782908 11.90447334 -13.90447334 -2 0.7 0.574116334 0.1195074571 -9.92039445 -5.38482145 -5.6145572 -3.34313368 -2.8121868 0.12602791 -3.05247262 -5.58052965 -1.59384924 -1.62309662 -4.89910832 -0.93951537 -2.29394854 -1.55602642 -3.78102235 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.9669999999E-8 6.635E-8 1.484E-7 3.318E-7 7.4179999999E-7 0.000001659 0.000003709 0.000008294 0.00001855 0.000041469999999 0.00009273 57-66-9 4911 144209308 A A Probenecid O=S(=O)(N(CCC)CCC)c1ccc(cc1)C(=O)O Tox21_202110 -NCGC00091483-03 196722513 tox21-ror-cho-viability-p1 set3 -3 61.130564862 -51.5641646179 0.1500908219 -51.414073796 3.2474983358 0.873305041 0.0010232811 -0.17037911 -4.11663225 1.26323294 -3.44952316 -2.80299185 -0.49241854 -2.92235633 -0.48913141 3.25818656 6.05512058 7.65509648 5.95967249 -7.55419213 -9.42843243 -40.8439953 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00260596-01 196711304 tox21-ror-cho-viability-p1 set2 4 0.0105909295 -8.80284966 -0.5 -9.30284966 2.1210667061 0.3480673289 0.3376050457 -0.38947513 -0.03159318 -0.74197554 -5.0953109 -2.80519473 -12.9218688 -9.5734569 -18.58570805 -6.56150101 -10.5745697 -5.2216285 0 -16.85758837 -3.44782385 9.3261857 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49492 144210249 M M NTP Mix35 CT1 1-EQP Tox21_203051 -NCGC00357030-01 196711299 tox21-ror-cho-viability-p1 set2 4 -30.52071534 -18.77325889 -8.73469992 -3.84846419 -3.21692991 -0.73331398 -2.5305674 -7.77805658 -2.39198628 -11.86888622 -1.36241799 -6.4050135 -26.28016422 -1.17459302 -2.49069165 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2235-43-0 16697 251919702 Fns [Nitrilotris(methylene)]tris-phosphonic acid pentasodium salt [Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)(O)CN(CP(=O)([O-])[O-])CP([O-])([O-])=O Tox21_303716 -NCGC00260387-01 196711701 tox21-ror-cho-viability-p1 set2 -2.4 21.8002774318 -52.3147196549 -4.288091775 -56.6028114299 0.8999999999 0.6326472612 0.0870616131 -5.17100923 -9.71059324 -7.68366679 -9.98115167 -4.76005625 -9.63171771 -1.32869016 -17.23649968 -6.23547387 -11.56005445 -13.42966922 0 -39.45084029 -42.88091775 -7.3175293 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.962E-8 6.622E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 525-76-8 68236 144210039 F A 4H-3,1-Benzoxazin-4-one,2-methyl- CC2=Nc1ccccc1C(=O)O2 Tox21_202841 -NCGC00260548-01 196711706 tox21-ror-cho-viability-p1 set2 1.4 0.0004713477 17.160305428 -15.660305428 1.5 4.9549173134 0.7388438329 0.0230017004 -15.96692119 -14.98044687 -14.78641117 -0.51854089 -0.661352 3.9405686 -1.94027015 -3.10875371 -0.68718243 -2.41610397 3.19079842 -2.01463464 1.26847294 4.9167233 13.37696468 5.881E-11 1.3149999999E-10 2.9399999999E-10 6.575E-10 1.4699999999E-9 3.288E-9 7.351E-9 1.644E-8 3.676E-8 8.219E-8 1.838E-7 4.1089999999E-7 9.189E-7 0.000002055 0.000004594 87-82-1 6905 144210201 F Hexabromobenzene Brc1c(Br)c(Br)c(Br)c(Br)c1Br Tox21_203003 -NCGC00257625-01 196711710 tox21-ror-cho-viability-p1 set2 -3 77.6637265632 -98.693364514 -8.527572932 -107.220937446 4.9549173134 0.8247404886 0.0045072008 -1.50507782 -10.95006684 -27.47257131 -7.02183967 -4.74567624 -18.14137967 -5.61075754 -12.63037827 0 -5.36449626 -5.13255284 -25.95397835 0.17974722 -5.59412437 -85.0959821 1.189E-9 2.6589999999E-9 5.945E-9 1.3289999999E-8 2.9719999999E-8 6.647E-8 1.486E-7 3.323E-7 7.4309999999E-7 0.000001662 0.000003716 0.0000083079999999 0.000018579999999 0.00004154 0.00009289 434-07-1 5281034 144207269 A A Oxymetholone O=C3C[C@@H]4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@]1(C)O)[C@@]4(C)C\C3=C\O Tox21_200071 -NCGC00260166-01 196712118 tox21-ror-cho-viability-p1 set2 4 -0.69794723 1.45570625 3.54581111 0.85329981 -0.61591105 1.08309321 2.27307813 2.98168748 -0.82173187 2.50793243 2.31840919 -0.49308974 -1.5353197 -0.30759663 1.53053093 1.194E-9 2.67E-9 5.9699999999E-9 1.335E-8 2.985E-8 6.6739999999E-8 1.4919999999E-7 3.337E-7 7.4619999999E-7 0.000001669 0.0000037309999999 0.000008343 0.00001866 0.00004171 0.00009328 65039-05-6 11448496 144209816 A 1-Butyl-3-methylimidazolium iodide [I-].CCCCn1cc[n+](C)c1 Tox21_202618 -NCGC00259641-01 196706746 tox21-ror-cho-viability-p1 set1 4 54.5935042736 -8.840356644 3.5 -5.340356644 2.9522712143 0.3762237933 0.2982453783 3.87736909 5.14753959 3.03244362 4.82176239 -0.45200042 1.13420755 3.60098754 0.00913441 5.80583712 9.14147257 1.23759408 4.42724073 1.88408308 0.98163885 -3.61696387 1.182E-9 2.6429999999E-9 5.91E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.304E-7 7.387E-7 0.0000016519999999 0.0000036939999999 0.000008259 0.000018469999999 0.000041299999999 0.00009234 113-92-8 5284366 144209290 A A Chlorpheniramine maleate [O-]C(=O)\C=C/C(=O)O.Clc1ccc(cc1)C(CC[NH+](C)C)c2ccccn2 Tox21_202092 -NCGC00259474-01 196706333 tox21-ror-cho-viability-p1 set1 4 0.5487074576 29.4686359759 -19.4686359759 10 0.2 0.4599227934 0.2319537022 -16.64052998 -6.82853818 -12.58191904 -11.8859436 -3.22240395 -7.07846854 -11.10615391 -4.47297709 1.21865404 -15.01924799 3.20087021 -1.78800521 -3.29897406 6.62203415 -4.81909636 1.187E-9 2.6549999999E-9 5.937E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.3189999999E-7 7.421E-7 0.000001659 0.0000037099999999 0.000008297 0.00001855 0.000041479999999 0.00009276 121-33-5 1183 144209123 A A 4-Hydroxy-3-methoxybenzaldehyde Oc1ccc(cc1OC)C=O Tox21_201925 -NCGC00258860-01 196706744 tox21-ror-cho-viability-p1 set1 4 7.7820517375 11.6260197519 -10.6634661199 0.962553632 0.3 0.3669314619 0.3054706659 -12.51221001 -5.35112547 -8.70469521 -14.7195551 -6.7365173 -7.73461138 -6.19842564 -7.47760483 -2.49069491 -12.98816948 -6.11863308 -2.96196399 -4.20464948 -2.11453864 -3.51307064 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.976E-8 6.656E-8 1.4879999999E-7 3.3279999999E-7 7.441E-7 0.0000016639999999 0.000003721 0.000008319 0.0000186 0.0000416 0.00009301 93-68-5 7154 144208506 A B N-(2-Methylphenyl)-3-oxobutanamide O=C(Nc1ccccc1C)CC(C)=O Tox21_201308 -NCGC00259934-01 196706745 tox21-ror-cho-viability-p1 set1 4 23.990442614 -4.9436899919 2.5 -2.4436899919 4.9549173134 0.4606039526 0.2185669228 3.10420349 5.4062781 3.97148453 0.59581254 7.53776462 0.9101876 2.18253682 1.83581599 -0.23923667 3.40455905 0.8770958 3.11311267 1.53754094 -2.86974166 -2.1402306 1.166E-9 2.6069999999E-9 5.829E-9 1.303E-8 2.9139999999E-8 6.517E-8 1.457E-7 3.2579999999E-7 7.286E-7 0.000001629 0.0000036429999999 0.000008146 0.00001821 0.00004073 0.00009107 80-43-3 6641 144209583 A A Dicumyl peroxide CC(C)(OOC(C)(C)c1ccccc1)c2ccccc2 Tox21_202385 -NCGC00257166-01 196707563 tox21-ror-cho-viability-p1 set1 4 4.35169052 4.48973666 3.80995509 4.67850093 -2.18444465 0.39658876 6.6570841 2.48447561 5.97470873 0.78845567 4.1527031 5.10633908 3.55053617 -2.07816836 3.4244867 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-57-6 15909 144213539 A A Methyl styryl ketone CC(=O)C=Cc1ccccc1 Tox21_303222 -NCGC00256895-01 196707578 tox21-ror-cho-viability-p1 set1 4 2.96485136 2.24525689 0.33936194 -0.86347604 0.48818187 1.73017547 4.62278193 3.58237085 0.1435284 -1.79668915 0.77098169 1.40888794 2.01104059 0.41036296 3.12437466 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-12-9 31286 144212863 A A Octanenitrile CCCCCCCC#N Tox21_302546 -NCGC00247671-01 196717785 tox21-ror-cho-viability-p1 set2 4 0.5303868 -4.68083883 -1.86273725 -4.31113446 -3.58861713 -8.19908222 3.58816068 -1.49964191 -5.5976485 -7.72849514 -4.71722914 0.40597983 -4.80215601 -4.63049943 2.06479771 1.158E-9 2.5899999999E-9 5.792E-9 1.2949999999E-8 2.896E-8 6.4759999999E-8 1.448E-7 3.238E-7 7.241E-7 0.0000016189999999 0.00000362 0.000008095 0.0000181 0.000040479999999 0.00009051 29493-77-4 3058503 144206371 A A (4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine NC1=N[C@H](C)[C@@H](O1)c2ccccc2 Tox21_112818 -NCGC00091585-05 196717390 tox21-ror-cho-viability-p1 set2 4 8.4126743008 -12.1382897239 4.5 -7.6382897239 0.8999999999 0.5355353256 0.165258404 1.29617811 0.14962546 3.92257352 3.51768442 6.23104983 8.48258912 7.14369406 7.27753706 1.38933745 1.28919388 3.24877552 -0.48025103 -0.36316943 -4.69857477 0.46528406 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6197-30-4 22571 170464719 A Octocrylene CCC(CCCC)COC(=O)C(\C#N)=C(\c1ccccc1)c2ccccc2 Tox21_111153_1 -NCGC00182710-02 196717783 tox21-ror-cho-viability-p1 set2 4 -1.1484283 -0.13384853 1.71349621 2.30763177 -1.86398035 -0.32092606 0.41086907 2.62109249 -0.09071957 -0.23319544 -1.04213601 1.81696216 -1.63405545 -2.05475243 4.08804454 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 91503-79-6 3395 144206486 ND ND Flurbiprofen axetil Fc2cc(ccc2c1ccccc1)C(C)C(=O)OC(C)OC(C)=O Tox21_113023_1 -NCGC00262922-01 196717784 tox21-ror-cho-viability-p1 set2 4 -0.5516085 -0.54376107 1.06488454 5.01959719 0.67168051 4.08124635 2.98552803 4.19646434 2.53154281 1.95778048 1.13502473 -0.05540973 0.21681838 1.73024462 0.40511178 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84803-46-3 2727728 170466705 A A 4-(4-Chlorophenyl)piperidine-2,6-dione O=C1CC(CC(=O)N1)c2ccc(Cl)cc2 Tox21_113918 -NCGC00258516-01 196716159 tox21-ror-cho-viability-p1 set2 4 -0.34678371 -1.92001174 -8.93374919 -2.48311683 -0.37472565 0.73704971 0.39252585 -1.58636726 0.02427223 -1.4162957 0.7272291 -0.72085722 -3.27694203 -3.6729003 -8.64804785 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.00001844 0.000041219999999 0.00009218 853-23-6 14709 144208161 A F Dehydroepiandrosterone acetate CC(=O)O[C@H]4CC[C@@]2(C)C(=CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12)C4 Tox21_200963 -NCGC00258134-01 196716151 tox21-ror-cho-viability-p1 set2 -3 6.851987566 -50.98504081 -1.421501048 -52.406541858 4.9549173134 0.6194399218 0.1303213465 4.51308483 2.13949311 0.47229031 1.20538831 0.28716795 -28.1370905 1.36505738 -0.3393356 1.24923172 0.35658855 -0.0056952 -39.70192565 0.39949863 0.58576393 3.19110369 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.00004119 0.000092099999999 30781-73-8 13379149 144207778 Dimethylammonium nitrate CNC.[O-][N+](=O)O Tox21_200580 -NCGC00257919-01 196716152 tox21-ror-cho-viability-p1 set2 4 -0.44318202 -0.78830124 -6.90660379 0.54540029 1.17027592 0.83170205 -0.53437317 -0.80247995 -1.87861762 -2.36740919 -1.22487246 0.01942194 -1.42776155 -2.42237989 0.94520437 1.166E-9 2.608E-9 5.831E-9 1.304E-8 2.9149999999E-8 6.5189999999E-8 1.458E-7 3.26E-7 7.288E-7 0.0000016299999999 0.0000036439999999 0.000008149 0.00001822 0.00004074 0.00009111 79-46-9 398 144207563 AC C 2-Nitropropane CC(C)[N+]([O-])=O Tox21_200365 -NCGC00257732-01 196716154 tox21-ror-cho-viability-p1 set2 4 2.87798402 3.80383259 0.01551971 3.53930705 2.20818511 4.83002278 2.07300602 -0.95340504 1.00959984 4.08760969 1.24360234 3.90732546 2.29513821 -1.41563437 2.31380511 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 106-79-6 7829 144207376 A A Dimethyl decanedioate O=C(CCCCCCCCC(=O)OC)OC Tox21_200178 -NCGC00258644-01 196716162 tox21-ror-cho-viability-p1 set2 4 3.55347107 4.84044872 2.62241155 0.17481061 1.35259843 0.51755459 2.38417706 2.10242686 1.97272707 2.53700381 3.91916036 0.90659273 0.55133733 3.82912283 -1.11210557 1.2049999999E-9 2.695E-9 6.027E-9 1.348E-8 3.013E-8 6.738E-8 1.507E-7 3.3689999999E-7 7.533E-7 0.0000016839999999 0.0000037669999999 0.000008422 0.000018829999999 0.000042109999999 0.00009417 78-92-2 6568 144208290 A Ac 2-Butanol CC(O)CC Tox21_201092 -NCGC00258306-01 196716167 tox21-ror-cho-viability-p1 set2 4 27.8901987353 -12.0373668399 2 -10.0373668399 4.9549173134 0.834971842 0.0035133209 1.75392718 3.69517598 3.6664964 1.59525495 -1.00236542 2.69523172 3.30064062 2.03429184 2.48748995 0.82761735 -0.98379245 4.36826693 2.50993507 -10.4478057 -8.29641188 1.2009999999E-9 2.6849999999E-9 6.0039999999E-9 1.3419999999E-8 3.002E-8 6.712E-8 1.501E-7 3.356E-7 7.505E-7 0.0000016779999999 0.0000037519999999 0.00000839 0.00001876 0.00004195 0.00009381 178631-05-5 12036651 144207950 D 1-Hexyl-3-methylimidazolium iodide [I-].C[n+]1ccn(CCCCCC)c1 Tox21_200752 -NCGC00258519-01 196716565 tox21-ror-cho-viability-p1 set2 4 -0.43861905 0.70114843 2.96237463 0.37464999 -3.78208172 -0.34896642 -2.02025659 -5.34397756 1.44784823 -1.06195115 0.9433366 -1.05357495 -10.1191511 0.18729869 -7.30612652 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.961E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008275 0.0000185 0.00004138 0.000092519999999 393-75-9 9809 144208164 A Fc 2-Chloro-1,3-dinitro-5-(trifluoromethyl)benzene O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1Cl)C(F)(F)F Tox21_200966 -NCGC00091759-02 196716566 tox21-ror-cho-viability-p1 set2 4 -3.28903215 0.56555449 0.0440391 0.39313626 -0.76170608 -2.13184389 -0.0803112 -0.95087384 -1.27816026 -3.17780014 -1.14393583 0.07375556 1.3910431 1.22844147 0.54120434 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00258343-01 196702732 tox21-ror-cho-viability-p1 set1 -2.2 48.607118608 -70.780993619 3.036424171 -67.744569448 1.78848746 0.9745650888 1.895E-7 2.5336715 -0.39446736 0.00185331 4.21126953 0.85665352 1.83472897 5.44572158 4.37196206 7.57108518 6.69508951 1.99984784 -0.44159596 -9.79015614 -24.45982426 -51.7004314 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.476E-7 3.302E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.000092279999999 6088-51-3 22463 144207987 A A 6-Hydroxy-2-naphthyl disulfide Oc1ccc2cc(ccc2c1)SSc3ccc4cc(O)ccc4c3 Tox21_200789 -NCGC00257908-01 196702326 tox21-ror-cho-viability-p1 set1 4 -12.13203689 -11.30901954 -13.81630735 -9.05367979 -10.88656851 -3.14607364 -15.52419332 -13.8866075 -10.06633646 -10.89731055 -13.66905971 -10.05071489 -13.16853922 -18.04985394 -27.05267203 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.571E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008214 0.00001837 0.00004107 0.00009184 74-31-7 6319 144207552 A N,N'-Diphenyl-p-phenylenediamine c1ccccc1Nc2ccc(cc2)Nc3ccccc3 Tox21_200354 -NCGC00258298-01 196702329 tox21-ror-cho-viability-p1 set1 4 0.67937924 -0.38430592 -0.00431141 10.31964738 0.08228105 -0.48437403 -3.543729 0.19740683 1.43472886 1.58213334 5.02732711 1.64035908 -10.80285087 -3.55973885 1.17454194 1.163E-9 2.5999999999E-9 5.8139999999E-9 1.2999999999E-8 2.9069999999E-8 6.5E-8 1.453E-7 3.25E-7 7.267E-7 0.000001625 0.000003634 0.000008125 0.00001817 0.000040619999999 0.00009084 10595-95-6 25418 144207942 D N-Nitroso-N-methylethylamine CCN(C)N=O Tox21_200744 -NCGC00257791-01 196702334 tox21-ror-cho-viability-p1 set1 4 -0.99370092 0.90175556 0.76584725 -3.72029384 2.10208266 4.24004155 2.57376247 4.27790067 3.622751 0.26604155 5.01398058 1.35330749 4.01260971 0.06713312 0.03130152 1.1609999999E-9 2.595E-9 5.803E-9 1.298E-8 2.9019999999E-8 6.488E-8 1.451E-7 3.244E-7 7.254E-7 0.000001622 0.0000036269999999 0.0000081099999999 0.000018129999999 0.000040549999999 0.00009067 76-22-2 2537 144207435 A A Camphor CC2(C)C1CC(=O)C2(C)CC1 Tox21_200237 -NCGC00255385-01 196700677 tox21-ror-cho-viability-p1 set1 4 -0.91503485 3.24996435 -1.47993376 -4.05920888 -6.75977838 4.15837494 3.88548511 -1.92058558 2.52206891 -0.4373414 1.48999453 -1.24411687 0.85951365 -1.6731562 4.89462831 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 643-38-9 69508 144211547 A A 2,3-Quinolinedicarboxylic acid O=C(O)c1cc2ccccc2nc1C(=O)O Tox21_301230 -NCGC00254751-01 196699863 tox21-ror-cho-viability-p1 set1 4 -3.30626168 -5.10810198 -2.36609105 -0.87857552 -3.47742674 0.86802196 -2.84536922 -8.39805736 -0.81456314 -0.87243655 1.48954146 -0.73808838 -2.02649801 -3.52877173 -6.42430937 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 709-98-8 4933 144211165 A A Propanil Clc1ccc(NC(=O)CC)cc1Cl Tox21_300848 -NCGC00256287-01 196700262 tox21-ror-cho-viability-p1 set1 4 -0.33587676 -0.06099244 -0.85392173 -0.61191463 -0.69660822 0.27687304 0.46925347 -0.95598284 1.52076901 1.799784 1.2214851 1.63345834 2.00149085 4.08469075 3.15311957 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2785-89-9 62465 144212625 A F 4-Ethyl-2-methoxyphenol Oc1ccc(cc1OC)CC Tox21_302308 -NCGC00256121-01 196700265 tox21-ror-cho-viability-p1 set1 4 61.130564862 11.7094208679 -0.7094208679 11 2.9522712143 0.6159046072 0.0874590413 -1.08522939 -0.64681109 -1.39501832 1.42574964 -0.54267017 -0.15284953 -0.09025852 -6.42451739 0.42398568 -0.10765374 -2.73545589 -1.14303386 1.92423413 1.61385805 8.18217396 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-40-4 67065 144212119 A Cc 4-Hydroxy-7-(phenylamino)naphthalene-2-sulfonic acid O=S(=O)(O)c1cc(O)c2ccc(cc2c1)Nc3ccccc3 Tox21_301802 -NCGC00256131-01 196700682 tox21-ror-cho-viability-p1 set1 4 1.54069852 2.28799284 -7.62933252 -0.93575144 -1.26864915 -0.59759269 2.62681926 -7.85027536 0.68622459 0.10570239 1.54501686 0.33812104 -1.3487082 0.51607762 1.02404448 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 692-86-4 12729 144212022 A Ac Ethyl undec-10-enoate O=C(CCCCCCCCC=C)OCC Tox21_301705 -NCGC00163815-04 196701088 tox21-ror-cho-viability-p1 set1 -2.1 58.1036241395 -96.8836632895 -1.494636566 -98.3782998555 2.5334283767 0.9886958478 1.7E-9 0.69529122 -2.53021894 -0.40978352 -2.36129327 1.62947183 -5.70358156 -3.73356835 0.73853016 -0.67047513 -0.72025771 -3.78420766 0.67965989 -8.92734716 -30.72258971 -78.31689383 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00255986-01 196701093 tox21-ror-cho-viability-p1 set1 4 5.4482673282 17.4154435881 -18.049683188 -0.6342395999 0.5 0.8616665231 0.001563951 -14.97981852 -19.62473599 -16.99857742 -16.22456806 -19.00067652 -19.13800961 -13.52462647 -16.40848238 -10.48986913 -10.83012491 -11.17633866 -9.92942196 -8.05507352 -3.028533 -4.55268862 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-71-3 66755 144211700 A A 2-Ethoxyphenol CCOc1ccccc1O Tox21_301383 -NCGC00255844-01 196701103 tox21-ror-cho-viability-p1 set1 4 -0.05775605 1.99332134 -0.0360342 3.87647523 3.74450899 0.80468554 2.10985559 3.60444263 -3.01810731 1.02696442 1.47105198 2.10934282 5.27142585 4.20009587 3.55862137 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-87-7 8769 144211667 A A Ethyl diethanolamine CCN(CCO)CCO Tox21_301350 -NCGC00255487-01 196701109 tox21-ror-cho-viability-p1 set1 4 -4.90421719 -1.59921893 1.08628683 -6.62653646 -4.05148822 -1.29397249 -15.94476677 -8.53472206 -13.92510033 -2.29259474 -0.98631755 -3.7830419 5.77498508 -13.30972881 -10.0311026 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 138-87-4 8748 144212695 Z F beta-Terpineol CC1(O)CCC(CC1)C(=C)C Tox21_302378 -NCGC00091650-03 196722937 tox21-ror-cho-viability-p1 set3 4 0.5448267328 8.464969232 1.535030768 10 4.9549173134 0.6965952782 0.0490077212 4.4623613 4.75571086 3.25161204 2.77230853 0.96024499 -0.38747436 2.49016028 0.84032036 8.63059543 11.86323105 9.28891296 11.77551997 4.37443896 13.78111011 -13.93179808 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00179358-04 196722950 tox21-ror-cho-viability-p1 set3 4 26.6032120037 22 6 28 0.4 0.6011857109 0.0966747191 9.71447775 7.79616188 6.64201118 12.68010544 7.99701597 3.67740145 11.43852344 5.55816881 9.76955015 10.95604162 10.9826136 12.56802262 10.9737095 17.2092441 21.78378664 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3963-95-9 54685047 170465224 A Methacycline hydrochloride Cl.NC(=O)C=3C(=O)[C@@]4(O)C(O)=C2C(=O)c1c(O)cccc1C(=C)[C@H]2[C@H](O)[C@H]4[C@@H](C=3O)N(C)C Tox21_110542_1 -NCGC00183362-02 196722927 tox21-ror-cho-viability-p1 set3 4 0.1883363179 -14.554208996 7 -7.554208996 2.3331733767 0.577253894 0.1285338987 -2.8404569 -2.18849462 13.07800158 8.47902049 7.70464884 11.15877905 15.25804288 -6.34578117 -0.46005839 -3.9811059 -9.20137031 -10.46184083 -9.6550998 -5.01503137 16.22048848 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5534-95-2 9853654 170465396 A Pentagastrin NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)CCNC(=O)OC(C)(C)C)Cc3cnc2ccccc23 Tox21_113479_1 -NCGC00253751-01 196722928 tox21-ror-cho-viability-p1 set3 4 5.3080386368 -6.1208014519 1 -5.1208014519 4.9549173134 0.4145118409 0.2773329079 0.77331815 2.69299426 3.32789213 -1.27525285 -0.54412724 2.04374809 1.04707472 0 -3.83567641 0.58190368 7.88555602 -0.32110815 -5.93400121 -4.16462827 4.59930339 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 509-78-4 17036 170466465 A Dimenoxadol CN(C)CCOC(=O)C(OCC)(c1ccccc1)c2ccccc2 Tox21_113866 -NCGC00095088-05 196723345 tox21-ror-cho-viability-p1 set3 4 -1.40568968 -0.49587832 -2.40630544 -3.57694342 -3.8387764 -9.09252009 -5.03168091 -2.06310318 -5.35992448 2.16383071 6.49382786 -12.03010193 -4.07714454 -3.51137198 -10.58494146 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 141-90-2 1269845 170466804 A Thiouracil O=C1C=CNC(=S)N1 Tox21_111418_1 -NCGC00247734-01 196723354 tox21-ror-cho-viability-p1 set3 4 0.3072792125 9.6407477479 -8.1407477479 1.5 4.9549173134 0.401439414 0.2702414585 1.26555687 -17.51187244 -1.80018724 2.23632993 -18.86728979 -10.13759862 -12.56394946 0 2.29482457 3.22476824 2.00848347 1.80928942 -1.5865906 -0.95645229 3.09798625 1.3019999999E-9 2.911E-9 6.509E-9 1.455E-8 3.255E-8 7.277E-8 1.627E-7 3.6389999999E-7 8.1359999999E-7 0.0000018189999999 0.000004068 0.000009097 0.00002034 0.000045479999999 0.00010169999999 1443-44-3 24194381 144206453 A A alpha-Methylfentanyl hydrochloride Cl.CCC(=O)N(C1CCN(CC1)C(C)Cc2ccccc2)c3ccccc3 Tox21_112900 -NCGC00344525-01 196723358 tox21-ror-cho-viability-p1 set3 4 5.4482673282 11.3527494519 -0.3527494519 11 3.9899729863 0.3770352102 0.2952742524 -0.06330212 0.42665879 -0.4358647 3.52883865 -1.55028071 -0.74043472 2.97102766 6.22388788 -1.28855127 0.73657172 -6.3683303 -7.37729121 0.61397298 2.21351098 9.75227729 1.1799999999E-10 2.638E-10 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 60-18-4 6057 170466853 Z L-Tyrosine Oc1ccc(C[C@H](N)C(=O)O)cc1 Tox21_111594_1 -NCGC00263444-01 196723360 tox21-ror-cho-viability-p1 set3 2.4 14.9600854925 36.1296349839 -0.1296349839 36 0.7 0.9121600735 0.0001676567 -0.21801043 0.75160458 -0.85471613 -1.00892882 3.40974562 -0.11726048 -3.02469582 -1.427983 6.17998817 6.78394921 7.2969787 9.20946389 14.73934633 15.83546105 28.78184041 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7601-55-0 24244 170465111 F Metocurine iodide [I-].[I-].COc7ccc1cc7Oc6cc5c(CC[N+](C)(C)[C@H]5Cc4ccc(Oc3c2c(CC[N+](C)(C)[C@@H]2C1)cc(OC)c3OC)cc4)cc6OC Tox21_112755_1 -NCGC00013287-07 196723364 tox21-ror-cho-viability-p1 set3 2.4 37.5780357627 41.0817191619 4 45.0817191619 0.8999999999 0.6376776271 0.071503809 3.85031763 3.21152549 1.98200383 2.74100691 17.23404411 1.3127739 0.89708967 4.22799801 11.4209776 9.7554677 7.30223928 8.55111176 9.59715078 13.28128623 34.33492515 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 138-41-0 8739 170466232 B Carzenide O=S(N)(=O)c1ccc(cc1)C(=O)O Tox21_110021_1 -NCGC00258668-01 196723771 tox21-ror-cho-viability-p1 set3 -2.2 24.4850856083 -52.8665058115 -1.162986418 -54.0294922295 4.5044702849 0.9406161101 0.0000484448 0.37488256 -1.43156465 -2.55017956 -4.8378763 1.85443572 -5.16665282 -0.1427979 0.4296311 1.93545436 -4.75599289 6.60255656 -5.12958481 -12.18524419 -50.02730762 -20.23478726 1.1859999999E-9 2.6519999999E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001853 0.000041439999999 0.000092669999999 458-37-7 969516 144208314 A A Curcumin Oc1ccc(cc1OC)/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2 Tox21_201116 -NCGC00356961-01 196723778 tox21-ror-cho-viability-p1 set3 4 0.968854161 8.671879192 -3.671879192 5 3.9899729863 0.5104143604 0.1694462086 -2.41580354 2.5178723 -1.23783678 -8.89323266 -3.41452268 -3.19639979 -4.70103146 -4.9283801 -5.74913015 11.55666517 2.02189692 10.72075981 3.74409543 0.2777934 1.61108761 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-56-0 7661 251919819 A 3-Phenylprop-2-en-1-yl propanoate CCC(=O)OCC=Cc1ccccc1 Tox21_303749 -NCGC00260021-01 196724195 tox21-ror-cho-viability-p1 set3 4 0.0616282348 12.55998334 -6.05998334 6.5 0.3 0.7747641054 0.013245227 -3.24762992 -3.38331945 -1.59391368 -1.1223254 1.89925341 -1.17355829 1.7529016 -0.51991873 2.61028971 4.50987637 4.68890546 4.54916841 3.78171609 1.891056 7.6862688 1.188E-9 2.656E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.641E-8 1.4849999999E-7 3.321E-7 7.425E-7 0.0000016599999999 0.000003712 0.0000083009999999 0.00001856 0.000041509999999 0.00009281 625-86-5 12266 144209670 Fns 2,5-Dimethylfuran Cc1ccc(C)o1 Tox21_202472 -NCGC00259779-01 196709246 tox21-ror-cho-viability-p1 set2 4 1.6908312 1.01966526 0.05079525 -0.83192315 1.10526317 3.90371086 0.86735441 4.95636763 -0.97076477 4.51108763 3.63269561 2.30428489 3.36180104 2.55411555 0.07917873 1.1919999999E-9 2.6649999999E-9 5.959E-9 1.332E-8 2.98E-8 6.662E-8 1.49E-7 3.331E-7 7.449E-7 0.0000016659999999 0.000003724 0.0000083279999999 0.00001862 0.00004164 0.00009311 140-31-8 8795 144209428 F 1-(2-Aminoethyl)piperazine NCCN1CCNCC1 Tox21_202230 -NCGC00091261-03 196709229 tox21-ror-cho-viability-p1 set2 4 61.130564862 -22.85525248 1.5 -21.35525248 1.713743691 0.837913931 0.0032325373 1.93067022 0.4640635 6.9691667 1.26386585 -0.19356243 -0.10063002 -0.14855914 2.96747404 2.35774583 -0.24803455 1.63424259 2.03033873 -3.16016353 -5.32627015 -14.4627104 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00090780-04 196709240 tox21-ror-cho-viability-p1 set2 4 -1.36120435 -3.14986575 -5.2764523 -0.80434728 -1.46983633 0.10270977 -0.24670102 -0.9525142 -0.09568648 -0.41546143 -1.38548564 0.65187973 -0.96973029 -3.77173241 -3.93093692 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00090827-04 196709642 tox21-ror-cho-viability-p1 set2 4 -4.76812069 0.99495441 -6.15182522 -4.7245511 -0.52362712 -1.26461151 0.20293374 -4.85801917 -3.46483857 -5.45186771 0.46088827 -2.27507086 -2.18342006 -3.35958143 -1.66175358 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00259262-01 196709649 tox21-ror-cho-viability-p1 set2 4 -0.17479003 0.98599381 1.46569641 1.32693695 1.44267443 -0.55173572 1.95379419 -0.33008741 0.11751101 0.11870455 1.62783416 0.17197001 3.02592645 0.76285465 2.64429023 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003667 0.000008201 0.00001834 0.000041 0.00009169 107-46-0 24764 144208911 FNS Hexamethyldisiloxane C[Si](C)(C)O[Si](C)(C)C Tox21_201713 -NCGC00163774-04 196709659 tox21-ror-cho-viability-p1 set2 4 -3.73064949 0.3111671 2.47201968 0.03197896 -3.78669721 0.51480376 -0.1251512 0.7917461 1.67941124 -7.00696532 0.83162279 2.84323848 1.99768047 3.52918932 1.00993359 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00091086-02 196709666 tox21-ror-cho-viability-p1 set2 4 -2.40787365 -1.97012951 -0.37256163 -3.3277386 -1.79910944 2.38968417 -2.95970138 -1.00620035 -0.90082971 -4.96099995 -1.93744334 -0.91130139 -0.53843007 -0.10691095 -1.02409655 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00255246-01 196710059 tox21-ror-cho-viability-p1 set2 -2.4 43.2771256911 -28.978304524 0.5 -28.478304524 3.0654483358 0.9611253282 0.000002102 1.52588435 1.22367159 0.09426679 0.759118 0.96128392 -0.82565458 -1.84412747 0.21682027 -0.60140138 -2.06838327 2.67011935 0.00362425 1.37426753 -12.95369267 -25.81525377 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 125116-23-6 86210 144212590 A A Metconazole Clc1ccc(cc1)CC3CCC(C)(C)C3(O)Cn2cncn2 Tox21_302273 -NCGC00255920-01 196710062 tox21-ror-cho-viability-p1 set2 4 4.30332917 0.67222475 1.01731147 1.08069154 0.34268896 0.51970441 2.01724667 1.54733219 0.91309009 0.5939767 -0.32905599 2.40663604 -0.05507642 -0.15884283 5.48433942 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4107-98-6 61329 144211690 A Ac N,N-Diisopropylaniline CC(C)N(C(C)C)c1ccccc1 Tox21_301373 -NCGC00255961-01 196710068 tox21-ror-cho-viability-p1 set2 -1.2 24.3365162115 -37.4194574901 0.9612539 -36.4582035901 4.9549173134 0.9831732681 1.75E-8 4.05119299 1.84676419 2.85575648 1.84462167 0.63462632 -0.23619866 0.37458394 0.4273418 -0.42979436 0.07891337 -0.21363048 -0.02987946 -4.62431892 -36.72372901 -34.13448677 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1729-67-5 95428 144212294 F Fns Methyl 2,3-dibromopropionate BrC(CBr)C(=O)OC Tox21_301977 -NCGC00091210-02 196726288 tox21-ror-cho-viability-p1 set3 4 38.5707788719 -15.878186148 5 -10.878186148 3.1319983358 0.3918774646 0.2795313188 0.04709884 -1.02013291 5.61453971 10.06166112 11.93618565 11.5975917 10.18950364 4.38073779 -2.97438151 -4.9708572 6.35766289 5.64338392 10.65478341 -6.16570902 -9.48182179 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00091258-05 196725873 tox21-ror-cho-viability-p1 set3 -1.1 10.5909294584 -62.163524707 -1.643932953 -63.80745766 3.1319983358 0.9369350811 0.0000294993 -10.40632453 -9.37055748 -3.58771766 -0.74878166 6.08191053 3.62246012 4.90535816 -9.64226969 -2.3584405 5.28477173 -3.07643579 -6.10171398 -26.73646547 -59.40137825 -60.357419 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4252-78-2 20250 170466727 F 2,2',4'-Trichloroacetophenone O=C(CCl)c1ccc(Cl)cc1Cl Tox21_113461_1 -NCGC00181294-01 196716988 tox21-ror-cho-viability-p1 set2 4 14.9600854925 8.9615467919 -1.9615467919 7 0.4999999999 0.3459179924 0.327026038 -5.06825504 -0.02970934 -0.76830676 0.66980002 0.34335809 -8.71795566 0.58193012 1.97404622 -2.9567582 0.11823851 0.56668939 -0.20394124 2.37025415 2.58376074 4.42828323 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67-16-3 5432 144206326 I F Thiamine disulfide Nc2nc(C)ncc2CN(C=O)C(C)=C(CCO)SSC(CCO)=C(C)N(C=O)Cc1cnc(C)nc1N Tox21_112773 -NCGC00025302-02 196716994 tox21-ror-cho-viability-p1 set2 4 -0.75634381 -4.15506859 -9.03095708 -4.25782657 -7.08208064 0.6134264 -1.11567702 -3.19357968 -1.89849802 -1.31217114 -1.83478035 -3.92099369 -5.82313391 -8.02597008 -17.42922614 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1135280-78-2 24978536 170466455 A Altanserin hydrochloride Cl.Fc1ccc(cc1)C(=O)C4CCN(CCN2C(=O)c3ccccc3NC2=S)CC4 Tox21_110960_1 -NCGC00093936-08 196717395 tox21-ror-cho-viability-p1 set2 4 0.27959953 -0.26155989 -1.07426124 0.01423551 1.17203557 -0.9074675 -1.47848145 -1.87196362 -1.86012423 -3.62616975 -3.70674743 -2.28966112 -1.80682212 -0.52334608 -0.01298858 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5959-95-5 145815 170465304 F D-Glutamine O=C(N)CC[C@@H](N)C(=O)O Tox21_112047_1 -NCGC00013082-04 196717397 tox21-ror-cho-viability-p1 set2 4 -1.38387062 1.34031034 1.57507264 2.33771848 6.06223164 5.13696115 8.40088319 -1.03403392 -0.90823688 -1.03710294 1.30342037 3.87710422 -1.91042004 -2.09988973 4.07534844 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4023-65-8 444212 170466847 Fc trans-Aconitic acid OC(=O)C(\CC(=O)O)=C\C(=O)O Tox21_113103_1 -NCGC00094851-05 196717407 tox21-ror-cho-viability-p1 set2 4 -0.38570532 0.10983471 -0.06831539 1.20423427 0.43898496 1.36117931 1.39276923 3.15663251 1.37732428 3.30775872 1.74502217 4.69541358 5.53080222 0.16046718 6.52427238 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 440-58-4 3723 170465213 F Iodamide O=C(C)Nc1c(I)c(c(I)c(CNC(C)=O)c1I)C(=O)O Tox21_111346_1 -NCGC00015989-17 196717814 tox21-ror-cho-viability-p1 set2 4 1.17962091 2.67708357 0.63392022 1.29565061 5.42072598 2.34650636 1.98062779 7.02525668 3.70690238 1.89554801 0.18263134 0.25489395 0.53969767 2.17731673 0.90006465 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-35-1 5426 170465323 A Thalidomide O=C1NC(=O)CCC1N3C(=O)c2ccccc2C3=O Tox21_110275_1 -NCGC00164601-02 196717817 tox21-ror-cho-viability-p1 set2 4 1.89609129 1.04159401 0.83090037 4.88951328 7.49979917 5.62175516 4.7112166 -1.21204283 1.45443322 1.99036251 4.72270759 2.41794128 -0.78038993 1.0076058 0.63654827 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 88678-31-3 3936 170466057 A Liranaftate COc1cccc(n1)N(C)C(=S)Oc2cc3CCCCc3cc2 Tox21_112223_1 -NCGC00160555-02 196717826 tox21-ror-cho-viability-p1 set2 4 0.85614617 -5.61138733 -3.17844298 -0.84137472 -1.61633231 2.73113063 0.68488665 -2.17978847 -0.37697943 -1.08263228 2.07574902 -0.77688853 -0.36923596 0.06261104 -5.74004726 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16915-70-1 9570327 170466422 F Nifursol O=[N+]([O-])c2ccc(/C=N/NC(=O)c1cc(cc([N+]([O-])=O)c1O)[N+]([O-])=O)o2 Tox21_111895_1 -NCGC00256979-01 196718224 tox21-ror-cho-viability-p1 set2 4 -1.46782089 -1.73475812 -3.6649425 1.40253634 -2.00342217 -7.06128779 -2.4722834 -1.5669999 -4.2421491 -1.11969664 -3.21235358 -0.18001692 -10.2785886 -0.72918539 -6.30711259 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-70-6 7104 144213600 A A 3-Hydroxy-2-naphthoic acid O=C(O)c1cc2ccccc2cc1O Tox21_303283 -NCGC00257134-01 196718643 tox21-ror-cho-viability-p1 set2 4 0.15680337 1.32534585 2.10705015 -0.27769537 1.01760717 3.01487597 0.51871545 1.60573044 3.6550443 2.37598643 3.12965578 1.41836399 0.15445447 1.36965889 2.02631764 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-70-1 6819 144213593 A A Butylphthalyl butylglycolate O=C(OCCCC)COC(=O)c1ccccc1C(=O)OCCCC Tox21_303276 -NCGC00257806-01 196716177 tox21-ror-cho-viability-p1 set2 4 -3.30657857 -1.51647989 -1.51292031 -5.1659253 -3.78335821 -3.08863707 1.00841307 -6.75393711 -2.55576934 -4.81661476 2.82052452 -0.74826075 1.71091561 2.39733716 -4.90796856 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.569E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003672 0.0000082119999999 0.000018359999999 0.00004106 0.00009181 621-42-1 12124 144207450 A A 3-Acetamidophenol Oc1cccc(NC(C)=O)c1 Tox21_200252 -NCGC00258631-01 196715761 tox21-ror-cho-viability-p1 set2 4 43.1891193367 8.311283236 -0.311283236 8 0.9999999999 0.5078533298 0.1760871836 1.36317374 1.14495915 -1.58880826 0.21672778 -0.28701332 2.66261299 -4.84273603 -1.13968396 -0.2734093 1.59720889 -0.13276107 1.31492931 2.21386814 3.06154431 5.81105419 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.3169999999E-8 2.9459999999E-8 6.587E-8 1.4729999999E-7 3.2929999999E-7 7.364E-7 0.0000016469999999 0.0000036819999999 0.000008234 0.000018409999999 0.00004117 0.00009206 616-91-1 12035 144208276 A A N-Acetyl-L-cysteine CC(=O)N[C@@H](CS)C(O)=O Tox21_201078 -NCGC00257946-01 196702344 tox21-ror-cho-viability-p1 set1 4 2.3891716552 -12.7560711239 -2 -14.7560711239 4.9549173134 0.612981863 0.1014333632 -9.6096434 -1.32883026 -2.4369063 -1.97296754 -9.16844035 -5.25984157 -0.61771641 -7.04746796 1.35319245 -1.39864546 -15.60363059 -10.91643131 -16.88005927 -15.08174613 -8.62219623 1.162E-9 2.599E-9 5.812E-9 1.2999999999E-8 2.9059999999E-8 6.4979999999E-8 1.453E-7 3.249E-7 7.265E-7 0.000001624 0.000003632 0.000008122 0.00001816 0.00004061 0.000090809999999 594-18-3 11659 144207590 Dibromodichloromethane BrC(Br)(Cl)Cl Tox21_200392 -NCGC00258012-01 196701933 tox21-ror-cho-viability-p1 set1 4 0.82112413 1.24956709 2.01339792 2.72896729 0.10002031 0.48912942 5.09997826 5.87667659 4.49073387 6.94756058 -1.5997837 1.73776621 -4.3663726 0.67528299 0.2895324 1.1779999999E-9 2.635E-9 5.891E-9 1.3169999999E-8 2.9459999999E-8 6.587E-8 1.4729999999E-7 3.2929999999E-7 7.364E-7 0.0000016469999999 0.0000036819999999 0.000008233 0.000018409999999 0.00004117 0.000092049999999 3048-65-5 62475 144207656 FNS 3a,4,7,7a-Tetrahydroindene C1=CCC2CC=CCC12 Tox21_200458 -NCGC00257812-01 196701935 tox21-ror-cho-viability-p1 set1 4 -0.68952981 0.20534709 0.59952759 0.59709144 0.773331 0.08707734 0.41597665 5.59865991 0.44935905 0.75198759 0.49958909 4.58171636 0.84291922 0.58339747 -0.11308483 1.155E-9 2.5839999999E-9 5.7769999999E-9 1.292E-8 2.889E-8 6.459E-8 1.444E-7 3.23E-7 7.2219999999E-7 0.000001615 0.000003611 0.000008074 0.000018049999999 0.000040369999999 0.000090269999999 21416-67-1 30623 144207456 A A ICRF-159 O=C2CN(CC(C)N1CC(=O)NC(=O)C1)CC(=O)N2 Tox21_200258 -NCGC00257787-01 196702339 tox21-ror-cho-viability-p1 set1 4 -1.46757968 1.49588776 2.42918459 3.62845317 4.09190859 0.55803138 2.36438396 -0.0995518 4.87871031 3.67476399 0.21956928 2.28806922 0.75375573 7.37728913 6.63563415 1.1919999999E-9 2.6659999999E-9 5.9609999999E-9 1.333E-8 2.981E-8 6.6649999999E-8 1.49E-7 3.3329999999E-7 7.452E-7 0.0000016659999999 0.000003726 0.0000083309999999 0.00001863 0.00004166 0.00009315 1477-42-5 15132 144207431 A A 2-Amino-4-methylbenzothiazole Cc1cccc2sc(N)nc12 Tox21_200233 -NCGC00258696-01 196702346 tox21-ror-cho-viability-p1 set1 4 74.3834129831 8.7602380799 -1.2602380799 7.5 4.9549173134 0.4738553174 0.2073251542 0.22928671 -3.63786525 -0.97016077 -1.38074558 0.18286144 0.18710118 -1.23512595 -0.59871355 -0.08951903 -6.0501984 -2.31415979 -3.02521079 0.22046902 -0.95827233 5.00280652 1.1469999999E-9 2.5649999999E-9 5.7359999999E-9 1.2829999999E-8 2.868E-8 6.413E-8 1.434E-7 3.206E-7 7.169E-7 0.000001603 0.000003585 0.0000080159999999 0.00001792 0.000040079999999 0.00008962 3048-64-4 18273 144208342 FNS 5-Vinyl-2-norbornene C=CC2CC1C=CC2C1 Tox21_201144 -NCGC00258564-01 196702357 tox21-ror-cho-viability-p1 set1 4 -0.0619302 -11.58513851 2.7719249 -7.45920645 -0.90353844 -7.5595055 -4.52474932 -4.37777209 4.13543787 -0.47558415 -9.83685998 -0.92654003 -5.69224709 -3.24488912 -2.11578621 9.2239999999E-10 2.062E-9 4.6119999999E-9 1.031E-8 2.306E-8 5.156E-8 1.153E-7 2.5779999999E-7 5.765E-7 0.0000012889999999 0.000002882 0.000006445 0.00001441 0.000032229999999 0.00007206 83905-01-5 447043 144208209 A A Azithromycin CN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)N(C)C[C@H](C)C[C@@]2(C)O)[C@@H]3O Tox21_201011 -NCGC00258282-01 196702759 tox21-ror-cho-viability-p1 set1 -2.2 34.6211000324 -39.284109816 -4 -43.284109816 0.9999999999 0.7536336559 0.0184023312 -9.51774896 -11.45748258 -0.5914273 -6.53989065 -6.11100434 -14.13175147 0.07473371 -7.99124456 -1.16056609 -9.49412605 -3.99591412 -14.13902796 -16.02939963 -26.33911651 -32.73675818 1.187E-9 2.653E-9 5.9329999999E-9 1.327E-8 2.9669999999E-8 6.633E-8 1.4829999999E-7 3.317E-7 7.416E-7 0.0000016579999999 0.000003708 0.000008292 0.00001854 0.00004146 0.000092709999999 882-33-7 13436 144207926 A Diphenyl disulfide S(Sc1ccccc1)c2ccccc2 Tox21_200728 -NCGC00257721-01 196701545 tox21-ror-cho-viability-p1 set1 4 3.22455956 0.742738 2.10052057 -1.04286216 7.20070818 0.82730476 0.92533915 6.61815804 1.96190656 3.10464031 1.5767503 -3.76081171 2.74308056 2.07548831 5.40711233 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.4729999999E-7 3.295E-7 7.367E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.000041179999999 0.00009209 99-50-3 72 144207365 A A 3,4-Dihydroxybenzoic acid Oc1ccc(cc1O)C(=O)O Tox21_200167 -NCGC00255617-01 196701129 tox21-ror-cho-viability-p1 set1 -2.2 54.4826732819 -53.9548635005 -0.1123837859 -54.0672472864 3.9294729863 0.9563679721 0.0000039751 0.26529513 0.30349481 0.45205061 0.20222757 -1.1690848 0.70906024 2.12546773 -8.83195306 2.96683234 -0.2151687 1.18071529 -1.43907088 1.39820489 -13.38675668 -48.15700552 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 82560-54-1 54886 144211899 A B Benfuracarb CC(C)N(CCC(=O)OCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12 Tox21_301582 -NCGC00255992-01 196701131 tox21-ror-cho-viability-p1 set1 4 -1.49691597 -1.75180538 -9.60427745 -8.28987169 -7.35221991 -2.2589785 -4.33883163 -3.41566876 -3.2804406 -2.97741299 -5.04096263 -0.23724292 -4.58946315 -3.3916093 -8.74385488 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5510-99-6 21685 144212392 A A 2,6-Di(butan-2-yl)phenol Oc1c(cccc1C(C)CC)C(C)CC Tox21_302075 -NCGC00257568-01 196701544 tox21-ror-cho-viability-p1 set1 4 34.8662461756 10.1199652679 -2.1199652679 8 1.111 0.5748481171 0.1174797537 1.96305704 -2.40110148 -2.85592193 -1.55583977 -1.9619532 -4.18088417 -5.93330439 -0.39905774 -1.95875199 -1.23289763 -3.5605563 2.98286141 -0.5052479 2.40582777 6.70391122 1.194E-9 2.67E-9 5.9699999999E-9 1.335E-8 2.985E-8 6.675E-8 1.493E-7 3.337E-7 7.463E-7 0.000001669 0.0000037309999999 0.0000083439999999 0.00001866 0.00004172 0.00009329 869-24-9 13363 144207212 A 1-Chloro-2-(diethylamine)ethane hydrochloride Cl.CCN(CC)CCCl Tox21_200014 -NCGC00258309-01 196701546 tox21-ror-cho-viability-p1 set1 4 0.40425125 3.66264856 1.03039688 6.7329321 2.85487616 3.83008565 1.53183296 1.79296256 0.04204815 1.5573715 1.88546805 2.09761622 0.26950631 4.51481467 2.39860182 1.177E-9 2.6319999999E-9 5.8849999999E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.0000036779999999 0.000008225 0.00001839 0.00004113 0.00009196 22888-70-6 31553 144207953 I I Silybin Oc4cc(O)cc5O[C@H](c1ccc2O[C@H](CO)[C@H](Oc2c1)c3ccc(O)c(OC)c3)[C@@H](O)C(=O)c45 Tox21_200755 -NCGC00092361-06 196698461 tox21-ror-cho-viability-p1 set1 4 0.31139726 0.85184643 4.64137488 1.14749784 0.05829667 -0.01655589 0.94385466 2.726152 0.22844888 0.50428256 -5.29519039 2.53787723 0.68284526 0.86765497 1.75030824 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 363-24-6 5280360 170465000 A Prostaglandin E2 O[C@@H]1CC(=O)[C@H](C/C=C\CCCC(=O)O)[C@H]1/C=C/[C@@H](O)CCCCC Tox21_111196_1 -NCGC00160451-02 196698458 tox21-ror-cho-viability-p1 set1 4 8.4126743008 9.0577122279 -3.0577122279 6 0.6999999999 0.4498619448 0.2266458818 -5.09656507 -0.05986332 -2.86090197 -2.89367271 -9.21476019 0.40938234 0.95190603 -0.84746426 -5.10671443 -2.11126581 0.43543097 0.35329459 0.53687482 4.50979476 3.25886937 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1553-60-2 15250 170465922 Ac Ibufenac CC(C)Cc1ccc(cc1)CC(=O)O Tox21_111821_1 -NCGC00016866-11 196698459 tox21-ror-cho-viability-p1 set1 4 0.82056996 -3.88389558 0.25202524 -0.19470708 1.71215364 -0.09064537 4.2018359 2.8817862 0.41343929 0.14278936 -2.97414761 1.02949226 0.08596486 0.04808954 4.41564586 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51940-44-4 4831 170465767 A Pipemidic acid O=C(O)C2=CN(CC)c1nc(ncc1C2=O)N3CCNCC3 Tox21_110655_1 -NCGC00015659-14 196698460 tox21-ror-cho-viability-p1 set1 4 1.47419839 1.66217783 0.10002944 1.25945201 -9.55418783 0.17585874 8.89988774 0.467759 0.03037597 -1.1661679 -4.62949164 -6.94993623 -0.54607519 0.10646067 -0.53655792 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5370-01-4 21467 170464740 Mexiletene hydrochloride Cl.CC(N)COc1c(C)cccc1C Tox21_111249_2 -NCGC00018221-08 196698856 tox21-ror-cho-viability-p1 set1 4 0.3063785869 -14.0786541519 9 -5.0786541519 0.2 0.4630178818 0.2143156376 2.14921697 9.79850091 6.68975243 2.98714526 3.46648531 -0.09873272 1.7797322 -0.21261624 1.39840989 1.66859184 3.71296424 -0.03967868 0.36858515 1.02029306 -5.89887846 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00091643-08 196699272 tox21-ror-cho-viability-p1 set1 4 1.34975486 -2.79293264 2.28372966 2.15289302 -1.15128716 -0.17139144 1.55325875 0.46535309 4.11035773 1.6194194 1.26862001 0.23490974 4.10738205 2.52483394 1.61743687 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00254969-01 196699276 tox21-ror-cho-viability-p1 set1 4 4.28553249 2.64194967 0.15470144 3.97768931 -1.73706623 -0.23034295 2.99744952 0.59546759 -0.22258225 2.01095121 4.64462268 3.25296465 0.87110494 0.12845449 -3.01093229 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103764-33-6 60196415 144211385 A A 4-Methylumbelliferone hydrate O.Oc1ccc2c(c1)OC(=O)C=C2C Tox21_301068 -NCGC00167525-02 196723382 tox21-ror-cho-viability-p1 set3 4 33.4914596268 16.053196804 -4.053196804 12 4.9549173134 0.6355982012 0.0733291255 -2.881009 -4.65284181 -3.20419829 -3.11911277 -1.68249543 1.72165751 -4.04254475 -3.55665772 -5.07189012 -7.71369869 -3.57262508 -3.79263676 -7.96916868 -8.79433067 10.92786237 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118292-40-3 5381 170464671 A Tazarotene O=C(OCC)c1ccc(nc1)C#Cc2ccc3SCCC(C)(C)c3c2 Tox21_112522_1 -NCGC00015060-14 196722555 tox21-ror-cho-viability-p1 set3 2.4 54.1504058934 35.072826696 2.427173304 37.5 1.9673362061 0.8903767557 0.0005095757 1.46806766 0.67532715 5.96135828 -0.47735558 1.48270728 -0.01282317 0.69203271 1.87774915 3.16749705 3.58850977 7.5709938 5.66974284 1.29647201 14.92130428 29.1727024 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00247354-02 196722561 tox21-ror-cho-viability-p1 set3 2.2 59.9513081177 40.539816644 1.460183356 42 2.4063783767 0.8215487739 0.0048908274 8.16605829 3.58360742 4.09860644 -0.97756946 -0.52346525 -1.01599973 1.83242602 -1.09303836 6.41814047 -3.36651387 -2.4958826 -1.25248034 10.58524136 10.65130133 32.970119 1.1609999999E-9 2.5959999999E-9 5.804E-9 1.298E-8 2.9019999999E-8 6.489E-8 1.451E-7 3.245E-7 7.255E-7 0.000001622 0.000003628 0.000008112 0.00001814 0.00004056 0.000090689999999 69049-06-5 64761 144206431 A A Alfentanil hydrochloride Cl.CCC(=O)N(c1ccccc1)C2(COC)CCN(CC2)CCN3N=NN(CC)C3=O Tox21_112878 -NCGC00024930-03 196722954 tox21-ror-cho-viability-p1 set3 4 0.0105909295 -15.649114548 17 1.350885452 0.3 0.3537122035 0.3326557429 15.63324138 13.02330589 -0.54092879 14.57221544 14.03073123 1.61245518 9.55989443 6.45364605 7.32360731 1.42554913 4.61447584 5.1830263 2.68782342 2.42693054 9.67571109 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69-27-2 6243 170466099 F Chlorisondamine chloride [Cl-].[Cl-].C[N+](C)(C)CC[N+]1(C)Cc2c(Cl)c(Cl)c(Cl)c(Cl)c2C1 Tox21_112032_1 -NCGC00249884-01 196723384 tox21-ror-cho-viability-p1 set3 -1.2 8.4126743008 -57.7924810005 0.6912244389 -57.1012565616 2.9022712143 0.9503462833 0.0000080887 6.08624293 -4.77254266 7.73577617 5.83218166 -3.28091472 -4.58238957 6.24340119 -1.3553716 6.16321603 -5.80930089 -2.62485323 -6.63193419 -32.92552053 -55.35197944 -54.18493052 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80-74-0 6662 170465159 A A Sulfisoxazole acetal Cc1c(onc1C)N(C(C)=O)S(=O)(=O)c2ccc(N)cc2 Tox21_113660 -NCGC00256059-01 196710499 tox21-ror-cho-viability-p1 set2 4 -4.60353665 -1.8123314 -0.72646794 -0.41525734 -5.0255485 -3.34826786 -5.5154252 -2.59882383 -1.63813234 -0.71242751 -0.93514931 0.36161297 -2.77501862 -3.49265454 -0.70673486 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 36431-72-8 61953 144212606 D F Theaspirane CC2=CCCC(C)(C)C12CCC(C)O1 Tox21_302289 -NCGC00257553-01 196710478 tox21-ror-cho-viability-p1 set2 4 -5.27063698 -3.15606378 -1.29436715 -5.58551607 -4.54533046 -3.6717045 -0.9335428 -2.33926316 3.04044653 -3.23324004 2.89548921 1.13939745 4.12456038 -8.11512125 -4.75780549 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 153-94-6 9060 144211617 Ac Ac d-Tryptophan O=C(O)[C@H](N)Cc2cnc1ccccc12 Tox21_301300 -NCGC00255609-01 196710489 tox21-ror-cho-viability-p1 set2 -2.4 54.4826732819 -24.09549152 -0.5 -24.59549152 3.1319983358 0.934523317 0.0000364387 2.07491035 -1.15223001 -1.04240853 -0.97899802 -1.54274653 1.13814481 0.48880375 0.64061929 -3.53057698 -2.2104099 0.42022033 -1.51893924 -0.06072686 -7.70789538 -20.9129096 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-06-8 6624 144211775 A A Chlorfenethol OC(C)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_301458 -NCGC00255531-01 196710495 tox21-ror-cho-viability-p1 set2 -1.1 8.6349217992 -93.0852727891 -5.909583057 -98.9948558461 1.21 0.9165462817 0.000128332 -5.83725504 1.40401798 -0.72667952 -0.61769065 -1.23631127 -4.86405441 -8.08319437 -16.63677934 -28.40269358 -21.86032775 -23.1635228 -33.98665182 -89.18758799 -92.69181259 -84.29720361 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2767-54-6 17701 144211722 A Triethyltin bromide Br[Sn](CC)(CC)CC Tox21_301405 -NCGC00256143-01 196710893 tox21-ror-cho-viability-p1 set2 4 0.0010017176 8.968229556 -7.468229556 1.5 1.752947691 0.6872118033 0.0453791347 -6.22352463 -3.09365564 -0.68244908 1.68174933 -0.03285075 0.91592897 0.49760644 1.34131491 1.48209441 -0.1205633 1.79964343 0.80341838 2.26748885 0.14639258 6.22596051 4.223E-10 9.444E-10 2.112E-9 4.7219999999E-9 1.056E-8 2.3609999999E-8 5.2789999999E-8 1.1799999999E-7 2.64E-7 5.9019999999E-7 0.00000132 0.0000029509999999 0.000006599 0.00001476 0.000032999999999 17465-86-0 5287407 144212620 Bc gamma-Cyclodextrin OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@@H]9[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O Tox21_302303 -NCGC00091146-04 196710895 tox21-ror-cho-viability-p1 set2 4 -3.58430615 -0.45405972 -0.07137188 1.01928554 -1.66127765 0.26542311 -3.09201712 -7.99041112 -1.73249801 0.93431554 -1.45703175 0.06212308 -5.27938165 -1.39563254 -1.48172012 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00255691-01 196710896 tox21-ror-cho-viability-p1 set2 4 0.67360189 -3.67107977 -1.43615849 -0.42617635 -0.92701147 -2.12417551 -3.81144778 1.87707776 -1.0892755 -0.56572785 -0.40786547 -4.01829768 -4.02913607 -1.72241465 1.7705968 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 5146-66-7 21768 144212430 I Fns 3,7-Dimethyl-2,6-octadienenitrile C\C(C)=C\CCC(C)=CC#N Tox21_302113 -NCGC00091499-05 196727556 tox21-ror-cho-viability-p1 set3 4 0.95138554 2.86885527 -0.06573937 0.46189396 2.9624672 1.23244661 0.25389682 -0.26857052 2.83996095 0.29145333 1.32925049 -0.21311286 -1.39071068 1.85940384 2.15466109 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00257302-01 196727137 tox21-ror-cho-viability-p1 set3 4 0.0172289341 14.222350316 -16.722350316 -2.5 4.9549173134 0.7434950668 0.0215122954 -10.26284722 -20.18529193 -19.98714648 -14.56823694 -0.62733872 0 -2.84449622 -3.34421678 -2.05408715 -2.24805592 -4.2472647 2.46693933 -11.05666644 -4.00173167 -0.15701864 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 37143-54-7 123458 144213858 Fns 1-Methoxy-2-propylamine CC(N)COC Tox21_303553 -NCGC00257319-01 196727533 tox21-ror-cho-viability-p1 set3 4 0.20165066 1.23215934 0.0752413 -1.40460822 -17.56443189 -2.90842844 -19.98443172 0 0 0 -0.00769025 -0.47342035 2.19794789 2.01622876 10.88364023 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.0000189 0.00004225 0.00009448 526-75-0 10687 144213821 A A 2,3-Dimethylphenol Cc1cccc(O)c1C Tox21_303513 -NCGC00255425-01 196727547 tox21-ror-cho-viability-p1 set3 4 27.3060203028 -19.087518032 0.5 -18.587518032 2.6384283767 0.8994557165 0.0003333496 -0.06785258 1.48624792 -0.94639641 -0.63765994 -0.57493941 -0.65328103 -0.43973005 4.07266393 -0.38346471 0.55803801 5.60107712 -1.45973731 -5.44000923 -12.8375377 -17.98959836 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68-96-2 6238 144211847 A A 17alpha-Hydroxyprogesterone CC(=O)[C@@]3(O)CC[C@H]2[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_301530 -NCGC00255086-01 196719502 tox21-ror-cho-viability-p1 set3 -2.4 0.1933118196 -23.419770948 16 -7.419770948 0.3 0.8098833726 0.0091563039 13.31386466 11.53539906 9.15454522 4.86099467 13.03316146 6.33662101 2.1095099 0.94292774 4.0094479 -0.13646363 3.09826135 -3.86390179 -1.70764641 -4.51647579 6.80665956 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-87-2 8080 144211505 FNS 3,4-Dihydro-2H-pyran C1=CCCCO1 Tox21_301188 -NCGC00256412-01 196719067 tox21-ror-cho-viability-p1 set2 4 0.63808342 -2.39257537 -1.09775788 -0.81569051 -2.74294051 -5.7712335 -2.94725688 -0.02843833 -2.10206972 -1.51899471 -0.19586167 -4.16461458 -0.64871716 -0.65315765 -5.93811819 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 53-43-0 5881 144213078 A A Dehydroepiandrosterone O=C4CC[C@@H]3[C@]4(C)CC[C@H]2[C@H]3CC=C1C[C@@H](O)CC[C@@]12C Tox21_302761 -NCGC00090773-04 196719069 tox21-ror-cho-viability-p1 set2 4 -0.33743273 -0.10215583 -1.88948624 -2.25457417 0.20071781 -3.27203761 -6.04128426 0.6109235 -1.88476003 0.78600027 -0.68090433 -2.05087366 -1.24715156 -0.90145166 1.5388832 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.0000016739999999 0.000003742 0.000008368 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00254306-01 196719500 tox21-ror-cho-viability-p1 set3 4 27.3060203028 -24.036526188 -2.5 -26.536526188 4.9549173134 0.693192917 0.0504758153 -6.69796696 -9.47410207 -0.2923762 2.43817382 -1.8784005 -6.45898776 2.53475192 1.30059855 -3.82819125 -5.73222844 -4.90124283 0.67063873 -4.34159892 -23.78043849 -4.49461582 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 544-76-3 11006 144210803 FNS Hexadecane CCCCCCCCCCCCCCCC Tox21_300485 -NCGC00254659-01 196719505 tox21-ror-cho-viability-p1 set3 -1.1 0.1722893406 -73.3271580528 -2.953325254 -76.2804833068 4.9549173134 0.9079902995 0.0002113145 -0.30274176 -4.82085355 -7.14535085 -8.75250167 1.24565612 -2.8535492 -21.06522818 -83.18927849 -65.49015699 -41.22608719 -84.3762961 -83.2337865 -82.31529055 -88.28759642 -82.25302432 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76-87-9 6327657 144211071 A Triphenyltin hydroxide O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3 Tox21_300754 -NCGC00255002-01 196719510 tox21-ror-cho-viability-p1 set3 -1.1 9.6885416101 -104.1862646691 1.4272770999 -102.7589875692 0.6999999999 0.8478782466 0.0023947919 -1.6120934 5.56120509 -0.13969219 -6.36740163 -0.70929328 -0.22332876 -7.67916742 4.88740698 5.58776622 -47.25044242 -38.85001369 -50.17442569 -33.7375767 -90.13946278 -87.20377771 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 137-26-8 5455 144211419 A A Thiram CN(C)C(=S)SSC(=S)N(C)C Tox21_301102 -NCGC00254878-01 196719517 tox21-ror-cho-viability-p1 set3 4 -5.94059508 -9.49978534 0.80478345 1.29006604 -0.48080342 -1.26995168 -3.87246975 -6.24163885 -6.19187718 0.98658615 -2.65552983 -3.2420533 0.99907652 0.33860013 -0.93891444 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1772-25-4 15678 144211293 A A 1,3,6-Hexanetricarbonitrile N#CCCCC(CCC#N)C#N Tox21_300976 -NCGC00014361-08 196717848 tox21-ror-cho-viability-p1 set2 4 3.53231452 1.38297807 1.39864375 5.50672025 6.09838473 6.31953707 5.58042212 3.49898465 2.86868204 1.5628081 1.183357 3.57746155 3.31151523 3.30682719 0.05056541 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4408-78-0 546 170466274 Z Phosphonoacetic acid O=C(O)CP(=O)(O)O Tox21_110045_1 -NCGC00015508-16 196717840 tox21-ror-cho-viability-p1 set2 4 -1.46943693 2.20632076 1.07173417 3.29917761 3.47957462 7.65396066 6.21374824 7.48611214 -0.60103255 0.21669827 2.19108576 -1.44881153 0.74791928 2.88146733 2.05306344 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-93-5 3639 170465005 A Hydrochlorothiazide NS(=O)(=O)c2cc1c(NCNS1(=O)=O)cc2Cl Tox21_110165_1 -NCGC00091468-02 196717842 tox21-ror-cho-viability-p1 set2 4 0.5542592892 -3.963137516 2.5 -1.463137516 4.9549173134 0.4888731861 0.2090128516 -0.69607732 3.73634582 0.51794039 0.5738875 1.28862273 3.93787313 5.97376984 3.82872716 -1.73589113 -1.08626722 0.57949168 -4.13594793 -0.07327844 -2.48508239 0.81350354 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00164572-02 196717843 tox21-ror-cho-viability-p1 set2 -2.4 33.4914596268 -28.79231582 -2 -30.79231582 4.9549173134 0.8886025651 0.0005527173 -4.90370912 -2.87226579 -3.48896692 -0.66070503 -2.30916901 -2.97725469 -4.65238011 -1.54464421 -4.81471326 -2.98161185 2.09267222 -1.61599154 0.14750201 -0.79124191 -26.07692985 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 168273-06-1 104850 170465599 A Rimonabant O=C(NN1CCCCC1)c4nn(c2ccc(Cl)cc2Cl)c(c3ccc(Cl)cc3)c4C Tox21_112200_1 -NCGC00256383-01 196718259 tox21-ror-cho-viability-p1 set2 -2.4 68.5896218971 -26.668827616 -3 -29.668827616 2.3331733767 0.7318495451 0.0254913109 -3.06644547 -4.00946886 -3.04322135 0.15738496 -7.69936521 -1.34929634 0.29036846 -0.66290232 -1.4035796 -10.89631351 -2.62531308 -1.13197172 -4.27618331 -8.87906053 -21.39068968 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 608-73-1 727 144213242 F Fns 1,2,3,4,5,6-Hexachlorocyclohexane ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl Tox21_302925 -NCGC00260548-01 196703608 tox21-ror-cho-viability-p1 set1 4 0.0005288608 10.02787738 -11.52787738 -1.5 0.7999999999 0.7369879824 0.0240254708 -9.0008165 -11.27323115 -5.89797747 -5.15742596 -8.71575908 -1.43728482 -1.253047 -0.57842381 -1.89714026 -2.92680235 -2.11691636 -2.50192795 -2.0750958 -2.18703128 1.31982244 5.881E-11 1.3149999999E-10 2.9399999999E-10 6.575E-10 1.4699999999E-9 3.288E-9 7.351E-9 1.644E-8 3.676E-8 8.219E-8 1.838E-7 4.1089999999E-7 9.189E-7 0.000002055 0.000004594 87-82-1 6905 144210201 F Hexabromobenzene Brc1c(Br)c(Br)c(Br)c(Br)c1Br Tox21_203003 -NCGC00260530-01 196703605 tox21-ror-cho-viability-p1 set1 -2.1 61.130564862 -83.080065507 -1.489766763 -84.56983227 2.2481167061 0.9784731245 7.27E-8 -2.68660773 0.82961288 0.53380967 -3.14414024 -0.18930544 -1.77220574 0.23969965 -1.63164992 -1.59695053 0 -3.9505948 -3.21010849 -13.19025874 -23.07850188 -64.06805475 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 120-32-1 8425 144210183 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_202985 -NCGC00259810-01 196704000 tox21-ror-cho-viability-p1 set1 -2.2 54.4826732819 -57.0693705292 -1.446369366 -58.5157398952 1.78848746 0.9003176057 0.0003169833 -0.82566184 -0.54785019 -0.42589827 4.7547998 -2.77466248 -6.8526755 -2.73969139 -0.39429429 -2.91097962 -0.85033631 -0.19712142 0.83702699 -16.82418973 -16.6671629 -44.70889386 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-56-3 7340 144209459 A A 2-Amino-5-azotoluene Cc2cc(/N=N/c1ccccc1C)ccc2N Tox21_202261 -NCGC00260334-01 196704003 tox21-ror-cho-viability-p1 set1 4 4.8081070672 -12.029846692 0.5 -11.529846692 1.9673362061 0.5098119833 0.1729374367 0.05473063 1.04082898 -0.34590284 -0.98811638 3.88333443 -0.8180653 0.26771452 4.40488105 -0.48508902 0.449273 -3.07472351 0.30660612 -1.26521966 0.30757524 -7.94153891 7.244E-11 1.62E-10 3.622E-10 8.0979999999E-10 1.8109999999E-9 4.0489999999E-9 9.054E-9 2.025E-8 4.5269999999E-8 1.0119999999E-7 2.264E-7 5.0619999999E-7 0.000001132 0.000002531 0.0000056589999999 3564-09-8 5359885 144209986 Fc Ponceau 3R [Na+].[Na+].[O-]S(=O)(=O)c2cc3cc(c(O)c(/N=N/c1cc(C)c(C)cc1C)c3cc2)S([O-])(=O)=O Tox21_202788 -NCGC00260045-01 196704005 tox21-ror-cho-viability-p1 set1 4 -0.96638065 -3.23398506 -1.0793648 -2.07236438 0.78737254 -3.85248256 -0.64269565 -0.86340481 -1.21683417 -1.26408938 -1.02840409 -9.14037475 2.75129534 -0.76661801 1.74462166 1.171E-9 2.618E-9 5.8529999999E-9 1.3089999999E-8 2.927E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.317E-7 0.0000016359999999 0.000003658 0.0000081809999999 0.00001829 0.0000409 0.00009146 NOCAS_24824 5284361 144209694 F F Chlorinated paraffins:C12, 60% chlorine ClC(CC(Cl)C(Cl)CCC(Cl)CC)C(Cl)C(Cl)CCl Tox21_202496 -NCGC00258761-01 196702801 tox21-ror-cho-viability-p1 set1 -1.1 7.0687471049 -69.0416867009 0.4103247169 -68.631361984 2.8472712143 0.9898952657 9E-10 2.92140713 2.37798651 0.00963778 4.94178803 -2.86829234 -0.83771083 -0.1539031 -0.91936166 0.13238183 -2.14658735 -10.85249441 -42.23627703 -68.60965307 -70.9549648 -62.07355926 1.21E-9 2.7049999999E-9 6.0499999999E-9 1.353E-8 3.0249999999E-8 6.764E-8 1.512E-7 3.382E-7 7.562E-7 0.000001691 0.000003781 0.000008455 0.00001891 0.00004227 0.000094529999999 77439-76-0 53665 144208407 A A 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone ClC=1C(=O)OC(O)C=1C(Cl)Cl Tox21_201209 -NCGC00091586-02 196702383 tox21-ror-cho-viability-p1 set1 4 4.73877882 0.22637804 -0.33049077 -4.89035365 0.22509531 5.04625684 1.02908693 7.63237341 4.83411512 8.40809148 -0.08018418 1.44524631 3.32095845 3.61924295 5.6938554 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00258767-01 196702384 tox21-ror-cho-viability-p1 set1 4 -5.78330036 -5.7841755 -0.56970159 -1.94593655 -6.10992304 2.23058913 0.38230961 -6.14384309 -9.43031476 1.15528377 1.66148838 -1.03318787 0.45292297 1.41344962 -8.77397578 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 328-42-7 970 144208413 FC 2-Oxobutanedioic acid O=C(O)C(=O)CC(=O)O Tox21_201215 -NCGC00168342-02 196702797 tox21-ror-cho-viability-p1 set1 4 -11.99910008 -6.04890635 -4.68956939 -11.20948636 -10.87582289 -4.29877325 -15.3090142 -10.32135262 -11.60068312 -10.29706771 -12.37476157 -8.44578059 -14.79711606 -10.28010835 -1.87670323 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00258508-01 196702803 tox21-ror-cho-viability-p1 set1 4 38.1397123614 8.5931440079 -7.966754576 0.6263894319 3.0654483358 0.5386892892 0.1471966627 -7.95754831 -7.91195185 -8.27335748 -4.51097125 -8.8066668 -8.37496356 -9.64935576 -8.54441318 -2.67893805 -6.5975384 -11.22229548 -8.11520278 -9.20845368 -2.42689505 -0.31134214 1.1689999999E-9 2.6129999999E-9 5.843E-9 1.3069999999E-8 2.922E-8 6.5329999999E-8 1.461E-7 3.2659999999E-7 7.304E-7 0.0000016329999999 0.000003652 0.000008166 0.00001826 0.000040829999999 0.0000913 1445-45-0 15050 144208153 FC 1,1,1-Trimethoxyethane CC(OC)(OC)OC Tox21_200955 -NCGC00260580-01 196703199 tox21-ror-cho-viability-p1 set1 4 -1.87104616 -0.19859002 11.07368408 -2.02510516 -4.7969901 -6.79182402 -0.72583014 -1.20509772 -3.16264306 2.65384981 1.6562391 3.05397627 0.2970599 2.85404687 2.82677575 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49476 144210233 M M NTP Mix40 CT1 3-EQP Tox21_203035 -NCGC00090708-05 196703200 tox21-ror-cho-viability-p1 set1 4 24.3365162115 -10.9690892199 0 -10.9690892199 2.09374246 0.7550007007 0.0183084233 3.84065967 -0.41140411 -0.97801217 -1.26829269 -1.15719985 -0.91351026 -3.55578875 3.4854722 -0.96981119 -0.31724717 -0.93575718 -0.02219244 -4.71817931 -7.54100957 -10.80757435 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00253920-01 196699726 tox21-ror-cho-viability-p1 set1 4 -4.0842845 -4.77334456 2.18469301 -3.66009835 -3.85264096 -0.74853454 -2.13145282 -2.89482193 -4.93809653 -2.20496575 -1.7536539 -0.02491108 2.3479933 -1.36943931 -0.67548502 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-37-8 7497 144210357 AC F N,N-Diethylethanolamine CCN(CC)CCO Tox21_300037 -NCGC00254924-01 196698903 tox21-ror-cho-viability-p1 set1 4 -0.65286332 0.51274454 1.0565596 2.03954874 -7.34079847 1.09034842 -0.12834741 0.67678788 -1.90956767 0.71619509 0.46796849 1.17418236 -0.38576254 1.07517864 -1.03577822 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6306-60-1 80566 144211339 A A (2,4-Dichlorophenyl)acetonitrile Clc1cc(Cl)ccc1CC#N Tox21_301022 -NCGC00091351-03 196699299 tox21-ror-cho-viability-p1 set1 4 -0.32578094 -3.73130475 -2.72339982 -2.56878258 -0.66969941 0.03884547 0.38403662 -0.34972134 -0.019318 -1.43701226 0.21118242 0.45827865 -2.72504762 -0.73524 3.11241377 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00254787-01 196699724 tox21-ror-cho-viability-p1 set1 4 1.8659227 -2.14025548 -0.06970523 -2.38132116 -1.24823153 -2.19534102 -2.23122727 0.15432781 -0.07300577 -0.79616182 -8.12347554 -6.92414969 1.10148333 -0.82771269 3.27309811 1.2279999999E-9 2.746E-9 6.1399999999E-9 1.3729999999E-8 3.07E-8 6.865E-8 1.535E-7 3.4329999999E-7 7.676E-7 0.000001716 0.0000038379999999 0.000008582 0.00001919 0.000042909999999 0.000095939999999 1121-76-2 70724 144211200 A Ac 4-Chloropyridine 1-oxide [O-][n+]1ccc(Cl)cc1 Tox21_300883 -NCGC00259943-01 196722160 tox21-ror-cho-viability-p1 set3 4 -6.42252291 -5.5298683 -4.14400383 2.43973 -4.92077565 -5.82646405 -5.46666146 -6.02782424 -5.72615307 -3.66526306 -5.97414907 -5.9978631 -5.80863273 0.4372625 -0.16200432 1.2089999999E-9 2.703E-9 6.045E-9 1.352E-8 3.023E-8 6.759E-8 1.511E-7 3.379E-7 7.556E-7 0.00000169 0.0000037779999999 0.000008448 0.00001889 0.00004224 0.000094459999999 622-97-9 12161 144209592 A Ac 4-Methylstyrene Cc1ccc(C=C)cc1 Tox21_202394 -NCGC00259288-01 196721757 tox21-ror-cho-viability-p1 set3 4 21.4475363917 9.3124225519 -2.8124225519 6.5 4.9549173134 0.5610250511 0.1273070739 -3.54482087 -3.12351082 -2.8514461 6.35256424 -2.3828023 -4.31642913 -4.2138373 -4.19729653 -7.34368546 -1.53950413 -3.09727568 -5.38691489 0.58312225 6.8559666 5.96120983 1.1689999999E-9 2.6129999999E-9 5.844E-9 1.3069999999E-8 2.922E-8 6.5339999999E-8 1.461E-7 3.267E-7 7.305E-7 0.0000016329999999 0.000003652 0.000008167 0.00001826 0.000040829999999 0.000091309999999 2530-85-0 17318 144208937 D 3-(Trimethoxysilyl)propyl methacrylate CO[Si](CCCOC(=O)C(=C)C)(OC)OC Tox21_201739 -NCGC00259407-01 196721759 tox21-ror-cho-viability-p1 set3 4 -3.29659908 21.52239222 2.49681713 5.40993976 -4.71286569 14.55116987 8.25377326 2.10045 12.52495919 -2.59145051 -1.83704102 11.86425001 8.51919644 -3.42708627 -5.3613323 1.149E-9 2.569E-9 5.743E-9 1.284E-8 2.872E-8 6.421E-8 1.436E-7 3.211E-7 7.1789999999E-7 0.0000016049999999 0.0000035899999999 0.000008027 0.00001795 0.00004013 0.000089739999999 26472-00-4 3437714 144209056 FNS Methylcyclopentadiene dimer CC=2CC3C1C=C(C)C(C1)C3C=2 Tox21_201858 -NCGC00259515-01 196721766 tox21-ror-cho-viability-p1 set3 4 -1.68754275 2.52480366 -9.15141409 -4.50927139 -8.32442636 -0.01812494 0.56733832 -4.31698658 -4.53236252 -5.45477877 -0.89241585 -13.0986102 1.0141845 -9.80617322 -1.23985791 1.195E-9 2.6729999999E-9 5.9769999999E-9 1.337E-8 2.989E-8 6.683E-8 1.494E-7 3.341E-7 7.4719999999E-7 0.000001671 0.000003736 0.0000083539999999 0.000018679999999 0.00004177 0.0000934 108-99-6 7970 144209164 Fns 3-Methylpyridine Cc1cccnc1 Tox21_201966 -NCGC00259397-01 196722167 tox21-ror-cho-viability-p1 set3 4 21.7561324245 4.89839272 -3.39839272 1.5 4.9549173134 0.3351030107 0.3381330512 -1.06062974 -0.30266944 -4.11921566 0.14723764 -4.5643628 -4.18239778 -1.32272852 -3.64901334 -6.16699968 -1.24470853 -6.14344772 -6.9986606 -2.24899408 4.50432213 -1.05433718 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 55-98-1 2478 144209046 A F Busulfan O=S(C)(=O)OCCCCOS(C)(=O)=O Tox21_201848 -NCGC00091632-02 196722170 tox21-ror-cho-viability-p1 set3 4 21.6899429044 15.654845172 -2.654845172 13 4.9549173134 0.5511712847 0.1505975756 -10.54570431 -6.93342526 -2.20545849 -3.55998469 1.3803213 -2.40942466 -0.04823923 -0.16235647 -0.21157457 3.80087509 -5.13711927 -5.87606049 2.77261381 12.05418819 4.47537699 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00178790-03 196722563 tox21-ror-cho-viability-p1 set3 4 -0.38001688 -5.38369474 -3.26894227 -0.57484061 -1.20450514 -2.06671887 -1.26515498 0.07339008 -1.18970115 15.02038859 -12.89107908 -3.23196339 2.43895562 3.17819256 7.94327458 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 29701-07-3 636396 170466137 D Bekanamycin sulfate O=S(=O)(O)O.N[C@@H]3[C@@H](O)[C@H](O)[C@@H](CN)O[C@@H]3O[C@H]2[C@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O)[C@H](N)C[C@@H]2N Tox21_113188_1 -NCGC00025216-03 196722567 tox21-ror-cho-viability-p1 set3 4 33.4914596268 22.4213788039 -2.4213788039 20 4.9549173134 0.5278904055 0.1540149518 -3.0256748 -3.73760614 -2.75601914 2.27458604 -1.3118956 -12.01781567 -9.75775955 -1.71610587 4.88622815 2.57977223 0.28367852 0.97108112 -7.06047576 -4.59703448 17.0330287 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112192-04-8 219050 170466119 A Roxindole Oc3ccc4ncc(CCCCN1CC=C(CC1)c2ccccc2)c4c3 Tox21_110955_1 -NCGC00165865-02 196722570 tox21-ror-cho-viability-p1 set3 -1.1 11.8832183006 -82.4188769384 -0.5987065319 -83.0175834703 3.9294729863 0.9735196632 2.383E-7 0.23055767 -4.37591041 2.5038258 -0.4081483 -0.17034043 2.6360779 0.46423611 2.39177425 -8.68460004 2.51574923 1.28856813 -6.10675277 -21.56998819 -83.35098742 -74.59397461 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26864-56-2 33630 170466197 A Penfluridol FC(F)(F)c1cc(ccc1Cl)C4(O)CCN(CCCC(c2ccc(F)cc2)c3ccc(F)cc3)CC4 Tox21_113546_1 -NCGC00256266-01 196728446 tox21-ror-cho-viability-p1 set3 1.2 0.685896219 56.6903912124 -3.4031214875 53.2872697249 0.7999999999 0.9592035152 0.000007338 0.41988997 -5.44306298 0.70280167 -1.3069418 -2.39038915 -1.94997828 18.50728523 17.89340274 17.61055408 37.94113395 43.12473708 44.70523176 51.98585525 49.24561924 38.09493723 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17252-51-6 87019 144211949 A A 4,4'-Propane-1,3-diyldipyridine C(CCc1ccncc1)c2ccncc2 Tox21_301632 -NCGC00255234-01 196728460 tox21-ror-cho-viability-p1 set3 4 3.64752371 -1.78477157 3.34518168 1.68868597 2.29933189 1.65375328 4.35819196 2.61829488 2.12793409 1.61913496 1.77755241 3.92215779 -1.36310405 0.18731425 0.20303482 7.55E-10 1.688E-9 3.775E-9 8.441E-9 1.888E-8 4.221E-8 9.438E-8 2.1099999999E-7 4.719E-7 0.0000010549999999 0.0000023589999999 0.000005276 0.0000118 0.000026379999999 0.000058989999999 90823-38-4 64772 144212668 A A Denatonium saccharide CC[N+](Cc1ccccc1)(CC)CC(=O)Nc2c(C)cccc2C.O=C1[N-]S(=O)(=O)c2ccccc12 Tox21_302351 -NCGC00257241-01 196727628 tox21-ror-cho-viability-p1 set3 4 -2.36961411 -2.59781177 -0.58369795 0.88649192 -0.64594759 -3.76586741 -4.21197645 -4.81861779 -0.42586057 -0.36077372 2.33432075 -10.30224022 -7.34222493 -3.08717093 1.7942732 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 556-82-1 11173 144213730 F 3-Methyl-2-buten-1-ol C/C(C)=C\CO Tox21_303419 -NCGC00256711-01 196727629 tox21-ror-cho-viability-p1 set3 4 -0.13134042 0.81400277 0.24530612 -0.85885743 -0.17742821 -0.94235699 2.92963878 0.58448149 -17.58611822 0 0 0.31153973 2.45404258 2.64019067 8.37942257 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4536-23-6 20653 144212957 A A 2-Methylhexanoic acid CC(CCCC)C(=O)O Tox21_302640 -NCGC00090987-03 196728873 tox21-ror-cho-viability-p1 set3 4 -5.08850853 -1.3261982 -2.12001426 -8.24709412 -1.73367752 0.0232574 -0.53285228 -2.9837176 -1.49164152 -2.65846843 0.08515693 -3.17512663 -0.50061533 -0.0581335 -1.13266203 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00255522-01 196728876 tox21-ror-cho-viability-p1 set3 4 -0.4857108 -5.1659551 3.61476015 -2.52427332 -1.03526521 1.8707422 1.69988608 -2.94730313 1.31258164 -0.22240105 4.56832892 -8.70655701 1.9301285 1.13972022 -2.96157663 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 29094-61-9 3478 144212151 A A Glipizide Cc1cnc(cn1)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3 Tox21_301834 -NCGC00255950-01 196728886 tox21-ror-cho-viability-p1 set3 4 1.7228934059 16.336236148 -5.336236148 11 4.4494702849 0.6532976747 0.0735290239 -3.99001508 -1.22706518 -2.28855659 -0.23688545 -11.26602042 4.96087542 -16.53019679 -10.26519531 -7.66998253 2.50140576 11.99903196 12.73607203 12.1672088 5.99021246 0.13788743 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15826-37-6 27503 144212320 A Z Cromolyn sodium [Na+].[Na+].[O-]C(=O)C=4Oc3cccc(OCC(O)COc1cccc2OC(=CC(=O)c12)C([O-])=O)c3C(=O)C=4 Tox21_302003 -NCGC00258272-01 196729281 tox21-ror-cho-viability-p1 set3 4 -2.32278427 4.34842701 -0.23920705 0.22956901 2.37344625 3.70955364 1.66935056 0.88465324 7.97920842 -0.13934209 4.17330886 1.65835462 5.58026219 1.89890497 2.93591248 1.22E-9 2.729E-9 6.1009999999E-9 1.3639999999E-8 3.051E-8 6.821E-8 1.525E-7 3.411E-7 7.627E-7 0.000001705 0.000003813 0.0000085269999999 0.00001907 0.00004263 0.00009533 171058-17-6 2734163 144207916 A A 1-Hexyl-3-methylimidazolium chloride [Cl-].C[n+]1ccn(CCCCCC)c1 Tox21_200718 -NCGC00258421-01 196729283 tox21-ror-cho-viability-p1 set3 4 27.3337914917 15.5763983999 -2.5763983999 13 1.2221 0.5727849478 0.1334139486 -0.65523321 -7.980332 -1.98028264 -4.58758541 -0.21082068 -1.93701093 0.33519121 -2.40310123 -5.80738367 -2.34421755 1.86818885 1.61668658 -0.10266021 9.26950922 2.10743672 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004127 0.00009229 6533-68-2 20055509 144208065 A A Scopolamine hydrobromide trihydrate Br.O.O.O.OC[C@H](c1ccccc1)C(=O)O[C@H]2C[C@@H]3N(C)[C@H](C2)[C@H]4O[C@@H]34 Tox21_200867 -NCGC00163953-03 196729296 tox21-ror-cho-viability-p1 set3 -3 72.7253077472 -62.0693300643 2.8844849549 -59.1848451094 4.9549173134 0.9892316615 1.3E-9 4.94137621 1.69522244 1.27960878 3.70093009 1.41801306 1.802577 2.52867609 1.98900146 3.84985658 3.85683669 0.47388395 4.20221574 1.90048419 -0.20039617 -47.36892469 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00258599-01 196729696 tox21-ror-cho-viability-p1 set3 4 0.07002174 -0.33846291 2.52612717 1.95061177 1.21148875 0.29093881 1.68669026 0.36561419 0.21521576 6.60316115 2.63300768 1.19745736 0.44530515 -1.9550819 1.33379679 1.21E-9 2.706E-9 6.051E-9 1.353E-8 3.0249999999E-8 6.765E-8 1.5129999999E-7 3.382E-7 7.563E-7 0.000001691 0.000003782 0.0000084559999999 0.00001891 0.00004228 0.00009454 6262-42-6 80428 144208244 Tetrachlorocyclopropene ClC1=C(Cl)C1(Cl)Cl Tox21_201046 -NCGC00258097-01 196729710 tox21-ror-cho-viability-p1 set3 -2.4 38.8455131446 -24.4169549799 0.5 -23.9169549799 2.2526478767 0.9200859312 0.0001034586 -1.05757999 -2.29520805 -0.13760553 2.08230393 0.51886645 0.64174023 -0.98469675 -1.57436293 3.80864199 4.22014356 1.71423175 0.32426064 -3.99525171 -12.3137017 -20.76412915 1.187E-9 2.653E-9 5.9329999999E-9 1.327E-8 2.9669999999E-8 6.633E-8 1.4829999999E-7 3.317E-7 7.416E-7 0.0000016579999999 0.000003708 0.000008292 0.00001854 0.00004146 0.000092709999999 131-54-4 8570 144207741 A A 2,2'-Dihydroxy-4,4'-dimethoxybenzophenone O=C(c1ccc(cc1O)OC)c2ccc(OC)cc2O Tox21_200543 -NCGC00258969-01 196721300 tox21-ror-cho-viability-p1 set3 4 -5.25795119 -3.31162698 -3.38940304 -0.32655436 -2.56965173 -6.51732426 -3.65323099 -5.14189926 -4.80463563 -2.55019276 -7.10852916 -4.03031045 -3.64127233 -4.00695492 -8.93691296 1.148E-9 2.568E-9 5.7419999999E-9 1.284E-8 2.8709999999E-8 6.4199999999E-8 1.436E-7 3.21E-7 7.1779999999E-7 0.0000016049999999 0.000003589 0.000008025 0.00001794 0.00004013 0.00008972 88-60-8 6937 144208616 A A 2-tert-Butyl-5-methylphenol CC(C)(C)c1ccc(C)cc1O Tox21_201418 -NCGC00164449-04 196721676 tox21-ror-cho-viability-p1 set3 4 -5.96128858 -0.31802232 1.6379461 3.54987893 -7.94239066 -5.15344315 -6.56198614 -7.13553555 -7.38080702 1.00727654 -2.21633222 -1.97070659 -3.4023398 5.41126374 2.44770867 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00259147-01 196721290 tox21-ror-cho-viability-p1 set3 4 -10.98597428 -2.3620102 -0.02181084 -2.27991169 -12.95980078 -8.67769786 -15.38135391 -12.04413662 -8.79590353 -1.15978863 -11.891184 -8.65156882 -4.95909292 -1.62331229 -12.92616334 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.324E-8 2.96E-8 6.618E-8 1.4799999999E-7 3.309E-7 7.399E-7 0.0000016539999999 0.0000037 0.000008272 0.0000185 0.00004136 0.000092489999999 2095-03-6 91511 144208796 D Bis[4-(glycidyloxy)phenyl]methane c2cc(OCC1CO1)ccc2Cc4ccc(OCC3CO3)cc4 Tox21_201598 -NCGC00259924-01 196721293 tox21-ror-cho-viability-p1 set3 4 -5.67935758 -5.03781892 -1.71658137 -1.28202698 -6.42214223 -7.73872309 -5.67312645 -6.52072489 -5.94173146 -6.81180811 -6.21428567 -3.47607896 -4.02911023 1.4367054 1.12259574 1.193E-9 2.667E-9 5.964E-9 1.3339999999E-8 2.982E-8 6.668E-8 1.491E-7 3.3339999999E-7 7.455E-7 0.0000016669999999 0.000003728 0.000008335 0.00001864 0.00004168 0.00009319 58-55-9 2153 144209573 A A Theophylline O=C2c1ncnc1N(C)C(=O)N2C Tox21_202375 -NCGC00259401-01 196721696 tox21-ror-cho-viability-p1 set3 4 14.77976564 12.63951404 12.21256834 17.60857103 16.38493569 14.87240792 13.80208204 13.21348142 16.94224417 10.05170384 11.60897731 17.61745245 14.93707194 15.28666118 9.32981071 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.000091989999999 544-63-8 11005 144209050 A A Tetradecanoic acid O=C(O)CCCCCCCCCCCCC Tox21_201852 -NCGC00259312-01 196721700 tox21-ror-cho-viability-p1 set3 4 68.4501412252 -13.609470876 -2.65574966 -16.265220536 0.7 0.6350495625 0.0751101227 -5.33635117 -3.85555752 -0.7594277 -0.54645805 -4.13690958 -4.51454725 -3.64741774 -5.25434298 -4.43898785 -3.62763694 -2.93032775 -4.11387384 -4.55598058 -8.47955485 -11.88768378 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.000003681 0.00000823 0.000018399999999 0.00004115 0.00009201 933-75-5 13618 144208961 A A 2,3,6-Trichlorophenol Oc1c(Cl)ccc(Cl)c1Cl Tox21_201763 -NCGC00259451-01 196722086 tox21-ror-cho-viability-p1 set3 4 21.9991140989 14.2400363759 -6.2400363759 8 2.8472712143 0.4964093331 0.1816746792 -11.07087774 -11.53721714 2.51653804 3.50079966 -8.37724823 -13.11669698 -4.98372659 -5.17437207 -10.16687319 -3.0976173 -5.92237392 -4.75112952 -1.4867418 6.2015481 7.77395408 1.194E-9 2.67E-9 5.9699999999E-9 1.335E-8 2.985E-8 6.675E-8 1.4919999999E-7 3.337E-7 7.4619999999E-7 0.000001669 0.0000037309999999 0.000008343 0.00001866 0.00004172 0.00009328 919-31-3 13522 144209100 FC 3-(Triethoxysilyl)propionitrile CCO[Si](OCC)(OCC)CCC#N Tox21_201902 -NCGC00259743-01 196722089 tox21-ror-cho-viability-p1 set3 4 -10.1030477 1.66987007 -5.66699368 -1.46374574 -10.78155343 -12.03631346 -6.38633227 -8.68031941 -8.3099719 -2.12383431 -13.18918746 -8.94948643 -7.78797792 -7.9154105 -14.00019398 1.483E-9 3.3159999999E-9 7.415E-9 1.658E-8 3.708E-8 8.29E-8 1.854E-7 4.1449999999E-7 9.2689999999E-7 0.000002073 0.000004634 0.000010359999999 0.00002317 0.00005181 0.0001159 32388-55-9 16220111 144209392 A Fc 1-Cedr-8-en-9-ylethanone CC(=O)C=1C[C@]23C[C@@H](C=1C)C(C)(C)[C@@H]3CC[C@H]2C Tox21_202194 -NCGC00182037-01 196722489 tox21-ror-cho-viability-p1 set3 2.4 16.7854920005 26.1637435279 -0.6637435279 25.5 0.6 0.7835536472 0.0110639188 0.16008544 -0.6343083 -0.16194007 1.19053986 1.15255502 -0.43641965 -3.88645294 -2.90308758 4.52182611 6.43493162 8.97799363 2.84068688 11.47361627 9.42829094 18.67505081 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 74258-86-9 71992 144206457 A A Alacepril O=C(N[C@@H](Cc1ccccc1)C(=O)O)[C@@H]2CCCN2C(=O)[C@H](C)CSC(C)=O Tox21_112904 -NCGC00015400-05 196722490 tox21-ror-cho-viability-p1 set3 2.4 33.4914596268 30.98364758 1.01635242 32 3.6272481694 0.6912676382 0.0421351411 -1.18897638 0.15860141 1.27128384 0.73611582 -1.01659885 0.21662111 -7.90303965 -0.45334891 4.54534338 -1.83576465 11.19635925 4.70344666 2.56981139 5.02283332 24.48846848 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77671-31-9 53708 170466419 A Enoximone O=C(C=1NC(=O)NC=1C)c2ccc(SC)cc2 Tox21_110137_1 -NCGC00160665-02 196722497 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -110.8081723674 2.6376553002 -108.1705170672 4.9549173134 0.9701663754 4.701E-7 5.33179703 0.69222291 -0.17541446 4.43081033 5.09145757 4.54446141 4.20314523 1.24145932 -0.3038988 -4.11486607 -3.13612537 10.61979353 -0.26922524 -0.15197821 -94.88641848 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33743-96-3 36303 170466529 B Proroxan O=C(CCN1CCC(C1)c2ccccc2)c3ccc4OCCOc4c3 Tox21_111970_1 -NCGC00091210-02 196722504 tox21-ror-cho-viability-p1 set3 4 17.2289340586 -13.3471463599 -1.5 -14.8471463599 2.3331733767 0.6989179475 0.0479182496 -4.19602568 -1.6488678 -4.2190097 -1.46370102 -1.56150536 -1.00844168 0.0551145 -5.33675103 3.8152517 -2.47717032 0.97736937 -3.4027466 -8.87513513 -13.2059553 -3.36019278 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00015605-09 196698195 tox21-ror-cho-viability-p1 set1 4 -0.06064767 1.54920529 -1.97723962 -0.61911208 1.7903583 -0.75388563 -1.04056588 1.98630016 1.79752667 -5.74931651 0.90416454 0.20535762 0.63392982 0.19840557 0.09095713 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84057-84-1 3878 170465024 A Lamotrigine Clc1cccc(c1Cl)c2nnc(N)nc2N Tox21_110179_1 -NCGC00160408-03 196698183 tox21-ror-cho-viability-p1 set1 4 -4.49168718 -2.15259845 -6.67339421 -5.71391434 0.07543903 -5.3446059 -6.84001475 -1.79910359 -7.62077854 -4.49672734 -0.32746975 -3.1804564 -9.48354039 -4.37611961 -17.13496255 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68-90-6 6237 170465852 A Benziodarone Ic1cc(cc(I)c1O)C(=O)c2c3ccccc3oc2CC Tox21_111793_1 -NCGC00344544-01 196698188 tox21-ror-cho-viability-p1 set1 4 -2.30729419 1.16350462 0.51075435 -0.83912596 3.76659346 4.23384975 0.62723518 1.23391409 -4.2859903 1.00187306 0.4393103 1.29796354 0.27334746 1.37391482 2.17772801 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 81409-90-7 54746 170464667 A Cabergoline CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@@H]2c3cccc4ncc(C[C@H]2N(C1)CC=C)c34 Tox21_112589_1 -NCGC00090698-04 196698201 tox21-ror-cho-viability-p1 set1 4 -4.04773125 -1.77568457 -1.88146477 -1.06286568 -2.34837449 -2.27031142 0.56545188 -0.96031034 -7.69952543 0.56248002 0.70083576 1.31725596 0.44029826 -0.07984986 0.09552516 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00165736-04 196698608 tox21-ror-cho-viability-p1 set1 4 2.10034777 2.16164814 2.5042244 3.23878322 11.62632211 6.14816105 6.47513459 9.13379679 6.42560619 0.78891606 2.79542459 8.59478673 14.16900626 3.81556068 3.35247623 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2627-69-2 17513 170465608 A Acadesine NC(=O)c2ncn([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c2N Tox21_111551_1 -NCGC00091502-11 196698609 tox21-ror-cho-viability-p1 set1 4 0.17476218 0.8065494 0.22611232 -2.71470936 -0.17585449 -8.59265624 -6.51671782 0.0289395 -5.39860851 -4.6174533 2.70127865 1.63424043 0.13321078 -0.05565877 0.6083911 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 91-64-5 323 170465665 Z Coumarin O=C1C=Cc2ccccc2O1 Tox21_111141_1 -NCGC00018296-07 196698612 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -14.3924488639 -1 -15.3924488639 3.0654483358 0.7601693548 0.0169881855 -1.01414567 -3.72819951 1.56501276 0.81529488 -0.38446811 -2.13001495 -0.76816071 0.06088893 -3.11220869 1.29753692 -1.42282265 -0.5958201 -3.04941307 -2.94063312 -11.57704072 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1104-22-9 64713 170464899 A Meclizine hydrochloride Cl.Cl.Cc1cccc(c1)CN2CCN(CC2)C(c3ccc(Cl)cc3)c4ccccc4 Tox21_110497_1 -NCGC00254282-01 196699008 tox21-ror-cho-viability-p1 set1 -2.2 27.3060203028 -54.6627892754 1.525544648 -53.1372446274 1.98874246 0.9741414502 2.082E-7 -2.34654914 7.39376917 0.17442876 1.74476997 0.00411771 3.37225119 3.70398398 2.2067267 -2.45773038 -0.13908185 2.0426745 -5.02951485 -15.58405333 -35.78573619 -52.09533787 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105624-86-0 11723708 144210948 A A 5HPP-33 CC(C)c1cccc(C(C)C)c1N3C(=O)c2ccc(O)cc2C3=O Tox21_300631 -NCGC00254595-01 196699030 tox21-ror-cho-viability-p1 set1 4 -2.39583873 -4.99394224 0.41808577 -0.02690815 -3.27606979 -4.20360642 -0.21644164 -4.03257032 -0.30224325 -0.22550619 0.51387184 -5.25579892 0.53055049 -0.33590123 -3.8117197 1.21E-9 2.7049999999E-9 6.0489999999E-9 1.353E-8 3.0249999999E-8 6.7629999999E-8 1.512E-7 3.382E-7 7.561E-7 0.000001691 0.000003781 0.000008454 0.0000189 0.00004227 0.00009452 100-06-1 7476 144211004 A A 4'-Methoxyacetophenone COc1ccc(cc1)C(C)=O Tox21_300687 -NCGC00254269-01 196699882 tox21-ror-cho-viability-p1 set1 4 2.1689942904 -7.810942072 -1.5 -9.310942072 3.1319983358 0.66821302 0.0542803027 -3.73381196 -0.44613135 -0.66932 -8.53681703 0.48078102 0.55548653 -0.66788277 -0.89829732 -0.30360071 -3.98264534 -8.44237548 -8.06617286 -9.13329679 -6.53701323 -11.92578506 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 210826-40-7 9910393 144210780 D CP-456773 OC(C)(C)c1coc(c1)S(=O)(=O)NC(=O)Nc3c4CCCc4cc2CCCc23 Tox21_300462 -NCGC00163818-04 196699474 tox21-ror-cho-viability-p1 set1 -1.2 1.8373979259 -27.11626272 0 -27.11626272 2.4729283767 0.974543924 1.906E-7 3.56100866 -2.41024958 -0.47310472 0.72700816 2.02345962 -3.17546159 -1.35207008 -1.05264678 -1.58898735 -13.00815188 -22.34898145 -28.80312239 -25.27614565 -25.668475 -30.0968856 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00254785-01 196699870 tox21-ror-cho-viability-p1 set1 4 -0.29217532 -2.64378631 0.84245203 0.86893084 0.18619939 6.84295704 0.15571275 0.28699297 -0.02456411 1.72727625 -3.30171842 -3.04883149 0.37206501 0.69386477 -1.44509961 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 571-58-4 11304 144211198 A Ac 1,4-Dimethylnaphthalene Cc1ccc(C)c2ccccc12 Tox21_300881 -NCGC00254908-01 196699871 tox21-ror-cho-viability-p1 set1 4 0.32040662 0.23888735 -0.99316641 1.35604514 -4.04625905 -12.01255506 0.32471281 0.62160174 0.73469385 -6.53387095 -12.29175657 -0.80513886 -7.90846333 -4.33246701 -8.03269297 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1072-15-7 23677967 144211323 A A Sulfuric acid, monononyl ester, sodium salt [Na+].[O-]S(=O)(=O)OCCCCCCCCC Tox21_301006 -NCGC00163724-03 196729764 tox21-ror-cho-viability-p1 set3 4 0.4414851 3.3508376 3.73532231 0.42630395 0.7341377 -1.69710253 2.37899848 0.45347651 0.80007197 0.05856766 0.16487646 2.8426428 -4.32690554 -3.93813835 -3.23220099 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00258221-01 196729347 tox21-ror-cho-viability-p1 set3 4 -23.81271809 -1.62698351 0 -0.6235434 -14.25861456 -1.70613143 0 0 0 -1.21328982 -14.88861129 0 -2.99969814 -4.88319454 0.12075659 1.166E-9 2.6069999999E-9 5.829E-9 1.303E-8 2.9139999999E-8 6.517E-8 1.457E-7 3.2579999999E-7 7.286E-7 0.000001629 0.0000036429999999 0.000008146 0.00001821 0.00004073 0.00009107 7581-97-7 24233 144207865 FC 2,3-Dichlorobutane CC(Cl)C(C)Cl Tox21_200667 -NCGC00258135-01 196729354 tox21-ror-cho-viability-p1 set3 -1.1 27.2504920471 -87.7040388065 -3.844493692 -91.5485324985 4.9549173134 0.9879865896 2.4E-9 -1.15016497 -4.87887636 -1.16768996 -6.99912441 -1.02325985 -1.63494786 -1.35933294 -6.24085301 -1.84986721 -1.1043826 -7.66381181 -9.43081457 -14.12061297 -85.9743519 -87.18907857 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009203 121107-18-4 22678982 144207779 A A Methyltrioctylammonium trifluoromethanesulfonate C[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.FC(F)(F)S([O-])(=O)=O Tox21_200581 -NCGC00258295-01 196729746 tox21-ror-cho-viability-p1 set3 4 0.31467655 0.65753819 0.05887501 0.07739229 3.29041803 5.90129846 1.22108042 6.30829748 2.44794302 2.41003438 3.11162829 1.27256781 1.37607215 0.90550101 -0.2731355 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 71-36-3 263 144207939 A A 1-Butanol CCCCO Tox21_200741 -NCGC00258622-01 196730167 tox21-ror-cho-viability-p1 set3 4 1.24744795 0.37041853 1.54639782 1.08082792 2.02766247 -0.70134743 4.06612889 1.24984912 1.49065982 3.12992052 1.0446354 1.17088181 0.17866499 -0.17361732 0.02476762 1.167E-9 2.608E-9 5.8329999999E-9 1.304E-8 2.9159999999E-8 6.521E-8 1.458E-7 3.26E-7 7.2909999999E-7 0.0000016299999999 0.000003645 0.0000081509999999 0.00001823 0.000040759999999 0.000091129999999 96-98-0 7319 144208267 A A 4-Methyl-3-nitrobenzoic acid Cc1ccc(cc1[N+](=O)[O-])C(=O)O Tox21_201069 -NCGC00258365-01 196730169 tox21-ror-cho-viability-p1 set3 4 2.21042873 2.1120949 2.24625904 1.57429012 0.43218017 1.8285916 -1.20674625 1.68499749 0.3049098 0.23076119 2.04048902 3.4712178 -5.32138758 -0.83228981 0.11218819 1.203E-9 2.69E-9 6.015E-9 1.345E-8 3.007E-8 6.7239999999E-8 1.504E-7 3.362E-7 7.5179999999E-7 0.0000016809999999 0.000003759 0.000008406 0.0000188 0.00004203 0.00009398 109-79-5 8012 144208009 FC F 1-Butanethiol CCCCS Tox21_200811 -NCGC00257886-01 196730175 tox21-ror-cho-viability-p1 set3 4 1.30160669 -6.92369426 -19.86711115 -26.08893329 -27.35863467 -17.64480293 -8.1240976 -27.01293994 -23.87707605 0 0 0 -9.00048838 -11.15836366 -6.31440905 1.126E-9 2.5189999999E-9 5.6319999999E-9 1.259E-8 2.816E-8 6.297E-8 1.408E-7 3.149E-7 7.04E-7 0.000001574 0.0000035199999999 0.000007871 0.0000176 0.000039359999999 0.000088 57-53-4 4064 144207530 A A Meprobamate O=C(N)OCC(C)(COC(=O)N)CCC Tox21_200332 -NCGC00256389-01 196727599 tox21-ror-cho-viability-p1 set3 4 0.6113056486 11.5814171279 -11.0814171279 0.5 4.9549173134 0.4274106867 0.262192204 -3.41190895 2.61005081 -7.36426338 -7.57987385 -18.33118089 -14.83942081 -19.08135646 -20.90118094 0 0 0 2.94713591 -3.12825085 -0.07112173 -6.0748401 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 504-88-1 1678 144213324 A A 3-Nitropropionic acid [O-][N+](=O)CCC(=O)O Tox21_303007 -NCGC00256666-01 196727179 tox21-ror-cho-viability-p1 set3 4 -5.96254415 -2.03983113 -0.71427366 -6.1904809 -3.87607258 -1.36872686 -7.34224399 -4.49200223 -0.50462328 -5.57392871 -6.43517998 -21.97030053 -13.24508406 -2.00069321 -1.87086905 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-91-8 61054 144212852 A A 4-Methoxybenzyl formate COc1ccc(COC=O)cc1 Tox21_302535 -NCGC00257261-01 196727585 tox21-ror-cho-viability-p1 set3 4 0.6003391996 4.8036268279 -3.8036268279 1 4.9549173134 0.4848257295 0.1942757644 -3.48692556 -3.77697248 -1.65409887 -4.20800536 -1.03142349 -1.4155263 -4.63770579 -11.08635569 0 0 0 0.50511035 -0.44272686 2.24736761 2.64353457 1.056E-9 2.3609999999E-9 5.279E-9 1.18E-8 2.6399999999E-8 5.902E-8 1.32E-7 2.9509999999E-7 6.599E-7 0.000001476 0.0000032999999999 0.0000073779999999 0.000016499999999 0.00003689 0.000082489999999 9005-65-6 5284448 144213782 Ac Polysorbate 80 OCCOC1CC(OCCO)C(O1)C(COCCOC(=O)CCCCCCC\C=C\CCCCCCCC)OCCO Tox21_303472 -NCGC00256494-01 196727588 tox21-ror-cho-viability-p1 set3 4 2.88687876 -2.12430519 4.60663095 2.55886805 2.78081851 3.6457084 1.23926155 2.09820148 0.47527996 4.93659498 5.53789189 3.29281239 2.82669172 2.51545419 1.54713807 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.7059999999E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.000043079999999 0.000096319999999 107-41-5 7870 144213135 A A 2-Methyl-2,4-pentanediol CC(O)CC(C)(C)O Tox21_302818 -NCGC00256771-01 196727605 tox21-ror-cho-viability-p1 set3 4 -0.76024379 -2.17318126 0.19601145 -0.48205518 2.06828938 -0.36481006 2.48277444 1.25214371 1.11075433 0.53857035 1.02698701 -1.04441671 0.68885682 1.18780877 0.15879295 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 28940-11-6 120101 144213000 A F 7-Methyl-2H-1,5-benzodioxepin-3(4H)-one Cc1cc2OCC(=O)COc2cc1 Tox21_302683 -NCGC00255369-01 196728011 tox21-ror-cho-viability-p1 set3 4 3.29347636 3.28491516 6.33834838 1.69485362 3.34496931 8.80988926 1.08377936 3.84401483 3.18215449 0.3519811 14.93113937 27.6030275 3.38138512 3.68247699 1.1844619 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 28159-98-0 91590 144212584 A A Cybutryne CSc2nc(NC1CC1)nc(NC(C)(C)C)n2 Tox21_302267 -NCGC00255960-01 196710770 tox21-ror-cho-viability-p1 set2 4 3.94179731 0.27541336 0.1943773 0.75955582 -0.1974264 -0.23468468 0.65442781 0.51510187 0.00792461 0.71986654 1.32935023 0.97582389 1.39694611 2.19491826 1.54801806 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1892-29-1 15906 144212498 A A 2-Hydroxyethyl disulfide OCCSSCCO Tox21_302181 -NCGC00260290-01 196711986 tox21-ror-cho-viability-p1 set2 4 -2.25452923 -3.35767575 -4.24319592 -5.82328722 0.20016054 -10.61005786 -4.57878455 -13.83740438 0.48959459 -11.00944767 -5.71828954 -6.80623572 -12.29985512 8.98559421 -18.3294662 2.84E-10 6.351E-10 1.42E-9 3.175E-9 7.1E-9 1.5879999999E-8 3.5499999999E-8 7.939E-8 1.775E-7 3.9689999999E-7 8.8759999999E-7 0.000001985 0.000004438 0.000009923 0.00002219 136-51-6 61082 144209940 A Calcium 2-ethylhexanoate [Ca+2].[O-]C(=O)C(CC)CCCC.CCC(CCCC)C([O-])=O Tox21_202742 -NCGC00260310-01 196711997 tox21-ror-cho-viability-p1 set2 4 -9.14386946 -4.24057936 -10.61062696 -7.21684042 -5.97424912 -1.10377683 -1.24132271 -8.28384626 -21.62753104 -2.65795194 -9.10422874 -1.54687637 -1.77163048 -3.02777259 -15.03590172 2.996E-10 6.7E-10 1.498E-9 3.35E-9 7.491E-9 1.675E-8 3.746E-8 8.375E-8 1.873E-7 4.1879999999E-7 9.3639999999E-7 0.0000020939999999 0.000004682 0.00001047 0.000023409999999 52829-07-9 164282 144209961 F Bis(2,2,6,6-tetramethyl-4-piperidyl) sebacate CC2(C)CC(OC(=O)CCCCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1)CC(C)(C)N2 Tox21_202763 -NCGC00260527-01 196712000 tox21-ror-cho-viability-p1 set2 4 -2.00556599 0.41140909 -3.02918663 -2.01653227 -1.27927072 0.8570382 -0.88371688 1.38874365 -4.01924216 -3.06386095 2.04437607 -0.61115278 0.43547964 -0.10996744 -1.70569588 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.961E-8 6.622E-8 1.481E-7 3.311E-7 7.4029999999E-7 0.000001655 0.000003702 0.0000082769999999 0.00001851 0.00004138 0.00009254 29761-21-5 34697 144210179 F Isodecyl diphenyl phosphate CC(C)CCCCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2 Tox21_202981 -NCGC00255952-01 196710363 tox21-ror-cho-viability-p1 set2 4 54.4826732819 -19.3648475879 2.5 -16.8648475879 0.7999999999 0.7548653079 0.0182507404 0.19280817 6.2751983 0.26601496 3.68071208 2.91134394 3.90775603 -0.24244629 3.79149798 1.06178544 0.198788 -0.47067705 -0.75613594 -4.14517664 -2.31956264 -12.38737299 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 34643-46-4 36870 144211536 A F Prothiofos Clc1cc(Cl)ccc1OP(=S)(OCC)SCCC Tox21_301219 -NCGC00256284-01 196710763 tox21-ror-cho-viability-p1 set2 -2.4 68.5896218971 -25.506367316 0 -25.506367316 4.9549173134 0.9351876292 0.0000345254 2.75590582 0.24489371 1.30815721 0.76216719 -2.78104636 -0.68339776 0.5627094 -0.43862992 -1.761891 -2.06350047 -0.01072581 0.91924906 1.00841546 -1.84111475 -20.83863943 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3407-42-9 103005 144212093 Z F 3-(5,5,6-Trimethylbicyclo[2.2.1]hept-2-yl)cyclohexanol OC1CC(CCC1)C2CC3CC2C(C)C3(C)C Tox21_301776 -NCGC00091163-03 196710768 tox21-ror-cho-viability-p1 set2 4 0.46354412 0.4606763 2.18546084 1.03625439 0.69073144 1.84951518 2.73163402 1.29348114 -1.38336815 -1.1939839 2.49817601 2.20030811 0.51890168 0.09645971 2.7977392 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00255407-01 196710771 tox21-ror-cho-viability-p1 set2 4 -6.45387444 1.66556351 2.19732725 -1.15410247 2.09549617 3.15293424 0.10988788 -1.04802214 2.2711632 0.90398203 0.61079251 2.0458784 0.2538634 -0.29062559 -0.15446948 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1987-50-4 16143 144211865 A A 4-Heptylphenol Oc1ccc(CCCCCCC)cc1 Tox21_301548 -NCGC00255212-01 196710774 tox21-ror-cho-viability-p1 set2 4 -3.87069789 0.18688912 -1.13134722 -1.13426816 0.70875546 -1.07290354 -5.0901558 -3.15465833 -1.13083288 -0.09271984 -3.34056318 -3.83242479 -1.1617234 -3.75721375 -4.91798466 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 943-41-9 13671 144212573 Bc F N-Nitroso-N-methyl-4-nitroaniline O=NN(C)c1ccc(cc1)[N+]([O-])=O Tox21_302256 -NCGC00255174-01 196710782 tox21-ror-cho-viability-p1 set2 4 -3.22538765 0.65248666 -4.91629508 -0.53539894 -0.31410932 -2.0865319 0.63656214 -1.8760696 -0.16083491 0.62783204 -2.5716927 -3.51796526 -4.82831122 2.63048205 -2.40593221 9.143E-10 2.0439999999E-9 4.571E-9 1.022E-8 2.2859999999E-8 5.111E-8 1.143E-7 2.556E-7 5.7139999999E-7 0.0000012779999999 0.000002857 0.000006389 0.000014289999999 0.00003194 0.00007143 1762-95-4 15666 144212284 Thiocyanic acid, ammonium salt [NH4+].[S-]C#N Tox21_301967 -NCGC00255522-01 196711182 tox21-ror-cho-viability-p1 set2 4 3.05437776 -1.45324225 2.57165042 -0.21992401 -1.82214658 -4.90154329 -0.85429983 -0.4824951 0.12746866 2.8796139 2.85532678 3.57352518 4.51865435 3.1569985 -1.58318375 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 29094-61-9 3478 144212151 A A Glipizide Cc1cnc(cn1)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3 Tox21_301834 -NCGC00357150-01 196711189 tox21-ror-cho-viability-p1 set2 4 0.0172289341 85.879743852 -65.919415992 19.96032786 0.3 0.8813798503 0.0007447333 -48.29924011 -35.52672191 -29.19185892 -21.60176404 -15.72039646 -7.5139967 -8.58378602 -1.32628457 -1.32725585 -0.32537284 1.03792884 -0.74834417 4.81159714 8.29162475 31.30403849 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3647-69-6 77210 251919898 Ac 4-(2-Chloroethyl)morpholine hydrochloride (1:1) Cl.ClCCN1CCOCC1 Tox21_303894 -NCGC00259407-01 196706052 tox21-ror-cho-viability-p1 set1 4 0.0052769628 4.268144856 -3.268144856 1 4.9549173134 0.4551497784 0.2258465947 -0.44549696 -6.05678738 -0.60934785 0.25282163 -0.47625473 0.8937379 0.56721742 0.28882466 4.19497855 0 0.01166846 2.07920618 3.38536503 0.3422614 0.8201293 1.149E-9 2.569E-9 5.743E-9 1.284E-8 2.872E-8 6.421E-8 1.436E-7 3.211E-7 7.1789999999E-7 0.0000016049999999 0.0000035899999999 0.000008027 0.00001795 0.00004013 0.000089739999999 26472-00-4 3437714 144209056 FNS Methylcyclopentadiene dimer CC=2CC3C1C=C(C)C(C1)C3C=2 Tox21_201858 -NCGC00258326-01 196712252 tox21-ror-cho-viability-p1 set2 -1.1 9.8463986631 -97.5524503366 3.5238656617 -94.0285846749 2.4729283767 0.993159669 1E-10 6.27089915 4.86097723 4.80357236 0.19420323 5.9793684 0.06670566 6.32304759 7.95151641 -0.78270188 -2.53278333 -2.49254542 -38.90731373 -76.75677987 -92.73035964 -90.87002808 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.000001671 0.000003737 0.000008357 0.00001869 0.000041779999999 0.00009343 5153-67-3 5284459 144207970 A B (E)-beta-Nitrostyrene [O-][N+](=O)/C=C/c1ccccc1 Tox21_200772 -NCGC00259615-01 196706462 tox21-ror-cho-viability-p1 set1 4 0.32112201 8.23867587 6.66256959 6.21108971 3.10979885 -0.06340064 -0.00457436 -0.56184411 3.70615727 0 0.2693804 -1.01160297 0.60866041 1.21876901 -1.33875138 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.000001671 0.0000037379999999 0.000008357 0.00001869 0.00004179 0.00009344 552-30-7 11089 144209264 A A Trimellitic anhydride O=C(O)c1ccc2C(=O)OC(=O)c2c1 Tox21_202066 -NCGC00259716-01 196706039 tox21-ror-cho-viability-p1 set1 4 0.3947469225 26.648303568 -24.648303568 2 0.2 0.3801334745 0.2907670641 -20.60832378 -12.53682986 -18.67732952 -18.42885083 -14.54053289 -7.83375156 -10.87054891 -18.6328778 -3.79326322 -22.20691964 -2.30828115 -6.89420877 -6.97755476 1.9904901 -10.09018435 1.203E-9 2.6889999999E-9 6.013E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003758 0.000008404 0.000018789999999 0.00004202 0.000093959999999 28804-88-8 11317 144209365 A Dimethylnaphthalene Cc1c2ccccc2ccc1C Tox21_202167 -NCGC00259001-01 196706455 tox21-ror-cho-viability-p1 set1 4 68.3804186691 -24.9786208759 2 -22.9786208759 3.6772481694 0.6600775706 0.0584300213 -0.64527716 0.65890738 -1.07205551 1.57680459 2.62081594 -0.42665985 0.0213872 1.43690038 6.01254716 12.36264102 -1.29583811 1.4667095 0.74276704 -1.19010583 -16.64885073 1.177E-9 2.631E-9 5.884E-9 1.316E-8 2.942E-8 6.578E-8 1.471E-7 3.289E-7 7.355E-7 0.000001645 0.0000036769999999 0.000008223 0.00001839 0.00004111 0.000091939999999 52479-85-3 40399 144208648 A A Exifone Oc2ccc(C(=O)c1cc(O)c(O)c(O)c1)c(O)c2O Tox21_201450 -NCGC00258824-01 196706466 tox21-ror-cho-viability-p1 set1 4 -7.69536712 0.23974417 -1.96743181 -12.19398232 -0.06428753 -7.99272994 -3.03142161 -7.6639073 -2.56398917 0 1.49022014 -0.13193412 -7.02507379 1.92573824 5.71554493 1.1679999999E-9 2.6109999999E-9 5.838E-9 1.305E-8 2.919E-8 6.5269999999E-8 1.459E-7 3.2629999999E-7 7.297E-7 0.0000016319999999 0.0000036489999999 0.000008159 0.000018239999999 0.000040789999999 0.00009122 51-30-9 5807 144208470 A A Isoproterenol hydrochloride Cl.Oc1ccc(cc1O)C(O)CNC(C)C Tox21_201272 -NCGC00259719-01 196706868 tox21-ror-cho-viability-p1 set1 2.1 22.2760246656 72.0002483955 -15.20507355 56.7951748455 4.5044702849 0.8775797892 0.0014470449 -20.48505497 -10.93972566 -18.61331543 -18.31769435 -5.99305881 -14.50890108 -9.72122381 -14.02781595 -15.77506698 -2.79396824 -33.97246276 -14.11275506 15.81634097 53.83694605 -10.6702326 1.328E-9 2.9689999999E-9 6.638E-9 1.484E-8 3.3189999999E-8 7.4219999999E-8 1.66E-7 3.711E-7 8.298E-7 0.0000018549999999 0.000004149 0.000009277 0.000020739999999 0.00004638 0.0001037 15625-89-5 27423 144209368 D Trimethylolpropane triacrylate O=C(C=C)OCC(COC(=O)C=C)(CC)COC(=O)C=C Tox21_202170 -NCGC00259757-01 196706869 tox21-ror-cho-viability-p1 set1 4 6.1815034192 9.112614508 -9.6319845 -0.519369992 4.9549173134 0.4018022815 0.2870419292 -16.77665375 -9.90553558 -10.29309705 -16.70482166 -6.55021522 -5.3842324 -0.8952735 -8.98199884 -4.43693789 -15.48195949 -10.21390571 -1.67311154 -0.01614166 -0.84366234 -8.18076921 1.191E-9 2.663E-9 5.955E-9 1.332E-8 2.977E-8 6.6579999999E-8 1.489E-7 3.3289999999E-7 7.4429999999E-7 0.0000016639999999 0.0000037219999999 0.000008322 0.00001861 0.000041609999999 0.00009304 112-70-9 8207 144209406 A A 1-Tridecanol CCCCCCCCCCCCCO Tox21_202208 -NCGC00259950-01 196706870 tox21-ror-cho-viability-p1 set1 -1.2 8.415857652 -33.275245344 -0.5 -33.775245344 0.9999999999 0.9290797264 0.0000551087 -1.29079535 -2.83319388 -0.56807837 -0.58863972 -1.70446302 2.23417826 1.93682236 -2.89470106 -3.80071934 -0.93161534 -17.85123337 -12.20795784 -24.90065556 -27.17604278 -31.47937112 1.155E-9 2.582E-9 5.773E-9 1.291E-8 2.886E-8 6.454E-8 1.443E-7 3.227E-7 7.216E-7 0.000001614 0.000003608 0.000008068 0.000018039999999 0.00004034 0.0000902 154-42-7 2723601 144209599 A A 6-Thioguanine NC2=Nc1ncnc1C(=S)N2 Tox21_202401 -NCGC00259231-01 196706880 tox21-ror-cho-viability-p1 set1 4 55.3703687255 -27.18490596 3.5 -23.68490596 1.8616924601 0.8241603257 0.0046076465 4.46970309 6.6746494 1.66721485 0.17952364 5.47219426 5.17181262 2.22249116 -1.76106657 5.01762521 8.63176564 2.80583485 1.50008498 0.98305528 -6.43744234 -16.4040883 1.196E-9 2.6749999999E-9 5.982E-9 1.338E-8 2.9909999999E-8 6.6879999999E-8 1.496E-7 3.344E-7 7.478E-7 0.0000016719999999 0.0000037389999999 0.00000836 0.00001869 0.000041799999999 0.00009347 103-85-5 676454 144208880 F 1-Phenyl-2-thiourea S=C(N)Nc1ccccc1 Tox21_201682 -NCGC00257038-01 196707276 tox21-ror-cho-viability-p1 set1 4 0.0086349218 -13.4787102601 -1.0747180719 -14.553428332 4.9549173134 0.6073876748 0.091737853 -1.59123797 -3.24087762 -0.06226506 -15.66883729 -14.34973468 -19.32925898 -16.79278068 -18.41702662 -6.95707992 -22.54452361 -13.0478267 -9.14602902 -10.37998233 -14.47137008 -11.24776936 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-44-1 7050 144213602 A A 7-Diethylamino-4-methylcoumarin CCN(CC)c1ccc2c(c1)OC(=O)C=C2C Tox21_303285 -NCGC00256608-01 196707292 tox21-ror-cho-viability-p1 set1 -2.2 48.5577336745 -65.5530003257 -1.1099677999 -66.6629681256 1.331 0.9564048445 0.0000039554 0.59742942 -0.8437753 0.43427935 0.4347644 -2.32841225 -1.5534129 -0.22838995 -3.81252014 -1.70020697 -2.8879655 -1.98240332 -10.75628221 -18.05350354 -22.56447 -50.50224858 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 612-83-9 11933 144213211 A A 3,3'-Dichlorobenzidine dihydrochloride Cl.Cl.Nc1ccc(cc1Cl)c2ccc(N)c(Cl)c2 Tox21_302894 -NCGC00095152-09 196725598 tox21-ror-cho-viability-p1 set3 4 0.0473079441 13.5671128519 -2.5671128519 11 0.5999999999 0.6185342478 0.0974498981 -1.44306548 -2.13926071 0.08548546 1.9504864 1.99829172 2.9548757 8.33879589 -0.74664494 10.69844095 8.45173864 16.94039609 8.79767409 4.57911079 12.9443745 4.1179636 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 81403-68-1 71764 170465022 A Alfuzosin hydrochloride Cl.O=C(NCCCN(C)c2nc1cc(OC)c(OC)cc1c(N)n2)C3CCCO3 Tox21_110701_1 -NCGC00247665-04 196725578 tox21-ror-cho-viability-p1 set3 -2.4 8.1961467758 -33.329418544 4 -29.329418544 2.4063783767 0.842497371 0.0028112452 -1.79836029 2.95100238 -1.89162563 2.50677837 2.52874854 1.43106997 5.75818353 13.55562209 4.6609234 7.99817413 6.23535586 1.79791816 1.68436433 -20.50536073 -25.69118212 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 58579-51-4 60196296 170465269 A Anagrelide hydrochloride Cl.Oc1cn2Cc3c(Nc2n1)ccc(Cl)c3Cl Tox21_112568_1 -NCGC00249607-02 196725582 tox21-ror-cho-viability-p1 set3 4 0.0943917582 9.330763536 -6.830763536 2.5 4.9549173134 0.6564309303 0.0718713083 -11.52563628 -7.67010362 -9.11052058 2.49308702 -5.19908751 -8.26376781 -6.14200831 5.03353399 0.6169443 1.91595425 4.18846105 3.29555023 0.07683215 2.16932085 -6.10833087 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 28868-76-0 120070 170466696 F Dimethyl chloromalonate COC(=O)C(Cl)C(=O)OC Tox21_113538_1 -NCGC00090776-02 196725994 tox21-ror-cho-viability-p1 set3 4 3.13081003 1.41212317 0.70690176 -0.23580494 -11.77635817 2.17494244 -0.03553845 -0.96568537 2.33582031 -0.90775791 2.39382025 -0.33196189 -0.34667701 3.65648929 3.23168894 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00090750-04 196725999 tox21-ror-cho-viability-p1 set3 4 -11.07800612 -8.47166725 2.2331065 6.51497593 -9.70281038 5.10523009 -13.63780348 -11.86144764 1.97264296 -12.45569156 4.71632601 -13.21064657 -0.83401831 2.36242631 -9.51890724 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00165787-03 196726001 tox21-ror-cho-viability-p1 set3 4 7.34562616 3.82090016 4.51384011 3.86596289 4.01929086 6.77362567 5.35935081 5.82597795 -0.32807039 -0.00574777 3.82847201 2.33164005 5.05010513 4.27442345 2.57746252 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79094-20-5 54343 170466199 A Daltroban O=S(=O)(NCCc1ccc(CC(=O)O)cc1)c2ccc(Cl)cc2 Tox21_112262_1 -NCGC00253738-01 196726005 tox21-ror-cho-viability-p1 set3 4 -6.96566215 0 -8.56659754 -10.26952095 -3.79477097 -8.33418938 -8.42746011 -8.64562688 4.90669199 -4.58805824 -7.78631103 -9.75731035 -9.51177387 -7.06981631 -7.42593264 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 306-20-7 9376 170466532 A A Fenaclon ClCCC(=O)NCCc1ccccc1 Tox21_113856 -NCGC00025303-06 196726012 tox21-ror-cho-viability-p1 set3 1.2 8.4126743008 56.6691766984 1.5419603575 58.2111370559 2.2526478767 0.9731843767 2.562E-7 -1.97341712 3.10562878 1.44800286 0.37556266 -1.67725069 0.20745808 3.58761664 -2.52846767 6.66180894 6.14396206 8.51981813 7.34630671 35.11477024 51.25819945 55.9491011 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84225-95-6 3033769 170466218 A Raclopride CCN2CCC[C@H]2CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC Tox21_110961_1 -NCGC00257250-01 196726415 tox21-ror-cho-viability-p1 set3 4 -4.24765191 -5.23538037 -4.62520244 -4.80860924 -2.11827269 -3.97017778 1.08879605 -1.12802498 -1.30143779 2.86365484 0.66889129 1.12244783 2.26449562 -4.45377154 -2.77488642 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21245-02-3 30541 144213879 A A 2-Ethylhexyl 4-(dimethylamino)benzoate CN(C)c1ccc(cc1)C(=O)OCC(CC)CCCC Tox21_303574 -NCGC00257387-01 196726416 tox21-ror-cho-viability-p1 set3 4 1.25332256 0.79345814 -0.52889662 -6.73780549 -5.59300578 0.3437848 -0.27949457 -0.19562142 1.70038937 0.90785632 5.12812471 0.20558072 0.09833201 1.23478159 -5.41657638 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 39905-57-2 38360 144213799 A A 4-Hexyloxyaniline Nc1ccc(OCCCCCC)cc1 Tox21_303490 -NCGC00257210-01 196726417 tox21-ror-cho-viability-p1 set3 4 0.006804268 48.35226225 29.48810928 5.93835695 3.37443633 -0.94530656 0.05181848 -2.18041018 -1.63831131 -13.24381931 0.36277281 -13.0416186 16.33454111 4.60978157 2.399483 3.19334634 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 473-55-2 10129 144213597 F Pinane CC2(C)C1CC2C(C)CC1 Tox21_303280 -NCGC00015042-11 196726164 tox21-ror-cho-viability-p1 set3 4 1.28600599 10.6020487 -1.30222679 6.86866621 9.40633946 11.22604523 -5.74050266 8.22693884 8.25371451 -5.44673246 10.89654581 5.40277657 5.82235255 6.35882611 4.94761634 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 179113-91-8 5283389 170466894 A N-Arachidonylglycine O=C(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)NCC(=O)O Tox21_110070_1 -NCGC00160517-03 196725752 tox21-ror-cho-viability-p1 set3 4 9.4391758155 -26.108625772 8 -18.108625772 2.3031167061 0.5109887001 0.1849216735 0.34555327 8.90668404 2.00216287 6.672876 -2.26984774 6.88748478 6.91582221 11.42151747 23.63772013 12.77573592 13.39577279 1.09812272 -3.13689386 -14.67385481 19.33426807 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5355-16-8 21453 170466394 A Diaveridine Nc2nc(N)ncc2Cc1ccc(OC)c(OC)c1 Tox21_111866_1 -NCGC00016035-13 196712827 tox21-ror-cho-viability-p1 set2 4 3.79922605 3.31081114 3.04353177 1.90208666 4.19051203 0.91998829 -0.09136923 1.20625633 -0.62952463 1.39946616 -0.10225381 0.8922082 -0.48490221 0.14452766 3.9565252 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25332-39-2 62935 170465234 A Trazodone hydrochloride Cl.Clc1cccc(c1)N2CCN(CC2)CCCN3N=C4C=CC=CN4C3=O Tox21_110286_1 -NCGC00260583-01 196712403 tox21-ror-cho-viability-p1 set2 4 0.3201660989 0.96854174 -1.03495523 2.37033205 -25.72431997 0.67245365 -0.86826586 -1.77896919 -12.60737226 -9.34072257 -0.00489905 -14.65898779 0 -30.19468879 -16.35592496 -21.34212743 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49479 144210236 M M NTP Mix33 CT1 1-EQP Tox21_203038 -NCGC00015983-04 196712818 tox21-ror-cho-viability-p1 set2 4 2.24175074 -0.40971348 -4.71837386 0.86348903 -0.96290586 0.85434815 1.01185621 -1.24133584 -0.0026028 0.57243175 1.82202902 -0.70899794 1.10130718 -0.31085441 0.94663617 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2062-77-3 11647992 170466426 A Trifluperidol hydrochloride Cl.FC(F)(F)c1cccc(c1)C3(O)CCN(CCCC(=O)c2ccc(F)cc2)CC3 Tox21_111284_1 -NCGC00091205-03 196712822 tox21-ror-cho-viability-p1 set2 4 -4.01429727 -3.91723163 -0.15618957 -3.55740825 -3.5196921 -3.65255781 0.24210444 -0.2883159 -0.64175223 -2.95459564 0.57438463 -0.12988203 -0.2913371 0.51459542 -3.08611604 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00016850-15 196713250 tox21-ror-cho-viability-p1 set2 4 0.20207684 0.72349309 1.54031726 0.23965672 0.89117881 -0.2807378 0.48126042 0.19889371 -0.75591052 1.52534385 0.30144787 0.05060005 0.72634713 1.17095127 -0.28257805 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 41859-67-0 39042 170465743 A Bezafibrate O=C(NCCc1ccc(OC(C)(C)C(=O)O)cc1)c2ccc(Cl)cc2 Tox21_110645_1 -NCGC00016366-04 196713651 tox21-ror-cho-viability-p1 set2 4 1.26755385 -0.04708357 -0.12792095 -0.26018642 0.80341545 0.37138637 -0.18037883 0.38188548 0.98160157 0.27604949 2.18776784 0.53328794 0.98497793 -0.4830733 3.60323356 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 115-46-8 15723 170466593 A Azacyclonol OC(c1ccccc1)(C2CCNCC2)c3ccccc3 Tox21_110399_1 -NCGC00262533-02 196713653 tox21-ror-cho-viability-p1 set2 4 -2.64130187 -2.84002272 -2.70654269 -4.40721173 -3.58624962 -6.28987216 0.00506288 -2.98031868 -3.53433316 -1.80536968 -3.02528692 -4.60497091 -3.11213244 -2.70739356 -1.62622764 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4880-88-0 71203 170466205 A (-)-Eburnamonine O=C1C[C@@]5(CCCN4CCc3c(n1c2ccccc23)[C@@H]45)CC Tox21_110060_1 -NCGC00182705-02 196713658 tox21-ror-cho-viability-p1 set2 4 0.20194216 -1.07663144 0.29957214 2.18571623 0.71593318 0.76808924 4.2354127 0.48648699 4.29728127 2.83694894 3.54174609 0.74781956 2.91640733 -1.73438509 -1.61971865 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3964-81-6 19861 170464865 A Azatadine CN1CC\C(CC1)=C2\c4ncccc4CCc3ccccc23 Tox21_112982_1 -NCGC00160496-02 196713663 tox21-ror-cho-viability-p1 set2 4 -5.36277865 -0.90597789 -1.22475054 -4.55665473 0.10718019 -4.57039327 -4.61433454 -0.1126211 -0.35995408 1.27495848 -0.73944101 0.11562303 0.01063632 -0.73685763 -0.13736741 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 537-17-7 10832 170466269 A Amanozine Nc2ncnc(Nc1ccccc1)n2 Tox21_111855_1 -NCGC00255061-01 196714063 tox21-ror-cho-viability-p1 set2 1.1 5.4482673282 62.054352477 -0.234286906 61.820065571 4.9549173134 0.9988228351 0 -0.58920682 -0.94979517 -1.21815945 -0.58794571 -0.12035997 -1.47765099 0.47143964 1.19163265 -0.22774448 -0.17773913 6.69301798 53.87745285 63.13340619 61.29773996 47.68439671 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 118134-30-8 86160 144211480 A Ac Spiroxamine CC(C)(C)C1CCC2(CC1)OCC(CN(CC)CCC)O2 Tox21_301163 -NCGC00357177-01 196712010 tox21-ror-cho-viability-p1 set2 2.4 76.9588215421 28.235480204 1.764519796 30 0.9999999999 0.7618228517 0.0162217248 0.13202228 0.5624246 -0.24620713 2.14541279 -0.61290017 0.70135143 3.58489811 7.25880912 2.04541037 5.34736193 -0.16057418 5.96226746 4.66394082 8.25589298 21.96251594 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2588-04-7 17425 251919771 F Phorate sulfone CCOP(=S)(OCC)SCS(=O)(=O)CC Tox21_303939 -NCGC00257676-01 196711606 tox21-ror-cho-viability-p1 set2 4 -2.71545889 1.17187977 -0.04602409 0.48794032 1.24934628 2.24743452 -2.59099586 -12.63411401 -4.00961751 1.58631444 -15.78803557 -39.40612622 0.45822967 0.12403969 -14.54469419 1.194E-9 2.671E-9 5.9709999999E-9 1.335E-8 2.986E-8 6.676E-8 1.493E-7 3.338E-7 7.464E-7 0.000001669 0.000003732 0.000008345 0.00001866 0.000041729999999 0.000093299999999 50-02-2 5743 144207320 A A Dexamethasone OCC(=O)[C@@]4(O)[C@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_200122 -NCGC00260530-01 196711608 tox21-ror-cho-viability-p1 set2 -2.2 61.130564862 -62.4317196645 -3.568173743 -65.9998934075 3.9294729863 0.9612191612 0.0000020632 -0.11792561 -9.87963854 -5.61702412 -1.70773741 -1.16898485 -3.09041342 -2.51644175 -3.50012679 -6.36613077 -5.44884424 -4.69145327 -0.7948425 0 -15.2070363 -55.68173743 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 120-32-1 8425 144210183 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_202985 -NCGC00091505-07 196713500 tox21-ror-cho-viability-p1 set2 4 -0.31900859 -2.97301742 0.49437387 0.47344935 1.30612108 -0.50416184 0.76732965 0.62424425 -0.98225465 0.25461575 0.45511903 -0.89822839 -0.49869152 0.12171097 0.88893546 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67-20-9 4509 170464739 A Nitrofurantoin O=[N+]([O-])c2ccc(/C=N/N1CC(=O)NC1=O)o2 Tox21_111142_1 -NCGC00164615-02 196712672 tox21-ror-cho-viability-p1 set2 1.1 2.9849294812 85.3033943852 -2.074780937 83.2286134482 4.9549173134 0.9879428614 2.5E-9 -1.46995225 -0.75432682 -6.88009944 -4.98103332 0.20659886 0.570124 -4.99625204 0.67551237 -0.99041748 0.5157104 3.43474505 72.44119727 84.04855639 89.49313274 72.70368132 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123447-62-1 65947 170465849 A Prulifloxacin CC=5OC(=O)OC=5CN1CCN(CC1)c2cc3c(cc2F)C(=O)C(=C4SC(C)N34)C(=O)O Tox21_112235_1 -NCGC00159483-04 196713085 tox21-ror-cho-viability-p1 set2 4 3.48446959 0.20618253 0.12708039 4.13247161 -0.94915664 -1.74581007 -1.21159664 0.24140066 -1.35515714 3.17669578 -1.73678819 1.91327248 -1.40476704 -1.76808131 0.72840495 5.899E-11 1.319E-10 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 747-36-4 12947 170464696 F Hydroxychloroquine sulfate O=S(=O)(O)O.CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 Tox21_111707_1 -NCGC00249923-01 196713091 tox21-ror-cho-viability-p1 set2 4 3.08614412 2.14764731 0.25849349 2.28929538 -0.28798845 -0.07400141 0.3079594 0.05199825 -1.10843363 -0.96305668 -1.74310336 2.1635622 -0.74329919 -4.08074735 -3.14163918 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14929-11-4 5217 170466018 F A Cholesolvin Clc2ccc(OC(C)(C)C(=O)OCCCOC(=O)C(C)(C)Oc1ccc(Cl)cc1)cc2 Tox21_113699 -NCGC00164617-04 196713502 tox21-ror-cho-viability-p1 set2 -2.1 29.8492948118 -98.3616941532 0.60409101 -97.7576031432 2.3031167061 0.9521777894 0.0000065825 3.08273017 4.90029964 2.41060289 2.18770897 1.1676357 1.33677645 2.31982095 0.06823024 -0.14345858 0.62098957 -0.59393107 -7.72543264 -16.33070907 -21.32015124 -74.05879026 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 106685-40-9 60164 170464674 F Adapalene O=C(O)c1ccc2cc(ccc2c1)c3cc(c(OC)cc3)C46CC5CC(CC(C4)C5)C6 Tox21_112236_1 -NCGC00016255-10 196713507 tox21-ror-cho-viability-p1 set2 4 2.9849294812 -14.958848668 7.5 -7.458848668 0.3 0.6939935276 0.0508139982 6.0590254 6.57117004 4.13867117 7.43499484 7.1871001 3.15548958 2.82198834 2.28040824 0.02700984 0.53995391 3.56940517 1.89191763 0.14700322 -5.38237389 4.5141055 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-96-5 5342 170464677 A Sulfinpyrazone O=C4C(CCS(=O)c1ccccc1)C(=O)N(c2ccccc2)N4c3ccccc3 Tox21_110331_1 -NCGC00018172-09 196713510 tox21-ror-cho-viability-p1 set2 4 -4.3687263 1.07001332 0.32740179 0.29700333 -0.04174954 -0.80591004 0.37580593 1.33080401 0.46785609 1.08242445 0.44534296 0.99221984 1.20290468 -0.27140891 2.84582022 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26807-65-8 3702 170465366 A Indapamide NS(=O)(=O)c1cc(ccc1Cl)C(=O)NN2c3ccccc3CC2C Tox21_110775_1 -NCGC00254388-01 196713914 tox21-ror-cho-viability-p1 set2 -3 45.0775228087 -42.9568964799 1 -41.9568964799 4.9549173134 0.9745936364 1.888E-7 -0.72791422 0.30176432 0.80516745 0.27069917 1.79999452 1.3507309 -1.99621481 -0.05306116 1.23073798 3.23411592 0.11291691 2.13731144 2.87006356 -0.69869005 -36.2140804 8.3169999999E-10 1.86E-9 4.159E-9 9.299E-9 2.079E-8 4.6489999999E-8 1.0399999999E-7 2.325E-7 5.198E-7 0.0000011619999999 0.000002599 0.000005812 0.000013 0.000029059999999 0.00006498 789-02-6 13089 144210939 A A o,p'-DDT Clc2ccccc2C(c1ccc(Cl)cc1)C(Cl)(Cl)Cl Tox21_300622 -NCGC00254177-01 196713921 tox21-ror-cho-viability-p1 set2 4 54.4826732819 -16.89722728 -0.5 -17.39722728 3.1319983358 0.9162472113 0.0001339837 -3.11496411 0.31983141 -1.65936753 -0.74429386 -1.19226761 -0.25781344 0.59571314 -1.59160557 0.35839098 -1.98212548 0.00093316 0.90059268 -1.39562089 -5.43554202 -14.4976894 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-28-2 5757 144210608 A A 17beta-Estradiol Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)CC[C@@H]12)c4cc3 Tox21_300288 -NCGC00256630-01 196708110 tox21-ror-cho-viability-p1 set1 4 -3.43149311 -1.48981732 -8.11648663 -2.4929092 6.49426155 3.58910903 0.02567058 -0.13111722 2.32350189 -4.51431919 -5.79896979 -0.86020066 3.64940725 0.2339161 3.80156865 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1117-55-1 14228 144212895 A Fns Hexyl octanoate O=C(CCCCCCC)OCCCCCC Tox21_302578 -NCGC00257050-01 196707698 tox21-ror-cho-viability-p1 set1 -2.2 51.6864653074 -48.1548556829 -2.559658629 -50.7145143119 1.8851180601 0.7957071677 0.0086809995 -1.54948211 -0.25249114 -11.16401998 1.28611985 -0.81328359 -0.72830218 -1.11470647 -12.03501369 1.58269051 -2.89696165 2.17649969 -0.98178928 -15.24976414 -14.3647559 -38.4200866 1.026E-9 2.295E-9 5.132E-9 1.147E-8 2.5659999999E-8 5.737E-8 1.283E-7 2.8689999999E-7 6.4149999999E-7 0.000001434 0.0000032069999999 0.0000071719999999 0.00001604 0.00003586 0.00008018 3194-55-6 18529 144213493 A A 1,2,5,6,9,10-Hexabromocyclododecane BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br Tox21_303176 -NCGC00256353-01 196707706 tox21-ror-cho-viability-p1 set1 4 -7.53450603 -4.31587475 -1.98185637 0.27799963 -5.16755291 -4.37726147 -2.32394202 -12.09075213 -5.1015944 0.62146891 -4.02484318 -3.21267468 -7.35929669 -9.61033968 -6.00504931 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-07-8 441140 144213322 A A Griseofulvin O=C2c3c(O[C@]12C(=CC(=O)C[C@H]1C)OC)c(Cl)c(OC)cc3OC Tox21_303005 -NCGC00257220-01 196727666 tox21-ror-cho-viability-p1 set3 4 0.002730602 -8.8655143761 9 0.1344856239 2.3331733767 0.6011003431 0.0980163563 8.0372446 5.27478217 0.42438934 0.03539889 -0.61349917 0.48203292 -2.71968728 -4.47126198 1.17223797 -0.26319884 3.14007555 0.04306389 2.19532525 1.80260009 1.36235588 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-35-6 8178 144213432 A A 2-[2-(2-Methoxyethoxy)ethoxy]ethanol OCCOCCOCCOC Tox21_303115 -NCGC00257283-01 196727245 tox21-ror-cho-viability-p1 set3 4 4.45715314 2.78440997 4.12750199 0.4116317 0.29352869 0.98015093 -0.0659941 -3.11338412 -2.49197141 -2.48580877 -3.77664068 7.84962318 0.62562424 -1.93845287 8.68151077 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 797-63-7 13109 144213960 A A Norgestrel O=C4CC[C@H]3C(CC[C@@H]2[C@@H]3CC[C@@]1(CC)[C@H]2CC[C@@]1(O)C#C)=C4 Tox21_303658 -NCGC00256378-01 196727254 tox21-ror-cho-viability-p1 set3 4 2.07045429 2.04668094 -4.93163914 -1.6861006 -1.14785917 0 -3.38761288 0 0 -2.22619989 0 0.03734004 -11.77101221 -3.56307039 -1.7646378 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1917-15-3 74710 144213144 A A 5-Methyl-2-furancarboxylic acid O=C(O)c1ccc(C)o1 Tox21_302827 -NCGC00256456-01 196727268 tox21-ror-cho-viability-p1 set3 4 1.10750485 -0.7510713 0.34445011 -0.74259712 1.37458346 0.76424802 4.19841319 0.92705917 2.24772239 2.92452753 2.08829725 2.99658941 1.79486758 3.94940464 0.16851313 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-94-1 743 144213188 Ac A Pentanedioic acid O=C(O)CCCC(=O)O Tox21_302871 -NCGC00256379-01 196727676 tox21-ror-cho-viability-p1 set3 4 9.6885416101 -6.472015652 -1 -7.472015652 3.9294729863 0.6043222528 0.1096160685 -2.62414837 -1.84592837 -1.24593544 0.54468442 0 -3.96224354 0 0 0 0 0 -2.25226728 -11.22667971 -4.24939901 -1.01348194 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-11-4 8785 144213158 A Ac Benzyl acetate CC(=O)OCc1ccccc1 Tox21_302841 -NCGC00256873-01 196727680 tox21-ror-cho-viability-p1 set3 4 54.4826732819 -11.49724412 1.5 -9.99724412 4.4494702849 0.8109559776 0.0064489503 -0.5472049 4.00145702 0.76213042 2.07926868 1.7773884 1.45969849 2.15051528 2.89839779 1.42135193 1.05906594 1.42101368 -1.760719 2.22762371 -1.09091253 -9.1643701 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4994-16-5 21096 144212833 A Ac 4-Phenyl-1-cyclohexene c1cc(ccc1)C2CC=CCC2 Tox21_302516 -NCGC00257280-01 196718631 tox21-ror-cho-viability-p1 set2 4 -2.92257521 1.22806477 -2.3833635 -3.54201885 -3.99568969 -2.98082412 -0.70728434 -0.20262618 0.18294359 2.14659548 -0.26758248 -3.31999885 -1.47341057 -2.67480309 -0.97370382 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 79098-20-7 2757748 144213783 A Ac 4-Chloropentylbenzene Clc1ccc(CCCCC)cc1 Tox21_303473 -NCGC00257380-01 196718620 tox21-ror-cho-viability-p1 set2 4 0.9770871 0.54820128 -0.53026036 4.10288457 0.38284789 5.03220869 1.34757434 3.42922091 2.77915541 0.32553137 -0.49389122 0.90871712 2.67030162 0.07965733 2.2963117 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19438-61-0 88069 144213710 A A 4-Methylphthalic anhydride Cc1ccc2C(=O)OC(=O)c2c1 Tox21_303399 -NCGC00257099-01 196718623 tox21-ror-cho-viability-p1 set2 4 1.59974454 0.77573227 0.12858824 2.4001217 1.95167348 5.26538265 0.40464259 5.99849246 3.00556163 3.65887309 6.43249115 -2.36355871 -0.05013111 1.21017211 4.4099174 1.227E-9 2.7439999999E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.669E-7 0.000001715 0.000003834 0.000008574 0.00001917 0.000042869999999 0.00009586 104-94-9 7732 144213356 A A 4-Methoxyaniline Nc1ccc(OC)cc1 Tox21_303039 -NCGC00257330-01 196718629 tox21-ror-cho-viability-p1 set2 4 -1.59593079 0.18916669 -1.05815182 3.36600636 -3.15663075 -0.3230451 -3.51544416 2.6040271 -0.02727236 4.31858491 4.83135213 -1.69097 0.3120719 -3.63179461 -3.71152736 1.0059999999E-9 2.248E-9 5.028E-9 1.124E-8 2.514E-8 5.621E-8 1.257E-7 2.811E-7 6.2849999999E-7 0.0000014049999999 0.0000031419999999 0.000007027 0.00001571 0.00003513 0.00007856 91465-08-6 6440554 144213734 A A lambda-Cyhalothrin Cl\C(=C/[C@H]3[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc1ccccc1)c2)C3(C)C)C(F)(F)F Tox21_303423 -NCGC00254234-01 196714492 tox21-ror-cho-viability-p1 set2 4 1.56121134 1.40369113 7.18261991 0.25468552 1.10201874 1.48814268 1.07094131 1.77307454 0.96774306 3.9610893 1.6783272 0.00584915 6.84599057 2.16410197 9.55528192 8.63E-10 1.93E-9 4.315E-9 9.648E-9 2.1569999999E-8 4.8239999999E-8 1.079E-7 2.4119999999E-7 5.394E-7 0.000001206 0.0000026969999999 0.00000603 0.00001348 0.000030149999999 0.00006742 114-07-8 12560 144210833 D Erythromycin CN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]3O Tox21_300515 -NCGC00254923-01 196714068 tox21-ror-cho-viability-p1 set2 4 0.0068519876 -6.279418524 2 -4.279418524 1.826479391 0.3130846424 0.3721327904 2.58812627 -0.2185578 -0.31655014 -1.61556559 -6.14338721 -5.40217549 0.20994293 -8.98284877 -7.98878768 -6.65310337 -5.92996148 -1.06638373 -4.0376185 2.68917388 1.0364423 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 1912-24-9 2256 144211338 A A Atrazine Clc1nc(NCC)nc(NC(C)C)n1 Tox21_301021 -NCGC00254924-01 196714085 tox21-ror-cho-viability-p1 set2 4 0.0136854288 -6.2135819599 0.5 -5.7135819599 1.692447691 0.3051966323 0.3785198835 1.32020291 -1.05385879 0.78083516 -5.11810702 0.05864988 -7.13403411 -13.5113183 -4.27285499 -8.59384561 -7.47983868 -4.04715866 0.0562026 -9.03301791 -0.49101677 -1.2557735 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6306-60-1 80566 144211339 A A (2,4-Dichlorophenyl)acetonitrile Clc1cc(Cl)ccc1CC#N Tox21_301022 -NCGC00254090-01 196714086 tox21-ror-cho-viability-p1 set2 4 13.6854287769 -15.737361372 2 -13.737361372 1.826479391 0.9327493309 0.000042063 1.39826584 1.01889282 3.61457178 1.681492 0.71380383 2.35951604 2.91628791 0.47321801 1.59766049 0.89336812 0.36521165 -0.61621632 -9.67140082 -13.11446781 -10.31630358 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47334 24809526 144210582 A A MK-968 Fc1ccccc1[C@@H](F)CO[C@H]2CC[C@@H](CC2)NC=3NC=NC4=NN=CC=34 Tox21_300262 -NCGC00090701-06 196714493 tox21-ror-cho-viability-p1 set2 4 0.0121971512 -5.5690550519 1.5 -4.0690550519 3.0654483358 0.3580054407 0.3304775005 0.65772523 0.37607886 3.97637208 -2.67621653 -4.16642801 -0.82101336 -8.39087921 0.49578407 -6.5532868 -7.1451801 -5.50280347 -4.81497284 -1.96260139 1.35729976 -0.62042674 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00244579-01 196714902 tox21-ror-cho-viability-p1 set2 -2.4 68.5896218971 -32.3985644759 1 -31.3985644759 4.9549173134 0.9250287409 0.0000740987 -0.23353572 -0.86023356 -0.04656749 -1.01643104 0.73188236 2.25920017 -0.36324589 1.0691122 -0.7732664 3.92045379 -1.32533344 2.96584521 4.36706043 1.14797431 -25.74880373 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00160537-04 196714910 tox21-ror-cho-viability-p1 set2 4 -0.94944482 2.21174336 -0.87065201 1.27515489 0.09683266 -0.06782886 2.86022358 0.7708052 1.46844704 0.19412424 0.31961851 1.693818 0.94590588 0.85147591 -0.97768432 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00254521-01 196714744 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -25.17300132 1 -24.17300132 4.9549173134 0.9615781436 0.0000019813 2.29664131 2.23285352 0.82089744 1.02368695 0.09025303 1.35085836 0.10348889 0.13180861 -0.17077952 0.18372478 0.13904587 1.91239588 2.59008729 1.07922068 -19.7275011 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-70-8 7309 144210708 A A 2-tert-Butyl-4-ethylphenol CC(C)(C)c1cc(ccc1O)CC Tox21_300390 -NCGC00090750-04 196715564 tox21-ror-cho-viability-p1 set2 4 27.6395842712 -24.13832642 0.5 -23.63832642 1.031 0.8159402573 0.0056087124 3.6542608 -1.12775366 1.31525829 0.75540748 0.08082303 2.21592887 1.30285697 -7.6708538 0.46350428 0.45987552 -5.13846855 -1.28224258 -11.7585205 -12.25381428 -19.69860535 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00254510-01 196714761 tox21-ror-cho-viability-p1 set2 4 0.44440701 -2.81261997 -2.17045709 0.29881239 -1.35149898 -0.31266533 -0.39412793 0.26082704 -4.03498775 -0.70196351 -0.82425073 -4.89566466 -0.04966341 0.25737539 -8.64192388 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144210697 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_300379 -NCGC00254184-01 196714343 tox21-ror-cho-viability-p1 set2 4 0.68948533 0.2611134 0.71938536 -1.28234385 -0.80226738 2.13786646 3.21887041 -0.04371307 3.35099266 2.87646964 2.75905347 4.30055701 1.07201352 1.68088878 -0.35858589 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-40-7 66166 144210518 A A Bisphenol B Oc1ccc(cc1)C(C)(CC)c2ccc(O)cc2 Tox21_300198 -NCGC00254180-01 196714758 tox21-ror-cho-viability-p1 set2 4 0.11765347 -2.53675025 -3.51172054 -2.99720664 -3.91360014 0.91797258 -2.44012148 0.88020241 -1.63797016 1.02283411 0.4682446 3.02548911 -0.06317437 3.43149158 0.07800502 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51-52-5 657298 144210600 A A 6-Propyl-2-thiouracil S=C1NC(CCC)=CC(=O)N1 Tox21_300280 -NCGC00254829-01 196715160 tox21-ror-cho-viability-p1 set2 4 -11.64117135 -5.16676751 -3.17090271 -7.73532552 -3.43399027 -6.37586899 -13.11748595 -7.22922754 -2.89176004 -0.89065179 -6.57364529 -1.59395487 -3.07253862 -12.97047582 -22.87191623 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-25-8 6912870 144211244 A A Oleyl sarcosine O=C(CCCCCCC/C=C\CCCCCCCC)N(C)CC(=O)O Tox21_300927 -NCGC00255033-01 196715173 tox21-ror-cho-viability-p1 set2 4 0.15751463 2.45220052 1.2327258 1.42849904 1.20415037 2.26681944 2.38958309 0.24350769 3.0843376 1.04241112 1.49226766 5.0853931 2.00459799 -0.70607577 3.08499813 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004107 0.00009184 16672-87-0 27982 144211451 A Ac Ethephon ClCCP(=O)(O)O Tox21_301134 -NCGC00254214-01 196715175 tox21-ror-cho-viability-p1 set2 4 -2.08752231 0.97952323 -1.92267663 0.44139383 -0.15607216 0.98367532 0.87290545 1.27572987 -0.83582737 1.76269467 1.24468828 -1.98228952 -2.98176141 2.42697388 0.30164485 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-80-7 7261 144210463 A A 2,4-Diaminotoluene Nc1cc(N)c(C)cc1 Tox21_300143 -NCGC00255001-01 196715176 tox21-ror-cho-viability-p1 set2 4 -1.46197037 -0.2798614 -3.27088384 0.27391607 0.61661944 -0.60275014 -0.05357938 3.48762587 2.33215815 -1.53629354 2.5571618 -0.4488497 2.44866178 4.65914655 -10.13979386 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50471-44-8 39676 144211418 A Ac Vinclozolin O=C1N(C(=O)OC1(C)C=C)c2cc(Cl)cc(Cl)c2 Tox21_301101 -NCGC00254524-01 196715177 tox21-ror-cho-viability-p1 set2 -1.1 9.6885416101 -96.3192892607 -1.063709546 -97.3829988067 1.8616924601 0.992366102 2E-10 3.41834659 -0.02658766 0.42411424 -0.6639836 -0.57102518 0.06422608 -1.09706326 -3.21405661 -1.67523167 -7.57233862 -19.63332405 -37.46621407 -81.342542 -91.25853554 -92.21874887 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 548-62-9 11057 144210888 A A Gentian Violet [Cl-].C/[N+](C)=C1\C=C\C(C=C1)=C(/c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C Tox21_300571 -NCGC00254737-01 196715178 tox21-ror-cho-viability-p1 set2 4 0.9060089 0.52333483 2.97037355 0.27666247 -0.28699454 3.8919197 0.47843433 0.58852076 0.96408961 3.19424625 2.12541007 2.88954737 6.47213113 2.49320907 2.71353339 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 42509-80-8 39223 144211150 A A Isazofos CC(C)n1nc(OP(=S)(OCC)OCC)nc1Cl Tox21_300833 -NCGC00258144-01 196715578 tox21-ror-cho-viability-p1 set2 -2.4 21.9107051025 -26.243393036 -1 -27.243393036 2.1210667061 0.960277018 0.0000023671 -1.45520028 0.2915416 0.35042891 -0.61575242 -0.29958178 0.51563362 -3.52250386 0.07417487 0.22590096 -3.27101025 -1.99675886 -6.30544907 -9.06758615 -24.20417154 -25.20282753 1.19E-9 2.661E-9 5.95E-9 1.331E-8 2.975E-8 6.653E-8 1.4879999999E-7 3.326E-7 7.438E-7 0.000001663 0.000003719 0.000008316 0.00001859 0.00004158 0.00009297 433337-23-6 12040509 144207788 A A 1-Decyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C[n+]1ccn(CCCCCCCCCC)c1 Tox21_200590 -NCGC00249929-01 196726209 tox21-ror-cho-viability-p1 set3 4 6.6824247267 17.320508796 -7.820508796 9.5 4.9549173134 0.5017088585 0.193371842 8.53349801 0 -10.18694866 -10.31969095 -10.34631178 -7.86544676 -11.27389922 -6.73103638 -10.67993687 -11.72742939 -8.23998753 -11.93375733 9.00503353 8.12963591 -11.18376917 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 130726-68-0 5282433 170466035 I A Neticonazole CS\C=C(/c1ccccc1OCCCCC)n2ccnc2 Tox21_113705 -NCGC00091080-03 196728918 tox21-ror-cho-viability-p1 set3 4 0 2.12455884 -1.97802502 2.56533489 -1.48071525 -0.33631073 -0.10550266 -0.30977491 1.49119147 0.48952217 1.99505005 -1.71072307 -3.02420305 8.18547318 1.82796718 1.121E-9 2.506E-9 5.6039999999E-9 1.2529999999E-8 2.802E-8 6.265E-8 1.401E-7 3.133E-7 7.005E-7 0.000001566 0.0000035019999999 0.000007831 0.00001751 0.00003916 0.00008756 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00256801-01 196726635 tox21-ror-cho-viability-p1 set3 4 0.0000014257 28.9653901 11.61209268 0.98628821 0.481201 1.06612399 1.45969849 -0.81663599 -0.15471126 -1.36748499 2.69870046 0.53262819 2.25939081 3.23763263 3.47611415 0.46731388 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-72-5 31226 144212904 A A 3-Phenylpropyl acetate CC(=O)OCCCc1ccccc1 Tox21_302587 -NCGC00264046-02 196726207 tox21-ror-cho-viability-p1 set3 4 0.16812168 -11.00664225 0.59382699 1.28616402 -0.75121996 -0.6661598 -0.51967544 0.96361011 -2.99653034 -5.72391179 0.87460678 -1.13138868 -3.82066525 1.56931018 -3.23257051 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 70-18-8 124886 170465600 Z Glutathione O=C(NCC(=O)O)[C@@H](NC(=O)CC[C@H](N)C(=O)O)CS Tox21_111371_1 -NCGC00256695-01 196726634 tox21-ror-cho-viability-p1 set3 4 -4.81501929 -5.48533741 -5.57478104 -1.13006951 -0.27733489 -6.32021726 -14.4018625 -21.29991618 0 0 0 2.87082957 -6.73017409 -4.04575056 -2.59409231 9.0839999999E-10 2.0309999999E-9 4.5419999999E-9 1.016E-8 2.271E-8 5.0779999999E-8 1.136E-7 2.539E-7 5.678E-7 0.00000127 0.000002839 0.0000063479999999 0.00001419 0.00003174 0.000070969999999 28069-74-1 5366352 144213009 F Fns Acetaldehyde ethyl cis-3-hexenyl acetal CCOC(C)OCC\C=C/CC Tox21_302692 -NCGC00256921-01 196726640 tox21-ror-cho-viability-p1 set3 4 0.0038570779 -15.717996496 16 0.282003504 2.3331733767 0.8106628595 0.0063567235 14.65345519 13.67017242 1.97363263 2.66023717 0.94139871 3.45958225 2.46434232 -3.42585984 0 1.97558196 -4.76499708 1.05316859 1.35176229 -0.58761036 0.00009051 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 13679-70-4 61663 144212953 A F 5-Methyl-2-thiophenecarboxaldehyde Cc1ccc(C=O)s1 Tox21_302636 -NCGC00256482-01 196726642 tox21-ror-cho-viability-p1 set3 4 -0.33505405 -5.46107537 -5.82548724 -6.52168014 -0.91143376 -5.21788311 1.21026175 0.90065467 -0.68579669 2.93330705 1.44983018 1.1760291 2.05522693 -0.21432714 -0.70360179 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-50-3 7814 144213260 A D 1,4-Benzenediamine Nc1ccc(N)cc1 Tox21_302943 -NCGC00257027-01 196726643 tox21-ror-cho-viability-p1 set3 4 4.38750623 5.58132112 3.67357719 1.06254263 1.21354446 5.21518317 7.04125092 7.31282371 4.87482313 6.85018824 4.82849008 6.08155301 6.06868981 4.05793155 5.28227638 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.265E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.00009125 934-32-7 13624 144213437 A A 2-Aminobenzimidazole Nc1nc2ccccc2n1 Tox21_303120 -NCGC00256765-01 196727043 tox21-ror-cho-viability-p1 set3 4 -0.34113683 0.00288109 2.51237522 1.34819714 2.69838837 2.43464729 -0.75494073 0.16290012 -0.82969745 0.860916 1.97690182 2.52717008 -0.09892136 -1.12843884 2.40082996 8.115E-10 1.8149999999E-9 4.0569999999E-9 9.073E-9 2.029E-8 4.536E-8 1.014E-7 2.268E-7 5.072E-7 0.0000011339999999 0.000002536 0.00000567 0.000012679999999 0.00002835 0.0000634 9016-87-9 7570 144212902 F Fns Polymethylene polyphenyl isocynate O=C=N/c1ccc(cc1)Cc2ccc(/N=C=O)cc2 Tox21_302585 -NCGC00256627-01 196727047 tox21-ror-cho-viability-p1 set3 4 -5.19889151 -5.08196016 -5.25505526 -6.07053417 -3.74575555 -1.1615284 -23.16330193 -27.20331809 0 0 0 -7.02519844 0.07344336 0.55007702 -2.3912767 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-86-7 7531 144212850 A A 2-Methyl-1-phenylpropan-2-ol OC(C)(C)Cc1ccccc1 Tox21_302533 -NCGC00256745-01 196727049 tox21-ror-cho-viability-p1 set3 4 -1.8140168 1.04657589 0.68657478 0.93703114 1.19628851 -0.03847756 1.29484766 0.34394246 1.65395707 2.33368 0.85696533 -0.50843925 1.67238917 2.57142385 1.56015997 5.073E-10 1.134E-9 2.536E-9 5.6719999999E-9 1.268E-8 2.8359999999E-8 6.341E-8 1.418E-7 3.17E-7 7.0889999999E-7 0.0000015849999999 0.000003545 0.000007926 0.00001772 0.00003963 2043-55-2 74887 144212901 1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodohexane FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)F Tox21_302584 -NCGC00256556-01 196727051 tox21-ror-cho-viability-p1 set3 4 1.6890046 -0.0828226 -2.42536698 0.22365766 -0.13513464 -0.91281164 0.49839035 -0.27982864 0.35975478 0.47615621 -2.18729927 1.02865484 -1.82900273 0.68641875 2.23951689 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 689-67-8 19633 144213250 F F 6,10-Dimethyl-5,9-undecadiene-2-one C/C(C)=C\CCC(C)=CCCC(C)=O Tox21_302933 -NCGC00256754-01 196727061 tox21-ror-cho-viability-p1 set3 4 -2.5823293 -3.29581243 -1.72024767 -1.66902858 -1.82994446 0.8410247 -1.58493349 0.08516004 4.32872561 1.51645218 4.24940522 -4.32421598 2.24359864 -2.39690869 -2.20085374 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 35854-86-5 5362792 144213929 A A (6Z)-Non-6-en-1-ol CC\C=C/CCCCCO Tox21_303624 -NCGC00257141-01 196727455 tox21-ror-cho-viability-p1 set3 4 0.0401845211 3.0258715239 -2.0258715239 1 3.0654483358 0.334888831 0.3404062871 0.99946741 -1.36317808 -7.93822627 -0.22716076 -1.30989918 0.24511857 2.32527271 0.48280861 -0.09877936 2.23923528 2.69216431 -0.88375626 1.57562069 0.61708931 0.20101481 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 97-65-4 811 144213388 Ac A Methylenebutanedioic acid O=C(O)C(=C)CC(=O)O Tox21_303071 -NCGC00257272-01 196719037 tox21-ror-cho-viability-p1 set2 4 -7.16597477 2.33938792 -0.35179695 -4.34861165 0.55283935 -1.19683945 0.53231609 -0.26180481 2.42415245 -2.56220185 2.16155679 -7.09633576 -2.20258992 3.49752624 -6.66914069 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 115-99-1 61040 144213681 Ac F Linalyl formate O=COC(C)(CC\C=C(\C)C)C=C Tox21_303366 -NCGC00256554-01 196719029 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -15.8181716999 2 -13.8181716999 4.5044702849 0.6195965667 0.0840466845 1.21571352 -0.92423312 -0.02094163 5.12697292 -0.39286776 4.9007149 0.25009338 7.24687109 0.3516548 -0.09620311 4.9422353 0.5980588 0.07875503 0.65226142 -10.68180975 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 318-98-9 62882 144213222 A A Propranolol hydrochloride Cl.CC(C)NCC(O)COc2cccc1ccccc12 Tox21_302905 -NCGC00257350-01 196719050 tox21-ror-cho-viability-p1 set2 4 21.6899429044 11.142863696 -3.142863696 8 1.6435888099 0.325619767 0.3601047951 -0.1471346 1.27823105 0.31843083 0.87374673 -8.71670587 -6.86412402 -8.86905308 -5.92498398 -1.18655886 -1.44586253 -1.26934067 -1.38986303 0.90188324 5.26829455 0.66541171 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13755-29-8 4343483 144213760 Z Z Sodium tetrafluoroborate [Na+].F[B-](F)(F)F Tox21_303450 -NCGC00257347-01 196719483 tox21-ror-cho-viability-p1 set2 4 0.34492081 0.53451923 2.82609472 0.37901935 -3.19555632 -9.7528301 0.5405281 -2.76155133 4.75096858 1.05310398 0.51452061 -4.28016807 0.21736856 -0.16787142 2.99438201 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-12-8 6054 144213695 A A 2-Phenylethanol OCCc1ccccc1 Tox21_303383 -NCGC00256853-01 196719484 tox21-ror-cho-viability-p1 set2 4 1.40329192 0.88872169 1.37831945 1.83168897 4.36183553 10.45462221 2.40626926 5.87647399 1.66047363 0.23215003 5.73249595 0.23151186 0.85642334 1.44727699 2.12115209 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 61295-41-8 43598 144212819 A B 3-(2-Methyl-3-furylthio)-4-heptanone CCC(Sc1ccoc1C)C(=O)CCC Tox21_302502 -NCGC00255074-01 196719489 tox21-ror-cho-viability-p1 set3 -2.4 61.0684034629 -39.426115184 4.5 -34.926115184 3.6272481694 0.827589756 0.0042076294 6.34073561 -2.68268509 5.65702043 0.82680332 9.34402386 8.9021485 8.32592998 -0.26234993 4.403502 7.56234154 -1.16893927 3.72249289 7.28098625 -3.55556986 -27.43842932 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 3766-60-7 19587 144211493 A A Buturon Clc1ccc(NC(=O)N(C)C(C)C#C)cc1 Tox21_301176 -NCGC00255042-01 196719887 tox21-ror-cho-viability-p1 set3 -2.1 30.8248964822 -92.5323400588 4.2081658252 -88.3241742336 1.692447691 0.8835160546 0.0006816742 8.37943602 1.25216446 -6.38184323 7.2832063 -1.48433996 12.78170301 2.19925919 7.38440168 13.19979747 -6.85512009 8.05405097 -2.2991973 -37.643848 -36.23922576 -92.00434816 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 131807-57-3 213032 144211461 A A Famoxadone CC2(OC(=O)N(Nc1ccccc1)C2=O)c4ccc(Oc3ccccc3)cc4 Tox21_301144 -NCGC00163903-03 196719895 tox21-ror-cho-viability-p1 set3 4 0.0091555738 18.2476866961 -18.42715908 -0.1794723839 0.4 0.7063530809 0.0440244097 -10.10847406 -17.8559659 -6.91410084 -5.60567652 -8.41483929 -9.09384509 -2.72957828 -3.79693275 -2.20780113 -1.38187985 -3.26277993 -0.23672582 -2.51383276 -0.14956032 -8.90241001 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00254465-01 196719907 tox21-ror-cho-viability-p1 set3 4 10.98235939 -0.08630523 8.94123898 -3.8004474 -3.11488227 0.27459372 -4.24571952 11.26901536 2.85353758 -5.27261271 -1.3113897 8.86496769 10.31915973 7.28129517 2.18813129 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 82469-79-2 133914 144210839 A A Butyryl trihexyl citrate O=C(OCCCCCC)C(CC(=O)OCCCCCC)(CC(=O)OCCCCCC)OC(=O)CCC Tox21_300521 -NCGC00255018-01 196720321 tox21-ror-cho-viability-p1 set3 4 6.55733106 5.11677434 4.37002156 10.99993038 8.49630264 7.39645224 5.6247656 9.83537447 0.09921162 14.55963224 6.98288656 0.61556869 3.1200057 5.88463999 8.00990495 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 16752-77-5 4109 144211435 A A Methomyl C\C(=N\OC(=O)NC)SC Tox21_301118 -NCGC00090885-03 196716569 tox21-ror-cho-viability-p1 set2 4 1.23453183 -2.96106747 -0.06073109 0.97108809 -1.40409699 -1.87354867 -0.77163079 -3.14341021 -1.31596708 -5.76660411 -3.2114231 -1.59353843 1.85833595 0.91214039 -1.60297587 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00258727-01 196715750 tox21-ror-cho-viability-p1 set2 4 50.1421721743 -19.280703668 1.5 -17.780703668 2.4729283767 0.9355534714 0.000033684 0.86932839 3.76826053 2.167092 -0.06652215 3.53566845 1.97091493 3.42023304 1.40609435 0.37467565 1.4614791 0.86944624 0.21735731 0.13494713 -6.16647083 -14.40058639 1.212E-9 2.71E-9 6.061E-9 1.3549999999E-8 3.03E-8 6.7759999999E-8 1.515E-7 3.388E-7 7.576E-7 0.0000016939999999 0.0000037879999999 0.00000847 0.00001894 0.00004235 0.0000947 110-89-4 8082 144208373 FNS Piperidine C1CCCCN1 Tox21_201175 -NCGC00258191-01 196716149 tox21-ror-cho-viability-p1 set2 4 -0.46557632 -1.37420255 -1.30757583 -3.99222562 1.53234095 -1.90760776 -1.56100976 -1.45894063 -3.22831858 0.78567272 -2.65975051 -0.84278446 1.20384842 0.19495445 0.41211629 1.167E-9 2.61E-9 5.837E-9 1.305E-8 2.918E-8 6.5259999999E-8 1.459E-7 3.2629999999E-7 7.296E-7 0.000001631 0.000003648 0.000008157 0.000018239999999 0.000040789999999 0.0000912 393-52-2 9808 144207835 D 2-Fluorobenzoyl chloride O=C(Cl)c1ccccc1F Tox21_200637 -NCGC00258473-01 196716339 tox21-ror-cho-viability-p1 set2 4 -1.89271344 -0.45933577 -4.13899148 -0.63409826 -0.4500905 -1.17519038 0.60644898 1.38426997 -2.52776215 1.12879859 -1.794733 -2.93121701 0.76026876 0.88596478 1.70973119 1.206E-9 2.697E-9 6.032E-9 1.349E-8 3.016E-8 6.744E-8 1.5079999999E-7 3.372E-7 7.54E-7 0.0000016859999999 0.00000377 0.000008429 0.00001885 0.000042149999999 0.000094239999999 617-84-5 12051 144208117 A A Diethylformamide CCN(CC)C=O Tox21_200919 -NCGC00253597-01 196716745 tox21-ror-cho-viability-p1 set2 -2.1 11.8832183006 -79.1887911269 3.4742492429 -75.714541884 0.8999999999 0.9785893198 7.04E-8 3.11149321 2.05659012 1.19461774 3.75074079 1.72942415 7.41956357 5.2165808 6.32948469 -3.97120742 -5.71508047 -10.49290506 -19.98015075 -28.84085744 -42.96547219 -63.09545157 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68238-36-8 50108 170464639 A F Isosulfan blue [Na+].CC/[N+](CC)=C1\C=C/C(C=C1)=C(/c2ccc(cc2)N(CC)CC)c3cc(ccc3S([O-])(=O)=O)S([O-])(=O)=O Tox21_113733 -NCGC00258225-01 196716326 tox21-ror-cho-viability-p1 set2 -2.2 68.241009061 -59.317743917 -3.489681709 -62.807425626 3.1319983358 0.8818364279 0.0007319964 0.20334888 -0.39449603 -4.83021472 -3.93233236 -2.65916913 -0.37128825 -4.55428356 2.31543404 0.58026465 -3.72093843 -13.29299198 -2.45349081 -12.20402858 -12.49595364 -47.58138305 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003673 0.0000082119999999 0.000018359999999 0.00004106 0.000091819999999 4252-78-2 20250 144207869 D 2,2',4'-Trichloroacetophenone O=C(CCl)c1ccc(Cl)cc1Cl Tox21_200671 -NCGC00258230-01 196716332 tox21-ror-cho-viability-p1 set2 4 69.2178691585 -12.917525048 0 -12.917525048 2.9522712143 0.676601023 0.0506024817 -2.13196518 -0.77268195 1.78244837 -2.25705264 1.11804574 -0.66031292 1.9794665 0.99860923 -2.61796209 1.35184498 0.50275801 2.17786638 -2.22593573 -1.95203046 -9.09793754 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.9719999999E-8 6.6449999999E-8 1.486E-7 3.3219999999E-7 7.429E-7 0.0000016609999999 0.000003714 0.0000083059999999 0.00001857 0.00004153 0.00009286 319-84-6 727 144207874 A A alpha-1,2,3,4,5,6-Hexachlorocyclohexane Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@H]1Cl Tox21_200676 -NCGC00024246-15 196716748 tox21-ror-cho-viability-p1 set2 -1.1 13.3331902297 -81.2903138659 4.2864843355 -77.0038295304 3.5117481694 0.9821941949 2.42E-8 1.2903333 3.18316846 0.6722822 3.87683074 4.77735603 7.06630781 7.7659713 5.60713728 3.08738718 8.77636277 4.20078761 -1.01902217 -8.10701595 -71.26494717 -75.49395052 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 20830-81-3 30323 170465048 A Daunorubicin CC(=O)[C@@]4(O)C[C@H](O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1)c5c(O)c3C(=O)c2c(OC)cccc2C(=O)c3c(O)c5C4 Tox21_110896_1 -NCGC00091330-07 196716753 tox21-ror-cho-viability-p1 set2 4 -0.47904607 0.17346141 0.83843592 1.81274765 4.58893409 4.21159876 4.80980033 3.23561218 5.26720267 2.09268772 5.45977938 3.21042211 0.07855494 0.01805286 0.50035737 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1143-38-0 2202 170466655 F Anthralin Oc2cccc1Cc3cccc(O)c3C(=O)c12 Tox21_111115_1 -NCGC00165767-04 196716763 tox21-ror-cho-viability-p1 set2 4 29.8492948118 -11.39271206 -1 -12.39271206 1.826479391 0.5365608003 0.149231788 -0.66016989 -0.33720737 -5.85103526 -3.67845524 -3.09261523 1.07612825 0.0669762 1.53905849 1.53657715 0.18248709 -2.12951645 -2.14350477 -1.97120375 -4.46947994 -9.07726005 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2624-43-3 2898 170465970 A Cyclofenil CC(=O)Oc1ccc(cc1)C(/c2ccc(OC(C)=O)cc2)=C3/CCCCC3 Tox21_112259_1 -NCGC00253710-01 196717584 tox21-ror-cho-viability-p1 set2 4 29.8492948118 -15.73880732 1.5 -14.23880732 4.9549173134 0.7700017876 0.0142527293 1.71119498 2.00670117 -0.88130056 -0.19463719 3.18407106 2.37871481 4.63061456 3.07329816 -0.75620091 -2.24931016 0.69205989 -0.78355968 3.55296535 -0.47864267 -12.6990061 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 39219-28-8 71717 170466315 F A Promestriene CCCOc3cc4CC[C@@H]1[C@H](CC[C@]2(C)C(CC[C@@H]12)OC)c4cc3 Tox21_113830 -NCGC00162179-08 196717997 tox21-ror-cho-viability-p1 set2 -3 33.4914596268 -82.1413683623 -1.991980896 -84.1333492583 4.9549173134 0.975165219 1.652E-7 1.1186254 -3.33737702 -3.82642518 -3.23236559 0.03182019 -5.31280334 -3.28638629 -2.14712553 -6.05747299 -2.79554016 -2.53397927 -1.41302802 -1.3251999 -1.46284428 -73.80118356 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53772-82-0 5281881 170465964 A cis-Flupentixol FC(F)(F)c2cc3C(=C\CCN1CCN(CCO)CC1)/c4ccccc4Sc3cc2 Tox21_112003_1 -NCGC00253600-01 196718001 tox21-ror-cho-viability-p1 set2 4 0.6682424727 -3.692253752 2.5 -1.192253752 2.7202212143 0.4224372772 0.2540921818 0.93394314 -0.20344632 0.53811303 2.76741619 3.82507803 1.18481011 6.23726124 7.07301335 1.70858492 -0.52242355 0.52772325 -3.91021146 -0.242315 0.60836812 -2.79645025 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1225-20-3 23667529 170465058 F A Iothalamate sodium [Na+].O=C(C)Nc1c(I)c(c(I)c(c1I)C([O-])=O)C(=O)NC Tox21_113735 -NCGC00016668-06 196718014 tox21-ror-cho-viability-p1 set2 4 -1.07266681 0.62655739 0.97637444 0.86167261 2.29914594 2.29442079 2.28405689 2.23873012 1.8913942 1.6956474 0.01857709 -1.7679016 2.91655024 3.38129075 0.07626244 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6064-83-1 3418 170466091 Cc Salicylic acid dihydrogen phosphate OP(=O)(O)Oc1ccccc1C(=O)O Tox21_110554_1 -NCGC00257324-01 196718408 tox21-ror-cho-viability-p1 set2 4 -3.29327415 0.77135683 -0.86028218 -2.55704272 -7.08425223 -7.29265989 -0.02376716 -4.22614555 -1.11428936 -2.17723736 1.20206639 -1.47181498 -0.265255 -0.51847815 -1.96924696 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24851-98-7 102861 144213893 A A Methyl dihydrojasmonate COC(=O)CC1CCC(=O)C1CCCCC Tox21_303588 -NCGC00256760-01 196727103 tox21-ror-cho-viability-p1 set3 4 -0.29128718 0.76101843 2.2985161 0.97215308 -1.29498018 -0.45100538 -0.9037758 0.92100216 1.06370267 0.48905667 0.68224528 1.98787976 -1.38912046 2.72375414 1.9220684 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2439-54-5 75538 144212828 A Fns N-Methyloctan-1-amine CNCCCCCCCC Tox21_302511 -NCGC00256651-01 196727108 tox21-ror-cho-viability-p1 set3 4 0.0090946323 -5.3233572559 4 -1.3233572559 2.7202212143 0.4654895676 0.2132150054 -0.15194693 6.39443873 5.77946961 -1.10949055 -0.48389886 0.0300589 -1.69677521 -3.42264417 -5.26946438 0 0 0.48397951 -0.66036713 -0.07562317 -0.94930875 1.017E-9 2.273E-9 5.083E-9 1.1369999999E-8 2.5409999999E-8 5.6829999999E-8 1.271E-7 2.841E-7 6.354E-7 0.000001421 0.000003177 0.000007104 0.00001588 0.00003552 0.00007942 1069-66-5 16760703 144212940 A Sodium valproate [Na+].[O-]C(=O)C(CCC)CCC Tox21_302623 -NCGC00257311-01 196726686 tox21-ror-cho-viability-p1 set3 4 -2.04559383 0.26574912 -1.76478773 -0.35147252 -0.17808067 -1.13753634 0 -1.51412112 0 0 0 -0.76648046 -1.93208709 0.06354142 -1.16685217 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-05-8 22697 144213693 A A Ethyl 4-chlorophenyl ketone O=C(CC)c1ccc(Cl)cc1 Tox21_303381 -NCGC00256430-01 196727094 tox21-ror-cho-viability-p1 set3 4 -2.25765497 0.18339985 -2.65748602 2.18254551 0.4030615 -1.26166999 -0.15904967 0.14432218 3.3928591 2.02629786 2.10907517 -0.30594225 0.53101129 -0.46740737 0.2909832 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 614-00-6 11957 144213064 A Fc Nitrosomethylaniline O=NN(C)c1ccccc1 Tox21_302747 -NCGC00256885-01 196727512 tox21-ror-cho-viability-p1 set3 -2.2 20.8118617509 -36.522632228 -1.5 -38.022632228 2.3331733767 0.8113439193 0.0062089784 0.49326578 0.69799584 1.0606098 -10.2813794 -9.29276639 -2.44487087 0.03910773 1.84984265 -1.50493229 -1.65523848 -2.65858164 2.51666619 -0.05601105 -27.55835111 -31.26886019 6.411E-10 1.4339999999E-9 3.205E-9 7.1679999999E-9 1.603E-8 3.5839999999E-8 8.014E-8 1.792E-7 4.007E-7 8.959E-7 0.000002003 0.00000448 0.000010019999999 0.0000224 0.000050079999999 123333-56-2 3078952 144213017 F F 2,4-Diaminoanisole sulfate hydrate O.Nc1cc(N)ccc1OC.O=S(=O)(O)O Tox21_302700 -NCGC00256762-01 196727515 tox21-ror-cho-viability-p1 set3 4 -1.05392725 1.48987362 1.52440162 0.08244466 2.13740353 0.31719716 -0.13358459 0.99426526 2.45366716 1.22461478 3.35197641 1.03075541 1.84473291 0.87619062 2.12224311 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-92-4 8863 144212857 C C Hydroxycitronellal dimethyl acetal COC(CC(C)CCCC(C)(C)O)OC Tox21_302540 -NCGC00255395-01 196728343 tox21-ror-cho-viability-p1 set3 4 27.3060203028 24.5118087561 1.4881912439 26 1.0999999999 0.4682981089 0.22414198 2.31672277 1.1416778 6.64552081 -1.63746252 6.66475826 -7.50984063 1.85536461 -3.28347857 5.96965652 7.66034038 -4.61005052 12.5752895 6.80200949 19.19669856 -6.72431207 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1746-23-2 15627 144211990 A Ac 4-tert-Butylstyrene CC(C)(C)c1ccc(C=C)cc1 Tox21_301673 -NCGC00255235-01 196728346 tox21-ror-cho-viability-p1 set3 4 0.45553504 -2.2114084 -2.35218015 3.35243511 -0.33232684 -1.41406401 -0.04865872 4.4798217 2.6689658 -0.09588421 1.65942721 1.19123795 -2.60065287 2.87939597 4.10476831 8.6709999999E-10 1.939E-9 4.335E-9 9.6939999999E-9 2.168E-8 4.8469999999E-8 1.0839999999E-7 2.424E-7 5.419E-7 0.000001212 0.00000271 0.000006059 0.00001355 0.000030299999999 0.00006774 26040-51-7 117291 144212721 A Ac Bis(2-ethylhexyl) tetrabromophthalate Brc1c(c(c(Br)c(Br)c1Br)C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC Tox21_302404 -NCGC00255340-01 196728361 tox21-ror-cho-viability-p1 set3 4 61.130564862 -33.6451182399 0.5 -33.1451182399 4.5044702849 0.6628150866 0.0566675781 0.31946455 10.66209135 6.6973644 2.19535376 -7.10716974 -0.43679363 -5.70856574 1.78181782 -6.00781716 -0.16304132 -1.22261148 10.27023245 -3.75524168 -3.90618866 -28.4542652 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13684-56-5 24743 144212171 F D Desmedipham O=C(Oc1cccc(c1)NC(=O)OCC)Nc2ccccc2 Tox21_301854 -NCGC00256121-01 196728773 tox21-ror-cho-viability-p1 set3 4 1.13949187 -1.16160639 -1.82286818 -5.08546025 -1.77394375 -1.52144911 -2.33533615 -1.2503145 -2.15772335 -3.34271087 -0.7753917 -7.90426183 -1.18489633 -1.07341474 1.08110866 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-40-4 67065 144212119 A Cc 4-Hydroxy-7-(phenylamino)naphthalene-2-sulfonic acid O=S(=O)(O)c1cc(O)c2ccc(cc2c1)Nc3ccccc3 Tox21_301802 -NCGC00255940-01 196729173 tox21-ror-cho-viability-p1 set3 4 2.0305339 0.66103253 3.52871261 9.03285458 1.06272925 -2.55830875 1.49862 17.1301781 4.00004165 2.4916094 24.58000815 0.893859 4.83216361 3.97572997 6.41895927 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-69-7 6943 144212379 A A 2-Isopropylphenol CC(C)c1ccccc1O Tox21_302062 -NCGC00256203-01 196729174 tox21-ror-cho-viability-p1 set3 4 1.17974602 -2.66993448 -1.06896058 -0.96177915 6.72695764 -0.39779777 7.22009129 -0.46650217 -1.25299737 3.44352146 4.2569069 1.26790876 -0.8544082 4.5417363 1.51031491 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 470-99-5 79016 144212661 C F 3,5,5-Trimethyl-2-cyclohexen-1-ol CC1(C)CC(C)=CC(O)C1 Tox21_302344 -NCGC00255167-01 196729182 tox21-ror-cho-viability-p1 set3 -2.4 6.8589621897 -22.8420668799 2.5 -20.3420668799 2.2481167061 0.826803503 0.0042898312 -7.8822816 3.98054699 6.60870162 3.73161036 -0.34879599 3.08334406 6.5133124 3.45966302 4.17386311 -0.36154673 -1.56498392 -11.30504577 -16.75010081 -26.9517224 -14.58253578 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 485-72-3 5280378 144212165 A A Formononetin COc1ccc(cc1)C3=COc2cc(O)ccc2C3=O Tox21_301848 -NCGC00163735-04 196721970 tox21-ror-cho-viability-p1 set3 4 0.0408964459 -6.0611488 3.5 -2.5611488 4.9549173134 0.5174533194 0.164092352 5.06535525 5.06369774 -0.20281746 4.92110872 2.49036299 -3.31749761 -3.36205802 -5.03450012 0.36489677 2.07502485 -0.28308345 -4.31263213 -9.217624 -3.58540492 -0.14360711 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00091010-03 196722357 tox21-ror-cho-viability-p1 set3 4 1.48450806 -1.2985784 -12.84229995 -4.85249014 -18.75012586 0 -3.19301396 -3.00756124 -2.38105289 4.09077597 3.96742008 3.32565277 -3.1210419 -5.31012705 -4.53314141 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 538-71-6 10866 170465494 A Domiphen bromide [Br-].CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 Tox21_111054_1 -NCGC00259454-01 196721571 tox21-ror-cho-viability-p1 set3 4 22.1318386463 13.021380684 -8.021380684 5 4.9549173134 0.6307449072 0.0761827194 -6.98078709 -6.77926484 -7.77635293 -2.47711203 -5.0266038 -12.38815885 -15.85115057 -6.32541675 -13.27307132 -5.71852742 -6.1243678 -8.52953835 -3.58016393 5.94077104 3.40965282 1.1999999999E-9 2.6819999999E-9 5.9979999999E-9 1.3409999999E-8 2.999E-8 6.7059999999E-8 1.5E-7 3.353E-7 7.498E-7 0.000001676 0.000003749 0.0000083819999999 0.000018739999999 0.00004191 0.000093719999999 5329-14-6 5987 144209103 A A Sulfamic acid NS(=O)(=O)O Tox21_201905 -NCGC00259525-01 196721966 tox21-ror-cho-viability-p1 set3 4 -1.21874654 -0.91537688 1.21897014 10.27117119 -4.90280708 -3.57362085 -2.99419151 -3.56846009 -4.07587221 -1.89137267 -2.3008522 -0.03052157 0.44660177 8.06680732 3.36539516 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.552E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.0000036629999999 0.00000819 0.00001831 0.00004095 0.000091569999999 1809-19-4 6327349 144209174 I F Dibutyl phosphite CCCCOP(=O)OCCCC Tox21_201976 -NCGC00159418-05 196722358 tox21-ror-cho-viability-p1 set3 4 0.0298492948 16.0893383879 -20.0893383879 -4 4.9549173134 0.5232764437 0.157605356 -14.5011798 -0.61260385 -28.99913827 -24.49272968 -32.15778199 -9.14063604 -3.81034345 -2.14108019 -2.29172297 0.2932167 -4.03471178 -0.29653968 -5.83309361 -8.83638938 -8.80170983 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 37076-68-9 5386 170465809 A Tegafur FC1=CN(C(=O)NC1=O)C2CCCO2 Tox21_111649_1 -NCGC00016611-10 196722365 tox21-ror-cho-viability-p1 set3 4 33.4914596268 15.9858901399 -4.9858901399 11 4.9549173134 0.6768137825 0.0496889823 -2.75131353 -6.73491118 -3.01579594 -3.89802753 -2.25689617 -5.1653838 -6.56747676 -7.31014301 0.5313245 -3.47314251 -5.87401811 -7.24797219 -7.90490845 -6.47178216 9.11761466 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2438-72-4 2466 170465813 A Bufexamac ONC(=O)Cc1ccc(OCCCC)cc1 Tox21_110522_1 -NCGC00015238-13 196722368 tox21-ror-cho-viability-p1 set3 1.2 4.7307944147 41.8725495359 -13.8725495359 28 0.6 0.7779112145 0.0122041906 -12.79572548 -17.39379128 -12.13793384 -14.03495125 -15.08836282 -14.91256453 -10.19370731 3.10401907 -0.31756348 -4.10367028 -5.05731194 -7.66923664 20.68198595 19.36517913 19.59982468 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 95-25-0 2733 170464957 A Chlorzoxazone Clc1cc2NC(=O)Oc2cc1 Tox21_110105_1 -NCGC00160537-04 196722376 tox21-ror-cho-viability-p1 set3 4 0.6113056486 -11.460904348 2 -9.460904348 1.92824246 0.6761177622 0.0599403539 0.51152749 -3.2425152 6.30270657 -2.35786372 4.89614991 7.8587783 -3.51030551 0.86221986 -5.44538799 -6.5038044 -11.21742029 -9.95829572 -10.80994151 -5.67773026 -1.14477901 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00253636-01 196722777 tox21-ror-cho-viability-p1 set3 2.4 37.5780357627 32.5 3.5 36 0.8999999999 0.7252150359 0.0278344941 4.26260959 2.39863705 4.89300248 4.26849133 3.86214696 2.63069732 1.23717487 1.89480228 6.37893426 5.76422504 13.94077666 3.18255846 5.37831889 13.48701519 26.82801949 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54396-44-0 2735932 170466684 F A 3-(Trifluoromethyl)-o-toluidine Cc1c(cccc1N)C(F)(F)F Tox21_113763 -NCGC00092334-02 196722791 tox21-ror-cho-viability-p1 set3 4 1.56574882 -0.99051851 -1.57177161 0.8882631 0 -6.5199832 -2.25442199 0 1.88523745 0.22608969 1.43510164 -2.08575684 -1.90285556 -2.0162281 0.23606418 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 91940-87-3 3045335 170466631 A Zatebradine hydrochloride Cl.COc1ccc(cc1OC)CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O Tox21_111195_1 -NCGC00164603-04 196723205 tox21-ror-cho-viability-p1 set3 -2.1 23.7101376556 -89.6161230254 -1.655628789 -91.2717518144 1.8616924601 0.9923164747 2E-10 -0.07136338 -2.94535263 -0.24144069 -0.96976368 0.51708197 -0.69790452 -0.51843666 -0.45748875 -2.72039801 -3.44576586 -5.10627421 -7.3498173 -11.60763342 -41.5416709 -71.03920592 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 90729-43-4 3191 170465995 A Ebastine CC(C)(C)c1ccc(cc1)C(=O)CCCN2CCC(CC2)OC(c3ccccc3)c4ccccc4 Tox21_112225_1 -NCGC00163125-06 196723603 tox21-ror-cho-viability-p1 set3 2.2 33.4914596268 37.839308388 2.160691612 40 0.8999999999 0.7311956103 0.0256126581 3.49295731 5.77440387 -0.90659909 -1.53275699 2.37990664 3.11231883 1.22277687 6.0620067 -1.01398834 8.15541808 11.49558708 1.61002962 9.84464537 11.56675584 31.51153256 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 145-13-1 8955 170465558 F Pregnenolone CC(=O)[C@H]4CC[C@@H]3[C@]4(C)CC[C@H]2[C@H]3CC=C1C[C@@H](O)CC[C@@]12C Tox21_112011_1 -NCGC00259994-01 196708941 tox21-ror-cho-viability-p1 set2 4 0.67898455 -2.27829671 -2.83722559 -2.92921225 -1.87165693 -2.55133463 -1.73740597 -7.38112978 -0.99652257 -2.45030256 -0.97384634 -1.08312509 -1.11587955 -0.804423 -3.88931809 1.125E-9 2.516E-9 5.6259999999E-9 1.2579999999E-8 2.8129999999E-8 6.29E-8 1.4069999999E-7 3.1449999999E-7 7.033E-7 0.0000015729999999 0.000003516 0.000007863 0.000017579999999 0.00003931 0.000087909999999 34256-82-1 1988 144209643 A A Acetochlor ClCC(=O)N(COCC)c1c(C)cccc1CC Tox21_202445 -NCGC00259302-01 196708544 tox21-ror-cho-viability-p1 set2 4 30.9496935865 -13.869257996 1 -12.869257996 4.9549173134 0.9186715821 0.0001142295 2.24121832 1.94751683 1.73981461 1.28235454 0.6087312 0.6637738 0.11976638 -0.63120659 4.4356909 -0.68556059 -0.50765556 1.189263 0.56874853 -10.95785212 -12.39104833 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.6509999999E-8 1.487E-7 3.325E-7 7.436E-7 0.000001663 0.000003718 0.000008313 0.00001859 0.00004157 0.000092939999999 510-15-6 10522 144208951 A A Chlorobenzilate OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(=O)OCC Tox21_201753 -NCGC00258960-01 196708957 tox21-ror-cho-viability-p1 set2 4 2.89039268 0.5344369 2.59628063 4.15799755 2.0308854 1.02445623 2.57601798 2.52804707 -0.69700724 0.30972938 1.98753233 2.37070688 3.23894618 -2.02271299 3.58452885 1.1859999999E-9 2.651E-9 5.928E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009262 333-41-5 3017 144208607 B B Diazinon Cc1cc(OP(=S)(OCC)OCC)nc(n1)C(C)C Tox21_201409 -NCGC00259980-01 196708963 tox21-ror-cho-viability-p1 set2 4 4.06076348 -1.00753463 -1.24203856 4.07896796 -1.10995641 0.13812326 2.15239781 -2.01993189 -1.03140001 -0.68184143 -0.61824389 0.5502267 2.0604947 1.262128 2.62653432 1.202E-9 2.688E-9 6.01E-9 1.344E-8 3.005E-8 6.719E-8 1.503E-7 3.36E-7 7.5129999999E-7 0.0000016799999999 0.0000037559999999 0.0000083989999999 0.00001878 0.000042 0.000093909999999 627-03-2 12301 144209629 A A Ethoxyacetic acid O=C(O)COCC Tox21_202431 -NCGC00259074-01 196709375 tox21-ror-cho-viability-p1 set2 4 0.62386605 2.086325 0.29172768 -1.05934446 -1.32073498 3.13428118 -2.81109065 3.2953098 -0.97888584 0.8223169 1.15100304 -0.7776595 -3.28386947 -1.96871766 -3.01267243 1.18E-9 2.6389999999E-9 5.9009999999E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.299E-7 7.376E-7 0.000001649 0.000003688 0.0000082469999999 0.00001844 0.000041229999999 0.0000922 125-31-5 67172 144208722 A Fc p-Xylenol blue Cc1cc(c(C)cc1O)C3(OS(=O)(=O)c2ccccc23)c4cc(C)c(O)cc4C Tox21_201524 -NCGC00259307-01 196709379 tox21-ror-cho-viability-p1 set2 4 -1.12274808 -1.17972458 2.1946029 1.62207744 2.28884416 -0.85918178 2.42914534 0.15617692 1.90634486 -0.06648571 0.9122622 1.07366621 3.29852109 1.94947744 0.60994856 1.1759999999E-9 2.63E-9 5.8799999999E-9 1.315E-8 2.94E-8 6.574E-8 1.4699999999E-7 3.2869999999E-7 7.35E-7 0.0000016439999999 0.0000036749999999 0.000008218 0.000018379999999 0.00004109 0.00009188 112-55-0 8195 144208956 AC F 1-Dodecanethiol CCCCCCCCCCCCS Tox21_201758 -NCGC00259161-01 196709773 tox21-ror-cho-viability-p1 set2 4 0.77426518 -2.56378729 1.62557378 0.31859768 -1.39463283 -1.15622509 -1.74250994 2.27722994 -2.42705549 3.26432277 -1.03448165 -0.1336419 1.85378483 -1.85306743 1.75782585 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.468E-7 3.2829999999E-7 7.3419999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.00001835 0.00004104 0.00009177 64-77-7 5505 144208810 A A Tolbutamide Cc1ccc(cc1)S(=O)(=O)NC(=O)NCCCC Tox21_201612 -NCGC00255730-01 196709782 tox21-ror-cho-viability-p1 set2 4 -2.74861231 -4.12761856 -2.76278789 -3.5409279 0.55793528 0.42323097 0.55899237 -0.4601372 -1.99204788 0.43765332 -5.69191197 0.74864018 -2.20814629 -5.12811575 -2.30125436 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-87-8 8995 144211808 A A 3-[Ethyl(phenyl)amino]propanenitrile CCN(CCC#N)c1ccccc1 Tox21_301491 -NCGC00255768-01 196709789 tox21-ror-cho-viability-p1 set2 4 -0.84871289 -4.17265671 -3.22654561 -6.48216692 -2.11743112 -4.64365106 -3.14983969 -6.46886907 0.230248 -2.80352694 -3.05732002 -3.25560268 -0.18455434 0.04020487 1.72306887 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 535-87-5 12062 144212365 D A 3,5-Diaminobenzoic acid Nc1cc(cc(N)c1)C(=O)O Tox21_302048 -NCGC00090704-03 196709790 tox21-ror-cho-viability-p1 set2 4 6.60849025 0.37237718 2.02543069 2.36009653 1.37142081 1.37410306 1.69861613 -1.85868083 1.06942224 2.59357125 3.76352667 1.44715902 0.84390059 2.07755429 1.28177651 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00256226-01 196709792 tox21-ror-cho-viability-p1 set2 4 1.92571592 0.08932259 0.69678364 -0.95376268 -1.09724477 1.11039623 -0.11022594 1.14807597 0.68558614 -0.82250282 1.90381863 2.09997631 0.44742903 -0.00550597 -0.57685578 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 999-21-3 5354266 144211787 Z Z Diprop-2-en-1-yl (2Z)-but-2-enedioate O=C(\C=C/C(=O)OCC=C)OCC=C Tox21_301470 -NCGC00256126-01 196710190 tox21-ror-cho-viability-p1 set2 4 -2.1737456 0.31344532 3.07477733 -0.77438967 3.47262247 1.63951644 2.53476711 0.84611979 2.91780404 2.44325129 2.10745706 0.64866202 2.27002714 -0.0234908 3.7354786 6.465E-10 1.446E-9 3.232E-9 7.2279999999E-9 1.616E-8 3.614E-8 8.081E-8 1.807E-7 4.0409999999E-7 9.0349999999E-7 0.0000020199999999 0.000004517 0.0000101 0.00002259 0.000050509999999 17766-26-6 6099917 144211595 D Trisodium 2,4,6-trithioxo-1,3,5-triazinane-1,3,5-triide [Na+].[Na+].[Na+].S=C1[N-]C(=S)[N-]C(=S)[N-]1 Tox21_301278 -NCGC00259338-01 196705650 tox21-ror-cho-viability-p1 set1 4 54.9262221145 -14.15446532 2 -12.15446532 2.2481167061 0.5948283412 0.101699122 1.93829177 -0.0571378 9.7472352 1.70109942 2.67373433 2.25018349 -0.22266755 -0.31593119 2.84711315 0 0.63735555 0.77152517 1.05098698 -2.91710964 -8.8787211 1.188E-9 2.656E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.639E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.000003712 0.000008299 0.00001856 0.0000415 0.00009279 91-44-1 7050 144208987 A A 7-Diethylamino-4-methylcoumarin CCN(CC)c1ccc2c(c1)OC(=O)C=C2C Tox21_201789 -NCGC00256594-01 196719282 tox21-ror-cho-viability-p1 set2 4 -0.51052617 -0.28283967 0.37513502 -2.99085251 -1.73596454 2.25096003 0.24891748 7.7116472 -1.56548945 2.47013743 1.68687406 6.97226379 -3.50699682 1.821248 5.80066191 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18883-66-4 29327 144213291 D Streptozotocin O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)N(C)N=O Tox21_302974 -NCGC00257305-01 196718428 tox21-ror-cho-viability-p1 set2 4 -3.34882622 -0.04675869 -1.28263888 -0.23020462 -0.20792658 -4.5135992 -2.65143989 0.9438943 -5.18950954 -3.47500937 -5.01795667 -0.6963391 -4.205699 -1.20166826 -1.20965209 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 32809-16-8 36242 144213945 A A Procymidone Clc1cc(cc(Cl)c1)N2C(=O)C3(C)CC3(C)C2=O Tox21_303640 -NCGC00257420-01 196719264 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -71.6686132739 -1.075272418 -72.7438856919 4.9549173134 0.987791325 2.7E-9 -3.39607017 -1.99494979 -2.5395511 1.43217998 0.17839968 -2.9526185 -2.66963167 0.24379596 0.42546146 -2.05540234 -2.76960266 -0.76698773 -2.66014444 -3.96699751 -59.3205442 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-40-5 1752 144213950 A A 4-Nonylphenol Oc1ccc(CCCCCCCCC)cc1 Tox21_303647 -NCGC00256365-01 196719277 tox21-ror-cho-viability-p1 set2 4 0.9439175816 3.840060008 -3.840060008 0 4.9549173134 0.3460531729 0.3264752957 0.7801666 -4.27426233 -3.05650074 0.08119064 -3.48021623 -8.18457834 -10.28338334 -4.37150672 -2.97852777 -2.57832253 1.54294983 1.71334605 -0.01354651 -1.43607935 -0.7009499 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 814-80-2 13144 144213213 Ac Calcium lactate [Ca+2].CC(O)C([O-])=O.[O-]C(=O)C(C)O Tox21_302896 -NCGC00254300-01 196719682 tox21-ror-cho-viability-p1 set3 4 43.2771256911 -31.971691304 -3 -34.971691304 0.7 0.5491475822 0.1359806524 -5.23795497 -9.5409407 -0.72222804 -1.65128205 -0.99807632 -1.10691933 0.35412023 -5.75234293 -5.73610373 -1.62610899 -21.17560193 -5.28079749 -5.46162306 -27.47640942 -20.67478332 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25155-30-0 23707968 144210824 F Sodium dodecylbenzenesulfonate [Na+].O=S([O-])(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_300506 -NCGC00015675-08 196719695 tox21-ror-cho-viability-p1 set3 4 -4.82518532 -14.36557845 -5.2209003 -3.18880035 -4.80286133 -3.1146504 -5.7647563 -3.89203247 0.99129227 -2.39090169 1.06818604 -3.95268772 -9.56453397 -3.73766692 2.22678506 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00253918-01 196720110 tox21-ror-cho-viability-p1 set3 4 0.0054482673 10.466695188 -11.466695188 -1 4.9549173134 0.6989967462 0.0388929987 -9.27564768 -13.72224599 -5.33754991 -0.6388158 -5.5508706 0.3217571 -1.31314411 -1.59740134 -0.6226079 -1.08136956 1.01314937 2.76141866 -5.0329969 -3.58815484 1.42632937 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-46-3 5054 144210460 A A Resorcinol Oc1cccc(O)c1 Tox21_300140 -NCGC00254364-01 196720111 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -36.61895114 -3.5 -40.11895114 4.9549173134 0.8908565446 0.0004984323 -3.77939639 -6.62638115 -5.32302559 -10.20390945 -4.17200151 -3.92021378 0.06260786 -4.27693501 -4.26847608 -0.1451653 -0.82070845 -0.56577502 -3.12183323 -5.1642199 -33.427739 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 510-15-6 10522 144210911 A A Chlorobenzilate OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(=O)OCC Tox21_300594 -NCGC00091284-03 196720114 tox21-ror-cho-viability-p1 set3 4 -5.295007 8.91540148 2.61267258 -7.79120974 -2.02738708 2.43958391 -3.74387437 -4.45092966 1.87322436 0.88670446 -0.01194896 -0.14646876 -6.20511839 -4.29807566 -2.49909861 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00164526-02 196717183 tox21-ror-cho-viability-p1 set2 4 0.0334914596 5.437075896 -4.937075896 0.5 3.9899729863 0.6363745142 0.0737712983 -6.37399584 -1.31785142 -7.03089658 -4.44943764 -4.21758755 -2.72293879 2.76774812 -0.81763302 -1.10775942 -0.32714523 -1.64688862 0.09255491 -0.18856238 1.78765068 3.92401925 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54-30-8 5902 170465936 A Camylofin CC(C)CCOC(=O)C(NCCN(CC)CC)c1ccccc1 Tox21_112157_1 -NCGC00015748-17 196716772 tox21-ror-cho-viability-p1 set2 4 29.8492948118 -14.4395464519 3.5 -10.9395464519 4.0949729863 0.4820425706 0.1953952214 0.19384891 -0.14728934 5.3370403 6.47345731 9.95475411 5.52959347 9.20286405 5.73657361 0.55376673 -0.75995096 1.27399723 2.21489291 0.34905413 1.38373468 -9.11628871 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21829-25-4 4485 170465006 B Nifedipine CC=1NC(C)=C(C(C=1C(=O)OC)c2ccccc2[N+]([O-])=O)C(=O)OC Tox21_110212_1 -NCGC00091835-10 196716775 tox21-ror-cho-viability-p1 set2 -3 37.5780357627 -67.7354607859 1.9398933749 -65.795567411 4.9549173134 0.63846781 0.0708359404 -8.16559716 -5.93269142 -0.95223693 -1.04884627 -6.08485199 -6.29425541 0.21259108 -0.00929881 -0.44015637 -0.63490869 -0.34938261 10.18154713 14.93018597 32.80467122 -62.79639503 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55-86-7 5935 170465017 Z Chlormethine Cl.ClCCN(C)CCCl Tox21_111170_1 -NCGC00258716-01 196730022 tox21-ror-cho-viability-p1 set3 4 1.92197853 0.42989882 1.0527637 -4.42239188 -4.85315116 0.03748507 -1.11011628 -4.3748734 -1.39265387 1.95293571 -2.77545305 -0.507606 -2.29468605 -1.26467459 -2.83194165 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.3169999999E-8 2.9459999999E-8 6.587E-8 1.4729999999E-7 3.2929999999E-7 7.364E-7 0.0000016469999999 0.0000036819999999 0.000008234 0.000018409999999 0.00004117 0.00009206 488-41-5 656655 144208362 A F Dibromomannitol O[C@H]([C@H](O)CBr)[C@H](O)[C@H](O)CBr Tox21_201164 -NCGC00258729-01 196729614 tox21-ror-cho-viability-p1 set3 4 0.79707638 -0.45357511 -1.84958938 1.25328228 0.26479766 -1.00797038 0.03886777 1.47451375 2.06454804 -0.33124456 -0.84107203 0.94509851 2.01501521 0.25778449 1.00934752 1.211E-9 2.709E-9 6.056E-9 1.3539999999E-8 3.028E-8 6.771E-8 1.514E-7 3.386E-7 7.5709999999E-7 0.000001693 0.0000037849999999 0.000008464 0.00001893 0.00004232 0.00009463 25584-83-2 61249 144208375 D Hydroxypropyl acrylate C=CC(=O)OCC(C)O Tox21_201177 -NCGC00257840-01 196730010 tox21-ror-cho-viability-p1 set3 4 12.1723476755 10.522669984 -2.522669984 8 3.0654483358 0.744930761 0.0212016039 -4.97521306 -3.80500384 -3.09355261 1.57226649 0.21887766 -3.1363058 -5.36728684 -2.08042533 -5.43555832 0.75584972 -2.15344946 -3.55263058 8.66092976 7.28528279 7.2918705 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.586E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009204 118-91-2 8374 144207484 A A 2-Chlorobenzoic acid OC(=O)c1ccccc1Cl Tox21_200286 -NCGC00258323-01 196730016 tox21-ror-cho-viability-p1 set3 4 3.4424324 0.83523866 1.45644798 4.1328612 -1.73168649 -0.8574403 2.71467097 4.39861638 4.62665777 -2.04149431 -1.49347824 0.57660423 -3.33791397 0.28305315 1.78899983 1.219E-9 2.725E-9 6.093E-9 1.3619999999E-8 3.046E-8 6.8119999999E-8 1.5229999999E-7 3.406E-7 7.616E-7 0.000001703 0.000003808 0.000008515 0.000019039999999 0.00004257 0.0000952 105-58-8 7766 144207967 AC Fns Diethyl carbonate O=C(OCC)OCC Tox21_200769 -NCGC00257786-01 196730422 tox21-ror-cho-viability-p1 set3 4 0.0390812578 -4.1143108319 4 -0.1143108319 1.9673362061 0.4539355689 0.2415425846 1.91490985 1.83758884 7.27886153 6.43408588 0.65297899 1.05344945 0.95362204 0.50757223 0.31041555 -0.86046869 -4.67859236 0.62992164 1.52365889 0.78933781 4.01156096 1.193E-9 2.667E-9 5.963E-9 1.333E-8 2.981E-8 6.6669999999E-8 1.491E-7 3.3329999999E-7 7.4539999999E-7 0.0000016669999999 0.0000037269999999 0.000008333 0.00001863 0.00004167 0.00009317 108-69-0 7949 144207430 A A 3,5-Dimethylaniline Cc1cc(N)cc(C)c1 Tox21_200232 -NCGC00257695-01 196730431 tox21-ror-cho-viability-p1 set3 4 0.25581243 2.48702227 1.6713055 -0.12669471 3.54453397 3.85707451 -2.13688107 2.60936165 3.92396971 1.98628723 4.9529237 0.22660124 1.73127428 -0.26367813 -2.14981083 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.9479999999E-8 6.591E-8 1.474E-7 3.296E-7 7.369E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 71-58-9 6279 144207339 A A Medroxyprogesterone acetate CC(=O)[C@@]3(OC(C)=O)CC[C@H]2[C@@H]4C[C@H](C)C1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_200141 -NCGC00095196-06 196725924 tox21-ror-cho-viability-p1 set3 2.2 26.6032120037 42.1091521235 -0.1710177709 41.9381343526 3.1924983358 0.8898007185 0.000521567 1.62854515 7.91736248 -0.20680194 -4.11231336 -6.04973985 -0.81782249 -0.54179763 1.31945715 -0.03310281 -4.59449396 3.80053579 1.09887126 0.14223716 12.82412438 35.72366113 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27591-97-5 5475 170466150 A Tilorone CCN(CC)CCOc2ccc3c1ccc(cc1C(=O)c3c2)OCCN(CC)CC Tox21_111484_1 -NCGC00164617-04 196725520 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -89.8664119788 -1.658772075 -91.5251840538 4.9549173134 0.9831500191 1.76E-8 1.30247158 -2.12874837 -0.09951179 -1.62231224 -0.67068266 -1.17456961 -1.5420703 0.80118707 -8.14189844 -3.96981653 -1.90837996 -0.43865849 -2.05948731 -5.42536178 -80.28524917 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 106685-40-9 60164 170464674 F Adapalene O=C(O)c1ccc2cc(ccc2c1)c3cc(c(OC)cc3)C46CC5CC(CC(C4)C5)C6 Tox21_112236_1 -NCGC00090962-05 196725918 tox21-ror-cho-viability-p1 set3 4 0 -1.16713566 -0.1231829 1.03313282 -3.66581874 -0.16281986 -0.64914713 3.68089839 2.16325791 9.32082572 3.0294537 14.35804132 -1.81016069 -1.31530695 -3.92801063 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00249916-01 196725921 tox21-ror-cho-viability-p1 set3 2.4 1.4960085492 28.3116869921 0.6883130079 29 0.6 0.7870986381 0.0140652746 1.7633111 2.47864639 -0.25973916 0 0 0 17.03210354 0 11.90864812 9.99017259 14.73717682 20.89765211 20.2114683 25.04632825 13.91846207 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 119-48-2 3091 170465773 A A Dimorpholamine O=C(N(CCCC)CCN(CCCC)C(=O)N1CCOCC1)N2CCOCC2 Tox21_113692 -NCGC00182984-01 196725930 tox21-ror-cho-viability-p1 set3 4 0.0037578036 -15.72602972 10 -5.72602972 0.3 0.4645697256 0.2117189357 6.36792492 -0.82689499 7.8434032 -2.27990144 -1.67215729 1.03393117 -0.01250426 -1.35158058 -4.12839431 -1.48200963 1.06765611 -10.1883581 -4.18831064 -1.86608291 -6.26969814 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27877-51-6 34051 144206849 A A Tolindate Cc1cc(ccc1)N(C)C(=S)Oc2ccc3CCCc3c2 Tox21_113298 -NCGC00181786-02 196725934 tox21-ror-cho-viability-p1 set3 4 7.4978038628 23.9597741601 2.0402258399 26 0.7999999999 0.6031921703 0.1085617352 3.2550809 1.41994475 -3.2998118 5.73368789 6.29019032 3.20167624 9.6928393 0.82683255 -0.45184476 -0.67153678 4.39166064 18.73495684 16.85651003 16.26017254 6.81952432 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 143388-64-1 60875 170465423 A Naratriptan hydrochloride Cl.CN1CCC(CC1)c2cnc3ccc(CCS(=O)(=O)NC)cc23 Tox21_113617_1 -NCGC00016706-07 196697890 tox21-ror-cho-viability-p1 set1 4 0.1496008549 -8.666255104 0.5 -8.166255104 2.7202212143 0.825648434 0.004469262 0.04655479 -1.31355957 -0.42051149 0.11425393 2.88711458 0.29408907 1.60752686 -4.21482382 -9.96142239 -4.92621526 -9.16708691 -6.12564441 -6.12247773 -11.38854592 -7.9370466 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14255-87-9 26596 170466402 A Parbendazole O=C(OC)Nc1nc2cc(ccc2n1)CCCC Tox21_110571_1 -NCGC00091351-03 196724040 tox21-ror-cho-viability-p1 set3 4 0.1009389533 8.0912000839 -4.0912000839 4 2.3331733767 0.605318918 0.0935842027 1.2145648 -2.00907801 -8.32396136 -10.07600007 1.03791011 -2.75687272 1.3828366 5.09276034 5.95159456 6.60551309 3.73523388 3.57528694 1.98624478 2.19350445 3.94893935 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00090954-07 196697902 tox21-ror-cho-viability-p1 set1 4 10.5909294584 14.1119766679 -4.1119766679 10 0.3 0.5383755505 0.1465852459 -3.05315639 -1.92846659 -8.84331389 -2.10691674 0.17783322 -3.37526345 0.16620745 3.28214495 -0.60908549 -0.92226905 -0.63872524 -1.43799573 3.31439436 3.53084547 6.80380051 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1642-54-2 15432 170465631 F Diethylcarbamazine citrate O=C(N1CCN(C)CC1)N(CC)CC.O=C(O)C(O)(CC(=O)O)CC(=O)O Tox21_110748_1 -NCGC00260433-01 196724067 tox21-ror-cho-viability-p1 set3 4 0.0990570434 5.0964427159 -4.0964427159 1 2.4063783767 0.5071817066 0.1909800851 -3.43777694 -3.24643872 -6.33036893 -3.88130874 -2.41092445 -4.6017878 0.91194019 3.84205135 -1.6929383 1.00313385 5.67941253 -2.7043822 -1.43751043 0.90181943 -12.72386895 1.202E-9 2.687E-9 6.008E-9 1.344E-8 3.0039999999E-8 6.718E-8 1.5019999999E-7 3.359E-7 7.51E-7 0.000001679 0.0000037549999999 0.000008397 0.00001878 0.000041979999999 0.000093879999999 96-91-3 4921319 144210085 A A 2-Amino-4,6-dinitrophenol Nc1cc(cc([N+]([O-])=O)c1O)[N+]([O-])=O Tox21_202887 -NCGC00160648-02 196697894 tox21-ror-cho-viability-p1 set1 4 11.8832183006 -16.2980263239 0.5 -15.7980263239 1.6258976909 0.7983421966 0.0082930943 1.99859118 -0.03021019 2.19128299 1.79308531 -0.89866739 1.26171377 -0.94715403 0.3124818 -0.74651454 -0.92644825 2.90620006 -6.88712784 -1.73239492 -13.99835527 -12.83003823 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 495-84-1 5371318 170466458 A Salinazid O=C(N/N=C/c1ccccc1O)c2ccncc2 Tox21_111955_1 -NCGC00018230-09 196698309 tox21-ror-cho-viability-p1 set1 4 -1.78686715 -0.84411794 -4.10495777 -4.10393389 -3.19845168 -2.8854003 -0.24745882 -6.66615527 -3.1881314 -3.56190506 -1.49689188 -1.36292884 -3.02888105 1.01349204 0.53557658 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17692-31-8 3169 170466654 A Dropropizine OC(CN1CCN(CC1)c2ccccc2)CO Tox21_110842_1 -NCGC00090827-04 196698314 tox21-ror-cho-viability-p1 set1 4 0.0821697 4.96146872 0.98470485 0.72862078 1.36377101 -0.9538199 3.62408424 3.93933304 0.52287403 1.98967703 -0.01234724 2.68430131 0.61402944 0.01752573 2.04276205 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00094918-07 196698331 tox21-ror-cho-viability-p1 set1 4 -7.12564938 1.20307112 -1.15708404 1.91803731 -7.41704603 -1.61437808 -1.28633626 2.13921899 0.8272525 1.57569867 1.69874949 0.94385443 0.99174878 1.43463213 1.24914621 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 81-07-2 5143 170465766 A Saccharin O=C2NS(=O)(=O)c1ccccc12 Tox21_111358_1 -NCGC00254975-01 196698729 tox21-ror-cho-viability-p1 set1 4 0.76994649 4.15555057 2.05019945 1.13897212 3.40558781 6.25338936 3.72794583 1.77398166 3.27917707 5.72687 3.01166763 -0.63012998 5.63867653 2.60288069 5.8669435 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106797-53-9 86266 144211391 A A 2-Hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one CC(C)(O)C(=O)c1ccc(OCCO)cc1 Tox21_301074 -NCGC00254491-01 196698746 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -11.066005592 0 -11.066005592 2.6384283767 0.5627055126 0.1282711323 -1.19180439 -0.93479929 -0.97385014 5.79891011 -0.22266276 0.17855333 0.05456439 -0.70108191 -0.13289928 0.12777239 -1.32196113 0.70822354 -2.09389379 -1.77840565 -7.55500466 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107534-96-3 86102 144210805 A A Tebuconazole OC(Cn1cncn1)(CCc2ccc(Cl)cc2)C(C)(C)C Tox21_300487 -NCGC00254136-01 196699146 tox21-ror-cho-viability-p1 set1 -2.1 46.4911955522 -101.5677503673 0.1159213109 -101.4518290564 2.7202212143 0.9958638681 0 0.430437 -0.04747773 -0.48958318 -0.31556172 -0.19260379 0.36354021 -3.61124038 3.01013625 0.57819875 2.45141559 0.66573102 -0.31182692 -5.63276811 -41.37183209 -85.83065064 1.1379999999E-9 2.546E-9 5.692E-9 1.2729999999E-8 2.8459999999E-8 6.3639999999E-8 1.423E-7 3.182E-7 7.115E-7 0.0000015909999999 0.0000035579999999 0.000007955 0.000017789999999 0.00003978 0.00008894 143-50-0 299 144210418 Kepone O=C2C1(Cl)C3(Cl)C5(Cl)C1(Cl)C4(Cl)C2(Cl)C3(Cl)C4(Cl)C5(Cl)Cl Tox21_300098 -NCGC00253977-01 196699153 tox21-ror-cho-viability-p1 set1 4 3.0567225004 -13.515961944 -0.5 -14.015961944 4.9549173134 0.7349923231 0.0243328107 -10.7469133 -0.9149618 1.43691443 1.77624456 -1.66038162 1.03263858 1.64639011 -2.60587111 -0.8009994 3.30251228 1.77518865 -13.10229773 -11.44015837 -12.16676308 -17.51330162 6.017E-10 1.345E-9 3.0079999999E-9 6.727E-9 1.5039999999E-8 3.363E-8 7.521E-8 1.6819999999E-7 3.76E-7 8.408E-7 0.0000018799999999 0.000004204 0.0000094009999999 0.00002102 0.000047 87-86-5 992 144210343 A A Pentachlorophenol Clc1c(O)c(Cl)c(Cl)c(Cl)c1Cl Tox21_300023 -NCGC00256523-01 196707728 tox21-ror-cho-viability-p1 set1 4 86.3492179916 13.855350292 1.144649708 15 0.7 0.3771816341 0.2962794485 -3.21279191 0.40692168 1.89489794 2.54435757 3.06300063 0.98560822 2.12767454 7.51738615 5.48082882 -0.16612598 0.16262515 3.501505 3.12730399 4.01735617 11.6258273 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 54-31-9 3440 144213288 A A Furosemide NS(=O)(=O)c2cc(c(NCc1ccco1)cc2Cl)C(=O)O Tox21_302971 -NCGC00091663-03 196706902 tox21-ror-cho-viability-p1 set1 4 0.60033463 -1.05352271 -11.23345886 -13.87855991 1.91588733 -0.52776765 -1.21050283 -0.88062797 -10.18581471 -3.50667416 2.41634951 2.59045785 1.12641876 2.34109937 -2.24773465 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00256399-01 196707314 tox21-ror-cho-viability-p1 set1 4 61.130564862 8.7343412521 -8.742345984 -0.0080047319 4.0949729863 0.3683768897 0.3056709799 -6.10805892 -4.76210641 -9.67315351 -12.83988459 -13.53528832 -6.47658414 -11.30390642 -6.78981511 -9.70924093 -8.67418297 -7.64129606 -7.22074814 -6.75447991 -7.53031917 -1.25667061 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 563-80-4 11251 144213173 Fns 3-Methyl-2-butanone CC(C)C(C)=O Tox21_302856 -NCGC00164168-02 196707730 tox21-ror-cho-viability-p1 set1 4 4.74643791 1.78019732 1.26382125 3.1490625 1.61761626 2.58376409 1.40456646 1.30287515 10.24970895 2.0016278 2.74315904 5.09083701 0.44493018 3.82507884 2.4310861 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.000096319999999 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00257448-01 196707733 tox21-ror-cho-viability-p1 set1 4 5.26099246 0.92844838 4.66070828 1.88741413 -0.00673587 0.35814069 1.94639928 3.07805036 3.99427342 5.36973188 1.76120538 0.59246582 6.79632486 8.04618088 9.35305356 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 109-02-4 7972 144213713 Fns 4-Methylmorpholine CN1CCOCC1 Tox21_303402 -NCGC00163906-02 196707739 tox21-ror-cho-viability-p1 set1 4 0.1535530364 4.68449994 -3.18449994 1.5 4.9549173134 0.3850804407 0.2878970018 -0.77055553 -7.65374995 -7.44503483 0.69579488 1.70484024 -6.17493621 -0.63661547 2.85373953 7.02824549 0.9414199 -0.98964375 0.63916548 1.12952458 -0.17540631 2.3349014 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00257211-01 196707740 tox21-ror-cho-viability-p1 set1 4 2.23085621 1.15497162 -1.30450125 1.80535269 0.65259643 -0.96002498 -1.07800027 -0.02289348 0.88481992 -1.8946809 2.97149817 -0.27486541 3.34179504 3.12387554 2.07575344 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 603-35-0 11776 144213611 D A Triphenylphosphine c1ccccc1P(c2ccccc2)c3ccccc3 Tox21_303294 -NCGC00256990-01 196707741 tox21-ror-cho-viability-p1 set1 4 0.0038570779 -12.072732964 -3.6426893519 -15.7154223159 0.9999999999 0.3626421522 0.3251153291 -8.7554936 -12.10114156 -3.03557446 -15.00106166 -14.51233172 -19.76285193 -17.08254677 -18.13678665 -18.25220172 -17.0340167 -13.13737995 -14.04161545 -10.90373911 -14.02240488 -9.97830658 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-68-5 7154 144213463 A C N-(2-Methylphenyl)-3-oxobutanamide O=C(Nc1ccccc1C)CC(C)=O Tox21_303146 -NCGC00257388-01 196707742 tox21-ror-cho-viability-p1 set1 4 0.11952528 1.72588334 -1.5444969 -1.67402091 -0.06112263 2.69997472 -1.22728339 -2.52610821 4.60493599 0.02676397 4.09781977 -1.1739183 0.10436694 -0.8642879 5.78880338 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1124-64-7 2734171 144213811 A N-Butylpyridinium chloride [Cl-].CCCC[n+]1ccccc1 Tox21_303503 -NCGC00257198-01 196708137 tox21-ror-cho-viability-p1 set1 4 0.42855664 2.22034636 -0.75439762 1.17036535 0.2958775 0.70206561 0.9197511 1.32869477 1.52725858 -1.0673512 1.02525409 1.17822937 2.50464691 -1.45754091 2.36410863 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 111-40-0 8111 144213431 F Diethylenetriamine NCCNCCN Tox21_303114 -NCGC00259035-01 196706086 tox21-ror-cho-viability-p1 set1 4 31.6375718016 -19.409086908 0 -19.409086908 1.01 0.7223824417 0.028980894 -1.07345854 2.06343167 0.76934058 0 -1.74762291 2.05810749 -0.62345755 -6.46377785 5.70024207 0.87941572 -5.16015129 -3.11252787 -8.71015086 -8.18245116 -16.17423909 1.212E-9 2.71E-9 6.061E-9 1.3549999999E-8 3.03E-8 6.7759999999E-8 1.515E-7 3.388E-7 7.576E-7 0.0000016939999999 0.0000037879999999 0.00000847 0.00001894 0.00004235 0.0000947 85509-19-9 73675 144208682 A A Flusilazole C[Si](Cn1cncn1)(c2ccc(F)cc2)c3ccc(F)cc3 Tox21_201484 -NCGC00259923-01 196705685 tox21-ror-cho-viability-p1 set1 4 54.4826732819 -24.3016071319 1.5 -22.8016071319 3.9294729863 0.9512253814 0.0000074151 0.52003951 3.83500269 1.37641479 1.66551933 -0.20829063 0.85160004 0.07310133 1.8922171 0.32799573 4.03967828 0.61700635 0.81484116 2.2939079 -5.09010449 -19.83467261 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.00001844 0.000041219999999 0.00009218 732-26-3 12902 144209572 A F 2,4,6-Tris(tert-butyl)phenol CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(C)(C)C Tox21_202374 -NCGC00259189-01 196705687 tox21-ror-cho-viability-p1 set1 4 -8.48004949 0.07168287 -15.98909865 -4.70804165 -2.46341651 -1.39970578 -1.45751393 -10.88668162 7.683348 -13.66047193 0.83216674 3.48811926 -4.63171011 -0.62747396 -4.80410283 1.141E-9 2.5509999999E-9 5.705E-9 1.276E-8 2.852E-8 6.378E-8 1.426E-7 3.189E-7 7.1309999999E-7 0.000001594 0.0000035649999999 0.000007972 0.000017829999999 0.000039859999999 0.00008913 563-47-3 11241 144208838 AC Ac 3-Chloro-2-methylpropene C=C(C)CCl Tox21_201640 -NCGC00256882-01 196718847 tox21-ror-cho-viability-p1 set2 4 1.23045295 0.48243201 0.44173538 1.80389758 0.4663586 0.77362908 -0.07799546 4.37689744 2.26755817 0.66032814 3.28484522 0.12156711 5.50575684 0.58391669 2.32105668 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2897-60-1 62467 144212978 F F Diethoxy(methyl)[3-(oxiran-2-ylmethoxy)propyl]silane C[Si](CCCOCC1CO1)(OCC)OCC Tox21_302661 -NCGC00256903-01 196718442 tox21-ror-cho-viability-p1 set2 4 -2.30790026 -1.47167384 0.03445957 -0.53464922 -0.31244848 -0.42177932 -0.11865002 0.81838257 -0.24230237 4.136584 -0.64280012 0.8251468 0.72159768 0.4090631 5.06490203 1.2789999999E-9 2.86E-9 6.3949999999E-9 1.4299999999E-8 3.1969999999E-8 7.1499999999E-8 1.5989999999E-7 3.5749999999E-7 7.9939999999E-7 0.0000017869999999 0.000003997 0.000008937 0.00001998 0.000044689999999 0.000099919999999 6010-91-9 12338093 144212979 F Pyrimidine-2,4,5,6(1H,3H)-tetrone tetrahydrate O.O.O.O.O=C1C(=O)NC(=O)NC1=O Tox21_302662 -NCGC00016000-13 196718453 tox21-ror-cho-viability-p1 set2 -2.2 62.5631710251 -45.3862219819 -2.27397398 -47.6601959619 3.9294729863 0.7683016049 0.0144619443 -0.1440482 0.74582469 0.59761475 1.55666665 2.3228076 7.84565195 -1.37564011 -0.72559964 -11.44427206 -13.29494416 -8.54403311 -2.50647441 -2.19165386 -10.1710576 -39.89408785 1.203E-9 2.6909999999E-9 6.0159999999E-9 1.345E-8 3.0079999999E-8 6.726E-8 1.504E-7 3.3629999999E-7 7.52E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.000094 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00256647-01 196718456 tox21-ror-cho-viability-p1 set2 -2.2 34.3762428541 -41.5128169313 -3.4363915579 -44.9492084892 2.1210667061 0.9252514342 0.0000726033 -2.64500161 0.21995053 -7.21309369 -0.28208012 -4.62952608 -5.44520796 -4.43527658 -4.94691741 -6.34098507 0.19726157 0.29606412 -2.32291186 -17.63966448 -24.46118878 -44.06785146 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 5174-32-3 21619272 144212881 F A 2-Acetoxy-5-nitrobenzyl chloride O=C(C)Oc1ccc(cc1CCl)[N+]([O-])=O Tox21_302564 -NCGC00256937-01 196718849 tox21-ror-cho-viability-p1 set2 4 2.73317786 2.31550231 2.24873632 6.31027156 3.15119871 3.00924429 0.70693603 0.08597964 5.29804199 2.67406986 -2.38454469 2.25853569 0.80578907 3.74431216 0.11158198 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-27-0 8042 144213488 A Fns Isopropyl tetradecanoic acid CC(C)OC(=O)CCCCCCCCCCCCC Tox21_303171 -NCGC00257215-01 196718869 tox21-ror-cho-viability-p1 set2 4 1.59216129 1.93696235 -0.99966368 -0.17373353 -5.26164935 2.21307881 1.86797283 2.84411759 -3.2217732 -5.24119829 -2.3108973 1.6311768 1.09535451 -0.62083927 -2.48783238 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-16-7 444266 144213362 F A Maleic acid O=C(O)/C=C\C(=O)O Tox21_303045 -NCGC00257434-01 196719300 tox21-ror-cho-viability-p1 set2 4 -0.92300734 -1.11719967 4.28977779 0.28619301 -2.11681545 4.87676371 -0.52967959 5.90968825 2.72977407 3.78817963 6.05904412 3.20082693 2.62246727 1.05388196 -2.01988416 7.904E-10 1.7669999999E-9 3.952E-9 8.8369999999E-9 1.976E-8 4.419E-8 9.88E-8 2.209E-7 4.94E-7 0.000001105 0.00000247 0.0000055229999999 0.000012349999999 0.00002762 0.00006175 67-30-1 65552 144213801 A Tetrac O=C(O)Cc2cc(I)c(Oc1cc(I)c(O)c(I)c1)c(I)c2 Tox21_303492 -NCGC00091284-03 196715961 tox21-ror-cho-viability-p1 set2 4 1.7083959 -3.62562393 -5.90346119 1.5239176 -3.11688967 -1.84334259 -3.46517836 0.83169363 1.05941998 -4.02873719 -4.4537133 1.11570245 -3.38138907 -1.66579089 -3.67475823 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00257687-01 196715560 tox21-ror-cho-viability-p1 set2 4 2.72187014 1.8320482 -0.62199799 1.86155296 4.39130076 2.30066051 1.09363045 0.37900491 2.39963004 0.09806039 0 1.30213335 1.21023644 -0.43604338 0.2462924 1.194E-9 2.67E-9 5.9709999999E-9 1.335E-8 2.986E-8 6.676E-8 1.493E-7 3.338E-7 7.464E-7 0.000001669 0.000003732 0.000008345 0.00001866 0.00004172 0.000093299999999 628-36-4 12342 144207331 1,2-Diformylhydrazine O=CNNC=O Tox21_200133 -NCGC00257593-01 196715563 tox21-ror-cho-viability-p1 set2 4 0.07453912 -1.84566883 -1.19395821 1.82180899 -3.51711377 -1.75803512 -6.47588194 -0.86674471 -0.71668696 -3.32148818 0.8407912 -3.06941425 -4.45391439 -0.87907365 1.58479493 1.163E-9 2.602E-9 5.817E-9 1.301E-8 2.909E-8 6.5039999999E-8 1.454E-7 3.252E-7 7.2719999999E-7 0.0000016259999999 0.000003636 0.00000813 0.00001818 0.00004065 0.000090889999999 56-23-5 5943 144207237 Carbon tetrachloride ClC(Cl)(Cl)Cl Tox21_200039 -NCGC00257684-01 196715569 tox21-ror-cho-viability-p1 set2 4 3.85867182 3.77329559 1.76129202 3.05105948 1.01232388 7.25205127 0.02292514 2.82309829 2.44264189 -0.17927599 1.02498056 0.35141069 -0.22213866 2.51890483 -0.25371181 1.194E-9 2.67E-9 5.9709999999E-9 1.335E-8 2.985E-8 6.676E-8 1.493E-7 3.338E-7 7.464E-7 0.000001669 0.000003732 0.000008345 0.00001866 0.00004172 0.00009329 593-81-7 10313079 144207328 A A N,N-Dimethylmethanamine hydrochloride Cl.CN(C)C Tox21_200130 -NCGC00090910-03 196715962 tox21-ror-cho-viability-p1 set2 4 0.50492503 0.27562379 -0.21734109 -0.53914884 -5.22180366 -1.2081632 -2.52780585 -0.99222205 -0.58299725 -2.32890359 -0.04929385 -1.55628359 -2.82282153 -0.28119858 -2.34322097 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00258616-01 196715966 tox21-ror-cho-viability-p1 set2 4 3.13663803 3.77518078 5.43540467 4.88443713 3.64088047 6.95521296 1.11026943 4.46164801 -1.45959442 -1.12333179 -1.12946681 2.74864586 -1.21190525 -1.28241241 1.63949698 1.165E-9 2.605E-9 5.8259999999E-9 1.303E-8 2.9129999999E-8 6.514E-8 1.457E-7 3.2569999999E-7 7.2829999999E-7 0.000001628 0.000003641 0.000008142 0.00001821 0.00004071 0.00009103 634-93-5 12471 144208261 A A 2,4,6-Trichloroaniline Clc1cc(Cl)cc(Cl)c1N Tox21_201063 -NCGC00256205-01 196728022 tox21-ror-cho-viability-p1 set3 4 0.94243679 7.01774299 0.5603818 8.93292098 -1.01420857 -1.41308302 3.58438404 7.72413403 3.11314077 7.56178371 -4.17067397 2.68579981 4.48988132 2.47290603 4.2292248 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77771-02-9 173604 144211950 A A 3-Bromo-4-fluorobenzaldehyde Fc1ccc(C=O)cc1Br Tox21_301633 -NCGC00255353-01 196728008 tox21-ror-cho-viability-p1 set3 4 15.3553036427 20.2094841479 -3.2094841479 17 4.9549173134 0.5193956046 0.1774792702 0.963888 -10.59123679 -8.4816859 -7.88827641 1.03782214 13.07844111 -1.48373649 -2.2844016 -2.18310325 -2.85986622 -10.11867515 -8.02695971 12.17971387 16.55673928 4.92967738 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69045-83-6 94647 144212061 A Ac 2,3-Dichloro-5-(trichloromethyl)pyridine Clc1cc(cnc1Cl)C(Cl)(Cl)Cl Tox21_301744 -NCGC00256288-01 196728010 tox21-ror-cho-viability-p1 set3 4 1.80333587 4.09750204 6.44413828 -1.7910003 5.91099017 -0.85597482 1.08330689 -8.42978066 1.15242551 5.93211433 -5.54153578 3.51681297 2.96276936 -2.95399689 8.56304724 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 539-88-8 10883 144212609 A A Ethyl levulinate O=C(C)CCC(=O)OCC Tox21_302292 -NCGC00255884-01 196728014 tox21-ror-cho-viability-p1 set3 4 5.4482673282 -6.240976976 4 -2.240976976 4.9549173134 0.5579185388 0.1465850707 5.64622278 6.66607595 3.01292343 5.63015738 -1.24450036 4.77467795 2.027471 3.7207694 2.19105896 3.18383175 5.95171774 -3.53414748 -0.74541814 -2.42638246 2.58922803 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2905-67-1 76192 144212552 A Ac Methyl 3,5-dichlorobenzoate Clc1cc(cc(Cl)c1)C(=O)OC Tox21_302235 -NCGC00255784-01 196728024 tox21-ror-cho-viability-p1 set3 -2.1 60.6956566923 -76.2637403655 1.1077877489 -75.1559526166 4.0949729863 0.9853520326 7.8E-9 0 1.9437455 5.3062871 4.35748131 -0.28883431 1.22814016 1.361285 1.47932239 -1.12933205 -2.66687814 1.26669333 2.79277344 -1.28385887 -10.81664047 -63.61583541 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.0000036659999999 0.000008198 0.00001833 0.00004099 0.000091659999999 630-56-8 169870 144212650 A A Hydroxyprogesterone caproate CC(=O)[C@@]3(OC(=O)CCCCC)CC[C@H]2[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_302333 -NCGC00255878-01 196728028 tox21-ror-cho-viability-p1 set3 4 -4.36955444 9.22632855 -0.55086918 24.9985674 7.30493908 5.09064953 9.95849154 6.65769152 12.34419 11.03360999 13.2119356 6.1779463 4.4490131 6.56372816 8.92738007 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 130-20-1 8532 144212548 Fns D&C Blue No. 9 O=C4c3c2Nc6c(Cl)cc1C(=O)c7ccccc7C(=O)c1c6Nc2c(Cl)cc3C(=O)c5ccccc45 Tox21_302231 -NCGC00255386-01 196728428 tox21-ror-cho-viability-p1 set3 4 2.4336516212 7.2405019839 -1.7405019839 5.5 4.9549173134 0.6262102537 0.0795184513 -0.1775516 -4.69862394 -3.67404911 -6.45041832 -0.85409945 -0.4077414 2.08968035 -0.37086649 -0.55468256 -2.65940196 7.5805857 6.78554829 6.59062156 0.37946875 5.5640711 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81-14-1 6669 144211944 A A Musk ketone O=[N+]([O-])c1c(C)c(c(C)c(c1C(C)(C)C)[N+]([O-])=O)C(C)=O Tox21_301627 -NCGC00357136-01 196724349 tox21-ror-cho-viability-p1 set3 4 34.3762428541 9.9007064719 -0.9007064719 9 2.09374246 0.3465520557 0.3241654829 2.05492779 0.997349 -6.58392206 7.21847504 -4.43537257 -3.19537283 -4.77933555 -0.79675195 -2.24003578 -2.27499764 4.82582984 -4.10416568 3.98766498 3.18292193 9.08578906 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5694-00-8 91550 251919703 A Glycidamide NC(=O)C1CO1 Tox21_303874 -NCGC00260479-01 196724751 tox21-ror-cho-viability-p1 set3 4 27.5005172729 -18.3851807 4.5 -13.8851807 1.3437170999 0.5757220878 0.115116842 -6.43788939 2.59056465 1.84411458 2.58321814 7.24249916 5.56391599 9.0557639 4.02370878 8.09840801 6.99090011 7.5965715 -2.92619408 -3.64934028 -4.03079906 -12.40431725 1.187E-9 2.6549999999E-9 5.936E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.318E-7 7.42E-7 0.000001659 0.0000037099999999 0.0000082959999999 0.00001855 0.000041479999999 0.000092749999999 573-17-1 11309 144210131 A A 9-Bromophenanthrene Brc2cc3ccccc3c1ccccc12 Tox21_202933 -NCGC00255271-01 196700392 tox21-ror-cho-viability-p1 set1 4 27.3060203028 -10.532947752 0 -10.532947752 4.9549173134 0.675382028 0.0505051671 0.93641598 1.33714596 -0.14339562 -5.6344263 2.39578603 2.27347609 0.06680842 0.8748149 0.35708539 -4.53243716 0.60455379 -0.3689161 -0.20213932 -11.27745646 -8.4692616 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63612-50-0 4493 144211906 A A Nilutamide FC(F)(F)c1cc(ccc1[N+]([O-])=O)N2C(=O)C(C)(C)NC2=O Tox21_301589 -NCGC00254355-01 196699981 tox21-ror-cho-viability-p1 set1 4 2.42486774 1.01796217 0.55221938 1.06076355 -0.69226246 -1.04663488 2.51195102 -0.97888301 -1.0486175 1.03245735 0.37536262 0.71784466 7.59574986 2.4787003 0.74899702 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 134-03-2 23667548 144210873 I Sodium L-ascorbate [Na+].OC=1C(=O)O[C@H]([C@@H](O)CO)C=1[O-] Tox21_300556 -NCGC00091284-03 196699982 tox21-ror-cho-viability-p1 set1 4 0.7721309 0.06853436 0.26623693 0.84787102 0.10119548 2.23932397 -2.93814278 2.99374664 -0.39328563 -3.52898003 -0.81415876 0.52554595 0.04484 -0.0677646 0.60425839 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00253959-01 196699987 tox21-ror-cho-viability-p1 set1 4 -0.77826147 1.72831743 3.65372267 -0.80045397 1.17975242 6.51007478 -0.3163261 1.7287304 1.63296267 2.1572764 -0.49712463 -0.64570884 0.77974291 1.31738995 2.98708406 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-99-7 7784 144210486 A A Dibutyl hexanedioate O=C(CCCCC(=O)OCCCC)OCCCC Tox21_300166 -NCGC00255877-01 196700400 tox21-ror-cho-viability-p1 set1 4 17.2289340586 8.30051574 -2.30051574 6 0.5999999999 0.3623140343 0.3285688186 -3.35148534 -4.17247603 0.05434073 -4.8100388 -0.09666825 0.59404288 0.53767765 -6.91709645 0.52467629 -0.40600433 0.89191767 -0.73276498 1.51260602 3.86282299 -0.14731743 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2031-67-6 16241 144211627 Fns Triethoxymethylsilane CCO[Si](C)(OCC)OCC Tox21_301310 -NCGC00256067-01 196700402 tox21-ror-cho-viability-p1 set1 4 0.0076958822 -17.571313916 1.004615192 -16.566698724 0.3 0.3143448875 0.3540275917 -4.16218594 -6.52049538 -3.6253669 -12.18933928 -12.94884154 -9.97587102 -12.85351318 -11.5276932 -12.44391093 -3.32948734 -22.55558227 -12.22107959 -21.58174051 -6.27712544 -20.41422145 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 34562-31-7 118703 144211656 D 3,5-Diethyl-1-phenyl-2-propyl-1,2-dihydropyridine CCC2=CN(c1ccccc1)C(CCC)C(=C2)CC Tox21_301339 -NCGC00255218-01 196700408 tox21-ror-cho-viability-p1 set1 -1.1 24.31622023 -84.619341055 -2.866251266 -87.485592321 3.5117481694 0.9633834348 0.0000014938 2.89232411 1.19596677 -8.58444576 -17.30633173 -1.48297392 -0.17047546 2.04097364 -1.43568986 0.28243228 -1.32436569 -6.70926036 -6.33576554 -14.66956617 -70.49510623 -85.77018855 9.733E-10 2.176E-9 4.8659999999E-9 1.088E-8 2.433E-8 5.4409999999E-8 1.2169999999E-7 2.72E-7 6.083E-7 0.00000136 0.0000030409999999 0.000006801 0.00001521 0.000034 0.00007604 145040-37-5 2540 144212519 A F Candesartan cilexetil O=C(OC1CCCCC1)OC(C)OC(=O)c5cccc6nc(OCC)n(Cc2ccc(cc2)c3ccccc3c4nnnn4)c56 Tox21_302202 -NCGC00255747-01 196700804 tox21-ror-cho-viability-p1 set1 4 0.0215576649 -10.4444437879 1.662669272 -8.7817745159 0.5 0.6957274188 0.0498307082 -0.28110894 -1.10331365 -1.19446257 -3.2185403 -3.56548407 -5.09653166 -7.57876092 -6.41247231 -6.84787045 -3.36239114 -12.31814543 -8.67231826 -5.93543194 -10.44246699 1.18480934 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 2687-91-4 17595 144212457 A Fc 1-Ethyl-2-pyrrolidinone O=C1CCCN1CC Tox21_302140 -NCGC00255999-01 196700816 tox21-ror-cho-viability-p1 set1 4 15.3553036427 14.9593319119 -3.9593319119 11 0.5 0.7498676121 0.0197360463 -0.93290748 -4.76994247 -7.04944326 -4.56306322 -4.15287499 -3.2890121 -0.99907362 1.03721966 0.14706738 -2.85189922 0.234933 4.1512398 0.22009476 6.72626056 8.14047345 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2163-00-0 16551 144212438 A Ac 1,6-Dichlorohexane ClCCCCCCCl Tox21_302121 -NCGC00255817-01 196701220 tox21-ror-cho-viability-p1 set1 4 -3.35821855 5.87287282 0.08276865 -1.55484202 8.11040422 -0.33624113 -1.41438008 0.35659218 0.05173252 -4.69684728 -1.48939768 -2.27574698 -1.6119396 -1.78351402 -3.66346172 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2752-17-2 75982 144211712 F Ac 2,2'-Oxybis(ethylamine) NCCOCCN Tox21_301395 -NCGC00357235-01 196724081 tox21-ror-cho-viability-p1 set3 4 0.0030637859 10.377221852 -8.877221852 1.5 0.4999999999 0.3837630611 0.2900853166 -5.73101821 -3.01214873 -2.86374576 -3.10712851 0.9561525 -1.3251191 -0.47776966 3.80688784 -2.6443535 -0.35731507 5.22791819 -3.79987932 -0.8649012 1.81232892 6.0575445 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-26-4 7644 251919828 A Methyl cinnamate O=C(C=Cc1ccccc1)OC Tox21_304025 -NCGC00164559-03 196723261 tox21-ror-cho-viability-p1 set3 4 2.3710137656 -8.8386435719 -1 -9.8386435719 0.9999999999 0.7165012171 0.0316264103 -1.38488387 0.5056063 -1.78593577 -3.50617263 -2.47233202 0.51559941 0.38192868 -3.12314843 -1.99362217 -4.83994284 -4.17191643 -3.60319981 -12.36553631 -8.37142783 -7.99553609 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 136434-34-9 60834 170465319 A Duloxetine hydrochloride Cl.CNCC[C@H](Oc1cccc2ccccc12)c3cccs3 Tox21_112188_1 -NCGC00259770-01 196708565 tox21-ror-cho-viability-p1 set2 4 -1.5750002 1.28705815 0.30524993 -1.96736603 -0.83694559 -0.08659985 -1.33986274 -1.15163 1.65128762 -1.34699012 -0.88481716 -3.29989423 -1.58896466 -0.52464783 0.80996399 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.3289999999E-7 7.445E-7 0.000001665 0.0000037219999999 0.000008324 0.00001861 0.00004162 0.00009306 57-68-1 5327 144209419 A A Sulfamethazine O=S(=O)(Nc1nc(C)cc(C)n1)c2ccc(N)cc2 Tox21_202221 -NCGC00256892-01 196708153 tox21-ror-cho-viability-p1 set1 4 8.02610766 3.99454971 1.46925312 2.94191752 2.383269 1.35905766 0.91712486 4.12752797 -3.77042185 0.05951056 0.57388485 0.90600135 7.15536649 3.69706397 15.07637772 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-38-8 7651 144212821 A A Benzyl 3-methylbutanoate CC(C)CC(=O)OCc1ccccc1 Tox21_302504 -NCGC00257242-01 196708155 tox21-ror-cho-viability-p1 set1 -2.2 60.7577547203 -43.4461462904 -4 -47.4461462904 2.4063783767 0.7011809448 0.0375201254 -6.71572509 -2.10604186 -0.61307319 -17.03330589 -12.18644441 -7.19519474 1.41646116 -1.17163857 -6.75558947 -9.23090484 0.70081901 1.35614295 -6.85015753 -15.4627849 -35.94405022 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 55-56-1 9552079 144213755 F A Chlorhexidine Clc2ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)cc2 Tox21_303445 -NCGC00018221-08 196708560 tox21-ror-cho-viability-p1 set2 4 1.72524623 2.06768308 1.14042981 0.23195663 3.98016534 -0.30697076 -1.49730568 3.52532317 3.32249913 1.30057279 -0.09408003 -2.55659909 -0.47624722 -1.79959026 -3.93257228 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00066947-05 196708568 tox21-ror-cho-viability-p1 set2 4 27.3060203028 -11.952256936 0 -11.952256936 2.2481167061 0.4538321493 0.2397512732 2.81214417 0.60928914 -0.44866516 -3.91104219 1.95889956 -5.42488728 -3.87155263 2.60379036 1.91249874 2.28502755 1.60102298 -2.89092235 -2.9224961 -9.12688078 -3.26600909 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00259926-01 196708967 tox21-ror-cho-viability-p1 set2 4 -1.68026381 -2.01413404 -5.03195089 -1.17667489 -3.10743454 -5.67789143 -1.65884642 -2.57909671 1.51139399 -0.79358494 -1.0658377 1.45979981 -2.84626116 -5.44066572 -4.20322385 1.188E-9 2.656E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.639E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.000003712 0.000008299 0.00001856 0.0000415 0.00009279 121-66-4 8486 144209575 A A 2-Amino-5-nitrothiazole [O-][N+](=O)c1cnc(N)s1 Tox21_202377 -NCGC00259283-01 196708979 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -74.4618386801 2.7447126785 -71.7171260016 4.9549173134 0.9829745004 1.87E-8 1.71399122 0.11620213 3.59136092 4.63816749 1.50171857 1.44024506 1.37437848 1.89274595 3.27711456 2.70499714 3.3316185 1.02873189 6.99691627 1.48439352 -58.10883016 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 1918-16-7 4931 144208932 A B Propachlor CC(C)N(C(=O)CCl)c1ccccc1 Tox21_201734 -NCGC00259245-01 196708983 tox21-ror-cho-viability-p1 set2 -2.1 48.7059135522 -96.8568510727 0.7941648699 -96.0626862028 1.78848746 0.9829129901 1.91E-8 -0.73527561 2.27847268 1.63085006 -0.20838728 -1.03027464 1.9837312 0.11126769 0.80023181 -1.11304128 2.76843751 1.67707966 1.22263886 -20.30341945 -36.08887906 -74.28991379 1.183E-9 2.645E-9 5.913E-9 1.322E-8 2.9569999999E-8 6.611E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.0000082639999999 0.00001848 0.00004132 0.0000924 5131-60-2 21209 144208894 A B 4-Chloro-1,3-diaminobenzene Nc1ccc(Cl)c(N)c1 Tox21_201696 -NCGC00163815-04 196708169 tox21-ror-cho-viability-p1 set1 -2.2 58.1036241395 -53.1154351561 0.938045153 -52.1773900031 2.0437424601 0.9496875964 0.000008713 -0.82533034 -0.42044301 1.3048164 -2.38001191 0.09356294 0.56798888 3.72784317 6.09122271 -0.52843323 0.71761444 2.65666618 2.07641262 -7.90566928 -14.64857771 -39.52832576 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.00009723 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00256366-01 196707762 tox21-ror-cho-viability-p1 set1 -2.4 34.3762428541 -35.268825532 -2.5 -37.768825532 0.7999999999 0.79452966 0.0089025228 -1.52994951 -0.68043151 -4.41266567 -0.0035896 -10.71556059 0.70238153 0.73421693 -5.03259748 -6.43564727 -0.34119204 -15.51445102 -9.50111099 -13.09549494 -20.13928274 -28.55735461 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 95-33-0 7232 144213241 A F N-Cyclohexyl-2-benzothiazolesulfenamide c1cccc2sc(nc12)SNC3CCCCC3 Tox21_302924 -NCGC00257506-01 196707763 tox21-ror-cho-viability-p1 set1 4 -1.2211179 -2.20343557 0.41373278 -1.33185419 -0.43531658 0.69914942 5.28633154 -1.33032677 -1.3012274 -1.47008977 0.28174996 -1.31926066 0.89018793 1.95055357 0 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-70-6 8129 144213780 B A 1-Heptanol CCCCCCCO Tox21_303470 -NCGC00256607-01 196708163 tox21-ror-cho-viability-p1 set1 4 2.48972289 1.11037781 0.7441473 1.10023014 0.09277821 -0.96068301 1.00462549 2.15570147 -0.33520167 0.8525288 0.96428194 2.47760173 4.213528 0.40515077 0.73017738 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 106-93-4 7839 144213196 FC 1,2-Dibromoethane BrCCBr Tox21_302879 -NCGC00254321-01 196720141 tox21-ror-cho-viability-p1 set3 1.4 0.0034376243 19.439839052 -19.939839052 -0.5 0.6 0.7746451591 0.0130793295 -12.49812302 -15.78319921 -3.81242146 -5.34463356 -6.40543894 -5.21634136 -1.52849897 -0.42951061 -2.94109653 -4.10548033 -0.65647366 -0.19046802 0.09932976 0.90448183 0.39626359 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69-74-9 6252 144210806 A A Cytarabine hydrochloride Cl.NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O Tox21_300488 -NCGC00254041-01 196719712 tox21-ror-cho-viability-p1 set3 -2.2 54.4826732819 -35.2048271119 -4.653008152 -39.8578352639 2.3331733767 0.8187180604 0.0052431671 -3.95447551 -9.02772604 -9.97662482 -6.00589836 -0.81664384 -8.92428037 -6.48720249 -1.44277987 -7.4458142 -7.87164878 -7.83504123 -0.54417346 -4.04515625 -17.45933925 -31.96486272 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-46-6 6643 144210408 Ac Ac 4-(2-Methylbutan-2-yl)phenol Oc1ccc(cc1)C(C)(C)CC Tox21_300088 -NCGC00091210-02 196719719 tox21-ror-cho-viability-p1 set3 4 0.0019331182 19.2228190641 -24.928166056 -5.7053469919 0.3 0.4272026906 0.2644420528 -13.35272535 -19.94013838 -12.78494669 -10.3891187 -13.0644389 -10.95359528 -8.85543614 -8.30594921 -8.1373347 -5.96870311 -3.08778916 -9.96031252 -9.20603914 -12.84219343 -13.97009416 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00254861-01 196720136 tox21-ror-cho-viability-p1 set3 4 0.0211316824 15.4159050041 -16.04757442 -0.6316694159 0.4 0.6539469658 0.0620792005 -13.0270815 -16.28964535 -7.94947369 -4.68356626 -10.51077342 -14.23815714 -4.05432037 -6.14405974 -4.50009046 -0.52639118 -2.3934378 -1.05539048 -4.15500331 -1.5058724 -2.00735662 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 116714-46-6 93541 144211276 A A Novaluron Clc1cc(ccc1OC(F)(F)C(F)OC(F)(F)F)NC(=O)NC(=O)c2c(F)cccc2F Tox21_300959 -NCGC00254261-01 196720145 tox21-ror-cho-viability-p1 set3 4 0.0021689943 19.4608094799 -20.4608094799 -1 0.9999999999 0.6346210939 0.0738593741 -15.3840079 -9.37675048 -5.5404535 0.83237971 -4.66996689 -4.13081737 -0.16297201 -5.72213612 -6.00700545 -0.41083175 -1.62120904 2.77115508 2.38776549 2.86126902 -2.72859782 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-43-6 6597 144210737 AC Ac Dichloroacetic acid ClC(Cl)C(=O)O Tox21_300419 -NCGC00090776-02 196720546 tox21-ror-cho-viability-p1 set3 4 -8.45943204 -12.91787906 -0.54693968 -1.40565522 -3.92385745 -6.98660112 -1.28178455 -2.21632638 -2.16591405 -1.23372754 1.8859943 -5.87656608 2.5176289 -6.01773366 -15.57771861 1.164E-9 2.6039999999E-9 5.822E-9 1.302E-8 2.911E-8 6.509E-8 1.4549999999E-7 3.255E-7 7.2769999999E-7 0.0000016269999999 0.000003639 0.000008136 0.00001819 0.00004068 0.000090969999999 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00254684-01 196720548 tox21-ror-cho-viability-p1 set3 4 61.130564862 -17.4598152519 2.5 -14.9598152519 4.5044702849 0.3850413665 0.2863420285 -1.49171211 -5.75525138 13.22671258 3.89065954 0.22060416 8.32215329 -4.8089333 2.23907532 -1.79201845 3.81066182 4.00044265 3.55189662 6.60761855 -0.17656249 -12.46651271 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102121-60-8 2126 144211097 A A AM580 O=C(O)c1ccc(cc1)NC(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C Tox21_300780 -NCGC00255034-01 196720550 tox21-ror-cho-viability-p1 set3 4 43.2771256911 -16.386494804 3 -13.386494804 3.0654483358 0.4296589143 0.2435949869 4.20316973 -3.976417 5.42983254 -5.43369259 5.77044227 6.46198786 10.779838 -2.08829557 -3.98223605 7.13437761 7.16358615 6.11498915 0.72753586 -4.34189908 -11.98874567 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88671-89-0 6336 144211452 A A Myclobutanil Clc1ccc(cc1)C(CCCC)(Cn2cncn2)C#N Tox21_301135 -NCGC00094810-04 196717234 tox21-ror-cho-viability-p1 set2 4 -1.0076512 4.7009106 -2.15529233 -5.27608676 -3.10801905 -0.65276007 -2.80797209 -1.73359194 -0.26606783 -0.9474951 -0.42072634 -1.65304704 -0.78125424 3.79013662 0.01939337 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2610-86-8 23706212 170464790 A Warfarin sodium [K+].CC(=O)CC(C1=C([O-])c2ccccc2OC1=O)c3ccccc3 Tox21_111637_1 -NCGC00263539-01 196716808 tox21-ror-cho-viability-p1 set2 4 13.3331902297 -20.657064132 2 -18.657064132 1.4780888099 0.8978490061 0.0003607627 2.30056403 1.49931334 1.21527839 4.18250684 1.03971627 2.97278158 5.57723085 3.33219003 -0.37812254 -2.28838258 2.35018832 -2.58422741 -3.93037206 -10.79357012 -17.21422011 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 146939-27-7 60854 170465342 A Ziprasidone O=C4Cc5cc(CCN1CCN(CC1)c3nsc2ccccc23)c(Cl)cc5N4 Tox21_112194_1 -NCGC00183850-01 196716818 tox21-ror-cho-viability-p1 set2 4 2.9849294812 -5.6665537759 5.5 -0.1665537759 2.3031167061 0.4952551472 0.2028596975 3.8604573 1.9771328 4.40224037 6.17134066 5.923696 9.04061148 6.48654112 5.98036889 2.09929352 7.53720804 2.8070372 2.91569036 -1.80546148 0.95321848 3.20549655 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_48792 10133071 144206820 I I {4-[4-(Acetylamino)-2-oxopyrimidin-1(2H)-yl]-1,3-dioxolan-2-yl}methyl benzoate O=C(OCC1OCC(O1)N2C=CC(NC(C)=O)=NC2=O)c3ccccc3 Tox21_113269 -NCGC00258037-01 196729272 tox21-ror-cho-viability-p1 set3 4 -1.30546223 -1.13528466 -0.82556219 -2.26988359 -1.01994019 -1.76439734 -0.08811967 -1.45539905 -0.98758219 -1.04519761 -1.27650737 0.22669785 -1.44571329 -1.09610223 2.03060245 1.206E-9 2.697E-9 6.0309999999E-9 1.349E-8 3.016E-8 6.743E-8 1.5079999999E-7 3.371E-7 7.539E-7 0.0000016859999999 0.000003769 0.000008429 0.00001885 0.00004214 0.000094239999999 7664-93-9 1118 144207681 Sulfuric acid O=S(=O)(O)O Tox21_200483 -NCGC00255796-01 196728851 tox21-ror-cho-viability-p1 set3 -1.1 1.5355303643 -119.9761520675 -0.6452820071 -120.6214340746 1.9673362061 0.989119625 1.4E-9 -8.34021223 -4.08670595 -1.16175862 -0.18440478 -1.62881363 -0.08688084 4.18949246 -4.46564172 -14.69398924 -77.14104344 -100.24715218 -107.31696412 -118.90554942 -124.86690898 -122.34374633 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7774-29-0 181518 144211912 Mercury(II) iodide [Hg+2].[I-].[I-] Tox21_301595 -NCGC00258403-01 196729257 tox21-ror-cho-viability-p1 set3 4 48.2616000528 10.5332136 -3.5332136 7 0.5 0.5865759546 0.1094737091 -1.70107082 -2.9390999 -3.17797963 -6.25382064 -6.277678 -1.07263326 -2.75423628 -0.86623657 -2.38219781 -0.06909769 -3.00941392 -0.66457002 0.58736299 -0.09135641 4.3804198 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 0.000091709999999 108-86-1 7961 144208047 AC Ac Bromobenzene Brc1ccccc1 Tox21_200849 -NCGC00258710-01 196729274 tox21-ror-cho-viability-p1 set3 -1.2 3.8335551575 -37.7802578163 -0.5 -38.2802578163 1.331 0.9270741697 0.000063732 0.66831188 0.66011955 1.49899103 -0.47327757 0.46872868 -0.41109422 -1.30747564 -9.77305264 -8.70629231 -0.14258018 -21.80827355 -29.939696 -37.52401414 -36.27292908 -32.07890913 1.1739999999E-9 2.626E-9 5.871E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.282E-7 7.339E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.000091739999999 66-81-9 6197 144208356 A A Cycloheximide O=C2CC(C[C@@H](O)[C@@H]1C[C@@H](C)C[C@H](C)C1=O)CC(=O)N2 Tox21_201158 -NCGC00091532-04 196730087 tox21-ror-cho-viability-p1 set3 -2.2 27.6395842712 -46.4523774344 0.0142087209 -46.4381687135 1.752947691 0.8404027345 0.0029786229 1.52590097 1.22947296 1.25579312 6.14275423 -0.19141874 0.52917808 0.04079124 0.12241693 6.48482038 -17.2382419 0 -2.28457221 -19.65161643 -24.20560091 -48.37309241 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00258573-01 196730092 tox21-ror-cho-viability-p1 set3 4 0.60113729 0.37691065 0.56364291 3.95713905 3.88207544 3.44696213 4.39592248 4.41369105 3.45904091 7.74211473 3.01968694 0.79309407 2.52244298 3.49827221 0.81256713 1.173E-9 2.6229999999E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.557E-8 1.466E-7 3.2779999999E-7 7.3309999999E-7 0.0000016389999999 0.000003665 0.0000081959999999 0.00001833 0.00004098 0.000091629999999 552-16-9 11087 144208218 A A 2-Nitrobenzoic acid O=[N+]([O-])c1ccccc1C(=O)O Tox21_201020 -NCGC00258338-01 196730504 tox21-ror-cho-viability-p1 set3 4 -0.72522226 -4.4463126 -7.1039167 0.56428978 0.33549331 0.73856369 0.09454131 -1.08884244 0.08588032 2.54083477 0.02459926 -0.12726604 0.37068769 1.82756925 0.22268554 1.203E-9 2.69E-9 6.0159999999E-9 1.345E-8 3.0079999999E-8 6.726E-8 1.504E-7 3.3629999999E-7 7.52E-7 0.0000016809999999 0.0000037599999999 0.000008407 0.0000188 0.00004204 0.000094 NOCAS_20326 517277 144207982 Chromic oxide pigment O=[Cr]O[Cr]=O Tox21_200784 -NCGC00090885-03 196730522 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -12.683687876 -0.5 -13.183687876 4.9549173134 0.5923853853 0.1042920039 -2.34626236 0.92814764 -2.73891636 -0.1321029 -2.25593077 -0.7947522 -3.31919851 -0.42030812 -1.62528333 -0.81144444 -0.36860516 -2.31672153 3.61550889 2.19786402 -10.15307323 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00258736-01 196730523 tox21-ror-cho-viability-p1 set3 4 0.0593940548 -17.6909006361 18 0.3090993639 0.7 0.8493052669 0.0023095015 14.54767081 19.77584781 13.07935383 17.4033152 5.24966669 11.72932418 7.62241711 2.09503306 4.96435262 2.37290189 0.3451778 0.99993251 0.13063274 1.90086383 -0.57575053 1.152E-9 2.5769999999E-9 5.7609999999E-9 1.288E-8 2.8809999999E-8 6.442E-8 1.44E-7 3.221E-7 7.2019999999E-7 0.00000161 0.000003601 0.0000080519999999 0.000018 0.00004026 0.00009002 1634-04-4 15413 144208382 FNS Methyl tert-butyl ether CC(C)(C)OC Tox21_201184 -NCGC00014711-14 196726017 tox21-ror-cho-viability-p1 set3 4 -4.54941653 -6.68092017 -2.13745246 -0.63642325 0.92577671 -1.08221431 -0.15573796 -0.77759588 -1.09764482 -2.70738715 -6.31446937 -1.84453266 1.88554642 -0.19182531 -2.55426763 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21256-18-8 4614 170464987 A Oxaprozin OC(=O)CCc1nc(c(o1)c2ccccc2)c3ccccc3 Tox21_110059_1 -NCGC00091532-04 196725998 tox21-ror-cho-viability-p1 set3 -2.2 31.0121236216 -49.7943241427 1.1724236549 -48.6219004878 1.8851180601 0.9131729993 0.0001575018 8.88299701 3.31777454 1.39327487 0.40048103 4.88857353 1.2213689 4.72995611 1.43625286 -1.02535016 -9.67180792 -1.82693387 -6.09288691 -10.68016056 -27.24254401 -47.66852989 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00015269-06 196726006 tox21-ror-cho-viability-p1 set3 4 0.0066824247 7.568595092 -8.568595092 -1 4.9549173134 0.4262604915 0.2644652746 -9.64049591 -8.61883919 -7.42653231 -5.35750245 3.75687268 -1.55095189 3.10525305 4.113278 -7.90942218 -0.58325137 -4.44707836 2.27468617 -5.33182485 -5.1655613 -15.17532727 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68550-75-4 2753 170466220 A Cilostamide CN(C1CCCCC1)C(=O)CCCOc2ccc3NC(=O)C=Cc3c2 Tox21_110119_1 -NCGC00160410-02 196726010 tox21-ror-cho-viability-p1 set3 4 1.48122382 1.95666499 -1.55740561 0.52246211 -12.38260649 -1.47160382 -1.5572485 -10.0604371 -1.44252822 -2.89605571 -0.87021714 -0.22728257 0.31136951 -0.71531291 -0.38384082 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 547-91-1 11043 170466511 A Loretin O=S(=O)(O)c1cc(I)c(O)c2ncccc12 Tox21_111795_1 -NCGC00258780-01 196702479 tox21-ror-cho-viability-p1 set1 4 55.3703687255 9.971407412 0.028592588 10 3.9294729863 0.370832788 0.3018312939 0.20273489 0.02857713 2.74048844 1.54065988 -6.64283951 -1.37337894 4.09576907 -2.29113443 -3.24833652 4.03451153 2.34132884 0.32128313 -4.23021124 2.8532445 8.61815956 1.196E-9 2.6749999999E-9 5.981E-9 1.337E-8 2.9899999999E-8 6.6869999999E-8 1.4949999999E-7 3.3429999999E-7 7.476E-7 0.0000016719999999 0.0000037379999999 0.000008358 0.00001869 0.00004179 0.00009345 1975-50-4 16096 144208426 A A 2-Methyl-3-nitrobenzoic acid Cc1c(cccc1[N+](=O)[O-])C(=O)O Tox21_201228 -NCGC00258754-01 196702060 tox21-ror-cho-viability-p1 set1 4 4.04167825 4.35839577 4.21975132 4.23695047 -1.85090499 -2.23210392 4.21687904 1.49559496 3.93087473 0.89268557 4.87822529 -2.1285586 -2.24137287 -1.99046643 0.56710943 1.1989999999E-9 2.6809999999E-9 5.995E-9 1.3409999999E-8 2.998E-8 6.703E-8 1.4989999999E-7 3.351E-7 7.494E-7 0.000001676 0.000003747 0.000008378 0.00001873 0.00004189 0.00009367 107-15-3 3301 144208400 Ethylenediamine NCCN Tox21_201202 -NCGC00258627-01 196702073 tox21-ror-cho-viability-p1 set1 4 11.43219638 3.9523688 -0.67282755 4.50735165 3.06227377 0.71668389 3.0248859 5.06644746 3.61062743 4.09532946 7.33793995 3.47370412 -5.1409914 2.28201409 5.97533674 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9569999999E-8 6.613E-8 1.479E-7 3.306E-7 7.394E-7 0.0000016529999999 0.000003697 0.000008266 0.00001848 0.00004133 0.00009242 132-20-7 25150753 144208272 A A Pheniramine maleate [O-]C(=O)/C=C\C([O-])=O.C[NH+](C)CCC(c1ccccc1)c2[nH+]cccc2 Tox21_201074 -NCGC00258092-01 196702467 tox21-ror-cho-viability-p1 set1 4 8.81924713 0.02855866 1.29586806 4.95422206 0.5221804 1.72857299 1.70197553 6.25283579 5.60469064 -0.49986876 4.60754469 3.81692343 10.24411457 4.54641725 0.00191918 1.1999999999E-9 2.683E-9 6E-9 1.3419999999E-8 3E-8 6.708E-8 1.5E-7 3.3539999999E-7 7.5E-7 0.000001677 0.0000037499999999 0.000008385 0.00001875 0.00004193 0.00009375 112-44-7 8186 144207736 A Ac Undecanal CCCCCCCCCCC=O Tox21_200538 -NCGC00091261-03 196702483 tox21-ror-cho-viability-p1 set1 4 61.130564862 -23.70370388 2.5 -21.20370388 3.6772481694 0.8797728448 0.0008035304 1.69711167 2.06455244 0.68709741 6.01315812 3.70856461 0.43461493 6.73703609 1.90288546 3.38571819 1.8718511 1.71468188 0.01689846 1.8111889 -1.86965281 -16.8364199 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00258445-01 196702484 tox21-ror-cho-viability-p1 set1 4 4.3233118791 9.301724856 -5.801724856 3.5 2.4063783767 0.6796311148 0.048127319 -4.75975354 -5.29801142 -5.85153415 2.23845945 -9.00143738 -6.20159289 -6.52125738 -7.50597767 -7.4419495 -8.74620256 -0.11452113 0.93609669 2.90046411 3.30835661 3.63323442 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 590-86-3 11552 144208089 F 3-Methylbutanal CC(C)CC=O Tox21_200891 -NCGC00015675-08 196702487 tox21-ror-cho-viability-p1 set1 4 -0.84785528 0.80082874 2.36845143 2.15615218 0.70377867 2.96489221 1.80598326 2.41356942 0.30528189 1.8264244 1.15328915 2.44299891 3.58744777 1.83482188 -0.60467986 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00254266-01 196698773 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -68.9237274544 -6.287596466 -75.2113239204 3.9899729863 0.6275737694 0.0777616946 -36.85197154 -22.21944139 -12.9763001 -3.99237007 -3.01645931 1.51663763 -1.87415886 -4.34192522 -3.12744764 3.62496169 -4.05216656 0.07938172 -3.49863294 -12.36828273 -59.25100297 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-74-9 60196414 144210903 F Chlordane ClC2=C(Cl)C3(Cl)[C@H]1CC(Cl)[C@H](Cl)[C@H]1[C@@]2(Cl)[C@]3(Cl)Cl Tox21_300586 -NCGC00254237-01 196698755 tox21-ror-cho-viability-p1 set1 4 -0.03357911 0.87246086 -1.40925244 -1.93394961 -2.8372322 -3.22964449 -1.77748059 2.01572185 1.50428249 -0.33815037 0.731028 -1.02496236 -3.80015744 -2.28687017 3.65935714 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-50-1 5988 144210728 A Sucrose O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O Tox21_300410 -NCGC00254319-01 196698768 tox21-ror-cho-viability-p1 set1 4 27.3060203028 -13.183254768 -0.5 -13.683254768 4.9549173134 0.6791189746 0.0483019737 -0.47070417 0.5158036 -1.31536196 1.7549295 0.46754742 -2.0161304 0.49884528 0.55433353 2.69990603 -10.30723951 -0.04441568 0.16535769 -1.58788325 -13.48604564 -12.45655222 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-20-2 11813 144210797 A A 2,6-Dinitrotoluene Cc1c(cccc1[N+](=O)[O-])[N+]([O-])=O Tox21_300479 -NCGC00254736-01 196698769 tox21-ror-cho-viability-p1 set1 4 65.6334441516 -23.4469620599 -2 -25.4469620599 1.4641 0.7899731007 0.009845022 -5.30751172 -6.05243759 -3.35066267 -5.1599693 -1.99398745 0.12533521 -1.72438465 -1.75710021 -2.00474087 -2.94617485 -3.48080321 -3.3173448 -5.07057214 -7.23901753 -19.53913505 1.252E-9 2.7989999999E-9 6.258E-9 1.399E-8 3.129E-8 6.997E-8 1.565E-7 3.499E-7 7.823E-7 0.000001749 0.000003912 0.000008746 0.00001956 0.000043729999999 0.00009779 68169-03-9 3058839 144211149 A Fc (Dicyclopentadienyloxy)ethyl methacrylate C=C(C)C(=O)OCCOC3CC1CC3C2C=CCC12 Tox21_300832 -NCGC00255011-01 196699180 tox21-ror-cho-viability-p1 set1 4 -0.25990516 2.92907662 -0.97686717 2.50734098 2.72658249 1.7229669 -0.15095734 2.16820778 3.73144308 0.31465697 -0.90887558 1.73314002 0.12014723 3.66942112 2.17189866 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 314-40-9 9411 144211428 A A Bromacil CCC(C)N1C(=O)C(Br)=C(C)NC1=O Tox21_301111 -NCGC00256230-01 196710214 tox21-ror-cho-viability-p1 set2 4 2.74711086 -1.58603129 1.01545153 4.45580442 2.46705371 3.29399711 1.17179774 3.4051665 -0.80782927 0.13288169 1.81576991 -1.42798101 2.7512538 3.93305399 -0.21420179 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4674-50-4 1268142 144212702 A A Nootkatone C=C(C)[C@@H]1CCC2=CC(=O)C[C@@H](C)[C@]2(C)C1 Tox21_302385 -NCGC00090858-02 196709805 tox21-ror-cho-viability-p1 set2 4 -5.67225009 -3.47427528 -1.2912145 -3.77762387 -0.67040431 -2.06104955 -8.69839969 -8.47168126 0.77191416 -1.8001056 -2.36650719 -2.17243877 -4.977764 -3.82135095 -5.68730921 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00255349-01 196709814 tox21-ror-cho-viability-p1 set2 -1.2 9.6885416101 -28.208132648 -1 -29.208132648 2.9022712143 0.974947728 1.74E-7 -0.22216406 -0.2175948 1.13834679 -3.41119046 -1.90835653 1.61450459 -1.21950711 -2.33229128 -2.90494323 -2.17829821 0.67518802 -13.94637669 -24.22601591 -28.268908 -30.59011054 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 481-72-1 10207 144212717 A A Aloe-emodin Oc3cccc2C(=O)c1cc(cc(O)c1C(=O)c23)CO Tox21_302400 -NCGC00255134-01 196709817 tox21-ror-cho-viability-p1 set2 4 0.0017228934 7.957002324 -6.957002324 1 4.0949729863 0.3755912005 0.2998007812 -5.38083527 -0.05014114 -0.12655852 0.11965908 4.85684187 0.05929103 2.54522781 2.00174709 3.75595265 2.92421036 1.67746842 -4.65587137 0.919812 2.29431699 -0.54387894 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 786-19-6 13081 144211743 A A Carbophenothion Clc1ccc(SCSP(=S)(OCC)OCC)cc1 Tox21_301426 -NCGC00256254-01 196710219 tox21-ror-cho-viability-p1 set2 4 61.130564862 -15.1542384759 2.5 -12.6542384759 4.5044702849 0.7242128481 0.0285214674 3.97322908 4.9695187 2.78538397 3.14946299 6.79603503 4.50442799 0.98030308 -1.00409146 0.15764542 2.24243829 1.18703552 0.07628563 1.36995603 0.32572655 -10.54519873 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6928-67-2 81346 144211818 A A Dipropyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate Clc1c(c(c(Cl)c(Cl)c1Cl)C(=O)OCCC)C(=O)OCCC Tox21_301501 -NCGC00255459-01 196710233 tox21-ror-cho-viability-p1 set2 4 -6.77245966 1.23049933 -3.03030002 -2.63036059 1.01077617 -3.29959317 -4.0079037 1.32692448 -2.062196 -1.48996453 -2.87068825 -3.1978148 -1.70444192 -4.07863593 -2.08316924 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5394-36-5 82162 144212304 A A 5-Ethyl-5-methylhydantoin O=C1NC(=O)NC1(C)CC Tox21_301987 -NCGC00255131-01 196709831 tox21-ror-cho-viability-p1 set2 4 -5.51989542 -0.05776558 -3.0564642 -0.71630808 -0.52148182 -1.04534511 -1.38743974 -3.66618558 0.12506753 0.05470205 -0.01250564 -7.84838071 -2.39621022 -1.81421796 -5.59534446 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24544-04-5 32484 144212462 A Fc 2,6-Diisopropylaniline CC(C)c1cccc(C(C)C)c1N Tox21_302145 -NCGC00259859-01 196709006 tox21-ror-cho-viability-p1 set2 4 43.7176041855 -13.5304301039 2.5 -11.0304301039 3.1319983358 0.7457721577 0.0210515655 6.46896802 2.03780734 2.87701687 4.82972723 -0.38161848 -0.50736696 -0.01219731 0.38092465 2.19722973 4.22298283 2.02982169 2.35493584 3.30904963 -3.71729596 -10.02535842 1.19E-9 2.6619999999E-9 5.9519999999E-9 1.331E-8 2.976E-8 6.655E-8 1.4879999999E-7 3.3269999999E-7 7.44E-7 0.0000016639999999 0.00000372 0.000008319 0.0000186 0.00004159 0.000093 1470-79-7 73852 144209508 A A 2,4,4'-Trihydroxybenzophenone O=C(c1ccc(O)cc1O)c2ccc(O)cc2 Tox21_202310 -NCGC00015060-14 196709011 tox21-ror-cho-viability-p1 set2 2.4 60.7577547203 28.1486591119 -0.6486591119 27.5 3.9899729863 0.9434533942 0.0000165506 0.24941281 -2.15882117 1.33209733 -2.89080882 1.9473071 -1.24367173 -3.04054926 0.53120588 -1.18169775 -2.71489173 -0.22406979 -0.33508904 -1.53214697 4.67444554 23.01527739 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00259830-01 196709426 tox21-ror-cho-viability-p1 set2 4 0.54676175 -2.45753816 -0.23181823 -2.38059908 -0.17699412 -0.59070298 -1.0532901 -0.83385751 4.88098656 0.81322761 -0.39727796 -2.33590085 1.82019361 -0.63902834 -0.08053445 1.188E-9 2.657E-9 5.941E-9 1.3289999999E-8 2.971E-8 6.6429999999E-8 1.4849999999E-7 3.321E-7 7.427E-7 0.0000016609999999 0.000003713 0.000008303 0.00001857 0.00004152 0.000092829999999 79-39-0 6595 144209479 A A Methacrylamide C=C(C)C(N)=O Tox21_202281 -NCGC00255360-01 196709843 tox21-ror-cho-viability-p1 set2 4 5.2083756 5.11522787 4.471598 -0.89141879 2.6455872 3.07567417 1.49418208 2.90619932 -0.61132603 4.22073809 2.77230433 1.61357527 -0.97495343 2.98552637 6.73433539 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 150-69-6 9013 144211657 A A Dulcin CCOc1ccc(cc1)NC(N)=O Tox21_301340 -NCGC00163735-04 196709848 tox21-ror-cho-viability-p1 set2 4 -8.8354553 0.73810105 -0.54008725 0.13593114 0.65768019 -0.22088812 -4.91430484 -3.28474825 -0.42182341 -0.12919303 -5.60342488 -4.01309839 -7.48287984 -7.38390419 -8.25106707 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00167509-02 196722573 tox21-ror-cho-viability-p1 set3 4 4.2163249602 -16.137524532 -2.56960628 -18.707130812 0.3 0.4418354744 0.2505562476 -6.21079536 -9.32728097 -6.34426318 -1.01088436 -5.31567776 -6.80767744 -4.89266071 -0.4746719 -6.21570642 -11.7965551 -9.6938415 -10.97846564 -13.92260901 -12.13572443 2.49664684 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23182-46-9 168088 170465967 A Pipethanate ethylbromide [Br-].CC[N+]3(CCOC(=O)C(O)(c1ccccc1)c2ccccc2)CCCCC3 Tox21_112507_1 -NCGC00259444-01 196722173 tox21-ror-cho-viability-p1 set3 4 -5.86450819 -1.73235358 -5.82203023 0.84617552 -3.97411129 -10.4991046 -1.00593998 -12.28581808 -2.89406039 -3.15124858 -7.76655618 -13.48127846 -6.49420072 -4.33453852 -1.59680899 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.9479999999E-8 6.591E-8 1.474E-7 3.295E-7 7.369E-7 0.000001648 0.000003684 0.000008239 0.00001842 0.00004119 0.00009211 90-72-2 7026 144209093 A Fns 2,4,6-Tris(dimethylaminomethyl)phenol Oc1c(cc(cc1CN(C)C)CN(C)C)CN(C)C Tox21_201895 -NCGC00166141-06 196722565 tox21-ror-cho-viability-p1 set3 4 15.37575655 3.43102787 3.33252891 5.80280559 9.48677032 4.14992401 -2.39477704 -1.70849643 1.51524055 -1.17428282 1.95834071 5.10507885 5.0949679 6.39748563 24.87385678 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3505-38-2 5282409 170465237 A Carbinoxamine maleate O=C(O)/C=C\C(=O)O.Clc1ccc(cc1)C(OCCN(C)C)c2ccccn2 Tox21_112336_1 -NCGC00091380-04 196722564 tox21-ror-cho-viability-p1 set3 4 1.5180125 -2.19805607 -9.26920094 0.85107966 0 0 -2.45595804 -1.81147044 3.36492577 -2.75117279 0.8042131 2.53581496 -2.92705736 -3.45978953 4.74269947 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00256455-01 196718466 tox21-ror-cho-viability-p1 set2 4 2.25225037 2.00595806 0.54491129 0.19909122 -0.74658929 2.60378292 -0.21646358 -8.30467946 -3.03233066 2.6468966 -1.18559671 2.61351457 2.28372969 2.63954579 1.82494092 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 513-37-1 10555 144213175 Fns 2,2-Dimethylvinyl chloride C/C(C)=C\Cl Tox21_302858 -NCGC00090731-08 196718062 tox21-ror-cho-viability-p1 set2 4 -0.52206221 1.55116976 1.64246535 1.64987638 4.97987991 4.02562471 4.84939379 0.08671572 5.53059412 1.18338326 7.34928983 0.62661709 0.5965533 2.53108523 -0.7001545 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122-99-6 31236 170465671 F 2-Phenoxyethanol OCCOc1ccccc1 Tox21_111002_1 -NCGC00256823-01 196718464 tox21-ror-cho-viability-p1 set2 4 2.61110226 3.44004782 -1.62088615 2.40825882 -0.11769039 2.01152072 -1.57809864 5.40349694 2.95948968 -0.30293831 4.66303703 6.65984183 1.09671719 0.98775534 -1.13549986 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-05-9 7632 144212948 A A 2-Methyl-4-phenylbutan-2-ol CC(C)(O)CCc1ccccc1 Tox21_302631 -NCGC00257189-01 196718465 tox21-ror-cho-viability-p1 set2 4 38.5707788719 -7.388831356 3.5 -3.888831356 2.7202212143 0.4294395447 0.247629836 0.03694319 2.39226655 2.93393809 3.90866477 -0.49721705 2.04311529 2.66137717 6.12137811 6.16740438 2.24969032 7.35454681 4.52701925 3.35888746 -1.09197664 -2.82402613 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-01-2 7592 144213596 A B Acetoacetanilide O=C(Nc1ccccc1)CC(C)=O Tox21_303279 -NCGC00257197-01 196718476 tox21-ror-cho-viability-p1 set2 4 -0.55350811 3.69965452 0.06766667 -3.98678348 -0.39901435 4.02373113 -1.12237959 1.00716543 -0.78321405 4.76013559 4.47297389 -3.6508772 -0.67223815 -1.26806757 -2.29981796 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79277-27-3 73674 144213405 A Thifensulfuron-methyl O=S(=O)(NC(=O)Nc1nc(C)nc(OC)n1)c2ccsc2C(=O)OC Tox21_303088 -NCGC00163818-04 196718873 tox21-ror-cho-viability-p1 set2 4 13.0077811589 -19.2452734319 -1.078638832 -20.3239122639 0.8999999999 0.9013229013 0.0003032801 -0.18053886 -0.81492219 -0.5446024 -2.34525639 -0.74362098 -0.36232719 -0.06553236 -0.07590163 -5.6538981 -7.85068906 -1.58665692 -9.15567265 -13.03931341 -15.86759778 -18.60326022 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00257183-01 196718875 tox21-ror-cho-viability-p1 set2 -2.4 27.3060203028 -26.1060020919 1 -25.1060020919 3.0654483358 0.8950330514 0.000732626 -1.89508629 0.78160301 -0.16168228 2.12264351 0.40179334 0.60115125 1.74537773 3.95050102 3.3733894 0.15385245 2.47501877 -4.13449957 -4.27512818 -20.92166841 -1.60417703 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13048-33-4 25644 144213485 A A 1,6-Hexanediol diacrylate C=CC(=O)OCCCCCCOC(=O)C=C Tox21_303168 -NCGC00256973-01 196718880 tox21-ror-cho-viability-p1 set2 4 -4.38769032 -1.74725521 0.66331564 -24.58256957 -0.12913768 -11.2194953 -4.69421458 -4.44899929 0.43978673 0.65603425 0.08329216 -1.57728756 -2.11647507 -2.12116261 0.62780344 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 156-60-5 638186 144213447 Fns (E)-1,2-Dichloroethylene Cl\C=C\Cl Tox21_303130 -NCGC00256389-01 196718886 tox21-ror-cho-viability-p1 set2 4 0.8317492 -5.56780652 -2.20234675 0.40960518 -8.16839189 -1.18578345 -3.32192068 -3.2843174 1.08091617 1.89974898 1.53175002 -2.04639992 -4.95573122 1.43576423 -1.72918658 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 504-88-1 1678 144213324 A A 3-Nitropropionic acid [O-][N+](=O)CCC(=O)O Tox21_303007 -NCGC00256089-01 196728089 tox21-ror-cho-viability-p1 set3 1.4 0.0015355304 18.00721134 -16.50721134 1.5 4.9549173134 0.8249770051 0.0045547002 -13.75600945 2.22162329 3.27290303 0.30206973 2.35419164 2.44783591 3.35008312 1.72692398 1.43819504 2.11104439 3.62677203 -2.27071147 0.16663358 0.57365412 -1.44420929 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-12-8 1549025 144212291 A Ac cis-3,7-Dimethyl-2,6-octadien-1-yl acetate C\C(C)=C\CCC(\C)=C/COC(C)=O Tox21_301974 -NCGC00255801-01 196728499 tox21-ror-cho-viability-p1 set3 4 -1.35791042 4.10789064 0.40620706 1.36115235 1.13372277 1.50222093 -0.41154763 3.82598413 4.29710977 2.51997428 0.28774957 -0.52804704 -2.54472839 0.54251119 -2.94701861 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16489-90-0 86013 144211546 A A 6-Ethoxy-2,3,4-trimethyl-1,2,3,4-tetrahydroquinoline CCOc1ccc2NC(C)(C)CC(C)c2c1 Tox21_301229 -NCGC00256250-01 196728099 tox21-ror-cho-viability-p1 set3 4 1.69033361 8.96110142 4.24945471 0.09568568 -2.08993559 11.41201135 2.71829349 3.8613313 1.24415584 8.85970126 1.62787829 -4.55351509 7.03842603 7.40469329 4.79274593 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 562-74-3 11230 144212102 B A 4-Methyl-1-(propan-2-yl)cyclohex-3-en-1-ol CC(C)C1(O)CC=C(C)CC1 Tox21_301785 -NCGC00255906-01 196728497 tox21-ror-cho-viability-p1 set3 -1.1 0.3063785869 -95.01365557 0 -95.01365557 4.9549173134 0.9779968224 8.23E-8 0.05965817 1.1341161 -0.68260588 -0.0451737 -2.42399502 -1.54086564 2.55316447 -57.36553832 -101.51031578 -93.73638004 -71.83988147 -100.49673671 -98.72088276 -99.56120622 -97.78473557 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 379-52-2 9786 144212558 A Triphenyltin fluoride F[Sn](c1ccccc1)(c2ccccc2)c3ccccc3 Tox21_302241 -NCGC00255310-01 196728925 tox21-ror-cho-viability-p1 set3 -2.1 51.0222082123 -123.9307803562 0.5338097456 -123.3969706106 3.2474983358 0.9888135208 1.6E-9 1.41515108 6.92621239 -1.79633133 -1.80705276 -2.40556386 0.43746944 -2.67966179 5.47220994 -2.4037292 1.03896339 1.01626086 1.9212258 -2.33153462 -27.06889026 -99.83573674 1.015E-9 2.269E-9 5.073E-9 1.134E-8 2.536E-8 5.6719999999E-8 1.268E-7 2.836E-7 6.341E-7 0.0000014179999999 0.000003171 0.000007089 0.00001585 0.00003545 0.00007926 89778-27-8 3005572 144212057 A A Toremifene citrate O=C(O)C(O)(CC(=O)O)CC(=O)O.CN(C)CCOc1ccc(cc1)/C(c2ccccc2)=C(/CCCl)c3ccccc3 Tox21_301740 -NCGC00257740-01 196729336 tox21-ror-cho-viability-p1 set3 4 30.3265518896 12.059317768 -5.059317768 7 0.7999999999 0.7343162856 0.0250373271 -6.71609814 -4.91006699 -3.55882412 -4.90001782 -6.53153701 -2.40203777 -2.87767343 -6.15463584 -5.85631441 -5.07272141 -2.47154345 1.05628072 -2.48166018 0.83542232 4.92255145 1.1699999999E-9 2.6159999999E-9 5.85E-9 1.3079999999E-8 2.925E-8 6.54E-8 1.462E-7 3.27E-7 7.3119999999E-7 0.000001635 0.000003656 0.000008176 0.00001828 0.00004088 0.00009141 25013-15-4 7529 144207384 AC F Vinyltoluene Cc1cccc(C=C)c1 Tox21_200186 -NCGC00163927-04 196729343 tox21-ror-cho-viability-p1 set3 4 0.78682691 -0.4557133 -0.55227248 0.1592465 -0.38616669 1.5683903 0.55065084 -7.00642916 -6.49963607 0.27368951 1.23174515 -0.35015004 1.15858622 0.53983527 2.16235051 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00257595-01 196729348 tox21-ror-cho-viability-p1 set3 4 0.2413865869 14.6419392 -16.1419392 -1.5 4.9549173134 0.6294363036 0.0766914952 -1.06707306 -13.39290615 -22.201616 -21.97636827 -21.55016456 -12.27069693 -21.20837768 0 0 -2.29357986 -1.0850342 0 -7.82286429 -2.39232056 1.34979027 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.551E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.000003662 0.0000081889999999 0.00001831 0.00004095 0.00009156 78-93-3 6569 144207239 FNS Methyl ethyl ketone CC(=O)CC Tox21_200041 -NCGC00258413-01 196729748 tox21-ror-cho-viability-p1 set3 4 4.42218219 1.65034897 -1.89804769 -3.55286724 -3.17655761 5.25046367 1.07258294 0.4166323 3.86112793 5.17815559 1.17032622 1.55882142 2.39739763 4.45218778 2.67485913 1.1919999999E-9 2.6659999999E-9 5.96E-9 1.333E-8 2.98E-8 6.664E-8 1.49E-7 3.332E-7 7.45E-7 0.0000016659999999 0.000003725 0.00000833 0.00001863 0.000041649999999 0.00009313 118-29-6 8354 144208057 AC 2-(Hydroxymethyl)-1H-Isoindole-1,3(2H)-dione O=C2c1ccccc1C(=O)N2CO Tox21_200859 -NCGC00258145-01 196729745 tox21-ror-cho-viability-p1 set3 4 0.2867228201 -7.3209218479 3.5 -3.8209218479 3.1319983358 0.4451189909 0.2464227937 2.23184559 -0.74202291 10.86831922 3.2964356 3.1476534 3.709226 0.79612832 0.7209291 -10.68410154 -1.86107763 -2.41344888 -2.07277232 -8.19042318 2.5122397 1.82459286 1.229E-9 2.7469999999E-9 6.143E-9 1.374E-8 3.071E-8 6.868E-8 1.5359999999E-7 3.4339999999E-7 7.678E-7 0.000001717 0.000003839 0.000008584 0.0000192 0.00004292 0.00009598 344790-87-0 11424151 144207789 A A 1-Butyl-3-methylimidazolium thiocyanate CCCCn1cc[n+](C)c1.[S-]C#N Tox21_200591 -NCGC00258412-01 196729747 tox21-ror-cho-viability-p1 set3 4 -0.73023888 5.33674571 3.27858707 -0.8695604 5.57357253 0.81368732 0.00804052 1.85783432 -2.97558899 0.8118452 2.87454151 1.97694117 2.2079956 4.39614137 0.55145263 1.173E-9 2.6229999999E-9 5.865E-9 1.311E-8 2.9319999999E-8 6.557E-8 1.466E-7 3.2779999999E-7 7.3309999999E-7 0.0000016389999999 0.000003665 0.0000081959999999 0.00001833 0.00004098 0.00009164 4568-28-9 20701 144208056 F Triethanolamine stearate OCC[NH+](CCO)CCO.[O-]C(=O)CCCCCCCCCCCCCCCCC Tox21_200858 -NCGC00258348-01 196729749 tox21-ror-cho-viability-p1 set3 4 1.80744808 2.93128016 0.45108964 0.07634731 3.14315532 2.5427399 3.01455357 2.94884275 2.84352745 -1.10630047 1.92462327 2.12155209 0.16580844 -1.99049337 -1.9762428 1.1989999999E-9 2.6809999999E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.701E-8 1.4979999999E-7 3.351E-7 7.492E-7 0.000001675 0.000003746 0.000008377 0.00001873 0.00004188 0.00009365 96-31-1 7293 144207992 A A N,N'-Dimethylurea CNC(=O)NC Tox21_200794 -NCGC00256252-01 196700848 tox21-ror-cho-viability-p1 set1 4 0.90472957 -0.60037024 0.42800652 1.40090805 1.86052278 0.26599898 0.15753355 2.41429602 1.90037996 3.23048238 1.09829687 -7.22375278 -0.1034174 0.08692121 4.03670503 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 939-48-0 13654 144211813 A A Propan-2-yl benzoate CC(C)OC(=O)c1ccccc1 Tox21_301496 -NCGC00255879-01 196701266 tox21-ror-cho-viability-p1 set1 4 21.6899429044 8.5306452159 -0.5306452159 8 4.9549173134 0.729286048 0.0267426764 -3.37011505 1.06366743 1.18807965 1.74937008 -2.6488144 0.33399315 -3.21074593 0.03582964 -3.77553768 -0.37991251 1.00255638 0.17739264 1.75656114 9.09510527 6.91274369 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-76-5 6321405 144211962 A A Isoborneol C[C@]12CC[C@H](C[C@H]1O)C2(C)C Tox21_301645 -NCGC00258000-01 196701660 tox21-ror-cho-viability-p1 set1 4 1.80449134 2.87789043 0.25830478 7.30018838 -0.98053042 4.90620881 3.59320439 0.45411617 2.34310692 -1.47142669 0.31185215 2.41709338 1.89037108 2.09186064 -0.08782967 1.19E-9 2.6619999999E-9 5.9519999999E-9 1.331E-8 2.976E-8 6.654E-8 1.4879999999E-7 3.3269999999E-7 7.44E-7 0.0000016639999999 0.00000372 0.0000083179999999 0.0000186 0.00004159 0.000093 529-34-0 10724 144207644 A A 1,2,3,4-Tetrahydronaphthalen-1-one O=C2CCCc1ccccc12 Tox21_200446 -NCGC00258634-01 196701664 tox21-ror-cho-viability-p1 set1 4 1.25356023 0.34273336 0.51250223 2.04343702 3.61413885 6.27827681 6.71822304 2.85114272 0.05916724 2.86982179 0.3480943 3.06246818 4.4631371 3.27031616 2.79719861 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 104-93-8 7731 144208279 A Fns 1-Methoxy-4-methylbenzene Cc1ccc(OC)cc1 Tox21_201081 -NCGC00258182-01 196701665 tox21-ror-cho-viability-p1 set1 4 1.7334113137 -15.6750571279 2.5 -13.1750571279 0.3 0.5943481388 0.1161030822 1.3224285 0.55342387 0.21783688 0.83758925 -0.1204782 -3.06845456 -7.56555475 -4.29263512 -4.38310338 2.46662422 -6.67159348 -8.77228935 -10.14588094 -8.12037332 4.66282054 1.1859999999E-9 2.653E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001854 0.00004145 0.00009268 126-33-0 31347 144207826 A A Sulfolane O=S1(=O)CCCC1 Tox21_200628 -NCGC00257621-01 196701668 tox21-ror-cho-viability-p1 set1 4 -6.44072398 -6.19998549 -11.55200933 -11.08603977 -8.88322896 -5.20014249 -11.59046956 -9.95780578 -3.71556213 -9.60262897 -9.18658936 -5.40648432 -10.77651829 -6.45149198 -1.97311207 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.593E-8 1.474E-7 3.297E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009214 78-79-5 6557 144207265 FNS Isoprene C=C(C)C=C Tox21_200067 -NCGC00164449-04 196701669 tox21-ror-cho-viability-p1 set1 4 30.6378586933 7.0392453879 -0.0392453879 7 4.9549173134 0.435236348 0.2409065931 0.23335561 1.07146099 0.3404337 4.74269018 0.99442407 0.95975834 1.44921269 -7.53270449 0.29320866 0.27651802 -0.34764773 0.51192511 -0.32262666 5.8249473 6.93131475 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00258222-01 196701676 tox21-ror-cho-viability-p1 set1 4 -12.46268707 -1.57355987 -8.32152489 -7.75992232 -10.56205084 -7.00881022 -9.65818402 -8.59942144 -9.57676712 -4.59330908 -10.97598769 -10.44211409 -10.81620256 -9.19613374 -16.90345548 1.172E-9 2.621E-9 5.8609999999E-9 1.311E-8 2.9299999999E-8 6.553E-8 1.465E-7 3.276E-7 7.326E-7 0.0000016379999999 0.0000036629999999 0.000008191 0.00001832 0.00004095 0.00009158 101-90-6 7586 144207866 Ac Bc Diglycidyl resorcinol ether c1ccc(cc1OCC2CO2)OCC3CO3 Tox21_200668 -NCGC00257889-01 196701684 tox21-ror-cho-viability-p1 set1 4 -5.64306909 -6.82823685 -6.23593961 -9.09204656 -10.42877025 -10.44771612 -13.95212798 -12.77159714 -4.45127275 -11.43880058 -13.50980014 -10.94084536 -13.94801332 -9.36754439 -8.03318981 1.166E-9 2.606E-9 5.8279999999E-9 1.303E-8 2.9139999999E-8 6.516E-8 1.457E-7 3.2579999999E-7 7.285E-7 0.000001629 0.0000036429999999 0.0000081449999999 0.00001821 0.00004073 0.00009106 591-87-7 11584 144207533 FNS Allyl acetate CC(=O)OCC=C Tox21_200335 -NCGC00258687-01 196702080 tox21-ror-cho-viability-p1 set1 4 -1.44133757 2.03840382 -0.16539711 1.51827338 -1.01130095 -0.62998667 5.30329841 3.21794789 0.94664472 -2.81472731 -0.95816274 3.59441039 5.80860586 0.02846821 -0.52797102 1.289E-9 2.883E-9 6.4469999999E-9 1.442E-8 3.2239999999E-8 7.208E-8 1.612E-7 3.6039999999E-7 8.0589999999E-7 0.000001802 0.000004029 0.00000901 0.00002015 0.00004505 0.0001007 107-12-0 7854 144208333 FNS Propionitrile CCC#N Tox21_201135 -NCGC00258707-01 196702091 tox21-ror-cho-viability-p1 set1 4 5.89118727 4.0741508 1.57114442 3.07333282 4.74760241 0.23322046 2.36233376 5.37044191 5.75090826 1.58322459 3.54919667 0.77202189 8.86244711 4.11816337 -0.33763614 1.212E-9 2.711E-9 6.061E-9 1.3549999999E-8 3.031E-8 6.7769999999E-8 1.515E-7 3.388E-7 7.577E-7 0.0000016939999999 0.0000037879999999 0.0000084709999999 0.00001894 0.000042359999999 0.000094709999999 592-45-0 5365552 144208353 FNS 1,4-Hexadiene C=CC\C=C\C Tox21_201155 -NCGC00090750-04 196702493 tox21-ror-cho-viability-p1 set1 4 31.0121236216 -15.28415294 -1.5 -16.78415294 0.9999999999 0.6591393221 0.0710000037 -1.04654817 -0.17078728 1.35613756 -3.8867787 -1.28304554 0.016104 -4.39188896 -4.15619877 1.05002155 -4.16929934 -4.44147732 -3.86539863 -5.32924364 -12.32012745 -6.53756093 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00254685-01 196699196 tox21-ror-cho-viability-p1 set1 -2.1 28.398931299 -80.5189768038 -1.338049523 -81.8570263268 2.1876167061 0.991604357 3E-10 -4.67398373 0.42808509 -0.42536457 0.61002074 0.34398812 -1.65462298 -1.00254145 -1.0267725 -2.49467117 -4.31381349 -1.63632474 -3.24652678 -9.50227364 -29.87840007 -62.77047449 6.229E-10 1.3929999999E-9 3.1139999999E-9 6.9639999999E-9 1.557E-8 3.482E-8 7.786E-8 1.741E-7 3.8929999999E-7 8.705E-7 0.000001947 0.000004353 0.000009733 0.00002176 0.000048659999999 14233-37-5 61719 144211098 A A 1,4-Bis(N-isopropylamino)anthraquinone CC(C)Nc3ccc(NC(C)C)c2c3C(=O)c1ccccc1C2=O Tox21_300781 -NCGC00357092-01 196711914 tox21-ror-cho-viability-p1 set2 4 -3.48399147 -1.65798365 -1.75149951 -2.54563196 -2.04115238 -0.98415076 -16.83237904 -11.19763624 -1.69978666 -6.628558 -9.45567569 -2.60731046 0 -22.31732122 -6.90260802 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 763-29-1 22468 251919941 Fns 2-Methylpent-1-ene C=C(C)CCCC Tox21_303811 -NCGC00255937-01 196711089 tox21-ror-cho-viability-p1 set2 4 -1.7139061 -3.65323242 0.26602337 -1.32736757 -1.88729826 0.85289456 0.20914645 0.03221586 0.66833577 2.25266616 0.60093825 0.05984652 1.34219274 -1.50345534 -5.26992011 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3567-62-2 19113 144212209 A A N-(3,4-Dichlorophenyl)-N'-methylurea Clc1ccc(NC(=O)NC)cc1Cl Tox21_301892 -NCGC00357273-01 196711494 tox21-ror-cho-viability-p1 set2 4 0.0121971512 6.5 3 9.5 1.4641 0.4314915424 0.2439457608 5.63942148 1.1774192 4.33080485 6.95450132 7.27445488 11.7231465 12.53438688 7.818224 11.35690164 6.37092327 8.58873103 10.83267723 3.36335798 13.30937183 10.09784149 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-86-0 60982 251919823 A 2-Ethoxy-5-(1-propenyl)phenol CCOc1ccc(cc1O)C=CC Tox21_303945 -NCGC00090965-04 196711512 tox21-ror-cho-viability-p1 set2 4 0.5448267328 10.2974866999 -8.7974866999 1.5 4.9549173134 0.6285421463 0.0774675853 -5.01451704 -6.59862483 -7.1809078 -9.87783903 -5.59441977 -16.91457225 -9.43994771 -9.31333559 0 0 -0.6407214 0 0 -1.41445762 11.82934937 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00260067-01 196711916 tox21-ror-cho-viability-p1 set2 -1.4 0.0533936775 -20.8878190721 -4.0335391199 -24.921358192 1.8851180601 0.4351784087 0.2545018188 -4.78586086 -1.40684087 -3.31673176 -15.0201072 -0.5861092 -0.29344067 -27.64473789 -17.88313397 -45.3353912 -32.73347853 -18.80689829 -29.14486514 0 -22.55422069 -1.17263694 5.928E-10 1.3259999999E-9 2.964E-9 6.628E-9 1.482E-8 3.314E-8 7.41E-8 1.6569999999E-7 3.705E-7 8.285E-7 0.0000018529999999 0.000004142 0.000009263 0.00002071 0.00004631 39025-23-5 6450278 144209716 A A Guggulsterone Z C\C=C4/C(=O)C[C@@H]3[C@]4(C)CC[C@H]2[C@H]3CCC1=CC(=O)CC[C@@]12C Tox21_202518 -NCGC00260449-01 196711922 tox21-ror-cho-viability-p1 set2 4 0.87294697 -0.04353912 -3.78188507 -3.71451883 -2.7262398 -0.5723667 -7.69606001 -5.29490001 -6.87387357 -7.38065485 -7.82511329 0 -11.15539667 7.5149729 -8.83278301 1.188E-9 2.657E-9 5.941E-9 1.3279999999E-8 2.9699999999E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016609999999 0.000003713 0.000008303 0.00001856 0.000041509999999 0.00009282 81103-11-9 5284534 144210101 A Clarithromycin CN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]2C(C)[C@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)OC)[C@@H]3O Tox21_202903 -NCGC00357141-01 196711926 tox21-ror-cho-viability-p1 set2 4 76.9588215421 19.036118868 1.963881132 21 0.8999999999 0.6472217609 0.0662850138 1.04460397 -0.86343239 0.05510452 0.62282757 0.50524893 3.22777796 3.10619377 5.91373831 6.40279913 1.37782404 2.6872944 2.50297413 3.96243338 5.66585762 16.9131428 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-08-5 8871 251919869 A 2-Pyridone O=C1C=CC=CN1 Tox21_303883 -NCGC00256021-01 196709874 tox21-ror-cho-viability-p1 set2 4 -2.74305796 -0.90961928 0.10233785 -0.80628584 -1.7106271 0.57807199 0.78848156 0.96353902 1.43128753 5.31556462 0.66389829 0.51983009 0.59911231 5.70874588 4.92259117 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-72-6 66826 144212591 A A Nitarsone O=[N+]([O-])c1ccc(cc1)[As](O)(O)=O Tox21_302274 -NCGC00259067-01 196709456 tox21-ror-cho-viability-p1 set2 4 0.42025012 -2.57899646 -0.85939762 -0.89339358 0.16838345 0.35680759 -0.84968932 -0.25512106 -0.52418016 -0.4777852 -0.98080672 -0.16457957 -0.88380914 -0.66358092 0.58775853 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.476E-7 3.3009999999E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008253 0.00001846 0.00004127 0.000092279999999 142-62-1 8892 144208715 A A Hexanoic acid CCCCCC(=O)O Tox21_201517 -NCGC00255708-01 196709851 tox21-ror-cho-viability-p1 set2 4 12.97937344 -0.91482547 -1.54888321 2.80002298 1.19510885 10.62666203 2.45218707 1.54436357 2.6513824 2.71789187 -0.14547523 0.49759256 3.30543522 0.01252022 12.77706998 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-60-7 7151 144212355 A A Methyl nicotinate COC(=O)c1cccnc1 Tox21_302038 -NCGC00255287-01 196709864 tox21-ror-cho-viability-p1 set2 4 1.81551848 -3.47914435 -2.19734975 -4.05688515 -3.97032979 -3.77227919 0.32128563 2.07525788 -2.23627266 -3.89070335 -1.6959445 -2.16419754 -0.73869504 -2.54954653 2.44696146 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 16079-88-2 61828 144212692 D 1-Bromo-3-chloro-5,5-dimethylhydantoin O=C1N(Cl)C(=O)N(Br)C1(C)C Tox21_302375 -NCGC00255181-01 196710269 tox21-ror-cho-viability-p1 set2 -2.4 9.0516935217 -22.991599604 -3 -25.991599604 3.0654483358 0.8679781542 0.0012452612 -2.89340994 -5.89331295 -3.17266667 -4.69208517 -1.72206443 -1.18416783 -2.30481264 -12.80688359 0.72187749 0.05068089 -2.27209201 -10.78301001 -25.39761386 -28.74299967 -21.75034693 1.115E-9 2.493E-9 5.574E-9 1.246E-8 2.7869999999E-8 6.2319999999E-8 1.394E-7 3.1159999999E-7 6.9679999999E-7 0.000001558 0.000003484 0.00000779 0.00001742 0.00003895 0.000087099999999 134523-00-5 60823 144212734 A A Atorvastatin O[C@H](CCn1c(c(c(c1C(C)C)C(=O)Nc2ccccc2)c3ccccc3)c4ccc(F)cc4)C[C@@H](O)CC(=O)O Tox21_302417 -NCGC00254196-01 196720587 tox21-ror-cho-viability-p1 set3 4 0.0243365162 -6.5278253679 5.5 -1.0278253679 4.9549173134 0.5936462133 0.1025614514 2.98694081 5.6012604 5.17904963 8.11156954 0.24126808 -0.86617591 -1.95012253 1.49800698 -3.76530576 2.17640205 1.71913911 1.1811423 -1.1790092 -3.75888429 -5.85652114 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3296-90-0 18692 144210616 A A 2,2-Bis(bromomethyl)-1,3-propanediol OCC(CBr)(CBr)CO Tox21_300296 -NCGC00255001-01 196720171 tox21-ror-cho-viability-p1 set3 4 3.0637858693 -17.399803812 7 -10.399803812 0.3 0.6485075013 0.0653552359 5.3812881 7.60917272 5.52377024 0.13493123 7.47495014 -0.72859977 0.508791 5.21412729 -3.3271007 -0.78586595 -2.43169056 2.19513105 -4.15227784 -6.99983651 -6.22070409 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50471-44-8 39676 144211418 A Ac Vinclozolin O=C1N(C(=O)OC1(C)C=C)c2cc(Cl)cc(Cl)c2 Tox21_301101 -NCGC00254067-01 196720566 tox21-ror-cho-viability-p1 set3 4 0.086349218 -6.5859227039 5.5 -1.0859227039 4.9549173134 0.3571979434 0.3135044201 -0.48452453 1.72079789 11.12931166 5.32475341 7.99467862 6.61640144 -10.48826892 -6.49320857 0.70094006 3.26685346 1.39515127 0.93071415 1.11919138 -1.1371982 -0.16627009 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 128-39-2 31405 144210411 A A 2,6-Di-tert-butylphenol CC(C)(C)c1cccc(c1O)C(C)(C)C Tox21_300091 -NCGC00255048-01 196720579 tox21-ror-cho-viability-p1 set3 -3 68.1713220381 -78.4453035385 4.9627666559 -73.4825368826 4.9549173134 0.9068117364 0.0002256053 2.39298522 6.06762956 9.20907235 5.23138052 10.10880452 8.86822691 1.76656351 11.63154237 6.93308799 7.01998222 -5.98572903 -5.58328004 2.47069137 3.53573043 -59.11312451 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 97886-45-8 91757 144211467 A A Dithiopyr FC(F)(F)c1nc(c(c(CC(C)C)c1C(=O)SC)C(=O)SC)C(F)F Tox21_301150 -NCGC00254310-01 196720588 tox21-ror-cho-viability-p1 set3 4 0.0077379067 12.651888572 -14.651888572 -2 0.9999999999 0.7759664331 0.0128120166 -12.26486997 -13.87657381 -10.1083156 -4.39845897 -8.73967679 -3.33924123 -1.49267772 -1.40898016 -4.64389406 -2.77524224 1.32726107 -5.23398471 -2.59093892 -3.2084995 -1.92907251 8.8889999999E-10 1.988E-9 4.445E-9 9.938E-9 2.222E-8 4.969E-8 1.111E-7 2.485E-7 5.5559999999E-7 0.000001242 0.000002778 0.0000062119999999 0.000013889999999 0.00003106 0.00006945 126-14-7 31340 144210704 A A Sucrose octaacetate CC(=O)O[C@H]1[C@H](O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)O[C@]2(COC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O Tox21_300386 -NCGC00257299-01 196718487 tox21-ror-cho-viability-p1 set2 4 -4.64937564 -0.08181424 -3.17479169 -1.95912247 -1.62988226 -5.47378839 -3.80476189 -6.55296733 -5.15706513 -5.92433853 -2.25882622 -0.92444032 -3.35049327 0.77959497 -2.0143468 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24468-13-1 62783 144213820 F F Carbonochloridic acid, 2-ethylhexyl ester O=C(Cl)OCC(CCCC)CC Tox21_303512 -NCGC00255123-01 196718084 tox21-ror-cho-viability-p1 set2 -2.2 54.4826732819 -57.5595622452 2.4723233505 -55.0872388947 2.8472712143 0.9701258928 4.746E-7 1.00273597 -0.80743712 3.71802594 2.21979056 -2.11637501 6.02806815 2.16869021 6.1692611 3.40289049 0.62529227 2.1142111 3.13317466 -0.61597612 -15.25749557 -44.38427189 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84-16-2 192197 144211773 A A meso-Hexestrol Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c2ccc(O)cc2 Tox21_301456 -NCGC00257205-01 196718087 tox21-ror-cho-viability-p1 set2 4 6.8589621897 -6.3852427879 1 -5.3852427879 4.9549173134 0.5088637314 0.1720300023 -2.10830845 -1.27786373 -2.40714582 -0.46224353 0.24098373 5.42417031 1.40475558 0.18479954 3.22232103 1.71660155 6.13042825 -5.56433134 -3.21576094 -3.84855632 -7.40436899 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 610-39-9 11883 144213527 A A 3,4-Dinitrotoluene O=[N+]([O-])c1cc(C)ccc1[N+]([O-])=O Tox21_303210 -NCGC00257432-01 196718485 tox21-ror-cho-viability-p1 set2 4 0.27732028 1.95023815 -0.70127017 3.77630045 1.61231351 7.61572995 2.44533389 10.19899066 6.01833499 6.68823225 9.01782852 1.01865842 4.28660284 1.30971115 -1.13883539 1.062E-9 2.374E-9 5.309E-9 1.187E-8 2.654E-8 5.935E-8 1.327E-7 2.968E-7 6.636E-7 0.000001484 0.000003318 0.000007419 0.00001659 0.0000371 0.00008295 1191914-21-2 44555481 144213764 A A PharmaGSID_48521 Cc1ncnc(C)c1C(=O)N2CCC(C)(CC2)N3CCC4(CC3)OC(=O)N(C[C@@H]4CCCC)CC5CCOCC5 Tox21_303454 -NCGC00257291-01 196718496 tox21-ror-cho-viability-p1 set2 4 -1.86039506 -2.70897781 -5.94262595 -3.70983104 -3.68166252 -2.01525253 -3.52075093 0.68664594 -4.04404969 -3.48397825 -2.58620919 0.83721033 0.7138727 -1.16881311 -1.63595233 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.397E-7 7.5949999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004246 0.00009494 138-86-3 22311 144213720 A Fns Limonene CC1=CCC(CC1)C(C)=C Tox21_303409 -NCGC00163930-04 196718497 tox21-ror-cho-viability-p1 set2 4 1.1119204 0.72483319 0.31942832 -0.7921155 1.2518161 4.17468725 -0.17415931 3.67890181 0.06159441 2.22865503 6.91222513 -0.45154387 1.54294922 1.70988621 0.9698669 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.000001648 0.000003684 0.000008238 0.00001842 0.00004119 0.000092099999999 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00090965-04 196729841 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -40.667238996 -2.5 -43.167238996 3.5722481694 0.9443692255 0.0000150987 0.42334869 -0.29426255 -3.0690586 -3.63580812 -0.48606847 -4.41337809 -2.47285183 0.52283931 -5.75000039 -1.56176602 -2.30203271 -2.61267499 -5.41830349 -7.32257006 -32.63936583 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00258633-01 196729425 tox21-ror-cho-viability-p1 set3 4 -0.6028323 0.50968933 -0.42441124 0.11065619 -4.43095583 0.81737993 -0.4498239 -3.58217381 0.19574953 1.69366802 -0.02530752 -0.56588767 -1.42470978 2.49315978 2.30281733 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 574-06-1 95416 144208278 A A Benzoin acetate CC(=O)OC(C(=O)c1ccccc1)c2ccccc2 Tox21_201080 -NCGC00258077-01 196729825 tox21-ror-cho-viability-p1 set3 -2.2 55.8151099252 -63.0056995964 -3.559335076 -66.5650346724 1.331 0.9550070564 0.0000047107 -1.13859253 0.16529419 -3.77096059 -3.64932217 -6.1365264 -0.36437933 -5.14407396 -4.55103821 -5.12540463 -8.07945076 -6.38337014 -6.48130622 -16.42038588 -24.68187378 -50.42805657 1.204E-9 2.693E-9 6.0219999999E-9 1.347E-8 3.011E-8 6.733E-8 1.506E-7 3.367E-7 7.528E-7 0.000001683 0.0000037639999999 0.000008417 0.00001882 0.00004208 0.000094099999999 137-19-9 67299 144207721 A A 4,6-Dichloro-1,3-benzenediol Oc1cc(O)c(Cl)cc1Cl Tox21_200523 -NCGC00015060-14 196729831 tox21-ror-cho-viability-p1 set3 2.4 54.1504058934 23.9969653639 -2.9969653639 21 4.9549173134 0.7385176594 0.0231473713 -2.35814968 -1.71940163 -0.04138716 -1.13842183 -6.1015028 0.90356857 -1.73706471 -0.45093433 -6.4261942 -2.70658797 -12.08080447 0 -7.12593588 1.91686556 19.22275372 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00258217-01 196730252 tox21-ror-cho-viability-p1 set3 4 1.76124968 0.24352699 0.8160704 -1.8380693 -3.67069483 1.53714768 -1.17624713 -3.56601432 -1.96822731 -0.83889661 0.4559405 -2.1714306 8.62719231 -2.69362852 -2.41593962 1.204E-9 2.692E-9 6.02E-9 1.346E-8 3.01E-8 6.73E-8 1.5049999999E-7 3.365E-7 7.5239999999E-7 0.000001683 0.0000037619999999 0.000008413 0.000018809999999 0.00004206 0.00009406 4253-34-3 77929 144207861 D Methylsilanetriyl triacetate O=C(C)O[Si](C)(OC(C)=O)OC(=O)C Tox21_200663 -NCGC00258009-01 196730253 tox21-ror-cho-viability-p1 set3 4 -1.92951923 1.06915672 0.69331219 0.6628465 -0.25302297 0.12463571 0.07359918 0.98253668 -0.55753097 4.58355256 0.50373498 2.65030473 0.07511447 -3.07510835 0.61995553 1.208E-9 2.7009999999E-9 6.04E-9 1.3509999999E-8 3.02E-8 6.753E-8 1.51E-7 3.3769999999E-7 7.551E-7 0.0000016879999999 0.000003775 0.000008442 0.00001888 0.00004221 0.000094379999999 1779-48-2 6327116 144207653 A A Phenylphosphinic acid O=P(O)c1ccccc1 Tox21_200455 -NCGC00255603-01 196700453 tox21-ror-cho-viability-p1 set1 4 19.3311819617 9.7146832999 -0.7146832999 9 0.5 0.5710561694 0.1208558049 0.29988 0.27994043 -3.92890275 0.86417389 1.21682073 0.13611621 -0.90034819 -0.16329088 0.13078154 1.29380289 6.73582184 1.5807471 1.03366776 6.22945317 6.80027952 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 53219-21-9 29096 144212708 A A Dihydromyrcenol CC(C)(O)CCCC(C)C=C Tox21_302391 -NCGC00260543-01 196703332 tox21-ror-cho-viability-p1 set1 4 1.05306285 0.8640749 1.54408205 0.91033803 -10.17592248 1.83390277 1.22929072 0.72937501 0.39024846 0.97577872 2.6964791 0.40059039 -12.76878501 -0.94933489 -1.60745287 6.494E-11 1.452E-10 3.247E-10 7.261E-10 1.624E-9 3.6299999999E-9 8.118E-9 1.8149999999E-8 4.059E-8 9.0759999999E-8 2.029E-7 4.5379999999E-7 0.0000010149999999 0.000002269 0.0000050739999999 3386-33-2 18815 144210196 F Fns Octadecyl chloride CCCCCCCCCCCCCCCCCCCl Tox21_202998 -NCGC00260164-01 196703335 tox21-ror-cho-viability-p1 set1 4 1.70375806 -5.56680438 2.74191023 -4.86251314 -0.6909224 -0.76246407 1.75696535 3.11301622 1.85923133 -7.90628978 3.75374828 4.12966016 -0.28529974 0.60470348 5.86384615 1.189E-9 2.6589999999E-9 5.946E-9 1.3289999999E-8 2.973E-8 6.647E-8 1.486E-7 3.3239999999E-7 7.4319999999E-7 0.000001662 0.000003716 0.000008309 0.000018579999999 0.000041549999999 0.0000929 765910-73-4 2734250 144209814 A A 1-Butyl-2,3-dimethylimidazolium trifluoromethanesulfonate CCCCn1cc[n+](C)c1C.FC(F)(F)S([O-])(=O)=O Tox21_202616 -NCGC00091088-05 196703340 tox21-ror-cho-viability-p1 set1 4 1.2753756 1.008317 1.19160713 1.29663245 0.8969283 0.63777134 1.03451716 1.2547631 6.06195752 -1.40252324 0.8126411 -11.02243015 0.98484992 0.07324395 0.6205795 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00254746-01 196700040 tox21-ror-cho-viability-p1 set1 4 2.90838018 5.44521478 5.05311462 1.63021171 1.39196406 2.63892316 5.40908383 4.60948304 2.02782752 4.91542382 4.31498815 4.27088129 5.95128087 5.10160232 2.22233153 1.7139999999E-9 3.8329999999E-9 8.571E-9 1.9159999999E-8 4.2849999999E-8 9.582E-8 2.1429999999E-7 4.791E-7 0.000001071 0.0000023959999999 0.000005357 0.00001198 0.00002678 0.00005989 0.0001339 10326-41-7 61503 144211160 D D-Lactic acid O=C(O)[C@@H](C)O Tox21_300843 -NCGC00254803-01 196700047 tox21-ror-cho-viability-p1 set1 4 0.26128255 -2.7224353 1.8472624 -0.03561264 0.00848694 1.27655184 -0.02285329 0.68808757 -0.53916798 0.67876641 -7.73663566 1.65704184 1.88157072 0.35465732 0.73556354 1.039E-9 2.323E-9 5.1939999999E-9 1.161E-8 2.597E-8 5.8069999999E-8 1.2979999999E-7 2.903E-7 6.492E-7 0.0000014519999999 0.000003246 0.000007258 0.00001623 0.00003629 0.00008115 149358-73-6 53316400 144211216 CC Chloramine T hydrate (1:x) [Na+].O.O.Cc1ccc(cc1)S(=O)(=O)[N-]Cl Tox21_300899 -NCGC00255562-01 196700448 tox21-ror-cho-viability-p1 set1 4 2.55345778 0.57106535 -0.54870575 4.49455394 3.33694048 0.28401449 1.0388185 1.40184809 2.71869599 5.19969614 1.05655712 -0.93342496 0.58262121 2.3766028 0.26240762 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22204-53-1 156391 144212270 A A Naproxen O=C(O)[C@@H](C)c1ccc2cc(ccc2c1)OC Tox21_301953 -NCGC00255497-01 196700454 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -25.9233879839 -2.5 -28.4233879839 0.8999999999 0.5532363366 0.132964739 -10.6894859 1.99729682 1.44536378 -0.75321465 -4.76256446 -1.94646014 -7.19722212 -3.35264088 1.43267111 -2.96201499 -10.36564717 -0.02248024 -10.07695554 -9.93535995 -20.35282332 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-37-2 31208 144212303 A A 4-Anilinophenol Oc2ccc(Nc1ccccc1)cc2 Tox21_301986 -NCGC00256227-01 196700461 tox21-ror-cho-viability-p1 set1 4 2.87790023 1.6006345 0.60191556 2.00640343 0.48960077 -0.23738852 -0.86325308 -1.18417252 1.20195625 4.32883622 1.02199232 -0.60062964 0.97948661 2.06484663 2.58367094 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2399-48-6 94232 144212045 A A Tetrahydrofurfuryl acrylate O=C(OCC1CCCO1)C=C Tox21_301728 -NCGC00255239-01 196700875 tox21-ror-cho-viability-p1 set1 -2.1 15.6793061892 -62.3020211909 0.224839398 -62.0771817929 1.4780888099 0.9789252285 6.43E-8 0.14876071 0.38834043 -0.19143972 -1.23436499 -0.83680043 1.35594342 1.70463523 1.89162387 -0.08609169 -0.1206103 -7.25585019 -10.97083256 -25.21476986 -37.09067839 -60.85998215 7.4319999999E-10 1.662E-9 3.716E-9 8.31E-9 1.8579999999E-8 4.1549999999E-8 9.2899999999E-8 2.077E-7 4.645E-7 0.000001039 0.000002323 0.0000051929999999 0.000011609999999 0.000025969999999 0.000058059999999 1937-37-7 5359662 144212659 FNS C.I. Direct Black 38 [Na+].[Na+].Nc6ccc(/N=N/c1ccc(cc1)c2ccc(cc2)/N=N/c5c(cc4cc(c(/N=N/c3ccccc3)c(O)c4c5N)S([O-])(=O)=O)S([O-])(=O)=O)c(N)c6 Tox21_302342 -NCGC00255841-01 196700877 tox21-ror-cho-viability-p1 set1 4 1.91611137 2.06176108 -0.90655673 2.42657858 -3.08840474 3.26923576 -1.469844 1.73562364 -0.17638781 0.42927137 0.44311232 2.82439285 0.3966287 1.49133821 2.91137178 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 947-02-4 13689 144212222 A A Phosfolan O=P(OCC)(/N=C1\SCCS1)OCC Tox21_301905 -NCGC00255737-01 196701276 tox21-ror-cho-viability-p1 set1 4 -0.40780944 -0.74010969 -0.97377602 -0.65364118 0.31223613 -6.29356646 -0.71213777 -0.97452472 -0.24196643 0.17147246 6.65216323 -6.10329582 0.95301685 5.92379983 1.63987362 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 64-10-8 6145 144211766 A A 1-Phenylurea O=C(N)Nc1ccccc1 Tox21_301449 -NCGC00256097-01 196701284 tox21-ror-cho-viability-p1 set1 4 6.851987566 -22.506355552 2 -20.506355552 0.2 0.5366685975 0.1470984019 1.02445808 -2.14033471 -2.10213983 -0.96108268 -4.43301266 -11.38292645 -6.90616464 -3.31984488 -10.22362737 -6.58795658 -0.77051239 -8.20449506 -9.45339632 -13.12360609 -15.42196296 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 1124-11-4 14296 144212630 A A Tetramethylpyrazine Cc1nc(C)c(C)nc1C Tox21_302313 -NCGC00255391-01 196711108 tox21-ror-cho-viability-p1 set2 -2.4 68.5896218971 -25.1798797959 -4 -29.1798797959 3.5117481694 0.789870181 0.0098220036 -1.61787464 -6.1277369 -4.39916479 -2.82158143 -5.76026704 -6.18505365 -2.58603463 -3.739752 -4.90228223 -7.01007563 -5.12280201 3.02785636 -1.59020466 -7.67320763 -22.64989983 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2492-26-4 3714831 144211819 A A Sodium 2-mercaptobenzothiolate [Na+].[S-]c1nc2ccccc2s1 Tox21_301502 -NCGC00168085-05 196713591 tox21-ror-cho-viability-p1 set2 -1.2 6.6824247267 -62.2893298087 0.6750546259 -61.6142751828 1.331 0.9870600974 3.8E-9 -2.40080922 7.48106345 0.33981317 -0.25877863 -0.00051607 1.39007603 -0.28871592 -2.26941472 -0.89740936 -3.59213536 -7.18968962 -22.5517493 -37.84889719 -50.25510556 -55.76839029 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 149647-78-9 5311 170465180 A Vorinostat (SAHA) O=C(Nc1ccccc1)CCCCCCC(=O)NO Tox21_112605_1 -NCGC00094532-06 196711522 tox21-ror-cho-viability-p1 set2 -2.2 34.9713969285 -56.6612165074 -2.205187709 -58.8664042164 1.9673362061 0.8354194501 0.0034165699 0.40459043 0.63468222 1.02705886 -5.80140984 0.30029736 2.54594726 -4.85775091 -0.22418832 -12.66739161 0 -3.71136475 -19.44930649 0 -43.52274476 -54.50592983 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00256006-01 196711099 tox21-ror-cho-viability-p1 set2 4 1.63837075 -3.7940963 0.48525602 -0.7883224 -3.9922563 -0.40170785 -1.76054958 0.67922043 -1.40773661 -0.55566721 -1.82643607 -2.18849138 0.44221514 -2.47154133 -1.12882242 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21540-35-2 3034319 144212207 A A Methiuron S=C(Nc1cc(C)ccc1)N(C)C Tox21_301890 -NCGC00255828-01 196711114 tox21-ror-cho-viability-p1 set2 4 38.5707788719 -10.787101208 0.5 -10.287101208 2.3331733767 0.8019130223 0.0078626831 -0.97249228 0.27467181 0.58873429 1.51106871 -0.28533768 2.97560695 -0.94339703 0.32692987 0.62375314 -1.22565417 -1.0562536 0.26254186 1.27428155 -6.84845375 -8.57258434 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 28730-17-8 34313 144211649 A A Methfuroxam Cc2c(C)oc(C)c2C(=O)Nc1ccccc1 Tox21_301332 -NCGC00016000-13 196711539 tox21-ror-cho-viability-p1 set2 -2.1 55.7594848687 -100.9989302165 2.0180472809 -98.9808829356 3.1924983358 0.964093215 0.0000013387 4.85843033 2.3362927 5.74443098 6.87946436 1.64043993 5.61828957 4.47041524 3.3559848 -1.23082111 -10.33162106 -2.83998542 -0.56961029 1.68465403 -27.8242138 -82.94006283 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00260185-01 196711932 tox21-ror-cho-viability-p1 set2 4 24.5594267516 24.4555733119 -2.4555733119 22 0.3 0.6684849761 0.0538240012 -1.38992949 -3.71297776 -1.37680475 4.55597656 0.0537338 -0.38277301 0 5.43322457 9.58458114 -0.86045167 7.3369498 5.90827732 9.73185387 7.26230284 16.62264366 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.971E-8 6.6439999999E-8 1.486E-7 3.3219999999E-7 7.428E-7 0.0000016609999999 0.000003714 0.000008305 0.00001857 0.00004152 0.00009285 174899-72-0 16210995 144209835 A Ac 1-Ethyl-2,3-dimethylimidazolium trifluoromethanesulfonate C[n+]1ccn(CC)c1C.FC(F)(F)S([O-])(=O)=O Tox21_202637 -NCGC00260305-01 196712347 tox21-ror-cho-viability-p1 set2 2.2 17.2464564942 36.3048121159 -0.3048121159 36 0.3 0.7238331038 0.0282912351 -1.08734343 0.80463667 1.57968408 12.10692844 1.36528358 3.66795649 3.17040439 10.92051496 14.24189881 14.15015667 12.32560138 13.09743778 11.29560538 17.9548073 30.77272228 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.952E-8 6.6E-8 1.476E-7 3.3E-7 7.379E-7 0.0000016499999999 0.0000036889999999 0.0000082499999999 0.000018449999999 0.00004125 0.000092239999999 25321-09-9 11345 144209956 A B Diisopropylbenzene CC(C)c1ccccc1C(C)C Tox21_202758 -NCGC00091163-03 196712355 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -10.216544248 0 -10.216544248 4.9549173134 0.4163095409 0.2598116494 1.09020904 0.22707169 2.28451359 -2.45584975 -0.81574015 -1.84614557 0.60506183 -6.30383363 1.85229604 -0.8265069 2.43270757 1.50911751 -1.04101875 1.29205306 -7.68045354 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00260184-01 196712359 tox21-ror-cho-viability-p1 set2 4 0.0043938122 8.81553572 -1.31553572 7.5 1.4641 0.4032410535 0.2703795141 0.15114449 0.39902421 4.91457489 6.95873359 4.62704448 7.72148323 8.02387421 9.13128602 5.98794817 -1.9296131 10.41389962 9.13089648 7.86705057 11.17354732 9.92869115 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.679E-8 1.493E-7 3.3389999999E-7 7.467E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004174 0.00009334 307492-75-7 21977262 144209834 A A 1-Ethyl-2,3-dimethylimidazolium tetrafluoroborate C[n+]1ccn(CC)c1C.F[B-](F)(F)F Tox21_202636 -NCGC00260566-01 196712369 tox21-ror-cho-viability-p1 set2 4 -0.0590303 -28.9206868 -5.93026474 -9.87316585 -3.46231892 -12.63701035 -31.75161563 -9.705507 -55.35916607 -27.73145723 -12.97379274 -14.23868153 -4.01762885 -3.07754512 -2.66202593 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49462 144210219 M M NTP Mix74 CT1 62-EQP Tox21_203021 -NCGC00257185-01 196718911 tox21-ror-cho-viability-p1 set2 4 0.0017228934 9.377208452 -7.377208452 2 4.9549173134 0.5538122261 0.1349536086 -6.14767371 0.92948107 0.93416857 2.15339629 -0.44620403 4.04006563 -0.04250548 3.39370418 3.64078729 0.87277335 7.22684758 2.14352325 2.01982311 1.72455637 0.12399596 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1459-93-4 15088 144213526 A A Dimethyl isophthalate COC(=O)c1cccc(c1)C(=O)OC Tox21_303209 -NCGC00257268-01 196719366 tox21-ror-cho-viability-p1 set2 4 -0.38386061 -11.08727773 -1.8604541 -1.36834716 -8.51664197 -11.07137787 -8.53642411 -8.99580616 -4.92024295 -0.74837361 -2.08677406 -1.02935797 -3.50039026 -2.9271558 -9.50637351 3.947E-10 8.825E-10 1.9729999999E-9 4.413E-9 9.867E-9 2.206E-8 4.934E-8 1.1029999999E-7 2.467E-7 5.5159999999E-7 0.000001233 0.0000027579999999 0.0000061669999999 0.000013789999999 0.000030829999999 22260-51-1 31100 144213902 A I Bromocriptine mesylate CS(=O)(=O)O.Brc3nc2cccc1C4=C[C@H](CN(C)[C@@H]4Cc3c12)C(=O)N[C@@]7(O[C@]6(O)N([C@@H](CC(C)C)C(=O)N5CCC[C@H]56)C7=O)C(C)C Tox21_303597 -NCGC00256422-01 196718904 tox21-ror-cho-viability-p1 set2 4 -0.23209334 0.22890892 -0.20277408 -0.25813562 -9.66065964 -5.88665809 -2.22766106 -0.20799612 -0.99911184 -0.61372722 -2.09878239 -0.81490296 -2.99935021 -0.56002918 -2.95951795 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55268-74-1 4891 144213244 A A Praziquantel O=C2CN(CC1c3ccccc3CCN12)C(=O)C4CCCCC4 Tox21_302927 -NCGC00256645-01 196718907 tox21-ror-cho-viability-p1 set2 4 54.4826732819 10.3805629119 -5.3805629119 5 4.5044702849 0.3744516275 0.2981945191 -1.69330313 -7.48191235 -4.87462136 -7.27635981 -8.26589547 -1.96763517 -11.56713576 -2.27028906 -2.18775825 -5.40354991 -0.10334227 -7.85636811 -6.66497575 -2.91515859 3.99502125 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 21948-70-9 519907 144212851 A F Pyrazinyl methyl sulfide CSc1cnccn1 Tox21_302534 -NCGC00254450-01 196719767 tox21-ror-cho-viability-p1 set3 4 21.6899429044 -11.3719090719 6.5 -4.8719090719 0.5999999999 0.3509769853 0.3201841527 3.01609957 0.31522714 11.49657714 5.99844834 10.57345162 2.19764321 12.57850156 4.88657653 3.24517603 6.29589323 -0.20240672 3.37627897 2.62188362 0.19622536 -2.39325756 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-54-9 79 144210672 A Ac 3-Pyridinecarbonitrile N#Cc1cccnc1 Tox21_300354 -NCGC00254355-01 196719768 tox21-ror-cho-viability-p1 set3 4 7.6880564977 9.29612936 -2.79612936 6.5 0.9641 0.5934075543 0.1026526159 -5.15710595 0.84346214 -3.69807534 -0.14332008 -4.41424143 -6.0801078 0.2650221 -2.84547141 -0.39862959 -3.23346224 -0.0040539 5.49384166 -0.54101932 6.47355011 5.6842581 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 134-03-2 23667548 144210873 I Sodium L-ascorbate [Na+].OC=1C(=O)O[C@H]([C@@H](O)CO)C=1[O-] Tox21_300556 -NCGC00254222-01 196719769 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -63.8740952975 10.7398811045 -53.134214193 4.9549173134 0.732435286 0.0251063398 9.48334217 6.01363306 -2.12238363 10.29231842 15.32020592 -2.89914255 12.64774136 14.22705751 16.10610451 14.11975295 23.62553157 23.83557877 -0.28684302 6.45477943 -40.96204332 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 439687-69-1 9895468 144210560 A A Nelivaptan CN(C)C(=O)[C@@H]1C[C@@H](O)CN1[C@]3(c2cc(Cl)ccc2N(C3=O)S(=O)(=O)c4ccc(OC)cc4OC)c5ccccc5OC Tox21_300240 -NCGC00254697-01 196720176 tox21-ror-cho-viability-p1 set3 4 0.4327712569 -8.491782648 4 -4.491782648 0.4 0.3169144464 0.3527682324 5.86051184 -5.82648554 9.90773692 4.55289603 0.44867721 -1.9061758 0.14195807 0.1714354 4.12401851 -4.27529117 -2.67071808 -1.73934573 -3.62958939 -3.03868317 -3.88407073 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13360-45-7 25912 144211110 A A Chlorbromuron Clc1cc(NC(=O)N(C)OC)ccc1Br Tox21_300793 -NCGC00254069-01 196720178 tox21-ror-cho-viability-p1 set3 1.2 0.019331182 34.813944699 9.5 44.313944699 0.3 0.8749000559 0.0044361365 18.9948229 20.69651307 26.14111936 27.8061773 29.65195135 29.90529906 27.02556371 31.7028074 37.66358677 37.48496904 42.01549411 36.98485737 32.53080738 30.94083999 5.27048473 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47311 53257735 144210535 A A GSK163929B CNS(=O)(=O)c1cc(c(Cl)cc1F)C(=O)N2CCC(CC2)(CCN6C3CCC6CC(C3)n4c5ccccc5nc4C)c7cccc(F)c7 Tox21_300215 -NCGC00254698-01 196720181 tox21-ror-cho-viability-p1 set3 4 17.2289340586 -13.83665918 4 -9.83665918 3.9294729863 0.3932947675 0.2780003032 15.39149763 -1.54703693 0.75822699 12.58632134 -3.69913339 1.27842309 0.67186052 3.37313035 -1.09371848 -1.19444473 16.50651607 4.01398223 -3.59927619 -8.29474214 -11.11388265 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10311-84-9 25146 144211111 A A Dialifor CCOP(=S)(OCC)SC(CCl)N2C(=O)c1ccccc1C2=O Tox21_300794 -NCGC00091657-02 196720182 tox21-ror-cho-viability-p1 set3 4 12.1971512362 32.18335242 -16.18335242 16 0.2 0.6569680042 0.0601635375 -11.54788093 -16.81946035 -7.29571367 -5.9747238 -8.36338452 -9.61603553 -5.21457518 -4.09243629 -6.99769919 -1.84893869 -1.71060042 -1.9238347 -5.11655903 -1.56167351 11.0779474 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00091759-02 196724864 tox21-ror-cho-viability-p1 set3 4 6.1130564862 -5.537393208 1.5 -4.037393208 4.9549173134 0.434445719 0.2413740199 -4.61449434 2.27600723 -1.71393316 1.1480103 3.18853865 1.46360414 6.08315996 -2.048791 2.23621177 3.76228313 2.59826216 -3.34718546 -4.15632009 -3.94044291 -3.23777963 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00357012-01 196724456 tox21-ror-cho-viability-p1 set3 4 0.26603212 -9.4805015639 0.5 -8.9805015639 4.9549173134 0.4704720242 0.2052426842 -3.65461958 0.70151716 1.76188653 -2.32873842 0.27445974 8.87030762 -6.67786745 2.89296638 -8.78693481 -4.52865833 -5.32640585 -20.40041797 -6.60911423 -10.01050344 -6.13740588 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 36437-37-3 118327 251919801 A 2-(2H-Benzotriazol-2-yl)-6-(butan-2-yl)-4-tert-butylphenol CC(C)(C)c1cc(c(O)c(c1)C(C)CC)n2nc3ccccc3n2 Tox21_303942 -NCGC00260067-01 196724457 tox21-ror-cho-viability-p1 set3 4 9.4948877323 -7.79944566 1.5 -6.29944566 4.9549173134 0.3941188951 0.2787097855 -1.26505619 -4.70519498 0.91644247 7.01881194 2.8885233 1.32316521 3.31241608 -5.83904929 3.61210783 2.80031793 2.80060038 3.4121578 -2.45558069 -8.99953805 -3.58473809 5.928E-10 1.3259999999E-9 2.964E-9 6.628E-9 1.482E-8 3.314E-8 7.41E-8 1.6569999999E-7 3.705E-7 8.285E-7 0.0000018529999999 0.000004142 0.000009263 0.00002071 0.00004631 39025-23-5 6450278 144209716 A A Guggulsterone Z C\C=C4/C(=O)C[C@@H]3[C@]4(C)CC[C@H]2[C@H]3CCC1=CC(=O)CC[C@@]12C Tox21_202518 -NCGC00357277-01 196724854 tox21-ror-cho-viability-p1 set3 4 0.086349218 8.0696724719 -2.5696724719 5.5 1.8851180601 0.8473395346 0.0038112873 -4.22472706 -3.25796398 -2.61152404 0.63975768 -1.5345499 -0.14698621 3.18545502 6.49884482 5.44711174 6.18934559 6.63401202 6.42190745 3.5515109 2.45014783 -9.52373659 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1752-30-3 2770166 251919796 A Acetone thiosemicarbazide C/C(C)=N\NC(N)=S Tox21_304003 -NCGC00260280-01 196724871 tox21-ror-cho-viability-p1 set3 4 0.0000862864 12.6980025999 -11.6980025999 1 0.7999999999 0.3429935594 0.3279357697 -9.7483355 0.596293 -7.01740899 3.25814704 -4.24413841 -2.11332464 2.76446738 4.73280077 -5.65166385 1.02566575 2.38075117 3.28214439 -1.09534184 1.9569823 2.55084335 4.973E-11 1.112E-10 2.486E-10 5.559E-10 1.243E-9 2.78E-9 6.216E-9 1.3899999999E-8 3.108E-8 6.949E-8 1.554E-7 3.4749999999E-7 7.77E-7 0.000001737 0.0000038849999999 191-24-2 9117 144209930 A Benzo(g,h,i)perylene c3cc2ccc1cccc6c1c2c4c3ccc5cccc6c45 Tox21_202732 -NCGC00260102-01 196724874 tox21-ror-cho-viability-p1 set3 4 0.3868848233 -5.675082772 1.5 -4.175082772 4.0949729863 0.4502828649 0.2423814394 -0.72884226 -2.99100438 6.62540867 1.33466812 1.70496736 1.45941176 2.22664833 -0.70115762 -2.60680888 -7.64590231 -7.35920222 -5.59415336 2.7748759 -5.07380923 9.35350109 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9569999999E-8 6.613E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003697 0.000008266 0.00001848 0.00004133 0.000092409999999 89-08-7 6962 144209751 F 4-Sulfophthalic acid OS(=O)(=O)c1cc(c(cc1)C(=O)O)C(=O)O Tox21_202553 -NCGC00260169-01 196724937 tox21-ror-cho-viability-p1 set3 4 -0.53408694 -13.35744139 8.41084253 -0.43746024 -0.50544788 -5.11928261 -0.08891686 3.58162318 2.30261783 4.70020084 3.42007144 -5.74865155 1.70472245 -1.28810933 -0.51251378 1.187E-9 2.6549999999E-9 5.936E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.318E-7 7.42E-7 0.000001659 0.0000037099999999 0.0000082959999999 0.00001855 0.000041479999999 0.000092749999999 174501-65-6 2734178 144209819 A A 1-Butyl-3-methylimidazolium tetrafluoroborate CCCCn1cc[n+](C)c1.F[B-](F)(F)F Tox21_202621 -NCGC00260469-01 196724530 tox21-ror-cho-viability-p1 set3 4 0.0003481749 6.16851608 -6.66851608 -0.5 3.5117481694 0.3255953776 0.3601915967 -0.14295511 -13.4737634 -3.26970663 -0.6520256 -1.95613103 3.55490554 -0.14317433 -0.16211326 -0.96711347 3.25735697 -1.87843399 1.65457861 -3.29909867 -3.11168977 -2.59670778 6.093E-11 1.362E-10 3.0469999999E-10 6.812E-10 1.523E-9 3.406E-9 7.617E-9 1.7029999999E-8 3.808E-8 8.5159999999E-8 1.904E-7 4.258E-7 9.521E-7 0.000002129 0.0000047599999999 523-27-3 68226 144210121 Fc 9,10-Dibromoanthracene Brc2c1ccccc1c(Br)c3ccccc23 Tox21_202923 -NCGC00260484-01 196724532 tox21-ror-cho-viability-p1 set3 4 6.2563171025 -7.766707184 -0.5 -8.266707184 4.9549173134 0.5760738031 0.1153865644 -5.74014959 -3.77608861 -2.64969475 -3.78552827 0.12886782 -1.0649497 1.28830943 3.32946501 1.73223944 3.87505683 2.65148509 -9.00427389 -9.80558932 -7.62514194 -5.95524317 1.203E-9 2.69E-9 6.014E-9 1.345E-8 3.007E-8 6.7239999999E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003759 0.0000084049999999 0.000018789999999 0.00004202 0.00009397 63041-77-0 44368 144210136 A F 7-Methylbenzo(a)pyrene Cc5cccc1c5cc2ccc4cccc3ccc1c2c34 Tox21_202938 -NCGC00260583-01 196724935 tox21-ror-cho-viability-p1 set3 4 4.2163249602 18.3141015279 -6.3141015279 12 0.4 0.7058552989 0.0357270061 -9.42841794 -4.55778123 -2.6027301 -5.88804328 -2.70938521 -5.21210724 -4.73660124 1.20797472 3.37007986 -5.02596124 1.33602968 1.99087646 0.85990024 8.41828205 8.11866936 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49479 144210236 M M NTP Mix33 CT1 1-EQP Tox21_203038 -NCGC00260604-01 196724942 tox21-ror-cho-viability-p1 set3 4 0.0006682425 26.6025222199 -27.1025222199 -0.5 4.9549173134 0.6552170181 0.0612013464 -19.25210185 1.5465651 -4.04911244 -3.00555385 1.8013963 1.10121109 -0.79592735 -0.17127008 -4.05786235 -0.14258784 -1.69315369 -8.44631888 4.46488073 0.24500132 4.76948153 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49500 144210257 M M NTP Mix7 AR1 8-EQC Tox21_203059 -NCGC00260030-01 196724947 tox21-ror-cho-viability-p1 set3 4 0.18215745 5.24083171 5.79733893 -2.03533042 4.51273434 -9.52350041 4.82202693 -0.26131598 -0.29713999 -2.13431406 6.14626056 -1.02156043 -0.89742173 2.74966754 2.93068613 1.19E-9 2.66E-9 5.949E-9 1.3299999999E-8 2.9739999999E-8 6.6509999999E-8 1.487E-7 3.325E-7 7.436E-7 0.000001663 0.000003718 0.000008314 0.00001859 0.00004157 0.00009295 75-05-8 6342 144209679 AC Acetonitrile CC#N Tox21_202481 -NCGC00258754-01 196703364 tox21-ror-cho-viability-p1 set1 4 0.24261316 2.6095707 -2.78911767 -0.20148134 2.87981708 -0.03581548 -1.70989715 -3.99189616 1.32042516 -2.17444112 13.98749482 13.91433995 -1.82846845 -2.2408848 0.04113639 1.1989999999E-9 2.6809999999E-9 5.995E-9 1.3409999999E-8 2.998E-8 6.703E-8 1.4989999999E-7 3.351E-7 7.494E-7 0.000001676 0.000003747 0.000008378 0.00001873 0.00004189 0.00009367 107-15-3 3301 144208400 Ethylenediamine NCCN Tox21_201202 -NCGC00091261-03 196703357 tox21-ror-cho-viability-p1 set1 4 7.65124446 0.4473237 1.65999074 4.2740837 -0.34369548 0.55057716 3.61330233 4.8135226 4.74629034 1.91531228 0.14851752 4.7646446 4.48428299 0.31646633 4.31215132 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00260245-01 196703770 tox21-ror-cho-viability-p1 set1 4 -0.94922574 0.21965919 2.17981927 -1.68358472 4.02998607 -1.27216397 2.88621086 -1.22903889 1.86348062 3.35649256 -0.39395429 0.07889265 3.05902451 1.49848929 2.31902789 1.183E-9 2.644E-9 5.913E-9 1.322E-8 2.9569999999E-8 6.611E-8 1.4779999999E-7 3.306E-7 7.3909999999E-7 0.0000016529999999 0.000003696 0.0000082639999999 0.00001848 0.00004132 0.00009239 872-90-2 12038941 144209895 A A 1-Ethylpyridinium iodide [I-].CC[n+]1ccccc1 Tox21_202697 -NCGC00259864-01 196705881 tox21-ror-cho-viability-p1 set1 4 -0.02556603 -1.18539327 4.07479951 -1.46914492 3.28605411 4.32472189 1.5397499 1.08931128 -18.3736138 -3.03562974 1.11220804 2.9777434 0.52210154 -0.80243714 1.64333142 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.00001844 0.000041219999999 0.00009218 22839-47-0 134601 144209513 F F Aspartame O=C(O)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC Tox21_202315 -NCGC00247719-01 196705463 tox21-ror-cho-viability-p1 set1 4 1.34849422 -0.82087991 -3.03989586 -3.80691138 -3.81155852 -0.02675691 0.57491675 -1.07223256 -0.66281117 1.01664233 0.99387891 3.9244018 0.28805441 0.41442033 -2.13393419 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.794E-8 1.519E-7 3.397E-7 7.596E-7 0.0000016979999999 0.000003798 0.000008492 0.000018989999999 0.00004246 0.00009495 0.0002123 106133-22-6 6442928 144206435 A A 1-Benzylpiperazine difumarate O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.c1ccccc1CN2CCNCC2 Tox21_112882 -NCGC00015288-09 196705474 tox21-ror-cho-viability-p1 set1 4 -4.3250395 -4.20531891 -5.54569292 -4.33301497 -3.59877082 1.04681739 -0.25356223 0.43023601 0.70003932 -4.96782669 -4.676249 -4.1342544 -5.63841447 -3.39459473 0.49132586 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2259-96-3 2910 170465274 A Cyclothiazide NS(=O)(=O)c4cc1c(NC(NS1(=O)=O)C3CC2C=CC3C2)cc4Cl Tox21_110124_1 -NCGC00258793-01 196705876 tox21-ror-cho-viability-p1 set1 -2.2 61.7527572729 -71.1797379003 -0.883600502 -72.0633384023 2.9022712143 0.9082042341 0.0002091136 -1.23429166 -0.84057219 0.12984481 0.45975679 3.2011141 1.27100131 -3.39046361 -2.01387986 8.1062032 -13.91468106 -1.13555493 -0.06565577 -5.99734153 -16.8824781 -55.72980182 1.19E-9 2.661E-9 5.949E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003718 0.000008314 0.00001859 0.00004157 0.000092959999999 104-40-5 1752 144208439 A A 4-Nonylphenol Oc1ccc(CCCCCCCCC)cc1 Tox21_201241 -NCGC00258862-01 196705894 tox21-ror-cho-viability-p1 set1 4 -16.22287836 -8.38362042 -14.74659297 -13.66175693 -6.52794994 -9.40276412 -11.19835756 -10.28398295 0.87108103 -14.38589063 -0.6509456 -11.33115893 -14.2276952 -5.9139593 -12.70609089 1.1779999999E-9 2.634E-9 5.891E-9 1.3169999999E-8 2.945E-8 6.586E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.0000036819999999 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009204 61702-44-1 22584 144208508 A Fns 2-Chloro-1,4-diaminobenzene sulfate Nc1cc(Cl)c(N)cc1.O=S(=O)(O)O Tox21_201310 -NCGC00259636-01 196705897 tox21-ror-cho-viability-p1 set1 4 1.89391886 1.58391798 7.39795618 2.40837096 -0.90641104 3.05521693 2.80810773 0.12388756 2.53586011 12.34317687 1.33372221 2.59929028 -0.24780233 -0.31136109 0.48992236 1.1699999999E-9 2.6159999999E-9 5.849E-9 1.3079999999E-8 2.925E-8 6.539E-8 1.462E-7 3.27E-7 7.311E-7 0.000001635 0.000003656 0.0000081739999999 0.00001828 0.000040869999999 0.000091389999999 97-59-6 204 144209285 A A Allantoin O=C1NC(=O)NC1NC(=O)N Tox21_202087 -NCGC00259731-01 196706299 tox21-ror-cho-viability-p1 set1 4 -8.84731571 -4.21207871 -6.32583826 -11.42339839 -7.5427125 -9.00114249 -4.20596005 -3.97326856 -8.33173942 -7.33617559 5.06176584 -10.01676404 -2.22040203 -9.32618587 -0.72848915 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.324E-8 2.959E-8 6.618E-8 1.4799999999E-7 3.309E-7 7.399E-7 0.0000016539999999 0.0000036989999999 0.000008272 0.0000185 0.00004136 0.00009248 81-81-2 54678486 144209380 A A Warfarin CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccccc3 Tox21_202182 -NCGC00259619-01 196706302 tox21-ror-cho-viability-p1 set1 -2.1 61.0684034629 -95.5808640506 3.1798278335 -92.4010362171 4.0449729863 0.9732593207 2.521E-7 5.70092162 9.20568862 6.87033265 6.62329021 2.14646988 0.96364097 1.79016254 1.86191641 -5.33073614 4.74109693 1.05979989 1.95901396 0.01459125 -11.7937684 -77.19775471 1.179E-9 2.6359999999E-9 5.8929999999E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.294E-7 7.367E-7 0.0000016469999999 0.0000036829999999 0.000008236 0.00001842 0.000041179999999 0.00009208 54965-24-1 2733525 144209268 A A Tamoxifen citrate O=C(O)C(O)(CC(=O)O)CC(=O)O.CN(C)CCOc1ccc(cc1)/C(c2ccccc2)=C(/CC)c3ccccc3 Tox21_202070 -NCGC00259822-01 196706705 tox21-ror-cho-viability-p1 set1 4 1.27221472 4.8995865 4.55836949 2.26845512 3.74977023 -1.79853846 -0.27437061 2.2675046 -0.18556391 -0.0493252 -1.85754309 0.56634034 -1.52609289 1.73892113 0.80283151 1.175E-9 2.6269999999E-9 5.873E-9 1.3129999999E-8 2.9369999999E-8 6.566E-8 1.468E-7 3.2829999999E-7 7.3419999999E-7 0.000001642 0.0000036709999999 0.000008208 0.00001835 0.00004104 0.00009177 298-46-4 2554 144209471 A A Carbamazepine NC(=O)N2c3ccccc3C=Cc1ccccc12 Tox21_202273 -NCGC00259935-01 196706717 tox21-ror-cho-viability-p1 set1 4 5.06063156 0.07417144 3.95977407 -0.5096562 0.96449435 1.78500437 0.98297713 3.0690994 6.65247784 3.59323033 1.72199178 1.69427382 1.08230182 -2.94078193 3.72297881 1.194E-9 2.6689999999E-9 5.968E-9 1.335E-8 2.9839999999E-8 6.6729999999E-8 1.4919999999E-7 3.3359999999E-7 7.4599999999E-7 0.000001668 0.00000373 0.0000083409999999 0.00001865 0.0000417 0.000093249999999 106-24-1 637566 144209584 A A Geraniol C\C(C)=C\CCC(\C)=C\CO Tox21_202386 -NCGC00249607-02 196712811 tox21-ror-cho-viability-p1 set2 4 0.3349145963 -4.8584035399 -1.5 -6.3584035399 3.9899729863 0.4960420864 0.2010810334 -2.76786278 -3.3928982 -4.74546717 0.4121977 1.75060618 -3.62172218 0.91217892 -1.13433007 -4.31085205 -8.63200295 -1.68266038 -8.59473953 -5.94246837 -7.27145816 -3.53398156 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 28868-76-0 120070 170466696 F Dimethyl chloromalonate COC(=O)C(Cl)C(=O)OC Tox21_113538_1 -NCGC00260453-01 196712377 tox21-ror-cho-viability-p1 set2 -3 15.3865400603 -97.0731728053 -3.123207901 -100.1963807063 2.4063783767 0.8825933451 0.0020481172 -0.38293686 0.32572999 -1.69932003 -8.26379687 -0.16602268 -4.99955998 -6.53097396 -0.02274095 -5.44516932 -10.14072931 -7.76019044 -4.93100446 -75.90634902 6.97643711 14.29450376 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.303E-7 7.387E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 253-52-1 9207 144210105 A A Phthalazine c1cccc2cnncc12 Tox21_202907 -NCGC00159551-02 196712790 tox21-ror-cho-viability-p1 set2 4 37.5780357627 -20.549554324 0.5 -20.049554324 4.9549173134 0.730282141 0.0261572756 -0.15289276 -0.61710773 -1.6128909 -1.1372241 2.43122347 2.14635596 7.2125409 -0.17212471 0.10260187 -1.48143619 -1.44165549 1.38819177 -2.78191439 0.3687305 -15.04129527 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103420-77-5 443375 170466556 A Devazepide O=C(N[C@H]2N=C(c1ccccc1N(C)C2=O)c3ccccc3)c4cc5ccccc5n4 Tox21_111744_1 -NCGC00165791-04 196712795 tox21-ror-cho-viability-p1 set2 4 -1.10453809 -0.42734117 -5.36657133 -4.51791325 -4.36849155 -0.36255302 0.97127673 -4.3994123 -0.59542744 0.23398137 -0.78775166 -1.10040521 0.29393613 -0.74340554 0.81671639 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 108929-04-0 157313 170465284 A Epinastine hydrochloride Cl.NC2=NCC3c4ccccc4Cc1ccccc1N23 Tox21_112263_1 -NCGC00015565-06 196713210 tox21-ror-cho-viability-p1 set2 4 -0.78352339 -0.23631511 -3.72280487 -0.91508672 1.24265975 -0.10784827 0.62414635 -0.3136334 1.42767318 0.14803869 -0.21451366 0.04874371 1.75495067 0.25360525 4.14476563 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 36504-56-0 5702132 170466357 A Iproniazid sulfate O=C(NNC(C)C)c1ccncc1.O=S(=O)(O)O Tox21_111341_1 -NCGC00270540-02 196713214 tox21-ror-cho-viability-p1 set2 4 1.31970349 3.00223872 2.26066987 2.80474391 -1.45771084 3.66937493 -0.16794491 3.06608535 0.89341275 2.31648154 3.19266623 0.78980107 0.41269476 1.05390569 2.4499556 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72432-03-2 441314 170465326 Z Miglitol OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO Tox21_111436_1 -NCGC00244580-01 196713215 tox21-ror-cho-viability-p1 set2 4 1.03880638 -2.36519861 -3.11171357 6.6320391 -2.7541847 -2.7483868 4.85774072 -3.31191393 4.9859994 3.13228591 2.87459784 4.20963142 2.00643609 2.19808604 -2.78605114 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00016242-05 196713224 tox21-ror-cho-viability-p1 set2 4 0.0211316824 -9.4843198879 8.5 -0.9843198879 4.5044702849 0.8397706575 0.0030675707 7.67789617 9.37484103 9.2806452 7.82870153 7.07738009 0.20267323 -1.79619662 -1.18968152 -0.67448867 0.2911612 -0.07058554 -0.6656794 1.11026158 -7.48693324 0.53830983 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54-36-4 4174 170465268 A Metyrapone CC(C)(c1cccnc1)C(=O)c2cccnc2 Tox21_110323_1 -NCGC00024609-02 196713639 tox21-ror-cho-viability-p1 set2 4 -3.55706105 -0.75603041 -3.1850561 -0.17837697 0.37090274 -5.28006519 0.88487847 0.46635203 0.05058401 0.23155793 0.70320509 0.28772145 -0.11679002 0.72287957 3.85081608 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 70788-28-2 51173 170466495 A Flurofamide O=C(NP(N)(N)=O)c1ccc(F)cc1 Tox21_110912_1 -NCGC00182073-03 196713641 tox21-ror-cho-viability-p1 set2 4 0.0473079441 -6.06063346 4.5 -1.56063346 2.3331733767 0.743118111 0.0283688031 2.42305591 7.58377588 4.6521705 2.919398 3.41621204 4.13597439 -1.52317561 -0.08498222 -4.21719455 0.43319522 -1.56960636 -2.36514902 -2.73410541 -0.15535688 1.56363927 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69049-73-6 50294 170464978 F Nedocromil O=C(O)C2=CC(=O)c3cc1c(OC(=CC1=O)C(=O)O)c(CCC)c3N2CC Tox21_113148_1 -NCGC00090776-02 196713643 tox21-ror-cho-viability-p1 set2 4 3.60463285 -1.46677744 2.70654187 2.5374413 -0.276076 2.75044872 2.3373331 2.50478987 -0.98435096 2.61240256 2.95867655 0.76318607 -0.18386894 1.72054778 -1.29131218 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00255955-01 196710736 tox21-ror-cho-viability-p1 set2 4 68.5896218971 11.070131016 -1.070131016 10 0.5 0.4411783209 0.23626911 4.60360255 -2.92997014 -2.97510918 -1.54582015 -1.06121069 -1.07532998 -1.45598408 -0.44698904 0.01966671 -0.03550026 3.98282808 0.13969581 3.11612495 0.82339832 7.05596098 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 827-19-0 23691974 144212532 A Ac Sodium 2,5-dimethylbenzenesulfonate [Na+].Cc1ccc(C)cc1S(=O)([O-])=O Tox21_302215 -NCGC00255341-01 196710336 tox21-ror-cho-viability-p1 set2 4 3.34228824 3.82392584 -1.08425611 2.70515233 0.94124973 0.24083499 -3.13576573 0.30489872 -1.85863766 2.93895264 -0.10067472 -0.03485476 0.765648 3.20022445 4.09328266 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 542-92-7 7612 144212451 FNS 1,3-Cyclopentadiene C1=CC=CC1 Tox21_302134 -NCGC00091426-02 196722659 tox21-ror-cho-viability-p1 set3 4 3.0637858693 -10.687127076 1 -9.687127076 2.4063783767 0.6233695674 0.0940496609 -0.3427612 -5.71139981 4.61236553 1.85196038 -1.93036567 -0.16901318 6.40633467 4.27094945 -1.80127221 -0.75491763 -4.35131935 -13.90593923 -8.98112106 -6.66409989 0.34055625 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00259559-01 196722244 tox21-ror-cho-viability-p1 set3 4 27.5283213152 9.0631493639 -4.5631493639 4.5 4.9549173134 0.5822602966 0.111179066 -4.69082503 -1.643139 0.84614998 -4.1012367 -6.26536477 -7.55262447 -6.6626447 -4.75759524 -4.49850822 -0.17805908 -6.12558451 -5.75091042 -4.33876375 4.73858811 3.11887085 1.188E-9 2.657E-9 5.941E-9 1.3279999999E-8 2.971E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016609999999 0.000003713 0.000008303 0.00001857 0.000041509999999 0.000092829999999 579-66-8 11369 144209208 A Fc 2,6-Diethylaniline CCc1cccc(CC)c1N Tox21_202010 -NCGC00259227-01 196722251 tox21-ror-cho-viability-p1 set3 -3 68.6593799697 -53.9553656051 -1.353996516 -55.3093621211 3.6272481694 0.9686314353 6.266E-7 -3.47941083 1.63893325 -4.56793312 1.51911721 -1.39918647 0.6960875 -2.17270358 1.24862277 -1.05695557 -1.11698058 -3.66053157 -1.36248375 -2.77210809 -8.48526217 -41.90103191 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.952E-8 6.6E-8 1.476E-7 3.3E-7 7.379E-7 0.0000016499999999 0.0000036889999999 0.0000082499999999 0.000018449999999 0.00004125 0.000092239999999 20830-75-5 2724385 144208876 A A Digoxin O=C1C=C(CO1)[C@H]2CC[C@@]8(O)[C@]2(C)[C@H](O)C[C@H]4[C@H]8CC[C@@H]3C[C@H](CC[C@@]34C)O[C@@H]7O[C@H](C)[C@@H](O[C@H]6C[C@H](O)[C@H](O[C@H]5C[C@H](O)[C@H](O)[C@@H](C)O5)[C@@H](C)O6)[C@@H](O)C7 Tox21_201678 -NCGC00163150-07 196722650 tox21-ror-cho-viability-p1 set3 2.2 29.8492948118 55.8058493725 1.1492537589 56.9551031314 3.6272481694 0.9706555184 4.288E-7 -1.54954294 0.33800437 0.97959556 0.96995484 2.08492189 3.04227221 2.64597079 1.85636152 -3.58039687 1.98362579 5.58997303 2.49505805 0.72205015 12.19787475 47.50500307 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 37148-27-9 2783 170465955 A Clenbuterol Clc1cc(cc(Cl)c1N)C(O)CNC(C)(C)C Tox21_112016_1 -NCGC00274074-01 196723074 tox21-ror-cho-viability-p1 set3 2.4 37.5780357627 35.620743652 2.379256348 38 0.7999999999 0.6538459841 0.0618618441 7.46100525 2.63242033 6.02117809 2.03427448 3.98355827 2.93883015 3.24450907 -1.35061971 8.51792311 7.84948497 9.20105447 3.81132235 6.89954378 10.66728578 30.08334068 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4536-30-5 24750 170466587 F F 2-(Dodecyloxy)ethanol OCCOCCCCCCCCCCCC Tox21_113966 -NCGC00024842-05 196723081 tox21-ror-cho-viability-p1 set3 2.4 29.8492948118 28.456649336 1.043350664 29.5 3.1924983358 0.854211153 0.0019854544 6.10477233 0.49752893 1.71956661 0.14138553 5.14969508 -1.870208 -2.04720778 -0.88570864 3.73458019 -1.97075172 -1.39721836 0.4430953 1.98722413 7.68046184 23.94170741 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 533-45-9 10783 170466516 A Clomethiazole ClCCc1scnc1C Tox21_110931_1 -NCGC00249906-01 196723474 tox21-ror-cho-viability-p1 set3 4 4.69462462 -2.48572445 5.59493022 7.06370365 2.39827273 4.02029189 0.39811769 -3.84802631 -23.99354534 -2.42340473 2.12741857 5.39486233 -2.79287116 4.36100859 -8.1521613 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13912-80-6 14866 170465989 A A Nicoboxil O=C(OCCOCCCC)c1cccnc1 Tox21_113682 -NCGC00015817-14 196723476 tox21-ror-cho-viability-p1 set3 4 2.6603212004 -5.5256419559 0.5 -5.0256419559 4.9549173134 0.3775743267 0.3121241952 0.94605468 -1.28279797 -0.86541368 1.68014183 -0.13588645 -2.43183546 -0.3016631 -0.18174306 0.21248687 2.53645365 5.30944044 -10.85470163 -2.27866307 -2.67952624 3.70050229 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60-87-7 4927 170465107 A Promethazine CN(C)C(C)CN1c3ccccc3Sc2ccccc12 Tox21_110227_1 -NCGC00163815-04 196723478 tox21-ror-cho-viability-p1 set3 -2.1 61.130564862 -80.2033516208 -3.481931806 -83.6852834268 2.2526478767 0.938991756 0.0000247166 -4.80125363 1.04062634 -4.51833864 -4.7395693 1.2564316 -1.46933893 -4.57043501 1.42137607 -4.4766841 -2.50358147 -6.70718087 -7.01892519 -17.95029864 -20.90514979 -63.39794199 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00167534-02 196723088 tox21-ror-cho-viability-p1 set3 1.1 2.1131682429 53.13526497 -1.1909613629 51.9443036071 1.6266150999 0.9060019664 0.0002355723 -0.07623614 -2.89061374 0.92223921 -2.60092162 -1.08301509 7.50699922 -2.65174537 -0.7427324 -5.06141889 3.2388678 30.11371913 38.31252583 41.74006939 37.37347971 67.28375501 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127045-41-4 65957 170465985 A Pazufloxacin NC1(CC1)c4c(F)cc2c3N(C=C(C2=O)C(=O)O)[C@@H](C)COc34 Tox21_112531_1 -NCGC00016646-05 196722675 tox21-ror-cho-viability-p1 set3 4 -7.76279661 5.03050008 -13.31072392 -9.58767499 -17.41529912 -2.58954943 -0.846567 -20.92823064 2.73785168 2.05843853 4.07924706 1.53868058 -5.92957897 -1.66650295 1.37898611 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4093-35-0 2446 170466299 A Bromopride Nc1cc(OC)c(cc1Br)C(=O)NCCN(CC)CC Tox21_110543_1 -NCGC00159349-05 196726201 tox21-ror-cho-viability-p1 set3 4 -5.05480959 0 -8.22632583 1.97964185 -7.94326642 -7.76394263 3.45629518 3.79389334 -0.7011968 -1.92031086 -5.04431659 -8.33140302 1.48443648 1.10768938 -0.97242496 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 797-63-7 13109 170465033 A Levonorgestrel O=C4CC[C@H]3C(CC[C@@H]2[C@@H]3CC[C@@]1(CC)[C@H]2CC[C@@]1(O)C#C)=C4 Tox21_111593_1 -NCGC00015437-17 196726177 tox21-ror-cho-viability-p1 set3 4 -0.13803123 0.33659372 -5.1822567 -8.84368163 -1.00429309 -5.06671991 -4.29942474 -4.29553181 -0.95743591 0.23139981 -0.82589908 -1.60818161 -6.07538614 -3.72736602 -11.51336747 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 49562-28-9 3339 170464718 A Fenofibrate O=C(c1ccc(Cl)cc1)c2ccc(OC(C)(C)C(=O)OC(C)C)cc2 Tox21_110147_1 -NCGC00091380-04 196726187 tox21-ror-cho-viability-p1 set3 4 0 0 -2.42767557 -2.76003629 2.29090317 2.13570742 -0.40085865 -7.54682842 -4.54990043 -0.48495813 1.75456088 3.14189692 -0.17578123 3.36760875 -7.63418643 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00018230-09 196726194 tox21-ror-cho-viability-p1 set3 4 0 0 -2.02466985 -2.89961594 4.13179463 0.62100091 -8.74527004 -10.91738834 -1.91934967 2.96608003 5.25500869 -8.77977361 4.40094068 5.25070604 -7.28305618 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17692-31-8 3169 170466654 A Dropropizine OC(CN1CCN(CC1)c2ccccc2)CO Tox21_110842_1 -NCGC00256776-01 196726597 tox21-ror-cho-viability-p1 set3 4 0.0611305649 2.807097984 -1.307097984 1.5 3.5117481694 0.3894986592 0.3061294674 -0.65896738 0.63636509 0.52919635 -6.08924832 -0.50705271 0.10143373 1.17646968 2.59368028 0.76189647 1.64293062 4.08154655 1.15416402 1.28599217 0.33845754 -5.01217006 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 880-09-1 70151 144212801 F Fns Dipiperidinomethane C1CCCCN1CN2CCCCC2 Tox21_302484 -NCGC00257233-01 196726599 tox21-ror-cho-viability-p1 set3 4 0.0019331182 -13.4974268559 13 -0.4974268559 1.8616924601 0.5062860516 0.1741223274 9.68762752 3.92740441 1.57644485 0.32749014 -1.33672134 3.08779911 -3.04128385 -2.64421714 -3.43287162 -2.2078025 -4.16452238 3.73785762 4.63132588 -3.78282159 1.51671953 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-80-1 445639 144213641 A Bc Oleic acid O=C(O)CCCCCCC/C=C\CCCCCCCC Tox21_303324 -NCGC00256652-01 196726603 tox21-ror-cho-viability-p1 set3 4 -1.02507879 -2.61508715 0.06530672 -2.38556544 -2.27000715 -1.72156154 -23.92026453 -29.53482522 -26.32707432 -4.25410623 -2.75735542 -1.524839 -1.13458462 -2.23777745 1.82816183 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2478-10-6 75588 144212968 A A 4-Hydroxybutyl prop-2-enoate O=C(C=C)OCCCCO Tox21_302651 -NCGC00091284-03 196726605 tox21-ror-cho-viability-p1 set3 4 -3.66742908 -2.51692913 -3.19238999 -1.0385488 -1.94422023 -5.31812703 -1.49459324 -4.64658834 -1.10230635 -1.23941294 0 0.35111929 1.98629457 0.14919363 -3.55096939 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00254707-01 196719658 tox21-ror-cho-viability-p1 set3 4 7.19956819 -2.21684757 4.99017105 7.38270419 5.82231166 8.31035062 4.38829622 0.98775309 4.96550738 2.24956487 6.05738421 7.90975277 6.48852266 -3.68029024 6.25516371 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10281-55-7 10887985 144211120 FNS (S)-Citronellene C=C[C@@H](C)CC\C=C(\C)C Tox21_300803 -NCGC00256512-01 196719242 tox21-ror-cho-viability-p1 set2 -1.1 9.6885416101 -91.1473716575 2.8884365485 -88.258935109 3.1319983358 0.9939445515 0 -0.02477989 2.14758219 -0.19246924 3.64928265 -0.96755155 5.1908991 1.93244936 4.52974149 4.16329344 3.06145223 1.42295949 -30.04027962 -83.83732739 -87.04036993 -84.19034571 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-47-4 6478 144213097 Hexachlorocyclopentadiene ClC=1C(Cl)=C(Cl)C(Cl)(Cl)C=1Cl Tox21_302780 -NCGC00257089-01 196719254 tox21-ror-cho-viability-p1 set2 -1.1 6.6810653827 -103.1745822091 -2.0350949446 -105.2096771537 1.4641 0.9502744955 0.0000081483 -0.66946395 3.2076206 1.64161046 5.93536913 -0.72657 1.74378625 -0.50887926 -2.50576381 -20.16400433 -21.53274075 -12.50239046 -26.21826912 -71.20403311 -95.8193781 -92.88637448 5.898E-10 1.319E-9 2.9489999999E-9 6.5939999999E-9 1.4739999999E-8 3.297E-8 7.3719999999E-8 1.6489999999E-7 3.6859999999E-7 8.243E-7 0.000001843 0.000004121 0.000009216 0.000020609999999 0.00004608 13463-41-7 26041 144213522 A Zinc pyrithione [O-][n+]2ccccc2S[Zn]Sc1cccc[n+]1[O-] Tox21_303205 -NCGC00090986-03 196719654 tox21-ror-cho-viability-p1 set3 4 -3.68261735 -6.6181961 1.0859525 4.24945281 0.39110309 1.56105716 -9.31346858 -6.78857843 3.17774939 -9.48296989 -8.69776502 -7.57236028 3.16582164 3.844225 -16.42589403 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00257150-01 196707967 tox21-ror-cho-viability-p1 set1 4 7.49624527 -0.52897087 6.76747359 0.998231 0.06242724 5.62327021 11.70330006 13.63565275 9.26434022 3.95275856 6.21553883 5.54091911 7.90891887 7.78767294 0.33409896 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-20-6 5192 144213580 A A Decanedioic acid O=C(O)CCCCCCCCC(=O)O Tox21_303263 -NCGC00257162-01 196707961 tox21-ror-cho-viability-p1 set1 4 -2.60860477 1.24522346 0.31548944 2.90429436 3.03404542 4.98304733 3.68969984 -1.19093561 -0.20171055 -2.25807959 4.56061893 -2.38312957 -0.24261848 1.12498827 -1.84791272 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-02-7 31279 144213456 Fns Diallylamine C=CCNCC=C Tox21_303139 -NCGC00256964-01 196707962 tox21-ror-cho-viability-p1 set1 4 0.019331182 19.1511917 -15.1511917 4 0.2 0.4334933062 0.2407193657 -11.79265975 -8.01304584 -2.09755464 -0.72736974 -11.11319264 -8.90371929 0.47295563 -0.7028333 -0.4345235 -6.24129561 -1.10954342 -1.21028239 1.71288588 -1.80856864 3.56363221 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2814-20-2 17777 144213614 A A 2-Isopropyl-6-methyl-4-pyrimidone O=C1C=C(C)NC(=N1)C(C)C Tox21_303297 -NCGC00090858-02 196708372 tox21-ror-cho-viability-p1 set2 4 0.86216454 -1.44100944 -2.67155186 -5.51054475 -1.56276686 -0.30101444 -1.03345083 -0.05605907 -2.78816855 0.29049567 -1.97010865 -0.07381894 -2.33333795 -6.76270735 -6.4329523 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00091261-03 196708384 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -22.804343032 0.5 -22.304343032 4.9549173134 0.8005208035 0.0079357983 -2.25760069 3.64556601 -1.65016035 -1.29897086 -1.55730306 -2.33603108 0.11618812 0.09555552 -0.53362081 1.45102691 -0.05951876 3.69758684 3.56408343 2.08945522 -16.92028586 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00259858-01 196708391 tox21-ror-cho-viability-p1 set2 -2.4 76.9588215421 -32.30542732 -2.5 -34.80542732 4.9549173134 0.8401080586 0.0030188247 -1.26060208 -3.92107651 -7.37245823 -5.77240749 1.13179274 -4.18542141 -0.46648328 -4.72599523 1.52374535 -0.0557027 -4.93097985 -0.47738467 -0.94787799 -1.07946774 -27.3378561 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1948-33-0 16043 144209507 Z Z tert-Butylhydroquinone CC(C)(C)c1cc(O)ccc1O Tox21_202309 -NCGC00259060-01 196708801 tox21-ror-cho-viability-p1 set2 4 3.77794222 -1.56785639 1.80293294 1.94925099 1.04770853 3.65937381 4.79602254 1.6082981 1.99794939 3.05456154 1.87115715 0.78210047 5.64574182 5.09550091 1.25697772 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.961E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.000003701 0.000008275 0.0000185 0.00004137 0.000092519999999 315-22-0 9415 144208707 A A Monocrotaline O=C1OCC3=CCN2CC[C@@H](OC(=O)[C@H](C)[C@@](C)(O)[C@@]1(C)O)[C@H]23 Tox21_201509 -NCGC00259692-01 196708803 tox21-ror-cho-viability-p1 set2 4 -0.78988056 -0.55098731 -2.41959936 -4.35236246 -5.38524958 -2.6629046 -0.07374304 0.6114179 0.0272557 2.03066042 -1.39207616 0.08762421 2.10057563 2.66893812 3.8852965 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.000092909999999 100-64-1 7517 144209341 A A Cyclohexanone oxime O\N=C1/CCCCC1 Tox21_202143 -NCGC00356989-01 196702999 tox21-ror-cho-viability-p1 set1 4 -7.18790394 -5.58785209 -5.12189548 -14.77747523 -8.02653878 -17.16788062 -16.33475191 -17.05235513 -2.03621108 -14.98620702 -6.61412824 -8.80298605 -11.91549805 -20.45657021 -6.98576787 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52663-68-0 40475 251919985 Fns 2,2',3,4',5,5',6-Heptachloro-1,1'-biphenyl Clc2c(c1cc(Cl)c(Cl)cc1Cl)c(Cl)c(Cl)cc2Cl Tox21_303787 -NCGC00257828-01 196702594 tox21-ror-cho-viability-p1 set1 4 5.9332191311 6.4373951561 0.0626048439 6.5 4.9549173134 0.4858424015 0.2099314054 1.02078468 0.95148976 0.84773966 -0.01065705 0.17252823 0.79236515 -5.78116263 6.56708701 -0.2022034 -2.80317607 -0.78201954 6.15002098 6.25918433 5.98178803 2.16022222 1.1509999999E-9 2.5739999999E-9 5.7559999999E-9 1.2869999999E-8 2.878E-8 6.436E-8 1.4389999999E-7 3.218E-7 7.195E-7 0.000001609 0.0000035979999999 0.000008044 0.00001799 0.00004022 0.00008994 105-57-7 7765 144207472 FNS Acetal CC(OCC)OCC Tox21_200274 -NCGC00356993-01 196702991 tox21-ror-cho-viability-p1 set1 4 1.7228934059 -5.1656130079 0 -5.1656130079 4.9549173134 0.498008115 0.1821616744 -2.75208954 -1.81398415 0.70233206 -4.11669267 0.45791905 2.28268648 -0.75196334 1.73280147 2.17964247 -2.3763007 -6.59148415 -8.88801084 -0.06607059 -5.59132726 -5.68858573 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 243973-20-8 210326 251919724 F Pinoxaden CC(C)(C)C(=O)OC2=C(C(=O)N1CCOCCN12)c3c(CC)cc(C)cc3CC Tox21_304033 -NCGC00260114-01 196702995 tox21-ror-cho-viability-p1 set1 4 -0.17066941 4.11356197 2.18707823 2.26395221 5.30613901 0.99565436 3.54329609 4.96914184 8.77618495 -0.18952486 6.44661788 3.38275945 2.40520358 1.49264487 4.38576646 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.6799999999E-8 1.494E-7 3.34E-7 7.468E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004175 0.000093349999999 5165-97-9 23665719 144209763 F 2-Acrylamido-2-methylpropanesulphonate sodium salt [Na+].[O-]S(=O)(=O)CC(C)(C)NC(=O)C=C Tox21_202565 -NCGC00164127-03 196703402 tox21-ror-cho-viability-p1 set1 -2.2 61.130564862 -68.3006408054 1.9082881954 -66.39235261 3.9899729863 0.9746857398 1.844E-7 3.72564256 6.61275684 6.57012843 0.67573969 0.01098259 0.58626872 0.35674906 -0.31872475 -1.78950147 3.01466476 0.26438193 1.18549877 1.71552694 -10.17774246 -55.22147925 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00254854-01 196714478 tox21-ror-cho-viability-p1 set2 4 2.38575931 0.26820146 -4.36458698 -1.84154259 -5.73846582 -7.96253839 -9.16249103 -4.36565865 -7.6340415 -1.56811133 -1.97601459 1.29066746 1.97772492 -3.02639972 -0.75122813 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1072-83-9 14079 144211269 A A 2-Acetylpyrrole CC(=O)c1cccn1 Tox21_300952 -NCGC00254146-01 196714460 tox21-ror-cho-viability-p1 set2 4 1.98465679 -0.21595598 2.76155434 1.1897835 0.38204057 2.42295563 1.87321155 0.38968998 2.92757738 5.78483443 0.0875151 4.54593793 4.13669657 0.94693913 0.59927716 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-28-0 7185 144210629 A A Triethylene glycol bis(2-ethylhexanoate) O=C(OCCOCCOCCOC(=O)C(CC)CCCC)C(CC)CCCC Tox21_300309 -NCGC00254236-01 196714467 tox21-ror-cho-viability-p1 set2 4 0.24863097 0.84006481 8.71847868 8.06636131 5.97208498 12.99964616 7.51866724 7.52719691 5.8883013 14.58182808 8.0633475 -3.2966934 14.64562887 9.95351629 -3.68491134 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 41481-66-7 833466 144210946 A A 4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol] Oc1ccc(cc1CC=C)S(=O)(=O)c2cc(CC=C)c(O)cc2 Tox21_300629 -NCGC00254309-01 196714476 tox21-ror-cho-viability-p1 set2 4 -1.19975055 -0.25094847 -1.00641245 -4.21148604 -2.68402706 1.14193033 -3.17004209 1.4179658 -2.09274701 -1.67042793 -3.63550833 -2.82464275 -3.18796058 -0.54393252 0.53003937 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55-18-5 5921 144210851 Ac N-Nitrosodiethylamine CCN(CC)N=O Tox21_300533 -NCGC00254821-01 196714871 tox21-ror-cho-viability-p1 set2 4 1.00394469 -1.60604177 -0.1609318 0.49488662 -1.06364945 0.73363067 0.57951314 -0.57977936 -0.45102948 -1.04236407 0.11416312 0.79577423 -0.45735366 4.76208065 1.4099771 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1582-09-8 5569 144211235 A A Trifluralin [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)C(F)(F)F Tox21_300918 -NCGC00091759-02 196714879 tox21-ror-cho-viability-p1 set2 4 1.86870702 -0.73815405 2.78023787 -1.34265087 -0.18714876 2.66643895 2.36665855 2.7033926 3.87601632 2.47549148 1.27859091 1.19733963 0.22999224 1.03360282 3.00909152 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00254183-01 196714888 tox21-ror-cho-viability-p1 set2 4 -2.83732539 -0.15453385 -0.95081423 -2.74998878 -0.02352793 -1.46963533 -1.01352644 0.54726294 -1.63540383 -2.28604147 0.85495079 4.17585864 3.53814781 2.79957475 3.21845573 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-61-9 3102 144210378 A A Benzophenone O=C(c1ccccc1)c2ccccc2 Tox21_300058 -NCGC00015966-10 196713244 tox21-ror-cho-viability-p1 set2 4 2.39202646 2.59676824 4.50457752 3.66215579 2.39956703 4.10766992 0.33493774 2.25218085 3.82473599 3.8281984 1.36156877 7.56538062 3.39613675 5.22277952 3.71786036 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23672-07-3 688272 170465834 I Levosulpiride CCN2CCC[C@H]2CNC(=O)c1cc(ccc1OC)S(N)(=O)=O Tox21_110933_1 -NCGC00260148-01 196712413 tox21-ror-cho-viability-p1 set2 -1.3 27.3060203028 -93.5159107383 -8.601361129 -102.1172718673 1.9673362061 0.9187849163 0.1199599143 -5.99934133 -17.32250961 -10.69730126 -8.85332134 -9.1337461 -19.26201539 0 0 -11.78723063 0 -82.86229081 -29.34822193 -24.59344179 -82.31903066 -91.01361129 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 900-95-8 16682804 144209798 Ac Ac Triphenyltin acetate CC(=O)O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3 Tox21_202600 -NCGC00013058-02 196712837 tox21-ror-cho-viability-p1 set2 -1.1 13.3331902297 -78.5984991992 -2.469824077 -81.0683232762 2.4063783767 0.9590872723 0.0000027763 -0.99809712 -0.63158914 -0.01995386 -1.81007369 -3.48143433 -1.19718839 -3.17467102 -3.1660159 -1.02595123 -3.11616572 -5.27027319 -15.31391189 -12.0362109 -70.27530734 -79.47874831 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2437-29-8 2724411 170465712 A Malachite green oxalate C/[N+](C)=C1\C=C/C(C=C1)=C(/c2ccccc2)c3ccc(cc3)N(C)C.[O-]C(=O)C(=O)O.[O-]C(=O)C(=O)O.O=C(O)C(=O)O.CN(C)c1ccc(cc1)C(\c2ccccc2)=C3/C=C/C(C=C3)=[N+](/C)C Tox21_110008_1 -NCGC00253737-01 196713235 tox21-ror-cho-viability-p1 set2 4 2.3710137656 -22.436634904 9.5 -12.936634904 0.3 0.7381909214 0.0233052441 2.51263064 10.48466347 8.72073001 9.77648116 7.20821401 1.73364725 2.44271234 0.09076085 0.00855468 0.64275961 -1.12034386 1.11761905 -0.28596851 -9.11386242 -8.94896112 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 155270-99-8 5311037 170466116 I F Istradefylline COc1ccc(cc1OC)/C=C/c3nc2c(C(=O)N(CC)C(=O)N2CC)n3C Tox21_113855 -NCGC00183856-01 196713245 tox21-ror-cho-viability-p1 set2 4 26.6032120037 -19.173142556 1.5 -17.673142556 1.8579476909 0.8510833177 0.0022103071 4.11869758 4.34895549 1.35192254 1.61844656 -0.83058963 2.61341379 0.54071684 3.19929898 0.1783014 -1.76731202 1.49501853 -0.11645317 -0.70887284 -5.33084813 -13.06095213 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2020-25-9 4783 144206805 A A Phenyl 11-iodo-10-undecynoate O=C(Oc1ccccc1)CCCCCCCCC#CI Tox21_113254 -NCGC00255060-01 196698989 tox21-ror-cho-viability-p1 set1 4 0.24717895 0.67296779 0.71019687 -2.75133377 0.69207275 1.1241896 -2.04089312 -3.02438525 -0.33417853 -1.52561054 -0.35445425 -0.10470612 -1.98441308 0.54193052 1.49827286 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18172-67-3 440967 144211479 FNS (-)-beta-Pinene CC2(C)[C@H]1CCC(=C)[C@@H]2C1 Tox21_301162 -NCGC00016789-06 196698158 tox21-ror-cho-viability-p1 set1 -2.2 29.8492948118 -65.5179247199 0.6606968159 -64.857227904 4.0949729863 0.9931848336 1E-10 0.51141125 1.8166088 2.08665793 -0.82659239 -0.0015467 3.09534192 0.44227735 0.06061735 1.90560529 -1.22945036 -0.67018168 0.78730149 1.1647222 -11.0595929 -55.29768992 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25155-18-4 14842 170466819 C Methylbenzethonium chloride [Cl-].CC(C)(C)CC(C)(C)c2ccc(OCCOCC[N+](C)(C)Cc1ccccc1)cc2C Tox21_113530_1 -NCGC00253766-01 196698572 tox21-ror-cho-viability-p1 set1 4 -0.50106294 1.51895656 2.32059832 2.70366465 2.80559525 1.24347682 0.80312902 5.91859908 2.01188564 1.71991558 1.73017028 -1.09036412 2.2711365 1.26928877 0.24713541 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 774-40-3 13050 170466686 F A Ethyl mandelate OC(C(=O)OCC)c1ccccc1 Tox21_113879 -NCGC00016627-04 196698581 tox21-ror-cho-viability-p1 set1 -3 29.8492948118 -75.4364985484 1.8532310244 -73.583267524 4.9549173134 0.9899154066 9E-10 1.00515223 7.44932324 1.67728801 1.24926361 1.12556162 1.13971574 1.22014633 2.66970871 3.00763974 0.38216981 2.72128536 0.25329566 0.27902551 -8.62420255 -65.48605627 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3416-26-0 3926 170466621 A Lidoflazine Cc4cccc(C)c4NC(=O)CN3CCN(CCCC(c1ccc(F)cc1)c2ccc(F)cc2)CC3 Tox21_110533_1 -NCGC00091261-03 196698990 tox21-ror-cho-viability-p1 set1 4 -2.24275713 -2.32557402 -3.38063012 -4.59540951 -2.79944064 -5.19249245 -2.85733986 -1.00709824 -0.67641947 -0.95711902 -4.99842176 -3.48197377 1.33794001 -2.48776014 -1.41192939 1.1699999999E-9 2.6159999999E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.539E-8 1.462E-7 3.269E-7 7.311E-7 0.000001635 0.0000036549999999 0.000008173 0.00001828 0.000040869999999 0.00009138 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00260116-01 196723937 tox21-ror-cho-viability-p1 set3 4 43.6735229148 11.2819833639 -2.2819833639 9 0.7 0.4121720184 0.2624331498 -3.26667848 -3.79884726 1.45131815 -3.65058767 -0.87873052 -3.15509051 -4.81831947 3.14518941 -3.13769034 -4.54946154 4.82178901 -1.91362368 2.05080275 2.04164858 5.87037466 1.189E-9 2.658E-9 5.9439999999E-9 1.3289999999E-8 2.9719999999E-8 6.646E-8 1.486E-7 3.323E-7 7.4299999999E-7 0.0000016609999999 0.0000037149999999 0.000008307 0.000018579999999 0.00004154 0.000092879999999 7351-61-3 81811 144209765 F F 3-(Trichlorosilyl)propyl methacrylate Cl[Si](Cl)(Cl)CCCOC(=O)C(=C)C Tox21_202567 -NCGC00260363-01 196723916 tox21-ror-cho-viability-p1 set3 4 1.3363031037 23.34552174 -8.34552174 15 0.2 0.5802264516 0.1122062451 -6.95460145 -5.83436713 -6.18778281 -4.28246819 0.76657348 -3.67165485 -1.10281252 1.6543824 -1.41520355 -0.67984798 -0.21689652 2.57789954 0.03034157 -1.4361489 11.57968517 5.91E-11 1.322E-10 2.955E-10 6.608E-10 1.4779999999E-9 3.3039999999E-9 7.3879999999E-9 1.652E-8 3.694E-8 8.26E-8 1.847E-7 4.1299999999E-7 9.2349999999E-7 0.0000020649999999 0.000004618 25389-94-0 441374 144210015 Fns Kanamycin A sulfate O=S(=O)(O)O.O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CN)O[C@@H]3O[C@H]2[C@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O)[C@H](N)C[C@@H]2N Tox21_202817 -NCGC00260367-01 196723918 tox21-ror-cho-viability-p1 set3 4 43.8940033243 -18.321912768 0.5 -17.821912768 3.0654483358 0.5608682221 0.1267747192 -6.21591258 2.07237521 1.50138017 -1.68365244 1.14399892 -5.04959039 -4.19369851 2.58723425 6.06416074 10.77565203 -0.74962552 1.46251904 -0.59288235 -7.80887114 -16.51826064 1.194E-9 2.671E-9 5.972E-9 1.335E-8 2.986E-8 6.677E-8 1.493E-7 3.3389999999E-7 7.465E-7 0.000001669 0.000003733 0.000008347 0.00001866 0.000041729999999 0.00009332 326-06-7 67589 144210019 Z Z 4,4,4-Trifluoro-1-phenyl-1,3-butanedione O=C(CC(=O)C(F)(F)F)c1ccccc1 Tox21_202821 -NCGC00260181-01 196723927 tox21-ror-cho-viability-p1 set3 4 -3.95183558 2.17802888 2.37671581 3.34933557 7.33670925 4.32734535 7.03192215 -3.75362101 0.71084896 -0.27884858 0.10095331 3.4921916 2.35427299 2.58524024 7.11515111 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.309E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008272 0.0000185 0.00004136 0.00009248 98892-76-3 60196374 144209831 F 1-Ethyl-2,3-dimethylimidazolium bromide Br.CN1C=CN(CC)C1C Tox21_202633 -NCGC00016666-06 196697762 tox21-ror-cho-viability-p1 set1 4 0.49092142 -0.86453884 -0.82514947 -2.11347897 0.14664287 -4.40638802 -6.5314439 -1.53573683 -2.92588888 -0.27460189 1.38071638 -0.11177626 -0.53534025 -4.60078351 -1.17900019 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5985-00-2 6419942 170465806 C Hydrocotarnine hydrobromide Br.CN1Cc2c(OC)c3OCOc3cc2CC1 Tox21_110552_1 -NCGC00159511-04 196697776 tox21-ror-cho-viability-p1 set1 4 37.5780357627 -11.56089222 -1.5 -13.06089222 4.9549173134 0.6615294652 0.0587941693 -1.29021458 -1.78986491 -3.2238339 -0.78561735 0.71916461 -2.83355043 -4.67381302 -3.16113833 0.87098059 -1.5726121 -1.72561049 -0.63555957 -0.73002852 1.13762036 -10.88407685 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 101828-21-1 2484 170465093 A Butenafine CN(Cc1ccc(cc1)C(C)(C)C)Cc3cccc2ccccc23 Tox21_111729_1 -NCGC00183835-01 196697778 tox21-ror-cho-viability-p1 set1 4 1.38247333 4.7834078 0.6867518 0.12853562 1.13115294 4.55973302 1.36989346 1.0024404 -0.82499122 0.85035044 1.82442727 1.86750962 0.78713459 -0.66013559 0.3901265 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14261-75-7 26602 144206822 A A Cloforex Clc1ccc(CC(C)(C)NC(=O)OCC)cc1 Tox21_113271 -NCGC00255122-01 196728284 tox21-ror-cho-viability-p1 set3 4 -4.78299763 8.06684972 8.3130514 2.77385524 1.08094018 -0.20050793 2.28055141 2.11920542 0.90613209 -0.67721975 1.80292178 -1.23593 -1.38515189 1.6949634 -0.09653232 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 29122-68-7 2249 144212743 B A Atenolol CC(C)NCC(O)COc1ccc(cc1)CC(N)=O Tox21_302426 -NCGC00256029-01 196727872 tox21-ror-cho-viability-p1 set3 4 6.1130564862 -7.895984816 0 -7.895984816 4.9549173134 0.324709837 0.3596186702 0 -5.34096091 3.90034974 1.28907541 -6.56905834 -3.84632241 7.35735404 4.50736963 -6.52573043 0.94426763 6.90317093 -8.66332068 -8.418692 -6.14859073 -1.17512528 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 64063-37-2 116529 144212572 A A 2,6-Dichloro-3-methylaniline Clc1c(C)ccc(Cl)c1N Tox21_302255 -NCGC00255810-01 196728270 tox21-ror-cho-viability-p1 set3 4 0.37223754 2.23411252 -2.09496545 -8.94118211 -1.72268225 -2.78819823 -1.22419577 -4.8441407 -3.89283462 -0.00891721 -0.27617345 -6.89224369 -2.07849219 0.33793859 3.14109746 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55934-93-5 60196418 144211621 F Tripropylene glycol butyl ether OC(OCC(C)OC(CC)OCCCC)CC Tox21_301304 -NCGC00255114-01 196728274 tox21-ror-cho-viability-p1 set3 4 21.6899429044 -9.910142764 2 -7.910142764 0.9999999999 0.5386807284 0.1644677356 0 0.55450177 4.87151411 3.28140357 2.64092194 0.47555736 1.22656656 -0.47488343 5.47496779 1.61462838 -0.8553239 -1.32820594 -1.00171961 -4.92511897 2.19855448 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-10-3 444539 144212454 A A E-Cinnamic acid O=C(O)/C=C/c1ccccc1 Tox21_302137 -NCGC00258860-01 196720919 tox21-ror-cho-viability-p1 set3 4 55.092707214 22.6838212919 -4.6838212919 18 2.9522712143 0.6979214448 0.0391380277 -5.75141383 -8.98657192 1.34835359 -2.07480953 -6.91572587 -5.70997712 -5.45588928 -11.40318441 -4.38169928 0.50217264 -6.26414938 -5.14680377 -0.26666341 1.84261071 14.20995988 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.976E-8 6.656E-8 1.4879999999E-7 3.3279999999E-7 7.441E-7 0.0000016639999999 0.000003721 0.000008319 0.0000186 0.0000416 0.00009301 93-68-5 7154 144208506 A B N-(2-Methylphenyl)-3-oxobutanamide O=C(Nc1ccccc1C)CC(C)=O Tox21_201308 -NCGC00259731-01 196720905 tox21-ror-cho-viability-p1 set3 4 13.7411171718 7.825951436 -3.325951436 4.5 4.9549173134 0.3860885573 0.2859057366 -6.83920877 -6.53509608 2.29542573 2.43092612 -7.35664338 -5.36623583 -4.88810214 -4.43251896 -8.60495953 4.21225918 -0.84300066 -5.65850523 4.89600263 5.42698061 2.48589979 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.324E-8 2.959E-8 6.618E-8 1.4799999999E-7 3.309E-7 7.399E-7 0.0000016539999999 0.0000036989999999 0.000008272 0.0000185 0.00004136 0.00009248 81-81-2 54678486 144209380 A A Warfarin CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccccc3 Tox21_202182 -NCGC00259760-01 196720906 tox21-ror-cho-viability-p1 set3 4 31.387142881 20.431176564 -10.931176564 9.5 2.3531167061 0.6375567679 0.0716688669 -12.3671128 -12.08139827 -8.29119313 -3.48884136 -15.4649346 -13.3861474 -6.11972905 -12.08455853 -22.02598047 -7.74515792 -6.86448122 -10.48904869 -6.14875146 2.45626374 8.00981051 1.204E-9 2.6909999999E-9 6.018E-9 1.346E-8 3.009E-8 6.728E-8 1.5049999999E-7 3.3639999999E-7 7.523E-7 0.000001682 0.000003761 0.000008411 0.000018809999999 0.000042049999999 0.000094029999999 2050-92-2 16316 144209409 FC N-pentylpentan-1-amine CCCCCNCCCCC Tox21_202211 -NCGC00258971-01 196720913 tox21-ror-cho-viability-p1 set3 4 -6.86361967 -3.55164954 -4.56270497 0.03109412 -3.43544921 -5.21437748 -4.70114832 -4.95932901 -4.41210314 -2.28726111 -9.75795058 -4.31621051 -4.41182934 0.46916192 -2.79901961 1.208E-9 2.7E-9 6.038E-9 1.3499999999E-8 3.019E-8 6.751E-8 1.51E-7 3.376E-7 7.548E-7 0.0000016879999999 0.0000037739999999 0.000008439 0.00001887 0.000042189999999 0.000094349999999 59-67-6 938 144208618 A A Nicotinic acid O=C(O)c1cccnc1 Tox21_201420 -NCGC00259835-01 196720923 tox21-ror-cho-viability-p1 set3 -2.1 27.167235033 -65.3178071149 -2.75273872 -68.0705458349 1.692447691 0.9497512524 0.0000086352 -1.5314342 0.04941679 -9.75691624 -1.75264166 -2.20201329 -4.67286098 -3.06478306 -2.50127206 -5.57452007 0.79155795 -2.10769306 -7.00788835 -31.92070285 -38.33632309 -66.73582925 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.938E-8 6.568E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.000041049999999 0.0000918 121-79-9 4947 144209484 A A Propyl gallate Oc1cc(cc(O)c1O)C(=O)OCCC Tox21_202286 -NCGC00259335-01 196721304 tox21-ror-cho-viability-p1 set3 4 29.4886897648 10.033736048 -4.033736048 6 4.9549173134 0.8032906415 0.0075767963 -5.44478004 0.4040839 -4.43805844 -3.94742705 -4.65444262 -4.62275176 -4.72466518 -3.98454805 -4.75751776 -4.26465053 -2.81455892 -1.47603643 -4.55478231 4.64733697 5.62700011 1.1429999999E-9 2.555E-9 5.714E-9 1.278E-8 2.857E-8 6.388E-8 1.428E-7 3.194E-7 7.1419999999E-7 0.000001597 0.000003571 0.000007985 0.00001786 0.00003993 0.00008928 110-69-0 8069 144208984 I I Butanal oxime CCC\C=N/O Tox21_201786 -NCGC00091351-03 196721305 tox21-ror-cho-viability-p1 set3 4 1.0093895327 11.451020836 -4.451020836 7 3.9294729863 0.8662037972 0.0013335304 -3.23578488 -3.97336071 -3.15843288 -3.93042142 -0.72241723 -9.95918403 -4.66370144 -4.69136745 -1.65787815 6.71757912 7.87630061 10.52809931 4.88086338 6.27483764 5.93956209 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00259164-01 196721316 tox21-ror-cho-viability-p1 set3 4 -14.49978874 -3.14666708 1.42587687 1.81020635 -10.26588014 -3.99178593 -7.09158984 0.63636458 -5.89055644 -0.07686183 1.26140907 -7.58910941 -8.76046087 -2.35682239 3.34695225 1.1779999999E-9 2.633E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.00000368 0.00000823 0.000018399999999 0.00004115 0.00009201 8007-70-3 144208813 Anise oil Tox21_201615 -NCGC00259590-01 196721323 tox21-ror-cho-viability-p1 set3 4 -8.36629256 -2.65411167 -1.43710914 2.62343605 -6.85292277 -5.17640371 -6.96053458 -7.29894725 -9.60913481 -6.49829225 -6.09392614 -8.57149284 -3.26297263 0.50260591 -3.02277554 1.191E-9 2.664E-9 5.9569999999E-9 1.332E-8 2.978E-8 6.66E-8 1.489E-7 3.33E-7 7.446E-7 0.000001665 0.0000037229999999 0.0000083249999999 0.00001861 0.00004162 0.000093069999999 88-18-6 6923 144209239 A A 2-tert-Butylphenol CC(C)(C)c1ccccc1O Tox21_202041 -NCGC00255680-01 196710466 tox21-ror-cho-viability-p1 set2 4 2.16219252 4.16082386 0.84559589 2.34532583 3.38779042 0.68949214 -0.5273988 1.17837213 0.77787775 -0.22621489 1.09046641 0.69453929 0.3281565 0.55333562 5.97098029 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 867-13-0 13345 144212370 A Triethyl phosphonoacetate O=P(CC(=O)OCC)(OCC)OCC Tox21_302053 -NCGC00256274-01 196710448 tox21-ror-cho-viability-p1 set2 4 48.5577336745 11.8002322 -0.8002322 11 3.5722481694 0.858347164 0.0017850691 0.03037262 -0.64919943 -2.43103529 0.70980365 1.48875621 -0.03376717 -0.33922196 -2.7501935 -1.62221102 -0.70759813 -2.31066576 -1.65454254 -0.36659448 3.29506153 9.82041391 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4985-85-7 21088 144211827 A A 2,2'-[(3-Aminopropyl)imino]diethanol OCCN(CCCN)CCO Tox21_301510 -NCGC00255612-01 196710454 tox21-ror-cho-viability-p1 set2 4 3.33606569 0.06404568 -0.47451726 1.24380726 -4.68792075 -0.96683497 0.36009998 0.07127031 1.09057264 0.17112352 1.36035751 -0.36605708 -0.34300006 0.62160172 0.71926348 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7646-85-7 5727 144211809 Zinc chloride Cl[Zn]Cl Tox21_301492 -NCGC00159337-04 196705087 tox21-ror-cho-viability-p1 set1 -2.2 29.8492948118 -60.7629468698 0.4847821659 -60.2781647039 4.0949729863 0.9749732053 1.728E-7 3.67037442 -0.24327733 0.90279826 -0.42206153 0.39531834 3.65874688 0.08158134 0.14666113 0.13278731 1.28009243 -0.09818881 1.03452114 -6.47813707 -10.60287689 -51.48180392 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 154598-52-4 64139 170464810 A Efavirenz FC(F)(F)[C@@]3(C#CC1CC1)OC(=O)Nc2ccc(Cl)cc23 Tox21_111582_1 -NCGC00179445-03 196705082 tox21-ror-cho-viability-p1 set1 4 29.8492948118 -17.926098216 -0.5 -18.426098216 1.8616924601 0.6565051843 0.0607704109 -0.48906507 0.29606612 0.24019517 0.04386053 0.09365218 0.56883432 0.50010972 -0.9543944 -8.33052555 3.38940927 0.39399182 0.94179085 -5.06653462 -5.31533869 -13.68841518 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 152-62-5 9051 170465104 A Dydrogesterone CC(=O)[C@H]2CC[C@H]3[C@@H]4C=CC1=CC(=O)CC[C@@]1(C)[C@@H]4CC[C@]23C Tox21_110429_1 -NCGC00091616-03 196705083 tox21-ror-cho-viability-p1 set1 4 -0.0240412 1.76330345 1.31879411 2.16891083 -1.1115769 3.76980543 0.92097473 -0.90013518 -0.54683353 -3.32893678 4.18024471 -0.04069534 2.95361107 1.58201035 6.37570624 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 938-73-8 3282 170465775 A 2-Ethoxybenzamide CCOc1ccccc1C(N)=O Tox21_111156_1 -NCGC00247732-01 196705084 tox21-ror-cho-viability-p1 set1 4 -0.14102236 0.03497559 0.99746905 -2.73816661 1.11671213 -4.32737645 0.28746163 -3.88815179 -0.77521201 -1.70191987 -0.07554273 -3.95518306 -0.23307709 -2.47011986 1.2806871 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 520-52-5 10624 144206451 A A Psilocybin O=P(O)(O)Oc2cccc1ncc(CCN(C)C)c12 Tox21_112898 -NCGC00015876-11 196705484 tox21-ror-cho-viability-p1 set1 4 1.85276299 -0.76260284 -0.34868315 -3.3132575 1.08048936 -1.73684262 -3.46201323 -1.93364637 0.00529156 -0.53386032 -1.96637214 -2.59168541 -0.29002462 1.86368395 -0.81079614 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66357-35-5 3001055 170465134 A Ranitidine [O-][N+](=O)\C=C(/NC)NCCSCc1ccc(CN(C)C)o1 Tox21_110250_1 -NCGC00015833-15 196705490 tox21-ror-cho-viability-p1 set1 4 -0.83921346 -0.46658829 -2.18041105 0.66783823 0.40719287 1.77355908 0.50799731 0.60605808 0.37192068 2.42025751 0.83998741 3.99657851 0.74507043 -2.32135231 0.44052945 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98-96-4 1046 170464703 F Pyrazinamide NC(=O)c1cnccn1 Tox21_110237_1 -NCGC00159367-04 196705501 tox21-ror-cho-viability-p1 set1 4 -0.58817821 0.91530873 -4.46211775 -0.51889969 -4.33601311 4.42982067 0.49009666 3.24857859 0.94893875 2.04175684 2.21301043 3.9033152 0.8849546 -0.16611894 0.56067444 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123-63-7 31264 170465660 F Paraldehyde CC1OC(C)OC(C)O1 Tox21_111607_1 -NCGC00249913-01 196705505 tox21-ror-cho-viability-p1 set1 4 3.21442135 -0.35293334 5.43350184 -3.34337908 0.09734016 -16.60714147 3.42206805 3.46024611 4.07639402 3.17162522 0.04122449 -8.26072332 3.57969201 9.77230764 3.99868473 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1081-50-1 5369881 170465758 Ac Ac Isoniazid pyruvate O=C(N\N=C(\C)C(=O)O)c1ccncc1 Tox21_113689 -NCGC00090789-02 196705506 tox21-ror-cho-viability-p1 set1 4 -4.54362223 -0.6399582 -4.31400183 -4.60436095 -4.08132766 1.07932657 -4.96673106 -2.39670447 -4.90253234 -1.34808187 -2.21133998 -0.86537223 2.17297676 -0.31533025 2.91776973 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00259888-01 196705898 tox21-ror-cho-viability-p1 set1 4 1.90505756 8.34506129 7.89434556 4.88874067 -1.40545244 -0.93821917 -1.62989739 3.88466327 4.97008782 5.24967398 -2.15963674 1.98646511 -0.35651101 -0.03552847 2.44518327 1.173E-9 2.6229999999E-9 5.865E-9 1.311E-8 2.9319999999E-8 6.557E-8 1.466E-7 3.279E-7 7.3309999999E-7 0.0000016389999999 0.0000036659999999 0.000008197 0.00001833 0.00004098 0.00009164 115-28-6 8266 144209537 A A Chlorendic acid ClC2(Cl)C1(Cl)C(Cl)=C(Cl)C2(Cl)C(C1C(=O)O)C(=O)O Tox21_202339 -NCGC00259622-01 196705908 tox21-ror-cho-viability-p1 set1 -2.4 61.9396194111 -38.3426038399 4 -34.3426038399 2.6384283767 0.8111561448 0.0062440988 2.69754933 7.17049916 0.69462117 9.72593983 2.20083358 7.34230575 1.26741072 2.09022991 -1.37441289 12.2426321 2.45853701 1.11047756 0.48560312 -4.93497654 -25.2855032 1.193E-9 2.667E-9 5.9649999999E-9 1.3339999999E-8 2.982E-8 6.669E-8 1.491E-7 3.3339999999E-7 7.456E-7 0.0000016669999999 0.000003728 0.000008336 0.00001864 0.00004168 0.0000932 90-30-2 7013 144209271 A A N-Phenyl-1-naphthylamine c1ccc3ccccc3c1Nc2ccccc2 Tox21_202073 -NCGC00254124-01 196714083 tox21-ror-cho-viability-p1 set2 4 -1.20803332 3.17687351 0.90112747 -0.68546933 0.24342593 4.42849159 0.06952137 1.58962292 3.70992752 0.17567153 0.29123849 3.81761193 4.77135569 4.66560299 7.45705843 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-72-2 6944 144210352 AC Ac 2-Nitrotoluene Cc1ccccc1[N+](=O)[O-] Tox21_300032 -NCGC00254557-01 196714084 tox21-ror-cho-viability-p1 set2 4 0.32843708 1.79096292 2.00150085 4.76517089 0.76091443 7.25157906 0.61330332 3.73908373 2.75608997 5.15150641 -0.28117102 6.09345434 5.82888804 6.13119858 2.24816016 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 1076-97-7 14106 144210966 I I 1,4-Cyclohexanedicarboxylic acid OC(=O)C1CCC(CC1)C(=O)O Tox21_300649 -NCGC00090750-04 196714065 tox21-ror-cho-viability-p1 set2 4 -1.91192812 1.58958706 -0.88660151 -0.17778726 -0.97241188 0.04773631 0.83553919 2.20743974 -1.02586461 -0.01488204 0.93191073 0.67454824 0.9626878 -0.09897778 -5.12250861 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00254435-01 196714066 tox21-ror-cho-viability-p1 set2 4 -1.48356151 -0.34339835 -0.68864798 -2.03882565 -2.03787551 -1.73570395 0.64167231 -1.79583172 -1.2297024 1.80656411 -1.25577544 6.46701036 2.91449899 0.44162361 3.50533934 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2550-40-5 17356 144210936 A Ac Dicyclohexyl disulfide S(SC1CCCCC1)C2CCCCC2 Tox21_300619 -NCGC00090965-04 196714088 tox21-ror-cho-viability-p1 set2 4 -1.01281589 0.06539209 -1.18113293 1.53388174 1.3295618 0.61900486 0.05640999 1.66894332 0.06295964 4.33777399 1.9758832 0.16656491 3.38009491 3.13078408 -0.36049049 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00253983-01 196714504 tox21-ror-cho-viability-p1 set2 4 -0.27938151 -0.61833524 -2.05455603 -2.00605756 -1.67659346 -7.02705122 -4.22872697 -5.77501282 -4.47169051 -3.93176076 -0.39871864 -0.99274423 -3.1625706 0.73138907 -2.0681831 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.00001889 0.00004225 0.00009447 95-65-8 7249 144210505 A A 3,4-Dimethylphenol Cc1cc(O)ccc1C Tox21_300185 -NCGC00254354-01 196714908 tox21-ror-cho-viability-p1 set2 4 1.26376565 1.18535525 -0.48144371 1.74306618 1.40450052 1.18042627 -5.6889883 1.68568048 5.03636985 1.22388433 -0.94141645 0.61459683 1.44773148 -0.31109364 0.31754422 7.456E-10 1.667E-9 3.7279999999E-9 8.336E-9 1.864E-8 4.168E-8 9.32E-8 2.0839999999E-7 4.66E-7 0.000001042 0.00000233 0.00000521 0.00001165 0.00002605 0.00005825 85532-75-8 1345 144210937 A A PK 11195 CC(CC)N(C)C(=O)c2cc1ccccc1c(n2)c3ccccc3Cl Tox21_300620 -NCGC00253922-01 196714913 tox21-ror-cho-viability-p1 set2 4 0.4023313 -1.17254751 -0.40622719 -1.16396733 -2.16985369 -9.33180387 -8.11278182 1.19181521 2.18329779 -2.51418854 -15.87704833 -12.82880661 4.07133542 0.30140397 -0.81968943 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-91-8 7965 144210358 FC Cyclohexylamine NC1CCCCC1 Tox21_300038 -NCGC00254878-01 196714915 tox21-ror-cho-viability-p1 set2 4 -4.26559514 0.22865892 -1.94046629 0.68734009 -2.19786384 -3.11371406 -3.00835068 -4.16579069 0.28362699 -5.51893336 -4.9183171 -4.14239406 -2.31988934 2.35271041 -1.70530975 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1772-25-4 15678 144211293 A A 1,3,6-Hexanetricarbonitrile N#CCCCC(CCC#N)C#N Tox21_300976 -NCGC00258768-01 196715321 tox21-ror-cho-viability-p1 set2 4 -0.03732518 -0.2523092 -1.19955606 0.51736944 0.34327116 -2.39492154 0.02750173 -0.76646314 -1.12905018 -0.17588489 0.52709225 1.0404454 -0.61444104 -1.73348829 -6.63801395 1.18E-9 2.6389999999E-9 5.9009999999E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.000001649 0.000003688 0.0000082469999999 0.00001844 0.00004124 0.000092209999999 26544-38-7 22833321 144208414 A A Dihydro-3-(tetrapropenyl)- 2,5-furandione O=C1CC(C(/C)=C/C(C)CC(C)CC(C)C)C(=O)O1 Tox21_201216 -NCGC00258206-01 196715329 tox21-ror-cho-viability-p1 set2 4 0.66388366 -1.93694508 -0.0492243 -1.53569285 -1.17828038 -0.68482729 -1.92444069 -5.18903064 -1.76024617 -1.60548497 -2.43332289 0.5666687 0.30652266 2.09030976 0.45765039 1.144E-9 2.5569999999E-9 5.7179999999E-9 1.278E-8 2.859E-8 6.392E-8 1.429E-7 3.196E-7 7.147E-7 0.000001598 0.000003573 0.00000799 0.00001787 0.00003995 0.00008934 111-66-0 8125 144207850 FNS 1-Octene C=CCCCCCC Tox21_200652 -NCGC00258463-01 196715330 tox21-ror-cho-viability-p1 set2 4 0.009727966 5.7476375319 -5.7476375319 0 4.9549173134 0.4740565186 0.2043658369 -5.60430176 -2.27508054 -8.95636461 0.96715494 1.01111489 1.63962205 -3.7155337 -1.53378199 -0.09616906 -1.76810155 1.38898918 -3.17660408 2.77710993 0.67689293 2.79134325 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004135 0.00009247 576-24-9 11334 144208107 Z Z 2,3-Dichlorophenol Oc1cccc(Cl)c1Cl Tox21_200909 -NCGC00091650-03 196715333 tox21-ror-cho-viability-p1 set2 4 54.4826732819 -26.894748168 5 -21.894748168 3.9899729863 0.9161167635 0.0001328485 6.21899963 2.18813151 3.03591712 6.70012729 5.93379489 4.05229443 1.98096998 7.25978699 2.89861077 5.9706309 5.64689361 7.87374677 6.61072916 -2.48651485 -18.66229014 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00258567-01 196715736 tox21-ror-cho-viability-p1 set2 4 -0.20106219 2.3863617 2.75895481 -3.11607513 -3.15664536 -1.28884735 -0.66999977 -0.14677277 -1.44688864 -7.032291 -4.59980596 -9.45480796 -1.84328577 1.15804897 0.00096822 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.00009229 59820-43-8 62158 144208212 A A HC Yellow 4 [O-][N+](=O)c1cc(OCCO)c(cc1)NCCO Tox21_201014 -NCGC00254169-01 196699845 tox21-ror-cho-viability-p1 set1 -2.4 26.6032120037 -25.636842828 -0.5 -26.136842828 4.4494702849 0.9719649616 3.333E-7 -1.20766334 -2.04899595 -1.76078304 -2.1103478 1.06091548 0.04076967 -1.48025562 0.08541585 -0.52615509 0.91014834 0.71945196 0.15271161 -0.3784071 -6.72836411 -23.86403569 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 8018-01-7 3034368 144210633 F Mancozeb [Mn+2].[Zn+2].[S-]C(=S)NCCNC(=S)[S-].[S-]C(=S)NCCNC([S-])=S Tox21_300314 -NCGC00254965-01 196699436 tox21-ror-cho-viability-p1 set1 4 43.0131963229 -20.019815104 2.5 -17.519815104 3.0654483358 0.7851256691 0.0107512635 3.26028957 5.67393779 -5.19364159 2.11392872 1.88564771 1.06895504 0.64847209 3.31932104 5.03457912 5.82276958 2.59618288 1.84870336 3.76286411 -7.11434267 -15.84984592 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 5598-15-2 21804 144211380 B D Chlorpyrifos oxon Clc1cc(Cl)c(Cl)nc1OP(=O)(OCC)OCC Tox21_301063 -NCGC00257527-01 196699439 tox21-ror-cho-viability-p1 set1 4 -1.53396127 -3.60448724 -1.59890905 -2.22196056 -5.85280859 -5.84671699 -2.42707676 0.00201235 -2.41121919 -7.17342279 -1.0143343 -1.76107791 2.45965733 0.27487351 0.9745872 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 118-93-4 8375 144211436 A Ac 2-Hydroxyacetophenone O=C(C)c1ccccc1O Tox21_301119 -NCGC00254460-01 196699447 tox21-ror-cho-viability-p1 set1 4 -0.5281176 -1.28539067 -1.13026101 0.41390769 -2.18035031 1.73437265 1.84096941 0.67520644 2.26746564 0.12394135 2.03185173 1.7465183 3.24797153 0.50444505 1.90634434 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-71-6 7618 144210845 FNS Triethanolamine OCCN(CCO)CCO Tox21_300527 -NCGC00254028-01 196699853 tox21-ror-cho-viability-p1 set1 4 2.1722508 0.42784851 0.90872019 -8.87435225 1.16265277 1.23784457 -0.23968736 -5.93588369 -12.5064814 0.22562075 1.1248365 -5.06910667 -5.4567571 -0.13755637 -0.26648482 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-02-0 7540 144210322 F Triphenyl phosphite O(P(Oc1ccccc1)Oc2ccccc2)c3ccccc3 Tox21_300002 -NCGC00066947-05 196699860 tox21-ror-cho-viability-p1 set1 4 1.30511606 -0.37445555 0.49191828 0.38271417 1.02096921 1.21060893 1.84968433 1.31166807 2.4658574 0.22267717 -6.51860904 -7.10496491 0.88053951 1.533784 -6.24991666 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00183861-01 196698634 tox21-ror-cho-viability-p1 set1 4 3.26864735 1.11976369 0.44738664 3.79710058 0.48285369 4.22946609 3.99741508 4.48501203 -0.79522688 0.25998272 1.24401597 5.25527971 0.62022796 3.25780453 -0.48204099 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 185517-21-9 208925 144206875 Fc Fc (2R)-2-Propyloctanoic acid O=C(O)[C@@H](CCCCCC)CCC Tox21_113324 -NCGC00093350-05 196698210 tox21-ror-cho-viability-p1 set1 4 -2.54782483 -0.04279189 1.38524199 -0.60865365 4.71162551 4.29211494 0.58449804 2.31124497 2.48018778 1.071708 0.00339624 -0.29211567 0.49382941 1.29223069 3.36237473 5.899E-12 1.319E-11 2.949E-11 6.595E-11 1.475E-10 3.2969999999E-10 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 37517-28-5 37768 170465345 F Amikacin NCC[C@H](O)C(=O)N[C@@H]3C[C@H](N)[C@@H](O[C@H]1O[C@H](CN)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H]3O[C@H]2O[C@H](CO)[C@@H](O)[C@H](N)[C@H]2O Tox21_111201_1 -NCGC00261980-01 196698620 tox21-ror-cho-viability-p1 set1 4 1.98040936 -2.71457504 -1.09492345 -1.78342399 -2.20936189 -3.08838581 -2.91169956 -3.68784728 -4.1836708 -0.52686074 -2.07637691 -3.68111403 1.22054306 -4.58373154 2.21667944 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 502-59-0 10406 170466280 Ac Fns Octamylamine CC(C)CCNC(C)CCCC(C)C Tox21_113900 -NCGC00016735-06 196698628 tox21-ror-cho-viability-p1 set1 4 1.07733442 -4.76344646 0.98327313 0.79119073 -5.16757982 -5.54728529 -0.39797537 -0.17471136 -8.07185999 0.4698077 -4.91320679 -4.77804906 -6.91082162 0.34161205 0.56189947 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3615-24-5 5037 170466589 A Ramifenazone CC(C)NC=2C(=O)N(c1ccccc1)N(C)C=2C Tox21_111412_1 -NCGC00254071-01 196699038 tox21-ror-cho-viability-p1 set1 -1.1 11.3954069943 -99.2562080535 0.233281378 -99.0229266755 1.8851180601 0.9491086785 0.0000092492 0.50566916 -1.37040854 0.44818089 0.97929115 -2.50763605 -3.55897269 -0.69577708 -0.6823017 0.5920036 -1.21999765 -4.36539205 -17.99041117 -91.68789507 -89.33807015 -85.91614065 1.115E-9 2.493E-9 5.574E-9 1.246E-8 2.7869999999E-8 6.2319999999E-8 1.394E-7 3.1159999999E-7 6.9679999999E-7 0.000001558 0.000003484 0.00000779 0.00001742 0.00003895 0.000087099999999 NOCAS_47377 60196407 144210574 A A AVE6324 Cl.Clc1ccc(s1)c5onc(Cn3c4ccc(cc4cc3C(=O)NC2CCN(CC2)C(C)C)C(=O)O[C@@H](C)OC(=O)OCC)c5 Tox21_300254 -NCGC00254585-01 196699042 tox21-ror-cho-viability-p1 set1 -2.1 13.6854287769 -103.9024666892 -0.687501598 -104.5899682872 1.9673362061 0.9250396335 0.000308613 -2.32610194 -1.94937582 0.3392453 2.64019152 -5.42474406 -4.30496089 -2.6255025 0.12963012 -0.04753881 -1.85496369 -7.32488553 -13.85834872 -79.23482446 -50.25191003 -20.56628584 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-96-5 7626 144210994 A A beta-Nitrostyrene [O-][N+](=O)C=Cc1ccccc1 Tox21_300677 -NCGC00255057-01 196719688 tox21-ror-cho-viability-p1 set3 4 8.81751961 1.20284127 9.57004868 -4.3681414 14.65627318 -0.32519274 4.64156567 8.75362538 1.04939138 1.2112442 6.2612818 -1.11888186 0.4371232 -5.80711925 1.23818752 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 107-43-7 247 144211476 A Betaine C[N+](C)(C)CC([O-])=O Tox21_301159 -NCGC00159441-03 196722529 tox21-ror-cho-viability-p1 set3 2.4 16.7854920005 23.566174772 1.433825228 25 0.6 0.832784933 0.0037017719 5.41338778 1.1142947 3.79902544 0.74530087 0.92612533 3.11124401 -0.47181231 -0.0272794 4.60199799 5.38050512 9.29639263 10.08430377 8.09986281 12.3441087 19.19388476 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17598-65-1 28620 170465236 A Deslanoside O=C1C=C(CO1)[C@H]2CC[C@@]9(O)[C@]2(C)[C@H](O)C[C@H]4[C@H]9CC[C@@H]3C[C@H](CC[C@@]34C)O[C@@H]8O[C@H](C)[C@@H](O[C@@H]7O[C@H](C)[C@@H](O[C@@H]6O[C@H](C)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)C6)[C@@H](O)C7)[C@@H](O)C8 Tox21_111671_1 -NCGC00016000-13 196722929 tox21-ror-cho-viability-p1 set3 -1.1 0.1571515804 -85.795787509 5.6516822656 -80.1441052434 2.3331733767 0.8462008166 0.0025168973 1.08872436 5.49857887 2.78607058 4.34912056 3.69385382 6.36932054 -41.4870532 -64.64022677 -71.74948847 -71.30284656 -66.31824052 -79.89824846 -81.35494245 -53.87102315 -134.9227361 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00256791-01 196718842 tox21-ror-cho-viability-p1 set2 4 110.9703829874 -12.63444762 1.5 -11.13444762 4.9549173134 0.4628780892 0.2142406881 0.66619993 -0.08459524 0.59763274 3.11833322 -0.33796659 4.82360736 5.39348946 -0.5704139 1.86634362 -4.92999321 0.23791543 4.83442992 3.27784504 1.07728245 -8.02870635 1.762E-9 3.94E-9 8.8109999999E-9 1.9699999999E-8 4.4049999999E-8 9.851E-8 2.2029999999E-7 4.9249999999E-7 0.000001101 0.000002463 0.0000055069999999 0.00001231 0.00002753 0.00006157 0.00013769999999 2224-49-9 62441 144213013 Z A Triethanolamine Laurate OCCN(CCO)CCO.CCCCCCCCCCCC(=O)O Tox21_302696 -NCGC00257043-01 196719280 tox21-ror-cho-viability-p1 set2 4 2.7306020303 8.633384576 -7.633384576 1 4.9549173134 0.3860626225 0.2852385113 -4.28619214 -6.06684681 -2.348864 2.98548307 -13.61959191 -11.34263287 -9.13349293 -5.41313074 -13.61777489 -15.52782048 5.14201908 -0.75765246 -1.62011706 -1.37933575 3.81398042 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-08-9 8783 144213383 F F Tris(2-chloroethyl) phosphite ClCCOP(OCCCl)OCCCl Tox21_303066 -NCGC00256560-01 196719288 tox21-ror-cho-viability-p1 set2 4 0.0043277126 13.6485992719 -8.1485992719 5.5 0.8999999999 0.6630994008 0.0571152592 -5.95716606 -2.17874916 -0.39314669 3.42820467 0.09507909 6.56812886 2.47676824 8.21335305 2.46054873 3.37229093 7.59729448 10.33831276 4.1806008 3.63266399 4.06269488 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76-25-5 6436 144213331 A A Triamcinolone acetonide OCC(=O)[C@@]54OC(C)(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_303014 -NCGC00254852-01 196719691 tox21-ror-cho-viability-p1 set3 4 0.0216899429 10.632506912 -12.132506912 -1.5 0.7 0.6746822423 0.0508398078 -9.81885747 -13.44375576 -6.77528732 -4.95446603 -10.36351634 -5.08398814 -4.17526664 -1.94669892 0.01567357 -2.19252661 2.03923597 -0.44971476 -4.26753479 -4.36007116 -2.14269143 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 373-49-9 445638 144211267 A A (Z)-Hexadec-9-enoic acid O=C(O)CCCCCCC/C=C\CCCCCC Tox21_300950 -NCGC00259513-01 196708399 tox21-ror-cho-viability-p1 set2 -2.1 60.8819825247 -106.5426315555 -1.7326025709 -108.2752341264 2.2481167061 0.9910907426 4E-10 -0.39296608 -1.39950968 0.29933319 -0.58596808 -2.21349849 0.0318935 -2.65606921 -2.07104173 -1.68458061 -2.35619394 -1.66342828 -6.35440265 -12.60861597 -31.85543281 -82.02669252 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.315E-8 2.94E-8 6.573E-8 1.4699999999E-7 3.2869999999E-7 7.3489999999E-7 0.000001643 0.0000036749999999 0.000008217 0.00001837 0.00004108 0.00009187 169590-42-5 2662 144209162 A A Celecoxib NS(=O)(=O)c1ccc(cc1)n3nc(cc3c2ccc(C)cc2)C(F)(F)F Tox21_201964 -NCGC00256770-01 196707580 tox21-ror-cho-viability-p1 set1 4 0.24251709 1.90622752 1.53328091 -5.09851216 -5.98384199 1.70735269 0.15973884 -9.20232795 1.56042542 2.379446 0.05433602 2.49806961 2.45670632 -4.7282376 -4.07808753 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 774-55-0 69885 144212986 A C 6-Acetyl-1,2,3,4-tetrahydronaphthalene CC(=O)c1ccc2CCCCc2c1 Tox21_302669 -NCGC00257398-01 196707581 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -24.25388344 2 -22.25388344 4.9549173134 0.8433593054 0.0027669888 2.6847601 1.46133648 1.78688915 -0.89450343 -1.1943015 0.56114927 4.19342552 2.54568103 3.71741577 1.19361555 1.11160803 -1.05646734 5.41694212 2.98965869 -16.8782362 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19780-11-1 5362708 144213711 A A (2-Dodecenyl)succinic anhydride O=C1OC(=O)CC1C/C=C/CCCCCCCCC Tox21_303400 -NCGC00256877-01 196708003 tox21-ror-cho-viability-p1 set1 4 2.18855736 2.57457223 -1.37978554 1.19491843 4.02146724 -0.99657337 3.43043683 0.25613738 -1.99784656 3.40425294 2.70820168 1.12892472 1.0020612 3.88971617 1.47161366 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1076-56-8 14104 144212892 A Ac 2-Methoxy-4-methyl-1-(propan-2-yl)benzene COc1cc(C)ccc1C(C)C Tox21_302575 -NCGC00259571-01 196708405 tox21-ror-cho-viability-p1 set2 4 5.16967227 2.46257087 6.2713766 0.78554523 2.06405592 0.32730153 3.09488791 -0.45208897 2.15818962 -1.11706486 2.28941193 0.61269495 5.21895219 4.8498753 2.84261792 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.00009175 968-81-0 1989 144209220 A A Acetohexamide O=C(NC1CCCCC1)NS(=O)(=O)c2ccc(cc2)C(C)=O Tox21_202022 -NCGC00259285-01 196708820 tox21-ror-cho-viability-p1 set2 4 76.6458749207 -24.9882824 1 -23.9882824 4.9549173134 0.9359568766 0.0000325423 4.17632315 0.33592282 1.58505528 0.13331741 1.3452129 0.26366238 -0.37531159 0.48532987 0.88956262 0.21766961 1.68298419 2.50039046 2.54066536 -0.37410987 -16.656902 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.2869999999E-7 7.351E-7 0.0000016439999999 0.0000036749999999 0.000008218 0.000018379999999 0.00004109 0.00009188 2971-36-0 76302 144208934 A A 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane Oc1ccc(cc1)C(c2ccc(O)cc2)C(Cl)(Cl)Cl Tox21_201736 -NCGC00090962-05 196724626 tox21-ror-cho-viability-p1 set3 4 -4.90401864 -0.11944624 1.64860902 5.09320826 1.79444783 2.67567495 0.6828204 -0.10462735 -5.85796779 -8.20061711 -4.08331722 2.57483741 1.39772634 -4.02050972 -9.15467768 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00091426-02 196724211 tox21-ror-cho-viability-p1 set3 -2.2 27.3060203028 -55.5285248836 0.4339811729 -55.0945437107 1.4780888099 0.9466994038 0.0000119158 -5.38455227 0.51728642 0.19784333 2.92457218 -3.1772538 4.01220031 6.64592973 0.17414353 -1.88259785 1.20444035 -2.69822905 -12.69512381 -17.57237892 -32.46478943 -54.01425854 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00357226-01 196724212 tox21-ror-cho-viability-p1 set3 4 0.0343762429 15.837064248 -8.837064248 7 0.4 0.7474868676 0.0204024723 -5.65551371 -3.49047408 -4.96254944 -5.69755354 -0.78529173 5.53578809 1.56124061 1.24558127 2.16089116 2.03565464 4.36804983 7.13993015 8.1036056 1.89675243 8.28174282 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1121-78-4 14275 251919854 A 6-Methyl-3-hydroxypyridine Oc1cnc(C)cc1 Tox21_304013 -NCGC00260556-01 196724216 tox21-ror-cho-viability-p1 set3 4 0.0009439176 14.6885022159 -14.6885022159 0 3.9899729863 0.5484081438 0.1375531363 -12.65708518 -3.72582384 6.25107618 1.10001308 4.08228344 -0.03154095 0.41427166 4.28889121 -4.32168111 -2.25232001 -1.57089836 0.11954848 -3.3817785 -2.41314735 -2.40785114 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49452 144210209 M M NTP Mix64 CT1 62-EQP Tox21_203011 -NCGC00357171-01 196724634 tox21-ror-cho-viability-p1 set3 4 -6.08701707 2.01092793 4.44951251 4.9986331 6.97545192 0.72555532 0.72274085 -2.6740152 -0.87683807 0.08544907 0.78995847 -1.06402447 -5.28991492 0.21219026 -2.12068283 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4856-95-5 6327109 251919904 Bc Borane - morpholine complex B.C1CNCCO1 Tox21_303932 -NCGC00344531-01 196725039 tox21-ror-cho-viability-p1 set3 4 37.5780357627 22.608734156 1.391265844 24 4.9549173134 0.6124787978 0.0883545044 4.2741652 2.34577846 2.07893842 -1.13032081 2.47828691 -0.70787905 3.18282008 1.39041868 -5.92394513 2.92255306 9.92972807 1.99767728 -2.93598701 0.5550119 18.89510899 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23651-95-8 6999030 170465890 Z Droxidopa Oc1ccc(cc1O)[C@H](O)[C@H](N)C(=O)O Tox21_112167_1 -NCGC00182543-02 196725044 tox21-ror-cho-viability-p1 set3 4 0.44466001 -2.87230539 -1.29454823 -0.7593363 0.7456805 -2.95164074 -4.28734078 -2.62077459 -3.58824731 -3.85027218 -3.46836936 -2.40414822 -4.57499809 1.75804857 -1.44545581 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14293-44-8 26618 170466623 A Xipamide O=S(N)(=O)c1cc(c(O)cc1Cl)C(=O)Nc2c(C)cccc2C Tox21_112975_1 -NCGC00257611-01 196716572 tox21-ror-cho-viability-p1 set2 4 -1.0721601 -1.62851021 -3.45776503 1.10029782 0.3068732 -1.71613995 -2.20821394 -7.96534254 -2.68677782 -1.93876249 -3.89442546 -3.54413027 -1.05761225 0.32305314 -2.97000334 1.1999999999E-9 2.684E-9 6.002E-9 1.3419999999E-8 3.0009999999E-8 6.71E-8 1.5E-7 3.355E-7 7.5019999999E-7 0.000001677 0.0000037509999999 0.000008387 0.00001875 0.000041939999999 0.000093769999999 79-20-9 6584 144207255 AC Ac Methyl acetate CC(=O)OC Tox21_200057 -NCGC00257598-01 196716567 tox21-ror-cho-viability-p1 set2 4 -2.66390017 -0.33976754 -3.39525645 0.9943328 -0.93761855 -1.55312831 -1.19214086 -1.35780283 -2.0209579 -2.25069221 -0.3826374 0.29221295 0.03157276 -1.11106168 -1.63200466 1.214E-9 2.716E-9 6.072E-9 1.358E-8 3.036E-8 6.789E-8 1.518E-7 3.395E-7 7.59E-7 0.000001697 0.0000037949999999 0.000008486 0.00001898 0.00004243 0.000094879999999 846-50-4 5391 144207242 A A Temazepam Clc1ccc2c(c1)C(=NC(O)C(=O)N2C)c3ccccc3 Tox21_200044 -NCGC00091086-02 196716568 tox21-ror-cho-viability-p1 set2 4 -0.24810824 -1.94911388 -5.35243037 -2.86932334 1.39000218 -4.26724701 -0.65540145 -1.70735287 -1.87890611 1.78905063 -3.96604561 -2.4268482 2.62126371 1.82160057 3.55310933 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00258694-01 196716581 tox21-ror-cho-viability-p1 set2 4 2.71252147 2.99732388 2.84969009 0.25529777 1.09920694 5.2553135 1.40432048 0.27066369 1.65184947 2.39775121 2.14693606 4.64011209 3.07327552 -0.07585442 2.43207998 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.934E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091699999999 483-84-1 10226 144208340 A F 8-Hydroxy-5,7-dinitro-2-naphthalenesulfonic acid [O-][N+](=O)c1cc(c2ccc(cc2c1O)S(=O)(=O)O)[N+]([O-])=O Tox21_201142 -NCGC00258573-01 196716583 tox21-ror-cho-viability-p1 set2 4 3.73699213 1.1297466 -5.59568842 1.63537434 0.48639699 0.09592391 -0.0044151 -0.81188249 3.99990041 0.32413036 0.12415421 -0.03658122 -0.71466621 2.97611663 -0.25912732 1.173E-9 2.6229999999E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.557E-8 1.466E-7 3.2779999999E-7 7.3309999999E-7 0.0000016389999999 0.000003665 0.0000081959999999 0.00001833 0.00004098 0.000091629999999 552-16-9 11087 144208218 A A 2-Nitrobenzoic acid O=[N+]([O-])c1ccccc1C(=O)O Tox21_201020 -NCGC00254716-01 196714922 tox21-ror-cho-viability-p1 set2 4 0.96983952 14.081211764 -7.081211764 7 0.4 0.7910449708 0.0096445412 -7.56767647 -4.68574396 -4.98995484 -6.84167043 -0.12955137 -4.57315648 -7.07137136 -0.14836198 0.63019679 3.08510476 0.61881067 1.41233484 3.44850262 4.09769106 6.22205262 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.00000369 0.000008252 0.000018449999999 0.000041259999999 0.00009226 10339-55-6 6433547 144211129 B Ethyl linalool CC(O)(CC\C=C(/C)CC)C=C Tox21_300812 -NCGC00254725-01 196714111 tox21-ror-cho-viability-p1 set2 4 2.54484495 -1.53514085 4.06299562 -1.5565504 -0.87333754 0.03501508 3.366825 2.55503593 4.09713387 0.01087068 -0.93370834 2.43158869 5.70813894 -0.25641636 0.41442412 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87546-18-7 443048 144211138 A A Flumiclorac-pentyl O=C(OCCCCC)COc1cc(c(F)cc1Cl)N3C(=O)C=2CCCCC=2C3=O Tox21_300821 -NCGC00254084-01 196714507 tox21-ror-cho-viability-p1 set2 4 3.94897685 -0.80157118 0.30773436 -1.21929978 3.83773195 0.27288204 -0.38805567 1.40180318 2.40510007 2.47868385 2.07095814 3.41258862 3.66088205 -0.37538365 4.4031641 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 118-52-5 8360 144210504 D Fns 1,3-Dichloro-5,5-dimethylhydantoin O=C1N(Cl)C(=O)N(Cl)C1(C)C Tox21_300184 -NCGC00255083-01 196714528 tox21-ror-cho-viability-p1 set2 4 -0.12134171 1.0711554 0.30473084 0.39709128 0.18828349 1.30448637 0.12796948 0.0243095 0.82715124 0.81647557 0.19517031 4.59800726 1.3217209 0.39449665 -3.32889931 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 94361-06-5 86132 144211502 I I Cyproconazole OC(Cn1cncn1)(C(C)C2CC2)c3ccc(Cl)cc3 Tox21_301185 -NCGC00254012-01 196714933 tox21-ror-cho-viability-p1 set2 4 -0.93761565 -0.95290967 2.07071454 -1.96266558 -0.23145965 -5.65809379 -0.41904683 -4.6230775 -0.9228225 -6.62479091 -0.26137185 -0.80525134 -2.93752369 -7.45018604 -4.67774333 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47330 9865233 144210545 A A PharmaGSID_47330 N#Cc1cccc(F)c1c2cc(ccc2F)c3cnc4nc(cnn34)C(C)(C)O Tox21_300225 -NCGC00258332-01 196715340 tox21-ror-cho-viability-p1 set2 4 1.217989 0.3199254 1.19491298 1.97859139 3.60958106 3.07512236 2.22035628 -11.70888215 4.04911699 0.67389823 2.64319096 -0.74647968 -0.19207231 -0.16568512 1.60069482 1.164E-9 2.603E-9 5.8199999999E-9 1.301E-8 2.91E-8 6.507E-8 1.4549999999E-7 3.254E-7 7.275E-7 0.0000016269999999 0.0000036379999999 0.000008134 0.00001819 0.00004067 0.00009094 79-36-7 6593 144207976 D Dichloroacetyl chloride ClC(Cl)C(Cl)=O Tox21_200778 -NCGC00257957-01 196715341 tox21-ror-cho-viability-p1 set2 4 54.9262221145 -18.967663984 -0.5 -19.467663984 3.1319983358 0.769364128 0.0143503738 0.72447136 -1.48900493 0.28484313 -0.39940881 -5.97752757 -5.52735558 0.40328055 1.95932099 1.05315731 -0.62027105 -0.59712976 1.39557162 -0.39598467 -6.07740168 -16.22305332 1.188E-9 2.657E-9 5.942E-9 1.3289999999E-8 2.971E-8 6.6429999999E-8 1.4849999999E-7 3.321E-7 7.427E-7 0.0000016609999999 0.000003714 0.000008304 0.00001857 0.00004152 0.00009284 148-18-5 533728 144207601 BC F Sodium diethyldithiocarbamate [Na+].CCN(CC)C([S-])=S Tox21_200403 -NCGC00258392-01 196715343 tox21-ror-cho-viability-p1 set2 4 1.48303407 1.62687428 3.27424575 0.96013563 1.88097001 3.21301876 3.26088772 1.27245158 3.05755408 -0.02390486 1.48770084 2.94593473 0.48097179 0.92420145 0.93256361 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_31209 6410 144208036 A A tert-Butyl hydroperoxide (70% Solution in Water) CC(C)(C)OO Tox21_200838 -NCGC00255918-01 196700305 tox21-ror-cho-viability-p1 set1 4 1.70143484 -8.94822964 2.73358546 -0.15717217 2.30450453 1.6417786 1.72793128 -0.76923302 2.44152044 -0.98507596 2.83760293 0.40922794 2.03682097 2.20341003 0.00630756 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2631-40-5 17517 144211678 A A Isoprocarb O=C(Oc1ccccc1C(C)C)NC Tox21_301361 -NCGC00255204-01 196701110 tox21-ror-cho-viability-p1 set1 -2.4 4.2163249602 -29.819960688 2 -27.819960688 0.5 0.8575904947 0.0017763508 6.6465527 1.61134041 -0.83459372 -0.56240853 -3.16300995 -1.03875273 1.10052452 -0.00782241 -11.50600162 -1.82883337 -10.97141907 -12.84869489 -15.18093401 -21.09996724 -19.32093659 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26264-06-2 24180685 144212705 F Calcium dodecylbenzene sulfonate [Ca+2].O=S([O-])(=O)c1ccc(cc1)C(CC)CCCCCCCCC.CCC(CCCCCCCCC)c1ccc(cc1)S([O-])(=O)=O Tox21_302388 -NCGC00258122-01 196701509 tox21-ror-cho-viability-p1 set1 -1.1 27.6117615216 -82.7875271031 -2.32587157 -85.1133986731 4.9549173134 0.9811247724 3.4E-8 0.07623011 -4.47411257 -2.9268681 -0.48317789 -8.02795055 -9.38587596 2.13519841 -0.28382796 -4.15190709 -6.26491674 0.51501955 1.10401143 -10.86886529 -80.18208459 -81.12351729 1.191E-9 2.663E-9 5.955E-9 1.332E-8 2.978E-8 6.6579999999E-8 1.489E-7 3.3289999999E-7 7.4439999999E-7 0.000001665 0.0000037219999999 0.000008323 0.00001861 0.000041609999999 0.00009305 4345-03-3 20353 144207766 A F D-alpha-Tocopheryl succinate O=C(O)CCC(=O)Oc2c(C)c(C)c1O[C@@](C)(CCc1c2C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C Tox21_200568 -NCGC00258537-01 196701517 tox21-ror-cho-viability-p1 set1 4 0.3943531928 -14.847629844 0.5 -14.347629844 0.3 0.505603079 0.1909582883 -1.47606622 -3.82749856 3.43605394 -7.00519332 -5.7227715 -7.76857106 -5.02782518 -9.469814 -0.94639099 -6.20264538 -12.11964248 -11.18396019 -12.37302487 -9.83012452 -6.19992392 1.202E-9 2.688E-9 6.01E-9 1.344E-8 3.005E-8 6.719E-8 1.5019999999E-7 3.36E-7 7.5119999999E-7 0.0000016799999999 0.0000037559999999 0.0000083989999999 0.00001878 0.00004199 0.0000939 107-02-8 7847 144208182 FNS Acrolein C=CC=O Tox21_200984 -NCGC00254523-01 196699881 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -59.5019482418 -0.873899299 -60.3758475408 3.6272481694 0.9816898598 2.85E-8 2.99971455 -2.61258783 -0.58038316 0.51969236 -0.67117718 -2.61200833 -1.02105442 0.32748443 -0.00289869 0.17942969 -0.65362209 -3.49305822 -2.77158391 -9.12262325 -45.73927844 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76-44-8 3589 144210852 A A Heptachlor ClC2=C(Cl)C3(Cl)C1C=CC(Cl)C1C2(Cl)C3(Cl)Cl Tox21_300534 -NCGC00256142-01 196700282 tox21-ror-cho-viability-p1 set1 4 -1.19506189 2.36477794 0.59643799 1.62294569 3.7663231 1.82152033 1.83458907 1.93557035 -0.63215381 2.41579632 -1.57364251 1.44497129 -1.56508676 -0.27966513 -0.21331073 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119313-12-1 86171 144212024 D 2-Benzyl-2-(dimethylamino)-1-[4-(morpholin-4-yl)phenyl]butan-1-one CN(C)C(Cc1ccccc1)(CC)C(=O)c2ccc(cc2)N3CCOCC3 Tox21_301707 -NCGC00256095-01 196700300 tox21-ror-cho-viability-p1 set1 4 -4.30251321 -1.61033937 -1.86352292 2.52167473 0.03338467 -5.0598524 -0.29860221 -3.12655509 0.35559246 -2.61120263 -3.5454956 -3.88421775 -8.35332559 -2.27369551 -5.5721869 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23305-64-8 11355992 144211544 F B 2-[2-(2-Propoxyethoxy)ethoxy]ethanol OCCOCCOCCOCCC Tox21_301227 -NCGC00255907-01 196700711 tox21-ror-cho-viability-p1 set1 4 4.41513576 -0.95696148 0.00507892 1.9962916 4.71281211 1.20167215 0.92224122 1.11996706 -0.97993199 0.12704464 0.25243079 0.88589595 1.15720492 3.36237091 3.82398342 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-14-1 8164 144212613 A Ac Octyl acetate CCCCCCCCOC(C)=O Tox21_302296 -NCGC00256035-01 196700712 tox21-ror-cho-viability-p1 set1 4 0.6113056486 4.663830296 -3.663830296 1 4.9549173134 0.4209123871 0.2540297757 -3.85714829 -3.5463092 -2.93496998 -5.96985858 2.49512039 -2.82722434 -5.59197925 -5.78680197 0.11528954 4.15744794 0.72622768 -2.86486475 -0.90653827 0.18785691 5.59344186 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 38661-72-2 53172 144211978 F F 1,3-Bis(isocyanatomethyl)cyclohexane O=C=N\CC1CCCC(C\N=C=O)C1 Tox21_301661 -NCGC00255761-01 196700720 tox21-ror-cho-viability-p1 set1 -2.4 17.2289340586 -27.555842984 -5.833614696 -33.38945768 0.6 0.7888967883 0.0099612737 -11.20579777 -3.1712681 -6.05414591 -6.28583234 -2.36134558 -7.0062962 -6.55774313 -5.79426965 -9.3773278 -16.31344583 -15.74678478 -7.41355182 -22.12458527 -25.10323818 -26.1578814 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2398-96-1 5510 144211680 A A Tolnaftate Cc1cc(ccc1)N(C)C(=S)Oc2ccc3ccccc3c2 Tox21_301363 -NCGC00090965-04 196701117 tox21-ror-cho-viability-p1 set1 4 -1.57816699 -0.58703337 -2.50902052 -2.65770975 -0.98665436 -1.65992741 -0.90131442 -2.40784894 -1.96106452 2.43758973 1.4026087 0.38084389 2.69353277 2.80036333 6.63803647 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00255240-01 196701118 tox21-ror-cho-viability-p1 set1 4 0.0048557734 4.508252616 -3.008252616 1.5 3.1319983358 0.4400451593 0.2389563125 -1.53441603 -5.00687718 1.20164814 -0.13057168 1.25414952 4.97892976 1.63880115 2.59689642 1.05943302 -0.50960811 1.20545688 0.93075577 0.62125597 0.47452218 5.58428127 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 115-90-2 8292 144212175 A A Fensulfothion O=S(C)c1ccc(OP(=S)(OCC)OCC)cc1 Tox21_301858 -NCGC00259040-01 196721330 tox21-ror-cho-viability-p1 set3 4 31.0121236216 9.950135824 -4.950135824 5 4.0949729863 0.7934756022 0.0092746542 -7.45844652 -4.27548156 -4.87836458 -6.21319875 -2.76913919 -6.8890313 -4.07138091 -5.71623445 -7.10279923 -1.68975112 -3.66782375 -5.75288775 -3.76196266 2.33854628 5.26172122 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 839-90-7 13286 144208687 A A Tris(2-hydroxyethyl) isocyanurate OCCN1C(=O)N(CCO)C(=O)N(CCO)C1=O Tox21_201489 -NCGC00259480-01 196721335 tox21-ror-cho-viability-p1 set3 4 -16.90694542 -5.87705908 -7.62086237 -13.16901137 -9.59480503 -11.27090304 -17.63901387 -9.38112601 -14.60507208 2.34773138 -12.91936255 -12.95862961 -7.87402403 -6.36386664 -22.28557097 1.159E-9 2.5929999999E-9 5.797E-9 1.2959999999E-8 2.8989999999E-8 6.481E-8 1.449E-7 3.241E-7 7.246E-7 0.00000162 0.000003623 0.000008102 0.00001812 0.00004051 0.000090579999999 58-90-2 6028 144209129 A A 2,3,4,6-Tetrachlorophenol Clc1cc(Cl)c(Cl)c(Cl)c1O Tox21_201931 -NCGC00258989-01 196720941 tox21-ror-cho-viability-p1 set3 4 -6.3107958 0.69235181 2.1558937 -5.30288004 -3.61183179 -3.00614541 -1.88337907 -1.78540282 -2.33043958 3.71672721 -3.64339108 -1.53716031 -2.92146504 0.25901783 -6.15070955 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.3529999999E-7 0.0000016439999999 0.0000036769999999 0.000008221 0.000018379999999 0.00004111 0.00009192 330-54-1 3120 144208636 A A Diuron Clc1ccc(NC(=O)N(C)C)cc1Cl Tox21_201438 -NCGC00018221-08 196720949 tox21-ror-cho-viability-p1 set3 4 15.5428804468 -11.3115438599 9.5 -1.8115438599 4.9549173134 0.4800942905 0.1965961692 11.7298809 14.03676828 11.91644077 6.14938049 9.12509402 9.05832792 2.80403105 13.4283809 14.87776119 4.63319872 0.42427783 13.57280218 0.77583793 -3.17628655 0.02074913 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00091902-08 196721338 tox21-ror-cho-viability-p1 set3 4 17.2289340586 7.9201522039 -4.9201522039 3 4.9549173134 0.4318698582 0.242442548 1.03172284 -6.54629923 -8.01639619 -3.58650274 -5.78505137 -1.42195817 -8.82349244 -3.55638516 -6.84554942 0.67505817 -5.37247952 -11.18346017 0.09335223 4.83884215 1.41295771 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00259672-01 196721349 tox21-ror-cho-viability-p1 set3 4 14.08914095 21.93598047 -1.98609579 4.77487903 13.0966233 13.00654871 12.9502575 10.23934759 11.05635237 5.05748744 5.52809696 14.6390342 12.46286265 4.24207154 6.97778276 1.167E-9 2.609E-9 5.835E-9 1.305E-8 2.917E-8 6.524E-8 1.459E-7 3.262E-7 7.294E-7 0.000001631 0.0000036469999999 0.0000081549999999 0.00001823 0.00004077 0.00009117 828-00-2 13232 144209321 D Dimethoxane O=C(C)OC1CC(C)OC(C)O1 Tox21_202123 -NCGC00258882-01 196721738 tox21-ror-cho-viability-p1 set3 4 -10.00719313 -8.4076956 -10.44695018 3.93567387 -0.43487827 -11.98710674 0.8947333 -8.40588503 -8.98744724 -3.71131835 1.43960458 -8.54740581 -2.84447528 1.45885058 6.37260788 1.163E-9 2.5999999999E-9 5.813E-9 1.2999999999E-8 2.9069999999E-8 6.5E-8 1.453E-7 3.25E-7 7.267E-7 0.000001625 0.0000036329999999 0.000008124 0.00001817 0.000040619999999 0.00009083 121-73-3 8489 144208528 BC 1-Chloro-3-nitrobenzene O=[N+]([O-])c1cc(Cl)ccc1 Tox21_201330 -NCGC00259477-01 196721745 tox21-ror-cho-viability-p1 set3 2.4 24.3117693128 31.3857949239 -7.3857949239 24 1.59358881 0.8184250627 0.0052697896 -14.07149577 -9.09979259 -3.39805202 0.57275547 -6.56442545 -13.78113916 -11.69427968 -8.60228947 -5.90759189 0.29933666 -3.88945512 -3.53728914 3.39029688 14.51372853 21.67340572 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.000001648 0.000003684 0.000008238 0.00001842 0.00004119 0.000092099999999 1465-25-4 15106 144209126 C C N-(1-Naphthyl)ethylenediamine dihydrochloride Cl.Cl.NCCNc2cccc1ccccc12 Tox21_201928 -NCGC00259213-01 196722136 tox21-ror-cho-viability-p1 set3 4 17.2639818955 10.2608024239 -4.2608024239 6 0.4 0.4353048794 0.2407912232 -2.32067271 -4.72902172 0.33033034 -9.38400202 -4.70940071 -2.45929416 -2.71060871 -1.01805951 -2.94306952 0.21257266 -1.27897754 0.36664152 -2.48286658 5.34253344 1.43648866 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004129 0.000092319999999 122-42-9 24685 144208862 A A Propham CC(C)OC(=O)Nc1ccccc1 Tox21_201664 -NCGC00259776-01 196722148 tox21-ror-cho-viability-p1 set3 4 24.5594267516 13.0204213439 -8.5204213439 4.5 2.9522712143 0.3763935308 0.294417195 -8.39958914 -11.09892636 -1.28041184 -2.8465505 -6.54421419 -22.10035112 -9.75964703 -10.45517851 -11.79175545 1.96118931 -13.61362057 -8.53224997 -3.94861027 1.80041158 4.89455059 1.189E-9 2.6589999999E-9 5.945E-9 1.3289999999E-8 2.9719999999E-8 6.646E-8 1.486E-7 3.323E-7 7.4309999999E-7 0.000001662 0.0000037149999999 0.0000083079999999 0.000018579999999 0.00004154 0.000092879999999 116-06-3 2086 144209425 A A Aldicarb CC(C)(\C=N\OC(=O)NC)SC Tox21_202227 -NCGC00262955-01 196722547 tox21-ror-cho-viability-p1 set3 4 -0.94574097 0.15177673 1.75327206 -3.04731682 0.36172614 -1.37981368 -0.72869087 0.24909788 2.13931565 -8.83051632 0.73499679 4.5911497 0.6217987 1.37730407 -1.86761458 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 485-89-2 10239 170466564 A F Oxycinchophen O=C(O)c1c3ccccc3nc(c1O)c2ccccc2 Tox21_113947 -NCGC00016551-04 196722554 tox21-ror-cho-viability-p1 set3 4 0.26603212 16.0484924999 -9.5484924999 6.5 4.9549173134 0.5927892998 0.101922103 -9.19966251 -7.92498188 2.79968544 -8.62126784 -19.65701969 0.88278526 -23.37374375 -10.59727254 6.8989725 8.65109327 8.77611599 1.91741541 3.20182863 4.72361013 10.88774146 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 956-03-6 101925 170466009 A Meprylcaine hydrochloride Cl.CC(C)(COC(=O)c1ccccc1)NCCC Tox21_110489_1 -NCGC00163778-09 196726305 tox21-ror-cho-viability-p1 set3 4 0.0011883218 -22.474698008 12 -10.474698008 0.9999999999 0.6381122451 0.0714383401 7.99201469 0 -10.25614547 -7.08875366 -0.10821504 -9.02107089 -6.4602657 -10.10053046 -14.41481123 -14.56224834 -12.64867772 -10.6021575 -8.65282702 -12.8580428 -8.08741842 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58594-72-2 173636 170466809 A Imazalil sulfate O=S(=O)(O)O.Clc2ccc(C(OCC=C)Cn1ccnc1)c(Cl)c2 Tox21_112071_1 -NCGC00182992-01 196725886 tox21-ror-cho-viability-p1 set3 4 3.7578035763 11.1570816279 -3.1570816279 8 2.4729283767 0.7007776783 0.0379347838 -2.74809375 -3.67966498 -9.71423469 -5.90813289 -5.57883307 -0.54063014 3.32098527 -0.42681395 -1.79499601 -4.38655927 -0.54026297 2.7351638 7.52688422 7.56591473 7.81007377 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 110958-19-5 198695 144206891 A A Fasoracetam O=C([C@H]1CCC(=O)N1)N2CCCCC2 Tox21_113340 -NCGC00016513-05 196726287 tox21-ror-cho-viability-p1 set3 4 -11.21555333 -6.24989786 0.39958589 1.42343665 -5.35746359 -7.1902092 -8.27366339 -1.06948294 -2.52961144 -6.14343943 1.66005782 3.32913245 -0.13603139 -7.80595407 3.52837575 5.899E-11 1.319E-10 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 581-88-4 11391 170466238 Z Debrisoquin sulfate O=S(=O)(O)O.N=C(N)N1Cc2ccccc2CC1.N=C(N)N1Cc2ccccc2CC1 Tox21_110468_1 -NCGC00016666-06 196726304 tox21-ror-cho-viability-p1 set3 2.4 33.4914596268 31.345091576 -5.345091576 26 4.9549173134 0.7696832888 0.0141595832 -7.03242197 -10.70424298 -10.03248744 -3.26493626 -7.61891851 -2.8801319 1.42899783 -7.3673107 -5.78515597 -0.72566427 -0.52048364 -7.86501654 -1.94150633 -5.533449 21.23796821 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5985-00-2 6419942 170465806 C Hydrocotarnine hydrobromide Br.CN1Cc2c(OC)c3OCOc3cc2CC1 Tox21_110552_1 -NCGC00257430-01 196726698 tox21-ror-cho-viability-p1 set3 -1.2 6.0033919965 -36.4047052635 -0.5270211649 -36.9317264284 4.9549173134 0.983286941 1.68E-8 -3.53338889 -4.05774175 0.76176717 -1.19202612 2.83342792 -1.49140268 -0.12630361 2.00762762 0.00148478 -3.44000828 0 -27.33296891 -36.96316485 -35.95684461 -37.43678373 1.056E-9 2.3609999999E-9 5.279E-9 1.18E-8 2.6399999999E-8 5.902E-8 1.32E-7 2.9509999999E-7 6.599E-7 0.000001476 0.0000032999999999 0.0000073779999999 0.000016499999999 0.00003689 0.000082489999999 66-81-9 6197 144213954 A A Cycloheximide O=C2CC(C[C@@H](O)[C@@H]1C[C@@H](C)C[C@H](C)C1=O)CC(=O)N2 Tox21_303652 -NCGC00257146-01 196726701 tox21-ror-cho-viability-p1 set3 4 2.88418581 0.85169725 0.24405085 3.42548349 3.17337715 2.51689874 0.99185794 4.57945062 6.31988577 3.32119408 5.60213169 4.19171983 2.18686813 5.4361232 4.05503258 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 125-33-7 4909 144213511 A A Primidone CCC1(C(=O)NCNC1=O)c2ccccc2 Tox21_303194 -NCGC00256730-01 196726704 tox21-ror-cho-viability-p1 set3 4 0.80812167 -2.17066269 0.31958232 -0.52095397 -0.63506911 5.08997759 5.14903347 4.95510615 3.20171208 0.16487036 -19.31286933 -1.78498807 -1.87572739 3.52054479 5.46888992 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26576-46-5 117822 144212984 A A 3-Oxo-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)butanamide CC(=O)CC(=O)Nc1ccc2NC(=O)Nc2c1 Tox21_302667 -NCGC00257004-01 196727114 tox21-ror-cho-viability-p1 set3 -1.1 8.6349217992 -55.7918015277 -5.635437657 -61.4272391847 2.7202212143 0.8935369966 0.0007748512 1.23656251 0.9980056 -6.15301326 -20.32256506 -18.0238516 -9.9502389 0 -0.28182673 -3.03293837 -1.10802618 -10.61579607 -32.58308089 -54.90821626 -60.11781406 -1.51690672 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 138-89-6 8749 144213366 A A N,N-Dimethyl-4-nitrosoaniline CN(C)c1ccc(N=O)cc1 Tox21_303049 -NCGC00256978-01 196727124 tox21-ror-cho-viability-p1 set3 4 0.216899429 -5.5741011759 0 -5.5741011759 4.9549173134 0.3499229196 0.3367209822 -0.39098649 0.53449557 -1.04209047 1.86084842 -1.58120179 -1.56165212 1.76117045 -9.46467548 -8.62424911 -13.81175098 -5.3099636 -1.87953719 1.87343108 -2.5667948 -0.19861792 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107-98-2 7900 144213586 Bc 1-Methoxy-2-propanol CC(O)COC Tox21_303269 -NCGC00256791-01 196727133 tox21-ror-cho-viability-p1 set3 4 -0.99276298 -4.7622797 -4.36492159 -4.93213814 0.3167592 -0.68239493 -1.73612379 2.51714934 4.13824913 4.1709033 3.88378578 0.69433736 -0.13397541 1.77597267 1.81262418 1.762E-9 3.94E-9 8.8109999999E-9 1.9699999999E-8 4.4049999999E-8 9.851E-8 2.2029999999E-7 4.9249999999E-7 0.000001101 0.000002463 0.0000055069999999 0.00001231 0.00002753 0.00006157 0.00013769999999 2224-49-9 62441 144213013 Z A Triethanolamine Laurate OCCN(CCO)CCO.CCCCCCCCCCCC(=O)O Tox21_302696 -NCGC00357131-01 196724716 tox21-ror-cho-viability-p1 set3 4 1.39693032 0.06824649 4.9561682 1.76974353 -6.90028861 -5.57924343 1.7700441 4.54650251 1.19118921 -4.73881215 1.31027941 -1.13926597 -0.2576709 -1.12823056 -8.38349782 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 526-73-8 10686 251919826 Ac 1,2,3-Trimethylbenzene Cc1cccc(C)c1C Tox21_303868 -NCGC00260404-01 196724295 tox21-ror-cho-viability-p1 set3 4 -3.00940922 0.71198397 0.38097747 -2.94801793 -2.46690508 -2.943946 4.02851046 -0.41995972 -0.40855057 1.86985984 3.13823762 1.55757523 3.96500111 4.733098 3.17315669 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.000041429999999 0.000092629999999 621-59-0 12127 144210056 A A 3-Hydroxy-4-methoxy-benzaldehyde Oc1cc(ccc1OC)C=O Tox21_202858 -NCGC00257925-01 196716183 tox21-ror-cho-viability-p1 set2 -1.1 12.4332028614 -95.3992910854 -5.937655805 -101.3369468904 1.6266150999 0.9626637459 0.0000016657 -17.51097634 -0.95873197 -16.99563548 -13.42679191 -2.73557875 -3.53963147 -4.46267652 -4.01929657 -4.11810568 -2.44079866 -14.59254958 -34.41623701 -77.03915713 -84.79542424 -93.83050638 1.1989999999E-9 2.6809999999E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.7019999999E-8 1.4989999999E-7 3.351E-7 7.493E-7 0.000001675 0.000003746 0.000008377 0.00001873 0.00004189 0.00009366 101-96-2 7589 144207569 I N,N'-Bis(1-methylpropyl)-1,4-benzenediamine CC(CC)Nc1ccc(NC(C)CC)cc1 Tox21_200371 -NCGC00258175-01 196715772 tox21-ror-cho-viability-p1 set2 2.4 39.0419505009 21.1547203921 1.8452796079 23 0.8999999999 0.8722072941 0.0010786183 4.06749178 3.14745297 1.52182574 1.45545443 -0.12893366 5.24215991 0.60310593 2.24686914 2.23013933 5.41913542 5.14858836 5.49470586 9.05837239 10.57183129 19.03191391 1.1919999999E-9 2.6659999999E-9 5.962E-9 1.333E-8 2.981E-8 6.6659999999E-8 1.491E-7 3.3329999999E-7 7.4529999999E-7 0.0000016659999999 0.000003726 0.000008332 0.00001863 0.00004166 0.00009316 55-21-0 2331 144207819 A A Benzamide NC(=O)c1ccccc1 Tox21_200621 -NCGC00257565-01 196715776 tox21-ror-cho-viability-p1 set2 4 -7.5297579 3.01516916 0.44669792 -0.00342247 3.87818393 -1.91095013 -0.25919465 -5.13475213 -0.40417352 4.34465607 5.31146161 -6.51861926 0.06726959 5.01100844 4.10287393 1.133E-9 2.5339999999E-9 5.6669999999E-9 1.267E-8 2.833E-8 6.335E-8 1.4169999999E-7 3.168E-7 7.083E-7 0.000001584 0.0000035419999999 0.000007919 0.00001771 0.0000396 0.00008854 75-76-3 6396 144207209 FC Tetramethylsilane C[Si](C)(C)C Tox21_200011 -NCGC00257685-01 196716181 tox21-ror-cho-viability-p1 set2 4 0.002730602 -8.311947456 8 -0.311947456 1.24751 0.3636727021 0.3102157321 6.22081353 3.08700799 2.83654544 1.13913691 0.49591147 0.65596917 -8.17662288 0.96285924 3.51309004 -0.93424609 0.99471061 1.60256872 -1.01675523 -0.40847154 -0.50805417 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 22591-21-5 31432 144207329 A A 1,1-Dichloro-3,3-dimethylbutan-2-one CC(C)(C)C(=O)C(Cl)Cl Tox21_200131 -NCGC00249613-02 196717012 tox21-ror-cho-viability-p1 set2 -1.1 1.333319023 -65.8147292992 -1.4180696959 -67.2327989951 1.3437170999 0.9729359828 2.699E-7 -5.17207645 -6.98647708 0.2500555 0.68086295 -6.6194474 0.19668699 1.02153134 -0.85922946 -4.57376493 -31.5029997 -40.7357824 -54.1973837 -57.434667 -64.50672191 -73.15916562 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 868540-17-4 11556711 170466878 A Carfilzomib C[C@@]1(CO1)C(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc3ccccc3)NC(=O)CN4CCOCC4)CC(C)C Tox21_113079_1 -NCGC00091586-02 196717021 tox21-ror-cho-viability-p1 set2 4 51.5595002592 -17.105273976 2.5 -14.605273976 0.6 0.5177451523 0.1636901206 -0.00619066 -1.49277811 -0.09908419 3.5742082 3.99465858 5.82678941 4.91353112 5.81461791 -1.58070286 -0.62058317 -3.99882959 -3.27113124 0.23578954 -2.11820313 -10.50439498 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00253704-01 196717024 tox21-ror-cho-viability-p1 set2 -2.1 21.1316824289 -99.2559074558 3.854390027 -95.4015174288 2.7202212143 0.9835187644 1.54E-8 2.94117838 4.07373065 1.27960283 4.69099142 5.29290621 7.88410906 5.57578079 6.17897393 0.0011256 -0.51136195 -0.47975366 0.10793642 1.72925899 -44.61604169 -85.0280904 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1458-18-0 73828 170466763 A A Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate Clc1nc(C(=O)OC)c(N)nc1Cl Tox21_113824 -NCGC00163818-04 196717417 tox21-ror-cho-viability-p1 set2 -2.4 8.6349217992 -23.8246643359 2.5 -21.3246643359 1.3437170999 0.9097592414 0.0001923232 2.67852702 -1.7504988 0.28115448 1.82881404 7.2133119 -0.52866746 8.16573513 2.89434536 -0.47825217 -1.20604373 -1.88500334 -9.77583978 -15.53854567 -17.9716475 -20.68722028 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00095048-06 196717437 tox21-ror-cho-viability-p1 set2 4 -1.07726039 -1.18507474 -0.43715839 -1.42979255 -2.12243152 -1.13559253 -0.01395681 -0.76802711 1.03179859 -2.54337471 -3.33114836 -4.63407407 -2.50198424 -6.49371421 -1.86253607 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54-91-1 4842 170465158 C Pipobroman O=C(CCBr)N1CCN(CC1)C(=O)CCBr Tox21_111402_1 -NCGC00094857-05 196717837 tox21-ror-cho-viability-p1 set2 -3 33.4914596268 -73.7598024766 -2.827393937 -76.5871964136 4.9549173134 0.9613243497 0.0000020307 -1.59425463 -1.06424419 -9.2911209 -7.8644881 0.72063906 -8.06133144 -0.23770965 -1.26766215 -1.52960736 -3.36863098 -1.06062076 1.09218813 -3.24303032 -7.30175066 -67.18175124 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52417-22-8 2723598 170465046 A 9-Aminoacridine, monohydrochloride, monohydrate Cl.O.Nc1c3ccccc3nc2ccccc12 Tox21_111187_1 -NCGC00254649-01 196714134 tox21-ror-cho-viability-p1 set2 -2.2 34.271392867 -48.7093324124 -3.65857624 -52.3679086524 0.6999999999 0.8705640443 0.001132877 -3.54168846 -6.94686219 -0.9654802 -4.55113342 -4.15004532 -6.97145848 -1.07976485 -7.80741402 -2.20870778 -3.98598091 -12.99707481 -26.49343004 -18.54391093 -24.91509297 -39.67265807 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 1420-07-1 14994 144211060 A A Dinoterb O=[N+]([O-])c1cc(cc(c1O)C(C)(C)C)[N+]([O-])=O Tox21_300743 -NCGC00263512-01 196713715 tox21-ror-cho-viability-p1 set2 4 3.6610842836 7.675340552 0.324659448 8 4.9549173134 0.9308875246 0.0000498661 -0.97945046 0.07076252 1.55471583 0.36703618 -0.58800844 0.48859261 1.51742329 -0.41694203 0.06769337 1.42500687 0.54500553 0.69906724 6.45445462 9.04378671 7.19921195 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 17411-19-7 65684 170466202 D Dicarbine Cc3cc1c(NC2CCN(C)CC12)cc3 Tox21_111858_1 -NCGC00258316-01 196701946 tox21-ror-cho-viability-p1 set1 4 -0.79697876 0.89324777 5.57129463 6.47405488 0.60819444 5.86169946 5.11172548 -0.66809697 1.0225955 -0.25574475 4.3137247 3.58553383 -0.39120596 1.14906424 0.90112242 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.312E-7 7.405E-7 0.000001656 0.000003702 0.000008279 0.00001851 0.0000414 0.00009256 57-48-7 439709 144207960 D D-Fructose O[C@H]1[C@H](O)[C@@H](CO)O[C@]1(O)CO Tox21_200762 -NCGC00257557-01 196701548 tox21-ror-cho-viability-p1 set1 4 20.3951420839 12.594803172 -3.594803172 9 0.4 0.6392230987 0.0716780694 -4.58380886 -2.58424922 -6.74566931 -2.05584393 -0.39308942 0.61111092 -3.30016724 -3.2912056 -0.22646434 -3.12412265 0.26792964 4.66500743 0.75164109 2.588771 5.99197981 1.121E-9 2.507E-9 5.6069999999E-9 1.254E-8 2.8029999999E-8 6.2689999999E-8 1.402E-7 3.134E-7 7.0089999999E-7 0.0000015669999999 0.000003504 0.000007836 0.000017519999999 0.00003918 0.00008761 156-59-2 643833 144207201 FC (Z)-1,2-Dichloroethylene Cl\C=C/Cl Tox21_200003 -NCGC00090698-04 196701953 tox21-ror-cho-viability-p1 set1 4 4.10236144 -0.68348286 -0.08218126 7.0222514 -1.54789255 -0.78249522 -4.08066998 7.05012898 3.04394648 3.78831334 3.61528784 4.04102109 4.18690659 0.23331201 5.93468052 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00258267-01 196701964 tox21-ror-cho-viability-p1 set1 4 19.232929515 -16.524513108 -7.037866448 -23.562379556 0.5 0.5847566462 0.123672589 -7.40302349 -5.55107588 -12.3858271 -7.09508983 -5.62968552 -8.84532627 -4.19822204 -13.79775071 -6.34429957 -12.01170179 -13.7071603 -11.32463508 -15.09743486 -17.96864963 -9.41426651 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003673 0.0000082119999999 0.000018359999999 0.00004106 0.000091819999999 534-15-6 10795 144207911 FC 1,1-Dimethoxyethane CC(OC)OC Tox21_200713 -NCGC00258035-01 196701965 tox21-ror-cho-viability-p1 set1 4 0.0047670242 7.082960604 -6.082960604 1 4.9549173134 0.399741655 0.2742759782 -4.95662355 -6.62226633 -0.49737754 2.17581411 2.62922291 2.35988983 4.36621354 0.74269996 -7.15246717 2.73737579 -3.28320455 2.52640309 1.89936722 0.09915074 0.57123922 1.162E-9 2.599E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.000003632 0.0000081199999999 0.00001816 0.0000406 0.00009079 333-20-0 516872 144207679 Potassium thiocyanate [K+].[S-]C#N Tox21_200481 -NCGC00258544-01 196701970 tox21-ror-cho-viability-p1 set1 4 -9.86154977 -13.91055878 -11.75513973 -0.13503577 -1.08861055 -10.89505013 -11.92637603 -1.25331554 -8.6463112 -7.10627113 -12.32574873 -14.93896022 -3.77625551 -2.56983812 -7.15177981 1.1509999999E-9 2.573E-9 5.753E-9 1.2859999999E-8 2.876E-8 6.432E-8 1.438E-7 3.2159999999E-7 7.1909999999E-7 0.000001608 0.000003596 0.00000804 0.00001798 0.0000402 0.00008989 1187-42-4 2723951 144208189 Diaminomaleonitrile N#CC(\N)=C(\N)C#N Tox21_200991 -NCGC00090942-03 196702364 tox21-ror-cho-viability-p1 set1 -2.1 68.5896218971 -79.9721777444 -6.8449413499 -86.8171190943 3.9899729863 0.932662101 0.0000418423 -6.83718083 0.02735358 -13.72873693 -5.84726012 -5.42569333 -4.77523914 -7.20840668 -2.06368127 -0.24487134 -11.9048992 -12.21824619 -9.07405057 -11.71559097 -13.78304156 -68.42205992 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00255047-01 196699911 tox21-ror-cho-viability-p1 set1 4 8.6349217992 5.6006812199 -0.1006812199 5.5 2.7202212143 0.3278729586 0.3432786185 0.67395541 1.56028669 -1.3905939 0.06233861 3.87953367 1.40962142 -1.01456853 -0.29388208 -8.41723435 2.35035212 1.79001457 0.74317715 8.81616308 1.98952605 5.54475507 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-09-7 2337 144211466 A A Benzocaine Nc1ccc(cc1)C(=O)OCC Tox21_301149 -NCGC00254531-01 196699493 tox21-ror-cho-viability-p1 set1 4 -0.30162615 -2.62395964 1.02373811 -1.43904884 -4.32184976 -0.92312093 0.44951651 -0.73828539 -3.50619874 -4.97007196 -2.58965837 -1.45155478 0.25747746 -2.43732244 0.4894579 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-33-3 2272 144210813 C I Azobenzene N(=N/c1ccccc1)\c2ccccc2 Tox21_300495 -NCGC00254289-01 196699500 tox21-ror-cho-viability-p1 set1 4 -1.53117038 5.77747576 0.95298682 -0.8585115 0.71452372 -0.83639018 4.74784605 1.25654543 -0.20325668 -0.48054952 -1.20199151 0.07846016 1.32406289 -1.48250562 5.40678718 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-60-3 7615 144210869 A A N,N,N',N'-Tetrakis(2-Hydroxypropyl)ethylenediamine CC(O)CN(CC(C)O)CCN(CC(C)O)CC(C)O Tox21_300552 -NCGC00254104-01 196699895 tox21-ror-cho-viability-p1 set1 4 0.38311164 3.0746456 0.98984108 1.65948179 1.27364922 -0.17598156 0.30260922 3.6232393 2.72461561 1.63182119 1.27875735 2.21930398 2.22988602 1.14895008 4.37901668 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-36-8 4133 144210457 A Ac Methyl salicylate Oc1ccccc1C(=O)OC Tox21_300137 -NCGC00255495-01 196700308 tox21-ror-cho-viability-p1 set1 4 17.2289340586 -19.0223830319 -2 -21.0223830319 0.6 0.5567107894 0.1459855574 -6.96399922 1.85925379 2.33173385 -0.96111747 -6.29079657 -3.39906054 -5.53512674 -4.08260895 -0.80516308 -5.99534337 -12.22321627 -3.04812726 -12.38829762 -15.85198586 -6.76808823 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 113-24-6 23662274 144211803 Ac Sodium pyruvate [Na+].CC(=O)C([O-])=O Tox21_301486 -NCGC00255956-01 196700313 tox21-ror-cho-viability-p1 set1 4 -2.18085469 -1.42579313 3.79038453 2.61936651 -0.95720884 0.07306888 4.34855763 -1.58156951 0.10231585 -5.51635126 0.3175642 3.17111957 0.74395221 2.91104432 4.79019686 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-08-2 7275 144212531 Z A Limonene dioxide CC12CCC(CC2O1)C3OC3C Tox21_302214 -NCGC00091205-03 196697631 tox21-ror-cho-viability-p1 set1 4 -2.34802795 -3.27850429 -3.62268121 -0.88700025 1.38002921 -2.52748645 -0.03183386 -1.33163063 -5.5359763 2.1631318 0.53116048 2.07463421 -1.6646176 -3.63880937 -2.46615741 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00356973-01 196723784 tox21-ror-cho-viability-p1 set3 4 -5.76567037 0.31703873 4.95246176 -0.66581424 5.54142596 5.70451721 10.35635129 -1.05658095 -2.06759978 -10.36868785 -9.7166344 1.55479789 0.31619632 0.26288636 5.27937782 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7786-67-6 24585 251919794 F 5-Methyl-2-(prop-1-en-2-yl)cyclohexanol CC(=C)C1CCC(C)CC1O Tox21_303961 -NCGC00260078-01 196723788 tox21-ror-cho-viability-p1 set3 4 -0.48503154 2.09011632 0.3527337 11.0923307 7.12605679 4.90893297 -0.44006574 7.63117325 7.06474598 4.43411277 0.31467555 3.51633668 -0.7801866 2.60680271 0.08028556 1.27E-9 2.841E-9 6.3519999999E-9 1.42E-8 3.1759999999E-8 7.102E-8 1.588E-7 3.551E-7 7.94E-7 0.0000017749999999 0.00000397 0.000008877 0.00001985 0.00004439 0.00009925 105-06-6 66041 144209727 A Ac 1,4-Divinylbenzene C=Cc1ccc(C=C)cc1 Tox21_202529 -NCGC00260429-01 196723801 tox21-ror-cho-viability-p1 set3 4 8.09344055 -9.18159165 -11.25656066 -1.87134315 -3.76704277 -2.10544026 1.27906351 1.03761409 0.40281864 -4.71323268 -0.74120607 -4.76625701 1.71801582 0.30308958 5.12970282 1.188E-9 2.656E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.639E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.0000037109999999 0.000008299 0.00001856 0.00004149 0.00009278 97-96-1 7359 144210081 F 2-Ethylbutyraldehyde CCC(CC)C=O Tox21_202883 -NCGC00025349-05 196697651 tox21-ror-cho-viability-p1 set1 -2.4 33.4914596268 -34.56282448 1.5 -33.06282448 4.9549173134 0.9270062984 0.0000643105 0.63593419 5.38676744 0.77232244 -1.1363811 3.20744068 1.94467116 0.86391281 0.09854933 -1.20535493 2.10743134 1.45300135 1.42904456 -1.47949392 2.78882888 -29.2190204 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-00-4 6005 170465297 A Apomorphine Oc3ccc2C[C@@H]1c4c(CCN1C)cccc4c2c3O Tox21_110967_1 -NCGC00183849-01 196698046 tox21-ror-cho-viability-p1 set1 4 -1.77559674 -2.46698447 0.35909667 -0.02881381 -0.96961208 0.11212948 -0.06550875 8.18768322 -11.39929361 0.88855818 0 0.0785844 0.52475753 -1.19544393 0.50520191 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 76568-02-0 4474062 144206866 A A Flosequinan CS(=O)C2=CN(C)c1cc(F)ccc1C2=O Tox21_113315 -NCGC00163128-08 196698052 tox21-ror-cho-viability-p1 set1 4 0.66611231 0.60387995 -1.1418236 2.07351203 -7.39770437 0.44968983 0.16570352 0.58866968 0.32805659 2.11807546 -1.41204758 0.39328644 0.26188076 0.01330704 -2.18831397 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112529-15-4 60560 170465116 A Pioglitazone hydrochloride Cl.CCc1ccc(nc1)CCOc3ccc(CC2SC(=O)NC2=O)cc3 Tox21_111440_1 -NCGC00254268-01 196720132 tox21-ror-cho-viability-p1 set3 4 0.0086349218 17.262630524 -15.262630524 2 0.4 0.7872669608 0.0103782794 -8.92421179 -12.71885877 -5.39313262 -2.73192268 -6.48516479 -5.65025316 -2.27569125 0.97069413 0.63290926 0.50922357 -2.42976122 1.33290117 1.51965533 3.42427649 0.60333004 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1303-11-3 91500 144210846 Indium arsenide [As]#[In] Tox21_300528 -NCGC00254899-01 196719715 tox21-ror-cho-viability-p1 set3 4 0.0043277126 23.183081876 -20.683081876 2.5 0.5 0.6739610157 0.050822152 -12.97505775 -13.90256823 -7.04057609 -3.79438359 -3.01069322 -2.18768995 -2.297382 0.96660711 0.61623858 1.22730639 -0.27193777 -0.85925872 -2.4625588 0.16972936 13.65518607 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109293-98-3 23676752 144211314 A A Diflufenzopyr-sodium [Na+].Fc1cc(cc(F)c1)NC(=O)N\N=C(/C)c2ncccc2C([O-])=O Tox21_300997 -NCGC00254039-01 196719723 tox21-ror-cho-viability-p1 set3 -2.4 76.9588215421 -31.4147001599 -3.5 -34.9147001599 4.9549173134 0.7226281476 0.0287841507 -7.68784556 -6.35106987 -0.93288326 -10.38480586 -1.12339353 -7.72218721 -4.38110825 1.32150256 -6.08942937 -1.01489069 -3.7045386 -0.54346568 0.93866679 0.63534594 -27.4289168 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-09-8 4764 144210602 A A Phenolphthalein Oc1ccc(cc1)C3(OC(=O)c2ccccc23)c4ccc(O)cc4 Tox21_300282 -NCGC00254831-01 196720125 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -69.67336437 11.608838459 -58.064525911 4.9549173134 0.7316187022 0.0253877194 4.26764938 -1.72138246 5.01461822 10.79501109 10.0010163 -0.44148703 0.31616934 17.39753251 14.07882066 21.39264047 19.35006012 26.38036297 16.54095558 16.50410294 -45.79640621 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-50-0 2268 144211246 B B Azinphos-methyl COP(=S)(OC)SCN1N=Nc2ccccc2C1=O Tox21_300929 -NCGC00254565-01 196720549 tox21-ror-cho-viability-p1 set3 -3 68.5198756601 -38.02949872 -1 -39.02949872 4.9549173134 0.6503524268 0.0637695669 -4.29451089 -7.33460426 1.44171366 3.54230356 3.83765129 3.28801167 -10.36187941 2.77798407 4.98563655 -12.82747699 3.09459906 -7.04308592 4.14998024 -2.75574895 -32.1079156 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 115-29-7 3224 144210974 F Endosulfan ClC2=C(Cl)C3(Cl)C1COS(=O)OCC1C2(Cl)C3(Cl)Cl Tox21_300657 -NCGC00256101-01 196727976 tox21-ror-cho-viability-p1 set3 4 -0.81760783 -3.5863897 -1.07936191 -2.71534317 -0.10456036 1.60235535 4.58102794 0.33673032 2.65196591 1.89938973 3.70838523 1.47308658 2.7729457 1.85979604 0.32199204 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 629-78-7 12398 144212595 F Fns Heptadecane CCCCCCCCCCCCCCCCC Tox21_302278 -NCGC00163818-04 196727955 tox21-ror-cho-viability-p1 set3 4 2.66936354 -3.11503881 -3.14851001 6.39618259 -5.53958242 -1.06083493 1.47887504 3.31449443 -6.47610064 8.32234114 -11.18124789 -1.32740735 1.21441937 -1.82079858 -9.74049491 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00255991-01 196727961 tox21-ror-cho-viability-p1 set3 4 2.7306020303 10.4319128639 -1.4319128639 9 4.9549173134 0.3764103675 0.3106163046 -2.95536151 -4.13817655 -1.16982916 -0.99460118 0.96904772 -3.8961344 8.22411867 4.66237603 -7.44326072 -5.47273319 7.81160553 16.5831508 12.39586277 -3.0773978 -3.15581738 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 128-09-6 31398 144211685 F N-Chlorosuccinimide O=C1CCC(=O)N1Cl Tox21_301368 -NCGC00255166-01 196727972 tox21-ror-cho-viability-p1 set3 4 0.968854161 -6.22822576 3 -3.22822576 4.9549173134 0.4299261974 0.2442144124 0 8.0381304 -0.61315401 7.42736508 -3.20425354 -1.82078886 6.55377815 6.21299235 2.50193795 -4.2577203 -1.6720979 -5.6068548 -4.1540171 -2.94350745 -0.61994127 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 114-49-8 6603108 144212336 A A Scopolamine hydrobromide Br.OC[C@H](c1ccccc1)C(=O)O[C@H]2C[C@@H]3N(C)[C@H](C2)[C@H]4O[C@@H]34 Tox21_302019 -NCGC00255129-01 196728380 tox21-ror-cho-viability-p1 set3 4 -3.78531699 -2.40156971 2.5839681 1.50234487 3.40912834 -2.1070824 0.93326059 3.64976869 4.54735655 2.79923061 4.45639124 2.27210128 -4.78301698 3.26058106 -2.35218057 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 32687-77-7 64865 144211555 A C 3-[3,5-DI(tert-butyl)-4-hydroxyphenyl]propanohydrazide CC(C)(C)c1cc(cc(c1O)C(C)(C)C)CCC(=O)NN Tox21_301238 -NCGC00255634-01 196728383 tox21-ror-cho-viability-p1 set3 4 0.3437624285 7.114010392 -1.614010392 5.5 2.3331733767 0.4312082849 0.2427102612 1.86100324 -1.456361 -3.50414856 -2.71365485 -1.5567792 -3.84500866 3.68923973 -2.99960242 10.9692446 0.31138031 10.04552026 1.29604282 2.3548601 9.85279187 4.07450225 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5349-51-9 79302 144211952 D A 4-(2-Methylbutan-2-yl)cyclohexanol OC1CCC(CC1)C(C)(C)CC Tox21_301635 -NCGC00256173-01 196728388 tox21-ror-cho-viability-p1 set3 4 21.6899429044 -10.408685188 6 -4.408685188 4.9549173134 0.3749217393 0.29621885 0.86440173 7.91274214 0.00104325 17.34040826 2.15043338 4.41586463 2.00289054 11.15915161 5.56064704 11.10689995 6.82110488 3.92189616 3.06630225 -6.59057099 -1.61541461 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-50-3 61048 144212644 A Ac Isobutyl benzoate CC(C)COC(=O)c1ccccc1 Tox21_302327 -NCGC00255962-01 196728389 tox21-ror-cho-viability-p1 set3 4 0.7522137 11.41106562 10.49266216 18.14449146 2.34166658 7.46143719 4.3879067 5.43470536 3.60744844 21.55626495 1.53859715 7.75851465 13.93925425 7.63604223 1.5037662 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2761-24-2 17695 144212187 F F Triethoxypentylsilane CCO[Si](OCC)(OCC)CCCCC Tox21_301870 -NCGC00016831-06 196725963 tox21-ror-cho-viability-p1 set3 4 7.16983744 4.90772197 3.76937132 3.3105087 3.86062 4.54354575 1.60567166 2.64849545 2.74781065 6.55948847 6.05163719 -3.82979957 3.89942226 1.98739312 6.11341156 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35543-24-9 6420013 170466459 A Buflomedil hydrochloride Cl.COc2cc(OC)cc(OC)c2C(=O)CCCN1CCCC1 Tox21_110636_1 -NCGC00159559-03 196725955 tox21-ror-cho-viability-p1 set3 4 0.0668242473 -4.4326721759 0.5 -3.9326721759 2.4729283767 0.3792597258 0.2943457881 4.06556849 -2.10673331 -0.84617352 2.15170348 0.17526642 -0.53265263 -1.58216661 -3.48299688 -4.57150045 -9.94389348 -7.08799091 -0.74669298 0.13317336 -1.35036537 -3.2110018 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 107724-20-9 443872 170465283 A Eplerenone O=C(OC)[C@@H]4CC1=CC(=O)CC[C@]1(C)[C@@]65O[C@@H]6C[C@@]3(C)[C@@H](CC[C@]23CCC(=O)O2)[C@H]45 Tox21_111746_1 -NCGC00183013-01 196725958 tox21-ror-cho-viability-p1 set3 4 0.001333319 10.6801271959 -9.1801271959 1.5 1.8616924601 0.5281701904 0.1551583864 -8.48343933 -2.60860728 -1.35764562 -1.09886729 5.37129592 1.52868477 4.0093059 2.22239726 -2.89385408 -3.39767461 1.51989581 3.75607332 2.60168718 0.46339092 5.21821444 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 149838-23-3 164486 144206845 A A Doranidazole OC[C@@H](O)[C@H](CO)OCn1ccnc1[N+]([O-])=O Tox21_113294 -NCGC00256336-01 196719083 tox21-ror-cho-viability-p1 set2 4 -6.26257615 -1.26593701 1.93348082 1.95563103 -1.859681 0.52698841 -5.0885122 2.25867367 -3.31570276 0.78093071 0.17187438 0.19683923 -3.59022295 -0.77303174 1.94862054 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5949999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004246 0.00009493 98-96-4 1046 144213088 A A Pyrazinamide NC(=O)c1cnccn1 Tox21_302771 -NCGC00257188-01 196718264 tox21-ror-cho-viability-p1 set2 4 0.41018639 -2.4870579 2.08108652 0.46096569 1.60984922 3.05775095 -0.38685195 5.65371672 2.44665553 1.5804028 6.03035141 2.49631815 3.48676716 0.59067545 3.60296639 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-02-6 4445035 144213568 Ac Sodium phenolate [Na+].[O-]c1ccccc1 Tox21_303251 -NCGC00256650-01 196718265 tox21-ror-cho-viability-p1 set2 4 -0.80667947 -10.44196488 -6.64997732 6.86959115 -5.60950325 -4.70600408 -3.21262614 -7.74660922 -6.30936135 -6.77996833 -1.68407148 -8.66232585 -13.83190821 -8.63833547 0.07652271 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 505-79-3 62351 144212926 A D 3-(Methylthio)propyl isothiocyanate S=C=N\CCCSC Tox21_302609 -NCGC00257369-01 196718688 tox21-ror-cho-viability-p1 set2 4 -0.64948008 -0.31901301 -1.23334522 2.60290396 0.16148112 2.39517221 3.11680958 -2.27967852 -1.91524541 1.34709513 3.95924362 -1.72402035 5.83097052 3.7147413 0.172645 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 625-45-6 12251 144213824 A Methoxyacetic acid O=C(O)COC Tox21_303516 -NCGC00257351-01 196719084 tox21-ror-cho-viability-p1 set2 4 1.75678842 0.27960653 1.60823954 3.78240716 3.34450724 -4.07403998 0.73789586 -1.87614909 -4.06598015 -0.02749823 -1.87528734 1.94984965 4.89028967 3.54902855 2.5979025 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-71-4 33094 144213771 A A Methyl 2-methylbenzoate COC(=O)c1ccccc1C Tox21_303461 -NCGC00094521-05 196719090 tox21-ror-cho-viability-p1 set2 4 1.43546434 -0.59580742 2.09761803 0.18229198 1.61139298 0.93822702 2.17652478 1.75702056 0.23082125 1.41938449 6.73294402 3.16583012 -1.09922103 -0.12475069 -1.97854912 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009215 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00090952-07 196719095 tox21-ror-cho-viability-p1 set2 4 1.05586824 0.27796575 1.2843054 2.29778313 1.20343672 6.15075838 2.56419611 7.6821383 3.76231808 3.0908413 6.86989704 6.40498837 5.77343842 0.39808898 3.74518707 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00257252-01 196719097 tox21-ror-cho-viability-p1 set2 -2.1 27.3060203028 -73.8062893344 -4.883499799 -78.6897891334 2.6384283767 0.9666301851 8.863E-7 -2.65816674 -5.51279063 -7.56181359 1.11054408 1.19794982 -6.73746323 -8.95574739 -6.13071151 -9.09868649 -12.71552897 -2.45609607 -1.66296882 -25.45581429 -57.83705416 -77.63704817 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17796-82-6 28777 144213901 A C N-(Cyclohexylthio)phthalimide O=C3c1ccccc1C(=O)N3SC2CCCCC2 Tox21_303596 -NCGC00258251-01 196715382 tox21-ror-cho-viability-p1 set2 -1.1 17.299041594 -90.1004129984 -7.195064127 -97.2954771254 1.9673362061 0.9426219677 0.0000177484 -1.80134298 -2.86052752 -23.20013141 -4.72983616 -4.41945298 -3.24694964 -15.05944584 -13.02567522 -3.27548924 -4.94938115 -4.45823678 -33.24745916 -45.81518541 -92.13586849 -90.88341122 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 258864-54-9 11375816 144207895 A A Trihexyltetradecylphosphonium chloride [Cl-].CCCCCC[P+](CCCCCC)(CCCCCC)CCCCCCCCCCCCCC Tox21_200697 -NCGC00163953-03 196715367 tox21-ror-cho-viability-p1 set2 -3 64.8164987557 -40.976054076 -0.5 -41.476054076 3.2474983358 0.9038070133 0.0002656805 1.64437933 1.29904394 0.87494941 -0.81928915 -0.14870177 -1.0015514 0.83008861 1.60262311 0.05684269 -9.72326481 -1.65258268 0.15337833 -2.53879146 -8.55496456 -32.89671173 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00257932-01 196715372 tox21-ror-cho-viability-p1 set2 4 -2.43675084 -0.97257346 0.19550294 0.46752319 0.84426194 -2.52004209 -1.56258879 1.00096553 0.05335795 0.07937408 -0.17673951 -0.67767172 0.43783916 -0.17575649 -3.71947739 1.167E-9 2.61E-9 5.837E-9 1.305E-8 2.918E-8 6.5259999999E-8 1.459E-7 3.2629999999E-7 7.296E-7 0.000001631 0.000003648 0.000008157 0.000018239999999 0.000040789999999 0.0000912 94-25-7 2482 144207576 A A Butyl 4-aminobenzoate Nc1ccc(cc1)C(=O)OCCCC Tox21_200378 -NCGC00258195-01 196715375 tox21-ror-cho-viability-p1 set2 4 0.0340967617 4.821410216 -5.321410216 -0.5 2.3331733767 0.6026387947 0.0974329277 -4.04722619 -3.09404426 -6.7575398 -8.60117518 -2.58464085 -0.67845904 -0.49238124 -2.14737509 -2.01620632 -0.76997206 -1.65765957 0.05177715 2.28548098 -0.63000677 -2.03594436 1.172E-9 2.621E-9 5.8609999999E-9 1.31E-8 2.9299999999E-8 6.552E-8 1.465E-7 3.276E-7 7.326E-7 0.0000016379999999 0.0000036629999999 0.00000819 0.00001831 0.00004095 0.000091569999999 94-45-1 7192 144207839 A A 2-Amino-6-ethoxybenzothiazole CCOc1ccc2nc(N)sc2c1 Tox21_200641 -NCGC00257870-01 196715781 tox21-ror-cho-viability-p1 set2 4 58.4055338216 15.0849732039 -1.0849732039 14 3.6772481694 0.4791252953 0.1981098664 -0.29970118 -3.52928614 -0.78301619 -1.51250594 -1.93756351 -7.98747767 -0.12401138 -0.54025383 -2.10267511 -2.59552935 8.82013875 -0.78533951 0.15702285 1.72173986 11.33855166 1.136E-9 2.54E-9 5.679E-9 1.27E-8 2.8389999999E-8 6.349E-8 1.4199999999E-7 3.175E-7 7.099E-7 0.0000015869999999 0.000003549 0.000007936 0.000017749999999 0.00003968 0.00008873 4170-30-3 20138 144207514 FNS Crotonaldehyde CC=CC=O Tox21_200316 -NCGC00260303-01 196703216 tox21-ror-cho-viability-p1 set1 4 0.24572185 3.31973888 3.0394783 -1.53543445 2.99745412 -0.51436982 0.31846825 -1.03113481 -0.72583924 2.95620042 1.0615778 0.17837669 3.16064878 1.16056846 3.62549769 1.214E-9 2.7139999999E-9 6.0679999999E-9 1.357E-8 3.034E-8 6.7849999999E-8 1.517E-7 3.3919999999E-7 7.586E-7 0.000001696 0.000003793 0.0000084809999999 0.00001896 0.000042399999999 0.000094819999999 19355-69-2 88022 144209954 Ac 2-Amino-2-methylpropionitrile N#CC(C)(C)N Tox21_202756 -NCGC00260485-01 196703202 tox21-ror-cho-viability-p1 set1 4 -2.63583623 0.74311598 -0.1904382 2.23771736 -0.10094037 -2.99627657 -0.43465925 1.56969349 0.50207995 -0.78203211 3.0727954 0.65461445 0.37053497 -3.43438824 -6.01847457 1.1779999999E-9 2.635E-9 5.891E-9 1.3169999999E-8 2.9459999999E-8 6.587E-8 1.4729999999E-7 3.2929999999E-7 7.364E-7 0.0000016469999999 0.0000036819999999 0.000008233 0.000018409999999 0.00004117 0.000092049999999 6674-22-2 81184 144210137 A A 1,8-Diazabicyclo[5.4.0]undec-7-ene C1CCC2=NCCCN2CC1 Tox21_202939 -NCGC00090773-04 196703215 tox21-ror-cho-viability-p1 set1 4 0.04709164 2.01129393 -1.22689044 -1.6461506 -0.33158749 0.09853487 -4.89191946 -10.89151306 -1.35745866 -0.60533161 -3.41262019 2.05330218 -0.75057307 -1.37335796 -9.62267292 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00260493-01 196703218 tox21-ror-cho-viability-p1 set1 4 12.1847484065 -16.94479972 0.5 -16.44479972 2.2526478767 0.8095072071 0.006495569 -2.17021551 -1.58919396 2.35787128 3.41396132 -3.29290216 -3.50231797 -2.28310522 4.8991995 5.79654193 0.20632378 -1.0345205 -1.61973559 -13.67479985 -14.66007974 -15.7873331 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.000001648 0.000003684 0.000008238 0.00001842 0.00004119 0.000092099999999 82-86-0 6724 144210145 A A Acenaphthenequinone O=C3c2cccc1cccc(c12)C3=O Tox21_202947 -NCGC00260402-01 196703618 tox21-ror-cho-viability-p1 set1 4 -1.26457085 0.75011007 1.74986445 1.91996458 2.13019434 1.64249686 3.56512905 0.9070797 -0.14920968 -0.5631988 2.90037531 2.38499565 0.01013401 1.47874237 1.73475549 1.1999999999E-9 2.684E-9 6.001E-9 1.3419999999E-8 3.0009999999E-8 6.71E-8 1.5E-7 3.355E-7 7.5019999999E-7 0.000001677 0.0000037509999999 0.000008387 0.00001875 0.000041939999999 0.000093769999999 616-09-1 92821 144210054 A Propanoic acid,2-hydroxy-,propylester CC(O)C(=O)OCCC Tox21_202856 -NCGC00260567-01 196703622 tox21-ror-cho-viability-p1 set1 4 -3.15706684 0.97188232 0.87524563 -0.56732557 -11.60905403 -8.29853245 0.4182557 0.10726198 -3.19856478 -7.70419467 -6.00670374 -6.98991184 0.47535464 -8.98748916 2.55598446 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49463 144210220 M M NTP Mix75 CT1 62-EQP Tox21_203022 -NCGC00257635-01 196701972 tox21-ror-cho-viability-p1 set1 4 0.0433651619 -8.139587492 -3.2247328399 -11.3643203319 0.5 0.4116401572 0.2798340318 -8.56315175 -3.69562042 -5.60331194 -1.0206107 -10.03123931 -5.0126793 -12.20958756 -9.53325767 -7.19680517 -11.95295217 -9.07047981 -11.43668346 -13.63693361 -9.28043318 -8.85075951 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.305E-7 7.3889999999E-7 0.0000016519999999 0.0000036949999999 0.000008262 0.000018469999999 0.00004131 0.00009237 3302-10-1 90960 144207279 A A 3,5,5-Trimethylhexanoic acid CC(CC(C)(C)C)CC(=O)O Tox21_200081 -NCGC00257834-01 196701557 tox21-ror-cho-viability-p1 set1 4 -0.2900731 -0.84596357 0.92783122 -5.38561946 -8.88793571 7.38891283 -0.67850886 0.49612332 -3.77213332 -1.40826741 0.02925587 0.24572089 -3.77418825 4.72576003 5.6765364 1.1989999999E-9 2.6809999999E-9 5.9959999999E-9 1.3409999999E-8 2.998E-8 6.704E-8 1.4989999999E-7 3.352E-7 7.495E-7 0.000001676 0.000003747 0.00000838 0.000018739999999 0.000041899999999 0.000093689999999 109-67-1 8004 144207478 FNS 1-Pentene CCCC=C Tox21_200280 -NCGC00257572-01 196701566 tox21-ror-cho-viability-p1 set1 4 0.0022153972 -8.6634076759 6 -2.6634076759 4.4494702849 0.3262151038 0.3447897997 5.31811625 0.34341927 -5.2073202 -6.24058114 1.41273431 -4.92450353 -6.80283973 -2.0051702 0.43332726 -4.87057525 -2.4491942 -5.33994302 4.51360248 -1.26057673 -2.09435681 1.2009999999E-9 2.6849999999E-9 6.0029999999E-9 1.3419999999E-8 3.002E-8 6.712E-8 1.501E-7 3.356E-7 7.5039999999E-7 0.0000016779999999 0.0000037519999999 0.00000839 0.00001876 0.00004195 0.000093799999999 100-39-0 7498 144207216 A A alpha-Bromotoluene BrCc1ccccc1 Tox21_200018 -NCGC00257710-01 196701569 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -15.642881 0 -15.642881 4.9549173134 0.6135806623 0.0881114115 0.54972693 0.35234754 0.75435404 2.91811567 -0.89921877 3.60865463 -5.38150922 -5.55765472 1.82638748 -0.84348355 1.9989519 -0.58565859 1.49319037 -0.92893582 -12.6190675 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 60348-60-9 36159 144207354 A A 2,2',4,4',5-Pentabromodiphenyl ether Brc2cc(Oc1ccc(Br)cc1Br)c(Br)cc2Br Tox21_200156 -NCGC00258058-01 196702392 tox21-ror-cho-viability-p1 set1 -2.4 63.5004416718 -24.582609252 0 -24.582609252 3.9899729863 0.8432673641 0.0027679414 0.10291278 1.73433979 0.37881415 3.6017778 -0.63223368 -4.13775678 -2.63700216 1.49219053 0.79756391 1.6053893 -5.07957132 0.85628918 0.49275825 -4.38110673 -20.48550771 1.218E-9 2.7239999999E-9 6.092E-9 1.3619999999E-8 3.046E-8 6.811E-8 1.5229999999E-7 3.406E-7 7.6149999999E-7 0.000001703 0.000003808 0.0000085139999999 0.000019039999999 0.00004257 0.000095189999999 934-00-9 13622 144207702 A A 3-Methoxycatechol COc1cccc(O)c1O Tox21_200504 -NCGC00258246-01 196702395 tox21-ror-cho-viability-p1 set1 4 -7.23368481 -3.63647628 -4.57051366 2.90007679 -10.25293725 1.08190424 -9.74143565 -3.83967631 -0.07397858 -0.14618154 -6.85759274 -7.112356 -9.12993376 -6.45980878 -14.28354815 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.476E-7 3.3009999999E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008253 0.00001846 0.00004127 0.000092279999999 95-84-1 7264 144207890 A A 2-Amino-4-methylphenol Cc1ccc(O)c(N)c1 Tox21_200692 -NCGC00258345-01 196702407 tox21-ror-cho-viability-p1 set1 4 0.1900662 -0.26499387 2.66057128 4.92520314 5.44389742 2.91250472 6.82165001 6.16237641 1.46644927 1.54171735 -0.62352663 -2.59293294 2.06643891 5.37690148 3.66905455 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 88-73-3 6945 144207989 A A 1-Chloro-2-nitrobenzene O=[N+]([O-])c1ccccc1Cl Tox21_200791 -NCGC00160554-02 196722986 tox21-ror-cho-viability-p1 set3 4 3.66222162 -1.93457715 -0.62278948 5.63626316 5.82674641 1.02936108 -12.40206576 -2.2782842 4.75289196 0.2855264 6.90274222 -0.68376101 0.49729178 5.9808426 4.18193917 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 844-26-8 68939 170466268 F Bithionoloxide Oc1c(cc(Cl)cc1Cl)S(=O)c2cc(Cl)cc(Cl)c2O Tox21_111894_1 -NCGC00163355-05 196722574 tox21-ror-cho-viability-p1 set3 4 33.4914596268 11.5333617879 -1.5333617879 10 4.9549173134 0.515023692 0.1668020461 0 -4.05331995 -1.68231078 -1.18188896 -2.23743278 -1.15237521 -0.56586567 -3.50440414 4.5066549 -1.27496266 0.15298342 -2.14813041 -6.27780149 -4.04599226 8.69418607 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 482-89-3 5318432 170465746 F Indigo O=C3c4ccccc4N/C3=C2/Nc1ccccc1C2=O Tox21_112052_1 -NCGC00179602-03 196722586 tox21-ror-cho-viability-p1 set3 4 -1.57121994 0.02157346 -2.35838132 -1.86245688 0.51513483 0.63260026 -1.57549892 0.12699108 2.24131136 1.33866744 2.65608964 5.270903 -7.3151512 1.25236507 -3.7689058 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-85-2 5995 170464835 A Testosterone propionate CCC(=O)O[C@H]2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_110330_1 -NCGC00021666-04 196722984 tox21-ror-cho-viability-p1 set3 4 0.0026603212 8.761990548 -7.261990548 1.5 4.9549173134 0.3154528219 0.3532587662 1.58048136 -17.30165879 0 0 0 0 0 0 3.4518609 3.17863574 4.56425599 1.26110855 -3.58460991 -0.91767421 9.02332727 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55096-26-9 5284594 170465281 A Nalmefene C=C1CC[C@@]6(O)[C@H]3Cc5ccc(O)c4O[C@@H]1[C@]6(CCN3CC2CC2)c45 Tox21_110873_1 -NCGC00255091-01 196720575 tox21-ror-cho-viability-p1 set3 4 5.50226033 1.48160512 9.78329957 2.67883257 5.12724326 10.80249383 11.43796816 13.85847555 5.58981276 22.15153672 8.25664642 5.75949855 3.78204372 11.96198732 1.14653164 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 79241-46-6 3033674 144211510 A A Fluazifop-P-butyl O=C(OCCCC)[C@@H](C)Oc1ccc(cc1)Oc2ccc(cn2)C(F)(F)F Tox21_301193 -NCGC00253930-01 196720164 tox21-ror-cho-viability-p1 set3 4 0.0017211415 18.816223328 -22.995665068 -4.17944174 0.4 0.632022677 0.0758020333 -12.16687953 -18.32972089 -9.52489744 -6.41368542 -8.37819782 -10.65608427 -5.81708484 -8.71194297 -6.8486853 -4.8379382 -1.81620145 -2.44104878 -4.04406703 -6.9306251 -4.63225477 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 219790-72-4 9931156 144210541 A A SB281832 OCC(CO)n4cnc(c1ccc(F)cc1)c4c3ccnc(Oc2ccccc2)n3 Tox21_300221 -NCGC00254495-01 196720573 tox21-ror-cho-viability-p1 set3 -1.2 24.3365162115 -48.5209458167 3.2521566144 -45.2687892023 4.0949729863 0.952666703 0.0000062239 -0.80754545 0.61063845 6.39084121 6.40433119 6.53899272 -4.31746889 2.06249745 9.10511359 0.78041349 -0.09730226 5.27173344 5.66793501 -9.39867229 -39.1642259 -45.85175412 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13311-84-7 3397 144210854 A A Flutamide O=C(Nc1cc(c(cc1)[N+]([O-])=O)C(F)(F)F)C(C)C Tox21_300536 -NCGC00254692-01 196720574 tox21-ror-cho-viability-p1 set3 4 4.80359658 2.25639888 -2.31006608 -9.82876644 -0.03892103 4.46672473 13.89477675 -6.89604799 2.82278773 0.25155762 0.30730326 1.66360553 -9.16357457 1.3736772 -11.95394718 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 120116-88-3 9862076 144211105 F F Cyazofamid N#Cc2nc(Cl)c(c1ccc(C)cc1)n2S(=O)(=O)N(C)C Tox21_300788 -NCGC00259375-01 196720988 tox21-ror-cho-viability-p1 set3 4 -6.08824584 -4.33486638 -3.92519991 -0.36607036 -3.4518161 -0.76667247 -5.01483429 -6.33354957 -5.03708724 -0.99388467 -4.86076761 -5.19073033 -1.67025409 -1.71089742 -0.62258802 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.679E-8 1.494E-7 3.34E-7 7.468E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004175 0.000093349999999 140-11-4 8785 144209024 A Ac Benzyl acetate CC(=O)OCc1ccccc1 Tox21_201826 -NCGC00259030-01 196720999 tox21-ror-cho-viability-p1 set3 4 -4.74479708 -4.71773864 -2.80600716 -3.11955161 -3.5597116 0.44454112 -3.37561825 -5.99968501 -5.30707185 -2.22318982 -3.56468592 -6.40764988 -3.77018286 -0.42481684 -2.20439492 1.206E-9 2.697E-9 6.0309999999E-9 1.349E-8 3.0149999999E-8 6.743E-8 1.5079999999E-7 3.371E-7 7.538E-7 0.0000016859999999 0.000003769 0.000008428 0.00001885 0.00004214 0.00009423 111-84-2 8141 144208677 FNS Nonane CCCCCCCCC Tox21_201479 -NCGC00259708-01 196721000 tox21-ror-cho-viability-p1 set3 -1.2 27.8623340816 -28.412614124 -3 -31.412614124 4.9549173134 0.8308226667 0.0038681047 0.58263416 -6.78408079 -5.96737428 -2.63307333 -6.77395178 -6.94569811 -6.07750236 -6.93873656 -6.70789862 1.94747864 3.67476042 5.29633927 -4.19593507 -28.9573485 -30.76051177 1.1999999999E-9 2.684E-9 6.002E-9 1.3419999999E-8 3.0009999999E-8 6.71E-8 1.5E-7 3.355E-7 7.5019999999E-7 0.000001677 0.0000037509999999 0.000008387 0.00001875 0.000041939999999 0.000093769999999 610-39-9 11883 144209357 A A 3,4-Dinitrotoluene O=[N+]([O-])c1cc(C)ccc1[N+]([O-])=O Tox21_202159 -NCGC00259148-01 196721398 tox21-ror-cho-viability-p1 set3 4 27.4727179077 10.373340752 -7.873340752 2.5 4.9549173134 0.3950731926 0.2769734042 -9.57006535 -4.70346854 -8.00121031 3.03148631 -11.37087119 -10.52462973 -15.72778396 -12.27067933 -4.7105427 -5.36802846 -5.25194446 -10.18759065 -7.11013697 2.55196821 1.74281632 1.1859999999E-9 2.651E-9 5.929E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008286 0.00001853 0.000041429999999 0.00009264 3089-11-0 62479 144208797 A A N,N,N',N',N'',N''-Hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine COCN(COC)c1nc(nc(n1)N(COC)COC)N(COC)COC Tox21_201599 -NCGC00257824-01 196730200 tox21-ror-cho-viability-p1 set3 4 -2.41498398 0.43325952 -0.3023525 -6.47832843 0.97447326 -3.52387687 -1.84247036 -3.22286338 -8.00533395 -11.55997182 -24.28199221 -0.02348729 -2.46402987 5.21080228 6.73386664 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.3529999999E-7 0.0000016439999999 0.0000036769999999 0.000008221 0.000018379999999 0.00004111 0.00009192 1025-15-6 13931 144207468 A A Triallyl isocyanurate C=CCN1C(=O)N(CC=C)C(=O)N(CC=C)C1=O Tox21_200270 -NCGC00162132-03 196697474 tox21-ror-cho-viability-p1 set1 4 2.18820898 0.63885238 -10.73286741 -0.49550417 0.15165469 0.43345863 0.62948871 1.83416968 1.28983799 -0.36286105 -5.28053648 -0.10641763 -5.73489774 -3.78771425 1.53558119 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1421-65-4 10131132 170466253 Z Methyl L-DOPA hydrochloride Cl.Oc1ccc(C[C@H](N)C(=O)OC)cc1O Tox21_111221_1 -NCGC00183023-01 196697478 tox21-ror-cho-viability-p1 set1 4 0.1883363179 4.7885964439 -3.7885964439 1 4.9549173134 0.5376344212 0.1475076109 -6.46155077 -0.37965465 -8.57383037 -0.74911011 -3.11917344 -4.6101581 -3.09632892 -2.7729617 2.52893429 -2.20214901 3.48773824 0.07732448 -0.15094716 2.25892944 2.03443313 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21721-92-6 71900 144206859 A A Nitrefazole [O-][N+](=O)c1ccc(cc1)n2cc(nc2C)[N+]([O-])=O Tox21_113308 -NCGC00016526-07 196697437 tox21-ror-cho-viability-p1 set1 4 21.1316824289 8.9349173839 -1.9349173839 7 0.6 0.3285978596 0.3443044207 3.60072069 -0.38941265 -4.03549141 -3.5291693 -5.77909782 -3.67696403 -0.04190149 -0.74452473 2.35338144 -0.57187596 -1.72718412 0.11847482 2.77489914 0.25569887 4.9515404 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 633-65-8 12456 170465752 A Berberine [Cl-].COc2ccc1cc3c4cc5OCOc5cc4CC[n+]3cc1c2OC Tox21_110474_1 -NCGC00091468-02 196697475 tox21-ror-cho-viability-p1 set1 4 -0.24225592 2.84653635 1.56146639 0.52280663 -0.44179225 -0.43776237 -0.30569141 1.29554637 2.15141159 1.27484207 3.27426858 0.82476173 0.00400812 2.05369578 -0.04171445 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00091163-03 196697491 tox21-ror-cho-viability-p1 set1 4 0.84268377 4.74966576 4.97120915 4.00023838 -19.12156446 1.14699524 2.05218004 7.29471215 0.90269931 3.32194883 2.78551412 1.47253767 1.59822894 0.05136026 3.66202487 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00021139-11 196697511 tox21-ror-cho-viability-p1 set1 4 1.83320484 -2.88784649 1.05222894 -3.38525796 -3.60737301 -5.29339008 -0.09375386 -1.21721421 2.00332065 -2.40408014 -0.69254352 -2.99281161 -1.99164775 -1.23293297 -0.5045672 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-41-0 1775 170464785 A 5,5-Diphenylhydantoin O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3 Tox21_110861_1 -NCGC00160421-03 196697513 tox21-ror-cho-viability-p1 set1 4 -1.51096311 8.64366565 4.48133307 -5.50594191 -0.50563759 1.29631772 0.57338892 4.75496225 0.04332664 1.24890789 -0.78779805 0.45917109 4.28359973 1.07391027 -1.24499607 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-46-8 6018 170464675 A Tetrabenazine CC(C)CC2CN3CCc1cc(OC)c(OC)cc1C3CC2=O Tox21_111803_1 -NCGC00160540-03 196697523 tox21-ror-cho-viability-p1 set1 4 -1.42679732 0.59408811 -2.6911883 0.89961209 0.71752683 -3.05111672 -0.73604891 -0.10636783 -3.0407854 -0.01599529 0.66309823 -3.02841202 -2.03254915 0.27063596 -2.34037725 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1824-58-4 15763 170465925 A Ethiazide NS(=O)(=O)c2cc1c(NC(NS1(=O)=O)CC)cc2Cl Tox21_111883_1 -NCGC00160434-02 196697531 tox21-ror-cho-viability-p1 set1 4 -3.20353808 -1.35686938 -2.78285966 -0.97693015 -1.11996 -2.02463902 -6.14251534 -3.71553747 -2.01625233 -1.02217751 -3.33137336 -1.44736772 -2.70771312 -1.43009887 -1.99880748 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64204-55-3 68835 170466195 A Esaprazole O=C(CN1CCNCC1)NC2CCCCC2 Tox21_111808_1 -NCGC00159340-05 196697532 tox21-ror-cho-viability-p1 set1 4 -2.23271976 9.99062192 -0.09799663 1.33902257 0.11092091 1.46128714 0.43040943 -0.18956798 -2.77005883 4.39092498 3.64901485 4.60956402 2.62695007 1.30172179 5.23485786 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 89785-84-2 23663400 170465148 A Tazobactam sodium [Na+].O=S3(=O)[C@@](C)(Cn1ccnn1)[C@@H](N2C(=O)C[C@H]23)C([O-])=O Tox21_111584_1 -NCGC00183010-01 196697534 tox21-ror-cho-viability-p1 set1 4 -0.02352768 -2.04134763 3.06726901 0.70321788 1.21370051 2.9615191 0.35796778 0.9526158 -0.76087993 0.63578902 -2.12914277 5.07111403 1.373677 0.53845816 -0.15059066 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69956-77-0 5282203 144206823 A A Pelubiprofen O=C(O)C(C)c1ccc(cc1)\C=C2/CCCCC2=O Tox21_113272 -NCGC00166142-04 196697539 tox21-ror-cho-viability-p1 set1 4 -1.99198569 -3.73894896 -0.91199817 -2.55651584 -2.15082319 0.60401611 2.31572738 -1.99909174 -4.66407759 -4.38289718 -0.45488241 -0.50374565 1.75079464 -3.40885885 -0.03201517 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 537-12-2 10830 170465536 A Diperodon hydrochloride Cl.O=C(Nc1ccccc1)OCC(OC(=O)Nc2ccccc2)CN3CCCCC3 Tox21_110460_1 -NCGC00023339-16 196722910 tox21-ror-cho-viability-p1 set3 4 2.49087886 -5.11810634 1.56323155 -5.04981792 1.05756296 -3.45398624 -13.96831927 0 2.84121355 0.87630351 -0.37890435 -5.38534492 -2.2709288 -1.52413384 7.99715183 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 92-13-7 5910 170464845 Z Pilocarpine Cn2cncc2C[C@H]1COC(=O)[C@H]1CC Tox21_110887_1 -NCGC00255835-01 196701132 tox21-ror-cho-viability-p1 set1 4 0.0548152787 -4.871623884 4.5 -0.371623884 4.9549173134 0.514783623 0.1848408548 3.37445784 3.00549882 6.20323476 1.73794765 7.43624464 0.28019294 -2.80968657 3.47778573 1.56821208 -0.53558453 0.82720047 -0.84401485 -2.78216993 0.35688923 7.1776346 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 138786-67-1 15008962 144212679 A A Pantoprazole sodium [Na+].COc3c(OC)ccnc3CS(=O)c1[n-]c2ccc(cc2n1)OC(F)F Tox21_302362 -NCGC00090704-03 196700286 tox21-ror-cho-viability-p1 set1 4 -0.67325922 0.4627301 2.07112296 -1.03579207 -1.06722494 1.67896655 0.19816453 0.09616857 0.64279709 -0.27440749 -1.04957538 0.63429718 2.13837368 2.58881128 2.23153457 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00163903-03 196700292 tox21-ror-cho-viability-p1 set1 4 36.4489958045 -17.7437950239 0 -17.7437950239 0.4 0.4909618521 0.1871306963 -4.59155584 3.96579268 1.45594935 1.64603939 0.17175956 -3.4260393 -4.9357266 0.08462995 -9.81283838 -3.67533391 -1.90014164 -5.44045486 -2.26691921 -13.95316252 -10.94977687 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00255866-01 196700699 tox21-ror-cho-viability-p1 set1 4 0.68850787 0.60334541 1.7722764 1.45341669 3.91480228 1.05241525 1.54051746 0.57067818 0.31254749 -0.18963462 2.95014677 1.63021172 3.31369354 1.13343005 -1.04304827 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 125-13-3 31315 144212248 A A Oxyphenisatin Oc1ccc(cc1)C2(c3ccccc3NC2=O)c4ccc(O)cc4 Tox21_301931 -NCGC00255733-01 196701137 tox21-ror-cho-viability-p1 set1 4 0.8634921799 4.935672524 0.064327476 5 3.0654483358 0.4041424132 0.2698583348 0.07630352 0.93962156 -0.07671693 1.22345324 0.42083455 -0.54915032 -3.69639377 3.15221985 -1.08430579 8.2144521 11.08447281 2.08538055 0.49408401 3.44748132 4.98427276 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27775-00-4 119716 144212299 F Fns Isononanamine CC(C)CCCCCCN Tox21_301982 -NCGC00255554-01 196701139 tox21-ror-cho-viability-p1 set1 -2.4 54.4826732819 -31.875410392 0 -31.875410392 3.9294729863 0.9509066023 0.0000076462 1.43789835 0.9976315 1.19525509 1.86016845 1.52387028 0.18244268 -5.02637861 0.394611 -0.80833835 -0.99988869 -0.86704303 -0.52843075 0.489061 -7.42291843 -28.22950866 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99607-70-2 93528 144211878 A A Cloquintocet-mexyl CC(CCCCC)OC(=O)COc1ccc(Cl)c2cccnc12 Tox21_301561 -NCGC00258083-01 196701541 tox21-ror-cho-viability-p1 set1 4 -0.0391473 -2.90221793 0.2908744 0.38117029 5.53644276 0.58075387 -0.17939119 -4.14969932 1.07537841 2.71619092 1.32506553 -0.2007666 1.88149165 0.55951688 1.07501214 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.000041259999999 0.000092249999999 18069-17-5 12046 144207727 A A 2-Methylpentanedioic acid CC(CCC(O)=O)C(=O)O Tox21_200529 -NCGC00091775-03 196701543 tox21-ror-cho-viability-p1 set1 -1.2 19.3311819617 -32.5734644 -3.5 -36.0734644 1.0999999999 0.7837923607 0.0109599934 3.97601726 2.69280255 -7.53223651 -1.0460895 -9.52585522 -11.04754554 -8.52895768 -1.90634289 -1.24260007 -4.53146326 -4.09103274 -19.0930249 -15.18495954 -28.49312713 -30.477887 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00091830-04 196700316 tox21-ror-cho-viability-p1 set1 4 0.27027631 1.15381497 0.24120494 0.39058663 2.91568003 5.64442835 0.12936906 2.78810269 1.27546083 2.51609998 5.5649527 1.16639327 1.6302308 -0.61532988 -0.03356527 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00254280-01 196699912 tox21-ror-cho-viability-p1 set1 4 0.91429538 4.51775393 1.37854093 0.4427952 -6.0560838 3.51704581 1.99358684 1.03805832 0.14501668 -0.90524834 3.09306508 1.13586713 0.28510969 1.03712052 4.76353411 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 298-02-2 4790 144210716 A A Phorate CCSCSP(=S)(OCC)OCC Tox21_300398 -NCGC00254469-01 196699914 tox21-ror-cho-viability-p1 set1 4 0.39137977 -2.65361274 0.57478614 -0.83826613 -0.17626702 -2.31267361 -0.59899408 -3.99108537 -2.52222302 -3.59572653 -0.68666707 -0.01579586 5.28847072 1.51324404 5.45607132 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 75-99-0 6418 144210682 A A Dalapon CC(Cl)(Cl)C(=O)O Tox21_300364 -NCGC00255811-01 196700312 tox21-ror-cho-viability-p1 set1 -2.1 61.130564862 -110.8667769752 -2.9915992869 -113.8583762621 2.9022712143 0.9714100484 3.691E-7 -8.48622167 1.65368569 -3.19751147 -0.18446878 -0.70558425 0.23102756 -2.76129745 -5.20370694 -9.07136215 0.67750745 -11.02500548 -0.37202258 -7.30779804 -28.40972771 -88.26230718 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4422-95-1 78138 144212497 F F 1,3,5-Benzenetricarbonyl trichloride O=C(Cl)c1cc(cc(c1)C(Cl)=O)C(Cl)=O Tox21_302180 -NCGC00255220-01 196728018 tox21-ror-cho-viability-p1 set3 4 0.11648404 5.42384593 4.48579774 4.00571353 -1.78887557 0.6443858 3.40353318 3.56870258 6.7291721 2.88195274 4.70124755 -0.47757105 7.03617017 4.75618508 4.92748767 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-39-6 60976 144212124 A A Metepa CC1CN1P(=O)(N2CC2C)N3CC3C Tox21_301807 -NCGC00255854-01 196728012 tox21-ror-cho-viability-p1 set3 4 5.4482673282 -8.659241848 2.5 -6.159241848 1.3987170999 0.5316497607 0.1682831264 1.67827492 0.83011364 9.86817246 1.78266791 -2.14221395 3.81996814 0.75393365 2.39992845 1.86643521 1.30045017 -1.12625786 -1.13825286 -7.63270154 -4.23102426 0.43126153 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3249-53-4 41331 144212295 A A 4-Ethoxy-4-oxobut-2-enoic acid OC(=O)C=CC(=O)OCC Tox21_301978 -NCGC00091532-04 196728027 tox21-ror-cho-viability-p1 set3 -2.1 49.1509036116 -80.8913369666 -0.215171469 -81.1065084356 1.5094870999 0.9554777092 0.0000044403 -3.78085653 4.94981436 -0.28173918 -0.27914956 0.3333387 2.4627555 0.47974789 -5.84408236 3.29514206 -0.33848643 -3.88960513 -11.05655975 -15.89518751 -28.76561861 -62.20190033 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00255909-01 196728420 tox21-ror-cho-viability-p1 set3 4 -0.31870096 -1.41513704 -2.2581057 -1.46209003 -9.00759417 6.02490955 6.55336938 8.25212315 -1.92853224 -5.92382545 -1.28306921 3.16862578 5.9352841 -1.91819857 1.33327128 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5870-93-9 62592 144211694 A F Heptyl butanoate CCCCCCCOC(=O)CCC Tox21_301377 -NCGC00255443-01 196728424 tox21-ror-cho-viability-p1 set3 4 0 -2.44509027 -3.28461044 3.21936825 -6.86809771 -2.99945688 -16.00735324 -9.04430642 7.66251002 -8.73943852 -7.47883739 4.9501278 4.77124104 5.48510144 -2.44811973 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-95-2 7071 144212487 B Fns 3,3'-Diaminobenzidine Nc1ccc(cc1N)c2ccc(N)c(N)c2 Tox21_302170 -NCGC00090965-04 196728426 tox21-ror-cho-viability-p1 set3 4 1.82464431 8.21544908 4.67422355 -0.78787476 5.23645146 11.42045214 2.27119308 0.74711879 13.10343679 8.91262853 -5.22944486 5.73335221 12.27133227 4.40527755 -6.2494006 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00255529-01 196728440 tox21-ror-cho-viability-p1 set3 4 9.6885416101 -5.4204161359 1 -4.4204161359 4.9549173134 0.5883121772 0.1077086088 3.25930397 -0.8348135 3.67025265 -1.95388479 1.52359629 0.86808003 -0.89413005 3.16157536 0.16196433 0.42843707 2.72527753 -0.71776193 -6.60034678 -2.29274718 -3.89863787 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 605-45-8 11799 144211829 A A Diisopropyl phthalate CC(C)OC(=O)c1ccccc1C(=O)OC(C)C Tox21_301512 -NCGC00256928-01 196726428 tox21-ror-cho-viability-p1 set3 4 0.65994911 2.51595358 0.22046479 0.51376222 0.5812869 0.01627213 1.03856126 -9.61261056 -2.30939288 2.80197288 -0.66918098 -9.43204381 0.15669186 -2.1367216 0.11864955 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 118-58-1 8363 144213363 A A Benzyl salicylate Oc2ccccc2C(=O)OCc1ccccc1 Tox21_303046 -NCGC00090680-06 196725593 tox21-ror-cho-viability-p1 set3 4 1.61930596 7.57047584 9.15328826 10.70095808 -0.43201851 1.50510824 6.44299035 4.26527988 5.27716406 10.08208258 -1.36034758 -2.47550737 10.27214277 -1.51285305 -1.66617692 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63-25-2 6129 170465695 D Carbaryl CNC(=O)Oc2cccc1ccccc12 Tox21_110994_1 -NCGC00015834-19 196725599 tox21-ror-cho-viability-p1 set3 4 0.0037578036 16.086482904 -15.586482904 0.5 1.8851180601 0.9125429677 0.0001650952 -14.65540242 -12.37131332 -11.6842677 -2.1203191 -0.8453479 -0.24766562 -1.51690964 -0.60322722 -0.86563758 1.78970016 -1.65259867 2.82796531 -1.72171871 2.38053785 1.51235735 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 125-33-7 4909 170464846 A Primidone CCC1(C(=O)NCNC1=O)c2ccccc2 Tox21_110238_1 -NCGC00256603-01 196726414 tox21-ror-cho-viability-p1 set3 4 -2.26414918 -0.41824187 3.2328925 0.21096061 -0.18183729 1.13143451 4.48740804 3.84555362 -1.8087554 1.89772166 0.18975869 10.8625408 -1.88858776 2.29496442 1.39424144 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 79-24-3 6587 144213140 FNS Nitroethane [O-][N+](=O)CC Tox21_302823 -NCGC00090858-02 196726430 tox21-ror-cho-viability-p1 set3 4 0.17029811 0.59682463 1.92587981 -1.39306239 0.73527186 1.57318495 -0.24454971 1.9072248 1.88708295 4.43251803 0.77646573 2.93429673 1.00849157 1.79016605 2.52748772 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00257139-01 196726829 tox21-ror-cho-viability-p1 set3 4 -1.27484539 -1.76114971 -4.38577139 0.01573204 -3.72148735 -3.99112129 -2.71161576 -1.48368149 -3.58102454 1.13114795 2.68877558 -4.83922204 -3.2637926 -0.24162672 0.99606827 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3252-43-5 18617 144213358 F Fns Dibromoacetonitrile BrC(Br)C#N Tox21_303041 -NCGC00259098-01 196706220 tox21-ror-cho-viability-p1 set1 -2.1 56.9853613336 -103.3006178921 -2.913000563 -106.2136184551 2.1210667061 0.97439555 1.967E-7 -3.61742137 -3.17014082 0.29492452 -5.81129894 -2.05802151 -3.12418805 -1.76271094 1.77120377 -1.12813702 0 -9.30052839 -10.32690637 -15.04162039 -33.73621538 -82.35880186 1.2249999999E-9 2.739E-9 6.125E-9 1.37E-8 3.063E-8 6.848E-8 1.531E-7 3.4239999999E-7 7.6559999999E-7 0.0000017119999999 0.000003828 0.00000856 0.00001914 0.0000428 0.000095709999999 140-72-7 8816 144208747 A A Cetylpyridinium bromide [Br-].CCCCCCCCCCCCCCCC[n+]1ccccc1 Tox21_201549 -NCGC00259914-01 196711197 tox21-ror-cho-viability-p1 set2 4 0.864370382 4.5045786 -2.0045786 2.5 4.4494702849 0.3980470166 0.2927249444 -0.02152351 -0.08023348 -2.60414998 -0.12491611 -2.36358364 -0.73988653 -10.0038155 -1.46583395 -0.86038163 5.63104061 0.46850952 3.97534365 0 2.51092584 -7.33911449 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.000041259999999 0.000092249999999 115-29-7 3224 144209563 Endosulfan ClC2=C(Cl)C3(Cl)C1COS(=O)OCC1C2(Cl)C3(Cl)Cl Tox21_202365 -NCGC00091011-05 196711201 tox21-ror-cho-viability-p1 set2 2.1 54.4826732819 215.1780016316 -3.3343156432 211.8436859884 3.1924983358 0.9746032822 1.876E-7 -0.03930005 -0.30915474 -1.1696602 -2.06931423 -0.64253085 -13.25288265 -14.91215457 -13.82697698 -0.14902133 -12.93324532 -1.56919987 8.44992501 17.884871 54.03003561 179.22477664 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00091080-03 196711594 tox21-ror-cho-viability-p1 set2 4 19.3311819617 14.9587789959 -6.4587789959 8.5 4.9549173134 0.3945307885 0.2767391753 2.25769099 1.91683844 -0.12727386 -12.16529504 -0.20291459 -0.8636438 -2.55830981 -15.46562583 -10.69528503 -16.63231583 -16.05855516 -8.54415009 0.24791187 7.94166447 8.38067581 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00091163-03 196705818 tox21-ror-cho-viability-p1 set1 4 0.0485577337 5.473036936 -4.973036936 0.5 4.9549173134 0.3387905201 0.3320209321 0.91288413 1.99189819 -12.47753078 -6.9558451 -8.21999711 0.6955844 0.13301698 0.42926673 -1.02978249 -1.62437322 -0.21899172 1.3749164 0.18112233 2.77540441 0.27128408 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00258929-01 196705819 tox21-ror-cho-viability-p1 set1 4 67.4751061423 -20.186678848 0.5 -19.686678848 4.9549173134 0.5378223384 0.1458238466 -0.40111426 -3.13731564 -0.18752754 -0.03677518 0.79199002 -10.04850674 1.12025957 -1.02677946 2.58735765 7.96039061 1.0203333 3.12492828 5.21232965 -0.90578229 -15.98889904 1.164E-9 2.603E-9 5.8199999999E-9 1.301E-8 2.91E-8 6.507E-8 1.4549999999E-7 3.254E-7 7.275E-7 0.0000016269999999 0.0000036379999999 0.000008134 0.00001819 0.00004067 0.00009094 814-80-2 13144 144208576 A A Calcium lactate [Ca+2].CC(O)C([O-])=O.[O-]C(=O)C(C)O Tox21_201378 -NCGC00259234-01 196706219 tox21-ror-cho-viability-p1 set1 -2.4 69.4274967035 -27.7269107319 0.5 -27.2269107319 4.9549173134 0.8542430233 0.0019847241 2.97589683 -2.4537605 -1.63610177 -0.44329703 -0.71454138 0.75098518 -0.24252481 -1.15645917 5.33444878 5.56046086 -0.82856944 -1.40404533 0.00680114 -0.14653531 -22.27242561 1.1919999999E-9 2.6649999999E-9 5.959E-9 1.332E-8 2.98E-8 6.662E-8 1.49E-7 3.331E-7 7.449E-7 0.0000016659999999 0.000003724 0.0000083279999999 0.00001862 0.00004164 0.00009311 58-08-2 2519 144208883 F Caffeine O=C2c1n(C)cnc1N(C)C(=O)N2C Tox21_201685 -NCGC00259769-01 196706222 tox21-ror-cho-viability-p1 set1 4 -12.84962573 -9.23559392 -10.52332724 -12.40413708 1.80815328 -11.33147555 -1.17629351 -2.5286489 -5.1244213 -10.30072964 4.3896494 -1.24013099 -5.12141698 -10.4140863 -9.88654732 1.167E-9 2.609E-9 5.8329999999E-9 1.304E-8 2.917E-8 6.522E-8 1.458E-7 3.261E-7 7.2919999999E-7 0.0000016299999999 0.000003646 0.000008152 0.00001823 0.000040759999999 0.00009115 92-69-3 7103 144209418 A A 4-Phenylphenol Oc1ccc(cc1)c2ccccc2 Tox21_202220 -NCGC00260011-01 196706228 tox21-ror-cho-viability-p1 set1 4 -0.13194724 0.09755561 0.53812425 0.16141734 -0.16711444 -2.27715367 -5.13845506 -7.4017252 -18.56947934 6.16406383 1.21592357 1.5062128 -0.90487792 -0.51302547 -0.61395989 1.1679999999E-9 2.6109999999E-9 5.838E-9 1.305E-8 2.919E-8 6.5269999999E-8 1.4599999999E-7 3.264E-7 7.298E-7 0.0000016319999999 0.0000036489999999 0.000008159 0.000018239999999 0.000040799999999 0.00009122 88-12-0 6917 144209660 A A N-Vinyl-2-pyrrolidone O=C1CCCN1C=C Tox21_202462 -NCGC00259929-01 196706232 tox21-ror-cho-viability-p1 set1 4 0.8493037 1.39017093 -0.28005104 6.25157127 6.4643055 -0.77463635 1.16902791 -5.5174988 -7.11096375 0 -0.92736278 4.21882415 0.08532628 2.81912183 6.33097419 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.977E-8 6.656E-8 1.4879999999E-7 3.3279999999E-7 7.441E-7 0.0000016639999999 0.000003721 0.00000832 0.0000186 0.0000416 0.000093019999999 108-91-8 7965 144209578 AC Fns Cyclohexylamine NC1CCCCC1 Tox21_202380 -NCGC00163903-03 196706233 tox21-ror-cho-viability-p1 set1 4 -0.12241716 -0.22193262 -1.33990589 0.24784225 1.00161348 0.78475789 0.28026501 -1.56957667 -5.4805623 9.05209343 -1.8154919 -1.90117736 -0.00396234 -1.55352776 7.5929501 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00091163-03 196703985 tox21-ror-cho-viability-p1 set1 4 3.66115155 0.66017048 1.42816574 3.81848996 0.18819987 -0.13976497 -0.30730016 1.62607208 6.21353955 -3.26139447 6.18216721 2.27919912 -0.3100148 0.21413185 -0.63089661 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00257295-01 196707298 tox21-ror-cho-viability-p1 set1 4 38.5707788719 9.9479680839 -12.0308880959 -2.082920012 2.2526478767 0.3285608902 0.3417624643 -12.26259159 -5.89592402 -12.71427395 -12.73545564 -12.67682842 -12.98585994 -2.56910001 -12.60190839 -17.52574008 -14.16685781 -15.57918092 -11.74524067 -10.20985311 -6.63959168 -3.51938387 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-66-3 8205 144213769 A Fc Dodecyl acetate CC(=O)OCCCCCCCCCCCC Tox21_303459 -NCGC00024846-08 196704391 tox21-ror-cho-viability-p1 set1 4 0.7497803863 4.7562061761 0.2437938239 5 4.9549173134 0.4866120713 0.193179617 0.2357245 0.24037 0.43693763 -0.51328187 0.55165025 0.2448725 -1.91672996 7.04106126 -3.54683848 3.92351238 4.86542213 5.26507416 5.38976336 3.50598172 4.73723922 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5051-62-7 3517 170465364 A Guanabenz Clc1cccc(Cl)c1/C=N/NC(=N)N Tox21_110932_1 -NCGC00260056-01 196703978 tox21-ror-cho-viability-p1 set1 -1.1 10.2826729338 -100.9024507342 -1.530872237 -102.4333229712 0.7999999999 0.9805769094 4.01E-8 0.27679506 -0.23713153 0.45493029 -7.51813344 -1.19459108 -7.88795265 -7.54624873 -2.44756109 -13.08117508 -21.48039525 -41.36924852 -40.91255245 -60.60298923 -82.29872482 -89.85379208 1.2399999999E-9 2.7739999999E-9 6.202E-9 1.387E-8 3.101E-8 6.934E-8 1.55E-7 3.467E-7 7.752E-7 0.000001733 0.000003876 0.000008667 0.000019379999999 0.00004334 0.0000969 11024-24-1 6537502 144209705 Digitonin [H][C@@]12O[C@]3(CC[C@@]([H])(C)CO3)[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]3([H])[C@@]([H])(CC[C@@]4([H])C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)C[C@]34C)[C@]1([H])[C@@H]2O Tox21_202507 -NCGC00260238-01 196703988 tox21-ror-cho-viability-p1 set1 4 3.74785683 4.28741955 4.67846593 7.68827937 -2.93604491 2.79290707 0.33278819 7.0337051 2.19919164 0.62965557 0.82152641 5.36494776 2.35384699 5.571581 2.5240374 1.193E-9 2.667E-9 5.9649999999E-9 1.3339999999E-8 2.982E-8 6.669E-8 1.491E-7 3.3339999999E-7 7.456E-7 0.0000016669999999 0.000003728 0.000008336 0.00001864 0.00004168 0.0000932 343952-33-0 11492406 144209888 A A 1-Butyl-4-methylpyridinium tetrafluoroborate Cc1cc[n+](CCCC)cc1.F[B-](F)(F)F Tox21_202690 -NCGC00263659-01 196704403 tox21-ror-cho-viability-p1 set1 4 0.02209852 3.33270779 3.26444072 -1.1902804 0.70482416 0.43430447 4.06576931 3.799486 2.9176507 0.32470508 0.69158511 -3.67642269 2.4985763 1.5577289 4.96141143 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1180-71-8 179651 170465751 A Limoni C[C@]35CC[C@@H]1[C@@]76COC(=O)C[C@@H]7OC(C)(C)[C@@H]6CC(=O)[C@@]1(C)[C@@]45O[C@@H]4C(=O)O[C@H]3c2ccoc2 Tox21_111513_1 -NCGC00015703-06 196704405 tox21-ror-cho-viability-p1 set1 4 -0.07004822 4.56656861 -0.89751888 -1.31738128 0.58048771 0.31640858 0.56213371 -0.83979151 -0.78128187 -2.90844904 0.41165926 -0.53004618 -2.25773197 -0.88544014 1.30120081 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60-40-2 4032 170465225 A Mecamylamine CNC2(C)C1CCC(C1)C2(C)C Tox21_110198_1 -NCGC00178500-07 196704408 tox21-ror-cho-viability-p1 set1 4 -1.8828378 0.67049315 -0.48323994 -0.19232953 2.77393413 6.2940217 1.30578205 2.97729918 -1.7899143 1.76808959 1.58070428 4.96822073 2.69479097 2.29315009 5.46700196 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 18883-66-4 29327 170464827 F Streptozotocin O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)N(C)N=O Tox21_110585_1 -NCGC00181290-01 196704411 tox21-ror-cho-viability-p1 set1 -2.4 23.7101376556 -29.59331326 0.5 -29.09331326 1.4163171 0.8608139662 0.0016017907 1.59348922 2.38733508 0.54446627 1.3610206 0.00313909 1.93703005 -1.0137206 0.9269867 -6.42312828 1.08781654 -1.49061461 1.92351569 -8.60344766 -10.89796601 -21.32776105 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1239-29-8 14708 144206325 A A Furazabol C[C@]5(O)CC[C@@H]4[C@]5(C)CC[C@H]1[C@H]4CC[C@H]2Cc3nonc3C[C@]12C Tox21_112772 -NCGC00095795-06 196704415 tox21-ror-cho-viability-p1 set1 4 -2.34993047 0.15049172 0.3509241 -0.56881454 -3.46977698 -1.95173191 -2.86796829 -3.89042425 0.33521295 -2.48398688 -1.26741338 -3.05504698 0.37601901 -0.70739131 0.05505181 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72-80-0 6301 170465701 F 5,7-Dichloro-8-hydroxy-2-methylquinoline Oc1c(Cl)cc(Cl)c2ccc(C)nc12 Tox21_113490_1 -NCGC00016265-08 196726171 tox21-ror-cho-viability-p1 set3 4 3.99128667 1.71583327 0.31438487 -0.58473738 -0.98583258 -0.94051019 1.44067946 -0.89201615 0.93667921 -1.43790118 1.41659151 -1.17441749 0.17698309 2.48147624 2.81549217 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-30-3 6037 170464833 A Folic acid O=C(O)[C@H](CCC(=O)O)NC(=O)c1ccc(cc1)NCc2cnc3NC(N)=NC(=O)c3n2 Tox21_111559_1 -NCGC00263468-01 196725758 tox21-ror-cho-viability-p1 set3 4 0 0 6.19203987 9.82908482 -12.60856714 6.84390863 -18.36490026 -17.37683782 7.03153915 -20.41374568 7.43242839 10.09666333 7.06880692 1.71921083 -4.68536821 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 34592-47-7 93176 170466577 Z L-Thioproline O=C(O)[C@@H]1CSCN1 Tox21_112310_1 -NCGC00160664-03 196726155 tox21-ror-cho-viability-p1 set3 -2.4 13.3331902297 -28.1034843759 -0.5 -28.6034843759 2.4729283767 0.9401053546 0.0000224632 1.63775075 2.33518034 -1.5701045 -1.85074059 1.40962978 -0.64374539 1.67187274 -4.60184247 2.47623745 -0.21389604 -4.56635813 -1.77748054 -8.56107834 -20.57872156 -28.83623698 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4008-48-4 19910 170466124 A Nitroxoline [O-][N+](=O)c1ccc(O)c2ncccc12 Tox21_111969_1 -NCGC00159330-03 196726169 tox21-ror-cho-viability-p1 set3 1.4 0.1496008549 17.1421637799 -1.6421637799 15.5 0.5 0.6957950098 0.0491442017 -0.95180315 0.6120388 1.07515053 2.56482644 -0.78075937 3.13487512 7.76841896 6.0515607 9.93179218 11.97695182 6.31707814 10.94732585 22.66927046 9.3468057 4.26574243 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69975-86-6 50942 170466312 A Doxofylline O=C2c1n(cnc1N(C)C(=O)N2C)CC3OCCO3 Tox21_111577_1 -NCGC00256620-01 196726568 tox21-ror-cho-viability-p1 set3 3 28.2105108924 52.9738180818 -2.1293684839 50.8444495979 4.9549173134 0.9614146844 0.0000020068 -2.69911854 -6.35780707 -2.60667005 -5.7555848 -5.68495811 0 0 0 -4.8516021 -2.51766805 0 -0.21507611 0.25353163 2.60828095 44.82716622 5.113E-10 1.1429999999E-9 2.556E-9 5.716E-9 1.278E-8 2.858E-8 6.391E-8 1.429E-7 3.1949999999E-7 7.145E-7 0.000001598 0.000003572 0.000007988 0.00001786 0.000039939999999 33032-12-1 6436730 144213936 A A Methapyrilene fumarate O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.CN(C)CCN(Cc1cccs1)c2ccccn2.CN(C)CCN(Cc1cccs1)c2ccccn2 Tox21_303631 -NCGC00255229-01 196726587 tox21-ror-cho-viability-p1 set3 4 17.2289340586 -13.566171212 1 -12.566171212 2.4063783767 0.9205913836 0.000100788 2.76579762 1.26116028 0.03578665 -0.20382916 0.28260108 0.10082507 -0.70119733 1.04011372 1.29768003 4.37558617 1.71397673 -0.98099698 -7.10957201 -9.61339448 -13.38847601 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52-01-7 5833 144212471 F A Spironolactone CC(=O)S[C@@H]4CC1=CC(=O)CC[C@]1(C)[C@H]5CC[C@@]3(C)[C@@H](CC[C@]23CCC(=O)O2)[C@H]45 Tox21_302154 -NCGC00257073-01 196726592 tox21-ror-cho-viability-p1 set3 4 23.30069772 -1.33101485 0.11667177 0.57646301 -0.10641608 0.58257585 3.94472287 0.00691303 0.9661066 6.04695618 1.02877233 5.64314417 0.72059956 0.26960547 5.13114387 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-21-4 7915 144213604 Fns Isopropyl acetate CC(=O)OC(C)C Tox21_303287 -NCGC00256589-01 196726988 tox21-ror-cho-viability-p1 set3 -1.1 27.3060203028 -85.4917387011 -1.45162031 -86.9433590111 4.0949729863 0.9766205325 1.167E-7 3.95020413 0.80847153 0.1083772 -1.47814983 2.74715133 -0.65498414 -2.02110952 -2.29109009 -1.30024657 -1.84838915 -12.91729198 -1.10485748 -21.10869442 -68.83065482 -90.56599897 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 1461-25-2 15098 144213210 F F Tetrabutyltin CCCC[Sn](CCCC)(CCCC)CCCC Tox21_302893 -NCGC00257313-01 196726993 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -15.13824322 -1 -16.13824322 4.4494702849 0.3593109677 0.3115763667 6.7092343 0.05548959 -3.94689646 2.46038487 2.23086181 -1.19468653 -13.03186935 -1.53104155 -2.16484468 -1.05370183 -0.21802379 -0.19456336 0.44466463 -2.59608144 -12.89936665 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 712-50-5 12837 144213955 A Cyclohexylphenylketone O=C(c1ccccc1)C2CCCCC2 Tox21_303653 -NCGC00256339-01 196727009 tox21-ror-cho-viability-p1 set3 -1.2 4.8557733675 -41.5486000334 -1.769088807 -43.3176888404 4.9549173134 0.9733934433 2.45E-7 -1.03263418 -0.13143661 1.10043544 -2.35432868 0.03718239 0.301204 -1.04351408 -5.75262071 -3.8164627 -3.37567505 -8.81717976 -46.40358024 -46.59045263 -39.03602397 -38.50851968 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 20624-25-3 517546 144213129 F Sodium diethyldithiocarbamate trihydrate O.[Na+].O.O.CCN(CC)C([S-])=S Tox21_302812 -NCGC00257864-01 196730434 tox21-ror-cho-viability-p1 set3 4 0.0022131839 28.682662008 -32.682662008 -4 0.8999999999 0.4459860636 0.227738193 -22.10108037 -23.03436127 -10.64235692 0 -1.75627002 -23.90221834 -5.28897635 -3.55068795 0 -0.63608548 0 -0.10756323 -5.37230942 -10.41948738 -6.3970094 1.1999999999E-9 2.683E-9 5.999E-9 1.3409999999E-8 2.999E-8 6.707E-8 1.5E-7 3.353E-7 7.499E-7 0.000001677 0.000003749 0.000008384 0.00001875 0.00004192 0.00009373 3101-60-8 18360 144207508 A F tert-Butyl phenyl glycidyl ether CC(C)(C)c2ccc(OCC1CO1)cc2 Tox21_200310 -NCGC00258090-01 196730023 tox21-ror-cho-viability-p1 set3 4 0.85089112 -1.86212652 -2.88492073 0.43806981 1.35112887 0.13641959 0.10337802 0.82595755 0.06414551 -0.69606553 -0.69626111 1.49985003 1.95762142 -0.23938141 6.54389384 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.6159999999E-8 1.479E-7 3.3079999999E-7 7.397E-7 0.0000016539999999 0.0000036989999999 0.0000082699999999 0.000018489999999 0.00004135 0.00009247 594-65-0 61144 144207734 A 2,2,2-Trichloroacetamide ClC(Cl)(Cl)C(N)=O Tox21_200536 -NCGC00357049-01 196712022 tox21-ror-cho-viability-p1 set2 4 -3.61375997 -12.47229338 -24.52281773 -8.9841645 -22.03720066 0 0 -39.13533477 -33.58057279 0 -8.34067423 -16.86304553 -20.07412774 -3.32916031 -21.12541227 6.96E-10 1.556E-9 3.48E-9 7.782E-9 1.7399999999E-8 3.8909999999E-8 8.6999999999E-8 1.945E-7 4.3499999999E-7 9.727E-7 0.000002175 0.0000048639999999 0.00001088 0.000024319999999 0.00005438 4390-04-9 20414 251919900 Fc 2,2,4,4,6,8,8-Heptamethylnonane CC(C)(C)CC(C)CC(C)(C)CC(C)(C)C Tox21_303743 -NCGC00260186-01 196711617 tox21-ror-cho-viability-p1 set2 -2.1 54.0397254733 -79.9634474923 0.5981570539 -79.3652904384 3.5722481694 0.9644839745 0.0000012593 1.58553524 2.91017251 0.03185714 4.80230034 0.9311393 -0.26160029 3.99070832 3.01570004 1.03123815 -0.59039285 -10.73050254 -0.48359071 -0.30404343 -20.30174706 -69.21612912 1.172E-9 2.6199999999E-9 5.859E-9 1.31E-8 2.9299999999E-8 6.551E-8 1.465E-7 3.275E-7 7.324E-7 0.0000016379999999 0.000003662 0.0000081889999999 0.00001831 0.00004094 0.000091549999999 848641-69-0 53316406 144209836 F 1-Ethyl-3-methylimidazolium diethylphosphate C[n+]1ccn(CC)c1.[O-]P(=O)(OCC)OCC Tox21_202638 -NCGC00260368-01 196712012 tox21-ror-cho-viability-p1 set2 4 -1.71419921 -31.36561748 -5.43878335 -12.43753136 -3.34758356 0 -31.83415579 -4.87794062 -9.77942316 -7.65790449 -4.10030889 -4.39277253 0 -10.462509 -9.46114953 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.6799999999E-8 1.494E-7 3.34E-7 7.468E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004175 0.000093349999999 3344-77-2 137895 144210020 F F 12-Bromo-1-dodecanol BrCCCCCCCCCCCCO Tox21_202822 -NCGC00260657-01 196712016 tox21-ror-cho-viability-p1 set2 4 4.2163249602 -7.6311333999 2 -5.6311333999 4.9549173134 0.3393742969 0.3305039054 2.46137439 -0.6465334 2.45609784 -0.55124759 3.28970469 0.85500033 4.30690124 4.28732014 2.12280568 -1.62788198 4.53925171 -0.84296114 -14.2759445 6.19661689 -9.77148226 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49553 144210310 M M NTP Mix23 AR2 2-EQP Tox21_203112 -NCGC00260343-01 196712024 tox21-ror-cho-viability-p1 set2 4 -17.89111341 -1.72818493 -13.05095639 -3.82575048 -4.68280043 0 -29.15222423 0 -31.96938984 -14.89860345 -18.45561564 -17.21369312 0 -20.59302802 13.5518715 3.104E-10 6.9419999999E-10 1.552E-9 3.471E-9 7.7609999999E-9 1.735E-8 3.8809999999E-8 8.677E-8 1.94E-7 4.339E-7 9.7009999999E-7 0.000002169 0.000004851 0.00001085 0.00002425 85100-77-2 25153273 144209995 F 1-Butyl-3-methylimidazolium bromide Br.CN1C=CN(CCCC)C1 Tox21_202797 -NCGC00357014-01 196712029 tox21-ror-cho-viability-p1 set2 4 11.577365042 -15.585247816 -2 -17.585247816 4.9549173134 0.8288228933 0.0041280769 -4.61467685 -4.01065824 -5.1403496 -0.65540277 -3.54759602 -2.25864191 -1.45256241 -1.38924211 -1.98777687 -0.4528693 -2.8932489 -1.83709917 2.03972717 -7.57967979 -17.15437318 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 17354-14-2 3766139 251919799 A 1,4-Bis(butylamino)anthracene-9,10-dione O=C2c1ccccc1C(=O)c3c2c(ccc3NCCCC)NCCCC Tox21_303986 -NCGC00357135-01 196712426 tox21-ror-cho-viability-p1 set2 4 -15.68790104 1.52599549 0.49755605 -1.67403878 -0.90250339 -1.60540223 1.15268437 -9.45806429 -0.85743058 -8.92789946 -10.68807636 0 -10.32627493 -8.6299497 -19.85319993 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 319-86-8 727 251919672 F delta-Hexachlorocyclohexane Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H]1Cl Tox21_303873 -NCGC00090704-03 196712842 tox21-ror-cho-viability-p1 set2 2.4 48.5577336745 20.582408488 -0.082408488 20.5 3.0654483358 0.8356948765 0.0034265243 -0.76428506 -0.82535609 0.05636405 -0.683371 6.93134201 -0.38259169 0.67094197 0.09062969 -1.32744461 1.68862209 -1.00443636 -2.56867374 0.29923658 8.0735643 17.6977058 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00183868-02 196712855 tox21-ror-cho-viability-p1 set2 4 0.93423131 1.51672597 -1.31398055 3.06471157 2.78222694 0.74456474 2.03785909 1.54724965 -0.53142618 -1.36944906 1.99777121 2.46267778 2.99590574 2.70029009 2.55768063 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 18046-21-4 28871 170466003 A Fentiazac O=C(O)Cc1sc(nc1c2ccc(Cl)cc2)c3ccccc3 Tox21_111788_1 -NCGC00091086-02 196707459 tox21-ror-cho-viability-p1 set1 4 -6.84881111 0.86759643 0.63441272 -14.94128091 -0.4641123 -15.63371218 -0.88574711 -0.33346445 -1.42422368 -15.59246303 -20.82587145 1.81877467 1.33114872 1.77274932 3.43358896 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00255425-01 196707049 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -25.567985456 1 -24.567985456 4.9549173134 0.9443669864 0.0000152115 2.13622938 0.08547351 -0.65636717 -0.97577682 -0.40965329 -0.06212305 3.34903148 2.14266038 1.69795174 1.7312576 1.13410441 -0.59967379 0.92989663 -0.15262628 -19.63998788 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68-96-2 6238 144211847 A A 17alpha-Hydroxyprogesterone CC(=O)[C@@]3(O)CC[C@H]2[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_301530 -NCGC00091532-04 196707056 tox21-ror-cho-viability-p1 set1 -2.2 34.7961750105 -40.0492934683 -4 -44.0492934683 0.7 0.8611525576 0.0015781296 -5.88750927 -6.62864642 -7.57126838 -8.44041477 0.75149015 -7.38957654 -7.26233419 0.73520591 -7.51187422 -11.8354912 -13.46211083 -12.71998666 -16.67627348 -26.35345999 -33.37067687 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00256898-01 196707061 tox21-ror-cho-viability-p1 set1 4 5.43411192 0.38688547 2.2707402 -1.03764578 2.31080892 1.32118853 6.45126421 -0.7179542 3.07821169 1.45045232 1.62015326 -0.69578232 4.95011005 2.01202951 -0.33108833 2.359E-9 5.276E-9 1.18E-8 2.638E-8 5.8979999999E-8 1.3189999999E-7 2.949E-7 6.595E-7 0.000001475 0.000003297 0.0000073729999999 0.000016489999999 0.00003687 0.00008243 0.0001843 67952-65-2 528143 144212908 I Fns (Methylthio)methylpyrazine Cc1cnc(SC)cn1 Tox21_302591 -NCGC00256421-01 196708129 tox21-ror-cho-viability-p1 set1 4 -11.67249445 0.83243137 -8.19658561 -15.19418033 -16.48854387 -9.9515246 -12.209887 -23.11786498 -7.86519046 -17.70220144 -14.71989212 -4.54738477 -12.14890858 -2.97123908 -8.27607165 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 930-55-2 13591 144213230 A F N-Nitrosopyrrolidine O=NN1CCCC1 Tox21_302913 -NCGC00257193-01 196707710 tox21-ror-cho-viability-p1 set1 4 34.3762428541 9.3610591759 -1.3610591759 8 0.6 0.4211278282 0.2549100198 0.77922753 -0.29815613 -2.74441094 0.27015901 -6.13421598 -2.39427421 -0.60594481 0.61640524 -1.36728266 1.04300682 4.75217509 -1.38076086 -0.59080445 5.25391315 5.00743304 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81-20-9 6672 144213654 F A 1,3-Dimethyl-2-nitrobenzene Cc1cccc(C)c1[N+](=O)[O-] Tox21_303337 -NCGC00256415-01 196708112 tox21-ror-cho-viability-p1 set1 4 -5.92303642 -4.63958998 -12.35007844 -9.89917557 -3.10885567 -9.1357093 -3.55052417 0.1667017 -11.9618101 -6.78470597 -12.90623441 -4.33879809 -5.03501336 -5.09366521 -1.92159065 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51333-22-3 40000 144213132 A A Budesonide OCC(=O)[C@@]53O[C@@H](O[C@@H]5C[C@H]2[C@@H]4CCC1=CC(=O)C=C[C@]1(C)[C@H]4[C@@H](O)C[C@@]23C)CCC Tox21_302815 -NCGC00257480-01 196708130 tox21-ror-cho-viability-p1 set1 4 -2.27338779 9.05662596 7.09969819 -1.41611894 7.27354883 1.58050039 -1.4490431 7.16389504 7.80892986 5.90007953 6.85865449 8.0416833 -2.20098871 -1.73055843 1.68880701 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-99-2 7169 144213900 A A Phenyl benzoate O=C(Oc1ccccc1)c2ccccc2 Tox21_303595 -NCGC00256505-01 196708133 tox21-ror-cho-viability-p1 set1 -2.4 61.130564862 -36.473878236 2 -34.473878236 2.09374246 0.8192451083 0.005176866 0.08857923 0.52553941 2.67007476 -0.03529095 -0.5258462 0.42221032 0.74509734 9.65953291 7.77814168 0.7115453 4.12042477 0.24153039 -5.56894857 -5.65792299 -25.39489853 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-51-4 4650 144213287 F Ac 1,4-Benzoquinone O=C1C=CC(=O)C=C1 Tox21_302970 -NCGC00259705-01 196708524 tox21-ror-cho-viability-p1 set2 4 27.4171332585 -9.757357632 -0.5 -10.257357632 4.9549173134 0.4722260344 0.2231857076 1.3843559 -1.9719961 -5.29553538 -3.09028332 -0.83417957 2.35428598 -4.89015469 -0.76332597 2.23952606 0.29434188 -0.12672552 1.28206645 -0.75822039 -9.38113136 -0.97805882 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.481E-7 3.311E-7 7.4029999999E-7 0.000001655 0.000003701 0.0000082769999999 0.00001851 0.00004138 0.00009253 689-67-8 19633 144209354 A A 6,10-Dimethyl-5,9-undecadiene-2-one C/C(C)=C\CCC(C)=CCCC(C)=O Tox21_202156 -NCGC00259493-01 196708529 tox21-ror-cho-viability-p1 set2 4 -0.69891897 0.05659997 -2.68499605 -2.17275259 4.00233193 -0.39267268 -0.08309084 0.07702586 0.63893707 -0.95172567 0.44675142 0.62894256 1.20479814 -0.38675144 1.06477369 1.152E-9 2.575E-9 5.759E-9 1.288E-8 2.879E-8 6.438E-8 1.44E-7 3.219E-7 7.198E-7 0.00000161 0.000003599 0.000008048 0.000018 0.00004024 0.00008998 65-45-2 5147 144209142 A A Salicylamide O=C(N)c1ccccc1O Tox21_201944 -NCGC00259619-01 196708537 tox21-ror-cho-viability-p1 set2 -3 68.5198756601 -104.2226582292 0.761730354 -103.4609278752 4.5044702849 0.9908679442 5E-10 0.52287818 1.45157395 2.31479004 5.27084894 3.80444432 -0.72304051 1.77848378 0.10627489 -0.40210702 1.02590402 -0.23275169 -0.08361016 -3.87452552 -9.57125419 -82.11184752 1.179E-9 2.6359999999E-9 5.8929999999E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.294E-7 7.367E-7 0.0000016469999999 0.0000036829999999 0.000008236 0.00001842 0.000041179999999 0.00009208 54965-24-1 2733525 144209268 A A Tamoxifen citrate O=C(O)C(O)(CC(=O)O)CC(=O)O.CN(C)CCOc1ccc(cc1)/C(c2ccccc2)=C(/CC)c3ccccc3 Tox21_202070 -NCGC00258896-01 196708538 tox21-ror-cho-viability-p1 set2 4 0.3770375 0.16963933 -0.28863215 1.70281035 3.15867011 1.73830479 1.09120804 1.5731427 3.95820982 2.48706369 1.89723194 4.83067381 1.80890832 3.83173336 0.96837095 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.00004125 0.000092249999999 123-01-3 31237 144208542 AC Fns Dodecylbenzene CCCCCCCCCCCCc1ccccc1 Tox21_201344 -NCGC00024809-07 196705234 tox21-ror-cho-viability-p1 set1 4 2.02632328 1.18280479 5.27327858 0.50263584 1.33758688 2.69569928 1.58197476 5.68659125 0.81356864 4.73946018 0.74535256 4.30132302 0.11980994 1.83639695 1.77480423 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54-80-8 4930 170466606 A Pronethalol CC(C)NCC(O)c1ccc2ccccc2c1 Tox21_110927_1 -NCGC00166300-02 196704818 tox21-ror-cho-viability-p1 set1 4 2.9849294812 5.261483752 -2.761483752 2.5 4.9549173134 0.4364403249 0.2398032082 -7.30123646 -3.70682845 -0.36814976 -3.25706179 -2.92610531 -1.16985147 -0.11006854 -0.45168669 -1.55706497 -3.80067903 -4.22339727 2.50548935 2.19892459 -2.17631593 6.17295723 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 41468-25-1 38882 170466028 D Pyridoxal phosphate hydrate O.Oc1c(C=O)c(cnc1C)COP(=O)(O)O Tox21_112399_1 -NCGC00249938-01 196704820 tox21-ror-cho-viability-p1 set1 4 -2.08970259 -3.26586409 -1.07577335 -1.63112174 -1.8751078 -1.58524099 -2.83508345 -1.72175596 -3.83609067 -1.66364505 -2.93230311 -2.58501239 -0.28266539 -1.88625652 -1.38762625 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3459-20-9 23691021 170465939 A F Glymidine sodium [Na+].O=S(=O)([N-]c1ncccn1)c2cc(OCCOC)ccc2 Tox21_113714 -NCGC00016804-02 196705233 tox21-ror-cho-viability-p1 set1 -2.4 23.7101376556 -23.289587208 -1 -24.289587208 3.0654483358 0.9567938617 0.0000037995 0.79485452 -1.94702059 -2.15689552 -0.76610868 -0.40696885 -2.23350026 -2.31796797 -0.76257506 -1.9774179 -0.52104556 1.58042815 0.64182243 -1.62298267 -9.7343556 -21.90798934 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 30544-47-9 35375 170466266 A Etofenamate FC(F)(F)c1cc(ccc1)Nc2ccccc2C(=O)OCCOCCO Tox21_110618_1 -NCGC00357289-01 196724562 tox21-ror-cho-viability-p1 set3 -1.2 0.0854027363 -45.4185123015 2.068318292 -43.3501940095 2.5884283767 0.9407883647 0.0000210353 -3.7774732 5.19078365 -0.78283813 -4.04472953 6.5209258 7.7480154 -17.49041502 -31.36198244 -40.97555837 -50.88561876 -41.5040065 -47.78909658 -47.83959106 -42.39273632 -33.14338464 5.427E-10 1.213E-9 2.713E-9 6.067E-9 1.357E-8 3.034E-8 6.7829999999E-8 1.517E-7 3.3919999999E-7 7.5839999999E-7 0.000001696 0.0000037919999999 0.000008479 0.00001896 0.000042399999999 143201-11-0 23663992 251919809 F Cerivastatin sodium [Na+].CC(C)c1nc(c(/C=C/[C@@H](O)C[C@@H](O)CC([O-])=O)c(c1COC)c2ccc(F)cc2)C(C)C Tox21_303882 -NCGC00357082-01 196724551 tox21-ror-cho-viability-p1 set3 4 -7.9591641 -4.99821104 -3.19919462 -0.88803479 3.88820647 -2.98340987 -9.47537188 3.51704231 0.06359505 -0.83665004 7.12760258 -4.90717627 2.24516708 -2.61337216 -13.14995814 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131-52-2 23663539 251919749 Sodium pentachlorophenate [Na+].Clc1c([O-])c(Cl)c(Cl)c(Cl)c1Cl Tox21_303795 -NCGC00260180-01 196724555 tox21-ror-cho-viability-p1 set3 -2.4 77.6637265632 -30.254091412 -4 -34.254091412 4.9549173134 0.7432617572 0.0216004176 -5.37192514 1.55664788 1.04085301 0.87616907 -3.69618533 0.03748461 -8.89199647 -4.09946303 -6.71283615 -7.25179517 -8.07445354 -6.32425129 -4.42625959 -3.29351569 -26.87840951 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.9719999999E-8 6.6449999999E-8 1.486E-7 3.3219999999E-7 7.429E-7 0.0000016609999999 0.000003714 0.0000083059999999 0.00001857 0.00004153 0.00009286 81995-09-7 16211417 144209830 A A 1-Dodecyl-3-methylimidazolium iodide [I-].C[n+]1ccn(CCCCCCCCCCCC)c1 Tox21_202632 -NCGC00357246-01 196724558 tox21-ror-cho-viability-p1 set3 4 0.0054482673 14.3434738519 -9.8434738519 4.5 0.4 0.6967161414 0.040217067 -6.53622821 -2.02470629 -1.4010814 -2.05058005 0.44597265 -0.14191794 1.3326758 3.9163945 -1.67722008 5.7436858 3.83765403 3.01753682 3.5684896 1.40189669 6.86625853 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7005-72-3 23436 251919936 A 1-Chloro-4-phenoxybenzene Clc2ccc(Oc1ccccc1)cc2 Tox21_304039 -NCGC00015610-17 196724976 tox21-ror-cho-viability-p1 set3 4 0.6682424727 20 4 24 0.6 0.4062736032 0.2820830316 0.95511596 3.45597218 5.52704436 13.12449773 8.77802348 0 20.35004067 3.67006843 0 15.56642472 25.97256789 24.54525422 18.23192848 14.5995635 0.11894301 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 75706-12-6 3899 170464823 A Leflunomide Cc2oncc2C(=O)Nc1ccc(cc1)C(F)(F)F Tox21_110182_1 -NCGC00091146-08 196725376 tox21-ror-cho-viability-p1 set3 4 -11.66026921 -11.34555914 -1.85121224 0.80095438 4.22358256 2.11699592 -10.34436496 -9.69787659 -3.54334205 -9.38905202 3.4625453 1.97561149 -2.42220083 -4.031882 -11.30622507 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 92-84-2 7108 170466563 A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_111090_1 -NCGC00091210-02 196724978 tox21-ror-cho-viability-p1 set3 4 -4.92607164 -2.97840109 -0.15256314 -1.6006476 3.93515255 4.64321409 6.64177921 -12.95304941 -2.04268458 0.15631049 -3.18555126 3.62718243 -7.97000062 -4.2823833 -7.68193881 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00186464-03 196725370 tox21-ror-cho-viability-p1 set3 4 0 -1.57996078 3.70164498 1.65674247 2.27271299 6.67004987 -12.06282929 -12.07725501 5.45029588 -13.30040847 -12.74612306 -5.90187078 6.62583083 -10.76897598 -10.33477373 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 173399-03-6 23625795 170465199 A Aliskiren hemifumarate Cl.NC(=O)C(C)(C)CNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc1cc(OCCCOC)c(cc1)OC)C(C)C)C(C)C Tox21_113592_1 -NCGC00183848-01 196725372 tox21-ror-cho-viability-p1 set3 1.4 0.2984929481 26 -1 25 0.3 0.7251023386 0.027859086 0.61960293 3.41518188 7.70007211 0 4.61538637 13.562138 10.98372913 17.85033582 9.09949565 10.20563488 10.92322076 17.30757296 15.74570934 21.83283705 22.40381596 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 145918-75-8 151173 144206819 Z Z Troxacitabine OC[C@H]1OCC(O1)[N@@]2C=CC(N)=NC2=O Tox21_113268 -NCGC00253651-01 196725378 tox21-ror-cho-viability-p1 set3 4 -2.76806234 0 -2.05831479 -2.78416642 -4.69557566 -0.76124535 2.92738586 -6.01819562 -0.30703126 -5.81129538 -0.31859272 1.20276515 2.33719435 1.96089806 -0.95275537 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6320-03-2 80599 170466754 F Fc o-Chlorothiophenol Sc1ccccc1Cl Tox21_113777 -NCGC00183003-01 196725381 tox21-ror-cho-viability-p1 set3 1.2 3.3491459627 36.9506635828 2.0903612435 39.0410248263 4.9549173134 0.9553846166 0.0000044927 2.49338042 6.15057887 0.83999982 -1.39086963 3.7685928 6.31553993 -3.00765845 -0.64014951 2.59589834 7.13642857 0.88007605 31.37047362 38.45491541 34.06958675 43.00131388 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16488-48-5 27891 144206803 A A Depolipon [Cl-].CC[NH+](CC)CCOC(=O)c1ccc(NCCCC)cc1 Tox21_113252 -NCGC00091088-05 196725390 tox21-ror-cho-viability-p1 set3 4 -0.33022177 -8.14509614 10.03656471 -0.20417317 -0.11475448 -1.7748827 -0.48193223 -2.22999813 -5.7054422 -8.57370191 -2.28559134 -2.42831426 -3.99926729 -1.36018767 0.48228292 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00258426-01 196715332 tox21-ror-cho-viability-p1 set2 -2.2 34.271392867 -50.637458329 -1.403313725 -52.040772054 1.21 0.9390579754 0.0000245916 -2.19777994 -2.74051778 0.8472372 -0.53471205 -0.33223373 0 -1.50526762 -3.30797341 0.70780563 -3.70739822 -6.7630849 -13.13865269 -17.281858 -23.04019314 -48.18590005 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.0000016459999999 0.00000368 0.000008228 0.000018399999999 0.000041139999999 0.000091989999999 131-89-5 8540 144208070 A A Dinex [O-][N+](=O)c1cc(c(O)c(c1)[N+]([O-])=O)C2CCCCC2 Tox21_200872 -NCGC00254782-01 196714917 tox21-ror-cho-viability-p1 set2 -1.1 1.7228934059 -91.1702091886 0.0683612199 -91.1018479687 2.7867712143 0.995394954 0 -1.01287096 1.73320897 0.31561736 1.19710926 -1.08294891 0.69887099 1.57271471 0.35354305 -13.21783861 -40.21091848 -86.89190237 -85.90222197 -86.84348789 -92.43750799 -92.58317883 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-56-1 7511 144211195 A Phenylmercuric chloride Cl[Hg]c1ccccc1 Tox21_300878 -NCGC00258537-01 196715311 tox21-ror-cho-viability-p1 set2 4 -0.30475432 0.0350443 0.3212364 -0.55375545 -1.16345015 0.2850071 0.67585942 -3.46839642 0.41130592 0.35166552 0.11239928 0.56788194 1.03420351 1.24726224 6.42946452 1.202E-9 2.688E-9 6.01E-9 1.344E-8 3.005E-8 6.719E-8 1.5019999999E-7 3.36E-7 7.5119999999E-7 0.0000016799999999 0.0000037559999999 0.0000083989999999 0.00001878 0.00004199 0.0000939 107-02-8 7847 144208182 FNS Acrolein C=CC=O Tox21_200984 -NCGC00257568-01 196715326 tox21-ror-cho-viability-p1 set2 4 0.41722165 0.16461648 0.00890543 1.09066898 -0.29113618 1.28266514 -1.11240909 -2.13822498 -1.889856 0.97854308 0.47197917 -0.93469877 -2.32308631 1.74454378 0.31539086 1.194E-9 2.67E-9 5.9699999999E-9 1.335E-8 2.985E-8 6.675E-8 1.493E-7 3.337E-7 7.463E-7 0.000001669 0.0000037309999999 0.0000083439999999 0.00001866 0.00004172 0.00009329 869-24-9 13363 144207212 A 1-Chloro-2-(diethylamine)ethane hydrochloride Cl.CCN(CC)CCCl Tox21_200014 -NCGC00091284-03 196713276 tox21-ror-cho-viability-p1 set2 4 -5.0531183 -5.63524512 -2.41628707 -2.0910577 -3.53884291 -4.46141087 -2.36742106 -3.76962312 -4.44136494 -1.21125702 -3.08926702 0.19211526 -0.39062814 -5.39415029 -2.78839348 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00183855-01 196712861 tox21-ror-cho-viability-p1 set2 4 16.7854920005 8.6716188799 -2.1716188799 6.5 0.6999999999 0.5394762846 0.1478820972 -6.8096824 -0.93154087 -0.3005213 -1.29252416 -0.00133684 -3.0626449 -1.10431898 -2.84843799 -0.34534221 -2.25760677 -1.08283368 0.06637777 2.73044063 0.92539257 4.23550676 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 34645-84-6 65394 144206863 A A Fenclofenac Clc2cc(Cl)ccc2Oc1ccccc1CC(=O)O Tox21_113312 -NCGC00095166-04 196712864 tox21-ror-cho-viability-p1 set2 4 3.07985153 2.10163834 3.62425526 0.65059673 2.21530903 -0.31928378 -0.87926259 0.91739751 -1.01056185 -3.0582859 0.19665056 -0.00336438 -3.00789001 -3.05769942 0.22510117 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 2971-90-6 18087 170465668 A Clopidol Oc1c(Cl)c(C)nc(C)c1Cl Tox21_111465_1 -NCGC00185769-01 196713262 tox21-ror-cho-viability-p1 set2 4 -4.42902787 -4.05343653 0.19497494 -4.53294017 -3.671777 -0.1739644 0.01011351 -0.03992848 -0.01467607 -0.57065874 2.13520281 1.33470642 1.08086325 0.24376416 1.9686572 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 49763-96-4 5311454 144207171 F F Stiripentol CC(C)(C)C(O)/C=C/c1ccc2OCOc2c1 Tox21_113622 -NCGC00167426-03 196713675 tox21-ror-cho-viability-p1 set2 4 8.4126743008 17.7645173959 -3.7645173959 14 0.7999999999 0.9199307007 0.0001051309 -1.7578176 -5.26784481 -5.63709783 -4.21755226 -4.53528427 -2.61381396 -1.32869715 -4.36277394 -0.60557425 -1.7937949 0.45268438 1.44880405 4.57698777 10.205977 9.64922175 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 125-86-0 517304 170465518 A Caramiphen edisylate O=S(=O)(O)CCS(=O)(=O)O.CCN(CC)CCOC(=O)C1(CCCC1)c2ccccc2.CCN(CCOC(=O)C1(CCCC1)c2ccccc2)CC Tox21_112430_1 -NCGC00015562-25 196713689 tox21-ror-cho-viability-p1 set2 4 -3.99602473 -5.02841502 -5.26179917 -3.03692005 -2.4061527 -3.82557503 -3.27050523 -3.6916035 -4.28969142 -4.86177578 -0.85074248 -1.89574716 -1.47796485 -0.81056925 2.41921975 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53-86-1 3715 170464705 A Indomethacin Clc1ccc(cc1)C(=O)n3c2ccc(cc2c(CC(=O)O)c3C)OC Tox21_113109_1 -NCGC00091426-02 196713698 tox21-ror-cho-viability-p1 set2 4 -5.70017141 -5.54719951 -3.88805872 -1.42406407 -1.86599327 -3.11947471 -2.89078918 -0.3488344 -3.21731319 -0.10624208 -1.78249297 -0.42125027 -0.32520354 -3.33910944 -9.1605064 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00254297-01 196714090 tox21-ror-cho-viability-p1 set2 -2.4 43.2771256911 -24.025538572 -3 -27.025538572 1.6604358099 0.8108322796 0.0063104992 -6.08498204 -3.58021656 -4.88641608 -3.57158184 -0.46102925 -2.79703927 -6.09341536 0.08749041 -3.29104226 -1.8372783 1.85625845 -5.21464988 -12.30606057 -11.11919082 -24.18794881 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 368832-42-2 9888347 144210765 A A CP-728663 CC[C@H]4CC[C@H](NCc1cc3c(cc1OC)[C@H]2C[C@H]2C(=O)N3C)[C@@H](N4)c5ccccc5 Tox21_300447 -NCGC00259938-01 196708548 tox21-ror-cho-viability-p1 set2 4 1.39218858 2.14698361 -0.30425946 4.38812566 1.71071061 1.16965327 2.18191679 2.22594163 0.26489179 0.5013243 3.12347566 -0.71148185 1.09558114 -2.15715625 -1.93462269 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.365E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.00004117 0.00009206 75-47-8 6374 144209587 A Fns Iodoform IC(I)I Tox21_202389 -NCGC00258259-01 196715586 tox21-ror-cho-viability-p1 set2 -1.1 24.4603135873 -81.2501244544 -0.23124309 -81.4813675444 4.0949729863 0.9918255278 3E-10 -3.24441344 2.77142061 -0.11080619 -1.90870551 -2.08196993 3.99736468 -2.95660428 -0.16691474 -0.25377039 0.15066317 -2.64690618 2.19409014 -21.77657221 -70.09671489 -83.31506622 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.626E-8 1.482E-7 3.3129999999E-7 7.408E-7 0.000001656 0.000003704 0.000008282 0.00001852 0.000041409999999 0.000092589999999 485-47-2 10236 144207903 Ac Ac Ninhydrin O=C2c1ccccc1C(=O)C2(O)O Tox21_200705 -NCGC00258876-01 196709360 tox21-ror-cho-viability-p1 set2 4 3.6229627 0.7519302 2.53537706 -4.12160909 3.11172683 4.17998202 0.79924178 1.70949936 3.98424127 1.76026216 0.30668621 4.98206585 4.43202476 3.38495723 4.951576 1.198E-9 2.6779999999E-9 5.989E-9 1.339E-8 2.995E-8 6.696E-8 1.497E-7 3.3479999999E-7 7.486E-7 0.0000016739999999 0.0000037429999999 0.00000837 0.000018719999999 0.00004185 0.00009358 97-99-4 7360 144208522 A A Tetrahydrofurfuryl alcohol OCC1CCCO1 Tox21_201324 -NCGC00163953-03 196708543 tox21-ror-cho-viability-p1 set2 -2.1 64.8164987557 -86.2581253338 4.473230199 -81.7848951348 1.24751 0.7484692941 0.019878796 8.57714213 1.87682561 7.43789891 1.82958414 3.36273558 4.37474588 4.99681487 4.39215361 6.34833319 5.15092709 3.41370553 3.81490782 -34.48690442 -5.17347526 -61.95825389 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00259228-01 196708958 tox21-ror-cho-viability-p1 set2 4 3.03347991 -1.26082519 3.61780846 3.48981451 -0.26255137 2.87591352 -1.29591866 2.29532911 -1.63350873 0.71136983 0.90472133 -0.0889748 -1.48191664 -0.7005329 2.63486135 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23564-05-8 3032791 144208877 A A Thiophanate-methyl S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC Tox21_201679 -NCGC00259418-01 196709368 tox21-ror-cho-viability-p1 set2 4 -1.31868565 -1.18324906 0.15039287 -2.56451623 1.25619237 10.26523021 2.15482716 9.55278591 -0.57612094 -0.00215692 -2.81117945 -2.13864262 -0.59718331 -0.46077434 -3.64270491 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.558E-8 1.466E-7 3.279E-7 7.3319999999E-7 0.0000016389999999 0.0000036659999999 0.000008197 0.00001833 0.00004099 0.00009165 118-58-1 8363 144209067 A A Benzyl salicylate Oc2ccccc2C(=O)OCc1ccccc1 Tox21_201869 -NCGC00259867-01 196709381 tox21-ror-cho-viability-p1 set2 4 -1.28439565 0.14848506 -1.79738849 2.44825346 1.61254204 3.71229626 -1.36232923 0.18606704 0.20589213 -2.01997044 2.29101136 1.10873671 -0.04100121 0.17615984 0.66545173 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.6509999999E-8 1.487E-7 3.325E-7 7.436E-7 0.000001663 0.000003718 0.000008313 0.00001859 0.00004157 0.000092939999999 99-76-3 7456 144209516 A A Methylparaben Oc1ccc(cc1)C(=O)OC Tox21_202318 -NCGC00259985-01 196709772 tox21-ror-cho-viability-p1 set2 4 48.0150530903 -19.446175776 1 -18.446175776 1.5094870999 0.8327819161 0.0037227829 4.18174102 -0.22152697 -1.65534432 1.61375923 2.46453396 3.05010559 -0.50008354 -1.54724954 -0.283822 2.6951843 -0.77260285 -1.96117337 -1.85127423 -6.58786503 -13.70514648 1.1689999999E-9 2.615E-9 5.8469999999E-9 1.3069999999E-8 2.9239999999E-8 6.537E-8 1.462E-7 3.269E-7 7.309E-7 0.0000016339999999 0.0000036539999999 0.0000081709999999 0.00001827 0.00004086 0.000091359999999 95-33-0 7232 144209634 A F N-Cyclohexyl-2-benzothiazolesulfenamide c1cccc2sc(nc12)SNC3CCCCC3 Tox21_202436 -NCGC00255625-01 196709788 tox21-ror-cho-viability-p1 set2 4 4.13497595 4.22096797 -0.00892396 3.0501753 1.5080731 2.66384401 -0.07413431 1.09370952 0.08367765 1.00301075 2.03974322 -1.35729293 2.27357902 3.11595993 9.75734311 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2050-99-9 62421 144212549 A F 2,8-Dimethylnonan-5-one CC(C)CCC(=O)CCC(C)C Tox21_302232 -NCGC00255401-01 196710188 tox21-ror-cho-viability-p1 set2 4 -0.55465743 1.59066414 -0.0205298 0.39415331 -2.25474239 -0.47029501 -2.05125335 -1.84905927 0.73344977 0.07518059 -0.20991196 -1.76274134 -0.77813203 1.01138605 7.44501441 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 61-68-7 4044 144212300 A A Mefenamic acid O=C(O)c2ccccc2Nc1cccc(C)c1C Tox21_301983 -NCGC00255997-01 196710213 tox21-ror-cho-viability-p1 set2 4 0.41735009 -0.62408088 -1.807913 -1.82499287 0.15940735 -0.00854558 0.43085539 0.34612796 0.76971679 1.15097789 -2.33090419 0.97828525 -1.68845319 -1.63190256 0.70942492 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 578-54-1 11357 144211693 A Fns 2-Ethylaniline CCc1ccccc1N Tox21_301376 -NCGC00091468-02 196710622 tox21-ror-cho-viability-p1 set2 4 0.0015621149 10.352504008 -9.852504008 0.5 4.9549173134 0.8603372895 0.0017182029 -7.79375334 0.01722074 -0.48933404 -0.42733139 0.61415207 0.96316257 0.12717901 -0.13391509 2.63493685 1.91215378 0.04791682 -0.40989934 1.02023329 0.64655962 0.24049943 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00256096-01 196710626 tox21-ror-cho-viability-p1 set2 4 1.13998656 0.79219971 0.14860697 -2.87036581 -2.14046834 -2.14099796 -4.31651015 -8.38876624 -0.41572841 -2.4573357 -2.99120239 -0.56622997 -2.68874066 -2.43610196 -1.63411801 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4724-48-5 78452 144212559 A A Octylphosphonic acid O=P(O)(O)CCCCCCCC Tox21_302242 -NCGC00256429-01 196727466 tox21-ror-cho-viability-p1 set3 4 -0.88770202 0.45967426 -1.34678028 1.12582295 -1.04796107 -1.73544341 -1.05728067 -0.35348976 0.31874276 -0.67548534 6.45217303 1.03717384 -1.61702445 -0.61636829 -0.16619374 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6959-47-3 23392 144213050 A Ac 2-(Chloromethyl)pyridine hydrochloride Cl.ClCc1ccccn1 Tox21_302733 -NCGC00256476-01 196727464 tox21-ror-cho-viability-p1 set3 4 0.11426847 -0.48136452 -1.3142594 0.07037229 -1.31448953 1.41505396 2.52886123 1.19030594 1.28335444 0.03613875 2.86984198 2.32866669 -0.39992584 -0.48072324 0.37987981 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-97-4 8086 144213176 A A Diisopropanolamine CC(O)CNCC(C)O Tox21_302859 -NCGC00255301-01 196727896 tox21-ror-cho-viability-p1 set3 4 1.28900089 -5.2439804 -3.1803868 3.19127399 -12.10358885 8.33688854 5.82192158 7.82944536 -8.48797387 7.40100751 4.61723423 7.4375057 11.31575009 2.92086035 3.72880756 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2873-97-4 17888 144212434 A A Diacetone acrylamide C=CC(=O)NC(C)(C)CC(=O)C Tox21_302117 -NCGC00256472-01 196727476 tox21-ror-cho-viability-p1 set3 4 1.09435754 -0.47416024 -1.56800356 -0.03748156 -0.19491872 0.22842482 -0.17801637 0.48699208 1.71725883 4.10545025 3.70379634 0.8167422 2.22305759 -0.01446317 1.50586337 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 134-32-7 8640 144213122 A C 1-Naphthylamine Nc2cccc1ccccc12 Tox21_302805 -NCGC00255126-01 196727887 tox21-ror-cho-viability-p1 set3 4 42.790702864 -9.6208924359 -0.5 -10.1208924359 2.3331733767 0.4654066872 0.2122672118 0 -2.10806236 -1.70392075 -1.13628705 1.74062889 -3.01341966 3.48874672 -0.7932428 -5.78594072 2.9823694 2.8474004 0.55999838 -2.18113295 -4.52166174 -8.43407703 1.062E-9 2.374E-9 5.309E-9 1.187E-8 2.654E-8 5.935E-8 1.327E-7 2.968E-7 6.636E-7 0.000001484 0.000003318 0.000007419 0.00001659 0.0000371 0.00008295 33419-42-0 5284558 144212518 A A Etoposide COc1cc(cc(OC)c1O)[C@@H]5c2cc7OCOc7cc2C(O[C@@H]3O[C@@H]4CO[C@@H](C)O[C@H]4[C@H](O)[C@H]3O)C6COC(=O)[C@H]56 Tox21_302201 -NCGC00255867-01 196728294 tox21-ror-cho-viability-p1 set3 4 3.44333913 1.03227672 0.44351765 -0.99754544 3.4686955 0.55224646 9.21580098 4.37096367 3.39489718 4.18755186 0.82590064 1.71411233 2.54753433 2.47734198 3.77431393 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90717-03-6 91749 144212189 A A Quinmerac O=C(O)c1c(Cl)ccc2cc(C)cnc12 Tox21_301872 -NCGC00255275-01 196728705 tox21-ror-cho-viability-p1 set3 4 2.4810334 9.17639633 8.76421728 0.97998841 -2.08811138 8.62048625 9.70078534 -2.12229546 -0.71998859 -3.33313687 -0.74577088 6.53202726 1.68230199 4.5595636 1.07328369 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25451-15-4 3331 144212685 A A Felbamate NC(=O)OCC(COC(N)=O)c1ccccc1 Tox21_302368 -NCGC00256005-01 196728711 tox21-ror-cho-viability-p1 set3 4 0.0048557734 11.4910842839 -3.4910842839 8 1.752947691 0.3768720427 0.2944403521 -2.07590357 -1.95578459 6.13956596 1.21353916 11.08936186 13.09010483 12.59442004 4.63709731 -0.25344983 7.9979498 14.28944008 3.44372384 9.4462356 3.25465053 11.94148503 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 34487-61-1 23686673 144212448 A I Phenol Red sodium salt [Na+].Oc1ccc(cc1)C3(OS(=O)(=O)c2ccccc23)c4ccc([O-])cc4 Tox21_302131 -NCGC00255956-01 196728716 tox21-ror-cho-viability-p1 set3 4 1.01695295 -1.88310735 -0.44829611 3.25962999 6.02540269 -0.11332942 -4.24909584 -4.93019716 7.58779508 3.60517496 -0.11570682 -0.47830172 -3.63266744 7.45514638 4.07483596 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-08-2 7275 144212531 Z A Limonene dioxide CC12CCC(CC2O1)C3OC3C Tox21_302214 -NCGC00255598-01 196728717 tox21-ror-cho-viability-p1 set3 4 3.49404807 -0.00417857 11.18121916 2.17994564 -2.0126294 0.42264339 2.09151343 -2.39024743 4.45830341 4.35178552 -1.77431164 1.15988346 -1.65544979 0.87614552 -1.62074619 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-73-7 7403 144211654 A A 4-tert-Butylbenzoic acid CC(C)(C)c1ccc(cc1)C(=O)O Tox21_301337 -NCGC00163906-02 196728719 tox21-ror-cho-viability-p1 set3 4 3.6710751 -2.09811538 0.66244135 -1.28938317 -2.38701062 3.64456876 9.39076193 2.10436201 -0.03662017 -5.48964737 7.42114124 -0.39520763 5.42727111 -1.88287246 0.81515806 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00255993-01 196729128 tox21-ror-cho-viability-p1 set3 2.2 28.7936906021 44.3652100872 -1.813818248 42.5513918392 2.2526478767 0.9160909084 0.0001321979 -3.65493857 1.47253549 -0.83117201 -0.79881678 -4.43262263 -0.21413026 -4.92946502 -2.93110815 -6.09484854 -4.11081757 -0.50855306 10.05444324 1.50491001 28.48437626 41.73255364 1.018E-9 2.277E-9 5.091E-9 1.1379999999E-8 2.545E-8 5.691E-8 1.2729999999E-7 2.846E-7 6.363E-7 0.000001423 0.0000031819999999 0.0000071139999999 0.00001591 0.00003557 0.00007954 51-05-8 5795 144212431 A A Procaine hydrochloride Cl.Nc1ccc(cc1)C(=O)OCCN(CC)CC Tox21_302114 -NCGC00256208-01 196729135 tox21-ror-cho-viability-p1 set3 4 0.14452136 1.8376132 -0.25745238 0.3505802 0.77139828 9.63919913 10.54511466 3.56534254 -4.17374317 9.49141099 -1.90068943 -3.49474665 -0.43459949 -3.24769249 7.89016473 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1728-46-7 102681 144212598 A Ac 2-tert-Butylcyclohexanone O=C1CCCCC1C(C)(C)C Tox21_302281 -NCGC00095016-05 196716976 tox21-ror-cho-viability-p1 set2 -2.1 21.1316824289 -102.9696311222 4.3600856345 -98.6095454877 2.4063783767 0.9947049468 0 2.49659374 2.89073193 4.15473031 6.94826282 4.79181619 3.83083277 8.5166245 5.89634261 2.68673268 1.61747356 3.23608299 2.15955544 -6.63696744 -47.23587946 -84.28166281 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 37693-01-9 2799 170466615 A Clofoctol Clc2cc(Cl)ccc2Cc1cc(ccc1O)C(C)(C)CC(C)(C)C Tox21_111389_1 -NCGC00258668-01 196716161 tox21-ror-cho-viability-p1 set2 -3 61.5037543138 -69.1217910819 1.9302794255 -67.1915116564 3.9899729863 0.9901309361 8E-10 1.73347582 2.67925541 0.59637343 1.60433626 1.72700819 5.56750872 -1.48050037 3.26445869 1.2298507 1.50543549 0.83910693 1.61815007 1.18762468 -9.87037 -55.82690277 1.1859999999E-9 2.6519999999E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001853 0.000041439999999 0.000092669999999 458-37-7 969516 144208314 A A Curcumin Oc1ccc(cc1OC)/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2 Tox21_201116 -NCGC00257959-01 196716575 tox21-ror-cho-viability-p1 set2 4 0.43557532 0.69630769 1.44757138 1.59489771 -0.18472469 0 0.7581248 4.34803016 0.47511322 0.394418 0.68065978 0.77745986 0.12403365 0.98919378 1.99404647 1.172E-9 2.6199999999E-9 5.859E-9 1.31E-8 2.9299999999E-8 6.551E-8 1.465E-7 3.275E-7 7.324E-7 0.0000016379999999 0.000003662 0.000008188 0.00001831 0.00004094 0.000091549999999 505-29-3 10452 144207603 A A 1,4-Dithiane C1CSCCS1 Tox21_200405 -NCGC00258130-01 196716584 tox21-ror-cho-viability-p1 set2 -1.1 9.6294551845 -89.2048400257 -0.205382431 -89.4102224567 2.3331733767 0.9824595371 2.22E-8 -1.57891981 0.63539923 4.39674347 0.45170676 -0.07061546 -2.00713839 0.7682135 -0.59908483 -1.37393088 -1.748374 -17.63624256 -28.4396979 -83.0692791 -82.56593176 -87.65708084 1.1739999999E-9 2.624E-9 5.8689999999E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091699999999 23906-97-0 3015167 144207774 A A Tetraoctylphosphonium bromide [Br-].CCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CCCCCCCC Tox21_200576 -NCGC00091253-05 196717396 tox21-ror-cho-viability-p1 set2 4 -1.18793289 -1.2629438 -1.57215661 1.28443453 -4.4737813 -4.28441913 -0.58464933 -2.80146228 -2.5494899 -3.89358082 -0.25609714 -2.16329192 -8.27760569 -1.48986628 -2.4926919 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00262927-01 196717401 tox21-ror-cho-viability-p1 set2 4 -1.18759106 -1.05270761 0.51490877 0.05137877 2.23869804 1.04337725 -1.48750967 -0.54521647 4.24529502 0.89153859 3.70631524 -0.53688352 -1.23781485 -0.57875766 2.47775643 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72822-13-0 6917787 170466549 A Dapiprazole hydrochloride Cl.Cc4ccccc4N3CCN(CCc1nnc2CCCCn12)CC3 Tox21_113035_1 -NCGC00016065-11 196717409 tox21-ror-cho-viability-p1 set2 4 0.5308038637 6.5252620399 -5.5252620399 1 2.7202212143 0.3769811994 0.2948869414 0.03138982 -5.93075907 -9.64670584 -5.8463101 -2.00029051 -5.62034316 0.32071239 -15.0210517 -2.40664805 0.01130183 -1.04703532 0.03004129 0.95955592 1.41431212 1.94921878 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1508-75-4 5593 170464754 A Tropicamide OCC(c1ccccc1)C(=O)N(CC)Cc2ccncc2 Tox21_110297_1 -NCGC00016618-04 196717412 tox21-ror-cho-viability-p1 set2 4 -2.28487488 -5.73577133 -6.07211778 -3.23650554 -1.46623453 -9.14819669 -3.60890132 -2.83295594 -1.38187223 -0.50428827 -0.60136782 0.08515154 -0.31819444 -2.39419842 -11.32361337 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2773-92-4 9883104 170465516 A Dimethisoquin hydrochloride Cl.CN(C)CCOc2nc(cc1ccccc12)CCCC Tox21_110528_1 -NCGC00254636-01 196714923 tox21-ror-cho-viability-p1 set2 4 -0.03612844 -5.09964521 -2.36953918 -10.08364828 -1.85048792 -9.09533411 -14.79392286 -6.02805138 -6.46960604 -6.51306854 -5.72535392 -3.4143524 -7.60615041 -4.65536379 -10.2306404 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 333-41-5 3017 144211047 A D Diazinon Cc1cc(OP(=S)(OCC)OCC)nc(n1)C(C)C Tox21_300730 -NCGC00254891-01 196714110 tox21-ror-cho-viability-p1 set2 4 -4.59475551 -8.94950446 0.67124909 -5.21054296 0.16470507 -3.77379795 -3.88763116 -8.47699972 0.51052886 -1.82789466 -7.21200351 0.90226739 -0.48829129 -0.4748708 -1.95447841 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-21-4 8039 144211306 AC Ac Biurea NC(=O)NNC(N)=O Tox21_300989 -NCGC00254596-01 196714521 tox21-ror-cho-viability-p1 set2 4 -2.78034399 -0.86758787 1.20120173 -7.54722179 -2.38837294 -2.74738254 -6.84063812 -2.68773975 1.92691035 -1.0681522 -1.82668327 -1.10162026 1.74023478 -3.95965344 1.29242737 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 335-67-1 9554 144211005 PFOA FC(F)(C(F)(F)C(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300688 -NCGC00254364-01 196714530 tox21-ror-cho-viability-p1 set2 -2.2 34.3762428541 -46.8273775025 -1.970070483 -48.7974479855 2.2526478767 0.9024823415 0.000283808 1.86006955 1.17303484 -0.21259676 -10.76813046 -0.62451309 1.59322582 1.6232529 -6.46619919 1.85732126 -7.65715278 0.99102707 -9.8507472 -8.80311685 -29.63402679 -47.84063528 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 510-15-6 10522 144210911 A A Chlorobenzilate OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(=O)OCC Tox21_300594 -NCGC00258446-01 196715953 tox21-ror-cho-viability-p1 set2 4 68.8687250228 -11.583423524 2 -9.583423524 4.0949729863 0.3629385225 0.3095090466 0.26598586 -0.37914223 2.96568715 -1.65405352 3.75202555 5.0415635 0.1669541 5.02176925 -0.4505114 8.25416066 5.93702149 -1.56059125 -0.77067312 0.80852816 -6.73618627 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.324E-8 2.959E-8 6.618E-8 1.4799999999E-7 3.309E-7 7.399E-7 0.0000016539999999 0.0000036989999999 0.000008272 0.0000185 0.00004136 0.00009248 31127-54-5 919792 144208090 A A 2,3,4,4'-Tetrahydroxybenzophenone Oc2ccc(C(=O)c1ccc(O)cc1)c(O)c2O Tox21_200892 -NCGC00257899-01 196715954 tox21-ror-cho-viability-p1 set2 4 -1.01153702 0.0501107 -6.02400262 -1.55406211 -2.72241525 -2.04853036 -0.51280161 -2.76432343 1.2127631 0.60422186 -3.2156675 -0.40984242 1.39636292 0.22125374 -1.72044903 1.2709999999E-9 2.843E-9 6.3559999999E-9 1.421E-8 3.178E-8 7.1059999999E-8 1.589E-7 3.553E-7 7.945E-7 0.0000017769999999 0.000003973 0.000008883 0.00001986 0.00004441 0.00009931 62-53-3 6115 144207543 A A Aniline Nc1ccccc1 Tox21_200345 -NCGC00163903-03 196715543 tox21-ror-cho-viability-p1 set2 4 -0.19333022 -1.34910679 -6.17345211 0.16899411 -2.02145074 -1.09014102 -1.90059666 -5.17384963 -0.79297298 -1.04270068 -5.35667926 -2.35127237 -1.6628327 1.62524069 3.66907009 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00258749-01 196715941 tox21-ror-cho-viability-p1 set2 4 3.60110727 3.52753331 0.10040622 0.38918885 -0.06773288 3.41655539 2.36549656 -0.87287498 1.87302414 1.26044994 1.18730833 -0.96840772 -1.22506932 -2.62300083 -5.8403174 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9569999999E-8 6.613E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003697 0.000008266 0.00001848 0.00004133 0.000092409999999 1002-84-2 13849 144208395 A Ac Pentadecanoic acid O=C(O)CCCCCCCCCCCCCC Tox21_201197 -NCGC00258354-01 196715957 tox21-ror-cho-viability-p1 set2 4 0.61440439 0.85800783 1.00225592 0.20764667 1.17047395 -0.0460757 0.19375092 3.43522742 -1.74271313 0.02331606 -0.55941984 4.01462777 0.73621363 1.14045774 5.6284837 1.173E-9 2.6229999999E-9 5.865E-9 1.311E-8 2.9319999999E-8 6.557E-8 1.466E-7 3.2779999999E-7 7.3309999999E-7 0.0000016389999999 0.000003665 0.0000081959999999 0.00001833 0.00004098 0.00009164 18559-94-9 2083 144207998 A A Albuterol OCc1cc(ccc1O)C(O)CNC(C)(C)C Tox21_200800 -NCGC00257751-01 196715960 tox21-ror-cho-viability-p1 set2 4 -0.55954511 4.52177024 2.38918043 3.32263749 2.01282458 3.19277295 0.29107071 4.29351757 1.24233338 0.97307704 1.03432373 3.34564951 -0.79913122 4.69741766 -0.06278048 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.000008236 0.00001842 0.000041179999999 0.00009208 7758-94-3 10329304 144207395 Iron(II) chloride [Fe+2].[Cl-].[Cl-] Tox21_200197 -NCGC00258002-01 196716355 tox21-ror-cho-viability-p1 set2 4 6.35022824 3.54042541 3.48033789 3.36388496 4.49728788 -2.29063006 -1.1717923 0.57013021 1.29810845 3.90034153 5.09524345 -0.07835647 -1.59155119 2.6919844 4.05145613 1.195E-9 2.672E-9 5.975E-9 1.336E-8 2.988E-8 6.6809999999E-8 1.494E-7 3.34E-7 7.469E-7 0.0000016699999999 0.000003735 0.000008351 0.00001867 0.00004175 0.00009336 598-98-1 69027 144207646 FNS Methyl pivalate CC(C)(C)C(=O)OC Tox21_200448 -NCGC00258774-01 196716363 tox21-ror-cho-viability-p1 set2 -2.4 9.3545207184 -26.058955776 1 -25.058955776 1.8616924601 0.9659626925 9.944E-7 0.29562007 0.49551337 -0.51327219 3.24281685 0.8580382 1.18886861 0.41160697 0.28160166 1.74789893 0.39333506 -5.18415468 -7.44468394 -22.62826931 -20.4990261 -25.46579648 1.146E-9 2.562E-9 5.73E-9 1.281E-8 2.865E-8 6.406E-8 1.4319999999E-7 3.203E-7 7.1619999999E-7 0.000001602 0.0000035809999999 0.0000080079999999 0.00001791 0.000040039999999 0.000089529999999 918-00-3 13514 144208420 F 1,1,1-Trichloropropanone ClC(Cl)(Cl)C(C)=O Tox21_201222 -NCGC00257983-01 196716369 tox21-ror-cho-viability-p1 set2 4 -1.93788503 -0.66036432 3.82314382 0.54121112 2.3485715 -0.39299841 0.46525251 -1.56967166 -0.8044796 0.41357796 1.41341385 2.19892582 0.79229551 -1.43590133 0.02414673 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.4729999999E-7 3.295E-7 7.367E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.000041179999999 0.00009209 90-80-2 7027 144207627 I F Gluconolactone O[C@H]1[C@H](O)[C@@H](O)C(=O)O[C@@H]1CO Tox21_200429 -NCGC00257673-01 196716374 tox21-ror-cho-viability-p1 set2 4 -0.18605814 0.97417014 0.25506307 -3.3036553 -0.47508279 0.27032153 -6.52522777 -4.61757549 -0.13349656 0.2275764 -4.22656568 -4.67404707 -0.35156446 0.82696979 0.69065881 1.172E-9 2.6199999999E-9 5.858E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.275E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008187 0.00001831 0.000040929999999 0.00009153 103-89-9 7684 144207317 A A N-Acetyl-p-toluidine O=C(C)Nc1ccc(C)cc1 Tox21_200119 -NCGC00181765-01 196716767 tox21-ror-cho-viability-p1 set2 4 2.51109432 2.20654531 0.3681006 -1.20496251 2.5981384 -0.0798153 -0.71758929 -1.16644362 2.18008342 3.46162267 3.78294251 3.13974276 5.40476395 2.7136865 5.45346036 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103177-37-3 4887 144206505 F A Pranlukast hydrate O=C(Nc3cccc1c3OC(=CC1=O)c2nnnn2)c5ccc(OCCCCc4ccccc4)cc5 Tox21_112952 -NCGC00263571-01 196716768 tox21-ror-cho-viability-p1 set2 4 1.33763701 0.23865132 1.38688505 2.26151465 2.68340246 1.93354726 0.11255588 3.83049251 -0.12619515 0.35792137 -0.47469199 0.26441897 0.83668295 1.39739162 0.77550401 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23255-99-4 23662369 170465952 A Bendazac sodium [Na+].[O-]C(=O)COc3nn(Cc1ccccc1)c2ccccc23 Tox21_112465_1 -NCGC00357069-01 196724670 tox21-ror-cho-viability-p1 set3 4 -5.04619554 -1.09141823 0.45885447 -1.53609853 7.23554218 -2.14384932 0.91694975 1.48448997 -1.05594117 5.37720771 -4.67841909 -1.98551675 1.11434468 -1.86385861 6.4621834 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-97-7 6572 251919684 A Lactonitrile N#CC(C)O Tox21_303777 -NCGC00260208-01 196724682 tox21-ror-cho-viability-p1 set3 -2.1 60.447370484 -109.2456571913 -0.611744874 -109.8574020653 2.9022712143 0.9295398938 0.0000531355 0.20574877 4.68657565 7.1362621 -0.39183672 10.55872439 6.12571457 -0.95778628 -3.22249661 -4.24496749 -5.78634764 -6.91927314 -9.48951717 -13.14389534 -22.92514178 -85.55872435 1.1689999999E-9 2.615E-9 5.8469999999E-9 1.3069999999E-8 2.9239999999E-8 6.537E-8 1.462E-7 3.269E-7 7.309E-7 0.0000016339999999 0.0000036539999999 0.0000081709999999 0.00001827 0.00004086 0.000091359999999 171058-21-2 2734229 144209858 A A 1-Methyl-3-tetradecylimidazolium chloride [Cl-].C[n+]1ccn(CCCCCCCCCCCCCC)c1 Tox21_202660 -NCGC00357167-01 196724272 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -16.518663344 0 -16.518663344 4.9549173134 0.6695906796 0.05358221 -2.54956656 2.73195588 2.05480594 1.32422158 -0.76441473 -5.13587128 4.38549345 -2.31603725 -0.42014843 -1.08274195 0.23701196 -1.64915162 -0.58821846 0.21776997 -13.34888612 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-87-9 8492 251919654 A 2-Chloro-4-nitroaniline Nc1ccc(cc1Cl)[N+]([O-])=O Tox21_303921 -NCGC00357229-01 196724671 tox21-ror-cho-viability-p1 set3 4 0.0038570779 12.147448356 -9.647448356 2.5 0.4999999999 0.5157726753 0.1661069125 -6.37287363 -3.90309866 -1.14304171 -2.35206454 0.02337523 -1.91399247 1.80815156 0.89138911 1.95153573 1.61374315 6.86820704 -3.69159093 5.65040631 -0.45697659 4.10107932 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7492-66-2 5365794 251919676 F Citral diethyl acetal CCOC(/C=C(\C)CC\C=C(/C)C)OCC Tox21_304016 -NCGC00260424-01 196724692 tox21-ror-cho-viability-p1 set3 4 2.72529742 0.74654196 1.38164647 -7.05109177 -5.9308076 5.09015209 -0.81394741 2.66131617 2.33412371 2.12995524 3.39840002 1.08950927 3.78385305 0.08941458 2.03271824 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.629E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008287 0.00001853 0.000041429999999 0.00009265 92841-65-1 6931391 144210076 A A (4R,5S)-(-)-1,5-Dimethyl-4-phenyl-2-imidazolidinone C[C@@H]2N(C)C(O)=N[C@@H]2c1ccccc1 Tox21_202878 -NCGC00091499-05 196725088 tox21-ror-cho-viability-p1 set3 4 1.87706505 4.45382152 0.19873081 0.79247706 -1.526234 2.4304167 9.85607656 -2.60515504 1.05095374 6.36182759 4.87737578 0.0908733 2.91410178 -0.65842112 3.9559761 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00253595-01 196725090 tox21-ror-cho-viability-p1 set3 -2.1 23.7101376556 -124.4648749018 3.7364030316 -120.7284718702 3.5117481694 0.973064918 2.626E-7 4.97546132 0.31884208 6.9164704 -5.52326942 6.45092152 0.81919764 1.5472583 0.52184584 2.76147019 2.63439627 7.08629013 -0.07555882 13.37874574 -41.53167931 -111.16802198 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 47739-98-0 2793 170465785 A A Clocapramine Clc4ccc5CCc1ccccc1N(CCCN2CCC(CC2)(C(N)=O)N3CCCCC3)c5c4 Tox21_113731 -NCGC00181912-01 196725104 tox21-ror-cho-viability-p1 set3 4 0.0018833632 8.567651916 -6.567651916 2 3.2974983358 0.3132049709 0.3560566131 -7.13970993 -3.22365549 -1.39519451 4.17804376 4.95667514 -3.16070288 -1.66349773 9.75181434 3.72627697 -2.3711256 1.59934055 8.45745118 1.33708843 -1.23960124 -1.82628639 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127985-21-1 10251042 144206800 A A Iomazenil O=C(OCC)c3ncn2c3CN(C)C(=O)c1c(I)cccc12 Tox21_113249 -NCGC00015947-08 196725106 tox21-ror-cho-viability-p1 set3 4 0.7497803863 7.253860612 -4.753860612 2.5 2.9022712143 0.3259292332 0.3432880511 0 -8.21966713 1.47016922 -2.03054931 -11.46155051 4.47145694 -10.83791811 -11.4556833 -2.17927865 -1.16637065 1.9924273 2.49209509 1.02502111 2.51928084 2.85991637 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 115344-47-3 72124 170466829 A Siguazodan N#CN/C(NC)=N/c1ccc(cc1)C2=NNC(=O)CC2C Tox21_110264_1 -NCGC00164620-02 196725506 tox21-ror-cho-viability-p1 set3 1.2 0.5308038637 55.5931933439 -6.9983938719 48.594799472 0.9999999999 0.9794510606 0.0000046236 -4.56864491 -5.34025557 -8.79087862 -6.01409687 -9.99866156 -3.76016171 3.50021393 1.80777043 17.19472353 26.62953351 33.32048794 47.17169076 35.16613558 44.55719798 36.78759813 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 124858-35-1 4410 170465882 A Nadifloxacin O=C(O)C3=CN2C(C)CCc1c(c(F)cc(c12)C3=O)N4CCC(O)CC4 Tox21_112239_1 -NCGC00163953-03 196725513 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -41.3830672403 -1.5 -42.8830672403 4.9549173134 0.8808651805 0.0007628219 -0.77988017 -0.79225938 -8.53945384 -1.24725405 -5.88604397 -0.35373218 1.31380234 0.37329185 -4.10351584 4.27223482 1.71787182 0.6707744 -4.12104 -4.4854665 -35.22465654 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00254282-01 196720375 tox21-ror-cho-viability-p1 set3 -2.2 34.3762428541 -36.208537693 -3.556072649 -39.764610342 2.2526478767 0.934687946 0.0000356515 -5.96914924 -6.77874611 0.19103221 -7.27536564 -3.1723394 1.57581439 -6.08527497 -4.54201653 -5.3581405 -1.34567674 -4.49668082 -4.68290666 -9.42884357 -23.98554405 -38.9849121 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105624-86-0 11723708 144210948 A A 5HPP-33 CC(C)c1cccc(C(C)C)c1N3C(=O)c2ccc(O)cc2C3=O Tox21_300631 -NCGC00253973-01 196720775 tox21-ror-cho-viability-p1 set3 4 -2.18092644 -7.00231066 -0.12096119 2.32374187 -1.32969533 -2.25550651 -2.66856452 -9.19699142 3.61647691 -6.21230676 -7.27379539 -7.05311088 -6.95754295 -7.83629292 -1.34575559 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 115-28-6 8266 144210510 A A Chlorendic acid ClC2(Cl)C1(Cl)C(Cl)=C(Cl)C2(Cl)C(C1C(=O)O)C(=O)O Tox21_300190 -NCGC00254142-01 196720358 tox21-ror-cho-viability-p1 set3 4 1.32174701 7.15306114 12.66565298 -3.81535697 -2.56676984 7.68067976 8.30708672 1.1983279 -0.36863038 9.59487464 7.79119325 10.82728594 1.84869974 1.7272176 2.10731007 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-54-1 7338 144210623 D Isoeugenol Oc1ccc(cc1OC)C=CC Tox21_300303 -NCGC00254975-01 196720359 tox21-ror-cho-viability-p1 set3 4 -2.44732339 4.86827347 0.03709546 1.32914971 -2.25699125 0.3591968 1.87267082 2.18896657 0.20734949 -0.19691358 -6.41509618 1.70637248 0.67668029 1.09686729 1.69222045 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106797-53-9 86266 144211391 A A 2-Hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one CC(C)(O)C(=O)c1ccc(OCCO)cc1 Tox21_301074 -NCGC00254291-01 196720790 tox21-ror-cho-viability-p1 set3 4 0.0086349218 11.074473508 -11.074473508 0 1.21 0.599201152 0.0980911284 -7.76543569 -13.39539459 -4.44645231 -2.16024617 -5.10377315 -3.2915295 2.38258593 2.08903659 0.77493538 1.36146097 2.8949792 2.04716498 -4.80029056 -3.73729581 -0.78059103 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 230954-09-3 9866250 144210751 A A CP-544439 O=S(=O)(NC1(CCOCC1)C(=O)NO)c3ccc(Oc2ccc(F)cc2)cc3 Tox21_300433 -NCGC00258881-01 196721177 tox21-ror-cho-viability-p1 set3 4 -9.22846997 -6.4916241 -4.21131522 2.69636733 -1.62808398 -10.38983961 -3.56860939 -7.28443782 -9.69670206 -8.80658967 -14.38058078 -10.67033226 -8.08986416 -4.45548846 1.62523654 1.1609999999E-9 2.595E-9 5.804E-9 1.298E-8 2.9019999999E-8 6.489E-8 1.451E-7 3.244E-7 7.255E-7 0.000001622 0.0000036269999999 0.000008111 0.00001814 0.000040549999999 0.00009068 6959-47-3 23392 144208527 A A 2-(Chloromethyl)pyridine hydrochloride Cl.ClCc1ccccn1 Tox21_201329 -NCGC00258793-01 196721182 tox21-ror-cho-viability-p1 set3 -3 77.7421153793 -75.3611338063 -3.919101082 -79.2802348883 4.9549173134 0.9286623557 0.0000567635 -1.46316889 -6.93400732 1.27018948 -7.69580963 -1.84246639 -4.69435492 -8.80563488 -6.23709037 -1.77205403 -0.87719326 -3.64030192 -6.77112983 -10.3018555 0.39807462 -62.92082134 1.19E-9 2.661E-9 5.949E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003718 0.000008314 0.00001859 0.00004157 0.000092959999999 104-40-5 1752 144208439 A A 4-Nonylphenol Oc1ccc(CCCCCCCCC)cc1 Tox21_201241 -NCGC00259191-01 196721187 tox21-ror-cho-viability-p1 set3 4 1.78291189 2.68554884 -8.38144987 -9.51291832 5.37375433 -0.67022073 0.61835751 0.99116851 -0.3514238 -1.21674549 1.49213968 1.92387196 -4.29063138 -0.66329707 -6.85954607 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.96E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 3337-71-1 18752 144208840 D Asulam Nc1ccc(cc1)S(=O)(=O)NC(=O)OC Tox21_201642 -NCGC00259842-01 196721196 tox21-ror-cho-viability-p1 set3 4 30.980905983 13.2110120799 -1.2110120799 12 1.5385888099 0.7547769879 0.0183215901 -3.9258434 0.17227272 0.1850106 -3.77779344 0.63194586 -3.58586117 1.18501551 2.55976958 -2.80527803 -1.97013821 -2.88442554 1.27852688 3.24808677 6.3234295 10.45289682 1.191E-9 2.664E-9 5.9569999999E-9 1.332E-8 2.979E-8 6.66E-8 1.489E-7 3.33E-7 7.446E-7 0.000001665 0.0000037229999999 0.0000083249999999 0.00001862 0.00004163 0.00009308 7790-98-9 24639 144209491 B Ammonium perchlorate [NH4+].[O-]Cl(=O)(=O)=O Tox21_202293 -NCGC00189074-03 196722399 tox21-ror-cho-viability-p1 set3 -2.2 23.7101376556 -71.3655871679 4.5419231679 -66.823664 1.98874246 0.9177845039 0.000118933 16.73861136 9.72570973 3.99158109 6.45130982 5.87689257 -1.08395886 4.75130423 4.9083921 -0.00502656 2.92732941 1.45267376 -5.54132954 -1.49180882 -25.16314114 -52.42292528 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 212631-79-3 6918454 170466835 A PD-184352 O=C(NOCC1CC1)c3ccc(F)c(F)c3Nc2ccc(I)cc2Cl Tox21_113363_1 -NCGC00015841-11 196723224 tox21-ror-cho-viability-p1 set3 4 1.11954996 9.80069749 7.957894 4.71419817 29.63863841 16.06511503 9.05080899 2.03179384 -5.79220507 5.96490647 2.07265636 5.13599925 5.20712724 -3.59284025 11.69971171 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 306-07-0 9373 170465066 Z Pargyline hydrochloride Cl.CN(Cc1ccccc1)CC#C Tox21_110241_1 -NCGC00091517-06 196723636 tox21-ror-cho-viability-p1 set3 2.4 23.7101376556 26.06598842 1.93401158 28 0.7 0.7252583859 0.0278556162 2.83207159 2.58498785 3.90905498 2.54062728 2.06522584 -2.55499035 -0.70425221 -0.45185844 7.8576352 5.89517314 10.81872916 4.36296648 9.63695781 10.28610172 21.60959668 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-81-7 54670067 170464728 Z L-Ascorbic acid OC=1C(=O)O[C@H]([C@@H](O)CO)C=1O Tox21_112104_1 -NCGC00258878-01 196705647 tox21-ror-cho-viability-p1 set1 4 0.5503720285 19.131585592 -14.631585592 4.5 0.3 0.5846531483 0.1084133825 -12.60965466 -12.15610004 -8.83518477 -12.20817154 -4.41984743 -9.21396261 -11.28963353 -1.356101 -7.32677416 0 -6.49784021 4.66148176 -5.97756277 -2.42932045 5.02148724 1.19E-9 2.661E-9 5.951E-9 1.331E-8 2.976E-8 6.654E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.000003719 0.000008317 0.0000186 0.00004158 0.000092989999999 7775-27-1 62655 144208524 Sodium persulfate [Na+].[Na+].O=S(=O)([O-])OOS([O-])(=O)=O Tox21_201326 -NCGC00259854-01 196705640 tox21-ror-cho-viability-p1 set1 4 6.36435492 -0.2881077 -5.04003259 -0.53825554 3.9634905 -0.31397178 0.54381204 -6.14352301 4.24485346 10.19210632 -0.68853732 -4.26901105 0.31000651 2.56949352 1.07641665 1.1759999999E-9 2.631E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.288E-7 7.3529999999E-7 0.0000016439999999 0.000003676 0.000008221 0.000018379999999 0.0000411 0.000091909999999 95-48-7 335 144209503 A A o-Cresol Cc1ccccc1O Tox21_202305 -NCGC00090987-03 196705642 tox21-ror-cho-viability-p1 set1 4 -2.25175348 -0.14845682 -3.4519464 -1.53598164 -3.51824823 -1.47500515 -0.81919153 -0.61651159 -2.87020234 -1.67217335 0.93699476 -0.01443645 -0.34017216 -0.35437212 1.30122347 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00259655-01 196705662 tox21-ror-cho-viability-p1 set1 4 60.3853254505 18.9041000559 -4.9041000559 14 1.0999999999 0.4197294655 0.2534280666 -0.51564799 -9.32619931 0 -6.08140978 -0.63564916 -4.52007641 -8.36310728 -4.70350714 -13.67008338 0.05753597 -7.04437971 -0.37638472 1.64867386 -1.59145317 8.68940631 1.1679999999E-9 2.6109999999E-9 5.838E-9 1.305E-8 2.919E-8 6.5269999999E-8 1.459E-7 3.2629999999E-7 7.297E-7 0.0000016319999999 0.000003648 0.0000081579999999 0.000018239999999 0.000040789999999 0.000091209999999 108-45-2 7935 144209304 A A 1,3-Benzenediamine Nc1cccc(N)c1 Tox21_202106 -NCGC00164077-02 196706054 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -15.408807168 2.5 -12.908807168 4.9549173134 0.7091848752 0.0346654734 3.52884101 3.61771366 0.59555522 3.73346243 2.95847448 -0.86087801 2.3940166 3.07230697 3.04704163 7.08570547 3.29976701 -0.66384366 2.26244011 2.63260845 -9.09067264 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00258818-01 196706066 tox21-ror-cho-viability-p1 set1 4 -2.45656414 8.55807457 -2.23832161 0.23459112 -1.81693078 -3.37418224 1.58169768 1.05750789 0.4732118 0 1.02495331 0.19243207 -0.73286312 -0.18519486 3.32364719 1.196E-9 2.6749999999E-9 5.981E-9 1.338E-8 2.9909999999E-8 6.6879999999E-8 1.4949999999E-7 3.344E-7 7.477E-7 0.0000016719999999 0.0000037379999999 0.0000083589999999 0.00001869 0.000041799999999 0.000093459999999 123-42-2 31256 144208464 A A Diacetone alcohol CC(=O)CC(C)(C)O Tox21_201266 -NCGC00091205-03 196706067 tox21-ror-cho-viability-p1 set1 4 -14.92101632 -8.13204434 -11.02889139 -10.60049094 -4.06681608 -4.43029611 -6.37169688 1.56616437 -0.73423259 -9.59596882 -16.47251533 -13.97406103 -10.56139084 -23.09452394 -13.72072075 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00259788-01 196706079 tox21-ror-cho-viability-p1 set1 -3 77.4286392264 -70.9481214536 -6.13823485 -77.0863563036 4.9549173134 0.8974918447 0.0003641323 -12.17122636 -10.86100117 -9.77908687 -15.38759501 -5.19053383 -2.7053529 -7.08382538 -6.93981517 -6.01447876 -0.52529718 0.20270064 -1.73071652 -3.99900788 -3.95788414 -61.17964786 1.1859999999E-9 2.653E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001854 0.00004145 0.00009268 789-02-6 13089 144209437 A A o,p'-DDT Clc2ccccc2C(c1ccc(Cl)cc1)C(Cl)(Cl)Cl Tox21_202239 -NCGC00259443-01 196706473 tox21-ror-cho-viability-p1 set1 -3 68.0319836447 -73.182272916 -10.149340695 -83.331613611 4.9549173134 0.7760422367 0.012615764 -24.00393263 -12.44587362 -19.8976415 -23.47263661 -11.4540599 -14.42064699 -9.32989911 -17.40134578 -22.19867968 -2.8896161 -6.30151923 -5.20604296 -4.49304661 -14.48524672 -69.70762985 1.172E-9 2.6199999999E-9 5.859E-9 1.31E-8 2.9299999999E-8 6.551E-8 1.465E-7 3.275E-7 7.324E-7 0.0000016379999999 0.000003662 0.000008188 0.00001831 0.00004094 0.000091549999999 25152-84-5 5283349 144209092 A A (E,E)-2,4-Decadienal CCCCC\C=C\C=C\C=O Tox21_201894 -NCGC00259611-01 196706471 tox21-ror-cho-viability-p1 set1 4 -0.18405028 12.16766531 1.87846241 4.17526957 2.30198924 0.79096017 0.78817048 3.89973496 1.95513578 0 5.29086166 2.71685026 1.95752558 3.94685809 4.09745936 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.952E-8 6.6E-8 1.476E-7 3.3E-7 7.379E-7 0.0000016499999999 0.0000036889999999 0.0000082499999999 0.000018449999999 0.00004125 0.000092239999999 102-71-6 7618 144209260 AC Fns Triethanolamine OCCN(CCO)CCO Tox21_202062 -NCGC00258913-01 196706481 tox21-ror-cho-viability-p1 set1 4 0.0156368108 5.0096375039 -4.5096375039 0.5 4.9549173134 0.3645154415 0.3087620674 -1.15540983 -7.92469792 -4.14212895 -2.89733583 0.53556774 1.18099806 0.12888482 0.73507218 2.71559013 -6.87944729 1.96468638 0.82263784 -1.33306573 -0.14708035 4.12752485 1.198E-9 2.679E-9 5.989E-9 1.339E-8 2.995E-8 6.696E-8 1.497E-7 3.3479999999E-7 7.487E-7 0.0000016739999999 0.0000037429999999 0.000008371 0.000018719999999 0.00004185 0.00009359 760-23-6 12971 144208559 AC Fc 3,4-Dichloro-1-butene C=CC(Cl)CCl Tox21_201361 -NCGC00259535-01 196706482 tox21-ror-cho-viability-p1 set1 4 3.37465914 4.24856425 -0.8634417 -16.1489858 -1.66250401 0.03774297 4.23449591 5.36397179 4.72201609 4.7561801 -3.71238512 2.92925772 -0.89602713 0.27824729 -0.78688686 1.1679999999E-9 2.612E-9 5.8419999999E-9 1.3059999999E-8 2.9209999999E-8 6.531E-8 1.4599999999E-7 3.2659999999E-7 7.3019999999E-7 0.0000016329999999 0.0000036509999999 0.000008164 0.00001826 0.00004082 0.00009128 1912-24-9 2256 144209184 B B Atrazine Clc1nc(NCC)nc(NC(C)C)n1 Tox21_201986 -NCGC00253618-01 196704845 tox21-ror-cho-viability-p1 set1 4 -3.01763457 -8.12125325 -5.71582769 -2.114026 -0.98418561 -3.69717344 0.13605617 -0.59653518 -2.77674736 -4.37697289 -2.5483597 -4.9286561 -0.28434431 0.15028039 0.49639691 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56177-80-1 92041 170466669 A A 2-Ethoxy-5-fluorouracil CCOC1=NC(=O)C(F)=CN1 Tox21_113748 -NCGC00247708-01 196717208 tox21-ror-cho-viability-p1 set2 4 0.0315510391 -5.6264488079 2.5 -3.1264488079 1.111 0.4831576886 0.1966467574 2.94203356 1.24261818 2.2465616 1.10173119 -1.78374261 -1.66707141 1.15477136 -4.69695538 -7.18870734 -2.48560962 -4.91894142 0.32397753 -4.62406954 -0.27583064 -1.73036447 1.3309999999E-9 2.9759999999E-9 6.6539999999E-9 1.488E-8 3.327E-8 7.4389999999E-8 1.663E-7 3.719E-7 8.3169999999E-7 0.00000186 0.0000041589999999 0.0000092989999999 0.00002079 0.00004649 0.000104 3372-02-9 21124389 144206415 Z Z N-Normorphine hydrochloride Cl.Oc1ccc2C[C@H]4NCC[C@@]35[C@@H](Oc1c23)[C@@H](O)C=C[C@@H]45 Tox21_112862 -NCGC00018163-10 196716782 tox21-ror-cho-viability-p1 set2 -2.4 26.6032120037 -22.661757376 0.5 -22.161757376 4.9549173134 0.8584461038 0.0017355594 -0.5879641 -1.99641696 2.4947201 4.06471359 -2.04280004 -1.7928724 -1.11691942 3.63002739 2.00050562 -1.8772724 -0.86541868 2.9483253 2.91251895 -4.45591699 -20.55146448 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97-18-7 2406 170465515 A Bithionol Oc2c(Sc1cc(Cl)cc(Cl)c1O)cc(Cl)cc2Cl Tox21_110832_1 -NCGC00253675-01 196717185 tox21-ror-cho-viability-p1 set2 4 0.29256125 -0.47134607 0.77075494 2.37276834 2.87579164 7.17329477 6.60685271 4.77449287 0.02078464 0.59812297 0.72216413 2.10987132 -1.4542804 2.02477558 1.57226053 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6065-63-0 80168 170466685 F F Diethyl dipropylmalonate CCCC(CCC)(C(=O)OCC)C(=O)OCC Tox21_113799 -NCGC00160537-04 196717193 tox21-ror-cho-viability-p1 set2 4 -5.25056212 0.60375552 -6.25013599 -2.08741254 -0.19506529 -5.77431269 2.59808623 -2.51271063 -6.40593946 -6.3860673 0.51238623 -2.70540021 -4.69244704 -6.23447108 -8.1279131 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00022001-13 196717602 tox21-ror-cho-viability-p1 set2 4 0.0133331902 -12.3250736199 2.5 -9.8250736199 1.4641 0.786830492 0.010414329 1.13485526 1.54273069 3.80488926 -0.17940903 -6.41527692 -6.09559137 -9.50510016 -5.89480991 -6.29573374 -16.93756135 -9.80077704 -10.26512247 -8.9036862 -10.26796378 -8.95195333 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 518-28-5 10607 170464788 A Podofilox COc1cc(cc(OC)c1OC)[C@H]3[C@H]2C(=O)OC[C@@H]2[C@@H](O)c4cc5OCOc5cc34 Tox21_110874_1 -NCGC00253706-01 196717601 tox21-ror-cho-viability-p1 set2 4 -0.58998317 -0.5076001 -7.83303312 -6.86447325 -6.44524974 -5.72932884 -6.70804841 -1.51235283 -0.37778945 0.9248649 0.26431863 0.20227437 0.22412202 -0.37606271 -6.26844378 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16673-34-0 85542 170466729 A A N-(2-(4-sulfamoyl)phenyl)ethyl-5-chloro-2-methoxybenzamide COc1ccc(Cl)cc1C(=O)NCCc2ccc(cc2)S(N)(=O)=O Tox21_113826 -NCGC00253727-01 196717603 tox21-ror-cho-viability-p1 set2 4 3.92473478 -1.09891393 3.4606146 6.43494491 6.14531488 2.80118923 4.03899449 3.28121608 -1.47833336 0.36391686 -0.60171909 -1.38458939 -2.10758665 3.1683895 -1.57950847 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7706-67-4 6445007 170466351 A A Dimecrotic acid COc1cc(ccc1C(/C)=C/C(=O)O)OC Tox21_113846 -NCGC00160656-02 196717605 tox21-ror-cho-viability-p1 set2 4 -1.6580892 -3.55930603 -3.89150069 -4.01907901 -4.60315449 -4.55471201 -1.53158252 1.98911638 -6.60011214 -5.87314872 -1.20925321 -5.90885415 -5.44818241 -6.10025783 -3.27187887 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 93-47-0 9574235 170466224 A Verazide O=C(N/N=C/c1ccc(OC)c(OC)c1)c2ccncc2 Tox21_111963_1 -NCGC00090686-07 196717607 tox21-ror-cho-viability-p1 set2 4 -2.95856441 -1.6352001 -2.79242261 -4.18371733 -4.02635939 -0.6321846 0.25202023 -0.59347104 -1.55646074 -2.7087896 -4.58613665 -2.23377243 -2.44061355 -2.93087341 2.24814246 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00254852-01 196715134 tox21-ror-cho-viability-p1 set2 4 19.3311819617 9.065832208 -5.065832208 4 1.4487170999 0.6318148121 0.0906458827 -3.91898756 -3.27724929 -3.32127017 -3.28583331 -7.31628042 -5.265893 -6.72004391 -7.97152684 -4.34502444 -3.74468682 -4.07175327 -2.43694912 -1.73428753 2.02964659 -4.54864406 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 373-49-9 445638 144211267 A A (Z)-Hexadec-9-enoic acid O=C(O)CCCCCCC/C=C\CCCCCC Tox21_300950 -NCGC00254802-01 196714320 tox21-ror-cho-viability-p1 set2 4 86.3492179916 -26.69950896 -4 -30.69950896 0.7 0.6622129854 0.057347557 0.29362396 -0.91418908 -4.60389075 -5.7757739 -8.08524078 -7.20544282 -6.61808877 -5.10627681 -9.40689103 -5.68678896 -5.52478963 -9.23846937 -6.68059076 -11.93025597 -22.2495908 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111812-58-9 9576412 144211215 A A Fenpyroximate (Z,E) Cc3nn(C)c(Oc1ccccc1)c3/C=N/OCc2ccc(cc2)C(=O)OC(C)(C)C Tox21_300898 -NCGC00254153-01 196714322 tox21-ror-cho-viability-p1 set2 -2.4 54.6319326104 -33.6121548519 0.5 -33.1121548519 4.5044702849 0.9704156727 4.514E-7 -0.76522893 -1.2029145 0.06303022 -0.0414543 1.03631406 0.23707644 -0.33027916 4.211532 0.69949523 0.10068123 -0.0452678 -0.44256168 0.09771111 -2.81557043 -27.17679571 9.762E-10 2.183E-9 4.881E-9 1.091E-8 2.441E-8 5.457E-8 1.2199999999E-7 2.7289999999E-7 6.101E-7 0.000001364 0.000003051 0.000006822 0.00001525 0.00003411 0.000076269999999 NOCAS_47387 60196411 144210578 A A SAR102779 O=C2CO[C@](CN2c1ccccc1)(CCN3CCC(NC(C)=O)(CC3)c4cccc(F)c4)c5ccc(Cl)c(Cl)c5.O=C(O)CCC(=O)O Tox21_300258 -NCGC00257165-01 196726754 tox21-ror-cho-viability-p1 set3 4 3.54543072 -0.56052317 1.30687775 0.36156458 1.00591834 1.02470238 0.56202384 2.16136934 0.91202007 -0.42133208 4.37112145 1.64954122 1.0378391 1.89140063 0.92332532 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-48-8 7092 144213497 A A 6-Methyl coumarin Cc1ccc2OC(=O)C=Cc2c1 Tox21_303180 -NCGC00016916-11 196726350 tox21-ror-cho-viability-p1 set3 1.2 16.7854920005 67.1859181672 -4.479502008 62.7064161592 2.3331733767 0.854852101 0.0019324599 -2.62569522 -9.7368623 -2.97793698 -2.19786984 -7.54567299 -2.58180633 0.27217272 -7.34234899 -3.11416919 -2.65118079 3.05323707 -6.62144085 -8.23015272 54.35779274 49.26051276 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 70458-96-7 4539 170464769 A Norfloxacin O=C(O)C2=CN(CC)c1cc(c(F)cc1C2=O)N3CCNCC3 Tox21_110682_1 -NCGC00261967-01 196726356 tox21-ror-cho-viability-p1 set3 4 33.4914596268 -30.0904146009 6.5074695784 -23.5829450225 4.5044702849 0.4567549804 0.2175964313 1.21741806 -1.99100744 1.44888782 -0.21205275 -1.54779321 7.65635556 7.09116033 22.1698287 12.90616295 17.46214698 4.03427486 9.69445596 4.32336252 3.35082014 -17.97956287 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118244-44-3 5282229 170466045 F A Prednisolone farnesylate C/C(C)=C\CCC(\C)=C\CCC(/C)=C/C(=O)OCC(=O)[C@@]4(O)CC[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_113887 -NCGC00257491-01 196726751 tox21-ror-cho-viability-p1 set3 4 0.0013685429 -14.233520624 15 0.766479376 0.8999999999 0.5433493162 0.142609951 11.35795105 3.30248707 3.65825871 2.23677172 1.22554819 -0.10424878 4.11026295 2.84956087 -1.07835158 2.10877206 0.49145257 -2.2891265 3.93307199 1.6440052 -3.94460052 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2321-07-5 16850 144213816 A A Fluorescein Oc4cc5Oc1cc(O)ccc1C3(OC(=O)c2ccccc23)c5cc4 Tox21_303508 -NCGC00256439-01 196726759 tox21-ror-cho-viability-p1 set3 4 0.76073797 1.20693487 -0.86331895 -0.0066255 -4.79118809 -0.67025492 2.64259329 2.20207558 1.16769261 0.00744978 5.19732595 -0.31348307 0.06722158 0.47208741 2.82023679 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-00-6 6997 144213202 A A 2-Ethylphenol CCc1ccccc1O Tox21_302885 -NCGC00256397-01 196727178 tox21-ror-cho-viability-p1 set3 4 2.34792222 -0.46328625 1.42244098 1.5504651 0.16050349 -1.25974119 7.71832502 2.23052346 -9.708223 -13.63414478 -1.98467403 -1.97612844 1.84090789 0.26737013 9.46200211 1.203E-9 2.6909999999E-9 6.0159999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 760-23-6 12971 144213131 Fns 3,4-Dichloro-1-butene C=CC(Cl)CCl Tox21_302814 -NCGC00016032-11 196722427 tox21-ror-cho-viability-p1 set3 4 -1.80045561 -0.50923098 0.59426931 3.20562105 2.28683186 0.70369254 2.74784018 1.85924483 -4.57082183 0.79808211 0.29454077 1.50739744 -5.87489124 -1.5244134 2.07896196 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1077-28-7 864 170465713 A alpha-Lipoic acid O=C(O)CCCCC1CCSS1 Tox21_110285_1 -NCGC00254483-01 196699575 tox21-ror-cho-viability-p1 set1 4 6.66E-8 -52.33533022 -49.72332835 -54.96315852 -50.45033535 -50.9793728 -51.73657291 -43.98996001 -47.13779796 -44.95227718 -43.60572997 -7.08252679 -0.35281338 -8.03863589 -1.69476826 1.42843819 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 29590-42-9 165746 144210717 D Isooctyl acrylate CC(C)CCCCCOC(=O)C=C Tox21_300399 -NCGC00259089-01 196721622 tox21-ror-cho-viability-p1 set3 4 0.29511531 3.11452151 3.43153558 9.09373294 1.15329833 -4.12984729 -8.10185167 -2.73937326 -0.9308913 4.08394344 4.32582572 -0.30451856 0.61201893 8.24943208 0.85296606 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004132 0.0000924 1934-21-0 5359657 144208737 A F FD&C Yellow 5 [Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)/N=N/C3=C(NN(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O Tox21_201539 -NCGC00259916-01 196722004 tox21-ror-cho-viability-p1 set3 4 29.5196517289 8.910379976 -4.910379976 4 4.9549173134 0.456940803 0.2381241409 -5.74528444 -4.20787017 -3.87525832 1.00485565 -5.88705997 -4.9359783 -7.50032843 -5.2020255 -7.73355823 -3.80089111 -8.25864998 -4.12338698 -4.51600038 2.69777798 -2.90755214 1.144E-9 2.5579999999E-9 5.719E-9 1.2789999999E-8 2.8599999999E-8 6.3939999999E-8 1.4299999999E-7 3.197E-7 7.1489999999E-7 0.0000015989999999 0.0000035739999999 0.000007993 0.00001787 0.00003996 0.00008936 150-76-5 9015 144209565 A A 4-Methoxyphenol Oc1ccc(OC)cc1 Tox21_202367 -NCGC00259576-01 196722016 tox21-ror-cho-viability-p1 set3 -2.2 61.0684034629 -64.714263791 -4.516620423 -69.230884214 2.7202212143 0.9246423338 0.0000757099 -5.80791637 -1.14408294 0.69037187 -1.67440783 -3.15528932 -5.25778333 -5.25191532 -6.97155462 -5.7491464 0.82462528 -4.44109701 -13.54350427 -10.60353735 -17.24105145 -54.34157895 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.00001842 0.0000412 0.00009212 15721-02-5 27465 144209225 A A 2,2',5,5'-Tetrachlorobenzidine Clc1cc(N)c(Cl)cc1c2cc(Cl)c(N)cc2Cl Tox21_202027 -NCGC00253724-01 196722431 tox21-ror-cho-viability-p1 set3 -2.4 7.4978038628 -22.752295368 2 -20.752295368 4.9549173134 0.8996241682 0.0003287684 3.67511064 -2.42589142 3.71170159 5.9919745 -0.60465241 0.91710619 5.91885551 -0.92072921 4.65566845 3.16792272 -3.43056103 2.24608844 -14.64466696 -19.21673728 -22.71024614 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1584-62-9 74106 170466746 D F 2-Bromo-4'-chloro-2'-(2-fluorobenzoyl)acetanilide Clc1cc(c(NC(=O)CBr)cc1)C(=O)c2ccccc2F Tox21_113843 -NCGC00168776-03 196722831 tox21-ror-cho-viability-p1 set3 4 0.2113168243 -10.097493076 0 -10.097493076 4.9549173134 0.6682768702 0.0645603286 -0.64063604 -1.32963781 1.11800805 1.20446152 -0.03425908 -3.34326683 -0.28072315 0.16637445 -16.33124423 -7.08252178 -4.83491128 -5.29798484 -14.33403209 -13.05184299 -1.8887878 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 136817-59-9 5625 170464664 A Delavirdine O=C(c1cc2cc(NS(C)(=O)=O)ccc2n1)N3CCN(CC3)c4ncccc4NC(C)C Tox21_112637_1 -NCGC00094516-08 196722835 tox21-ror-cho-viability-p1 set3 4 37.5780357627 27.1483902081 2.8516097919 30 0.6 0.4740785818 0.2019965103 3.83926634 4.27607423 -0.95699184 3.28920696 12.01761406 0.23549835 1.36578366 0.20297209 7.27618817 14.48805501 10.24650824 3.8493776 5.56593947 12.69922743 22.06675174 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56-72-4 2871 170466302 F Coumaphos CCOP(=S)(OCC)Oc1ccc2c(c1)OC(=O)C(Cl)=C2C Tox21_111290_1 -NCGC00163735-04 196722846 tox21-ror-cho-viability-p1 set3 -1.2 12.1971512362 -40.183372229 6 -34.183372229 1.9673362061 0.9496562104 0.0000087315 5.05680805 12.30303631 0.58987276 10.21528254 2.8332564 2.37348524 5.50701101 3.77461352 8.98493741 3.9867897 4.20505984 -5.40030021 -25.7244691 -30.55099744 -31.50236046 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00142623-04 196723239 tox21-ror-cho-viability-p1 set3 4 0.2371013766 8.199726644 -0.699726644 7.5 4.9549173134 0.7374555933 0.0236463197 -3.91643887 2.93319109 0.96530198 -2.11806199 -0.08562659 1.46782005 -1.98998769 -2.27648606 10.2779708 5.48744195 5.59830956 8.75266484 6.54873943 10.51271437 4.70974052 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71-63-6 441207 170464713 F Digitoxin O=C1C=C(CO1)[C@H]8CC[C@@]7(O)[C@]8(C)CC[C@H]3[C@H]7CC[C@@H]2C[C@H](CC[C@@]23C)O[C@@H]6O[C@H](C)[C@@H](O[C@H]5C[C@H](O)[C@H](O[C@H]4C[C@H](O)[C@H](O)[C@@H](C)O4)[C@@H](C)O5)[C@@H](O)C6 Tox21_111659_1 -NCGC00166213-02 196723252 tox21-ror-cho-viability-p1 set3 4 26.6032120037 28.446945128 2.053054872 30.5 2.3331733767 0.6347324151 0.0734193306 -0.42890454 1.96293932 0.47801064 -1.58601332 9.05288327 3.80001246 1.55322621 1.74048202 7.65224266 1.64789134 10.36048031 -8.28912094 4.34297393 12.91805696 24.05484919 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5333-42-6 21414 170465533 F 2-Octyl-1-dodecanol CCCCCCCCC(CCCCCCCCCC)CO Tox21_112351_1 -NCGC00164494-02 196723257 tox21-ror-cho-viability-p1 set3 4 1.8833631789 -13.9693750359 1.5 -12.4693750359 4.9549173134 0.6175305099 0.0979315445 1.75649846 2.19818451 -2.22837949 -0.81433992 -3.16368214 -2.78583733 2.05136941 -0.91215742 8.84205666 10.96545165 -4.41932662 -18.30781253 -6.95121966 -12.15103915 -3.75137617 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 140-40-9 8798 170466180 A Nithiamide O=C(C)Nc1ncc(s1)[N+]([O-])=O Tox21_112132_1 -NCGC00256621-01 196707335 tox21-ror-cho-viability-p1 set1 4 0.02992163 2.09710766 -1.21632518 -1.77183637 0.39825313 -1.83162908 -1.37204652 0.95152329 -2.18645364 0.02722048 1.65824378 -1.48667746 -0.00680929 1.66115977 0.88862814 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2459-10-1 17159 144212766 A A Trimethyl benzene-1,2,4-tricarboxylate COC(=O)c1cc(ccc1C(=O)OC)C(=O)OC Tox21_302449 -NCGC00258795-01 196706082 tox21-ror-cho-viability-p1 set1 -2.1 61.5037543138 -99.4286924328 -3.11687964 -102.5455720728 4.9549173134 0.9796075605 5.31E-8 -4.6850259 -0.22430454 -0.28812615 0.12998647 -3.29839985 -0.02321102 -6.5293957 0.2596013 -0.01020328 -10.09290389 -7.0217345 -1.65246074 -6.82257245 -15.08688135 -90.9091951 1.1859999999E-9 2.6519999999E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001853 0.000041439999999 0.000092669999999 10540-29-1 2733526 144208441 A A Tamoxifen CN(C)CCOc1ccc(cc1)/C(c2ccccc2)=C(/CC)c3ccccc3 Tox21_201243 -NCGC00259485-01 196706104 tox21-ror-cho-viability-p1 set1 4 0.0043629449 22.054631256 -26.054631256 -4 0.5 0.4212084517 0.2516169694 -18.10648568 -17.06733333 -18.37885938 -6.83778549 -10.95801746 -6.69994654 1.98908457 -16.28046036 -4.93581355 -7.15332159 -12.53912766 -3.29322698 0.38958399 -7.36700513 -6.52987671 1.188E-9 2.657E-9 5.941E-9 1.3279999999E-8 2.9699999999E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016609999999 0.000003713 0.000008303 0.00001856 0.000041509999999 0.00009282 1143-72-2 70837 144209134 A A 2,3,4-Trihydroxbenzophenone Oc2ccc(C(=O)c1ccccc1)c(O)c2O Tox21_201936 -NCGC00091468-02 196706501 tox21-ror-cho-viability-p1 set1 4 -0.01466505 2.30384294 0.19573994 3.38095851 -1.22241413 2.26336441 2.28942617 -1.400331 -15.43443657 11.84032519 -1.73694914 -4.3651 0.95088052 2.0048936 -3.77717069 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00256379-01 196707338 tox21-ror-cho-viability-p1 set1 4 -13.43193773 -14.59190397 -7.85898264 -21.4325727 -16.83260923 -13.45294802 -19.84194324 -17.37143328 -17.09024512 -18.56263049 -12.7581759 -12.10873063 -16.92009552 -13.11294512 -10.68279504 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-11-4 8785 144213158 A Ac Benzyl acetate CC(=O)OCc1ccccc1 Tox21_302841 -NCGC00256859-01 196707340 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -33.188689984 2 -31.188689984 4.5044702849 0.8498117375 0.0022720732 5.71160014 -2.04976562 3.53040002 -1.50672727 3.52676005 3.15384412 -0.66108345 7.45220189 2.3884594 3.01731173 -2.10539803 -0.74733457 3.5614528 -1.18523452 -24.32390832 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 28588-75-2 526624 144212906 A Bc Bis(2-methyl-3-furyl)disulfide Cc2occc2SSc1ccoc1C Tox21_302589 -NCGC00256657-01 196707349 tox21-ror-cho-viability-p1 set1 4 -5.292057 -4.48972071 -0.38920086 -3.11776947 -3.90559304 -5.9949503 -1.60790684 -10.00383169 -2.73483987 0.04396797 -0.11533583 -3.74748539 -13.90658948 0.06109701 0.0501736 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 4643-27-0 521196 144213034 F 2-Octen-4-one CC=CC(=O)CCCC Tox21_302717 -NCGC00257056-01 196707749 tox21-ror-cho-viability-p1 set1 4 -6.98324168 -4.14085505 -8.88120109 -2.79768871 -1.62465568 -10.8956935 4.53101961 4.01796048 -13.45960534 -12.44516129 -9.03089714 3.71102304 -24.56367689 -19.32853879 -14.91589525 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 2231-57-4 2724189 144213590 F Bc Thiocarbazide NNC(=S)NN Tox21_303273 -NCGC00256867-01 196707756 tox21-ror-cho-viability-p1 set1 4 34.3762428541 11.703106484 -0.703106484 11 1.4787409999 0.7194331506 0.0304663464 -1.64989671 1.29869817 0.89635403 -1.52112354 -3.0386671 0.71875501 -0.65996471 -2.2451306 -3.08592207 0.87368134 1.39151416 3.91162002 -0.2166533 5.65602758 10.44436309 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1331-83-5 7695 144213043 A A Methoxybenzyl acetate COc1ccc(COC(C)=O)cc1 Tox21_302726 -NCGC00247734-01 196704466 tox21-ror-cho-viability-p1 set1 4 0.10120643 -3.72173479 -3.72765774 -1.48224103 -6.97534703 -5.90347588 -6.97104229 -8.31696883 -6.67560632 -0.30870106 -0.97242735 -0.12784218 -5.83866224 -3.23981377 -1.44780912 1.3019999999E-9 2.911E-9 6.509E-9 1.455E-8 3.255E-8 7.277E-8 1.627E-7 3.6389999999E-7 8.1359999999E-7 0.0000018189999999 0.000004068 0.000009097 0.00002034 0.000045479999999 0.00010169999999 1443-44-3 24194381 144206453 A A alpha-Methylfentanyl hydrochloride Cl.CCC(=O)N(C1CCN(CC1)C(C)Cc2ccccc2)c3ccccc3 Tox21_112900 -NCGC00163735-04 196704456 tox21-ror-cho-viability-p1 set1 4 2.13264278 -0.47681664 -0.37356706 1.10268946 0.06217499 0.29759374 1.70269009 -0.08046959 0.47448744 0.90155551 -5.98002766 1.74631644 1.66546405 0.76388854 0.44339167 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00024714-11 196704457 tox21-ror-cho-viability-p1 set1 4 2.13910577 0.10612118 0.37867428 -0.13072941 -2.91695217 0.70418373 -4.02029224 3.38325802 0.1653876 0.6148977 1.84823711 -0.25116818 2.27616215 -0.39665069 0.5338603 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 486-12-4 5282443 170464931 A Triprolidine Cc1ccc(cc1)C(=C\CN2CCCC2)/c3ccccn3 Tox21_110919_1 -NCGC00021679-07 196704460 tox21-ror-cho-viability-p1 set1 4 0.43563245 -1.07134529 4.22149621 -6.75174133 -0.09753513 -4.29968562 -4.89307892 -4.62039913 -0.86913851 -7.14605141 -2.41613321 -0.06172963 -2.32700503 0.38863086 -0.53298015 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1538-09-6 15232 170465096 B Benzathine penicillin G OC(=O)[C@@H]2N3C(=O)[C@@H](NC(=O)Cc1ccccc1)[C@H]3SC2(C)C.O=C(O)[C@@H]2N3C(=O)[C@@H](NC(=O)Cc1ccccc1)[C@H]3SC2(C)C.c1ccccc1CNCCNCc2ccccc2 Tox21_111587_1 -NCGC00257798-01 196716391 tox21-ror-cho-viability-p1 set2 4 2.11803846 -0.09582162 1.66923925 -0.62887267 -1.42096617 -0.04165787 0 -0.85216692 0.11082986 -1.36895676 0.50917958 -0.76376723 -5.42321883 -5.8107725 -1.82905688 1.194E-9 2.6689999999E-9 5.969E-9 1.335E-8 2.985E-8 6.6739999999E-8 1.4919999999E-7 3.337E-7 7.4609999999E-7 0.000001668 0.0000037309999999 0.000008342 0.00001865 0.00004171 0.000093269999999 120-92-3 8452 144207442 AC F Cyclopentanone O=C1CCCC1 Tox21_200244 -NCGC00257799-01 196715973 tox21-ror-cho-viability-p1 set2 4 -0.16237354 -1.886625 -0.20782911 -0.9521081 0.39389189 -0.23261388 -0.03231193 -0.15102375 0.17743183 -1.26281943 -0.7444756 -1.09512178 -2.38429098 -4.38330616 -8.64493758 1.188E-9 2.656E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.639E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.000003712 0.000008299 0.00001856 0.0000415 0.00009279 69409-94-5 50516 144207443 A A Fluvalinate Clc3cc(ccc3NC(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C(C)C)C(F)(F)F Tox21_200245 -NCGC00091426-02 196715978 tox21-ror-cho-viability-p1 set2 4 0.0021689943 -8.69148672 7.5 -1.19148672 3.5117481694 0.3968240285 0.2776765641 6.49620799 1.66375925 -0.8796264 -5.64755476 -1.05143011 -4.39854925 -0.22964078 0.75787916 -1.0027407 1.18641576 -0.53744735 1.87284919 1.46794902 -0.77283409 -7.2429056 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00258014-01 196716387 tox21-ror-cho-viability-p1 set2 4 3.84024909 0.44896373 1.6046887 3.5402235 1.04734153 1.72103426 -1.05848896 2.05271891 -1.099772 1.06537722 0.97633177 0.46726179 1.32948382 2.44933956 2.46942018 1.1989999999E-9 2.6809999999E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.701E-8 1.4979999999E-7 3.351E-7 7.492E-7 0.000001675 0.000003746 0.000008377 0.00001873 0.00004188 0.00009365 4767-03-7 78501 144207658 B B 3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid O=C(O)C(C)(CO)CO Tox21_200460 -NCGC00258309-01 196716396 tox21-ror-cho-viability-p1 set2 4 2.58505449 0.34607477 5.51355871 3.43439859 3.93025882 -1.07791447 2.91788208 2.39867743 2.45430235 -1.77740862 3.08425455 0 1.8153018 3.90133118 -2.21741823 1.177E-9 2.6319999999E-9 5.8849999999E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.0000036779999999 0.000008225 0.00001839 0.00004113 0.00009196 22888-70-6 31553 144207953 I I Silybin Oc4cc(O)cc5O[C@H](c1ccc2O[C@H](CO)[C@H](Oc2c1)c3ccc(O)c(OC)c3)[C@@H](O)C(=O)c45 Tox21_200755 -NCGC00257641-01 196716398 tox21-ror-cho-viability-p1 set2 4 -1.19391991 -0.78400119 0.19035136 -0.64198357 2.18648144 -3.37350331 0.01562646 -0.29828257 -0.81568342 -0.03877203 -0.63265219 1.7387948 -0.19654739 1.5257927 -1.61239012 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004132 0.0000924 19952-47-7 29872 144207285 A A 2-Amino-4-chlorobenzothiazole Clc2cccc1sc(N)nc12 Tox21_200087 -NCGC00095082-06 196716802 tox21-ror-cho-viability-p1 set2 4 -0.54986224 3.33491303 0.72843423 0.43975841 2.89557397 0.14669765 2.96385665 5.34677809 3.0708788 3.00391786 -0.45345975 6.29310332 2.93265726 0.52600829 -0.41423626 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 96-83-3 3735 170465056 A Iopanoic acid Ic1cc(I)c(N)c(I)c1CC(CC)C(=O)O Tox21_110394_1 -NCGC00016260-13 196716806 tox21-ror-cho-viability-p1 set2 4 0.42674065 0.95854967 2.62632418 1.74851964 6.17097656 7.80664876 5.55818214 7.24643308 1.15931346 -1.72322177 1.12851699 0.50523839 0.05151361 0.97142152 3.2691359 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-54-8 3278 170465426 A Ethacrynic acid Clc1c(ccc(OCC(=O)O)c1Cl)C(=O)C(=C)CC Tox21_110335_1 -NCGC00163815-04 196713497 tox21-ror-cho-viability-p1 set2 -2.2 61.130564862 -58.1240787622 -3.186199841 -61.3102786032 2.5334283767 0.981152499 3.37E-8 -4.79183963 -1.56914039 -0.49225615 -1.88648612 -5.98339438 -4.96515907 -2.04897151 -5.06184461 -1.18276658 -1.9395246 -3.76990541 -3.23753957 -5.92342929 -18.62499352 -46.44718076 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00167523-03 196712675 tox21-ror-cho-viability-p1 set2 3 33.4914596268 98.8972897371 -1.7198417584 97.1774479787 4.9549173134 0.9633727164 0.0000014966 2.42223547 -0.72481869 0.85335428 8.00884312 -1.00474287 -2.92985246 -1.40526936 0.30770806 -3.88705352 -3.57674939 -3.70324266 -3.96613839 -2.25785682 -3.13717035 85.24337542 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6981-18-6 23418 170465718 A Ormetoprim Nc2nc(N)ncc2Cc1cc(OC)c(OC)cc1C Tox21_112520_1 -NCGC00344533-01 196713094 tox21-ror-cho-viability-p1 set2 4 -0.87154806 1.58276172 0.52674975 -0.14628902 -1.16098862 2.21031069 0.76208826 0.39538789 2.08178245 2.0023649 -0.26313101 -0.53181628 0.7625197 1.12952123 2.00926898 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2490-97-3 25561 170465810 A Nalpha-Acetyl-L-glutamine O=C(C)NC(CCC(N)=O)C(=O)O Tox21_113393_1 -NCGC00015439-11 196713492 tox21-ror-cho-viability-p1 set2 4 -3.37139305 -5.87463964 -3.52658826 -2.82296398 -2.92564264 -2.47212324 -0.78763804 -3.3997057 -1.27175592 1.28584512 -1.62859211 -1.17992217 -0.76666349 -2.04363196 -1.98470874 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 78755-81-4 3373 170464960 A Flumazenil O=C(OCC)c3ncn2c3CN(C)C(=O)c1cc(F)ccc12 Tox21_110148_1 -NCGC00183839-01 196725173 tox21-ror-cho-viability-p1 set3 2.2 14.9600854925 50.8388676119 1.745673304 52.5845409159 2.4063783767 0.9613420861 0.0000020258 0.5705999 3.3643962 -1.07175374 -1.73574907 2.49547446 3.71261335 1.42465468 0.7225234 2.99109819 3.15529764 9.51686814 -0.16746188 12.81722628 38.76529165 54.97852905 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 156137-99-4 5311398 144206855 A C Rapacuronium bromide [Br-].C=CC[N+]1(CCCCC1)[C@H]6C[C@@H]5[C@](C)(CC[C@H]2[C@H]5CC[C@H]3C[C@H](OC(C)=O)[C@H](C[C@]23C)N4CCCCC4)[C@H]6OC(=O)CC Tox21_113304 -NCGC00091657-02 196724754 tox21-ror-cho-viability-p1 set3 4 76.9588215421 15.6787134039 -1.6787134039 14 4.9549173134 0.3679189884 0.30317381 -1.66200954 0.6364023 -2.32757123 6.86941402 -4.98827952 -5.72752188 2.29696188 -7.23226117 -1.94432598 2.58231997 -4.51589651 -5.92886992 4.75041517 -5.00608282 11.43754742 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00260248-01 196724756 tox21-ror-cho-viability-p1 set3 4 0.0175799443 7.281901244 -3.781901244 3.5 2.7867712143 0.6174740334 0.0855796582 -5.65158437 -1.27038725 -4.52977985 -0.83719912 1.82193299 4.70198306 3.2879088 5.97682768 1.33916773 4.24121589 7.65683967 7.17187192 0.99888981 -0.22876073 0.83976388 1.1999999999E-9 2.683E-9 6E-9 1.3419999999E-8 3E-8 6.7089999999E-8 1.5E-7 3.3539999999E-7 7.5E-7 0.000001677 0.0000037499999999 0.0000083859999999 0.00001875 0.00004193 0.00009376 474368-70-2 2734181 144209898 FNS 1-Hexylpyridinium tetrafluoroborate F[B-](F)(F)F.CCCCCC[n+]1ccccc1 Tox21_202700 -NCGC00166043-02 196725166 tox21-ror-cho-viability-p1 set3 4 0.0021131682 -5.2324859039 2.5 -2.7324859039 4.9549173134 0.348557275 0.341080744 0.16054638 4.4978338 -3.08312155 -4.93638887 -1.08146947 -4.67523833 -2.20444422 -0.42783626 -3.62783242 -6.86040492 -3.22681698 -1.65410294 2.5334483 -3.61280108 -1.36596557 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2174-64-3 71648 170466372 Ac Flamenol Oc1cc(O)cc(OC)c1 Tox21_112298_1 -NCGC00165883-04 196725579 tox21-ror-cho-viability-p1 set3 4 5.9557173066 17.1068471121 0.8931528879 18 0.5 0.4625426252 0.212728997 0.2467204 7.24506415 -1.33903926 2.81978004 -0.71674788 2.73129762 2.35324032 2.31366352 0.23318625 2.84643003 20.30120026 4.54055615 8.02172866 9.51214516 16.11043569 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 106308-44-5 129228 170465202 A Rufinamide NC(=O)c2cn(Cc1c(F)cccc1F)nn2 Tox21_112267_1 -NCGC00024749-04 196725996 tox21-ror-cho-viability-p1 set3 4 0 -1.15243643 -2.09552317 -3.19004483 -2.53549182 -1.54202229 -1.24216825 -0.72853553 -3.6767617 -4.2480764 -1.23576326 -2.13567016 -0.99913047 -3.13026909 0.8056415 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 207572-66-5 2829432 170466157 A Pirlindole mesylate CS(=O)(=O)O.Cc1ccc2c(c1)c3CCCC4NCCn2c34 Tox21_110923_1 -NCGC00015996-10 196725248 tox21-ror-cho-viability-p1 set3 4 0.0595571731 20.890858776 -3.390858776 17.5 0.4 0.7341493933 0.0313860956 0.19242726 0.09349043 -1.15904898 2.88540631 10.32654563 2.93883291 6.04205218 5.92649486 16.29124518 9.17970326 10.96838455 15.73663951 19.98441082 11.8467731 6.55320686 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51012-33-0 5702214 170465877 A Tiapride hydrochloride Cl.O=S(C)(=O)c1cc(c(OC)cc1)C(=O)NCCN(CC)CC Tox21_110276_1 -NCGC00183862-01 196725243 tox21-ror-cho-viability-p1 set3 4 4.2163249602 18.6932065839 -3.1932065839 15.5 0.5 0.6114379302 0.0889614738 -0.24930519 0.92260202 -9.74433882 -0.01019078 -8.04123456 -0.78650387 -0.36457967 4.39393881 -2.12606675 5.34560203 0.52907838 9.74331699 9.1177779 4.2137419 14.29425447 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 75820-08-5 53359 144206867 A C Tolrestat O=C(O)CN(C)C(=S)c2cccc1c2ccc(OC)c1C(F)(F)F Tox21_113316 -NCGC00024994-06 196725242 tox21-ror-cho-viability-p1 set3 4 5.33454242 0.72713754 0.72168755 -1.64239862 -0.33787604 -0.87237891 0.73602708 -0.54482362 -3.2732205 -0.19744233 0.51983317 0.18531162 -3.24852358 -0.83136698 1.70469605 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14611-52-0 26758 170464993 A Selegiline hydrochloride Cl.C#CCN(C)[C@H](C)Cc1ccccc1 Tox21_110572_1 -NCGC00016272-05 196725246 tox21-ror-cho-viability-p1 set3 4 0.0334914596 -11.420829264 5 -6.420829264 4.9549173134 0.4399159581 0.2336525997 -2.97912367 -1.7495944 3.8424074 3.9578612 5.60317567 11.14984663 7.50103554 -1.98419873 3.84109139 13.07414182 16.25690222 -7.01735772 -6.30463728 -4.86258398 -5.08980356 5.899E-12 1.319E-11 2.949E-11 6.595E-11 1.475E-10 3.2969999999E-10 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 60-02-6 60196261 170464954 Z Guanethidine sulfate O=S(=O)(O)O.O=S(=O)(O)O.N=C(N)NCCN1CCCCCCC1 Tox21_110340_1 -NCGC00188690-02 196697936 tox21-ror-cho-viability-p1 set1 4 1.02653344 -0.99322595 -0.12078291 -3.03845852 -4.31479021 -5.12540582 -5.15812068 -5.70270652 -4.81620678 0.70571633 0.16830037 -0.1670333 -4.05031027 0.75595482 -9.37124372 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 389574-19-0 10158453 170465441 A Prasugrel Cl.Fc1ccccc1C(N2CCc3sc(cc3C2)OC(C)=O)C(=O)C4CC4 Tox21_113621_1 -NCGC00164127-03 196723666 tox21-ror-cho-viability-p1 set3 -2.4 43.2771256911 -41.6007490285 -3.134330687 -44.7350797155 2.3331733767 0.5809432903 0.1106776673 -19.69912737 3.71749754 -19.75079594 -15.61919269 0 0 0 -2.15920871 2.72773371 1.68018751 7.52885254 5.61204843 -7.25191632 -23.50886832 -38.81445433 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00249928-01 196723667 tox21-ror-cho-viability-p1 set3 4 21.1316824289 18.668963344 1.331036656 20 0.8999999999 0.621361333 0.0824783042 2.73695204 0.51496367 -0.03649743 3.12620488 2.70275797 -1.6650203 -0.36894816 -2.22413612 6.90888915 7.33669643 6.50220907 3.96770007 2.43903019 9.67456019 17.28600356 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 73310-10-8 72187525 170466007 F Fns Eicosapentaenoic acid ethyl ester O=C(/C=C\C=C/C=C\C=C/C=C\CCCCCCCCC)OCC Tox21_113704 -NCGC00182991-01 196697935 tox21-ror-cho-viability-p1 set1 4 0.1059092946 4.412614832 -1.912614832 2.5 4.9549173134 0.4963685375 0.1845593176 1.54206144 -1.55822648 0.14644376 -2.14090188 -3.35464654 -3.27015538 -4.51051236 5.8491858 -0.24963666 4.13343199 1.60039807 3.12732194 2.31463236 2.70164228 -0.18083331 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1492-02-0 3489 144206873 A A Glybuzole O=S(=O)(Nc1nnc(s1)C(C)(C)C)c2ccccc2 Tox21_113322 -NCGC00247910-02 196698333 tox21-ror-cho-viability-p1 set1 4 33.4914596268 13.3721304199 -1.3721304199 12 4.9549173134 0.73618103 0.0243679847 -4.47677535 -2.29754741 -1.30500266 1.82692578 -2.51270825 0.5930112 -1.90095722 -0.083727 -1.77761857 -3.33414982 1.45022264 -0.52608064 -0.65896402 -0.89093275 10.00040052 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 109-43-3 7986 170466780 Ac A Dibutyl decanedioate O=C(CCCCCCCCC(=O)OCCCC)OCCCC Tox21_113651 -NCGC00091009-05 196698336 tox21-ror-cho-viability-p1 set1 4 69.1235021648 -16.659145392 -1 -17.659145392 4.9549173134 0.7209295954 0.0298068964 -2.96500118 -3.13319095 0.52608207 1.7997013 -0.70067099 0.70087525 0.98010945 -3.10480884 -5.11605958 -3.255223 -1.58162841 -0.82120367 0.57967421 -0.27561095 -13.88262116 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00163705-03 196698346 tox21-ror-cho-viability-p1 set1 4 1.56680076 7.84044329 5.26626927 2.00315807 0.46944466 1.28103364 1.14263631 5.64836121 0.45022668 0.62903721 0.49775005 0 -0.5835657 -0.16035387 1.30110492 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1465-25-4 15106 170466886 A N-(1-Naphthyl)ethylenediamine dihydrochloride Cl.Cl.NCCNc2cccc1ccccc12 Tox21_111184_1 -NCGC00253980-01 196698749 tox21-ror-cho-viability-p1 set1 4 27.3060203028 -14.8836271399 0.5 -14.3836271399 4.9549173134 0.8073161077 0.0097186756 0.22178535 0.04369467 2.03021787 -3.11542793 0.29352019 0.41123152 -1.38109419 3.74237459 -0.69854634 0.72942725 0.31415095 2.60185867 1.53449168 -14.48635595 -0.4108392 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-44-5 2879 144210349 A F p-Cresol Cc1ccc(O)cc1 Tox21_300029 -NCGC00254631-01 196698754 tox21-ror-cho-viability-p1 set1 -2.2 48.5577336745 -46.908533575 1.8292775559 -45.0792560191 2.7202212143 0.9152276614 0.0001394583 3.04248068 6.23319432 1.03893838 1.59211859 3.80612332 -0.47464189 -0.22321233 0.20776341 -7.47135182 1.75305464 4.46650266 3.71999522 2.01867278 -18.77935046 -37.18125456 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2642-82-2 17533 144211042 A A 2,2-Bis(4-chlorophenyl)ethanol Clc1ccc(cc1)C(CO)c2ccc(Cl)cc2 Tox21_300725 -NCGC00164449-04 196722850 tox21-ror-cho-viability-p1 set3 4 0.3437624285 12.93048732 -5.43048732 7.5 3.1319983358 0.4922004955 0.1850913213 4.58591942 4.43511708 -13.09667603 -1.45984617 -18.2754061 -12.94280057 0 -1.4957105 9.25423677 6.61913474 9.11045081 3.02610553 4.39474663 7.00597589 13.23369103 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00164077-02 196722455 tox21-ror-cho-viability-p1 set3 4 1.12133832 -3.3891231 -1.722405 1.17259308 -0.44845713 -5.11325608 -3.41957905 -3.7888313 -3.82438203 -6.60796009 -2.81300189 -5.4468792 -6.86816892 -4.97805915 3.40362431 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00259615-01 196708585 tox21-ror-cho-viability-p1 set2 4 -3.27334886 -8.83980597 -8.68270429 -1.72783245 -1.58814796 -0.69302683 -1.90333769 0.29781179 -0.37059666 -0.99333242 0.36679821 0.60275746 -0.35496196 -1.27943097 -0.67611813 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.000001671 0.0000037379999999 0.000008357 0.00001869 0.00004179 0.00009344 552-30-7 11089 144209264 A A Trimellitic anhydride O=C(O)c1ccc2C(=O)OC(=O)c2c1 Tox21_202066 -NCGC00256465-01 196708170 tox21-ror-cho-viability-p1 set1 4 19.3311819617 -9.728867088 0.5 -9.228867088 4.0949729863 0.6505118637 0.0643790305 2.52219093 1.70631948 1.10091375 -1.29142503 -0.06287454 1.26221796 -1.87568008 -1.79005536 5.96725694 -5.10293789 1.60327373 -0.4154807 -4.28210965 -9.35738924 -8.57684008 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52918-63-5 40585 144213326 A I Deltamethrin Br/C(Br)=C/[C@H]3[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc1ccccc1)c2)C3(C)C Tox21_303009 -NCGC00257111-01 196708177 tox21-ror-cho-viability-p1 set1 4 5.60840278 1.76855782 0.50608327 5.26380621 0.32570718 0.38380607 4.36590908 3.62798804 9.58124088 0.51494821 7.32822848 2.64267956 11.08531633 -0.86744546 10.3374536 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-00-2 66688 144213536 A A 2,2'-(3-Chlorophenylimino)diethanol Clc1cc(ccc1)N(CCO)CCO Tox21_303219 -NCGC00256741-01 196708178 tox21-ror-cho-viability-p1 set1 4 -8.6476713 -7.81346998 0.54958107 0.59340203 -2.26336238 -13.21429606 1.15190554 -1.18963043 -16.85043132 -15.94595568 -15.50439356 -2.09087736 -7.84255351 -11.7575266 -0.51217951 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 432-25-7 9895 144212841 F F beta-Cyclocitral CC=1CCCC(C)(C)C=1C=O Tox21_302524 -NCGC00259838-01 196708590 tox21-ror-cho-viability-p1 set2 4 5.42278118 2.98571097 -2.07743504 2.45231777 -2.14076033 -0.17912112 -0.22194332 -1.29587871 -2.45585565 -0.83668242 -0.83742028 -2.23245157 0.0747344 2.99970493 2.00728501 1.162E-9 2.5969999999E-9 5.808E-9 1.299E-8 2.9039999999E-8 6.493E-8 1.4519999999E-7 3.247E-7 7.2599999999E-7 0.000001623 0.0000036299999999 0.000008117 0.000018149999999 0.000040579999999 0.00009075 108-03-2 7903 144209487 AC Ac 1-Nitropropane [O-][N+](=O)CCC Tox21_202289 -NCGC00090704-03 196708595 tox21-ror-cho-viability-p1 set2 4 68.5896218971 27.6308915361 0.3691084639 28 0.9999999999 0.632979372 0.0746331251 -6.35907628 -3.61188091 4.1069911 0.44611822 2.38599592 2.10308134 0.03476914 -3.55424651 0.43554679 8.6413868 2.38396341 5.45324045 3.34572865 6.39528053 21.39308063 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00259096-01 196708598 tox21-ror-cho-viability-p1 set2 4 0.9570429123 -19.992054324 0 -19.992054324 2.3331733767 0.976826185 1.114E-7 0.44755861 1.17286198 0.53074905 -1.12423127 -1.18320145 1.26409065 -1.81765563 -1.06955775 -5.16778695 -17.51100328 -18.9452444 -20.59658739 -20.92996524 -16.83181446 -21.66004527 1.1679999999E-9 2.612E-9 5.8409999999E-9 1.3059999999E-8 2.9209999999E-8 6.531E-8 1.4599999999E-7 3.265E-7 7.3019999999E-7 0.0000016329999999 0.0000036509999999 0.000008164 0.00001825 0.00004082 0.00009127 64-86-8 6167 144208745 A A Colchicine CC(=O)N[C@H]2CCc3cc(OC)c(OC)c(OC)c3C1=CC=C(OC)C(=O)C=C12 Tox21_201547 -NCGC00259108-01 196708994 tox21-ror-cho-viability-p1 set2 4 -1.45540773 0.60185548 -8.25903794 -4.46088944 -0.17534209 0.76435203 -0.72127896 -0.82765755 -0.55510277 0.41793069 -0.96055575 -1.57275018 -0.2088813 -0.04221532 -0.48618292 1.191E-9 2.663E-9 5.954E-9 1.331E-8 2.977E-8 6.657E-8 1.489E-7 3.3279999999E-7 7.4429999999E-7 0.0000016639999999 0.000003721 0.0000083209999999 0.00001861 0.000041609999999 0.00009303 59-66-5 1986 144208757 A A Acetazolamide O=S(N)(=O)c1nnc(NC(C)=O)s1 Tox21_201559 -NCGC00091351-03 196706114 tox21-ror-cho-viability-p1 set1 4 71.4593064448 -15.732050944 0.5 -15.232050944 4.9549173134 0.8081075606 0.0068105528 -0.10861841 -0.54918157 0.5368969 -0.40586745 -0.93149029 -1.19823056 0.69244653 -0.51052434 5.17896447 -0.53611748 0.1170475 2.54534622 0.52545382 -0.31084712 -12.27670912 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00259560-01 196705696 tox21-ror-cho-viability-p1 set1 4 4.89129595 2.83596719 5.04527107 1.02480175 2.04333987 0.58411608 1.19886219 0.02563265 -12.66473219 5.03584939 1.53506398 -0.14615471 1.84006087 2.68415522 0.79334648 1.196E-9 2.6749999999E-9 5.981E-9 1.337E-8 2.9899999999E-8 6.6869999999E-8 1.4949999999E-7 3.3429999999E-7 7.476E-7 0.0000016719999999 0.0000037379999999 0.000008358 0.00001869 0.00004179 0.00009345 3926-62-3 23665759 144209209 D Sodium chloroacetate [Na+].[O-]C(=O)CCl Tox21_202011 -NCGC00259806-01 196706106 tox21-ror-cho-viability-p1 set1 -2.2 30.5755549657 -38.5383299408 -0.999475384 -39.5378053248 1.372261 0.8535339454 0.0020181033 -4.56489223 3.72198772 -0.96260032 2.14565441 -7.64049085 -3.01953293 1.19707491 -0.51318192 6.2321996 0 -6.96347998 -11.74884946 -11.14753895 -19.97156719 -38.76255424 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018399999999 0.00004115 0.000092019999999 33229-34-4 36383 144209455 A A HC Blue 2 OCCN(CCO)c1ccc(NCCO)c(c1)[N+]([O-])=O Tox21_202257 -NCGC00259270-01 196706109 tox21-ror-cho-viability-p1 set1 4 0.2210970865 4.0288141639 -0.5288141639 3.5 4.9549173134 0.3709697392 0.3026034519 -2.21682577 -1.33628982 1.03307943 0.57512712 -0.50308032 -0.34808902 -2.09254362 4.90456609 1.55314134 9.22027098 -2.94067847 4.10409018 1.40743334 4.78332605 3.79663094 1.1989999999E-9 2.6809999999E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.701E-8 1.4979999999E-7 3.351E-7 7.492E-7 0.000001675 0.000003746 0.000008377 0.00001873 0.00004188 0.00009365 4792-15-8 62551 144208919 A A Pentaethylene glycol OCCOCCOCCOCCOCCO Tox21_201721 -NCGC00182060-03 196717626 tox21-ror-cho-viability-p1 set2 -2.4 33.4914596268 -33.605481544 -0.5 -34.105481544 4.9549173134 0.9524531626 0.0000064179 1.78519839 -2.74251466 -3.27718606 -0.63604715 0.61927372 -0.96131296 -1.37699286 0.3428116 -0.72839178 1.5723292 -2.51866055 0.38686442 -2.26215965 -1.73820358 -28.42123462 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16777-42-7 5489012 170465929 A l-Oxyfedrine hydrochloride Cl.COc1cc(ccc1)C(=O)CCN[C@@H](C)[C@H](O)c2ccccc2 Tox21_112976_1 -NCGC00015931-07 196717214 tox21-ror-cho-viability-p1 set2 3 33.4914596268 48.475927762 2.667836834 51.143764596 4.9549173134 0.9105697605 0.0001833544 1.70138925 -0.62783794 1.44768035 6.58982287 3.27786213 7.0527758 7.59475848 7.97442023 0.77834077 1.42558851 0.37881098 1.03521363 0.80330449 0.55027489 45.15973844 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77145-61-0 131746 170466744 A SR 57227A hydrochloride Cl.Clc1nc(ccc1)N2CCC(N)CC2 Tox21_110263_1 -NCGC00025216-03 196717635 tox21-ror-cho-viability-p1 set2 4 -2.9450139 -5.63982447 -0.08915952 -2.53928116 -3.60171575 -4.34788629 0.16094386 -6.43893197 0.11295451 -8.86453603 -4.3507965 -4.72721986 -5.29111158 -2.31437232 0.58269753 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112192-04-8 219050 170466119 A Roxindole Oc3ccc4ncc(CCCCN1CC=C(CC1)c2ccccc2)c4c3 Tox21_110955_1 -NCGC00015964-17 196717645 tox21-ror-cho-viability-p1 set2 4 6.6824247267 12.8264482439 -1.3264482439 11.5 4.9549173134 0.8264272932 0.0043630143 -4.89539197 0.405081 -5.68870687 1.54185694 -1.33998454 -3.54218052 -0.152741 -3.10608301 1.11907954 1.09840186 0.50529799 -1.56876912 10.48507856 10.09574496 11.62078997 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 749-02-0 5265 170465856 A Spiperone Fc1ccc(cc1)C(=O)CCCN2CCC4(CC2)C(=O)NCN4c3ccccc3 Tox21_110269_1 -NCGC00160554-02 196717647 tox21-ror-cho-viability-p1 set2 4 1.8833631789 -19.197812536 11 -8.197812536 0.3 0.8235024392 0.4211387081 50.90473928 11.365976 5.57350261 8.08443318 8.15609891 6.66186567 5.48798694 5.63492058 0.18341806 3.67456135 2.56307532 -0.56612174 1.44786461 -0.40035168 -5.16484378 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 844-26-8 68939 170466268 F Bithionoloxide Oc1c(cc(Cl)cc1Cl)S(=O)c2cc(Cl)cc(Cl)c2O Tox21_111894_1 -NCGC00253761-01 196717649 tox21-ror-cho-viability-p1 set2 4 1.41172391 -0.14808833 0.22492198 0.75118275 -6.03209792 -0.70096943 -0.05921237 -0.30195949 1.56238024 2.46134557 4.34476251 -0.58562665 0.43352518 0.29513105 1.73133116 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68576-86-3 50222 170466221 A Ac Enciprazine OC(CN1CCN(CC1)c2ccccc2OC)COc3cc(OC)c(OC)c(OC)c3 Tox21_113874 -NCGC00253641-01 196718043 tox21-ror-cho-viability-p1 set2 -1.2 2.9849294812 -36.1689033011 0.6105026099 -35.5584006912 4.9549173134 0.9283169646 0.0001213819 0.49066473 1.73930063 -0.61870995 -7.3676458 2.6123972 0.30628204 1.31326418 -1.47105116 2.91010208 3.72997318 2.16006475 -33.95400441 -40.16500072 -27.86399474 -0.15712389 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 141505-33-1 3033825 170466129 A A Levosimendan N#C/C(C#N)=N\Nc1ccc(cc1)C2=NNC(=O)C[C@H]2C Tox21_113768 -NCGC00090750-04 196718045 tox21-ror-cho-viability-p1 set2 4 24.6338054114 -10.265459364 7 -3.265459364 2.09374246 0.4508386327 0.2244917244 1.85776715 1.45852111 0.46169863 7.9714299 9.43790071 7.41392817 10.80048882 11.74289012 7.23553524 7.38303283 8.48295701 7.75874266 1.16836196 1.09849555 -3.55454947 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00249938-01 196718058 tox21-ror-cho-viability-p1 set2 4 0.421632496 -3.85518988 1.5 -2.35518988 3.5117481694 0.4718440435 0.2073083136 0.32212562 -0.46195345 0.5304473 0.21645555 0.6649309 6.25113672 4.07786946 1.32314732 0.6229213 -2.89680233 -6.1293249 -1.36641574 -3.43480278 -0.13854676 -0.63866017 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3459-20-9 23691021 170465939 A F Glymidine sodium [Na+].O=S(=O)([N-]c1ncccn1)c2cc(OCCOC)ccc2 Tox21_113714 -NCGC00254809-01 196715174 tox21-ror-cho-viability-p1 set2 4 48.5577336745 -22.51708538 -1 -23.51708538 1.826479391 0.9010249474 0.0003092427 0.356926 -2.48130655 -2.14464578 -0.13814925 -0.48052426 0.02111941 1.21084122 0.98814548 0.39336119 -4.08232632 -3.070187 -3.25970627 -2.1861043 -10.59600602 -18.34757115 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-30-2 6931 144211222 A A 3-Trifluoromethyl-4-nitrophenol O=[N+]([O-])c1ccc(O)cc1C(F)(F)F Tox21_300905 -NCGC00254629-01 196714760 tox21-ror-cho-viability-p1 set2 4 -2.03539363 -8.46438986 -6.060477 -6.29667413 -0.85281617 -5.68657151 -4.50995778 -7.34642554 -5.39104069 -1.7444176 0.19493418 -1.18179451 -8.51886664 -10.59304461 -2.99174731 9.4669999999E-10 2.117E-9 4.734E-9 1.058E-8 2.367E-8 5.292E-8 1.183E-7 2.646E-7 5.917E-7 0.0000013229999999 0.000002959 0.000006615 0.000014789999999 0.000033079999999 0.000073959999999 173584-44-6 107720 144211040 A A Indoxacarb FC(F)(F)Oc1ccc(cc1)N(C(=O)OC)C(=O)N2N=C3c4ccc(Cl)cc4C[C@@]3(OC2)C(=O)OC Tox21_300723 -NCGC00255089-01 196714763 tox21-ror-cho-viability-p1 set2 4 0.29410893 -0.4106321 -1.65832652 -2.36434661 -0.87281222 -0.7511544 0.37736967 1.24455324 1.25641488 1.82510957 1.57565891 -2.22090588 -2.77341016 -0.09201653 -0.88306862 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 210880-92-5 213027 144211508 A A Clothianidin Clc1ncc(CN/C(=N/[N+]([O-])=O)NC)s1 Tox21_301191 -NCGC00256673-01 196726833 tox21-ror-cho-viability-p1 set3 4 -1.95590756 0.59335395 -2.3266204 -22.61290392 -1.45674445 -20.66917376 -6.33800225 -1.43344673 -1.20857779 -2.87762358 -0.62040007 -2.43917075 -0.52995324 -1.90134826 0.74487337 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 138-15-8 2723891 144212969 Z A L-Glutamic acid hydrochloride Cl.OC(=O)CC[C@H](N)C(=O)O Tox21_302652 -NCGC00256965-01 196726410 tox21-ror-cho-viability-p1 set3 4 0.40187846 -0.92387365 0.17160702 -4.24865731 -3.60672849 -4.29647313 0.48377701 -8.28060446 -11.12325317 0 -3.45289978 -5.50316821 -4.72387221 -3.99097442 -2.13398161 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.000096319999999 123-05-7 31241 144213643 F 2-Ethylhexanal CCC(CCCC)C=O Tox21_303326 -NCGC00256479-01 196726418 tox21-ror-cho-viability-p1 set3 4 0.43838181 0.20589558 0.51742614 0.89671649 1.37240446 0.14560909 2.08137062 1.80391665 1.67260355 2.47476263 3.41822163 1.0391427 -1.16990716 -0.55746754 0.06720415 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 470-82-6 2758 144213219 F Fns 1,8-Cineol CC2(C)OC1(C)CCC2CC1 Tox21_302902 -NCGC00256616-01 196726419 tox21-ror-cho-viability-p1 set3 4 0.0013685429 -13.281933468 12 -1.281933468 0.5 0.3770363886 0.3121915142 8.89142931 -2.26791818 7.41206151 0.32625846 3.0924447 0.03390423 -3.56827789 1.94860462 2.39672018 -2.23641935 -3.28114731 -1.2372049 -3.31510691 0.49251581 3.88929544 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2409-55-4 17004 144213320 A A 2-tert-Butyl-4-methylphenol CC(C)(C)c1cc(C)ccc1O Tox21_303003 -NCGC00256516-01 196727258 tox21-ror-cho-viability-p1 set3 4 4.30068889 0.42893786 1.13107455 1.02558254 2.97981824 1.16121127 3.64959873 4.33909295 0.65721491 0.33211081 0.88041435 0.98948716 2.38792065 4.23357629 -0.01292702 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 509-14-8 10509 144213151 F Tetranitromethane O=[N+]([O-])C([N+]([O-])=O)([N+](=O)[O-])[N+]([O-])=O Tox21_302834 -NCGC00256608-01 196727262 tox21-ror-cho-viability-p1 set3 -2.4 43.2771256911 -33.714934024 2 -31.714934024 2.3331733767 0.9233998249 0.0000827099 3.35666306 -2.62429395 3.73267838 1.56664973 3.08911808 1.86777929 1.92226041 4.40966488 -0.38282423 2.40258684 4.44788971 -1.31055387 2.44138169 -16.08458564 -26.01244502 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 612-83-9 11933 144213211 A A 3,3'-Dichlorobenzidine dihydrochloride Cl.Cl.Nc1ccc(cc1Cl)c2ccc(N)c(Cl)c2 Tox21_302894 -NCGC00256577-01 196727263 tox21-ror-cho-viability-p1 set3 4 4.8557733675 8.320730592 -0.820730592 7.5 4.9549173134 0.4448119062 0.2467986501 4.19519903 0.04155111 0.23787883 1.04919566 -8.18394216 0.5176712 -2.70329492 -1.1083681 0.42090307 1.68258401 -1.87361209 14.93133342 3.84674075 4.90493657 2.53685435 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-24-8 5755 144213304 A A Prednisolone OCC(=O)[C@@]4(O)CC[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_302987 -NCGC00091278-03 196727672 tox21-ror-cho-viability-p1 set3 4 43.2771256911 -10.7786655999 0 -10.7786655999 2.7202212143 0.6420983983 0.0699787269 -2.93412205 -1.02217758 -0.08112686 0.96274079 2.88493626 0.33873042 -2.41092554 -0.44763551 -3.49262854 1.02345616 4.04604758 0.06620033 -0.02224571 -5.35434442 -9.398888 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00255490-01 196728083 tox21-ror-cho-viability-p1 set3 4 -2.42383675 3.63460622 -1.17674394 -1.3089838 -0.17722994 -0.35513887 -0.25030526 1.39783745 1.97494425 -4.41804485 3.05661706 -6.17919187 -3.40970967 2.34255307 4.4566656 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2050-46-6 74904 144212412 A D 1,2-Diethoxybenzene CCOc1ccccc1OCC Tox21_302095 -NCGC00256702-01 196726506 tox21-ror-cho-viability-p1 set3 4 -0.35889764 -1.5439262 0.39376071 -1.12141708 0.60187264 -0.92303522 -1.07408909 1.22534613 0 -8.70653441 0 -2.39874079 -0.58530748 -0.38849539 -1.64321372 1.177E-9 2.631E-9 5.884E-9 1.316E-8 2.942E-8 6.579E-8 1.471E-7 3.289E-7 7.355E-7 0.000001645 0.0000036779999999 0.000008223 0.00001839 0.000041119999999 0.000091939999999 1320-15-6 60196431 144212812 A F 2,4-DB-isooctyl ester Clc1cc(Cl)ccc1OCCCC(=O)OC(CC)CCCCC Tox21_302495 -NCGC00025297-04 196726077 tox21-ror-cho-viability-p1 set3 4 14.9600854925 -18.378665608 5.5 -12.878665608 1.8579476909 0.4336075606 0.2395804718 -4.1903993 0.15235364 -0.65150597 1.86420212 4.62387056 9.49821157 1.96468537 8.78515606 13.47587075 12.78783343 12.5707865 3.90817894 -5.73271978 -0.9044653 -13.23222134 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56974-61-9 6604561 170465830 A Gabexate mesilate O=C(Oc1ccc(cc1)C(=O)OCC)CCCCCNC(=N)N.CS(=O)(=O)O Tox21_110789_1 -NCGC00257136-01 196726491 tox21-ror-cho-viability-p1 set3 4 0.5448267328 5.1808818559 -3.6808818559 1.5 4.9549173134 0.4473070927 0.2284865217 0.88006444 -5.48488975 -0.50970867 -5.50462982 1.256071 -7.28400575 -8.90073488 -4.98608037 1.09619823 1.60426923 1.90274904 -0.19979893 -0.54707534 1.32737046 3.47109804 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 460-00-4 9993 144213622 F Fns 1-Bromo-4-fluorobenzene Fc1ccc(Br)cc1 Tox21_303305 -NCGC00256150-01 196700414 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -11.0295292839 2 -9.0295292839 2.9522712143 0.5509271028 0.1374198422 1.40810142 2.74822711 0.42959102 1.55699315 2.58129293 3.67820137 -1.13155691 1.36309901 2.15710489 3.85705377 7.29286048 1.75040432 0.10674734 0.08600336 -5.85794107 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 37526-59-3 2777208 144212010 F A 2-(Trifluoromethoxy)benzenesulfonamide O=S(N)(=O)c1ccccc1OC(F)(F)F Tox21_301693 -NCGC00254966-01 196699587 tox21-ror-cho-viability-p1 set1 4 -1.46603611 -0.37712755 -0.63676579 -1.25770685 0.65095646 0.83847194 -0.75854913 0.54485491 0.02471362 0.91173753 1.27386182 0.3458681 1.04881132 -6.44134413 1.44296035 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 82657-04-3 5281872 144211381 A A Bifenthrin Cl\C(=C/C3C(C(=O)OCc2cccc(c1ccccc1)c2C)C3(C)C)C(F)(F)F Tox21_301064 -NCGC00090910-03 196699595 tox21-ror-cho-viability-p1 set1 4 0.0180556645 -3.951559896 2.5 -1.451559896 2.4063783767 0.3734934408 0.3020670252 -0.83268062 7.69423105 0.68366487 1.14671949 -0.02867839 -2.17693266 -2.03287555 -2.57992143 -0.31023267 0.22691215 0.8337337 -1.4902228 -4.54296658 0.23321093 -2.46695358 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00254507-01 196700007 tox21-ror-cho-viability-p1 set1 4 1.1277836 -0.99211613 -2.26976888 -2.42125544 -4.82209248 0.42956278 -0.88085142 -0.11770447 -4.29173942 -1.16259478 -1.51280241 -1.94771669 -0.22674945 -4.58259885 2.45085867 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2104-64-5 16421 144210742 A A EPN S=P(OCC)(Oc1ccc(cc1)[N+]([O-])=O)c2ccccc2 Tox21_300424 -NCGC00255584-01 196700421 tox21-ror-cho-viability-p1 set1 4 1.68318735 -0.22762108 1.35102395 0.32726566 1.65976986 2.81530811 -0.19183561 0.7976102 -1.60767331 2.16562395 1.02148146 2.25468745 0.85487893 0.69238637 4.35254678 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1444-64-0 15046 144212259 D A 2-Phenylcyclohexanol OC2CCCCC2c1ccccc1 Tox21_301942 -NCGC00094532-06 196700432 tox21-ror-cho-viability-p1 set1 4 -0.42849426 0.32963115 0.79241043 -3.90677042 1.16486315 1.08171066 -0.57849934 -1.00257508 0.74262094 2.77765099 -5.14897045 0.17469789 -3.58328473 -3.95385044 0.11110857 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00256198-01 196700835 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -17.324404456 -1.5 -18.824404456 3.9899729863 0.6849022635 0.0456259759 0.28358711 -6.09828521 -0.096664 0.06224081 1.57436936 -2.69089526 0.81334318 0.82979166 -3.4863153 -0.3876203 -5.07309162 -4.2174361 -0.15207559 -3.49470221 -14.85367038 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33007-83-9 118379 144211956 F F 2,2-Bis{[(3-sulfanylpropanoyl)oxy]methyl}butyl 3-sulfanylpropanoate SCCC(=O)OCC(COC(=O)CCS)(COC(=O)CCS)CC Tox21_301639 -NCGC00260466-01 196724110 tox21-ror-cho-viability-p1 set3 4 0.0141179933 89.6825286938 -85.0408024543 4.6417262395 2.0437424601 0.9876782518 2.8E-9 -86.42357973 -79.12647214 -69.69956981 -47.46399855 -6.56266691 -1.1651658 0.73096267 6.49767477 9.12702479 10.74189548 8.5020828 -0.00073917 1.9851669 0.43011664 1.87724894 1.211E-9 2.709E-9 6.0569999999E-9 1.3539999999E-8 3.029E-8 6.772E-8 1.514E-7 3.386E-7 7.5719999999E-7 0.000001693 0.000003786 0.000008465 0.00001893 0.000042329999999 0.00009465 491-36-1 63112 144210118 A A 4-Hydroxyquinazoline O=C2NC=Nc1ccccc12 Tox21_202920 -NCGC00160641-01 196723696 tox21-ror-cho-viability-p1 set3 4 2.3710137656 -13.00929456 -1 -14.00929456 0.8999999999 0.8891914544 0.0009450973 0.07242137 -0.13242689 -3.31742978 -0.8222904 -0.53230694 -1.32857633 -2.33127173 0.28288589 -4.42029315 -5.33363591 -6.77504114 -7.20737573 -13.3410788 -11.08114955 2.47083577 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2898-13-7 17931 144205501 A A Sulazepam Clc1ccc2c(c1)C(=NCC(=S)N2C)c3ccccc3 Tox21_111948 -NCGC00015766-13 196723700 tox21-ror-cho-viability-p1 set3 4 0.26603212 15.709133 -5.709133 10 4.9549173134 0.6959032686 0.0399035927 5.41855986 -0.74856354 -10.87848354 -10.94515094 -4.80753268 -2.13395401 -8.56513758 -13.9242775 10.48797492 9.52729342 9.73116548 5.44704346 6.86194283 11.21725029 14.34746452 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1491-59-4 4636 170464916 A Oxymetazoline hydrochloride CC(C)(C)c2cc(C)c(CC1=NCCN1)c(C)c2O Tox21_110217_1 -NCGC00357255-01 196724107 tox21-ror-cho-viability-p1 set3 4 -7.09541041 -1.2694061 -1.44615958 -1.91391049 0.44638433 -0.68857 -4.31337672 -0.7531364 -2.03865565 -1.32230315 0.15296115 0.85770504 1.60429687 2.20275477 -5.19705985 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84-58-2 91759534 251919956 2,3-Dichloro-5,6-dicyano-p-benzoquinone ClC=1C(=O)C(C#C)=C(C#C)C(=O)C=1Cl Tox21_304048 -NCGC00255524-01 196710249 tox21-ror-cho-viability-p1 set2 -1.1 24.3365162115 -83.7096244158 0.8056600199 -82.9039643959 4.9549173134 0.9887075371 1.7E-9 6.4767661 -6.12988602 -0.13985846 1.38439355 -0.14768808 2.00784967 -0.27115463 1.42027728 0.8549168 3.80831706 1.18050302 1.596495 -18.86549758 -80.4666337 -79.11430086 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96686-51-0 2097895 144212298 A C 2-Chloro-N-(2-methyl-4-bromophenyl)acetamide Brc1cc(C)c(NC(=O)CCl)cc1 Tox21_301981 -NCGC00255657-01 196710244 tox21-ror-cho-viability-p1 set2 4 2.90522868 1.03722884 -0.75412773 -0.4369346 2.65051214 -0.12019869 -0.09954378 2.63004223 1.24756165 2.60888419 1.3402501 1.38386778 -0.40502415 0.88827207 0.17438388 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4845-50-5 96170 144211723 A A 1,4-Dioxane-2,3-diol OC1OCCOC1O Tox21_301406 -NCGC00255709-01 196710246 tox21-ror-cho-viability-p1 set2 4 3.90962746 0.00864418 -7.03359523 0.78118042 0.81793768 1.83848653 -0.3877043 -0.10757449 2.88232336 0.30135201 -0.87954487 0.06078672 2.25945535 -0.02587247 0.74017773 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4128-37-4 20084 144212292 A A 1,3-Dipropan-2-ylurea CC(C)NC(=O)NC(C)C Tox21_301975 -NCGC00256304-01 196710247 tox21-ror-cho-viability-p1 set2 4 0.38220047 1.05456368 0.02910536 -0.1333402 0.60883909 -1.22280309 0.21625269 0.52630164 0.55233332 -4.13346666 0.28455123 0.03739287 -0.14444701 2.22092928 0.14534084 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4062-60-6 77680 144211836 A Ac N,N'-Di-tert-butylethane-1,2-diamine CC(C)(C)NCCNC(C)(C)C Tox21_301519 -NCGC00255876-01 196710252 tox21-ror-cho-viability-p1 set2 4 1.17979591 3.72660438 0.51651443 1.84968266 2.83767068 -0.74300154 -0.72437535 -0.56865346 0.70501217 0.71488659 -1.12843503 0.75968923 1.2247251 0.92407174 4.76254089 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5116-94-9 82161 144212283 F F Monotridecyl phosphate OP(O)(=O)OCCCCCCCCCCCCC Tox21_301966 -NCGC00255255-01 196710664 tox21-ror-cho-viability-p1 set2 4 5.08050706 -0.59380559 0.95513514 -1.12932678 1.2100848 1.05856196 0.83993492 -0.01843635 2.08790944 2.14639573 -0.37043026 0.7285663 -0.54340441 2.91852443 0.70977988 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 657-24-9 4091 144212687 A Metformin N=C(N)NC(=N)N(C)C Tox21_302370 -NCGC00255802-01 196710665 tox21-ror-cho-viability-p1 set2 4 0.685896219 3.8860175639 -4.8860175639 -1 4.9549173134 0.3622574698 0.3276217113 -2.75507457 -7.85190214 -1.78899141 -2.0837945 -3.08962337 -4.01544576 -10.73834797 -7.83434571 -2.26148046 0.45693673 -0.09020525 -1.93953506 -2.39407733 -1.63433476 -2.50102583 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14814-09-6 84658 144212510 F F 3-(Triethoxysilyl)propane-1-thiol CCO[Si](OCC)(OCC)CCCS Tox21_302193 -NCGC00256816-01 196707793 tox21-ror-cho-viability-p1 set1 4 2.35518238 1.48869706 2.90629088 3.51916614 2.34715547 2.18547792 4.05845772 2.89808784 -1.16267638 2.05467828 0.18204399 -0.22914949 0.89330935 3.77026401 6.05825221 1.109E-9 2.4799999999E-9 5.5449999999E-9 1.2399999999E-8 2.772E-8 6.199E-8 1.3859999999E-7 3.1E-7 6.931E-7 0.00000155 0.000003465 0.000007749 0.00001733 0.00003874 0.00008664 55-06-1 23666110 144212831 A B 3,3',5-Triiodo-l-thyronine sodium salt [Na+].[O-]C(=O)[C@@H](N)Cc2cc(I)c(Oc1cc(I)c(O)cc1)c(I)c2 Tox21_302514 -NCGC00257187-01 196707782 tox21-ror-cho-viability-p1 set1 4 136.8542877692 13.547902076 1.452097924 15 0.7999999999 0.3735564533 0.3006241931 1.04526065 0.9930097 0.97304222 1.90356999 -0.87325173 2.55244564 0.39561928 0.43614549 7.44206904 -0.07073054 2.46750312 3.15599402 4.30569118 0.16567895 10.93488007 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 72-14-0 5340 144213555 A A Sulfathiazole O=S(=O)(Nc1nccs1)c2ccc(N)cc2 Tox21_303238 -NCGC00257456-01 196707786 tox21-ror-cho-viability-p1 set1 4 10.74748667 2.28250052 0.94208097 2.94934583 -1.85732135 2.39815791 6.81659852 1.2362895 5.43248353 2.63552554 3.91376863 -2.20824371 -1.73383858 1.24149396 2.7718552 7.314E-10 1.636E-9 3.657E-9 8.1779999999E-9 1.829E-8 4.089E-8 9.1429999999E-8 2.0439999999E-7 4.571E-7 0.000001022 0.000002286 0.000005111 0.000011429999999 0.00002556 0.00005714 521-18-6 10635 144213957 A F 5alpha-Dihydrotestosterone O=C3C[C@@H]4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)CC[C@@H]12)[C@@]4(C)CC3 Tox21_303655 -NCGC00159417-06 196707791 tox21-ror-cho-viability-p1 set1 -2.1 49.6956931991 -98.1308892859 -8.095943008 -106.2268322939 0.8999999999 0.8650870949 0.0013750519 0.48455713 -2.39480495 -1.42242227 -9.23109398 -17.82906577 -14.45995405 -16.38550711 -19.49210897 -20.06132126 -16.08264295 -16.9265831 -17.87873813 -26.09465132 -52.69660282 -80.47487295 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008409 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00256904-01 196708203 tox21-ror-cho-viability-p1 set1 4 48.5577336745 8.3715496119 -0.3715496119 8 1.4641 0.365991141 0.3086492269 -1.02496401 -0.22380255 -0.00625552 0.00562099 2.14737003 1.11143251 -0.85460151 -0.70280309 -7.39295801 1.49448798 2.28887653 2.19947953 -0.30843688 2.60433355 6.39596957 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 1679-07-8 15510 144212992 Fns Cyclopentanethiol SC1CCCC1 Tox21_302675 -NCGC00259050-01 196709018 tox21-ror-cho-viability-p1 set2 4 0.48164556 2.42663289 1.46919443 -0.93865262 1.30207444 3.74791767 1.88032284 3.60224477 2.43778543 -0.42658176 0.54614096 0.29600032 3.40453795 5.05500274 0.27217396 1.1919999999E-9 2.6649999999E-9 5.959E-9 1.332E-8 2.979E-8 6.662E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.0000016659999999 0.000003724 0.0000083279999999 0.00001862 0.00004164 0.00009311 1122-62-9 14286 144208697 A Ac 2-Acetylpyridine CC(=O)c1ccccn1 Tox21_201499 -NCGC00256573-01 196719321 tox21-ror-cho-viability-p1 set2 -2.2 27.3060203028 -48.9723266348 2.131040744 -46.8412858908 1.4780888099 0.9796791561 5.21E-8 1.00522189 1.17357608 1.2866306 3.96233836 0.84788272 1.29341084 2.31950166 4.00762411 1.22900582 -0.3322056 0.30958514 -4.46239999 -17.12556837 -25.14391277 -43.37156101 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-18-7 2406 144213236 A A Bithionol Oc2c(Sc1cc(Cl)cc(Cl)c1O)cc(Cl)cc2Cl Tox21_302919 -NCGC00256951-01 196718887 tox21-ror-cho-viability-p1 set2 4 -7.05044916 -1.50015232 -5.05868235 0.04902568 -1.31984317 -4.67769831 -1.83825202 -3.20902229 0.10871009 -3.25131264 2.92820977 -2.05931296 -3.07297478 1.06550681 2.15133021 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-83-8 7958 144213408 Fns Diisobutyl ketone CC(C)CC(=O)CC(C)C Tox21_303091 -NCGC00257277-01 196718893 tox21-ror-cho-viability-p1 set2 4 -1.07399766 -2.82556864 -3.97002499 -3.10131879 -2.63641386 -0.05776738 -9.35063287 -1.60220988 -0.85900932 -0.36838725 -2.4985272 2.34017914 -0.2899692 -2.00884113 -3.06775716 8.8929999999E-10 1.988E-9 4.446E-9 9.9419999999E-9 2.2229999999E-8 4.9709999999E-8 1.1119999999E-7 2.486E-7 5.5579999999E-7 0.000001243 0.000002779 0.000006214 0.000013889999999 0.00003107 0.00006947 272451-65-7 11193251 144213743 A A Flubendiamide O=C(Nc1ccc(cc1C)C(F)(C(F)(F)F)C(F)(F)F)c2cccc(I)c2C(=O)NC(C)(C)CS(C)(=O)=O Tox21_303432 -NCGC00257493-01 196719320 tox21-ror-cho-viability-p1 set2 -1.2 5.7912314164 -35.7065452275 1 -34.7065452275 2.5334283767 0.9966219093 0 0.57522057 -0.39773028 0.48852513 1.48803593 1.11794457 0.69215087 -0.56419005 1.65173721 0.53799445 0.8584055 -7.48448875 -23.06008417 -33.10051667 -34.39170634 -11.93219148 1.128E-9 2.523E-9 5.642E-9 1.2619999999E-8 2.821E-8 6.3079999999E-8 1.4099999999E-7 3.154E-7 7.052E-7 0.0000015769999999 0.0000035259999999 0.000007885 0.00001763 0.00003942 0.00008816 134-31-6 517000 144213843 D A 8-Hydroxyquinoline sulfate O=S(=O)(O)O.Oc1cccc2cccnc12.Oc1cccc2cccnc12 Tox21_303537 -NCGC00179669-04 196717656 tox21-ror-cho-viability-p1 set2 4 5.3080386368 10.282523524 -6.282523524 4 0.5 0.698731525 0.039581579 -6.10564114 -3.48158222 -7.73543627 -6.92205035 -3.99463745 -6.43176108 -4.74038626 -4.7272893 -5.02614168 -4.46447976 -0.08987746 -0.94613059 -0.66298953 -2.80483237 3.51530971 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68-22-4 6230 170464683 F Norethindrone O=C4CC[C@H]3C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@@]1(O)C#C)=C4 Tox21_111322_1 -NCGC00091210-02 196716422 tox21-ror-cho-viability-p1 set2 4 21.6899429044 -14.374985608 -2 -16.374985608 1.6266150999 0.7789670712 0.0120956873 -5.09556341 -1.78567 -3.81211282 -3.02735808 -6.26447957 -0.60859686 -1.05828092 2.53825968 -0.42195248 -0.28398959 -1.30001812 -4.53790318 -10.42089588 -10.39930319 -16.14582134 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00160678-03 196716826 tox21-ror-cho-viability-p1 set2 4 -4.7564748 -0.88772785 -1.03325369 -2.4240738 -0.70375933 -1.61676354 -0.41420566 -0.52659561 -2.25430106 -1.80795022 -3.24089491 -4.71088203 -4.41305905 -3.58310322 -7.85107862 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 37561-27-6 72098 170466194 A Fenoverine O=C(CN3CCN(Cc1ccc2OCOc2c1)CC3)N4c6ccccc6Sc5ccccc45 Tox21_111981_1 -NCGC00247674-01 196716827 tox21-ror-cho-viability-p1 set2 4 1.13175094 -2.84713811 -4.69300635 -1.08725411 -5.74037385 -3.71787848 2.70519531 -3.30899917 -13.18725982 -12.69034286 -1.70634504 1.46769162 -4.67928162 -6.50671267 -7.11795029 1.3929999999E-9 3.115E-9 6.9659999999E-9 1.5579999999E-8 3.483E-8 7.7889999999E-8 1.7419999999E-7 3.894E-7 8.708E-7 0.000001947 0.000004354 0.000009736 0.00002177 0.000048679999999 0.00010879999999 832-92-8 71580 144206375 A A Mescaline hydrochloride Cl.COc1c(cc(cc1OC)CCN)OC Tox21_112822 -NCGC00247351-03 196717660 tox21-ror-cho-viability-p1 set2 4 2.3965754738 -13.5618426881 14 0.4381573119 0.9999999999 0.6868008136 0.0443429488 11.83468391 12.69507293 10.92872265 13.97189349 16.78750476 15.12569126 18.02847866 14.79777449 2.18390775 10.14531464 10.9867893 0.76882729 1.34113005 -0.46820224 3.17678397 1.165E-9 2.605E-9 5.825E-9 1.302E-8 2.912E-8 6.5119999999E-8 1.456E-7 3.256E-7 7.281E-7 0.000001628 0.000003641 0.000008141 0.0000182 0.0000407 0.00009101 124819-25-6 12259683 144206430 A A (-)-Pentazocine succinate O=C(O)CCC(=O)O.C/C(C)=C\CN2CC[C@@]1(C)c3cc(O)ccc3C[C@@H]2[C@@H]1C Tox21_112877 -NCGC00263538-01 196717668 tox21-ror-cho-viability-p1 set2 1.1 0.5308038637 79.9248839199 1.3693056879 81.2941896078 1.826479391 0.9446074773 0.0001891705 1.01328147 -0.12359671 3.10635173 4.66642412 0.87990879 2.22281828 8.14841679 8.18264514 16.09490723 66.1922802 79.70018589 64.36473906 53.15748176 36.82937653 39.51132356 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 147059-75-4 62960 170465074 A Trovafloxacin mesylate CS(=O)(=O)O.O=C(O)C2=CN(c1nc(c(F)cc1C2=O)N3C[C@H]4[C@H](N)[C@H]4C3)c5ccc(F)cc5F Tox21_110980_1 -NCGC00263581-01 196717670 tox21-ror-cho-viability-p1 set2 -2.2 26.6032120037 -52.9804050154 1.5851440695 -51.3952609459 3.5117481694 0.9856661724 6.9E-9 -0.71329843 0.43155319 3.27334552 2.49424589 1.81302846 2.02304681 4.05828456 0.13500531 2.80868058 2.34095292 -0.17282649 0.60050212 2.46101219 -14.93197654 -44.23883405 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 434-07-1 5281034 170465403 A Oxymetholone O=C3C[C@@H]4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@]1(C)O)[C@@]4(C)C\C3=C\O Tox21_111131_1 -NCGC00256713-01 196727758 tox21-ror-cho-viability-p1 set3 4 0.76783328 0.52073204 4.71797655 0.88573692 5.00583881 -0.29576728 0.13241752 -0.68592559 -18.97752344 -3.31736862 -14.45676336 4.19739545 -0.05398709 9.97972035 4.27728627 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7335-26-4 81784 144212997 A A Ethyl 2-methoxybenzoate COc1ccccc1C(=O)OCC Tox21_302680 -NCGC00256238-01 196728180 tox21-ror-cho-viability-p1 set3 4 -2.17846897 5.0527044 3.42265461 4.8385736 9.10446639 -0.2307501 17.65181368 -2.63459168 -2.0684609 17.28590306 7.76374165 9.69868024 0.48431134 1.58446061 -6.85145728 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13360-78-6 23672293 144212078 Ac Sodium bis(2-methylpropyl)phosphinodithioate [Na+].[S-]P(=S)(CC(C)C)CC(C)C Tox21_301761 -NCGC00257244-01 196727754 tox21-ror-cho-viability-p1 set3 -2.4 27.3060203028 -24.686563184 0.5 -24.186563184 4.9549173134 0.875018183 0.0009607419 -0.22122274 -0.87422069 -2.74991701 0.40190062 2.24486616 0.02579194 -2.4941025 -2.4227195 5.3759168 0.42208684 1.96130831 -0.12037044 0.78456123 -27.65546932 -19.39688092 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18979-55-0 29354 144213781 A A 4-(Hexyloxy)phenol Oc1ccc(OCCCCCC)cc1 Tox21_303471 -NCGC00255591-01 196728160 tox21-ror-cho-viability-p1 set3 -2.2 25.6759626465 -52.362594345 -1.7607269189 -54.1233212639 1.4163171 0.9925987489 1E-10 -3.94505951 0.13067159 -1.14639135 -1.45397449 -1.2417265 -1.40739557 -0.87027031 -0.91192359 -3.69680084 -2.94406496 -6.57805041 -10.98623811 -19.76896117 -35.75808956 -47.4765976 1.121E-9 2.506E-9 5.6039999999E-9 1.2529999999E-8 2.802E-8 6.265E-8 1.401E-7 3.133E-7 7.005E-7 0.000001566 0.0000035019999999 0.000007831 0.00001751 0.00003916 0.00008756 6625-46-3 5483526 144212088 Ac C.I. Acid Violet 12, disodium salt [Na+].[Na+].[O-]S(=O)(=O)c3cc2cc(c(/N=N/c1ccccc1OC)c(O)c2c(c3)NC(C)=O)S([O-])(=O)=O Tox21_301771 -NCGC00255253-01 196728580 tox21-ror-cho-viability-p1 set3 4 0.28728453 -0.71958007 3.6594852 0.65837219 1.52428413 -0.49393035 1.98282192 0.59986832 2.27132185 0.78503341 -0.55204446 -1.63879676 -1.43963996 -4.72535437 -2.73539154 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 357-57-3 442021 144212491 A A Brucine COc1cc2c(cc1OC)N5C(=O)C[C@@H]4OCC=C3CN7CC[C@]26[C@@H]7C[C@@H]3[C@@H]4[C@H]56 Tox21_302174 -NCGC00255550-01 196728582 tox21-ror-cho-viability-p1 set3 4 0.81305897 4.02525234 -0.15449968 7.18572712 6.0847997 0.15931014 4.1323267 2.98613914 1.98504196 2.2972409 4.25288102 3.06271641 2.0825974 -1.88556949 1.05916656 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-97-4 31234 144211991 A A 3-Phenyl-1-propanol OCCCc1ccccc1 Tox21_301674 -NCGC00256186-01 196728583 tox21-ror-cho-viability-p1 set3 4 0.97584883 0.99634817 3.66955855 5.36712591 0.21942677 0.79746693 3.3624943 7.4148177 1.98450066 -0.35000087 0.14649965 -0.48449918 2.8120733 2.27206157 0.72801943 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27253-33-4 60196426 144212108 F Calcium neodecanoate [Ca+2].[O-]C(=O)C(C)(CC)CCC(C)C.CC(C)CCC(C)(CC)C([O-])=O Tox21_301791 -NCGC00255245-01 196728595 tox21-ror-cho-viability-p1 set3 4 4.8557733675 -6.0395006279 1.5 -4.5395006279 4.9549173134 0.5899775983 0.1055236568 0.07206976 3.18389478 1.13896612 -1.00602848 1.09469431 -0.96299744 4.63871482 1.35703592 0.65516253 3.06793617 1.35827159 -8.78291719 -1.96251197 -1.68521228 -6.6126802 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-92-7 8908 144211710 F F Hexyl acetate O=C(C)OCCCCCC Tox21_301393 -NCGC00255620-01 196728600 tox21-ror-cho-viability-p1 set3 4 -0.78657221 5.54409285 -7.45258017 -15.13859447 5.03105449 -4.12792644 5.63858691 -2.25210809 -11.20135727 8.72871957 -10.63497128 11.07856624 10.11658658 5.89699688 0.98619502 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1123-85-9 14295 144212658 A A 2-Phenylpropan-1-ol OCC(C)c1ccccc1 Tox21_302341 -NCGC00255564-01 196728993 tox21-ror-cho-viability-p1 set3 -3 61.130564862 -67.607364199 1.342344262 -66.265019937 4.9549173134 0.9082367984 0.0002086936 1.38107491 13.08806399 -1.56205498 0.64214699 0.537676 -1.29996516 9.33637349 2.91324477 1.49506991 3.26937746 -5.93140151 1.62512525 -6.65052251 -6.71061755 -58.48849339 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 973-21-7 13783 144212541 A A Dinobuton CC(CC)c1cc(cc([N+]([O-])=O)c1OC(=O)OC(C)C)[N+]([O-])=O Tox21_302224 -NCGC00255576-01 196729014 tox21-ror-cho-viability-p1 set3 4 -0.10889605 -4.44845856 -0.6125313 -0.95867809 -1.06438998 -0.6365028 -0.31635335 -5.37660775 -3.53734288 -0.30295352 -1.4822411 0.29056749 -6.70999394 -3.76027703 -7.05613575 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58846-77-8 62142 144212254 A A Decyl beta-D-glucopyranoside OC[C@H]1O[C@@H](OCCCCCCCCCC)[C@H](O)[C@@H](O)[C@@H]1O Tox21_301937 -NCGC00258245-01 196729408 tox21-ror-cho-viability-p1 set3 4 1.16857552 -0.37141423 -1.36212723 -3.09742697 0.25458195 -2.0041357 0.26750878 -3.15965457 -4.60283453 -0.83720263 -19.87774149 -0.01178417 3.12227218 -2.05967367 -1.82928681 1.1679999999E-9 2.6109999999E-9 5.838E-9 1.305E-8 2.919E-8 6.5269999999E-8 1.4599999999E-7 3.264E-7 7.298E-7 0.0000016319999999 0.0000036489999999 0.000008159 0.000018239999999 0.000040799999999 0.00009122 8008-26-2 144207889 FNS Lime oil Tox21_200691 -NCGC00178703-05 196698377 tox21-ror-cho-viability-p1 set1 4 -6.75073003 -4.19241763 -14.70733671 -5.136842 -5.97890857 -2.87618741 -7.09348739 -8.87249602 -0.3607757 -5.7736019 -7.81960644 -6.03311776 -2.78663703 -8.44212827 -0.66295764 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 546-48-5 60196260 170465036 A Pempidine d-tartaric acid CC1(C)CCCC(C)(C)N1C.O=C(O)[C@@H](O)[C@H](O)C(=O)O Tox21_110313_1 -NCGC00017366-08 196698380 tox21-ror-cho-viability-p1 set1 4 1.59186813 7.34079947 2.9452797 0.25407418 3.86097558 0.28290279 -3.23688342 2.06130946 0.1500904 4.8854125 0.33743909 5.8391252 2.43083406 -2.87481744 0.05526329 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66104-23-2 47812 170465250 A Pergolide methanesulfonate CS(=O)(=O)O.CSC[C@@H]1C[C@@H]2c3cccc4ncc(C[C@H]2N(C1)CCC)c34 Tox21_110820_1 -NCGC00254581-01 196699191 tox21-ror-cho-viability-p1 set1 -1.2 20.1399689564 -44.3365296539 -1.913530294 -46.2500599479 4.9549173134 0.981369805 3.15E-8 -0.04526706 -2.49185546 -2.85815578 0.29265484 -4.02687054 -1.32004521 -1.77762677 -2.19528881 -1.75209815 -4.87267175 -5.53414555 0.01288981 -19.66924519 -48.8426481 -43.61377873 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 3025-30-7 5281162 144210990 FC Ethyl (2E,4Z)-deca-2,4-dienoate O=C(\C=C\C=C/CCCCC)OCC Tox21_300673 -NCGC00091657-02 196699612 tox21-ror-cho-viability-p1 set1 4 2.44815305 7.50467039 2.27194795 -1.47940156 -2.68952541 1.27101206 8.8591416 0.15224844 4.87497257 -1.50077822 5.31753549 1.61809881 7.44841095 6.4245375 8.19761116 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00254331-01 196699618 tox21-ror-cho-viability-p1 set1 4 21.6899429044 -19.092198932 2.5 -16.592198932 0.2 0.4113495538 0.2620857117 -3.3381749 3.12784827 0.07771995 -0.93411938 0.38470876 -4.09253207 -0.56386532 -3.28066941 -4.9792778 -9.14708967 -7.99617296 -1.52991596 0.23585408 -12.99349911 -8.9099428 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1191-50-0 23665770 144210694 A A Sodium myristyl sulfate [Na+].[O-]S(=O)(=O)OCCCCCCCCCCCCCC Tox21_300376 -NCGC00255090-01 196699619 tox21-ror-cho-viability-p1 set1 4 0.00917354 1.85924145 -4.32373936 -0.8484599 -4.5237678 -4.95212358 -2.29500384 -7.70250934 -7.74885289 -5.9084511 -0.89611876 -5.87182155 -3.63980691 -0.38904788 -5.17876613 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85264-33-1 96393 144211509 A D (3,5-Dimethyl-1H-pyrazol-1-yl)methanol Cc1cc(C)nn1CO Tox21_301192 -NCGC00091011-05 196699626 tox21-ror-cho-viability-p1 set1 4 0.0544826733 4.2278144079 -4.2278144079 0 4.9549173134 0.3955160364 0.2795827362 -0.11170263 -3.18769593 -1.69429027 -6.7025693 -10.18984534 -0.26736942 -0.45687629 0.38894199 -0.61883735 -0.71613199 -1.55055403 -1.85256969 2.06171073 0.33290437 -0.16070305 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00254906-01 196699629 tox21-ror-cho-viability-p1 set1 4 54.4826732819 -21.795291208 -1 -22.795291208 1.0999999999 0.6403283336 0.0701955621 -0.23369701 -0.46058902 0.94318121 2.32420992 -2.00439439 -0.96468914 -0.56861246 0.18156875 -9.33263537 -1.24956376 -7.06885492 1.43213699 -7.08089028 -7.91479433 -17.32940934 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4658-28-0 3032472 144211321 A A Aziprotryne CSc1nc(/N=[N+]=[N-])nc(NC(C)C)n1 Tox21_301004 -NCGC00254101-01 196700026 tox21-ror-cho-viability-p1 set1 4 3.45791598 -2.35683493 2.60836162 4.0209908 3.26847216 3.27882388 -1.07408983 5.0342749 4.64092054 -2.45279788 4.30808637 4.64401474 -2.31722366 0.15765972 3.92607743 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-99-0 7473 144210337 A Ac 4-Nitrotoluene Cc1ccc(cc1)[N+](=O)[O-] Tox21_300017 -NCGC00254977-01 196700029 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -14.37559688 -0.5 -14.87559688 4.9549173134 0.569840656 0.1208679203 -2.02755128 0.0009454 -2.17206309 -0.74746941 -2.12333589 -1.26159917 -0.64773119 -3.86913321 -1.67513375 0.91065079 -2.23509683 -1.03181989 6.75750693 0.00990051 -11.5629974 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 113136-77-9 11097730 144211393 A A Cyclanilide O=C(O)C1(CC1)C(=O)Nc2ccc(Cl)cc2Cl Tox21_301076 -NCGC00255028-01 196700038 tox21-ror-cho-viability-p1 set1 4 2.17499692 1.03247076 -1.21295803 0.05013501 3.24058651 0.69092818 -0.20380742 0.6188767 -0.41553074 0.85065676 -1.53265841 1.55830587 0.14637904 -1.70753826 2.91711368 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 499-83-2 10367 144211446 A A 2,6-Pyridinedicarboxylic acid OC(=O)c1cccc(n1)C(=O)O Tox21_301129 -NCGC00258054-01 196702138 tox21-ror-cho-viability-p1 set1 4 69.2877332643 -19.021586812 3 -16.021586812 3.6772481694 0.7274355444 0.0272367767 1.89506551 1.56142416 2.61448153 10.71482272 2.38321498 2.05334844 3.52054497 2.44058225 3.6174027 0.96411596 3.65148937 1.8522069 1.94698702 0.7706613 -11.26798901 1.19E-9 2.6619999999E-9 5.951E-9 1.331E-8 2.976E-8 6.654E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.00000372 0.000008317 0.0000186 0.00004159 0.000092989999999 24589-77-3 90547 144207698 FC 4-Hydrazinobenzoic acid hydrochloride Cl.NNc1ccc(cc1)C(=O)O Tox21_200500 -NCGC00255982-01 196710287 tox21-ror-cho-viability-p1 set2 4 27.3060203028 -14.9092346359 1 -13.9092346359 1.287561 0.8097945619 0.0065236957 5.63956385 3.05568674 1.0341403 -0.73273009 0.00240025 -1.21257984 0.19020135 0.0083229 -0.67392125 -0.42874161 0.64978153 -2.67742163 -2.63932256 -9.54751406 -10.75769553 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4726-14-1 20848 144212218 A A Nitralin O=S(C)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_301901 -NCGC00256247-01 196710273 tox21-ror-cho-viability-p1 set2 4 4.33840433 3.55319249 1.46168816 2.72055229 1.14702414 1.41746569 2.38469838 0.32733373 1.38809897 -0.82663131 -0.45577384 3.27639738 0.10529462 0.96833121 1.91850774 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17945-05-0 87367 144212111 F A Ethyl [3-(triethoxysilyl)propyl]carbamate CCO[Si](OCC)(OCC)CCCNC(=O)OCC Tox21_301794 -NCGC00255114-01 196710276 tox21-ror-cho-viability-p1 set2 4 0.002730602 10.255357912 -10.755357912 -0.5 2.2526478767 0.6367891076 0.0859266133 -8.96279826 -6.72528963 -1.07420762 -0.06654797 1.30118546 -4.06828407 -2.14069733 2.34570507 1.82946036 -0.2364517 -3.9030324 -1.55209954 0.60910404 -1.67578435 -4.20320495 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-10-3 444539 144212454 A A E-Cinnamic acid O=C(O)/C=C/c1ccccc1 Tox21_302137 -NCGC00255410-01 196710278 tox21-ror-cho-viability-p1 set2 4 1.98146822 -0.75774396 -2.59049575 -0.61101662 0.98498764 2.01243197 0.6242182 -0.11317273 0.14062132 1.76907594 2.17312446 0.84039331 2.66869055 0.09830032 7.36503461 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 163520-33-0 6451155 144211570 A A Isoxadifen-ethyl CCOC(=O)C=1CC(ON=1)(c2ccccc2)c3ccccc3 Tox21_301253 -NCGC00256205-01 196710685 tox21-ror-cho-viability-p1 set2 4 5.92280584 -1.23973231 0.54950391 1.55358374 0.35763969 -0.32609096 1.07468196 0.11564714 -0.71395081 2.24812155 1.17968785 0.01408815 1.30037608 1.51104443 3.01403727 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77771-02-9 173604 144211950 A A 3-Bromo-4-fluorobenzaldehyde Fc1ccc(C=O)cc1Br Tox21_301633 -NCGC00091632-02 196710689 tox21-ror-cho-viability-p1 set2 4 3.9418111 -1.09169841 -1.08338713 -0.60836482 0.84465814 -1.80872357 -1.54892519 4.94858511 3.88433449 -0.24218021 4.72235412 -0.81808582 3.76779726 2.34032392 3.94664003 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00255332-01 196710705 tox21-ror-cho-viability-p1 set2 4 4.67559522 -0.6895161 0.27746523 0.74743076 -0.14497802 -0.12732764 0.07965563 1.41594577 0.98379892 2.708607 1.15448381 0.35911782 0.11619744 0.31386394 2.20273827 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 298-06-6 9274 144211810 F A O,O-Diethyl dithiophosphate CCOP(=S)(S)OCC Tox21_301493 -NCGC00255557-01 196710707 tox21-ror-cho-viability-p1 set2 -1.1 3.0637858693 -87.9762716954 -0.6293920969 -88.6056637923 2.3331733767 0.9941614325 0 -2.85304212 0.65334411 -0.88265264 0.71774536 -0.34275802 -0.21232172 -0.51021362 2.86511479 -10.63321453 -18.57768684 -50.33926319 -84.92132725 -88.10983405 -88.42880618 -84.63231931 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3347-22-6 18771 144212722 F F Dithianon N#CC=1SC3=C(SC=1C#N)C(=O)c2ccccc2C3=O Tox21_302405 -NCGC00259593-01 196708643 tox21-ror-cho-viability-p1 set2 4 3.83102607 -0.59124098 5.41624754 1.10291706 1.23059613 -0.30007178 1.99483449 1.83783683 2.45925037 0.70844541 2.00863484 3.31505696 5.76455918 7.8947826 4.66583162 1.155E-9 2.582E-9 5.7739999999E-9 1.291E-8 2.887E-8 6.456E-8 1.444E-7 3.2279999999E-7 7.2179999999E-7 0.000001614 0.0000036089999999 0.00000807 0.000018039999999 0.00004035 0.00009022 2436-90-0 17090 144209242 FNS 3,7-Dimethylocta-1,6-diene C=CC(C)CC\C=C(\C)C Tox21_202044 -NCGC00256778-01 196708226 tox21-ror-cho-viability-p1 set1 4 5.61732023 4.09838931 5.56352428 4.06848877 0.00745977 1.18780769 1.67347847 5.85110914 -3.36416253 3.58797746 2.80674345 -2.22791658 -2.1875214 0.5606299 3.88312273 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1193-81-3 137829 144212829 A A 1-Cyclohexylethanol CC(O)C1CCCCC1 Tox21_302512 -NCGC00257471-01 196708229 tox21-ror-cho-viability-p1 set1 4 -1.13024559 -0.06681744 0.14662413 2.33392552 -2.76353746 2.49415494 -0.40202674 2.07140281 0.44593343 2.5912661 2.33148526 1.52863782 0.58444721 -0.00033223 4.97023614 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81-90-3 66494 144213949 A A Phenolphthalin Oc1ccc(cc1)C(c2ccccc2C(=O)O)c3ccc(O)cc3 Tox21_303646 -NCGC00258804-01 196708632 tox21-ror-cho-viability-p1 set2 4 -0.92538609 -0.49466669 -3.44969021 -4.35149298 -1.32736093 0.92715298 -0.62196191 11.22723117 0.21024353 0.51661132 0.05654325 -2.33719275 -0.59534848 3.74085163 0.01793526 1.1779999999E-9 2.633E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.00000368 0.00000823 0.000018399999999 0.00004115 0.00009201 10016-20-3 444913 144208450 A A alpha-Cyclodextrin O[C@@H]2[C@@H](O)[C@@H]1O[C@H]7O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]2O[C@@H]1CO)[C@H](O)[C@H]3O)[C@H](O)[C@H]4O)[C@H](O)[C@H]5O)[C@H](O)[C@H]6O)[C@H](O)[C@H]7O Tox21_201252 -NCGC00257395-01 196718504 tox21-ror-cho-viability-p1 set2 -2.2 27.3060203028 -45.2843125132 4 -41.2843125132 1.24751 0.9476478755 0.0000108183 2.82932122 3.57629654 3.19129882 2.20463386 3.89337031 5.55876498 1.91581329 6.69397621 5.78394364 3.99992493 -0.68898028 -5.12646156 -14.98432831 -17.16510815 -38.22621529 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131-55-5 8571 144213944 A A 2,2',4,4'-Tetrahydroxybenzophenone O=C(c1ccc(O)cc1O)c2ccc(O)cc2O Tox21_303639 -NCGC00090686-07 196718500 tox21-ror-cho-viability-p1 set2 4 -2.61987472 -6.94663779 -4.33270263 -0.36509145 -7.60871804 -6.4487811 -2.35985149 -6.41626444 -0.44958013 -5.4779836 1.60196346 1.22044359 -4.73974901 -7.4374045 -2.92733707 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00256839-01 196718501 tox21-ror-cho-viability-p1 set2 4 2.32699731 2.14831176 2.87317517 2.49902823 0.34761403 5.72544071 -0.34558532 3.70398297 0.99164333 7.27295775 9.50062463 5.07749091 3.12893665 2.18696353 3.23820869 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-29-5 31251 144212905 A Ac Ethyl nonanoate O=C(CCCCCCCC)OCC Tox21_302588 -NCGC00256367-01 196718502 tox21-ror-cho-viability-p1 set2 4 2.4336516212 6.0410680159 -5.5410680159 0.5 0.7999999999 0.3871674281 0.2865397687 -2.36675451 -9.07710459 -1.38877334 -3.84079971 -12.11755668 -6.97894898 -4.02450429 -2.46863062 -2.31571657 -5.8564788 -1.93504909 0.03957466 -0.54045124 -1.09100595 0.47676104 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2016-57-1 8916 144213255 A Ac 1-Decanamine CCCCCCCCCCN Tox21_302938 -NCGC00256874-01 196718900 tox21-ror-cho-viability-p1 set2 4 1.87050015 0.93217694 0.80229108 2.38754852 2.98363484 8.2964914 1.67024742 7.29040154 2.96139792 5.33224252 3.77729392 1.05813423 5.17826425 5.95302485 0.9682733 1.912E-9 4.276E-9 9.5619999999E-9 2.138E-8 4.7809999999E-8 1.0689999999E-7 2.3899999999E-7 5.3449999999E-7 0.000001195 0.000002673 0.000005976 0.000013359999999 0.00002988 0.00006681 0.0001494 NOCAS_47708 10470544 144212848 F F Igepal CO-890 CC(C)CCCCCCc1ccc(OCCOCCO)cc1 Tox21_302531 -NCGC00091643-08 196718901 tox21-ror-cho-viability-p1 set2 4 48.5577336745 -22.74301974 0.5 -22.24301974 2.7867712143 0.8397769741 0.0030557971 0.03222308 -1.64097354 0.18100132 -0.2318276 -3.23288919 3.75681594 0.63026374 5.52903093 -1.02601152 -2.13213958 3.44613458 -1.25729994 -0.63052329 -8.74948807 -18.95251645 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00256741-01 196718931 tox21-ror-cho-viability-p1 set2 4 1.20400301 2.06825531 1.35604492 -0.20634269 -0.00695335 -10.96485357 -1.18897598 -1.86710966 1.64004907 -0.45203618 1.80059346 2.84237309 1.32023621 3.93400097 2.25363552 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 432-25-7 9895 144212841 F F beta-Cyclocitral CC=1CCCC(C)(C)C=1C=O Tox21_302524 -NCGC00256884-01 196718517 tox21-ror-cho-viability-p1 set2 4 0.53217945 2.54132184 3.63245195 -0.61648085 4.84783337 0.31587045 3.06903958 5.13708583 4.51673523 3.06076028 1.95348795 6.62143182 4.14714003 3.24917438 3.69134243 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26807-65-8 3702 144213004 A A Indapamide NS(=O)(=O)c1cc(ccc1Cl)C(=O)NN2c3ccccc3CC2C Tox21_302687 -NCGC00256446-01 196718531 tox21-ror-cho-viability-p1 set2 4 -0.14586489 -0.31576215 1.15105705 1.0382735 -0.45889485 -0.9465248 -1.060396 -8.41220057 -1.03371096 -5.6453261 -5.37159152 3.8101607 0.90396547 0.10704683 1.1149994 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-06-5 6466 144213340 A A Gibberellic acid O=C(O)[C@H]3[C@@H]5[C@]1(C)C(=O)O[C@]5(C=C[C@@H]1O)[C@@H]4CC[C@]2(O)C[C@]34CC2=C Tox21_303023 -NCGC00256682-01 196718925 tox21-ror-cho-viability-p1 set2 4 -3.03462413 -1.72769704 -0.39074129 -3.65826246 -8.54809011 -6.68944239 -3.6342736 0.24465785 -4.1514708 -0.87591695 -1.08865686 -1.41041884 -1.11700809 -1.03593153 1.31276656 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47140 57483158 144212796 D Isopropyl citrate (Mixture) OC(CC(=O)O)(CC(=O)O)C(=O)OC(C)C Tox21_302479 -NCGC00257417-01 196718935 tox21-ror-cho-viability-p1 set2 4 -1.16684205 0.35439332 0.10867328 4.11325312 -0.30676529 7.96606618 2.98239596 6.32346383 4.2425799 8.77179398 0.87603506 7.52206452 1.83527244 2.5410718 2.69140631 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 480-63-7 10194 144213763 A A 2,4,6-Trimethylbenzoic acid Cc1cc(C)cc(C)c1C(O)=O Tox21_303453 -NCGC00256335-01 196718944 tox21-ror-cho-viability-p1 set2 4 -2.9340821 2.69360952 2.73533213 -5.02981533 1.37596209 -6.66593323 -6.80096985 -7.33676063 0.0460716 -4.35515274 -1.71759085 -5.60579656 -5.82217036 0.89790094 -3.19093814 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-80-4 7206 144213074 A A 2,4-D 1-butyl ester Clc1cc(Cl)ccc1OCC(=O)OCCCC Tox21_302757 -NCGC00256992-01 196719368 tox21-ror-cho-viability-p1 set2 4 -3.50308775 -1.80573151 -2.9231286 -0.71124574 -4.85069439 -2.93802667 -13.0665693 -2.31800849 -1.13988469 -2.00305931 -1.91348606 -2.08172839 -1.87000562 -2.90943442 3.45735357 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 993-16-8 101940 144213490 Ac Trichloromethylstannane C[Sn](Cl)(Cl)Cl Tox21_303173 -NCGC00164375-03 196704233 tox21-ror-cho-viability-p1 set1 4 -4.51235221 0.67673767 1.05214274 -0.01974547 0.69389617 1.43782541 0.03672249 1.84861335 0.29688834 -0.27798088 -0.2571659 3.66118644 2.71315662 1.44002463 0.59383288 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 770-35-4 92839 170465645 F 1-Phenoxy-2-propanol CC(O)COc1ccccc1 Tox21_112108_1 -NCGC00257839-01 196701686 tox21-ror-cho-viability-p1 set1 4 -0.96206117 -1.10653395 -3.13591359 -2.08256262 -8.47768155 -1.43276122 -5.61324595 -2.41569026 0.18166591 -1.30875535 -0.33576255 -0.9188502 -0.15204746 -2.79897305 0.28701776 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004129 0.000092319999999 100-27-6 7494 144207483 A A 2-(4-Nitrophenyl)ethanol O=[N+]([O-])c1ccc(CCO)cc1 Tox21_200285 -NCGC00257917-01 196701689 tox21-ror-cho-viability-p1 set1 4 -4.14793924 -1.3716155 -7.32997163 -2.24424671 -8.56937606 -1.17333323 -13.8135953 -7.85456942 -6.83718313 -7.72247249 -6.1903673 -4.38295569 -9.79746033 -4.34705402 -3.24774433 1.157E-9 2.5879999999E-9 5.786E-9 1.2939999999E-8 2.8929999999E-8 6.4689999999E-8 1.446E-7 3.234E-7 7.2319999999E-7 0.000001617 0.0000036159999999 0.000008086 0.000018079999999 0.00004043 0.00009041 78-94-4 6570 144207561 FNS Methyl vinyl ketone C=CC(C)=O Tox21_200363 -NCGC00258548-01 196701690 tox21-ror-cho-viability-p1 set1 -2.2 29.1484665553 -43.419596198 -5.877983452 -49.29757965 0.6 0.7317353618 0.0253916486 -12.23442765 -1.56498621 -13.48302001 -18.41864605 -5.10193007 -3.33347972 -6.61426713 -7.30563394 -12.83731184 -13.86418332 -18.69305389 -13.26189835 -28.20541233 -26.17181736 -37.34665125 1.132E-9 2.532E-9 5.661E-9 1.2659999999E-8 2.83E-8 6.3289999999E-8 1.415E-7 3.165E-7 7.076E-7 0.000001582 0.000003538 0.000007911 0.00001769 0.00003956 0.00008845 27503-81-7 33919 144208193 A A Ensulizole O=S(=O)(O)c1cc2nc(nc2cc1)c3ccccc3 Tox21_200995 -NCGC00163818-04 196703801 tox21-ror-cho-viability-p1 set1 -1.2 1.8373979259 -39.2821414173 1.790081669 -37.4920597483 2.4063783767 0.9746817047 1.845E-7 2.89895011 -2.25149588 4.39090389 -0.66559192 -0.74249998 1.78678625 3.45853043 3.26828297 0.64964238 -21.28007612 -27.01335257 -39.80746273 -35.65944626 -36.79210271 -38.80337402 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00178896-05 196704212 tox21-ror-cho-viability-p1 set1 4 26.6032120037 10.9758936919 -2.4758936919 8.5 2.09374246 0.627296066 0.0799303595 -1.3964599 -0.33059397 -0.08120057 -1.89926154 -2.09828594 -6.0722894 -3.06043487 -2.77723929 -6.22991141 -1.85756118 -2.69400947 -0.23406281 -2.20327037 1.50014552 5.912427 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 76-90-4 6461 170465214 A Mepenzolate bromide [Br-].O=C(OC1CCC[N+](C)(C)C1)C(O)(c2ccccc2)c3ccccc3 Tox21_110367_1 -NCGC00091499-05 196704228 tox21-ror-cho-viability-p1 set1 4 1.32288768 -4.33366666 0.9362838 0.81762058 0.82387053 3.59938333 1.45474977 3.85051953 4.28267239 0.46565554 3.46704709 2.463942 1.19306308 0.46582195 4.30311615 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00091210-02 196704635 tox21-ror-cho-viability-p1 set1 4 2.15500355 0.00660317 -0.60949759 -0.81212935 0.00973487 -1.14184249 0.34132035 0.91828369 0.54701226 3.80660873 0.27074371 3.66842387 -0.4645254 0.66145123 -0.79640287 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00181788-01 196704638 tox21-ror-cho-viability-p1 set1 4 -5.85581249 1.18207459 0.24394106 -0.07273126 0.32817266 -5.46446983 -0.50441282 -4.1275485 -0.08417277 -2.17379933 0.43485497 1.23280696 -0.22923349 0.06014617 0.08504157 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 111696-23-2 5485221 144206472 A B Cefetamet pivoxil HCl Cl.CC=3CS[C@H]2N(C(=O)[C@H]2NC(=O)C(=N\OC)\c1csc(N)n1)C=3C(=O)OCOC(=O)C(C)(C)C Tox21_112919 -NCGC00015989-17 196704642 tox21-ror-cho-viability-p1 set1 4 -0.9169648 0.23521628 -0.51953497 0.4587456 0.05486422 -0.36137179 0.16725378 -0.4321812 -0.31594801 0.11039505 -0.64065729 0.45973632 2.99950447 0.63162726 5.4750749 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-35-1 5426 170465323 A Thalidomide O=C1NC(=O)CCC1N3C(=O)c2ccccc2C3=O Tox21_110275_1 -NCGC00090708-05 196704643 tox21-ror-cho-viability-p1 set1 -1.1 4.3277125691 -74.2897221667 0.1754227499 -74.1142994168 3.5117481694 0.9913659948 3E-10 -0.78953766 1.12260585 -2.92162486 -0.49150085 0.92918803 -0.35289582 0.09954286 -0.12332377 3.97327304 -0.37462579 -27.60489402 -67.49885622 -79.27249946 -75.20100863 -66.08024304 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00255503-01 196710732 tox21-ror-cho-viability-p1 set2 4 -3.92417928 -2.00475905 0.92607104 -0.62172427 -2.15528679 -6.66225438 -6.16873671 -11.15544086 1.24089699 -1.02869527 -1.1463377 1.06312779 0.35102536 -0.34935985 -0.53067431 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4684-94-0 20812 144211920 A A 6-Chloro-2-picolinic acid OC(=O)c1cccc(Cl)n1 Tox21_301603 -NCGC00181002-04 196712763 tox21-ror-cho-viability-p1 set2 -2.1 29.8492948118 -81.370513122 -2.090504338 -83.46101746 4.9549173134 0.986572321 4.7E-9 -3.76151148 -3.47991265 -2.45813889 -5.84154593 -5.52237149 -4.88354038 -0.68812856 -0.3307259 -0.15440106 0.93752883 0.56573806 -0.49184236 -3.33222649 -13.73291397 -74.96751455 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 364782-34-3 156418 170465336 A Cinacalcet hydrochloride Cl.FC(F)(F)c3cccc(CCCN[C@H](C)c2cccc1ccccc12)c3 Tox21_112654_1 -NCGC00018130-09 196712768 tox21-ror-cho-viability-p1 set2 4 1.1890536 0.51245232 1.18747162 -2.37255376 -0.87056146 0.85075974 -0.60301196 -1.10992693 -0.53988719 -1.11546871 -2.33921532 2.46554557 -0.3145541 4.10551743 -0.06934654 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 136-40-3 8691 170465267 A Phenazopyridine hydrochloride Cl.Nc2nc(N)ccc2/N=N/c1ccccc1 Tox21_110829_1 -NCGC00255594-01 196710714 tox21-ror-cho-viability-p1 set2 4 2.81546376 -1.22521558 -0.45557308 0.67666671 -0.95768126 4.73427488 4.07010668 4.11863721 1.33428344 -0.68691973 -2.11573745 -1.59258201 -2.43221317 -0.77781357 3.8910729 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120928-09-8 86356 144211540 F Fc Fenazaquin CC(C)(C)c1ccc(cc1)CCOc3ncnc2ccccc23 Tox21_301223 -NCGC00256128-01 196710728 tox21-ror-cho-viability-p1 set2 4 0.91087362 -0.36527834 -0.52301151 -0.04942542 0.26178393 0.43690397 0.23660198 -0.87474841 -1.55104302 -0.89645691 1.06923112 1.70815343 -0.87272665 1.7681684 -1.35393539 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60875-16-3 109029 144212133 A D 4-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid O=C(O)c1ccc(cc1)N2N=C(C)CC2=O Tox21_301816 -NCGC00255577-01 196710731 tox21-ror-cho-viability-p1 set2 4 3.03712589 2.38507334 -0.78175197 2.72173905 -0.82982159 -0.11139358 2.3274617 2.18175194 -0.01215512 1.34303593 0.39400205 -0.43932466 -1.37486475 0.45025831 0.20240318 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-73-8 7254 144212440 Z Fns 2,4-Dichlorotoluene Clc1cc(Cl)c(C)cc1 Tox21_302123 -NCGC00256007-01 196711141 tox21-ror-cho-viability-p1 set2 4 -4.83311712 -5.70083955 -3.32018748 -6.77120598 -6.83714259 -2.97592399 3.4068648 -2.30293643 -9.77146621 -0.18613883 -3.8850093 -7.69608571 0.02309765 -0.50873421 -0.27981707 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19819-98-8 88267 144212604 A A 2-Methylphenethyl alcohol OCCc1ccccc1C Tox21_302287 -NCGC00255672-01 196711148 tox21-ror-cho-viability-p1 set2 -1.2 6.9241077825 -44.5651682134 -1.850314178 -46.4154823914 3.5117481694 0.9690751733 5.765E-7 0.64482571 -0.79827863 -2.88369488 -0.1667228 -4.79229163 -3.05349664 -0.84761952 -1.16396765 -1.19755839 -4.46530317 -13.2706467 -38.12726171 -52.85831607 -48.83834958 -37.32446469 1.586E-9 3.5449999999E-9 7.9279999999E-9 1.7729999999E-8 3.964E-8 8.863E-8 1.982E-7 4.4319999999E-7 9.91E-7 0.000002216 0.000004955 0.000011079999999 0.00002477 0.0000554 0.0001239 134-30-5 61080 144212693 A A 8-Hydroxyquinoline citrate O=C(O)C(O)(CC(=O)O)CC(=O)O.Oc1cccc2cccnc12 Tox21_302376 -NCGC00258756-01 196711549 tox21-ror-cho-viability-p1 set2 -2.4 49.5470150015 -46.742773704 -4.249343064 -50.992116768 1.1 0.613643268 0.4082156235 -4.58099673 -17.58101011 -7.97227493 -5.49774231 -13.07424215 0 -10.65673476 -9.00217503 -15.6449714 0 -22.44596737 -30.8980436 0 -20.05609918 -42.49343064 1.1999999999E-9 2.684E-9 6.001E-9 1.3419999999E-8 3.0009999999E-8 6.71E-8 1.5E-7 3.355E-7 7.5019999999E-7 0.000001677 0.0000037509999999 0.000008387 0.00001875 0.000041939999999 0.000093769999999 52806-53-8 91649 144208402 A A Hydroxyflutamide O=C(Nc1cc(c(cc1)[N+]([O-])=O)C(F)(F)F)C(C)(C)O Tox21_201204 -NCGC00260082-01 196711550 tox21-ror-cho-viability-p1 set2 -3 69.4973960317 -97.1101083237 -2.326669262 -99.4367775857 4.9549173134 0.9508470944 0.0000076519 1.89377728 1.96766279 0.88463824 -0.34272112 -0.72664677 1.24830677 -10.49371798 -0.6199288 -7.32705693 0.10825971 -12.39264482 -7.12774836 0 -8.54297686 -81.29902983 1.193E-9 2.667E-9 5.963E-9 1.333E-8 2.981E-8 6.6669999999E-8 1.491E-7 3.3329999999E-7 7.4539999999E-7 0.0000016669999999 0.0000037269999999 0.000008333 0.00001863 0.00004167 0.00009317 149845-06-7 60934 144209731 A A Saquinavir mesylate CS(=O)(=O)O.NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN4C[C@H]5CCCC[C@H]5C[C@H]4C(=O)NC(C)(C)C Tox21_202533 -NCGC00356997-01 196711557 tox21-ror-cho-viability-p1 set2 4 -1.44497548 -2.95924968 -3.78559409 -5.21070676 -1.45720792 -23.81179767 -8.96750642 -5.58570961 -11.82603805 -22.21187329 -12.77944798 -34.22469502 -9.41789184 -1.09093423 -2.39711382 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 171118-09-5 6426849 251919736 I Metolachlor ESA O=S(=O)(O)CC(=O)N(C(C)COC)c1c(C)cccc1CC Tox21_303740 -NCGC00260073-01 196711959 tox21-ror-cho-viability-p1 set2 -1.1 5.4316497251 -91.8126435502 6.0327153232 -85.779928227 4.9549173134 0.9556967106 0.0000043162 -0.48152877 1.67779996 0.33047757 0.34596063 -3.82113341 1.44878443 -1.45239088 13.8314614 25.40579076 20.86818576 -1.22219942 -83.71563135 -82.54169845 -84.27994239 -83.79243086 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.0000016459999999 0.00000368 0.000008228 0.000018399999999 0.000041139999999 0.000091989999999 115-09-3 409301 144209722 Methylmercuric(II) chloride C[Hg]Cl Tox21_202524 -NCGC00094532-06 196721043 tox21-ror-cho-viability-p1 set3 4 22.0654597388 14.828125728 -7.828125728 7 1.4487170999 0.3438162577 0.3418968689 -8.84468175 -7.63411869 -8.99353128 4.86008336 -10.41849732 -14.85677144 -9.52659884 -6.10725769 -12.11452336 -4.33828492 -4.72641345 -6.86732232 -1.06537532 3.24330669 -5.2640517 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00254509-01 196720624 tox21-ror-cho-viability-p1 set3 4 31.0121236216 13.7115575081 0.2884424919 14 1.826479391 0.374954526 0.3132337457 2.34732218 -3.08665471 -3.98077765 -1.82239874 -4.34296459 5.86236979 4.15142703 -1.85232934 3.36315869 -2.53335604 1.55224054 6.060404 -0.04066593 11.68974375 2.30980026 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 89-04-3 6960 144210957 AC Fns Trioctyl trimellitate O=C(OCCCCCCCC)c1cc(C(=O)OCCCCCCCC)c(cc1)C(=O)OCCCCCCCC Tox21_300640 -NCGC00253955-01 196720635 tox21-ror-cho-viability-p1 set3 4 0.8634921799 -9.8423738959 0.5 -9.3423738959 2.7202212143 0.3123143803 0.3553965309 -2.99301319 -2.16176242 2.45091375 4.48645311 1.64787667 0.40521136 4.94056101 -10.12839721 5.23059762 -19.03531158 -17.46124405 -6.68298927 5.341371 -16.08578189 -6.22890514 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 838-88-0 13283 144210521 A A 4,4'-Methylenebis(2-methylaniline) Cc2cc(Cc1ccc(N)c(C)c1)ccc2N Tox21_300201 -NCGC00259271-01 196721033 tox21-ror-cho-viability-p1 set3 2.2 43.0571658618 67.0270376894 -3.2765372999 63.7505003895 2.3331733767 0.9687347854 6.137E-7 -2.43473646 -2.47955303 -1.83521521 2.23472975 -0.60751766 -6.29224899 -3.9072274 -6.48044775 -5.75023238 -3.78082153 -3.1878194 -1.20079888 -1.01288984 32.47452192 52.54675962 1.175E-9 2.628E-9 5.877E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.346E-7 0.000001643 0.000003673 0.0000082129999999 0.000018359999999 0.00004107 0.000091819999999 140-64-7 8813 144208920 A A Pentamidine isethionate OCCS(=O)(=O)O.OCCS(=O)(=O)O.N=C(N)c1ccc(cc1)OCCCCCOc2ccc(cc2)C(=N)N Tox21_201722 -NCGC00259262-01 196721048 tox21-ror-cho-viability-p1 set3 4 -5.8569218 -3.70696925 -3.40630412 2.61589464 -4.55308621 -5.15553316 -6.13819181 -6.64676314 -4.75979157 -1.51577339 -6.179902 -5.82496484 -4.08316554 2.50376305 3.26916426 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003667 0.000008201 0.00001834 0.000041 0.00009169 107-46-0 24764 144208911 FNS Hexamethyldisiloxane C[Si](C)(C)O[Si](C)(C)C Tox21_201713 -NCGC00259635-01 196721431 tox21-ror-cho-viability-p1 set3 4 21.3375020771 7.020269004 -4.520269004 2.5 4.9549173134 0.4735453628 0.204350893 -6.51615652 0.02952632 -4.49088421 1.10731057 -4.93354301 -5.92958951 -7.6201052 -8.35022417 -6.21757031 -3.37722632 -6.1700839 -4.2408262 -2.95994096 3.75750073 0.92177209 1.164E-9 2.603E-9 5.8199999999E-9 1.301E-8 2.91E-8 6.507E-8 1.4549999999E-7 3.253E-7 7.275E-7 0.0000016269999999 0.0000036369999999 0.000008134 0.00001819 0.00004067 0.00009094 18328-90-0 87587 144209284 FNS N-Ethyl-2-methyl-2-propen-1-amine C=C(C)CNCC Tox21_202086 -NCGC00164077-02 196721433 tox21-ror-cho-viability-p1 set3 4 -5.06315153 -1.23931497 0.53116556 1.92741219 -6.25827124 -4.49086361 -4.85644838 -2.65012398 -6.69578486 2.58761062 -3.67964592 -2.84199838 -5.43032755 4.92398646 -4.81369348 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-09-3 6051 144213980 A A 4-Aminoazobenzene Nc2ccc(/N=N/c1ccccc1)cc2 Tox21_400019 -NCGC00259572-01 196721435 tox21-ror-cho-viability-p1 set3 4 27.5283213152 9.0930883119 -5.0930883119 4 4.0949729863 0.3449782034 0.3256010012 -7.87395995 -3.30894292 0.76637165 6.35293934 -7.81435741 -7.20996495 -7.99424026 -7.40236159 -4.67706786 -5.47811776 -7.65579608 -6.96898538 -3.0216655 2.1043057 4.03342043 1.188E-9 2.657E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016599999999 0.000003713 0.000008302 0.00001856 0.000041509999999 0.00009282 96-18-4 7285 144209221 A A 1,2,3-Trichloropropane ClCC(Cl)CCl Tox21_202023 -NCGC00259202-01 196721450 tox21-ror-cho-viability-p1 set3 -2.1 62.6880060604 -75.8794225541 -0.3153708929 -76.194793447 4.5044702849 0.9843744184 1.13E-8 -2.6601139 2.12606027 2.52292048 -5.96383261 0.46525501 -1.27115161 0.21876026 0.17775952 0.70709058 -1.06690634 -2.15725699 1.72528792 -0.70117296 -10.52721379 -65.63078845 1.2049999999E-9 2.695E-9 6.0249999999E-9 1.347E-8 3.013E-8 6.737E-8 1.506E-7 3.368E-7 7.5319999999E-7 0.0000016839999999 0.000003766 0.000008421 0.000018829999999 0.0000421 0.00009415 34590-94-8 22833331 144208851 A F Dipropylene glycol monomethyl ether COCCCOC(O)CC Tox21_201653 -NCGC00259245-01 196721833 tox21-ror-cho-viability-p1 set3 4 0.6879893154 5.380768612 -5.880768612 -0.5 3.0654483358 0.3538569523 0.3173378254 -5.5792769 -0.21941364 -6.77715262 -11.09945042 -2.09566049 -2.65339048 -13.65064051 -3.63025174 -3.68324952 0.5104857 -3.13823785 -0.70801044 -3.00304291 3.87255176 0.71063197 1.183E-9 2.645E-9 5.913E-9 1.322E-8 2.9569999999E-8 6.611E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.0000082639999999 0.00001848 0.00004132 0.0000924 5131-60-2 21209 144208894 A B 4-Chloro-1,3-diaminobenzene Nc1ccc(Cl)c(N)c1 Tox21_201696 -NCGC00259987-01 196721842 tox21-ror-cho-viability-p1 set3 4 68.938530308 -15.32695486 -4.042883536 -19.369838396 1.331 0.8691396262 0.0012394387 -4.90377422 -3.03311559 -2.53573628 -4.5661739 -5.26741624 -3.99251225 -3.56273274 -3.9520728 -4.05770674 -3.2938411 -5.52669414 -4.98784982 -7.04413467 -6.98611892 -14.47486533 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.625E-8 1.481E-7 3.3129999999E-7 7.407E-7 0.000001656 0.000003704 0.000008281 0.00001852 0.000041409999999 0.000092589999999 1836-75-5 15787 144209636 A A Nitrofen Clc2cc(Cl)ccc2Oc1ccc(cc1)[N+]([O-])=O Tox21_202438 -NCGC00259841-01 196721845 tox21-ror-cho-viability-p1 set3 4 -2.06736993 1.00396352 -3.4748003 5.88117509 -1.97248974 -2.38192381 -1.77154662 -2.38070059 -2.47995541 2.45668626 -2.70569196 0.93114974 -0.0545079 5.58843134 3.80830592 1.1679999999E-9 2.6109999999E-9 5.8389999999E-9 1.3059999999E-8 2.92E-8 6.528E-8 1.4599999999E-7 3.264E-7 7.299E-7 0.0000016319999999 0.0000036489999999 0.00000816 0.00001825 0.000040799999999 0.000091239999999 75-62-7 6383 144209490 Bromotrichloromethane BrC(Cl)(Cl)Cl Tox21_202292 -NCGC00166024-02 196725362 tox21-ror-cho-viability-p1 set3 1.2 0.003349146 27.9677202119 -3.6190235 24.3486967119 1.752947691 0.7974432229 0.0083806103 -1.34918625 -0.80910042 11.32380151 13.67507439 27.86676926 21.94364812 23.15304816 21.03506261 22.92792135 20.5585653 21.33010884 21.00593657 20.58514215 33.91449452 33.30846312 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 143-27-1 8926 170466140 Z Hexadecylamine CCCCCCCCCCCCCCCCN Tox21_112293_1 -NCGC00356982-01 196724948 tox21-ror-cho-viability-p1 set3 4 0.3437624285 -5.501364024 1 -4.501364024 3.9899729863 0.4904546884 0.205202455 -7.08447002 3.69979587 1.35353445 2.66868134 5.11125593 -1.22206191 3.93655088 -1.55885014 -4.37697789 -4.84961246 -5.79246373 -4.22151839 -3.93874487 -3.91860886 -1.27214585 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89415-87-2 62299 251919730 F 1,3-Dichloro-5-ethyl-5-methylhydantoin CC1(CC)C(=O)N(Cl)C(=O)N1Cl Tox21_303928 -NCGC00260600-01 196724951 tox21-ror-cho-viability-p1 set3 4 0.0105909295 10.049082836 -7.549082836 2.5 4.9549173134 0.6325812733 0.0749813697 -8.11331205 -2.38498472 -12.95756903 -6.85832838 1.2917745 -0.86633581 3.82638742 3.67831319 2.43048619 3.421313 3.75555137 3.33420631 10.37421515 -2.23201445 -1.52802546 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49496 144210253 M M NTP Mix3 AR1 8-EQC Tox21_203055 -NCGC00274278-01 196725355 tox21-ror-cho-viability-p1 set3 4 0.65455029 -5.53155746 6.98359021 -1.08713708 -0.48653727 -0.78297742 -3.33592722 -6.69393789 -9.60417866 -5.7550024 -0.9500696 0.67061305 -0.91116469 0.62691591 -1.9215326 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13445-60-8 26762 170466352 A B Furfenorex CN(Cc1ccco1)C(C)Cc2ccccc2 Tox21_113981 -NCGC00091238-03 196725761 tox21-ror-cho-viability-p1 set3 4 12.9900172293 -29.867358276 -3 -32.867358276 2.7202212143 0.6672069728 0.0543010073 3.55875571 -0.83849953 -10.21460566 -0.57525279 -13.26979615 -0.37759624 -10.75599202 -1.537175 -1.98934094 -2.56746434 -0.89999593 1.62869716 -3.02145689 -14.61796023 -27.38946523 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 120-78-5 8447 170465723 F 2,2'-Dithiobisbenzothiazole c1cccc2sc(nc12)SSc3nc4ccccc4s3 Tox21_111106_1 -NCGC00262940-01 196725765 tox21-ror-cho-viability-p1 set3 4 1.39918948 10.61593255 0.23713206 2.96262156 1.27335953 1.52313535 6.22268697 3.64939005 3.23867981 -1.92906141 2.03708988 -0.49177703 5.39268749 5.74958681 10.94724509 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 31127-82-9 35740 170465432 F A Iodoxamic Acid O=C(Nc1c(I)c(c(I)cc1I)C(=O)O)CCOCCOCCOCCOCCC(=O)Nc2c(I)c(C(=O)O)c(I)cc2I Tox21_113933 -NCGC00160668-03 196725773 tox21-ror-cho-viability-p1 set3 4 -2.22153703 -1.69830366 10.47382314 -8.83280868 7.61461356 -0.76032079 3.87788073 8.807765 1.1667477 -3.62389669 -1.12498849 10.17145969 0.23376238 14.61895 4.04876646 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127-77-5 31390 170466378 A Sulfabenz Nc1ccc(cc1)S(=O)(=O)Nc2ccccc2 Tox21_111972_1 -NCGC00257317-01 196707131 tox21-ror-cho-viability-p1 set1 4 -12.67427718 -10.95816428 -18.84561355 -17.0357579 -19.24501672 -16.99073895 -23.56930634 -20.67524216 -22.20889954 -16.46574324 -11.37907093 -11.18876944 -21.59959809 -19.45937116 -19.07320598 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1470-79-7 73852 144213797 A A 2,4,4'-Trihydroxybenzophenone O=C(c1ccc(O)cc1O)c2ccc(O)cc2 Tox21_303488 -NCGC00259747-01 196706719 tox21-ror-cho-viability-p1 set1 4 -11.35014494 -5.70293319 -9.20358841 -12.87312709 -5.08374162 -5.14677626 -5.86146953 -10.30385076 -7.59926682 -9.77467665 0.25701158 -10.82841378 -3.55478147 -10.79736518 -7.49330153 1.1779999999E-9 2.635E-9 5.891E-9 1.3169999999E-8 2.9459999999E-8 6.587E-8 1.4729999999E-7 3.2929999999E-7 7.364E-7 0.0000016469999999 0.0000036819999999 0.000008233 0.000018409999999 0.00004117 0.000092049999999 59-88-1 60962 144209396 F Phenylhydrazine hydrochloride Cl.NNc1ccccc1 Tox21_202198 -NCGC00256809-01 196707537 tox21-ror-cho-viability-p1 set1 4 0.0225974168 4.9956322759 -3.4956322759 1.5 4.9549173134 0.3212584995 0.3490378582 -3.07309982 -5.19508524 1.54723923 -7.49636023 1.93774036 -0.38322069 5.80198602 2.9853928 -0.22384045 -0.29364376 -3.21554818 3.12772639 -0.16692478 0.00435212 8.54551016 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.052E-8 6.825E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 4312-99-6 61346 144213027 Fns 1-Octen-3-one C=CC(=O)CCCCC Tox21_302710 -NCGC00258325-01 196702174 tox21-ror-cho-viability-p1 set1 -2.1 45.3123530103 -74.1562935381 1.510157609 -72.6461359291 3.9294729863 0.9891482022 1.3E-9 0.27644197 2.66120799 3.65033287 3.26093012 -1.0797832 -1.38329258 2.10858565 5.0149876 0.00267895 0.4738027 1.57855297 -0.78326316 0.26734848 -19.47184902 -64.88343631 1.012E-9 2.262E-9 5.058E-9 1.131E-8 2.529E-8 5.655E-8 1.264E-7 2.827E-7 6.322E-7 0.000001414 0.000003161 0.0000070679999999 0.00001581 0.00003534 0.00007903 24169-02-6 68589 144207969 A A Econazole nitrate [O-][N+](=O)O.Clc3ccc(C(OCc1ccc(Cl)cc1)Cn2ccnc2)c(Cl)c3 Tox21_200771 -NCGC00257887-01 196701760 tox21-ror-cho-viability-p1 set1 4 0.3763131555 -11.119293284 -6.640057596 -17.75935088 0.4 0.8358370196 0.0034643257 -9.09135261 -7.29677438 -8.45684083 -5.53338133 -11.86955311 -11.34160753 -11.46795274 -12.51411082 -10.90165234 -13.13680194 -15.11614236 -15.57211865 -16.8779464 -15.25882893 -16.8827924 1.156E-9 2.585E-9 5.779E-9 1.292E-8 2.8899999999E-8 6.461E-8 1.4449999999E-7 3.231E-7 7.224E-7 0.000001615 0.000003612 0.0000080769999999 0.000018059999999 0.00004038 0.0000903 578-46-1 11356 144207531 A A 5-Methyl-2-nitroaniline O=[N+]([O-])c1ccc(C)cc1N Tox21_200333 -NCGC00258446-01 196702164 tox21-ror-cho-viability-p1 set1 4 17.299041594 -13.313367704 -0.5 -13.813367704 0.4 0.4136032208 0.2598470809 3.84350711 -3.75680536 -3.10608925 0.33116206 0.51308287 -6.95646019 1.63072157 -8.34372698 -0.10971449 -6.32716563 0.69084705 -6.56578661 -8.38801545 -10.67780642 -8.22896547 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.324E-8 2.959E-8 6.618E-8 1.4799999999E-7 3.309E-7 7.399E-7 0.0000016539999999 0.0000036989999999 0.000008272 0.0000185 0.00004136 0.00009248 31127-54-5 919792 144208090 A A 2,3,4,4'-Tetrahydroxybenzophenone Oc2ccc(C(=O)c1ccc(O)cc1)c(O)c2O Tox21_200892 -NCGC00257953-01 196702168 tox21-ror-cho-viability-p1 set1 4 -3.30326318 -1.83585411 -8.04886175 -7.31757576 0.4075808 1.16843021 -13.86887867 -2.41537811 -1.2823909 -10.51960691 -12.49656473 -1.95323064 -1.94602659 -11.70454931 -0.64959682 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008241 0.000018429999999 0.00004121 0.00009214 106-46-7 4685 144207597 AC A 1,4-Dichlorobenzene Clc1ccc(Cl)cc1 Tox21_200399 -NCGC00258530-01 196702176 tox21-ror-cho-viability-p1 set1 4 3.8022289183 -10.431827208 -5.523500768 -15.955327976 0.3 0.3648953379 0.3079517095 -8.82208752 -6.62502752 -5.30927896 -3.86557957 -13.96768076 -2.93625064 -10.87569729 -9.20607272 -7.12938098 -12.49786221 -10.4175071 -10.85945405 -12.02983098 -9.95662069 -15.37943998 1.166E-9 2.6069999999E-9 5.8279999999E-9 1.303E-8 2.9139999999E-8 6.516E-8 1.457E-7 3.2579999999E-7 7.286E-7 0.000001629 0.0000036429999999 0.0000081449999999 0.00001821 0.00004073 0.00009107 2524-04-1 17305 144208175 AC A O,O-Diethyl chlorothiophosphate ClP(=S)(OCC)OCC Tox21_200977 -NCGC00163903-03 196702179 tox21-ror-cho-viability-p1 set1 4 22.9977616018 10.2889225119 -1.7889225119 8.5 4.9549173134 0.7612005818 0.0165116154 -2.1105161 -2.06910642 -2.98905515 -1.74262515 -1.69208029 -1.12996926 0.56515417 0.15817589 0.25260442 -7.74076876 -0.09333804 -3.80093558 1.24730062 8.09038267 8.82757548 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00258001-01 196702572 tox21-ror-cho-viability-p1 set1 4 1.17602467 3.59687204 1.82241096 0.41982023 3.02457288 0.45216748 3.11293128 2.20314317 -1.06062288 1.81440614 -0.26227605 3.77989131 2.29890522 0.74580787 2.97839099 1.2009999999E-9 2.686E-9 6.007E-9 1.3429999999E-8 3.0039999999E-8 6.716E-8 1.5019999999E-7 3.358E-7 7.509E-7 0.000001679 0.000003754 0.0000083949999999 0.000018769999999 0.000041979999999 0.00009386 547-64-8 11040 144207645 A A Methyl 2-hydroxypropanoate CC(O)C(=O)OC Tox21_200447 -NCGC00257985-01 196702575 tox21-ror-cho-viability-p1 set1 4 0.0280853811 5.357466768 -2.857466768 2.5 4.9549173134 0.5400128823 0.1620146552 -5.71455564 0.00513657 0.59504022 -5.469963 0.48633468 5.91176564 -0.33130165 2.08976913 3.10049726 2.47831588 1.09720152 2.59969523 1.47995264 4.41767635 -4.47873208 1.208E-9 2.7009999999E-9 6.0389999999E-9 1.3499999999E-8 3.02E-8 6.752E-8 1.51E-7 3.376E-7 7.549E-7 0.0000016879999999 0.0000037739999999 0.0000084399999999 0.00001887 0.0000422 0.00009436 98-88-4 7412 144207629 Z Benzoyl chloride ClC(=O)c1ccccc1 Tox21_200431 -NCGC00258615-01 196702581 tox21-ror-cho-viability-p1 set1 4 -0.36064871 -1.51350562 0.59815718 4.69639495 1.0969519 1.20180376 6.59302205 1.22342727 -0.923154 2.83266182 1.47299553 0.93796816 0.92281466 -1.32487006 2.96777378 1.1609999999E-9 2.5959999999E-9 5.805E-9 1.298E-8 2.9019999999E-8 6.4899999999E-8 1.451E-7 3.245E-7 7.256E-7 0.000001622 0.000003628 0.000008112 0.00001814 0.00004056 0.0000907 17540-75-9 86583 144208260 A A 4-(Butan-2-yl)-2,6-di-tert-butylphenol CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(C)CC Tox21_201062 -NCGC00255197-01 196711162 tox21-ror-cho-viability-p1 set2 4 -4.49555155 -3.66238553 -2.32710041 -4.105244 -6.13001718 -6.27527471 -4.47052398 -5.55885006 -1.32459327 0.15445468 -0.51135714 -0.06904011 0.06891629 -1.14365269 -17.11558677 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58-72-0 6025 144212742 A F Triphenylethylene C(/c1ccccc1)=C(/c2ccccc2)c3ccccc3 Tox21_302425 -NCGC00255644-01 196710341 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -98.6749283817 1.131801591 -97.5431267907 4.9549173134 0.9869043879 4E-9 3.29106025 4.67950251 4.33679176 0.07641258 0.29495901 3.16044851 0.24301388 0.21705711 0.37446183 2.10340719 -4.55874117 -1.97986958 0.84631826 -5.70957135 -79.00248158 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2026-24-6 62418 144212616 A A Dehydroabietylamine acetate CC(=O)O.CC(C)c2cc3CC[C@@H]1[C@](C)(CCC[C@@]1(C)CN)c3cc2 Tox21_302299 -NCGC00255289-01 196710734 tox21-ror-cho-viability-p1 set2 -2.1 61.8773215692 -83.3336178692 0.1779177909 -83.1557000783 2.9022712143 0.9882565479 2.1E-9 4.08771597 -0.93890932 -0.03413344 0.65045589 0.03327926 -1.67573255 1.69966956 1.53537627 0.40819864 -1.56364555 -0.80879877 0.81100545 -6.24492024 -18.28749006 -64.13310612 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 148081-72-5 119193 144211562 A A 1-O-Hexyl-2,3,5-trimethylhydroquinone Cc1cc(OCCCCCC)c(C)c(C)c1O Tox21_301245 -NCGC00255847-01 196710739 tox21-ror-cho-viability-p1 set2 4 0.11857474 -1.12813616 -1.64271051 1.91875675 0.6406964 2.72673189 2.85741183 3.28989596 -1.82320702 1.99541137 2.5531849 -0.61850814 2.65425531 -0.05047045 0.5748078 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2173-56-0 62433 144212529 A C Pentyl valerate O=C(CCCC)OCCCCC Tox21_302212 -NCGC00168342-02 196711169 tox21-ror-cho-viability-p1 set2 4 0.10583255 4.56560831 2.80712425 3.27556899 3.60021535 -0.26646492 0.67138717 -0.3083179 -0.10760708 0.34165953 2.18885091 -0.04956614 -0.51112559 -0.60133051 -0.60199055 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00260345-01 196711590 tox21-ror-cho-viability-p1 set2 -2.4 3.5628196187 -38.322703384 -1 -39.322703384 0.4 0.341210011 0.5088868213 -0.56013928 0 -5.26535234 -5.1405156 -1.92862903 -3.37331956 0 -8.66752042 -0.16734704 -0.90413693 -31.10225282 -8.39411859 0 -2.1322187 -26.61815323 6.211E-11 1.3889999999E-10 3.106E-10 6.9439999999E-10 1.553E-9 3.4719999999E-9 7.764E-9 1.736E-8 3.882E-8 8.68E-8 1.941E-7 4.34E-7 9.705E-7 0.00000217 0.000004853 10377-48-7 66320 144209997 Lithium sulfate [Li+].[Li+].[O-]S([O-])(=O)=O Tox21_202799 -NCGC00260603-01 196711987 tox21-ror-cho-viability-p1 set2 4 37.5780357627 -27.24168746 -3.5 -30.74168746 4.9549173134 0.6056514296 0.0928423649 -0.55564401 0.88312521 -0.61007733 0.43035771 -0.44186559 0.09072556 -8.97105639 -11.4154198 -8.85904889 0.74263619 -8.03078155 -3.69736263 -8.16058678 2.89259847 -27.28473955 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49499 144210256 M M NTP Mix6 AR1 8-EQC Tox21_203058 -NCGC00356949-01 196711991 tox21-ror-cho-viability-p1 set2 -3 15.3553036427 -51.0775599218 -4.217006689 -55.2945666108 3.0654483358 0.6432563325 0.0943011096 -0.03332916 -0.29227912 0.23205189 -11.6047621 0.2802437 -2.00617409 -7.28917991 -10.76234272 -22.01438757 -0.08734687 -2.5901614 -1.31031992 -41.88982319 -20.84987784 -9.32749304 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-44-4 7091 251919777 A 2,3-Dihydroxynaphthalene Oc1cc2ccccc2cc1O Tox21_303850 -NCGC00260091-01 196712001 tox21-ror-cho-viability-p1 set2 4 -11.3485187 -10.82845189 -3.05862135 -68.76342689 -28.31669225 -0.08020871 0 0 -18.89883026 -11.47949648 0 -6.4889384 -0.31422117 -16.66781389 -17.30505673 1.171E-9 2.617E-9 5.8529999999E-9 1.3089999999E-8 2.926E-8 6.543E-8 1.463E-7 3.2719999999E-7 7.316E-7 0.0000016359999999 0.000003658 0.0000081789999999 0.00001829 0.0000409 0.00009145 1271-19-8 5284468 144209740 Fns Titanocene dichloride [Cl-].[Cl-].C=2CC([Ti+2]C1=CC=CC1)=CC=2 Tox21_202542 -NCGC00357256-01 196712008 tox21-ror-cho-viability-p1 set2 2.4 68.5896218971 34.126731652 -0.126731652 34 3.6772481694 0.9528530721 0.0000061326 -2.60560971 1.95670592 -1.72503839 0.12977931 -0.28206445 0.24134436 -1.34958786 2.55700361 -0.09445075 -1.37785044 -0.40764544 0.4389957 2.754674 4.17170139 25.85389873 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 626-48-2 12283 251919929 A 6-Methyluracil O=C1C=C(C)NC(=O)N1 Tox21_304049 -NCGC00256082-01 196709938 tox21-ror-cho-viability-p1 set2 4 0.0013685429 9.3006222599 -10.3006222599 -1 4.9549173134 0.4080721422 0.2684666182 -7.75051855 0.30385297 -2.89238165 -0.03049508 -0.05352009 -3.71107676 -0.30028756 -6.04419635 0.27671235 -2.01724592 -0.6819891 -0.41276676 2.50897766 1.14254574 0.60102852 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52196-74-4 40273 144211801 A A 2-Chloro-1,4-diethoxybenzene Clc1cc(ccc1OCC)OCC Tox21_301484 -NCGC00258939-01 196709534 tox21-ror-cho-viability-p1 set2 4 3.8781667 1.32622218 2.29093012 3.41655358 2.2273828 0.72032553 -3.18658075 2.45520472 -0.13345893 1.07669152 1.47393708 1.75272311 5.08082318 3.06006382 4.09717955 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.953E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008253 0.000018449999999 0.00004127 0.00009227 81-20-9 6672 144208586 A A 1,3-Dimethyl-2-nitrobenzene Cc1cccc(C)c1[N+](=O)[O-] Tox21_201388 -NCGC00022579-05 196723092 tox21-ror-cho-viability-p1 set3 2.4 33.4914596268 33.655627408 2.344372592 36 3.0654483358 0.8955427685 0.0004022293 2.65843163 4.29630827 -0.96302284 3.37854367 0 0.98551749 -0.89774635 1.59514667 4.46497074 4.49459105 5.3806904 2.01845035 6.286691 6.51849308 27.66615662 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4800-94-6 20933 170465106 F Carbenicillin disodium [Na+].[Na+].O=C([O-])[C@@H]2N3C(=O)[C@@H](NC(=O)C(c1ccccc1)C([O-])=O)[C@H]3SC2(C)C Tox21_111304_1 -NCGC00015257-14 196723084 tox21-ror-cho-viability-p1 set3 4 0.0334914596 -32.4402535167 54.9136142257 22.473360709 2.4063783767 0.8685378206 0.0012177277 42.11783605 56.52243313 58.06673519 63.99181311 48.43078407 41.67575396 24.23023663 18.95170482 25.06910516 20.69947625 19.81604434 17.41394408 23.57048542 22.0640135 33.62430687 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 637-07-0 2796 170465329 F Clofibrate Clc1ccc(OC(C)(C)C(=O)OCC)cc1 Tox21_110116_1 -NCGC00168748-02 196723085 tox21-ror-cho-viability-p1 set3 4 0.5308038637 -12.3550475079 -0.5 -12.8550475079 1.826479391 0.860967117 0.0025366563 -1.33683715 -2.75407362 -0.20023589 -0.62282983 -1.99241923 2.10923909 0.20158797 0.13796033 -3.59764175 -12.30017643 -10.84901946 -8.83708604 -16.96253959 -11.81225006 -2.55922435 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 99755-59-6 59227 170465204 A Rotigotine Oc2cccc1C[C@H](CCc12)N(CCC)CCc3cccs3 Tox21_112627_1 -NCGC00018213-06 196723089 tox21-ror-cho-viability-p1 set3 4 0.39557672 3.96613331 0.82105058 -2.21558092 11.21869447 5.4702376 -2.6739094 10.63770185 -0.07429052 -6.51827616 -2.07551643 7.02357459 -5.50169906 3.24309494 15.31289432 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5870-29-1 22162 170464720 A Cyclopentolate hydrochloride Cl.OC1(CCCC1)C(C(=O)OCCN(C)C)c2ccccc2 Tox21_110550_1 -NCGC00164168-02 196723102 tox21-ror-cho-viability-p1 set3 4 10.2130555008 -11.476877128 2 -9.476877128 1.4641 0.4310668772 0.2423111471 0.21439054 -3.6155341 -2.81262192 2.12306171 10.19329323 9.34898888 8.60627159 -5.05797537 -1.18904956 1.94633283 -0.02258643 -0.39531086 -9.98073094 -5.48764737 -9.72856643 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00090910-03 196723500 tox21-ror-cho-viability-p1 set3 4 0.0000032042 38.36910533 28.14101381 36.26160531 35.70989947 39.94982334 36.78925955 36.67535402 15.87705809 -5.02678415 -1.63412951 -3.25506211 -5.99973568 -6.56726933 -5.42642629 6.09823502 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00016925-11 196723510 tox21-ror-cho-viability-p1 set3 4 0.0000351171 -49.57815799 -50.11118251 -45.25744132 -43.20128384 -33.81467102 -47.6608036 -40.1805452 -37.50870769 -9.37150546 -8.34523538 -2.95620347 -2.19097555 -4.81320236 -0.63413282 12.67250742 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 73590-58-6 4594 170465443 A Omeprazole Cc3c(OC)c(C)cnc3CS(=O)c1nc2cc(ccc2n1)OC Tox21_110686_1 -NCGC00095255-08 196723514 tox21-ror-cho-viability-p1 set3 4 37.5780357627 -19.013465604 5.5 -13.513465604 4.9549173134 0.4176002565 0.255295276 11.21331824 -0.50621502 5.36846099 6.59660376 9.32230378 -1.92998423 8.84465415 10.17423927 6.27138286 0.13829073 2.34096051 1.42555555 4.25267697 11.03940294 -9.59455467 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52225-20-4 86472 170465444 F dl-alpha-Tocopheryl acetate CC(=O)Oc2c(C)c(C)c1O[C@@](C)(CCc1c2C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C Tox21_113467_1 -NCGC00094721-07 196723516 tox21-ror-cho-viability-p1 set3 4 7.4978038628 11.842225348 0.657774652 12.5 0.5 0.5208744381 0.16141846 3.69588527 0.29955306 0.53954956 0.65731719 1.36108632 0.56280537 -0.28518779 0.05229016 5.77993134 3.56689228 10.5340378 -0.09659319 5.88721782 9.5547179 9.01735504 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60-56-0 1349907 170464856 A Methimazole S=C1NC=CN1C Tox21_110341_1 -NCGC00159417-06 196723521 tox21-ror-cho-viability-p1 set3 -2.1 55.7594848687 -131.537589739 3.6335608152 -127.9040289238 3.2474983358 0.9748126256 1.79E-7 1.72886409 -0.3364049 3.61551003 -0.13505803 7.62574208 0.65685351 3.31601666 -1.91386788 9.9440534 13.45536983 8.21167541 -4.68406914 1.16910892 -32.69765129 -107.66332401 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00259957-01 196721092 tox21-ror-cho-viability-p1 set3 4 21.9107051025 8.1111415519 -5.1111415519 3 4.5044702849 0.5402359052 0.1449158935 -7.59261796 -5.65872055 -3.93003621 3.55775823 -5.36159578 -6.35057177 -6.23831494 -6.10490482 -6.9235666 -3.99094982 -5.59107826 -4.63429566 -2.19832777 2.92964136 2.95017669 1.19E-9 2.66E-9 5.949E-9 1.3299999999E-8 2.975E-8 6.6509999999E-8 1.487E-7 3.326E-7 7.436E-7 0.000001663 0.000003718 0.000008314 0.00001859 0.00004157 0.00009295 107-88-0 7896 144209606 A A 1,3-Butanediol CC(O)CCO Tox21_202408 -NCGC00259601-01 196721077 tox21-ror-cho-viability-p1 set3 4 -5.02801437 -0.44979417 1.00455695 6.74404209 -2.74473203 -5.55389072 -3.87926844 -4.33305624 -4.94722238 -1.95945604 -3.60334033 -4.25594211 -4.698964 -0.28024005 4.15628696 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 77-06-5 6466 144209250 A A Gibberellic acid O=C(O)[C@H]3[C@@H]5[C@]1(C)C(=O)O[C@]5(C=C[C@@H]1O)[C@@H]4CC[C@]2(O)C[C@]34CC2=C Tox21_202052 -NCGC00255017-01 196720091 tox21-ror-cho-viability-p1 set3 -3 27.3060203028 -51.2466534144 5.5 -45.7466534144 4.9549173134 0.8411675509 0.0044082394 0.62830545 0.43194401 12.09405835 14.59203251 -2.46437633 8.79251506 -1.8306708 -1.4813108 9.82425341 7.62877879 10.17353042 7.06734292 2.69224747 -45.65281742 0.6835673 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55406-53-6 62097 144211434 A A 3-Iodo-2-propynyl-N-butylcarbamate O=C(NCCCC)OCC#CI Tox21_301117 -NCGC00254051-01 196719666 tox21-ror-cho-viability-p1 set3 4 0.273060203 16.46328612 -11.96328612 4.5 0.9999999999 0.8440871463 0.002692225 -11.33583646 -11.84138608 -14.9694051 -12.36671155 -2.46431429 -12.50729051 -8.56793438 -0.82174903 -0.78100508 3.01215106 1.12682355 5.91712582 3.6970375 6.8311671 1.48155623 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47333 9951932 144210581 A A PharmaGSID_47333 Cc1ncc(cn1)[C@H](CC(=O)O)CCCCCCc2ccc3CCCNc3n2 Tox21_300261 -NCGC00254065-01 196720069 tox21-ror-cho-viability-p1 set3 4 0.0022406057 7.448540132 -5.948540132 1.5 4.9549173134 0.4619353843 0.2150616454 -1.41722877 -10.79045011 3.82205512 -0.52026524 -0.39634982 3.02905706 4.04530248 -1.20787162 -0.5483639 0.74328615 0.49045088 3.58674716 3.22326738 0.88293935 1.65513854 6.194E-10 1.3849999999E-9 3.097E-9 6.9249999999E-9 1.548E-8 3.4619999999E-8 7.742E-8 1.731E-7 3.8709999999E-7 8.656E-7 0.000001935 0.000004328 0.0000096769999999 0.00002164 0.000048389999999 110-05-4 8033 144210419 FNS Di-tert-butyl peroxide CC(C)(C)OOC(C)(C)C Tox21_300099 -NCGC00164127-03 196720080 tox21-ror-cho-viability-p1 set3 -3 61.130564862 -100.5979825388 8 -92.5979825388 4.0449729863 0.9722413115 3.12E-7 6.94465128 10.31139734 12.61145313 8.85968298 11.28544031 8.95840637 0.40671706 5.70817328 7.78962415 5.35145116 11.86308413 12.57905929 0.54468127 -7.36535271 -76.96816859 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00090858-02 196720491 tox21-ror-cho-viability-p1 set3 1.4 0.0019331182 24.4404549719 -26.4404549719 -2 4.4494702849 0.6962199165 0.0398610739 -24.11704581 -6.55584488 0.66356714 2.3004392 -0.50884319 -0.57196331 -3.44756226 -4.78590328 -3.61844661 -5.14845248 2.98105809 -2.21863393 1.99912662 -11.70200699 -4.92246205 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00254503-01 196720505 tox21-ror-cho-viability-p1 set3 4 0.0121971512 -18.89651862 22 3.10348138 1.6266150999 0.7255582286 0.0276580062 20.90193621 19.43102838 21.16554326 9.42157692 6.6097018 3.37131008 1.86580059 0.60515811 1.35629575 2.01969552 16.20382254 -1.99709885 2.88140611 1.1680631 6.57604098 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52-86-8 3559 144210793 A A Haloperidol Fc1ccc(cc1)C(=O)CCCN2CCC(O)(CC2)c3ccc(Cl)cc3 Tox21_300475 -NCGC00254220-01 196720508 tox21-ror-cho-viability-p1 set3 4 12.1971512362 -16.554808928 6.5 -10.054808928 2.3331733767 0.7134326137 0.0324020303 3.46650621 -1.07134752 3.63097438 4.0236274 9.31845078 7.55925825 10.38449334 4.77875137 6.91705613 15.11372644 6.1970385 0.95770339 -4.3474026 -12.12900744 -7.46143119 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-02-7 980 144210437 A A 4-Nitrophenol O=[N+]([O-])c1ccc(O)cc1 Tox21_300117 -NCGC00253921-01 196720510 tox21-ror-cho-viability-p1 set3 4 -7.66530522 -9.61609877 1.15840509 0.01053103 -6.2604315 -1.95432787 2.06351592 -5.18127415 -0.44337949 -5.33515744 2.92387462 -4.14784649 -2.72921312 1.4942972 -5.85843428 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10222-01-2 25059 144210409 2,2-Dibromo-3-nitrilopropionamide BrC(Br)(C#N)C(N)=O Tox21_300089 -NCGC00257862-01 196716345 tox21-ror-cho-viability-p1 set2 4 -4.81543892 -4.92748968 -13.43464665 -8.88214567 -4.39734974 -0.38545337 -13.29860213 -4.7481246 -3.52043402 -5.85994971 -4.07371942 -2.26723078 -2.80258026 -1.21559503 -10.04351972 1.222E-9 2.733E-9 6.1119999999E-9 1.367E-8 3.056E-8 6.8339999999E-8 1.528E-7 3.417E-7 7.64E-7 0.0000017079999999 0.00000382 0.0000085419999999 0.0000191 0.000042709999999 0.000095499999999 101-18-8 7546 144207506 A A 3-Hydroxy-N-phenylaniline Oc2cccc(Nc1ccccc1)c2 Tox21_200308 -NCGC00258514-01 196716340 tox21-ror-cho-viability-p1 set2 -2.1 27.2504920471 -71.5029031282 -1.836194567 -73.3390976952 1.752947691 0.9956188575 0 0.45537373 -1.60311274 -1.98085017 -3.11349378 -2.76660454 -1.56486236 -2.17470969 0.14944146 -2.71847197 -4.44679396 -2.72829344 -9.01804455 -26.65003831 -48.84691144 -67.90657194 1.1779999999E-9 2.633E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.00000368 0.00000823 0.000018399999999 0.00004115 0.00009201 97-24-5 7329 144208159 A A Fenticlor Oc2ccc(Cl)cc2Sc1cc(Cl)ccc1O Tox21_200961 -NCGC00257992-01 196716343 tox21-ror-cho-viability-p1 set2 -2.1 54.6489338392 -94.3063409621 2.7807281825 -91.5256127796 3.5117481694 0.988529811 1.9E-9 5.1642468 -2.14700317 5.95694182 4.14638505 2.28165569 1.31029623 -1.30214173 1.90827554 4.78779629 4.89162788 3.48402921 4.76937577 0.96590339 -23.53569189 -78.42849453 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 112-03-8 8155 144207636 A A N,N,N-Trimethyloctadecan-1-aminium chloride [Cl-].C[N+](C)(C)CCCCCCCCCCCCCCCCCC Tox21_200438 -NCGC00257985-01 196716344 tox21-ror-cho-viability-p1 set2 4 -1.02510171 2.11454022 2.26970746 2.34452212 3.47336379 0.47477496 0.48162702 1.43100117 1.39097372 0.50684832 0.88729782 -0.94011926 -0.75381648 -0.4019404 2.22907775 1.208E-9 2.7009999999E-9 6.0389999999E-9 1.3499999999E-8 3.02E-8 6.752E-8 1.51E-7 3.376E-7 7.549E-7 0.0000016879999999 0.0000037739999999 0.0000084399999999 0.00001887 0.0000422 0.00009436 98-88-4 7412 144207629 Z Benzoyl chloride ClC(=O)c1ccccc1 Tox21_200431 -NCGC00253690-01 196704250 tox21-ror-cho-viability-p1 set1 4 2.05093384 -0.13488212 5.80341727 1.41217384 1.34967069 5.85945692 2.53703621 4.8859763 1.6058211 0.0526715 -0.26491331 0.43794329 0.897413 0.50497643 3.52258038 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7303-78-8 23728 170466590 A F Imidoline CN(C)CCN1CCN(C1=O)c2cccc(Cl)c2 Tox21_113812 -NCGC00260231-01 196703405 tox21-ror-cho-viability-p1 set1 4 3.11053197 6.82525758 3.0042385 5.32171724 3.0572708 -5.96283275 0.41719716 0.90272902 0.30500394 0.82610254 5.16172777 0.20939116 3.78805207 6.49883237 8.021002 1.194E-9 2.6689999999E-9 5.969E-9 1.335E-8 2.985E-8 6.6739999999E-8 1.4919999999E-7 3.337E-7 7.4609999999E-7 0.000001668 0.0000037309999999 0.000008342 0.00001865 0.00004171 0.000093269999999 65350-59-6 13487610 144209881 FNS 1-Butyl-4-methylpyridinium bromide [Br-].Cc1cc[n+](CCCC)cc1 Tox21_202683 -NCGC00018163-10 196704246 tox21-ror-cho-viability-p1 set1 -1.2 9.4391758155 -30.556057848 1.5 -29.056057848 4.4494702849 0.9669280726 8.447E-7 3.23941301 1.89466521 1.57155616 2.5733885 -1.08007861 1.55658555 1.90321938 4.6449922 0.15582918 0.58560327 -1.69114931 0.78887937 -11.72350212 -31.71338154 -26.20088632 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97-18-7 2406 170465515 A Bithionol Oc2c(Sc1cc(Cl)cc(Cl)c1O)cc(Cl)cc2Cl Tox21_110832_1 -NCGC00093936-08 196704247 tox21-ror-cho-viability-p1 set1 4 0.89599163 0.31425466 1.90289756 1.72028788 -3.85883851 -4.03985147 0.49204022 1.02354607 0.8120562 -0.6696839 -0.75375235 1.9360339 -0.19218618 -2.6492203 -1.95975511 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5959-95-5 145815 170465304 F D-Glutamine O=C(N)CC[C@@H](N)C(=O)O Tox21_112047_1 -NCGC00016668-06 196704650 tox21-ror-cho-viability-p1 set1 4 0.0011883218 6.6007779759 -7.1007779759 -0.5 1.78848746 0.3662596028 0.3094840245 -5.91731498 -3.38434057 -1.53759048 -1.12869965 -1.55481453 -0.15468963 5.6702555 -2.71931024 -1.7228675 -0.18366473 0.15036915 -0.37526499 -3.99299895 0.64203132 1.18096558 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6064-83-1 3418 170466091 Cc Salicylic acid dihydrogen phosphate OP(=O)(O)Oc1ccccc1C(=O)O Tox21_110554_1 -NCGC00160537-04 196704655 tox21-ror-cho-viability-p1 set1 4 1.11826986 -1.53210088 -3.07497158 -3.35384374 -3.04270743 -3.21796889 -2.77956272 -0.17243332 1.89201145 0.6429091 -1.26639199 -2.29656873 0.97418677 -0.40854546 -3.08513774 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00016667-04 196704658 tox21-ror-cho-viability-p1 set1 4 2.10211754 0.49608933 1.52437576 0.34147474 1.0243575 -0.4013941 -1.64876466 0.36662974 -0.13453747 -3.16144527 0.79658224 1.46642157 -3.40622266 -1.57813366 1.60543261 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5987-82-6 6420040 170464771 A Benoxinate hydrochloride Cl.CCN(CC)CCOC(=O)c1cc(OCCCC)c(N)cc1 Tox21_110553_1 -NCGC00023230-10 196705071 tox21-ror-cho-viability-p1 set1 4 -3.63235307 1.7237663 -0.0318414 -0.82137736 2.03360724 2.93248823 -0.01415555 1.84924318 -0.04110007 1.16283853 0.66844476 -3.49735317 1.1408467 -4.70584283 -2.0335112 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 128-62-1 275196 170465539 A Noscapine COc3c5OCOc5cc4CCN(C)[C@@H]([C@H]2OC(=O)c1c(OC)c(ccc12)OC)c34 Tox21_110413_1 -NCGC00257898-01 196730427 tox21-ror-cho-viability-p1 set3 -1.2 13.6158713715 -41.5359963007 -3 -44.5359963007 2.2526478767 0.75998542 0.0218152972 -0.11574963 -2.05464394 -3.66848974 -0.7833828 0.07519019 -23.48212317 -2.2321443 -1.37758771 -1.71072918 0 0 -7.85063773 -39.04242144 -36.97788742 -22.76664807 1.175E-9 2.628E-9 5.877E-9 1.314E-8 2.9389999999E-8 6.571E-8 1.469E-7 3.285E-7 7.346E-7 0.000001643 0.000003673 0.0000082129999999 0.00001837 0.00004107 0.00009183 6219-89-2 22586 144207542 Fc 4-Amino-4'-hydroxy-3-methyldiphenylamine Oc2ccc(Nc1cc(C)c(N)cc1)cc2 Tox21_200344 -NCGC00258277-01 196730429 tox21-ror-cho-viability-p1 set3 4 -0.9380254 2.20751183 0.73381512 4.65267204 0.74435341 2.15225781 4.97611796 4.53002415 2.70734679 2.96296131 3.07976463 5.56572187 5.8856905 1.63775646 -0.40913173 1.2319999999E-9 2.755E-9 6.161E-9 1.378E-8 3.08E-8 6.8879999999E-8 1.54E-7 3.444E-7 7.7009999999E-7 0.000001722 0.000003851 0.0000086099999999 0.00001925 0.000043049999999 0.00009626 592-41-6 11597 144207921 FNS 1-Hexene C=CCCCC Tox21_200723 -NCGC00090986-03 196730430 tox21-ror-cho-viability-p1 set3 -2.4 2.4485085608 -23.465112448 1 -22.465112448 0.7999999999 0.7037431443 0.036389468 -1.96180615 1.6526789 1.37613126 2.07458991 -4.35720874 1.68549681 0.95427498 -0.18920928 1.6922747 -24.97092704 -8.33604862 -11.33006428 -15.35178881 -24.14393851 -21.45632494 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00016106-13 196713253 tox21-ror-cho-viability-p1 set2 4 0.0133331902 -9.1412111959 1.5 -7.6412111959 3.0654483358 0.638803569 0.0712203701 -0.00474626 3.62459092 1.96306917 -0.379432 -2.78650562 -10.17856999 -9.24209383 -6.69698556 -6.86568564 -0.48215523 -5.07280397 -12.20100933 -4.11591974 -10.96301417 -9.47842088 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 101975-10-4 5723 170466644 A Zardaverine FC(F)Oc1ccc(cc1OC)C=2C=CC(=O)NN=2 Tox21_110307_1 -NCGC00091080-03 196713246 tox21-ror-cho-viability-p1 set2 4 0.34370984 -0.1631321 -0.96405778 -0.51131782 0.12220024 -0.67561308 -0.27765903 -0.93658644 0.71332832 0.71709395 -1.01648515 0.69156082 -0.56341227 0.97946098 1.37926536 1.121E-9 2.506E-9 5.6039999999E-9 1.2529999999E-8 2.802E-8 6.265E-8 1.401E-7 3.133E-7 7.005E-7 0.000001566 0.0000035019999999 0.000007831 0.00001751 0.00003916 0.00008756 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00159358-03 196713249 tox21-ror-cho-viability-p1 set2 4 0.016785492 -10.2040894679 -0.5 -10.7040894679 1.4641 0.5980791726 0.1126926643 -2.13901122 1.48579879 -2.00473238 -1.65208527 -4.41027107 -12.71287638 -1.56307509 -16.00340789 -11.71050103 -10.78238984 -8.7519609 -12.45481056 -6.31432092 -13.92747106 -5.61634257 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 146-22-5 4506 170465667 A Nitrazepam [O-][N+](=O)c1ccc2NC(=O)CN=C(c2c1)c3ccccc3 Tox21_111601_1 -NCGC00181161-03 196713648 tox21-ror-cho-viability-p1 set2 4 0.57082326 0.90409849 -1.34812379 0.2664108 -0.44524982 -0.174789 0.75562486 1.62089966 -0.23898614 0.56253828 1.56063872 1.95390919 1.12671797 2.31941319 1.03113841 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118-61-6 8365 170466844 F Ethyl salicylate Oc1ccccc1C(=O)OCC Tox21_112764_1 -NCGC00091595-07 196713654 tox21-ror-cho-viability-p1 set2 4 -0.63263674 -0.3390896 -1.86466883 -1.75723844 1.62337858 0.42886606 -2.87143851 -3.06000383 0.17440512 -0.71522974 -0.02495307 -3.40003964 -1.58835538 -5.48829542 -3.69244737 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6152-33-6 517383 170465724 F Sodium 2-phenylphenate tetrahydrate [Na+].O.O.O.O.[O-]c2ccccc2c1ccccc1 Tox21_112097_1 -NCGC00249935-01 196713664 tox21-ror-cho-viability-p1 set2 4 -0.68150141 0.33367453 -0.68392963 -1.03845579 0.19831834 -0.3868714 -0.75198186 0.59479914 0.24376364 -0.11653219 0.81292063 -0.30064766 0.65155469 0.17329156 -1.60964947 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3738-06-5 19536 170465887 A A Phenylacetylglycine dimethylamide CN(C)C(=O)CN(C(C)=O)c1ccccc1 Tox21_113711 -NCGC00063561-03 196713672 tox21-ror-cho-viability-p1 set2 4 -6.39046011 -5.29651856 -3.64165871 -2.60847249 -4.14760098 -5.61502637 -0.93553796 -2.48761685 -1.02040512 -2.86505276 2.48119952 -0.83115506 -4.9730107 -0.17222334 -2.66105961 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 668-94-0 69588 170465946 A 4,5-Diphenylimidazole c1ccc(cc1)c2ncnc2c3ccccc3 Tox21_110979_1 -NCGC00357087-01 196712009 tox21-ror-cho-viability-p1 set2 -1.4 0.0968854161 -16.5349069999 -6.231032024 -22.7659390239 2.8472712143 0.4446098464 0.3607559042 -3.75244644 -9.1118592 -4.97593469 -10.23563644 -3.0485232 -12.94624228 -16.69990901 -25.56723952 -43.77656504 0 -38.52946138 -4.24241383 -22.54939087 -14.78211525 -26.43571421 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 611-59-6 4687 251919916 A 1,7-Dimethylxanthine O=C1c2n(C)cnc2NC(=O)N1C Tox21_303803 -NCGC00257902-01 196711200 tox21-ror-cho-viability-p1 set2 4 61.5659893405 31.4583153999 -10.2982420984 21.1600733015 4.0949729863 0.5204406356 0.1601163213 -6.64372952 -1.95965481 -6.38404642 -11.20276389 -8.4287798 -0.98300544 -4.68009283 -18.97573736 -14.00239483 -19.29944033 -5.13840803 -24.1319295 -10.56273782 -5.28199994 16.32542279 1.187E-9 2.6549999999E-9 5.937E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.3189999999E-7 7.421E-7 0.000001659 0.0000037099999999 0.000008297 0.00001855 0.000041479999999 0.00009276 633-65-8 12456 144207546 A A Berberine chloride [Cl-].COc2ccc1cc3c4cc5OCOc5cc4CC[n+]3cc1c2OC Tox21_200348 -NCGC00260057-01 196711602 tox21-ror-cho-viability-p1 set2 4 54.759821084 -25.80106626 7 -18.80106626 2.09374246 0.8875019844 0.0005812709 4.13475457 4.57489871 5.32465484 7.06776126 8.78242012 8.84723005 8.86128364 10.56632362 9.05725239 5.5339224 4.74751712 6.14193151 4.16341567 -1.58866392 -12.75088855 1.185E-9 2.649E-9 5.923E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 992-59-6 13816 144209706 F F C.I. Direct Red 2 [Na+].[Na+].[O-]S(=O)(=O)c5cc(/N=N/c1ccc(cc1C)c4ccc(/N=N/c2cc(c3ccccc3c2N)S([O-])(=O)=O)c(C)c4)c(N)c6ccccc56 Tox21_202508 -NCGC00260386-01 196711605 tox21-ror-cho-viability-p1 set2 4 0.5968862446 -5.90377125 -3.64895657 -12.45607245 -10.099017 -5.32516235 -16.1758612 -25.30522966 -10.21120271 -16.44499362 -3.52468247 -14.4239396 0 0 -18.56214956 -30.29736665 1.189E-9 2.658E-9 5.9439999999E-9 1.3289999999E-8 2.9719999999E-8 6.646E-8 1.486E-7 3.323E-7 7.4299999999E-7 0.0000016609999999 0.0000037149999999 0.000008307 0.000018579999999 0.00004154 0.000092879999999 51934-41-9 142891 144210038 A A Benzoicacid,4-iodo-,ethylester Ic1ccc(cc1)C(=O)OCC Tox21_202840 -NCGC00260049-01 196712023 tox21-ror-cho-viability-p1 set2 4 -4.00010294 -4.55679635 -5.31215773 -33.30646569 -5.6883234 -9.23884431 -12.58120136 -13.06740081 0 -4.60599888 -12.5994804 -14.08982501 -8.53561197 -14.44287257 -23.91382059 1.188E-9 2.6549999999E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 15663-27-1 2767 144209698 Cisplatin Cl[Pt](Cl)(N)N Tox21_202500 -NCGC00016623-05 196697784 tox21-ror-cho-viability-p1 set1 4 -2.45274041 -1.42320379 -1.08042412 -1.25570835 -2.74479777 -2.07152898 0.16877368 0.29417229 0.48514271 0.54209796 -2.17367401 0.81046203 0.50808726 -2.24115889 -3.27451027 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3160-91-6 76621 170466154 Z Moroxidine hydrochloride Cl.N=C(N)NC(=N)N1CCOCC1 Tox21_110532_1 -NCGC00167973-02 196698180 tox21-ror-cho-viability-p1 set1 4 -0.36961976 2.03585743 1.32794159 -0.67513715 -0.37354729 0.5964402 -0.3771811 -1.18019267 -2.0817644 -2.95262172 -3.96226149 -4.43420788 -1.15793516 -2.10417277 1.9679168 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56839-43-1 123698 170465796 A Eperisone hydrochloride Cl.CC(CN1CCCCC1)C(=O)c2ccc(CC)cc2 Tox21_112599_1 -NCGC00182547-02 196698190 tox21-ror-cho-viability-p1 set1 4 1.54117215 2.65438849 5.66238394 0.40894793 0.36143553 1.04407867 0.27897122 7.38016354 0.37428082 2.28682327 5.17343211 6.03684825 1.4225176 2.06159242 1.23735814 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122795-43-1 60754 170464821 F Gadodiamide hydrate [Gd+3].O.CNC(=O)CN(CC([O-])=O)CCN(CCN(CC([O-])=O)CC(=O)NC)CC([O-])=O Tox21_113000_1 -NCGC00094521-05 196698197 tox21-ror-cho-viability-p1 set1 4 0.0061130565 -4.6116019679 1.5 -3.1116019679 4.9549173134 0.3548588021 0.3206425093 -1.16284763 4.0952867 -0.60611273 -3.99490265 -1.01264046 -4.99482897 -0.64432434 -1.45020934 -1.18412235 -2.05401023 -4.34141366 -2.97944802 -1.05754284 -3.0973907 -7.59300164 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00022472-10 196698200 tox21-ror-cho-viability-p1 set1 4 0.15513668 8.72558462 4.42312301 0.44097136 6.34695985 5.30657414 1.43915164 1.63450496 6.06761865 -0.52399425 5.56825956 7.39925044 1.3505724 9.63171096 7.16601097 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-22-6 5753 170466845 A Corticosterone OCC(=O)[C@H]4CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_110879_1 -NCGC00016260-13 196722714 tox21-ror-cho-viability-p1 set3 4 37.5780357627 23.815765792 2.184234208 26 4.9549173134 0.6167169129 0.0853536746 -3.51431129 -1.45648231 7.23490164 5.40744986 5.11019661 5.57068786 -4.01313816 3.68758551 6.04458292 0.85744483 -0.9541781 4.27138391 4.02481044 -2.37378607 21.74285844 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-54-8 3278 170465426 A Ethacrynic acid Clc1c(ccc(OCC(=O)O)c1Cl)C(=O)C(=C)CC Tox21_110335_1 -NCGC00259035-01 196722294 tox21-ror-cho-viability-p1 set3 -3 70.8277007651 -61.2727996118 -0.866825318 -62.1396249298 4.9549173134 0.9445730727 0.0000147466 -5.61019374 -3.60619031 -3.60769596 -2.30649027 -2.17637677 -1.90387407 1.29908443 -1.0920974 2.76378895 2.65751654 -1.45395114 -2.79463875 1.56182205 1.77928398 -50.90446423 1.212E-9 2.71E-9 6.061E-9 1.3549999999E-8 3.03E-8 6.7759999999E-8 1.515E-7 3.388E-7 7.576E-7 0.0000016939999999 0.0000037879999999 0.00000847 0.00001894 0.00004235 0.0000947 85509-19-9 73675 144208682 A A Flusilazole C[Si](Cn1cncn1)(c2ccc(F)cc2)c3ccc(F)cc3 Tox21_201484 -NCGC00159417-06 196722697 tox21-ror-cho-viability-p1 set3 -2.2 44.2913331849 -47.749885336 -0.448992742 -48.198878078 3.0654483358 0.7013279088 0.0374016513 2.92769688 5.79064146 -0.72244131 -2.85151443 -7.89995609 -13.59822342 -11.88875234 0 -11.76702735 10.06208234 10.53168964 6.22461898 2.60030838 -22.82602863 -43.95823778 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00159395-04 196722701 tox21-ror-cho-viability-p1 set3 4 0.2984929481 9.2497166439 -2.7497166439 6.5 4.9549173134 0.3260176827 0.3424221604 4.54378572 1.4782214 2.19025043 1.99893886 -3.1973291 -2.23630639 -6.27593764 -23.12476387 7.39683043 8.44970487 6.48797808 2.78689519 1.68569312 6.50546597 12.42427141 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103-03-7 61002 170466385 C Phenicarbazide NC(=O)NNc1ccccc1 Tox21_111632_1 -NCGC00159423-03 196723114 tox21-ror-cho-viability-p1 set3 4 2.8205136 -0.3608043 -0.14674654 -0.78605548 -0.97466064 -0.6494155 -0.1414819 -0.519867 -4.96776654 -1.16400584 -0.12067749 -3.24222566 -5.84567287 3.6094448 1.68128883 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84-80-0 5284607 170464798 F Phytonadione CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(\C)=C\CC2=C(C)C(=O)c1ccccc1C2=O Tox21_111655_1 -NCGC00024870-06 196723128 tox21-ror-cho-viability-p1 set3 4 0.2984929481 16.671783848 -11.671783848 5 4.9549173134 0.6265434439 0.0785310693 -4.79999036 1.62734139 -12.96012811 -6.67839042 -19.40854358 -10.35703852 -20.00685422 -22.22648654 4.42718706 4.21428368 4.17240233 2.26654338 2.49001974 3.34730466 9.87701851 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80125-14-0 54477 170466425 A Remoxipride CCN2CCC[C@H]2CNC(=O)c1c(OC)ccc(Br)c1OC Tox21_110934_1 -NCGC00178521-03 196723548 tox21-ror-cho-viability-p1 set3 -2.1 29.8492948118 -117.3503179808 0.1283826009 -117.2219353799 2.3031167061 0.9637536635 0.0000014112 1.48098352 0.42788691 0.03133746 -0.96410684 -0.14725945 -10.01061182 -1.82387523 0.45137954 0.67646039 1.87294735 9.91167749 2.56524026 -14.64570794 -32.38079596 -88.8044965 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 555-77-1 5561 170466083 A 2-Chloro-N,N-bis(2-chloroethyl)ethanamine ClCCN(CCCl)CCCl Tox21_113198_1 -NCGC00260354-01 196723940 tox21-ror-cho-viability-p1 set3 4 -3.98878609 0.35338762 0.57529946 4.40854194 5.2126342 1.80781558 7.80652475 5.53281505 -3.74208094 0.78214633 6.93212385 4.9265486 -0.07438545 -0.79804189 0.89168515 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.9409999999E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.0000411 0.00009189 15646-46-5 1712094 144210006 Cc D Oxazolone O=C1OC(=N/C1=C\OCC)c2ccccc2 Tox21_202808 -NCGC00016361-12 196717588 tox21-ror-cho-viability-p1 set2 4 0.004216325 15.713356752 -14.213356752 1.5 0.3 0.6849099655 0.0457705751 -7.3058974 -11.84446396 -5.16385293 -5.70910907 -2.1834127 -6.50029074 -0.60041308 -4.62303256 -1.70355899 0.8461169 0 -2.04245872 -2.25984529 0.55919362 2.43109656 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103-90-2 1983 170466797 A Acetaminophen Oc1ccc(NC(C)=O)cc1 Tox21_110397_1 -NCGC00091775-03 196721708 tox21-ror-cho-viability-p1 set3 4 0.0024336516 15.5059577679 -15.0059577679 0.5 3.0654483358 0.8449832189 0.0040459811 -13.33829814 -7.09303714 0.94366158 1.52810044 -1.2354848 -0.80887954 -0.46904874 3.5266901 -0.85012838 4.05265898 0.52437833 0.16578084 -0.42921199 -1.7072352 -6.21230899 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00259616-01 196721711 tox21-ror-cho-viability-p1 set3 4 -2.6567336 -2.35780805 -0.39519206 5.92935733 -3.47281707 -3.98275243 -4.12634886 -6.08468428 -4.04972307 -3.73387811 -4.5139144 -4.75736055 0.5547857 -0.83824553 -2.87293539 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.3169999999E-8 2.944E-8 6.583E-8 1.472E-7 3.291E-7 7.3599999999E-7 0.0000016459999999 0.00000368 0.0000082289999999 0.000018399999999 0.000041139999999 0.000092 947-04-6 13690 144209265 A A Azacyclotridecan-2-one O=C1CCCCCCCCCCCN1 Tox21_202067 -NCGC00163843-03 196722109 tox21-ror-cho-viability-p1 set3 4 49.3984111494 7.2610464079 -4.7610464079 2.5 3.9899729863 0.4390332091 0.2389682556 -8.13420534 -5.08156379 -3.87651603 0.29467794 -6.28754237 -4.68590411 -3.73110611 -4.47432445 -4.78298255 -2.15363543 -6.72756577 -7.19348024 -4.80540496 -2.45554933 1.93752828 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00015436-11 196717580 tox21-ror-cho-viability-p1 set2 4 0.0668242473 10.5612729839 -11.0612729839 -0.5 1.4641 0.8606967957 0.0016152435 -8.9975514 -11.83380553 -9.15928393 -13.80106082 -11.47023386 -8.24906407 -3.87160096 -3.59198654 -1.85639434 -2.95358116 -0.29584487 -0.33953343 -0.13205502 4.25445746 -2.32315398 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69-23-8 3372 170465375 A Fluphenazine hydrochloride FC(F)(F)c2cc3N(CCCN1CCN(CCO)CC1)c4ccccc4Sc3cc2 Tox21_110146_1 -NCGC00159459-04 196717582 tox21-ror-cho-viability-p1 set2 -1.2 1.333319023 -25.396515808 -3.71925826 -29.115774068 2.4729283767 0.967457469 7.709E-7 -5.49539108 -3.75622401 -6.54706371 -6.12338214 -1.51863797 -3.97848422 -2.38790399 -2.70198949 -1.01604855 -12.34571273 -19.57352614 -29.17080393 -31.34647839 -28.88561963 -27.06417361 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 128794-94-5 5281078 170464859 A Mycophenolate mofetil Oc3c1C(=O)OCc1c(C)c(OC)c3C\C=C(/C)CCC(=O)OCCN2CCOCC2 Tox21_111686_1 -NCGC00249893-01 196717587 tox21-ror-cho-viability-p1 set2 4 0.0053080386 6.3022556479 -6.3022556479 0 3.1319983358 0.4901736939 0.1893281322 -0.94446305 -8.53978116 -9.83521304 0.70519126 -0.50872395 -0.66082099 -2.83248582 2.36642588 -1.13194616 -0.07536154 0.88780802 -1.00658852 1.99835413 -0.33548076 -1.28684823 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53882-12-5 44564 170465346 Fc F Lodoxamide Clc1c(cc(cc1NC(=O)C(=O)O)C#N)NC(=O)C(=O)O Tox21_113669 -NCGC00163886-05 196717999 tox21-ror-cho-viability-p1 set2 4 1.50355546 1.40860407 3.3720052 3.28501459 4.16872035 4.32371149 5.47260673 6.21957656 0.64228436 -0.06650339 -0.41699614 -0.85727022 1.70987657 -0.72795481 0.65817058 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 299-84-3 9298 170466415 F Fenchlorphos Clc1cc(OP(=S)(OC)OC)c(Cl)cc1Cl Tox21_113416_1 -NCGC00256379-01 196718421 tox21-ror-cho-viability-p1 set2 4 1.05985412 -0.65133131 -3.33559139 1.69799398 -4.19358851 -11.03378956 -2.79505597 1.47235747 -2.86758533 -2.07379198 -0.46000343 0.97159887 -0.92924181 -2.22893519 -0.76788613 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-11-4 8785 144213158 A Ac Benzyl acetate CC(=O)OCc1ccccc1 Tox21_302841 -NCGC00257167-01 196718427 tox21-ror-cho-viability-p1 set2 -2.2 48.5577336745 -42.8215412359 1.5 -41.3215412359 1.5385888099 0.9543947229 0.0000050869 1.13740469 0.32278582 2.42978321 0.61246961 2.54880157 5.20247234 -0.31526593 4.41890172 0.15617987 -0.20390385 0.59499816 -4.2187264 -5.67408356 -14.37283186 -31.51795103 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 538-75-0 10868 144213554 A Ac Dicyclohexylcarbodiimide N(=C=N\C1CCCCC1)\C2CCCCC2 Tox21_303237 -NCGC00257447-01 196718430 tox21-ror-cho-viability-p1 set2 4 -0.17986019 0.61929061 -0.0929905 0.37810003 1.54089125 3.74781061 1.28772199 4.98350994 0.18996294 3.28533594 -0.13047442 -5.02089549 0.39185156 0.61358592 4.21486192 1.1379999999E-9 2.546E-9 5.692E-9 1.2729999999E-8 2.8459999999E-8 6.3639999999E-8 1.423E-7 3.182E-7 7.115E-7 0.0000015909999999 0.0000035579999999 0.000007955 0.000017789999999 0.00003978 0.00008894 50-70-4 5780 144213700 A A D-Glucitol O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)CO Tox21_303388 -NCGC00258934-01 196705910 tox21-ror-cho-viability-p1 set1 4 1.71805882 -0.0354878 0.58728352 -0.2677857 -1.12411496 1.08785216 -0.5349928 1.5364182 4.98458097 19.05127494 5.87556234 -0.40400428 0.49851904 2.69957304 0.42601796 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.000092909999999 1843-05-6 15797 144208581 A A Octabenzone O=C(c1ccc(cc1O)OCCCCCCCC)c2ccccc2 Tox21_201383 -NCGC00259614-01 196705922 tox21-ror-cho-viability-p1 set1 4 -0.92332765 3.34461227 1.21743417 3.11221165 -0.3999793 1.64106778 -1.50134402 -0.07698194 6.38162127 0 2.0177038 1.54260652 1.56381648 1.93120986 1.41420452 1.166E-9 2.608E-9 5.832E-9 1.304E-8 2.9159999999E-8 6.521E-8 1.458E-7 3.26E-7 7.2899999999E-7 0.0000016299999999 0.000003645 0.0000081509999999 0.00001823 0.00004075 0.000091129999999 110-27-0 8042 144209263 A F Isopropyl tetradecanoic acid CC(C)OC(=O)CCCCCCCCCCCCC Tox21_202065 -NCGC00258916-01 196706318 tox21-ror-cho-viability-p1 set1 4 5.35471564 0.7504415 -0.39672545 -2.53471652 1.51945407 2.7224953 2.04882332 0.57487007 -3.37434868 -0.0892816 0.9471146 -0.21287483 0.23461064 0.5926176 5.28791423 1.206E-9 2.6959999999E-9 6.028E-9 1.348E-8 3.014E-8 6.74E-8 1.507E-7 3.37E-7 7.535E-7 0.000001685 0.0000037679999999 0.000008425 0.00001884 0.000042119999999 0.000094189999999 1738-25-6 15615 144208562 A A 3-Dimethylaminopropionitrile N#CCCN(C)C Tox21_201364 -NCGC00186006-03 196713280 tox21-ror-cho-viability-p1 set2 4 10.15475102 5.27742214 6.72493787 5.6973735 4.75459458 4.39717767 4.1645707 0.77174877 3.69724037 0.37891886 2.05185221 1.27011165 0.62714098 3.20417346 5.96599881 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77191-36-7 71157 170466286 A Nefiracetam O=C2CCCN2CC(=O)Nc1c(C)cccc1C Tox21_113521_1 -NCGC00016386-06 196713281 tox21-ror-cho-viability-p1 set2 4 5.3080386368 -10.733029572 1 -9.733029572 4.9549173134 0.762565775 0.0160749359 3.44542076 2.38201735 1.49162445 -0.61219455 0.88332981 0.00496215 -0.53090508 1.16219594 0.15014369 0.68929688 -0.70342101 1.96914592 -15.19419131 -7.00856449 -7.23479346 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127-79-7 5325 170464738 A Sulfamerazine O=S(=O)(Nc1nc(C)ccn1)c2ccc(N)cc2 Tox21_110411_1 -NCGC00014670-17 196713258 tox21-ror-cho-viability-p1 set2 4 0.2371013766 -9.571716984 6.5 -3.071716984 0.6999999999 0.6774360778 0.0493534737 4.97466563 5.46643577 8.5820121 5.37914154 7.36580999 0.92602533 5.88612254 -0.54672197 5.06178071 -1.41880131 -3.12401451 -3.3987582 0.25454605 0.19610524 -5.47643082 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57808-66-9 3151 170465594 A Domperidone Clc4cc5NC(=O)N(C3CCN(CCCN1c2ccccc2NC1=O)CC3)c5cc4 Tox21_110056_1 -NCGC00274069-01 196713260 tox21-ror-cho-viability-p1 set2 4 2.35023789 -5.69318328 -4.92409964 -4.65653025 2.67511403 2.23396399 -2.99323228 -3.29835635 -3.46719792 -3.18166298 -5.42993166 -0.41550636 0.21478889 -1.20008939 -1.09084957 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62-90-8 229455 170465193 A Nandrolone phenpropionate O=C5CC[C@H]4C(CC[C@@H]2[C@@H]4CC[C@]3(C)[C@@H](OC(=O)CCc1ccccc1)CC[C@@H]23)=C5 Tox21_113342_1 -NCGC00015801-12 196713677 tox21-ror-cho-viability-p1 set2 4 -5.15647582 -6.82602957 0.61164818 -4.30967095 0.06314476 -3.8777038 -3.35962289 0.68176441 -0.6603791 0.60106379 -0.46133985 1.08947346 0.04553902 0.20196544 1.61746506 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6493-05-6 4740 170465384 A Pentoxifylline CC(=O)CCCCN2C(=O)c1n(C)cnc1N(C)C2=O Tox21_110223_1 -NCGC00015042-11 196713683 tox21-ror-cho-viability-p1 set2 4 0.16240498 1.72972285 0.69946095 2.33161554 0.56914682 -0.08136077 -0.97047044 0.60553188 1.74258805 1.33138921 0.2418692 3.55860861 0.97433485 1.72801858 -0.23548861 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 179113-91-8 5283389 170466894 A N-Arachidonylglycine O=C(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)NCC(=O)O Tox21_110070_1 -NCGC00183276-01 196713687 tox21-ror-cho-viability-p1 set2 4 1.28706336 -0.83001671 2.33249253 -0.77560518 1.94493319 3.06733528 1.49510302 0.50678281 2.48722295 -0.49659264 0.32357871 4.18141512 0.77033246 5.33586744 1.04581188 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 72590-77-3 636398 144206491 F F Hydrocortisone buteprate CCC(=O)OCC(=O)[C@@]4(OC(=O)CCC)CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_112938 -NCGC00179475-03 196713692 tox21-ror-cho-viability-p1 set2 4 -0.72637804 5.10791171 -1.72945593 -1.55831045 0.56789476 -1.14205731 0.02466557 1.76001234 -0.37572531 -1.46332827 -1.44848792 -0.17814461 4.90083272 4.62130527 3.28870259 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3093-35-4 443943 170465389 A Halcinonide ClCC(=O)[C@@]54OC(C)(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)CC[C@@]12C Tox21_110530_1 -NCGC00178520-03 196713695 tox21-ror-cho-viability-p1 set2 4 16.7854920005 -22.784136936 0 -22.784136936 0.7999999999 0.7727701571 0.0134710429 -1.78921376 -0.6558507 -0.41728867 -0.75832562 -0.18005606 2.87349055 -0.01799776 -2.45216827 -1.06989974 0.23822401 -1.22967331 -12.14947427 -6.39220848 -7.86338575 -18.98678078 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 611-75-6 5702220 170465803 A Bromhexine hydrochloride Cl.CN(Cc1cc(Br)cc(Br)c1N)C2CCCCC2 Tox21_111385_1 -NCGC00091210-02 196714092 tox21-ror-cho-viability-p1 set2 4 108.7072248181 -14.1644644559 -2 -16.1644644559 0.7 0.4057812573 0.269161019 -2.50294642 -1.80257679 1.35931355 -3.58040554 1.24218926 -3.68230112 -8.34872922 -2.75007921 -2.87599019 -1.40515901 -4.79019014 -2.9838058 -3.35985397 -4.46801827 -11.80372038 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00254002-01 196714100 tox21-ror-cho-viability-p1 set2 4 -1.75417807 -6.17795843 1.12106356 -1.31582502 -3.32390855 -5.60148577 -13.51767085 -8.16133509 -6.54837423 -3.06331974 -6.80263791 -2.47086399 -3.0145111 -2.97368329 0.79511113 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-49-0 7813 144210488 A Fc 4-Methylaniline Cc1ccc(N)cc1 Tox21_300168 -NCGC00254643-01 196714101 tox21-ror-cho-viability-p1 set2 4 0.0273060203 -7.896504368 4.5 -3.396504368 0.8999999999 0.6061168296 0.1076592253 5.62517121 1.21859851 3.84183954 0.64503294 0.9942893 -0.94137049 0.85534808 -7.41375364 -2.12244331 -4.51373788 -0.90265418 -2.4171862 -6.38947866 -0.80320492 0.18521027 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-37-1 7555 144211054 A A 2,4,6-Tris(allyloxy)-1,3,5-triazine C=CCOc1nc(nc(OCC=C)n1)OCC=C Tox21_300737 -NCGC00254652-01 196699047 tox21-ror-cho-viability-p1 set1 4 0 3.09534556 0.35870976 0.8966956 -0.02654532 -0.25185276 -0.02035215 -0.22981478 -3.26126112 -2.35725762 0.37522149 -0.32983036 3.70937767 3.70402951 1.70327169 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-74-6 7204 144211063 A A MCPA Clc1cc(C)c(OCC(=O)O)cc1 Tox21_300746 -NCGC00254818-01 196699043 tox21-ror-cho-viability-p1 set1 4 -0.83934488 -1.22088257 -2.13885131 -2.4313367 0.69766991 0.84439885 -1.27881689 0.54991063 1.10603392 -0.92637097 7.20830861 -1.27077074 0.79767046 0.30346553 0.88764662 1.2559999999E-9 2.808E-9 6.2789999999E-9 1.404E-8 3.1399999999E-8 7.0199999999E-8 1.57E-7 3.5099999999E-7 7.849E-7 0.0000017549999999 0.000003924 0.000008775 0.00001962 0.00004388 0.00009811 88-82-4 6948 144211231 A A 2,3,5-Triiodobenzoic acid Ic1c(cc(I)cc1I)C(=O)O Tox21_300914 -NCGC00255010-01 196699050 tox21-ror-cho-viability-p1 set1 -2.4 19.3311819617 -27.2617343919 1.5 -25.7617343919 3.1319983358 0.970410387 4.504E-7 2.04614681 1.61016931 -2.27830329 2.38335533 2.60470193 0.30851103 2.27790336 -0.96208526 3.52298697 0.90339213 0.44121386 1.3377793 -11.94643027 -21.99804521 -26.88477866 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119446-68-3 86173 144211427 A A Difenoconazole Clc1ccc(cc1)Oc2ccc(c(Cl)c2)C4(Cn3ncnc3)OCC(C)O4 Tox21_301110 -NCGC00090885-03 196699058 tox21-ror-cho-viability-p1 set1 4 0.60924703 2.84022488 -0.56993791 0.13580222 0.521041 0.46631666 -0.62467826 4.75306828 0.99632345 2.34701016 1.42857359 -0.52484127 -0.99898136 0.51884227 1.37729665 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00091643-08 196699462 tox21-ror-cho-viability-p1 set1 -2.2 43.2771256911 -46.5440959816 -0.573440742 -47.1175367236 1.9673362061 0.9255713177 0.0000710124 1.15376529 -6.08864952 0.90899581 2.38778869 1.07699064 1.7108466 0.10661035 -0.40856374 -8.7964139 -0.3637704 1.70259403 0.62679286 -7.82188532 -23.42344372 -38.34661873 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00254108-01 196699467 tox21-ror-cho-viability-p1 set1 4 0.11041736 -0.11690881 4.08646326 -0.30828986 -0.15978508 0.39298675 -4.01783799 -0.72302792 -4.36399661 3.22678065 -3.69107049 -3.94458725 0.52164691 1.97531223 0.21416961 7.9629999999E-10 1.781E-9 3.982E-9 8.9029999999E-9 1.991E-8 4.452E-8 9.954E-8 2.226E-7 4.9769999999E-7 0.000001113 0.0000024879999999 0.000005564 0.00001244 0.000027819999999 0.00006221 263553-33-9 60196400 144210539 A A GW473178E methyl benzene sulphonic acid O=S(=O)(O)c1ccc(C)cc1.CC(C)N(CC)C(=O)c1cc(C)cc(c1)OC[C@H](C)Nc2ccncc2 Tox21_300219 -NCGC00356989-01 196723981 tox21-ror-cho-viability-p1 set3 4 0.0011883218 19.658623308 -22.669917356 -3.011294048 0.4 0.3996612864 0.2898631722 -17.22493113 -13.42792476 -11.3083004 -3.17083736 -11.33412234 -5.09686918 -0.84274504 -5.41266482 -6.70457253 -11.24269537 -5.1169153 -7.99905772 -5.17776794 -3.23148677 -7.78627 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52663-68-0 40475 251919985 Fns 2,2',3,4',5,5',6-Heptachloro-1,1'-biphenyl Clc2c(c1cc(Cl)c(Cl)cc1Cl)c(Cl)c(Cl)cc2Cl Tox21_303787 -NCGC00247733-01 196723554 tox21-ror-cho-viability-p1 set3 -3 68.1016469048 -86.4822515919 -0.091799635 -86.5740512269 4.9549173134 0.8713159098 0.0011001325 -17.26210524 1.37467436 -3.43908683 -6.41239227 -1.81386684 -4.64225623 -5.09572763 3.4957287 5.96821939 8.10313939 10.2243049 -0.03853294 5.81098037 -1.9114155 -70.69369145 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.0000036659999999 0.000008198 0.00001833 0.00004099 0.000091659999999 53152-21-9 11969480 144206452 A A Buprenorphine hydrochloride Cl.CC(C)(C)[C@@](C)(O)[C@H]7C[C@]64CC[C@]7(OC)[C@@H]1Oc3c(O)ccc2C[C@H]6N(CC[C@]14c23)CC5CC5 Tox21_112899 -NCGC00260400-01 196723975 tox21-ror-cho-viability-p1 set3 -3 62.5007690618 -43.1643436478 1.4296238774 -41.7347197704 4.9549173134 0.9063211173 0.0002321827 -6.75107588 2.39234623 3.60753432 -1.7357862 2.15071841 -3.34912386 3.48888811 0.21840599 4.2733818 3.89915718 3.02052392 4.71330041 1.00489895 -4.10166082 -36.69422204 1.202E-9 2.688E-9 6.0109999999E-9 1.344E-8 3.005E-8 6.7199999999E-8 1.503E-7 3.36E-7 7.5129999999E-7 0.0000016799999999 0.0000037569999999 0.0000084 0.00001878 0.000042 0.00009392 60-82-2 4788 144210052 A A Phloretin O=C(CCc1ccc(O)cc1)c2c(O)cc(O)cc2O Tox21_202854 -NCGC00260349-01 196723978 tox21-ror-cho-viability-p1 set3 4 0.086700588 -13.5160700679 1 -12.5160700679 0.5 0.640508726 0.0701041039 -5.02958092 2.23449076 1.95007775 -2.02763163 -4.84533123 -9.9024655 -7.26461461 -5.98244824 -7.10561236 -12.37313317 -5.09963661 -13.08249565 -13.01281143 -15.43005839 -9.09615832 1.1839999999E-9 2.648E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.619E-8 1.4799999999E-7 3.309E-7 7.4E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.0000925 13820-41-2 144210001 A Ammonium tetrachloroplatinate(II) [NH4+].[NH4+].[Cl-][Pt+2]([Cl-])([Cl-])[Cl-] Tox21_202803 -NCGC00260179-01 196723987 tox21-ror-cho-viability-p1 set3 4 0.4831093469 -4.010623508 0 -4.010623508 4.9549173134 0.4221364454 0.271164789 -4.59123936 -3.01155383 4.73675757 1.98254784 -1.01221872 0.09059193 0.0141048 1.27111336 -4.81550363 -2.73013166 -5.42551959 -4.81708286 -2.37389453 -3.64281426 7.23044616 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.9369999999E-8 6.568E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.000003672 0.00000821 0.000018359999999 0.000041049999999 0.00009179 174899-90-2 21932259 144209829 A A 1-Ethyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide C[n+]1ccn(CC)c1C.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F Tox21_202631 -NCGC00254049-01 196720100 tox21-ror-cho-viability-p1 set3 4 4.8557733675 16.596654996 -4.596654996 12 0.4 0.8062211196 0.0070288825 -3.38207763 -2.43466155 -8.83054583 -4.53527199 -1.07956593 0.47492483 -0.34759004 0.18153288 -0.81985891 3.41889926 0.04205801 3.34858792 7.4096586 8.49296284 8.0208911 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124-94-7 31307 144210498 A A Triamcinolone OCC(=O)[C@@]3(O)[C@H](O)C[C@H]2[C@@H]4CCC1=CC(=O)C=C[C@]1(C)[C@@]4(F)[C@@H](O)C[C@@]23C Tox21_300178 -NCGC00254496-01 196720105 tox21-ror-cho-viability-p1 set3 4 7.6958821542 -18.1159946 16.5 -1.6159946 0.8999999999 0.6660435183 0.054998368 15.19510619 11.7802449 16.34789379 14.8642421 16.78901162 15.3133085 19.03035316 17.354683 20.88181453 14.83956462 5.69066611 0.75212108 9.32188978 7.84028822 -4.6799955 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69655-05-6 50599 144210892 A C 2',3'-Dideoxyinosine O=C3NC=Nc2c3ncn2[C@H]1CC[C@@H](CO)O1 Tox21_300575 -NCGC00254384-01 196720119 tox21-ror-cho-viability-p1 set3 4 3.43623185 0.88080342 2.47733704 -5.1650963 4.9341549 -0.34045815 -1.11160579 3.35980532 0.19812 1.60246422 2.67348514 0.02041672 6.00475305 2.37147005 -0.0006002 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-49-8 7238 144210647 FNS 2-Chlorotoluene Cc1ccccc1Cl Tox21_300329 -NCGC00253957-01 196720120 tox21-ror-cho-viability-p1 set3 -2.4 48.5577336745 -36.4150040719 -3 -39.4150040719 2.4063783767 0.6348723968 0.0731889602 0.9067214 -4.45741622 4.65509241 -10.17433272 2.0345407 3.95029184 -7.65445889 -8.79952117 -9.73129312 4.37369916 -12.27093917 -4.94819575 4.26950891 -20.91667514 -32.42917006 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-44-1 643460 144210502 B Sorbic acid C\C=C\C=C\C(=O)O Tox21_300182 -NCGC00160537-04 196720531 tox21-ror-cho-viability-p1 set3 4 9.47587441 0.19688391 0.33414917 -4.19457555 -3.6347881 7.24033268 0.29172837 -2.59960426 -2.60534392 10.45426839 1.18754274 -1.1306242 8.29752015 6.16007034 -5.02898208 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00258852-01 196720928 tox21-ror-cho-viability-p1 set3 4 -11.91639997 -1.56169408 -11.09457973 -2.37209084 -12.13805218 -7.49445152 -2.82168588 -9.64448071 -10.61163932 0.32747457 -9.96236677 -2.00952065 -5.58832604 -2.23110707 -7.8167505 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.000018359999999 0.000041049999999 0.000091779999999 77501-63-4 62276 144208498 A A Lactofen Clc2cc(ccc2Oc1cc(C(=O)OC(C)C(=O)OCC)c(cc1)[N+]([O-])=O)C(F)(F)F Tox21_201300 -NCGC00258840-01 196720937 tox21-ror-cho-viability-p1 set3 4 -7.1689497 -5.72246167 -0.91114455 8.08224537 -3.19964775 -6.29318114 -2.25310954 -6.08365423 -2.82983277 -0.79460769 -5.64059392 1.14623325 -3.93726727 6.07701803 2.67850902 1.163E-9 2.602E-9 5.817E-9 1.301E-8 2.909E-8 6.5039999999E-8 1.454E-7 3.252E-7 7.2719999999E-7 0.0000016259999999 0.000003636 0.00000813 0.00001818 0.00004065 0.000090889999999 106-37-6 7804 144208486 A F 1,4-Dibromobenzene Brc1ccc(Br)cc1 Tox21_201288 -NCGC00092315-02 196717204 tox21-ror-cho-viability-p1 set2 4 -3.37138414 1.00299778 -2.25225967 -1.69050643 -1.33816279 -2.18600974 -2.38185164 -4.97237609 -3.75042312 -4.75816347 -2.91962181 -3.90655858 -2.54944389 -1.39842987 -1.97017342 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 178600-17-4 158793 170466782 A ZD 2079 Cl.O=C(O)Cc2ccc(OCCNC[C@H](O)c1ccccc1)cc2 Tox21_113587_1 -NCGC00257676-01 196716371 tox21-ror-cho-viability-p1 set2 4 2.89371092 0.80483575 0.24325963 7.07824496 4.36706851 3.92991368 -6.25167516 -0.04043299 1.70374946 6.43675007 4.29486139 4.74881663 6.05895184 3.38038859 1.44647224 1.194E-9 2.671E-9 5.9709999999E-9 1.335E-8 2.986E-8 6.676E-8 1.493E-7 3.338E-7 7.464E-7 0.000001669 0.000003732 0.000008345 0.00001866 0.000041729999999 0.000093299999999 50-02-2 5743 144207320 A A Dexamethasone OCC(=O)[C@@]4(O)[C@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_200122 -NCGC00263576-01 196716778 tox21-ror-cho-viability-p1 set2 4 4.23956829 0.6277379 -0.64869519 2.92351219 4.05510731 3.18899797 2.78122694 -1.71196903 0.69540466 2.46221698 4.24698885 1.7076135 0.68954532 2.61698253 1.05568595 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51952-41-1 60196354 170464922 A Gonadorelin hydrochloride Cl.O=C(NCC(N)=O)[C@H]6CCCN6C(=O)[C@@H](CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CO)NC(=O)[C@@H](Cc3cnc2ccccc23)NC(=O)[C@H](Cc4cncn4)NC(=O)[C@H]5CCC(=O)N5 Tox21_113381_1 -NCGC00017259-07 196717197 tox21-ror-cho-viability-p1 set2 4 5.3080386368 -13.94907054 2.5 -11.44907054 0.9999999999 0.8586315695 0.0017341698 1.23056047 1.37489414 3.88099664 0.61839483 1.19642516 3.19842393 6.39993929 5.29532721 0.2063569 -0.92790218 -0.59977562 -4.3713085 -4.96194364 -8.20500424 -10.37422545 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27848-84-6 34040 170465878 A Nicergoline Brc1cc(cnc1)C(=O)OC[C@@H]3C[C@]4(OC)c5cccc2c5c(cn2C)C[C@H]4N(C)C3 Tox21_110810_1 -NCGC00024714-11 196717206 tox21-ror-cho-viability-p1 set2 4 -4.49504368 1.62180607 -0.44263836 -0.07973201 0.67664249 0.02203159 2.63790847 -2.65844279 -1.38646304 2.01260315 0.32534516 -0.06652318 -3.95816011 0.33781786 -2.11849423 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 486-12-4 5282443 170464931 A Triprolidine Cc1ccc(cc1)C(=C\CN2CCCC2)/c3ccccn3 Tox21_110919_1 -NCGC00091602-02 196725473 tox21-ror-cho-viability-p1 set3 4 5.3818477957 -8.4150253479 7.5 -0.9150253479 3.1319983358 0.383048138 0.2883946543 2.34837058 3.58944413 4.11171237 -0.96148705 6.79695229 15.17578988 14.70422097 10.61435581 11.18148737 9.84841791 4.53273928 1.94121443 -3.67918779 3.40732595 -2.62526511 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00016418-15 196725457 tox21-ror-cho-viability-p1 set3 4 1.48433636 6.39379867 1.50617422 3.23452882 -0.54308138 -2.81976408 -2.22692348 2.3010242 2.22369936 3.14066155 4.55510084 4.74429879 4.51615214 6.17972175 0.00701028 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 298-81-7 4114 170465041 A Methoxsalen COc1c3occc3cc2C=CC(=O)Oc12 Tox21_110432_1 -NCGC00090827-04 196725461 tox21-ror-cho-viability-p1 set3 4 -5.88799372 0 4.44734704 -9.42032732 -7.3340388 1.58393062 -8.02275307 -8.23435319 0.83718147 -1.7405894 -0.40440724 -9.69115269 2.2634999 0.48798792 1.24434805 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00090760-08 196725463 tox21-ror-cho-viability-p1 set3 4 0.0038335552 -23.517071016 10 -13.517071016 1.24751 0.7591609079 0.0168931802 9.4471198 -5.34143947 0 -13.28483479 -10.7060345 -8.86170652 -14.64401237 -12.48608476 -14.0952108 -13.61613071 -14.05038385 -8.22817956 -14.21371932 -13.10886367 -18.34755918 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00262937-01 196725868 tox21-ror-cho-viability-p1 set3 4 -4.88884983 -2.71550843 4.48229906 -0.67326076 -4.62352912 1.439234 1.12153523 -0.39949247 -5.15149805 -1.97747989 0.2958149 -3.24355254 0.10921693 -0.44261302 1.96309482 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 535-65-9 10811 170466103 A A Glybuthiazol O=S(=O)(Nc1nnc(s1)C(C)(C)C)c2ccc(N)cc2 Tox21_113930 -NCGC00016066-14 196725870 tox21-ror-cho-viability-p1 set3 4 7.73349926 -0.81992498 6.24620792 -2.2027047 0.91356226 -0.57694117 -1.62736859 -0.40443128 -1.05976098 5.85847742 -0.54489879 -1.35421486 -1.77244677 6.72805249 0.77261643 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64887-14-5 167980 170466013 A Urapidil hydrochloride Cl.COc3ccccc3N2CCN(CCCNC1=CC(=O)N(C)C(=O)N1C)CC2 Tox21_111286_1 -NCGC00258529-01 196715358 tox21-ror-cho-viability-p1 set2 4 -3.23798313 -0.95517775 -1.42234082 2.00198604 -1.84429004 1.93007997 -3.32473033 -1.41851213 1.78171069 1.78090232 -1.49257378 -2.14900893 1.13914412 1.78821738 3.02834597 1.0889999999E-9 2.435E-9 5.445E-9 1.2169999999E-8 2.722E-8 6.087E-8 1.3609999999E-7 3.044E-7 6.806E-7 0.000001522 0.000003403 0.0000076089999999 0.00001701 0.000038049999999 0.000085069999999 107-19-7 7859 144208174 A Ac Propargyl alcohol C#CCO Tox21_200976 -NCGC00168342-02 196715350 tox21-ror-cho-viability-p1 set2 4 -0.52634977 1.78907386 -0.50093138 2.43783686 3.02069217 -2.43046258 0.16660832 -0.57809462 2.25823676 2.23192857 -3.46309589 0.14812437 1.04830237 -0.55734192 1.73992589 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00258170-01 196715357 tox21-ror-cho-viability-p1 set2 4 0.0000273379 -48.70615226 -30.65271022 -12.77331864 -14.89822529 -7.9821375 -1.001427 -6.24970885 -7.4320781 -6.20707183 -5.8039023 -3.89634844 -2.07469673 -4.70602885 -1.39721341 -1.89335336 1.1919999999E-9 2.6649999999E-9 5.959E-9 1.332E-8 2.979E-8 6.662E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.0000016659999999 0.000003724 0.0000083279999999 0.00001862 0.00004164 0.00009311 370865-80-8 16213711 144207814 A A 1-Butyl-1-methylpyrrolidinium dicyanamide CCCC[N+]1(C)CCCC1.N#C\N=C=[N-] Tox21_200616 -NCGC00258062-01 196715755 tox21-ror-cho-viability-p1 set2 4 61.3171122755 -10.184484432 1.5 -8.684484432 2.6384283767 0.5982209535 0.1009580074 -0.07027787 0.92603216 4.88456112 3.67508954 2.52932553 0.76271816 2.77817333 0.32604718 0.50044861 0.31072209 -0.80420423 3.04057313 -0.75266123 -0.83742685 -5.98707036 1.183E-9 2.644E-9 5.913E-9 1.322E-8 2.9559999999E-8 6.611E-8 1.4779999999E-7 3.305E-7 7.3909999999E-7 0.0000016529999999 0.0000036949999999 0.000008263 0.00001848 0.00004132 0.00009239 613-50-3 11945 144207706 A A 6-Nitroquinoline [O-][N+](=O)c1ccc2ncccc2c1 Tox21_200508 -NCGC00258074-01 196715756 tox21-ror-cho-viability-p1 set2 4 5.24784385 1.86984083 3.59066592 -0.67930933 2.16861924 1.36170931 4.20133769 2.208419 -0.57366282 -1.53020647 0.09868234 2.30280416 3.6613854 -0.13035335 3.12637817 1.221E-9 2.7299999999E-9 6.104E-9 1.365E-8 3.052E-8 6.824E-8 1.526E-7 3.412E-7 7.629E-7 0.0000017059999999 0.000003815 0.00000853 0.00001907 0.00004265 0.00009537 13755-29-8 4343483 144207718 Sodium tetrafluoroborate [Na+].F[B-](F)(F)F Tox21_200520 -NCGC00015610-17 196712470 tox21-ror-cho-viability-p1 set2 4 -2.10244456 -3.41032293 -2.63996768 -3.41372117 -5.42732633 -2.21473556 -2.32125249 -3.51960748 -2.70487488 -2.43454226 -4.40481402 -4.17047001 -7.26123076 -5.44739048 -9.91263645 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 75706-12-6 3899 170464823 A Leflunomide Cc2oncc2C(=O)Nc1ccc(cc1)C(F)(F)F Tox21_110182_1 -NCGC00357051-01 196712058 tox21-ror-cho-viability-p1 set2 4 -4.00862202 -4.44178769 -15.17891092 -8.52258849 -2.43365662 -2.83604933 -1.51623583 -13.1300433 -35.48744839 -4.97238115 0.4160914 -7.72789613 -0.03731237 -2.24407572 12.28656333 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 83-56-7 6749 251919955 I 1,5-Dihydroxynaphthalene Oc2cccc1c2cccc1O Tox21_303746 -NCGC00094557-06 196712465 tox21-ror-cho-viability-p1 set2 4 4.41379887 4.39796938 -0.49939194 0.40057781 1.66288728 1.45142965 1.59233946 1.56941012 2.09052836 -0.42555892 0.67960516 0.43134422 0.40002441 1.26656289 0.05184067 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3011-89-0 2075 170466191 A 2-Chloro-4-nitrobenzamide O=C(N)c1ccc(cc1Cl)[N+]([O-])=O Tox21_111296_1 -NCGC00253757-01 196712469 tox21-ror-cho-viability-p1 set2 4 -2.47876096 -1.02615505 -1.08309093 0.44615161 -2.08466495 1.36909404 1.32531142 0.52392783 -2.94589513 -2.73840782 2.25672432 -3.89056201 -4.29077483 -1.42280795 -1.59722135 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 124-28-7 15365 170466566 Fc Fns N,N-Dimethyl-1-octadecanamine CN(C)CCCCCCCCCCCCCCCCCC Tox21_113870 -NCGC00163953-03 196712471 tox21-ror-cho-viability-p1 set2 -2.4 68.5896218971 -34.2543418319 2 -32.2543418319 4.9549173134 0.9335008966 0.0000393652 0.51432746 1.89773273 5.33938914 3.68778719 4.39859149 2.10473339 4.10480518 -0.57224583 0.85442462 0.73766451 0.14401653 0.1884996 0.0193089 1.64496754 -26.04528486 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00159326-03 196712475 tox21-ror-cho-viability-p1 set2 4 0.08524584 -0.02017266 0.53664242 -0.32972931 1.3218006 4.34321297 1.52143616 1.17864209 -0.00985645 0.92148238 0.57639143 3.68090642 0.65726136 2.89623254 5.16666986 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 859-18-7 64710 170465252 A Lincomycin hydrochloride Cl.O[C@@H]1[C@@H](O)[C@@H](O)[C@H](O[C@@H]1SC)[C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@@H](C)O Tox21_111575_1 -NCGC00159406-12 196712880 tox21-ror-cho-viability-p1 set2 4 -0.35547605 -0.13974261 -2.42086716 -1.02032772 -0.43221923 -0.58798557 -1.77329296 -0.72101011 -1.91778657 -0.14249956 -1.40482439 -1.38936435 1.25193636 1.16047612 1.37524026 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69815-49-2 12305037 170465227 Z Noradrenaline bitartrate monohydrate Oc1ccc(cc1O)[C@@H](O)CN.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O Tox21_111640_1 -NCGC00255396-01 196701120 tox21-ror-cho-viability-p1 set1 4 0.0351635 -0.68146376 -4.30189662 -2.04208316 0.43196844 -4.96900495 -3.21803787 0 0.31387036 -1.89839521 1.56738505 0.63383353 2.70543993 4.40032892 0.63999734 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-53-7 10695 144212547 A F 1,2,3,5-Tetramethylbenzene Cc1cc(C)c(C)c(C)c1 Tox21_302230 -NCGC00255248-01 196701121 tox21-ror-cho-viability-p1 set1 4 2.26671813 1.55081918 1.0949536 1.62006049 1.49456604 2.64053925 0.47500654 -0.50292626 2.12849974 1.14805442 1.72401807 2.25855864 1.15547132 2.20787376 1.45068716 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66346-01-8 94617 144212305 A Ac 1-(4-Chlorophenyl)-4,4-dimethyl-pentan-3-one Clc1ccc(CCC(=O)C(C)(C)C)cc1 Tox21_301988 -NCGC00094521-05 196701123 tox21-ror-cho-viability-p1 set1 4 4.3277125691 -29.959362608 6 -23.959362608 0.2 0.5877334653 0.1059820757 0.38650406 2.84132509 1.20211025 -1.88588931 -0.45769006 -4.11478944 -5.6009212 -8.13726324 -13.75406989 -3.93476631 -2.43817369 -8.19705333 -3.29911454 -17.04507088 -18.29946884 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00183014-01 196698245 tox21-ror-cho-viability-p1 set1 4 -3.29940241 -8.32008302 0.88573865 -0.38608053 0.77239819 -0.95690887 -0.28549879 -0.15064819 -2.92857995 -0.4111603 0.7963204 0.83381486 -0.29229459 1.06513148 0.2763688 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3772-76-7 19596 144206847 A A Sulfamethomidine Cc2nc(NS(=O)(=O)c1ccc(N)cc1)cc(OC)n2 Tox21_113296 -NCGC00090903-11 196698239 tox21-ror-cho-viability-p1 set1 4 4.59500589 5.46733516 -3.77778451 -0.93095656 4.60844137 -1.50084065 -1.06010509 6.0288423 -0.69781634 -1.47228094 3.6478822 0.38738577 4.42255673 0.48374527 3.17127116 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 599-79-1 5359476 170464716 A Sulfasalazine O=S(=O)(Nc1ccccn1)c3ccc(/N=N/c2cc(C(=O)O)c(O)cc2)cc3 Tox21_111037_1 -NCGC00159368-05 196698241 tox21-ror-cho-viability-p1 set1 4 -1.81144091 -2.26710013 0.08758119 0.23846101 -1.7222079 0.85061776 -1.92556086 1.36548241 1.74939132 -1.60390277 7.39641729 -1.82044607 -1.0121664 1.08816574 6.95039473 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 36653-82-4 2682 170465348 F 1-Hexadecanol CCCCCCCCCCCCCCCCO Tox21_111609_1 -NCGC00091663-03 196698244 tox21-ror-cho-viability-p1 set1 4 -2.03455835 -1.07271311 1.1329648 2.50935235 -5.41617826 0.63367287 -0.4157617 -1.14806915 -0.75818503 -4.01623259 -6.42721219 -1.16217688 -0.60950918 2.02279541 -2.22602554 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00166218-02 196698644 tox21-ror-cho-viability-p1 set1 -2.4 11.8832183006 -25.1601317959 0 -25.1601317959 1.59358881 0.9615985227 0.0000019631 1.01300961 -0.52946168 -1.36774054 3.45423733 0.30325256 -2.22838572 -2.651342 0.75089851 0.0485968 -0.32170108 -0.38982528 -4.68606915 -9.5821448 -17.6351827 -23.05010983 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 587-90-6 9509 170465744 B 4,4'-Dinitrodiphenylurea O=C(Nc1ccc(cc1)[N+]([O-])=O)Nc2ccc(cc2)[N+]([O-])=O Tox21_112354_1 -NCGC00090868-05 196698647 tox21-ror-cho-viability-p1 set1 4 -1.13678649 -2.05539077 0.28816405 0.81251112 -3.63745604 -1.60344401 -2.72850865 -1.75921187 -1.23377738 -1.77090057 -3.19727529 -2.00097167 -4.74442847 -2.26019617 1.70633564 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 151-67-7 3562 170464645 F Halothane BrC(Cl)C(F)(F)F Tox21_111033_1 -NCGC00015397-10 196698654 tox21-ror-cho-viability-p1 set1 4 2.0775276 0.88044995 6.08881965 0.67595979 2.37720311 3.25352506 0.53104147 1.34223449 -0.12489692 3.7936656 -4.97976425 5.07039313 3.48266024 5.52648475 3.41892746 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 304-84-7 9363 170466295 A Ethamivan Oc1ccc(cc1OC)C(=O)N(CC)CC Tox21_110135_1 -NCGC00254745-01 196698662 tox21-ror-cho-viability-p1 set1 4 2.10533243 2.96800363 1.40908474 3.71493276 -0.28219196 3.47574094 4.48294648 2.74679204 4.41284283 2.48491643 4.565491 0.07460965 0.0247758 4.09424792 2.27686855 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 122-99-6 31236 144211159 A A 2-Phenoxyethanol OCCOc1ccccc1 Tox21_300842 -NCGC00254771-01 196699063 tox21-ror-cho-viability-p1 set1 4 21.6678872078 -5.0059819999 0 -5.0059819999 4.0949729863 0.3543001742 0.3201947335 0.613517 -1.26711283 -2.84720618 -3.39150493 -2.45469817 2.68865021 -0.91768498 2.965229 5.14736396 0.31811024 -1.3985603 0.7456895 -2.02477046 -4.37114086 -5.004985 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 40487-42-1 38479 144211184 A A Pendimethalin [O-][N+](=O)c1c(C)c(C)cc([N+]([O-])=O)c1NC(CC)CC Tox21_300867 -NCGC00254950-01 196699070 tox21-ror-cho-viability-p1 set1 4 1.72098636 6.20581553 -0.05078532 0.49439773 3.84977392 0.11490761 5.01063039 4.69521941 7.62264943 5.0351155 4.08933012 0.97536234 3.5399576 1.11343112 4.96936037 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1918-02-1 15965 144211365 A A Picloram Nc1c(Cl)c(nc(Cl)c1Cl)C(=O)O Tox21_301048 -NCGC00256788-01 196718850 tox21-ror-cho-viability-p1 set2 4 0.086349218 4.1251338159 -0.1251338159 4 4.4494702849 0.3289549552 0.3434430205 0.90450954 0.75165515 -0.81400326 0.01820727 -0.41465683 0.33551975 5.37554789 7.17889558 2.31561655 1.86770225 -1.35427818 9.3657146 5.97098265 2.44220268 0.94331473 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7779-78-4 62661 144212974 B A 4-Methyl-1-phenyl-2-pentanol OC(Cc1ccccc1)CC(C)C Tox21_302657 -NCGC00257005-01 196718858 tox21-ror-cho-viability-p1 set2 4 0.63665376 -1.89076612 2.1399674 1.70879232 -12.15479429 -4.86497926 -5.87942806 -3.20723141 -2.46731416 -4.42198432 -2.44860214 -5.16436926 1.85980098 -1.42976293 1.34658955 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1809-19-4 6327349 144213381 F Ac Dibutyl phosphite CCCCOP(=O)OCCCC Tox21_303064 -NCGC00090965-04 196718446 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -11.4245773599 -1 -12.4245773599 2.3331733767 0.4076562471 0.2679230548 -1.03137143 -4.12704747 -2.45051081 -1.37989922 -2.69363179 0.70397844 0.21820138 0.75915575 -3.7926961 0.10737585 3.83649894 1.27200533 -5.09451913 -1.29568271 -8.6871478 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00256396-01 196718448 tox21-ror-cho-viability-p1 set2 -2.1 30.6378586933 -80.3791591116 -2.15505327 -82.5342123816 1.34431 0.9354334425 0.0000334454 -0.52902716 -2.7137391 -2.28421216 -3.53428533 -1.59049059 -4.99315153 -1.82789254 -0.84038281 -1.24976137 0.12996568 -2.22319795 -27.75499941 -26.22032106 -40.58733195 -76.42056702 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-00-7 6 144213119 A A 1-Chloro-2,4-dinitrobenzene O=[N+]([O-])c1cc(ccc1Cl)[N+]([O-])=O Tox21_302802 -NCGC00257325-01 196718859 tox21-ror-cho-viability-p1 set2 4 -1.25453568 -1.0264607 -4.1135073 -1.33331184 -12.86941986 -4.51875941 -1.32376543 -2.23967326 -2.70090472 -3.065883 -2.48468809 1.03614973 -2.78076587 -2.53090684 -0.56112087 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3452-97-9 18938 144213905 A A 3,5,5-Trimethyl-1-hexanol CC(C)(C)CC(C)CCO Tox21_303600 -NCGC00256680-01 196718863 tox21-ror-cho-viability-p1 set2 4 -2.0166982 -5.38062293 0.53971079 2.67676055 -1.02386109 -2.78184575 -6.68808599 1.11406742 2.5956894 -1.51511312 -3.42532109 -6.71770507 -4.2793056 1.22067152 -6.234802 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21722-83-8 30771 144212769 A Ac 2-Cyclohexylethyl acetate CC(=O)OCCC1CCCCC1 Tox21_302452 -NCGC00256975-01 196718865 tox21-ror-cho-viability-p1 set2 4 76.9588215421 11.13014438 -2.13014438 9 4.9549173134 0.4633822227 0.2142881877 0.34902465 -4.58439464 0.45477782 -4.33011943 -1.67936211 -6.35845365 -5.01182181 -2.01597366 -5.06481769 0.20833643 0.2813331 0.2750957 -0.69434931 -3.648749 6.55649365 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 192-97-2 9128 144213502 A A Benzo(e)pyrene c3ccc2ccc1cccc4c1c2c3c5ccccc45 Tox21_303185 -NCGC00257271-01 196718871 tox21-ror-cho-viability-p1 set2 -2.2 48.5577336745 -68.2352510564 -2.860176046 -71.0954271024 1.826479391 0.9382053682 0.0000264777 1.7304776 -0.31360191 0.96681414 -1.76867722 -4.49014215 -11.32644199 -0.64144267 -3.04377786 -6.25390262 -6.85944528 2.46886114 -6.21066842 -15.36083325 -28.7714239 -56.13289932 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 6088-51-3 22463 144213671 A A 6-Hydroxy-2-naphthyl disulfide Oc1ccc2cc(ccc2c1)SSc3ccc4cc(O)ccc4c3 Tox21_303354 -NCGC00257328-01 196719290 tox21-ror-cho-viability-p1 set2 4 -0.46216201 -0.656224 -8.01047626 1.03294056 -7.74846932 -0.78128928 -2.63388265 -3.46533697 1.37198758 -3.36592216 -2.08917682 -5.98101704 -5.10455788 -5.56591359 -5.53130861 9.733E-10 2.176E-9 4.8659999999E-9 1.088E-8 2.433E-8 5.4409999999E-8 1.2169999999E-7 2.72E-7 6.083E-7 0.00000136 0.0000030409999999 0.000006801 0.00001521 0.000034 0.00007604 7328-97-4 62630 144213708 D 2,2',2'',2'''-[Ethane-1,1,2,2-tetrayltetrakis(4,1-phenyleneoxymethylene)]tetraoxirane c2cc(OCC1CO1)ccc2C(c4ccc(OCC3CO3)cc4)C(c6ccc(OCC5CO5)cc6)c8ccc(OCC7CO7)cc8 Tox21_303396 -NCGC00257098-01 196719294 tox21-ror-cho-viability-p1 set2 4 43.2771256911 -8.776014452 0.5 -8.276014452 2.3331733767 0.7326698187 0.0260261756 -1.5819832 0.41559772 -0.72684572 0.47876156 0.98002207 -0.09287868 1.80619514 3.70895594 -0.76076193 -0.05472736 1.6746988 1.85080717 0.11337074 -4.04406738 -6.89667871 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 500-66-3 10377 144213649 A A Olivetol Oc1cc(CCCCC)cc(O)c1 Tox21_303332 -NCGC00257014-01 196719295 tox21-ror-cho-viability-p1 set2 4 -0.02257428 -0.97685031 -6.7817575 -6.10757147 -4.06689645 -4.00921982 -3.49178332 -3.21980125 -1.71538219 -2.19356585 -1.88460826 -1.43311952 -4.76345501 1.32666017 0.03411829 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-21-0 7489 144213546 A A Terephthalic acid OC(=O)c1ccc(cc1)C(=O)O Tox21_303229 -NCGC00256809-01 196719309 tox21-ror-cho-viability-p1 set2 4 0.53455226 0.79991347 3.01060506 -2.20186832 0.28002364 1.73104574 2.31670065 2.35823203 2.14192511 0.94732108 -0.11820314 5.82552363 4.30986366 1.56682889 2.43289386 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.052E-8 6.825E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 4312-99-6 61346 144213027 Fns 1-Octen-3-one C=CC(=O)CCCCC Tox21_302710 -NCGC00094937-04 196717215 tox21-ror-cho-viability-p1 set2 4 -5.09946813 -1.62979217 -1.26771201 -0.69530085 -0.98961694 -4.54987337 1.09414094 -1.18064468 -0.07209154 -2.32979916 0.84771868 -0.53081345 -2.35036938 -2.43148512 -1.66027738 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53716-49-7 2581 170464799 A Carprofen O=C(O)C(C)c1ccc2c3cc(Cl)ccc3nc2c1 Tox21_111363_1 -NCGC00260396-01 196724718 tox21-ror-cho-viability-p1 set3 4 3.7944040605 18.24746898 -7.74746898 10.5 0.2 0.4484023178 0.2269477041 -8.95622415 -0.0465607 -1.37298893 -7.54767028 -0.66652021 -5.77167858 2.03775996 1.91829132 0.75347933 0.52848603 -0.82610542 -0.07503368 2.4179615 -0.39482621 8.99918335 1.164E-9 2.602E-9 5.819E-9 1.301E-8 2.909E-8 6.5049999999E-8 1.4549999999E-7 3.253E-7 7.2729999999E-7 0.0000016259999999 0.0000036369999999 0.000008132 0.00001818 0.000040659999999 0.00009092 589-34-4 11507 144210048 Fns 3-Methylhexane CC(CC)CCC Tox21_202850 -NCGC00356999-01 196724298 tox21-ror-cho-viability-p1 set3 4 68.5896218971 8.5058122199 -2.5058122199 6 4.5044702849 0.305843728 0.3654906741 -3.73051791 -0.39863112 -7.08817685 -0.89047914 0.01205914 -0.11585927 -6.57594489 -5.10737743 -6.25421616 1.70497666 -2.37388563 -1.26170357 -1.59710584 -1.74633241 4.1810957 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140939-17-9 23695905 251919984 A Alachlor sec-oxanilic acid sodium salt [Na+].O=C(Nc1c(cccc1CC)CC)C([O-])=O Tox21_303888 -NCGC00260350-01 196724300 tox21-ror-cho-viability-p1 set3 4 0.0043894003 13.024940352 -7.524940352 5.5 0.6999999999 0.5833569433 0.1101200659 -4.60411696 -0.9796311 0.49529528 0.78109493 1.26538126 3.27259741 5.2541328 7.18449806 4.09046665 3.50378553 8.93143591 5.27343975 3.56403706 -0.17406975 11.01517658 1.194E-9 2.6689999999E-9 5.969E-9 1.335E-8 2.9839999999E-8 6.6729999999E-8 1.4919999999E-7 3.337E-7 7.4609999999E-7 0.000001668 0.0000037309999999 0.000008342 0.00001865 0.00004171 0.00009326 14075-53-7 518872 144210002 Potassium tetrafluoroborate [K+].F[B-](F)(F)F Tox21_202804 -NCGC00357208-01 196724717 tox21-ror-cho-viability-p1 set3 4 0.0068589622 6.892268356 -4.892268356 2 2.4063783767 0.3534887778 0.3182303984 -6.16022363 -2.52158521 -2.94414523 1.11604055 3.94882348 1.9568437 4.2623984 7.01169352 -2.93208913 -4.17544095 7.30074474 -1.87653075 1.49412198 0.9828234 3.00005624 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5103-74-2 12303039 251919740 trans-Chlordane ClC2=C(Cl)[C@]3(Cl)[C@H]1C[C@@H](Cl)[C@H](Cl)[C@H]1[C@@]2(Cl)C3(Cl)Cl Tox21_303985 -NCGC00021876-04 196725124 tox21-ror-cho-viability-p1 set3 4 -0.55849858 -3.27525399 1.21049209 -0.72960836 -10.21621461 2.14797806 -10.90819919 5.84407094 -1.74578762 2.85375134 3.0987093 2.93653701 3.02781188 0.89371445 3.15546505 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 115-02-6 5284344 170466537 F Azaserine OC(=O)[C@@H](N)COC(=O)/C=[N+]=[N-] Tox21_110833_1 -NCGC00160518-03 196725526 tox21-ror-cho-viability-p1 set3 1.2 0.5171419005 40.1047452601 1.2480554439 41.352800704 1.331 0.9463487708 0.0000123461 -1.41012752 2.28610989 -4.79328713 -0.4518187 4.97526094 -1.58272429 10.80460044 10.64589067 5.70090829 15.24980839 30.94603835 37.86526971 38.6143365 42.6819056 38.18441688 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 113617-63-3 60605 170465644 A Orbifloxacin C[C@@H]1CN(C[C@H](C)N1)c2c(F)c(F)c3c(c2F)N(C=C(C3=O)C(=O)O)C4CC4 Tox21_111867_1 -NCGC00016000-18 196725528 tox21-ror-cho-viability-p1 set3 -1.1 0.26603212 -56.3260156874 0.6747449319 -55.6512707555 4.9549173134 0.9760371799 1.345E-7 1.68518188 4.8689519 -2.41220946 -2.40727252 -0.16175169 0.90372316 1.32456805 -1.43113189 -49.0755474 -63.38359878 -52.22316339 -47.03407889 -62.4039511 -56.60576966 -50.55344995 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97-77-8 3117 170464767 A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_110280_1 -NCGC00022697-03 196725538 tox21-ror-cho-viability-p1 set3 4 -1.99927466 0.53085921 -1.92161551 3.54883919 0.07134404 4.53180882 2.31574687 0.04779173 5.14680615 4.28427829 4.65462809 4.28588624 3.61202426 2.4986961 -1.75798496 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 155-41-9 5459110 170464623 A Scopolamine methylbromide [Br-].OC[C@H](c1ccccc1)C(=O)O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N+]3(C)C Tox21_110037_1 -NCGC00184998-02 196725540 tox21-ror-cho-viability-p1 set3 4 -0.4053636 -2.22630138 8.57067992 1.46597705 -0.17620166 -0.43010987 1.04306798 -1.74648028 -3.9702968 -4.50956645 -2.82349312 0.56019234 -3.21200142 0.46070807 1.12385571 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 86197-47-9 55483 170466408 A Dopexamine Oc2ccc(CCNCCCCCCNCCc1ccccc1)cc2O Tox21_113031_1 -NCGC00016013-06 196725544 tox21-ror-cho-viability-p1 set3 4 0.68774282 1.17662598 -2.13789494 -0.48456893 0.67288134 -0.0929633 10.1184957 -1.1835939 5.72152391 0.62471779 -0.06638387 6.93162944 2.97818122 1.24613135 7.32425974 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 521-78-8 5282318 170465260 A Trimipramine maleate O=C(O)/C=C\C(=O)O.CN(C)CC(C)CN2c3ccccc3CCc1ccccc12 Tox21_110449_1 -NCGC00274073-01 196725949 tox21-ror-cho-viability-p1 set3 4 -1.00397514 2.87537083 -0.843543 -0.75525934 1.55330009 2.70571691 2.43781095 -0.46443591 1.36761489 3.41710613 2.21786897 6.22311919 -0.0316537 1.94167065 2.33529635 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1188-38-1 121396 170466164 A N-Carbamyl-L-glutamic acid O=C(N)N[C@@H](CCC(=O)O)C(=O)O Tox21_112544_1 -NCGC00257356-01 196726436 tox21-ror-cho-viability-p1 set3 4 0.0297785258 7.0319074719 -1.0319074719 6 3.5117481694 0.8354762219 0.0034881284 -0.48523651 0.0400366 -0.84567753 0.39521032 -2.52658956 -0.38740223 8.04406603 7.6538081 4.6171797 6.11316244 7.48021987 4.66799412 4.77075683 4.63992835 7.55190663 4.011E-10 8.9689999999E-10 2.006E-9 4.485E-9 1.003E-8 2.2419999999E-8 5.014E-8 1.121E-7 2.507E-7 5.606E-7 0.000001253 0.0000028029999999 0.000006267 0.00001401 0.00003134 120511-73-1 2187 144213873 A A Anastrozole N#CC(C)(C)c1cc(cc(c1)C(C)(C)C#N)Cn2cncn2 Tox21_303568 -NCGC00015957-06 196725626 tox21-ror-cho-viability-p1 set3 1.2 5.9557173066 61.7534978979 -3.4600183239 58.293479574 4.9549173134 0.9671563614 0.0000024064 -1.2473543 -8.30001527 -3.11702696 -1.68179401 1.17572632 -2.52883857 -1.50457224 1.63230891 -7.87943378 -6.93377736 -2.03075393 0.55600287 53.97544405 52.08953082 20.85367095 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104076-39-3 11957725 170466873 A Zolantidine dimaleate O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O.c1cccc2sc(nc12)NCCCOc4cc(CN3CCCCC3)ccc4 Tox21_111285_1 -NCGC00254100-01 196714123 tox21-ror-cho-viability-p1 set2 4 0.58466011 -1.99833109 0.05710504 -1.34360901 2.43442077 -1.37313488 1.77875848 -0.29054615 1.35784988 0.18402114 1.56517406 2.53487791 3.78716286 2.32085037 4.21496724 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33703-08-1 6427097 144210611 D Hexanedioic acid, diisononyl ester CC(C)CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C Tox21_300291 -NCGC00183016-01 196713721 tox21-ror-cho-viability-p1 set2 4 2.68877039 3.45472887 -0.44101076 2.51665624 0.70134447 0.97123172 0.35192753 0.28146677 0.97540946 0.95102227 -1.14170428 4.58512034 0.07253432 2.18872885 0.40684728 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82547-58-8 5464257 144206853 B B Cefteram Nc1scc(n1)/C(=N\OC)C(=O)N[C@@H]4C(=O)N3C(=C(Cn2nc(C)nn2)CS[C@@H]34)C(=O)O Tox21_113302 -NCGC00254720-01 196714135 tox21-ror-cho-viability-p1 set2 4 1.11106722 -1.04360017 -0.62943479 -1.00401233 0.99528315 2.31683577 0.84392242 -0.36797068 0.65486061 2.09480457 0.82042172 3.97143667 4.83233971 2.82719304 5.23611127 1.173E-9 2.622E-9 5.863E-9 1.311E-8 2.9319999999E-8 6.5549999999E-8 1.466E-7 3.2779999999E-7 7.329E-7 0.0000016389999999 0.000003665 0.000008194 0.00001832 0.000040969999999 0.00009161 826-36-8 13220 144211133 A Ac 2,2,6,6-Tetramethyl-4-piperidone O=C1CC(C)(C)NC(C)(C)C1 Tox21_300816 -NCGC00254330-01 196714140 tox21-ror-cho-viability-p1 set2 4 0.0243365162 -4.7897166679 0 -4.7897166679 4.9549173134 0.3299657192 0.3566993883 -0.92282512 -0.04828774 0.4669386 0.76578133 -3.60685289 -4.21124541 -3.27771205 -3.71173914 -6.11514769 -12.32476389 1.4530495 -6.44067304 -0.90062877 -5.64986692 -2.2492635 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 924-16-3 13542 144210743 A Bc N-Nitrosodibutylamine CCCCN(CCCC)N=O Tox21_300425 -NCGC00254440-01 196714535 tox21-ror-cho-viability-p1 set2 -2.4 48.5577336745 -31.058667088 1.5 -29.558667088 2.7202212143 0.9826996338 2.06E-8 0.57922244 1.39835721 2.04367824 2.45492788 1.67189136 2.02571191 2.55196595 0.648604 3.95308631 2.10126357 0.868345 -0.25709889 -0.21070199 -10.74456757 -25.04888924 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97322-87-7 5591 144210788 A A Troglitazone Cc1c(O)c(C)c(C)c2OC(C)(CCc12)COc4ccc(CC3SC(=O)NC3=O)cc4 Tox21_300470 -NCGC00090702-02 196714545 tox21-ror-cho-viability-p1 set2 4 -3.0859344 -1.6533223 -0.47596892 -0.70483872 0.44262142 -0.20483859 0.1566303 2.48450714 -1.54636547 -0.22019401 0.37332523 3.65977799 4.14055511 3.47164603 3.44977599 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00254703-01 196714552 tox21-ror-cho-viability-p1 set2 4 0.54166389 0.00518087 -0.53316771 2.39471225 2.44019755 2.52610099 4.56012163 2.19167486 -0.43881783 2.58366837 1.22261635 6.4377607 4.19014983 6.55484942 2.97019557 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2425-77-6 95337 144211116 A Ac 2-Hexyl-1-decanol CCCCCCC(CCCCCCCC)CO Tox21_300799 -NCGC00254287-01 196714960 tox21-ror-cho-viability-p1 set2 4 -0.47381038 -3.06847383 -8.29379166 -3.22922303 -5.56934206 -2.44969556 -9.59128552 -4.44858064 0.78446618 -6.65809985 -3.68305056 -12.17710735 -6.75691623 -2.31017648 -3.27294818 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-30-9 7797 144210700 AC Fns Ethyl heptanoate O=C(CCCCCC)OCC Tox21_300382 -NCGC00254747-01 196714966 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -14.520651048 1 -13.520651048 4.9549173134 0.8731687257 0.0010585129 -0.27318645 -0.02039156 2.87377419 1.38105971 0.52943803 3.65098572 1.51560027 0.49361352 2.13206096 0.52972531 1.364715 -0.77438831 0.94389948 0.60828544 -10.85054254 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124495-18-7 3391107 144211161 A A Quinoxyfen Fc1ccc(cc1)Oc2ccnc3cc(Cl)cc(Cl)c23 Tox21_300844 -NCGC00258163-01 196715363 tox21-ror-cho-viability-p1 set2 4 13.6854287769 -13.792863764 0 -13.792863764 3.1319983358 0.9455422664 0.0000135548 0.52967146 -0.72368135 -0.94557557 1.57013684 0.87884206 -1.14213147 0.9776799 -0.58956739 -0.9599919 -1.45484301 -0.15365476 0.4532448 -11.61743827 -13.57738647 -13.16440311 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041219999999 0.00009218 186088-50-6 2734176 144207807 A A 1-Butylpyridinium hexafluorophosphate F[P-](F)(F)(F)(F)F.CCCC[n+]1ccccc1 Tox21_200609 -NCGC00357281-01 196711250 tox21-ror-cho-viability-p1 set2 4 1.16348312 1.06243956 -0.49429459 1.60837271 -0.63598949 3.58536365 5.07991763 3.29965769 -0.41599192 1.10921903 1.35748649 2.86193567 2.02071269 2.1456425 2.40238725 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3424-82-6 246598 251919667 A o,p'-DDE Clc2ccccc2\C(=C(/Cl)Cl)c1ccc(Cl)cc1 Tox21_304022 -NCGC00260617-01 196711234 tox21-ror-cho-viability-p1 set2 -3 0.26603212 -51.6865238124 -1.329260714 -53.0157845264 4.0449729863 0.9922468729 0.000008969 -0.76418191 -0.11229042 -1.39233097 -4.22923145 -0.41143445 -1.74210432 -1.40184836 -8.04450943 -42.05741252 -6.80003844 -0.05844686 -4.50910853 -7.58997629 -1.49575268 -19.35376689 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49513 144210270 M M NTP Mix20 AR1 8-EQC Tox21_203072 -NCGC00255531-01 196700748 tox21-ror-cho-viability-p1 set1 -1.1 1.5355303643 -111.0432182234 6.5900314789 -104.4531867445 0.5 0.9773145584 9.81E-8 -2.17866125 2.79401028 4.60332495 2.41069065 -6.55384988 -15.07919005 -20.5077286 -29.21156702 -39.63121247 -51.48360969 -57.29346857 -61.41434812 -89.48303628 -93.59604547 -84.92307919 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2767-54-6 17701 144211722 A Triethyltin bromide Br[Sn](CC)(CC)CC Tox21_301405 -NCGC00255210-01 196700319 tox21-ror-cho-viability-p1 set1 -2.1 70.7613613111 -104.617927185 -3.4396820869 -108.0576092719 3.5722481694 0.9652320726 0.0000011169 -10.14870231 0.02044444 1.97157065 -4.81259701 0.60177306 0.37836643 -11.60302375 1.64664452 -4.15471883 -0.14656749 -5.13529186 -6.30925524 -6.99918462 -21.20778442 -87.42525022 1.3329999999E-9 2.981E-9 6.665E-9 1.49E-8 3.3329999999E-8 7.452E-8 1.666E-7 3.726E-7 8.332E-7 0.000001863 0.000004166 0.000009315 0.00002083 0.00004658 0.0001041 63449-41-2 31202 144212150 F F Benzyl-C8-18-alkyldimethylammonium chlorides [Cl-].C[N+](C)(Cc1ccccc1)CCCCCCCCCCCCCCCC Tox21_301833 -NCGC00255260-01 196700329 tox21-ror-cho-viability-p1 set1 4 0.76896833 -2.24874215 0.31475669 4.25487693 4.80000542 2.70242642 3.10849826 -0.97668676 0.91188507 2.88137067 0.46640748 2.09586032 4.12103411 2.71150909 4.61509348 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 593-08-8 11622 144212155 A F 2-Tridecanone CC(=O)CCCCCCCCCCC Tox21_301838 -NCGC00090965-04 196700330 tox21-ror-cho-viability-p1 set1 4 43.2771256911 -16.2268690599 1.5 -14.7268690599 2.7202212143 0.8470368266 0.0024982664 4.36911996 -1.11783843 0.02291321 0.19667946 1.36015151 -1.17062198 2.39416858 2.23378639 2.1974514 4.30769449 0.00206337 0.38304957 0.93972308 -6.3231725 -12.68905755 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00255446-01 196701148 tox21-ror-cho-viability-p1 set1 4 -0.86780503 2.29646867 1.97680832 24.49256525 1.32487097 -0.14273708 1.09600049 3.63017079 -1.80572094 3.08404107 1.43267845 -0.83622791 2.10388463 -0.74898834 -7.01694121 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 459-57-4 68023 144212439 F A 4-Fluorobenzaldehyde O=Cc1ccc(F)cc1 Tox21_302122 -NCGC00255795-01 196701161 tox21-ror-cho-viability-p1 set1 4 2.4336516212 -14.137314608 -0.5 -14.637314608 0.3 0.426871727 0.2642734997 -1.12795828 -1.69143594 -6.56032274 1.97551578 -6.83394955 1.40322917 -9.11301438 -9.23923991 -6.39767674 -2.2360021 -6.64956199 -9.08085458 -11.36442884 -10.4245978 -6.55605258 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4620-70-6 78361 144212375 F A 2-(tert-Butylamino)ethanol CC(C)(C)NCCO Tox21_302058 -NCGC00255648-01 196701162 tox21-ror-cho-viability-p1 set1 4 0.73380624 -0.28773035 1.5814582 0.84370195 -3.79281823 -1.97165848 -0.76078681 -1.83437379 -1.75680442 -1.53069089 -0.84592919 -2.87115211 -3.29791184 -2.72866552 2.58056354 1.241E-9 2.775E-9 6.2049999999E-9 1.388E-8 3.1029999999E-8 6.9379999999E-8 1.5509999999E-7 3.4689999999E-7 7.7569999999E-7 0.0000017339999999 0.000003878 0.000008672 0.00001939 0.00004336 0.00009696 56-34-8 5946 144212446 A Tetraethylammonium chloride [Cl-].CC[N+](CC)(CC)CC Tox21_302129 -NCGC00160541-02 196697848 tox21-ror-cho-viability-p1 set1 4 -4.02246122 -0.28731435 0.33279291 0.22003816 0.39030414 -3.97395425 -0.60264473 -0.30979178 0.55736745 -1.60318989 -3.17649505 -3.9244254 -3.11961121 -0.08543457 -0.49277297 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 109543-76-2 71321 170466072 A Romazarit O=C(O)C(C)(C)OCc1oc(nc1C)c2ccc(Cl)cc2 Tox21_111884_1 -NCGC00260271-01 196724009 tox21-ror-cho-viability-p1 set3 4 0.0016739524 20.008116744 -17.008116744 3 4.9549173134 0.543023618 0.1415569458 -12.92343062 1.7152839 0.64660171 -4.79950214 2.37383949 1.79284304 3.67495207 1.13035347 4.92151442 3.46161833 7.82116854 -3.32733342 4.70512551 4.91361586 10.07427595 1.268E-9 2.8359999999E-9 6.342E-9 1.4179999999E-8 3.171E-8 7.09E-8 1.585E-7 3.5449999999E-7 7.9269999999E-7 0.0000017729999999 0.000003964 0.000008863 0.00001982 0.00004431 0.00009909 116-26-7 61041 144209921 A C 2,6,6-Trimethylcyclohexa-1,3-dienylmethanal CC=1C=CCC(C)(C)C=1C=O Tox21_202723 -NCGC00260577-01 196724013 tox21-ror-cho-viability-p1 set3 4 0.0007497804 18.580684096 -20.080684096 -1.5 4.9549173134 0.6279045817 0.078316178 -15.90057008 1.23745101 -3.41543466 -4.22920416 -7.22297009 -2.17645052 -1.32988992 0.27498751 2.86300323 -2.85815468 -3.54772876 -2.19716086 -2.58628984 -0.70037548 2.91519265 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49473 144210230 M M NTP Mix54 CT1 3-EQP Tox21_203032 -NCGC00016622-08 196697839 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -18.8688157919 -0.5 -19.3688157919 4.9549173134 0.7888094827 0.010065364 2.49514898 2.43006698 -2.63013129 0.04277175 1.32937099 -0.36006155 -0.51027808 -0.93703668 -2.68217285 -4.76284167 -0.85331551 -0.47630687 -3.78822904 -0.01791677 -16.97401316 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3105-97-3 3634 170466535 A Hycanthone CCN(CC)CCNc1ccc(CO)c2Sc3ccccc3C(=O)c12 Tox21_110531_1 -NCGC00091759-02 196697849 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -25.7605474879 -2 -27.7605474879 4.4494702849 0.7353468154 0.0242964703 -0.679715 4.87388002 -1.30998199 -3.70824843 2.39353771 -0.38303751 -1.57713372 -4.27221794 -2.1655506 -5.01299652 -4.02268686 -5.92260426 -1.31575516 -3.58985821 -19.80045624 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00253722-01 196697851 tox21-ror-cho-viability-p1 set1 4 -0.05644059 1.1309727 0.08020551 2.26313016 0.4679781 1.71566626 -1.51220304 -0.09031251 2.61504787 1.47876617 3.00465471 2.44969894 -1.03655272 -0.32620103 4.99094019 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6928-85-4 81349 170466745 Z F 4-Methyl-1-piperazinamine CN1CCN(N)CC1 Tox21_113841 -NCGC00259896-01 196721356 tox21-ror-cho-viability-p1 set3 4 43.7176041855 9.637763596 -4.137763596 5.5 3.0654483358 0.3353379832 0.335326247 -6.76062619 0.79376476 0.38784155 4.37537287 -6.328774 -8.44813633 -6.10081568 -6.32895457 -5.45802161 -5.47141497 -5.49353441 -5.51627063 -6.28277687 1.38553935 4.13997843 1.19E-9 2.6619999999E-9 5.9519999999E-9 1.331E-8 2.976E-8 6.655E-8 1.4879999999E-7 3.3269999999E-7 7.44E-7 0.0000016639999999 0.00000372 0.000008319 0.0000186 0.00004159 0.000093 93-15-2 7127 144209545 A A Methyleugenol COc1cc(ccc1OC)CC=C Tox21_202347 -NCGC00259981-01 196720961 tox21-ror-cho-viability-p1 set3 4 38.7277300935 8.6686122559 -5.1686122559 3.5 3.1319983358 0.5023239888 0.178686322 -8.05717688 -6.31348677 -2.81270775 0.42807264 -4.93779262 -4.01616719 -5.97048346 -5.76896715 -7.900115 -1.94149222 -6.28507755 -4.02652028 -6.36364171 -0.04994477 3.04269284 1.1839999999E-9 2.648E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.619E-8 1.4799999999E-7 3.309E-7 7.4E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.0000925 4075-81-4 19999 144209630 A Ac Calcium propionate [Ca+2].CCC(=O)[O-].[O-]C(=O)CC Tox21_202432 -NCGC00259479-01 196720966 tox21-ror-cho-viability-p1 set3 4 44.822031193 16.478083256 -8.978083256 7.5 3.1319983358 0.5300324133 0.152435115 -13.20031983 -10.31740124 -4.18330255 -5.08661303 -11.11781135 -13.17038548 -5.87621018 -2.59452537 -14.56506938 -3.77915401 -7.70020275 -11.89555434 -12.10364543 -0.12096063 5.77392891 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.794E-8 1.519E-7 3.397E-7 7.596E-7 0.0000016979999999 0.000003798 0.000008492 0.000018989999999 0.00004246 0.00009494 103-90-2 1983 144209128 A A Acetaminophen Oc1ccc(NC(C)=O)cc1 Tox21_201930 -NCGC00091284-03 196721352 tox21-ror-cho-viability-p1 set3 4 -5.13540591 2.35827532 -0.97997118 -3.81850424 -3.35009905 -3.0075039 -5.19773308 -3.4004294 -3.8477394 -2.85462882 -2.57096566 -3.65019712 -2.40964623 -1.71875833 -0.71033793 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00259727-01 196721361 tox21-ror-cho-viability-p1 set3 4 -4.41191655 -4.27269516 4.03996659 -0.54480324 -8.47017803 -7.07030633 -8.26663695 -1.73490424 -6.28574196 -0.56050379 -3.42521542 -4.34922194 -3.07451623 -4.0989807 -17.00420166 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.0000036909999999 0.000008252 0.000018449999999 0.000041259999999 0.00009226 10030-73-6 5282745 144209376 A A (E)-Hexadec-9-enoic acid O=C(O)CCCCCCC\C=C\CCCCCC Tox21_202178 -NCGC00259655-01 196721366 tox21-ror-cho-viability-p1 set3 4 -6.88497178 -3.41834501 0.32963504 -7.10948782 1.26813316 -7.63499039 -0.99293043 1.67162919 0.24645881 -3.93036485 1.43149251 -9.03583662 -2.86707511 -5.60049459 -3.79384878 1.1679999999E-9 2.6109999999E-9 5.838E-9 1.305E-8 2.919E-8 6.5269999999E-8 1.459E-7 3.2629999999E-7 7.297E-7 0.0000016319999999 0.000003648 0.0000081579999999 0.000018239999999 0.000040789999999 0.000091209999999 108-45-2 7935 144209304 A A 1,3-Benzenediamine Nc1cccc(N)c1 Tox21_202106 -NCGC00091080-03 196721368 tox21-ror-cho-viability-p1 set3 4 61.130564862 24.3463913719 -4.3463913719 20 2.3531167061 0.6315615903 0.0755861658 -2.29587711 -7.17260607 -13.62199281 -9.74389279 -1.8128388 -2.74455203 -4.32001576 -4.27856873 -4.53420612 -1.01337685 1.883309 -1.49828752 -2.30973581 2.36874291 13.90924468 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00256720-01 196718457 tox21-ror-cho-viability-p1 set2 4 0.273060203 4.5309438999 -4.0309438999 0.5 4.9549173134 0.4044394842 0.2705694921 -3.32268948 -4.00701106 -1.02248128 0.06204876 -9.19245325 -4.19816012 -5.30000798 -0.29396669 0.94272745 -2.9815493 1.02624617 -2.98357825 1.73121844 0.84517468 2.92653377 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1111-78-0 517232 144212826 Ammonium carbamate [NH4+].[O-]C(N)=O Tox21_302509 -NCGC00160657-03 196717648 tox21-ror-cho-viability-p1 set2 -2.2 23.7101376556 -45.2051521077 -1.079855763 -46.2850078707 2.4063783767 0.9690306447 5.827E-7 -3.53789206 1.94627894 -2.57316577 -0.62678287 -3.869295 1.06659328 -2.25532821 0.3533675 -2.44058647 -3.4599335 1.18753021 -0.52621848 -5.90942044 -19.38535875 -38.85227869 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26130-02-9 33334 170466453 A Frentizole COc2ccc3nc(NC(=O)Nc1ccccc1)sc3c2 Tox21_111964_1 -NCGC00262932-01 196718052 tox21-ror-cho-viability-p1 set2 4 1.91657273 3.01902447 2.50468463 0.04551931 4.75862305 3.09497804 0.89375568 2.86269358 3.67579446 1.65430956 -0.33875652 -0.18328261 1.11838223 1.81504199 1.74946604 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 125-13-3 31315 170466393 A A Oxyphenisatin Oc1ccc(cc1)C2(c3ccccc3NC2=O)c4ccc(O)cc4 Tox21_113927 -NCGC00013414-04 196718061 tox21-ror-cho-viability-p1 set2 4 -1.36650451 3.0315139 0.96240814 -1.25260399 -0.77720055 -1.25064681 -2.84241731 -0.44187224 -3.86574651 0.52039004 -2.13193277 -0.35551404 -1.30952451 -1.50088871 1.71114083 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23249-97-0 65708 170466381 A Procodazole O=C(O)CCc1nc2ccccc2n1 Tox21_110025_1 -NCGC00256323-01 196718477 tox21-ror-cho-viability-p1 set2 4 -0.69883058 0.16302813 3.98621706 6.36981715 3.01437268 0.67100964 3.53889473 5.46084336 -0.96561977 -3.44388403 -2.32242982 -1.30499809 -1.13439586 -1.53297911 0.75247313 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131-57-7 4632 144213169 A A 2-Hydroxy-4-methoxybenzophenone O=C(c1ccc(cc1O)OC)c2ccccc2 Tox21_302852 -NCGC00257060-01 196718480 tox21-ror-cho-viability-p1 set2 4 1.46343629 1.32410659 1.90305165 -0.05007764 -4.04511425 0.64954793 -0.29115787 1.56301611 -2.43878998 -3.82312898 -0.96255323 -3.87210993 -1.18468701 1.27017211 0.45570778 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-70-6 6549 144213354 A A Linalool CC(O)(C=C)CC\C=C(\C)C Tox21_303037 -NCGC00256968-01 196726778 tox21-ror-cho-viability-p1 set3 4 -1.92764616 2.3300822 -11.79880143 -5.27031445 -7.8478022 -23.95962072 -23.74401875 -23.08007741 -3.7570425 -20.62022039 -1.71075612 -3.92444077 0.38621047 -2.02903599 1.05132682 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 125-31-5 67172 144213379 A F p-Xylenol blue Cc1cc(c(C)cc1O)C3(OS(=O)(=O)c2ccccc23)c4cc(C)c(O)cc4C Tox21_303062 -NCGC00182987-01 196725962 tox21-ror-cho-viability-p1 set3 4 0.0237101377 6.511063628 0.488936372 7 4.9549173134 0.4159080631 0.2743823106 1.83365726 2.33891239 -0.61051154 0.77507406 -1.25921969 7.79694755 6.12321928 6.57273492 15.79619587 11.58020055 3.23768803 4.66118846 2.65198191 3.09128015 1.92960663 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 101973-77-7 127998 144206833 A A Esonarimod Cc1ccc(cc1)C(=O)CC(CSC(C)=O)C(=O)O Tox21_113282 -NCGC00160416-02 196726371 tox21-ror-cho-viability-p1 set3 4 -8.80404514 0 -6.74918905 3.69176214 -2.04591984 1.93436921 -6.3982491 3.28094675 -3.29973037 -0.52243806 0.63343275 -4.13894628 -1.04494147 -2.16059447 -4.19379614 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3689-76-7 71821 170466499 A Chlormidazole Clc1ccc(cc1)Cn2c3ccccc3nc2C Tox21_111799_1 -NCGC00015199-20 196726372 tox21-ror-cho-viability-p1 set3 -3 29.8492948118 -40.7300894118 3.1073852399 -37.6227041719 4.9549173134 0.8095611677 0.0064625943 0.84389604 0.01201562 0.61656656 -1.97422535 -3.6129126 0.61364893 4.80559095 14.41670839 5.1579654 2.53860573 5.4934849 2.66329021 10.52536917 -3.12552953 -33.43558681 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 305-03-3 2708 170464770 A Chlorambucil O=C(O)CCCc1ccc(cc1)N(CCCl)CCCl Tox21_110096_1 -NCGC00163927-04 196726799 tox21-ror-cho-viability-p1 set3 4 -2.73336323 0.97462727 0.05459942 0.67523428 -0.09124671 -1.40652322 1.18630552 -0.92451592 -0.46987925 -10.92569932 -1.12087338 -2.13535156 -1.81338384 1.50137154 1.04053457 1.203E-9 2.6889999999E-9 6.014E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003759 0.000008404 0.000018789999999 0.00004202 0.000093959999999 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00257083-01 196727192 tox21-ror-cho-viability-p1 set3 4 -2.70973035 1.65635456 1.21456477 3.89750605 4.20583238 3.02955801 3.14137092 2.0392732 -1.80354016 3.22906988 1.72013323 -2.32634865 4.16639491 3.32516279 1.21412848 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2855-13-2 17857 144213439 F Isophorone diamine NCC1(C)CC(C)(C)CC(N)C1 Tox21_303122 -NCGC00256561-01 196727620 tox21-ror-cho-viability-p1 set3 4 24.3365162115 10.2864446839 -0.2864446839 10 4.5044702849 0.4538620218 0.2213290269 9.99973201 4.8901951 -0.46533727 0.63888843 2.25865955 -1.80935116 -4.40537057 -2.4541503 -1.90698004 -2.95088243 -3.7988206 -2.77499431 2.31252001 9.06273501 9.69686128 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2216-51-5 16666 144213345 A A (1R,2S,5R)-(-)-Menthol CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O Tox21_303028 -NCGC00256394-01 196727622 tox21-ror-cho-viability-p1 set3 4 1.9331181962 -8.652345896 1 -7.652345896 4.9549173134 0.6254193275 0.0797180184 -0.13183129 1.9008259 0.98628469 1.53143959 1.34464722 1.89254095 -0.04560255 2.68386639 -1.69190771 -0.31262347 -14.29362158 -1.47720115 -2.45735436 -9.76407498 -11.62440809 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 75-47-8 6374 144213091 AC Iodoform IC(I)I Tox21_302774 -NCGC00256297-01 196728528 tox21-ror-cho-viability-p1 set3 4 2.62265759 15.65018125 10.35264279 0.56663074 0.15562883 2.92024992 12.68003839 -4.35479308 8.25554158 0.62637873 5.35415953 19.05687453 7.96928305 16.97485908 -4.77448292 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56275-01-5 91783 144212121 Fns Trimethylsilyl silicate C[Si](C)(C)O[Si](O)(O)O Tox21_301804 -NCGC00255294-01 196728120 tox21-ror-cho-viability-p1 set3 -1.1 30.6378586933 -103.6805715953 1.6114978685 -102.0690737268 4.9549173134 0.9893218619 1.2E-9 0.3987227 6.36138198 -2.58513156 7.3654719 -1.5407792 -0.41925674 2.72056738 -2.17843979 -0.3565995 6.51454111 -1.57084398 5.09596834 -7.46282802 -85.05906804 -100.06771934 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2062-78-4 16362 144211903 A A Pimozide Fc1ccc(cc1)C(CCCN2CCC(CC2)N3c4ccccc4NC3=O)c5ccc(F)cc5 Tox21_301586 -NCGC00255546-01 196728124 tox21-ror-cho-viability-p1 set3 4 0.79976987 -5.10403804 -2.50186848 -5.99306224 6.92728926 5.74487743 6.74609904 5.45864636 6.11656343 5.26145599 2.18948718 -4.57118539 -3.19890887 -3.64066877 0.14032008 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1469-48-3 92888 144212360 A A cis-1,2,3,6-Tetrahydrophthalimide O=C1NC(=O)[C@@H]2CC=CC[C@H]12 Tox21_302043 -NCGC00255347-01 196728128 tox21-ror-cho-viability-p1 set3 1.4 4.8557733675 18.345276576 -12.845276576 5.5 4.9549173134 0.7771779504 0.0123886525 -6.01869775 -9.518798 -7.81928562 -17.45376836 -10.58197333 -14.73118603 -20.28773048 -12.29670776 -15.57538845 -11.61351284 -11.41412001 11.77861023 6.03646784 3.73125059 0.56967289 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23564-06-9 3032792 144212226 A A Thiophanate S=C(Nc1ccccc1NC(=S)NC(=O)OCC)NC(=O)OCC Tox21_301909 -NCGC00257558-01 196715792 tox21-ror-cho-viability-p1 set2 4 -0.33861367 -3.81384546 0.67813 -1.64463458 1.38678296 -1.70692802 -0.50678564 0.85944051 -0.52201303 -2.76901368 2.1409925 1.42402972 -2.38494956 1.18899886 0.17719393 1.177E-9 2.6319999999E-9 5.884E-9 1.316E-8 2.942E-8 6.579E-8 1.471E-7 3.29E-7 7.356E-7 0.000001645 0.0000036779999999 0.000008224 0.00001839 0.000041119999999 0.000091939999999 3446-89-7 76985 144207202 A F 4-(Methylthio)benzaldehyde CSc1ccc(C=O)cc1 Tox21_200004 -NCGC00258520-01 196715784 tox21-ror-cho-viability-p1 set2 4 81.1251834709 -24.364697436 -9.16894876 -33.533646196 0.7 0.6204492529 0.0831310497 -15.493833 -7.71343747 -11.32791936 -8.16433296 -11.06366737 -4.3074573 -13.69016949 -12.58448079 -9.99306525 -7.76251681 -8.98860447 -13.85704478 -15.75299279 -16.77387042 -24.61137183 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 36791-04-5 37542 144208165 A A Ribavirin NC(=O)c1ncn(n1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O Tox21_200967 -NCGC00257689-01 196715796 tox21-ror-cho-viability-p1 set2 4 -0.37782359 -1.1398578 3.55545491 1.10371554 -0.40123056 0.10121563 1.92007171 1.09266532 0.7540145 -3.22055676 -4.66066528 -2.10047091 -5.38563013 -4.22086223 -4.15925554 1.173E-9 2.6229999999E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.3299999999E-7 0.0000016389999999 0.000003665 0.000008195 0.00001833 0.00004098 0.000091629999999 64697-40-1 2734223 144207333 A A 1-Methyl-3-octylimidazolium chloride [Cl-].C[n+]1ccn(CCCCCCCC)c1 Tox21_200135 -NCGC00258199-01 196715803 tox21-ror-cho-viability-p1 set2 4 -1.1011033 -1.19164907 -16.13459745 -2.31246954 -3.32903611 -1.18421448 1.04384037 -1.04991137 -4.99683047 -0.54444882 -2.4152934 -0.44018646 -1.19969951 1.33144955 0.8332851 1.19E-9 2.661E-9 5.949E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003718 0.000008314 0.00001859 0.00004157 0.000092959999999 141-97-9 8868 144207843 A A Ethyl acetoacetate CC(=O)CC(=O)OCC Tox21_200645 -NCGC00258125-01 196715804 tox21-ror-cho-viability-p1 set2 -2.2 48.854168593 -60.9373462892 -0.3041211659 -61.2414674551 1.713743691 0.987412467 3.2E-9 -0.66822673 -0.58267799 -0.8104282 0.8885848 0.23594053 -0.40801896 -0.48749877 -3.41594182 -0.81562442 -0.01673827 -0.31656492 -2.30489071 -12.86851414 -23.76789612 -47.15262686 1.1859999999E-9 2.6519999999E-9 5.929E-9 1.326E-8 2.964E-8 6.629E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.0000037059999999 0.000008286 0.00001853 0.000041429999999 0.00009264 75-95-6 60967 144207769 A Pentabromoethane BrC(Br)C(Br)(Br)Br Tox21_200571 -NCGC00257760-01 196716196 tox21-ror-cho-viability-p1 set2 4 3.63071572 0.51483171 3.17865709 2.56502389 4.36362213 0.35366871 0.77748104 5.00503874 0.91143609 3.53846858 0.93008099 3.91633187 -0.06461946 0.09960151 1.70376923 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.953E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.000001651 0.0000036909999999 0.000008253 0.000018449999999 0.000041259999999 0.00009227 89-82-7 442495 144207404 A Ac R-(+)-Pulegone C/C(C)=C1/CC[C@@H](C)CC1=O Tox21_200206 -NCGC00160537-04 196716195 tox21-ror-cho-viability-p1 set2 4 27.3060203028 12.442653612 -1.442653612 11 4.9549173134 0.78967332 0.0137112786 -1.72184536 -3.1887722 -1.04040068 1.3857058 -3.77853091 -2.79657655 -4.11887801 0.00740775 0.52492237 -0.63800969 -1.6911056 -2.35300135 -0.14689687 10.04725459 3.24749225 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00182057-03 196712905 tox21-ror-cho-viability-p1 set2 4 33.4914596268 12.012851464 -0.012851464 12 4.9549173134 0.6341895321 0.0748945682 2.91355696 3.3727204 -0.18993753 0.60780158 -2.47422529 -0.04979212 -2.72032976 -2.92737622 1.60479988 0.50719894 1.4860258 -1.67690771 -0.25854512 -2.04006461 10.65611015 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 90038-01-0 56031 170465639 A Detomidine hydrochloride Cl.Cc2cccc(Cc1cncn1)c2C Tox21_113020_1 -NCGC00357215-01 196712076 tox21-ror-cho-viability-p1 set2 4 76.9588215421 26.191839968 3.808160032 30 0.7 0.6123845191 0.0885891326 5.9352702 5.81622941 0.55872975 5.23334841 6.70899803 -0.15986664 5.985726 8.07094871 9.95863873 4.42148184 8.42501697 8.00125049 8.47597661 9.75611753 22.0479788 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 626-60-8 12287 251919930 Ac 3-Chloropyridine Clc1cccnc1 Tox21_303995 -NCGC00244579-01 196712083 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -24.273314636 1.5 -22.773314636 4.9549173134 0.7381919861 0.02332385 -0.9496821 -1.88602077 -1.66970117 -1.4392561 -2.73097277 3.70779567 2.44526834 3.73224678 2.52860665 2.25221115 1.210084 2.80332789 4.56407274 6.12071525 -17.31109553 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00179449-03 196712495 tox21-ror-cho-viability-p1 set2 2.1 5.3080386368 79.322647552 0.0220834819 79.3447310339 1.8851180601 0.992978156 6E-10 -0.34179998 -1.25475551 -0.47033942 1.06174081 0.07584036 0.36881854 0.87133488 0.50075715 2.20857029 1.61429752 4.41298701 32.66173612 54.93076524 73.46734355 57.16567921 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1949-20-8 264891 170466464 A Oxalamine citrate O=C(O)C(O)(CC(=O)O)CC(=O)O.CCN(CC)CCc1nc(no1)c2ccccc2 Tox21_110749_1 -NCGC00159319-04 196712908 tox21-ror-cho-viability-p1 set2 4 21.1316824289 8.9413391319 -0.9413391319 8 1.8616924601 0.6829977593 0.0476732006 -1.47342983 -1.76667581 -2.01353428 -4.11778261 0.29484466 -0.04559916 -2.17214048 0.35739617 2.08999334 -1.73906753 0.17221508 -0.07442247 0.0809377 3.69995298 6.225976 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68291-97-4 5734 170465437 A Zonisamide NS(=O)(=O)Cc2noc1ccccc12 Tox21_111569_1 -NCGC00258441-01 196702806 tox21-ror-cho-viability-p1 set1 4 68.8687250228 15.9254905719 -1.4254905719 14.5 4.0449729863 0.549325777 0.1369110372 -2.63817688 -5.65586266 0.42796139 0.23101003 -7.43790881 -3.23228756 -1.88988007 2.77207263 -3.83317191 -1.0963127 -0.82077746 3.52668468 0.42917498 0.00103907 10.84283675 1.1839999999E-9 2.647E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.619E-8 1.4799999999E-7 3.309E-7 7.4E-7 0.000001655 0.0000037 0.0000082729999999 0.0000185 0.00004137 0.0000925 537-92-8 10843 144208085 A A N-Acetyl-m-toluidine O=C(C)Nc1cc(C)ccc1 Tox21_200887 -NCGC00258626-01 196702408 tox21-ror-cho-viability-p1 set1 4 4.53324791 1.64356712 3.30322916 1.32575564 -0.64451014 0.50260622 -0.97580122 -4.61950017 1.07239785 0.51416581 1.62378109 -0.76084725 6.66721192 4.68872765 -0.13987877 1.1859999999E-9 2.6519999999E-9 5.929E-9 1.326E-8 2.964E-8 6.629E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.0000037059999999 0.000008286 0.00001853 0.000041429999999 0.00009264 75-75-2 6395 144208271 A Methanesulfonic acid CS(=O)(=O)O Tox21_201073 -NCGC00258210-01 196702409 tox21-ror-cho-viability-p1 set1 4 -13.43066086 -5.45780458 -4.06714069 -4.80433453 -14.75824766 -8.16653206 -8.63715915 -5.11193297 -9.39223885 -8.46814281 -12.25514521 -11.38301501 -5.79129623 -8.33844917 -1.49145533 1.2249999999E-9 2.739E-9 6.124E-9 1.369E-8 3.062E-8 6.8459999999E-8 1.531E-7 3.423E-7 7.6549999999E-7 0.0000017119999999 0.000003827 0.000008558 0.00001914 0.000042789999999 0.00009568 629-14-1 12375 144207854 FC Ethylene glycol diethyl ether CCOCCOCC Tox21_200656 -NCGC00091080-03 196702413 tox21-ror-cho-viability-p1 set1 4 10.8707224818 -20.21749426 1 -19.21749426 0.3 0.4198466912 0.2529748216 0.10856279 2.62701082 0.39850889 -4.47077124 3.85259182 -12.96506868 -5.53702704 -8.99221035 0.74162979 0.1009812 -4.20322731 -9.10395565 -12.94317435 -16.01457855 -9.2421678 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00163927-04 196702826 tox21-ror-cho-viability-p1 set1 4 3.37630278 2.21752157 1.01918089 4.23534339 -1.43037539 -2.65771387 1.19920888 2.04145631 -2.12208908 -0.50810141 5.26511934 4.02875308 6.73890558 4.15905679 -0.01285279 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00257769-01 196702828 tox21-ror-cho-viability-p1 set1 4 2.37324861 0.8420581 -0.09036599 0.33718847 1.78375229 0.53902877 -0.048519 0.69650663 1.17667015 -8.67125784 -0.31467118 1.40623098 2.74890747 -0.27360422 4.31327112 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 638-03-9 522105 144207413 A B 3-Methylaniline hydrochloride Cl.Cc1cc(N)ccc1 Tox21_200215 -NCGC00168342-02 196698686 tox21-ror-cho-viability-p1 set1 4 -6.05548825 -2.37889714 -6.49470684 -3.29938589 -2.94656699 -4.58522237 -2.74039989 0.06422615 -6.95199129 -8.23836561 -5.14634734 -0.75004603 -8.16176774 -0.09643827 -10.8084551 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00254424-01 196698671 tox21-ror-cho-viability-p1 set1 4 48.5577336745 10.519357972 -1.019357972 9.5 3.9899729863 0.4771148518 0.200833829 -2.16286999 3.3265823 -0.1780201 -0.15923119 -2.49680978 -4.43927874 -1.77269086 -5.43279831 4.71315992 -0.16691231 1.55970048 -0.15578918 -3.26331099 2.92613254 8.78602195 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 73-22-3 6305 144210677 Ac Ac l-Tryptophan O=C(O)[C@@H](N)Cc2cnc1ccccc12 Tox21_300359 -NCGC00254866-01 196698670 tox21-ror-cho-viability-p1 set1 4 4.0713892 -2.45658853 -0.93798991 -0.84696329 -3.8741803 -1.089873 -4.06946508 0.11045743 -0.32225538 -2.24591463 -0.10866911 -3.98530975 1.50561795 -0.99189898 4.56337933 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2832-19-1 62466 144211281 D 2-Chloro-N-(hydroxymethyl)acetamide ClCC(=O)NCO Tox21_300964 -NCGC00091839-03 196698677 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -19.892120492 0.5 -19.392120492 4.0949729863 0.7268364774 0.0274167512 -2.19075832 -1.95406068 0.37157086 -0.22031613 0.19302347 0.52456573 -1.02868226 0.09339937 8.38017948 -0.54677372 0.16925978 -0.38646673 -0.07972284 -1.85210201 -14.91010041 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00255094-01 196698688 tox21-ror-cho-viability-p1 set1 4 68.5896218971 12.7136455999 -1.2136455999 11.5 4.0449729863 0.7881237302 0.0104189515 -1.12365681 -1.83800589 1.31483148 -1.4397984 -0.36815174 -3.928038 -1.74054395 -3.35228362 -1.26892231 -0.94250617 -2.11072479 -1.80903531 0.85963908 0.03087269 8.58912686 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18699-02-0 2018 144211514 A A 4-Acetylaminophenylacetic acid O=C(C)Nc1ccc(cc1)CC(=O)O Tox21_301197 -NCGC00254747-01 196699087 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -23.117178704 0 -23.117178704 4.9549173134 0.7447779316 0.0212106765 -0.31620886 1.75973149 0.51230926 1.11884166 0.71795184 0.09204741 1.25045943 -0.54798774 2.90263802 1.69417504 -6.30480685 0.74552403 -5.97675382 0 -17.59764892 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 124495-18-7 3391107 144211161 A A Quinoxyfen Fc1ccc(cc1)Oc2ccnc3cc(Cl)cc(Cl)c23 Tox21_300844 -NCGC00259270-01 196722178 tox21-ror-cho-viability-p1 set3 4 39.317239653 10.7757594279 -2.7757594279 8 3.0654483358 0.540797628 0.1441767208 -6.89646619 -3.28434116 2.64325413 3.86653279 -2.78989863 -5.02370449 -4.50860974 -3.15866771 -4.82502668 -2.73447082 -3.45777319 -2.75244192 -3.39623282 3.67545627 7.39057074 1.1989999999E-9 2.6809999999E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.701E-8 1.4979999999E-7 3.351E-7 7.492E-7 0.000001675 0.000003746 0.000008377 0.00001873 0.00004188 0.00009365 4792-15-8 62551 144208919 A A Pentaethylene glycol OCCOCCOCCOCCOCCO Tox21_201721 -NCGC00163930-04 196721781 tox21-ror-cho-viability-p1 set3 -3 61.130564862 -36.406821168 -1 -37.406821168 3.9899729863 0.9294652685 0.0000536888 -0.51133045 2.58599003 1.0942374 -6.06182762 0.91015398 0.23726688 -3.25173593 -2.70112066 -0.95266351 -1.58544089 1.92765539 -2.56438262 -1.23566106 -7.65712131 -31.58901764 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00259722-01 196721790 tox21-ror-cho-viability-p1 set3 4 17.5975257311 8.984070264 -5.984070264 3 4.9549173134 0.6206554602 0.0833782912 -5.84414012 -8.53345843 -2.419523 -2.99601775 -8.73672522 -0.27078808 -5.33854173 -8.07255828 -7.89218714 -4.38064061 -7.94170029 -6.90513087 -1.11052445 2.25134602 3.51112472 1.2009999999E-9 2.686E-9 6.007E-9 1.3429999999E-8 3.003E-8 6.716E-8 1.5019999999E-7 3.358E-7 7.509E-7 0.000001679 0.000003754 0.0000083949999999 0.000018769999999 0.00004197 0.00009386 111-71-7 8130 144209371 AC Fns Heptanal CCCCCCC=O Tox21_202173 -NCGC00259190-01 196721794 tox21-ror-cho-viability-p1 set3 -2.1 24.3612673097 -71.840492293 -3.164845423 -75.005337716 4.9549173134 0.9486822679 0.0000234222 1.27314153 -6.67479963 -14.8709224 -7.56903692 -2.66347513 0.27449894 -1.16283018 -0.40092926 -1.72393542 -1.15471763 -1.53006848 -0.746715 -16.68935019 -70.3753127 34.96995989 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.00009229 300-76-5 4420 144208839 D Naled COP(=O)(OC)OC(Br)C(Cl)(Br)Cl Tox21_201641 -NCGC00257132-01 196718912 tox21-ror-cho-viability-p1 set2 4 61.130564862 -15.757046844 3.5 -12.257046844 4.9549173134 0.7769056572 0.0126130056 1.73845277 1.22765441 1.56286845 1.02358492 1.6884368 5.38481669 1.86577204 5.14342147 4.6967456 4.8748565 7.26060926 5.42908077 5.23227125 1.4059506 -10.63087237 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 136-35-6 8689 144213566 F F Diazoaminobenzene N(=N/Nc1ccccc1)\c2ccccc2 Tox21_303249 -NCGC00090827-04 196718494 tox21-ror-cho-viability-p1 set2 4 -0.66714948 -0.01885202 -0.83092067 -29.18844489 -0.15444257 2.16224128 0.19029982 0.26469434 -0.84581558 0.51210563 -0.34982776 0.016091 0.0975392 -0.44995879 1.31451941 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00256901-01 196718499 tox21-ror-cho-viability-p1 set2 4 0.0121971512 5.455449664 -4.455449664 1 2.4063783767 0.4653939737 0.2127804073 -2.81088581 -4.96287472 -4.61364537 -0.93486166 0.03319807 1.61107636 -2.66889392 3.04496689 0.12028109 1.61040167 2.29975353 4.46409138 -2.85002092 -1.16847503 5.11245933 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-37-5 6533 144212952 A F Linalyl cinnamate C/C(C)=C\CCC(C)(C=C)OC(=O)C=Cc1ccccc1 Tox21_302635 -NCGC00256898-01 196718909 tox21-ror-cho-viability-p1 set2 4 -0.19691777 -0.04255411 1.26337997 -0.34445854 0.08273814 1.84891901 2.07748341 1.76883969 -0.26547772 1.1407843 6.36242516 2.57881648 0.90614633 0.52677012 2.96408905 2.359E-9 5.276E-9 1.18E-8 2.638E-8 5.8979999999E-8 1.3189999999E-7 2.949E-7 6.595E-7 0.000001475 0.000003297 0.0000073729999999 0.000016489999999 0.00003687 0.00008243 0.0001843 67952-65-2 528143 144212908 I Fns (Methylthio)methylpyrazine Cc1cnc(SC)cn1 Tox21_302591 -NCGC00163953-03 196718917 tox21-ror-cho-viability-p1 set2 -3 72.7253077472 -60.785066483 1.38648762 -59.398578863 4.9549173134 0.9765578909 1.188E-7 -0.94909624 3.74925301 -1.77842455 0.05105855 2.37790858 1.96003686 4.33486755 -0.76485191 0.58434463 3.60026001 1.66720202 0 2.06002467 -0.06522228 -47.93538005 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.000019359999999 0.00004328 0.000096779999999 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00257340-01 196718921 tox21-ror-cho-viability-p1 set2 4 3.0637858693 6.3046652319 -1.8046652319 4.5 4.9549173134 0.686705809 0.0548760355 1.1158472 0.54424265 -4.42055436 -2.21365695 -2.37938009 -4.33175501 -3.50099863 0.5760337 -1.84013279 -1.44511157 2.73110836 6.4087077 2.43135289 4.28209909 -2.86106681 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 107071-66-9 129491 144213881 A A Ro 23-7637 O=C(CCCCCCCCc1cccnc1)N4CCC(\C=C(/c2ccccc2)c3ccccc3)CC4 Tox21_303576 -NCGC00257303-01 196719352 tox21-ror-cho-viability-p1 set2 4 2.7730072 0.52739573 0.12907381 -5.22977702 1.50428403 0.15166481 -1.8865707 -5.79279487 -5.31661572 -2.20700928 -5.43152802 -2.33491682 0.28267114 -1.02449181 -3.14815178 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6119-47-7 2723885 144213870 A A Quinine hydrochloride dihydrate Cl.O.O.COc1cc2c(cc1)nccc2[C@@H](O)[C@@H]4CC3CCN4C[C@@H]3C=C Tox21_303565 -NCGC00254720-01 196719776 tox21-ror-cho-viability-p1 set3 4 0.0382963704 13 2 15 1.0999999999 0.5523501363 0.1492346606 2.19925302 0.87619145 6.8517591 3.39486642 9.3627111 9.29222866 8.6213196 20.35669455 12.32381435 17.17805812 18.80678436 18.10263087 18.71857116 2.51858019 -2.29352036 1.173E-9 2.622E-9 5.863E-9 1.311E-8 2.9319999999E-8 6.5549999999E-8 1.466E-7 3.2779999999E-7 7.329E-7 0.0000016389999999 0.000003665 0.000008194 0.00001832 0.000040969999999 0.00009161 826-36-8 13220 144211133 A Ac 2,2,6,6-Tetramethyl-4-piperidone O=C1CC(C)(C)NC(C)(C)C1 Tox21_300816 -NCGC00258718-01 196730269 tox21-ror-cho-viability-p1 set3 4 -0.19139475 -0.96440052 0.25841493 -1.99754838 -0.32351664 -0.38034548 3.46679719 -1.44247222 0.02839496 -1.19573057 -2.52760657 -0.77384875 -2.05947589 1.89516662 4.63637203 1.211E-9 2.707E-9 6.053E-9 1.353E-8 3.0259999999E-8 6.767E-8 1.5129999999E-7 3.3829999999E-7 7.566E-7 0.0000016919999999 0.0000037829999999 0.000008459 0.00001891 0.000042289999999 0.000094569999999 542-02-9 10949 144208364 A A 6-Methyl-1,3,5-triazine-2,4-diamine Nc1nc(C)nc(N)n1 Tox21_201166 -NCGC00257789-01 196730270 tox21-ror-cho-viability-p1 set3 4 -4.93668389 -2.49187365 -5.70168815 -0.80714085 -3.60012224 -3.16230158 -0.6288174 -0.88436858 -6.0176672 -2.47310811 -5.10893235 -2.31788491 -2.56874792 -3.33185719 1.12629908 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.000041429999999 0.000092629999999 542-75-6 24883 144207433 C 1,3-Dichloropropene ClC=CCCl Tox21_200235 -NCGC00257969-01 196729863 tox21-ror-cho-viability-p1 set3 4 -3.87996737 -1.74197124 -0.53196704 0.35811456 -1.40945951 0.79791008 0.14001069 1.05627925 -0.56573091 0.91088719 4.43297135 5.72404431 4.48495962 0.84832716 0.30578342 1.2049999999E-9 2.695E-9 6.027E-9 1.348E-8 3.013E-8 6.738E-8 1.507E-7 3.3689999999E-7 7.534E-7 0.000001685 0.0000037669999999 0.000008423 0.000018829999999 0.000042109999999 0.00009417 868-77-9 13360 144207613 A A 2-Hydroxyethyl methacrylate C=C(C)C(=O)OCCO Tox21_200415 -NCGC00258354-01 196729873 tox21-ror-cho-viability-p1 set3 4 68.1016469048 15.036020188 -3.036020188 12 4.0949729863 0.654759237 0.0621467643 -3.60153767 -5.31689626 -0.43576358 -3.38431541 -1.17990618 -6.69668349 -5.18411239 -4.90271994 -3.8951134 0.09068668 0.0151024 -3.21232116 -0.45857713 -1.4640603 8.38070671 1.173E-9 2.6229999999E-9 5.865E-9 1.311E-8 2.9319999999E-8 6.557E-8 1.466E-7 3.2779999999E-7 7.3309999999E-7 0.0000016389999999 0.000003665 0.0000081959999999 0.00001833 0.00004098 0.00009164 18559-94-9 2083 144207998 A A Albuterol OCc1cc(ccc1O)C(O)CNC(C)(C)C Tox21_200800 -NCGC00091483-03 196730276 tox21-ror-cho-viability-p1 set3 4 -1.93591884 -4.80422424 -2.61648901 -2.95483098 -3.81517149 -4.1949698 -3.75105388 -6.88255073 -0.44241181 -1.58677488 -2.48933712 -2.15873107 0.28686048 -1.52961362 -6.13093865 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00258073-01 196730279 tox21-ror-cho-viability-p1 set3 4 0.52322831 1.97840052 3.17395475 4.1488067 1.51002837 2.00451172 0.53900921 1.67679856 4.2671147 -2.15052802 2.75664073 2.39260966 -3.14804202 -0.28141882 -0.02798673 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.613E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.00001848 0.00004133 0.00009242 21436-96-4 88898 144207717 A A 2,4-Dimethylaniline hydrochloride Cl.Cc1ccc(N)c(C)c1 Tox21_200519 -NCGC00258739-01 196730282 tox21-ror-cho-viability-p1 set3 -2.2 56.4833296327 -58.0671242392 -2.287928774 -60.3550530132 1.21 0.921910536 0.0000911915 2.15576273 1.34688001 -4.21839855 1.19635149 -5.09727643 0.01136007 -0.13632742 -4.20996155 -7.11408773 -5.33228702 -7.15552413 -10.61139919 -11.8165088 -22.59871033 -45.72352501 1.216E-9 2.718E-9 6.078E-9 1.359E-8 3.0389999999E-8 6.795E-8 1.519E-7 3.3979999999E-7 7.597E-7 0.000001699 0.000003799 0.0000084939999999 0.000018989999999 0.00004247 0.00009497 630-16-0 61179 144208385 A A 1,1,1,2-Tetrabromoethane BrC(Br)(Br)CBr Tox21_201187 -NCGC00253625-01 196722911 tox21-ror-cho-viability-p1 set3 4 2.3710137656 -16.827294572 2 -14.827294572 1.372261 0.7991627507 0.0081079849 -0.56795238 0.04628144 -0.24089971 -0.33558774 4.3826466 5.56611755 4.04092532 5.23350163 -0.15934491 0.98544971 -10.60256028 -2.71560328 -16.10607881 -15.28042495 -13.13239913 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83783-69-1 3019305 170466728 A A 1-(4-Fluorobenzyl)-1H-benzimidazol-2-amine Fc1ccc(cc1)Cn2c3ccccc3nc2N Tox21_113754 -NCGC00253626-01 196722508 tox21-ror-cho-viability-p1 set3 2.2 23.7101376556 63.957498628 2.034120856 65.991619484 1.4641 0.928509649 0.0000574186 0.3089147 0.79277775 0.18017971 1.35773322 -5.38823262 2.81478421 1.10083426 5.3631721 2.92362919 10.29359957 -0.36219275 11.88842167 12.85554066 27.28731867 52.4427642 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7761-45-7 24466 170466776 A A Methodichlorophen Cc2nc(N)nc(N)c2c1ccc(Cl)c(Cl)c1 Tox21_113755 -NCGC00015455-10 196722900 tox21-ror-cho-viability-p1 set3 4 3.48603607 6.07646677 -3.85505396 7.75644728 -2.42586441 5.64555187 5.08529326 -1.96152324 0.97648008 0.23036496 1.71088738 6.10846896 -1.44161516 4.36856389 5.77498365 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72509-76-3 3333 170464849 A Felodipine CC=1NC(C)=C(C(C=1C(=O)OCC)c2cccc(Cl)c2Cl)C(=O)OC Tox21_110155_1 -NCGC00179685-03 196722902 tox21-ror-cho-viability-p1 set3 4 0.0211316824 4.4615997959 -0.4615997959 4 4.0949729863 0.3066401303 0.36357511 -0.80242869 0.18348932 -0.82384268 -0.68852509 0.46668636 2.99145841 5.70348333 8.18797578 4.22919348 8.87347499 2.74785222 -0.29170402 -3.71799983 2.70737623 6.35881154 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 338-98-7 224246 170465628 A Isoflupredone acetate CC(=O)OCC(=O)[C@@]4(O)CC[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_110437_1 -NCGC00024885-03 196722921 tox21-ror-cho-viability-p1 set3 4 4.7307944147 -11.3547029319 1 -10.3547029319 2.4063783767 0.591170089 0.1182686883 -2.34943616 1.32698855 1.04719206 1.38874294 1.48822854 0.11482331 -0.34677074 1.32560597 4.80886785 3.49061234 -3.91645278 0.71474814 -14.87891911 -6.00516521 -2.91045836 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58493-49-5 5311093 170466401 A Olvanil Oc1ccc(cc1OC)CNC(=O)CCCCCCC/C=C\CCCCCCCC Tox21_110935_1 -NCGC00091902-08 196722923 tox21-ror-cho-viability-p1 set3 4 -0.71543121 -3.39385384 0.76206945 -1.13865912 -0.67564158 -0.89773701 -0.4135857 -0.85713054 11.61211363 -3.06993553 -3.45229314 3.52883155 4.92678041 6.01974822 -0.49726053 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00253698-01 196723330 tox21-ror-cho-viability-p1 set3 4 33.4914596268 -20.3891823 3.5 -16.8891823 1.8616924601 0.5840653417 0.1091530478 3.08337958 5.40110966 2.04552994 6.22892705 -1.74004938 2.1693354 0.84587069 6.91543754 4.60620984 1.94076054 10.31096273 -0.58783916 -0.52375825 -0.43127435 -10.74098525 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 22720-75-8 89805 170466757 Ac A 2-Acetylbenzo[b]thiophene CC(=O)c1cc2ccccc2s1 Tox21_113819 -NCGC00253675-01 196723332 tox21-ror-cho-viability-p1 set3 4 59.5571730664 26.575169696 1.424830304 28 0.5 0.4588280662 0.2162024211 -0.52354205 2.99129988 3.20599828 2.04304831 -0.60351408 0.295344 0.61300143 -1.72930808 6.94697852 8.266181 12.52352987 4.71774088 6.34374215 1.74112947 21.87485596 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6065-63-0 80168 170466685 F F Diethyl dipropylmalonate CCCC(CCC)(C(=O)OCC)C(=O)OCC Tox21_113799 -NCGC00183270-01 196723333 tox21-ror-cho-viability-p1 set3 2.4 42.1632496022 34.92315468 3.07684532 38 0.4 0.412407297 0.2598649385 4.87786684 8.37605919 13.0634201 1.61965633 9.27936838 8.22981637 8.03933626 -0.3526289 9.39420758 11.75342702 9.67249247 10.24534611 9.77391753 11.6811018 31.63612337 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62476-59-9 44072 144206456 A A Acifluorfen-sodium [Na+].Clc2cc(ccc2Oc1cc(C([O-])=O)c(cc1)[N+]([O-])=O)C(F)(F)F Tox21_112903 -NCGC00357184-01 196723741 tox21-ror-cho-viability-p1 set3 4 -1.01473967 4.65973347 8.04091776 5.29507675 6.60054194 -10.15796171 -5.83308181 -8.58884526 2.68717959 6.38158416 6.9876749 -3.14201467 -1.21497544 -1.95904376 8.72545099 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5405-41-4 62572 251919682 A Ethyl 3-hydroxybutyrate CC(O)CC(=O)OCC Tox21_303950 -NCGC00357046-01 196723744 tox21-ror-cho-viability-p1 set3 4 4.61063274 4.878402 -2.53759898 -8.37182262 -12.33607882 -0.09860199 0.49174768 3.07453522 3.31322523 -7.29142297 -0.61689073 -1.45995204 -0.46935058 3.27041817 -2.50221109 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2460-77-7 17161 251919805 F 2,5-Di-tert-butylcyclohexa-2,5-diene-1,4-dione CC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)C Tox21_303738 -NCGC00255602-01 196700729 tox21-ror-cho-viability-p1 set1 4 1.8999456 -1.50597018 -0.53415705 2.56706294 -0.28138194 2.18552409 1.41753676 5.88833564 0.41559535 1.36798998 1.3646436 1.63027502 -0.93650109 0.07121675 -0.35094598 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 619-65-8 12087 144212437 A A 4-Cyanobenzoic acid OC(=O)c1ccc(C#N)cc1 Tox21_302120 -NCGC00256019-01 196700325 tox21-ror-cho-viability-p1 set1 4 -2.63739535 -3.49971156 1.02712029 -1.24009416 -7.30979813 -2.34340539 -3.76711763 -2.51711405 -4.76660416 3.13872598 5.27038351 3.54712884 -1.42260059 -3.3967282 -7.4257996 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50940-49-3 175956 144211986 Ac Fc 4-[2-(Acryloyloxy)ethoxy]-4-oxobutanoic acid O=C(CCC(=O)O)OCCOC(=O)C=C Tox21_301669 -NCGC00255892-01 196700727 tox21-ror-cho-viability-p1 set1 -2.4 54.4826732819 -28.7581453319 1 -27.7581453319 2.3531167061 0.8039181406 0.0073419423 1.23270805 1.24901024 0.80378551 1.50567583 2.70403875 5.88538836 1.31204687 1.13872824 -0.49441711 2.88689854 0.20884612 -8.78454232 -0.51468956 -7.87408437 -21.46512111 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66246-88-6 91693 144211635 A A Penconazole Clc2ccc(C(CCC)Cn1cncn1)c(Cl)c2 Tox21_301318 -NCGC00255521-01 196700728 tox21-ror-cho-viability-p1 set1 4 -5.73008031 2.72940516 3.51781775 -19.35870409 -0.34765106 2.54877034 -1.9794725 -3.48489793 -2.31340478 -1.39865692 -1.69724786 1.10969654 -1.98744854 2.06753833 2.38190249 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6359-90-6 23675737 144212251 F C.I. Acid Yellow 34, monosodium salt [Na+].[O-]S(=O)(=O)c1ccc(Cl)c(c1)N3N=C(C)C(/N=N/c2ccccc2)C3=O Tox21_301934 -NCGC00255148-01 196700734 tox21-ror-cho-viability-p1 set1 4 0.97969391 -0.52539468 3.26341161 -1.30429687 2.34091287 -11.16171215 0.051265 0.38030188 -1.13441308 3.33567059 1.72169374 -0.95279971 0.02648108 0.1490025 2.32086494 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1330-86-5 66932 144212739 Z C Diisooctyl adipate CC(C)CCCCCOC(=O)CCCCC(=O)OCCCCCC(C)C Tox21_302422 -NCGC00255184-01 196700738 tox21-ror-cho-viability-p1 set1 4 -4.27320708 -2.55933025 0.38669856 -4.49419044 -1.0542004 1.1577749 -6.66210799 -1.49080298 -7.66808375 -4.06972664 -9.5752359 2.13095497 -2.08667446 -6.42873375 -9.1884435 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 434-03-7 5284557 144212641 A A Ethisterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@@]1(O)C#C)=C4 Tox21_302324 -NCGC00090780-04 196700739 tox21-ror-cho-viability-p1 set1 4 -3.3912095 -2.37752666 -2.63162984 -2.31596707 -1.16289558 -4.64862045 -1.41960441 0.17063671 -1.62919393 -0.62132119 -5.79681942 -4.5957077 2.27411665 -0.05708769 1.70426701 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00255131-01 196701142 tox21-ror-cho-viability-p1 set1 4 -3.41412317 -0.29006201 -3.96644746 -2.23295289 1.5791472 0.19610992 0.60321924 -3.99693203 -4.88492123 -2.47574688 2.61761031 1.36587055 0.48011239 1.84299075 -3.67107513 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24544-04-5 32484 144212462 A Fc 2,6-Diisopropylaniline CC(C)c1cccc(C(C)C)c1N Tox21_302145 -NCGC00090987-03 196701559 tox21-ror-cho-viability-p1 set1 4 30.6378586933 -10.828442544 -1.5 -12.328442544 3.0654483358 0.7066602763 0.0357022359 -1.57883985 -6.29601473 -1.2528978 1.03067012 -1.82691998 -2.32097993 -5.37122432 -1.97720975 0.54429397 0.79145949 -0.79338062 -1.62947647 -2.59100199 -9.65235313 -11.52370212 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00022662-05 196723168 tox21-ror-cho-viability-p1 set3 4 33.4914596268 13.7258509039 -2.7258509039 11 4.9549173134 0.5130397849 0.1681084907 -3.14052533 -2.86566551 0.14815072 -0.82243296 -1.29650501 0 -5.27342466 -1.18138607 0.31648308 -1.12424145 -0.27615666 -5.58604921 -9.77154242 -3.56845712 8.87058942 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1177-87-3 236702 170466872 A Dexamethasone acetate CC(=O)OCC(=O)[C@@]4(O)[C@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_112928_1 -NCGC00263532-01 196722345 tox21-ror-cho-viability-p1 set3 4 2.6603212004 10.5515737199 -2.5515737199 8 1.55794881 0.5655552614 0.1388333241 -1.03541453 -3.08401425 -6.2929781 -0.14454766 -3.20284864 -4.77113055 -0.92453034 0.51833127 -2.22701315 -3.89415163 5.57950631 -1.13969918 12.22562077 4.89894081 0.52129834 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 140462-76-6 5282402 170465181 A Olopatadine hydrochloride Cl.O=C(O)Cc1ccc2OCc3ccccc3C(=C\CCN(C)C)\c2c1 Tox21_112242_1 -NCGC00160396-04 196722760 tox21-ror-cho-viability-p1 set3 4 -5.63612589 0.86720621 -8.11939524 -7.0065005 2.48322015 -2.4704234 -16.60087037 0 5.98351055 3.36790243 1.08096574 -6.04378536 -3.52372836 -4.66688795 1.41732991 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 92623-83-1 56463 170466117 A Pravadoline COc1ccc(cc1)C(=O)c3c4ccccc4n(CCN2CCOCC2)c3C Tox21_111785_1 -NCGC00257076-01 196726839 tox21-ror-cho-viability-p1 set3 4 -2.23036203 -4.56516384 -9.42849563 -3.89013912 -4.63021097 -0.41225582 -6.4466971 -2.18056521 -1.78853739 -2.49821342 1.43012612 -4.951149 -1.93609374 -5.33286967 0.31846592 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-11-5 31244 144213648 A F 4-Methoxybenzaldehyde COc1ccc(C=O)cc1 Tox21_303331 -NCGC00256624-01 196726836 tox21-ror-cho-viability-p1 set3 4 3.8570778872 6.5617966879 -5.5617966879 1 3.1319983358 0.4052839714 0.2677377763 -2.87721747 -4.94806032 0.5521351 -4.33905005 -6.3418761 -5.42138991 -6.0854794 -3.78123993 -11.17943804 -13.80149724 0 -1.11818674 3.35957816 2.23040431 -1.72885599 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2349-07-7 16872 144212808 A F Hexyl isobutyrate O=C(OCCCCCC)C(C)C Tox21_302491 -NCGC00257190-01 196726837 tox21-ror-cho-viability-p1 set3 4 2.59638115 -1.09137719 0.95575388 0.18494442 -1.49136244 0.88364037 -2.33398106 -8.15412353 -9.3174013 -0.81867091 1.46524367 8.75032178 0.96692327 0.10674916 1.49164497 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-60-0 7198 144213610 A A Dimethyl hexahydroterephthalate COC(=O)C1CCC(CC1)C(=O)OC Tox21_303293 -NCGC00256800-01 196726838 tox21-ror-cho-viability-p1 set3 -2.4 43.2771256911 -26.59307028 0.5 -26.09307028 2.7202212143 0.9560103314 0.0000041839 -0.27558603 -0.96421515 1.10285865 -1.37299716 2.33565204 1.02329601 -1.78262692 -0.45821309 1.99284228 2.94615646 0.15860607 2.23064948 -2.20493516 -11.69048784 -23.4108919 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6707-60-4 23173 144212873 A A 12-Oxahexadecanolide O=C1CCCCCCCCCCOCCCCO1 Tox21_302556 -NCGC00256709-01 196726851 tox21-ror-cho-viability-p1 set3 4 2.91186206 1.15242696 3.22412213 1.00899747 7.74644928 1.99378446 4.5766197 -0.33557485 4.75729789 -21.20142083 -0.36877171 3.59328125 3.09670032 1.28243391 4.16390784 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1524-88-5 15209 144212928 A A Flurandrenolide OCC(=O)[C@@]54OC(C)(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3C[C@H](F)C1=CC(=O)CC[C@@]12C Tox21_302611 -NCGC00256814-01 196727678 tox21-ror-cho-viability-p1 set3 -2.2 43.2771256911 -66.8604673193 0.2829271149 -66.5775402044 2.7202212143 0.9809724704 3.56E-8 -0.58144668 -3.10142524 1.48794006 1.77582792 -2.70532689 -1.19202465 2.2069576 3.02107718 -1.20230635 0.1987856 0.53684194 -3.9189255 -1.00336939 -30.96786675 -59.14965167 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-69-0 31224 144212802 A A 3-Phenyl-2-propen-1-yl 3-phenylacrylate O=C(C=Cc1ccccc1)OCC=Cc2ccccc2 Tox21_302485 -NCGC00255758-01 196728085 tox21-ror-cho-viability-p1 set3 4 0.0013685429 9.498901728 -7.498901728 2 4.9549173134 0.4510759231 0.2271553859 -5.41575144 3.65944595 3.01315875 3.44026455 0.28934795 0.33995146 6.8220436 2.45857668 2.96092297 2.661358 0.43001688 -1.76335709 0.91082584 0.04553453 2.82469887 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4394-85-8 20417 144212344 A Ac 4-Morpholinecarboxaldehyde O=CN1CCOCC1 Tox21_302027 -NCGC00256645-01 196707042 tox21-ror-cho-viability-p1 set1 4 61.130564862 13.0456934479 -1.0456934479 12 2.6384283767 0.5890565165 0.1064506185 1.48222702 0.82381839 -3.76140087 -3.93879682 -2.95623402 0.08698498 -0.52060007 -0.75667775 1.86102347 -5.45474454 0.45876287 -0.23995775 0.99700754 2.0678629 8.59915562 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 21948-70-9 519907 144212851 A F Pyrazinyl methyl sulfide CSc1cnccn1 Tox21_302534 -NCGC00259299-01 196706639 tox21-ror-cho-viability-p1 set1 4 0.006318776 -9.622439532 11.5 1.877560468 4.9549173134 0.4945827358 0.183850315 11.40771504 11.42170261 7.51699441 -0.70336178 3.97834724 0.75498387 0.00729481 8.98432681 -6.76869961 5.42906445 -0.49220361 3.79263827 1.70829297 0.0865863 5.18304774 1.213E-9 2.713E-9 6.0659999999E-9 1.3559999999E-8 3.033E-8 6.782E-8 1.516E-7 3.391E-7 7.582E-7 0.000001695 0.0000037909999999 0.000008477 0.00001896 0.00004239 0.00009478 98-95-3 7416 144208948 A Ac Nitrobenzene [O-][N+](=O)c1ccccc1 Tox21_201750 -NCGC00259218-01 196706640 tox21-ror-cho-viability-p1 set1 4 -5.30925815 0 -2.75617875 -6.77732889 1.82636556 -4.58151535 0.21197126 -6.06075255 -4.25126226 -7.93530986 -0.36389696 -0.15413984 1.31964915 1.40923605 1.76455978 1.152E-9 2.575E-9 5.759E-9 1.288E-8 2.879E-8 6.439E-8 1.44E-7 3.219E-7 7.199E-7 0.00000161 0.000003599 0.000008048 0.000018 0.00004024 0.00008998 100-54-9 79 144208867 A F 3-Pyridinecarbonitrile N#Cc1cccnc1 Tox21_201669 -NCGC00259279-01 196706642 tox21-ror-cho-viability-p1 set1 4 1.89940326 3.45120813 4.958649 7.35506458 6.18723278 3.68588846 1.06924661 0.30320986 4.69779633 0.99441951 -0.23216193 0.167083 1.40143317 0.24303093 2.36964474 1.136E-9 2.539E-9 5.678E-9 1.27E-8 2.8389999999E-8 6.348E-8 1.4199999999E-7 3.174E-7 7.098E-7 0.0000015869999999 0.000003549 0.000007935 0.000017739999999 0.00003968 0.000088719999999 3724-65-0 19499 144208928 A A 2-Butenoic acid CC=CC(=O)O Tox21_201730 -NCGC00262944-01 196704597 tox21-ror-cho-viability-p1 set1 4 -1.80927001 1.07914278 -2.37095401 -3.92219005 -0.07591062 -2.26286245 -3.58669306 -1.66014319 -3.96941289 -1.69438102 -0.93294978 -0.63589007 -0.93049559 0.00901294 4.25220308 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1050-48-2 66247 170466542 A A Benzilonium bromide [Br-].O=C(OC1CC[N+](CC)(CC)C1)C(O)(c2ccccc2)c3ccccc3 Tox21_113937 -NCGC00091011-05 196704579 tox21-ror-cho-viability-p1 set1 4 61.130564862 9.0198311399 -0.0198311399 9 3.6772481694 0.6343142592 0.0762909138 -0.08979611 0.31372031 -2.51652595 0.45415048 -1.80220437 -2.10029191 0.90486668 1.61122303 -0.602837 1.90401199 0.28198725 2.58421335 1.20044239 1.71580309 7.48484223 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00178382-03 196704586 tox21-ror-cho-viability-p1 set1 4 -0.9925697 4.12613863 4.00011106 0.46527213 -1.36690626 -0.49523645 -0.03390484 5.5683017 -0.02227663 0.03971775 1.18189037 0.15562561 3.30352466 -0.04252685 5.10905296 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6411-75-2 44134533 170466510 Ac 2-Aminoheptane sulfate NC(C)CCCCC.O=S(=O)(O)O.CC(N)CCCCC Tox21_111333_1 -NCGC00015508-16 196704592 tox21-ror-cho-viability-p1 set1 4 0.39928225 3.24042331 3.64011105 1.11194738 2.22318516 0.05893386 3.16172071 2.39783776 2.01548218 3.59409897 1.03747448 0.40657025 7.04273977 4.57134437 1.95783716 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-93-5 3639 170465005 A Hydrochlorothiazide NS(=O)(=O)c2cc1c(NCNS1(=O)=O)cc2Cl Tox21_110165_1 -NCGC00164622-02 196704999 tox21-ror-cho-viability-p1 set1 4 0.65387792 0.25008369 1.40095844 1.01885234 0.89678309 3.12270658 -0.14407255 2.19732484 2.83355962 1.05884455 2.86950345 2.33881231 1.82586675 2.8554055 0.07303332 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 137234-62-9 71616 170464890 A Voriconazole O[C@](Cn1cncn1)([C@@H](C)c2ncncc2F)c3ccc(F)cc3F Tox21_112241_1 -NCGC00249931-01 196705001 tox21-ror-cho-viability-p1 set1 4 -0.38164833 1.41534387 0.9683117 -1.75666637 -0.2858473 -2.2341226 2.02695986 1.24907999 -1.65977015 2.83499748 2.3938872 2.67452178 -2.0994365 3.01795722 3.87123034 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 74639-40-0 71137 170465850 A F Docarpamine CC(=O)N[C@@H](CCSC)C(=O)NCCc1cc(OC(=O)OCC)c(cc1)OC(=O)OCC Tox21_113707 -NCGC00160361-02 196705013 tox21-ror-cho-viability-p1 set1 4 -3.00220958 -2.84091096 1.01001757 -3.78542714 -0.71007387 -0.24890145 -0.70749054 1.18850477 1.05734924 -1.64752635 0.58238842 0.93813691 0.37016391 -2.90329403 -0.087623 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17692-71-6 5399858 170466161 A Vanitiolide S=C(c1ccc(O)c(OC)c1)N2CCOCC2 Tox21_111762_1 -NCGC00015997-10 196705413 tox21-ror-cho-viability-p1 set1 4 -2.28014836 -5.55843172 0.48779886 -4.36888186 -4.46585173 -2.78567012 -3.11403332 -3.71119109 -0.29506 0.635698 -3.80956357 -0.53383176 -1.2142156 -1.36105511 -1.88193088 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 107-35-7 1123 170465726 Z Taurine NCCS(=O)(=O)O Tox21_110277_1 -NCGC00167519-02 196705414 tox21-ror-cho-viability-p1 set1 4 1.37044135 -5.19141543 -1.09200933 0.91483585 -2.90261231 4.07161201 -0.18049829 0.27511193 2.39344038 0.45154226 3.63965444 4.43505509 -0.09241734 1.82464143 0.19986299 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 116649-85-5 123879 170465980 A Ramatroban Fc1ccc(cc1)S(=O)(=O)N[C@H]3Cc4c2ccccc2n(CCC(=O)O)c4CC3 Tox21_112516_1 -NCGC00254304-01 196699433 tox21-ror-cho-viability-p1 set1 -2.2 30.6378586933 -38.24684337 -1.5 -39.74684337 1.21 0.927818901 0.0000605051 -0.65521776 0.25040208 1.04476094 0.63810787 0.52461467 -1.11893486 -4.49217092 0.08676087 -6.09680581 -4.42717014 -7.62175492 -7.06717743 -13.75950334 -20.05063926 -36.80263275 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135080-03-4 9885850 144210782 A Ac CP-100829 O=C(C2c1cc(F)c(Cl)cc1N(C(N)=O)C2=O)c3cc(Cl)cs3 Tox21_300464 -NCGC00024485-08 196704813 tox21-ror-cho-viability-p1 set1 4 4.47759138 0.58163388 3.61781998 0.33193373 2.99021728 2.24534607 0.79383649 5.50370745 0.80401151 2.21340444 0.25807964 4.33226669 1.53734339 1.54298253 5.91314935 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 38090-53-8 5310987 170466883 F (E)-4-amino-2-butenoic acid NC\C=C\C(=O)O Tox21_110902_1 -NCGC00254055-01 196699843 tox21-ror-cho-viability-p1 set1 4 -0.32803359 -0.55966663 -0.56481512 0.69306328 3.16031367 -1.41920976 -0.03629176 -0.99998584 -2.12957604 -0.52218957 -1.79771994 -0.96188132 -0.9820088 3.61695113 6.11782398 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-92-9 311 144210444 A A Citric acid OC(=O)CC(O)(CC(O)=O)C(=O)O Tox21_300124 -NCGC00254626-01 196699032 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -13.054133164 -0.5 -13.554133164 4.9549173134 0.4229263456 0.251122943 -3.30673186 7.73361934 -6.10143458 -0.45475363 -1.17660591 -0.75912216 2.03805885 4.10075864 0.16388077 -3.2308241 -1.29751129 0.88989634 -3.18905643 -1.36768827 -11.29511097 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 35554-44-0 37175 144211037 A A Imazalil Clc2ccc(C(OCC=C)Cn1ccnc1)c(Cl)c2 Tox21_300720 -NCGC00254162-01 196699442 tox21-ror-cho-viability-p1 set1 4 0.4328675 0.79301155 3.66176523 1.13426186 0.35724137 0.22881463 2.84205104 -7.17871871 -2.76881159 3.77770562 3.75895338 0.28154334 6.01242728 0.97826914 5.16958525 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 112-70-9 8207 144210458 A Ac 1-Tridecanol CCCCCCCCCCCCCO Tox21_300138 -NCGC00254179-01 196699856 tox21-ror-cho-viability-p1 set1 4 76.8805649772 -17.3690642159 -2 -19.3690642159 3.9899729863 0.618766463 0.0846607345 -3.43450498 -5.55769854 1.49562945 -5.26677085 0.54787922 -3.40720136 -1.92629023 -2.48708049 -0.11848487 0.29745228 -3.76821089 0.65607147 -6.2406917 -2.00848719 -14.47422018 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 302-79-4 444795 144210625 C D all-trans-Retinoic acid CC=1CCCC(C)(C)C=1/C=CC(\C)=C\C=C\C(\C)=C\C(=O)O Tox21_300305 -NCGC00254145-01 196699862 tox21-ror-cho-viability-p1 set1 4 2.65565004 2.84043804 0.25534954 1.19512557 -4.47564967 -0.4666232 0.05422288 0.76775265 4.87076012 1.46578108 -0.12119442 1.46778957 3.46014098 -0.65847438 6.67305449 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-22-9 8842 144210323 B B Citronellol C\C(C)=C\CCC(C)CCO Tox21_300003 -NCGC00255479-01 196700261 tox21-ror-cho-viability-p1 set1 4 -3.15211794 -2.66183826 -1.66079514 -5.34730191 -4.83415907 3.00399336 -4.36550029 -10.26581302 -4.97840067 -11.69874013 -12.49067262 -2.90358212 -3.89892501 -7.52519285 1.56894878 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 32889-48-8 36274 144212221 A A Procyazine Clc2nc(NC1CC1)nc(NC(C)(C)C#N)n2 Tox21_301904 -NCGC00255719-01 196700264 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -29.05845884 -2 -31.05845884 4.4494702849 0.8507757279 0.0022100008 0.10253003 -2.12228782 0.20642395 -3.06073825 -3.29394129 -3.17661441 -5.79880668 -4.20523092 -3.76096538 -1.92779325 4.36631646 1.2252761 -2.95811108 -4.41693327 -25.0487157 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 465-73-6 60196420 144211746 A A Isodrin ClC3=C(Cl)[C@]4(Cl)[C@@H]2[C@@H]1C[C@H](C=C1)[C@@H]2[C@@]3(Cl)C4(Cl)Cl Tox21_301429 -NCGC00255252-01 196700691 tox21-ror-cho-viability-p1 set1 4 -1.1662547 -0.96088921 0.46240249 -0.97435223 2.41385631 6.29231842 0.5232835 2.28065866 0.49902794 1.40914484 2.2253676 0.2914492 0.53575362 8.34122438 2.12957846 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76963-41-2 4513 144211911 A F Nizatidine CN(C)Cc1nc(CSCCNC(=C[N+]([O-])=O)NC)cs1 Tox21_301594 -NCGC00255211-01 196701094 tox21-ror-cho-viability-p1 set1 4 -1.97790844 2.05904708 -2.03922026 -13.40045146 -3.38769245 -6.94456666 -8.0383361 -3.141099 -12.01642999 -3.82928356 0.70408408 2.17820792 -10.16174649 -5.2642343 6.02351557 5.2499999999E-10 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 6683-19-8 64819 144212287 A Irganox 1010 CC(C)(C)c1cc(cc(c1O)C(C)(C)C)CCC(=O)OCC(COC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)(COC(=O)CCc3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)COC(=O)CCc4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C Tox21_301970 -NCGC00255205-01 196701102 tox21-ror-cho-viability-p1 set1 4 21.6899429044 -22.510083732 -0.5 -23.010083732 0.6 0.7176706186 0.0307391213 0.61375799 1.14825475 0.85171886 -5.22639542 0.15307255 0.86820454 -3.90317377 -0.20084006 -7.03569685 -9.73461592 1.29370401 -6.07145738 -14.98090179 -13.28322196 -17.50840311 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 598-55-0 11722 144211705 A Methyl carbamate NC(=O)OC Tox21_301388 -NCGC00257788-01 196730024 tox21-ror-cho-viability-p1 set3 4 0.0172639819 -5.3111335959 1 -4.3111335959 4.9549173134 0.358634588 0.313519823 1.02919593 0.08545062 1.63609382 -0.15886478 -4.76325112 -2.46273606 -0.00057558 -7.92670282 -7.68791086 -0.47442588 -12.34261133 -3.22838462 -2.5156214 -2.4916852 -4.34268942 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.386E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 3173-53-3 18502 144207432 F Isocyanatocyclohexane O=C=N/C1CCCCC1 Tox21_200234 -NCGC00257578-01 196730026 tox21-ror-cho-viability-p1 set3 4 0.4338004 -0.62726248 -0.74470029 -0.64013891 -3.35894333 -3.13774996 -6.21250944 -2.0436735 -31.6886275 0.0926425 -0.28055337 -3.66470576 -5.55987562 -2.09998514 -4.03115505 1.2009999999E-9 2.686E-9 6.007E-9 1.3429999999E-8 3.003E-8 6.716E-8 1.5019999999E-7 3.358E-7 7.509E-7 0.000001679 0.000003754 0.0000083949999999 0.000018769999999 0.00004197 0.00009386 78-84-2 6561 144207222 FC 2-Methylpropanal CC(C)C=O Tox21_200024 -NCGC00258203-01 196729266 tox21-ror-cho-viability-p1 set3 4 1.59574118 -5.34003239 -3.59182537 -4.48433261 2.79555088 -5.43279195 2.62112954 -1.6710523 -4.32603043 -0.86659359 -13.39217661 -2.63998562 -2.62764237 2.46471049 2.21939327 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.299E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.00001844 0.00004124 0.00009222 315-18-4 9414 144207847 A C Mexacarbate O=C(Oc1cc(C)c(c(C)c1)N(C)C)NC Tox21_200649 -NCGC00255436-01 196728850 tox21-ror-cho-viability-p1 set3 4 -2.98027493 3.57914704 2.74536558 0.13642573 -0.65345659 3.89597413 1.79805012 0.78442141 2.23347298 1.29185478 4.88596694 -3.40897486 -3.07961736 -1.81890453 -1.87325455 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 145-13-1 8955 144212458 A A Pregnenolone CC(=O)[C@H]4CC[C@@H]3[C@]4(C)CC[C@H]2[C@H]3CC=C1C[C@@H](O)CC[C@@]12C Tox21_302141 -NCGC00257399-01 196707898 tox21-ror-cho-viability-p1 set1 4 2.1689942904 -6.8291193359 6.5 -0.3291193359 4.9549173134 0.5022722282 0.1942068545 5.99865105 5.1775251 4.73375319 6.29510985 6.99345096 7.7701742 3.79962793 6.4662884 10.47192985 6.04337154 -2.81615704 -1.09933 -4.44093278 7.56199794 5.29823616 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1569-01-3 15286 144213725 Ac 1-Propoxy-2-propanol CC(O)COCCC Tox21_303414 -NCGC00257089-01 196707469 tox21-ror-cho-viability-p1 set1 -1.1 1.0588775044 -107.419729261 6.2462524091 -101.1734768519 0.6999999999 0.9636542246 0.0000014325 6.62682024 5.00024928 0.46937093 -1.62345696 0.27684983 2.6266307 7.74851458 -23.47557361 -38.20341667 -46.77667878 -45.4232351 -66.82985805 -87.04063768 -96.35569224 -88.72359542 5.898E-10 1.319E-9 2.9489999999E-9 6.5939999999E-9 1.4739999999E-8 3.297E-8 7.3719999999E-8 1.6489999999E-7 3.6859999999E-7 8.243E-7 0.000001843 0.000004121 0.000009216 0.000020609999999 0.00004608 13463-41-7 26041 144213522 A Zinc pyrithione [O-][n+]2ccccc2S[Zn]Sc1cccc[n+]1[O-] Tox21_303205 -NCGC00257296-01 196707476 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -40.5815460515 -12.705208476 -53.2867545275 0.8999999999 0.7236290598 0.028367517 -10.72832288 -15.56363601 -13.35052304 -8.32547012 -8.08767373 -9.73688672 -14.54906722 -11.55070105 -20.76091171 -18.81758968 -22.88865526 -12.21204387 -22.12773253 -23.99724314 -40.36875343 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149413-74-1 10159191 144213784 A A FR150011 O=C(O)Cc4ccccc4COc1cc2cc(oc2cc1)c3nc(cs3)C(C)(C)C Tox21_303474 -NCGC00256949-01 196707887 tox21-ror-cho-viability-p1 set1 4 -4.40229501 -11.0771795 -3.35226422 0.19493471 0.57282833 -9.79334561 -0.5359985 -0.74999162 -9.14881285 -12.95178238 -7.40088503 -0.5371716 -4.0621164 0.51536779 1.20620617 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-01-3 31237 144213378 A Fns Dodecylbenzene CCCCCCCCCCCCc1ccccc1 Tox21_303061 -NCGC00257337-01 196708290 tox21-ror-cho-viability-p1 set1 4 0.0100057548 -11.8467491799 -5.83950928 -17.6862584599 1.4641 0.5028820529 0.176012207 -11.81421118 -1.5329244 -9.65467105 -6.03275103 -21.59164224 -17.39915198 -16.62256272 -19.15234445 -24.32188205 -16.42060497 -20.92800752 -11.25807453 -18.29877534 -14.82813914 -14.56712256 8.258E-10 1.8469999999E-9 4.1289999999E-9 9.2329999999E-9 2.065E-8 4.616E-8 1.032E-7 2.308E-7 5.161E-7 0.0000011539999999 0.000002581 0.0000057709999999 0.0000129 0.00002885 0.00006452 3777-69-3 19602 144213848 F Fns 2-Pentylfuran CCCCCc1ccco1 Tox21_303542 -NCGC00257450-01 196708292 tox21-ror-cho-viability-p1 set1 4 0.43991321 2.63909501 -1.57344447 -0.41593579 1.90160224 3.60045014 3.69852434 0.62514683 3.42955316 -1.67637486 1.03078966 3.98343899 -1.72590608 2.06856479 2.93491876 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6375-47-9 80779 144213738 A A N-(3-Amino-4-methoxyphenyl)acetamide Nc1cc(ccc1OC)NC(C)=O Tox21_303427 -NCGC00257155-01 196708313 tox21-ror-cho-viability-p1 set1 4 -0.21326301 1.15765985 -2.47191469 -0.98544684 0.6504424 -1.50972645 10.09608475 1.34039028 9.72664211 -3.1480505 -2.20018879 3.30455406 0.27993377 10.13108977 11.30330119 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-65-2 7153 144213652 Ac Ac Mecoprop Clc1cc(C)c(OC(C)C(=O)O)cc1 Tox21_303335 -NCGC00259551-01 196708721 tox21-ror-cho-viability-p1 set2 4 2.70971006 1.48408973 0.64660958 2.02425782 -1.41918668 -0.84222887 -0.87107063 1.00372266 1.30568895 2.73392999 0.39043036 4.27749969 1.0869771 5.16429514 3.0248513 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004125 0.00009223 3319-31-1 18725 144209200 AC Ac Tris(2-ethylhexyl) trimellitate CCC(CCCC)COC(=O)c1cc(C(=O)OCC(CC)CCCC)c(cc1)C(=O)OCC(CC)CCCC Tox21_202002 -NCGC00259593-01 196706659 tox21-ror-cho-viability-p1 set1 4 5.44389401 6.17978114 9.39519567 4.13924401 1.31183427 0.40790802 -5.04187385 5.31003373 -0.32910753 10.80839138 2.34839399 2.56133391 2.07305054 5.38416639 1.38814879 1.155E-9 2.582E-9 5.7739999999E-9 1.291E-8 2.887E-8 6.456E-8 1.444E-7 3.2279999999E-7 7.2179999999E-7 0.000001614 0.0000036089999999 0.00000807 0.000018039999999 0.00004035 0.00009022 2436-90-0 17090 144209242 FNS 3,7-Dimethylocta-1,6-diene C=CC(C)CC\C=C(\C)C Tox21_202044 -NCGC00259401-01 196705838 tox21-ror-cho-viability-p1 set1 4 -8.02447852 6.62007187 0.43018298 -3.86431884 -4.64200678 -1.07268892 -3.98559244 0.32171579 -3.65482484 0 -0.37362633 -5.01143708 -4.09891443 1.2182395 -9.38506714 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.000091989999999 544-63-8 11005 144209050 A A Tetradecanoic acid O=C(O)CCCCCCCCCCCCC Tox21_201852 -NCGC00259242-01 196706238 tox21-ror-cho-viability-p1 set1 4 3.20395084 -0.89463557 -7.58145575 4.74230143 -1.52210641 1.30054716 -1.77029308 -3.28363025 3.89746211 7.90722945 -0.01669872 0.83674549 0.85316984 1.75210007 1.42990183 1.1429999999E-9 2.556E-9 5.716E-9 1.278E-8 2.858E-8 6.39E-8 1.429E-7 3.1949999999E-7 7.145E-7 0.000001598 0.000003572 0.000007988 0.00001786 0.000039939999999 0.00008931 109-06-8 7975 144208891 FC 2-Methylpyridine Cc1ccccn1 Tox21_201693 -NCGC00259833-01 196706252 tox21-ror-cho-viability-p1 set1 4 5.44480793 -2.51102238 -1.41325564 0.79394189 0.47615759 1.73330527 -1.75241926 0.20096866 -0.87673052 -2.61454921 1.4883409 2.58781315 0.07852054 3.73448211 1.08451048 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 87-51-4 802 144209482 A A Indole-3-acetic acid O=C(O)Cc2cnc1ccccc12 Tox21_202284 -NCGC00259067-01 196706667 tox21-ror-cho-viability-p1 set1 4 0.88653263 -1.66979678 -4.69554912 -8.74687029 -0.51323696 -1.69809311 -0.45450538 -0.12597382 -0.32518906 -0.51811253 0.50800489 -2.6336049 0.38486016 0.82860541 0.96139392 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.476E-7 3.3009999999E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008253 0.00001846 0.00004127 0.000092279999999 142-62-1 8892 144208715 A A Hexanoic acid CCCCCC(=O)O Tox21_201517 -NCGC00259025-01 196706056 tox21-ror-cho-viability-p1 set1 4 3.06640935 2.42779219 1.33081413 1.74135228 -0.71425799 4.13144151 2.24237365 -0.50468621 4.85051909 0.97614132 -0.4275617 4.15105936 -0.3643473 1.01926282 2.6752696 1.165E-9 2.6039999999E-9 5.8229999999E-9 1.302E-8 2.911E-8 6.51E-8 1.456E-7 3.255E-7 7.2779999999E-7 0.0000016269999999 0.000003639 0.000008137 0.0000182 0.00004069 0.00009098 626-17-5 12276 144208672 A A 1,3-Benzenedicarbonitrile N#Cc1cccc(C#N)c1 Tox21_201474 -NCGC00164558-02 196705240 tox21-ror-cho-viability-p1 set1 4 -0.13629876 1.06198018 -0.22945571 1.07305783 0.36873768 2.8840047 0.66274525 5.09617961 1.92065656 1.63242306 6.21449713 0.39970047 1.07641847 1.69069805 2.75342628 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2765-97-1 53398649 170466467 A Pargeverine hydrochloride Cl.CN(C)CCOC(=O)C(OCC#C)(c1ccccc1)c2ccccc2 Tox21_112187_1 -NCGC00091761-07 196705244 tox21-ror-cho-viability-p1 set1 4 -2.44728081 -1.07047138 -8.35123879 -3.75792093 -7.55925449 -2.62442284 -6.03726404 -4.41479814 -1.93190089 -2.49671894 -4.22985027 -2.4837339 0.5812816 0.88766876 -6.04123419 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 128-37-0 31404 170466785 F Butylated hydroxytoluene CC(C)(C)c1cc(C)cc(c1O)C(C)(C)C Tox21_113537_1 -NCGC00259643-01 196705655 tox21-ror-cho-viability-p1 set1 4 -2.20991 4.52419148 0.18884072 0.02081993 -2.02775776 -0.96996536 -0.06196925 1.43166372 3.16262405 11.74258624 -3.16909662 3.78586751 1.15667008 6.42498171 -0.7976691 1.2169999999E-9 2.7209999999E-9 6.0849999999E-9 1.361E-8 3.0429999999E-8 6.804E-8 1.521E-7 3.402E-7 7.607E-7 0.0000017009999999 0.000003803 0.0000085039999999 0.000019019999999 0.00004252 0.000095079999999 66-27-3 4156 144209292 D Methyl methanesulfonate CS(=O)(=O)OC Tox21_202094 -NCGC00259617-01 196706065 tox21-ror-cho-viability-p1 set1 4 3.93437178 -4.61247387 2.08756184 3.84131499 0.0588809 0.55697482 3.21732258 0.96201886 3.95632786 11.3416431 2.53342056 3.82868894 -1.54049647 5.40144826 3.16445773 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.9479999999E-8 6.591E-8 1.474E-7 3.295E-7 7.369E-7 0.000001648 0.000003684 0.000008239 0.00001842 0.00004119 0.00009211 78491-02-8 62277 144209266 D Diazolidinyl urea OCN1C(=O)N(CO)C(=O)C1N(CO)C(=O)NCO Tox21_202068 -NCGC00259842-01 196706069 tox21-ror-cho-viability-p1 set1 4 2.10551157 10.46717338 3.73051688 7.01048625 1.62287356 0.12819385 2.01270581 2.17931736 6.34733434 12.99475325 0.24794256 1.81196753 2.5487878 0.59986807 3.2962916 1.191E-9 2.664E-9 5.9569999999E-9 1.332E-8 2.979E-8 6.66E-8 1.489E-7 3.33E-7 7.446E-7 0.000001665 0.0000037229999999 0.0000083249999999 0.00001862 0.00004163 0.00009308 7790-98-9 24639 144209491 B Ammonium perchlorate [NH4+].[O-]Cl(=O)(=O)=O Tox21_202293 -NCGC00259818-01 196706070 tox21-ror-cho-viability-p1 set1 4 7.03863658 -6.74719455 0.8545001 0.26227836 6.11761246 1.74358511 -0.17350568 0.32736801 -6.63233554 -2.04556379 0.48022395 2.87209043 -1.06241478 -1.20356566 -2.42212644 1.163E-9 2.601E-9 5.817E-9 1.301E-8 2.908E-8 6.5039999999E-8 1.454E-7 3.252E-7 7.2709999999E-7 0.0000016259999999 0.000003636 0.000008129 0.00001818 0.00004065 0.000090889999999 63-05-8 6128 144209467 A A 4-Androstene-3,17-dione O=C2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_202269 -NCGC00259512-01 196706076 tox21-ror-cho-viability-p1 set1 4 -6.95062651 -4.75204063 -7.60213406 -11.53841032 -1.60810999 -0.88138645 -11.81016089 -0.1146029 -0.98909551 -16.48867061 -1.85368373 1.94357987 -0.84643877 0.09011514 -1.25671721 1.175E-9 2.628E-9 5.877E-9 1.314E-8 2.9389999999E-8 6.571E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003673 0.000008214 0.00001837 0.00004107 0.00009183 99-66-1 3121 144209161 A A Valproic acid CCCC(CCC)C(=O)O Tox21_201963 -NCGC00259303-01 196706474 tox21-ror-cho-viability-p1 set1 4 21.1836128548 -37.045993252 10.5 -26.545993252 0.2 0.5191701746 0.1614011063 5.78010054 10.31307682 2.27415146 3.56809131 2.25385898 0.30045175 -0.863843 1.09857424 -15.28935951 -0.22157237 2.26292962 0.24372126 -5.49919588 -7.12506377 -18.78832771 1.157E-9 2.587E-9 5.786E-9 1.2939999999E-8 2.8929999999E-8 6.4689999999E-8 1.446E-7 3.234E-7 7.2319999999E-7 0.000001617 0.0000036159999999 0.000008086 0.000018079999999 0.00004043 0.0000904 104-91-6 7729 144208952 FC 4-Nitrosophenol O=Nc1ccc(O)cc1 Tox21_201754 -NCGC00259632-01 196706475 tox21-ror-cho-viability-p1 set1 4 1.61390181 2.14538118 2.02823631 2.46869765 3.122586 1.37090668 -0.6230547 -0.68138017 4.14969241 8.59447257 -5.52519514 0.92799004 -0.51737718 0.94440083 1.79851832 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.000003681 0.00000823 0.000018399999999 0.00004115 0.00009201 111-55-7 8121 144209281 B A 1,2-Ethanediol diacetate CC(=O)OCCOC(=O)C Tox21_202083 -NCGC00257739-01 196701527 tox21-ror-cho-viability-p1 set1 4 6.66714781 -0.64166724 6.04054045 9.27125772 3.72952684 -0.52152237 1.19324217 1.02881238 4.37386521 0.05669828 0.08962548 0.29884996 3.67120382 0.90763507 3.82518503 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.875E-8 6.429E-8 1.438E-7 3.215E-7 7.188E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.00004018 0.000089849999999 13284-42-9 25833 144207383 FNS 2-Pentenenitrile CCC=CC#N Tox21_200185 -NCGC00257942-01 196701507 tox21-ror-cho-viability-p1 set1 4 -3.20867854 -1.61938561 -4.68690769 -0.28562589 -6.95008543 -3.55707801 -1.87108263 -4.57470829 1.70026547 -7.44761592 -0.46196766 0.55320572 -8.9059594 3.92804122 -1.78961367 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.00004125 0.000092249999999 100-40-3 7499 144207586 FNS 4-Vinylcyclohexene C=CC1CC=CCC1 Tox21_200388 -NCGC00258051-01 196701521 tox21-ror-cho-viability-p1 set1 4 2.68576215 0.69672313 3.37327956 -2.06223227 -0.35462007 5.44266116 8.20430512 -0.52030141 2.07533577 2.46633319 -1.64827088 3.07034522 2.16914039 1.22652888 1.71197451 1.173E-9 2.624E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.000003667 0.0000081989999999 0.00001833 0.00004099 0.000091659999999 68-89-3 522325 144207695 A F Dipyrone [Na+].[O-]S(=O)(=O)CN(C)C=2C(=O)N(c1ccccc1)N(C)C=2C Tox21_200497 -NCGC00258690-01 196701524 tox21-ror-cho-viability-p1 set1 4 5.57062702 0.30911586 -0.80637639 1.02065835 -0.50454068 0.56736058 3.96624291 -0.35265276 2.48344758 0.01958196 3.78629484 -0.74357848 1.32382972 1.35698133 4.97958537 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.635E-8 1.484E-7 3.317E-7 7.4179999999E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.000041469999999 0.000092719999999 609-14-3 701 144208336 A B Ethyl-2-methyl acetoacetate O=C(C)C(C)C(=O)OCC Tox21_201138 -NCGC00253613-01 196726205 tox21-ror-cho-viability-p1 set3 4 0.0211316824 10.18163356 1.81836644 12 4.9549173134 0.4681747065 0.2072932731 1.09329653 3.04202212 4.62492453 -1.4013613 2.45576301 11.42991727 12.53800162 22.63074394 4.85721755 16.77236036 16.12913517 6.19826352 6.11442287 4.87890583 17.48649849 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 144-14-9 8944 170465266 A Anileridine O=C(OCC)C2(CCN(CCc1ccc(N)cc1)CC2)c3ccccc3 Tox21_113744 -NCGC00182991-01 196725796 tox21-ror-cho-viability-p1 set3 1.4 0.0118832183 21.459345104 -5.459345104 16 0.4999999999 0.7582423775 0.0171445005 -1.21612092 0.00527229 2.04702614 3.53431864 2.9638846 9.50348346 14.66934217 7.59544071 13.97897334 7.19502109 21.84634025 15.22111696 12.36946807 18.47643159 14.3223941 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1492-02-0 3489 144206873 A A Glybuzole O=S(=O)(Nc1nnc(s1)C(C)(C)C)c2ccccc2 Tox21_113322 -NCGC00159422-04 196725809 tox21-ror-cho-viability-p1 set3 4 3.41796968 -3.46561757 4.69452765 4.15465567 3.58462471 -0.14075017 -2.06612849 -2.72662877 -4.10769939 -2.28258471 -0.08215604 1.9977917 2.00094058 3.4602907 2.42048781 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1953-02-2 5483 170465217 D Tiopronin OC(=O)CNC(=O)C(C)S Tox21_111654_1 -NCGC00261973-01 196726202 tox21-ror-cho-viability-p1 set3 4 2.3710137656 12.405178712 -6.405178712 6 0.5999999999 0.5645063168 0.1242227172 -2.44617928 -11.17098226 -5.33238946 -4.69856742 -7.75001538 -4.06600121 -7.13027081 -6.95763728 -2.02609552 1.10118838 3.2615184 -7.47998705 3.70226945 4.27029244 4.50431541 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 32838-28-1 2486 170466034 B A Butoctamide semisuccinate CC(CC(=O)NCC(CC)CCCC)OC(=O)CCC(=O)O Tox21_113893 -NCGC00091468-02 196724207 tox21-ror-cho-viability-p1 set3 4 19.6658616925 15.9558993079 -6.9558993079 9 1.01 0.5596241396 0.127886346 -2.06909079 2.43502541 -10.67452202 -11.62991609 -8.36276237 -9.57087796 -4.96962719 -6.76339589 -9.60897286 -6.81095321 -3.85968049 1.52098591 -3.69839249 6.15918172 6.02830854 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00260408-01 196724215 tox21-ror-cho-viability-p1 set3 4 -1.39811422 5.431371 -1.79139174 -2.7979043 -1.88903721 2.74400094 2.63183208 -3.6099729 -0.88856889 -0.30132653 5.37828972 -6.71423756 2.92501002 5.37579346 -1.84486466 1.18E-9 2.6389999999E-9 5.9009999999E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.000001649 0.000003688 0.0000082469999999 0.00001844 0.00004124 0.000092209999999 638-45-9 12527 144210060 F F Hexane,1-iodo- CCCCCCI Tox21_202862 -NCGC00260533-01 196724221 tox21-ror-cho-viability-p1 set3 4 -7.05060849 -3.36905927 -2.96711879 -8.40022541 2.97845115 -3.82815954 1.79496137 -0.73901761 -2.69743419 -0.58895831 3.04692253 0.37239809 -10.31275964 2.69470006 5.02981181 1.158E-9 2.589E-9 5.7879999999E-9 1.2939999999E-8 2.894E-8 6.472E-8 1.447E-7 3.2359999999E-7 7.235E-7 0.000001618 0.000003618 0.000008089 0.000018089999999 0.00004045 0.00009044 59-87-0 5447130 144210186 F F Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_202988 -NCGC00090952-07 196724224 tox21-ror-cho-viability-p1 set3 4 -6.29975913 0.07103675 -2.72112886 -10.55428178 1.75821277 2.25748899 -5.4201496 -1.10986781 -4.29218989 -2.67979288 -0.92236025 -3.21592264 -5.86058224 -6.07669426 1.68279625 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00254227-01 196714107 tox21-ror-cho-viability-p1 set2 4 0.20135424 -0.87062697 -1.22093626 0.0482313 -0.08528058 0.9568008 0.3182622 0.72619327 -0.95635994 6.40795587 6.1916984 1.20890006 5.74097989 7.57749229 4.72454772 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-48-5 6479 144210478 A F 1,3-Dibromo-5,5-dimethylhydantoin O=C1N(Br)C(=O)N(Br)C1(C)C Tox21_300158 -NCGC00254178-01 196714089 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -12.265745808 0 -12.265745808 4.9549173134 0.5436425602 0.1424379952 -0.99015452 -0.67362409 0.32356119 0.71323151 -1.62197643 0.55108814 -0.63922974 0.27320894 -1.6503187 -1.94474083 -0.62437376 0.81415856 0.38305389 7.26401029 -10.22145484 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1948-33-0 16043 144210401 Ac Ac tert-Butylhydroquinone CC(C)(C)c1cc(O)ccc1O Tox21_300081 -NCGC00253946-01 196714094 tox21-ror-cho-viability-p1 set2 4 0.0096786897 -8.4911592479 0.5 -7.9911592479 4.9549173134 0.4849996167 0.2096030605 0.39392892 -0.10169655 0.22387294 -7.13785861 -5.77887712 -9.48090238 -8.12462232 -17.07596604 -10.5111829 -5.63775538 -8.00985786 -4.98474718 -5.37405656 -2.08522742 1.01545333 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 123-25-1 31249 144210606 A A Diethyl butanedioate O=C(CCC(=O)OCC)OCC Tox21_300286 -NCGC00253966-01 196714106 tox21-ror-cho-viability-p1 set2 4 -5.24803849 1.18974605 -3.95282889 2.46788961 0.2204679 -5.16314912 -7.70089679 -0.8616617 -1.93845761 -2.60554914 -2.10640905 -4.70462878 2.0209187 -3.77279951 -2.04720616 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-11-2 7910 144210403 A Ac 4-Methyl-2-pentanol CC(C)CC(C)O Tox21_300083 -NCGC00259686-01 196709145 tox21-ror-cho-viability-p1 set2 4 -1.61080779 -4.55058637 -6.24703679 2.05507466 -2.09353399 -3.19809429 -6.22213371 -2.0001327 -4.62108779 -6.34446751 -2.26925038 -3.22705386 -1.74387452 -1.96975582 3.24147534 1.185E-9 2.6499999999E-9 5.926E-9 1.325E-8 2.9629999999E-8 6.625E-8 1.481E-7 3.3129999999E-7 7.407E-7 0.000001656 0.000003704 0.000008281 0.00001852 0.000041409999999 0.000092589999999 119-84-6 660 144209335 B Fns 3,4-Dihydrocoumarin O=C1CCc2ccccc2O1 Tox21_202137 -NCGC00259523-01 196708723 tox21-ror-cho-viability-p1 set2 4 -0.76227203 0.3985979 2.49656021 -0.65488731 1.06380698 2.35848839 1.16177406 1.94581966 2.19047641 -0.33040424 -0.17112582 1.11787346 0.87411377 1.53129571 1.66586517 1.1699999999E-9 2.617E-9 5.852E-9 1.3079999999E-8 2.926E-8 6.542E-8 1.463E-7 3.271E-7 7.315E-7 0.0000016359999999 0.000003657 0.000008178 0.00001829 0.000040889999999 0.00009143 103-76-4 7677 144209172 A A 1-Piperazineethanol OCCN1CCNCC1 Tox21_201974 -NCGC00259151-01 196709124 tox21-ror-cho-viability-p1 set2 4 -3.03299101 -0.49684456 -3.12438778 -12.41878504 -0.84534393 -1.27600648 1.07499218 -0.81221399 -0.04673961 -2.65834592 -0.83333585 -1.65567368 -2.64446823 0.53227811 -1.70520751 1.1859999999E-9 2.651E-9 5.929E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008286 0.00001853 0.000041429999999 0.00009264 110-97-4 8086 144208800 A A Diisopropanolamine CC(O)CNCC(C)O Tox21_201602 -NCGC00258884-01 196709141 tox21-ror-cho-viability-p1 set2 4 30.077889099 -13.9190246559 -1.5 -15.4190246559 3.1319983358 0.8234098603 0.0047282413 1.13656806 -4.27567772 -2.20826047 -6.7583752 -1.3637934 -1.85084044 0.08776316 -0.52237113 -0.65393592 -1.15976187 -0.37767246 -1.8775673 -3.05172908 -11.8505174 -14.51585388 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.4519999999E-7 3.2479999999E-7 7.2619999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 99-51-4 7440 144208530 A A 1,2-Dimethyl-4-nitrobenzene Cc1ccc(cc1C)[N+](=O)[O-] Tox21_201332 -NCGC00259699-01 196709147 tox21-ror-cho-viability-p1 set2 4 6.99083289 -0.16821298 -1.7841389 1.0305863 6.98468612 -1.39890662 -0.80440352 0.58934988 -1.28872332 -0.45874695 -1.35902669 -0.23223113 -1.2151577 0.97167938 1.32476371 1.474E-9 3.2969999999E-9 7.372E-9 1.648E-8 3.6859999999E-8 8.2419999999E-8 1.8429999999E-7 4.121E-7 9.215E-7 0.000002061 0.000004608 0.0000103 0.00002304 0.000051509999999 0.0001152 7328-97-4 62630 144209348 D 2,2',2'',2'''-[Ethane-1,1,2,2-tetrayltetrakis(4,1-phenyleneoxymethylene)]tetraoxirane c2cc(OCC1CO1)ccc2C(c4ccc(OCC3CO3)cc4)C(c6ccc(OCC5CO5)cc6)c8ccc(OCC7CO7)cc8 Tox21_202150 -NCGC00259718-01 196709553 tox21-ror-cho-viability-p1 set2 -2.2 25.0311222451 -36.6699018974 -0.5 -37.1699018974 2.09374246 0.9760233901 1.353E-7 1.79360601 -2.50519112 0.96538298 -1.44253487 -0.20736106 -0.84291776 -1.42725313 -0.99963217 -1.75572321 -1.81802247 -1.44250506 -0.22336318 -15.36738292 -25.66117179 -36.93127637 1.208E-9 2.7E-9 6.038E-9 1.3499999999E-8 3.019E-8 6.751E-8 1.51E-7 3.375E-7 7.548E-7 0.0000016879999999 0.0000037739999999 0.000008439 0.00001887 0.000042189999999 0.000094349999999 13311-84-7 3397 144209367 A A Flutamide O=C(Nc1cc(c(cc1)[N+]([O-])=O)C(F)(F)F)C(C)C Tox21_202169 -NCGC00256270-01 196709956 tox21-ror-cho-viability-p1 set2 4 2.38244114 6.5294624 6.51168528 5.78858172 6.22080021 2.70483831 2.81067448 0.48159796 0.12729488 -0.39440305 0.53384494 0.69294975 0.98801913 2.57773013 3.08524483 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-27-7 66609 144211718 A Fc 2,6-Di-tert-butyl-4-[(dimethylamino)methyl]phenol CC(C)(C)c1cc(cc(c1O)C(C)(C)C)CN(C)C Tox21_301401 -NCGC00256259-01 196709963 tox21-ror-cho-viability-p1 set2 4 1.50366368 -3.81759839 -1.69265971 -3.69250414 -2.86153811 0.57086283 -0.98467738 0.39591749 -4.56985485 -3.72896052 0.04811731 0.71290181 -2.35497165 0.04964301 1.43888043 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1660-95-3 74266 144211584 A A Tetraisopropyl methylenediphosphonate O=P(CP(=O)(OC(C)C)OC(C)C)(OC(C)C)OC(C)C Tox21_301267 -NCGC00090750-04 196706476 tox21-ror-cho-viability-p1 set1 4 0.0082804 -3.49373216 -11.96806397 0.70790198 -0.1110449 -2.77020454 -7.07885578 -8.38483063 8.37727033 0 0.25504925 -7.68842584 -4.91930128 -2.04141083 -11.20604609 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00091902-08 196711035 tox21-ror-cho-viability-p1 set2 4 4.70491886 0.67711943 -0.23897816 0.48818723 -1.25592733 0.48945338 0.82321528 1.61627936 -1.12134854 0.79019747 1.11416318 1.37962205 0.58370147 0.35709265 -0.57790959 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00259645-01 196706898 tox21-ror-cho-viability-p1 set1 4 77.9773608735 21.55800662 -3.55800662 18 4.9549173134 0.3884497361 0.2829719017 -3.73870601 -1.00368682 -4.56713244 5.69447855 -5.47422029 -0.68177015 -4.16476826 -5.41753919 -17.54833885 -6.50513289 -2.02502212 -0.05279206 2.13116786 -4.65915687 12.40931116 1.193E-9 2.667E-9 5.964E-9 1.333E-8 2.982E-8 6.6669999999E-8 1.491E-7 3.3339999999E-7 7.4539999999E-7 0.0000016669999999 0.0000037269999999 0.0000083339999999 0.00001864 0.00004167 0.00009318 127-17-3 1060 144209294 D 2-Oxopropanoic acid CC(=O)C(=O)O Tox21_202096 -NCGC00259015-01 196706494 tox21-ror-cho-viability-p1 set1 4 1.85400522 1.3042478 0.69069512 4.76028669 5.01256692 -0.3574491 1.13999769 -5.84796358 0.10811392 12.75460267 -0.0287609 4.43570512 -0.34593414 1.83754784 4.70560261 1.183E-9 2.645E-9 5.913E-9 1.322E-8 2.9569999999E-8 6.611E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.0000082639999999 0.00001848 0.00004132 0.0000924 99-99-0 7473 144208662 A A 4-Nitrotoluene Cc1ccc(cc1)[N+](=O)[O-] Tox21_201464 -NCGC00259968-01 196706887 tox21-ror-cho-viability-p1 set1 4 7.14218927 4.26922125 4.45825646 5.45026368 0.51085097 -1.94146829 0.31754334 -2.45782142 -1.97608274 15.18912776 4.70996309 5.08510599 -0.34902083 -1.79751064 1.69064168 1.148E-9 2.566E-9 5.738E-9 1.2829999999E-8 2.8689999999E-8 6.415E-8 1.434E-7 3.2079999999E-7 7.1719999999E-7 0.000001604 0.0000035859999999 0.0000080189999999 0.00001793 0.00004009 0.00008965 156-60-5 638186 144209617 FC (E)-1,2-Dichloroethylene Cl\C=C\Cl Tox21_202419 -NCGC00256502-01 196707310 tox21-ror-cho-viability-p1 set1 4 2.1142986 1.63165559 1.24959044 0.13025193 0.53451051 1.73516479 3.26270317 -0.40776673 -0.048983 0.75196024 -1.05565485 0.08390905 -0.75015899 3.8605431 7.02650805 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 105-53-3 7761 144213248 Z A Diethyl propanedioate O=C(CC(=O)OCC)OCC Tox21_302931 -NCGC00256926-01 196707323 tox21-ror-cho-viability-p1 set1 4 0.5549529 -0.3809331 2.23005375 -2.09898966 -1.46816316 -1.73341867 -2.97924205 -0.80132133 -6.03852238 -0.45492709 -1.4278579 0.5615128 -0.6932512 -0.82562795 0.83714914 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-42-6 7016 144213045 A Ac 1,1'-Bi(cyclohexyl)-2-one O=C1CCCCC1C2CCCCC2 Tox21_302728 -NCGC00256569-01 196707721 tox21-ror-cho-viability-p1 set1 4 27.3060203028 -17.0408736039 1 -16.0408736039 4.0949729863 0.9829710061 1.89E-8 -0.0611266 0.3772992 1.27495513 1.61846949 0.20205356 0.12321803 2.59778167 1.28744209 1.29805393 1.71386608 0.38486697 0.40335432 -1.84490435 -13.27097218 -15.86739467 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-91-0 68570 144213948 A A 17alpha-Estradiol Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@H](O)CC[C@@H]12)c4cc3 Tox21_303644 -NCGC00257456-01 196707724 tox21-ror-cho-viability-p1 set1 4 -8.66328674 1.35234438 0.61671016 -4.1608645 -8.29338504 2.0288968 -3.40447204 8.11365507 -3.38338901 -10.1990706 -13.166449 -2.66584893 0.79386579 -3.27019742 -5.6344171 7.314E-10 1.636E-9 3.657E-9 8.1779999999E-9 1.829E-8 4.089E-8 9.1429999999E-8 2.0439999999E-7 4.571E-7 0.000001022 0.000002286 0.000005111 0.000011429999999 0.00002556 0.00005714 521-18-6 10635 144213957 A F 5alpha-Dihydrotestosterone O=C3C[C@@H]4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)CC[C@@H]12)[C@@]4(C)CC3 Tox21_303655 -NCGC00257463-01 196707725 tox21-ror-cho-viability-p1 set1 -2.4 54.4826732819 -25.813924588 -1 -26.813924588 3.5117481694 0.8900616222 0.0005184661 -0.33523229 1.00913936 -6.35500795 -0.17883622 -3.62687566 0.47308643 -3.63668394 0.18764681 0.24918345 -0.49409715 0.2895811 -1.00637211 0.62428783 -7.86026588 -23.17827049 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1478-61-1 73864 144213946 A A Bisphenol AF Oc1ccc(cc1)C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F Tox21_303641 -NCGC00256586-01 196707726 tox21-ror-cho-viability-p1 set1 4 1.35002968 0.7044869 -3.80838665 1.73510716 2.74816615 0.18537869 3.13740386 2.52746311 0.76178523 3.87254678 1.20397898 3.32151367 0.00100464 2.05695179 3.95368983 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 684-93-5 12699 144213167 F F N-Nitroso-N-methylurea NC(=O)N(C)N=O Tox21_302850 -NCGC00256593-01 196708152 tox21-ror-cho-viability-p1 set1 4 0.24987351 1.08740041 -2.30682261 1.20695929 0.78275571 0.02749387 2.9363373 8.60543175 0.26186104 1.93123182 -0.13798063 9.11637652 0 1.93085828 10.20915942 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-83-8 6501 144213277 I I Ethyl methylphenylglycidate CCOC(=O)C2OC2(C)c1ccccc1 Tox21_302960 -NCGC00259601-01 196708552 tox21-ror-cho-viability-p1 set2 4 -0.20438823 0.8663423 0.08089583 1.4941875 -0.34972677 1.47812031 3.5515938 0.03621962 2.88979168 1.21397468 0.65458002 1.46822152 0.18252299 4.30985577 -0.35030382 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 77-06-5 6466 144209250 A A Gibberellic acid O=C(O)[C@H]3[C@@H]5[C@]1(C)C(=O)O[C@]5(C=C[C@@H]1O)[C@@H]4CC[C@]2(O)C[C@]34CC2=C Tox21_202052 -NCGC00257871-01 196729538 tox21-ror-cho-viability-p1 set3 4 2.68748326 2.22974864 4.17659282 -0.29399357 -12.38246645 -16.26492756 -7.91200786 -3.5689704 0 -7.76741735 0 0 2.2200888 1.18379147 3.05521294 1.164E-9 2.603E-9 5.8199999999E-9 1.301E-8 2.91E-8 6.507E-8 1.4549999999E-7 3.254E-7 7.276E-7 0.0000016269999999 0.0000036379999999 0.000008134 0.00001819 0.00004067 0.00009094 4403-61-6 6028739 144207515 FNS 2-Methyl-2-butenenitrile C\C=C(\C)C#N Tox21_200317 -NCGC00257553-01 196729138 tox21-ror-cho-viability-p1 set3 4 6.8589621897 -12.774997364 1 -11.774997364 4.9549173134 0.3442650271 0.3406077873 -3.56720647 0.22276866 3.87237581 4.70426635 4.98282442 -5.77097866 -17.72916447 3.10812277 8.01972639 6.32312106 7.98553206 -10.70641962 -9.67546207 -11.99508513 -2.42520208 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 153-94-6 9060 144211617 Ac Ac d-Tryptophan O=C(O)[C@H](N)Cc2cnc1ccccc12 Tox21_301300 -NCGC00258442-01 196729954 tox21-ror-cho-viability-p1 set3 -2.4 49.8940461142 -23.6920740399 -1 -24.6920740399 3.5117481694 0.8455242702 0.0025876762 -3.99655262 -1.49535821 -0.8851102 0.48257992 -5.58035431 0.53055156 -3.06831515 -0.9736625 0.65692276 0.64325172 -1.33695447 -1.99288354 4.73120786 -9.89239259 -22.6600617 1.2069999999E-9 2.6979999999E-9 6.033E-9 1.349E-8 3.017E-8 6.745E-8 1.5079999999E-7 3.373E-7 7.541E-7 0.0000016859999999 0.0000037709999999 0.000008432 0.00001885 0.000042159999999 0.000094269999999 93-05-0 7120 144208086 C N,N-Diethylbenzene-1,4-diamine CCN(CC)c1ccc(N)cc1 Tox21_200888 -NCGC00255728-01 196729139 tox21-ror-cho-viability-p1 set3 4 0 -3.82212792 0.73152896 -1.79618637 0.84103149 4.33185982 -1.97293476 3.99040954 4.75534488 1.42986627 3.79862321 -5.66536534 0.91268997 -2.75108775 -0.90181952 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21799-87-1 23672329 144212413 A A Potassium 2,5-dihydroxybenzenesulfonate [K+].Oc1ccc(O)cc1S(=O)([O-])=O Tox21_302096 -NCGC00091586-02 196729542 tox21-ror-cho-viability-p1 set3 4 -3.75027711 -2.91738045 -4.85243726 -2.35400248 0.24063735 -3.93925796 -3.77616409 0.35612778 0.4252371 1.72593102 -4.02734545 0.08195999 -1.98560496 1.46760406 3.87475164 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00091351-03 196729957 tox21-ror-cho-viability-p1 set3 4 6.3688173907 12.2441759279 -5.7441759279 6.5 3.9899729863 0.7528927195 0.0186883248 -7.27727717 -6.874516 -7.79011425 -8.95347994 4.41167452 -7.78697704 -8.44259639 -5.77884565 -6.0185793 -5.02855199 -4.4582926 3.88679444 6.09199248 7.39085944 6.14265793 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00090773-04 196730372 tox21-ror-cho-viability-p1 set3 4 5.93915179 4.9249423 1.68520217 6.28553575 -3.19444527 -3.19915251 2.46000863 0.65769479 3.27119876 0.06956365 1.42897114 3.0400247 3.50820962 0.86126997 1.17296062 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00258686-01 196730374 tox21-ror-cho-viability-p1 set3 2.2 43.0131963229 54.5604453806 1.0216891424 55.582134523 2.3331733767 0.9739017029 2.197E-7 -2.87746694 4.06679428 1.1248223 0.02021495 3.08964081 3.64596652 1.56824983 0.37809033 3.36926569 -1.68404229 0.71595868 1.58606785 3.86431034 28.07917855 47.62954365 1.1739999999E-9 2.626E-9 5.8719999999E-9 1.3129999999E-8 2.936E-8 6.565E-8 1.468E-7 3.2829999999E-7 7.34E-7 0.000001641 0.0000036699999999 0.0000082059999999 0.00001835 0.00004103 0.00009175 135-23-9 8667 144208332 A A Methapyrilene hydrochloride Cl.CN(C)CCN(Cc1cccs1)c2ccccn2 Tox21_201134 -NCGC00257933-01 196730391 tox21-ror-cho-viability-p1 set3 4 1.1662547 2.86876975 0.03699746 2.6211569 5.51869243 0.86157927 0.49453718 1.62668024 5.6727945 1.41113634 3.15484843 1.5151074 4.59814093 -1.86931959 0.4495051 1.173E-9 2.624E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.000003667 0.0000081989999999 0.00001833 0.00004099 0.000091659999999 95-46-5 7236 144207577 AC A 2-Bromotoluene Cc1ccccc1Br Tox21_200379 -NCGC00254565-01 196714928 tox21-ror-cho-viability-p1 set2 -3 68.5198756601 -50.1811606191 -4.422594906 -54.6037555251 4.4494702849 0.9031128156 0.0002750702 -2.23244968 -12.63974813 -1.52342553 -4.93866082 -6.10944584 -6.71067958 -4.61563284 -6.96492217 -5.84279585 0.20795245 -0.48706535 -7.21233442 -1.15984964 -8.37473709 -44.01799661 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 115-29-7 3224 144210974 F Endosulfan ClC2=C(Cl)C3(Cl)C1COS(=O)OCC1C2(Cl)C3(Cl)Cl Tox21_300657 -NCGC00254684-01 196714929 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -41.81455947 0 -41.81455947 4.9549173134 0.8863921377 0.0006057585 -9.79315624 0 -0.17838744 -0.72851945 0.49729965 -0.80077591 0.36489651 -0.39319326 -0.59979086 2.86421648 0.2352237 2.274333 3.61016443 0.55171125 -34.3766345 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102121-60-8 2126 144211097 A A AM580 O=C(O)c1ccc(cc1)NC(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C Tox21_300780 -NCGC00091284-03 196714941 tox21-ror-cho-viability-p1 set2 4 0.48964413 -0.89688182 -1.31787998 0.90313777 0.4529 -2.08451865 -2.24009144 -1.55016605 -0.58149739 -2.35827972 0.44093933 -1.11698002 -1.10101796 -0.16273197 -3.4928651 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00258249-01 196715360 tox21-ror-cho-viability-p1 set2 4 -1.06057055 -0.79525172 -4.2467813 -2.56568856 -5.60465941 -0.61525735 -3.30122984 -0.96630158 -0.30651629 -10.59431852 -8.10982272 -2.53809244 -2.20598654 -9.96456854 -5.14562592 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.9479999999E-8 6.591E-8 1.474E-7 3.296E-7 7.369E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 244193-52-0 11460221 144207893 A A 1-Methyl-3-octylimidazolium tetrafluoroborate F[B-](F)(F)F.C[n+]1ccn(CCCCCCCC)c1 Tox21_200695 -NCGC00258544-01 196715758 tox21-ror-cho-viability-p1 set2 4 0.3495299 -0.81505974 -0.24378129 -1.6728957 -7.06853825 -1.03568698 -2.46663775 -0.9396919 -2.44080508 -4.95062394 0.70044398 -3.17125101 -1.97074182 1.45058467 -1.7578314 1.1509999999E-9 2.573E-9 5.753E-9 1.2859999999E-8 2.876E-8 6.432E-8 1.438E-7 3.2159999999E-7 7.1909999999E-7 0.000001608 0.000003596 0.00000804 0.00001798 0.0000402 0.00008989 1187-42-4 2723951 144208189 Diaminomaleonitrile N#CC(\N)=C(\N)C#N Tox21_200991 -NCGC00257730-01 196715759 tox21-ror-cho-viability-p1 set2 4 -0.12714918 3.52500111 1.64561967 0.9598681 1.38492768 3.87487095 4.1379051 2.5819848 1.65943951 -0.08344357 -0.12478941 2.84200883 2.00548513 4.48681213 -1.17659568 1.475E-9 3.299E-9 7.377E-9 1.649E-8 3.688E-8 8.247E-8 1.844E-7 4.1239999999E-7 9.221E-7 0.000002062 0.00000461 0.00001031 0.00002305 0.00005154 0.0001153 68609-96-1 99953 144207374 A F Alkyl (C8,C10) glycidyl ether CCCCCCCCCOCC1CO1 Tox21_200176 -NCGC00258358-01 196715771 tox21-ror-cho-viability-p1 set2 4 3.13914306 3.22325071 4.51079446 2.5118566 3.56934745 0.81547362 -0.6483595 3.87940111 3.32738844 -1.1261898 -0.60092582 5.18685405 4.17339667 0.98903132 4.58978175 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018399999999 0.00004115 0.000092019999999 532-28-5 10758 144208002 F alpha-Hydroxybenzeneacetonitrile OC(C#N)c1ccccc1 Tox21_200804 -NCGC00159417-06 196715777 tox21-ror-cho-viability-p1 set2 -2.1 49.6956931991 -87.5385788179 0.6474053179 -86.8911735 2.1210667061 0.9911860985 4E-10 2.0847353 -1.32673198 -0.44321525 1.81683167 -0.04024735 -0.46559298 -0.81297324 0.29505149 4.29020932 -1.86267261 2.3993866 -0.74178638 -12.15144497 -34.11794212 -69.2357375 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00256258-01 196710805 tox21-ror-cho-viability-p1 set2 4 -1.91237805 -3.06021519 -2.75441494 0.014423 -1.09778283 -0.24651492 -0.69384648 -1.6223306 -0.87532105 -0.30193382 0.80705557 1.38392963 -2.63817601 -1.69799827 -4.71340163 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2694-54-4 75903 144212105 A A Triallyl trimellitate O=C(OCC=C)c1cc(C(=O)OCC=C)c(cc1)C(=O)OCC=C Tox21_301788 -NCGC00255488-01 196710381 tox21-ror-cho-viability-p1 set2 -2.1 61.130564862 -79.3861819282 -4.667936429 -84.0541183572 3.9294729863 0.9418130056 0.0000191566 -6.77670516 -5.22776631 -3.53137795 -5.87748812 1.00143774 -0.74215715 -7.90492869 -8.61421179 -15.61265585 -2.31062229 1.18382008 -1.48667351 -3.63273692 -19.60192167 -70.49554421 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 497-39-2 10346 144211841 A A 4,6-Di-tert-butyl-m-cresol CC(C)(C)c1cc(c(C)cc1O)C(C)(C)C Tox21_301524 -NCGC00255472-01 196710791 tox21-ror-cho-viability-p1 set2 -3 67.2664740676 -40.3343013066 -4.55106668 -44.8853679866 4.9549173134 0.9005875702 0.0003133668 -9.08541576 -0.8758889 -3.95531242 -5.34878859 -6.6948148 -10.26552322 -1.06197166 -6.6067997 -1.73487116 -2.55169035 -1.55070887 -5.26675354 -5.675464 -7.45646371 -37.60743491 1.1609999999E-9 2.5959999999E-9 5.804E-9 1.298E-8 2.9019999999E-8 6.489E-8 1.451E-7 3.245E-7 7.255E-7 0.000001622 0.000003628 0.000008112 0.00001814 0.00004056 0.000090689999999 139-07-1 8753 144211686 A A Benzyldimethyldodecylammonium chloride [Cl-].C[N+](C)(Cc1ccccc1)CCCCCCCCCCCC Tox21_301369 -NCGC00255208-01 196710801 tox21-ror-cho-viability-p1 set2 4 -5.64648141 1.45831666 0 -1.02076829 0.04612887 0.47323129 -6.57178907 -5.42771787 0.93875637 -2.64053952 -0.07813544 0.14912628 1.49855421 2.63699318 2.17357895 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 928-97-2 5284503 144212289 A (E)-3-Hexen-1-ol CC\C=C\CCO Tox21_301972 -NCGC00167491-04 196713057 tox21-ror-cho-viability-p1 set2 4 1.8314845 -0.33210587 0.48834942 0.66742582 0.66611108 2.73146657 -0.51087997 -0.77481184 -0.28292527 0.11744917 0.61411524 0.26142155 -0.03992304 1.83600198 5.18263639 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 191732-72-6 216326 170465201 A Lenalidomide O=C1NC(=O)CCC1N3Cc2c(cccc2N)C3=O Tox21_112492_1 -NCGC00166256-02 196713071 tox21-ror-cho-viability-p1 set2 4 -0.84032313 0.83300405 -3.52224453 -4.26612642 -3.11458848 2.13063067 -0.18190028 -0.04948722 0.60972311 -0.12549491 0.2692783 1.7639746 -0.22184493 1.48245494 0.4601159 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25526-93-6 33039 170466324 A Alovudine CC1=CN(C(=O)NC1=O)[C@H]2C[C@H](F)[C@@H](CO)O2 Tox21_112376_1 -NCGC00017352-24 196712642 tox21-ror-cho-viability-p1 set2 4 -4.90728581 -4.77576403 -2.76699255 -3.70712767 -6.54127936 -2.20132029 -0.64455577 -5.37943419 -4.09390048 -0.40076669 0.20493915 -0.26425314 3.26004425 0.30059268 -0.85805295 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 501-36-0 445154 170466838 A Resveratrol Oc2cc(/C=C/c1ccc(O)cc1)cc(O)c2 Tox21_110257_1 -NCGC00182965-05 196712648 tox21-ror-cho-viability-p1 set2 4 -5.44241926 -4.84209813 -0.66761359 0.48197036 -0.15846399 1.0203062 -0.38377016 0.37580687 -0.20937174 0.18510652 0.62746118 2.48438308 1.23386414 0.33370748 0.99595684 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1235-82-1 92151 170465324 A Biperiden Cl.OC(CCN1CCCCC1)(c2ccccc2)C4CC3C=CC4C3 Tox21_112785_1 -NCGC00262953-01 196713466 tox21-ror-cho-viability-p1 set2 -2.2 11.8832183006 -44.5679584615 4.5 -40.0679584615 0.8999999999 0.8812311658 0.000750335 6.51964597 8.79101492 -1.10177742 1.4003954 7.81138926 1.4455909 9.70484862 0.39581046 6.69895426 0.41000184 -8.35692311 -7.4708361 -13.04436419 -17.25404301 -35.26365295 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 31431-43-3 35803 170466492 A A Cyclobendazole O=C(OC)Nc1nc2cc(ccc2n1)C(=O)C3CC3 Tox21_113945 -NCGC00263922-02 196713471 tox21-ror-cho-viability-p1 set2 4 0.33808714 -1.39637814 -1.19254899 -2.49374362 -2.12450733 -4.26330041 -2.96494766 -1.04854507 -0.22963846 0.12658723 0.473076 -2.08825222 -0.92635589 0.12811611 -0.00579778 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 133099-07-7 444030 170465079 Ac Darifenacin hydrobromide Br.NC(=O)C(c1ccccc1)(c2ccccc2)[C@@H]3CCN(C3)CCc4cc5CCOc5cc4 Tox21_112636_1 -NCGC00262967-01 196713475 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -25.3707253119 1.5 -23.8707253119 2.6384283767 0.8763893893 0.000919534 -1.56004866 2.18450481 3.92047109 3.16325611 -1.77438328 -0.70595394 0.46419941 1.71477055 4.24646345 1.52396556 2.55858283 1.19826094 0.3236624 -3.85712346 -16.55893776 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10539-19-2 70882 170466298 A A Moxaverine COc1cc3c(cc1OC)cc(CC)nc3Cc2ccccc2 Tox21_113958 -NCGC00016934-06 196713477 tox21-ror-cho-viability-p1 set2 4 16.7854920005 10.5358565799 -2.5358565799 8 0.4 0.5858996675 0.109657581 -2.31923682 -0.19631719 -1.91021231 -6.69654715 -1.77396345 -1.42870596 0.0159958 -2.3830312 -0.84208576 0.39826123 2.06304244 -0.4373068 3.20403141 0.48933141 5.62776462 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 76963-41-2 4513 170464780 I Nizatidine CN(C)Cc1nc(CSCCNC(=C[N+]([O-])=O)NC)cs1 Tox21_110691_1 -NCGC00161634-06 196713490 tox21-ror-cho-viability-p1 set2 4 7.04075142 5.07819724 -0.935734 1.79133141 7.32609581 6.02811887 5.59700477 0.53645931 1.49535205 0.08055286 -0.84371846 1.22624452 6.08237393 13.12439003 9.67789739 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63968-64-9 5458876 170466204 A Artemisinin O=C4O[C@@H]3O[C@@]1(C)CC[C@H]2[C@H](C)CC[C@H](C23OO1)[C@H]4C Tox21_111750_1 -NCGC00255094-01 196713901 tox21-ror-cho-viability-p1 set2 4 -1.47793566 -1.09667084 -1.86118165 -1.87639805 -3.54572914 -0.1244063 0.71022956 -0.25621742 -2.43377767 1.22573454 0.02642704 4.85758119 6.31961566 0.65242194 4.31986099 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18699-02-0 2018 144211514 A A 4-Acetylaminophenylacetic acid O=C(C)Nc1ccc(cc1)CC(=O)O Tox21_301197 -NCGC00253969-01 196714303 tox21-ror-cho-viability-p1 set2 4 -4.35737269 -1.37803231 0.40248271 -3.0570543 -5.86155545 -4.51254497 -4.47498361 -11.30266715 -2.81207424 -5.42889581 -3.16083296 -2.64324976 -8.71811567 -3.59022517 -1.71727875 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 220860-50-4 9831581 144210528 A A CP-457920 CCOc1ccc2NC=C(C(=O)c2n1)C(=O)NCc3ccccc3 Tox21_300208 -NCGC00255048-01 196714306 tox21-ror-cho-viability-p1 set2 -3 68.1713220381 -41.4678548199 1.5 -39.9678548199 4.9549173134 0.9710362913 3.991E-7 2.05754587 0.7205841 0.6627072 1.46332624 2.47168072 2.11522549 -0.52953901 -0.18811414 2.77503172 2.05548186 -0.73677246 4.66144913 -0.56917892 -0.78324518 -32.47321235 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 97886-45-8 91757 144211467 A A Dithiopyr FC(F)(F)c1nc(c(c(CC(C)C)c1C(=O)SC)C(=O)SC)C(F)F Tox21_301150 -NCGC00259735-01 196709352 tox21-ror-cho-viability-p1 set2 4 0.00007307 -11.1040959 -5.21021481 -21.38559011 -0.05181243 -2.55725668 -1.70633448 -1.7764492 -2.36968193 0.12535189 -2.46089375 0.56955065 -3.05992426 -8.24649049 -6.57433264 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.305E-7 7.3889999999E-7 0.0000016519999999 0.0000036949999999 0.000008262 0.000018469999999 0.00004131 0.00009237 112-30-1 8174 144209384 A A 1-Decanol CCCCCCCCCCO Tox21_202186 -NCGC00258731-01 196730146 tox21-ror-cho-viability-p1 set3 4 4.93055739 -2.44652515 -1.97988673 2.19092001 -0.84229123 3.03953013 1.27091669 2.32445969 2.05237897 -0.86129144 3.06639365 0.30388226 -1.69050281 0.63225756 0.91252501 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.629E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008287 0.00001853 0.000041429999999 0.00009265 108-30-5 7922 144208377 A B Succinic anhydride O=C1CCC(=O)O1 Tox21_201179 -NCGC00094521-05 196730148 tox21-ror-cho-viability-p1 set3 -2.2 48.5577336745 -39.98080434 1 -38.98080434 2.4729283767 0.9802247451 4.46E-8 0.33721691 1.80770256 2.73135646 -1.55012945 -0.7575985 3.11948403 2.32444865 -0.00314341 0.58072207 0.32444011 1.81219627 1.74543665 -2.28006004 -15.1659659 -32.06733695 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1861-32-1 2943 144214032 A A Chlorthal-dimethyl Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl Tox21_400071 -NCGC00257646-01 196730136 tox21-ror-cho-viability-p1 set3 4 4.85751522 3.61499826 3.7438107 1.42586321 3.91621703 4.09036396 0.92596016 6.67618492 8.86967467 0.3754361 5.60968086 5.69217469 4.18606652 2.29040241 3.73537786 1.235E-9 2.762E-9 6.176E-9 1.381E-8 3.088E-8 6.905E-8 1.544E-7 3.453E-7 7.721E-7 0.0000017259999999 0.0000038599999999 0.000008632 0.000019299999999 0.000043159999999 0.00009651 961-11-5 13745 144207290 A A Tetrachlorovinphos Clc1cc(C(=CCl)OP(=O)(OC)OC)c(Cl)cc1Cl Tox21_200092 -NCGC00258050-01 196730142 tox21-ror-cho-viability-p1 set3 4 0.6523609 1.78438372 0.13199009 1.18215464 0.66066374 1.72526438 1.77644645 0.79764035 0.57776167 -0.01438806 1.1143793 -0.71906928 -1.28109476 0.95303163 0.6735843 1.183E-9 2.645E-9 5.913E-9 1.322E-8 2.9569999999E-8 6.611E-8 1.4779999999E-7 3.306E-7 7.392E-7 0.0000016529999999 0.000003696 0.0000082639999999 0.00001848 0.00004132 0.0000924 695-53-4 3081 144207694 A A Dimethadione O=C1NC(=O)C(C)(C)O1 Tox21_200496 -NCGC00091499-05 196730153 tox21-ror-cho-viability-p1 set3 4 0.22819482 0.49116388 1.42260952 0.79621593 4.31683217 5.10718601 0.80082631 1.1418736 4.90289959 4.18805816 7.0318913 0.53673017 3.34596321 0.85039743 0.91301331 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00258270-01 196730554 tox21-ror-cho-viability-p1 set3 4 0.10981337 3.41091362 -0.08267053 0.64063956 4.19780687 0.00127144 -0.72916617 3.70867986 2.59330047 -0.99452848 4.52692508 3.94516742 4.05177284 2.30182425 1.39852147 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.302E-7 7.3839999999E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.0000923 785-30-8 69917 144207914 A A 4,4'-Diaminobenzanilide O=C(Nc1ccc(N)cc1)c2ccc(N)cc2 Tox21_200716 -NCGC00258432-01 196730552 tox21-ror-cho-viability-p1 set3 4 0.2228685175 -5.80478402 5 -0.80478402 2.4063783767 0.6013130509 0.0970283999 7.82206613 1.94530724 2.17158092 4.07843858 11.43454727 3.11527595 2.86619833 1.62424423 -1.79785869 -1.92065335 -1.75841883 -1.07271349 -0.92751891 0.70333834 0.10073306 1.2069999999E-9 2.699E-9 6.035E-9 1.3499999999E-8 3.0179999999E-8 6.7479999999E-8 1.509E-7 3.3739999999E-7 7.5439999999E-7 0.000001687 0.0000037719999999 0.000008434 0.00001886 0.00004217 0.000094299999999 613-94-5 11955 144208076 A A Benzoyl hydrazine O=C(NN)c1ccccc1 Tox21_200878 -NCGC00091830-04 196730561 tox21-ror-cho-viability-p1 set3 4 1.47832986 -0.79354658 2.22380672 1.034674 1.67937483 0.13141988 4.6607812 2.43316397 2.812152 3.61305383 1.08122829 1.12834794 0.32191754 1.65991319 -0.54961246 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00258171-01 196730564 tox21-ror-cho-viability-p1 set3 4 24.4107820745 17.883195108 -6.383195108 11.5 2.6384283767 0.8191287583 0.0052063549 -8.52283336 -5.85564378 0.3867419 -4.66511735 -6.00941821 -7.78036724 -7.36023847 -6.5526813 -5.54622812 -9.90266259 -9.04967325 -8.07173461 1.88864663 5.28419838 12.54943316 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004133 0.000092409999999 100-22-1 7490 144207815 A D N,N,N',N'-Tetramethyl-p-phenylenediamine CN(C)c1ccc(cc1)N(C)C Tox21_200617 -NCGC00257802-01 196730570 tox21-ror-cho-viability-p1 set3 4 -0.57721514 0.33806858 1.98155734 1.6405581 7.07265142 -1.23545329 -3.62780807 0.34698919 -0.28230121 -1.27954065 -4.00373202 -0.170756 1.56597848 4.98438866 4.94813118 1.164E-9 2.603E-9 5.821E-9 1.302E-8 2.911E-8 6.508E-8 1.4549999999E-7 3.254E-7 7.276E-7 0.0000016269999999 0.0000036379999999 0.000008135 0.00001819 0.00004068 0.00009095 109-66-0 8003 144207446 FC Pentane CCCCC Tox21_200248 -NCGC00258652-01 196730574 tox21-ror-cho-viability-p1 set3 4 1.37631584 3.38666396 0.57001151 -1.91493143 -4.25901718 -1.16671138 -0.19909234 -2.61995572 -2.31304715 -1.21904352 0.01696629 -2.75407591 -1.53175134 1.04596098 5.31811701 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 654058-04-5 16069365 144208298 A A 1,3-Dimethylimidazolium dimethyl phosphate C[n+]1ccn(C)c1.[O-]P(=O)(OC)OC Tox21_201100 -NCGC00255073-01 196720807 tox21-ror-cho-viability-p1 set3 4 0.3857077887 6.854234636 -0.854234636 6 4.9549173134 0.3970195147 0.2918944392 -1.19984867 6.69409458 5.86767689 -3.92168218 -5.29519553 -4.86033269 -2.83766223 0.8891973 7.15573895 3.91658205 10.16809441 9.34678746 2.44396169 1.86269624 -1.80022771 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2579-20-6 17406 144211492 A F 1,3-Cyclohexanedimethanamine NCC1CCCC(CN)C1 Tox21_301175 -NCGC00254630-01 196720813 tox21-ror-cho-viability-p1 set3 2.4 0.1714136647 27.570672308 -21.570672308 6 0.2 0.7548948598 0.0181570798 -13.42481178 -16.30889359 -11.06630153 -10.07219759 -9.22777043 -10.24121738 -8.65942279 -5.55852898 -5.71351092 -1.74035172 -1.34326576 -5.64965349 -7.87973543 -1.38798552 4.4007914 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.938E-8 6.568E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.000041049999999 0.0000918 105512-06-9 92431 144211041 A A Clodinafop-propargyl O=C(OCC#C)[C@@H](C)Oc1ccc(cc1)Oc2ncc(Cl)cc2F Tox21_300724 -NCGC00254418-01 196720800 tox21-ror-cho-viability-p1 set3 -1.2 27.3060203028 -47.3265152904 5.5 -41.8265152904 4.5044702849 0.8825668549 0.0007096187 12.37740947 -2.43247321 11.53998848 8.36989648 10.34315582 -4.99357611 2.46791336 6.52350764 -3.43860334 5.03459124 11.34388042 11.03743396 -1.12226346 -35.25465902 -41.60297782 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79902-63-9 54454 144210718 B C Simvastatin CC(C)(CC)C(=O)O[C@H]2C[C@@H](C)C=C3C=C[C@H](C)[C@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@@H]23 Tox21_300400 -NCGC00254615-01 196720801 tox21-ror-cho-viability-p1 set3 4 -1.51746322 -5.87810908 -0.75419388 -7.65161306 -0.00853291 1.49659472 3.47680224 -6.44173781 -6.48787454 -3.80156851 -3.2579984 -5.39290607 -7.86761526 3.44007066 -2.76168909 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-10-7 7479 144211024 A A 4-Dimethylaminobenzaldehyde CN(C)c1ccc(C=O)cc1 Tox21_300707 -NCGC00091146-04 196720816 tox21-ror-cho-viability-p1 set3 4 -1.46548124 -7.18568366 2.31609811 4.56299663 0.99408404 -10.00290569 -6.72158818 -7.5351699 -6.37178775 4.38558017 -8.73776827 -3.11881624 4.32740092 -5.32738087 -6.26493281 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00091088-05 196721210 tox21-ror-cho-viability-p1 set3 4 61.130564862 10.516646588 -4.516646588 6 2.9522712143 0.3467303193 0.3254720994 -6.23513128 -8.05649663 -1.27197204 -1.30972189 -2.14973424 -9.59720549 -1.47420489 -7.83603345 -7.58825458 -0.51768236 -5.48888855 -2.85986252 -3.23417892 -2.02742304 3.4583072 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00090780-04 196721214 tox21-ror-cho-viability-p1 set3 4 -6.15457448 -5.09906483 -4.44458682 -2.02243475 -3.97596403 -5.81929676 -4.34405233 -4.78722234 -4.70116898 -3.97470954 -4.97595615 -6.37534485 -4.5323971 -5.74020745 -5.2020617 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00259297-01 196721603 tox21-ror-cho-viability-p1 set3 4 44.6450148544 11.634777648 -4.134777648 7.5 3.1319983358 0.496525525 0.1826717203 -7.19564804 -1.00724903 -2.81789477 4.65949096 -5.03376406 -6.8780126 -7.01319187 -5.2479687 -4.70853818 -2.43024212 -5.76228356 -3.4610222 -4.25653362 1.58187775 6.47462971 1.211E-9 2.707E-9 6.054E-9 1.3539999999E-8 3.027E-8 6.768E-8 1.5129999999E-7 3.3839999999E-7 7.567E-7 0.0000016919999999 0.0000037839999999 0.00000846 0.00001892 0.0000423 0.00009459 108-22-5 7916 144208946 FC Isopropenyl acetate C=C(C)OC(C)=O Tox21_201748 -NCGC00258975-01 196721607 tox21-ror-cho-viability-p1 set3 -2.1 60.8819825247 -100.110219261 -1.902091629 -102.01231089 3.5722481694 0.9749262063 1.745E-7 -4.08484028 1.87604759 1.70664353 5.67752504 -3.72499574 -3.2475098 -3.88890883 -4.69075024 -6.30611618 3.48990346 -3.52872029 -3.2061596 -5.31148326 -21.7420799 -83.34339125 1.1759999999E-9 2.63E-9 5.8799999999E-9 1.315E-8 2.94E-8 6.574E-8 1.4699999999E-7 3.2869999999E-7 7.35E-7 0.000001643 0.0000036749999999 0.000008217 0.00001837 0.00004109 0.00009187 101-72-4 7573 144208622 A B N-Isopropyl-N'-phenyl-p-phenylenediamine CC(C)Nc1ccc(cc1)Nc2ccccc2 Tox21_201424 -NCGC00015060-14 196721617 tox21-ror-cho-viability-p1 set3 4 27.1394921295 13.418095364 -10.418095364 3 4.9549173134 0.4718980136 0.2040038398 -12.87043768 -5.05308711 -2.81713874 -5.13708264 -7.03977015 -18.26507947 -11.6338297 -10.52785629 -18.18150558 -9.88204572 -9.01673203 -13.44651794 -13.01280545 5.04002362 -0.04245598 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00091775-03 196721619 tox21-ror-cho-viability-p1 set3 4 121.9715123619 -22.886674968 -2 -24.886674968 0.4 0.3912639702 0.2811508956 -6.6196737 -5.96100579 -0.97206992 0.66678068 -2.80562203 -5.74762644 -6.39407403 -5.89399828 -5.46485053 -2.10523423 -5.3910353 -12.7067087 -5.12991484 -5.2965522 -19.07222914 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00043225-04 196704854 tox21-ror-cho-viability-p1 set1 4 0.30365176 0.47933581 0.12795499 0.24226174 -3.10835431 0.45078247 -0.16209276 4.01909924 2.78835251 0.10015014 3.02001109 1.76358772 0.39406722 0.84127793 0.8073525 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 676-46-0 8736 170465632 Z Disodium 2-hydroxybutanedioate [Na+].[Na+].[O-]C(=O)C(O)CC([O-])=O Tox21_112699_1 -NCGC00181294-01 196704435 tox21-ror-cho-viability-p1 set1 4 -0.11365331 3.85223855 1.89177893 4.3120939 1.11294072 4.29972653 3.28870228 4.65977304 3.48505449 0.2801943 7.83943404 8.94041637 2.23632186 4.58167698 2.74191292 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67-16-3 5432 144206326 I F Thiamine disulfide Nc2nc(C)ncc2CN(C=O)C(C)=C(CCO)SSC(CCO)=C(C)N(C=O)Cc1cnc(C)nc1N Tox21_112773 -NCGC00164605-02 196704439 tox21-ror-cho-viability-p1 set1 4 -0.14293941 1.72992095 1.69971898 2.5611197 -0.40850432 1.61503901 -1.08937671 0.06058821 0.44833034 -0.28646528 1.06856305 -0.51607011 0.98401415 1.37120489 2.47207722 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 99464-64-9 2176 170466020 C Ampiroxicam O=C(OCC)OC(C)OC=2c1ccccc1S(=O)(=O)N(C)C=2C(=O)Nc3ccccn3 Tox21_112227_1 -NCGC00253642-01 196704834 tox21-ror-cho-viability-p1 set1 4 1.86077856 3.5847194 -0.86883202 1.53520727 -0.91871451 4.14478072 -1.39165643 1.0508936 0.11183921 1.59951936 0.46153159 0.88597516 1.33569943 4.5152259 -0.36952741 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112984-60-8 124225 170466146 A C Ulifloxacin O=C(O)C=3C(=O)c1cc(F)c(cc1N2C=3SC2C)N4CCNCC4 Tox21_113769 -NCGC00160656-02 196704855 tox21-ror-cho-viability-p1 set1 4 0.04929921 -2.88177848 -10.28586636 -1.71940694 0.79843313 0 -0.00737311 -5.7011847 -1.11911435 -0.36559303 -4.00405852 -9.17903786 0.2766151 0.10582614 0.41944509 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 93-47-0 9574235 170466224 A Verazide O=C(N/N=C/c1ccc(OC)c(OC)c1)c2ccncc2 Tox21_111963_1 -NCGC00168776-03 196705250 tox21-ror-cho-viability-p1 set1 4 0.0009439176 12.1275577439 -11.6275577439 0.5 4.0449729863 0.8522204565 0.0021777641 -10.10629812 -2.07728154 1.4795635 0.53357015 -0.34081958 0.6607659 -1.32841415 -0.46504881 0.88283542 -1.74251241 -0.92930804 0.42332737 1.33924854 1.78834851 1.99471454 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 136817-59-9 5625 170464664 A Delavirdine O=C(c1cc2cc(NS(C)(=O)=O)ccc2n1)N3CCN(CC3)c4ncccc4NC(C)C Tox21_112637_1 -NCGC00247730-01 196705251 tox21-ror-cho-viability-p1 set1 4 -2.6269432 0.78081301 -4.00975882 1.28367672 -1.9142914 -3.05791628 -1.80922006 0.911446 1.29844976 0.67602663 -0.61228443 -1.10612563 -7.4213182 -0.30505461 -3.42539804 1.167E-9 2.61E-9 5.837E-9 1.305E-8 2.918E-8 6.5259999999E-8 1.459E-7 3.2629999999E-7 7.296E-7 0.000001631 0.000003648 0.000008157 0.000018239999999 0.000040789999999 0.0000912 1892-80-4 102710 144206449 A A Fenethylline hydrochloride Cl.CC(Cc1ccccc1)NCCn3cnc2c3C(=O)N(C)C(=O)N2C Tox21_112896 -NCGC00253709-01 196705253 tox21-ror-cho-viability-p1 set1 4 0.9439175816 -4.862614612 1 -3.862614612 4.9549173134 0.4564791751 0.2382757541 1.35661083 0.2258674 -0.25984721 1.13282855 1.98115851 0.55391841 0.98187598 2.68897435 -0.07049069 -0.39300225 -5.13258777 -9.46884551 -0.68027615 0.59557973 -0.83930619 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 39512-49-7 38282 170466687 A A 4-(4-Chlorophenyl)-4-piperidinol OC1(CCNCC1)c2ccc(Cl)cc2 Tox21_113829 -NCGC00261978-01 196705263 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -11.6973713879 2 -9.6973713879 4.0949729863 0.4759233687 0.2023229875 8.03554057 0.93975988 0.22607657 0.22859327 -0.38533664 1.96413868 -0.18476021 6.8148144 4.22736211 2.09624461 0.16842409 0.39016494 1.21468971 0.51262778 -7.24780949 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 519-88-0 10616 170466444 A A Ambucetamide COc1ccc(cc1)C(C(N)=O)N(CCCC)CCCC Tox21_113898 -NCGC00259143-01 196705664 tox21-ror-cho-viability-p1 set1 4 -6.0698162 -5.03336197 -4.53131528 -8.92914173 -2.58410898 -3.53966791 -2.39392618 -4.72894251 0.78428168 -13.86617708 -8.96532476 -2.74765614 -1.08097006 -5.55650227 -0.6123947 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 0.000091709999999 70-55-3 6269 144208792 A A 4-Toluenesulfonamide Cc1ccc(cc1)S(=O)(N)=O Tox21_201594 -NCGC00259326-01 196705679 tox21-ror-cho-viability-p1 set1 4 49.5470150129 -25.3560422399 2 -23.3560422399 3.1319983358 0.8218604144 0.0048696537 2.99893861 1.20881252 1.00135983 -1.4967919 1.55904261 2.39718935 0.96206487 0.8085325 3.27568976 9.2901346 0.66618485 -1.66962855 5.62045218 -8.55071566 -19.8800352 1.1999999999E-9 2.6819999999E-9 5.9979999999E-9 1.3409999999E-8 2.999E-8 6.7059999999E-8 1.4989999999E-7 3.353E-7 7.497E-7 0.000001676 0.000003749 0.0000083819999999 0.000018739999999 0.00004191 0.00009371 608-73-1 727 144208975 D 1,2,3,4,5,6-Hexachlorocyclohexane ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl Tox21_201777 -NCGC00260434-01 196703212 tox21-ror-cho-viability-p1 set1 4 55.2592762104 -14.396900944 1 -13.396900944 3.1924983358 0.5322191555 0.1512228758 -4.85273701 5.31757104 1.33048837 -0.0657042 -5.82455644 4.39792132 0.05740287 3.36721744 2.98460451 1.0569048 0.02619684 1.38616991 0.57095016 -3.15666914 -11.16408412 1.194E-9 2.6689999999E-9 5.969E-9 1.335E-8 2.985E-8 6.6739999999E-8 1.4919999999E-7 3.337E-7 7.4609999999E-7 0.000001668 0.0000037309999999 0.000008342 0.00001865 0.00004171 0.000093269999999 26444-49-5 6528 144210086 C C Cresyl diphenyl phosphate O=P(Oc1ccccc1)(Oc2ccc(C)cc2)Oc3ccccc3 Tox21_202888 -NCGC00254428-01 196715138 tox21-ror-cho-viability-p1 set2 4 -2.04598982 -2.1053003 -4.29435613 1.13591135 1.55559153 -2.02628227 -0.06662947 1.61062482 -1.20567996 0.28192826 1.51990903 -0.17454374 4.6529188 3.73630671 5.41309311 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25265-71-8 6537503 144210882 D Dipropylene glycol CCC(O)OC(O)CC Tox21_300565 -NCGC00090965-04 196714734 tox21-ror-cho-viability-p1 set2 4 0.1535530364 -6.109672564 -0.5 -6.609672564 4.9549173134 0.6124895857 0.0891010618 -0.27264015 0.48019547 -2.87170407 -1.38517875 0.09282339 0.16879998 -3.44183357 -9.61223079 -2.99102903 -8.83937213 -3.50887064 -2.77291081 -10.50806047 -7.98449603 -6.66603158 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00253973-01 196715140 tox21-ror-cho-viability-p1 set2 4 -0.22863416 -11.05748279 -2.02680109 -1.3420361 -3.30752603 -6.3685202 -2.62585738 -0.47582592 -3.24537006 1.24337043 0.67587621 -0.56060963 -4.41847423 -4.8103724 -5.90338782 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 115-28-6 8266 144210510 A A Chlorendic acid ClC2(Cl)C1(Cl)C(Cl)=C(Cl)C2(Cl)C(C1C(=O)O)C(=O)O Tox21_300190 -NCGC00254329-01 196715141 tox21-ror-cho-viability-p1 set2 4 -2.50893691 -2.85683518 -2.13663645 -0.37898014 1.57878419 -2.35788709 -1.88342886 -3.00342102 -5.2964134 -0.61566268 -3.08597945 2.2405671 -0.92714754 -8.88350439 -0.47517806 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7378-99-6 16224 144210667 FNS N,N-Dimethyloctylamine CN(C)CCCCCCCC Tox21_300349 -NCGC00254582-01 196715142 tox21-ror-cho-viability-p1 set2 4 0.086349218 -5.23584132 -1.5986368999 -6.8344782199 2.4063783767 0.3951860785 0.2780346661 -1.57275464 -0.91553075 -1.05486084 -1.26228474 -4.1895584 -1.28931409 -6.08720419 -11.89003673 -14.02873185 -3.44161148 -7.12146251 -3.91847477 -6.83573953 -1.34689414 -7.13691161 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-43-7 7017 144210991 A A 2-Phenylphenol Oc2ccccc2c1ccccc1 Tox21_300674 -NCGC00257529-01 196715143 tox21-ror-cho-viability-p1 set2 -2.2 61.130564862 -50.3492813304 -0.1748900719 -50.5241714023 3.2474983358 0.9901106209 8E-10 0.33555963 1.54663093 -0.02387954 -0.32609027 0.81248271 -1.38358644 1.5790739 0.82229839 0.61833884 -1.54126806 -1.20783336 -1.50781605 -0.74627221 -10.55014345 -40.16982682 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-77-3 8010 144211513 A Ac Propanedinitrile N#CCC#N Tox21_301196 -NCGC00254102-01 196715146 tox21-ror-cho-viability-p1 set2 4 1.06754724 4.35768392 0.77515272 1.24780209 4.532487 1.50360577 -0.5873408 5.10895619 -0.16107864 4.95056486 -1.78155623 -0.07293369 -0.99754984 4.75940297 5.01803485 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59756-60-4 43079 144210520 A A Fluridone CN1C=C(C(=O)C(=C1)c2cc(ccc2)C(F)(F)F)c3ccccc3 Tox21_300200 -NCGC00258284-01 196715546 tox21-ror-cho-viability-p1 set2 4 1.03721718 0.61792224 0.180657 -1.06126237 1.43380075 -0.05471931 -0.96910617 -4.96919393 -5.96846286 -1.01939393 -7.80896063 0.4961755 -5.07888546 0.33524461 1.66458507 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.6509999999E-8 1.487E-7 3.325E-7 7.436E-7 0.000001663 0.000003718 0.000008313 0.00001859 0.00004157 0.000092939999999 554-12-1 11124 144207928 FNS Methyl propanoate CCC(=O)OC Tox21_200730 -NCGC00257664-01 196715552 tox21-ror-cho-viability-p1 set2 4 1.26807669 2.03250051 0.01079691 2.42659676 -9.93374497 0.27016705 -1.07402752 -1.44810158 0.14738156 -7.91857129 1.79324147 -0.47670436 0.10960006 1.40529697 2.45525402 1.1759999999E-9 2.63E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.576E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.00000822 0.000018379999999 0.0000411 0.0000919 302-17-0 2707 144207308 A Chloral hydrate ClC(Cl)(Cl)C(O)O Tox21_200110 -NCGC00090721-03 196711840 tox21-ror-cho-viability-p1 set2 4 3.53433002 2.49333038 0.82049922 1.86814185 1.83880076 4.40372975 4.57444597 7.96702462 8.02181134 3.81421629 3.57758972 4.38881255 3.24463628 9.68808462 0.70887535 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00260244-01 196711422 tox21-ror-cho-viability-p1 set2 4 2.70087486 0.74352327 2.03785156 0.80324339 2.68633944 0.92526504 7.68661943 8.11085068 4.47578437 5.27433282 5.46195324 6.2430258 5.75452896 10.65383488 10.73482174 1.172E-9 2.6199999999E-9 5.859E-9 1.31E-8 2.929E-8 6.55E-8 1.465E-7 3.275E-7 7.324E-7 0.0000016379999999 0.000003662 0.000008188 0.00001831 0.00004094 0.00009154 3878-80-6 13638937 144209894 FNS 1-Ethylpyridinium trifluoromethanesulfonate CC[n+]1ccccc1.FC(F)(F)S([O-])(=O)=O Tox21_202696 -NCGC00091663-03 196711425 tox21-ror-cho-viability-p1 set2 4 -0.52243576 -6.85915038 -4.45062888 -6.65274029 -2.92711562 -8.66954854 -14.47179322 -8.52684398 -16.58379852 -6.64000735 0 0 0 -7.6624186 0.30810046 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00090750-04 196711433 tox21-ror-cho-viability-p1 set2 -3 9.8068945723 -33.7723507639 -1.5 -35.2723507639 1.9673362061 0.8395809138 0.0069587175 1.73191805 -0.79250647 0.38321922 -1.59470546 0.77691609 -1.74556371 -1.68670142 -6.63810689 -0.51835885 -0.48501402 -13.11262457 -9.24204661 -32.72695897 -25.23944659 -25.94754749 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00258899-01 196721240 tox21-ror-cho-viability-p1 set3 4 -1.46305904 0.76309966 -3.25987867 1.55307595 -0.05189273 -0.628554 -1.66526955 -1.9601834 -1.85434133 0.64120239 2.323524 0.36726394 1.99186429 -3.20504404 -1.38543249 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004124 0.00009223 80-08-0 2955 144208545 A A Dapsone Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2 Tox21_201347 -NCGC00259021-01 196721243 tox21-ror-cho-viability-p1 set3 4 33.8525283528 8.672972132 -2.672972132 6 2.7202212143 0.406203145 0.2676095067 -4.8682129 -6.06902713 -0.00777255 3.4642972 -2.56549272 -4.90320587 -3.7340349 -4.38390246 -8.06081011 2.49768823 -3.62964398 -1.1100192 -1.81359175 2.63748672 5.68471765 1.165E-9 2.606E-9 5.827E-9 1.303E-8 2.9139999999E-8 6.515E-8 1.457E-7 3.2579999999E-7 7.284E-7 0.000001629 0.0000036419999999 0.000008144 0.00001821 0.000040719999999 0.000091049999999 111-11-5 8091 144208668 AC Ac Methyl octanoate O=C(CCCCCCC)OC Tox21_201470 -NCGC00254252-01 196720841 tox21-ror-cho-viability-p1 set3 1.4 0.002730602 26.4786235319 -25.9786235319 0.5 0.4 0.7945297202 0.0089517155 -13.58450908 -18.31551961 -7.80306325 -3.59405558 -8.49149126 -8.15561394 -2.93782434 -3.10908195 -2.30738712 -1.88684567 1.52483924 -1.38676935 -1.06087546 1.69660602 -1.00055394 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-35-3 31253 144210669 FNS Myrcene C/C(C)=C\CCC(=C)C=C Tox21_300351 -NCGC00259385-01 196721228 tox21-ror-cho-viability-p1 set3 1.4 27.0562917993 26.502325688 -1.502325688 25 4.9549173134 0.8486918914 0.0023447578 -5.41860474 -5.37235375 -0.65470697 0.87685599 2.49598526 5.28290653 -3.08133058 -1.71169139 -3.64182631 4.71888588 -4.16339354 -4.32996277 -2.51631894 24.69990738 22.89786978 1.171E-9 2.618E-9 5.8529999999E-9 1.3089999999E-8 2.927E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.316E-7 0.0000016359999999 0.000003658 0.00000818 0.00001829 0.0000409 0.00009146 63-25-2 6129 144209034 A D Carbaryl CNC(=O)Oc2cccc1ccccc12 Tox21_201836 -NCGC00258838-01 196721248 tox21-ror-cho-viability-p1 set3 4 29.7985525398 10.2694893759 -7.2694893759 3 4.9549173134 0.3746331276 0.2967828775 -12.96097222 -9.37294737 -1.3644114 -0.64252643 -7.89773122 -11.46112928 -5.17906417 -8.33672097 -8.26245 -3.74523448 -2.24626675 -15.22457448 -8.16197872 1.43524102 2.42678095 1.1529999999E-9 2.5769999999E-9 5.7629999999E-9 1.289E-8 2.8819999999E-8 6.444E-8 1.441E-7 3.2219999999E-7 7.204E-7 0.000001611 0.0000036019999999 0.000008054 0.00001801 0.00004027 0.00009005 6728-26-3 5281168 144208484 AC Fc (2E)-2-Hexenal CCC\C=C\C=O Tox21_201286 -NCGC00259759-01 196721629 tox21-ror-cho-viability-p1 set3 4 24.4107820745 10.553184316 -9.053184316 1.5 4.9549173134 0.6321210104 0.0756482172 -10.33063911 -9.39346271 -9.34646587 -11.63376917 -4.17140405 -6.69530361 -10.26096518 -7.02443171 -15.46098693 -5.78620797 -8.22433475 -10.38665498 -7.17815329 1.61916066 0.29721591 1.183E-9 2.6459999999E-9 5.916E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.395E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 85-43-8 6810 144209408 A A Tetrahydrophthalic anhydride O=C1OC(=O)C2CC=CCC12 Tox21_202210 -NCGC00259264-01 196722028 tox21-ror-cho-viability-p1 set3 4 28.1970155484 12.2134326039 -4.2134326039 8 4.9549173134 0.8622522195 0.0015419483 -3.51535656 -1.67473261 -1.10710423 -4.0871342 -4.68347162 -5.83000562 -6.84452717 -4.3623882 -6.66239603 -3.01025612 -4.04122041 -2.81594798 -2.55145624 6.9357219 7.81091839 1.212E-9 2.71E-9 6.059E-9 1.3549999999E-8 3.029E-8 6.774E-8 1.515E-7 3.387E-7 7.5729999999E-7 0.000001693 0.000003787 0.000008467 0.00001893 0.00004234 0.00009467 111-85-3 8142 144208913 FC 1-Chlorooctane CCCCCCCCCl Tox21_201715 -NCGC00258905-01 196722040 tox21-ror-cho-viability-p1 set3 -2.2 27.0285678219 -47.43034928 -1.87090384 -49.30125312 1.24751 0.8789347187 0.0008226215 -2.53879478 -6.43334267 0.78953488 -8.97320477 -2.00450424 -0.5871351 -0.45054197 1.43197436 -1.42871335 2.6246608 -2.37285116 -20.08735842 -12.06854856 -33.70712264 -41.0843776 1.1699999999E-9 2.617E-9 5.852E-9 1.3089999999E-8 2.926E-8 6.543E-8 1.463E-7 3.2719999999E-7 7.315E-7 0.0000016359999999 0.000003658 0.0000081789999999 0.00001829 0.000040889999999 0.000091439999999 83-26-1 6732 144208551 A C Pindone CC(C)(C)C(=O)C2C(=O)c1ccccc1C2=O Tox21_201353 -NCGC00259857-01 196722042 tox21-ror-cho-viability-p1 set3 2.2 43.6294490523 44.8028486529 -5.6896911789 39.113157474 2.0478617061 0.905422358 0.0002435427 -3.68917962 -0.47364487 -10.13664808 -13.21399696 -7.98458493 -6.70087699 -4.70528897 -3.42810176 -6.1084611 0.32554085 -3.07706337 -3.77853259 0.01079575 16.24989533 31.23337086 1.188E-9 2.657E-9 5.941E-9 1.3279999999E-8 2.971E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016609999999 0.000003713 0.000008303 0.00001857 0.000041509999999 0.000092829999999 117-39-5 5280343 144209506 A A Quercetin Oc1ccc(cc1O)C=3Oc2cc(O)cc(O)c2C(=O)C=3O Tox21_202308 -NCGC00164139-03 196722436 tox21-ror-cho-viability-p1 set3 4 5.3080386368 -16.94595042 -0.5 -17.44595042 0.6 0.8604844542 0.0025970549 0.13218312 -1.76727633 0.68370691 -2.02704002 -0.14232769 -1.91715017 0.42773247 -1.96228054 -5.39631092 -6.28182956 -3.76950476 -7.0181334 -12.87162535 -11.32285377 1.4986915 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3147-75-9 62485 170466580 F Octrizole CC(C)(C)CC(C)(C)c1cc(c(O)cc1)n2nc3ccccc3n2 Tox21_112086_1 -NCGC00159473-05 196722441 tox21-ror-cho-viability-p1 set3 2.2 60.8819825247 69.0719440439 0.592611948 69.6645559919 1.8851180601 0.8246691654 0.0045181909 1.97387677 2.55465692 2.52533883 -12.14483867 -0.06642215 0.6604736 2.85812015 -9.46188068 3.02406039 1.3244361 4.27306546 6.79765388 17.69738983 12.97476781 54.51934485 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004107 0.00009184 3616-78-2 16219349 144206418 A A (-)-Fenfluramine hydrochloride Cl.FC(F)(F)c1cccc(C[C@@H](C)NCC)c1 Tox21_112865 -NCGC00263653-01 196722453 tox21-ror-cho-viability-p1 set3 4 11.8832183006 18.7240422 -1.7240422 17 0.8999999999 0.7849344775 0.0108059907 -4.05044938 0.62577585 -0.48705219 -0.94388021 -0.38839411 -0.62227936 -3.42135175 -0.63619405 -4.3533685 -1.32880359 3.02817468 8.41754358 2.27660355 8.33423108 15.0881535 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 64603-91-4 3448 170466512 Z Gaboxadol O=C2NOC=1CNCCC=12 Tox21_110271_1 -NCGC00160590-03 196705285 tox21-ror-cho-viability-p1 set1 4 -2.09571514 -3.72963371 0.64268288 0.06383182 -1.99793579 -5.7856909 -1.03621557 -0.20815852 -0.08457283 0.51074575 0.60043085 -0.87266053 -0.97264943 -1.36388646 0.29041091 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1146-98-1 14369 170466392 F Bromindione Brc1ccc(cc1)C3C(=O)c2ccccc2C3=O Tox21_111919_1 -NCGC00092299-02 196704860 tox21-ror-cho-viability-p1 set1 4 1.01215463 0.12954402 1.19497477 4.06357039 2.55681783 5.51415264 0.70847954 1.98755455 4.25273345 2.28142952 2.43243931 2.66797564 4.90255006 3.21104096 6.50478348 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 76541-72-5 60910 170466373 A Mifobate Clc1ccc(cc1)C(OP(=O)(OC)OC)P(=O)(OC)OC Tox21_111190_1 -NCGC00095160-03 196704874 tox21-ror-cho-viability-p1 set1 4 1.23644587 1.34857462 0.8792343 -1.80526359 -2.40854935 -1.34403163 -3.10366154 -1.04916709 -0.32891904 -0.07849872 -1.08431127 7.50814905 0.03717599 0.27237478 1.26477932 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 22839-47-0 134601 170466109 A Aspartame O=C(O)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC Tox21_111080_1 -NCGC00018221-08 196704876 tox21-ror-cho-viability-p1 set1 4 -0.7446703 1.46454323 1.83785196 -0.4150905 0.04628762 1.51251157 -4.11772331 -0.5888985 1.59205125 1.09552095 1.97949626 0.43328371 0.54668101 0.14525279 1.62137712 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00163903-03 196705292 tox21-ror-cho-viability-p1 set1 4 1.75642674 2.36707907 0.7250425 -0.59487294 -0.3754634 0.00034335 -1.345286 -0.23902986 0.53392556 0.05738894 2.3035437 1.24844357 0.03069698 -0.4592173 0.06914345 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00075916-04 196705293 tox21-ror-cho-viability-p1 set1 4 -1.96031394 0.12694164 1.62576605 -0.00211543 2.0401962 1.64963079 4.7125884 5.64867807 4.53605338 1.36721441 2.00746731 3.07208185 4.42996099 4.87457552 2.84936369 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27511-99-5 33925 170466441 A Eterobarb COCN1C(=O)C(CC)(C(=O)N(COC)C1=O)c2ccccc2 Tox21_110991_1 -NCGC00164572-02 196705296 tox21-ror-cho-viability-p1 set1 -3 33.4914596268 -34.590287688 0.5 -34.090287688 4.9549173134 0.9746322066 1.876E-7 1.75576477 -0.57019793 -0.29297735 -0.29244991 -0.0575508 -0.14414568 1.32522326 0.60430708 3.023261 -0.95681604 0.1561299 1.39084093 -0.37131788 -0.53255966 -30.07523974 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 168273-06-1 104850 170465599 A Rimonabant O=C(NN1CCCCC1)c4nn(c2ccc(Cl)cc2Cl)c(c3ccc(Cl)cc3)c4C Tox21_112200_1 -NCGC00091454-07 196705297 tox21-ror-cho-viability-p1 set1 4 0.00756686 0.2457932 -0.75817518 0.29500711 0.51215764 0.50217944 0.50227129 5.49273709 1.44861974 1.94063837 2.8289297 -0.58151031 2.39487498 2.53424392 -0.40522145 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 108-95-2 996 170465486 F Phenol Oc1ccccc1 Tox21_113463_1 -NCGC00090776-02 196705692 tox21-ror-cho-viability-p1 set1 4 1.75234708 7.63014132 2.57317444 5.68935419 3.48129178 4.39663319 2.90444939 5.14576896 -18.85718938 -0.64836184 -0.91515467 0.21276759 0.59799286 -1.09403739 0.46768522 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00259298-01 196705695 tox21-ror-cho-viability-p1 set1 4 2.06135729 3.60039114 0.92293512 2.17505157 1.66507135 2.55866262 2.78968859 -1.03943207 -3.74472517 8.14406928 -1.71382926 0.37264576 1.34173278 -0.4505254 2.28262146 1.183E-9 2.645E-9 5.914E-9 1.322E-8 2.9569999999E-8 6.612E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003696 0.000008265 0.00001848 0.00004133 0.000092409999999 496-72-0 10332 144208947 A A 3,4-Diaminotoluene Cc1cc(N)c(N)cc1 Tox21_201749 -NCGC00015009-16 196704488 tox21-ror-cho-viability-p1 set1 4 1.67914454 -7.85131166 0.52031908 1.4868706 -1.06638775 -0.69621129 0.63763426 1.83477856 0.32492982 0.87300804 0.76909949 -0.35073756 1.62067653 1.27156332 2.45021063 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 504-24-5 1727 170466526 Z 4-Aminopyridine Nc1ccncc1 Tox21_110065_1 -NCGC00260509-01 196704070 tox21-ror-cho-viability-p1 set1 4 48.4589889209 -14.863024432 -1.5 -16.363024432 2.7202212143 0.8956358568 0.0004078995 -0.42780773 -1.523276 -0.92037791 -2.69667848 -1.91905123 -1.70836818 -1.56555456 -3.80931748 -1.4599799 -2.14449024 -0.42376132 0.51952028 -0.21189171 -7.60411636 -14.05252036 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 1210-12-4 14586 144210161 A A 9-Cyanoanthracene N#Cc2c3ccccc3cc1ccccc12 Tox21_202963 -NCGC00260018-01 196704077 tox21-ror-cho-viability-p1 set1 4 -1.8104075 0.75219378 -1.47014317 -2.01835628 -0.0764378 -0.25617708 5.3798087 7.4064346 7.41909266 6.60649792 3.85420549 -0.09392833 -1.76720833 3.03481335 1.45918671 5.902E-10 1.32E-9 2.951E-9 6.598E-9 1.4749999999E-8 3.299E-8 7.377E-8 1.65E-7 3.688E-7 8.2479999999E-7 0.000001844 0.000004124 0.000009221 0.00002062 0.00004611 68631-49-2 155166 144209667 Fc 2,2',4,4',5,5'-Hexabromodiphenyl ether Brc2cc(Oc1cc(Br)c(Br)cc1Br)c(Br)cc2Br Tox21_202469 -NCGC00164573-02 196704468 tox21-ror-cho-viability-p1 set1 4 -0.72337183 -1.30139216 4.68964863 -1.34976565 0.95749979 0.33459619 -4.02721058 -0.03584598 -5.6738931 2.63957847 0.07035805 -1.38166865 -3.78609275 2.00061939 2.56296296 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17617-23-1 3393 170465018 A Flurazepam Fc3ccccc3C2=NCC(=O)N(CCN(CC)CC)c1ccc(Cl)cc12 Tox21_112201_1 -NCGC00254975-01 196713922 tox21-ror-cho-viability-p1 set2 4 -0.79079871 3.90807751 0.91037341 4.47570739 -0.93842345 -0.33852691 -1.85955104 5.29629791 -0.50990816 0.15947563 4.47905541 2.80247163 3.28960041 1.92252661 1.69378828 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106797-53-9 86266 144211391 A A 2-Hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one CC(C)(O)C(=O)c1ccc(OCCO)cc1 Tox21_301074 -NCGC00090771-04 196713501 tox21-ror-cho-viability-p1 set2 4 0.003349146 -17.521201944 18 0.478798056 1.4641 0.9294432704 0.0000541292 16.72128086 12.04289041 12.45628908 3.81666249 0.41837304 3.67373561 1.56422181 -0.36313084 -0.63011411 0.03581005 0.35446601 0.42489608 0.00121979 -0.85100162 1.97080361 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7585-39-9 444041 170466376 F beta-Cyclodextrin OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O Tox21_111017_1 -NCGC00263894-02 196713504 tox21-ror-cho-viability-p1 set2 4 -6.70991749 -5.91402273 -5.12629757 0.70709559 -5.01404196 0.84774421 1.1963319 -0.75637557 0.28201388 -0.75409282 -1.58221218 0.56658747 0.53079701 2.65738736 0.001707 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 461-05-2 9794197 170465037 Z Carnitine hydrochloride Cl.C[N+](C)(C)CC(O)CC(=O)[O-] Tox21_111339_1 -NCGC00254964-01 196713923 tox21-ror-cho-viability-p1 set2 4 -0.76512051 -0.14570974 4.00703889 -0.86268665 2.02575311 3.14726411 -1.74218554 3.25141463 -0.63357359 1.11025716 0.65145174 0.52066613 0.24663174 -1.9348886 2.00516743 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10361-91-8 61510 144211379 Ytterbium(III) chloride Cl[Yb](Cl)Cl Tox21_301062 -NCGC00254239-01 196714328 tox21-ror-cho-viability-p1 set2 4 4.3277125691 20.5 4 24.5 0.3 0.3330432724 0.3359803194 2.70020021 4.04332739 13.30884267 15.56067711 3.64239143 14.07581107 0.39604533 4.89030039 17.26451239 16.60964028 4.48121943 20.54641223 17.03252019 15.24659632 20.10984794 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58394-64-2 94037 144210642 D Benzyloctyl adipate CCC(CCCC)COC(=O)CCCCC(=O)OCc1ccccc1 Tox21_300324 -NCGC00255011-01 196714341 tox21-ror-cho-viability-p1 set2 4 -0.48489756 3.42369517 1.15883738 -0.35419562 -1.75478157 3.97862778 0.23734494 -2.01016383 0.92127916 3.87765302 -0.30989155 2.55657035 4.46099336 -1.9595882 0.05099213 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 314-40-9 9411 144211428 A A Bromacil CCC(C)N1C(=O)C(Br)=C(C)NC1=O Tox21_301111 -NCGC00254483-01 196714740 tox21-ror-cho-viability-p1 set2 4 0.20091344 -0.0912175 -0.80224444 -4.01160506 -3.22339772 -3.71410738 -0.0334983 -5.34582515 0.80271496 0.73040004 0.81707044 0.08096832 -0.14380816 1.16302454 1.74041613 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 29590-42-9 165746 144210717 D Isooctyl acrylate CC(C)CCCCCOC(=O)C=C Tox21_300399 -NCGC00091775-03 196714746 tox21-ror-cho-viability-p1 set2 4 -1.96852179 -3.55795753 -6.46119793 -2.88115785 -1.66112856 -10.50766968 -9.27587966 -6.67840833 -2.85263541 -1.92934382 -0.02590098 -3.66494111 -7.7828552 -10.77117177 -15.19535223 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00254161-01 196714757 tox21-ror-cho-viability-p1 set2 4 0.08970754 -0.51844606 0.12993007 0.49136998 0.77730075 -0.02464897 -0.08350658 -0.42377289 1.89746687 0.709409 0.18994538 4.93459951 3.03486588 4.75635269 5.32994169 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-29-7 7292 144210482 A I 2-Butanone oxime C/C(CC)=N\O Tox21_300162 -NCGC00254319-01 196713956 tox21-ror-cho-viability-p1 set2 4 -1.41206059 -5.24103783 0.57661431 -1.47286823 -0.0780613 -0.54358068 -2.11867648 -3.66828298 -0.96959028 -3.35083926 -9.431575 -0.35006693 0.14854433 -2.34926474 -1.97058233 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-20-2 11813 144210797 A A 2,6-Dinitrotoluene Cc1c(cccc1[N+](=O)[O-])[N+]([O-])=O Tox21_300479 -NCGC00254043-01 196713948 tox21-ror-cho-viability-p1 set2 4 2.02317769 -0.62643479 4.45337573 1.62183167 -0.94659356 2.19426314 -0.47760542 2.15055511 1.16765542 1.01875555 2.2171864 2.50545143 2.94812943 -1.07367077 -0.51192372 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-69-4 444305 144210475 A A L-Tartaric acid O=C(O)[C@H](O)[C@@H](O)C(O)=O Tox21_300155 -NCGC00254261-01 196713952 tox21-ror-cho-viability-p1 set2 4 -2.98293131 -1.66733967 2.54334379 2.14106163 -4.03272301 -4.59328773 -9.56159593 -3.41248101 1.78778614 -1.60368916 -3.08056938 0.42997657 -3.0040967 -3.83758063 -1.29175199 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-43-6 6597 144210737 AC Ac Dichloroacetic acid ClC(Cl)C(=O)O Tox21_300419 -NCGC00254577-01 196713955 tox21-ror-cho-viability-p1 set2 4 54.4826732819 -31.460655112 -4 -35.460655112 0.4 0.5527701765 0.1331245042 0.68019456 -1.3997419 -3.44538444 -11.22533572 -0.79806945 -16.08621251 -11.601927 -7.97716196 -10.37723354 -11.84540823 -8.05913593 -8.39159898 -10.11068651 -20.78905236 -27.88387926 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-27-9 7551 144210986 A F Barban Clc1cc(NC(=O)OCC#CCCl)ccc1 Tox21_300669 -NCGC00164539-02 196725677 tox21-ror-cho-viability-p1 set3 4 0.5171419005 5.498285348 -3.498285348 2 3.0654483358 0.5534967709 0.1503749412 -0.50946585 -9.16523779 -1.54963058 -0.99970364 -3.72642267 -2.57083366 -3.93030314 -6.64425287 -2.82841978 -1.75870446 1.49597146 1.63488747 1.91473073 1.80693875 -1.44309609 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 49864-70-2 39526 170466407 A Azaclorzine Clc1cc2N(c3ccccc3Sc2cc1)C(=O)CCN4CC5CCCN5CC4 Tox21_112168_1 -NCGC00160364-02 196725256 tox21-ror-cho-viability-p1 set3 4 0.0059557173 -21.777124944 9 -12.777124944 1.752947691 0.7145599312 0.0318717501 5.18356342 14.01728276 0 0 -10.90687792 -12.02085256 -11.04289332 -11.61246408 0 -17.80384719 -20.64760412 -8.58026977 -16.3154189 -13.08176356 -14.2823702 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104-22-3 66909 170466263 A Benzylsulfamide Nc1ccc(cc1)S(=O)(=O)NCc2ccccc2 Tox21_111765_1 -NCGC00091175-03 196725663 tox21-ror-cho-viability-p1 set3 4 0.86202481 -0.55018478 5.8196133 0.42988572 4.60764246 -0.49271399 -0.64987481 -1.32218987 -3.94032908 0.11707345 -0.64856419 -1.42908748 -3.6947839 -2.26524109 -0.90720124 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118-92-3 227 170465552 A Anthranilic acid OC(=O)c1ccccc1N Tox21_111095_1 -NCGC00166309-02 196725664 tox21-ror-cho-viability-p1 set3 4 0.0023710138 9.327729504 -5.327729504 4 4.9549173134 0.3477028755 0.3225898807 -5.20347115 -5.27310792 1.9019624 2.05585685 8.570786 11.26199055 11.70170445 -0.6910299 -1.05551572 5.56988333 6.53260918 -1.93261984 -1.01359961 4.77518034 0.36946119 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 850-52-2 10041070 170465646 A Altrenogest O=C3C=C4CC[C@@H]2C(C=C[C@@]1(C)[C@H]2CC[C@@]1(O)CC=C)=C4CC3 Tox21_113356_1 -NCGC00274063-01 196725681 tox21-ror-cho-viability-p1 set3 4 9.4391758155 -10.468504612 5.5 -4.968504612 4.9549173134 0.3330188789 0.3362343081 0.77648912 1.78947355 1.12052653 0.82270152 0.85536177 0.10945684 7.25741428 7.2257728 17.49931461 11.29477265 10.06408618 4.26569063 0.39446367 -9.14042051 -0.60424345 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77469-98-8 10126299 170465745 F Pimobendan Cl.COc1ccc(cc1)c2nc3ccc(cc3n2)C4=NNC(=O)CC4C Tox21_112667_1 -NCGC00015838-06 196726075 tox21-ror-cho-viability-p1 set3 2.4 18.8336317891 31.4650661521 2.5349338479 34 0.5 0.7080862688 0.0345958136 1.52259992 2.20311649 1.84608319 4.06906567 6.4946588 -2.47088846 0.56233488 7.43037761 11.86084929 13.37070381 11.5512336 3.48791001 14.42259626 16.84175196 25.87959855 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7681-67-6 24351 170466841 A Propionylpromazine hydrochloride Cl.CCC(=O)c1cc2N(CCCN(C)C)c3ccccc3Sc2cc1 Tox21_110240_1 -NCGC00183014-01 196726076 tox21-ror-cho-viability-p1 set3 -2.4 33.4914596268 -30.0987568079 0.5 -29.5987568079 4.9549173134 0.7925237063 0.0092767784 -6.19744806 0 -0.4846172 -1.13525768 5.6398474 1.19421599 -1.15450951 -0.54885283 6.9467792 -0.13859359 6.17748637 -0.20229666 -2.78898364 0.51906457 -26.33229734 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3772-76-7 19596 144206847 A A Sulfamethomidine Cc2nc(NS(=O)(=O)c1ccc(N)cc1)cc(OC)n2 Tox21_113296 -NCGC00255452-01 196727835 tox21-ror-cho-viability-p1 set3 -1.1 2.7306020303 -81.2912879298 1.2334621039 -80.0578258259 2.2526478767 0.9960837117 0.0002358613 0 1.51898442 6.59331801 -1.61559392 -0.74728282 -0.03511376 -0.76021448 4.69509633 -30.71264869 12.18412324 -52.16462771 -72.89699785 -79.58824304 -81.07206095 -78.95899885 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3737-41-5 77328 144212517 F Bc 3,3,4,4-Tetrachlorotetrahydrothiophene 1,1-dioxide ClC1(Cl)CS(=O)(=O)CC1(Cl)Cl Tox21_302200 -NCGC00257109-01 196727002 tox21-ror-cho-viability-p1 set3 4 2.63092102 3.51154178 0.98088213 1.68013414 3.29327336 1.06390501 0.19611809 1.24035253 2.51444216 1.79196922 1.0996356 3.5230937 2.55815311 3.05191451 4.24930612 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 0.000091709999999 108-80-5 7956 144213509 F Ac Cyanuric acid Oc1nc(O)nc(O)n1 Tox21_303192 -NCGC00091839-03 196727404 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -22.17784068 1 -21.17784068 4.9549173134 0.9591743776 0.000002791 -0.72458699 0.73699105 1.47424293 0.87901545 0.75848213 1.5084705 2.36759789 1.26463267 -0.00823953 1.89554138 0.85338071 0.01168329 -1.11941435 -0.42054151 -17.2315339 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00256597-01 196727424 tox21-ror-cho-viability-p1 set3 4 -0.97831848 6.81035601 -1.07966018 2.68285855 1.4916905 1.53838992 -2.73433254 -0.67751384 -1.29438948 -3.3740703 -1.75603502 1.81947644 0.45494335 -0.44711509 1.36870333 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-52-4 7991 144213347 Ac Pentanoic acid CCCCC(=O)O Tox21_303030 -NCGC00255155-01 196727836 tox21-ror-cho-viability-p1 set3 4 6.8589621897 -7.280711712 2.5 -4.780711712 4.9549173134 0.3813226776 0.3072751309 -3.57653445 2.08625552 -1.23185627 6.76740603 -0.52184684 -1.41358425 8.23125226 0.31216753 5.18261076 5.95971707 5.87957532 -3.07530867 -6.06725976 -3.22680197 0.20380038 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1742-14-9 74448 144212085 A A 1,1-Bis(3,4-dimethylphenyl)ethane Cc1ccc(cc1C)C(C)c2ccc(C)c(C)c2 Tox21_301768 -NCGC00015703-06 196722866 tox21-ror-cho-viability-p1 set3 4 0.16785492 7.207880976 -2.207880976 5 4.9549173134 0.5295869017 0.1531582986 -2.97352712 -3.59486158 0.50443315 -2.30922611 -1.65799625 -1.35241199 -4.75656748 0.89843361 7.10102801 4.83430746 5.62559093 1.42430836 1.86368417 -0.90985638 13.68791271 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60-40-2 4032 170465225 A Mecamylamine CNC2(C)C1CCC(C1)C2(C)C Tox21_110198_1 -NCGC00159476-09 196722456 tox21-ror-cho-viability-p1 set3 -2.2 29.8492948118 -73.4666643819 10.633309714 -62.8333546679 0.5 0.6993232469 0.0382812676 26.36058158 16.54586418 9.08069643 3.66638043 0 0.26137558 11.31646114 -1.90099767 8.2922353 -6.94391078 -9.42489539 -0.57767004 -10.61698086 -11.84394541 -46.3056127 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87-10-5 14868 170465542 A Tribromsalan Oc1c(cc(Br)cc1Br)C(=O)Nc2ccc(Br)cc2 Tox21_111700_1 -NCGC00090987-03 196722457 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -19.671015816 1 -18.671015816 4.9549173134 0.5017601072 0.1772683344 6.286878 1.80924096 0.29737145 2.84368471 0.52490747 -0.6679006 -0.18071643 -0.85972604 2.40139443 -3.40535977 4.7204525 -8.9947859 5.24927146 2.29061295 -13.89251318 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00164507-03 196722853 tox21-ror-cho-viability-p1 set3 4 2.9849294812 -13.172810096 0.5 -12.672810096 4.9549173134 0.7871506817 0.014117687 -1.67774472 1.83071749 -1.47718563 -0.53495802 -1.71660114 3.79183757 2.52345331 1.77316612 -4.72936048 4.9881772 2.64364109 -12.67262041 -13.06067508 -10.54822155 -1.01216419 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6236-05-1 22601 170466089 I Nifuroxime O=[N+]([O-])c1ccc(/C=N\O)o1 Tox21_112143_1 -NCGC00016244-15 196722867 tox21-ror-cho-viability-p1 set3 4 0.2984929481 -13.7691825999 4.5 -9.2691825999 4.9549173134 0.587009872 0.1208073228 5.4377313 8.62294435 1.10166003 12.19568873 -4.70134505 -7.04606806 6.0000499 13.71065677 -7.68714594 -8.80843459 -11.8909855 -7.77292311 -10.38433407 -7.49552751 1.56102955 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54-85-3 3767 170466877 Z Isoniazid O=C(NN)c1ccncc1 Tox21_113640_1 -NCGC00091023-06 196722873 tox21-ror-cho-viability-p1 set3 4 26.6032120037 -23.762770916 1 -22.762770916 3.5117481694 0.5612288205 0.1263345212 1.7565916 -4.58427947 -8.47196324 0 -4.49753304 0 -1.11350084 0 7.24108913 9.21228296 8.32948696 3.99958876 2.07451802 -6.75301442 -19.38564243 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 140-72-7 8816 170465500 D Cetylpyridinium bromide [Br-].CCCCCCCCCCCCCCCC[n+]1ccccc1 Tox21_111061_1 -NCGC00024567-03 196723276 tox21-ror-cho-viability-p1 set3 4 3.58956938 4.22704576 -0.97276916 -1.31622953 4.62421268 -2.52953697 -0.33643483 2.18974791 -4.13890273 -2.37541258 3.25994541 -1.63164585 -4.50756036 -3.54354009 8.49272962 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 115-79-7 8288 170465386 A Ambenonium chloride [Cl-].[Cl-].Clc2ccccc2C[N+](CC)(CC)CCNC(=O)C(=O)NCC[N+](Cc1ccccc1Cl)(CC)CC Tox21_112030_1 -NCGC00262908-01 196723278 tox21-ror-cho-viability-p1 set3 -2.1 10.5909294584 -80.9907981456 -1.0705910039 -82.0613891495 1.692447691 0.9920723747 2E-10 -0.75595544 -4.66071909 -1.03668015 -1.86797542 -0.48987856 -2.26929615 -3.9096921 -0.64267785 3.33425342 -0.58020581 -3.87303719 -17.59053484 -36.57585772 -59.68906471 -77.37165662 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 70-10-0 6258 170466391 A A Ticlatone Clc1ccc2c(c1)SNC2=O Tox21_113906 -NCGC00253634-01 196723690 tox21-ror-cho-viability-p1 set3 4 9.36663967 3.05288975 -4.91682406 6.34308779 12.60108731 -4.92109567 0.53509458 5.26976457 3.71486516 4.69959762 2.55698743 0.9482744 -1.74670958 2.52568168 13.05511297 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 22663-37-2 89785 170466753 A C 1-(4-Chlorobenzenesulfonyl)urea O=S(=O)(NC(N)=O)c1ccc(Cl)cc1 Tox21_113761 -NCGC00090827-04 196723695 tox21-ror-cho-viability-p1 set3 4 -0.90253738 -1.48827051 -1.6121111 3.03159688 3.88110536 1.56479307 -0.3059385 2.08355567 11.05333562 -1.53119154 0.35353943 2.14906472 8.25068132 -1.27007628 -5.61557558 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00254583-01 196699218 tox21-ror-cho-viability-p1 set1 4 8.6349217992 4.016243784 -0.516243784 3.5 4.9549173134 0.341187889 0.3325732 -1.42263282 0.20905738 -2.78930946 2.89052049 0.07057047 1.48922278 -1.07020251 -0.88527317 1.78239784 -0.48725053 -7.09686982 1.70606794 5.45563653 2.67525879 2.15688497 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-48-4 60995 144210992 A A (2,2-Dimethoxyethyl)benzene COC(OC)Cc1ccccc1 Tox21_300675 -NCGC00254735-01 196698801 tox21-ror-cho-viability-p1 set1 4 4.82131513 0.37538818 -0.59065606 -0.29024119 0.23549915 -1.59249622 1.80466436 0.71231107 -0.76569982 -0.19476181 1.13944931 -1.65522518 6.35747525 -2.52561164 7.17726377 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 5902-51-2 22188 144211148 A A Terbacil O=C1NC(C)=C(Cl)C(=O)N1C(C)(C)C Tox21_300831 -NCGC00255065-01 196698806 tox21-ror-cho-viability-p1 set1 4 -0.14918443 -0.45965384 0.62329441 -0.60481263 -0.27791124 0.49451567 10.57291129 0.06530552 3.51314174 -0.45592031 0.69631885 0.67153366 -0.85858233 2.92756758 7.17530856 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-40-7 8049 144211484 A A Diethyl decanedioate O=C(CCCCCCCCC(=O)OCC)OCC Tox21_301167 -NCGC00258957-01 196706546 tox21-ror-cho-viability-p1 set1 4 4.90307602 -0.10958379 4.4992284 3.04229805 1.63597423 2.34923561 0.63235726 -1.55940849 5.44509113 14.36823297 -1.93945714 1.53886289 0.31349816 -0.72542519 6.26259892 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.303E-7 7.387E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 149-57-5 8697 144208604 A A 2-Ethylhexanoic acid CCCCC(CC)C(=O)O Tox21_201406 -NCGC00259595-01 196706123 tox21-ror-cho-viability-p1 set1 -2.2 30.6690184797 -69.2856408314 1.5654098925 -67.7202309389 0.9999999999 0.9201332459 0.0001023598 0.6813129 0.51667263 9.2880908 0.08380473 -0.14576238 1.00823187 0.4250525 1.50940849 0.25830026 1.08438821 -14.28951552 -19.4427066 -18.5545422 -31.11050837 -59.40371135 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.953E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.000001651 0.0000036909999999 0.000008253 0.000018449999999 0.000041259999999 0.00009227 2312-35-8 4936 144209244 A A Propargite CC(C)(C)c1ccc(cc1)OC2CCCCC2OS(=O)OCC#C Tox21_202046 -NCGC00259704-01 196706534 tox21-ror-cho-viability-p1 set1 4 -0.72264294 -0.56304826 0.24237935 -1.49236288 -0.98952632 -2.8666912 -0.70313909 -0.60029057 8.66728721 0 1.77422416 -0.12267512 0.35650639 -0.02638301 1.33123981 1.175E-9 2.626E-9 5.873E-9 1.3129999999E-8 2.936E-8 6.566E-8 1.468E-7 3.2829999999E-7 7.341E-7 0.000001641 0.0000036699999999 0.000008207 0.00001835 0.00004104 0.00009176 7632-00-0 23668193 144209353 Sodium nitrite [Na+].[O-]N=O Tox21_202155 -NCGC00260672-01 196706539 tox21-ror-cho-viability-p1 set1 4 -1.13273638 -2.26384235 -9.2200091 -14.2635936 0.29072783 -4.22917126 -6.21071302 1.1993823 -0.78737038 0 -5.7953487 -5.24381768 -11.38923917 -16.80215163 -10.04385641 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.3169999999E-8 2.9459999999E-8 6.587E-8 1.4729999999E-7 3.294E-7 7.365E-7 0.0000016469999999 0.0000036819999999 0.000008234 0.000018409999999 0.00004117 0.00009206 1330-78-5 6529 144208744 A A Tricresyl phosphate Cc1ccc(cc1)OP(=O)(Oc2ccc(C)cc2)Oc3ccc(C)cc3 Tox21_201546 -NCGC00258872-01 196706957 tox21-ror-cho-viability-p1 set1 4 1.1247666327 -12.508139196 3.5 -9.008139196 3.1319983358 0.7618374343 0.021323062 -0.12776108 4.49231653 -1.08871758 5.32644452 4.8461961 4.29000633 3.65511095 4.10638873 2.99782938 -8.74673315 -11.67344933 -0.99656708 -9.52647537 -11.6527727 5.12265167 1.214E-9 2.7139999999E-9 6.0679999999E-9 1.357E-8 3.034E-8 6.7839999999E-8 1.517E-7 3.3919999999E-7 7.5849999999E-7 0.000001696 0.0000037919999999 0.00000848 0.00001896 0.000042399999999 0.00009481 112-50-5 8190 144208518 A A 2-[2-(2-Ethoxyethoxy)ethoxy]ethanol OCCOCCOCCOCC Tox21_201320 -NCGC00256922-01 196706963 tox21-ror-cho-viability-p1 set1 4 -0.87213942 0.11471238 0.73152294 -0.34983442 -0.38487395 -0.25160732 0.62313551 -0.92993164 -1.42392186 2.76162746 -1.55632434 0.74950319 -6.52165832 -0.53210734 1.00708084 9.615E-10 2.15E-9 4.807E-9 1.0749999999E-8 2.404E-8 5.3749999999E-8 1.202E-7 2.6869999999E-7 6.0089999999E-7 0.000001344 0.0000030049999999 0.000006718 0.000015019999999 0.00003359 0.00007512 36631-30-8 169794 144212967 Fns Triisodecyl trimellitate CC(C)CCCCCCCOC(=O)c1cc(C(=O)OCCCCCCCC(C)C)c(cc1)C(=O)OCCCCCCCC(C)C Tox21_302650 -NCGC00256455-01 196707367 tox21-ror-cho-viability-p1 set1 4 19.3311819617 8.081338336 -1.081338336 7 4.9549173134 0.3446944416 0.3256847127 0.16187328 3.88408547 -4.77997974 0.66486451 -5.3605233 1.5050558 -7.15111528 7.15902035 1.41807729 -0.01430675 -5.8336445 -6.71108191 2.72850018 6.48378871 7.566912 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 513-37-1 10555 144213175 Fns 2,2-Dimethylvinyl chloride C/C(C)=C\Cl Tox21_302858 -NCGC00256730-01 196707779 tox21-ror-cho-viability-p1 set1 4 -5.77042178 -3.93496591 1.79195665 2.04562093 -7.84971559 -1.38431843 -9.51860333 -2.50285465 -0.96822004 -8.68147741 -1.8824063 3.36587717 -5.13205879 -1.72355576 -1.06229852 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26576-46-5 117822 144212984 A A 3-Oxo-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)butanamide CC(=O)CC(=O)Nc1ccc2NC(=O)Nc2c1 Tox21_302667 -NCGC00259364-01 196706149 tox21-ror-cho-viability-p1 set1 4 10.60767537 3.92525539 3.88509494 1.77196499 -0.47713797 3.15903709 1.71115117 0.3131944 7.80588325 -6.0844421 3.28943385 4.11203364 2.13282272 3.16795375 6.36070968 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 3778-73-2 3690 144209013 A A Ifosfamide O=P1(NCCCl)OCCCN1CCCl Tox21_201815 -NCGC00259376-01 196706137 tox21-ror-cho-viability-p1 set1 4 -1.37343742 -2.01720703 0.41635613 -2.35804632 -1.26595484 -3.18931666 -0.49048992 6.96120006 -2.04783225 11.65802329 0.52740466 0.0476266 -1.5893662 0.95550562 0.37875064 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.952E-8 6.6E-8 1.476E-7 3.3E-7 7.379E-7 0.0000016499999999 0.0000036889999999 0.0000082499999999 0.000018449999999 0.00004125 0.000092239999999 51333-22-3 40000 144209025 A A Budesonide OCC(=O)[C@@]53O[C@@H](O[C@@H]5C[C@H]2[C@@H]4CCC1=CC(=O)C=C[C@]1(C)[C@H]4[C@@H](O)C[C@@]23C)CCC Tox21_201827 -NCGC00090858-02 196706146 tox21-ror-cho-viability-p1 set1 4 1.79125611 7.10670395 -0.0098755 -7.20315774 4.93702083 -6.51905307 0.86345572 -0.89483898 0.08836284 -9.44204986 -5.94697753 3.45455423 1.40888075 -2.55986465 3.83325173 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00260002-01 196706147 tox21-ror-cho-viability-p1 set1 4 7.14586249 5.07513019 5.38533923 0.19886323 5.38673871 0.23376475 2.88960785 -1.06195983 -6.9491456 9.84361821 4.89238333 -0.47960553 -0.28238602 -0.79426592 -2.30932976 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.295E-7 7.367E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.000041179999999 0.00009209 7085-85-0 81530 144209651 FNS Ethyl cyanoacrylate N#CC(=C)C(=O)OCC Tox21_202453 -NCGC00258930-01 196706153 tox21-ror-cho-viability-p1 set1 4 -0.54358661 0.86490868 2.88259045 3.13817617 0.84880503 2.94905653 -0.1354383 0.83740484 0.24201982 8.17898344 1.5359729 -9.96036443 2.21980792 2.42740201 1.99796379 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.65E-8 1.487E-7 3.325E-7 7.4339999999E-7 0.000001662 0.0000037169999999 0.000008312 0.00001859 0.00004156 0.00009293 460-00-4 9993 144208577 AC Ac 1-Bromo-4-fluorobenzene Fc1ccc(Br)cc1 Tox21_201379 -NCGC00258699-01 196715573 tox21-ror-cho-viability-p1 set2 4 75.3182330836 -11.94356354 3 -8.94356354 4.9549173134 0.4480991041 0.2285312953 -0.40726867 5.03903246 3.59616727 6.32970353 0.2877513 0.4234584 3.27394118 4.93099794 3.11017291 -0.65507373 3.85824064 7.77185299 0.5346759 2.95689694 -5.78630295 1.159E-9 2.592E-9 5.7959999999E-9 1.2959999999E-8 2.898E-8 6.48E-8 1.449E-7 3.24E-7 7.245E-7 0.00000162 0.000003623 0.000008101 0.000018109999999 0.000040499999999 0.00009057 103-16-2 7638 144208345 Ac Ac 4-(Benzyloxyl)phenol Oc2ccc(OCc1ccccc1)cc2 Tox21_201147 -NCGC00254615-01 196715169 tox21-ror-cho-viability-p1 set2 4 0.84970159 -6.1158097 -0.03448685 -1.917299 -4.18945418 0.81708588 -4.04155208 -0.43051303 -10.40432765 -4.98179604 -0.94427283 1.86515922 -4.44766639 -1.48102958 -3.07826361 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-10-7 7479 144211024 A A 4-Dimethylaminobenzaldehyde CN(C)c1ccc(C=O)cc1 Tox21_300707 -NCGC00257601-01 196715579 tox21-ror-cho-viability-p1 set2 4 -3.99758031 -1.94684528 -1.20937543 -3.3011891 -2.92696342 -4.47866062 0.14679876 -1.91426496 2.6587012 0.30304163 -3.49365994 -1.39865185 -0.89993851 2.54103711 -0.49104087 1.244E-9 2.782E-9 6.22E-9 1.391E-8 3.11E-8 6.954E-8 1.5549999999E-7 3.4769999999E-7 7.775E-7 0.000001738 0.000003887 0.0000086919999999 0.00001944 0.00004346 0.00009718 2163-42-0 75103 144207245 A A 2-Methylpropane-1,3-diol CC(CO)CO Tox21_200047 -NCGC00257866-01 196715591 tox21-ror-cho-viability-p1 set2 4 0.0172990416 8.5116984679 -6.0116984679 2.5 0.4999999999 0.4304536668 0.2450885684 -1.60260441 -6.67641539 -5.40904531 0.97023014 -0.2410526 0.57381509 -1.81571453 -0.2666866 1.02793541 6.49725237 -0.17538261 0.14909439 1.96313864 -0.83596825 6.35797529 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.481E-7 3.311E-7 7.4029999999E-7 0.000001655 0.000003701 0.0000082769999999 0.00001851 0.00004138 0.00009253 32536-52-0 6537506 144207510 D Octabromodiphenyl ether Brc1c(cc(Br)c(Br)c1Br)Oc2cc(Br)c(Br)c(Br)c2Br Tox21_200312 -NCGC00258105-01 196715987 tox21-ror-cho-viability-p1 set2 -2.2 55.1482208978 -44.9411146584 -1.5 -46.4411146584 2.0478617061 0.9301293366 0.000051 -3.96775754 -2.87115526 -1.93946278 1.98110299 -0.64311857 -1.31820325 2.35523145 -4.84780599 -0.36087044 1.25517848 -6.185098 1.37387051 -6.86469663 -17.22237294 -35.18266262 1.1919999999E-9 2.6649999999E-9 5.96E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.332E-7 7.45E-7 0.0000016659999999 0.000003725 0.000008329 0.00001862 0.00004164 0.00009312 6521-29-5 23019 144207749 A A Pentylparaben Oc1ccc(cc1)C(=O)OCCCCC Tox21_200551 -NCGC00015060-14 196715995 tox21-ror-cho-viability-p1 set2 2.4 54.1504058934 28.2582483359 -8.2582483359 20 2.6384283767 0.720162227 0.0297250215 -9.45464031 -12.66050581 -14.79854028 -8.4136306 -1.47871638 -0.11518122 -10.58721688 -8.81859 -12.95417394 -7.56399307 -7.78468313 -6.18701759 -6.45321969 0.56357234 14.54458043 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00258773-01 196715998 tox21-ror-cho-viability-p1 set2 4 1.85461371 -0.68976311 1.48399109 0.02570045 -1.1857086 2.61329577 1.02962744 2.02214654 -1.23383284 1.80494255 6.63410515 3.10127679 0.75874403 2.2399347 2.8362931 1.194E-9 2.67E-9 5.9709999999E-9 1.335E-8 2.985E-8 6.676E-8 1.493E-7 3.338E-7 7.464E-7 0.000001669 0.000003732 0.000008345 0.00001866 0.00004172 0.00009329 119-10-8 67058 144208419 A A 1-Methoxy-4-methyl-2-nitrobenzene COc1ccc(C)cc1[N+]([O-])=O Tox21_201221 -NCGC00257831-01 196716010 tox21-ror-cho-viability-p1 set2 -2.4 43.3211400593 -31.233251052 1.5 -29.733251052 3.0654483358 0.9636142168 0.0000014498 3.60748727 1.01041043 -0.36778946 0.20251297 1.62156961 3.64618195 1.31669686 1.24437514 -1.11062472 -0.68453766 3.70164642 0.23201371 0.23929543 -12.66718721 -27.27770921 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.00004125 0.000092249999999 1074-12-0 14090 144207475 C Phenylglyoxal O=C(C=O)c1ccccc1 Tox21_200277 -NCGC00257656-01 196716414 tox21-ror-cho-viability-p1 set2 4 -1.62654234 -0.37064028 -2.44368399 1.66957389 -6.33563501 -1.22435242 -4.16959309 -2.91331373 -4.45685528 -3.01509229 2.26852199 -2.81672357 -1.14825671 -0.06950657 2.61597212 1.194E-9 2.6689999999E-9 5.969E-9 1.335E-8 2.9839999999E-8 6.6729999999E-8 1.4919999999E-7 3.337E-7 7.4609999999E-7 0.000001668 0.0000037309999999 0.000008342 0.00001865 0.00004171 0.00009326 103-63-9 7666 144207300 C Phenethyl bromide BrCCc1ccccc1 Tox21_200102 -NCGC00258389-01 196715618 tox21-ror-cho-viability-p1 set2 4 -0.86268824 1.99638274 3.32846962 0.11852459 2.81180432 -0.59832158 1.64708513 1.8757687 1.79150788 -0.49925253 2.49761509 1.75130881 -0.43909603 -0.03125744 -0.53078454 1.182E-9 2.6419999999E-9 5.909E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.386E-7 0.0000016519999999 0.000003693 0.000008258 0.00001846 0.00004129 0.000092319999999 3113-71-1 18370 144208033 A A 3-Methyl-4-nitrobenzoic acid Cc1cc(ccc1[N+](=O)[O-])C(=O)O Tox21_200835 -NCGC00254507-01 196715206 tox21-ror-cho-viability-p1 set2 4 -2.60376006 -0.77654303 0.45823545 -2.56977424 -1.26084104 -1.70562232 -0.78223369 -1.92940263 -1.41262443 -0.52508496 -0.04950442 0.07058488 0.94736515 -1.69223318 -4.63347354 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2104-64-5 16421 144210742 A A EPN S=P(OCC)(Oc1ccc(cc1)[N+]([O-])=O)c2ccccc2 Tox21_300424 -NCGC00258219-01 196715603 tox21-ror-cho-viability-p1 set2 4 -0.9617896 -6.68772699 -1.81844698 -3.51344157 0.43817091 -1.98697515 -0.51152765 -3.99914217 0.43383975 -1.25890028 -21.36404253 0.44120746 -2.76613942 -4.27732863 -5.90439139 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.945E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.000003681 0.00000823 0.000018399999999 0.00004115 0.000092019999999 302-22-7 9324 144207863 A A Chlormadinone acetate CC(=O)[C@@]3(OC(C)=O)CC[C@H]2[C@@H]4C=C(Cl)C1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_200665 -NCGC00257099-01 196726931 tox21-ror-cho-viability-p1 set3 4 -0.8778652 0.31019812 0.97268538 0.47874083 -0.22488207 0.49188242 -0.2282985 -0.00300313 -0.42148077 0.99905522 0.86299971 -1.20549092 -1.46711451 -0.63305871 1.73391157 1.227E-9 2.7439999999E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.669E-7 0.000001715 0.000003834 0.000008574 0.00001917 0.000042869999999 0.00009586 104-94-9 7732 144213356 A A 4-Methoxyaniline Nc1ccc(OC)cc1 Tox21_303039 -NCGC00256606-01 196726503 tox21-ror-cho-viability-p1 set3 -2.2 61.130564862 -71.8105508224 3.1713825934 -68.639168229 2.5884283767 0.8732823043 0.001022959 10.50979385 2.10546798 -5.68692524 14.92073695 8.74472143 2.48792116 7.36237185 5.10327634 1.22490574 1.13719647 -4.3805939 -0.9658433 -4.49261486 -13.91738301 -51.65161118 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131-56-6 8572 144213182 A A 2,4-Dihydroxybenzophenone O=C(c1ccc(O)cc1O)c2ccccc2 Tox21_302865 -NCGC00257024-01 196726917 tox21-ror-cho-viability-p1 set3 4 5.42929273 0.13004477 0.20565911 5.1201937 4.07356135 0.69428071 5.51780528 5.4047662 -19.31471466 6.07608798 -12.29255485 0.44669938 0.45285719 1.0729237 -7.5498443 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-33-3 5280450 144213397 F F Linoleic acid O=C(O)CCCCCCC/C=C\C/C=C\CCCCC Tox21_303080 -NCGC00257297-01 196726926 tox21-ror-cho-viability-p1 set3 -1.1 3.8570778872 -58.4462409611 -2.271043828 -60.7172847891 1.6266150999 0.8713793571 0.0010971379 2.13887829 -16.20479709 -0.06012155 -2.18578294 0 -14.43785749 0 0 0 -4.99393118 -28.59278246 -65.10976623 -48.05852146 -45.67147187 -70.57155999 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1166-52-5 14425 144213796 A A Dodecyl gallate Oc1cc(cc(O)c1O)C(=O)OCCCCCCCCCCCC Tox21_303487 -NCGC00256798-01 196727324 tox21-ror-cho-viability-p1 set3 4 -2.05530991 3.91821799 2.68441588 1.48307443 0.04637458 3.54915346 4.14769856 -1.71444728 -0.5293658 -0.51201283 0.00891899 1.27269609 1.12999015 0.36824725 1.30258586 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6290-37-5 61384 144212844 A Ac 2-Phenylethyl hexanoate CCCCCC(=O)OCCc1ccccc1 Tox21_302527 -NCGC00257504-01 196727325 tox21-ror-cho-viability-p1 set3 4 0.0019331182 -6.0399074199 5.5 -0.5399074199 4.5044702849 0.4243085157 0.2562494962 4.90209919 0.76250453 -0.8029654 0.66156316 0.05720392 0.57887052 -0.9188945 -5.44992285 0.92373735 -1.40403114 1.11260777 -0.96236056 -0.94472213 0.35904025 1.30888733 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52225-20-4 86472 144213754 F Fns dl-alpha-Tocopheryl acetate CC(=O)Oc2c(C)c(C)c1O[C@@](C)(CCc1c2C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C Tox21_303444 -NCGC00256808-01 196727746 tox21-ror-cho-viability-p1 set3 4 0.2433651621 5.12477988 -3.62477988 1.5 4.9549173134 0.6146041583 0.0882075416 -1.12785856 -2.24549603 -2.63434361 -5.32637581 -4.94690395 -2.85476434 -6.7706499 1.99303881 3.25947783 4.26400303 0.19675209 -1.55698891 1.14325185 -0.05773623 0.55888897 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26644-00-8 97004 144213014 I Dimethyl dihydrogen diphosphate O=P(O)(OC)OP(O)(=O)OC Tox21_302697 -NCGC00257086-01 196727748 tox21-ror-cho-viability-p1 set3 4 1.85847022 -0.34163321 1.59756927 1.84132466 1.70269238 -0.54094452 -0.71639318 1.66232095 0.81750675 1.1528957 -0.78460863 3.1249788 0.0761912 1.36280584 1.23241107 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-59-8 19188 144213481 Z Z Phenoxyacetic acid O=C(O)COc1ccccc1 Tox21_303164 -NCGC00256785-01 196727752 tox21-ror-cho-viability-p1 set3 4 2.59217572 0.25256837 -0.8410612 1.82769617 2.00817566 -0.12169385 0.46522824 3.16938149 2.67301488 1.5322472 1.61440686 2.02139424 1.1694262 0.43974434 1.78138486 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-06-1 8159 144212932 F Fc Heptyl acetate CCCCCCCOC(C)=O Tox21_302615 -NCGC00256204-01 196729071 tox21-ror-cho-viability-p1 set3 4 2.81440466 10.10370393 6.80040614 9.35971002 6.29274248 -1.01436418 9.12176024 5.82113021 5.30886719 4.23734274 7.5904296 -3.24314644 7.46121885 6.75316527 2.3836632 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 469-61-4 442348 144212622 Ac Fns alpha-Cedrene CC1=CC[C@]23CC1C(C)(C)[C@@H]3CC[C@H]2C Tox21_302305 -NCGC00255363-01 196728662 tox21-ror-cho-viability-p1 set3 4 -0.77670003 7.85313114 3.84154627 2.60066532 5.70850786 -0.97477559 9.58696554 -6.48012499 9.00453789 -1.52611251 -4.30278548 2.46318112 -2.91004698 -2.528815 0.07512207 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1982-49-6 16116 144211742 B B Siduron O=C(NC1CCCCC1C)Nc2ccccc2 Tox21_301425 -NCGC00256006-01 196729069 tox21-ror-cho-viability-p1 set3 4 0.5448267328 10.987136112 1.012863888 12 4.9549173134 0.4401158477 0.2502773302 -2.25948371 -5.40594676 3.86928947 2.54811163 3.26035198 -0.49710218 8.83549186 -1.68534764 11.27601758 17.5351239 15.79616319 17.90065606 11.95428348 -4.13949709 1.55648534 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21540-35-2 3034319 144212207 A A Methiuron S=C(Nc1cc(C)ccc1)N(C)C Tox21_301890 -NCGC00091426-02 196729070 tox21-ror-cho-viability-p1 set3 4 38.5707788719 -10.210969076 1 -9.210969076 0.9999999999 0.3480526392 0.3236322348 -1.73010145 -3.04581493 2.49202446 1.52739136 6.68929258 -0.70008923 -0.54559139 2.07384816 3.95909673 -0.36930118 1.73766217 -6.84247423 2.46588016 -5.92476007 -6.21601409 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00091086-02 196697949 tox21-ror-cho-viability-p1 set1 4 -0.05953153 0.32297128 -5.21529175 -0.57354986 -0.9383725 1.78368744 -0.16025257 -0.46757942 -5.03352291 2.50715111 -1.22153145 -1.76110688 -0.46148593 -4.54297581 -1.74243273 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00260250-01 196724115 tox21-ror-cho-viability-p1 set3 4 -3.60304767 3.58835735 -4.84576785 1.60692946 -5.49576164 -5.74085077 -1.44778166 -0.03818424 -5.29320957 -4.24972405 -1.95076413 -4.24280399 -3.74796424 -5.2639392 -2.94034035 1.185E-9 2.6499999999E-9 5.9249999999E-9 1.325E-8 2.9629999999E-8 6.625E-8 1.481E-7 3.312E-7 7.406E-7 0.000001656 0.0000037029999999 0.000008281 0.00001852 0.0000414 0.00009258 93457-69-3 11009532 144209900 A A 1-Butyl-1-methylpyrrolidinium bromide [Br-].CCCC[N+]1(C)CCCC1 Tox21_202702 -NCGC00260519-01 196724116 tox21-ror-cho-viability-p1 set3 4 0.6984706823 -8.3031136079 7.5 -0.8031136079 4.9549173134 0.4741806109 0.2190203923 2.67132202 8.49588665 10.13335709 -0.88166215 12.805867 3.67907842 6.97578372 15.99700311 0.98931066 -1.17942212 -1.53118058 -3.16926134 -0.25275405 2.19332666 8.43044309 1.198E-9 2.6779999999E-9 5.988E-9 1.339E-8 2.994E-8 6.6949999999E-8 1.497E-7 3.347E-7 7.485E-7 0.0000016739999999 0.000003742 0.000008368 0.00001871 0.00004184 0.000093559999999 1455-77-2 15078 144210171 F Guanazole Nc1nnc(N)n1 Tox21_202973 -NCGC00260050-01 196724120 tox21-ror-cho-viability-p1 set3 4 -11.13117014 -8.6105119 -6.79314355 -7.64416838 -5.99915762 -9.4698956 -5.91632293 0.88248679 -6.4302794 -4.7494299 -8.53516444 -5.97734971 -14.63989727 -19.3216354 5.88340838 1.1859999999E-9 2.651E-9 5.928E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009262 10026-24-1 61444 144209699 Cobalt sulfate heptahydrate O.O.O.O.[Co+2].O.O.O.[O-]S([O-])(=O)=O Tox21_202501 -NCGC00159524-02 196697951 tox21-ror-cho-viability-p1 set1 4 -3.46360114 0.49880162 -3.29386454 -0.48073888 0.29805583 -6.28448994 -0.47911255 -3.17976087 0.08393542 0.82372809 1.89871776 -0.36521839 0.80939436 -0.20660338 2.79097534 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71-73-8 23665410 170464734 A Thiopental sodium [Na+].O=C1NC([S-])=NC(=O)C1(CC)C(C)CCC Tox21_111741_1 -NCGC00015590-06 196697963 tox21-ror-cho-viability-p1 set1 4 -1.51916871 0.28745517 -2.53727523 1.05958889 -4.95925692 -4.14914447 -5.97714544 -0.71912605 -2.5608831 -5.41701297 -0.84736895 -3.49345943 -3.82307765 2.75544834 0.04907799 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 105431-72-9 3932 170466342 A Linopirdine O=C4N(c1ccccc1C4(Cc2ccncc2)Cc3ccncc3)c5ccccc5 Tox21_110177_1 -NCGC00160668-03 196697965 tox21-ror-cho-viability-p1 set1 4 0.42121947 -4.80934879 1.79361118 0.9431043 -4.35331719 -2.02076991 -4.802687 -0.59609459 -5.18257295 0.17416526 1.35669074 0.39450962 0.46690671 1.8361362 1.38811345 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 127-77-5 31390 170466378 A Sulfabenz Nc1ccc(cc1)S(=O)(=O)Nc2ccccc2 Tox21_111972_1 -NCGC00179536-02 196697967 tox21-ror-cho-viability-p1 set1 4 0.88426697 5.39654587 0.53197434 0.60560138 3.35735504 -1.4809139 1.16453346 4.92212056 0.98127047 -1.09664892 0.33026396 5.00629472 3.44027537 0.07073758 3.38562574 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13292-46-1 5458213 170464760 A Rifampicin CN1CCN(CC1)/N=C/c3c2NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)C=CO[C@@]5(C)Oc4c(C)c(O)c(c2O)c(c3O)c4C5=O Tox21_111329_1 -NCGC00255549-01 196700475 tox21-ror-cho-viability-p1 set1 -2.2 47.4603972827 -74.7809629889 -0.032188941 -74.8131519299 2.3031167061 0.9767627414 1.129E-7 0.24516057 0.41391577 -4.05945325 -0.14753572 3.64525916 -2.39679828 0.04398112 0.0933524 -1.53858262 2.75776913 1.58578616 0.4646217 -9.04938019 -20.47514713 -56.67663025 9.5559999999E-10 2.137E-9 4.778E-9 1.068E-8 2.389E-8 5.342E-8 1.194E-7 2.671E-7 5.972E-7 0.000001335 0.000002986 0.0000066769999999 0.00001493 0.00003339 0.00007465 4162-45-2 20113 144212048 A A Tetrabromobisphenol A bis(2-hydroxyethyl) ether Brc1cc(cc(Br)c1OCCO)C(C)(C)c2cc(Br)c(OCCO)c(Br)c2 Tox21_301731 -NCGC00254514-01 196700063 tox21-ror-cho-viability-p1 set1 4 34.3762428541 -10.678225692 -1 -11.678225692 1.8616924601 0.6042466352 0.0949133112 3.73899002 -4.75135873 2.00371224 -0.57780273 -4.60810669 -1.02688695 -0.96281233 -2.47026636 -1.40645902 1.84635678 -0.30485964 -1.1128903 -5.43960882 -5.4162594 -11.39852141 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-63-6 5991 144210731 A A 17alpha-Ethinylestradiol Oc3cc4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@@]1(O)C#C)c4cc3 Tox21_300413 -NCGC00255888-01 196700070 tox21-ror-cho-viability-p1 set1 4 1.32076603 3.48371043 -2.06007878 0.36524706 4.03948958 5.5274984 2.48646364 5.55036956 -2.08673274 1.75416187 1.41969227 -1.43986731 -1.75398888 2.22546645 0.05148742 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1571-33-1 15295 144212377 A A Phenylphosphonic acid OP(O)(=O)c1ccccc1 Tox21_302060 -NCGC00163927-04 196700473 tox21-ror-cho-viability-p1 set1 4 0.42293284 -2.14787657 1.17755957 0.71042855 1.51202852 0.55162657 0.72567457 0.85580003 1.61278904 -9.86416329 -0.58084952 0.36684036 1.68672348 0.54590675 0.98664447 1.203E-9 2.6889999999E-9 6.014E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003759 0.000008404 0.000018789999999 0.00004202 0.000093959999999 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00255183-01 196700480 tox21-ror-cho-viability-p1 set1 -1.4 0.0674865291 -15.7745162739 -1.772309581 -17.5468258549 1.4641 0.3196105274 0.3631764905 -4.334965 1.12967845 -2.82943366 12.79945101 -6.93173036 -12.03081669 0.79295895 -11.11835518 -1.78761365 -10.51374612 -22.39980715 -39.9236448 -3.02439938 -7.71052715 -10.65858628 8.73E-11 1.9519999999E-10 4.3649999999E-10 9.76E-10 2.1819999999E-9 4.88E-9 1.091E-8 2.44E-8 5.4559999999E-8 1.2199999999E-7 2.7279999999E-7 6.1E-7 0.000001364 0.0000030499999999 0.00000682 25322-69-4 1030 144211758 CC Polypropylene glycol CC(O)CO Tox21_301441 -NCGC00259101-01 196709035 tox21-ror-cho-viability-p1 set2 -3 15.6211492026 -51.8246406421 0.329210489 -51.4954301531 3.5117481694 0.9342194346 0.0001740259 -1.71565443 -0.11783891 -0.72618848 0.73545813 0.37312867 -1.9152847 -0.16907859 2.6962056 1.1544582 -1.11517605 -2.15692898 1.39934062 -39.01168951 -10.88965408 -26.63780068 1.197E-9 2.676E-9 5.9839999999E-9 1.338E-8 2.992E-8 6.69E-8 1.496E-7 3.345E-7 7.48E-7 0.000001673 0.00000374 0.000008363 0.000018699999999 0.000041819999999 0.0000935 97-16-5 7327 144208750 A A 2,4-Dichlorophenyl benzenesulfonate Clc2cc(Cl)ccc2OS(=O)(=O)c1ccccc1 Tox21_201552 -NCGC00259268-01 196709020 tox21-ror-cho-viability-p1 set2 4 1.30971801 0.31702547 4.4845685 0.29495483 1.7917542 1.00339836 -0.23691204 0.38965827 2.32798154 0.51370162 2.80893268 4.43252604 6.49673897 9.46980373 4.95968995 1.171E-9 2.618E-9 5.8549999999E-9 1.3089999999E-8 2.927E-8 6.546E-8 1.464E-7 3.2729999999E-7 7.3179999999E-7 0.0000016359999999 0.0000036589999999 0.000008182 0.0000183 0.000040909999999 0.00009148 110-44-1 643460 144208917 A A Sorbic acid C\C=C\C=C\C(=O)O Tox21_201719 -NCGC00259109-01 196709025 tox21-ror-cho-viability-p1 set2 4 -2.70230779 0.86527067 0.091595 -16.53546767 -2.53678237 -3.02905826 -0.14912147 0.39170572 1.22740049 -1.8238387 -1.6633272 -0.28098883 -1.01954388 -0.34053141 -0.55317426 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.96E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 1825-21-4 15767 144208758 A Ac Pentachloroanisole Clc1c(OC)c(Cl)c(Cl)c(Cl)c1Cl Tox21_201560 -NCGC00259278-01 196709030 tox21-ror-cho-viability-p1 set2 4 0.12206492 2.11611094 -1.91423846 -1.96038778 -0.81864202 2.71976186 0.73691328 3.50569982 2.10476388 2.03935111 1.50992366 1.83247531 0.90049329 -1.84926225 0.70311259 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.299E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.00001844 0.00004124 0.00009222 84-74-2 3026 144208927 A A Dibutyl phthalate O=C(OCCCC)c1ccccc1C(=O)OCCCC Tox21_201729 -NCGC00259165-01 196709038 tox21-ror-cho-viability-p1 set2 4 3.59730776 -1.35377043 0.2782261 -2.36239397 0.29838215 2.48004419 0.36127064 -0.44173542 2.19903771 2.95725843 2.93189689 0.76356397 2.80099706 2.6494711 5.156517 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.759E-8 1.511E-7 3.38E-7 7.557E-7 0.00000169 0.0000037789999999 0.000008449 0.00001889 0.00004225 0.00009447 111-46-6 8117 144208814 A F Diethylene glycol OCCOCCO Tox21_201616 -NCGC00258795-01 196709043 tox21-ror-cho-viability-p1 set2 -2.1 38.8062454974 -98.8604215784 2.68184285 -96.1785787284 2.3331733767 0.9761657744 1.304E-7 -0.41340372 -1.92250768 4.03963477 3.18256903 3.05236367 5.09173913 -0.25922372 2.9773392 2.9212794 4.44385169 -0.05807264 -1.11990561 -1.0141114 -56.28399664 -83.08983237 1.1859999999E-9 2.6519999999E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001853 0.000041439999999 0.000092669999999 10540-29-1 2733526 144208441 A A Tamoxifen CN(C)CCOc1ccc(cc1)/C(c2ccccc2)=C(/CC)c3ccccc3 Tox21_201243 -NCGC00259277-01 196709446 tox21-ror-cho-viability-p1 set2 4 2.80652726 -0.26177917 0.0949266 -0.58650883 2.75162635 0.32423292 2.57325318 2.13473072 3.0966072 2.06944479 4.16609816 5.73459106 8.44931688 7.06293571 4.82173563 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.315E-8 2.9389999999E-8 6.573E-8 1.4699999999E-7 3.2859999999E-7 7.3489999999E-7 0.000001643 0.000003674 0.0000082159999999 0.00001837 0.00004108 0.000091859999999 97-42-7 7335 144208926 I I Carvyl acetate O=C(C)OC1CC(CC=C1C)C(=C)C Tox21_201728 -NCGC00256389-01 196707799 tox21-ror-cho-viability-p1 set1 4 0.0068589622 -7.213905812 -8.79504306 -16.008948872 4.9549173134 0.3171729411 0.3671770531 -9.23994824 -8.73119379 -11.19989891 -18.44708033 -14.07475497 -14.28336563 -17.27409363 -17.8698511 -22.92412406 -21.58716868 -18.77665679 -8.57920255 -12.41298546 -10.16556531 -10.10153798 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 504-88-1 1678 144213324 A A 3-Nitropropionic acid [O-][N+](=O)CCC(=O)O Tox21_303007 -NCGC00257322-01 196707384 tox21-ror-cho-viability-p1 set1 4 7.6958821542 10.7278580959 -9.2278580959 1.5 2.2481167061 0.3790133561 0.291943617 -13.1285032 0.54833003 -7.26508515 -5.86292719 -8.793396 -9.14925419 -1.92056932 -16.86505284 -19.77321508 -14.73128549 -2.81412714 -5.30913415 0.57880176 1.20686797 1.06290088 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 136042-19-8 23668568 144213859 A A FR130739 [Na+].CCCCc5nc1cccnc1n5Cc2ccc(cc2)c4ccccc4c3[n-]nnn3 Tox21_303554 -NCGC00257299-01 196707391 tox21-ror-cho-viability-p1 set1 4 -15.38019913 -6.41000192 -7.13064955 -11.1192297 -7.9806703 -11.08294356 -9.50262547 -14.12933416 -18.89701416 -14.78693138 -13.33298288 1.55216884 -8.73938329 -12.79238412 -8.68390208 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24468-13-1 62783 144213820 F F Carbonochloridic acid, 2-ethylhexyl ester O=C(Cl)OCC(CCCC)CC Tox21_303512 -NCGC00257387-01 196707394 tox21-ror-cho-viability-p1 set1 4 -2.38892004 -1.98127047 0.15686554 3.06628452 3.18276746 0.26878529 1.1384145 3.51394746 3.24192763 0.31774805 -2.09184512 1.41522848 0.79774624 1.15699605 -0.95714409 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 39905-57-2 38360 144213799 A A 4-Hexyloxyaniline Nc1ccc(OCCCCCC)cc1 Tox21_303490 -NCGC00168342-02 196707805 tox21-ror-cho-viability-p1 set1 4 -1.25845108 6.41123107 6.60822495 0.03558435 4.45019918 4.36461785 6.86209219 4.70323974 6.77779793 0.47005636 4.78070559 6.87283017 4.64727993 -1.48350334 7.24004043 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00090773-04 196707814 tox21-ror-cho-viability-p1 set1 4 -19.69747737 -15.09080781 -17.7718191 -15.56475249 -16.50926758 -21.83634259 -14.33124387 -16.14472376 -23.4017526 -20.43577312 -9.18858662 -15.54224411 -8.26300164 -21.14982489 -19.3076468 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.0000016739999999 0.000003742 0.000008368 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00015615-15 196717671 tox21-ror-cho-viability-p1 set2 4 10.5909294584 -7.476904648 2.5 -4.976904648 1.6435888099 0.5640102239 0.1265610053 1.05287605 0.00492674 -0.01618819 0.53445548 5.60419597 3.46941032 6.00668118 4.51150447 1.44630831 0.23405415 2.12871718 0.6648256 -0.07156255 -3.82521099 -4.14742054 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103577-45-3 3883 170464649 A Lansoprazole FC(F)(F)COc3ccnc(CS(=O)c1nc2ccccc2n1)c3C Tox21_110184_1 -NCGC00178318-04 196718072 tox21-ror-cho-viability-p1 set2 4 2.48027222 0.49516152 2.49576034 0.19998519 2.99483734 3.32781458 5.46483224 5.53260435 2.73847927 0.26209208 3.47895933 3.39078151 1.68790544 1.85239722 2.32896386 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 19767-45-4 23662354 170464862 F Sodium 2-mercaptoethanesulfonate [Na+].[O-]S(=O)(=O)CCS Tox21_112767_1 -NCGC00016902-04 196718078 tox21-ror-cho-viability-p1 set2 4 -5.71880234 -0.41157167 -4.61413142 -0.73355941 2.72449114 0.73470572 -0.3697721 -5.79215051 1.08128583 -4.78136451 2.04210683 -2.35601343 0.28032074 -7.17415375 1.65536645 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63245-28-3 170344 170466635 A Etifenin O=C(Nc1c(cccc1CC)CC)CN(CC(=O)O)CC(=O)O Tox21_110673_1 -NCGC00094779-05 196718079 tox21-ror-cho-viability-p1 set2 4 0.5955717307 -3.40562284 4 0.59437716 4.9549173134 0.3998006778 0.2930565145 3.9279892 2.17390168 0.23190774 4.50313087 5.70057353 3.23058724 9.46362044 3.77529957 4.54069743 0.61629686 -0.7546857 0.09307777 -0.69410602 3.40905228 5.3217136 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 90-01-7 5146 170465547 Fc Salicyl alcohol OCc1ccccc1O Tox21_111330_1 -NCGC00256819-01 196718082 tox21-ror-cho-viability-p1 set2 4 -0.9862744 -0.21539198 0.588387 2.17682871 -0.35429873 1.99781387 -0.80136198 5.66861467 2.98810673 1.62175378 4.72628077 3.96556652 3.5430817 0.06480757 -0.56401173 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-67-8 31223 144212874 A A Isobutyl 3-phenylacrylate CC(C)COC(=O)C=Cc1ccccc1 Tox21_302557 -NCGC00159553-02 196717272 tox21-ror-cho-viability-p1 set2 4 -4.46229825 1.16157038 2.05999671 -0.35687259 1.3607765 -1.84039104 -2.76089671 0.60890843 -4.19231321 -1.57819477 1.16308878 -0.18408544 2.08344733 2.45121919 -1.64267744 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 161605-73-8 208953 170466123 A Fanapanel O=P(O)(O)CN1c2cc(c(cc2NC(=O)C1=O)C(F)(F)F)N3CCOCC3 Tox21_111745_1 -NCGC00162068-06 196717264 tox21-ror-cho-viability-p1 set2 4 -2.8814753 -9.90907087 -4.71171397 -4.71419 -7.49264635 -0.40606464 -2.2545062 -2.40179345 -3.77816656 -6.64153526 -2.99318997 -2.72330075 -4.87490739 -5.52281424 -0.76320089 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 909-39-7 71587 170465942 A Opipramol dihydrochloride Cl.Cl.OCCN1CCN(CC1)CCCN3c4ccccc4C=Cc2ccccc23 Tox21_111210_1 -NCGC00091080-03 196717265 tox21-ror-cho-viability-p1 set2 4 -1.11587783 1.04410959 0.02242888 1.19530323 0.72875031 0.60187188 3.45976092 -1.00573393 2.60197245 4.15510692 3.30645086 1.09650402 1.27639168 1.15413638 6.19169541 1.121E-9 2.506E-9 5.6039999999E-9 1.2529999999E-8 2.802E-8 6.265E-8 1.401E-7 3.133E-7 7.005E-7 0.000001566 0.0000035019999999 0.000007831 0.00001751 0.00003916 0.00008756 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00015818-14 196717270 tox21-ror-cho-viability-p1 set2 4 0.0668242473 6.019041088 -7.019041088 -1 4.4494702849 0.7555392994 0.0181988428 -5.97765964 -4.25536788 -8.94157466 -8.84173459 -4.36656323 -10.43253424 -2.30886896 -0.99203431 -0.44709112 -0.23733402 -1.21832394 -2.20566516 0.60299385 -1.75351287 -1.05167211 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55268-74-1 4891 170464906 A Praziquantel O=C2CN(CC1c3ccccc3CCN12)C(=O)C4CCCCC4 Tox21_110660_1 -NCGC00015608-11 196717278 tox21-ror-cho-viability-p1 set2 4 1.43507735 0.39464806 0.38101137 -5.0613182 -2.79482165 2.65610636 -4.273074 -4.43588949 0.34505378 -0.19674003 -1.06812415 -5.35050812 -0.03356552 0.31924016 0.15957433 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53179-11-6 3955 170464852 A Loperamide hydrochloride CN(C)C(=O)C(CCN1CCC(O)(CC1)c2ccc(Cl)cc2)(c3ccccc3)c4ccccc4 Tox21_110180_1 -NCGC00160525-02 196717283 tox21-ror-cho-viability-p1 set2 4 -7.22062159 -7.09260724 -8.94158364 -12.56695855 -11.21918329 -10.40230413 -3.31424869 -8.37866099 -10.91384505 -13.21561452 -8.41871909 -9.73753313 -17.17611125 -10.0363525 -12.48457382 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 151319-34-5 5719 170465168 A Zaleplon CC(=O)N(CC)c1cccc(c1)c2ccnc3c(cnn23)C#N Tox21_111872_1 -NCGC00167436-02 196717286 tox21-ror-cho-viability-p1 set2 -3 33.4914596268 -94.1812149432 -2.095741689 -96.2769566322 4.9549173134 0.9804100933 4.21E-8 -3.82273868 -5.39596296 -7.43564366 -5.43162385 -0.18922402 1.30289313 -3.33134269 -1.9431147 1.23280616 1.50394616 0.32619674 -0.21212073 -0.09335759 -9.77965908 -84.45347073 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123524-52-7 65948 170465756 A Azelnidipine [O-][N+](=O)c1cccc(c1)C2C(C(=O)OC(C)C)=C(C)NC(N)=C2C(=O)OC3CN(C3)C(c4ccccc4)c5ccccc5 Tox21_112440_1 -NCGC00090827-04 196717680 tox21-ror-cho-viability-p1 set2 4 -0.61679194 -0.07184353 1.36611724 0.59541711 4.15877438 3.0127744 1.56632215 -7.99404943 2.59946912 1.87042555 2.30604065 1.14436504 -0.76959146 2.14517157 0.25704935 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00258289-01 196730329 tox21-ror-cho-viability-p1 set3 4 -4.21096715 0.43945573 0.17735646 0.20175034 0.32046618 1.07503836 -0.002312 0.43531208 2.07196873 4.47308369 1.08842535 1.11226537 1.57422303 0.60888212 0.30067678 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.679E-8 1.493E-7 3.3389999999E-7 7.467E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004174 0.00009334 304680-35-1 2734175 144207933 A A 1-Hexyl-3-methylimidazolium hexafluorophosphate F[P-](F)(F)(F)(F)F.C[n+]1ccn(CCCCCC)c1 Tox21_200735 -NCGC00258574-01 196730334 tox21-ror-cho-viability-p1 set3 4 -1.35160745 1.93627767 0.15370226 5.02911699 -0.99567577 1.52772597 0.60485458 4.71791918 4.12348794 6.39049725 6.9359366 6.35732518 3.36647255 1.10754969 1.45952645 1.1989999999E-9 2.6819999999E-9 5.9959999999E-9 1.3409999999E-8 2.998E-8 6.704E-8 1.4989999999E-7 3.352E-7 7.495E-7 0.000001676 0.000003748 0.00000838 0.000018739999999 0.000041899999999 0.000093689999999 142-30-3 8883 144208219 A A 2,5-Dimethyl-3-hexyne-2,5-diol CC(O)(C)C#CC(C)(C)O Tox21_201021 -NCGC00257682-01 196729921 tox21-ror-cho-viability-p1 set3 -3 79.4458592809 -55.8968583199 0.2550790019 -55.641779318 4.0449729863 0.9804082959 4.22E-8 0.251893 1.20086782 0.31993379 0.75256218 1.20394655 0.85636604 2.26604383 -0.57423661 -0.02782731 1.98407725 0.84915743 -5.05836297 0.40872633 -7.88808305 -45.18316615 1.4679999999E-9 3.283E-9 7.341E-9 1.642E-8 3.6709999999E-8 8.2079999999E-8 1.835E-7 4.1039999999E-7 9.1769999999E-7 0.000002052 0.000004588 0.00001026 0.00002294 0.000051299999999 0.0001147 9004-98-2 5364713 144207326 AC A Polyoxyethylene (20) oleylether OCCOCCCCCCCC/C=C\CCCCCCCC Tox21_200128 -NCGC00258401-01 196730327 tox21-ror-cho-viability-p1 set3 4 2.91183738 1.21125262 2.0815627 1.66866262 0.41418468 1.56282657 0.54786075 -0.92373311 -0.69245203 -0.67155509 -0.66122066 -6.440335 -0.02011398 2.25311142 -4.69735421 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.000001648 0.000003684 0.000008238 0.00001842 0.00004119 0.000092099999999 22071-15-4 3825 144208045 A A Ketoprofen CC(C(=O)O)c1cccc(c1)C(=O)c2ccccc2 Tox21_200847 -NCGC00257863-01 196730336 tox21-ror-cho-viability-p1 set3 4 -17.11112382 -11.88160844 -18.08784796 -2.89203102 0 -25.61649875 -10.77890307 -24.0480061 -2.22356779 -1.06742671 -4.03099758 -2.93724286 -10.51017334 -6.58397059 -3.14854073 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041229999999 0.00009218 298-59-9 9280 144207507 A A Methylphenidate hydrochloride Cl.O=C(OC)C(C1CCCCN1)c2ccccc2 Tox21_200309 -NCGC00257693-01 196702137 tox21-ror-cho-viability-p1 set1 4 -1.64433454 -2.44078153 0.81756368 7.21843164 1.65678443 1.08662475 2.19108452 2.91941308 -1.44237578 0.92047067 0.1985256 1.75558136 6.38871179 2.20839343 1.22451328 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.468E-7 3.2829999999E-7 7.3419999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.00001835 0.00004104 0.00009177 505-32-8 10453 144207337 A B Isophytol CC(C)CCCC(C)CCCC(C)CCCC(C)(O)C=C Tox21_200139 -NCGC00258663-01 196701731 tox21-ror-cho-viability-p1 set1 4 -0.39096419 -0.52923405 4.25315076 6.75174745 -1.18391433 2.89460968 -0.00467745 -0.45437824 -2.1254032 3.12169073 -1.40845402 -2.25043899 6.35358609 -3.41706023 -1.62539278 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004127 0.00009229 89-65-6 54675810 144208309 A A Isoascorbic acid OC=1C(=O)O[C@H]([C@H](O)CO)C=1O Tox21_201111 -NCGC00258540-01 196702134 tox21-ror-cho-viability-p1 set1 4 2.6973134085 -12.954094684 -1 -13.954094684 0.9999999999 0.7360240946 0.0240332211 -4.92914947 -1.34064369 -2.7949174 2.81125032 -0.38570314 5.25410315 -6.29228707 -1.8631625 -4.42111637 -5.98515352 -7.42370224 -12.36391629 -12.69048092 -9.06587286 -16.21174557 1.1679999999E-9 2.612E-9 5.8409999999E-9 1.3059999999E-8 2.92E-8 6.53E-8 1.4599999999E-7 3.265E-7 7.3009999999E-7 0.0000016329999999 0.0000036509999999 0.000008163 0.00001825 0.00004081 0.00009126 521-18-6 10635 144208185 A A 5alpha-Dihydrotestosterone O=C3C[C@@H]4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)CC[C@@H]12)[C@@]4(C)CC3 Tox21_200987 -NCGC00258347-01 196702142 tox21-ror-cho-viability-p1 set1 4 3.81279703 1.0744658 -0.11791535 1.44115702 -0.13705261 6.18006541 11.6542222 10.26579014 11.71645545 11.21360823 -0.37552818 1.12208107 5.34021721 -0.0271388 -0.9585493 1.188E-9 2.657E-9 5.942E-9 1.3289999999E-8 2.971E-8 6.6429999999E-8 1.4849999999E-7 3.321E-7 7.427E-7 0.0000016609999999 0.000003714 0.000008304 0.00001857 0.00004152 0.00009284 504-24-5 1727 144207991 A A 4-Aminopyridine Nc1ccncc1 Tox21_200793 -NCGC00257628-01 196702150 tox21-ror-cho-viability-p1 set1 4 -5.73126429 -4.35219766 -6.86547388 -8.37793345 -9.18645707 7.66920895 -12.91687437 -4.12582071 -2.94038931 -11.16502726 -11.24489696 -2.52218413 -10.07651634 -5.5122385 -2.97710754 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.9719999999E-8 6.6449999999E-8 1.486E-7 3.3219999999E-7 7.429E-7 0.0000016609999999 0.000003714 0.0000083059999999 0.00001857 0.00004153 0.00009286 79-34-5 6591 144207272 A Ac 1,1,2,2-Tetrachloroethane ClC(Cl)C(Cl)Cl Tox21_200074 -NCGC00257618-01 196702566 tox21-ror-cho-viability-p1 set1 4 0.1335209461 -7.169399652 -2 -9.169399652 0.8999999999 0.3939674219 0.2789008095 2.98483098 -7.88102264 -5.89860147 -0.70168024 -3.83927073 1.29032169 -10.81777177 -7.32594881 -5.38708259 -9.82313692 -8.78506102 -6.82146561 -12.22449971 -7.87697991 -7.68374027 1.156E-9 2.585E-9 5.781E-9 1.293E-8 2.8899999999E-8 6.463E-8 1.4449999999E-7 3.231E-7 7.226E-7 0.000001616 0.000003613 0.000008079 0.000018059999999 0.00004039 0.000090319999999 9005-67-8 22833389 144207262 D A Polysorbate 60 OCCO[C@H]1CO[C@@H]([C@@H]1OCCO)[C@H](O)COC(=O)CCCCCCCCCCC Tox21_200064 -NCGC00258011-01 196702568 tox21-ror-cho-viability-p1 set1 4 26.3922308633 -9.192131876 1 -8.192131876 4.9549173134 0.68827325 0.0547262203 -0.63177494 -0.03623177 -0.11953568 -1.30361217 1.41135274 1.67285581 2.03461768 0.84225883 4.04324898 0.12700444 -0.51715393 2.86116509 -0.37543882 -7.24344323 -0.66578053 1.1469999999E-9 2.564E-9 5.734E-9 1.282E-8 2.867E-8 6.411E-8 1.434E-7 3.205E-7 7.168E-7 0.000001603 0.000003584 0.0000080139999999 0.00001792 0.00004007 0.00008959 2687-25-4 17593 144207655 A D 2,3-Diaminotoluene Cc1cccc(N)c1N Tox21_200457 -NCGC00357041-01 196702965 tox21-ror-cho-viability-p1 set1 4 5.24611447 0.55763782 -0.24510425 3.78865782 6.95784302 2.63992429 1.38237696 -0.71830752 -2.90094396 1.84400786 1.35460624 -0.10163293 1.47181852 6.79625877 5.36585937 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2680-03-7 17587 251919893 A N,N-Dimethylacrylamide CN(C)C(=O)C=C Tox21_303732 -NCGC00260346-01 196702969 tox21-ror-cho-viability-p1 set1 -3 69.1480167938 -41.0866305398 0 -41.0866305398 4.9549173134 0.8567991743 0.0018210495 0.20953457 -3.23146007 -3.33784564 6.41118372 -3.49027778 -5.76996359 -2.83848804 0.01183694 3.76029443 -0.46220664 4.8917082 3.70815409 1.01882891 -1.01417277 -33.40208773 1.188E-9 2.657E-9 5.942E-9 1.3289999999E-8 2.971E-8 6.6429999999E-8 1.4849999999E-7 3.321E-7 7.427E-7 0.0000016609999999 0.000003714 0.000008304 0.00001857 0.00004152 0.00009284 1210-39-5 71027 144209998 A A 2-Propenal,3,3-diphenyl- O=C\C=C(/c1ccccc1)c2ccccc2 Tox21_202800 -NCGC00091902-08 196703377 tox21-ror-cho-viability-p1 set1 4 -2.01762856 1.0481298 0.07686125 -1.45806544 1.09193659 -5.12047016 -3.80964999 -0.47838448 0.86354093 -1.80697781 0.80632546 -3.52407035 -0.07557397 1.02605959 -4.36493282 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00260066-01 196703796 tox21-ror-cho-viability-p1 set1 4 3.34572297 1.68462301 -1.30864081 0.10274433 1.49921484 1.31687388 1.24997337 -0.11277985 0.67517135 0.24177905 4.1959634 7.64612576 0.88727105 1.58525117 0.27431262 1.208E-9 2.7009999999E-9 6.0389999999E-9 1.3499999999E-8 3.02E-8 6.752E-8 1.51E-7 3.376E-7 7.549E-7 0.0000016879999999 0.000003775 0.0000084399999999 0.00001887 0.0000422 0.00009436 107-22-2 7860 144209715 FC Glyoxal O=CC=O Tox21_202517 -NCGC00163771-03 196699260 tox21-ror-cho-viability-p1 set1 4 1.25866531 1.16142826 1.55683825 0.52260466 1.64560711 0.0830285 0.19767154 0.86958436 3.41133581 1.68227329 -0.31878082 -0.19802642 3.38585202 -0.50277802 1.74727642 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00255078-01 196699250 tox21-ror-cho-viability-p1 set1 4 5.4427271877 5.559023456 -1.559023456 4 4.9549173134 0.5416406942 0.1443399677 -0.54717607 -3.84293768 0.9991384 -0.92213797 -0.20469293 -1.20351406 -0.43912175 -0.10832156 -0.57129052 -6.71585288 -1.57407785 3.96588022 3.90587481 0.57677571 7.32646537 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 110-38-3 8048 144211497 A F Ethyl decanoate O=C(CCCCCCCCC)OCC Tox21_301180 -NCGC00259941-01 196709469 tox21-ror-cho-viability-p1 set2 4 -0.26531822 1.14051463 4.72552952 0.52231411 1.76190548 3.53068868 5.07874274 2.0510995 3.24682095 3.65912141 -0.626952 0.90388492 8.00752278 1.09661973 -0.87029449 1.154E-9 2.5809999999E-9 5.772E-9 1.291E-8 2.886E-8 6.453E-8 1.443E-7 3.227E-7 7.215E-7 0.0000016129999999 0.000003608 0.000008067 0.000018039999999 0.000040329999999 0.000090189999999 2227-13-6 16685 144209590 A Ac Tetrasul Clc2cc(Sc1ccc(Cl)cc1)c(Cl)cc2Cl Tox21_202392 -NCGC00259809-01 196708651 tox21-ror-cho-viability-p1 set2 4 1.36716481 2.23998451 -0.58879237 -0.98372315 0.61158785 0.6619633 2.23323802 0.69578236 -0.03239051 2.09531726 0.61622781 2.1989532 2.34629094 1.53287752 -6.49232955 1.208E-9 2.7009999999E-9 6.04E-9 1.3509999999E-8 3.02E-8 6.753E-8 1.51E-7 3.3769999999E-7 7.55E-7 0.0000016879999999 0.000003775 0.000008441 0.00001888 0.00004221 0.000094379999999 3452-97-9 18938 144209458 A A 3,5,5-Trimethyl-1-hexanol CC(C)(C)CC(C)CCO Tox21_202260 -NCGC00259204-01 196709051 tox21-ror-cho-viability-p1 set2 4 3.36036439 1.23221968 1.90041972 0.60810412 0.7966411 1.41299216 -0.24375673 1.95646369 0.24201284 2.13584545 0.95098932 1.60454704 0.24341323 2.43196521 0.56727283 1.163E-9 2.5999999999E-9 5.813E-9 1.2999999999E-8 2.9069999999E-8 6.499E-8 1.453E-7 3.25E-7 7.266E-7 0.000001625 0.0000036329999999 0.000008124 0.00001817 0.000040619999999 0.00009083 7481-89-2 24066 144208853 A A 2',3'-Dideoxycytidine NC1=NC(=O)N(C=C1)[C@H]2CC[C@@H](CO)O2 Tox21_201655 -NCGC00258880-01 196709466 tox21-ror-cho-viability-p1 set2 4 0.25070791 1.48360831 -0.06198064 -0.31054238 3.68013957 4.1519739 -0.51952469 2.41051837 2.2987397 3.50311029 1.47961863 3.53345935 3.38884357 1.73130235 1.76404232 1.163E-9 2.5999999999E-9 5.813E-9 1.2999999999E-8 2.9069999999E-8 6.499E-8 1.453E-7 3.25E-7 7.266E-7 0.000001625 0.0000036329999999 0.000008124 0.00001817 0.000040619999999 0.00009083 1498-51-7 15158 144208526 A F Ethyl dichlorophosphate ClP(Cl)(=O)OCC Tox21_201328 -NCGC00163724-03 196709474 tox21-ror-cho-viability-p1 set2 4 48.5577336745 -13.5638783559 -0.5 -14.0638783559 2.3331733767 0.8582636646 0.001780923 0.13555278 -1.20960024 -0.11204618 -3.69421059 -1.21287476 -1.33235182 0.99175097 -0.00642453 -0.94638581 1.31698185 -0.25854939 1.18582736 -2.42524188 -5.80888986 -11.71989863 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00259314-01 196709476 tox21-ror-cho-viability-p1 set2 4 54.4272718766 -15.88390924 5 -10.88390924 1.98874246 0.4942442637 0.1842691982 7.22035553 5.31701641 12.02736594 9.85567451 5.39148628 0.84933496 1.73704152 5.89553355 -1.18693886 5.91136094 1.46924648 6.39527442 1.88666408 -0.03718366 -7.4032577 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.00004119 0.000092099999999 607-57-8 11831 144208963 A A 2-Nitrofluorene [O-][N+](=O)c1ccc2c3ccccc3Cc2c1 Tox21_201765 -NCGC00255789-01 196710303 tox21-ror-cho-viability-p1 set2 4 -9.43365247 -9.32245065 -9.37694319 -11.3671481 -9.48438127 -8.82981735 -14.01491648 -18.67353511 0.25549344 -8.56010659 -6.67626203 -7.09941039 -9.88846184 -11.4403667 -20.10042219 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13301-61-6 83322 144212542 A A C.I. Disperse Orange 37 Clc2cc(cc(Cl)c2/N=N/c1ccc(cc1)N(CC)CCC#N)[N+]([O-])=O Tox21_302225 -NCGC00256228-01 196710309 tox21-ror-cho-viability-p1 set2 4 5.32721142 0.01482755 2.27097087 1.72495892 -0.04342952 5.04122975 -0.39372791 1.26698447 1.31174637 4.49672707 0.77541456 0.69178668 -0.65158018 1.84234345 4.15982285 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2896-70-0 520789 144211586 A A (2,2,6,6-Tetramethyl-4-oxopiperidin-1-yl)oxidanyl [O]N(C(C)(C)C1)C(C)(C)CC1=O Tox21_301269 -NCGC00256765-01 196707832 tox21-ror-cho-viability-p1 set1 4 0.097981984 5.792945848 -2.792945848 3 2.5334283767 0.3898329248 0.2827971289 1.9723236 0.35646527 -1.43776179 -8.41176943 -8.99412154 0.16205444 -0.44978116 2.58849345 2.58430318 2.44107871 0.10591007 0.66440184 1.17988757 3.45293565 9.20663492 8.115E-10 1.8149999999E-9 4.0569999999E-9 9.073E-9 2.029E-8 4.536E-8 1.014E-7 2.268E-7 5.072E-7 0.0000011339999999 0.000002536 0.00000567 0.000012679999999 0.00002835 0.0000634 9016-87-9 7570 144212902 F Fns Polymethylene polyphenyl isocynate O=C=N/c1ccc(cc1)Cc2ccc(/N=C=O)cc2 Tox21_302585 -NCGC00257236-01 196707416 tox21-ror-cho-viability-p1 set1 4 -2.57646163 -4.12670103 -3.88218378 -2.8384931 -5.96746644 -0.5014882 -2.67686974 -2.06568857 9.01404921 -0.96744824 -0.83728637 -1.3874579 -6.17017581 0.52016705 0.73730584 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 769-92-6 69861 144213670 A Ac 4-tert-Butylaniline CC(C)(C)c1ccc(N)cc1 Tox21_303353 -NCGC00244579-01 196707421 tox21-ror-cho-viability-p1 set1 -2.2 61.130564862 -44.7473886944 -4.87643803 -49.6238267244 3.9294729863 0.9502514956 0.0000081991 -1.51137433 -9.06344258 -7.19166619 -8.43250203 -4.1903314 -3.69586918 -1.72678945 -3.2655905 -3.56904277 -6.20147651 -6.58323922 -4.79548435 -4.63840526 -12.33326615 -42.13926267 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00256769-01 196707424 tox21-ror-cho-viability-p1 set1 4 -0.59216783 1.39530156 0.12700756 1.22403829 -1.01055549 -1.22380587 1.59053358 0.26845862 -0.7509977 1.8932285 0.31231199 -0.32470243 0.14433116 -1.00397419 -1.03889682 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-31-2 8175 144212973 F F Decanal CCCCCCCCCC=O Tox21_302656 -NCGC00257130-01 196707836 tox21-ror-cho-viability-p1 set1 4 5.23621046 -2.20410707 0.43290455 3.56489398 3.37860761 0.8869391 7.14806735 -0.07454174 8.52025363 3.93431551 11.64941857 3.54717456 4.87412884 -1.24607561 6.0677797 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 694-83-7 4610 144213537 F Ac 1,2-Cyclohexanediamine NC1CCCCC1N Tox21_303220 -NCGC00015675-08 196719792 tox21-ror-cho-viability-p1 set3 4 3.0637858693 -6.930608112 0 -6.930608112 4.9549173134 0.4293208627 0.2617246273 -1.66857882 -6.87887632 2.18435992 2.10176848 -1.71686117 2.20854563 3.26567967 -7.32077406 3.67147877 2.30272627 -5.80905682 -8.21121598 -4.59783503 -8.27550676 3.4053786 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00256547-01 196719369 tox21-ror-cho-viability-p1 set2 4 1.72854446 3.91511461 1.4603116 2.59787963 0.63790843 5.6339949 2.71588385 6.24418215 3.70945685 2.43579668 5.30032855 0.03453546 -0.16993138 4.25173574 0.55202849 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 544-63-8 11005 144213098 A A Tetradecanoic acid O=C(O)CCCCCCCCCCCCC Tox21_302781 -NCGC00256917-01 196719379 tox21-ror-cho-viability-p1 set2 3 76.9588215421 43.3536534249 -2.755739898 40.5979135269 4.9549173134 0.5587343064 0.1280366017 -0.86139611 0.93526536 -0.25096019 0.10676828 -1.24056241 -0.12747948 -0.11634212 0.47007576 3.81939621 3.04844233 0.10134712 -4.398803 -20.9773197 -20.71355928 33.74615944 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2274-11-5 75282 144212894 F A Ethylene acrylate O=C(C=C)OCCOC(=O)C=C Tox21_302577 -NCGC00257450-01 196719388 tox21-ror-cho-viability-p1 set2 4 0.27852582 0.24954919 0.0945531 0.46851671 2.04585497 4.17955353 3.42947645 6.5733123 5.15427815 3.10803567 8.071859 0.40085908 3.79441018 0.81204888 0.26516463 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6375-47-9 80779 144213738 A A N-(3-Amino-4-methoxyphenyl)acetamide Nc1cc(ccc1OC)NC(C)=O Tox21_303427 -NCGC00253937-01 196719806 tox21-ror-cho-viability-p1 set3 4 0.0121847484 17.452509576 -16.952509576 0.5 0.5 0.7991193656 0.0081639008 -11.93858004 -15.79375798 -6.52420754 -5.17044403 -8.64241897 -8.30267163 -2.80179027 -0.19532187 0.65579015 -1.44117839 -0.938043 -2.41355955 -0.30192914 0.06694418 1.69094504 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 112-34-5 8177 144210404 A A 2-(2-Butoxyethoxy)ethanol CCCCOCCOCCO Tox21_300084 -NCGC00254112-01 196719807 tox21-ror-cho-viability-p1 set3 4 -4.67636458 0.69910208 5.44643327 -6.96782397 7.70095099 7.09883211 9.60000849 2.37427326 -4.8545221 -2.91385648 2.84669865 4.94787246 2.77357623 -1.97900753 3.43129405 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.00001889 0.00004225 0.00009447 65-85-0 243 144210500 A A Benzoic acid O=C(O)c1ccccc1 Tox21_300180 -NCGC00254607-01 196720243 tox21-ror-cho-viability-p1 set3 -2.4 8.6349217992 -18.032478052 -3.555754128 -21.58823218 3.0654483358 0.8876376069 0.0005750432 -4.21116352 -6.49700479 -1.54877382 -6.16470963 -2.0277228 -0.46312844 -7.87369007 -0.76016676 -4.26505372 -1.23851901 -4.94525868 -10.8565641 -23.40686015 -23.10984889 -17.77017713 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-41-3 7652 144211016 A Ac Benzyl cinnamate O=C(OCc1ccccc1)C=Cc2ccccc2 Tox21_300699 -NCGC00253979-01 196720236 tox21-ror-cho-viability-p1 set3 4 1.9331181962 -7.5106119039 -1 -8.5106119039 4.9549173134 0.3656366946 0.305080185 -2.64550437 -7.57849154 1.53601153 1.18195241 -0.21568624 -0.80155169 -7.32965345 3.4860103 3.48812722 -1.78662608 -14.0076709 -1.67616527 -2.77051841 -16.67550992 -7.94453079 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-62-3 8063 144210381 D Pentanal CCCCC=O Tox21_300061 -NCGC00254502-01 196720237 tox21-ror-cho-viability-p1 set3 4 61.130564862 -21.2128458159 4.5 -16.7128458159 2.9522712143 0.3432561864 0.3261754145 4.94108164 4.45147966 6.66151135 -1.61753504 -1.93610411 -3.5111594 12.48087518 -5.72733876 10.12789578 12.26405127 12.45830141 3.00762467 1.29867192 0.0720693 -11.84403818 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 249296-43-3 9935274 144210756 A A CJ-013610 O=C(N)C1(CCOCC1)c4cccc(Sc2ccc(cc2)n3ccnc3C)c4.CS(=O)(=O)O Tox21_300438 -NCGC00254736-01 196720240 tox21-ror-cho-viability-p1 set3 4 7.6006892 9.02053168 -2.41256849 2.32720812 -4.55612582 10.32075478 9.92030845 -2.39475543 -2.39278439 5.85465388 4.24720328 3.92951064 6.49428001 2.54133071 2.04884113 1.252E-9 2.7989999999E-9 6.258E-9 1.399E-8 3.129E-8 6.997E-8 1.565E-7 3.499E-7 7.823E-7 0.000001749 0.000003912 0.000008746 0.00001956 0.000043729999999 0.00009779 68169-03-9 3058839 144211149 A Fc (Dicyclopentadienyloxy)ethyl methacrylate C=C(C)C(=O)OCCOC3CC1CC3C2C=CCC12 Tox21_300832 -NCGC00254726-01 196720645 tox21-ror-cho-viability-p1 set3 4 -51.52218582 -7.06035351 -7.82031955 1.27206452 -5.64936162 -1.98769661 -0.4509952 -3.87854056 -3.56189015 17.0101514 17.35739094 -6.87912579 -6.43273751 8.67728149 4.36347476 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117718-60-2 91776 144211139 A A Thiazopyr CC(C)Cc1c(c(nc(C(F)F)c1C(=O)OC)C(F)(F)F)C2=NCCS2 Tox21_300822 -NCGC00254215-01 196720647 tox21-ror-cho-viability-p1 set3 4 1.3685428777 8.976399992 1.523600008 10.5 2.7202212143 0.4219519792 0.2508761965 3.94420934 -3.00362017 5.88759486 3.00531264 9.01199878 3.3210257 -6.88787047 2.33204793 -7.06366666 13.62144943 6.79489166 12.46942967 12.27318132 6.85782554 10.81849587 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-76-7 7720 144210339 A Ac 2-Ethyl-1-hexanol CCC(CCCC)CO Tox21_300019 -NCGC00260393-01 196724524 tox21-ror-cho-viability-p1 set3 4 0.0123834452 14.956127404 -13.956127404 1 1.3987170999 0.9325721144 0.0000425897 -14.13010617 -11.88469602 -9.51318979 -7.30446673 -2.14476619 -0.90589435 1.46446955 1.12489317 2.47070609 1.37495897 3.36801015 0.82839981 1.87425486 0.37452201 -3.07752122 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.679E-8 1.494E-7 3.34E-7 7.468E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004175 0.000093349999999 56-18-8 5942 144210045 Z Z Iminobis-3-propylamine NCCCNCCCN Tox21_202847 -NCGC00260211-01 196724514 tox21-ror-cho-viability-p1 set3 4 69.2877332643 12.5862929919 -1.0862929919 11.5 4.9549173134 0.3978431239 0.2755050037 -5.90524416 -0.95654947 -2.01698064 -5.62970957 5.57251595 -1.74155755 4.4290306 -2.40454902 -2.68092842 -1.10729306 1.34340423 1.74102274 -1.60164304 -0.09191175 9.06935284 1.19E-9 2.661E-9 5.95E-9 1.331E-8 2.975E-8 6.653E-8 1.4879999999E-7 3.326E-7 7.438E-7 0.000001663 0.000003719 0.000008316 0.00001859 0.00004158 0.00009297 886439-34-5 60196382 144209861 FNS 1-Butyl-1-methylpiperidinium tetrafluoroborate F[B-](F)(F)F.C[N+]1(CCCC)CCCCC1 Tox21_202663 -NCGC00260493-01 196724517 tox21-ror-cho-viability-p1 set3 -2.2 27.2782538257 -44.8761802088 -3.200501068 -48.0766812768 0.7 0.7857617516 0.0105521208 -5.67104599 2.14011975 0.54063484 5.58328244 -3.02691062 -14.24211112 -9.17937667 -5.79938553 -15.09602923 -6.01797445 -4.45777938 -17.29580326 -26.85334517 -27.0382559 -36.42172824 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.000001648 0.000003684 0.000008238 0.00001842 0.00004119 0.000092099999999 82-86-0 6724 144210145 A A Acenaphthenequinone O=C3c2cccc1cccc(c12)C3=O Tox21_202947 -NCGC00260503-01 196724520 tox21-ror-cho-viability-p1 set3 4 76.9588215421 -17.12072498 -0.5 -17.62072498 4.9549173134 0.4643562825 0.2115501412 -4.53104922 5.17744899 3.47265568 5.29711222 -3.72856972 1.14537403 -0.28545979 -2.28187565 -0.53102039 -8.17863746 0.64424323 -2.41066048 -2.38502529 0.70913864 -13.85060415 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.299E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.00001844 0.00004124 0.00009222 2735-04-8 17652 144210155 A A 2,4-Dimethoxyaniline Nc1ccc(cc1OC)OC Tox21_202957 -NCGC00091011-05 196724525 tox21-ror-cho-viability-p1 set3 1.1 15.3553036427 88.5461260188 -2.6187398265 85.9273861923 1.34431 0.9878151784 2.6E-9 -5.35705507 -2.09621091 -1.15842811 -5.91619978 -3.13985685 -5.14068848 -1.85199723 1.10686569 0.13318541 4.47189749 8.86432317 24.45350068 43.34254221 74.46980203 74.16203972 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56-75-7 5959 144214022 A A Chloramphenicol O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl Tox21_400061 -NCGC00258346-01 196730000 tox21-ror-cho-viability-p1 set3 4 0.63175236 -0.43347748 1.76311235 0.16726576 0.50826486 2.248798 1.79352437 -0.83974042 1.27274464 2.10444054 1.52263832 0.32231292 -0.60796129 -1.29872647 0.2346192 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.9369999999E-8 6.568E-8 1.469E-7 3.284E-7 7.3429999999E-7 0.000001642 0.000003672 0.00000821 0.000018359999999 0.000041049999999 0.00009179 996-35-0 70452 144207990 FNS Dimethylisopropylamine CC(C)N(C)C Tox21_200792 -NCGC00257940-01 196729982 tox21-ror-cho-viability-p1 set3 4 1.06456277 -1.37430919 2.58076799 -0.0716505 1.06447905 0.27967004 -1.61684266 2.52055737 3.33176401 3.39175829 2.22338654 0.4890876 3.76257384 2.31413187 5.13537968 1.159E-9 2.591E-9 5.793E-9 1.2949999999E-8 2.8969999999E-8 6.4769999999E-8 1.448E-7 3.238E-7 7.241E-7 0.0000016189999999 0.0000036209999999 0.000008096 0.0000181 0.000040479999999 0.00009052 99-09-2 7423 144207584 A A 3-Nitroaniline O=[N+]([O-])c1cccc(N)c1 Tox21_200386 -NCGC00257835-01 196729989 tox21-ror-cho-viability-p1 set3 4 12.3710109754 10.7737205599 -0.7737205599 10 2.4063783767 0.6791426439 0.0484118062 0.4745744 -1.05410433 0.56038999 -1.01518796 -0.13100607 -0.48243789 -6.0614338 1.98998328 2.20878894 2.79549968 -5.77938269 2.2653818 8.6302217 9.24209068 8.68220395 1.194E-9 2.671E-9 5.9709999999E-9 1.335E-8 2.986E-8 6.676E-8 1.493E-7 3.338E-7 7.464E-7 0.000001669 0.000003732 0.000008345 0.00001866 0.000041729999999 0.000093299999999 110-03-2 8031 144207479 A A 2,5-Dimethylhexane-2,5-diol CC(O)(C)CCC(C)(C)O Tox21_200281 -NCGC00258611-01 196729997 tox21-ror-cho-viability-p1 set3 4 -0.49053915 1.88229326 1.53663809 0.59636683 0.24333674 0.44725728 1.10793871 0.16237317 1.23766741 7.7759881 2.79713601 -0.47725727 -0.79710722 1.82883494 0.69337972 1.155E-9 2.583E-9 5.776E-9 1.291E-8 2.8879999999E-8 6.457E-8 1.444E-7 3.229E-7 7.2199999999E-7 0.000001614 0.0000036099999999 0.0000080719999999 0.000018049999999 0.00004036 0.000090239999999 545-06-2 11011 144208256 Trichloroacetonitrile ClC(Cl)(Cl)C#N Tox21_201058 -NCGC00258003-01 196730003 tox21-ror-cho-viability-p1 set3 4 -5.64335876 1.76798603 -6.94149322 -0.05660957 -0.65133337 -0.19963127 0.45477809 1.7199146 -0.20771263 1.84638248 1.87215585 0.31387896 -2.31594014 -2.60278808 -0.11060352 1.1389999999E-9 2.5469999999E-9 5.6959999999E-9 1.2739999999E-8 2.8479999999E-8 6.368E-8 1.424E-7 3.184E-7 7.1199999999E-7 0.000001592 0.00000356 0.00000796 0.0000178 0.0000398 0.000089 617-94-7 12053 144207647 A A 2-Phenylpropan-2-ol CC(O)(C)c1ccccc1 Tox21_200449 -NCGC00257982-01 196730397 tox21-ror-cho-viability-p1 set3 4 -0.27205829 0.48327322 -0.97705694 0.50616296 -3.76792112 -0.40313348 0.78350536 2.12742824 1.88817138 2.49305273 0.20797549 0.03863862 -0.66880896 -1.87426997 -1.14590953 1.19E-9 2.661E-9 5.95E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003719 0.000008315 0.00001859 0.00004157 0.000092959999999 88-51-7 6935 144207626 A A 2-Amino-4-chloro-5-methylbenzenesulfonic acid Cc1cc(c(N)cc1Cl)S(=O)(=O)O Tox21_200428 -NCGC00258386-01 196730410 tox21-ror-cho-viability-p1 set3 4 -1.78617137 -0.78886862 -0.28699389 0.44589982 0.62464862 1.25746542 1.51740224 0.17640577 -0.88911811 0.42797237 0.65706227 1.9282085 0.88484418 2.49897163 2.24920773 1.1859999999E-9 2.653E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001854 0.00004145 0.00009268 622-51-5 12148 144208030 A A p-Tolylurea O=C(N)Nc1ccc(C)cc1 Tox21_200832 -NCGC00014361-08 196705065 tox21-ror-cho-viability-p1 set1 4 -5.12921711 -5.11569718 -1.46691098 -2.95198412 -1.94300827 -1.08928771 -5.33114704 -2.9218883 -5.9421846 -2.75213436 -5.78014877 -3.50167013 -1.56991897 -2.26705543 -1.48005337 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4408-78-0 546 170466274 Z Phosphonoacetic acid O=C(O)CP(=O)(O)O Tox21_110045_1 -NCGC00090997-11 196705053 tox21-ror-cho-viability-p1 set1 4 0.2814229 -0.45620493 -0.3559759 1.41982371 -0.15821274 -1.55642029 -2.12948899 -2.95401971 -2.38250472 -3.31831875 -1.57513336 -3.0167393 -1.69850827 1.39706056 -0.41940122 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62-73-7 3039 170466226 Z Dichlorvos COP(=O)(OC)O\C=C(\Cl)Cl Tox21_111052_1 -NCGC00015798-11 196705056 tox21-ror-cho-viability-p1 set1 4 0.4254971 5.06550337 3.98014832 3.86436039 3.50923313 6.30966074 3.37969608 5.02933815 3.11616408 -0.23864174 5.55610238 3.61721107 0.59183363 0.00128803 0.06141662 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5051-22-9 21138 170464682 A Dexpropranolol CC(C)NC[C@@H](O)COc2cccc1ccccc12 Tox21_110435_1 -NCGC00255560-01 196700917 tox21-ror-cho-viability-p1 set1 4 -0.10903958 1.02325172 0.59764839 1.2121499 6.51341446 1.10756225 0.75997413 3.08061507 2.8393959 5.96409909 3.92525052 0.02213978 0.50017896 9.76225252 1.07043089 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24801-88-5 90613 144212496 D 3-Isocyanatopropyltriethoxysilane CCO[Si](OCC)(OCC)CCC\N=C=O Tox21_302179 -NCGC00255666-01 196700501 tox21-ror-cho-viability-p1 set1 4 -0.77042556 -1.66342437 -1.46125279 -2.25441495 -0.95932738 -1.19967567 0.90949879 -1.07364665 -0.41206463 -0.29727846 -0.33229745 -1.78833975 1.28507177 -0.72340565 0.57671852 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6359-98-4 22842 144212581 Ac C.I. Acid Yellow 17, disodium salt [Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)/N=N/C2C(=O)N(N=C2C)c3cc(Cl)c(cc3Cl)S([O-])(=O)=O Tox21_302264 -NCGC00256046-01 196700508 tox21-ror-cho-viability-p1 set1 4 0.3437624285 7.5267967479 -5.0267967479 2.5 3.5117481694 0.5893893038 0.1052036649 -3.19807669 -4.50235787 -3.08543992 -8.05040088 -1.82961455 -2.43328854 -11.68899729 0.35650998 0.09649853 6.60216194 3.36060724 0.35756067 0.23027069 5.28527441 0.61824408 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47051 18756 144212621 F Fns Ocimene-Limonene mixture C=CC(C)=CC\C=C(\C)C Tox21_302304 -NCGC00255848-01 196700914 tox21-ror-cho-viability-p1 set1 4 -0.61828721 0.73807662 2.17681126 2.21405463 4.87453724 4.39945075 -0.06522846 4.90547829 1.17561244 2.96655937 0.88070914 2.60655276 4.77427032 4.34792545 0.79529211 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-96-4 2140 144212246 A A Diatrizoic acid O=C(C)Nc1c(I)c(c(I)c(NC(C)=O)c1I)C(=O)O Tox21_301929 -NCGC00255912-01 196701332 tox21-ror-cho-viability-p1 set1 4 43.2771256911 8.603327536 -1.603327536 7 1.0999999999 0.3753394849 0.2994393818 0.53376885 -0.07518087 0.06296013 -4.8629328 -3.84942734 0.42563198 0.50025188 -6.33610628 1.23831527 -3.74499588 1.37328372 -0.50839959 0.61134019 1.57315086 5.2161627 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1937-19-5 2734687 144212415 A Aminoguanidine hydrochloride Cl.N=C(N)NN Tox21_302098 -NCGC00091426-02 196701340 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -24.359086136 1 -23.359086136 0.5999999999 0.561366758 0.1266225297 -0.91423977 0.84845266 0.37426092 0.23165875 4.97185926 -4.76099876 1.62126079 2.92918222 0.59161995 -0.04976728 -4.43911901 -9.80796117 -5.88963489 -1.17909027 -16.13257178 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00255505-01 196701343 tox21-ror-cho-viability-p1 set1 4 0.3063785869 -7.065199344 2 -5.065199344 3.1319983358 0.4402253128 0.2341244187 -3.44926358 3.31943673 2.43543604 1.45352189 1.73671214 7.27626116 -1.59058581 0.11537014 -9.10736328 -0.87290073 -7.73392796 1.36753789 -10.88766612 -2.27119444 -6.77195586 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2100-42-7 246724 144212407 A A 2-Chloro-1,4-dimethoxybenzene COc1ccc(cc1Cl)OC Tox21_302090 -NCGC00258355-01 196701752 tox21-ror-cho-viability-p1 set1 4 3.42919114 1.23917243 1.35529415 5.26648487 0.84367194 4.04422918 7.20960438 1.6380049 6.22087308 3.27084665 -0.36619615 2.04977172 1.13293046 5.32054286 1.17014064 1.2359999999E-9 2.764E-9 6.1809999999E-9 1.382E-8 3.09E-8 6.9099999999E-8 1.545E-7 3.4549999999E-7 7.7259999999E-7 0.0000017279999999 0.000003863 0.000008638 0.000019309999999 0.00004319 0.000096569999999 106-95-6 7841 144207999 D Allyl bromide BrCC=C Tox21_200801 -NCGC00258628-01 196701753 tox21-ror-cho-viability-p1 set1 4 -3.24168364 0.03792863 0.03842614 8.35233329 1.12169368 -1.06775221 0.43561589 3.06296386 4.9832346 -0.21188097 -4.6140233 0.16540842 6.1388742 4.04245382 3.43338516 1.235E-9 2.762E-9 6.175E-9 1.381E-8 3.087E-8 6.904E-8 1.544E-7 3.452E-7 7.719E-7 0.0000017259999999 0.000003859 0.00000863 0.000019299999999 0.00004315 0.00009648 96-49-1 7303 144208273 A A 1,3-Dioxolan-2-one O=C1OCCO1 Tox21_201075 -NCGC00258144-01 196701754 tox21-ror-cho-viability-p1 set1 -2.2 24.5842154718 -46.8133826608 2.417814339 -44.3955683218 0.6999999999 0.9180574887 0.0001170748 1.65711578 2.70700429 1.00006837 6.01230979 -0.01818336 -0.18393026 0.64661207 0.71129309 1.07089476 0.2584242 -12.68459156 -16.35284359 -15.93620842 -19.15371576 -35.63140343 1.19E-9 2.661E-9 5.95E-9 1.331E-8 2.975E-8 6.653E-8 1.4879999999E-7 3.326E-7 7.438E-7 0.000001663 0.000003719 0.000008316 0.00001859 0.00004158 0.00009297 433337-23-6 12040509 144207788 A A 1-Decyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C[n+]1ccn(CCCCCCCCCC)c1 Tox21_200590 -NCGC00258917-01 196708663 tox21-ror-cho-viability-p1 set2 4 3.21126628 2.1291998 -1.3525045 2.5568739 -0.41870926 1.34158975 0.7783323 0.9148825 1.54154481 -0.02026614 -0.53402036 2.87743561 -0.05071053 -1.69519628 -0.81727755 1.2069999999E-9 2.699E-9 6.0359999999E-9 1.3499999999E-8 3.0179999999E-8 6.7479999999E-8 1.509E-7 3.3739999999E-7 7.5449999999E-7 0.000001687 0.0000037719999999 0.000008435 0.00001886 0.00004218 0.00009431 2231-57-4 2724189 144208563 Thiocarbazide NNC(=S)NN Tox21_201365 -NCGC00260217-01 196711975 tox21-ror-cho-viability-p1 set2 4 1.1571309 -0.44404738 -0.13822871 0.31660757 1.23337092 5.22590696 -0.63500836 9.41414561 4.34513797 -1.66978236 3.60511886 -0.7360918 0.23958566 6.32045296 11.10961199 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004135 0.00009247 88840-42-0 60196385 144209867 A A 1-Methyl-1-propylpiperidinium bromide [Br-].CCC[N+]1(C)CCCCC1 Tox21_202669 -NCGC00357194-01 196711977 tox21-ror-cho-viability-p1 set2 -1.2 30.6378586933 -36.9880130624 -1.215478288 -38.2034913504 4.9549173134 0.9639977208 0.0000013614 0.16768775 0.97991174 -1.49287884 -1.77021765 -2.00331215 -0.96389445 -2.88690361 2.35947939 -1.98635829 -2.74243401 -6.72914869 1.50982961 -1.4191963 -30.29310617 -39.79530349 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 612-12-4 11919 251919918 A 1,2-Bis(chloromethyl)benzene ClCc1ccccc1CCl Tox21_303964 -NCGC00259405-01 196709070 tox21-ror-cho-viability-p1 set2 4 8.55920803 0.92863099 3.87316575 -0.08017411 0.24772235 5.77743723 -30.19590129 3.83566285 3.99644737 2.47678899 4.39724009 0.06951298 -4.75749945 6.91602072 1.18301584 1.1919999999E-9 2.6659999999E-9 5.962E-9 1.333E-8 2.981E-8 6.6649999999E-8 1.49E-7 3.3329999999E-7 7.452E-7 0.0000016659999999 0.000003726 0.000008332 0.00001863 0.00004166 0.00009315 3296-90-0 18692 144209054 A Bc 2,2-Bis(bromomethyl)-1,3-propanediol OCC(CBr)(CBr)CO Tox21_201856 -NCGC00090750-04 196708670 tox21-ror-cho-viability-p1 set2 -2.4 49.1509036116 -26.3119234039 0 -26.3119234039 1.9673362061 0.9399271316 0.0000229569 1.2884994 -1.16112634 0.43660969 0.4036605 1.19132227 -0.1922957 0.93707655 1.20545233 0.68511518 0.39142547 -0.88710763 -4.81902875 -1.13248427 -11.93414729 -20.25993617 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00259989-01 196708675 tox21-ror-cho-viability-p1 set2 4 -2.19230178 -2.17746771 -0.71221631 0.63633953 -0.76678173 -2.98869016 1.51309872 -1.96893715 -3.5041034 -0.93925326 2.55578086 -0.00411002 -1.06568328 0.50482182 3.29287872 1.2169999999E-9 2.722E-9 6.087E-9 1.361E-8 3.0429999999E-8 6.8049999999E-8 1.522E-7 3.403E-7 7.608E-7 0.0000017009999999 0.0000038039999999 0.000008507 0.000019019999999 0.00004253 0.000095109999999 112-27-6 8172 144209638 A Ac Triethylene glycol OCCOCCOCCO Tox21_202440 -NCGC00091775-03 196709076 tox21-ror-cho-viability-p1 set2 4 27.3060203028 -19.775196068 1.5 -18.275196068 1.8079476909 0.8759626014 0.0009312949 5.20642558 3.46878015 0.57102427 5.89398251 0.65453785 -0.65606072 2.42499087 -0.29771669 0.9344156 -2.29414323 0.54164336 -0.32705284 -4.43296475 -12.23852556 -16.06266339 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00258972-01 196709081 tox21-ror-cho-viability-p1 set2 4 54.4272718766 -14.1880117839 2.5 -11.6880117839 2.09374246 0.6680293125 0.0546930127 -0.12600396 -0.11026464 7.1645167 2.84419381 0.84099563 3.59221138 5.76484247 1.11694552 1.86797096 0.68946272 2.11653387 2.39715964 -0.04594131 -1.62709901 -8.49000982 1.179E-9 2.6359999999E-9 5.8929999999E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.294E-7 7.367E-7 0.0000016469999999 0.0000036829999999 0.000008236 0.00001842 0.000041179999999 0.00009208 1689-84-5 15531 144208619 A A Bromoxynil Brc1cc(cc(Br)c1O)C#N Tox21_201421 -NCGC00090721-03 196709084 tox21-ror-cho-viability-p1 set2 4 -1.34849791 1.2263417 5.41587319 1.14883295 2.64557609 2.64541591 4.84445133 -1.38233904 -0.41760841 1.43389273 1.4251764 0.92838075 1.19843315 3.87742028 2.98870923 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00259642-01 196709085 tox21-ror-cho-viability-p1 set2 4 -1.78602904 -4.02213369 -2.96130897 -1.46357014 3.48860851 -0.9857932 -1.56461082 -0.37981145 -1.39962469 -1.84723522 4.31401351 3.16458867 0.28731827 2.50373088 4.27582125 1.1989999999E-9 2.6809999999E-9 5.9959999999E-9 1.3409999999E-8 2.998E-8 6.703E-8 1.4989999999E-7 3.352E-7 7.495E-7 0.000001676 0.000003747 0.0000083789999999 0.000018739999999 0.000041899999999 0.00009368 5392-40-5 8843 144209291 A I 3,7-Dimethyl-2,6-octadienal C\C(C)=C\CCC(C)=CC=O Tox21_202093 -NCGC00259342-01 196709094 tox21-ror-cho-viability-p1 set2 4 3.68970544 0.4284592 -3.24383132 1.05232058 0.84384239 0.40481858 0.9156736 3.20615565 0.8572403 -0.31362164 1.24351968 1.4592736 3.16486155 6.40280064 3.96965896 1.1999999999E-9 2.684E-9 6.001E-9 1.3419999999E-8 3E-8 6.7089999999E-8 1.5E-7 3.3539999999E-7 7.5009999999E-7 0.000001677 0.0000037499999999 0.0000083859999999 0.00001875 0.00004193 0.00009376 119-64-2 8404 144208991 A Ac Tetralin c1ccc2CCCCc2c1 Tox21_201793 -NCGC00258947-01 196709506 tox21-ror-cho-viability-p1 set2 4 0.71755372 1.39750566 0.5652263 -0.55759574 -1.96626176 2.49296219 0.94400655 1.00307008 1.72825505 2.7118917 1.90311647 -1.96959466 1.3737122 0.6765441 2.62022083 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.571E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008214 0.00001837 0.00004107 0.00009184 6375-47-9 80779 144208594 A A N-(3-Amino-4-methoxyphenyl)acetamide Nc1cc(ccc1OC)NC(C)=O Tox21_201396 -NCGC00255597-01 196710324 tox21-ror-cho-viability-p1 set2 4 0.90201739 3.24837661 1.02083365 1.16539663 3.93764548 -0.05293201 -1.99070035 2.59827272 1.83967692 2.18599802 3.01824199 2.74192058 2.54008467 -1.1052773 2.99735665 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 118-47-8 67045 144212537 A A Pyrazolone T O=S(=O)(O)c1ccc(cc1)N2N=C(CC2=O)C(=O)O Tox21_302220 -NCGC00259870-01 196721068 tox21-ror-cho-viability-p1 set3 4 31.0121236216 13.7892397399 -2.7892397399 11 2.3331733767 0.556681468 0.1304254911 -5.46015185 2.66409238 0.58960923 3.78711218 -4.5220131 -4.73278185 -5.53616075 -4.26897753 -7.32436645 -1.42858481 -4.04763054 2.61842571 -3.60600395 7.91317373 10.24268528 1.1919999999E-9 2.6649999999E-9 5.959E-9 1.332E-8 2.979E-8 6.662E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.0000016659999999 0.000003724 0.0000083279999999 0.00001862 0.00004164 0.00009311 25265-71-8 6537503 144209519 I A Dipropylene glycol CCC(O)OC(O)CC Tox21_202321 -NCGC00259063-01 196721451 tox21-ror-cho-viability-p1 set3 4 2.4733035201 5.91369984 -4.41369984 1.5 1.4780888099 0.6337766141 0.0753232008 -4.24751538 -8.6780832 -2.18211063 -1.17545998 -4.72575514 -3.35405099 -5.95756495 -5.18558873 -3.43786253 -0.55498275 -3.05936624 2.71225702 1.56659868 0.29024683 2.18426833 1.196E-9 2.6749999999E-9 5.981E-9 1.337E-8 2.9899999999E-8 6.6869999999E-8 1.4949999999E-7 3.3429999999E-7 7.476E-7 0.0000016719999999 0.0000037379999999 0.000008358 0.00001869 0.00004179 0.00009345 461-58-5 10005 144208711 Cyanoguanidine N=C(N)NC#N Tox21_201513 -NCGC00259619-01 196721058 tox21-ror-cho-viability-p1 set3 -2.1 61.0684034629 -112.5414631647 -3.451783668 -115.9932468327 3.1924983358 0.991081054 4E-10 -2.6893188 -5.72397796 -4.58683408 -2.92978296 -3.48206015 -1.73769468 -3.32628114 -7.07475058 -4.15342472 2.01923474 -3.50386564 -7.08817531 -7.04801198 -27.47297439 -92.49860194 1.179E-9 2.6359999999E-9 5.8929999999E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.294E-7 7.367E-7 0.0000016469999999 0.0000036829999999 0.000008236 0.00001842 0.000041179999999 0.00009208 54965-24-1 2733525 144209268 A A Tamoxifen citrate O=C(O)C(O)(CC(=O)O)CC(=O)O.CN(C)CCOc1ccc(cc1)/C(c2ccccc2)=C(/CC)c3ccccc3 Tox21_202070 -NCGC00259050-01 196721067 tox21-ror-cho-viability-p1 set3 4 15.5428804468 11.735058564 -3.235058564 8.5 4.9549173134 0.8054964805 0.0071321404 -3.25036365 -4.11066788 -0.17478529 -1.49023612 -2.25445119 -1.40094943 -6.36409262 -8.52921547 -4.17147501 -2.08192559 -0.86984123 -4.91458829 5.39809345 9.59021844 7.73333424 1.1919999999E-9 2.6649999999E-9 5.959E-9 1.332E-8 2.979E-8 6.662E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.0000016659999999 0.000003724 0.0000083279999999 0.00001862 0.00004164 0.00009311 1122-62-9 14286 144208697 A Ac 2-Acetylpyridine CC(=O)c1ccccn1 Tox21_201499 -NCGC00258978-01 196721465 tox21-ror-cho-viability-p1 set3 4 29.8295684646 9.5487445719 -4.0487445719 5.5 4.9549173134 0.4663688661 0.2101286864 -3.47568427 -3.67655498 -1.52796599 5.43615228 -4.15225265 -5.45173315 -8.37395381 -3.77433237 -6.31291539 -2.34137498 -6.7878628 -3.43132212 -5.80370878 4.93090386 4.65196114 1.154E-9 2.579E-9 5.7679999999E-9 1.29E-8 2.884E-8 6.4479999999E-8 1.4419999999E-7 3.224E-7 7.21E-7 0.000001612 0.000003605 0.000008061 0.00001802 0.0000403 0.00009012 106-93-4 7839 144208625 AC F 1,2-Dibromoethane BrCCBr Tox21_201427 -NCGC00163724-03 196721471 tox21-ror-cho-viability-p1 set3 4 -3.76338259 -3.01897544 -4.13083599 4.84873941 -7.72945224 -7.78210064 -4.60096632 -7.46804688 -8.91654888 -2.82409204 -3.6205994 -6.68259659 -5.06067953 -1.99666616 -3.27080007 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00260009-01 196721854 tox21-ror-cho-viability-p1 set3 4 -5.11948303 -8.45278184 -4.49540405 -1.89086913 -4.93655495 0.8552686 -3.52953303 -8.37519412 -1.67395638 -1.97618865 -6.58960464 -6.36288395 -4.97564292 -1.96343052 -5.32743007 1.211E-9 2.7079999999E-9 6.0549999999E-9 1.3539999999E-8 3.028E-8 6.7699999999E-8 1.514E-7 3.385E-7 7.569E-7 0.0000016919999999 0.0000037849999999 0.000008462 0.00001892 0.00004231 0.000094609999999 504-88-1 1678 144209658 A A 3-Nitropropionic acid [O-][N+](=O)CCC(=O)O Tox21_202460 -NCGC00259567-01 196722253 tox21-ror-cho-viability-p1 set3 4 -3.98034877 0.34606803 -2.87430414 -1.44510722 1.00723967 -4.95982267 -5.96237936 -4.82264536 -0.34457852 -3.27126842 -5.32677915 -0.18077035 -3.29293146 -0.39180084 -1.5724594 1.1509999999E-9 2.575E-9 5.757E-9 1.2869999999E-8 2.879E-8 6.437E-8 1.4389999999E-7 3.218E-7 7.197E-7 0.000001609 0.0000035979999999 0.0000080459999999 0.00001799 0.000040229999999 0.000089959999999 1570-64-5 14855 144209216 A A 4-Chloro-2-methylphenol Cc1cc(Cl)ccc1O Tox21_202018 -NCGC00015675-08 196722258 tox21-ror-cho-viability-p1 set3 4 -4.44691223 -4.81292727 -6.97681018 -2.93661987 -3.18575152 -4.81242268 -4.23983172 -4.95387652 -4.8002456 0.02925811 -4.81148982 -5.33026541 -3.24667756 0.18125285 -2.06526876 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00259664-01 196722263 tox21-ror-cho-viability-p1 set3 4 16.01726584 9.57133464 13.7876193 14.91572002 15.8992343 15.12605821 13.98653645 14.58392029 16.00262145 7.54802103 11.72570902 18.04002043 15.77306079 14.02107115 10.61985717 1.202E-9 2.6889999999E-9 6.0119999999E-9 1.344E-8 3.006E-8 6.722E-8 1.503E-7 3.361E-7 7.516E-7 0.0000016809999999 0.000003758 0.000008403 0.000018789999999 0.00004201 0.00009394 95-76-1 7257 144209313 A A 3,4-Dichloroaniline Nc1cc(Cl)c(Cl)cc1 Tox21_202115 -NCGC00090789-02 196722276 tox21-ror-cho-viability-p1 set3 4 13.6854287769 14.4162164719 -7.4162164719 7 0.7999999999 0.5324965515 0.1503562484 -11.85479244 -2.15469949 -2.64077052 -8.45768154 -5.00238305 -14.09684706 -9.77326374 -4.48636274 -8.44857029 -1.95856546 -2.43279061 0.19071521 -6.23813539 5.36205879 5.83187752 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00179542-03 196722667 tox21-ror-cho-viability-p1 set3 4 -1.61179026 1.07851057 -3.41951543 1.0451561 1.01971631 0.26717669 -2.30103599 -0.58816936 2.62061798 4.96877035 5.40262898 5.07839477 0.21589364 2.50094646 6.12909869 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 138890-62-7 68844 170464926 A Brinzolamide NS(=O)(=O)c1cc2[C@H](CN(CCCOC)S(=O)(=O)c2s1)NCC Tox21_110722_1 -NCGC00181124-02 196722666 tox21-ror-cho-viability-p1 set3 4 -2.44065589 -0.08703614 -0.91469506 1.54728692 -2.88770568 -0.42093605 -2.70391097 -0.28975837 3.62788409 0.93635695 4.68636755 0.48699963 4.35649074 2.31545631 6.32549771 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 90-39-1 644020 170465740 A Sparteine C3CCCN4C[C@@H]2C[C@@H](CN1CCCC[C@H]12)[C@@H]34 Tox21_110386_1 -NCGC00256902-01 196719237 tox21-ror-cho-viability-p1 set2 4 -0.94711816 -1.53480952 -0.7569247 2.40648807 0.71163321 -0.37146957 2.98543347 5.08906962 0.42296111 3.15011538 2.58341743 -0.30751546 0.25640415 -0.17050907 3.77275057 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 2270-60-2 61290 144212966 Ac F Methyl citronellate O=C(CC(C)CC\C=C(/C)C)OC Tox21_302649 -NCGC00090750-04 196715100 tox21-ror-cho-viability-p1 set2 4 -0.02405036 -3.35025686 -4.88980447 -4.14046953 0.60618105 -4.301895 -5.10782535 -3.08855654 -0.36897183 -0.71438694 -2.81390494 -1.0426255 -2.05739685 -3.32238732 -10.91054733 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00253950-01 196714672 tox21-ror-cho-viability-p1 set2 -2.1 39.6626671358 -93.6989161554 -2.922386005 -96.6213021604 1.9673362061 0.9518332032 0.0000068463 -0.20522919 1.05697249 2.23802508 -2.71959936 -3.62916479 -2.81042101 -3.13488992 1.82644235 -1.8435728 -12.58816556 -11.76523531 -8.92196575 -7.5890434 -46.48431792 -76.98583497 9.969E-10 2.229E-9 4.9839999999E-9 1.1149999999E-8 2.492E-8 5.573E-8 1.246E-7 2.786E-7 6.23E-7 0.000001393 0.000003115 0.000006966 0.00001558 0.00003483 0.000077879999999 221671-62-1 60196406 144210568 A F SR146131 trifluoroacetate (1:1) O=C(Nc3nc(c1cc(OC)c(Cl)cc1OC)c(CCC2CCCCC2)s3)c5cc4cc(C)cc(C)c4n5CC(=O)O.FC(F)(F)C(=O)O Tox21_300248 -NCGC00255057-01 196714684 tox21-ror-cho-viability-p1 set2 4 1.26114586 1.89809778 0.07467785 -1.91926196 -1.4543819 -2.31462632 1.31892251 0.05980708 -0.72637954 -2.380146 1.2684119 0.91111843 -1.49509382 0.81599412 -0.94826661 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 107-43-7 247 144211476 A Betaine C[N+](C)(C)CC([O-])=O Tox21_301159 -NCGC00254701-01 196715077 tox21-ror-cho-viability-p1 set2 4 0.70927304 0.96037781 0.88579627 0.31804884 -0.03286098 2.81385602 -0.4740105 -0.3352709 0.75074167 -0.52150184 0.08541623 5.87742656 5.29490469 4.7696256 3.6794169 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10258-54-5 25106 144211114 A A 2-Methoxyethyl cyanoacetate O=C(CC#N)OCCOC Tox21_300797 -NCGC00258548-01 196715494 tox21-ror-cho-viability-p1 set2 -2.2 32.7051173897 -34.8806113858 -3.5 -38.3806113858 1.5094870999 0.8969733594 0.0003742628 -8.33330772 0.13963383 -8.86948202 0.13680078 -1.88232794 -5.50897081 0.69958572 -3.82899165 -5.77741535 0.04040026 -3.82531314 -7.46542186 -14.53151818 -22.11988467 -33.66720297 1.132E-9 2.532E-9 5.661E-9 1.2659999999E-8 2.83E-8 6.3289999999E-8 1.415E-7 3.165E-7 7.076E-7 0.000001582 0.000003538 0.000007911 0.00001769 0.00003956 0.00008845 27503-81-7 33919 144208193 A A Ensulizole O=S(=O)(O)c1cc2nc(nc2cc1)c3ccccc3 Tox21_200995 -NCGC00258451-01 196715507 tox21-ror-cho-viability-p1 set2 4 25.0311222451 -12.509769328 1.5 -11.009769328 4.9549173134 0.6608903148 0.0580974556 0.70953939 1.08896944 0.06585664 -4.79482823 5.72375159 4.87524637 -1.35214158 -0.19658343 0.22719015 5.07292023 4.00242135 0.19053625 0.22340102 -13.34147444 -8.1370737 1.208E-9 2.7009999999E-9 6.0389999999E-9 1.3499999999E-8 3.02E-8 6.752E-8 1.51E-7 3.376E-7 7.549E-7 0.0000016879999999 0.0000037739999999 0.0000084399999999 0.00001887 0.0000422 0.00009436 34176-52-8 98613 144208095 C D 2-Hydrazino-4-phenylthiazole NNc1nc(cs1)c2ccccc2 Tox21_200897 -NCGC00090965-04 196728365 tox21-ror-cho-viability-p1 set3 4 4.3277125691 -11.836008024 1 -10.836008024 1.826479391 0.6271686981 0.0783984182 -5.6386895 3.76365379 -0.60671851 0.52938987 8.03504737 -6.03097478 3.0723956 3.29871516 2.73350262 1.97044829 -5.26797342 -10.55439394 -5.97742679 -9.83507864 -13.61334002 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00090942-03 196702589 tox21-ror-cho-viability-p1 set1 -2.1 68.5896218971 -81.2256445956 -5.919364564 -87.1450091596 4.9549173134 0.9115173825 0.0001733686 -9.7110275 -4.48800804 -3.01473375 -4.93657709 -9.64611078 0.93183311 2.25316218 -2.54109666 1.07617196 -14.52214046 -10.62993782 -13.03176701 -11.26259167 -10.32125622 -71.94048346 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00258213-01 196702593 tox21-ror-cho-viability-p1 set1 -2.1 67.3360061293 -72.3289999236 -6.713718418 -79.0427183416 3.9899729863 0.8731284908 0.0010289257 -8.9005363 -1.44716338 -0.91500551 -5.63406543 -9.56583847 -4.73186333 -8.35461784 -1.93897255 4.6048218 -14.92744108 -8.40547229 -13.54935607 -14.74645483 -11.98384916 -62.53236238 1.162E-9 2.5969999999E-9 5.808E-9 1.299E-8 2.9039999999E-8 6.494E-8 1.4519999999E-7 3.247E-7 7.2599999999E-7 0.000001623 0.0000036299999999 0.000008117 0.000018149999999 0.00004059 0.00009075 8001-50-1 22833294 144207857 FNS Strobane ClC2(Cl)[C@]1(Cl)C(Cl)[C@@](Cl)(C(=C)C1(C)C)C2(Cl)Cl Tox21_200659 -NCGC00091086-02 196729183 tox21-ror-cho-viability-p1 set3 4 6.1130564862 -8.110356868 0 -8.110356868 4.9549173134 0.6618228326 0.0577375728 -1.8719406 0.98331026 -3.07836009 5.32615481 -2.4356819 -0.73109857 -0.85440152 -0.93707497 1.1806652 0.32097352 1.94029986 -8.0351456 -3.88371239 -12.17529739 -8.03563511 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00255677-01 196728763 tox21-ror-cho-viability-p1 set3 4 2.01819448 2.55437236 7.61397133 0.67668807 6.01284128 -2.91042993 15.07073729 1.85335972 -1.55051913 5.75272909 -6.47966917 3.62540154 7.55514816 3.78579589 1.87980897 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 35661-60-0 1549133 144211812 A A N-(9-Fluorenylmethoxycarbonyl)-L-leucine O=C(O)[C@H](CC(C)C)NC(=O)OCC3c1ccccc1c2ccccc23 Tox21_301495 -NCGC00255692-01 196728766 tox21-ror-cho-viability-p1 set3 4 2.26546733 -9.25219015 5.99442713 4.2691684 -9.40578718 -7.41806834 12.67993065 10.81022188 -5.87520868 -4.55387131 2.82575497 12.53369597 2.64522548 11.12664338 -1.67104735 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3337-62-0 76857 144212273 A A 3,5-Dibromo-4-hydroxybenzoic acid Brc1cc(cc(Br)c1O)C(=O)O Tox21_301956 -NCGC00255600-01 196729184 tox21-ror-cho-viability-p1 set3 4 0.01618466 -2.68447532 17.60985715 0.91126517 -2.8965009 -3.54071851 -2.53796085 8.907074 -3.52550711 -1.69427951 -1.40320988 13.49080206 11.95744718 -7.14466548 6.40455358 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-88-8 23665772 144211872 Ac 7-Ethyl-2-methyl-4-undecanolsulfate, sodium salt [Na+].CC(C)CC(CCC(CCCC)CC)OS([O-])(=O)=O Tox21_301555 -NCGC00255189-01 196729197 tox21-ror-cho-viability-p1 set3 4 0.0013685429 10.583639992 -9.083639992 1.5 4.9549173134 0.4126373515 0.2628069035 -6.73636666 3.35749221 2.02244444 -1.57352646 -1.30097174 1.92418493 3.7779809 4.13318505 4.07940755 -1.72131498 4.42766926 -2.87294753 -0.0126972 1.72378379 0.82473173 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14484-47-0 189821 144211732 A A Deflazacort CC(=O)OCC(=O)[C@@]54N=C(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@H]2[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_301415 -NCGC00257908-01 196729593 tox21-ror-cho-viability-p1 set3 -2.2 30.5132723993 -40.354835128 -1 -41.354835128 0.8999999999 0.8617098595 0.0015475084 -1.55013932 -1.70959965 1.08012716 -2.35206227 -3.04409931 -2.47872521 -2.23761931 -1.9905238 1.54320553 -2.29061317 -0.88557191 -21.28244538 -13.37399988 -20.74223933 -32.79569594 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.571E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008214 0.00001837 0.00004107 0.00009184 74-31-7 6319 144207552 A N,N'-Diphenyl-p-phenylenediamine c1ccccc1Nc2ccc(cc2)Nc3ccccc3 Tox21_200354 -NCGC00258554-01 196729595 tox21-ror-cho-viability-p1 set3 1.1 2.4485085608 73.2722915536 0.686663308 73.9589548616 4.0949729863 0.996871871 0 4.36298941 -0.2093677 0.40780487 -0.61074376 0.60738364 0.45838291 -2.16786386 0.04664852 6.02602598 12.34016861 61.96621357 74.07167637 74.95113674 74.67810866 73.00557442 1.1859999999E-9 2.6519999999E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001853 0.000041439999999 0.000092669999999 563-68-8 11247 144208199 A Thallium acetate [Tl+].[O-]C(C)=O Tox21_201001 -NCGC00258670-01 196729604 tox21-ror-cho-viability-p1 set3 4 0.00733711 1.41208727 -3.89989051 -0.5239561 0.33199331 -0.73785627 -0.52390273 0.4815134 1.56719652 -3.22484455 0.19998081 0.23250761 -2.38994494 -1.55045904 2.13882345 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.354E-7 0.0000016439999999 0.0000036769999999 0.0000082219999999 0.000018379999999 0.00004111 0.00009192 137-17-7 8717 144208316 A Ac 2,4,5-Trimethylaniline Cc1cc(C)c(N)cc1C Tox21_201118 -NCGC00257876-01 196730014 tox21-ror-cho-viability-p1 set3 4 -4.20971061 0.41222373 -5.59326506 1.6700641 -4.57994731 2.62990563 -17.88031295 -4.90572037 -1.16870702 -4.42100009 0 0 -7.03033025 -9.02877509 -3.89919656 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.0000036889999999 0.000008248 0.00001844 0.00004124 0.00009222 51-44-5 5817 144207520 Ac Ac 3,4-Dichlorobenzoic acid Clc1ccc(cc1Cl)C(=O)O Tox21_200322 -NCGC00091657-02 196710355 tox21-ror-cho-viability-p1 set2 4 -6.5444416 -2.23214672 -0.51033192 -1.51029377 0.68339828 1.03535861 -2.16938979 -1.91720243 -1.29790726 -0.95702882 -1.44938754 -2.46024158 -1.92971552 0.03917706 1.26805878 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00255422-01 196709935 tox21-ror-cho-viability-p1 set2 4 68.5896218971 10.2467558599 -0.2467558599 10 4.9549173134 0.6287202755 0.079268592 -1.53143023 0.30197098 -0.15444783 -0.40850289 -4.37229655 -0.66607656 1.33071123 3.7500508 -0.93007028 0.15463301 -0.95130272 0.18501627 0.14199569 0.24289472 8.14952241 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 597-09-1 11696 144212059 A F 2-Ethyl-2-nitro-1,3-propanediol O=[N+]([O-])C(CC)(CO)CO Tox21_301742 -NCGC00256186-01 196709936 tox21-ror-cho-viability-p1 set2 4 1.51068544 3.17612507 3.07974283 4.07973325 -1.56956768 -0.74373332 3.88389765 2.82339409 4.09659593 -1.48857318 4.03778474 -1.06686311 3.29106645 4.0803028 0.98983556 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27253-33-4 60196426 144212108 F Calcium neodecanoate [Ca+2].[O-]C(=O)C(C)(CC)CCC(C)C.CC(C)CCC(C)(CC)C([O-])=O Tox21_301791 -NCGC00256148-01 196709951 tox21-ror-cho-viability-p1 set2 4 -1.29445649 2.02528995 -1.13426389 1.50728434 1.99104704 1.01030404 -0.33237423 0.35931728 2.26920099 2.23846411 2.16743859 -0.33837896 2.01476552 2.75167695 2.86509895 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3658-48-8 6327514 144211999 F A Bis(2-ethylhexyl) phosphonate CCCCC(COP(=O)OCC(CC)CCCC)CC Tox21_301682 -NCGC00255478-01 196710357 tox21-ror-cho-viability-p1 set2 4 -1.76095821 2.07081175 2.04169196 -2.34113651 -1.37428859 -1.85429791 -1.79030034 0.22171034 1.02656104 -0.96131148 -1.03968015 -3.19969643 -1.45149392 -4.66074273 -4.29085343 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3572-06-3 19137 144211948 A A 4-(4-(Acetyloxy)phenyl)-2-butanone O=C(C)Oc1ccc(cc1)CCC(C)=O Tox21_301631 -NCGC00255494-01 196710365 tox21-ror-cho-viability-p1 set2 -2.4 68.5896218971 -34.274913944 -1.5 -35.774913944 3.5722481694 0.8864170606 0.0006071078 -2.5703541 -1.4604557 0.88480427 0.50576343 -0.90875763 0.27385407 -1.53275976 -7.564252 -0.92737679 -1.49974849 -2.65654034 0.57705844 -6.09824905 -5.65664314 -26.89576162 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 31654-77-0 5365642 144212327 F Fns (9E,12Z)-9,12-Tetradecadien-1-ol acetate CC(=O)OCCCCCCCC/C=C\C\C=C\C Tox21_302010 -NCGC00090987-03 196710761 tox21-ror-cho-viability-p1 set2 4 -10.86211907 -3.30863245 -1.2663232 -2.02420633 -2.46735153 -1.61226684 -3.37324139 -10.5070787 -0.70118337 -0.73194101 -10.19453448 -2.27244064 -2.79469866 -1.61650266 -13.76940078 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00255792-01 196710767 tox21-ror-cho-viability-p1 set2 4 30.6378586933 11.2371730761 -12.00878958 -0.7716165039 4.9549173134 0.4037342564 0.2686571907 -12.72022726 -1.05968042 -12.86416315 -11.82315014 -8.12086381 -12.71696756 -13.34930315 -21.25732465 -9.8568624 -8.22916472 -14.84171236 -12.20680592 -13.82557166 -1.62848103 -1.42239645 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1497-49-0 5702667 144212419 F A N,N'-Penta-1,3-dien-1-yl-5-ylidenedianiline hydrochloride Cl.C(=C/Nc1ccccc1)\C=C\C=N\c2ccccc2 Tox21_302102 -NCGC00255754-01 196710783 tox21-ror-cho-viability-p1 set2 4 -7.55893729 -4.60551025 -3.11665256 -5.18876354 -0.35913338 -6.49884572 -2.27161838 -7.7237041 -3.85516128 -0.37232386 -4.01465016 -3.23608392 -1.30137233 -2.23853295 -1.93328957 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 628-46-6 12344 144212713 A A 5-Methylhexanoic acid CC(C)CCCC(=O)O Tox21_302396 -NCGC00255182-01 196711177 tox21-ror-cho-viability-p1 set2 4 -2.38956191 -3.96904562 -1.65885806 -6.24384588 -2.28087002 -0.23994424 -7.47073067 -8.11673799 -2.33356842 -1.05042986 -2.05964228 1.0946272 -6.10152603 -1.90082704 -3.54998948 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 35400-43-2 37125 144211675 A A Sulprofos CSc1ccc(OP(=S)(OCC)SCCC)cc1 Tox21_301358 -NCGC00256538-01 196708312 tox21-ror-cho-viability-p1 set1 4 -3.22608991 0.19894122 2.87384907 -1.29653357 -1.29213553 1.42347796 -1.13400704 2.57552408 1.99764997 0.30657275 -0.65883378 -0.02365166 4.5342304 2.37841232 -0.53346988 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 120-58-1 8439 144213263 A D Isosafrole CC=Cc1ccc2OCOc2c1 Tox21_302946 -NCGC00256777-01 196708300 tox21-ror-cho-viability-p1 set1 4 -0.98059159 1.94460929 0.93453212 1.0616246 1.62522033 -0.56780139 1.9990067 5.81555604 0.8406894 0.79316389 4.09248107 10.55348833 -0.44742142 2.04428787 6.78410694 9.9269999999E-10 2.22E-9 4.963E-9 1.11E-8 2.4819999999E-8 5.5489999999E-8 1.241E-7 2.775E-7 6.2039999999E-7 0.000001387 0.0000031019999999 0.0000069359999999 0.00001551 0.00003468 0.000077549999999 9003-11-6 10154203 144212816 F A Pluronic F-127 OCCOC(C)COCCO Tox21_302499 -NCGC00163815-04 196708308 tox21-ror-cho-viability-p1 set1 -2.2 58.1036241395 -61.9853571277 -0.077539111 -62.0628962387 3.9294729863 0.9551918872 0.0000046024 -0.14757898 2.1523291 -3.15005915 2.33709311 5.63740055 -3.72509474 5.80350002 -2.87913294 -4.52356852 0.51119688 0.28034429 -2.71262225 0.34194249 -15.33817172 -54.97189109 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.00009723 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00259367-01 196721088 tox21-ror-cho-viability-p1 set3 4 -4.83153734 -1.93319944 -7.98331523 -2.19462203 -5.54997536 -7.50813668 -8.15999481 0.3091769 -2.02889288 1.69397592 -8.04509579 -7.33385657 -9.1719637 -0.91547518 -1.31056021 1.156E-9 2.586E-9 5.7819999999E-9 1.293E-8 2.891E-8 6.465E-8 1.446E-7 3.232E-7 7.228E-7 0.000001616 0.0000036139999999 0.000008081 0.000018069999999 0.000040409999999 0.000090349999999 138-86-3 22311 144209016 FC Limonene CC1=CCC(CC1)C(C)=C Tox21_201818 -NCGC00260670-01 196721076 tox21-ror-cho-viability-p1 set3 4 -5.40797599 0.24456109 -4.32662768 -3.79401885 -0.56252728 -5.10522313 -0.6902804 -3.95896558 -4.90302572 -4.62279264 -5.69555681 -3.99106151 -3.55776393 -1.27032442 -0.46137983 1.177E-9 2.6319999999E-9 5.886E-9 1.316E-8 2.943E-8 6.5809999999E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.000003679 0.000008226 0.00001839 0.00004113 0.000091969999999 2078-54-8 4943 144208569 Z Z Propofol CC(C)c1cccc(C(C)C)c1O Tox21_201371 -NCGC00258887-01 196721095 tox21-ror-cho-viability-p1 set3 4 1.987754 -10.15968485 -10.52059138 -1.88902675 0.68297761 -12.43432144 -0.19491549 0.6154436 -0.2320603 0.74834871 0.37457725 -5.95117078 -7.82069713 -5.36288198 -1.00374436 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.96E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 111-27-3 8103 144208533 A A 1-Hexanol CCCCCCO Tox21_201335 -NCGC00258859-01 196721483 tox21-ror-cho-viability-p1 set3 4 -6.61317302 -13.30897992 -3.35287617 3.91572601 -2.54323221 -4.90926364 -8.82089516 -4.76675245 -6.66423244 2.15474621 -6.46689457 -1.75290977 -2.33146672 1.77069454 3.91901817 1.193E-9 2.6689999999E-9 5.967E-9 1.3339999999E-8 2.9839999999E-8 6.672E-8 1.4919999999E-7 3.3359999999E-7 7.4589999999E-7 0.000001668 0.00000373 0.00000834 0.00001865 0.0000417 0.00009324 2835-39-4 17816 144208505 AC Fc Allyl isovalerate CC(C)CC(=O)OCC=C Tox21_201307 -NCGC00259434-01 196721886 tox21-ror-cho-viability-p1 set3 4 30.2954503929 13.815353528 -5.815353528 8 4.9549173134 0.6753647078 0.050152681 -7.68123094 -2.22651604 -0.47704403 -4.45955091 -8.73871872 -9.04165199 -6.65931844 -11.09612794 -1.72658931 -6.13585465 -6.57862456 -2.24030965 -8.98977808 8.75651472 7.39061456 1.1689999999E-9 2.6129999999E-9 5.843E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.461E-7 3.2659999999E-7 7.3029999999E-7 0.0000016329999999 0.000003652 0.0000081649999999 0.00001826 0.000040829999999 0.00009129 143-22-6 8923 144209083 A A 2-[2-(2-Butoxyethoxy)ethoxy]ethanol OCCOCCOCCOCCCC Tox21_201885 -NCGC00259424-01 196721889 tox21-ror-cho-viability-p1 set3 4 44.1146684628 11.521844236 -6.521844236 5 2.4063783767 0.449721698 0.2258590088 -11.86127284 -4.06579859 -4.79534386 -4.76006015 -2.80942956 -7.8128288 -3.60038712 -8.03835091 -13.76820353 -6.5287199 -3.2422975 -4.48963433 -6.52362959 -0.78221276 3.44791085 1.1989999999E-9 2.68E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.701E-8 1.4979999999E-7 3.351E-7 7.492E-7 0.000001675 0.000003746 0.0000083759999999 0.00001873 0.00004188 0.00009365 2164-17-2 16562 144209073 A A Fluometuron O=C(Nc1cc(ccc1)C(F)(F)F)N(C)C Tox21_201875 -NCGC00259599-01 196721892 tox21-ror-cho-viability-p1 set3 4 42.1353853962 8.2165681079 -3.7165681079 4.5 3.5117481694 0.4311170582 0.2449570758 -5.89688673 -3.06415814 -0.3708827 2.83797807 -4.30123684 -6.84714009 -4.57717174 -2.31832825 -6.50903882 -2.09782836 -4.47970479 -3.89339024 -4.04326494 0.33389973 4.08383728 1.154E-9 2.5799999999E-9 5.7679999999E-9 1.29E-8 2.884E-8 6.449E-8 1.4419999999E-7 3.224E-7 7.21E-7 0.000001612 0.000003605 0.000008061 0.00001802 0.0000403 0.00009012 37143-54-7 123458 144209248 FNS 1-Methoxy-2-propylamine CC(N)COC Tox21_202050 -NCGC00259309-01 196721893 tox21-ror-cho-viability-p1 set3 4 21.8886121324 8.5295342679 -6.0295342679 2.5 4.9549173134 0.3251514918 0.3610878957 -5.31802971 -4.83354949 -6.61388173 3.95388895 -8.36614842 -5.18286026 -5.73093604 -7.51698858 -8.77461189 -7.24978576 -8.32902868 -7.12144028 -3.30683536 1.89292165 -3.81553181 1.189E-9 2.66E-9 5.9469999999E-9 1.3299999999E-8 2.973E-8 6.649E-8 1.487E-7 3.3239999999E-7 7.4339999999E-7 0.000001662 0.0000037169999999 0.0000083109999999 0.000018579999999 0.00004156 0.00009292 7785-26-4 440968 144208958 FNS (-)-alpha-Pinene CC2(C)[C@H]1CC=C(C)[C@@H]2C1 Tox21_201760 -NCGC00259542-01 196722285 tox21-ror-cho-viability-p1 set3 4 -4.5040994 -2.08618055 2.06818222 10.21189228 -6.60758749 -6.46050522 -5.37694161 -3.13284455 -5.56483514 -1.30756231 -3.74229671 -4.50779377 2.29912272 6.46858971 2.17697379 1.1839999999E-9 2.648E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.619E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 106-50-3 7814 144209191 A F 1,4-Benzenediamine Nc1ccc(N)cc1 Tox21_201993 -NCGC00259176-01 196722287 tox21-ror-cho-viability-p1 set3 4 0.0068589622 14.26896746 -16.26896746 -2 4.9549173134 0.5445168769 0.1400459763 -14.51048159 -17.72413955 -11.78152502 -0.9902782 -1.69892835 -10.51289169 -0.68439092 1.45571981 -0.62419288 1.35774098 2.01475607 -10.19427772 -11.43330094 -0.87937082 -2.39719403 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041219999999 0.00009218 20265-96-7 5284363 144208825 A A 4-Chloroaniline hydrochloride Cl.Nc1ccc(Cl)cc1 Tox21_201627 -NCGC00259933-01 196721124 tox21-ror-cho-viability-p1 set3 4 -4.83246038 -6.50438676 -3.60661195 -0.32577081 -2.72599198 -3.32116734 -6.44312043 -3.04255542 -4.45342689 0.36033486 -6.84266275 -2.05670546 -3.77449588 -1.84820657 -0.1227465 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.476E-7 3.3009999999E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008253 0.00001846 0.00004127 0.000092279999999 118-52-5 8360 144209582 F 1,3-Dichloro-5,5-dimethylhydantoin O=C1N(Cl)C(=O)N(Cl)C1(C)C Tox21_202384 -NCGC00091351-03 196720713 tox21-ror-cho-viability-p1 set3 4 1.95143078 2.76350089 1.87335147 7.86967472 11.19134418 2.30066534 -9.4594602 4.75164131 1.22889615 -1.00690264 2.04462571 4.09338564 0.56807514 0.2596347 5.0493306 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00254719-01 196720715 tox21-ror-cho-viability-p1 set3 4 24.3365162115 -14.414609428 5.5 -8.914609428 4.0949729863 0.322976829 0.3610584421 4.99975095 -0.24696081 1.66597603 14.17035656 6.71887635 -0.5199106 14.62097061 1.96409928 -1.17130277 9.70112902 7.12340177 4.09010428 2.03237242 -7.42884119 0.57238657 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18829-56-6 5283335 144211132 A F (E)-2-Nonenal CCCCCC\C=C\C=O Tox21_300815 -NCGC00253626-01 196717169 tox21-ror-cho-viability-p1 set2 4 16.7854920005 -16.458702656 0.5 -15.958702656 2.3331733767 0.7748750111 0.0130160207 2.94688282 -0.33222427 -1.57008193 -3.57279706 1.86745244 -1.49781722 -1.11912146 3.50362448 4.14707505 -1.78998185 0.23715087 -0.9253378 -0.01862221 -11.93425912 -13.29891888 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7761-45-7 24466 170466776 A A Methodichlorophen Cc2nc(N)nc(N)c2c1ccc(Cl)c(Cl)c1 Tox21_113755 -NCGC00257693-01 196716348 tox21-ror-cho-viability-p1 set2 4 2.68509908 3.63765207 3.63988088 2.02563577 2.55224612 1.45813804 -0.81467635 -0.45280744 -1.04166552 -1.73950676 3.83543677 0.11863446 2.40686012 1.76965366 -0.01257912 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.468E-7 3.2829999999E-7 7.3419999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.00001835 0.00004104 0.00009177 505-32-8 10453 144207337 A B Isophytol CC(C)CCCC(C)CCCC(C)CCCC(C)(O)C=C Tox21_200139 -NCGC00166022-02 196716752 tox21-ror-cho-viability-p1 set2 4 1.94991612 0.38640032 0.30105128 3.01671697 3.56395315 4.52150591 9.15451611 6.52575779 3.52132281 5.82423137 3.18101621 1.63871667 2.77441935 0.44032385 0.36361835 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 611-71-2 11914 170465573 Z D-(-)-Mandelic acid O[C@@H](C(=O)O)c1ccccc1 Tox21_112292_1 -NCGC00263572-01 196717168 tox21-ror-cho-viability-p1 set2 4 1.14185085 2.31342238 2.69179618 2.44993557 2.80036718 3.07629484 5.42210331 1.81856451 1.86007961 -0.76627053 -0.93481707 5.29353519 0.87753916 4.13592948 11.1549544 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 201530-41-8 5493381 170464723 A Deferasirox O=C(O)c1ccc(cc1)n3nc(nc3c2ccccc2O)c4ccccc4O Tox21_112926_1 -NCGC00164584-03 196717174 tox21-ror-cho-viability-p1 set2 4 -5.18165732 -4.85830743 -7.18670806 -5.03856724 -1.33855057 -4.99112503 -1.98005998 -1.22004916 1.04249471 -0.78242525 0.72698274 1.56832576 0.05223661 1.97112332 0.52091831 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27724-96-5 34001 170465783 A Cetraxate hydrochloride Cl.NC[C@H]1CC[C@@H](CC1)C(=O)Oc2ccc(CCC(=O)O)cc2 Tox21_112210_1 -NCGC00091643-08 196717176 tox21-ror-cho-viability-p1 set2 -2.4 61.130564862 -34.599926708 0 -34.599926708 3.2474983358 0.8278650192 0.0041839815 -0.65750847 1.61374639 2.13190464 2.30140627 -0.81082924 -1.02112357 -10.0064065 -2.25342687 3.18430563 3.05471417 2.77242676 -0.93048699 -0.99293438 -7.80613204 -27.16660559 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00164625-04 196717182 tox21-ror-cho-viability-p1 set2 -1.2 0.3757803576 -37.9942125568 3 -34.9942125568 2.7202212143 0.9720793883 3.226E-7 1.55875642 0.59886741 1.483894 4.4238777 5.92543687 2.75627551 3.76788418 0.80162887 -15.57921927 -28.54006604 -37.26372795 -40.09813808 -38.1594576 -32.38491751 -27.77353414 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 143201-11-0 23663992 170465109 A Cerivastatin sodium [Na+].CC(C)c1nc(c(/C=C/[C@@H](O)C[C@@H](O)CC([O-])=O)c(c1COC)c2ccc(F)cc2)C(C)C Tox21_112244_1 -NCGC00178879-04 196717578 tox21-ror-cho-viability-p1 set2 -1.1 2.6603212004 -85.7815052199 -0.8778881179 -86.6593933378 4.9549173134 0.997071049 0 1.55378721 1.69289473 -5.11257786 1.77145815 -0.11523154 -2.81637672 -3.18117357 -1.51785228 -3.35468805 -0.24243271 -12.8699982 -79.36832652 -85.38790932 -87.00742303 -85.83569778 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54-64-8 16684434 170465469 A Thimerosal [Na+].[O-]C(=O)c1ccccc1S[Hg]CC Tox21_111331_1 -NCGC00160515-02 196717579 tox21-ror-cho-viability-p1 set2 4 -3.17211111 -3.95338921 -4.6647877 -1.71104413 -0.42532236 -1.78946229 2.10599748 -3.55760216 -1.59043439 -3.9164991 -2.88384856 -6.68250452 -5.94629319 -5.37478996 -1.91553892 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56180-94-0 444254 170464784 Z Acarbose OCC4=C[C@H](N[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]1C)O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]4O Tox21_111597_1 -NCGC00189073-02 196713458 tox21-ror-cho-viability-p1 set2 -2.4 16.7854920005 -30.493293944 -2 -32.493293944 0.6 0.8985471002 0.0003477685 -2.41238673 -0.9136016 -1.26755509 -3.85629158 0.67600991 -4.29643292 0.61161573 -6.98340298 -7.61969344 -6.11320967 -5.83729096 -13.36180488 -12.08813225 -18.01558405 -23.74441162 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 606143-52-6 10127622 170466898 A Selumetinib Brc3ccc(Nc1c(F)c2ncn(C)c2cc1C(=O)NOCCO)c(Cl)c3 Tox21_113362_1 -NCGC00090987-03 196713446 tox21-ror-cho-viability-p1 set2 4 -0.73966938 -0.03222628 -0.11643673 -3.17952997 0.16769502 1.56753038 0.17382141 0.03354528 0.01516403 0.89130821 0.42311927 -0.10131695 0.09892536 -0.433757 -0.18936089 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00016010-09 196713452 tox21-ror-cho-viability-p1 set2 4 -0.54764925 1.40046882 -3.28442529 0.77563495 -0.78235855 -4.11121132 0.04002528 -0.08071679 -0.25661401 -5.95187839 0.40069154 -3.48393808 -0.30574378 -0.03965563 1.4307473 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 23031-32-5 441334 170464990 I Terbutaline hemisulfate Oc1cc(cc(O)c1)C(O)CNC(C)(C)C.O=S(=O)(O)O.CC(C)(C)NCC(O)c1cc(O)cc(O)c1 Tox21_110602_1 -NCGC00090721-03 196713457 tox21-ror-cho-viability-p1 set2 4 -5.01800792 -3.73814222 -3.17195489 -6.46689651 -4.29227064 1.1375992 -3.04612185 -0.2607724 -0.90209983 -0.46281718 -0.53544339 1.08340224 0.50157772 0.04394402 0.02514223 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00258179-01 196729251 tox21-ror-cho-viability-p1 set3 2.4 34.2364547331 29.793915132 -3.793915132 26 1.78848746 0.9303944829 0.000050047 -3.87024742 -4.69193557 -7.32826261 -2.17857997 -6.82612801 -2.20522641 -2.95211312 -4.98285527 -3.71830217 -3.35260093 -2.80663797 -1.28915761 6.27785775 9.57503993 25.83581848 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.2869999999E-7 7.351E-7 0.0000016439999999 0.0000036749999999 0.000008218 0.000018379999999 0.00004109 0.00009188 223436-99-5 53316417 144207823 Ac 1-Ethyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide C[N+]1(CC)CCCC1.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F Tox21_200625 -NCGC00163919-02 196728839 tox21-ror-cho-viability-p1 set3 4 24.9068469976 -14.5251158919 0.5 -14.0251158919 2.9522712143 0.7605157657 0.0165965364 1.60793927 8.86808561 -1.75935596 -0.38824321 -1.20355341 -0.77821232 -1.21156058 0.11847349 -2.09220149 0.85600463 -0.01638663 -1.49551495 -3.9281478 -11.8173872 -13.77092991 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00255172-01 196728840 tox21-ror-cho-viability-p1 set3 4 5.4482673282 -6.2792746799 2.5 -3.7792746799 4.9549173134 0.5494079238 0.1375155214 0 4.31649191 0.86563534 7.10114236 3.55118791 -0.90917324 -0.58360089 5.84382669 1.15541426 2.47122531 2.1691269 -3.67784928 -0.87315283 -3.80878538 -5.2327289 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 616-86-4 69229 144211925 A A 4-Ethoxy-2-nitroaniline CCOc1ccc(N)c(c1)[N+]([O-])=O Tox21_301608 -NCGC00256009-01 196728852 tox21-ror-cho-viability-p1 set3 4 7.68477442 0.36717932 13.2674122 11.28206833 11.18965369 9.4457975 17.84604259 5.24842051 6.33983557 1.86129369 7.5265855 19.01121055 8.35483829 2.83161376 4.93737331 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 623-84-7 12198 144212006 A A Propylene glycol diacetate CC(COC(=O)C)OC(=O)C Tox21_301689 -NCGC00257810-01 196729263 tox21-ror-cho-viability-p1 set3 1.1 0.2750051727 55.0230999695 1.574735028 56.5978349975 2.4729283767 0.9772606535 9.95E-8 1.31925895 -0.00241378 -0.40214453 1.77616013 5.65115267 5.50522085 7.28425167 39.02395929 46.87419408 58.61962351 51.51541292 59.70256245 49.99936153 57.55706172 64.02477083 1.187E-9 2.654E-9 5.935E-9 1.327E-8 2.968E-8 6.6359999999E-8 1.484E-7 3.318E-7 7.4189999999E-7 0.000001659 0.0000037099999999 0.000008295 0.00001855 0.000041479999999 0.00009274 10102-45-1 24937 144207454 Thallium nitrate [Tl+].[O-][N+]([O-])=O Tox21_200256 -NCGC00260236-01 196712427 tox21-ror-cho-viability-p1 set2 2.4 68.729149849 25.1562004561 0.8437995439 26 1.0999999999 0.7683232334 0.0145672389 -1.68631559 2.56849075 -2.21350038 -0.64619218 -1.61217235 -1.23098268 5.09781756 4.33159854 2.61136809 1.20141775 1.95250944 3.7584347 5.7534203 6.31804174 19.39537199 1.182E-9 2.6429999999E-9 5.91E-9 1.322E-8 2.955E-8 6.608E-8 1.4779999999E-7 3.304E-7 7.388E-7 0.0000016519999999 0.0000036939999999 0.0000082599999999 0.000018469999999 0.000041299999999 0.00009235 857841-32-8 23079882 144209886 FNS 1-Butyl-3-methylpyridinium trifluoromethanesulfonate Cc1ccc[n+](CCCC)c1.FC(F)(F)S([O-])(=O)=O Tox21_202688 -NCGC00260650-01 196712435 tox21-ror-cho-viability-p1 set2 -1.2 13.3331902297 -55.0210629925 2.2861661725 -52.73489682 4.4494702849 0.9478740586 0.0000105494 -0.44608169 -0.25769799 -0.48221708 -0.15507182 3.74871633 -1.40052359 2.63652294 1.3086525 4.04515162 2.94539576 5.68234675 5.202914 -2.01429177 -58.5943298 -47.67418038 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49546 144210303 M M NTP Mix91 ER AR1 18-EQP Tox21_203105 -NCGC00016000-13 196712448 tox21-ror-cho-viability-p1 set2 -2.1 70.1970324498 -90.7342434157 -7.388052739 -98.1222961547 4.4494702849 0.9423675037 0.0112358685 -9.70491349 -9.23187196 -7.12070022 -8.6153323 -4.4222815 -9.80025354 -14.46443558 0 -37.88305078 0 -13.44197389 0 -10.8197472 -13.90544539 -78.88052739 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00163927-04 196712843 tox21-ror-cho-viability-p1 set2 4 0.0035181857 -12.9700824359 12 -0.9700824359 2.7202212143 0.8115919946 0.0062541755 11.64744727 10.0460119 -1.45360483 0.50666319 1.35578861 -1.45534459 1.17894954 0.12486576 -2.02659788 -1.69279786 1.35796065 0.76046939 -2.3837563 -1.30145105 -4.55840203 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00249909-01 196712851 tox21-ror-cho-viability-p1 set2 4 -0.13529692 0.21757066 -0.40434845 -7.12167205 -4.97068669 -3.25039849 -0.77923995 0.05842371 -2.841551 -0.00058404 0.49019039 -2.75228292 0.47570007 -0.13783537 0.76661411 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4378-36-3 20395 170465618 A I Fenbutrazate CCC(c1ccccc1)C(=O)OCCN2CCOC(C2C)c3ccccc3 Tox21_113685 -NCGC00166120-02 196712866 tox21-ror-cho-viability-p1 set2 -2.2 21.1316824289 -67.9202288101 2.5284005809 -65.3918282292 1.287561 0.9866819357 4.5E-9 4.56496483 5.17673038 1.97611041 3.54857248 2.07184051 2.8635455 2.20980025 0.83189352 -0.20566063 -0.56244432 -2.11710914 -5.78937757 -13.52828788 -28.52837293 -49.53926381 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 124-03-8 31280 170466067 A Ethylhexadecyldimethylammonium bromide [Br-].C[N+](C)(CCCCCCCCCCCCCCCC)CC Tox21_112326_1 -NCGC00255991-01 196709958 tox21-ror-cho-viability-p1 set2 4 48.5577336745 7.590109516 -1.090109516 6.5 3.9294729863 0.7226371276 0.0300668718 0.28706593 0.03603781 -0.42596268 -0.26151399 -0.26289719 -0.32625823 -4.24175793 -2.27005479 -1.69740794 -0.26305124 -1.692521 -2.26806644 -1.99372389 1.53801764 6.10801651 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 128-09-6 31398 144211685 F N-Chlorosuccinimide O=C1CCC(=O)N1Cl Tox21_301368 -NCGC00258931-01 196709140 tox21-ror-cho-viability-p1 set2 4 4.68645626 1.61331244 0.09551511 -0.55426283 0.7185425 -0.1022927 0.15857837 -0.64634334 0.87360939 0.28629061 -0.54865458 4.40130926 6.66861561 -0.12890311 2.26171321 1.1989999999E-9 2.6809999999E-9 5.9959999999E-9 1.3409999999E-8 2.998E-8 6.703E-8 1.4989999999E-7 3.352E-7 7.495E-7 0.000001676 0.000003747 0.0000083789999999 0.000018739999999 0.000041899999999 0.00009368 100-18-5 7486 144208578 AC D 1,4-Diisopropylbenzene CC(C)c1ccc(cc1)C(C)C Tox21_201380 -NCGC00259549-01 196709554 tox21-ror-cho-viability-p1 set2 4 4.66519229 1.18555829 -4.9438294 2.48691377 0.17928579 0.56724003 2.8760081 5.57869441 2.55779238 0.74663932 1.19408116 2.21736847 1.55040077 6.27515556 0.41462947 1.212E-9 2.71E-9 6.06E-9 1.3549999999E-8 3.03E-8 6.775E-8 1.515E-7 3.388E-7 7.575E-7 0.0000016939999999 0.000003787 0.000008469 0.00001894 0.00004235 0.000094689999999 83-41-0 6739 144209198 A F 1,2-Dimethyl-3-nitrobenzene Cc1c(C)cccc1[N+](=O)[O-] Tox21_202000 -NCGC00259582-01 196709556 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -18.704311852 0.5 -18.204311852 4.9549173134 0.6509830628 0.0639896776 -0.37291991 0.57984913 7.3348344 -0.23102615 -2.81575966 -2.97546946 1.92852656 0.63074144 -1.42877237 -0.48112505 0.04278757 4.43592547 -1.11644922 0.32649844 -13.50359321 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004124 0.00009223 2050-47-7 16305 144209231 A A 4,4'-Dibromodiphenyl ether Brc2ccc(Oc1ccc(Br)cc1)cc2 Tox21_202033 -NCGC00255244-01 196710373 tox21-ror-cho-viability-p1 set2 4 -1.18764363 1.11061552 2.24168795 0.29229877 3.42336872 -0.35565821 4.39297375 1.58716297 -1.52927049 3.77159449 -1.84403842 0.78815442 1.2426946 4.05436589 2.69174028 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81-15-2 62329 144212565 A F 2,4,6-Trinitro-1,3-dimethyl-5-tert-butylbenzene O=[N+]([O-])c1c(C)c(c(C)c(c1C(C)(C)C)[N+]([O-])=O)[N+]([O-])=O Tox21_302248 -NCGC00255359-01 196710375 tox21-ror-cho-viability-p1 set2 4 5.35204506 4.77073338 4.35263093 1.64601331 2.33132405 2.1403563 0.37763879 1.4762226 0.2094383 1.83931879 -0.22355721 1.30015459 -0.03832062 0.05863013 5.19891474 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-07-0 8416 144211840 A A N-Phenyldiethanolamine OCCN(CCO)c1ccccc1 Tox21_301523 -NCGC00016058-07 196698208 tox21-ror-cho-viability-p1 set1 4 -0.9861784 -0.27839109 -4.53223814 -1.7290589 -1.65528982 1.00314514 -1.3441313 -2.03983897 7.07444633 0.18678882 -0.97144069 1.17348066 -1.85356109 0.56048147 -1.33266371 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 40796-97-2 671690 170466114 A MDL 72222 CN3[C@H]1CC[C@@H]3C[C@@H](C1)OC(=O)c2cc(Cl)cc(Cl)c2 Tox21_110293_1 -NCGC00356945-01 196723942 tox21-ror-cho-viability-p1 set3 4 0.0034376243 14.104513112 -12.104513112 2 1.111 0.4754947901 0.2011166059 -10.08709426 -7.61878104 3.74131659 -8.34136906 0.79057722 5.96483393 3.78010888 1.07698724 -2.32260775 0.10124629 4.12037694 1.13866887 2.84175605 7.53904915 -1.06471291 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-91-3 110862 251919656 A 2,6-Dimethyl morpholine CC1CNCC(C)O1 Tox21_303829 -NCGC00091278-03 196723946 tox21-ror-cho-viability-p1 set3 4 -0.60698761 4.39406032 1.5388672 -10.052158 7.94912445 0.15645076 -1.46766809 0.09043144 1.09861884 4.19214234 0.91491399 4.45424269 5.81657205 0.57816789 -6.81003084 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00025297-04 196697788 tox21-ror-cho-viability-p1 set1 4 -1.01195391 1.21235155 -4.17833567 -3.31697495 -4.28546759 -2.14576925 -1.09348211 -2.45792905 -2.87825809 -3.04200504 -3.9913515 -4.67697803 -4.18159439 -0.88319947 -2.30061708 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56974-61-9 6604561 170465830 A Gabexate mesilate O=C(Oc1ccc(cc1)C(=O)OCC)CCCCCNC(=N)N.CS(=O)(=O)O Tox21_110789_1 -NCGC00091380-04 196722730 tox21-ror-cho-viability-p1 set3 4 34.3762428541 23.1980253559 -1.1980253559 22 2.7202212143 0.5518295408 0.1337504484 -0.09949198 -0.18957769 1.95663114 -0.80863103 1.26748208 5.71124608 5.06936706 -3.0016309 -12.282765 1.27112855 -16.41502113 5.86570762 2.68107894 11.58238142 23.32288964 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00161419-05 196722308 tox21-ror-cho-viability-p1 set3 -2.4 6.6824247267 -24.804763624 -1.5 -26.304763624 3.0654483358 0.9098900764 0.0003612499 -3.08465794 -3.99918165 0.01638073 -3.90157521 -0.0578997 -3.85766135 -4.04921513 -0.36079616 3.72655203 -0.35272006 -2.39101563 -2.67499394 -21.41578948 -24.83730302 -7.95063889 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_47817 45006154 170465176 C Trimetrexate Cl.Cl.Cl.COc1cc(cc(OC)c1OC)NCc2ccc3nc(N)nc(N)c3c2C Tox21_111995_1 -NCGC00166227-02 196722318 tox21-ror-cho-viability-p1 set3 2.4 33.4914596268 25.61192466 1.88807534 27.5 4.9549173134 0.8209726721 0.0049838746 4.14804313 -1.34327055 6.16868247 0.45195485 0 2.58774256 0.44816685 1.17959853 4.24781492 6.73357361 2.08489152 0.81856107 -0.62640498 0.60575814 23.33730909 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84392-17-6 55251 170466092 A Xenalipin OC(=O)c2ccccc2c1ccc(cc1)C(F)(F)F Tox21_112359_1 -NCGC00017258-08 196722322 tox21-ror-cho-viability-p1 set3 1.4 0.0668242473 18.808179456 -14.308179456 4.5 3.9294729863 0.8340501437 0.0035521537 -10.55959743 -16.33568485 -13.22594557 -6.52550775 -18.73114417 -20.67348288 0 -0.22166432 6.20965194 3.78797172 6.18676676 4.7042648 2.18276984 1.52760327 10.21919211 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 113-42-8 8226 170465383 A Methergine CC[C@@H](CO)NC(=O)[C@@H]2C=C1c3cccc4ncc(C[C@H]1N(C)C2)c34 Tox21_110809_1 -NCGC00183095-01 196722732 tox21-ror-cho-viability-p1 set3 4 42.1632496022 31.673594248 2.326405752 34 0.9999999999 0.5219153459 0.1590544584 7.58075827 0.0272011 5.28092056 -3.44453142 5.49415482 -4.07239641 -0.35566447 -5.56132854 7.61235343 4.87971928 9.24610606 8.86404789 6.62083402 5.23278939 25.01585944 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 220620-09-7 54686904 144206463 D D Tigecycline CC(C)(C)NCC(=O)Nc1cc(N(C)C)c2C[C@H]3C[C@H]4[C@@H](C(O)=C(C(=O)[C@@]4(O)C(O)=C3C(=O)c2c1O)C(N)=O)N(C)C Tox21_112910 -NCGC00247686-01 196722736 tox21-ror-cho-viability-p1 set3 4 0.1549985288 14.898477432 -6.898477432 8 0.8999999999 0.6821074121 0.0465879861 -13.66539786 0 0 -12.69850872 -2.41491561 0 0 0 9.05540766 8.13768143 5.60718079 6.24207249 4.84506685 8.93584096 10.4452169 1.309E-9 2.928E-9 6.547E-9 1.4639999999E-8 3.2739999999E-8 7.32E-8 1.637E-7 3.6599999999E-7 8.184E-7 0.00000183 0.0000040919999999 0.00000915 0.00002046 0.00004575 0.00010229999999 90736-23-5 62300 144206389 A A N-(4-Fluorophenyl)-N-[1-(2-phenylethyl)-4-piperidyl] propanamide Fc1ccc(cc1)N(C3CCN(CCc2ccccc2)CC3)C(=O)CC Tox21_112836 -NCGC00257360-01 196718836 tox21-ror-cho-viability-p1 set2 -1.1 24.3365162115 -83.070447914 0.2997618899 -82.7706860241 4.0949729863 0.9883151974 2.1E-9 1.69875398 1.99951137 1.51309067 0.0546449 -0.90825325 3.13710803 -0.3182573 3.89386539 0.01176126 -9.35528249 -0.56718848 -0.02199924 -18.55054708 -73.68991807 -83.10851571 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-24-4 6928 144213674 A A 2,2'-Methylenebis(ethyl-6-tert-butylphenol) CC(C)(C)c2cc(cc(Cc1cc(CC)cc(c1O)C(C)(C)C)c2O)CC Tox21_303358 -NCGC00256586-01 196718823 tox21-ror-cho-viability-p1 set2 4 0.67206191 0.01392053 2.70042787 1.7532483 0.70433322 4.57692075 0.17256211 4.55216095 0.44219376 9.33936839 6.70392326 0.33260267 -0.08544241 1.47791904 3.05724001 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 684-93-5 12699 144213167 F F N-Nitroso-N-methylurea NC(=O)N(C)N=O Tox21_302850 -NCGC00257305-01 196718831 tox21-ror-cho-viability-p1 set2 4 0.20218758 -4.44563716 1.4377886 0.81806524 2.95150264 4.02913669 1.07384832 2.83043917 0.53791622 1.61251156 3.83683869 5.18974464 2.68823415 -1.00706886 0.25119019 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 32809-16-8 36242 144213945 A A Procymidone Clc1cc(cc(Cl)c1)N2C(=O)C3(C)CC3(C)C2=O Tox21_303640 -NCGC00257319-01 196718834 tox21-ror-cho-viability-p1 set2 4 -3.41292733 -3.5904441 -1.83095484 0.36899309 -1.10521566 -3.6034997 -2.17009413 -0.0410366 -2.46747193 -1.69909621 -2.23628366 0.32405581 -1.23170496 -0.40773585 0.13565875 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.0000189 0.00004225 0.00009448 526-75-0 10687 144213821 A A 2,3-Dimethylphenol Cc1cccc(O)c1C Tox21_303513 -NCGC00257881-01 196715529 tox21-ror-cho-viability-p1 set2 4 0.4332114006 4.4303708319 -4.4303708319 0 4.9549173134 0.3808161547 0.3091670783 -4.15802146 -1.70977529 -10.35864236 -4.54406887 -0.52051658 0.09471044 -8.92312273 -4.06331476 0.61716212 0.87641723 0.13819326 0.0648619 -0.88744295 -0.7681134 -12.96690041 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.00009229 5436-43-1 95170 144207525 A A 2,2'4,4'-Tetrabromodiphenyl ether Brc2cc(Br)ccc2Oc1ccc(Br)cc1Br Tox21_200327 -NCGC00254199-01 196714706 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -12.842940844 -0.5 -13.342940844 4.9549173134 0.9012437339 0.0003157655 0.28928301 -1.15839919 -0.58344806 -0.35144473 -0.74802188 -0.8765723 0.41328894 -1.96536337 -0.70160157 -2.85326002 0.10446808 -0.99714542 -0.24444662 -0.8196928 -11.11911737 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 58-14-0 4993 144210449 A A Pyrimethamine CCc1nc(N)nc(N)c1c2ccc(Cl)cc2 Tox21_300129 -NCGC00254058-01 196715110 tox21-ror-cho-viability-p1 set2 4 -0.71484639 0.54055951 1.5586676 -1.302586 -1.0160039 1.28579192 0.18330176 1.77809999 0.74574304 -0.20338339 0.57247977 1.54221471 1.52423415 0.18621963 -0.06051137 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-20-3 931 144210328 A Ac Naphthalene c1cccc2ccccc12 Tox21_300008 -NCGC00254223-01 196715115 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -46.9629553202 -0.695744113 -47.6586994332 4.9549173134 0.9737145308 2.293E-7 -0.85280608 2.94260031 0.09604279 -0.54935105 -1.57831731 -2.01736971 -3.06822629 -1.04874682 -0.84472105 -0.57271499 -0.95775286 -0.89941388 0.29195795 -0.55043138 -39.01484082 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 205-99-2 9153 144210609 A A Benzo(b)fluoranthene c1cccc5c1cc4c2c5cccc2c3ccccc34 Tox21_300289 -NCGC00257754-01 196715539 tox21-ror-cho-viability-p1 set2 4 -0.5055797 -1.1686714 -1.76013721 0.04375557 -0.60635617 -1.57172508 -2.4704649 -1.3842717 -0.13946165 -2.14769422 -1.34156563 -0.71501535 0.30503853 0.80871648 0.01650061 1.2229999999E-9 2.734E-9 6.113E-9 1.367E-8 3.057E-8 6.8349999999E-8 1.528E-7 3.417E-7 7.641E-7 0.000001709 0.000003821 0.000008543 0.0000191 0.00004272 0.00009552 107-18-6 7858 144207398 A A Allyl alcohol C=CCO Tox21_200200 -NCGC00258137-01 196715944 tox21-ror-cho-viability-p1 set2 4 1.42928363 2.74277515 2.3820692 1.03492295 1.8076306 0.54522972 3.29495 3.6455284 3.89647275 8.00852858 2.8939328 0.76303516 0.67708843 2.11496772 0.53441048 1.1739999999E-9 2.625E-9 5.87E-9 1.3129999999E-8 2.9349999999E-8 6.5629999999E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003669 0.000008203 0.00001834 0.00004102 0.000091709999999 98892-75-2 2734167 144207781 A A 1-Butyl-2,3-dimethylimidazolium chloride [Cl-].CCCCn1cc[n+](C)c1C Tox21_200583 -NCGC00258165-01 196715945 tox21-ror-cho-viability-p1 set2 4 -1.25351646 0.38321497 -5.73793608 -4.31165542 -3.3130498 -1.62898978 -3.51693753 -2.89469365 -0.25214371 -2.49144145 -5.20557299 -0.81834267 -5.48912521 -3.6012199 -3.55364459 1.189E-9 2.6589999999E-9 5.946E-9 1.3299999999E-8 2.973E-8 6.648E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.000003716 0.00000831 0.000018579999999 0.000041549999999 0.000092909999999 74440-81-6 2734239 144207809 A A 1-Hexylpyridinium bromide [Br-].CCCCCC[n+]1ccccc1 Tox21_200611 -NCGC00258027-01 196715946 tox21-ror-cho-viability-p1 set2 4 1.01989092 2.47607171 4.11094441 1.11104341 2.82969662 2.63435429 1.16749034 3.52998788 3.06373783 3.7920101 2.9810795 1.15267156 1.47279251 2.7123219 -1.67179817 1.18E-9 2.6389999999E-9 5.9009999999E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.299E-7 7.376E-7 0.000001649 0.000003688 0.0000082469999999 0.00001844 0.000041229999999 0.0000922 931-19-1 13602 144207671 A A 2-Methylpyridine 1-oxide [O-][n+]1ccccc1C Tox21_200473 -NCGC00257589-01 196730099 tox21-ror-cho-viability-p1 set3 4 0.66374859 0.80200505 4.32669069 0 1.3668952 -1.31491696 -2.52609595 1.015184 -14.74644595 0 -1.34843953 0 -0.38400822 -1.62702293 2.73007925 1.19E-9 2.661E-9 5.95E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003719 0.000008315 0.00001859 0.00004158 0.00009297 100-69-6 7521 144207233 Ac Fns 2-Vinylpyridine C=Cc1ccccn1 Tox21_200035 -NCGC00258243-01 196730517 tox21-ror-cho-viability-p1 set3 4 0.3041988827 -11.171292328 -0.5 -11.671292328 3.1319983358 0.3894002814 0.281592341 -1.96128028 0.91648767 -0.44711435 0.03577874 -1.13423645 1.11348556 -2.5412275 -2.60384199 -28.47607694 -3.51069749 -24.57701056 -1.82764741 -10.38794937 -9.17095932 -6.76713021 1.173E-9 2.6229999999E-9 5.865E-9 1.312E-8 2.933E-8 6.558E-8 1.466E-7 3.279E-7 7.3319999999E-7 0.0000016389999999 0.0000036659999999 0.000008197 0.00001833 0.00004098 0.00009165 58-22-0 6013 144207887 A A Testosterone O=C4CC[C@@]3(C)C(CC[C@@H]1[C@@H]3CC[C@]2(C)[C@@H](O)CC[C@@H]12)=C4 Tox21_200689 -NCGC00257903-01 196730102 tox21-ror-cho-viability-p1 set3 4 -6.36688201 1.3460279 0.94973878 -2.53399044 -18.34610304 -3.04807295 -13.20451323 -8.82780946 -6.06566823 -3.77955219 -2.30418018 0 -12.66695775 -9.20690726 -9.35403539 1.194E-9 2.67E-9 5.9709999999E-9 1.335E-8 2.985E-8 6.675E-8 1.493E-7 3.338E-7 7.463E-7 0.000001669 0.000003732 0.0000083439999999 0.00001866 0.00004172 0.00009329 637-92-3 12512 144207547 FNS 2-Methyl-2-ethoxypropane CC(C)(C)OCC Tox21_200349 -NCGC00258750-01 196730511 tox21-ror-cho-viability-p1 set3 4 -0.60219469 -0.2331422 0.73209803 -4.40178954 -4.50059229 -0.85848329 -3.82670539 -3.91992217 -5.68254199 1.16844544 0.10831783 -0.31602651 -0.25672404 2.49832823 2.78394199 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.552E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.0000036629999999 0.00000819 0.00001831 0.00004095 0.000091569999999 60-19-5 66449 144208396 A A Tyramine hydrochloride Cl.Oc1ccc(CCN)cc1 Tox21_201198 -NCGC00257916-01 196730518 tox21-ror-cho-viability-p1 set3 4 -1.02686634 1.05643751 0.07810037 0.87988942 -1.6598842 1.47590374 -2.54981668 0.80838432 0.82972238 -1.19032069 0.18425351 0.9611478 1.99354875 0.79939372 -2.02854858 1.177E-9 2.631E-9 5.884E-9 1.316E-8 2.942E-8 6.578E-8 1.471E-7 3.289E-7 7.354E-7 0.000001645 0.0000036769999999 0.000008223 0.00001839 0.00004111 0.00009193 78-87-5 6564 144207560 FNS 1,2-Dichloropropane CC(Cl)CCl Tox21_200362 -NCGC00164164-02 196730520 tox21-ror-cho-viability-p1 set3 4 0.29697255 0.20318384 -6.18711222 -0.48927786 -3.55478173 -2.8141158 -6.54167774 0 -2.20371496 -3.83335197 -1.41084346 -1.82963696 -9.73809998 0.55244141 -0.43834331 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00258408-01 196711627 tox21-ror-cho-viability-p1 set2 4 -3.80966921 -5.5076196 -14.3345766 -9.56961675 -7.78892432 -16.84700947 0 -78.5047586 -39.66033594 -8.99652863 0 -26.6669782 -0.78910145 -17.68696885 -14.22187218 1.1859999999E-9 2.6519999999E-9 5.929E-9 1.326E-8 2.964E-8 6.629E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.0000037059999999 0.000008286 0.00001853 0.000041429999999 0.00009264 76-43-7 6446 144208052 A A Fluoxymestrone C[C@]4(O)CC[C@@H]2[C@]4(C)C[C@H](O)[C@]1(F)[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_200854 -NCGC00255886-01 196710795 tox21-ror-cho-viability-p1 set2 4 2.28073546 0.0308989 -0.94321337 2.95728885 1.17731503 2.78398157 -0.08817229 3.89721717 3.49391699 0.25765143 3.28220983 -0.66443888 -1.69337959 -0.58878234 0.94651336 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2050-60-4 16306 144211706 A A Dibutyl ethanedioate O=C(OCCCC)C(=O)OCCCC Tox21_301389 -NCGC00260344-01 196711211 tox21-ror-cho-viability-p1 set2 4 -1.26375943 -8.14220708 -2.53077026 -0.0764014 -2.84160021 -2.24807477 -2.71015845 -2.1039751 -4.26321781 0.28321596 0.81130377 -7.72141721 2.73061484 0.38916813 -2.66613217 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009203 143314-14-1 16211072 144209996 A 1-Ethyl-3-methylimidazolium nitrate O=[N+]([O-])[O-].C[n+]1ccn(CC)c1 Tox21_202798 -NCGC00260578-01 196711223 tox21-ror-cho-viability-p1 set2 4 -4.74251135 -8.2339946 -10.84555052 -10.46817386 -6.08501081 -38.6930877 -44.53529742 -10.50939054 -33.49896595 -68.59932315 0 -46.1992726 0 -17.45353694 -13.65559037 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49474 144210231 M M NTP Mix55 CT1 3-EQP Tox21_203033 -NCGC00260249-01 196711628 tox21-ror-cho-viability-p1 set2 4 77.0370913869 16.975579448 1.024420552 18 4.9549173134 0.6610505198 0.0583458195 0.04706732 -1.17265356 -2.47964954 5.15492182 4.66105794 0.69054449 -0.27277956 0.03072995 1.09883829 3.86333551 -1.391177 3.93405448 1.8874008 0.83945098 13.81003316 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.00000369 0.000008252 0.000018449999999 0.000041259999999 0.00009226 623167-81-7 2734249 144209899 A A 1-Hexylpyridinium trifluoromethanesulfonate FC(F)(F)S([O-])(=O)=O.CCCCCC[n+]1ccccc1 Tox21_202701 -NCGC00260460-01 196711633 tox21-ror-cho-viability-p1 set2 2.4 63.8759984085 31.94011246 0.05988754 32 2.6384283767 0.9675784373 7.6E-7 0.61571497 0.09955608 -0.4457131 -0.7751452 -0.31612599 0.72920965 0.60091002 0.08536228 -0.57214919 0.80849635 -0.44651762 -0.78342705 4.66450645 6.54800973 24.30021857 1.224E-9 2.736E-9 6.118E-9 1.3679999999E-8 3.059E-8 6.84E-8 1.529E-7 3.42E-7 7.647E-7 0.00000171 0.0000038239999999 0.00000855 0.00001912 0.000042749999999 0.00009559 333-27-7 9526 144210112 C Methyl trifluoromethanesulfonate FC(F)(F)S(=O)(=O)OC Tox21_202914 -NCGC00260141-01 196711634 tox21-ror-cho-viability-p1 set2 4 2.9885730954 7.049430084 -1.549430084 5.5 2.3531167061 0.7933190936 0.0093329448 -0.46222389 -3.71914116 0.34805325 0.61781386 -0.68725464 -2.53855362 -2.47493183 -3.48353843 -4.62452507 -0.12606269 -0.13801688 3.34280877 4.98836424 4.90488774 5.69361123 5.905E-10 1.32E-9 2.952E-9 6.601E-9 1.476E-8 3.3009999999E-8 7.381E-8 1.65E-7 3.69E-7 8.252E-7 0.000001845 0.000004126 0.000009226 0.000020629999999 0.00004613 13927-77-0 4523766 144209791 Fc Nickel dibutyldithiocarbamate S=C(S[Ni]SC(=S)N(CCCC)CCCC)N(CCCC)CCCC Tox21_202593 -NCGC00260157-01 196712036 tox21-ror-cho-viability-p1 set2 -2.4 30.70018354 -55.111904639 -5.010173149 -60.122077788 0.9999999999 0.6587822311 0.4065511182 -5.03180819 -7.27316795 -7.04091326 -5.6352775 -7.47463701 -41.20598662 0 -7.4329778 -14.32363693 -20.58808984 -6.15985261 -15.4243948 -12.74604881 -50.10173149 9.32139545 1.182E-9 2.6429999999E-9 5.9109999999E-9 1.322E-8 2.955E-8 6.608E-8 1.4779999999E-7 3.304E-7 7.388E-7 0.0000016519999999 0.0000036939999999 0.0000082599999999 0.000018469999999 0.000041299999999 0.00009235 4655-34-9 20769 144209807 Fns Isopropyl methacrylate C=C(C)C(=O)OC(C)C Tox21_202609 -NCGC00260210-01 196712042 tox21-ror-cho-viability-p1 set2 2.4 76.3331411321 29.322015036 2.677984964 32 0.8999999999 0.7532396647 0.0186054169 3.84747277 2.47792854 0.68200858 2.99943235 2.72769964 -0.68501253 4.64776671 7.3866426 5.30151141 7.11764327 1.17343265 3.5468765 7.08947266 10.128756 23.85137006 1.172E-9 2.621E-9 5.862E-9 1.311E-8 2.931E-8 6.554E-8 1.465E-7 3.277E-7 7.327E-7 0.0000016379999999 0.000003664 0.000008192 0.00001832 0.00004096 0.00009159 623580-02-9 12184311 144209860 FNS 1-Butyl-1-methylpiperidinium bis(trifluoromethylsulfonyl)imide FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C[N+]1(CCCC)CCCCC1 Tox21_202662 -NCGC00260567-01 196712045 tox21-ror-cho-viability-p1 set2 4 0.3669405951 -6.19069255 -3.84387223 -18.1067248 -4.27878835 -2.83308933 0 -20.10999238 -0.17404054 -6.1947911 -11.01868298 -23.83859987 -1.87369582 -38.87618363 -29.67994876 -11.68026836 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49463 144210220 M M NTP Mix75 CT1 62-EQP Tox21_203022 -NCGC00260176-01 196712049 tox21-ror-cho-viability-p1 set2 2.4 54.2057602633 27.8146326201 2.1853673799 30 0.3 0.7371406235 0.0236829963 -0.26219385 5.33921725 -0.25735793 5.70412475 5.53223935 9.11620761 8.26475509 8.75741308 9.96539126 7.76712116 8.44753539 9.40880434 10.2514498 15.59347693 21.88139014 1.175E-9 2.626E-9 5.873E-9 1.3129999999E-8 2.936E-8 6.566E-8 1.468E-7 3.2829999999E-7 7.341E-7 0.000001642 0.0000036709999999 0.000008208 0.00001835 0.00004104 0.00009176 61546-00-7 16749605 144209826 F Fns 1-Dodecyl-3-methylimidazolium bromide [Br-].C[n+]1ccn(CCCCCCCCCCCC)c1 Tox21_202628 -NCGC00260296-01 196712052 tox21-ror-cho-viability-p1 set2 4 0.03958027 -6.31107608 -13.6928548 -7.45893196 -6.4563405 -13.98457191 -8.50058132 -37.62531383 0 0 0 0 0 -10.04691529 1.80642739 2.8959999999E-10 6.4749999999E-10 1.448E-9 3.237E-9 7.2389999999E-9 1.6189999999E-8 3.62E-8 8.094E-8 1.81E-7 4.0469999999E-7 9.049E-7 0.000002023 0.000004524 0.000010119999999 0.00002262 629-73-2 12395 144209946 Fns 1-Hexadecene CCCCCCCCCCCCCCC=C Tox21_202748 -NCGC00179408-03 196697836 tox21-ror-cho-viability-p1 set1 4 0.4080116 8.9159588 -0.50055863 0.8746681 4.09660292 0.41989906 1.0089257 2.36725588 0.75444484 0.28006329 0.88112981 4.39880596 5.47715264 4.66423485 2.89403106 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 92339-11-2 3724 170464924 F Iodixanol OCC(O)CNC(=O)c1c(I)c(c(I)c(C(=O)NCC(O)CO)c1I)N(CC(O)CN(C(C)=O)c2c(I)c(c(I)c(c2I)C(=O)NCC(O)CO)C(=O)NCC(O)CO)C(C)=O Tox21_110711_1 -NCGC00016760-08 196697827 tox21-ror-cho-viability-p1 set1 4 -6.79942835 -2.53624954 -1.30423737 -8.33332547 -2.41010418 -2.21582643 -4.56668807 -4.88695271 -1.77191842 -1.53599235 -3.53749211 -5.2860001 -2.11238645 -8.42085462 -4.52403695 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 22232-54-8 31072 170465583 A Carbimazole S=C1N(C=CN1C)C(=O)OCC Tox21_110596_1 -NCGC00274271-01 196697830 tox21-ror-cho-viability-p1 set1 4 -1.73925538 0.51247986 -1.28246059 0.52880761 -3.12024993 -4.58853568 0.72933955 3.42129985 0.24724838 -2.26424974 -0.11546041 0.30668513 -2.12586175 -1.19156481 1.22558227 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79-64-1 6607 170465914 A A Dimethisteron C[C@H]3C[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@@]1(O)C#CC)[C@@]4(C)CCC(=O)C=C34 Tox21_113973 -NCGC00167499-02 196697833 tox21-ror-cho-viability-p1 set1 4 0.05985243 -6.84918004 -0.04526837 0.57370866 0.14012365 -4.21086937 -3.25369064 -2.75668255 0.21924494 0.63692572 2.81547867 -3.49261379 -4.0312066 -6.99169583 0.03404199 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 93793-83-0 56704 170465941 A Roxatidine acetate hydrochloride Cl.CC(=O)OCC(=O)NCCCOc2cc(CN1CCCCC1)ccc2 Tox21_112500_1 -NCGC00091284-03 196698229 tox21-ror-cho-viability-p1 set1 4 96.8854161011 -33.193509952 -3 -36.193509952 0.7999999999 0.6507948064 0.0637130886 -0.74254528 2.61773921 -3.12817367 -4.52204396 -2.38812851 -6.06219797 -5.2346884 -8.96305977 -5.4789915 -3.41948545 -4.73285777 -5.36323165 -6.64538536 -7.52608242 -26.82792496 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00185766-04 196698234 tox21-ror-cho-viability-p1 set1 4 -2.14852422 -1.93252474 -6.97311524 -3.17826054 1.15111133 -1.8100701 -1.45470989 -3.54544386 -2.76035967 1.92319936 0.16764608 2.05380249 1.54481595 0.27866255 -0.98323247 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 81161-17-3 104769 170465277 A Esmolol hydrochloride Cl.CC(C)NCC(O)COc1ccc(cc1)CCC(=O)OC Tox21_113496_1 -NCGC00160458-02 196698235 tox21-ror-cho-viability-p1 set1 4 0.8385438 -0.97868843 0.92402201 2.16020285 2.89587815 -2.93603333 -1.01589031 3.93159534 0.77608264 -3.90678169 2.28338042 1.73092689 2.11525627 -2.22730797 0.01188392 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71475-35-9 68907 170466406 A Lozilurea Clc1cc(CNC(=O)NCC)ccc1 Tox21_111828_1 -NCGC00090965-04 196721543 tox21-ror-cho-viability-p1 set3 4 15.3553036427 -16.933058964 -1 -17.933058964 0.2 0.3623734592 0.3092427006 -8.34156714 -3.73563288 -0.22351336 4.19683185 -4.31797341 -11.69532172 -6.80783321 -7.21679628 -7.4754124 -7.41046958 -8.14858001 -6.90155878 -7.42250618 -10.12251135 -14.11088247 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00260007-01 196721527 tox21-ror-cho-viability-p1 set3 4 -13.93728671 -6.0473353 -4.59952139 -4.94768641 -4.77823128 -6.67958929 -5.04949983 -6.35234901 -4.50655361 -2.61288859 -8.0468489 -5.39549592 -8.39976903 -5.33099873 -17.27586487 1.195E-9 2.671E-9 5.973E-9 1.336E-8 2.986E-8 6.678E-8 1.493E-7 3.3389999999E-7 7.466E-7 0.000001669 0.000003733 0.000008347 0.00001866 0.00004174 0.00009332 439-14-5 3016 144209656 A A Diazepam Clc1ccc2c(c1)C(=NCC(=O)N2C)c3ccccc3 Tox21_202458 -NCGC00259329-01 196721532 tox21-ror-cho-viability-p1 set3 4 -5.09167713 -3.8917892 -2.79086656 1.83066428 -4.41820698 -4.66242476 -4.96699135 -5.16302039 -5.42377584 -1.41440719 -4.50634784 -2.34873695 -3.9790517 3.73848198 0.64261404 1.1759999999E-9 2.63E-9 5.8799999999E-9 1.315E-8 2.94E-8 6.574E-8 1.4699999999E-7 3.2869999999E-7 7.35E-7 0.0000016439999999 0.0000036749999999 0.000008218 0.000018379999999 0.00004109 0.00009188 124-68-5 11807 144208978 A A 2-Amino-2-methylpropan-1-ol CC(C)(N)CO Tox21_201780 -NCGC00090698-04 196721537 tox21-ror-cho-viability-p1 set3 4 -5.57782763 -3.39601706 -2.45722485 1.69730591 -5.20512115 -8.088033 -3.76318673 -5.35533511 -3.54310794 -3.85341618 -4.81543756 -3.85515669 -3.80348273 -4.82722446 -5.19083868 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00259682-01 196721547 tox21-ror-cho-viability-p1 set3 4 41.4790182692 13.9512295639 -4.9512295639 9 3.0654483358 0.5254800313 0.1567050117 -3.02700268 -4.11825911 -1.99768598 0.19497321 -0.36958109 -6.55421414 -8.78847225 -12.45935797 -8.02662977 -5.64345805 -3.52901357 -2.05305789 -4.964225 1.48948281 7.80122567 1.1389999999E-9 2.5469999999E-9 5.6959999999E-9 1.2739999999E-8 2.8479999999E-8 6.369E-8 1.424E-7 3.184E-7 7.1199999999E-7 0.000001592 0.00000356 0.000007961 0.0000178 0.0000398 0.000089 7775-09-9 516902 144209331 Sodium chlorate [Na+].[O-]Cl(=O)=O Tox21_202133 -NCGC00163818-04 196721928 tox21-ror-cho-viability-p1 set3 -2.4 11.5931971609 -23.471681116 -1 -24.471681116 0.5 0.7073068175 0.0349540413 -3.66723473 -0.23613872 1.46322501 -3.87225409 -3.38669506 -3.00914387 -2.12971669 -2.43128053 -5.71568171 -3.82546932 -15.35066349 -14.62576286 -14.44983624 -6.94346266 -23.72640093 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00166213-02 196717620 tox21-ror-cho-viability-p1 set2 4 0.4098895 0.56258773 1.84582385 1.30798443 6.88801659 3.86907386 4.77878156 4.20540591 -0.41020938 1.94579698 -0.23360464 0.55555516 1.80121562 -0.85906238 1.06742264 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5333-42-6 21414 170465533 F 2-Octyl-1-dodecanol CCCCCCCCC(CCCCCCCCCC)CO Tox21_112351_1 -NCGC00166312-02 196717604 tox21-ror-cho-viability-p1 set2 -3 33.4914596268 -34.817463376 -1.5 -36.317463376 4.9549173134 0.9483614374 0.0000100743 -0.75874588 -3.26300714 -0.37474969 -2.31755744 -2.66104315 -2.96735714 0.04965111 -0.33300294 -2.90982555 -2.00982676 0.11556582 -5.5411166 -0.08870964 -1.71762873 -31.93121948 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57808-65-8 42574 170466628 F Closantel Clc3cc(NC(=O)c1cc(I)cc(I)c1O)c(C)cc3C(C#N)c2ccc(Cl)cc2 Tox21_112408_1 -NCGC00249913-01 196717614 tox21-ror-cho-viability-p1 set2 4 -0.08260138 0.10930465 2.24975267 -0.58846483 3.87976412 4.49703436 5.85424315 3.9734329 0.28058708 0.14739415 -3.6820564 -0.1353055 0.1579791 -3.01317182 -0.62875304 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1081-50-1 5369881 170465758 Ac Ac Isoniazid pyruvate O=C(N\N=C(\C)C(=O)O)c1ccncc1 Tox21_113689 -NCGC00179642-03 196717618 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -15.64386254 -1.5 -17.14386254 2.3331733767 0.6143582615 0.0878180429 1.39053503 -3.10050139 -5.25315847 -0.17460935 -5.57459236 -4.64016833 -0.17234061 2.51855248 -1.78184575 -0.09749425 0.21460977 -1.51220405 -2.80677936 -5.32993562 -12.61988545 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27523-40-6 3760 170466012 A Isoconazole nitrate Clc3ccc(C(OCc1c(Cl)cccc1Cl)Cn2ccnc2)c(Cl)c3 Tox21_110616_1 -NCGC00016853-06 196718018 tox21-ror-cho-viability-p1 set2 4 4.7307944147 -9.544970636 3 -6.544970636 1.01 0.6959651733 0.0404980117 0.72498321 0.49067271 1.23949529 2.56033473 4.53337363 4.5356698 4.74353998 6.61807408 0.35101787 0.3871607 0.34500221 -1.90468487 -1.13631287 -7.53747553 -4.49796915 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 42924-53-8 4409 170464970 A Nabumetone CC(=O)CCc1ccc2cc(ccc2c1)OC Tox21_110647_1 -NCGC00091086-02 196718015 tox21-ror-cho-viability-p1 set2 4 -1.07994225 -0.09513113 3.79723603 3.25871836 6.13948797 5.52749721 3.08655933 2.36437529 5.03631021 1.52497815 1.43826563 -0.01450066 3.25968505 -2.43844294 3.10354314 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-18-9 12308 144214003 D 3-Bromo-1-propanol BrCCCO Tox21_400042 -NCGC00090701-06 196718431 tox21-ror-cho-viability-p1 set2 4 0.89970945 0.0179439 0.85043426 0.05193522 -2.27655141 -0.63149252 0.12228572 4.88192087 -1.614071 -0.56715646 0.10785465 1.15922409 0.86226762 -0.23962622 -4.65857421 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00256407-01 196718433 tox21-ror-cho-viability-p1 set2 4 -1.90414717 -2.00222578 0.67295695 -2.55547314 -2.60761465 -0.13981295 -3.14484104 -1.9516254 -3.02036167 -3.23209963 -8.50216705 1.52880016 -4.19203071 -2.9482681 -0.72527471 1.131E-9 2.53E-9 5.657E-9 1.2649999999E-8 2.828E-8 6.324E-8 1.4139999999E-7 3.162E-7 7.0709999999E-7 0.000001581 0.000003535 0.0000079059999999 0.00001768 0.00003953 0.00008839 22839-47-0 134601 144213282 D Aspartame O=C(O)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC Tox21_302965 -NCGC00253947-01 196715154 tox21-ror-cho-viability-p1 set2 4 -1.00137778 -1.42861347 -1.64001353 -3.11066182 -1.37217975 -3.09126786 -7.38675177 -1.50870894 -5.91038188 -6.8154501 -7.97516284 -5.45537875 -3.44104757 -0.35926656 -6.81119779 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 199171-88-5 9799979 144210527 A A CP-401387 O=C(O)[C@H]1CC[C@@](C#N)(CC1)c2ccc3c(c2)n(nc3CC)C4CCCCC4 Tox21_300207 -NCGC00254111-01 196715132 tox21-ror-cho-viability-p1 set2 4 -0.49965143 -1.96603442 0 0.13019199 0.98185742 1.66654336 -0.73056436 1.85399929 3.26781592 2.30668493 2.30038711 2.50148942 4.38027762 2.10813428 1.13064589 2.831E-10 6.331E-10 1.4159999999E-9 3.166E-9 7.078E-9 1.583E-8 3.5389999999E-8 7.9139999999E-8 1.7699999999E-7 3.957E-7 8.848E-7 0.000001978 0.000004424 0.000009892 0.00002212 NOCAS_47383 60196409 144210576 A A AVE3247 [Na+].Clc1ccc(s1)c6onc(Cn4c5ccc(cc5nc4C(=O)NC2CCN(CC2)C3CC3)C([O-])=O)c6 Tox21_300256 -NCGC00254851-01 196715131 tox21-ror-cho-viability-p1 set2 4 -3.7195603 -6.49093173 -3.27691384 -5.55803138 -10.71506336 -7.70264331 -11.82714426 -4.28776045 -4.28941292 2.30347047 -4.80101985 -10.98634294 -0.64403773 -5.35581597 2.46260148 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 32449-92-6 2724333 144211266 I D-Glucuronolactone O[C@@H]2O[C@@H]1[C@@H](O)C(=O)O[C@@H]1[C@H]2O Tox21_300949 -NCGC00255097-01 196715133 tox21-ror-cho-viability-p1 set2 4 0.0030637859 27.756206128 -20.256206128 7.5 0.3 0.6255575528 0.3962388436 -62.26347362 -13.54683844 -0.99014133 1.02652551 -2.61685368 2.50395759 0 0.73303721 1.26708019 0.7670801 0.0119983 8.92515048 8.386537 6.72981688 5.46494578 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-44-2 7756 144211517 I I N-Hydroxy-4-methylpentan-2-imine CC(C)CC(\C)=N\O Tox21_301200 -NCGC00258456-01 196715545 tox21-ror-cho-viability-p1 set2 4 1.85876459 -1.04058311 -0.42256849 -3.85854613 -4.50210134 -2.25647464 -7.09905896 -7.02829463 1.23154359 0.54227752 1.17529471 0.85069206 0.74115512 -0.25950092 -0.18948639 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.679E-8 1.494E-7 3.34E-7 7.468E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004175 0.000093349999999 127-68-4 31389 144208100 A A Sodium 3-nitrobenzenesulfonate [Na+].O=S([O-])(=O)c1cc(ccc1)[N+]([O-])=O Tox21_200902 -NCGC00260239-01 196724362 tox21-ror-cho-viability-p1 set3 4 -4.75190906 1.74126355 2.95583169 4.51037213 8.20419665 0.82251611 6.16001863 0.74386533 -4.39892323 0.29171272 -0.11603591 0.59263817 -0.30688694 -3.17610065 6.94858411 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.61E-8 1.4779999999E-7 3.305E-7 7.3899999999E-7 0.0000016529999999 0.0000036949999999 0.000008263 0.00001848 0.00004131 0.000092379999999 882172-79-4 60196392 144209889 FNS 1-Butyl-4-methylpyridinium trifluoromethanesulfonate Cc1cc[n+](CCCC)cc1.FC(F)(F)S([O-])(=O)=O Tox21_202691 -NCGC00091839-03 196724778 tox21-ror-cho-viability-p1 set3 -2.4 61.130564862 -29.7308962199 -1.5 -31.2308962199 3.1319983358 0.8334427047 0.0036250337 -7.23924375 -6.12763919 2.6337188 -0.14666486 1.31024232 0.14153835 -1.48663046 -1.45154738 -3.91261931 -2.58318629 1.36445216 -1.04302424 -3.92962824 -7.71631447 -24.77574685 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1421-63-2 15008 144214013 A A 2',4',5'-Trihydroxybutyrophenone Oc1cc(C(=O)CCC)c(O)cc1O Tox21_400052 -NCGC00181915-02 196725191 tox21-ror-cho-viability-p1 set3 4 0 0 0 0 -13.09059539 -16.4539063 -11.2056182 -11.54122684 10.16027069 -19.11140352 9.98312252 -20.76181227 10.38543901 -6.1019882 -9.40969998 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118635-52-2 164072 144206888 B C Mepranoprofen arbamel CN(C)C(=O)COC(=O)C(C)c1cc2Cc3ccc(C)nc3Oc2cc1 Tox21_113336_1 -NCGC00181154-03 196725189 tox21-ror-cho-viability-p1 set3 4 0.87367054 -0.36397316 -0.61188889 4.56728752 3.13707777 7.54901148 7.64852579 2.46133989 8.52846023 11.57637877 -1.34985046 -1.01211617 7.94999099 10.73087174 8.02369777 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98-72-6 66826 170465716 A Nitarsone O=[N+]([O-])c1ccc(cc1)[As](O)(O)=O Tox21_112758_1 -NCGC00179556-03 196713706 tox21-ror-cho-viability-p1 set2 4 -5.79383283 1.00983754 -5.96841117 -4.51769625 0.12695859 2.25721852 2.76174948 -5.89433407 -5.52480047 -6.18869413 -3.90210365 -2.82212436 -1.31818503 -3.56726999 0.7396992 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50370-12-2 47965 170464658 I Cefadroxil CC=3CS[C@H]2N(C(=O)[C@H]2NC(=O)[C@H](N)c1ccc(O)cc1)C=3C(=O)O Tox21_110651_1 -NCGC00159369-04 196713286 tox21-ror-cho-viability-p1 set2 4 0.0037578036 -15.0149475919 13.5 -1.5149475919 3.0654483358 0.9284385256 0.0000583143 13.60143939 12.45517871 9.42016716 -0.8519053 -2.3205051 -3.34578966 2.11533998 -1.54608523 -0.17003401 1.15699606 -1.64954041 -1.87180564 -2.37701089 -1.64873931 -0.84952349 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112-92-5 8221 170465526 F 1-Octadecanol CCCCCCCCCCCCCCCCCCO Tox21_111610_1 -NCGC00166265-02 196713290 tox21-ror-cho-viability-p1 set2 4 1.87894616 -0.90641815 1.2810265 -0.40675438 1.20836628 -1.02218652 2.44667588 -0.29450806 1.56356792 2.17916361 -0.98941442 0.12981359 2.17816114 1.12507735 2.03164275 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2037-95-8 16258 170466090 A Carsalam O=C2NC(=O)Oc1ccccc12 Tox21_112383_1 -NCGC00159368-05 196713700 tox21-ror-cho-viability-p1 set2 4 0.1333319023 10.417050992 -7.417050992 3 0.6 0.8785752443 0.0008505446 -8.26420916 -4.7406834 -6.86106664 -6.57827195 -5.42957024 -4.5859946 -2.55188716 -2.52849927 -0.18297243 0.1220397 2.0419355 3.17101285 0.40520999 -0.00652583 5.52005723 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 36653-82-4 2682 170465348 F 1-Hexadecanol CCCCCCCCCCCCCCCCO Tox21_111609_1 -NCGC00015060-18 196713712 tox21-ror-cho-viability-p1 set2 4 -1.52099553 -6.1456492 -1.63842523 -5.15659053 -2.97223521 0.34889217 -1.65242794 -1.32894881 -2.83781081 -4.87741674 -2.36546503 -4.28051683 -2.71429924 -0.20595926 0.98449 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 446-86-6 2265 170464989 A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_110074_1 -NCGC00255578-01 196710397 tox21-ror-cho-viability-p1 set2 4 4.13798671 3.1776249 -1.53367648 0.89544651 -0.20770205 1.13001916 3.74101386 3.9620763 -1.583039 -0.7296737 0.10590446 4.2417675 3.79801964 -0.42879026 4.13939588 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4437-85-8 107282 144211788 A A Butylene carbonate O=C1OCC(CC)O1 Tox21_301471 -NCGC00259080-01 196709582 tox21-ror-cho-viability-p1 set2 -3 59.7035328925 -56.2636036424 1.9071150874 -54.356488555 4.5044702849 0.9624523597 0.0000017226 4.7288118 0.84744583 0.94033211 -0.82398687 -4.19321917 4.54463905 3.8440648 3.20685611 4.749374 1.00424292 4.00070727 3.81570072 -0.23238745 -5.66534038 -47.10832425 1.157E-9 2.5879999999E-9 5.7869999999E-9 1.2939999999E-8 2.894E-8 6.471E-8 1.447E-7 3.235E-7 7.234E-7 0.000001618 0.000003617 0.000008088 0.000018089999999 0.00004044 0.00009043 82657-04-3 5281872 144208728 A A Bifenthrin Cl\C(=C/C3C(C(=O)OCc2cccc(c1ccccc1)c2C)C3(C)C)C(F)(F)F Tox21_201530 -NCGC00090962-05 196709999 tox21-ror-cho-viability-p1 set2 1.4 0.0015261658 23.7632783639 -22.7632783639 1 4.5044702849 0.9021729782 0.000532899 -17.30273197 -0.99907273 1.88315274 1.21814389 1.59874513 0.91434802 0.27677285 -0.42280403 3.77447607 3.15954307 3.03917034 0.75642053 0.58282245 -2.696514 -13.36844026 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00255355-01 196710005 tox21-ror-cho-viability-p1 set2 4 3.55658249 -0.36178861 -0.04515066 0 -4.70282282 -1.17711783 0.98631961 2.07043406 -1.58402355 1.69877051 1.48866793 1.67861163 2.75013271 1.6180324 4.118592 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 608-25-3 11843 144212290 A A 2-Methyl-1,3-benzenediol Oc1cccc(O)c1C Tox21_301973 -NCGC00255790-01 196710396 tox21-ror-cho-viability-p1 set2 4 0.25401038 -3.85943309 0.97013574 -1.80223774 -0.56301274 -1.63802982 -7.68753052 -7.8655256 -7.00632081 0.64195086 -1.03013993 0.5814537 -1.54619009 1.59985279 -0.77422153 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 392-12-1 803 144211682 D F Indole-3-pyruvic acid O=C(O)C(=O)Cc2cnc1ccccc12 Tox21_301365 -NCGC00255430-01 196710401 tox21-ror-cho-viability-p1 set2 4 0.0015355304 13.922404056 -15.922404056 -2 0.8999999999 0.5484897734 0.1386715826 -11.60200338 -4.9609403 -3.54907354 -6.97259571 -5.21615703 -0.01509064 -0.23616321 -1.62301665 -0.85794919 -0.41243915 -3.10153148 0.91058432 -5.22869971 -3.97177748 -3.41879071 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 134-84-9 8652 144211946 A A 4-Methylbenzophenone Cc1ccc(cc1)C(=O)c2ccccc2 Tox21_301629 -NCGC00256051-01 196710402 tox21-ror-cho-viability-p1 set2 4 -3.70309938 -2.51135444 -3.34187523 -0.05832934 0.30104124 -1.51285617 -0.1902055 -0.44737017 -1.15055074 0.20121243 2.32284291 -2.37343575 -5.48748401 -5.99400774 2.04271608 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-26-7 8880 144212041 Ac A N-(2-Hydroxyethyl)acetamide CC(=O)NCCO Tox21_301724 -NCGC00090721-03 196710405 tox21-ror-cho-viability-p1 set2 4 -1.61748762 -1.86421695 -0.25366946 1.11029501 -1.25903848 -1.97215974 0.38287698 -1.50819268 0.7764886 -1.9832408 -0.7309679 -0.8837732 -0.91036274 0.91503088 6.68735451 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00094719-08 196722767 tox21-ror-cho-viability-p1 set3 4 29.8492948118 25.716703724 -0.716703724 25 2.5884283767 0.4866844943 0.1902705693 3.57479908 1.63674325 -9.36838812 -1.14853106 0.8523258 -16.01391977 -0.2912319 -1.93764401 0.77839953 4.65589373 4.31818185 2.32777282 0.87628776 5.80769873 18.73171964 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 100-97-0 4101 170465468 Z Methenamine C1N3CN2CN(CN1C2)C3 Tox21_113455_1 -NCGC00254743-01 196699073 tox21-ror-cho-viability-p1 set1 4 0.18611258 0.88066084 1.51873951 0.68014816 3.51053364 0.10133479 -0.04913999 -0.24512229 1.28893445 1.65601011 0.63878343 2.76256305 1.26444069 -0.33899787 3.16141503 5.869E-10 1.312E-9 2.935E-9 6.5619999999E-9 1.467E-8 3.281E-8 7.3359999999E-8 1.64E-7 3.668E-7 8.202E-7 0.000001834 0.000004101 0.0000091709999999 0.00002051 0.000045849999999 62-73-7 3039 144211157 CC Dichlorvos COP(=O)(OC)O\C=C(\Cl)Cl Tox21_300840 -NCGC00091088-05 196699076 tox21-ror-cho-viability-p1 set1 4 17.2289340586 -16.583776476 -2 -18.583776476 1.9673362061 0.7953495738 0.012227826 -2.78149543 -1.24254273 0.67458192 -3.90161206 -3.4482943 -4.47448104 0.81833703 -4.87778109 1.25775052 -2.99584446 -2.37252865 -2.64300869 -12.93911795 -15.06981373 -5.7610429 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00254987-01 196699484 tox21-ror-cho-viability-p1 set1 4 0.14700076 -0.18939175 2.75254075 0.77386885 0.66448661 -0.09316084 1.74879625 1.42545485 5.37725509 2.42913114 -0.884951 0.4503224 2.47198898 0.57527281 -1.11842431 5.309E-11 1.187E-10 2.654E-10 5.935E-10 1.327E-9 2.968E-9 6.636E-9 1.484E-8 3.3179999999E-8 7.419E-8 1.659E-7 3.71E-7 8.295E-7 0.0000018549999999 0.000004147 513-53-1 10560 144211403 FNS 2-Butanethiol CC(S)CC Tox21_301086 -NCGC00015209-11 196722343 tox21-ror-cho-viability-p1 set3 4 0.5955717307 15.5777886999 -2.0777886999 13.5 4.9549173134 0.6022356354 0.0951415222 -6.13139933 0.84316629 -0.25488215 6.55216242 -10.36452509 3.94472597 5.97752439 -15.89815725 -0.43537545 10.06131454 14.96065147 11.81197071 10.9203186 10.55646258 18.69383047 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6055-19-2 22420 170464624 A Cyclophosphamide O.O=P1(NCCCO1)N(CCCl)CCCl Tox21_110100_1 -NCGC00179599-03 196722748 tox21-ror-cho-viability-p1 set3 2.2 23.7101376556 57.7973493156 0.9144286424 58.711777958 1.4787409999 0.9600276457 0.0000024434 1.42716028 2.53409298 3.99404481 2.47305291 -1.88772184 -1.10697295 -0.5478763 -0.82082204 -2.59740697 5.09070356 3.90830424 7.05386216 13.97233599 23.61698653 46.7762529 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62893-20-3 23663974 170465235 A Cefoperazone sodium [Na+].O=C1C(=O)N(CC)CCN1C(=O)N[C@H](c2ccc(O)cc2)C(=O)N[C@@H]5C(=O)N4C(=C(CSc3nnnn3C)CS[C@@H]45)C([O-])=O Tox21_111367_1 -NCGC00015469-09 196722762 tox21-ror-cho-viability-p1 set3 4 0.2371013766 10.969327304 -2.969327304 8 2.6384283767 0.7844665799 0.0108818878 -0.38128162 -1.96566395 -3.30800156 -1.62573696 -4.92389229 -4.97443942 -1.15030405 0 5.71314219 6.93015842 9.40374905 3.67696821 6.31786369 6.32091678 15.74455803 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 29520-14-7 71401 170465381 A Guanfacine hydrochloride Cl.Clc1cccc(Cl)c1CC(=O)NC(=N)N Tox21_110159_1 -NCGC00022653-09 196723163 tox21-ror-cho-viability-p1 set3 2.4 33.4914596268 33.64705906 2.35294094 36 1.4641 0.6938308198 0.0409202285 -2.80430484 -0.39493862 6.58856217 6.65202744 3.41027125 -3.45588255 -1.57428501 6.75252415 -2.6360022 5.73315406 6.80145097 5.44095559 7.00382246 7.86529955 27.76027629 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25953-19-9 33255 170465254 B Cefazolin O=C(O)C=3N4C(=O)[C@@H](NC(=O)Cn1cnnn1)[C@H]4SCC=3CSc2nnc(C)s2 Tox21_111691_1 -NCGC00179244-03 196723170 tox21-ror-cho-viability-p1 set3 4 2.66151047 -0.6871684 0.91961709 0.67649089 -0.08656994 0.49734903 4.15502053 2.62044077 4.13505355 0.54251816 -1.63981524 -4.53472417 -0.21012886 -2.35356025 4.88445496 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 130693-82-2 6918132 170465119 Z Dorzolamide hydrochloride Cl.NS(=O)(=O)c1cc2[C@H](C[C@H](C)S(=O)(=O)c2s1)NCC Tox21_110720_1 -NCGC00164344-04 196723180 tox21-ror-cho-viability-p1 set3 2.4 18.8336317891 30.5 -0.5 30 0.3 0.6804765069 0.0474745695 1.3296057 1.31667043 0.30458423 0.10127549 7.01141906 2.81885216 1.94767448 3.68609065 11.10302604 11.32512769 12.90595899 5.45431308 7.68068761 12.5752463 22.85466738 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87-90-1 6909 170465634 F Symclosene ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O Tox21_112103_1 -NCGC00016523-05 196723579 tox21-ror-cho-viability-p1 set3 4 37.5780357627 23.0645677001 0.9354322999 24 4.9549173134 0.5682491002 0.1209679026 6.68768507 -1.02997641 5.97433048 -3.67897167 1.27565081 3.94605163 -3.41667287 0.51218513 -4.72666134 4.78407889 5.53059851 -5.88713975 0.31559534 1.08734675 18.8045865 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 606-17-7 3739 170464888 F Iodipamide O=C(Nc1c(I)c(c(I)cc1I)C(=O)O)CCCCC(=O)Nc2c(I)c(C(=O)O)c(I)cc2I Tox21_113504_1 -NCGC00357007-01 196723992 tox21-ror-cho-viability-p1 set3 -1.1 3.6610842836 -88.1124525956 1.0348406621 -87.0776119335 4.5044702849 0.9746050783 1.875E-7 0.21145508 -6.32349233 -2.90585964 3.56262165 1.71038397 -6.25185196 1.15275027 -0.68827446 -0.9134889 10.12485808 14.44765319 -5.22217727 -64.01458247 -84.78732853 -89.03641302 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 2597-93-5 17437 251919798 Ethyl(4,5,6,7,8,8-hexachloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)mercury ClC2=C(Cl)C3(Cl)C1C(C(=O)N([Hg]CC)C1=O)C2(Cl)C3(Cl)Cl Tox21_303854 -NCGC00017324-07 196717216 tox21-ror-cho-viability-p1 set2 -1.2 7.4978038628 -41.6798402679 -2.277222864 -43.9570631319 1.6266150999 0.9616751812 0.0000019312 1.93997318 -6.16042021 -2.26204725 -3.64693417 -3.14833761 -4.08712247 2.27445354 -0.96881898 -5.80942547 -5.80538647 -2.18958968 -12.66587148 -29.37349543 -37.15770108 -40.4977751 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79902-63-9 54454 170464984 A Simvastatin CC(C)(CC)C(=O)O[C@H]2C[C@@H](C)C=C3C=C[C@H](C)[C@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@@H]23 Tox21_110696_1 -NCGC00258357-01 196715967 tox21-ror-cho-viability-p1 set2 4 61.0062525823 -17.2181125159 2 -15.2181125159 4.4494702849 0.829923715 0.0040177893 -1.22658598 0.5023536 3.81360729 2.84825532 4.61542688 1.48719495 0.2177324 1.57047684 4.40850188 1.72052248 1.0288841 4.87200852 2.64914156 -0.6476192 -12.68176043 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.945E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.000003681 0.00000823 0.000018399999999 0.00004115 0.000092019999999 2818-69-1 76063 144208001 A A 5-Chloro-2-methyl-1H-benzimidazole Clc1ccc2nc(C)nc2c1 Tox21_200803 -NCGC00257972-01 196715986 tox21-ror-cho-viability-p1 set2 4 1.17206873 -3.53542306 -1.0383338 0.71981016 0.18499911 -3.86523181 1.19393045 -0.61550541 -0.25741138 -0.58320867 0.13409975 -0.25497794 -6.95485489 -0.31165708 0.98701116 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004107 0.00009184 111-92-2 8148 144207616 FC N-Butyl-1-butanamine CCCCNCCCC Tox21_200418 -NCGC00166006-02 196717211 tox21-ror-cho-viability-p1 set2 4 0.0000074978 12.686874132 -14.186874132 -1.5 4.9549173134 0.6622540985 0.0580583009 -11.82239511 -1.05402887 -3.94578592 -1.43723291 -1.43291651 -1.55659462 -3.29596536 0.62207817 -1.52778749 -5.83375567 -0.45504139 -0.83837471 -0.6716816 1.69366931 0.77707845 5.899E-12 1.319E-11 2.949E-11 6.595E-11 1.475E-10 3.2969999999E-10 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 56-89-3 67678 170465457 F L-Cystine N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O Tox21_112162_1 -NCGC00181111-02 196717221 tox21-ror-cho-viability-p1 set2 4 0.0074978039 -4.3593707799 1.5 -2.8593707799 4.9549173134 0.311448133 0.3603801382 2.27160222 2.16229502 -0.42301682 0.6952638 -5.92669619 -3.3778645 -7.79947565 0.99693548 -4.03858456 -3.16848204 0.3046188 -0.33222044 -0.37382884 0 -5.47197773 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94497-51-5 108143 170465883 A Tamibarotene O=C(O)c1ccc(cc1)C(=O)Nc2ccc3c(c2)C(C)(C)CCC3(C)C Tox21_112725_1 -NCGC00015451-05 196717226 tox21-ror-cho-viability-p1 set2 4 -3.70246093 0.19654043 -4.24449485 -0.27264145 -0.83156834 -1.82108797 0.30148229 -13.37254318 -1.88315328 -0.4801304 -0.23976105 -0.22636325 -1.96973781 -0.39844159 -1.78723545 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 75507-68-5 6435335 170466246 A Flupirtine maleate Nc1nc(ccc1NC(=O)OCC)NCc2ccc(F)cc2.O=C(O)/C=C\C(=O)O Tox21_111232_1 -NCGC00189074-03 196717231 tox21-ror-cho-viability-p1 set2 -2.2 11.8832183006 -46.84371841 3.054917778 -43.788800632 1.287561 0.945531257 0.0000134139 0.71793077 1.98025385 2.14994576 3.23169897 2.90010867 6.77887651 6.81237685 8.33584021 -1.45385416 -4.73881747 -0.1870551 -5.86515504 -15.50446148 -26.61376541 -40.56580423 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 212631-79-3 6918454 170466835 A PD-184352 O=C(NOCC1CC1)c3ccc(F)c(F)c3Nc2ccc(I)cc2Cl Tox21_113363_1 -NCGC00018200-12 196717629 tox21-ror-cho-viability-p1 set2 4 -4.02313019 -0.7751298 -3.38917032 -9.04762206 2.15237486 1.20311777 -1.44836194 -1.03517878 -5.80043026 -3.28869958 1.40510247 -1.65465619 -4.21708847 0.5170525 -2.1524732 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77-09-8 4764 170465559 A Phenolphthalein Oc1ccc(cc1)C3(OC(=O)c2ccccc23)c4ccc(O)cc4 Tox21_110838_1 -NCGC00186628-02 196717630 tox21-ror-cho-viability-p1 set2 4 0.1883363179 4.222913732 -2.222913732 2 3.9899729863 0.4179801117 0.2579200957 0.77443365 0.37576451 -1.0518682 -1.88221599 -8.10242811 -0.14308573 -5.40606333 -0.13910539 1.7307785 1.6485234 4.5385237 0.76812719 0.37424371 1.73516053 1.79174567 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 149-64-4 6852391 170465685 A Butylscopolamine bromide [Br-].OC[C@H](c1ccccc1)C(=O)O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N+]3(C)CCCC Tox21_112031_1 -NCGC00160483-02 196717643 tox21-ror-cho-viability-p1 set2 4 14.9600854925 -11.3730464319 2.5 -8.8730464319 1.8616924601 0.8124947848 0.0061905094 1.93044605 0.51201177 0.21533049 5.8225001 0.47656281 3.24406095 3.45567696 4.32266444 2.8324233 2.83735917 2.23843748 0.74876772 -0.07320406 -5.07621217 -7.39420536 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33414-30-1 969494 170466222 D Ftormetazine CN1CCN(CC1)CCC(=O)N2c4ccccc4Sc3ccc(cc23)C(F)(F)F Tox21_111845_1 -NCGC00164168-02 196717644 tox21-ror-cho-viability-p1 set2 4 2.41391392 2.49459542 1.60238157 3.53899377 3.16411054 2.7921672 1.23192095 -2.1255232 1.66110218 0.36554937 0.06142997 -1.83989222 1.98925909 0.94884714 1.14451669 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 744-45-6 69779 144213984 A A Diphenyl isophthalate O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3 Tox21_400023 -NCGC00090773-04 196717646 tox21-ror-cho-viability-p1 set2 4 0.21419525 -1.13308798 1.18158315 1.8345893 -7.91984634 -1.55337046 -1.16499093 0.05036505 -0.14415706 1.17407162 2.26568796 0.30920245 1.48472498 2.49607407 1.78636241 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00164540-02 196726027 tox21-ror-cho-viability-p1 set3 1.2 4.7307944147 66.3484291189 0.4543640139 66.8027931328 0.6999999999 0.8978601729 0.0003573841 2.51771701 0.19420541 -0.16920099 0.75603668 -0.72398336 2.60512706 4.24255278 2.57848661 19.10015951 14.25175639 30.34305756 13.07487924 48.76894862 56.04457618 54.74644605 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1223-36-5 28554 170466292 A Clofexamide Clc1ccc(OCC(=O)NCCN(CC)CC)cc1 Tox21_112169_1 -NCGC00159416-04 196726022 tox21-ror-cho-viability-p1 set3 4 9.4391758155 -6.914007608 4.5 -2.414007608 1.2221 0.3287736438 0.3426304726 4.8647672 4.68590981 1.6922874 0.51149726 4.16501709 2.17925706 6.35970674 9.16864078 11.99916329 1.66482626 2.94469591 1.52006706 2.44914899 -0.73707509 -1.59500634 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 434-22-0 9904 170466348 A Nandrolone O=C4CC[C@H]3C(CC[C@@H]1[C@@H]3CC[C@]2(C)[C@@H](O)CC[C@@H]12)=C4 Tox21_113167_1 -NCGC00257036-01 196726442 tox21-ror-cho-viability-p1 set3 4 1.25390962 -1.66137525 0 0.47240006 0.87026545 1.41871226 10.220991 9.99776728 0.41431268 0.52739569 -1.71825102 0.5993937 1.86007458 -1.00034203 -1.44986398 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 108-98-5 7969 144213574 F Ac Benzenethiol Sc1ccccc1 Tox21_303257 -NCGC00256462-01 196726855 tox21-ror-cho-viability-p1 set3 4 0.84231926 0.43930443 0.25244495 2.46721089 0.2027097 0.35170846 2.62012822 0.55625784 4.99242548 0.50032346 3.91278736 6.99834284 0.78666611 3.03752112 5.09618517 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 818-61-1 13165 144213285 A A 2-Hydroxyethyl acrylate C=CC(=O)OCCO Tox21_302968 -NCGC00256805-01 196726874 tox21-ror-cho-viability-p1 set3 4 0.0048557734 6.601172212 -5.601172212 1 4.9549173134 0.3892572492 0.2846826379 -0.70479391 -10.91764351 1.04633231 -0.78010649 -2.40185796 0.26115611 1.43862867 3.5462646 3.40659669 -0.7299203 0.78431515 2.05132731 2.70358986 -1.51116491 -0.93581293 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 25209-66-9 91333 144212961 A A N,N-Bis(2-hydroxyethyl)formamide O=CN(CCO)CCO Tox21_302644 -NCGC00256793-01 196727280 tox21-ror-cho-viability-p1 set3 4 -2.9021661 -2.02224381 -0.55545 3.12259016 -2.22650025 0.22709169 -0.9084826 -0.63072414 -0.46938364 0.32597841 3.47328109 0.05751695 -1.174517 -2.66384188 -4.24700559 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 502-61-4 5281516 144213931 F Fns alpha-Farnesene C/C(C)=C\CCC(\C)=C\C\C=C(/C)C=C Tox21_303626 -NCGC00256865-01 196727289 tox21-ror-cho-viability-p1 set3 4 5.4482673282 5.836259692 -4.336259692 1.5 4.9549173134 0.4834323954 0.1953339546 -1.51904811 0.01979888 -6.54483621 -7.01484709 -5.53412145 -4.66930033 -7.78021641 -0.43172457 -1.14371091 -5.49422212 -5.47962266 3.09029423 1.04964883 0.05719182 1.21541744 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 17526-94-2 87146 144212990 F F 3,3'-(4-Methylbenzene-1,3-diyl)bis(1,1-dimethylurea) O=C(Nc1cc(ccc1C)NC(=O)N(C)C)N(C)C Tox21_302673 -NCGC00257115-01 196727293 tox21-ror-cho-viability-p1 set3 4 -0.60923684 -4.08156606 -4.45884076 -6.19240896 0.17497803 -4.44718433 -3.63751124 -1.97322004 0.2967748 -1.74893273 -0.23148819 -0.16332097 2.43529263 -4.58248558 0.06029383 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 4131-74-2 77781 144213592 A A Dimethyl 3,3'-thiodipropionate COC(=O)CCSCCC(=O)OC Tox21_303275 -NCGC00257366-01 196727689 tox21-ror-cho-viability-p1 set3 4 0.60565234 2.11884483 -0.12963587 2.15660958 3.82520149 0.26544399 4.09508902 0.72384867 4.82675162 5.82843656 5.80863188 1.52242554 2.92408212 2.98210267 -0.17214398 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-08-6 66743 144213786 A F Ethyl 4-methylbenzoate O=C(OCC)c1ccc(C)cc1 Tox21_303476 -NCGC00256831-01 196727695 tox21-ror-cho-viability-p1 set3 4 -0.18678199 -2.36170861 -2.32313405 0.98354369 -3.09164499 -4.63037522 -2.671005 0.93460752 1.65638161 -3.72052061 2.36039272 -3.64684465 -4.4543302 -2.18209544 -8.53809707 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78761-38-3 5355850 144212761 A D (2E)-3-Phenylprop-2-en-1-yl propanoate CCC(=O)OC\C=C\c1ccccc1 Tox21_302444 -NCGC00256923-01 196727701 tox21-ror-cho-viability-p1 set3 4 3.18638124 12.6355453 -0.58494851 2.12224759 -0.65157384 2.86476663 -13.98705258 -2.71578805 -14.83646048 -3.93362961 -2.19222522 2.59331903 5.0973565 3.92320071 1.71569802 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-21-5 7742 144212993 A A 1,4-Heptanolide O=C1CCC(CCC)O1 Tox21_302676 -NCGC00256715-01 196726949 tox21-ror-cho-viability-p1 set3 4 0.59295556 -1.40323995 0.23682545 -0.53338585 -0.83622266 -1.39911152 -1.57548475 2.94259323 7.9111214 -0.21386633 -0.22509661 0.4894915 -1.3360981 -0.81832576 1.46649068 1.226E-9 2.742E-9 6.131E-9 1.371E-8 3.065E-8 6.854E-8 1.5329999999E-7 3.4269999999E-7 7.663E-7 0.0000017139999999 0.000003832 0.000008568 0.00001916 0.00004284 0.00009579 41395-83-9 38855 144213927 A Bc Propylene glycol dipelargonate CC(COC(=O)CCCCCCCC)OC(=O)CCCCCCCC Tox21_303622 -NCGC00163771-03 196726938 tox21-ror-cho-viability-p1 set3 4 -0.33318676 -6.29017074 -5.9325407 0.42474192 -0.26436093 -1.9035634 -0.8979316 -0.96061848 2.84126785 -0.78754635 -0.98386182 1.26604757 0.10982577 -0.00969982 2.15854045 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.593E-8 1.474E-7 3.297E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008241 0.000018429999999 0.00004121 0.00009214 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00256377-01 196726939 tox21-ror-cho-viability-p1 set3 4 -22.27617008 -2.37942524 -0.93624281 2.18627397 -25.56470674 -5.23612774 -1.06635072 -3.11570712 -1.4216105 -3.2418233 -0.21131823 -6.33715431 -4.7026786 1.04260797 1.27811441 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2516-40-7 612040 144213130 A Ac 2-Bromobenzothiazole Brc1nc2ccccc2s1 Tox21_302813 -NCGC00357125-01 196711252 tox21-ror-cho-viability-p1 set2 4 0.086349218 -8.2925317119 2.5 -5.7925317119 4.9549173134 0.3579442052 0.3281710736 1.43856803 1.7764838 2.81417694 -0.01002118 3.75319132 2.99825677 -11.1182077 3.80058293 -1.88977065 -12.83105887 -11.68275808 0 0.43247193 -13.57710976 5.97727296 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-31-9 8106 251919852 F 1-Hexanethiol CCCCCCS Tox21_303860 -NCGC00356992-01 196711238 tox21-ror-cho-viability-p1 set2 2.4 43.2771256911 31 3 34 0.7999999999 0.8994974544 0.0003319524 2.54037069 5.81143757 2.79888661 3.48495861 0.52132381 4.45011529 1.21973433 1.50992925 4.74166847 4.65261068 8.84924231 11.47980523 11.03034489 14.55619077 26.699318 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 147150-35-4 86453 251919716 C Cloransulam-methyl O=C(OC)c3cccc(Cl)c3NS(=O)(=O)c1nc2cc(F)nc(OCC)n2n1 Tox21_304004 -NCGC00163906-02 196711243 tox21-ror-cho-viability-p1 set2 2.4 38.5707788719 25.5 2.5 28 1.0999999999 0.839679411 0.0030601843 0.07569742 6.55246626 3.73018216 0.83704732 1.02669868 0.87796027 6.27994966 4.17225463 0.35875409 0.79521313 6.45257619 7.85050082 10.93302145 11.90274319 23.54365165 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00356956-01 196711251 tox21-ror-cho-viability-p1 set2 2.2 48.5577336745 52.3734157579 -1.116901112 51.2565146459 1.9673362061 0.9441237452 0.0000154133 -2.44235991 -5.51408426 -3.79292459 -2.2124148 -3.65237746 2.09304794 -2.90432174 1.01485209 5.73398343 -3.24656361 -0.58674636 1.84720134 4.29251714 21.85377375 39.12640245 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110553-27-0 113646 251919784 A 2-Methyl-4,6-bis[(octylthio)methyl]phenol Oc1c(C)cc(cc1CSCCCCCCCC)CSCCCCCCCC Tox21_304010 -NCGC00260227-01 196711649 tox21-ror-cho-viability-p1 set2 4 76.7240916596 23.5359312 -1.5359312 22 4.9549173134 0.4557587186 0.2188681103 -1.2574698 1.4175527 -1.88706153 0.49220397 0.62869593 -1.92800103 -10.30736468 -15.863276 3.02000706 2.18429369 -0.09680639 1.65890908 1.45772497 -3.23331807 16.57508119 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.3529999999E-7 0.0000016439999999 0.0000036769999999 0.000008221 0.000018379999999 0.00004111 0.00009192 26576-85-2 12248306 144209877 A Z 1-Butyl-3-methylpyridinium bromide [Br-].Cc1ccc[n+](CCCC)c1 Tox21_202679 -NCGC00357178-01 196711650 tox21-ror-cho-viability-p1 set2 2.4 61.130564862 30.62136174 -1.62136174 29 4.5044702849 0.9317078987 0.0000453587 -2.00911672 -1.08192906 -1.61459953 -2.4067251 -2.3373799 -0.08906837 -3.21886008 -0.28532881 -2.98031464 -4.26780145 2.71880133 -2.2319667 1.90146685 2.73232957 25.01130747 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2479-46-1 17201 251919891 1,3-Bis(4-aminophenoxy)benzene Nc1ccc(cc1)Oc3cccc(Oc2ccc(N)cc2)c3 Tox21_303941 -NCGC00260203-01 196711653 tox21-ror-cho-viability-p1 set2 2.4 30.7625294801 18 2 20 0.4 0.7593775746 0.0169833967 1.34144115 1.60298541 0.51318343 3.02235598 3.93174303 1.48941522 7.67539164 6.83660733 6.87745025 5.79128064 5.83648141 5.54881774 7.53436303 13.70339836 15.87705952 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004135 0.00009247 85100-76-1 60196377 144209853 F F 1-Methyl-3-propylimidazolium bromide Br.CCCN1C=CN(C)C1 Tox21_202655 -NCGC00260382-01 196711657 tox21-ror-cho-viability-p1 set2 4 0.4349727202 -17.1090637599 -0.5 -17.6090637599 4.9549173134 0.6835548173 0.0555168848 0.99313222 -0.03859456 -0.88269967 -5.67739247 -1.27240854 -0.0872553 0 -0.3911787 -28.4242198 -15.87566796 -25.87514638 -6.23060063 -17.94832689 -11.46753649 -6.64317096 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.961E-8 6.622E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001655 0.000003702 0.0000082769999999 0.00001851 0.00004139 0.00009254 494-19-9 10308 144210034 A A 10,11-Dihydro-5H-dibenz[b,f]azepine c1cc2Nc3ccccc3CCc2cc1 Tox21_202836 -NCGC00015675-08 196711659 tox21-ror-cho-viability-p1 set2 4 1.0870722482 22.3716652639 -2.8716652639 19.5 0.2 0.506591389 0.1729801149 -0.05545125 -0.21319318 -0.72638772 7.69578723 7.38109548 8.26370067 9.8502167 7.44610377 11.63021592 0.92163124 7.12451393 6.75360326 9.36882898 16.55480802 15.32676988 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00260640-01 196712070 tox21-ror-cho-viability-p1 set2 4 29.8492948118 13.5360913279 -1.5360913279 12 3.6772481694 0.7097431803 0.0344769684 1.15587933 -0.52968544 0.08332517 -3.71716751 -0.82024243 -0.35276499 -4.12451613 -0.26043813 -4.61340944 0.02517408 -0.40241757 -3.9786974 0.57867453 1.3585444 9.83857346 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49536 144210293 M M NTP Mix116 ER1 10-EQC Tox21_203095 -NCGC00254331-01 196719608 tox21-ror-cho-viability-p1 set3 4 0.0172289341 8.5635870359 -10.5635870359 -2 0.7 0.5129183224 0.1688675034 -7.38796711 -12.13632253 -8.19594768 -1.98980337 -7.25825254 -6.68539753 -3.30010906 -3.87525816 1.38206612 -4.10829597 0.53540956 -4.15497869 -4.03086752 -2.53533336 -2.84056163 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1191-50-0 23665770 144210694 A A Sodium myristyl sulfate [Na+].[O-]S(=O)(=O)OCCCCCCCCCCCCCC Tox21_300376 -NCGC00256649-01 196719182 tox21-ror-cho-viability-p1 set2 4 0.6851987566 5.999038644 -5.499038644 0.5 1.3437170999 0.5323327159 0.168073661 -6.91353746 -4.25228835 -6.02382258 -1.82398476 -8.74919887 -7.44036924 -2.9172634 -3.47367937 -4.19319595 1.32034198 -0.67552343 -3.69127791 4.85699454 -0.45093103 -3.98606377 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 1638-22-8 15420 144212911 A A 4-Butylphenol Oc1ccc(CCCC)cc1 Tox21_302594 -NCGC00167558-02 196698268 tox21-ror-cho-viability-p1 set1 4 0.16785492 6.3452568639 -3.3452568639 3 1.2221 0.6822659268 0.0472273189 -3.11420482 -2.28096805 -6.95438072 -0.27370738 -3.96158931 -2.70804543 -1.13773885 0.54712788 0.00005721 0.19106103 6.29855584 4.66806345 4.26287495 1.16133845 1.36800764 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79660-72-3 3357 170466056 A Fleroxacin CN1CCN(CC1)c2c(F)c3c(cc2F)C(=O)C(=CN3CCF)C(=O)O Tox21_112553_1 -NCGC00142580-05 196697861 tox21-ror-cho-viability-p1 set1 4 0.03531555 -5.50381983 2.64213189 0.05542662 -2.02175571 -0.0247971 -0.09504289 -0.16778102 -3.36821411 -2.25765318 -0.13075997 0.84091401 1.53348829 0.12650937 2.68023637 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66-72-8 1050 170466865 Z Pyridoxal Oc1c(C=O)c(cnc1C)CO Tox21_111561_1 -NCGC00273481-01 196697862 tox21-ror-cho-viability-p1 set1 -2.4 26.6032120037 -34.467076824 2 -32.467076824 1.8079476909 0.8721310393 0.0010728659 1.09507839 2.36703861 3.42736957 1.16752184 1.72503216 0.96303831 0.71358277 6.49043219 1.16358266 0.86033173 4.27072809 -6.73375843 0.44631322 -10.75172447 -23.72256402 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1553-34-0 64722 170465287 A Metixene hydrochloride Cl.CN1CCCC(C1)CC2c4ccccc4Sc3ccccc23 Tox21_110510_1 -NCGC00091635-09 196697863 tox21-ror-cho-viability-p1 set1 4 -2.93138546 3.69679827 0.30359435 0.14218564 0.09347521 -2.70836624 -0.16544176 1.24627778 0.92660652 3.31726051 3.24194785 2.5891138 3.28517892 1.45011238 1.53364131 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55-38-9 3346 170466807 A Fenthion Cc1cc(ccc1SC)OP(=S)(OC)OC Tox21_111157_1 -NCGC00183017-01 196698269 tox21-ror-cho-viability-p1 set1 4 -1.71016487 -2.21085394 0.02045487 -3.44474363 2.34467791 0.35628766 -1.76466202 2.22301516 -0.10083485 -3.27959308 0.01938974 -2.46586382 1.04589676 -2.9005275 -4.09350041 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 546-71-4 66067 144206877 A A Ethyl 4-nitrophenyl ethylphosphonate [O-][N+](=O)c1ccc(OP(=O)(OCC)CC)cc1 Tox21_113326 -NCGC00090987-03 196698277 tox21-ror-cho-viability-p1 set1 4 -1.32569096 1.5228104 0.25925406 1.12393083 -0.51093367 0 3.91671704 1.38679389 -0.11400484 1.33304929 -0.20032232 1.0634478 2.35244134 2.85922366 1.92580582 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00255083-01 196720756 tox21-ror-cho-viability-p1 set3 4 8.63987786 1.29277135 3.12017073 1.43275108 3.3186781 2.05055156 0 13.40981113 0.22091076 0.92641146 0.4073278 7.86063149 6.98719454 5.4899061 -3.27429033 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 94361-06-5 86132 144211502 I I Cyproconazole OC(Cn1cncn1)(C(C)C2CC2)c3ccc(Cl)cc3 Tox21_301185 -NCGC00091088-05 196720745 tox21-ror-cho-viability-p1 set3 4 -5.15324173 -7.45924052 2.67565806 -2.33785275 2.30167128 1.63825123 -5.85987389 -6.12117108 -2.99747825 -5.7756856 -2.58546761 -0.18660413 -2.16820216 -13.40703569 2.38745453 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00254374-01 196720748 tox21-ror-cho-viability-p1 set3 4 0.273060203 6.0816580719 -4.0816580719 2 2.8472712143 0.4512138928 0.2241794369 -9.23471506 1.26505602 -1.04531535 -0.66805562 -7.64080814 -9.17521081 -0.67955917 -1.84368765 4.33965102 1.91216211 1.51176548 5.83077768 0.63489355 -0.27170699 0.87174385 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22915-73-7 261668 144210843 F Hexane-1,6-diyl dibenzoate O=C(OCCCCCCOC(=O)c1ccccc1)c2ccccc2 Tox21_300525 -NCGC00254709-01 196720752 tox21-ror-cho-viability-p1 set3 -2.1 54.4826732819 -82.6764346672 0.550481824 -82.1259528432 3.1924983358 0.9819547696 2.62E-8 0.79467122 1.40121547 -1.10930648 5.25120745 0.73973481 2.09981459 -1.92645186 -3.23662319 5.460369 -0.57969191 -1.39534188 -2.03957416 0.31604276 -23.8989439 -69.03481276 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2312-35-8 4936 144211122 I I Propargite CC(C)(C)c1ccc(cc1)OC2CCCCC2OS(=O)OCC#C Tox21_300805 -NCGC00254345-01 196720757 tox21-ror-cho-viability-p1 set3 4 0.1368542878 18.31580794 -20.2721546799 -1.9563467399 0.5 0.7325592313 0.0251740346 -17.00463052 -21.0601289 -12.35451018 -20.71143342 -16.05880617 -9.57557106 -12.02368901 -10.01969978 -2.8800337 -2.13090136 -9.87977592 -10.18417216 -2.41906362 -1.08704459 -0.38028895 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-43-4 7810 144210664 FNS 4-Chlorotoluene Cc1ccc(Cl)cc1 Tox21_300346 -NCGC00254762-01 196720765 tox21-ror-cho-viability-p1 set3 4 12.68321673 14.67487293 7.62875934 10.47247641 15.44487381 10.82259639 0 18.31622096 17.06926732 10.15589211 14.23300496 -3.89653277 17.41253179 1.3547462 1.33096515 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60207-90-1 43234 144211176 A A Propiconazole Clc1ccc(c(Cl)c1)C3(Cn2ncnc2)OCC(CCC)O3 Tox21_300859 -NCGC00257121-01 196719333 tox21-ror-cho-viability-p1 set2 4 27.2782538257 -14.6784269919 2.5 -12.1784269919 3.2974983358 0.8504085321 0.0022462347 -0.46017222 0.36215675 2.7861338 0.23760617 1.936118 4.47947176 0.19377282 6.03580882 4.21686677 4.50677982 4.46776298 2.67097845 -1.18032136 -8.20722221 -12.64868916 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 1330-61-6 14899 144213402 Z F Isodecyl acrylate C=CC(=O)OCCCCCCCC(C)C Tox21_303085 -NCGC00257468-01 196718879 tox21-ror-cho-viability-p1 set2 4 27.3060203028 -19.167069628 2 -17.167069628 1.111 0.8779720261 0.0008641066 1.84710566 1.58825207 0.16729314 0.68945431 0.1978107 3.33800246 0.08863123 6.30311311 3.08415888 1.07670821 1.5235728 -4.0402312 -5.59387553 -8.06135994 -13.88922469 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 151506-44-4 132932 144213727 A A FR140423 CS(=O)c1ccc(cc1)c3cc(nn3c2ccc(OC)cc2)C(F)F Tox21_303416 -NCGC00256725-01 196719316 tox21-ror-cho-viability-p1 set2 4 3.4376242854 6.0572871799 -3.0572871799 3 1.6266150999 0.433988301 0.2410469006 1.36707121 -1.19974779 -5.63936721 2.50108154 -5.86260313 -6.1149048 -8.38107265 -0.50583443 -4.65155688 0.32474309 -0.86724121 2.30628685 2.51067195 3.47010228 2.65432841 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 933-48-2 1550823 144212900 A F (1R,5R)-3,3,5-trimethylcyclohexanol CC1(C)C[C@@H](C)C[C@@H](O)C1 Tox21_302583 -NCGC00256691-01 196719330 tox21-ror-cho-viability-p1 set2 4 -3.06895614 -6.27639813 -6.14831535 -2.63094977 -0.72715837 -9.8550002 -2.55730849 -1.79559414 -0.48014675 -6.03513064 -1.57015444 -0.41188691 -2.85320682 -0.20635534 -5.64732197 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 141-25-3 81263 144212942 Ac F Rhodinol CC(=C)CCC[C@H](C)CCO Tox21_302625 -NCGC00257023-01 196719336 tox21-ror-cho-viability-p1 set2 4 -3.02631911 1.28734733 -2.66387479 0.30514289 -4.50034402 -10.35292336 -3.45537547 -1.70539817 -4.91001301 -5.62375475 0.39609522 -3.17168286 -1.36801646 -2.29338972 -1.78731232 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 5332-73-0 1672 144213382 Fns 3-Methoxypropylamine NCCCOC Tox21_303065 -NCGC00255062-01 196720149 tox21-ror-cho-viability-p1 set3 4 0.4327675 -0.70304037 5.02038945 -0.93765312 3.69636164 -6.56972921 5.24443508 1.94141111 9.90078581 -0.25859452 -2.83822342 9.48464698 -5.22841238 5.03989384 2.0284387 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23950-58-5 32154 144211481 A A Propyzamide Clc1cc(cc(Cl)c1)C(=O)NC(C)(C)C#C Tox21_301164 -NCGC00254191-01 196720152 tox21-ror-cho-viability-p1 set3 4 3.09184631 2.30622903 8.78939138 4.37875279 -4.49412862 11.99691712 -7.18142485 -2.58703307 -3.10362079 14.77289071 -7.42849483 11.09666049 -6.19634841 1.99438527 13.20370002 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47248 9865514 144210523 A A CI-1018 Cc2cc3C(=N[C@@H](NC(=O)c1ccncc1)C(=O)N4CCc(c2)c34)c5ccccc5 Tox21_300203 -NCGC00015226-12 196717256 tox21-ror-cho-viability-p1 set2 4 2.76273594 0.43326468 0.32283913 0.45990659 0.9016935 0.48796188 5.13948555 0.55898429 0.67395892 0.09013023 1.19381608 0.09721321 -0.5100242 0.46550907 -0.15949728 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53-19-0 4211 170464927 F Mitotane Clc2ccccc2C(C(Cl)Cl)c1ccc(Cl)cc1 Tox21_110103_1 -NCGC00165999-03 196717236 tox21-ror-cho-viability-p1 set2 4 1.29544181 0.39536154 1.08245052 5.07647638 5.13172883 6.65824759 -0.13631401 4.474253 4.6054993 2.25866477 3.26765285 5.93530123 -0.65845531 1.06837506 1.86155184 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 100-88-9 7533 170466502 A Cyclamic acid OS(=O)(=O)NC1CCCCC1 Tox21_112285_1 -NCGC00168266-02 196717240 tox21-ror-cho-viability-p1 set2 4 18.8679954307 10.9972582839 -4.4972582839 6.5 4.0949729863 0.6216719995 0.0822960038 -4.30490305 -6.61571824 0.41854071 -5.99314314 -6.18444342 -5.91054671 -1.96272087 -0.4564647 -6.85349549 -9.58104857 0.09509807 -2.83479399 2.43698689 9.43027188 3.33452047 1.4009999999E-9 3.133E-9 7.005E-9 1.566E-8 3.502E-8 7.831E-8 1.751E-7 3.916E-7 8.756E-7 0.0000019579999999 0.000004378 0.0000097889999999 0.00002189 0.00004895 0.0001094 64057-70-1 71285 144206442 A A 1-(1,3-Benzodioxol-5-yl)-N-methylpropan-2-amine hydrochloride Cl.CC(NC)Cc1ccc2OCOc2c1 Tox21_112889 -NCGC00016913-14 196717254 tox21-ror-cho-viability-p1 set2 -2.2 29.8492948118 -65.8804452539 -3.116746322 -68.9971915759 4.0949729863 0.9581503925 0.0000031523 1.58647024 -2.87095791 -10.60476166 -2.3516254 0.87869253 -5.65602851 -1.81982013 -4.25981675 0.54211375 -3.23140115 -6.29041523 -1.08280383 -3.14990611 -14.51154225 -59.58099298 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68844-77-9 2247 170465888 A Astemizole Fc1ccc(cc1)Cn4c5ccccc5nc4NC3CCN(CCc2ccc(OC)cc2)CC3 Tox21_110680_1 -NCGC00182054-03 196717258 tox21-ror-cho-viability-p1 set2 4 26.6032120037 -10.289635656 0 -10.289635656 4.9549173134 0.4232721722 0.2511237728 0.79067068 0.4926523 1.96625914 2.01296201 0.70642769 -0.30862343 -9.76788138 -2.45303638 2.06111076 2.54471045 0.6453237 2.38317376 1.98827012 -2.2004932 -9.82469638 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 86780-90-7 2225 170465977 B Aranidipine CC=1NC(C)=C(C(C=1C(=O)OCC(C)=O)c2ccccc2[N+]([O-])=O)C(=O)OC Tox21_113003_1 -NCGC00255463-01 196728544 tox21-ror-cho-viability-p1 set3 4 0 -0.79593903 2.39782322 1.77551142 2.00226656 -2.24863596 4.11732679 2.98355195 5.14736878 -0.04707682 -1.86638778 -2.30456925 -0.2273824 4.81573033 2.11075143 3.657E-10 8.178E-10 1.8289999999E-9 4.0889999999E-9 9.143E-9 2.044E-8 4.571E-8 1.0219999999E-7 2.286E-7 5.111E-7 0.000001143 0.0000025559999999 0.000005714 0.00001278 0.00002857 15707-24-1 27458 144212137 A F 2,3-Diethylpyrazine CCc1nccnc1CC Tox21_301820 -NCGC00255198-01 196728542 tox21-ror-cho-viability-p1 set3 4 19.3311819617 -15.069959332 3 -12.069959332 0.2 0.3970731346 0.2768031265 -0.9240191 5.5747963 0.01168611 -1.82509411 -0.3614605 -0.06722576 1.1823502 -7.70859605 -0.28769592 -2.35334417 -0.59867131 -6.10908781 -1.54054912 -3.34289726 -9.22496611 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7212-44-4 8888 144211699 Z Nerolidol C/C(C)=C\CCC(C)=CCCC(C)(O)C=C Tox21_301382 -NCGC00255217-01 196728941 tox21-ror-cho-viability-p1 set3 4 -0.3241636 5.86347681 -1.17822565 -8.466986 1.2114315 0.44021905 1.66228199 -2.60964705 -0.38269952 -2.03922551 -1.50218037 -1.127551 -5.50802893 0.62693193 4.81924221 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63133-74-4 113027 144212070 A A 2-(Ethyl(3-methylphenyl)amino)acetonitrile CCN(CC#N)c1cc(C)ccc1 Tox21_301753 -NCGC00256098-01 196728961 tox21-ror-cho-viability-p1 set3 1.4 0.0021689943 17.4533943599 -16.4533943599 1 3.5722481694 0.7603549675 0.016678584 -14.5444953 -4.74992531 0.99801729 -1.9251276 0.95493124 0.90200165 3.42755576 -0.89623168 2.07348933 1.45152904 0.86407332 -3.00555537 0.69404222 -0.76766748 7.12785492 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-17-5 67060 144212015 A A 3-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid O=S(=O)(O)c1cccc(c1)N2N=C(C)CC2=O Tox21_301698 -NCGC00258490-01 196729372 tox21-ror-cho-viability-p1 set3 4 -0.54464269 0.19383515 -0.35890467 0.48974593 0.25153783 1.40636761 0.42019139 -2.75291896 0.40200051 1.35071365 -2.88248041 -8.42037939 -5.47781271 -2.05278701 -1.90447133 1.191E-9 2.664E-9 5.9569999999E-9 1.332E-8 2.978E-8 6.66E-8 1.489E-7 3.33E-7 7.446E-7 0.000001665 0.0000037229999999 0.0000083249999999 0.00001861 0.00004162 0.000093069999999 31138-65-5 23664054 144208134 A D-Gluco-heptonic acid, monosodium salt [Na+].O[C@H]([C@@H](O)[C@@H](O)C([O-])=O)[C@H](O)[C@H](O)CO Tox21_200936 -NCGC00257556-01 196729378 tox21-ror-cho-viability-p1 set3 4 -2.69483417 0.24894594 -11.4942772 1.72821247 -2.18088722 2.46348551 -2.6737562 -22.95862713 -1.80693604 0 -2.14704872 -4.76853327 1.09926352 -2.4614319 0.18854982 1.137E-9 2.543E-9 5.6849999999E-9 1.271E-8 2.843E-8 6.356E-8 1.421E-7 3.178E-7 7.1069999999E-7 0.000001589 0.0000035529999999 0.000007946 0.000017769999999 0.000039729999999 0.000088829999999 110-02-1 8030 144207200 FC Thiophene c1cccs1 Tox21_200002 -NCGC00257875-01 196729773 tox21-ror-cho-viability-p1 set3 4 -2.61792347 -0.02890518 -11.43991565 0.30083585 -0.87481644 -3.07084646 -4.99125178 -12.059365 -6.39614008 -1.09533517 0 0 -5.82935391 -2.66402367 0.53837502 1.175E-9 2.626E-9 5.873E-9 1.3129999999E-8 2.936E-8 6.566E-8 1.468E-7 3.2829999999E-7 7.341E-7 0.000001641 0.0000036699999999 0.000008207 0.00001835 0.00004104 0.00009176 50-79-3 5784 144207519 A A 2,5-Dichlorobenzoic acid OC(=O)c1cc(Cl)ccc1Cl Tox21_200321 -NCGC00258055-01 196730187 tox21-ror-cho-viability-p1 set3 4 54.4272718766 -23.00662246 -1 -24.00662246 1.0999999999 0.874913328 0.0009743875 -2.14541608 -1.29262689 0.49208743 -1.49279339 -1.04305223 -0.79792558 -1.8601747 -1.34280798 0.82969084 0.01674106 -4.48725754 -4.53750225 -7.48851775 -6.81519571 -18.33885205 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.947E-8 6.591E-8 1.474E-7 3.295E-7 7.368E-7 0.000001648 0.000003684 0.000008238 0.00001842 0.00004119 0.00009211 4247-02-3 20240 144207699 A A Isobutylparaben Oc1ccc(cc1)C(=O)OCC(C)C Tox21_200501 -NCGC00257608-01 196730192 tox21-ror-cho-viability-p1 set3 4 -2.86393447 1.55456283 -16.49496466 -13.32315604 0 -0.18057862 -1.88189158 -8.01463596 0 0 0 0 -8.19646713 -4.00156292 -1.59317598 1.16E-9 2.594E-9 5.8009999999E-9 1.297E-8 2.9E-8 6.486E-8 1.45E-7 3.2429999999E-7 7.251E-7 0.000001621 0.0000036259999999 0.0000081069999999 0.000018129999999 0.000040539999999 0.00009064 41253-21-8 4649906 144207252 A A 1,2,4-Triazole, sodium salt [Na+].[n-]1cncn1 Tox21_200054 -NCGC00255249-01 196728621 tox21-ror-cho-viability-p1 set3 4 1.5355303643 -8.515895528 7.5 -1.015895528 3.9294729863 0.4556063606 0.219232057 0.64761917 13.21866978 9.70382494 10.60635476 8.30849659 -0.13990472 2.08854352 10.12325235 14.80886761 1.19318436 1.96946852 -0.12628439 -1.19414388 0.79466006 -5.42991294 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88107-10-2 3969 144212729 A A Tomelukast CC(=O)c2ccc(OCCCCc1nnnn1)c(CCC)c2O Tox21_302412 -NCGC00255277-01 196728200 tox21-ror-cho-viability-p1 set3 1.2 4.3080972976 55.0268742141 3.785948041 58.8128222551 2.2526478767 0.9176804863 0.0004634149 1.29934631 12.22861974 10.99807888 13.24081115 2.52861894 -0.62670505 0.09481308 0.24777141 1.77498433 1.25693608 23.45606546 50.26158214 53.99335394 31.91365173 -18.80030793 1.0679999999E-9 2.3869999999E-9 5.3379999999E-9 1.1939999999E-8 2.6689999999E-8 5.9679999999E-8 1.335E-7 2.9839999999E-7 6.6729999999E-7 0.0000014919999999 0.000003336 0.00000746 0.00001668 0.0000373 0.000083409999999 56-95-1 9562059 144212680 A A Chlorhexidine diacetate Clc2ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)cc2.CC(=O)O.CC(=O)O Tox21_302363 -NCGC00255700-01 196728209 tox21-ror-cho-viability-p1 set3 4 0.0243365162 11.5 2 13.5 1.331 0.4404063398 0.2503616291 3.6980351 0.8229782 7.33387527 1.77619464 10.33063085 9.8837663 14.51360418 10.48915023 19.39241749 10.07790671 10.75851187 19.56447546 1.91064483 18.94941086 -3.62706883 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 532-43-4 10762 144212638 A F Thiamine nitrate [O-][N+]([O-])=O.Cc2nc(N)c(C[n+]1csc(CCO)c1C)cn2 Tox21_302321 -NCGC00016408-09 196713322 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -10.997114056 1 -9.997114056 4.9549173134 0.7957010785 0.0090331086 -0.82418488 1.53017582 1.18574869 1.55970479 -0.36217487 1.99501324 1.72394341 2.24022254 -1.08475412 0.24065837 1.90574757 -0.98714612 1.83645677 1.00445311 -8.33092838 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 144-83-2 5336 170464707 A Sulfapyridine O=S(=O)(Nc1ccccn1)c2ccc(N)cc2 Tox21_110426_1 -NCGC00164358-03 196713316 tox21-ror-cho-viability-p1 set2 4 -4.46051318 -4.56247092 -3.51959783 -5.42893127 -1.56515523 -4.05199627 -4.12112649 -2.79233621 -1.78081537 -2.68971257 -0.54086453 -1.11300843 -2.82709906 -0.44551618 -0.44328421 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-10-3 985 170465588 A Hexadecanoic acid O=C(O)CCCCCCCCCCCCCCC Tox21_112105_1 -NCGC00018181-12 196713317 tox21-ror-cho-viability-p1 set2 3 33.4914596268 82.519511767 -0.303558443 82.215953324 4.9549173134 0.9828368096 1.96E-8 1.46575822 0.11273381 -0.43712297 -0.82326234 1.64433833 1.16870109 1.77729789 -0.66025354 0.26312725 -1.03250707 -4.94435994 -0.64451437 -0.22681589 1.0711688 72.46217036 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 389-08-2 4421 170465215 A Nalidixic acid O=C(O)C2=CN(CC)c1nc(C)ccc1C2=O Tox21_110835_1 -NCGC00262937-01 196713320 tox21-ror-cho-viability-p1 set2 4 0.0074978039 -6.293503228 4 -2.293503228 1.98874246 0.4545636061 0.2221880894 4.51617329 4.25480036 1.46194002 1.95767085 0.07780769 -6.91125269 1.44619706 -2.05762386 -0.5325065 1.65055769 -0.73793633 -1.91990901 -0.57009213 -6.23810289 -5.7187845 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 535-65-9 10811 170466103 A A Glybuthiazol O=S(=O)(Nc1nnc(s1)C(C)(C)C)c2ccc(N)cc2 Tox21_113930 -NCGC00021575-05 196713333 tox21-ror-cho-viability-p1 set2 4 -0.71414154 -0.83275225 2.15916322 -1.53977267 -0.10099294 0.60395162 -1.73749075 -1.1569674 0.74302423 3.76402628 3.77227593 0.94195424 -0.88430561 -1.31960756 1.84232154 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 426-13-1 9878 170464629 A Fluorometholone CC(=O)[C@@]4(O)CC[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3C[C@H](C)C1=CC(=O)C=C[C@@]12C Tox21_110440_1 -NCGC00166043-02 196713334 tox21-ror-cho-viability-p1 set2 4 0.88671484 -0.83701445 -0.10406865 -1.02171149 -2.1064013 -0.93800273 -0.57679953 -0.69013105 1.83524688 0.36971082 -0.14914275 0.05189489 6.39805394 1.41596955 6.11303466 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2174-64-3 71648 170466372 Ac Flamenol Oc1cc(O)cc(OC)c1 Tox21_112298_1 -NCGC00253744-01 196713725 tox21-ror-cho-viability-p1 set2 4 0.1883363179 5.2353140519 -3.7353140519 1.5 1.21 0.4568712107 0.2200081433 -4.27636579 -2.77488291 -3.14823963 -0.83103017 -8.11276171 -4.43485476 0.88473259 -2.5336352 -0.20038279 0.98391878 -1.72233855 7.5160666 -0.12512091 0.72950837 1.15641075 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 100-36-7 60993 170466702 Z Fc 2-Aminoethyldiethylamine CCN(CC)CCN Tox21_113860 -NCGC00259492-01 196722072 tox21-ror-cho-viability-p1 set3 4 -13.54343874 -2.27713815 -3.60389464 0.16348781 -1.19879851 -10.47433421 0.95102177 -0.12179561 -14.86654252 -3.00985527 -7.53191774 -10.70560805 -4.28977573 0.91646763 0.78889191 1.167E-9 2.608E-9 5.8329999999E-9 1.304E-8 2.9159999999E-8 6.521E-8 1.458E-7 3.26E-7 7.2909999999E-7 0.0000016299999999 0.000003645 0.0000081509999999 0.00001823 0.000040759999999 0.000091129999999 123-11-5 31244 144209141 A A 4-Methoxybenzaldehyde COc1ccc(C=O)cc1 Tox21_201943 -NCGC00259690-01 196722064 tox21-ror-cho-viability-p1 set3 4 -9.34647367 -8.9965382 -6.63185665 -3.84162868 -7.86015435 -12.86377805 -11.77041268 -6.29526788 -11.53841432 -1.08891052 -7.2189095 -11.19362056 -7.60574601 -2.35140713 -16.49214416 1.193E-9 2.667E-9 5.964E-9 1.333E-8 2.982E-8 6.6669999999E-8 1.491E-7 3.3339999999E-7 7.4539999999E-7 0.0000016669999999 0.0000037269999999 0.0000083339999999 0.00001864 0.00004167 0.00009318 1675-54-3 2286 144209339 A B Bisphenol A diglycidyl ether CC(C)(c2ccc(OCC1CO1)cc2)c4ccc(OCC3CO3)cc4 Tox21_202141 -NCGC00258938-01 196722069 tox21-ror-cho-viability-p1 set3 4 27.1117539593 11.342893244 -2.342893244 9 4.9549173134 0.6219502857 0.0821881391 -4.7466761 -3.06625826 -2.80914998 7.25546662 -3.28586951 -5.28574437 -1.80687661 -2.73131183 -1.14132904 -1.86822294 -1.22369399 -3.76731836 -1.89480618 9.46406029 7.93813913 1.173E-9 2.624E-9 5.867E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.28E-7 7.3329999999E-7 0.0000016399999999 0.000003667 0.0000081989999999 0.00001833 0.000041 0.00009167 141-32-2 8846 144208585 AC Fns Butyl acrylate C=CC(=O)OCCCC Tox21_201387 -NCGC00259273-01 196722071 tox21-ror-cho-viability-p1 set3 4 -8.5399147 -2.70493065 -0.89406862 1.88962326 -1.59267084 -2.57889959 -7.67655536 -2.01546737 -2.76932631 0.10446444 -3.33509112 -3.19391736 -5.34567162 1.40001322 3.5450845 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.558E-8 1.466E-7 3.279E-7 7.3319999999E-7 0.0000016389999999 0.0000036659999999 0.000008197 0.00001833 0.00004099 0.00009165 192-97-2 9128 144208922 A A Benzo(e)pyrene c3ccc2ccc1cccc4c1c2c3c5ccccc45 Tox21_201724 -NCGC00167729-03 196722458 tox21-ror-cho-viability-p1 set3 4 0.3757803576 -7.4414028559 -1 -8.4414028559 4.4494702849 0.6861552785 0.0546233762 -2.63940676 -1.07179591 -1.59274959 -1.58131548 -1.24480293 -0.24298225 -0.020675 0.29621537 -4.42458712 -13.28450238 -1.80282628 -8.75229026 -8.91795479 -10.56033322 10.14357279 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 136381-85-6 122077 170466345 A Lintitript O=C(Nc1nc(cs1)c2ccccc2Cl)c4cc3ccccc3n4CC(=O)O Tox21_112581_1 -NCGC00015997-10 196722891 tox21-ror-cho-viability-p1 set3 4 18.59717408 -8.66751069 -1.39938418 10.03547858 -0.56119937 -9.5749396 19.33169383 17.83919968 13.04206354 10.74806539 11.25932534 6.64854449 6.27093312 12.22458835 -5.53611817 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 107-35-7 1123 170465726 Z Taurine NCCS(=O)(=O)O Tox21_110277_1 -NCGC00254958-01 196699107 tox21-ror-cho-viability-p1 set1 4 -0.95534081 1.91014557 1.05772659 2.08425427 2.97385836 0.2030611 2.40823497 2.1426968 1.91854244 4.90119837 1.96779465 2.84266878 -0.71983647 1.60421324 -0.75416413 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-60-6 61005 144211373 Z Z Phenoxyethyl isobutyrate CC(C)C(=O)OCCOc1ccccc1 Tox21_301056 -NCGC00254130-01 196699093 tox21-ror-cho-viability-p1 set1 -3 58.3438432694 -44.2372325484 -1.006327852 -45.2435604004 4.4494702849 0.9755303821 1.522E-7 -0.74629139 -0.32954421 -0.02422497 -0.46716048 -2.26596168 -0.44699394 -0.008127 0.79367324 0.03869323 -5.1603414 -0.50501315 -2.92552299 0.86361155 -7.5274889 -39.19966697 1.135E-9 2.5379999999E-9 5.674E-9 1.269E-8 2.837E-8 6.3439999999E-8 1.419E-7 3.1719999999E-7 7.093E-7 0.000001586 0.000003547 0.0000079299999999 0.000017729999999 0.000039649999999 0.00008866 1061517-62-1 44578765 144210584 A A PharmaGSID_47337 [Na+].O=C(c2cn(c1cccc(OCC)c1)c(n2)c3ccc(C)cc3)N4CCN(CC4)c6cc5ccccc5c(c6)C([O-])=O Tox21_300264 -NCGC00254557-01 196699095 tox21-ror-cho-viability-p1 set1 4 9.6589908687 6.8177645279 -1.3177645279 5.5 4.4494702849 0.5017127774 0.195855922 -2.61308403 -1.66823742 -2.65014471 -0.97566967 -3.18147044 0.16651144 -0.722114 -0.91725457 0.13737933 1.28372564 -2.72750816 0.27233225 10.52621256 0.56941596 1.79102074 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 1076-97-7 14106 144210966 I I 1,4-Cyclohexanedicarboxylic acid OC(=O)C1CCC(CC1)C(=O)O Tox21_300649 -NCGC00254320-01 196699096 tox21-ror-cho-viability-p1 set1 -2.4 30.5132723993 -28.961752112 1.5 -27.461752112 1.55794881 0.946320687 0.0000124387 0.79852476 1.66515483 3.88211678 1.73672858 2.56320145 -0.39319062 5.06717761 2.16112092 -0.0741567 0.01276829 -0.81778132 -2.96106683 -7.6451902 -13.36342794 -26.21812676 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.94E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.00004109 0.00009189 104795-68-8 13961743 144210753 A A CI-959 [Na+].CC(C)Oc1c3cc(ccc3sc1C(=O)Nc2[n-]nnn2)OC Tox21_300435 -NCGC00254960-01 196699502 tox21-ror-cho-viability-p1 set1 -1.1 4.2837393143 -91.4979342649 2.5881121299 -88.909822135 1.9673362061 0.9931681572 1E-10 3.04893408 2.04999143 3.67182736 3.97674156 2.99454308 0.53543671 5.33214649 -0.29648697 -0.558106 -10.72479662 -33.23259552 -72.79908416 -76.24949104 -93.78673221 -88.68566253 1.1699999999E-9 2.617E-9 5.851E-9 1.3079999999E-8 2.926E-8 6.542E-8 1.463E-7 3.271E-7 7.314E-7 0.0000016359999999 0.000003657 0.000008178 0.00001829 0.000040889999999 0.00009143 6317-18-6 22772 144211375 A Methylene bis(thiocyanate) N#CSCSC#N Tox21_301058 -NCGC00257522-01 196699505 tox21-ror-cho-viability-p1 set1 4 -1.62294907 -3.34319939 -0.37368413 1.62987797 -2.89676612 -2.92451637 1.66385314 -3.05995174 -0.09505501 -3.95998612 -3.04063673 -3.08218263 0.48954758 0.58144304 -3.16579654 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 90-33-5 5280567 144211232 A A 4-Methylumbelliferone Oc1ccc2c(c1)OC(=O)C=C2C Tox21_300915 -NCGC00160362-02 196722787 tox21-ror-cho-viability-p1 set3 4 -8.69524533 2.58744302 -10.65495815 -7.09516655 0 0 0 -23.24053067 1.30466459 0.95220791 5.49185832 4.22920823 -2.54352281 -0.91576939 7.21438769 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5663-71-8 10252 170466400 A Acetylsalicylamide O=C(NC(C)=O)c1ccccc1O Tox21_111763_1 -NCGC00259487-01 196721975 tox21-ror-cho-viability-p1 set3 4 -10.11836489 -12.48330028 -7.60787684 1.95026195 -7.2812785 -6.55546128 -6.94616108 -18.1175 -14.77986888 -4.5878266 -11.92272721 -10.29997199 -11.94094958 -9.65513582 -18.74383673 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.945E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.000003681 0.00000823 0.000018399999999 0.00004115 0.000092019999999 2409-55-4 17004 144209136 A A 2-tert-Butyl-4-methylphenol CC(C)(C)c1cc(C)ccc1O Tox21_201938 -NCGC00091338-06 196722371 tox21-ror-cho-viability-p1 set3 -3 29.8492948118 -43.3686226589 1.3409298549 -42.027692804 4.0949729863 0.9012583029 0.0003026191 3.18787445 5.94221792 0.22863304 2.96457624 0.97742457 -1.006286 2.04357928 1.31314025 7.32499223 -2.81027605 0.97987743 2.70391236 -6.1860134 -5.1524563 -35.85641067 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-50-7 1732 170466134 Ac 4-Chloro-3-methylphenol Oc1ccc(Cl)c(C)c1 Tox21_111116_1 -NCGC00182548-02 196722775 tox21-ror-cho-viability-p1 set3 4 2.45200361 1.67709933 -0.07526366 7.41179378 2.37244728 -1.03821586 5.24345556 6.66610296 -0.10993717 1.49827473 -6.16363503 6.83440701 0.0171462 -2.14512481 9.65522668 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63516-07-4 60196342 170465904 I Flutropium bromide [Br-].[Br-].C[N+]2(CCF)[C@H]1C[C@@H](C[C@@H]2CC1)OC(=O)C(O)(c3ccccc3)c4ccccc4 Tox21_113011_1 -NCGC00181296-02 196723191 tox21-ror-cho-viability-p1 set3 4 29.8492948118 9.555265148 0.944734852 10.5 2.4729283767 0.4614065249 0.2172374601 -1.55923434 1.16053009 1.61675108 -1.34215657 -0.95159496 2.39515153 1.19959451 2.39425573 2.88361034 6.04227798 -2.54605429 0.75220382 1.81633579 3.5541002 8.27871357 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112665-43-7 2449 170465940 A Seratrodast O=C2C(C)=C(C)C(=O)C(C)=C2C(CCCCCC(=O)O)c1ccccc1 Tox21_112774_1 -NCGC00253700-01 196723192 tox21-ror-cho-viability-p1 set3 4 -0.0317676 3.01092206 1.7667152 3.52151027 0.24678752 -0.26137941 3.47840544 1.21302732 -2.44361636 0.40915893 -3.42942731 2.68984381 -0.73948763 -4.46351852 4.99798292 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 40188-45-2 736331 170466721 A A 3'-Acetyl-4'-hydroxybutyranilide O=C(C)c1cc(ccc1O)NC(=O)CCC Tox21_113821 -NCGC00254794-01 196720196 tox21-ror-cho-viability-p1 set3 4 0.19023622 -4.54985961 -3.57553705 3.70881592 7.53040911 5.21838526 -5.2855837 -6.2903564 -1.95228738 13.87532415 5.20149479 11.09169619 -0.26153634 5.10896448 -2.27227153 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-75-7 1486 144211207 A A 2,4-Dichlorophenoxyacetic acid Clc1cc(Cl)ccc1OCC(=O)O Tox21_300890 -NCGC00254395-01 196719778 tox21-ror-cho-viability-p1 set3 4 3.25515662 -0.63449495 3.86756825 -0.10614283 3.7014168 3.14635482 -1.2022623 2.65348239 0.16004764 -1.10567001 2.48472126 -1.5994458 0.20624847 -0.25188479 -2.35323791 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-53-2 3293 144210646 A A Ethoxyquin CCOc1ccc2NC(C)(C)C=C(C)c2c1 Tox21_300328 -NCGC00254524-01 196720173 tox21-ror-cho-viability-p1 set3 -1.1 13.6854287769 -131.1120273968 5.1233657084 -125.9886616884 1.6604358099 0.9749586612 1.731E-7 11.42797448 6.45904525 6.59419005 1.59696276 3.43152573 2.78302033 7.80098688 1.39068535 -0.74147518 -6.63955562 5.1011573 -43.15335303 -65.04655989 -116.65616823 -113.78392755 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 548-62-9 11057 144210888 A A Gentian Violet [Cl-].C/[N+](C)=C1\C=C\C(C=C1)=C(/c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C Tox21_300571 -NCGC00254478-01 196720174 tox21-ror-cho-viability-p1 set3 4 -8.13045773 13.68214639 18.11106925 12.61239585 -9.20573705 -8.83792117 -5.6117915 12.51214333 -7.76194732 18.08448136 -7.38128342 15.60032932 8.47032409 5.01829701 4.50276492 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 629-76-5 12397 144210870 A A 1-Pentadecanol CCCCCCCCCCCCCCCO Tox21_300553 -NCGC00257213-01 196718947 tox21-ror-cho-viability-p1 set2 4 0.38174339 -1.05340357 -0.45630577 -2.34926122 -1.34198999 -1.70614771 -0.66481056 0.72727357 -1.70622815 -1.91217758 0.0744653 0.76772712 -0.0421745 -0.22025079 3.6398694 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-09-6 8872 144213640 A F Hexyl methacrylate O=C(OCCCCCC)C(=C)C Tox21_303323 -NCGC00255601-01 196718940 tox21-ror-cho-viability-p1 set2 4 -2.55100095 -3.59141503 -0.68517762 -2.31686317 -2.97221608 -3.37509876 -0.31067715 -0.23631 0.61537942 -2.58835661 2.39683449 0.8684914 0.96953192 1.06496845 -5.43484345 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2433-14-9 75518 144212080 A A 4-Cyclohexylcyclohexanol OC1CCC(CC1)C2CCCCC2 Tox21_301763 -NCGC00256361-01 196718941 tox21-ror-cho-viability-p1 set2 4 -3.67913508 -0.34599804 -2.29936366 -15.48308614 1.27330328 0.36452537 -1.17956504 -1.81165711 -2.67802162 -2.49172479 -1.8570774 1.22131191 -5.13262161 -3.36194109 0.2759465 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52214-84-3 2763 144213157 A A Ciprofibrate ClC2(Cl)CC2c1ccc(OC(C)(C)C(=O)O)cc1 Tox21_302840 -NCGC00244580-01 196718943 tox21-ror-cho-viability-p1 set2 -2.4 48.5577336745 -33.3884624079 -1 -34.3884624079 1.8851180601 0.947384134 0.0000111668 -0.74843139 -2.43994169 0.09714026 -1.1929892 -4.73690567 -3.47198975 0.66170324 -1.54704833 -0.36308116 2.55362759 -0.49172518 -2.27029982 -6.37704391 -14.69069429 -26.99038534 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00257454-01 196719367 tox21-ror-cho-viability-p1 set2 -3 22.8359967697 -41.955759506 2.819209577 -39.136549929 4.9549173134 0.9436444424 0.0000161577 0.15988588 2.21278028 -0.59137912 1.98656757 3.23702769 5.97953709 2.76126096 7.9346915 1.55412089 2.96873122 6.94659718 1.01367996 0.82973336 -2.94817891 -35.68111696 4.719E-10 1.055E-9 2.359E-9 5.276E-9 1.18E-8 2.638E-8 5.899E-8 1.3189999999E-7 2.949E-7 6.595E-7 0.000001475 0.000003297 0.0000073729999999 0.000016489999999 0.00003687 41372-20-7 107882 144213789 A A Apomorphine hydrochloride hydrate Cl.Cl.O.Oc3ccc4C[C@@H]1c2c(cccc2CCN1C)c4c3O.Oc3ccc2C[C@@H]1c4c(CCN1C)cccc4c2c3O Tox21_303480 -NCGC00257472-01 196719382 tox21-ror-cho-viability-p1 set2 4 3.1446356 0.54133597 0.12612363 2.73064061 0.17935226 7.5433678 3.04872849 6.59448058 0.86563806 3.99190257 5.16571462 0.42704915 0.33700196 4.51666979 3.29499537 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-69-3 6548 144213778 A A 3,7-Dimethyl-3-octanol CCC(C)(O)CCCC(C)C Tox21_303468 -NCGC00256589-01 196719387 tox21-ror-cho-viability-p1 set2 -1.1 21.6899429044 -80.2392553529 0.562831485 -79.6764238679 4.0949729863 0.9935761347 1E-10 0.02863814 -0.27370608 0.64832224 0.12925446 1.39302408 3.83905486 -0.19156513 5.04166305 -0.10966752 0.20293145 -2.178614 -5.62763454 -24.59929101 -74.68360814 -79.3300221 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 1461-25-2 15098 144213210 F F Tetrabutyltin CCCC[Sn](CCCC)(CCCC)CCCC Tox21_302893 -NCGC00257337-01 196719391 tox21-ror-cho-viability-p1 set2 4 -6.70569376 -7.67705691 -3.51731067 -2.89391987 -9.48258436 -6.30625892 -4.69648592 -2.78619565 0.19331667 -0.49264045 -0.30015051 0.01383584 -1.93728349 -0.02240573 -4.9752324 8.258E-10 1.8469999999E-9 4.1289999999E-9 9.2329999999E-9 2.065E-8 4.616E-8 1.032E-7 2.308E-7 5.161E-7 0.0000011539999999 0.000002581 0.0000057709999999 0.0000129 0.00002885 0.00006452 3777-69-3 19602 144213848 F Fns 2-Pentylfuran CCCCCc1ccco1 Tox21_303542 -NCGC00254054-01 196719788 tox21-ror-cho-viability-p1 set3 4 -2.18647814 -2.15144619 -0.48318051 -8.40905728 -1.94640949 -5.22130435 -4.09759074 -2.13270869 -2.06321565 0.37009101 0.21667409 -1.14227797 -2.20677208 -4.03769436 -0.55423091 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26628-22-8 33557 144210344 Sodium azide [Na+].[N-]=[N+]=[N-] Tox21_300024 -NCGC00256956-01 196707996 tox21-ror-cho-viability-p1 set1 4 27.3060203028 11.1437172641 1.3562827359 12.5 0.7999999999 0.4827356439 0.195831614 0.67381122 3.21234583 -1.50421983 0.01132625 3.06844574 4.94611175 0.55389153 7.99575051 -2.20309772 0.31508837 3.75066784 4.57480587 5.60746022 9.32890248 8.5165053 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-98-7 31368 144213489 FNS Methacrylonitrile C=C(C)C#N Tox21_303172 -NCGC00018221-08 196708414 tox21-ror-cho-viability-p1 set2 4 61.8773215692 -12.414982468 0.5 -11.914982468 0.6999999999 0.605854671 0.0947913559 2.27416965 -2.29987565 -0.0907657 1.68198001 3.30509124 -0.08798031 -0.05523027 -2.68811485 -0.34596152 1.57724335 -2.66376772 -2.92926204 -2.52180066 -2.62022803 -8.26248539 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00258953-01 196708396 tox21-ror-cho-viability-p1 set2 -2.1 48.3602777053 -79.6852538797 -0.263802889 -79.9490567687 3.0654483358 0.9883090262 2.1E-9 -1.78807744 0.74706631 2.91482985 2.97965255 -1.81550736 -1.4285924 1.2694661 -2.55264062 -3.48466045 -0.945993 -1.4153552 -0.0066581 -1.08100175 -31.96168342 -69.65837634 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.4699999999E-7 3.2859999999E-7 7.3479999999E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004108 0.00009185 3194-55-6 18529 144208600 A A 1,2,5,6,9,10-Hexabromocyclododecane BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br Tox21_201402 -NCGC00259543-01 196708402 tox21-ror-cho-viability-p1 set2 4 -0.38629729 0.56241056 2.54796664 0.2498955 0.04201458 -0.26005412 0.84344088 -0.79751696 1.87971233 1.09004739 0.40132582 -0.21693489 4.14976356 4.23443087 0.16852603 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.977E-8 6.656E-8 1.4879999999E-7 3.3279999999E-7 7.441E-7 0.0000016639999999 0.000003721 0.00000832 0.0000186 0.0000416 0.000093019999999 2807-30-9 17756 144209192 A A 2-Propoxyethanol CCCOCCO Tox21_201994 -NCGC00259120-01 196708813 tox21-ror-cho-viability-p1 set2 4 1.04314083 0.82546824 -4.08203951 -24.32065443 -3.43577731 -0.95731162 -3.31776409 -2.22700562 1.8736056 -3.67215154 -3.60143718 -2.42550362 -3.10442356 -0.45786072 1.53376328 1.2069999999E-9 2.699E-9 6.034E-9 1.349E-8 3.017E-8 6.747E-8 1.509E-7 3.373E-7 7.5429999999E-7 0.000001687 0.0000037709999999 0.0000084329999999 0.00001886 0.00004217 0.00009429 625-45-6 12251 144208769 A A Methoxyacetic acid O=C(O)COC Tox21_201571 -NCGC00091284-03 196708814 tox21-ror-cho-viability-p1 set2 4 3.24107684 4.94700741 4.17548667 3.94173954 1.07809697 0.42206191 2.66695469 -0.18608937 -0.11627453 -1.97883508 -0.99310678 4.62964516 -2.01016327 4.90377314 3.4557983 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00091146-04 196708816 tox21-ror-cho-viability-p1 set2 4 -0.33202983 -2.73006055 -4.47488833 -5.15749136 -1.0755273 -1.16217598 -2.55389293 -0.95858436 -0.86871141 -0.89166318 0.18909493 -1.31393821 -0.65655679 -2.5428635 -8.69145061 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00259116-01 196708817 tox21-ror-cho-viability-p1 set2 4 0.5428456 -1.71833187 -5.74529604 -6.63647763 1.64905982 -1.86603006 1.50016487 -1.66581205 2.00811041 1.93181185 -4.65683806 -0.92627661 -0.45798118 1.09660288 -2.17226209 1.197E-9 2.677E-9 5.986E-9 1.339E-8 2.993E-8 6.693E-8 1.497E-7 3.346E-7 7.4829999999E-7 0.000001673 0.000003741 0.000008366 0.00001871 0.00004183 0.00009353 613-13-8 11937 144208765 A D 2-Aminoanthracene Nc1ccc2cc3ccccc3cc2c1 Tox21_201567 -NCGC00258891-01 196708818 tox21-ror-cho-viability-p1 set2 4 -0.08075078 2.6277208 1.18125622 -0.45902855 1.23088247 -1.5571676 1.03554854 -0.28044068 3.45131734 2.32349238 0.21011638 1.07882154 3.19977008 2.03863885 1.83700794 1.152E-9 2.5769999999E-9 5.762E-9 1.289E-8 2.8809999999E-8 6.443E-8 1.441E-7 3.221E-7 7.203E-7 0.000001611 0.000003601 0.000008053 0.00001801 0.00004027 0.00009004 81335-77-5 54740 144208537 A A Imazethapyr CC1(N=C(NC1=O)c2ncc(CC)cc2C(=O)O)C(C)C Tox21_201339 -NCGC00258874-01 196708822 tox21-ror-cho-viability-p1 set2 4 5.1398935 0.32676523 2.82368653 -4.25588049 -0.25005809 3.92496712 3.46822119 4.99375367 2.43389853 3.18860841 2.11443273 3.05155704 0.37833994 5.83822619 2.6013128 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.312E-7 7.405E-7 0.000001656 0.000003702 0.000008279 0.00001851 0.0000414 0.00009256 60-12-8 6054 144208520 A 2-Phenylethanol OCCc1ccccc1 Tox21_201322 -NCGC00259655-01 196708828 tox21-ror-cho-viability-p1 set2 4 0.05659275 -1.51598663 0.58964997 -1.86806983 0.33740503 -1.34185189 0.47763899 -1.36007862 -0.57464557 0.54997932 0.21053466 -0.37830568 -0.49194318 -0.9886567 0.54871431 1.1679999999E-9 2.6109999999E-9 5.838E-9 1.305E-8 2.919E-8 6.5269999999E-8 1.459E-7 3.2629999999E-7 7.297E-7 0.0000016319999999 0.000003648 0.0000081579999999 0.000018239999999 0.000040789999999 0.000091209999999 108-45-2 7935 144209304 A A 1,3-Benzenediamine Nc1cccc(N)c1 Tox21_202106 -NCGC00259069-01 196708829 tox21-ror-cho-viability-p1 set2 4 -8.45568225 -6.38360856 -8.55466757 -6.97799767 -4.48359291 -4.5285544 1.91855621 -7.98397 -4.56852529 3.89789139 -8.63988813 -6.38728677 -4.90715204 3.05837753 -24.78985007 1.177E-9 2.6319999999E-9 5.8849999999E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.356E-7 0.000001645 0.0000036779999999 0.000008225 0.00001839 0.000041119999999 0.00009195 131-18-0 8561 144208717 A A Dipentyl phthalate O=C(OCCCCC)c1ccccc1C(=O)OCCCCC Tox21_201519 -NCGC00259946-01 196709241 tox21-ror-cho-viability-p1 set2 4 54.8152787309 -17.685332 1 -16.685332 3.5117481694 0.7973302287 0.0084960846 1.58035264 -3.38770147 1.41521991 0.10412149 3.50171348 1.95849897 3.10311789 -2.65674649 4.43644774 -0.18548549 0.70419105 1.24045194 1.27382879 -4.11184013 -14.32111 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 148-79-8 5430 144209595 A A Thiabendazole n1c3ccccc3nc1c2cscn2 Tox21_202397 -NCGC00022398-05 196697557 tox21-ror-cho-viability-p1 set1 4 37.5780357627 -10.796947924 1 -9.796947924 4.9549173134 0.5027109357 0.1781612351 1.39744447 0.46114616 -1.69525782 0.75503617 -1.84008223 -2.01337835 1.09168147 6.8626173 0.03475932 1.86746294 0.93861753 3.8692192 2.26561932 2.77465419 -8.16412327 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 356-12-7 9642 170464717 A Fluocinonide CC(=O)OCC(=O)[C@]45OC(C)(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3C[C@H](F)C1=CC(=O)C=C[C@@]12C Tox21_110438_1 -NCGC00183021-01 196697568 tox21-ror-cho-viability-p1 set1 4 -3.49129609 1.75446634 -5.46434647 -3.97835417 1.85162499 -0.83472461 -5.88822165 -0.95785126 -4.74555349 0.80427744 2.44879128 1.58943531 -2.79737425 -2.11488763 2.46519155 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 31224-92-7 9570475 144206861 A A Pifoxime O=C(COc1ccc(cc1)C(\C)=N\O)N2CCCCC2 Tox21_113310 -NCGC00179372-03 196697543 tox21-ror-cho-viability-p1 set1 4 -1.18245005 1.56929625 -1.01633842 -1.91810557 1.57433253 0.28803242 1.9162071 -0.4505935 1.14281862 0.26152587 -0.06658993 2.91509093 1.28023769 1.81290307 -1.08612145 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 536-93-6 102428 170466524 A Eucatropine hydrochloride Cl.CC2CC(OC(=O)C(O)c1ccccc1)CC(C)(C)N2C Tox21_113348_1 -NCGC00160631-02 196697546 tox21-ror-cho-viability-p1 set1 4 0.20728451 1.6508384 1.3277071 1.70471051 2.99745166 1.30319285 0.95901279 1.04702473 2.18089417 0.38137135 0.1016273 2.29139855 0.90384713 -0.47905629 0.2356363 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52-85-7 5859 170466840 A Famphur O=S(=O)(N(C)C)c1ccc(OP(=S)(OC)OC)cc1 Tox21_111946_1 -NCGC00025158-02 196697574 tox21-ror-cho-viability-p1 set1 4 -0.20805715 0.1281225 1.38262278 0.64141854 -0.07983778 -3.4398258 -7.9407696 0.79099483 -7.14713869 0.70169159 4.01371755 2.22240919 0.6464644 1.0596543 -6.39146954 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1217457-81-2 56972160 170465880 A (S)-(+)-Dimethindene maleate C[C@@H](C=1c2ccccc2CC=1CCN(C)C)c3ccccn3.O=C(O)/C=C\C(=O)O Tox21_113582_1 -NCGC00160373-02 196697576 tox21-ror-cho-viability-p1 set1 4 16.7854920005 -17.413472864 -2 -19.413472864 1.21 0.8350240646 0.0034985798 -0.35027048 2.25621612 -1.84584141 -3.6064155 0.30301648 -2.39840226 -4.61644167 -3.79571075 -2.83547845 -3.28618528 -1.16947701 -5.14120812 -5.52725725 -13.70042767 -15.34456072 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58338-59-3 42725 170466192 A Dianiline O=C(Nc1ccccc1N)c2ccc(N)cc2 Tox21_111769_1 -NCGC00253575-01 196697590 tox21-ror-cho-viability-p1 set1 4 -6.05941872 2.03198437 1.95361245 1.84638325 0.45955415 -0.55248535 0.02794834 -0.39105511 0.1646181 1.84930009 -0.04275301 -0.38087348 1.06598099 1.37986544 0.92980121 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 289893-25-0 9568077 170465602 A A Arimoclomol O[C@H](CN1CCCCC1)CO\N=C(/Cl)c2ccc[n+]([O-])c2 Tox21_113718 -NCGC00159551-02 196697594 tox21-ror-cho-viability-p1 set1 4 18.8336317891 -12.455889872 -0.5 -12.955889872 2.3331733767 0.8019912833 0.0077895077 -1.02010839 -0.17869721 0.94976542 -3.13958623 -1.94141731 -1.52900478 0.74566424 -3.1896301 1.45264165 -2.1542541 0.57267255 -0.64783952 -0.5515209 -8.20771031 -11.21324156 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103420-77-5 443375 170466556 A Devazepide O=C(N[C@H]2N=C(c1ccccc1N(C)C2=O)c3ccccc3)c4cc5ccccc5n4 Tox21_111744_1 -NCGC00164574-06 196697604 tox21-ror-cho-viability-p1 set1 4 11.8832183006 -9.7723386359 2.5 -7.2723386359 0.9099999999 0.5603526371 0.1289725843 0.00988879 4.03990388 4.45028206 0.83451846 0.64753711 3.39342871 1.08326794 4.82519605 0.42924034 1.3345147 2.46405161 -0.11383833 -5.18593742 0.61421129 -6.89361553 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 183321-74-6 176870 170465434 A Erlotinib C#Cc1cc(ccc1)Nc3ncnc2cc(OCCOC)c(cc23)OCCOC Tox21_112202_1 -NCGC00091586-02 196697610 tox21-ror-cho-viability-p1 set1 4 -1.13129291 -0.57031061 0.08427748 3.82861632 -0.57805147 -4.69173292 -2.22882479 3.02440856 -1.493629 0.11766333 1.09491749 0.37608293 -2.5528786 0.40876719 -0.30855819 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00167456-02 196697623 tox21-ror-cho-viability-p1 set1 4 0.55185454 3.56959399 7.81635971 1.84469025 -1.32315857 5.71084953 2.14408941 8.41693944 4.24474427 1.98158197 1.79544817 2.80789475 3.84552914 4.3894717 3.66818666 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3286-46-2 20055424 170466019 A Bisibutiamine Nc2nc(C)ncc2CN(C=O)C(/C)=C(/CCOC(=O)C(C)C)SSC(/CCOC(=O)C(C)C)=C(/C)N(C=O)Cc1cnc(C)nc1N Tox21_112460_1 -NCGC00253593-01 196697265 tox21-ror-cho-viability-p1 set1 -2.1 26.6032120037 -68.284227478 -0.303930058 -68.588157536 4.9549173134 0.9813507735 3.17E-8 -0.38351813 3.7991693 -3.76979825 -1.7301717 0.05770132 -0.55433385 0.64181858 -0.38161236 2.14794102 -1.47688229 0.22790538 -6.03200531 0.3339757 -15.80087342 -64.24013128 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 30392-40-6 35330 170465239 B F Bitolterol O=C(Oc2cc(ccc2OC(=O)c1ccc(C)cc1)C(O)CNC(C)(C)C)c3ccc(C)cc3 Tox21_113730 -NCGC00090962-05 196724173 tox21-ror-cho-viability-p1 set3 4 -3.72461572 2.75292388 3.91626099 3.70602437 -14.18537171 5.35743155 4.92010165 -13.06128123 6.46132942 -12.99240143 7.00129304 7.85819657 3.12468344 -2.41181939 -1.92464078 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 525-82-6 10680 144214020 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_400059 -NCGC00093889-12 196723577 tox21-ror-cho-viability-p1 set3 4 5.3080386368 19.950141672 -0.950141672 19 0.3 0.5840844043 0.1090112723 -0.16596808 3.73702559 -1.05283475 -1.62511806 2.72999252 2.65296863 2.57266968 2.33498911 12.48789901 8.79926419 6.61779316 1.19929521 10.98776952 9.17308735 15.21192821 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-47-6 5983 170465757 A Physostigmine CNC(=O)Oc1cc2c(cc1)N(C)[C@H]3N(C)CC[C@@]23C Tox21_111228_1 -NCGC00164542-02 196723160 tox21-ror-cho-viability-p1 set3 4 0.9439175816 -7.7992354039 4 -3.7992354039 1.8079476909 0.5969372915 0.114206045 -0.24749859 0.26401737 3.65980565 5.29093358 3.79909957 6.83967067 4.99760364 5.33160428 3.45482961 -1.27666743 0.0546602 -3.01756919 -8.58269617 -0.27778984 11.20715569 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57460-41-0 68770 170466514 A Talinolol O=C(NC1CCCCC1)Nc2ccc(OCC(O)CNC(C)(C)C)cc2 Tox21_112171_1 -NCGC00160449-04 196723172 tox21-ror-cho-viability-p1 set3 4 33.4914596268 14.5893671479 -3.5893671479 11 4.9549173134 0.3720831952 0.2992962316 -3.86491731 -7.91978554 -5.97483855 -6.00242315 -6.06808664 2.53871754 1.85090984 -7.26739598 4.89348728 -1.69509269 0.41296151 -4.8894508 -7.99113929 -4.81123387 9.116096 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17969-20-9 28858 170466565 A Fenclozic acid O=C(O)Cc1csc(n1)c2ccc(Cl)cc2 Tox21_111819_1 -NCGC00016913-14 196723183 tox21-ror-cho-viability-p1 set3 -2.2 23.7101376556 -74.9364961743 1.6213839059 -73.3151122684 1.98874246 0.9852003357 8.3E-9 1.27028264 4.06023464 3.3778069 5.59289407 0 0 -0.21843606 0 0.95652679 -0.99669248 2.7892321 -3.85393186 -7.13757442 -29.8003129 -58.19326687 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68844-77-9 2247 170465888 A Astemizole Fc1ccc(cc1)Cn4c5ccccc5nc4NC3CCN(CCc2ccc(OC)cc2)CC3 Tox21_110680_1 -NCGC00179250-03 196723581 tox21-ror-cho-viability-p1 set3 4 0.1883363179 4.171132516 -1.171132516 3 4.9549173134 0.3312388257 0.3562647172 -0.72880139 0.88050485 2.77376344 -3.89261043 -3.15630832 -0.62728337 -1.87124127 0.3546484 4.12957222 1.21333607 6.57800532 6.26652095 -3.27744465 2.78642919 -1.95598889 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 36167-63-2 37392 170465140 A Halofantrine Cl.CCCCN(CCCC)CCC(O)c2cc1c(Cl)cc(Cl)cc1c3cc(ccc23)C(F)(F)F Tox21_110637_1 -NCGC00015004-13 196723583 tox21-ror-cho-viability-p1 set3 4 3.3491459627 -4.8442490719 3.5 -1.3442490719 4.9549173134 0.4072061277 0.2680482007 3.3648912 0.40010468 4.99628642 3.21465044 4.71031885 0.28406794 3.10901759 0 5.52996475 4.19174736 9.00965927 -2.37020756 0.47325009 -2.28605754 -0.36051055 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14028-44-5 2170 170465376 A Amoxapine Clc1ccc2Oc4ccccc4N=C(c2c1)N3CCNCC3 Tox21_110064_1 -NCGC00090965-04 196723589 tox21-ror-cho-viability-p1 set3 4 4.8557733675 -12.4831246239 2 -10.4831246239 3.1319983358 0.7890011198 0.0099695517 2.15954633 -3.84144492 0.22006958 -0.34659521 -0.56636753 5.10945357 2.84014728 5.39586501 5.57397157 5.93843661 -2.60619407 -7.59079742 -11.63032678 -8.32431432 -12.06927052 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00253657-01 196723592 tox21-ror-cho-viability-p1 set3 4 33.4914596268 24.086335748 1.913664252 26 0.8999999999 0.5886898966 0.1054153243 4.55949079 -0.65089151 3.25323075 1.87784473 2.86459453 -1.33724394 -0.46244956 1.9840712 7.06305834 5.52296577 3.27832186 9.02579336 -2.15527979 13.56931854 18.61686039 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66644-80-2 3017698 170466671 A A 2,3-Dimethoxy-5-sulphamoylbenzoic acid O=S(N)(=O)c1cc(c(OC)c(OC)c1)C(=O)O Tox21_113783 -NCGC00263559-01 196722361 tox21-ror-cho-viability-p1 set3 4 -0.48881469 -3.96397478 -0.76984451 -0.45368171 0.8259924 3.12546443 4.29368242 -0.08558822 7.55915972 7.51256441 -14.56730505 11.74371022 5.82717271 4.33522186 7.10456114 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2387-59-9 1080 170465800 F Carbocysteine OC(=O)C(N)CSCC(O)=O Tox21_111658_1 -NCGC00259000-01 196721956 tox21-ror-cho-viability-p1 set3 4 30.5755549657 8.547366688 -4.047366688 4.5 4.9549173134 0.7926832936 0.0094836013 -5.20098421 -4.76125459 -4.62842027 -2.29602509 -3.34418869 -5.05410664 -3.87481096 -5.30057396 -6.28947224 -0.38899577 -5.30604596 -4.19157176 -3.72194741 2.96167749 4.39698219 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009203 719-32-4 12868 144208647 2,3,5,6-Tetrachlorobenzene-1,4-dicarbonyl dichloride Clc1c(C(Cl)=O)c(Cl)c(Cl)c(C(Cl)=O)c1Cl Tox21_201449 -NCGC00259875-01 196721962 tox21-ror-cho-viability-p1 set3 4 -5.56690705 -3.14944391 -1.48741849 1.72233753 -0.98965962 -6.86767607 -6.49676444 -5.71891224 -7.39377565 -3.41957945 -5.52732102 -5.39115429 -4.47835529 0.02322767 -2.64158686 1.203E-9 2.6889999999E-9 6.013E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003758 0.000008404 0.000018789999999 0.00004202 0.000093959999999 98-54-4 7393 144209524 A F 4-tert-Butylphenol CC(C)(C)c1ccc(O)cc1 Tox21_202326 -NCGC00258829-01 196721969 tox21-ror-cho-viability-p1 set3 4 8.7932249134 9.8331438039 -8.3331438039 1.5 3.9899729863 0.5519432495 0.1342256409 -8.73501781 -11.64832564 -4.83019612 0.86545711 -10.99236436 -13.61095317 -9.74215967 -9.20372132 -9.91415034 -5.61367679 -9.42437731 -3.36108142 2.42175092 -2.87581123 4.26801029 1.198E-9 2.68E-9 5.992E-9 1.34E-8 2.996E-8 6.6989999999E-8 1.4979999999E-7 3.35E-7 7.4899999999E-7 0.000001675 0.000003745 0.000008374 0.00001873 0.00004187 0.00009363 636-21-5 12484 144208475 A Bc 2-Methylaniline hydrochloride Cl.Cc1ccccc1N Tox21_201277 -NCGC00164449-04 196724408 tox21-ror-cho-viability-p1 set3 4 48.5577336745 -10.8017171799 1 -9.8017171799 3.1319983358 0.3714560903 0.3009334321 -0.67156471 4.89295983 5.96111402 0.85630026 4.54483464 -5.87815594 1.03733619 0.39388618 -3.98861555 2.23730935 -2.15289494 0.33811256 2.56941046 -3.52922308 -8.16809765 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00164164-02 196724420 tox21-ror-cho-viability-p1 set3 4 0.0054482673 12.038885072 -10.538885072 1.5 4.9549173134 0.75305263 0.0187183175 -10.86573756 -9.54807247 -4.23059849 3.732665 3.86723064 -0.44657183 -1.05883112 5.0540517 -1.20323386 2.40566193 5.07160431 -0.08102971 0.62788508 -2.27308219 4.83922656 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00259640-01 196705832 tox21-ror-cho-viability-p1 set1 4 9.07671274 8.89894778 4.15240045 6.37928346 7.32587146 -3.67604606 1.75813418 2.86788955 -0.16301909 14.05984303 3.79238924 4.92016463 3.53807112 4.7365352 1.86413547 1.146E-9 2.563E-9 5.732E-9 1.282E-8 2.866E-8 6.4079999999E-8 1.433E-7 3.204E-7 7.165E-7 0.000001602 0.0000035819999999 0.00000801 0.00001791 0.00004005 0.00008956 91-59-8 7057 144209289 A A 2-Naphthylamine Nc1ccc2ccccc2c1 Tox21_202091 -NCGC00259176-01 196705828 tox21-ror-cho-viability-p1 set1 4 0.0685896219 21.0162218479 -20.0162218479 1 0.4 0.6745541846 0.0504602319 -11.80030137 -16.70276174 -22.09685154 -16.045472 -4.80167849 -3.7821001 -7.20317629 -11.80843392 -3.67969393 -7.12827553 -0.03965728 -1.61960009 -2.42196752 0.87864311 0.53683845 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041219999999 0.00009218 20265-96-7 5284363 144208825 A A 4-Chloroaniline hydrochloride Cl.Nc1ccc(Cl)cc1 Tox21_201627 -NCGC00091632-02 196705835 tox21-ror-cho-viability-p1 set1 4 -0.0904747 10.18411457 -5.88791077 2.26493033 2.36876457 0.35812403 0.58390669 0.86310755 -12.46796096 2.87578964 1.1357394 0.85552597 0.36743822 3.87871005 1.95341475 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00016799-08 196704621 tox21-ror-cho-viability-p1 set1 4 3.73274981 -0.25099942 0.36672417 0.84609175 0.78722414 0.53556442 1.62229279 3.58047242 -0.51711342 -2.80632897 -5.35597433 -0.1408605 0.22699637 1.28824156 4.8421366 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 27470-51-5 5362 170465972 A Suxibuzone O=C(O)CCC(=O)OCC2(CCCC)C(=O)N(c1ccccc1)N(C2=O)c3ccccc3 Tox21_110615_1 -NCGC00022579-05 196704202 tox21-ror-cho-viability-p1 set1 4 0.0007497804 10.0451042599 -9.0451042599 1 4.9549173134 0.5694115942 0.1231780666 -6.70425355 0.92051495 0.56937169 -1.22350916 -0.01707985 1.91259844 -1.25768224 1.78341466 -0.92798026 1.74678499 -2.02228201 0.82322397 1.76317363 2.15938185 4.29469315 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4800-94-6 20933 170465106 F Carbenicillin disodium [Na+].[Na+].O=C([O-])[C@@H]2N3C(=O)[C@@H](NC(=O)C(c1ccccc1)C([O-])=O)[C@H]3SC2(C)C Tox21_111304_1 -NCGC00160389-09 196704207 tox21-ror-cho-viability-p1 set1 4 -1.20273375 1.78106092 0.97770039 -0.57698641 0.16083358 0.02783906 -0.08633382 -0.77223673 -0.09263959 6.54579648 -1.30200362 -0.13652536 -0.09682795 -1.42800092 0.14996081 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 52315-07-8 2912 170466657 F Cypermethrin Cl/C(Cl)=C/C3C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C Tox21_113579_1 -NCGC00167507-04 196704610 tox21-ror-cho-viability-p1 set1 -2.1 29.8492948118 -92.0257947764 -2.335108798 -94.3609035744 4.9549173134 0.9815418708 2.98E-8 -8.78363516 -0.07950229 -0.07508727 -1.44624915 -4.49945526 3.34126494 -0.66395859 0.12060757 -1.91666322 -6.26611428 -2.47756077 -2.36493558 -4.39470781 -13.32822122 -85.00982304 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 231277-92-2 208908 170465125 A Lapatinib Fc1cccc(c1)COc2ccc(cc2Cl)Nc3ncnc4ccc(cc34)c5ccc(CNCCS(C)(=O)=O)o5 Tox21_112505_1 -NCGC00178168-04 196705015 tox21-ror-cho-viability-p1 set1 4 0.0018833632 6.441786924 -6.941786924 -0.5 4.9549173134 0.5507695759 0.1376773163 -6.28425494 -6.61815577 -0.20094321 0.23349097 -1.81840519 1.36435283 3.96025656 -3.12376113 -3.9626213 -0.681927 -0.50614713 0.4833386 -0.7210656 -1.8334336 0.13453004 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 439-14-5 3016 170464626 A Diazepam Clc1ccc2c(c1)C(=NCC(=O)N2C)c3ccccc3 Tox21_113071_1 -NCGC00015793-10 196705028 tox21-ror-cho-viability-p1 set1 4 1.22203082 -4.62543605 0.36510266 0.45241092 -4.81242283 -0.36180887 -1.22615098 -0.61476268 1.28031806 2.37148209 -3.26320122 -2.72736577 -2.5728202 -2.72047986 0.79731655 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 544-31-0 4671 170466102 A Palmitoylethanolamide O=C(CCCCCCCCCCCCCCC)NCCO Tox21_110222_1 -NCGC00244579-01 196705030 tox21-ror-cho-viability-p1 set1 -3 68.5896218971 -76.3623217472 1.0757294819 -75.2865922653 4.9549173134 0.9921312086 2E-10 0.34225123 2.90413989 0.67991403 0.58760415 -2.21644207 0.05473173 0.61892705 2.61113916 -0.04455686 0.86575029 -0.2041906 2.04223325 0.19072437 -2.37787591 -61.33856529 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00274084-01 196705031 tox21-ror-cho-viability-p1 set1 4 5.57438371 1.54795428 5.89576678 -0.53650322 -2.48197274 0.19490194 3.08602269 2.76308704 0.63910249 2.53557639 -2.10266308 -0.05479254 1.5715183 3.17235403 5.01594559 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 443-79-8 791 170465505 Z DL-Isoleucine CC(CC)C(N)C(=O)O Tox21_112765_1 -NCGC00091195-08 196705431 tox21-ror-cho-viability-p1 set1 -1.2 1.6785492 -50.1125566714 2.7057164255 -47.4068402459 1.6266150999 0.960534942 0.0000022721 -0.96450269 1.8333298 3.28568626 1.17061032 0.6002776 5.09019759 2.13480627 2.60188456 1.45623135 -1.49611869 -34.4979747 -33.51160001 -40.69724628 -45.77959414 -50.7954739 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 70-30-4 3598 170464690 A Hexachlorophene Clc2c(Cc1c(O)c(Cl)cc(Cl)c1Cl)c(O)c(Cl)cc2Cl Tox21_111099_1 -NCGC00015985-08 196705434 tox21-ror-cho-viability-p1 set1 4 0.31281421 -0.14576671 -3.46014721 -0.58075585 0.41775768 7.24641407 -2.31257912 0.25168869 -0.37903527 -4.81050795 -0.80714441 0.26399194 -0.76119059 0.09617706 -5.86488257 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_45208 24871267 170466111 A Tracazolate hydrochloride Cl.O=C(OCC)c1c(NCCCC)c2cnn(CC)c2nc1C Tox21_110273_1 -NCGC00258351-01 196701952 tox21-ror-cho-viability-p1 set1 4 4.50945255 2.86337081 1.93346932 -0.66743705 2.92669756 2.43498693 -0.72925004 2.93996892 6.97907918 8.98122113 0.04849926 -2.80197919 5.18478467 3.36991013 6.37613952 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 40601-76-1 93221 144207995 A Bc 1,3,5-Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)-1,3,5-triazinane-2,4,6-trione CC(C)(C)c4cc(C)c(CN3C(=O)N(Cc1c(C)c(O)c(cc1C)C(C)(C)C)C(=O)N(Cc2c(C)cc(c(O)c2C)C(C)(C)C)C3=O)c(C)c4O Tox21_200797 -NCGC00258399-01 196701505 tox21-ror-cho-viability-p1 set1 4 0.17789055 1.06590301 0.61717566 11.24346379 -0.12602645 1.54991485 0.7024784 -0.66864393 5.74787706 -0.14316739 6.14576547 0.70301363 8.09757009 0.64741345 6.45745936 1.19E-9 2.661E-9 5.951E-9 1.331E-8 2.975E-8 6.653E-8 1.4879999999E-7 3.326E-7 7.438E-7 0.000001663 0.000003719 0.000008316 0.0000186 0.00004158 0.00009298 115-70-8 8282 144208043 A A 2-Amino-2-ethyl-1,3-propanediol CCC(N)(CO)CO Tox21_200845 -NCGC00258468-01 196701961 tox21-ror-cho-viability-p1 set1 4 -0.00483897 -1.43423903 -8.26051408 -6.486998 2.02529839 1.85834118 -9.22832451 -0.37533588 -0.58427486 0.6671897 -0.65550355 1.5378023 1.43855932 0.36626568 -1.00532452 1.173E-9 2.6229999999E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.557E-8 1.466E-7 3.2779999999E-7 7.3309999999E-7 0.0000016389999999 0.000003665 0.0000081959999999 0.00001833 0.00004098 0.000091629999999 64519-82-0 88735 144208112 Z Z Isomalt OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O Tox21_200914 -NCGC00258781-01 196701949 tox21-ror-cho-viability-p1 set1 4 -1.43920097 -0.62393839 -1.80026246 0.17221605 -1.63072531 5.75658789 1.81632301 0.19852276 -2.79266177 -0.13216526 -4.94734327 -0.30347341 -2.02947442 -0.96922771 -0.86516386 1.191E-9 2.663E-9 5.955E-9 1.332E-8 2.977E-8 6.6579999999E-8 1.489E-7 3.3289999999E-7 7.4439999999E-7 0.0000016639999999 0.0000037219999999 0.000008322 0.00001861 0.000041609999999 0.00009305 1137-42-4 14347 144208427 A A 4-Hydroxybenzophenone O=C(c1ccc(O)cc1)c2ccccc2 Tox21_201229 -NCGC00163919-02 196701960 tox21-ror-cho-viability-p1 set1 4 70.1970324498 -19.1491590999 3.5 -15.6491590999 4.0949729863 0.6858586165 0.0450334633 1.01273442 2.01681753 4.09278449 6.0377109 0.94834536 11.13962022 1.04131048 4.98070372 4.06944276 0.9850202 2.94144164 4.19235183 3.00967974 1.48302296 -11.37429925 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 10552-74-6 43704 144214027 A A Nitrothal-isopropyl O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C Tox21_400066 -NCGC00258265-01 196701963 tox21-ror-cho-viability-p1 set1 4 0.1976447857 -6.4338587001 -1.7639038679 -8.197762568 4.9549173134 0.4526225688 0.2395721713 -2.91194735 -2.11188854 -3.87556072 -0.39015001 -0.37395253 -0.87770226 -1.85653353 -11.87700646 -0.21991989 -11.48483894 -13.91480214 -8.82613071 -2.15767278 -9.43743506 -3.03265409 1.202E-9 2.688E-9 6.01E-9 1.344E-8 3.005E-8 6.719E-8 1.5019999999E-7 3.36E-7 7.5119999999E-7 0.0000016799999999 0.0000037559999999 0.0000083989999999 0.00001878 0.00004199 0.0000939 88230-35-7 8908 144207909 D Hexanol, acetate, branched and linear O=C(C)OCCCCCC Tox21_200711 -NCGC00258601-01 196702366 tox21-ror-cho-viability-p1 set1 4 5.36935642 -0.37869626 2.5323489 9.05516784 0.74942924 -5.18579628 4.64420184 -0.56404937 3.17725108 0.37388855 4.27320905 1.5817279 1.14759455 -0.23222717 0.91015264 1.141E-9 2.552E-9 5.707E-9 1.276E-8 2.854E-8 6.381E-8 1.4269999999E-7 3.19E-7 7.134E-7 0.000001595 0.000003567 0.000007976 0.00001784 0.00003988 0.00008918 822-36-6 13195 144208246 A A 4-Methylimidazole Cc1cncn1 Tox21_201048 -NCGC00258427-01 196702368 tox21-ror-cho-viability-p1 set1 4 16.1708500283 18.751761472 -4.751761472 14 0.3 0.6768480239 0.049591805 -5.39676014 -6.04313456 -1.38113523 -0.87112013 -1.05294395 -1.14508879 -3.45681089 -0.11821415 6.0484836 -0.77593303 0.86124281 -0.26040629 7.6702166 4.68729849 10.03345559 1.2319999999E-9 2.754E-9 6.158E-9 1.3769999999E-8 3.079E-8 6.885E-8 1.54E-7 3.443E-7 7.698E-7 0.000001721 0.000003849 0.000008606 0.00001924 0.00004303 0.00009622 121-44-8 8471 144208071 FNS Triethylamine CCN(CC)CC Tox21_200873 -NCGC00258506-01 196702374 tox21-ror-cho-viability-p1 set1 4 48.8047419132 10.4235897 -14.3389713839 -3.9153816839 2.7202212143 0.4602723769 0.2166363072 -13.792751 -7.64740745 -13.41188686 -15.52908207 -13.69967442 -12.84040073 -18.19914282 -16.67143309 -10.62881488 -17.05419381 -16.03276796 -15.55110511 -15.23593945 -9.16431837 -5.76281807 1.185E-9 2.6499999999E-9 5.9249999999E-9 1.325E-8 2.9629999999E-8 6.625E-8 1.481E-7 3.312E-7 7.406E-7 0.000001656 0.0000037029999999 0.000008281 0.00001852 0.0000414 0.00009258 605-71-0 11803 144208151 A F 1,5-Dinitronaphthalene [O-][N+](=O)c2cccc1c2cccc1[N+]([O-])=O Tox21_200953 -NCGC00258033-01 196702375 tox21-ror-cho-viability-p1 set1 4 3.94404037 1.82419094 -0.91877906 1.02028353 5.45954386 2.12140191 3.5123371 2.88748349 1.52745775 -1.134825 1.63128913 1.27377611 9.47581981 0.42955937 3.687015 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.3529999999E-7 0.0000016439999999 0.0000036769999999 0.000008221 0.000018379999999 0.00004111 0.00009192 7529-22-8 82029 144207677 A 4-Methylmorpholine 4-oxide [O-][N+]1(C)CCOCC1 Tox21_200479 -NCGC00257919-01 196702382 tox21-ror-cho-viability-p1 set1 4 -4.84040628 -0.16099604 -10.40270993 4.54085762 -9.27659048 0.25928004 -5.22422344 -6.22845087 -2.93638939 -12.41884655 -8.29268359 -7.22147866 -10.86900547 -3.86854865 -2.65880401 1.166E-9 2.608E-9 5.831E-9 1.304E-8 2.9149999999E-8 6.5189999999E-8 1.458E-7 3.26E-7 7.288E-7 0.0000016299999999 0.0000036439999999 0.000008149 0.00001822 0.00004074 0.00009111 79-46-9 398 144207563 AC C 2-Nitropropane CC(C)[N+]([O-])=O Tox21_200365 -NCGC00257913-01 196702778 tox21-ror-cho-viability-p1 set1 4 -5.60749918 -6.64960372 -1.13090944 -2.88012729 -6.05090179 -3.83178401 -10.48709676 -5.84354252 -6.94267656 -10.09272169 -9.3195763 -5.10466316 -9.12515651 -4.38592761 -0.31534751 1.218E-9 2.723E-9 6.0889999999E-9 1.361E-8 3.044E-8 6.807E-8 1.522E-7 3.4039999999E-7 7.611E-7 0.000001702 0.000003805 0.000008509 0.00001903 0.00004255 0.000095129999999 762-75-4 61207 144207557 FC tert-Butyl formate CC(C)(C)OC=O Tox21_200359 -NCGC00258134-01 196729684 tox21-ror-cho-viability-p1 set3 4 0.08384085 -7.40856455 -0.49084928 0.60642939 0.39005342 -0.11812876 0.95790311 -7.52969669 0.00503681 -0.22821854 -2.24560157 1.00435418 1.05631956 2.76731953 0.75642907 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.00004119 0.000092099999999 30781-73-8 13379149 144207778 Dimethylammonium nitrate CNC.[O-][N+](=O)O Tox21_200580 -NCGC00256259-01 196728859 tox21-ror-cho-viability-p1 set3 4 0.216899429 4.4604069079 -0.4604069079 4 4.9549173134 0.3931896492 0.2812533585 3.97340531 1.52108522 -2.17210854 -0.17281273 -3.30033909 -0.26085779 -1.99622677 7.08475879 1.48142774 1.71116735 0.58771972 6.42922766 1.94918448 6.74447598 4.66619269 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1660-95-3 74266 144211584 A A Tetraisopropyl methylenediphosphonate O=P(CP(=O)(OC(C)C)OC(C)C)(OC(C)C)OC(C)C Tox21_301267 -NCGC00258237-01 196729255 tox21-ror-cho-viability-p1 set3 4 62.6880060604 21.7014409119 -3.7014409119 18 2.0437424601 0.4674907914 0.2081251868 -4.51532355 1.31881544 -0.15782174 0.57883751 -3.84566371 -5.02354978 -2.57841977 -1.84887758 0 -10.73557773 -14.75120076 -8.10395352 2.2556038 2.00817436 11.90993731 1.2049999999E-9 2.695E-9 6.0249999999E-9 1.347E-8 3.013E-8 6.737E-8 1.506E-7 3.368E-7 7.5319999999E-7 0.0000016839999999 0.000003766 0.000008421 0.000018829999999 0.0000421 0.00009415 607-35-2 11830 144207881 A A 8-Nitroquinoline [O-][N+](=O)c1cccc2cccnc12 Tox21_200683 -NCGC00091044-02 196729679 tox21-ror-cho-viability-p1 set3 4 -8.40396768 -5.31081457 -4.031389 -7.15404441 -5.516589 -3.97190003 -3.51819311 -8.02172967 -6.89097347 -4.91062687 -3.96349251 -2.69350134 -5.59438649 -5.58397948 -13.68077903 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00091663-03 196729689 tox21-ror-cho-viability-p1 set3 4 0.45041469 9.82101147 4.06678455 11.16706576 2.61889559 5.05341491 6.35584629 0.74628079 8.24634276 7.32218488 7.16572394 5.05630722 2.36203088 1.41177742 -0.50309554 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00258247-01 196730085 tox21-ror-cho-viability-p1 set3 4 1.23705987 -0.3922731 -2.08717499 -0.1490909 -0.20969616 0.18261507 0.06744342 1.22944417 0.33229144 -0.13087558 -2.37598734 -12.01702241 2.44839193 0.02359989 2.1685225 1.131E-9 2.528E-9 5.6529999999E-9 1.264E-8 2.8269999999E-8 6.321E-8 1.413E-7 3.1599999999E-7 7.0669999999E-7 0.00000158 0.000003533 0.000007901 0.00001767 0.0000395 0.000088329999999 76180-96-6 53462 144207891 A A 2-Amino-3-methyl-3H-imidazo[4,5-f]quinoline Nc3nc2c(ccc1ncccc12)n3C Tox21_200693 -NCGC00260669-01 196730096 tox21-ror-cho-viability-p1 set3 4 0.32009622 1.20924832 -9.35613314 0.78441851 2.60746223 1.21814249 2.94701584 1.07376329 2.68289773 -0.48026336 0.00287766 2.94577736 -1.27402314 -2.63045992 -1.37555794 1.198E-9 2.679E-9 5.989E-9 1.339E-8 2.995E-8 6.696E-8 1.497E-7 3.3479999999E-7 7.487E-7 0.0000016739999999 0.0000037429999999 0.000008371 0.000018719999999 0.00004185 0.00009359 6338-41-6 80642 144208280 A A 5-(Hydroxymethyl)-2-furoic acid OC(=O)c1ccc(CO)o1 Tox21_201082 -NCGC00257615-01 196730101 tox21-ror-cho-viability-p1 set3 4 -1.46839438 -1.91363794 -4.78600712 -21.17804648 -20.65406038 -3.81651092 -23.29578128 0 0 0 -3.36042533 0 -7.45000279 -8.7876396 -4.39247645 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041229999999 0.00009218 85-69-8 6818 144207259 A A Butyl 2-ethylhexyl phthalate O=C(OCCCC)c1ccccc1C(=O)OCC(CC)CCCC Tox21_200061 -NCGC00258452-01 196730499 tox21-ror-cho-viability-p1 set3 4 9.4721871743 16.3484379559 -3.8484379559 12.5 3.9899729863 0.939907905 0.0000229468 -5.40808737 -3.75108172 -3.04929404 -4.85530686 -5.67653857 -2.22766613 -2.17066041 -3.93241784 -0.88662403 -2.39503344 -6.95703163 2.19763775 12.76098907 12.25526634 11.62008577 1.158E-9 2.589E-9 5.789E-9 1.2939999999E-8 2.894E-8 6.472E-8 1.447E-7 3.2359999999E-7 7.2359999999E-7 0.000001618 0.000003618 0.0000080899999999 0.000018089999999 0.00004045 0.00009045 109-57-9 1549517 144208096 A D Allylthiourea NC(=S)NCC=C Tox21_200898 -NCGC00163774-04 196730501 tox21-ror-cho-viability-p1 set3 4 0.36402341 -1.54691273 1.71272871 -0.76064544 -0.00891103 -0.93877813 -0.51325966 0.94126174 -1.01980915 -1.19800826 2.41436661 -0.83220137 0.94733644 1.00805034 1.61276 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00091759-02 196730505 tox21-ror-cho-viability-p1 set3 4 -3.55271524 -8.57892365 -6.92573703 -5.82909316 -6.25777935 -7.5031381 -5.08230076 -3.07915878 -5.54605393 -5.24621475 -2.05713882 0.13721088 -0.02688061 1.36579648 -2.27881932 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00256206-01 196728501 tox21-ror-cho-viability-p1 set3 4 2.82446453 6.96016491 9.13364363 -0.06125362 1.99137616 0.42405403 2.85836213 -1.88665424 7.84464831 4.78671044 -1.2266258 -1.46735873 -3.02672288 1.7030399 1.32006015 1.009E-9 2.2549999999E-9 5.0429999999E-9 1.1279999999E-8 2.5219999999E-8 5.639E-8 1.2609999999E-7 2.8189999999E-7 6.3039999999E-7 0.0000014099999999 0.000003152 0.000007048 0.000015759999999 0.00003524 0.000078799999999 39430-51-8 11284883 144211719 Ac Chromium acetate, basic O=C(C)O[Cr](OC(C)=O)OC(=O)C.CC(=O)O[Cr](O)OC(C)=O.CC(=O)O[Cr](O)OC(C)=O Tox21_301402 -NCGC00163903-03 196728086 tox21-ror-cho-viability-p1 set3 4 32.4852017048 6.697963788 -0.697963788 6 4.9549173134 0.448640218 0.2283556235 0.86004726 -2.53392337 2.19179136 -0.22285593 -0.27758012 0.77172344 -2.35407161 1.86907719 -2.1655258 -2.62172447 4.02779652 -5.58163649 -1.43405572 5.24719221 5.88689385 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00256449-01 196707502 tox21-ror-cho-viability-p1 set1 4 2.93064144 1.01016844 2.09659674 1.20636534 0.13415576 -7.44698769 2.92001247 6.76629395 0.88514705 -4.91577943 -4.93098417 -2.31622294 2.92326094 6.12791176 -0.05663743 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-33-9 4781 144213080 A D Phenylbutazone O=C3C(CCCC)C(=O)N(c1ccccc1)N3c2ccccc2 Tox21_302763 -NCGC00258969-01 196706673 tox21-ror-cho-viability-p1 set1 4 52.7145211363 -22.742661448 -1 -23.742661448 3.5117481694 0.6423796614 0.0687729131 -10.32785677 -0.63290783 -0.56360158 -7.37016416 -5.42370914 1.86811212 0.08214403 0.42482236 -0.86144152 4.65856293 1.11808132 0.13585798 1.2895173 -7.17247646 -20.61888454 1.148E-9 2.568E-9 5.7419999999E-9 1.284E-8 2.8709999999E-8 6.4199999999E-8 1.436E-7 3.21E-7 7.1779999999E-7 0.0000016049999999 0.000003589 0.000008025 0.00001794 0.00004013 0.00008972 88-60-8 6937 144208616 A A 2-tert-Butyl-5-methylphenol CC(C)(C)c1ccc(C)cc1O Tox21_201418 -NCGC00163927-04 196707073 tox21-ror-cho-viability-p1 set1 4 2.46208019 -5.74078244 -4.43429187 -0.56669105 -3.67710291 -0.63918925 -6.95134207 -12.54350385 -10.48838793 -10.94005143 -16.45109539 0.92400179 -1.61143555 -3.76437038 1.63470919 1.203E-9 2.6889999999E-9 6.014E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003759 0.000008404 0.000018789999999 0.00004202 0.000093959999999 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00090789-02 196707484 tox21-ror-cho-viability-p1 set1 4 -3.28004229 -2.47060288 -1.59434058 -1.66139906 -1.61559603 -1.45792375 -2.03420062 0.05450793 -3.30855152 3.19180947 -1.86385221 4.78629712 -1.79415802 3.50929501 4.3523856 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00257023-01 196707505 tox21-ror-cho-viability-p1 set1 4 -0.9371274 -5.66425008 -2.28218225 -0.33069549 -6.55087658 -10.52182307 -5.60991653 -5.52976815 -2.64628335 -2.10980545 -3.04910556 -10.61999687 -2.46994417 2.61139783 -4.71801462 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 5332-73-0 1672 144213382 Fns 3-Methoxypropylamine NCCCOC Tox21_303065 -NCGC00256871-01 196707508 tox21-ror-cho-viability-p1 set1 4 0.0019331182 12.417931944 -10.917931944 1.5 3.6272481694 0.7438306486 0.0218721714 -9.09827662 -1.55824488 1.15680775 2.63267567 1.66168781 -0.24122506 0.1069386 3.35589844 0.05260697 -0.20364917 -0.21053906 2.7707559 4.4393409 2.84694912 -1.09216957 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-16-2 8835 144212805 Ac F Citronellyl butyrate C\C(C)=C\CCC(C)CCOC(=O)CCC Tox21_302488 -NCGC00256753-01 196707509 tox21-ror-cho-viability-p1 set1 4 12.1971512362 10.6083615999 -5.1083615999 5.5 2.2526478767 0.3344422816 0.3347181399 -5.88392975 -1.76256479 -3.66289615 3.34096518 1.57959296 -3.8535534 1.33984023 -15.506968 -14.76170439 -10.05341885 -8.52074751 0.04903153 2.98993823 2.57750399 7.12754352 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-35-3 6532 144213038 A Ac Linalyl isobutyrate O=C(OC(C)(CC\C=C(\C)C)C=C)C(C)C Tox21_302721 -NCGC00257142-01 196707909 tox21-ror-cho-viability-p1 set1 4 4.03781329 0.71705095 0.86838413 -0.34120911 1.58036816 -0.46701463 4.9897353 1.51341201 4.05607716 2.75616382 2.44266937 2.73499154 1.53524089 1.12496408 -0.01491253 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 89-57-6 4075 144213442 D Fns 5-Aminosalicylic acid OC(=O)c1cc(N)ccc1O Tox21_303125 -NCGC00257392-01 196707919 tox21-ror-cho-viability-p1 set1 4 6.1130564862 7.476511012 0.523488988 8 4.9549173134 0.7293919484 0.0266063822 0.00773104 -1.64709251 6.80862519 -1.3218749 -1.0993694 0.59369252 0.62649252 -0.31923069 0.06397316 0.32818273 0.20391619 7.3032286 6.94303442 6.82159804 9.78814802 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7785-26-4 440968 144213896 Fns (-)-alpha-Pinene CC2(C)[C@H]1CC=C(C)[C@@H]2C1 Tox21_303591 -NCGC00259529-01 196705854 tox21-ror-cho-viability-p1 set1 4 8.60123614 10.20696587 -5.61434149 -1.31018235 10.96330472 0.86826378 1.5247501 0.52255116 8.53022163 9.56458937 1.38491681 1.42136805 7.79923863 8.08771291 0.20139322 1.1699999999E-9 2.6159999999E-9 5.849E-9 1.3079999999E-8 2.9239999999E-8 6.539E-8 1.462E-7 3.27E-7 7.311E-7 0.000001635 0.0000036549999999 0.0000081739999999 0.00001828 0.000040869999999 0.000091389999999 134-62-3 4284 144209178 A A DEET Cc1cccc(c1)C(=O)N(CC)CC Tox21_201980 -NCGC00016000-13 196705454 tox21-ror-cho-viability-p1 set1 -1.2 0.1978421181 -45.1488015375 2.5693112315 -42.579490306 4.9549173134 0.9744768879 1.931E-7 2.20503649 0.01490025 2.37404439 0.84476461 3.89068255 5.74767503 -7.82956715 -39.64634711 -41.49332492 -41.05278936 -41.19496411 -35.56389642 -52.86610034 -42.33983664 -43.11529836 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00259723-01 196705848 tox21-ror-cho-viability-p1 set1 4 78.3696995331 15.4532467119 -5.9532467119 9.5 4.9549173134 0.33042423 0.3393370078 -10.56912761 -5.42026147 -11.72307193 -15.79437226 -2.97915529 -3.45080137 -4.81127975 -3.44163397 -3.58610801 0 -2.84208466 -9.58867135 -4.7749342 -6.59480901 5.21959149 1.198E-9 2.679E-9 5.991E-9 1.34E-8 2.995E-8 6.698E-8 1.4979999999E-7 3.3489999999E-7 7.488E-7 0.0000016739999999 0.000003744 0.0000083719999999 0.000018719999999 0.000041859999999 0.000093599999999 127-19-5 31374 144209372 A A N,N-Dimethylacetamide CN(C)C(C)=O Tox21_202174 -NCGC00258951-01 196705852 tox21-ror-cho-viability-p1 set1 4 -0.38973832 6.05863486 3.23260505 5.85605433 1.07585092 1.05916482 -0.40448757 1.79227142 -5.2734622 15.96682634 -0.17681881 1.12813159 6.18199053 7.48636633 7.03265812 1.218E-9 2.722E-9 6.088E-9 1.361E-8 3.044E-8 6.8059999999E-8 1.522E-7 3.403E-7 7.61E-7 0.000001702 0.000003805 0.0000085079999999 0.000019019999999 0.000042539999999 0.00009512 108-89-4 7963 144208598 A Ac 4-Methylpyridine Cc1ccncc1 Tox21_201400 -NCGC00258147-01 196701922 tox21-ror-cho-viability-p1 set1 4 -1.57064704 -2.13756571 -17.72153008 -12.2139308 -17.08253869 -2.2164031 3.92778404 -2.19432777 -2.38110241 0.2588294 -3.17119132 -8.56147816 -14.13487743 -12.75096497 -17.80354807 1.206E-9 2.697E-9 6.0299999999E-9 1.348E-8 3.0149999999E-8 6.7419999999E-8 1.5079999999E-7 3.371E-7 7.538E-7 0.0000016859999999 0.000003769 0.000008428 0.00001885 0.00004214 0.00009423 412009-62-2 22239085 144207791 A A 1-Decyl-3-methylimidazolium trifluoromethanesulfonate FC(F)(F)S([O-])(=O)=O.C[n+]1ccn(CCCCCCCCCC)c1 Tox21_200593 -NCGC00258778-01 196701925 tox21-ror-cho-viability-p1 set1 -1.2 3.934701561 -55.4173077079 1.8571494459 -53.560158262 1.78848746 0.977752046 8.78E-8 -0.22631661 -5.08161666 0.48798829 6.11257724 -4.22794527 5.51287673 4.95383403 3.90466432 -0.98048157 -4.61448256 -23.61411894 -41.04689706 -46.14737697 -53.71182384 -55.3159283 1.09E-9 2.438E-9 5.452E-9 1.2189999999E-8 2.7259999999E-8 6.095E-8 1.363E-7 3.048E-7 6.815E-7 0.000001524 0.0000034069999999 0.0000076189999999 0.00001704 0.0000381 0.00008518 55981-09-4 41684 144208424 C D Nitazoxanide O=C(Nc1ncc(s1)[N+]([O-])=O)c2ccccc2OC(C)=O Tox21_201226 -NCGC00258196-01 196701938 tox21-ror-cho-viability-p1 set1 4 0.0218223555 -6.6809639719 4.5 -2.1809639719 4.9549173134 0.3427094725 0.327628103 5.93425241 1.12533141 0.77371243 9.88559676 -2.90778425 1.73044607 -5.76847135 -0.03063805 -4.37420298 -0.77738365 -6.14569693 -0.46131902 -4.11080524 6.4180422 -7.65080331 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003707 0.0000082899999999 0.00001854 0.00004145 0.00009269 2303-16-4 28700 144207840 A A Diallate ClC=C(Cl)CSC(=O)N(C(C)C)C(C)C Tox21_200642 -NCGC00090686-07 196701944 tox21-ror-cho-viability-p1 set1 4 4.97050733 2.16322603 3.65569662 2.34828254 0.30632051 6.80289912 6.64763948 6.52987292 4.82306849 6.58096242 5.61099094 0.5811471 1.51043205 4.13972514 0.54806309 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00258203-01 196702351 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -15.9063275159 -1 -16.9063275159 3.9899729863 0.3765104966 0.295118548 5.52881662 3.46994959 -5.52020452 -7.61556044 -7.68096736 -0.16047839 -4.40321089 -0.15316717 -3.22220522 -0.02026401 -0.24049711 4.6644252 -0.83945939 -2.96002173 -13.25527293 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.299E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.00001844 0.00004124 0.00009222 315-18-4 9414 144207847 A C Mexacarbate O=C(Oc1cc(C)c(c(C)c1)N(C)C)NC Tox21_200649 -NCGC00257555-01 196702356 tox21-ror-cho-viability-p1 set1 4 30.70018354 8.660373352 -0.160373352 8.5 4.9549173134 0.8710194613 0.0011550417 0.76798578 0.29796316 -2.63364446 0.42141283 0.17954165 -1.20420276 0 0.48208069 0.21030588 1.01731458 -0.78384131 -2.30485925 0.46318791 7.00051702 8.12202988 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004129 0.000092319999999 100-15-2 7483 144207199 A A N-Methyl-4-nitroaniline CNc1ccc(cc1)[N+]([O-])=O Tox21_200001 -NCGC00258084-01 196702765 tox21-ror-cho-viability-p1 set1 4 1.84113244 1.98951827 0.54699346 -1.22696186 6.27697584 -0.21494324 2.92924126 0.76355176 1.92365057 -11.22847454 2.96240044 3.10001354 3.79415953 -1.53608484 3.50663903 1.157E-9 2.587E-9 5.784E-9 1.293E-8 2.892E-8 6.467E-8 1.446E-7 3.234E-7 7.2309999999E-7 0.000001617 0.000003615 0.000008084 0.000018079999999 0.00004042 0.000090379999999 565-61-7 11262 144207728 FC 3-Methyl-2-pentanone CC(CC)C(C)=O Tox21_200530 -NCGC00257605-01 196702767 tox21-ror-cho-viability-p1 set1 4 -10.29247145 -8.43124972 -5.99453624 -5.2714375 -7.4461922 -1.97254267 -12.76448113 -8.55762479 -0.44327542 -6.834814 -9.48503854 -10.05498184 -9.59671636 -2.31696374 -4.41691816 1.158E-9 2.5899999999E-9 5.7909999999E-9 1.2949999999E-8 2.8949999999E-8 6.474E-8 1.448E-7 3.2369999999E-7 7.239E-7 0.0000016189999999 0.000003619 0.000008093 0.0000181 0.00004047 0.00009048 101-39-3 7557 144207249 A A alpha-Methyl cinnamaldehyde CC(=Cc1ccccc1)C=O Tox21_200051 -NCGC00257934-01 196702771 tox21-ror-cho-viability-p1 set1 4 -0.4979417 1.66204833 -3.97192427 5.35998546 -6.83836429 3.34383638 -7.73830459 -3.44779658 -0.4918209 -9.41668613 -6.89226711 -7.20847054 -6.76090839 -0.01930721 2.0001767 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.53E-8 1.4599999999E-7 3.265E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.000008162 0.00001825 0.00004081 0.00009125 95-68-1 7250 144207578 A A 2,4-Dimethylaniline Cc1ccc(N)c(C)c1 Tox21_200380 -NCGC00258008-01 196702799 tox21-ror-cho-viability-p1 set1 4 3.92067642 -10.58431849 -1.51030595 0.68072379 2.13785967 0.78147466 -3.34754419 2.78415154 3.5827555 2.32483583 4.08841329 -19.60711768 2.2310204 -1.10384072 -3.93933312 1.219E-9 2.726E-9 6.096E-9 1.3629999999E-8 3.048E-8 6.816E-8 1.524E-7 3.408E-7 7.62E-7 0.000001704 0.00000381 0.00000852 0.00001905 0.0000426 0.00009525 1569-69-3 15290 144207652 A F Cyclohexanethiol SC1CCCCC1 Tox21_200454 -NCGC00258069-01 196702787 tox21-ror-cho-viability-p1 set1 4 9.41226249 2.02368661 0.81949047 6.22759576 2.99773231 8.13486423 3.91851312 3.66153585 1.17618873 1.76852602 0.95975828 3.25935068 8.16115217 4.65148926 3.0929847 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004107 0.00009184 128-44-9 656582 144207713 A A Sodium saccharin [Na+].O=C1[N-]S(=O)(=O)c2ccccc12 Tox21_200515 -NCGC00258130-01 196702789 tox21-ror-cho-viability-p1 set1 -1.1 6.8171322038 -89.6831100154 -0.115382866 -89.7984928814 1.692447691 0.9698085037 5.028E-7 3.68540671 0.10522591 0.48624439 -3.37585066 -0.55752581 7.06802223 -3.15559244 -1.938185 -0.38307118 -11.50607165 -29.03354915 -39.06795615 -89.08580643 -85.42947079 -82.81796848 1.1739999999E-9 2.624E-9 5.8689999999E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091699999999 23906-97-0 3015167 144207774 A A Tetraoctylphosphonium bromide [Br-].CCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CCCCCCCC Tox21_200576 -NCGC00357090-01 196724625 tox21-ror-cho-viability-p1 set3 4 -16.0204314 -2.53345509 -2.24889958 -7.03796088 -4.40198669 -7.54981094 4.74513862 -2.69328562 -2.21534084 -5.36031958 -2.27769516 1.50652793 -3.71009855 -5.1335372 1.07714069 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14024-18-1 91759530 251919867 Iron(III) acetylacetonate C\C(=[O+]\[Fe](\[O+]=C(\C)[CH-]C(C)=O)\[O+]=C(\C)[CH-]C(C)=O)[CH-]C(C)=O Tox21_303809 -NCGC00260276-01 196724225 tox21-ror-cho-viability-p1 set3 4 -8.46996822 0.29325475 -0.51327614 -4.67936333 -2.14438737 0.9059672 3.20458428 1.31135304 -0.53719785 -7.06766993 6.29444234 -2.49221932 4.06706384 1.70281172 6.93445041 2.8939999999E-10 6.471E-10 1.4469999999E-9 3.2349999999E-9 7.235E-9 1.618E-8 3.617E-8 8.089E-8 1.8089999999E-7 4.0439999999E-7 9.043E-7 0.000002022 0.000004522 0.00001011 0.00002261 821-06-7 641245 144209926 Ac (E)-1,4-Dibromo-2-butene BrC\C=C\CBr Tox21_202728 -NCGC00357037-01 196724622 tox21-ror-cho-viability-p1 set3 4 9.6885416101 10.5998231039 -6.0998231039 4.5 2.7202212143 0.6224208994 0.0817174882 -13.83318592 -3.25645989 -5.51571859 -8.78657908 -7.35790773 -3.07897623 1.07915851 -8.71534734 -5.47172111 -5.17709426 -6.63380809 -1.63605025 2.84529864 4.14734753 4.8536864 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10482-56-1 443162 251919979 A (L)-alpha-Terpineol CC1=CC[C@H](CC1)C(O)(C)C Tox21_303728 -NCGC00260064-01 196724624 tox21-ror-cho-viability-p1 set3 4 -5.24565619 -5.72865684 0.3584923 -6.24121587 -4.95203321 -5.44514975 2.23815033 -1.22779627 -2.06549136 -2.31405398 -0.56762212 -0.03699512 1.8324308 0.04203285 -9.90444927 1.189E-9 2.6589999999E-9 5.945E-9 1.3289999999E-8 2.973E-8 6.647E-8 1.486E-7 3.323E-7 7.4319999999E-7 0.000001662 0.000003716 0.000008309 0.000018579999999 0.00004154 0.00009289 149-91-7 370 144209713 A A Gallic acid Oc1cc(cc(O)c1O)C(=O)O Tox21_202515 -NCGC00015562-25 196725043 tox21-ror-cho-viability-p1 set3 4 33.4914596268 -19.68743548 -0.5 -20.18743548 4.9549173134 0.5463193136 0.1387834001 -7.05238172 -5.84429211 -3.43456193 -5.17312226 5.40232648 1.14571154 4.00392435 3.84464678 -2.9593702 1.44967526 -0.43976968 3.0971812 -1.97053728 -2.04854379 -16.8228629 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 53-86-1 3715 170464705 A Indomethacin Clc1ccc(cc1)C(=O)n3c2ccc(cc2c(CC(=O)O)c3C)OC Tox21_113109_1 -NCGC00090885-03 196730510 tox21-ror-cho-viability-p1 set3 4 30.6378586933 -7.759289808 2.5 -5.259289808 4.0949729863 0.5261230541 0.1575693461 0.74276264 4.3949883 1.16671772 5.56304198 0.10229019 0.49947968 0.22229177 4.74994075 -1.68851531 5.29333581 3.77533606 5.25591673 1.27454205 -3.28358848 -5.21607484 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00255566-01 196709978 tox21-ror-cho-viability-p1 set2 4 61.130564862 -14.323983008 1 -13.323983008 4.9549173134 0.8146177286 0.0058828833 2.51343689 2.00087751 0.14936999 3.1546347 0.24150052 2.64412212 0.98706548 -1.39758799 -1.40163184 -1.66984646 2.08769514 1.37343721 2.20700594 -1.01714846 -11.51998584 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2642-71-9 17531 144211738 A A Azinphos-ethyl CCOP(=S)(OCC)SCN1N=Nc2ccccc2C1=O Tox21_301421 -NCGC00256105-01 196709969 tox21-ror-cho-viability-p1 set2 4 -4.54776426 -5.29630615 -3.07983246 -1.5642441 -5.77549097 -1.05934364 -6.63737476 -1.80013717 0.17254279 -1.79394501 -0.33574443 -0.42890501 -1.1092775 -0.15355459 -2.18663185 1.109E-9 2.4799999999E-9 5.5449999999E-9 1.2399999999E-8 2.772E-8 6.199E-8 1.3859999999E-7 3.1E-7 6.931E-7 0.00000155 0.000003465 0.000007749 0.00001733 0.00003874 0.00008664 75359-31-8 60196427 144212147 Fns Ditridecyl phthalate (mixture of branched chain isomers) CC(C)CC(C)CC(C)CC(C)COC(=O)c1ccccc1C(=O)OCC(C)CC(C)CC(C)CC(C)C Tox21_301830 -NCGC00256034-01 196709971 tox21-ror-cho-viability-p1 set2 4 1.92721893 -6.43406853 -5.28965363 0.07449919 -0.10698131 -8.81017816 1.74961556 -2.41416928 -2.38076673 -1.14166398 1.16436988 -8.73551778 -5.27662738 1.65140689 0.13760453 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 18835-02-4 87820 144211542 A B Ethyl 3-acetyl-4-oxopentanoate O=C(C)C(CC(=O)OCC)C(C)=O Tox21_301225 -NCGC00016000-13 196710372 tox21-ror-cho-viability-p1 set2 -2.1 70.1970324498 -104.3407593468 -5.16543645 -109.5061957968 3.5722481694 0.9353766493 0.0000336045 -3.39732693 3.69512526 0.34747329 0.13293877 1.26933884 -0.53896772 -6.20924886 -8.12777475 -8.87441506 -8.4164495 -13.48264602 -9.13724372 -14.51567574 -18.74632356 -82.95923924 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00256385-01 196708326 tox21-ror-cho-viability-p1 set1 4 0.07706057 -12.43704707 -9.75251649 -16.07137987 -13.67238838 -9.04851339 -11.1291193 -11.58520402 -16.3509044 -12.5209994 -15.46034946 0.14096697 -5.14674556 -7.53792572 -1.61508964 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-27-3 8103 144213270 A 1-Hexanol CCCCCCO Tox21_302953 -NCGC00256733-01 196707925 tox21-ror-cho-viability-p1 set1 4 -1.82058187 -6.85870571 -6.18822804 -8.96188486 -6.37779808 -14.11963458 -8.21011549 -10.89211743 -1.76941516 -3.60216363 -12.14501037 -6.62762814 -3.34238644 -5.66136251 -0.05084231 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47129 70917 144213024 Z F Methyl geranate O=C(C=C(C)CC\C=C(/C)C)OC Tox21_302707 -NCGC00256611-01 196708316 tox21-ror-cho-viability-p1 set1 4 34.3762428541 8.3359689239 -0.3359689239 8 4.0949729863 0.4694894611 0.2081670173 -6.94664077 -0.24461318 2.78494966 -3.05415988 1.71439747 2.75221098 -3.87364049 1.85302791 0.34240352 0.65643012 0.14878341 0.12023187 0.13346512 5.33213867 7.63491513 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 110-43-0 8051 144213252 Fns 2-Heptanone CC(=O)CCCCC Tox21_302935 -NCGC00257085-01 196708320 tox21-ror-cho-viability-p1 set1 4 -0.57517909 2.48667308 0.48262009 0.32779472 3.90897536 -0.15775618 1.20964609 -0.97965023 0.37182248 1.61549999 3.60267638 5.29600815 0.76156819 3.60777207 7.86942135 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009079 54827-17-7 41206 144213467 A A 3,3',5,5'-Tetramethylbenzidine Cc1cc(cc(C)c1N)c2cc(C)c(N)c(C)c2 Tox21_303150 -NCGC00256559-01 196708331 tox21-ror-cho-viability-p1 set1 4 0.0019331182 16.86269486 -15.36269486 1.5 0.6999999999 0.5391192763 0.1454675949 -11.13557905 1.16651277 -10.28446139 -0.03173894 0.11698863 -0.76616816 0.52972234 2.11105864 -0.44339218 1.24994158 3.19954947 0.48507365 0.926323 1.71862528 1.586985 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 108-99-6 7970 144213318 Fns 3-Methylpyridine Cc1cccnc1 Tox21_303001 -NCGC00256339-01 196708332 tox21-ror-cho-viability-p1 set1 -1.2 6.8589621897 -34.4301433471 -2 -36.4301433471 1.8851180601 0.9359987967 0.0000319517 -0.22799002 -3.81838878 -4.82685614 0.76830263 0.18787315 -7.82283865 0.81189772 -0.90803986 0.28027997 -11.81268737 -8.01658144 -20.80565986 -33.24454399 -38.36124384 -32.2331942 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 20624-25-3 517546 144213129 F Sodium diethyldithiocarbamate trihydrate O.[Na+].O.O.CCN(CC)C([S-])=S Tox21_302812 -NCGC00256388-01 196708336 tox21-ror-cho-viability-p1 set1 4 0.0397110674 -6.849253612 -7.192081292 -14.041334904 2.2526478767 0.4497472728 0.2425794963 -7.10619091 -9.95610156 -6.46549355 -5.79130733 -9.04920765 -15.25252324 -11.32550353 -12.92773555 -19.20111242 -16.08411398 -17.88068313 -5.57673441 -14.37649731 -12.37823396 -8.84074129 1.2089999999E-9 2.7039999999E-9 6.046E-9 1.352E-8 3.023E-8 6.76E-8 1.512E-7 3.38E-7 7.558E-7 0.00000169 0.0000037789999999 0.0000084499999999 0.0000189 0.00004225 0.00009448 620-17-7 12101 144213309 A A 3-Ethylphenol CCc1cc(O)ccc1 Tox21_302992 -NCGC00256624-01 196708339 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -29.5313187 1 -28.5313187 4.9549173134 0.9059220528 0.0002384637 -1.26050553 -0.34838714 -1.66377561 0.62585949 0.19937867 -1.22616391 4.28753987 -0.04303668 0.46310641 0.19024977 -0.74564055 3.88407953 3.65555745 0.76677609 -23.35943225 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2349-07-7 16872 144212808 A F Hexyl isobutyrate O=C(OCCCCCC)C(C)C Tox21_302491 -NCGC00258830-01 196708556 tox21-ror-cho-viability-p1 set2 4 -1.27390709 -2.02491845 -1.03056653 -0.30714465 0.68971123 -1.81658369 0.25123118 -0.33721953 0.21739167 -1.86200396 -0.98892261 0.98618666 -0.65469598 -6.03006476 -7.37459886 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041229999999 0.00009218 549-18-8 11065 144208476 A A Amitriptyline hydrochloride Cl.CN(C)CC\C=C1\c3ccccc3CCc2ccccc12 Tox21_201278 -NCGC00260189-01 196703187 tox21-ror-cho-viability-p1 set1 4 -1.02251433 3.86455797 5.7226007 1.04934877 -0.70878489 2.25669861 2.40271614 1.63758393 2.11449866 0.66596176 4.7692901 -0.00171449 0.0253561 4.705618 5.70897862 1.1699999999E-9 2.6159999999E-9 5.849E-9 1.3079999999E-8 2.925E-8 6.54E-8 1.462E-7 3.27E-7 7.3119999999E-7 0.000001635 0.000003656 0.000008175 0.00001828 0.000040869999999 0.0000914 516474-01-4 16211409 144209839 A Ac 1-Ethyl-3-methylimidazolium methyl sulfate C[n+]1ccn(CC)c1.[O-]S(=O)(=O)OC Tox21_202641 -NCGC00260563-01 196703169 tox21-ror-cho-viability-p1 set1 4 26.6032120037 19.8750481039 -2.3750481039 17.5 4.4494702849 0.7086326785 0.0344896068 1.05743025 -0.13491012 -0.55360871 -5.62128993 1.56035114 -8.64587342 -5.12059727 1.59927748 -2.70546488 -3.06857506 -0.59102389 -2.61451654 -6.24512783 3.45172327 15.54131567 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49459 144210216 M M NTP Mix71 CT1 62-EQP Tox21_203018 -NCGC00357221-01 196703179 tox21-ror-cho-viability-p1 set1 4 -7.93014368 -2.60317659 -0.26593321 -0.35803575 0.19617922 0.18466881 -8.64024764 -3.08366985 2.50821754 -7.71093787 2.62511381 -8.39787335 1.34959608 -4.84692033 0.84892219 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 81-30-1 6678 251919951 I Naphthalene-1,8:4,5-tetracarboxylic dianhydride O=C4OC(=O)c1ccc2C(=O)OC(=O)c3ccc4c1c23 Tox21_304005 -NCGC00260506-01 196703186 tox21-ror-cho-viability-p1 set1 4 -1.45186768 1.2903802 2.53178415 0.49679248 2.12016693 -1.14717824 2.36586539 -0.11831819 -20.9309571 2.60660956 5.3453606 1.28739917 0.32859049 -0.06571178 7.49673495 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.4729999999E-7 3.295E-7 7.367E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.000041179999999 0.00009209 17135-78-3 28308 144210158 A Ac 2-Chloroanthracene Clc1ccc2cc3ccccc3cc2c1 Tox21_202960 -NCGC00260174-01 196703588 tox21-ror-cho-viability-p1 set1 4 1.03111316 6.15344836 6.28932161 3.93907969 -0.13824514 -7.22930711 5.18959448 4.93802046 4.15455055 3.5956725 0.78509365 7.65268326 0.34575295 1.7423737 -2.14615525 1.21E-9 2.706E-9 6.051E-9 1.353E-8 3.0249999999E-8 6.765E-8 1.5129999999E-7 3.3829999999E-7 7.564E-7 0.000001691 0.000003782 0.0000084559999999 0.00001891 0.00004228 0.00009454 218151-78-1 11459786 144209824 A 1,2-Dimethyl-3-propylimidazolium iodide [I-].Cc1[n+](C)ccn1CCC Tox21_202626 -NCGC00356976-01 196703591 tox21-ror-cho-viability-p1 set1 -1.1 12.1971512362 -99.8281708045 -1.327087374 -101.1552581785 1.8851180601 0.9417466624 0.0000192566 0.12937645 0.23202521 -5.29869802 -0.27946445 -0.40774821 -5.57881378 -0.03443703 -1.4929132 0.63785343 -12.16791591 -13.18712994 -12.02518432 -90.76745529 -90.22598553 -92.63302031 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3006-93-7 18156 251919791 Ac N,N'-1,3-Phenylenedimaleimide O=C3C=CC(=O)N3c1cccc(c1)N2C(=O)C=CC2=O Tox21_303753 -NCGC00260430-01 196704002 tox21-ror-cho-viability-p1 set1 4 1.61486897 2.10512662 -0.29729148 -5.27884615 1.45092282 -5.22035772 -0.68800809 0.26774234 1.28967223 -0.57136359 3.63253129 1.20950591 3.02100253 0.14152806 1.01842971 1.1699999999E-9 2.6159999999E-9 5.851E-9 1.3079999999E-8 2.925E-8 6.5409999999E-8 1.463E-7 3.271E-7 7.3129999999E-7 0.000001635 0.000003657 0.000008176 0.00001828 0.00004088 0.00009141 16452-01-0 27882 144210082 A B 3-Methoxy-4-methylaniline Cc1ccc(N)cc1OC Tox21_202884 -NCGC00260026-01 196704006 tox21-ror-cho-viability-p1 set1 4 -6.03124814 -7.44003538 -6.32497286 -1.22704599 -9.66451092 -1.05998105 -1.08084521 -5.07531137 -1.36331192 -9.11311913 -0.53193766 -12.14444525 -8.29779011 -0.59026382 -0.20205064 5.873E-10 1.313E-9 2.9369999999E-9 6.566E-9 1.468E-8 3.283E-8 7.3419999999E-8 1.642E-7 3.6709999999E-7 8.2079999999E-7 0.0000018349999999 0.000004104 0.0000091769999999 0.00002052 0.00004588 91-93-0 7069 144209675 F F 3,3'-Dimethoxybenzidine-4,4'-diisocyanate COc1cc(ccc1/N=C=O)c2ccc(\N=C=O)c(OC)c2 Tox21_202477 -NCGC00260125-01 196704018 tox21-ror-cho-viability-p1 set1 4 0.3945392365 3.9541183159 -2.9541183159 1 4.9549173134 0.3396945316 0.3330696271 0.97963707 -4.37888349 -2.46847471 -2.46505943 0.1000625 -4.25215562 -0.94841463 -10.37843193 -0.1750844 2.54643874 0.38179497 -0.49847065 0.70363197 0.1068835 1.66702188 6.7619999999E-10 1.512E-9 3.381E-9 7.56E-9 1.691E-8 3.78E-8 8.4529999999E-8 1.8899999999E-7 4.2259999999E-7 9.45E-7 0.000002113 0.000004725 0.00001057 0.00002363 0.000052829999999 6258-06-6 5076555 144209774 Ac Bromamine acid sodium salt [Na+].[O-]S(=O)(=O)c3cc(Br)c2c(C(=O)c1ccccc1C2=O)c3N Tox21_202576 -NCGC00260074-01 196704025 tox21-ror-cho-viability-p1 set1 -2.2 16.5501626329 -60.4123715868 -4.81233183 -65.2247034168 1.21 0.9401254817 0.0000223525 -5.11555425 -5.90230125 -7.32154704 -3.71826327 -0.37646067 -8.20493977 -4.55425157 0.90866618 -2.67530818 -12.99487341 -11.34306182 -15.01295269 -25.15664685 -33.26986094 -57.21465212 5.83E-10 1.304E-9 2.915E-9 6.518E-9 1.4569999999E-8 3.259E-8 7.287E-8 1.6289999999E-7 3.644E-7 8.1469999999E-7 0.0000018219999999 0.0000040739999999 0.000009109 0.00002037 0.000045539999999 7220-79-3 104827 144209723 Ac Bc Methylene Blue trihydrate [Cl-].O.O.O.CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C Tox21_202525 -NCGC00263909-02 196704418 tox21-ror-cho-viability-p1 set1 4 0.61839728 -0.19827457 -0.4518377 -1.38531708 -0.75498726 0.25674495 -0.15375716 -0.24519418 -1.24388197 0.05064503 0.17068517 -0.09901286 -1.26662357 6.2109795 7.48229966 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 171596-29-5 110635 170464819 A Tadalafil O=C6N(C)CC(=O)N4[C@@H]6Cc1c5ccccc5nc1[C@H]4c2ccc3OCOc3c2 Tox21_112642_1 -NCGC00164507-03 196704420 tox21-ror-cho-viability-p1 set1 4 2.12483981 0.71927915 -0.93924538 0.98537789 -4.04189897 2.00508459 -2.45619407 2.28713797 0.13594581 3.64821909 0.61904684 4.21425987 -0.05285249 3.68986598 -0.06320538 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6236-05-1 22601 170466089 I Nifuroxime O=[N+]([O-])c1ccc(/C=N\O)o1 Tox21_112143_1 -NCGC00065440-03 196725456 tox21-ror-cho-viability-p1 set3 2.2 16.7854920005 46.8903657571 2.639154304 49.5295200611 0.7999999999 0.7999918306 0.007944191 2.6504399 1.70850039 -0.20817929 2.84460545 2.20544072 4.82119927 12.6107066 10.85498049 -1.13403808 14.11755515 13.56722491 6.5082814 15.90196841 33.16837998 37.52733339 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1027-14-1 2843496 170466214 A Trimecaine monohydrochloride Cl.O=C(Nc1c(C)cc(C)cc1C)CN(CC)CC Tox21_110981_1 -NCGC00253683-01 196725460 tox21-ror-cho-viability-p1 set3 4 -0.4031947 2.15687633 -0.47974658 3.02889936 4.40320153 6.14361113 -2.64495714 11.42381552 0.60753298 -2.93203044 -0.038257 6.70960138 7.2977867 3.14312109 2.1362528 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 78834-75-0 3018793 170466713 F A Ethyl 7-chloro-2-oxoheptanoate O=C(CCCCCCl)C(=O)OCC Tox21_113807 -NCGC00160458-02 196725048 tox21-ror-cho-viability-p1 set3 4 -0.28058023 -2.12814328 12.95304402 -0.59262009 0.18985338 1.25758695 -1.03837338 -0.53790229 -5.75685081 -6.76972423 -0.62987938 -2.19648014 -0.01841 2.36864149 -1.36178962 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 71475-35-9 68907 170466406 A Lozilurea Clc1cc(CNC(=O)NCC)ccc1 Tox21_111828_1 -NCGC00178432-05 196725458 tox21-ror-cho-viability-p1 set3 4 0.66640307 0.57609433 -0.48575168 1.1225539 1.30349461 5.50151496 2.14843514 -5.97917338 1.49112199 -0.11980791 -0.92307555 3.05871829 1.88828155 -0.79053936 5.87069297 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 207801-27-2 6419962 170466540 B Yohimbic acid monohydrate O.O=C(O)[C@H]2[C@@H](O)CC[C@H]3CN4CCc1c5ccccc5nc1[C@@H]4C[C@H]23 Tox21_110776_1 -NCGC00015368-11 196725470 tox21-ror-cho-viability-p1 set3 4 33.4914596268 -13.0447128799 0 -13.0447128799 4.9549173134 0.8036345941 0.0075400156 2.07512197 -1.78079201 0.71273146 -1.63230623 -0.37181379 -0.06427882 -1.75520251 0.39725072 0.00542659 1.67351351 0.71874843 1.0367457 -1.67843664 1.84112841 -11.7039274 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77-19-0 3042 170464896 A Dicyclomine CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2 Tox21_113571_1 -NCGC00179449-03 196725871 tox21-ror-cho-viability-p1 set3 1.2 0.4730794415 50.628424853 -1.4468197619 49.1816050911 0.9999999999 0.9601261414 0.0000046068 -1.88813863 0.87575442 -2.24887466 0.76777888 -1.96318385 4.24783217 -2.20310066 15.65484329 25.45696294 22.9768654 39.70881369 50.23282704 39.74484232 45.19385825 47.69448783 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1949-20-8 264891 170466464 A Oxalamine citrate O=C(O)C(O)(CC(=O)O)CC(=O)O.CCN(CC)CCc1nc(no1)c2ccccc2 Tox21_110749_1 -NCGC00164515-02 196725883 tox21-ror-cho-viability-p1 set3 4 0.0006682425 15.823080012 -17.823080012 -2 4.9549173134 0.5475635776 0.1386629439 -13.18590001 0 -2.89447624 -1.475923 1.19138297 2.20436045 -5.36156495 1.33182921 -2.51555844 -7.71726688 -1.76295124 -4.20804679 -1.52523015 -1.25625869 -1.55418963 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 115-24-2 8262 170466821 F Sulfonmethane CC(C)(S(=O)(=O)CC)S(=O)(=O)CC Tox21_112150_1 -NCGC00185766-04 196726301 tox21-ror-cho-viability-p1 set3 4 0 -3.38565102 -4.0877653 -1.49330537 -7.73732652 2.83441322 -0.71400663 3.68735889 -5.09194577 -3.54064438 1.51969436 2.37726814 -1.40940799 3.54119668 2.1859511 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 81161-17-3 104769 170465277 A Esmolol hydrochloride Cl.CC(C)NCC(O)COc1ccc(cc1)CCC(=O)OC Tox21_113496_1 -NCGC00160275-03 196726302 tox21-ror-cho-viability-p1 set3 -1.1 1.4575039053 -70.8873819751 -1.5142540709 -72.401636046 2.8472712143 0.9933172141 1E-10 0 -1.24393237 -5.12701023 -4.19575047 2.32854103 -3.43945508 1.19968866 2.54843326 -5.21990773 -2.84511823 -17.12109621 -53.82010759 -71.35054483 -72.59410745 -70.61111558 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 20004-62-0 5282060 170466395 F Geliomycin Oc5cc1c3c4c(C(=O)c2c(O)cc(O)c(C(=O)C1(C)C)c23)c(O)cc(C)c45 Tox21_111753_1 -NCGC00257249-01 196726702 tox21-ror-cho-viability-p1 set3 4 -2.92264932 -5.18239603 0.98864852 0.31840128 0.08191664 -0.51561063 1.78359018 0.28429347 0.03524156 -1.04925471 -26.80479211 -4.02396588 -3.09285568 -0.75818927 3.30452276 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-41-3 7298 144213868 A Cyclopentanol OC1CCCC1 Tox21_303563 -NCGC00256596-01 196727120 tox21-ror-cho-viability-p1 set3 4 4.6712899418 9.28650556 -0.28650556 9 4.9549173134 0.4290915329 0.2440987197 4.02528191 2.40924028 1.22719899 3.37437344 1.80767823 0.39105418 -4.84134673 -0.52527964 -3.52532889 -4.30021944 -5.6554213 20.62382228 8.43183019 3.01718604 6.0649092 1.038E-9 2.321E-9 5.191E-9 1.161E-8 2.595E-8 5.8039999999E-8 1.2979999999E-7 2.902E-7 6.489E-7 0.000001451 0.000003244 0.0000072539999999 0.000016219999999 0.00003627 0.00008111 2465-27-2 17170 144213319 B D Auramine hydrochloride Cl.CN(C)c1ccc(cc1)C(=N)c2ccc(cc2)N(C)C Tox21_303002 -NCGC00256635-01 196727537 tox21-ror-cho-viability-p1 set3 4 -1.46821671 -1.923507 -0.96993356 -2.16503018 1.06813835 -1.79490817 0.50994352 -2.64362188 1.56968269 0.08374084 -5.83500399 1.26691922 -2.53986318 -3.72450556 -2.23339876 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25152-85-6 5367706 144212980 A F (3Z)-Hex-3-en-1-yl benzoate O=C(OCC/C=C\CC)c1ccccc1 Tox21_302663 -NCGC00356942-01 196711207 tox21-ror-cho-viability-p1 set2 4 6.1130564862 -21.992867732 -1.009940812 -23.002808544 0.3 0.4181436574 0.2713502022 -1.98884019 -0.43962446 -12.25000574 -0.00828401 -1.17735597 -6.50744415 -0.86600608 -17.45759802 -10.34105178 -7.55257493 -8.32274455 -6.89071456 -19.16900712 -15.46872235 -2.86751159 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6358-09-4 4679699 251919776 Ac 2-Amino-6-chloro-4-nitrophenol Nc1cc(cc(Cl)c1O)[N+]([O-])=O Tox21_303798 -NCGC00256118-01 196710809 tox21-ror-cho-viability-p1 set2 4 30.6378586933 -8.460468988 0 -8.460468988 4.9549173134 0.5357029962 0.166195996 -3.35096705 0.56547542 1.83654961 1.99008881 0.51502897 -0.32980053 -4.38949692 -1.943644 0.76876752 0.31871874 -0.03577598 1.40052227 2.09497116 -8.71705749 -1.5625099 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 699-12-7 69685 144211837 A F 2-Phenylmercaptoethanol OCCSc1ccccc1 Tox21_301520 -NCGC00255418-01 196710811 tox21-ror-cho-viability-p1 set2 4 0.0019331182 13.5972107 -12.0972107 1.5 1.01 0.703290133 0.0374771325 -8.41434225 -2.04854949 -2.87906561 -0.26320064 0.06894494 0.7458611 3.12848016 0.81130774 0.511459 -0.10582598 0.3258934 0.62682877 1.39723538 0.08540038 5.96394604 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 525-79-1 3830 144211531 A A Kinetin N1C=NC3=NC=NC3=C1NCc2ccco2 Tox21_301214 -NCGC00357246-01 196711204 tox21-ror-cho-viability-p1 set2 4 43.2771256911 11.098015508 1.901984492 13 0.4 0.3602323621 0.3129097093 4.01255963 -0.06550781 0.38936888 -0.08167959 6.66028215 2.11065056 3.55771752 6.94634745 8.37389956 1.77407259 2.97281914 1.80520807 5.60205675 9.1295181 9.94751125 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7005-72-3 23436 251919936 A 1-Chloro-4-phenoxybenzene Clc2ccc(Oc1ccccc1)cc2 Tox21_304039 -NCGC00260570-01 196711221 tox21-ror-cho-viability-p1 set2 4 -9.96655186 -14.91858879 -8.35523044 -13.98929323 -20.77468545 -40.72320217 -23.95069874 -11.21401241 0 -10.53679689 0 0 0 -36.89520448 -4.4408662 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49466 144210223 M M NTP Mix78 CT1 62-EQP Tox21_203025 -NCGC00260362-01 196711620 tox21-ror-cho-viability-p1 set2 2.4 13.8107805854 19.8339718281 0.1660281719 20 0.5 0.8487193684 0.0023606756 -2.36164319 -0.36356578 -0.32533747 2.54942058 0.93271269 3.07887366 2.49556134 0.98739176 8.15663295 1.27655191 7.13548655 9.69001556 8.28134347 13.82383878 15.4009515 1.189E-9 2.6589999999E-9 5.945E-9 1.3289999999E-8 2.9719999999E-8 6.646E-8 1.486E-7 3.323E-7 7.4309999999E-7 0.000001662 0.0000037149999999 0.0000083079999999 0.000018579999999 0.00004154 0.000092879999999 2473-01-0 17185 144210014 Ac Fns Nonane,1-chloro- CCCCCCCCCCl Tox21_202816 -NCGC00091663-03 196711624 tox21-ror-cho-viability-p1 set2 4 0.78238912 1.29622707 0.82633719 -0.11745203 -0.06343647 -14.91583273 -4.65875249 -13.95202822 -13.66809247 -0.82938532 -0.42105626 -6.20062601 0.12973942 0.23134236 6.31654752 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-83-0 7263 144213998 C D 4-Chloro-1,2-diaminobenzene Nc1cc(Cl)ccc1N Tox21_400037 -NCGC00357002-01 196711636 tox21-ror-cho-viability-p1 set2 4 0.0172289341 8 0 8 0.6 0.664748435 0.0570827667 0.873571 2.7595079 1.89515699 4.79993776 4.30416015 4.63468684 6.1451791 6.71048395 8.97570328 8.36385605 7.29636933 5.00644853 5.40453139 11.91298172 7.12624813 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 163515-14-8 13633097 251919720 A Dimethenamid-P Cc1csc(C)c1N([C@@H](C)COC)C(=O)CCl Tox21_303923 -NCGC00260474-01 196711638 tox21-ror-cho-viability-p1 set2 2.4 61.25491928 24.319826644 1.680173356 26 0.8999999999 0.7033533305 0.0368050819 -1.32607192 -0.61025495 -0.02595806 -1.93318887 3.29357813 5.55359163 5.7053447 5.53441403 4.1343817 4.74908651 0.08221927 3.95491733 8.04091732 8.76023225 18.91720464 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003692 0.000008256 0.00001846 0.00004128 0.00009231 5502-78-3 79639 144210126 A A 9-Methylguanine NC=2Nc1c(ncn1C)C(=O)N=2 Tox21_202928 -NCGC00255481-01 196709982 tox21-ror-cho-viability-p1 set2 4 0.002730602 22.983457204 -19.483457204 3.5 0.2 0.4462905816 0.245679095 -14.56954767 -6.84238379 0.17278461 -6.78375676 -5.78157343 -2.5997779 -3.32761413 -4.70848676 -8.14954216 -0.92251734 -0.3863707 2.18901453 3.7475625 -2.73681736 -5.04223189 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-85-2 5995 144212587 A A Testosterone propionate CCC(=O)O[C@H]2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_302270 -NCGC00090986-03 196709584 tox21-ror-cho-viability-p1 set2 -3 69.008347349 -66.8425654022 0.2265571749 -66.6160082273 4.9549173134 0.9821055587 2.5E-8 -3.55186703 0.34117228 2.35513993 -0.30869367 0.82201905 3.67410426 -0.77379493 -1.56521976 2.22653072 -0.45818593 3.29885895 -0.27119857 -0.48538613 -5.10684193 -54.06032399 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00259193-01 196709586 tox21-ror-cho-viability-p1 set2 4 -0.44704285 -0.85171758 -0.52768263 1.23380715 -5.44224131 0.80008917 0.66391329 0.29736474 1.61314379 -1.1317737 0.52808218 0.62734098 2.47674097 0.59142781 1.64739835 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 55290-64-7 41385 144208842 A A Dimethipin O=S1(=O)CCS(=O)(=O)C(C)=C1C Tox21_201644 -NCGC00259462-01 196709587 tox21-ror-cho-viability-p1 set2 4 -0.2596315 -6.38108895 -3.73671375 -5.86598014 -4.09553771 1.88216685 -1.0598966 2.34465594 1.77987852 1.10272668 0.53601099 0.38540071 -2.87625974 -4.39714941 -7.09017258 1.1759999999E-9 2.6289999999E-9 5.8789999999E-9 1.315E-8 2.94E-8 6.573E-8 1.4699999999E-7 3.2869999999E-7 7.3489999999E-7 0.000001643 0.000003674 0.0000082159999999 0.00001837 0.00004108 0.000091859999999 32809-16-8 36242 144209111 A A Procymidone Clc1cc(cc(Cl)c1)N2C(=O)C3(C)CC3(C)C2=O Tox21_201913 -NCGC00259711-01 196709344 tox21-ror-cho-viability-p1 set2 4 0.0059641616 -6.228305484 3 -3.228305484 2.3031167061 0.4440523384 0.2332492691 2.68413816 2.34259227 -0.06115509 -1.415847 -5.36439407 -2.38491017 -1.64920588 -3.13251901 -2.29429307 -3.16360687 -2.80907946 -2.52844941 1.9343244 -3.17345577 -8.94025457 1.156E-9 2.585E-9 5.779E-9 1.292E-8 2.8899999999E-8 6.4619999999E-8 1.4449999999E-7 3.231E-7 7.224E-7 0.000001615 0.000003612 0.0000080769999999 0.000018059999999 0.00004039 0.0000903 59756-60-4 43079 144209360 A A Fluridone CN1C=C(C(=O)C(=C1)c2cc(ccc2)C(F)(F)F)c3ccccc3 Tox21_202162 -NCGC00259964-01 196709337 tox21-ror-cho-viability-p1 set2 4 43.2771256911 -11.1390327359 1 -10.1390327359 3.0654483358 0.8670312811 0.0013273142 2.13903174 0.06611961 1.44250487 0.44911239 0.23718147 1.40255173 0.87925643 0.48310675 0.65131813 0.75489298 4.60259597 0.82250703 1.54197482 -4.25201049 -9.28252728 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041229999999 0.00009218 90-43-7 7017 144209613 A A 2-Phenylphenol Oc2ccccc2c1ccccc1 Tox21_202415 -NCGC00259445-01 196709341 tox21-ror-cho-viability-p1 set2 4 -6.3583453 -6.05673929 0.85902529 -1.83625534 -4.73579868 -0.46155557 2.53516717 -4.33613343 -2.67589864 1.59944669 2.63295441 -5.96565875 -3.2295816 -6.46692805 -0.42134578 1.193E-9 2.6679999999E-9 5.9659999999E-9 1.3339999999E-8 2.9829999999E-8 6.67E-8 1.4919999999E-7 3.335E-7 7.458E-7 0.000001668 0.0000037289999999 0.0000083379999999 0.00001864 0.000041689999999 0.000093219999999 40487-42-1 38479 144209094 A A Pendimethalin [O-][N+](=O)c1c(C)c(C)cc([N+]([O-])=O)c1NC(CC)CC Tox21_201896 -NCGC00259977-01 196709746 tox21-ror-cho-viability-p1 set2 4 42.9252797402 -18.3270699879 0 -18.3270699879 2.3331733767 0.9043872192 0.0002606875 -0.16452369 -0.80914619 0.27493855 4.56152808 0.15829885 -0.65184961 -0.35016494 -1.44901618 -0.24026474 -1.91214087 -0.90235061 0.59138746 -1.86755362 -9.22387827 -15.68922499 1.172E-9 2.6199999999E-9 5.858E-9 1.31E-8 2.929E-8 6.55E-8 1.465E-7 3.275E-7 7.323E-7 0.000001637 0.0000036609999999 0.000008187 0.00001831 0.00004094 0.00009153 999-97-3 13838 144209626 FC Hexamethyldisilazane C[Si](C)(C)N[Si](C)(C)C Tox21_202428 -NCGC00258847-01 196709747 tox21-ror-cho-viability-p1 set2 4 -0.53397496 0.93749608 -3.38913802 -4.98166621 -1.9303923 -4.43202949 2.62302314 -3.79700787 -4.54427188 2.3627756 -4.73160314 -2.56149504 -1.34113305 0.6545527 -0.96686408 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 13684-63-4 24744 144208493 D Phenmedipham O=C(Oc1cccc(c1)NC(=O)OC)Nc2cc(C)ccc2 Tox21_201295 -NCGC00258904-01 196709751 tox21-ror-cho-viability-p1 set2 4 -0.68419453 0.03741679 2.94568734 0.92859469 0.07390356 2.78326025 -0.09706357 -0.62798197 1.19538445 1.84858047 0.56743083 0.02427957 -0.69199864 -0.38912153 -0.23823794 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009203 1582-09-8 5569 144208550 A A Trifluralin [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)C(F)(F)F Tox21_201352 -NCGC00090789-02 196709752 tox21-ror-cho-viability-p1 set2 4 0.75072055 1.69415476 -2.16601793 -4.84848435 -6.79560369 -3.4866305 0.60449158 -3.77315418 -6.40540033 -2.8851046 3.29211258 -3.79010701 -4.75681331 -2.46825519 1.37272616 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-43-5 700 144213981 Z Ethanolamine NCCO Tox21_400020 -NCGC00259644-01 196709763 tox21-ror-cho-viability-p1 set2 4 -2.9822745 -0.6412278 -4.88424997 -1.36093203 -0.97830457 -1.32998719 -0.93259854 0.13323133 0.4852802 -1.0439786 -0.25076462 -0.40610201 0.2684917 -0.4884855 -0.07313023 1.19E-9 2.661E-9 5.95E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003719 0.000008315 0.00001859 0.00004158 0.00009297 123-05-7 31241 144209293 D 2-Ethylhexanal CCC(CCCC)C=O Tox21_202095 -NCGC00259334-01 196709765 tox21-ror-cho-viability-p1 set2 4 34.7961750105 -19.243768712 0 -19.243768712 4.0949729863 0.9328520303 0.0000415998 4.06564876 1.14345754 -0.24898302 -0.1110229 -2.44569364 -0.32820359 1.51693137 -0.74704369 -1.80258483 -1.03018998 -0.08433709 -1.02550705 -2.53400442 -13.20888103 -19.36980726 1.1919999999E-9 2.6649999999E-9 5.96E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.332E-7 7.45E-7 0.0000016659999999 0.000003725 0.000008329 0.00001862 0.000041649999999 0.00009312 94-26-8 7184 144208983 A A Butylparaben Oc1ccc(cc1)C(=O)OCCCC Tox21_201785 -NCGC00259406-01 196709766 tox21-ror-cho-viability-p1 set2 4 2.13392493 3.98608544 -4.58455662 0.34225387 1.51191635 2.07552685 -12.04191623 1.12924586 2.82028685 3.35856791 -1.53906763 -2.338073 0 2.82631523 0.91865219 1.1859999999E-9 2.651E-9 5.928E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009262 117-82-8 8344 144209055 A A Di(2-methoxyethyl) phthalate O=C(OCCOC)c1ccccc1C(=O)OCCOC Tox21_201857 -NCGC00255738-01 196710597 tox21-ror-cho-viability-p1 set2 4 0.7688056498 16.099983492 -8.099983492 8 0.2 0.5361957226 0.148373255 -8.41665291 -0.93202737 -2.75641356 -6.86208413 0.746446 -0.12702309 -1.17740676 0.67450011 -1.54448841 -1.49981984 0.32814728 0.36169746 4.87667012 -0.15999875 6.60534493 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 34123-59-6 36679 144211646 A A Isoproturon O=C(Nc1ccc(cc1)C(C)C)N(C)C Tox21_301329 -NCGC00255144-01 196711017 tox21-ror-cho-viability-p1 set2 4 -4.52511371 -2.73846565 -5.31323462 -5.37807394 -0.82525193 -4.17350757 0.11979738 -3.20583384 -2.53583334 -0.91246623 1.83138012 -2.22541497 -2.67714408 -3.21049144 -2.24304551 1.144E-9 2.559E-9 5.7219999999E-9 1.2789999999E-8 2.861E-8 6.397E-8 1.4299999999E-7 3.199E-7 7.1519999999E-7 0.0000015989999999 0.0000035759999999 0.000007996 0.000017879999999 0.000039979999999 0.0000894 7779-27-3 24512 144211939 Ac Ac 1,3,5-Triethylhexahydro-s-triazine CCN1CN(CN(CC)C1)CC Tox21_301622 -NCGC00258087-01 196729810 tox21-ror-cho-viability-p1 set3 4 -2.76809114 -6.40527526 -4.37555042 -6.31091783 -0.6515282 -4.47008372 -6.74301832 -2.69971557 -3.30361746 -6.48181732 -6.31074473 -4.15045037 0.52069721 -0.10002107 0.62538345 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.303E-7 7.387E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 103-82-2 999 144207731 A A Phenylacetic acid OC(=O)Cc1ccccc1 Tox21_200533 -NCGC00257665-01 196729406 tox21-ror-cho-viability-p1 set3 4 -0.41837584 -0.63655436 0.68922881 0.92825758 1.25402841 1.21220997 -0.49888723 3.57568604 4.67291017 6.0099734 4.80881609 0.57166257 0.72225883 -4.1644687 2.16933452 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.589E-8 1.4729999999E-7 3.295E-7 7.367E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.000041179999999 0.00009209 143-28-2 5284499 144207309 A A (9Z)-Octadec-9-en-1-ol CCCCCCCC\C=C/CCCCCCCCO Tox21_200111 -NCGC00257986-01 196729803 tox21-ror-cho-viability-p1 set3 4 0.9144548 0.0793838 0.19531856 1.20324394 0.57387927 0.91118572 2.00190877 2.23488625 1.71678253 2.17239357 -0.55285942 1.84035651 -0.49264103 -0.72929522 -3.63510613 1.202E-9 2.688E-9 6.01E-9 1.344E-8 3.005E-8 6.719E-8 1.503E-7 3.36E-7 7.5129999999E-7 0.0000016799999999 0.0000037559999999 0.0000083989999999 0.00001878 0.000042 0.000093909999999 101-63-3 7568 144207630 A A 1,1'-Oxybis(4-nitrobenzene) [O-][N+](=O)c1ccc(cc1)Oc2ccc(cc2)[N+]([O-])=O Tox21_200432 -NCGC00258735-01 196729806 tox21-ror-cho-viability-p1 set3 4 -0.71968329 2.25928969 0.68826102 1.03744481 -1.46710653 0.48104865 1.17634306 0.19422603 -3.9691169 -0.45559346 -4.04657 -7.47411864 1.07241654 -2.36362282 -6.70308329 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 19224-26-1 517637 144208381 A A 1,2-Propanediol, dibenzoate CC(OC(=O)c1ccccc1)COC(=O)c2ccccc2 Tox21_201183 -NCGC00016000-13 196729818 tox21-ror-cho-viability-p1 set3 -2.3 99.1559438564 -86.9294333509 -7.1631357119 -94.0925690628 0.7999999999 0.4816060627 0.1943737088 -4.17637627 0.34910783 -0.4031272 -0.5505629 -1.79428491 -2.89837901 -18.07411996 -31.88549236 -37.30337382 -9.397542 -6.8161229 -9.92574069 -29.64454238 -13.56370425 -71.28224929 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00257698-01 196730216 tox21-ror-cho-viability-p1 set3 4 2.40572471 0.08958387 3.96061388 0.49733857 1.40384512 1.22446865 -2.5562651 3.96700368 -1.01008772 1.05448948 1.84457009 1.37979549 -1.03699324 0.10601232 -1.0914909 1.2049999999E-9 2.694E-9 6.0229999999E-9 1.347E-8 3.012E-8 6.7339999999E-8 1.506E-7 3.367E-7 7.529E-7 0.0000016839999999 0.0000037639999999 0.000008418 0.00001882 0.00004209 0.000094109999999 26471-62-5 11443 144207342 FC Toluene diisocyanate O=C=N/c1cc(ccc1C)\N=C=O Tox21_200144 -NCGC00258469-01 196730219 tox21-ror-cho-viability-p1 set3 4 -0.45709862 1.37243661 -3.59512588 -2.37877924 1.83859176 -2.6364979 -0.53306106 -1.89359872 -28.96113736 -1.00940424 -19.69607164 -25.55859424 -3.6841101 1.27307075 0.63624337 1.211E-9 2.709E-9 6.0569999999E-9 1.3539999999E-8 3.028E-8 6.772E-8 1.514E-7 3.386E-7 7.5709999999E-7 0.000001693 0.0000037849999999 0.000008464 0.00001893 0.00004232 0.00009464 88-99-3 1017 144208113 A A Phthalic acid OC(=O)c1ccccc1C(=O)O Tox21_200915 -NCGC00257685-01 196730235 tox21-ror-cho-viability-p1 set3 4 1.15649947 1.72809093 0.98285741 0.72282737 1.22015865 0.50588784 0.4828237 -0.12849695 -0.12922236 2.08625745 1.26654512 0.53710779 0.74767404 0.7498912 0.96408609 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 22591-21-5 31432 144207329 A A 1,1-Dichloro-3,3-dimethylbutan-2-one CC(C)(C)C(=O)C(Cl)Cl Tox21_200131 -NCGC00254744-01 196719589 tox21-ror-cho-viability-p1 set3 -2.1 20.3048538697 -119.5811709682 7.2110847802 -112.370086188 2.2526478767 0.9422001456 0.0000184631 11.76764001 9.11109906 16.82746586 4.80095036 4.75319048 12.76446249 3.62899734 3.99640671 -1.39277862 1.56836969 3.10358075 0.98637519 1.62063148 -79.18263755 -94.11229999 6.913E-10 1.546E-9 3.457E-9 7.729E-9 1.728E-8 3.8649999999E-8 8.6409999999E-8 1.932E-7 4.3209999999E-7 9.661E-7 0.00000216 0.000004831 0.0000108 0.000024149999999 0.000054009999999 71751-41-2 6434889 144211158 A F Abamectin CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]2[C@@H](OC)C[C@@H](O[C@H]2C)O[C@@H]3C(C)=CC[C@@H]6C[C@H](OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OCC(=CC=C[C@@H]3C)[C@@]45O)C[C@@]7(O6)C=C[C@H](C)[C@H](O7)[C@@H](C)CC Tox21_300841 -NCGC00091205-03 196720005 tox21-ror-cho-viability-p1 set3 4 -6.10627793 -6.56090586 -6.31905252 0.5884474 1.45074801 1.56221992 -5.99658444 2.39069662 -5.32798912 2.79567058 -3.04408021 -6.06767445 -5.64200977 2.07702859 -1.25126894 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00254577-01 196719583 tox21-ror-cho-viability-p1 set3 -3 27.3060203028 -30.7581039236 -5.488144408 -36.2462483316 4.9549173134 0.7469306733 0.0263845382 -11.67635525 -16.30389672 -9.13679546 -6.83056748 -8.73878603 -6.83303553 -7.87089707 -2.60457464 -3.24471762 -1.24012034 -1.85109041 -3.91758225 -6.61784178 -35.53553758 -21.6466914 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-27-9 7551 144210986 A F Barban Clc1cc(NC(=O)OCC#CCCl)ccc1 Tox21_300669 -NCGC00254140-01 196719996 tox21-ror-cho-viability-p1 set3 4 3.46894147 10.16195597 -1.12103196 3.74382547 9.5100161 -4.8445483 -3.50939113 10.22017758 8.88821552 9.27429029 -0.36481987 2.22171207 2.74425287 -4.27641763 5.68912155 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-48-7 335 144210341 A A o-Cresol Cc1ccccc1O Tox21_300021 -NCGC00257526-01 196720414 tox21-ror-cho-viability-p1 set3 4 0.6113056486 8.4220228161 0.5779771839 9 4.9549173134 0.52274466 0.1750766316 4.36432811 -5.35168568 0.73051829 10.16417116 -4.25634151 2.26935395 -1.93015575 -3.50895524 8.07568565 5.75788503 8.97357324 9.23219518 10.51517531 8.80191669 3.86453893 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 660-68-4 10197650 144211404 A Diethylamine hydrochloride Cl.CCNCC Tox21_301087 -NCGC00254844-01 196720417 tox21-ror-cho-viability-p1 set3 4 -5.9597649 -10.88548672 -1.21030794 2.44166841 0.38845094 -6.75841971 2.17687465 1.10251281 3.55868973 -5.33391512 -8.40542017 -8.07974757 2.74726553 2.29788259 2.84458393 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 487-06-9 2775 144211259 A A 5,7-Dimethoxy-2H-chromen-2-one COc2cc(cc1OC(=O)C=Cc12)OC Tox21_300942 -NCGC00254610-01 196720419 tox21-ror-cho-viability-p1 set3 4 -0.91415152 -6.97078721 2.24762446 -6.85977004 2.20530858 -2.10183373 -8.79890679 -7.5223894 -8.80954015 -19.59456545 -7.74942439 -16.39098781 1.65943412 3.78912639 -9.16068193 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1014-70-6 13905 144211019 A A Simetryn CSc1nc(NCC)nc(NCC)n1 Tox21_300702 -NCGC00090942-03 196720432 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -92.5196872338 -2.96923479 -95.4889220238 4.9549173134 0.9777094176 8.88E-8 -2.62835434 -7.46200377 -4.25519372 -10.77576118 -1.13941524 -1.07298941 -3.75354215 -1.48549834 -3.87692469 -1.509742 -0.22357332 -4.02481157 -0.13877607 -7.47213918 -78.16581113 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00255028-01 196720827 tox21-ror-cho-viability-p1 set3 4 10.11650516 1.1075642 10.47178907 5.15482321 8.09518872 -3.49818739 7.5707099 14.74181659 8.44453207 0.10578017 14.78559428 -2.46654358 5.69560194 9.30758356 5.96038088 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 499-83-2 10367 144211446 A A 2,6-Pyridinedicarboxylic acid OC(=O)c1cccc(n1)C(=O)O Tox21_301129 -NCGC00254028-01 196720833 tox21-ror-cho-viability-p1 set3 4 0.0385707789 25.049666776 -19.549666776 5.5 0.2 0.5771308711 0.1142648666 -9.01148248 -16.29138898 -3.52689775 -13.87639085 -6.35856078 -3.8902486 -3.56117286 -3.450977 -4.51865917 -0.6972226 -4.91254244 -1.37476026 -5.03718108 1.44718504 4.74321327 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-02-0 7540 144210322 F Triphenyl phosphite O(P(Oc1ccccc1)Oc2ccccc2)c3ccccc3 Tox21_300002 -NCGC00254396-01 196720834 tox21-ror-cho-viability-p1 set3 4 0.0104739677 -8.689113008 9.5 0.810886992 4.9549173134 0.4257467271 0.2476032892 -0.1788151 11.45239178 18.06277978 2.30234942 -5.57426084 0.80624938 0.26926447 1.98057065 3.17010117 4.92241382 -1.11905713 1.09967105 -0.84479115 2.22790345 0.32840696 1.144E-9 2.559E-9 5.7219999999E-9 1.2789999999E-8 2.861E-8 6.397E-8 1.4299999999E-7 3.199E-7 7.1519999999E-7 0.0000015989999999 0.0000035759999999 0.000007996 0.000017879999999 0.000039979999999 0.0000894 486-56-6 854019 144210932 A A Cotinine CN2C(=O)CC[C@H]2c1cnccc1 Tox21_300615 -NCGC00259819-01 196721669 tox21-ror-cho-viability-p1 set3 4 -2.09137748 4.66734209 0.19671732 7.65385492 0.55684155 -0.22909382 0.83988844 0.16940349 1.42591334 -0.51778728 -0.410753 1.39441791 1.02880888 -1.06869572 -1.71295043 1.195E-9 2.6729999999E-9 5.9769999999E-9 1.337E-8 2.989E-8 6.683E-8 1.494E-7 3.341E-7 7.4709999999E-7 0.000001671 0.000003736 0.000008353 0.000018679999999 0.00004177 0.00009339 1861-40-1 2319 144209468 A A Benfluralin [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCCC)CC)C(F)(F)F Tox21_202270 -NCGC00258660-01 196702782 tox21-ror-cho-viability-p1 set1 4 2.92581824 0.71513566 0.38107606 2.6772358 -2.14659617 -1.65904627 1.44334421 4.89695067 7.03013203 0.0270903 -0.36589438 1.74740312 2.86968889 1.12490376 0.20296441 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-10-1 7909 144208306 FNS 4-Methyl-2-pentanone CC(C)CC(C)=O Tox21_201108 -NCGC00257578-01 196702793 tox21-ror-cho-viability-p1 set1 4 2.78771259 0 -3.55541331 -4.03802176 0.48562581 -10.08101692 1.26313821 -11.29693821 2.09436527 1.4112592 -0.20454331 4.67973394 3.19917432 0.00855181 3.69143255 1.2009999999E-9 2.686E-9 6.007E-9 1.3429999999E-8 3.003E-8 6.716E-8 1.5019999999E-7 3.358E-7 7.509E-7 0.000001679 0.000003754 0.0000083949999999 0.000018769999999 0.00004197 0.00009386 78-84-2 6561 144207222 FC 2-Methylpropanal CC(C)C=O Tox21_200024 -NCGC00260320-01 196703204 tox21-ror-cho-viability-p1 set1 4 2.35987489 -0.06724774 3.45094566 -0.6845421 0.70273381 2.41726104 0.91490487 1.315289 1.14880609 0.34618636 -0.50045209 -0.14940639 3.50054043 -0.05677839 -0.09217743 5.94E-11 1.328E-10 2.97E-10 6.641E-10 1.485E-9 3.321E-9 7.4249999999E-9 1.66E-8 3.712E-8 8.301E-8 1.8559999999E-7 4.151E-7 9.281E-7 0.000002075 0.000004641 15721-78-5 85069 144209971 A 4,4'-bis(1,1,3,3-Tetramethylbutyl)diphenylamine CC(C)(C)CC(C)(C)c1ccc(cc1)Nc2ccc(cc2)C(C)(C)CC(C)(C)C Tox21_202773 -NCGC00357285-01 196703214 tox21-ror-cho-viability-p1 set1 4 0.12304298 -1.47275212 -4.67908365 -0.55884783 -3.97622734 0.21348085 1.62923396 -3.5805437 -2.03258948 -3.54650731 -8.13125575 -7.48689493 1.64623092 -12.48333812 -2.35738789 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 64091-91-4 47289 251919642 F 4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone O=C(CCCN(C)N=O)c1cccnc1 Tox21_303771 -NCGC00260051-01 196704032 tox21-ror-cho-viability-p1 set1 4 0.1028267293 -17.9377384479 3 -14.9377384479 0.3 0.6229628451 0.0813496841 0.16087728 1.57071863 -3.60366954 -4.74762329 -6.74253536 -6.27384939 -11.86884923 -3.6800096 -0.54451869 -9.93185013 -13.56549665 -9.65756 -14.11478204 -11.29020256 -13.98288336 1.2399999999E-9 2.772E-9 6.1989999999E-9 1.386E-8 3.099E-8 6.9299999999E-8 1.55E-7 3.4649999999E-7 7.748E-7 0.000001733 0.000003874 0.000008663 0.00001937 0.00004331 0.00009685 1277-43-6 92884 144209700 Fc Cobaltocene [Co+2].[c-]1cccc1.c1[c-]ccc1 Tox21_202502 -NCGC00260315-01 196704040 tox21-ror-cho-viability-p1 set1 4 -3.21198653 -2.51854713 -3.51680215 2.03117878 0.83064595 -0.89764834 -4.02975804 -1.08429322 -0.1472787 -6.16585223 -2.30654798 3.17793893 -0.67448277 0.11016299 1.29148605 3.234E-10 7.2319999999E-10 1.6169999999E-9 3.6159999999E-9 8.0859999999E-9 1.8079999999E-8 4.043E-8 9.0399999999E-8 2.021E-7 4.5199999999E-7 0.000001011 0.0000022599999999 0.000005053 0.0000113 0.000025269999999 112-39-0 8181 144209966 Fns Methyl hexadecanoate O=C(CCCCCCCCCCCCCCC)OC Tox21_202768 -NCGC00356962-01 196704044 tox21-ror-cho-viability-p1 set1 4 -6.43240775 2.8435591 -1.20830854 -12.39728822 -0.16536405 -0.68136909 -8.837485 -17.52039568 -5.71970296 -3.63891141 -4.48918588 0.7740378 -0.968979 0.94822642 -4.63169179 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 29548-30-9 94403 251919812 I Farnesyl acetate CC(=O)OCC=C(C)CCC=C(C)CC\C=C(/C)C Tox21_303761 -NCGC00260135-01 196704047 tox21-ror-cho-viability-p1 set1 -2.2 12.1059585755 -46.6016183783 -3.536590362 -50.1382087403 0.7999999999 0.8480738275 0.0023851154 0.85918884 1.2744197 -13.34486296 -5.806844 -1.29995054 2.38241215 -13.41793751 -6.36196957 -1.00428286 -12.14274854 -9.86527682 -19.47930587 -22.81956196 -33.27165409 -37.98349147 5.9909999999E-10 1.34E-9 2.996E-9 6.698E-9 1.498E-8 3.349E-8 7.4889999999E-8 1.675E-7 3.7449999999E-7 8.373E-7 0.000001872 0.0000041859999999 0.000009361 0.000020929999999 0.00004681 598-64-1 221511 144209785 F Dimethyldithiocarbamic acid, dimethylamine CNC.CN(C)C(=S)S Tox21_202587 -NCGC00164542-02 196704444 tox21-ror-cho-viability-p1 set1 4 3.37339187 1.52985157 -1.95245989 0 3.75033609 0.38943594 2.49540804 2.03911936 1.26042059 0.72316881 7.21570285 5.37660755 1.47617861 3.92684826 0.52541588 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57460-41-0 68770 170466514 A Talinolol O=C(NC1CCCCC1)Nc2ccc(OCC(O)CNC(C)(C)C)cc2 Tox21_112171_1 -NCGC00091225-06 196704446 tox21-ror-cho-viability-p1 set1 4 -1.54072838 0.28000454 -3.1389703 -2.7799072 1.4715091 -1.49246269 0.9304616 -2.48413377 -3.3852418 1.35251774 1.73978018 -0.36758348 -2.3134587 0.51280937 -1.07636679 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80-13-7 3552 170466384 F Halazone O=S(=O)(N(Cl)Cl)c1ccc(cc1)C(=O)O Tox21_111104_1 -NCGC00167527-03 196704447 tox21-ror-cho-viability-p1 set1 4 0.70343413 0.63845283 0.31521015 -1.34213045 -0.92626537 3.27392924 0.47301142 0.84033144 0.44304984 3.73269113 3.69136646 3.72625879 3.54928483 1.86473734 -1.08323737 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 161967-81-3 656829 170466148 A Grepafloxacin hydrochloride Cl.CC1CN(CCN1)c4cc2c(C(=O)C(=CN2C3CC3)C(=O)O)c(C)c4F Tox21_112524_1 -NCGC00160424-02 196704453 tox21-ror-cho-viability-p1 set1 4 -5.5362083 -0.51412292 0.03934393 -2.25184135 -0.66274741 -2.53056186 -3.03021195 -6.6935778 4.04246022 -0.97099538 -0.04677369 -1.33930484 -0.31594707 -0.40961196 -1.01283577 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5843-53-8 160796 170465619 A Clobenzorex hydrochloride Cl.Clc2ccccc2CNC(C)Cc1ccccc1 Tox21_111806_1 -NCGC00258765-01 196702809 tox21-ror-cho-viability-p1 set1 4 26.0290011384 18.4515329279 -2.4515329279 16 1.271561 0.8247090943 0.0045541365 0.49129075 -2.96770331 -3.48196118 -0.3171512 -1.54532064 -1.38355266 -7.87627744 -2.14383613 0.51546124 -5.1563313 0.22648965 -0.19509592 7.03493854 8.14154495 13.86247302 1.2479999999E-9 2.791E-9 6.24E-9 1.395E-8 3.1199999999E-8 6.976E-8 1.56E-7 3.488E-7 7.7999999999E-7 0.000001744 0.0000039 0.00000872 0.0000195 0.0000436 0.0000975 142-82-5 8900 144208411 FNS Heptane CCCCCCC Tox21_201213 -NCGC00258337-01 196701993 tox21-ror-cho-viability-p1 set1 4 -0.47626035 -0.70428773 1.2475833 7.04690482 1.5737628 5.02873444 10.16849034 1.86512578 3.13897291 0.4743146 0.7720748 1.06152656 3.94845664 1.95846602 11.20719848 1.1379999999E-9 2.545E-9 5.6909999999E-9 1.2729999999E-8 2.8449999999E-8 6.363E-8 1.423E-7 3.1809999999E-7 7.114E-7 0.0000015909999999 0.0000035569999999 0.000007953 0.00001778 0.00003977 0.00008892 120-93-4 8453 144207981 A A Ethylene urea O=C1NCCN1 Tox21_200783 -NCGC00260221-01 196712251 tox21-ror-cho-viability-p1 set2 4 77.6637265632 21.7707583881 0.2292416119 22 4.9549173134 0.4795065164 0.1970201781 -0.40042679 0.41939309 3.7251351 2.96037071 1.31712871 -2.15380851 3.36221438 -0.77311329 2.75742902 -0.94768142 -1.68323135 3.62231362 2.36444892 -13.97563199 18.32673667 1.189E-9 2.658E-9 5.943E-9 1.3289999999E-8 2.971E-8 6.6439999999E-8 1.486E-7 3.3219999999E-7 7.428E-7 0.0000016609999999 0.000003714 0.000008305 0.00001857 0.00004152 0.00009285 NOCAS_49387 44373822 144209871 F 1-Methyl-1-propylpiperidinium trifluoromethanesulfonate O/C(=N/C(CCCCCCCCCCCCCC)CO)CCCCCCCCCCCCCC Tox21_202673 -NCGC00091902-08 196711842 tox21-ror-cho-viability-p1 set2 4 24.3365162115 -14.169386144 0 -14.169386144 0.3 0.4283858765 0.2636395446 -0.39092085 2.04905251 -1.23801498 -5.449634 -0.30072692 -0.53195905 -4.25505322 -5.65685969 0.10622602 -6.55968962 -0.55033725 -9.37794368 -4.00950368 -10.14115512 6.06141851 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00260507-01 196712244 tox21-ror-cho-viability-p1 set2 4 27.6117615216 -17.5839705159 -0.5 -18.0839705159 4.9549173134 0.4374022527 0.2358521447 -2.83785021 5.2217579 -1.79205772 3.26682325 5.59841779 -21.31997543 -2.1066427 4.13983737 -1.21887075 0.16585283 -1.27008555 0.54336321 0.88332693 -18.50614947 -15.9158212 1.191E-9 2.663E-9 5.954E-9 1.331E-8 2.977E-8 6.657E-8 1.489E-7 3.3279999999E-7 7.4429999999E-7 0.0000016639999999 0.000003721 0.0000083209999999 0.00001861 0.000041609999999 0.00009303 10373-78-1 25208 144210159 Ac Fc (+)Camphorquinone CC2(C)C1CCC2(C)C(=O)C1=O Tox21_202961 -NCGC00357009-01 196712249 tox21-ror-cho-viability-p1 set2 4 26.6032120037 14 2 16 0.7 0.5827015466 0.1112753748 2.02635506 3.74869194 1.73960968 2.1948331 3.28327437 2.34359904 2.43912591 5.73415934 6.6282969 2.86006743 2.35986839 0.16522295 5.62425991 10.03317695 12.30221396 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60-25-3 93550 251919802 A N,N,N,N',N',N'-Hexamethylhexane-1,6-diaminium dichloride [Cl-].[Cl-].C[N+](C)(C)CCCCCC[N+](C)(C)C Tox21_303898 -NCGC00357198-01 196712255 tox21-ror-cho-viability-p1 set2 4 1.65708386 0.39242205 -0.01181698 3.28419887 2.18376529 6.79324872 5.6654569 7.61883923 8.05921941 5.79388941 5.50667504 4.20382608 7.30758357 7.56060144 9.17828583 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-29-8 8173 251919855 A 1-Bromodecane BrCCCCCCCCCC Tox21_303974 -NCGC00260035-01 196712265 tox21-ror-cho-viability-p1 set2 4 53.3212255988 -17.622071368 4.5 -13.122071368 3.9899729863 0.7270192028 0.0273075211 3.0223798 6.1600842 2.98264572 3.54837313 0.190691 -0.35254542 6.88886176 6.08092403 8.61489937 7.61032479 2.96289168 6.17470431 5.54468738 0.29527178 -11.35172614 1.159E-9 2.592E-9 5.795E-9 1.2959999999E-8 2.898E-8 6.479E-8 1.449E-7 3.24E-7 7.244E-7 0.00000162 0.000003622 0.000008099 0.000018109999999 0.00004049 0.000090549999999 532-82-1 10771 144209684 A C C.I. Basic Oange 2 Cl.Nc2ccc(\N=N/c1ccccc1)c(N)c2 Tox21_202486 -NCGC00016613-10 196712662 tox21-ror-cho-viability-p1 set2 4 -0.34343939 1.84460585 -3.00748308 -1.80011972 -3.24213522 -0.40243744 1.8826348 -1.82787545 -0.49875277 1.71383491 0.21093816 -4.51241574 -4.54330018 0.81951876 -3.28844517 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2508-72-7 17275 170464765 A Antazoline hydrochloride Cl.C(c1ccccc1)N(CC2=NCCN2)c3ccccc3 Tox21_110524_1 -NCGC00179341-04 196712665 tox21-ror-cho-viability-p1 set2 4 33.4914596268 12.606079072 -0.106079072 12.5 4.9549173134 0.9723186778 3.241E-7 -0.08100558 -0.18676558 -0.92173256 0.37169319 0.46568861 -0.12490683 -0.07225322 -0.83840768 0.73934257 0.25384731 0.10177266 -0.24468049 0.36899495 1.01111148 10.38344193 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 99614-02-5 4595 170464701 A Ondansetron O=C1C(CCc3c1c2ccccc2n3C)Cn4ccnc4C Tox21_113048_1 -NCGC00168342-02 196711871 tox21-ror-cho-viability-p1 set2 4 -3.37218161 -3.3075422 -3.98259434 -4.32023815 -3.27297617 0 -2.95535702 -12.85638242 -3.04402587 -0.6895212 -8.32403712 0 0 -8.7783661 -11.08728739 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00259338-01 196711458 tox21-ror-cho-viability-p1 set2 4 17.369196515 -13.8659552599 2.5 -11.3659552599 4.9549173134 0.5603509309 0.1271248771 0.29739059 -0.37815581 -1.24607827 0.27585378 3.10875351 -0.46869167 0.04043393 -2.28030237 5.60043419 7.7814502 3.26900146 15.02637911 -6.80732167 -9.48841279 -12.38829605 1.188E-9 2.656E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.639E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.000003712 0.000008299 0.00001856 0.0000415 0.00009279 91-44-1 7050 144208987 A A 7-Diethylamino-4-methylcoumarin CCN(CC)c1ccc2c(c1)OC(=O)C=C2C Tox21_201789 -NCGC00260306-01 196711853 tox21-ror-cho-viability-p1 set2 4 3.1504221388 10.256381856 -9.256381856 1 4.9549173134 0.3427230882 0.326834913 -3.82307226 -3.34391828 -6.07353592 -11.18871063 -6.7513409 -18.54698488 -10.8356692 0 -15.56784467 -17.66078685 -4.73957926 -12.44656122 0 -0.88410348 1.79635834 2.602E-10 5.8189999999E-10 1.301E-9 2.9099999999E-9 6.506E-9 1.455E-8 3.253E-8 7.274E-8 1.627E-7 3.637E-7 8.133E-7 0.0000018189999999 0.000004066 0.000009093 0.000020329999999 92-94-4 7115 144209957 A 1,1':4',1''-Terphenyl c1cc(ccc1)c2ccc(cc2)c3ccccc3 Tox21_202759 -NCGC00090874-04 196711866 tox21-ror-cho-viability-p1 set2 4 21.9549021827 -11.729795592 3.5 -8.229795592 4.5044702849 0.6047396896 0.1085071404 1.54898733 -0.0718475 0.54412418 1.04017146 4.24425456 1.22592573 6.38527937 8.20923505 5.33516953 3.23418541 3.72080628 5.24367951 -0.63418837 -7.27482966 -1.45876672 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00260611-01 196724826 tox21-ror-cho-viability-p1 set3 4 1.0590929458 23.36920782 -9.36920782 14 0.2 0.6221715241 0.0819802774 -8.22433985 -4.12440339 -0.35723652 -3.63222899 0.48296662 -4.98339568 0.19763849 -1.2277751 4.32792376 0.45916253 -0.21768433 8.69465509 0.49865539 3.73771914 10.37659678 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49507 144210264 M M NTP Mix14 AR1 8-EQC Tox21_203066 -NCGC00260449-01 196724419 tox21-ror-cho-viability-p1 set3 2.4 24.5346421974 23.70507246 -0.20507246 23.5 4.0949729863 0.8046894082 0.0101569984 -0.01813482 -8.50422705 -0.83142462 -1.27929244 -0.92167851 -0.69469538 1.9042269 2.87763389 0.53437183 2.58316113 2.82936751 1.14627655 6.10849599 21.01735852 9.43176896 1.188E-9 2.657E-9 5.941E-9 1.3279999999E-8 2.9699999999E-8 6.642E-8 1.4849999999E-7 3.321E-7 7.426E-7 0.0000016609999999 0.000003713 0.000008303 0.00001856 0.000041509999999 0.00009282 81103-11-9 5284534 144210101 A Clarithromycin CN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]2C(C)[C@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)OC)[C@@H]3O Tox21_202903 -NCGC00357064-01 196724425 tox21-ror-cho-viability-p1 set3 4 0.0061130565 6.127648368 -4.127648368 2 4.9549173134 0.5096852193 0.1722109206 -3.06854188 -5.10637364 -0.97287357 1.36485138 2.18551077 3.97124877 2.2955981 1.00130832 -0.72721249 1.26149508 2.64421097 -1.1992253 5.6440308 0.46280514 7.28094744 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-04-6 7973 251919849 Ac 2-Bromopyridine Brc1ccccn1 Tox21_303772 -NCGC00259802-01 196724427 tox21-ror-cho-viability-p1 set3 -2.2 63.2502758767 -37.1705132079 -3 -40.1705132079 1.8851180601 0.7749042805 0.0129128418 -8.98134669 -2.31563981 -3.0664102 -5.37772801 0.69173103 3.82321447 -2.56097199 -1.91748035 -5.16302971 -10.22790802 1.00823889 1.30750353 -10.24143268 -13.91387521 -30.14209434 1.214E-9 2.7139999999E-9 6.0679999999E-9 1.357E-8 3.034E-8 6.7839999999E-8 1.517E-7 3.3919999999E-7 7.5849999999E-7 0.000001696 0.0000037919999999 0.00000848 0.00001896 0.000042399999999 0.00009481 136-35-6 8689 144209451 F F Diazoaminobenzene N(=N/Nc1ccccc1)\c2ccccc2 Tox21_202253 -NCGC00357045-01 196724830 tox21-ror-cho-viability-p1 set3 4 -7.57998717 9.19024378 0.36444373 -4.54789817 -9.01495721 4.07418034 -2.8187478 0.34718254 1.67993602 3.65368791 2.76359978 5.77829832 2.03159531 3.85596305 9.02057293 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 364-76-1 67768 251919897 F 4-Fluoro-3-nitroaniline O=[N+]([O-])c1cc(N)ccc1F Tox21_303736 -NCGC00357258-01 196724840 tox21-ror-cho-viability-p1 set3 4 13.08017117 -2.03576118 0.13543388 14.7134076 -6.82083233 1.98538575 4.83114648 4.18601884 -4.52866525 0.27581148 -0.69533072 -4.74359518 -2.15941456 -0.238231 8.34066024 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-90-5 7728 251919651 Ac 5-Ethyl-2-methylpyridine CCc1cnc(C)cc1 Tox21_303710 -NCGC00090780-04 196724510 tox21-ror-cho-viability-p1 set3 4 30.6378586933 -9.742801676 -1 -10.742801676 4.9549173134 0.5787690069 0.1136141339 -4.65389328 -2.58793902 -5.12852582 -5.35412536 0.19526455 -3.56099134 -0.47824331 2.7276084 0.6247759 1.35625365 2.26099635 -1.44652759 -0.3160423 -9.97575659 -10.20233473 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00356957-01 196724490 tox21-ror-cho-viability-p1 set3 4 -4.43084868 -0.33804455 -1.00292924 -4.86222919 -2.71719313 -2.67259127 -0.52229641 -3.91703007 -1.16981964 -1.61626697 -0.36566606 1.19290351 -0.81019375 -12.01373854 -5.42804293 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135590-91-9 10937610 251919735 A Mefenpyr-diethyl O=C(OCC)C2(C)CC(=NN2c1ccc(Cl)cc1Cl)C(=O)OCC Tox21_304023 -NCGC00260309-01 196724493 tox21-ror-cho-viability-p1 set3 4 -3.37453474 -0.92067298 3.68981382 4.17024816 5.75834243 -2.03203914 5.93543838 4.6552316 -2.03009758 4.91178597 3.24702161 -1.14982312 4.2853782 1.55518423 7.89206322 2.859E-10 6.393E-10 1.43E-9 3.197E-9 7.148E-9 1.598E-8 3.574E-8 7.9909999999E-8 1.7869999999E-7 3.996E-7 8.9349999999E-7 0.0000019979999999 0.000004467 0.000009989 0.00002234 32360-05-7 122600 144209960 Fns Stearyl methacrylate C=C(C)C(=O)OCCCCCCCCCCCCCCCCCC Tox21_202762 -NCGC00357240-01 196724504 tox21-ror-cho-viability-p1 set3 2.4 27.3060203028 38.9601978599 -6.9601978599 32 0.4 0.8055593494 0.007066079 -5.42127434 -6.63969575 -5.69456485 -11.21683155 -1.09453346 -1.32427697 -1.73607289 -2.24954106 -1.22918513 2.42251329 10.08471402 9.05641748 5.91375135 7.44372577 24.8259422 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 64436-13-1 47364 251919986 A Arsenobetaine C[As+](C)(C)CC([O-])=O Tox21_304031 -NCGC00357203-01 196724911 tox21-ror-cho-viability-p1 set3 -2.4 8.6349217992 -29.183219152 -0.5 -29.683219152 2.3531167061 0.8457743161 0.0039063288 -6.54421096 -0.06376693 3.77771286 -0.18931817 -1.4682646 2.47674644 8.97427019 -7.03070224 -6.04717643 -1.36025337 -2.08473703 -15.04464358 -24.56285067 -29.73601596 -1.35929254 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 35958-30-6 118899 251919745 A Tetrabutyl ethylidenebisphenol CC(C)(C)c2cc(cc(C(C)c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)c2O)C(C)(C)C Tox21_303979 -NCGC00249932-01 196725320 tox21-ror-cho-viability-p1 set3 4 -8.76363549 -1.1776361 3.31324927 11.51085142 15.42009801 -9.6474588 17.37699363 -2.4122792 -6.88594524 14.98883444 14.54881692 20.4018845 -7.9503606 -0.04347998 1.33104554 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 38957-41-4 3221 170465843 A A Emorfazone CCOC1=C(C=NN(C)C1=O)N2CCOCC2 Tox21_113708 -NCGC00024778-02 196723311 tox21-ror-cho-viability-p1 set3 4 -2.14349206 -2.09322778 0 -5.97953498 0.75534306 0 0 0 3.97255834 0.20903535 1.84960077 -0.20929122 -4.34586566 -3.16434577 0.8037564 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 90293-01-9 2377 170465900 A Bifemelane CNCCCCOc2ccccc2Cc1ccccc1 Tox21_110926_1 -NCGC00016479-11 196723709 tox21-ror-cho-viability-p1 set3 4 26.6032120037 8.7297913641 0.2702086359 9 4.9549173134 0.3973822237 0.2767945347 -1.56344485 -4.35815947 2.7338026 0.89747 -0.39080051 0.81973169 -1.51338101 -3.06544122 4.50894402 6.13501962 0.83434935 -0.34842376 -1.79882064 2.35365715 8.62686291 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 519-37-9 1892 170466156 A Etofylline O=C2c1n(cnc1N(C)C(=O)N2C)CCO Tox21_110447_1 -NCGC00164529-04 196722899 tox21-ror-cho-viability-p1 set3 4 2.72296992 0.77924394 -3.28009945 2.53962292 0 1.23992163 3.63633141 2.17226404 1.497214 3.46577836 2.35158282 1.54377681 -1.23374343 -0.00245483 4.29997171 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123-94-4 24699 170465522 F 1-Stearoyl-rac-glycerol OCC(O)COC(=O)CCCCCCCCCCCCCCCCC Tox21_112160_1 -NCGC00179663-03 196723315 tox21-ror-cho-viability-p1 set3 4 -1.63349447 -0.09103298 -0.68773651 -0.02319761 1.65044383 1.74349123 5.35231196 7.63945712 -2.31943565 0.44325692 -3.72371222 -8.42110772 2.30809492 3.52562626 7.56095856 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 159701-44-7 6321253 170465966 A (-)-(5S,8R)-Lisuride CCN(CC)C(=O)N[C@@H]2C=C1c3cccc4ncc(C[C@@H]1N(C)C2)c34 Tox21_112019_1 -NCGC00260518-01 196723715 tox21-ror-cho-viability-p1 set3 4 -2.60662074 5.65618219 3.76233472 -1.99118727 7.79318717 -1.61076584 -3.41805775 2.65897804 -4.07943468 -0.08368113 1.08622387 -2.69736979 -4.57990835 -3.85189959 -2.00238534 1.2009999999E-9 2.6849999999E-9 6.0029999999E-9 1.3419999999E-8 3.0009999999E-8 6.711E-8 1.501E-7 3.356E-7 7.5029999999E-7 0.0000016779999999 0.0000037519999999 0.0000083889999999 0.00001876 0.00004195 0.00009379 1210-35-1 14589 144210170 A A Dibenzosuberone O=C1c3ccccc3CCc2ccccc12 Tox21_202972 -NCGC00260416-01 196724123 tox21-ror-cho-viability-p1 set3 4 0.0048409629 10.576312808 -1.576312808 9 4.9549173134 0.3637690143 0.3069085327 0.74617359 -3.39692734 6.85312281 8.44595129 10.98068747 14.25824696 13.21437391 12.61828061 8.98366554 16.74473103 2.92584976 -0.86735766 5.55086168 3.5271247 10.88520853 1.177E-9 2.6319999999E-9 5.886E-9 1.316E-8 2.943E-8 6.5809999999E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.000003679 0.000008226 0.00001839 0.00004113 0.000091969999999 765-09-3 13000 144210068 Ac Fc Tridecane,1-bromo- BrCCCCCCCCCCCCC Tox21_202870 -NCGC00357093-01 196724137 tox21-ror-cho-viability-p1 set3 -2.2 61.130564862 -70.4097126672 -1.06081657 -71.4705292372 2.8472712143 0.9036205542 0.0002674885 -5.80133379 -8.13685679 -2.03235103 -8.79500635 3.99030778 -5.44138189 1.03913231 -1.02783243 6.08503749 -2.35403817 4.13944155 4.62125535 -4.24434374 -18.69641036 -54.52312821 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2682-20-4 39800 251919715 A 2-Methyl-3(2H)-isothiazolone O=C1C=CSN1C Tox21_303814 -NCGC00160364-02 196697968 tox21-ror-cho-viability-p1 set1 4 -0.57366006 -1.87928964 1.00642091 1.4902125 2.06088112 0.53251753 1.15348432 -4.10326123 -1.79137261 -4.03219808 -0.15118897 -4.89867654 -1.32841434 1.17586269 -0.27486374 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 104-22-3 66909 170466263 A Benzylsulfamide Nc1ccc(cc1)S(=O)(=O)NCc2ccccc2 Tox21_111765_1 -NCGC00167473-02 196697983 tox21-ror-cho-viability-p1 set1 4 -0.00580092 -5.09614527 0.33288502 -5.070809 -0.29664597 -2.73287794 -0.24119597 -0.23850888 -3.53323053 0.27811766 -0.11383 1.34544469 2.58479445 2.18623576 1.68541699 5.899E-12 1.319E-11 2.949E-11 6.595E-11 1.475E-10 3.2969999999E-10 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 33490-33-4 20055082 170465401 F Capreomycin IB NCCC[C@H](N)CC(=O)NC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](N)CNC(=O)[C@@H](NC(=O)C(\NC1=O)=C\NC(N)=O)[C@@H]2CCNC(N)=N2 Tox21_112477_1 -NCGC00253619-01 196697987 tox21-ror-cho-viability-p1 set1 4 0.90151316 4.14049078 -0.88149043 1.6472832 0.10242021 -0.0071907 1.13405627 -6.53542275 -0.0528345 2.17286173 0.1785572 0.10757142 2.99699118 1.22855676 -0.62858926 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3874-54-2 19750 170466673 F C 4-Chloro-1-(4-fluorophenyl)-1-butanone O=C(CCCCl)c1ccc(F)cc1 Tox21_113749 -NCGC00160363-03 196697993 tox21-ror-cho-viability-p1 set1 4 -1.19931035 0.84101483 -4.32792376 -0.91915252 -2.32950263 1.43869653 1.06692558 -1.9379789 -5.068342 -0.85681188 -0.73266875 -2.83235852 1.34356977 -4.70685114 -1.29746085 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 30103-44-7 65770 170466411 A Bumecaine CCCCN2CCCC2C(=O)Nc1c(C)cc(C)cc1C Tox21_111764_1 -NCGC00091775-03 196698386 tox21-ror-cho-viability-p1 set1 -2.2 54.4826732819 -47.9650574388 1.366116492 -46.5989409468 1.692447691 0.9173787749 0.0001222435 1.9138436 -3.59180514 0.87588046 -0.12872025 4.08014208 2.47715389 1.89298874 6.03660709 4.13546226 -2.82280722 0.76448838 0.20495196 -10.27435832 -13.83430275 -35.30222799 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00168085-05 196698409 tox21-ror-cho-viability-p1 set1 -1.1 7.4978038628 -81.0903426086 0.413207217 -80.6771353916 1.34431 0.9962111082 0 2.71147117 -1.38913601 1.43003157 2.62646951 -2.17953755 0.09689036 -0.0758516 0.4116199 -1.04359443 -5.83071768 -8.590309 -26.3539075 -45.19906676 -65.14936074 -73.15645666 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 149647-78-9 5311 170465180 A Vorinostat (SAHA) O=C(Nc1ccccc1)CCCCCCC(=O)NO Tox21_112605_1 -NCGC00159452-03 196705322 tox21-ror-cho-viability-p1 set1 4 -3.24220166 -2.39103166 -4.89766468 3.07725425 -2.78008945 0.17073304 -0.53655183 0.19312992 1.67936033 4.87245514 -0.12242232 0.56050981 2.82680239 -0.57998046 2.87556116 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68367-52-2 337359 170466611 A Sorbinil Fc2ccc3OCC[C@]1(NC(=O)NC1=O)c3c2 Tox21_111679_1 -NCGC00159378-04 196704885 tox21-ror-cho-viability-p1 set1 4 1.12460836 1.20426043 -1.25502951 1.57823895 2.86187475 0.48314333 -2.51016973 3.52559017 2.48035904 2.76634271 0.77289658 0.58823007 0.99603787 5.20549196 4.95676837 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-88-1 60962 170466834 F Phenylhydrazine hydrochloride Cl.NNc1ccccc1 Tox21_111618_1 -NCGC00181761-01 196705306 tox21-ror-cho-viability-p1 set1 4 -5.22081336 -5.31652977 -3.80534072 -3.75642485 -3.70902427 -6.03619039 -4.28420857 -2.14716351 -1.96148166 -1.86038508 -2.02838717 -8.17473393 0.83973548 -1.58802599 -1.88410611 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 9066-59-5 144206496 A A Lysozyme hydrochloride Tox21_112943 -NCGC00015786-16 196705309 tox21-ror-cho-viability-p1 set1 4 1.99337691 -2.72727853 -3.91686941 -3.80704033 -3.43206379 -0.07959544 -0.30318973 0.17022354 -3.66306389 2.26999657 3.55439879 0.73810844 -4.29200291 -3.44666805 -3.72693292 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13523-86-9 4828 170464892 A Pindolol CC(C)NCC(O)COc2cccc1nccc12 Tox21_110221_1 -NCGC00095042-06 196705725 tox21-ror-cho-viability-p1 set1 4 4.60490289 0.88168471 2.18725641 10.41549539 1.64885247 -0.31712412 -0.25863019 2.17217235 1.63875574 12.32601864 0.44593786 2.22500436 -0.05188966 2.82897385 7.49088141 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00259190-01 196705728 tox21-ror-cho-viability-p1 set1 -2.2 21.7120023439 -33.9982577859 -3 -36.9982577859 4.9549173134 0.8256093636 0.0064645304 -4.19733989 -0.70051204 1.06756433 -6.86100925 -0.73159768 -0.94807345 2.40925889 -5.57190279 -4.88267703 -13.72628259 -3.05273922 1.16103315 -12.56627657 -36.10949795 1.50193633 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.00009229 300-76-5 4420 144208839 D Naled COP(=O)(OC)OC(Br)C(Cl)(Br)Cl Tox21_201641 -NCGC00090965-04 196705739 tox21-ror-cho-viability-p1 set1 4 0.2433651621 15.2317601239 -14.2317601239 1 0.5 0.4618958937 0.2130983445 -16.53855274 -3.0546233 -14.0913508 -23.52646677 -2.75801252 -4.70592275 -10.12388869 -10.26606141 0.15584274 -2.44534859 -4.25897699 -0.99983756 -1.98500082 0.16773456 0.87010367 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00259185-01 196706133 tox21-ror-cho-viability-p1 set1 4 -3.78974318 -8.16960306 -10.30659961 -6.1337947 4.65959481 -7.2829243 -10.94643457 4.20414232 3.29806567 0 -13.1543179 -8.29716508 -5.15892672 0.70211618 -7.53221005 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004136 0.00009247 99-59-2 7447 144208834 A A 2-Methoxy-5-nitroaniline Nc1cc(ccc1OC)[N+]([O-])=O Tox21_201636 -NCGC00258373-01 196702005 tox21-ror-cho-viability-p1 set1 4 0.8753509 1.21099755 0.38396797 11.7937869 4.90657071 8.02141739 4.24720746 1.5187728 0.32147522 -7.83758355 0.73268931 1.36643293 8.30100443 2.66530969 -0.31120404 1.212E-9 2.71E-9 6.059E-9 1.3549999999E-8 3.03E-8 6.774E-8 1.515E-7 3.387E-7 7.5739999999E-7 0.0000016939999999 0.000003787 0.000008468 0.00001893 0.00004234 0.00009467 29911-27-1 121752 144208017 A I Butyl dipropasol solvent OC(C)COC(C)COCCC Tox21_200819 -NCGC00258102-01 196701587 tox21-ror-cho-viability-p1 set1 -2.4 21.381504486 -25.497435948 0.5 -24.997435948 4.9549173134 0.8278715104 0.0041759027 0.33309448 5.88050811 0.15875093 0.22930456 0.37841126 2.3912833 -0.17450681 5.94284333 5.32050362 -9.80736622 -2.05592754 -3.94646535 -6.58227235 -26.24786329 -23.12721498 1.166E-9 2.6069999999E-9 5.8279999999E-9 1.303E-8 2.9139999999E-8 6.516E-8 1.457E-7 3.2579999999E-7 7.286E-7 0.000001629 0.0000036429999999 0.0000081449999999 0.00001821 0.00004073 0.00009107 38713-56-3 586708 144207746 A A Nonylparaben Oc1ccc(cc1)C(=O)OCCCCCCCCC Tox21_200548 -NCGC00257803-01 196701594 tox21-ror-cho-viability-p1 set1 4 30.5132723993 -7.525179316 -1 -8.525179316 4.9549173134 0.6039825565 0.0958649995 -0.56905229 -3.42630017 -2.90820878 -0.34857783 -0.52272659 -0.4969416 0.5810379 -0.0995518 -3.96588481 -1.3941351 -1.92215397 -0.24760409 2.92608432 -9.18764943 -6.84680113 1.1759999999E-9 2.631E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.288E-7 7.3529999999E-7 0.0000016439999999 0.000003676 0.000008221 0.000018379999999 0.0000411 0.000091909999999 1522-92-5 15206 144207447 A B 3-Bromo-2,2-bis(bromomethyl)propanol BrCC(CBr)(CBr)CO Tox21_200249 -NCGC00091650-03 196701597 tox21-ror-cho-viability-p1 set1 4 -0.03597808 -0.26025628 1.48774984 4.39479843 -0.00862055 -1.27545367 3.43214248 -0.28699236 10.12029398 1.99160633 3.6171152 0.5814469 7.17607936 2.94519129 3.05376912 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00254976-01 196714369 tox21-ror-cho-viability-p1 set2 4 -1.55954313 -1.859851 0.87448106 -2.60261296 -2.91395955 0.96558264 5.11382611 0.18717115 -2.12811043 1.74804415 0.96615572 0.29032528 0.81301607 0.9501002 3.65967422 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 628-87-5 69413 144211392 A Iminodiacetonitrile N#CCNCC#N Tox21_301075 -NCGC00254250-01 196714352 tox21-ror-cho-viability-p1 set2 4 -0.04793496 1.52169946 3.44579231 -0.52336299 1.41587002 2.02613687 1.92294191 -0.21620152 0.19061411 0.23094336 2.59154075 -2.06584441 -8.84079086 9.29422065 -1.86055337 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 2795-39-3 23669238 144210862 PFOS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300544 -NCGC00255080-01 196714362 tox21-ror-cho-viability-p1 set2 4 1.13066354 0.4414814 -1.79359347 0.42514331 0.04181738 -0.0382729 -0.43277964 1.12316786 -0.10772222 0.83964209 1.26677844 6.23670207 3.11859185 4.34309951 4.95632806 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 11070-44-3 3033842 144211499 FNS Isomethyltetrahydrophthalic anhydride O=C1OC(=O)C2(C)CCCC=C12 Tox21_301182 -NCGC00254581-01 196714364 tox21-ror-cho-viability-p1 set2 -2.2 63.6881739073 -59.4455387448 -4.434698982 -63.8802377268 2.3331733767 0.8840756352 0.0006672006 0.56755217 0.09851967 0.95287033 -5.91052841 -1.07458298 -3.3902804 -7.58640618 -6.34798937 -8.1678434 -8.1477946 -13.42959657 -3.94697205 -10.92467172 -17.15398598 -48.39411949 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 3025-30-7 5281162 144210990 FC Ethyl (2E,4Z)-deca-2,4-dienoate O=C(\C=C\C=C/CCCCC)OCC Tox21_300673 -NCGC00253959-01 196714770 tox21-ror-cho-viability-p1 set2 4 -0.20956913 -2.68925604 -0.40330701 -3.51874199 -3.89226435 -4.60753166 -3.09709585 -5.79196458 -1.66510641 -4.33931604 -2.35209093 -1.75784077 1.62972062 2.0729327 -2.56313296 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-99-7 7784 144210486 A A Dibutyl hexanedioate O=C(CCCCC(=O)OCCCC)OCCCC Tox21_300166 -NCGC00254645-01 196715186 tox21-ror-cho-viability-p1 set2 4 0.086349218 -6.8939206999 1.5 -5.3939206999 1.0641 0.5999105251 0.0981335446 0.02590644 1.43591716 2.13615249 0.62165498 0.77275374 -3.09904577 -3.35079232 -1.28837299 -6.26402709 -7.5818798 -1.08194868 -4.63123806 -9.07826725 -1.69840796 -7.86395459 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2675-77-6 17581 144211056 A A Chloroneb COc1cc(Cl)c(cc1Cl)OC Tox21_300739 -NCGC00254918-01 196715188 tox21-ror-cho-viability-p1 set2 4 0.4978755 -2.33565018 -4.78457519 -3.76459565 -5.65921377 -6.55009532 -6.99034047 -7.9166595 -0.04383322 -1.73601097 -2.33163325 -3.14644037 -10.17379138 -5.4416367 -5.08235949 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 330-54-1 3120 144211333 A A Diuron Clc1ccc(NC(=O)N(C)C)cc1Cl Tox21_301016 -NCGC00164164-02 196715191 tox21-ror-cho-viability-p1 set2 4 -0.55092635 2.21492759 0.78962237 0.80553185 2.41894447 0.77127848 1.53443256 1.85104356 1.9410084 0.43494092 -1.23983891 4.40462478 2.24671721 5.07914045 2.38792081 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00253970-01 196715194 tox21-ror-cho-viability-p1 set2 4 2.03872857 -3.17151612 -0.72980252 2.40689253 -2.78857005 -0.45565035 -4.08627916 -2.06976454 -5.61085175 -5.59729532 1.20274794 -0.68266957 -4.67927852 -3.19722433 -7.59233374 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 742693-38-5 9954540 144210554 A C SSR504734 FC(F)(F)c3cccc(C(=O)N[C@H]([C@@H]1CCCCN1)c2ccccc2)c3Cl Tox21_300234 -NCGC00258196-01 196715636 tox21-ror-cho-viability-p1 set2 4 -2.23546258 -0.93761462 -3.19095784 -3.14270198 -0.75974509 -0.65292862 -4.84266008 -3.98672969 0.13966848 4.03452184 0.29067325 -3.16675419 -0.21090546 4.76688895 4.30215332 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003707 0.0000082899999999 0.00001854 0.00004145 0.00009269 2303-16-4 28700 144207840 A A Diallate ClC=C(Cl)CSC(=O)N(C(C)C)C(C)C Tox21_200642 -NCGC00253939-01 196715224 tox21-ror-cho-viability-p1 set2 4 -2.52403991 -1.91313301 3.53880363 -0.50552678 -4.75056809 -3.27776496 -0.25907486 0.84585104 0.43490269 -4.69159378 -3.59592611 -4.89961307 1.11096058 0.88768272 -0.49197474 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-76-3 7456 144210329 A A Methylparaben Oc1ccc(cc1)C(=O)OC Tox21_300009 -NCGC00163774-04 196715625 tox21-ror-cho-viability-p1 set2 4 -2.87476731 0.45257082 -2.71355591 -4.30678213 0.24782049 -2.31888715 0.99699441 1.33474975 -2.17771596 -1.37214544 -1.60592361 -1.66135725 -0.99224491 -2.00461284 0.44316314 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00258310-01 196715626 tox21-ror-cho-viability-p1 set2 4 3.04858531 2.59741185 5.82379586 2.65292009 3.45149028 3.50247582 3.04062479 3.38448789 -0.84456701 2.54647971 -0.67024982 0.08503266 -1.73518411 3.80775036 1.71490756 1.203E-9 2.6889999999E-9 6.013E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003758 0.000008404 0.000018789999999 0.00004202 0.000093959999999 50-84-0 5787 144207954 A A 2,4-Dichlorobenzoic acid OC(=O)c1ccc(Cl)cc1Cl Tox21_200756 -NCGC00255876-01 196728246 tox21-ror-cho-viability-p1 set3 4 1.97997996 -5.39851715 3.22432087 -1.36485597 -0.90956015 -2.00167443 -0.48205147 0.83783829 0.16110013 3.14942181 3.23880594 -1.12526437 1.17809408 0.22991795 1.75420489 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5116-94-9 82161 144212283 F F Monotridecyl phosphate OP(O)(=O)OCCCCCCCCCCCCC Tox21_301966 -NCGC00255243-01 196727846 tox21-ror-cho-viability-p1 set3 4 0.31727804 3.93139453 3.98129442 0.52845985 4.05080954 -0.47242256 0.14878918 6.91809567 2.91258139 1.79998626 2.48681422 0.2266607 2.58895159 -1.02826269 0.23428478 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 39515-40-7 38283 144212236 A B Cyphenothrin C/C(C)=C/C3C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C Tox21_301919 -NCGC00256225-01 196728239 tox21-ror-cho-viability-p1 set3 4 0.086349218 -7.9858066079 6.5 -1.4858066079 4.9549173134 0.4213789063 0.2516747765 1.66166515 4.36361523 5.64742934 12.1691827 8.50209926 4.40079476 -0.86647348 -7.90483884 -1.49169699 -5.49313012 -4.73183042 2.86488232 7.05723326 4.48845849 -5.26344578 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2449-05-0 75557 144211927 F D Dibenzyl diazene-1,2-dicarboxylate O=C(OCc1ccccc1)/N=N/C(=O)OCc2ccccc2 Tox21_301610 -NCGC00255770-01 196728241 tox21-ror-cho-viability-p1 set3 -1.1 15.3553036427 -71.8973301701 1.5451794849 -70.3521506852 3.5722481694 0.9811646787 3.35E-8 -4.49641701 1.46676898 -1.15889116 5.40985167 -1.79917418 6.03094218 7.74807297 4.98331194 -3.4994591 0.56690096 1.62675857 -4.69255223 -43.98155954 -71.80013218 -68.02404642 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13676-54-5 83648 144212381 A A Bismaleimide O=C1C=CC(=O)N1c2ccc(cc2)Cc3ccc(cc3)N4C(=O)C=CC4=O Tox21_302064 -NCGC00256117-01 196728247 tox21-ror-cho-viability-p1 set3 4 4.22129838 -2.43134157 0.91938396 -4.52958131 -0.25337103 -0.34876296 5.02139258 1.70068759 2.92774649 0.2813889 0.28001354 -4.72387639 -1.55832412 -2.50189826 -1.32726855 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 312693-54-2 60196419 144211730 B Fns Monosodium 8-amino-1-naphthol-3,6-disulfonate monohydrate [Na+].O.[O-]S(=O)(=O)c2cc1cc(cc(O)c1c(N)c2)S(=O)(=O)O Tox21_301413 -NCGC00256178-01 196728252 tox21-ror-cho-viability-p1 set3 4 -1.89365169 8.47050127 1.42563007 5.80008656 5.26882854 10.11645361 1.17431635 1.11706499 0.04055141 0.79407705 9.20845036 0.60164073 12.06958194 0.0386209 5.4403167 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69852-45-5 112322 144212066 A Ac 3-{[3-(Dimethylamino)propyl]amino}propanenitrile CN(C)CCCNCCC#N Tox21_301749 -NCGC00255829-01 196728653 tox21-ror-cho-viability-p1 set3 4 0.8661887 -2.89521535 -1.76227066 -0.19152626 -2.02181114 3.15869488 7.09952078 0.04966334 3.75456814 1.25119214 2.28740642 0.04071734 5.73348913 0.43818353 2.35813922 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 517-23-7 10601 144212346 F F 3-Acetyldihydro-2(3H)-furanone CC(=O)C1CCOC1=O Tox21_302029 -NCGC00253867-02 196725821 tox21-ror-cho-viability-p1 set3 4 0.22183227 3.41114482 13.92657509 0 22.15360196 9.55888324 15.99692012 0 13.02254018 14.15423068 9.3555195 16.44012036 16.20361473 14.57564085 15.59819662 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 179474-81-8 3052762 170466188 A A Prucalopride COCCCN1CCC(CC1)NC(=O)c2cc(Cl)c(N)c3CCOc23 Tox21_113885 -NCGC00183104-02 196725418 tox21-ror-cho-viability-p1 set3 4 -0.91931846 -3.95182765 -7.22753739 -4.2740061 2.6179487 -0.03532109 0.99867616 4.24779184 -4.31527541 -1.78948356 -6.4980214 1.79463382 0.10864917 1.0279097 1.27501864 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54533-86-7 4514 170466022 A Nizofenone Clc1ccccc1C(=O)c2cc(ccc2n3ccnc3CN(CC)CC)[N+]([O-])=O Tox21_112984_1 -NCGC00159400-07 196725812 tox21-ror-cho-viability-p1 set3 4 0.0421632496 -4.0986635919 3 -1.0986635919 4.9549173134 0.4434104912 0.2512159258 4.06855831 0.89325737 2.36802265 1.67469579 5.74410088 2.66817353 -3.11875342 -2.17623871 2.98009712 -5.08221966 1.53299446 -0.29573025 -1.40977126 -0.07439988 1.2368228 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 100-55-0 7510 170466803 Z Nicotinyl alcohol OCc1cccnc1 Tox21_113448_1 -NCGC00015906-04 196725818 tox21-ror-cho-viability-p1 set3 4 47.307944147 18 2 20 0.7 0.4024056226 0.2712474703 0.00994181 2.21211777 2.38958382 1.57514667 2.80436919 2.31047861 9.513197 5.21985763 2.05218624 5.93975388 4.6587403 3.60992313 2.20295831 5.29759052 15.95132644 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5464-78-8 9899402 170466663 A 1-(2-Methoxyphenyl)piperazine hydrochloride Cl.COc1ccccc1N2CCNCC2 Tox21_111273_1 -NCGC00091284-03 196725822 tox21-ror-cho-viability-p1 set3 4 -6.88654519 2.53629814 -1.48496172 1.18679486 -1.34925828 8.12604253 7.10272806 -0.38070013 5.12604078 4.12992836 7.02635023 -0.76831078 -0.12263135 -5.46662097 -4.88473334 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00016506-07 196725823 tox21-ror-cho-viability-p1 set3 4 0.026603212 6.197497876 -3.197497876 3 4.9549173134 0.5883379469 0.106517113 0 -5.58124823 -3.07460528 -2.43201207 -5.53602634 2.02965494 1.89869417 0.98009513 4.79306881 0.08031579 5.40777003 -0.18457522 4.11617728 7.41951297 0.46212693 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 550-99-2 11957635 170464797 A Naphazoline hydrochloride Cl.c2cc(CC1=NCCN1)cc3ccccc23 Tox21_111255_1 -NCGC00254323-01 196699235 tox21-ror-cho-viability-p1 set1 4 0.6113056486 -5.8119557159 0 -5.8119557159 4.9549173134 0.3502230336 0.3361962899 1.89870714 0.20878428 0.46850797 -0.27213241 -0.21478344 0.48557738 -1.02750714 0.054225 -3.74822213 -17.34329643 -5.27726458 -0.85703957 -7.41660076 1.28207699 -0.13250729 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-49-2 8189 144210827 A Triethylene glycol dimethyl ether COCCOCCOCCOC Tox21_300509 -NCGC00254265-01 196698813 tox21-ror-cho-viability-p1 set1 -1.2 9.6885416101 -30.8942267744 -2 -32.8942267744 2.4063783767 0.8971343655 0.0003707476 -5.75528001 -4.55282593 -3.3200939 2.03556081 1.17266707 -9.76785703 -2.07084599 1.37898379 -1.59350301 -0.03904803 -7.5490608 -9.98588598 -31.59295468 -36.34815289 -27.06540841 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144210645 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_300327 -NCGC00254415-01 196699237 tox21-ror-cho-viability-p1 set1 4 -0.22348446 0.18969959 0.40573353 0.21239785 1.53377338 1.28453603 4.35612564 1.271788 -0.36842994 1.2847851 3.51392427 -0.46622525 2.80670382 -0.13670865 1.45288426 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-44-1 7934 144210885 A Bc 3-Methylaniline Cc1cc(N)ccc1 Tox21_300568 -NCGC00254215-01 196699240 tox21-ror-cho-viability-p1 set1 4 68.5896218971 16.495358996 -1.495358996 15 4.9549173134 0.7300370199 0.026367751 -1.29906168 1.88818038 -3.76134783 -0.09462295 -4.1303329 -4.57946583 -0.05556611 0.88823643 -3.27048048 -0.40430026 1.45316561 -0.73924459 -3.04963274 -0.24827891 11.75747891 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-76-7 7720 144210339 A Ac 2-Ethyl-1-hexanol CCC(CCCC)CO Tox21_300019 -NCGC00254272-01 196699646 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -15.669433716 -0.5 -16.169433716 2.9522712143 0.8033176026 0.0075987446 -2.62870454 1.1559001 0.28629603 0.18052653 -1.3717288 -1.52290158 1.04610996 -2.74463597 -1.96251776 0.83955054 1.84224515 -0.54346503 -2.27296359 -2.84326107 -11.80786143 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69-09-0 6240 144210835 A A Chlorpromazine hydrochloride Cl.CN(C)CCCN1c3ccccc3Sc2ccc(Cl)cc12 Tox21_300517 -NCGC00090698-04 196699647 tox21-ror-cho-viability-p1 set1 4 61.130564862 -13.618065684 0 -13.618065684 3.9899729863 0.8949130928 0.0004272676 -0.74730358 -0.74658814 -1.36670238 -0.56244786 1.22369204 -1.90817754 -1.00486607 1.28705222 -0.53757857 0.1316065 -0.07342693 1.48836425 -0.29217627 -2.34577132 -11.34838807 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 102-06-7 7594 144214002 A A 1,3-Diphenylguanidine N=C(Nc1ccccc1)Nc2ccccc2 Tox21_400041 -NCGC00254788-01 196700049 tox21-ror-cho-viability-p1 set1 4 -0.04316897 -3.27184469 0.30400702 -3.52748262 -0.92425205 0.4845765 -1.84293141 -1.55296788 -0.08133606 -3.56864936 -1.22442126 -1.3904858 -7.98113773 -1.44852089 -7.2136829 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1134-23-2 14337 144211201 A A Cycloate CCN(C(=O)SCC)C1CCCCC1 Tox21_300884 -NCGC00254808-01 196700051 tox21-ror-cho-viability-p1 set1 4 -0.48947412 -11.74543932 0.13609101 -3.36226706 -4.82497586 -5.58148792 1.76775491 -2.05557068 -1.7643234 0.94203249 -3.79979378 -3.79811333 -6.89543068 -9.52626545 1.58501862 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 74115-24-5 73670 144211221 A C Clofentezine Clc3ccccc3c1nnc(nn1)c2ccccc2Cl Tox21_300904 -NCGC00254932-01 196700059 tox21-ror-cho-viability-p1 set1 4 2.74854498 6.3795382 0.26511441 1.38659588 2.18942549 -0.52080111 -1.19171272 3.30104203 -0.97098086 1.65405112 5.44107606 4.91338241 0.20560097 -0.26668864 4.17000787 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 717-74-8 12860 144211347 A Ac 1,3,5-Triisopropylbenzene CC(C)c1cc(cc(c1)C(C)C)C(C)C Tox21_301030 -NCGC00357002-01 196723735 tox21-ror-cho-viability-p1 set3 4 0.7695882154 -3.5512820639 3 -0.5512820639 4.9549173134 0.4220206686 0.2554748224 -1.15645122 2.88492937 3.52247702 2.95519338 0.44038294 3.70403749 7.33073864 4.50914829 1.0884056 -0.56603229 1.35929231 -2.95940172 -0.14399865 -1.14132233 0.77983242 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 163515-14-8 13633097 251919720 A Dimethenamid-P Cc1csc(C)c1N([C@@H](C)COC)C(=O)CCl Tox21_303923 -NCGC00274076-01 196723324 tox21-ror-cho-viability-p1 set3 4 14.9600854925 -8.06165322 1.5 -6.56165322 3.1319983358 0.3772826352 0.3138923245 -0.98424107 1.85302626 0.15829688 3.20288983 -0.98485175 3.11508021 1.92649424 -0.76577767 0.6215991 5.85201385 6.28066018 -0.56175372 1.37050383 -5.46804435 11.16067006 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122-40-7 31209 170466842 F Pentylcinnamaldehyde O=CC(CCCCC)=Cc1ccccc1 Tox21_112352_1 -NCGC00161399-03 196723325 tox21-ror-cho-viability-p1 set3 -2.4 2.9849294812 -22.420443476 -1 -23.420443476 0.9999999999 0.9256745194 0.0001453236 -2.54190809 -0.73326156 -0.15975509 -0.21385214 0.20555496 -4.3228793 -1.62568427 -1.3552345 -0.94111703 -9.94147437 -6.73018676 -15.05317196 -17.10924445 -20.76703623 -7.4051786 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 143482-60-4 56846451 170466338 D Pinokalant hydrochloride Cl.COc5ccc(CCN(CCc1ccc(OC)c(OC)c1OC)C(=O)C(C2=NCCc3cc(OC)c(OC)cc23)c4ccccc4)c(OC)c5OC Tox21_111993_1 -NCGC00091261-03 196706566 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -22.270090076 1.5 -20.770090076 4.9549173134 0.4004278215 0.2713584155 -0.29671281 -6.62669671 -0.78123931 -0.71082606 2.00853284 0.71385404 3.21814049 4.62491043 1.11500379 18.37971177 -0.64052005 -1.31046472 -1.03410793 3.28405507 -15.64174173 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00259133-01 196706154 tox21-ror-cho-viability-p1 set1 4 -12.41173018 -6.77861104 -10.60246298 -8.588437 -3.59102654 -2.60508929 0.6378567 -2.96710709 -1.09674846 -6.38811431 -10.67541407 -2.19405439 -6.69471551 -4.70207068 -4.66105943 1.19E-9 2.6619999999E-9 5.951E-9 1.331E-8 2.976E-8 6.654E-8 1.4879999999E-7 3.3269999999E-7 7.439E-7 0.000001663 0.00000372 0.000008317 0.0000186 0.00004159 0.000092989999999 4130-42-1 20087 144208782 AC A 2,6-Di-tert-butyl-4-ethylphenol CC(C)(C)c1cc(cc(c1O)C(C)(C)C)CC Tox21_201584 -NCGC00259878-01 196706557 tox21-ror-cho-viability-p1 set1 4 0.67078395 8.07453939 -4.86650261 1.14512291 2.32933126 -0.02251389 -0.27302413 0.50246443 -13.86590437 6.35437982 0.86753561 -0.80521377 0.76189363 1.59413956 5.40151456 1.1859999999E-9 2.651E-9 5.929E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008286 0.00001853 0.000041429999999 0.00009264 98-51-1 7390 144209527 AC Ac 4-tert-Butyltoluene Cc1ccc(cc1)C(C)(C)C Tox21_202329 -NCGC00259711-01 196706558 tox21-ror-cho-viability-p1 set1 4 -1.20374041 0.37134454 -8.23151245 -10.04270711 -5.00630005 -1.59536441 -3.49831776 -2.85410257 -4.73843034 -10.24486159 -9.39656685 -11.8251823 -5.9729864 0.07600541 -4.94581107 1.156E-9 2.585E-9 5.779E-9 1.292E-8 2.8899999999E-8 6.4619999999E-8 1.4449999999E-7 3.231E-7 7.224E-7 0.000001615 0.000003612 0.0000080769999999 0.000018059999999 0.00004039 0.0000903 59756-60-4 43079 144209360 A A Fluridone CN1C=C(C(=O)C(=C1)c2cc(ccc2)C(F)(F)F)c3ccccc3 Tox21_202162 -NCGC00259574-01 196706568 tox21-ror-cho-viability-p1 set1 4 1.97951745 11.5605439 1.72132567 12.9758394 6.18341624 1.11741691 -0.74460432 2.47127256 4.22312712 10.43639752 -8.93978669 2.42141273 -0.04048924 -0.02102192 -0.03168303 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041219999999 0.00009218 536-60-7 325 144209223 A A 4-Isopropylbenzyl alcohol OCc1ccc(cc1)C(C)C Tox21_202025 -NCGC00015675-08 196706569 tox21-ror-cho-viability-p1 set1 4 6.26402242 6.62525923 -34.1538411 0.60368907 1.45043012 2.709114 -0.84638536 0.88774549 2.60197547 8.26508588 1.11252169 3.28357747 0.9809595 -0.98103679 1.34986207 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78415-72-2 4197 144214030 A A Milrinone N#CC1=CC(=C(C)NC1=O)c2ccncc2 Tox21_400069 -NCGC00259191-01 196706573 tox21-ror-cho-viability-p1 set1 4 0.0109149573 25.503151944 -21.003151944 4.5 0.2 0.4071314487 0.2651758996 -15.20271455 0.94313966 -17.50262662 -11.1043233 -1.42809891 -5.42541836 -7.72643714 -1.61138627 -4.12807602 -1.1652284 0.61633426 -0.86949245 -6.25068388 1.00299383 2.99122878 1.1839999999E-9 2.648E-9 5.921E-9 1.324E-8 2.96E-8 6.62E-8 1.4799999999E-7 3.31E-7 7.4009999999E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.00009251 3337-71-1 18752 144208840 D Asulam Nc1ccc(cc1)S(=O)(=O)NC(=O)OC Tox21_201642 -NCGC00257262-01 196706987 tox21-ror-cho-viability-p1 set1 4 -0.09176112 -8.57430367 -6.21554627 1.60833275 0.49822374 -0.2678176 1.82380868 2.13039772 1.10699833 0.15592393 -7.93636073 -0.4745861 0.14491231 -1.203727 3.23627892 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4433-79-8 78170 144213794 A C N-(4-Chloro-2,5-dimethoxyphenyl)-3-oxobutanamide COc1cc(NC(=O)CC(C)=O)c(cc1Cl)OC Tox21_303485 -NCGC00260073-01 196703268 tox21-ror-cho-viability-p1 set1 -1.1 4.3145127378 -93.2812429806 -0.702044936 -93.9832879166 4.9549173134 0.994468344 0 0.24383747 -7.25595226 2.65971852 -1.15522226 0.03710414 0.18862205 1.51417078 1.83171494 0.91712708 -7.5184383 -25.72376356 -93.31382386 -93.86570936 -92.2765673 -94.36073084 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.0000016459999999 0.00000368 0.000008228 0.000018399999999 0.000041139999999 0.000091989999999 115-09-3 409301 144209722 Methylmercuric(II) chloride C[Hg]Cl Tox21_202524 -NCGC00258742-01 196702854 tox21-ror-cho-viability-p1 set1 4 68.3804186691 13.9855725121 0.5144274879 14.5 3.9294729863 0.6329017067 0.0756864131 -2.31522332 2.28340355 2.32931151 1.12125068 -1.10931425 1.03809227 1.96475312 3.52026633 -2.47150055 -4.15464376 1.23651281 0.21816889 1.73610618 1.79211856 11.05094756 1.177E-9 2.6319999999E-9 5.8849999999E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.0000036779999999 0.000008225 0.00001839 0.00004113 0.00009196 75-69-4 6389 144208388 Trichlorofluoromethane ClC(Cl)(Cl)F Tox21_201190 -NCGC00260532-01 196703248 tox21-ror-cho-viability-p1 set1 4 0.76798115 -6.95075757 -9.25199094 4.19799766 -7.96714213 -7.75070919 -5.89942951 -2.99428171 -4.14304868 1.61974766 -11.83487558 -2.26069069 -5.264457 -13.16775923 -20.63770721 1.18E-9 2.6389999999E-9 5.9009999999E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.299E-7 7.376E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.0000922 525-82-6 10680 144210185 A A Flavone O=C2C=C(Oc1ccccc12)c3ccccc3 Tox21_202987 -NCGC00091146-04 196703265 tox21-ror-cho-viability-p1 set1 -2.4 15.3553036427 -19.568662528 -0.5 -20.068662528 3.0654483358 0.8162444786 0.0055582104 -0.44975707 -0.44113484 -0.65719207 1.24916315 0.87169717 -11.44821608 2.40177851 -0.19347189 3.77913764 -1.91631871 0.38374463 -0.65647947 -13.59276384 -18.81443996 -20.47388544 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00260249-01 196703670 tox21-ror-cho-viability-p1 set1 4 2.76716313 0.86103603 -1.11647116 2.42496329 2.61673371 -0.06904087 -1.65022384 0.54306292 4.6125433 -0.41469655 -1.29583202 4.13871639 4.01030835 0.24012132 -0.60819945 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.00000369 0.000008252 0.000018449999999 0.000041259999999 0.00009226 623167-81-7 2734249 144209899 A A 1-Hexylpyridinium trifluoromethanesulfonate FC(F)(F)S([O-])(=O)=O.CCCCCC[n+]1ccccc1 Tox21_202701 -NCGC00257779-01 196716038 tox21-ror-cho-viability-p1 set2 4 2.03032607 -0.38305406 -0.02718752 1.15306764 2.07878451 2.66291414 0.09868175 4.31278441 1.13527522 1.56901111 -0.01265963 0.03966833 0.61820426 0.06731274 1.05888075 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.476E-7 3.3009999999E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008253 0.00001846 0.00004127 0.000092279999999 112-62-9 5364509 144207423 A Fns Methyl (9Z)-octadec-9-enoate O=C(CCCCCCC/C=C\CCCCCCCC)OC Tox21_200225 -NCGC00258620-01 196715613 tox21-ror-cho-viability-p1 set2 4 -1.91458925 2.13606586 -0.16178714 -2.26901897 0.28942597 2.39304009 1.09014059 -1.26879792 4.70911833 -2.73264075 2.71540764 3.64870483 0.8101229 -2.76365808 1.72766306 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9569999999E-8 6.613E-8 1.479E-7 3.306E-7 7.394E-7 0.0000016529999999 0.000003697 0.000008266 0.00001848 0.00004133 0.00009242 5324-84-5 23669624 144208265 A A Sodium 1-octanesulfonate [Na+].O=S(=O)([O-])CCCCCCCC Tox21_201067 -NCGC00164449-04 196716015 tox21-ror-cho-viability-p1 set2 4 3.0808375 1.40421927 -0.94640921 2.39310641 2.17113008 2.15331358 0.52656802 1.09751476 -0.08826381 0.50617719 2.62732975 -0.89258887 2.36723518 1.43532556 0.82462183 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00090776-02 196716025 tox21-ror-cho-viability-p1 set2 4 0.83352297 -2.41203321 -3.3297938 -1.4317456 0.93805861 -2.19682026 0.48632039 -3.01056885 -0.9740173 -2.13598454 -4.12980776 -0.76472656 -3.23519263 0 1.20582216 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00257780-01 196716449 tox21-ror-cho-viability-p1 set2 4 0.78734165 2.53463125 3.69058552 -0.20998383 2.01204812 3.33859097 1.31654505 1.08468346 3.90486753 2.15933407 4.89764906 1.91708364 0.31125548 0.85354909 4.07891162 1.181E-9 2.64E-9 5.904E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3E-7 7.38E-7 0.0000016499999999 0.00000369 0.000008251 0.000018449999999 0.00004125 0.000092249999999 111-97-7 8151 144207424 A A 3,3'-Thiodipropionitrile N#CCCSCCC#N Tox21_200226 -NCGC00258169-01 196716453 tox21-ror-cho-viability-p1 set2 4 -0.97360822 -1.78327254 0.57287602 -1.26137404 -3.90404546 -0.34145945 -2.0871949 -0.0227794 0.47843967 -1.35390666 -2.65504727 -0.24825934 -2.07545333 -0.26159219 -2.50570536 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.6299999999E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008287 0.00001853 0.000041439999999 0.00009265 56511-17-2 11076461 144207813 A A 1-Butyl-1-methylpyrrolidinium iodide [I-].CCCC[N+]1(C)CCCC1 Tox21_200615 -NCGC00166219-02 196716853 tox21-ror-cho-viability-p1 set2 4 0.36742861 -0.62285823 1.96972353 5.01979588 6.1150854 4.87419685 4.83633985 4.78003076 3.20433327 1.05015502 3.68394274 0.55724668 0.65461939 1.63055925 0.628318 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79467-22-4 43961 170466781 A Bipenamol NCc2ccccc2Sc1ccccc1CO Tox21_112355_1 -NCGC00164535-02 196716854 tox21-ror-cho-viability-p1 set2 4 -4.18298898 1.68609932 0.65061088 0.47667413 1.28440216 0.15551694 -3.43098791 -0.86365482 1.49645374 -0.99267877 1.7055139 0.20420006 -2.6568195 -0.69845619 1.10393355 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1707-14-8 92159 170465166 Z Phenmetrazine hydrochloride Cl.CC2NCCOC2c1ccccc1 Tox21_112166_1 -NCGC00024027-09 196716858 tox21-ror-cho-viability-p1 set2 4 -0.23416671 2.08737888 -8.15409368 0.5824587 -0.19807433 -3.0437618 -4.56088219 -0.2073212 -2.59482883 -6.31984562 -5.23542052 -2.6061553 -1.82780701 -1.32917694 -4.55669943 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 361-37-5 9681 170464684 A Methysergide CC[C@@H](CO)NC(=O)[C@@H]3C=C2c4cccc1c4c(cn1C)C[C@H]2N(C)C3 Tox21_110895_1 -NCGC00166146-02 196716859 tox21-ror-cho-viability-p1 set2 -3 29.8492948118 -84.5986301679 2.9745675679 -81.6240626 4.9549173134 0.9886355085 1.8E-9 1.96189805 2.40369483 2.27257494 4.25692408 4.30154613 6.55067595 3.91366063 7.90526314 2.00367505 2.41118079 1.74377352 1.99133079 -1.09916017 -8.50248866 -72.6033855 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 152-43-2 9046 170465054 A Quinestrol C#C[C@]5(O)CC[C@@H]2[C@]5(C)CC[C@@H]3c4ccc(OC1CCCC1)cc4CC[C@@H]23 Tox21_112340_1 -NCGC00017325-06 196717262 tox21-ror-cho-viability-p1 set2 4 3.36466301 2.79916215 2.25027123 0.44505398 4.31207121 1.71516401 5.91694772 4.20636861 -0.44726428 2.37767435 2.7352122 1.69417872 -0.28797937 0.20585817 1.29369039 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 501-30-4 3840 170466814 F Kojic acid O=C1C=C(CO)OC=C1O Tox21_110814_1 -NCGC00091071-08 196716886 tox21-ror-cho-viability-p1 set2 4 18.8336317891 -11.5874021279 0.5 -11.0874021279 0.7 0.5889957568 0.1067135795 -0.28180587 -0.23529607 0.00174877 0.23734437 0.50235645 0.84449242 0.35786859 6.03413966 -2.36056454 -3.04364317 -3.49735583 -1.93050342 -2.48308621 -4.06074285 -8.40616844 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-29-3 3036 170465529 F p,p'-DDT Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl Tox21_111076_1 -NCGC00253645-01 196716876 tox21-ror-cho-viability-p1 set2 4 4.50651857 -0.41153787 0.67687813 0.54336699 5.24248521 3.80236782 3.85259587 4.50046234 -1.32279106 -3.53031177 -0.34909181 -1.98922808 -1.39013682 -1.94353211 -2.25859921 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3453-33-6 76991 170466750 Ac A 6-Methoxy-2-naphthalaldehyde O=Cc1ccc2cc(ccc2c1)OC Tox21_113771 -NCGC00095748-04 196716881 tox21-ror-cho-viability-p1 set2 4 1.40921628 -2.24977133 -2.17996476 1.70501637 -2.13086854 -0.95672423 -1.27371111 -2.16557422 -1.81738742 -3.01250222 -2.30643982 -3.50338004 1.17552546 -1.29587749 -1.04211626 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 544-62-7 3681 170465730 F 3-(Octadecyloxy)-1,2-propanediol OC(CO)COCCCCCCCCCCCCCCCCCC Tox21_111515_1 -NCGC00256162-01 196729094 tox21-ror-cho-viability-p1 set3 4 4.73715797 5.1416048 -0.37781434 3.87969813 2.86382839 1.10007932 2.76739474 1.18922628 2.51855556 1.50601377 4.49131761 0.90875875 0.31227433 5.80176088 -2.16524545 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5877-42-9 93012 144211785 A A 4-Ethyloct-1-yn-3-ol C#CC(O)C(CCCC)CC Tox21_301468 -NCGC00256281-01 196729083 tox21-ror-cho-viability-p1 set3 4 0.03982078 -7.5201843 -5.35244223 9.18173161 -10.85933482 -5.9923906 -4.554079 6.33226495 1.50628359 -5.98590666 5.73817225 4.64228422 -7.11338342 -0.6885135 6.11609475 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 116912-64-2 90258 144212126 F Fns 2-Silylpropyl-urea, Si-(ethoxy and methoxy) derivs CCO[Si](OCC)(OCC)CCCNC(N)=O Tox21_301809 -NCGC00255864-01 196729085 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -129.2820662167 4.8692281702 -124.4128380465 4.9549173134 0.9879082297 2.5E-9 3.32546709 1.16075073 6.83279664 0.68761136 7.54743449 7.2436144 -0.77720344 5.85125771 1.76269445 6.72792309 6.5990716 3.87892112 5.71036269 0.12423806 -100.65763596 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1155-74-4 62379 144211556 A A Tetradecylpyridinium bromide [Br-].CCCCCCCCCCCCCC[n+]1ccccc1 Tox21_301239 -NCGC00090750-04 196729494 tox21-ror-cho-viability-p1 set3 4 1.08710029 1.87735083 -0.87196639 1.02965296 1.13553135 -0.48500468 -1.11178565 0.6931311 3.2213615 3.41446175 -0.05292308 0.68869486 1.38620784 1.03154269 1.27795231 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00258547-01 196729496 tox21-ror-cho-viability-p1 set3 -2.4 3.8570778872 -31.187308228 2.5 -28.687308228 0.9999999999 0.9463573608 0.0000123539 0.43178083 4.35839519 0.49289097 7.06137851 -1.56316909 -0.48854343 0.66206985 4.3702204 -0.27379278 -9.17963453 -14.005221 -20.88719374 -20.26443911 -24.26770909 -28.90609019 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.0000036889999999 0.000008248 0.00001844 0.00004124 0.00009222 6112-76-1 6537489 144208192 A A 6-Mercaptopurine monohydrate O.S=C1NC=NC2N=CNC12 Tox21_200994 -NCGC00257944-01 196729901 tox21-ror-cho-viability-p1 set3 4 -0.9610695 2.98069376 0.27163731 0.73578008 0.02384934 3.19419692 0.00230882 3.22437641 4.92887069 8.7417741 3.5917681 3.20813825 1.86005487 2.60541615 5.934997 1.187E-9 2.654E-9 5.9339999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.4829999999E-7 3.317E-7 7.417E-7 0.000001659 0.000003709 0.0000082929999999 0.00001854 0.00004146 0.000092709999999 82586-55-8 54891 144207588 B D Quinapril hydrochloride Cl.O=C(OCC)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2Cc3ccccc3C[C@H]2C(=O)O Tox21_200390 -NCGC00258532-01 196729902 tox21-ror-cho-viability-p1 set3 4 0.8714013443 -4.4108076719 0 -4.4108076719 4.4494702849 0.3637186159 0.3084644182 1.92672224 -0.03370055 0.28369928 0.91471386 -1.51200732 -0.12222986 -0.02205181 -0.05253812 -0.18433128 -11.17567306 0 0 -8.65264677 -0.61791897 -8.03528246 1.189E-9 2.6589999999E-9 5.9469999999E-9 1.3299999999E-8 2.973E-8 6.649E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.0000037169999999 0.0000083109999999 0.000018579999999 0.000041549999999 0.00009292 36362-97-7 11288 144208177 A A 1,2,3-Benzenetricarboxylic acid OC(=O)c1c(cccc1C(=O)O)C(=O)O Tox21_200979 -NCGC00258126-01 196729912 tox21-ror-cho-viability-p1 set3 -2.2 30.1400227924 -45.259071288 12.5 -32.759071288 0.3 0.7225937055 0.0287307517 12.20046234 10.6484197 15.79171633 12.72182799 0.41343394 2.26858149 -1.83380416 -0.21043596 1.95920614 0.23673893 -1.63316269 -1.82853072 -0.57982799 -9.72448989 -23.96589274 1.164E-9 2.602E-9 5.818E-9 1.301E-8 2.909E-8 6.5039999999E-8 1.454E-7 3.252E-7 7.2719999999E-7 0.0000016259999999 0.000003636 0.00000813 0.00001818 0.00004065 0.0000909 100-14-1 7482 144207770 D 4-Nitrobenzyl chloride O=[N+]([O-])c1ccc(CCl)cc1 Tox21_200572 -NCGC00257158-01 196727080 tox21-ror-cho-viability-p1 set3 4 12.1971512362 -5.84071158 0.5 -5.34071158 2.4063783767 0.5585403129 0.1311093791 0.5388435 0.85713424 0.25091548 0.62807512 -0.52909905 -0.04246713 -3.15479478 -0.47735257 0.49107367 5.72056694 1.31710188 -2.88914864 -2.34693623 -6.11725965 -4.97610718 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 326-61-4 9473 144213403 A A Piperonyl acetate CC(=O)OCc1ccc2OCOc2c1 Tox21_303086 -NCGC00091602-02 196727063 tox21-ror-cho-viability-p1 set3 4 -0.08522202 0.37223288 -0.32131688 0.1387579 4.46671236 -1.47020738 -1.05078585 -16.80607429 -18.04251727 -6.37128944 -2.5330786 0.89587535 -2.61399107 0.88699217 -5.98219601 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00257298-01 196727064 tox21-ror-cho-viability-p1 set3 1.2 17.7166626305 57.2047279149 -5.2655860899 51.939141825 4.9549173134 0.9424215388 0.0000180947 -2.31122319 -10.42613839 -15.50198095 -3.02753078 -5.03192992 -15.2537366 -1.6566259 -4.54951922 0 -0.9057873 0 -2.81714357 12.66405092 50.04726857 52.86592955 9.969E-10 2.229E-9 4.9839999999E-9 1.1149999999E-8 2.492E-8 5.573E-8 1.246E-7 2.786E-7 6.23E-7 0.000001393 0.000003115 0.000006966 0.00001558 0.00003483 0.000077879999999 NOCAS_48172 60196440 144213807 A A PharmaGSID_48172 O=C(O)/C=C/C(=O)O.O=C5c1ccccc1C(=O)N5CCc2nc(on2)c4ccc(CN3CCCCCC3)s4 Tox21_303499 -NCGC00256403-01 196727066 tox21-ror-cho-viability-p1 set3 4 -1.29747749 -0.95836186 1.28766191 -1.3615441 0.37520918 -1.52413397 0.41243404 -1.94578592 -0.7207936 -2.22615364 0 0.43769929 0.53628666 7.65586226 0.31643417 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 97-59-6 204 144213229 Ac A Allantoin O=C1NC(=O)NC1NC(=O)N Tox21_302912 -NCGC00255961-01 196700884 tox21-ror-cho-viability-p1 set1 -2.2 17.2289340586 -42.2084275508 0.0755749749 -42.1328525759 3.5117481694 0.9677823224 0.0046126241 0.72212886 -0.40448048 1.9962936 0.8632722 0.50752064 2.88353977 0.89659038 -0.45665823 0.04040685 -6.63720253 1.0022984 -0.8412382 -25.19991441 -72.90671731 -41.36071048 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1729-67-5 95428 144212294 F Fns Methyl 2,3-dibromopropionate BrC(CBr)C(=O)OC Tox21_301977 -NCGC00255351-01 196700889 tox21-ror-cho-viability-p1 set1 -1.1 13.6854287769 -70.5170520193 2.0275594189 -68.4894926004 1.0999999999 0.9942368282 0 2.11189454 1.83221882 1.78297668 0.72943752 2.61115384 0.16519989 0.94914045 1.68856322 -1.15592169 -0.60755614 -12.34517191 -26.34587075 -36.12873661 -51.4824209 -62.11325197 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 61-73-4 6099 144212404 A A Methylene blue [Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C Tox21_302087 -NCGC00256096-01 196700896 tox21-ror-cho-viability-p1 set1 4 76.9588215421 -25.3104207439 -3.5 -28.8104207439 0.7999999999 0.5091617163 0.1704622027 -1.82440079 0.72699013 -3.5504655 -5.08457222 0.54330338 -2.36160484 -3.64517256 -10.29241416 -6.84893809 -4.16567581 -10.47235315 -4.90957124 -1.14635247 -20.67535062 -15.87809548 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4724-48-5 78452 144212559 A A Octylphosphonic acid O=P(O)(O)CCCCCCCC Tox21_302242 -NCGC00255884-01 196701301 tox21-ror-cho-viability-p1 set1 4 5.89267769 2.98503423 2.66819085 2.77500818 0.31955859 3.11131659 0.61537352 3.18760362 5.24452352 3.79340126 3.07038447 0.99807801 2.72219841 3.96150972 -1.24488018 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2905-67-1 76192 144212552 A Ac Methyl 3,5-dichlorobenzoate Clc1cc(cc(Cl)c1)C(=O)OC Tox21_302235 -NCGC00255151-01 196701309 tox21-ror-cho-viability-p1 set1 4 -4.2285582 -0.61676356 1.53059278 -0.71630497 -0.39715115 -10.00608882 -1.3708288 1.12335798 -0.19735921 -4.72240014 0.3267861 -4.85192407 -1.29963573 -0.04736597 3.26833876 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2499-95-8 17259 144212037 F Fns Hexyl acrylate O=C(C=C)OCCCCCC Tox21_301720 -NCGC00091278-03 196701724 tox21-ror-cho-viability-p1 set1 4 5.89334989 0.60720078 -3.72341952 7.53975571 0.55287414 7.10894567 6.81276747 6.12589017 5.78898172 0.20834711 6.17567048 5.2932339 2.4641407 -0.37037139 0.14273027 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5307-14-2 4338370 144213987 A B 2-Nitro-1,4-phenylenediamine O=[N+]([O-])c1cc(N)ccc1N Tox21_400026 -NCGC00091483-03 196701725 tox21-ror-cho-viability-p1 set1 4 61.130564862 -14.4781224719 -1 -15.4781224719 2.7867712143 0.5024543653 0.1774632082 3.65486197 -0.03706971 -4.17936249 -1.22509334 -1.71102487 -1.43867908 2.11227502 -0.44929979 -1.66297624 -6.89601803 1.92536055 -6.06141757 0.11841316 -4.79837084 -12.06510206 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00015054-12 196698413 tox21-ror-cho-viability-p1 set1 4 0.97366308 2.37583894 1.57860901 1.01329207 1.02385113 -0.35288494 0.97274375 -4.37988539 -2.61221743 0.68914688 -5.7385159 -6.27115871 -2.36018144 -0.36175874 -0.49821705 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 321-64-2 1935 170465420 C Tacrine hydrochloride Nc1c3ccccc3nc2CCCCc12 Tox21_110073_1 -NCGC00182999-01 196697995 tox21-ror-cho-viability-p1 set1 4 -2.51470773 -0.16293032 -3.57729788 -1.28754786 -6.6190689 1.95902167 -4.56875928 -1.535361 -0.89891309 -4.98326904 -0.76549808 -1.13624032 -2.91665957 -2.39941593 0.36669901 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 99665-00-6 20056549 144206879 A B Flomoxef O=C2N1C(=C(CO[C@H]1[C@@]2(OC)NC(=O)CSC(F)F)CSc3nnnn3CCO)C(=O)O Tox21_113328 -NCGC00015955-16 196698018 tox21-ror-cho-viability-p1 set1 4 2.87803659 -4.35695547 -5.0728899 -0.19306306 4.31761566 0.44995956 -3.3940049 -4.06270107 3.12358311 -2.13219413 -4.14691801 0.32339241 -0.10883026 3.21279022 5.32713458 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 18559-94-9 2083 170465034 I Salbutamol sulfate OCc1cc(ccc1O)C(O)CNC(C)(C)C Tox21_110266_1 -NCGC00256893-01 196707815 tox21-ror-cho-viability-p1 set1 4 0.0611305649 5.368478488 -1.368478488 4 4.9549173134 0.3438491305 0.3272514553 -0.38239735 -4.89039874 0.54477457 2.3729483 -4.11434423 2.35334832 2.44890832 10.91131532 0.58198939 0.58373011 0.90043524 9.63529462 1.60771925 2.59703512 5.76845706 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 543-49-7 10976 144212834 A 2-Heptanol CC(O)CCCCC Tox21_302517 -NCGC00257204-01 196707817 tox21-ror-cho-viability-p1 set1 4 61.130564862 -14.119007448 1 -13.119007448 2.2481167061 0.6809035666 0.0479577713 -2.41809006 -0.84554454 0.76106671 1.48568205 -0.11607195 0.17270618 4.31498244 3.99980461 2.17076881 -0.50323076 2.75525904 3.30558299 -1.43790686 -2.92445638 -9.26583954 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1724-39-6 15595 144213513 A A Cyclododecanol OC1CCCCCCCCCCC1 Tox21_303196 -NCGC00256976-01 196707818 tox21-ror-cho-viability-p1 set1 4 -5.81549398 -4.60926996 -9.9498288 -10.79320098 -4.48986298 -15.97494653 -15.51308251 -12.75875384 -0.49318099 -13.89788025 -13.5149267 -6.95847623 -6.16777059 -15.96366292 -5.2262496 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 137-32-6 8723 144213517 Ac 2-Methyl-1-butanol CC(CC)CO Tox21_303200 -NCGC00256960-01 196708213 tox21-ror-cho-viability-p1 set1 4 1.83111247 -1.20981771 -1.25378289 -7.07955106 -8.239071 1.66971743 -7.52155207 5.64927397 -0.49663068 2.38308138 -0.57141518 0.77939842 -0.6741034 0.36729089 5.58193673 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-11-7 7636 144213544 A Ac 2-Ethylhexyl acrylate O=C(C=C)OCC(CCCC)CC Tox21_303227 -NCGC00256536-01 196708214 tox21-ror-cho-viability-p1 set1 4 1.36410026 4.52796101 1.59596783 -1.50361321 5.08121869 1.89886213 4.08087666 2.57121445 1.84010081 4.88049362 0.8313069 8.06686754 0.90393923 -0.57975373 7.86084603 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5949999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 57-06-7 5971 144213207 Fns Allyl isothiocyanate C=CC\N=C=S Tox21_302890 -NCGC00257234-01 196708218 tox21-ror-cho-viability-p1 set1 4 -4.48186255 -0.99497205 -1.07119051 -7.42218859 -0.62312779 0.39759683 0.38455863 -3.24171817 -2.84519357 0.12677592 -1.32364736 0.67770234 0.42375939 -1.35527697 -3.2545127 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-17-5 8462 144213656 A Ac 1-Chloro-2-nitro-4-(trifluoromethyl)benzene O=[N+]([O-])c1cc(ccc1Cl)C(F)(F)F Tox21_303339 -NCGC00257188-01 196708220 tox21-ror-cho-viability-p1 set1 4 -0.21579541 -0.03202436 0.9326618 0.918018 1.70650547 -0.45141214 4.21940744 1.28527358 4.72138085 -7.09170974 0.74405992 -0.16813622 1.25814038 0.50557196 7.41123044 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-02-6 4445035 144213568 Ac Sodium phenolate [Na+].[O-]c1ccccc1 Tox21_303251 -NCGC00259871-01 196705750 tox21-ror-cho-viability-p1 set1 4 2.84587939 6.15334662 -11.50182948 -1.47647782 -1.03335857 -2.13868623 1.06606425 -0.1382102 -20.08852921 -0.14413218 1.81356052 0.97324531 6.36678999 5.60292479 0.15878111 1.2009999999E-9 2.6849999999E-9 6.0039999999E-9 1.3429999999E-8 3.002E-8 6.7129999999E-8 1.501E-7 3.356E-7 7.505E-7 0.0000016779999999 0.0000037519999999 0.000008391 0.00001876 0.00004195 0.00009381 993-16-8 101940 144209520 A Trichloromethylstannane C[Sn](Cl)(Cl)Cl Tox21_202322 -NCGC00090874-04 196705329 tox21-ror-cho-viability-p1 set1 4 -2.86563057 -7.52491077 -6.82276933 -2.97448533 -0.11908161 -3.28551102 -5.89569848 -0.82228857 0.29535895 -10.1391818 -6.49293545 -5.76387659 -0.44300493 -4.6282393 -4.47519446 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00095116-05 196705347 tox21-ror-cho-viability-p1 set1 4 0.16785492 9.4553170439 -3.9553170439 5.5 2.2526478767 0.4931072998 0.1846930385 -2.7478039 -0.74330142 -6.31400036 -0.93292354 -0.6020718 -6.9876712 -12.87943087 7.89193245 0.16316872 1.3253676 8.67010945 8.07934894 6.30217669 0.21471934 7.87071335 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1665-48-1 15459 170465241 A Metaxalone Cc1cc(cc(C)c1)OCC2CNC(=O)O2 Tox21_111428_1 -NCGC00253708-01 196705348 tox21-ror-cho-viability-p1 set1 4 29.8492948118 8.0727146679 -1.5727146679 6.5 4.9549173134 0.3736818954 0.3005629868 -0.33069505 -9.64392889 -1.07688978 -0.29483988 -0.18958844 -2.37910697 -0.87303723 -1.2226055 -3.73682019 0.71896939 -1.80880178 0.50569708 -1.59311246 -0.44188242 5.6533794 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56326-98-8 91805 170466751 F A 1-(4-Fluorophenyl)-4-oxocyclohexanecarbonitrile Fc1ccc(cc1)C2(CCC(=O)CC2)C#N Tox21_113828 -NCGC00259926-01 196706160 tox21-ror-cho-viability-p1 set1 4 0.0061628235 -5.693878956 5 -0.693878956 1.4780888099 0.3615228699 0.328443676 4.23884246 4.65938935 1.25854367 1.98778329 -0.46312055 -2.91528554 0.65238746 0.43790207 4.01358313 0 -2.54830033 0.11550056 -7.24489913 0.1338291 4.50369068 1.188E-9 2.656E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.639E-8 1.4849999999E-7 3.32E-7 7.423E-7 0.0000016599999999 0.000003712 0.000008299 0.00001856 0.0000415 0.00009279 121-66-4 8486 144209575 A A 2-Amino-5-nitrothiazole [O-][N+](=O)c1cnc(N)s1 Tox21_202377 -NCGC00259155-01 196706165 tox21-ror-cho-viability-p1 set1 4 -9.54643207 -2.8868787 -12.54413417 -8.07187578 4.04365354 -11.84193051 -4.19661065 -1.46945758 -1.15459153 -9.50755077 -10.94988297 -1.24840232 0.91946342 1.07910076 -5.06817081 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003667 0.000008201 0.00001834 0.000041 0.00009169 100-97-0 4101 144208804 B A Methenamine C1N3CN2CN(CN1C2)C3 Tox21_201606 -NCGC00259229-01 196706583 tox21-ror-cho-viability-p1 set1 4 2.87835287 4.1705798 2.47375237 1.31903776 1.81045568 1.36182789 -1.93538192 0.08633345 5.40006886 2.00971304 -1.49617426 5.31272252 2.99038732 2.6433475 2.38127456 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 142-09-6 8872 144208878 A Fc Hexyl methacrylate O=C(OCCCCCC)C(=C)C Tox21_201680 -NCGC00257483-01 196718110 tox21-ror-cho-viability-p1 set2 4 -1.34165292 -2.48902729 1.37289415 -0.08370664 0.62541692 -1.30910125 1.15779064 -2.01451798 0.42218346 1.3263966 -1.11118199 -1.30389565 -2.0933194 -1.2824927 -2.34308598 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6728-26-3 5281168 144213702 F (2E)-2-Hexenal CCC\C=C\C=O Tox21_303390 -NCGC00091586-02 196717688 tox21-ror-cho-viability-p1 set2 4 72.8297298982 -11.000664776 0.5 -10.500664776 4.9549173134 0.7036647788 0.0378650441 1.8556261 0.41868516 1.08449224 -0.61626318 1.19274601 -1.54585292 -1.79771563 -0.3792628 2.32455572 0.33445669 0.71279985 3.13616163 -0.22439882 0.67954694 -7.50055398 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00016504-09 196717691 tox21-ror-cho-viability-p1 set2 4 2.6603212004 14.9089079119 -6.9089079119 8 0.4 0.7257257066 0.0278649255 -1.55027565 -7.61944793 -9.50742326 -7.8773481 -3.76705557 -6.69455578 -2.41114335 -2.18147252 0.35008771 -0.47750749 -1.26709465 -0.17366188 -0.18199364 4.99490857 5.42690998 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 548-73-2 3168 170464722 A Droperidol Fc1ccc(cc1)C(=O)CCCN2CC=C(CC2)N3c4ccccc4NC3=O Tox21_110461_1 -NCGC00091650-03 196717696 tox21-ror-cho-viability-p1 set2 -2.4 54.4826732819 -30.434903928 -2 -32.434903928 1.9673362061 0.8681762349 0.0012412592 -1.41277676 -2.67890519 -1.86281825 -9.64868334 -2.12744173 -2.76254515 -1.9371172 1.03649184 -1.43175313 -1.11121272 0.9430353 -1.70319621 -4.25420505 -14.29797792 -24.11241994 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00256363-01 196718116 tox21-ror-cho-viability-p1 set2 4 -3.36543631 -3.52274552 -0.76162705 0.47596021 -3.35323749 2.16943956 -2.85237522 -6.81253041 -2.97287798 -0.44745453 -0.89098069 -2.88325949 -0.75963535 -3.27794117 1.57268389 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1114-71-2 14215 144213185 A A Pebulate O=C(SCCC)N(CCCC)CC Tox21_302868 -NCGC00257031-01 196718966 tox21-ror-cho-viability-p1 set2 4 6.8589621897 7.6429128599 -5.1429128599 2.5 0.5 0.3902624354 0.284270261 -6.63884273 -5.12395188 -5.4509578 0.28523582 -6.53857971 -1.87635826 -10.11909405 -1.76122683 -0.78950238 -3.18790327 -2.29597724 -2.79458408 0.58661504 0.8400305 0.43620954 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-02-9 6796 144213505 A A Benzo(f)quinoline c2cc1ncccc1c3ccccc23 Tox21_303188 -NCGC00090701-06 196718540 tox21-ror-cho-viability-p1 set2 4 0.40469378 0.85639408 0.45001868 0 0.59186927 -5.5777985 -6.78295606 -0.53215418 1.82776624 -1.59629525 0 1.01443016 2.94058584 -0.13120171 1.68397196 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00257247-01 196718544 tox21-ror-cho-viability-p1 set2 4 -0.69655922 -7.48868839 0.52503463 -4.86310222 -5.40068403 -1.99404761 -1.22891081 -3.02376042 -6.67088103 -3.2952658 -4.11547666 -1.10505235 -4.94011091 -3.9702229 -6.25015695 7.078E-10 1.583E-9 3.539E-9 7.9139999999E-9 1.77E-8 3.9569999999E-8 8.848E-8 1.9779999999E-7 4.424E-7 9.892E-7 0.000002212 0.000004946 0.00001106 0.00002473 0.000055299999999 1434-54-4 15032 144213832 A A Pregnenolone carbonitrile CC(=O)[C@H]4[C@H](C#N)C[C@@H]3[C@]4(C)CC[C@H]2[C@H]3CC=C1C[C@@H](O)CC[C@@]12C Tox21_303525 -NCGC00256996-01 196718951 tox21-ror-cho-viability-p1 set2 4 2.13075728 -3.56844753 -3.71372953 -2.91827576 -8.14913344 -4.61785113 -6.63618069 -3.59435962 -2.21059533 0.10304081 -4.21969515 -1.75138286 0.78603565 -2.8575667 -4.35682925 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 1760-24-3 15659 144213545 F Fns N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine CO[Si](CCCNCCN)(OC)OC Tox21_303228 -NCGC00256322-01 196718974 tox21-ror-cho-viability-p1 set2 4 0.3063785869 -8.2594088199 0 -8.2594088199 3.5117481694 0.3703318831 0.3003445365 -1.61716461 1.49363897 2.87612677 0 -4.1165859 0.68113519 -1.14320915 -3.66387204 -12.9326655 -7.64735203 -21.04950735 2.65269779 -2.98060693 -5.08065854 -11.90685573 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1212-29-9 727200 144213155 A A N,N'-Dicyclohexylthiourea S=C(NC1CCCCC1)NC2CCCCC2 Tox21_302838 -NCGC00091499-05 196719402 tox21-ror-cho-viability-p1 set2 4 2.26586405 1.04605301 3.31945895 4.54903369 2.43592258 5.31834 1.60081874 8.00049679 -1.28105823 -0.12045866 6.03637506 -1.97938906 -1.05862954 -0.5914725 -0.03251763 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00256852-01 196719406 tox21-ror-cho-viability-p1 set2 4 0.23187087 -2.85384981 -0.41151222 0.25962077 3.13967071 5.18942356 0.99078487 4.0807165 0.73062839 2.48206865 4.77144655 -3.9836319 -0.30561954 3.19404596 4.15598084 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.962E-8 6.622E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 867-81-2 23679004 144212804 A A Sodium pantothenate [Na+].CC(C)(CO)[C@@H](O)C(=O)NCCC([O-])=O Tox21_302487 -NCGC00256955-01 196719413 tox21-ror-cho-viability-p1 set2 4 30.6378586933 14.195235296 -5.195235296 9 0.5 0.5948706011 0.1016940769 -0.96580921 -7.07584601 -4.69315302 -6.23686723 -8.91269608 -4.72721236 -3.11981199 -0.14970039 -3.06933238 0.27406595 -4.26644706 -0.74218007 -0.15769098 0.62367576 6.2235889 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1498-51-7 15158 144213476 F A Ethyl dichlorophosphate ClP(Cl)(=O)OCC Tox21_303159 -NCGC00255780-01 196728732 tox21-ror-cho-viability-p1 set3 4 -13.94864322 -2.32199746 5.48434733 1.18126958 -5.95413074 -5.59272833 -6.23528733 6.19238134 6.65971079 -6.31753239 -6.68658604 -5.68474927 -7.24567543 -5.70121913 1.58820173 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5471-51-2 21648 144211776 A A 4-(4-Hydroxyphenyl)butan-2-one Oc1ccc(CCC(C)=O)cc1 Tox21_301459 -NCGC00256120-01 196728736 tox21-ror-cho-viability-p1 set3 4 -1.74263016 -3.8147841 -1.87069053 -1.43135179 0.11785233 0.1232121 1.07977622 1.62583323 0.2912239 0.79759362 3.02668996 -0.29467788 -1.1381985 -1.29112178 4.92588459 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7779-31-9 111032 144211717 A 3,3,5-Trimethylcyclohexyl 2-methylprop-2-enoate O=C(OC1CC(C)CC(C)(C)C1)C(=C)C Tox21_301400 -NCGC00091468-02 196728328 tox21-ror-cho-viability-p1 set3 4 0.95771829 -0.29749604 0.92147132 2.16304461 5.77906156 0.62143166 0.77477817 0.92161112 1.94563398 1.9033188 0.97828841 0.2847213 2.66010396 3.01222571 1.45231814 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00256158-01 196728329 tox21-ror-cho-viability-p1 set3 -2.2 61.130564862 -63.0154057439 0.1609119909 -62.854493753 2.5884283767 0.8986460143 0.0003442948 -1.19676096 -5.44756725 -6.73942843 1.92873713 -0.94095565 -1.98907143 4.87766227 0.82062229 1.79866663 10.87804197 2.00246164 -0.12809215 -6.95273325 -15.679348 -47.51283812 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 42594-17-2 3036974 144211588 A A Octahydro-1H-4,7-methanoindene-1,5-diyldimethanediyl bisprop-2-enoate C=CC(=O)OCC2CCC3C1CC(CC1COC(=O)C=C)C23 Tox21_301271 -NCGC00255437-01 196728750 tox21-ror-cho-viability-p1 set3 4 -2.16851301 2.60961156 0.76554532 2.82091209 2.12932938 4.01011394 7.17702017 2.91737906 1.21603038 1.31530635 2.12562104 -0.58331278 0.95887263 1.787133 2.37484595 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3613-30-7 19223 144212272 F F 7-Methoxy-3,7-dimethyloctanal COC(C)(C)CCCC(C)CC=O Tox21_301955 -NCGC00255236-01 196729162 tox21-ror-cho-viability-p1 set3 4 0.60223649 -0.09981111 -2.01831845 1.55023875 2.6062511 0.62942596 5.25036777 2.58045913 2.19684086 -4.04265911 -5.84425172 2.09702191 -0.73222189 0.69996544 2.25006717 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 165252-70-0 197701 144212759 A A Dinotefuran [O-][N+](=O)/N=C(/NC)NCC1CCOC1 Tox21_302442 -NCGC00164127-03 196729165 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -123.8449300849 3.9265325462 -119.9183975387 4.5044702849 0.9392898956 0.0000240538 0.23080265 -2.63038282 0.27727393 -0.45639673 1.79414741 8.63913229 17.0133128 -9.53496294 9.55665108 1.50709534 7.69089622 9.75460552 9.656594 -7.0768334 -95.17333138 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00258679-01 196729564 tox21-ror-cho-viability-p1 set3 4 0.04939461 0.60888522 -10.46064092 3.06720398 1.75022596 2.71997925 1.95308383 0.23097787 3.33568157 1.68586001 2.93600788 1.1593939 -1.88994754 -2.97431851 0.85043971 1.2169999999E-9 2.7209999999E-9 6.084E-9 1.36E-8 3.042E-8 6.802E-8 1.521E-7 3.401E-7 7.604E-7 0.0000016999999999 0.0000038019999999 0.000008502 0.00001901 0.00004251 0.00009506 540-84-1 10907 144208325 FNS 2,2,4-Trimethylpentane CC(C)CC(C)(C)C Tox21_201127 -NCGC00258626-01 196729570 tox21-ror-cho-viability-p1 set3 4 0.47046547 0.50863946 -0.42598877 0.05243314 -0.98099372 -0.02786005 0.98762992 -1.07891944 0.94708599 0.32765498 -0.53727369 0.26196247 -1.97398861 -2.41626413 3.0084782 1.1859999999E-9 2.6519999999E-9 5.929E-9 1.326E-8 2.964E-8 6.629E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.0000037059999999 0.000008286 0.00001853 0.000041429999999 0.00009264 75-75-2 6395 144208271 A Methanesulfonic acid CS(=O)(=O)O Tox21_201073 -NCGC00258158-01 196729571 tox21-ror-cho-viability-p1 set3 4 -5.83420259 10.25983001 4.36065976 12.74061474 -5.33687558 0.91194597 -2.59916866 -1.16625852 5.84259753 9.74413952 1.56791078 9.01265595 2.92155266 3.63778995 1.43604286 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 22113-88-8 10197675 144207802 A A Propylammonium nitrate CCCN.[O-][N+](=O)O Tox21_200604 -NCGC00090965-04 196729579 tox21-ror-cho-viability-p1 set3 4 -6.77869842 -5.10192717 2.96233436 -5.86687256 -6.78803369 -7.44013332 3.04020545 -1.67998627 -3.06155041 -10.92489872 -0.89980769 0 -6.70515701 -2.10164698 0.99880389 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00091657-02 196729582 tox21-ror-cho-viability-p1 set3 4 0.11104084 2.52950265 1.03365974 0.6353244 -5.16223384 0.88789838 0.99826023 0.21707793 1.41823622 9.10746404 2.33610699 0.40129886 -2.06625999 0.90636245 -2.5293151 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00094532-06 196729588 tox21-ror-cho-viability-p1 set3 4 2.42911758 2.22672069 -1.09811232 2.58843952 0.43049841 0.49502576 -1.69902316 2.99040119 1.00728505 2.94874372 1.81878758 3.27484942 0.18137229 0.34274344 0.0624465 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00016760-08 196713000 tox21-ror-cho-viability-p1 set2 4 -1.4507377 -0.84239499 -1.80328394 -5.00405835 -1.38994853 -1.81321228 -2.33589056 -2.6699935 0.61738258 -1.00881729 -1.03548896 -0.73758844 0.73846152 0.69676349 0.15681787 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 22232-54-8 31072 170465583 A Carbimazole S=C1N(C=CN1C)C(=O)OCC Tox21_110596_1 -NCGC00255074-01 196699267 tox21-ror-cho-viability-p1 set1 4 -0.20271824 -2.38376229 -1.84059097 -0.5514827 -2.01876648 0.22748574 -0.80740381 -3.6424472 -1.68740486 0.69995269 -2.33057931 -2.40679889 -1.80141455 -0.36360388 0.65056482 1.179E-9 2.635E-9 5.8929999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.366E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.000041179999999 0.000092069999999 3766-60-7 19587 144211493 A A Buturon Clc1ccc(NC(=O)N(C)C(C)C#C)cc1 Tox21_301176 -NCGC00254762-01 196699251 tox21-ror-cho-viability-p1 set1 4 9.6885416101 -5.1772633999 1 -4.1772633999 3.1319983358 0.3588409619 0.3140028052 2.07380689 -0.70497596 2.77246176 2.79696417 0.79316286 1.30664844 -0.25544101 0.16720073 -1.42880459 0.34638352 0.47878986 2.64176667 -11.3977195 -0.23885684 -3.0175735 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60207-90-1 43234 144211176 A A Propiconazole Clc1ccc(c(Cl)c1)C3(Cn2ncnc2)OCC(CCC)O3 Tox21_300859 -NCGC00254813-01 196699253 tox21-ror-cho-viability-p1 set1 4 -4.06275576 -5.07732102 -2.94994031 -6.27603661 1.23446117 -2.62907817 -2.07122658 1.85844386 -0.13226852 -1.31286211 -1.76086562 0.39420383 0.69615304 -4.67239987 -8.49016415 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-68-9 6982 144211226 A A 6-Chlorothymol Oc1cc(C)c(Cl)cc1C(C)C Tox21_300909 -NCGC00163930-04 196699261 tox21-ror-cho-viability-p1 set1 4 1.36215994 -5.06987459 4.02524813 -2.86555609 -1.64775586 -2.39762954 -1.54438707 4.23576876 1.14265196 0.77163132 0.1748411 -2.7025913 -5.43672005 0.83847611 0.34392906 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00254706-01 196699668 tox21-ror-cho-viability-p1 set1 4 3.15288915 -0.59751071 -0.4411099 2.82905844 2.57547809 2.60669699 4.03797279 -0.91862086 -0.2036994 2.23733335 1.6812076 0.8754931 3.81619865 2.08297283 -1.05564789 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 34014-18-1 5383 144211119 A A Tebuthiuron CC(C)(C)c1nnc(s1)N(C)C(=O)NC Tox21_300802 -NCGC00254366-01 196699677 tox21-ror-cho-viability-p1 set1 4 0.0054482673 4.14955664 -3.14955664 1 4.9549173134 0.3945920668 0.2823755341 1.10204797 -8.0412972 -0.29548779 0.21687178 1.74749136 0.98829071 1.96064403 0.30374602 -0.23907213 2.8342328 3.09611862 0.8469473 0.6168903 0.0451144 1.69126589 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33820-53-0 36606 144210740 A A Isopropalin [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)C(C)C Tox21_300422 -NCGC00254668-01 196699682 tox21-ror-cho-viability-p1 set1 -2.2 24.3365162115 -43.4803728639 5 -38.4803728639 1.01 0.9453809437 0.0000136263 8.06692958 2.3636962 8.00621477 0.95998963 7.32387975 1.57166035 7.82092431 0.41475618 6.80382712 0.05995832 -1.2288311 -7.25816615 -12.25521346 -23.16025102 -30.40031072 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101463-69-8 91766 144211081 A A Flufenoxuron Clc3cc(ccc3Oc2ccc(NC(=O)NC(=O)c1c(F)cccc1F)c(F)c2)C(F)(F)F Tox21_300764 -NCGC00256240-01 196700086 tox21-ror-cho-viability-p1 set1 -2.2 8.7331934566 -43.7979013324 0 -43.7979013324 0.8999999999 0.9459900071 0.0000128141 0.80827503 2.05034922 -0.2480245 -0.67471197 -0.86927507 -6.56188902 -0.33507576 -0.57588399 0.97567943 -1.91164379 -17.13570112 -14.48201617 -23.99548155 -32.43672121 -36.96810707 7.3729999999E-10 1.649E-9 3.687E-9 8.244E-9 1.8429999999E-8 4.1219999999E-8 9.217E-8 2.061E-7 4.6079999999E-7 0.0000010299999999 0.000002304 0.000005152 0.00001152 0.00002576 0.0000576 15905-32-5 3259 144211951 Erythrosin B Ic4c5Oc1c(I)c(O)c(I)cc1C3(OC(=O)c2ccccc23)c5cc(I)c4O Tox21_301634 -NCGC00255915-01 196700493 tox21-ror-cho-viability-p1 set1 4 0.14264182 -2.93469573 -5.56107998 2.66862426 -5.54862716 1.58702197 1.47355524 0.57052304 -5.36029202 -1.57758157 0.232984 -3.73905575 -2.3651784 0.12612583 0.72904645 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 589-15-1 68527 144212378 F A 4-Bromobenzyl bromide BrCc1ccc(Br)cc1 Tox21_302061 -NCGC00255923-01 196700494 tox21-ror-cho-viability-p1 set1 4 1.77176184 1.37523547 0.70523323 3.03857662 -1.33543217 0.81266259 2.60449756 0.18388959 2.10697749 0.93208146 1.79731921 0.86473433 1.33136476 6.23944747 1.3086772 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 2756-56-1 23617864 144211661 A Ac Isobornyl propanoate CCC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C Tox21_301344 -NCGC00255162-01 196700498 tox21-ror-cho-viability-p1 set1 4 -12.78550431 -7.05051674 -11.63176209 -2.41673495 -6.27803381 -12.45822192 -10.21161551 1.04688423 -13.5004841 -2.76168188 -14.26881858 -11.64967613 -18.09294633 -23.69026432 -15.83196485 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26896-20-8 62817 144212561 Z F Neodecanoic acid CC(C)CCC(C)(CC)C(=O)O Tox21_302244 -NCGC00249923-01 196725444 tox21-ror-cho-viability-p1 set3 4 -6.50667545 0 2.16262706 -0.86941381 -5.36145904 -2.2924679 -8.38996366 3.16320645 -4.35082116 -1.39606038 -0.01481904 1.92395074 -2.42583095 2.40766593 1.57033174 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14929-11-4 5217 170466018 F A Cholesolvin Clc2ccc(OC(C)(C)C(=O)OCCCOC(=O)C(C)(C)Oc1ccc(Cl)cc1)cc2 Tox21_113699 -NCGC00258983-01 196708656 tox21-ror-cho-viability-p1 set2 -2.4 50.5395996001 -31.8782725159 -1.5 -33.3782725159 2.3331733767 0.9539447664 0.0000053839 0.23070824 -1.33078625 -6.16336449 -2.12108782 -1.25343332 -1.37136145 -0.78468437 -2.27300334 -0.10598615 -0.03674893 -0.58387388 -0.06187701 -3.95490281 -14.14650804 -27.39856043 1.22E-9 2.7279999999E-9 6.099E-9 1.3639999999E-8 3.049E-8 6.819E-8 1.525E-7 3.409E-7 7.6239999999E-7 0.000001705 0.0000038119999999 0.000008523 0.000019059999999 0.000042619999999 0.00009529 52918-63-5 40585 144208630 A A Deltamethrin Br/C(Br)=C/[C@H]3[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc1ccccc1)c2)C3(C)C Tox21_201432 -NCGC00256672-01 196707845 tox21-ror-cho-viability-p1 set1 4 -0.85650872 -0.07979761 -2.81943563 -0.50175051 -15.72127001 -20.1696 -14.39695095 -5.70189264 -11.29656919 -5.97744415 2.63351797 0.35363088 3.9049427 -7.59338534 -10.51302931 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-36-6 7649 144212955 A Fc Ethyl cinnamate O=C(C=Cc1ccccc1)OCC Tox21_302638 -NCGC00257120-01 196708249 tox21-ror-cho-viability-p1 set1 4 5.06582202 1.0127758 1.32983538 2.71556164 3.73787429 4.0859167 2.28715638 5.95272822 2.30737421 4.20645544 4.72394346 2.72536849 5.61306199 6.22717857 6.27133148 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 644-97-3 12573 144213387 F A Phenyl phosphorus dichloride ClP(Cl)c1ccccc1 Tox21_303070 -NCGC00256488-01 196708255 tox21-ror-cho-viability-p1 set1 4 1.60985243 0.23600128 3.65868871 3.63817609 -1.07347828 3.4018724 -0.14554908 -3.50348423 -0.56040869 -0.15534031 -12.55794763 -1.46365367 2.48706184 -0.91962307 5.03252929 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 87-68-3 6901 144213053 A Hexachloro-1,3-butadiene Cl/C(Cl)=C(\Cl)C(\Cl)=C(\Cl)Cl Tox21_302736 -NCGC00258993-01 196708657 tox21-ror-cho-viability-p1 set2 4 3.46097082 0.34061359 1.33486845 4.75431666 2.21456569 3.22237808 3.2969494 1.10815587 -0.0012065 2.03280988 3.27780527 6.3461712 5.00773749 5.75278147 4.94456679 1.177E-9 2.6319999999E-9 5.886E-9 1.316E-8 2.943E-8 6.58E-8 1.471E-7 3.29E-7 7.357E-7 0.000001645 0.000003679 0.000008225 0.00001839 0.00004113 0.00009196 88-75-5 6947 144208640 D 2-Nitrophenol O=[N+]([O-])c1ccccc1O Tox21_201442 -NCGC00259815-01 196708660 tox21-ror-cho-viability-p1 set2 -2.4 54.5380840886 -32.024720584 -2.5 -34.524720584 2.4063783767 0.8795321304 0.0008069868 0.04753202 -2.45512107 -9.38691978 -6.00576369 -2.56259433 -2.40170411 -0.86599089 -2.21381198 -1.63408572 -2.20102072 -1.85762145 -1.01648202 -1.12659881 -14.57170984 -27.10393382 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.6019999999E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.0000036909999999 0.000008252 0.000018449999999 0.000041259999999 0.00009226 1083-27-8 14127 144209464 A A Hexylparaben Oc1ccc(cc1)C(=O)OCCCCCC Tox21_202266 -NCGC00259856-01 196708662 tox21-ror-cho-viability-p1 set2 -1.1 4.9002498675 -68.1010705859 1.4696722999 -66.631398286 1.692447691 0.9933421519 1E-10 4.81124155 -0.48698692 0.45580714 -0.12355795 1.02393252 0.7023372 1.55965285 1.19146214 -0.62063171 -8.94066636 -22.04510013 -47.49751237 -61.79924906 -60.25110653 -70.49203545 1.189E-9 2.6589999999E-9 5.945E-9 1.3289999999E-8 2.9719999999E-8 6.646E-8 1.486E-7 3.323E-7 7.4309999999E-7 0.000001662 0.0000037149999999 0.0000083079999999 0.000018579999999 0.00004154 0.000092879999999 7778-50-9 24502 144209505 Potassium dichromate [K+].[K+].[O-][Cr](=O)(=O)O[Cr]([O-])(=O)=O Tox21_202307 -NCGC00257153-01 196707036 tox21-ror-cho-viability-p1 set1 4 2.35110437 0.08747534 1.94788358 2.44900436 -2.17994708 1.20793144 0.46983587 0.67164077 3.6739914 4.2164904 -2.19146074 -1.06512603 -1.20658433 1.07402909 4.31523913 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.00004121 0.00009216 68-11-1 1133 144213623 A Thioglycolic acid O=C(O)CS Tox21_303306 -NCGC00259620-01 196706613 tox21-ror-cho-viability-p1 set1 4 2.01733466 2.83507519 3.51233855 -0.10652795 -0.54635505 1.97212487 0.04817222 -0.84063914 2.28605005 11.70684031 -0.39725108 0.75940615 1.5392404 3.74443055 2.66610552 1.167E-9 2.61E-9 5.836E-9 1.305E-8 2.918E-8 6.525E-8 1.459E-7 3.262E-7 7.295E-7 0.000001631 0.000003648 0.000008156 0.000018239999999 0.00004078 0.00009119 104-76-7 7720 144209269 A A 2-Ethyl-1-hexanol CCC(CCCC)CO Tox21_202071 -NCGC00256932-01 196707023 tox21-ror-cho-viability-p1 set1 4 76.9588215421 12.490675336 -3.490675336 9 4.9549173134 0.5512177602 0.1362551576 -6.1979476 -7.07556278 -3.54273794 -2.95695896 -4.16773934 -6.08831732 -3.72142277 -0.87437425 -0.22490237 -3.5497158 -0.27263976 -3.90374336 -0.77640081 -5.67611354 6.33233689 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3164-85-0 23669619 144213420 A Potassium 2-ethylhexanoate [K+].[O-]C(=O)C(CC)CCCC Tox21_303103 -NCGC00164164-02 196707030 tox21-ror-cho-viability-p1 set1 4 -9.27929533 -7.22107631 -1.00541528 -9.34710711 -5.24711631 -10.46480319 -10.87488787 -6.63279567 -2.95975598 -12.90229721 -10.77355007 -9.70664881 -4.43752535 -7.92081383 -5.40075752 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 550-44-7 11074 144214014 A A N-Methylphthalimide O=C2c1ccccc1C(=O)N2C Tox21_400053 -NCGC00255187-01 196707037 tox21-ror-cho-viability-p1 set1 4 2.19456257 1.55639578 0.58903426 1.76462711 1.33765597 0.60704061 10.09727176 1.71689132 4.42714794 2.48221589 -0.45434085 5.40296402 7.17026416 3.01693207 1.86759726 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68-22-4 6230 144212744 A A Norethindrone O=C4CC[C@H]3C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@@]1(O)C#C)=C4 Tox21_302427 -NCGC00256466-01 196707440 tox21-ror-cho-viability-p1 set1 4 27.3060203028 13.197768092 -0.697768092 12.5 2.3331733767 0.6492438759 0.0648933365 -1.2999372 -0.21153023 5.36277495 -0.63325044 -6.83147341 -0.44003621 0.53089482 -0.75506738 0.13517166 -5.41968969 -1.18548472 3.62000891 1.13381172 9.85593715 11.35594693 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-03-2 7903 144213341 Fns 1-Nitropropane [O-][N+](=O)CCC Tox21_303024 -NCGC00091499-05 196721054 tox21-ror-cho-viability-p1 set3 4 30.6378586933 12.393956632 -3.393956632 9 0.8999999999 0.5755240098 0.116310438 -2.90756264 -5.74496386 2.19880469 -4.35168064 -3.16796007 -5.25144949 -5.58242505 -1.83359931 -3.72310368 -1.18319336 -1.18123264 1.93035679 -3.58704222 5.4746015 5.97415558 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00257517-01 196720653 tox21-ror-cho-viability-p1 set3 4 0.0068589622 10.048280444 -10.548280444 -0.5 1.0999999999 0.3865674769 0.2855953363 -6.90093149 -12.95690037 -2.8914212 -1.83616069 -5.7696608 -3.69470264 1.3181558 2.75851907 1.40847902 2.16376185 3.62703187 -6.61401143 2.63771644 -7.30427316 -1.04897013 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 14901-07-6 26955 144211026 D 4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one CC=1CCCC(C)(C)C=1C=CC(C)=O Tox21_300709 -NCGC00255098-01 196720658 tox21-ror-cho-viability-p1 set3 -2.1 61.130564862 -129.5371814364 12.2047925109 -117.3323889255 4.0449729863 0.9312793564 0.0000465523 12.05341611 1.77723365 6.72288085 10.78094491 13.12365626 9.78737655 0 18.04610472 17.67563387 23.48669082 24.77946736 17.36506115 -0.88263265 -7.00543551 -97.26845775 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 133-53-9 8621 144211518 A A 2,4-Dichloro-3,5-dimethylphenol Cc1cc(O)c(Cl)c(C)c1Cl Tox21_301201 -NCGC00254144-01 196720659 tox21-ror-cho-viability-p1 set3 4 11.90832036 -1.00721145 14.82066045 9.44755489 1.15179667 6.32357807 12.67468529 2.10149497 10.24954936 0.22248916 2.97525871 -1.09394098 0.50019868 6.33512817 -2.98954739 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-87-3 7411 144210491 A Bc Benzal chloride ClC(Cl)c1ccccc1 Tox21_300171 -NCGC00259371-01 196721056 tox21-ror-cho-viability-p1 set3 4 -5.06282897 -5.40095724 -3.61173535 0.32985388 -0.56500666 -5.81960083 -3.69174362 -2.92995154 -5.35210407 -2.81811725 -4.53876615 -4.38890563 -5.49377401 -4.50817745 -11.40399009 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.61E-8 1.4779999999E-7 3.305E-7 7.3899999999E-7 0.0000016519999999 0.0000036949999999 0.000008262 0.000018469999999 0.00004131 0.00009237 25013-16-5 8456 144209020 A A Butylated hydroxyanisole CC(C)(C)c1cc(ccc1O)OC Tox21_201822 -NCGC00015082-09 196717732 tox21-ror-cho-viability-p1 set2 4 -0.18842734 0.0293585 -0.36585128 0.37169986 4.00985039 2.99433692 4.5819241 2.82453164 1.98321481 -0.14188563 3.44052607 0.29300116 2.53889459 0.53688092 2.33559073 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 996-19-0 2734952 170466652 F Pimagedine NC(=N)NN.O=S(=O)(O)O.N=C(N)NN Tox21_111552_1 -NCGC00163774-04 196717321 tox21-ror-cho-viability-p1 set2 4 1.26926952 1.52647628 1.01727019 3.59624672 2.91288869 7.27642239 3.24579193 0.55258083 1.18811602 1.87379087 4.01707241 2.29113749 0.82132346 1.03739821 -0.43711068 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00159373-04 196717323 tox21-ror-cho-viability-p1 set2 4 2.96534013 -1.43881107 -0.26939661 2.31271606 4.81427154 2.57831407 6.23777682 6.12063178 0.73725516 1.1607808 2.90598987 2.62493231 -0.9865306 -0.26534911 -1.78629211 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 89-83-8 6989 170465504 Ac Thymol CC(C)c1ccc(C)cc1O Tox21_111613_1 -NCGC00024778-02 196717331 tox21-ror-cho-viability-p1 set2 4 -3.21934628 -6.73454853 -0.92422946 -0.78790868 -0.75763074 -0.43055426 -0.6113282 0.0900566 -6.08309707 -0.04283429 -3.71741944 -3.61295896 -0.74427373 -2.81605221 -2.21303137 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 90293-01-9 2377 170465900 A Bifemelane CNCCCCOc2ccccc2Cc1ccccc1 Tox21_110926_1 -NCGC00018243-09 196717733 tox21-ror-cho-viability-p1 set2 4 -1.39953011 0.34328522 -1.62255824 0.80729602 1.79879688 -3.912963 -1.7235753 1.67855023 -0.56884114 -4.78960964 -4.9756968 -3.53040223 -7.3764174 -4.6095367 -6.01564169 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-68-1 5327 170464893 A Sulfamethazine O=S(=O)(Nc1nc(C)cc(C)n1)c2ccc(N)cc2 Tox21_110847_1 -NCGC00263444-01 196717736 tox21-ror-cho-viability-p1 set2 4 1.49298342 1.06955969 1.25694121 4.12734858 3.7204983 0.30695828 4.23522533 3.21346784 -0.29141685 1.09902112 4.49047264 -0.0568948 1.84824984 1.65221925 -0.84145659 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7601-55-0 24244 170465111 F Metocurine iodide [I-].[I-].COc7ccc1cc7Oc6cc5c(CC[N+](C)(C)[C@H]5Cc4ccc(Oc3c2c(CC[N+](C)(C)[C@@H]2C1)cc(OC)c3OC)cc4)cc6OC Tox21_112755_1 -NCGC00016705-10 196717737 tox21-ror-cho-viability-p1 set2 4 0.421632496 -3.7593774 1.5 -2.2593774 4.9549173134 0.4209454918 0.2730228265 -0.03862026 0.2396139 0.02798498 1.64199048 1.83889923 -0.29207527 2.46607276 7.82047869 0.37184301 -4.3828145 -2.13105215 -0.50223579 -2.18253347 -1.20207316 2.32793548 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13710-19-5 610479 170465638 A Tolfenamic acid Cc2c(Nc1ccccc1C(=O)O)cccc2Cl Tox21_110570_1 -NCGC00090820-03 196717744 tox21-ror-cho-viability-p1 set2 4 5.3959711 -2.03840129 0.03373251 2.69398167 1.43175501 2.5729788 -1.06643947 3.1693105 0.22740442 -1.61460128 -1.50701413 -1.36546122 -1.28178624 2.68813857 6.03148645 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 556-08-1 19266 170466207 Fc 4-Acetamidobenzoic acid O=C(C)Nc1ccc(cc1)C(=O)O Tox21_111029_1 -NCGC00166113-04 196713432 tox21-ror-cho-viability-p1 set2 -2.1 11.8832183006 -68.052819669 0.0629282419 -67.9898914271 3.9294729863 0.9569369997 0.0000096671 1.12687649 3.54791401 1.58683044 -0.00777554 -0.08660865 -0.89376934 -3.40057407 -3.14485949 -0.82090301 1.46034446 -3.84425964 -2.54071077 -11.62126152 -70.82280357 -20.45838445 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 886-38-4 65057 170465593 A Diphenylcyclopropenone O=C2C(=C2c1ccccc1)c3ccccc3 Tox21_112322_1 -NCGC00090903-11 196713422 tox21-ror-cho-viability-p1 set2 4 0.0008412674 -15.1656340079 15 -0.1656340079 2.9022712143 0.802973481 0.0076459454 11.30682885 2.6066458 2.19573894 0.92141288 0.33099028 1.0716844 1.84869246 -2.03649811 -3.88802834 0.58875654 -0.44981952 0.13817132 -0.71233784 0.39522948 -1.12992878 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 599-79-1 5359476 170464716 A Sulfasalazine O=S(=O)(Nc1ccccn1)c3ccc(/N=N/c2cc(C(=O)O)c(O)cc2)cc3 Tox21_111037_1 -NCGC00016698-06 196713427 tox21-ror-cho-viability-p1 set2 4 11.8832183006 -17.10809908 0 -17.10809908 0.7999999999 0.7626779723 0.0160455126 3.80224962 0.3333544 1.21725456 1.43165585 -5.86561572 -1.54027912 0.27170315 -1.43659012 -0.20126264 -4.16928451 -1.08973559 -6.89901357 -4.68209545 -11.78218313 -13.4234159 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13187-06-9 5702167 170466169 A Pimethixene maleate O=C(O)/C=C\C(=O)O.CN1CC\C(CC1)=C2/c4ccccc4Sc3ccccc23 Tox21_111354_1 -NCGC00182055-03 196713430 tox21-ror-cho-viability-p1 set2 -3 33.4914596268 -74.9666240026 -0.3409133479 -75.3075373505 4.9549173134 0.9587369654 0.0000029133 -0.75225148 -0.14573247 -8.55560012 -1.568404 -0.09005935 0.97812792 -0.17271252 -1.33329336 0.43676423 0.03718833 -0.65345224 1.3320697 0.78797321 2.34989019 -66.05924329 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 198481-33-3 154256 170466793 A Bazedoxifene acetate CC(=O)O.Oc1ccc(cc1)c5c(C)c2cc(O)ccc2n5Cc3ccc(cc3)OCCN4CCCCCC4 Tox21_113013_1 -NCGC00159417-06 196713841 tox21-ror-cho-viability-p1 set2 -2.1 27.9459419698 -86.36032756 1.389426154 -84.970901406 1.8079476909 0.987328356 3.3E-9 1.40343438 0.48125932 1.45365668 2.55228089 2.80093316 0.75821016 0.40569025 0.71604128 0.64110208 -0.23681976 1.19839818 -4.89511804 -32.10318999 -52.47584819 -83.3048053 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00257131-01 196727104 tox21-ror-cho-viability-p1 set3 -2.2 54.4826732819 -55.9986864761 1.350084935 -54.6486015411 3.9899729863 0.9954890334 0 0.24062217 1.99336156 0.35860007 2.16758312 1.67812388 1.73234623 0.54130247 0.10567192 0.70101779 0.30086577 2.90172524 1.43493113 1.54449453 -11.98238207 -48.59742541 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 7085-85-0 81530 144213552 F F Ethyl cyanoacrylate N#CC(=C)C(=O)OCC Tox21_303235 -NCGC00257806-01 196701756 tox21-ror-cho-viability-p1 set1 4 7.6567671507 6.1100936359 -0.1100936359 6 2.7202212143 0.6034615821 0.0961147802 -0.41612388 -3.02533095 1.85764179 2.40587979 -4.67507803 0.3697491 2.56376943 -0.38009243 1.94414918 0.44881327 0.08357598 2.76019085 6.53346829 6.55094823 4.93355203 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.569E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003672 0.0000082119999999 0.000018359999999 0.00004106 0.00009181 621-42-1 12124 144207450 A A 3-Acetamidophenol Oc1cccc(NC(C)=O)c1 Tox21_200252 -NCGC00258607-01 196701758 tox21-ror-cho-viability-p1 set1 4 0.1095922211 5.348820692 1.151179308 6.5 1.8851180601 0.7134447201 0.0331808627 -0.25695194 1.56565716 -0.29068391 3.99497014 1.20459257 1.17264808 4.09775347 9.87637066 6.96148863 6.35309713 6.46479326 5.58384231 5.93419279 6.0821722 4.54276236 1.188E-9 2.657E-9 5.942E-9 1.3289999999E-8 2.971E-8 6.6429999999E-8 1.4849999999E-7 3.3219999999E-7 7.427E-7 0.0000016609999999 0.000003714 0.000008304 0.00001857 0.00004152 0.00009284 462-06-6 10008 144208252 FNS Fluorobenzene Fc1ccccc1 Tox21_201054 -NCGC00256936-01 196727509 tox21-ror-cho-viability-p1 set3 4 -5.51053977 3.57410808 -1.59347089 -4.58457088 -2.46469131 -3.44847104 -3.07518798 -6.95548276 -5.07209313 -3.06285633 -1.12101657 -5.96616397 -5.48200377 -5.59475831 1.14219659 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-18-2 61057 144213475 A 2,6,8-Trimethyl-4-nonanone CC(C)CC(C)CC(=O)CC(C)C Tox21_303158 -NCGC00090858-02 196727106 tox21-ror-cho-viability-p1 set3 4 27.3060203028 -14.3168141919 1.5 -12.8168141919 4.9549173134 0.8972037343 0.0006758545 0.33885656 0.12674424 1.52888799 1.0622579 1.06237104 0.7245742 2.60397129 3.29444772 3.7749592 0.52630555 -0.15018015 2.11266138 0.48845169 -12.34734516 4.37885406 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00257445-01 196727112 tox21-ror-cho-viability-p1 set3 4 -0.85600111 -1.72709285 1.30937933 1.58540633 -0.02441451 -0.43177311 0.03231468 -0.26478677 5.74100438 3.81767803 1.62632311 -4.30512688 -0.12195763 -0.22100487 4.19050429 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1477-55-0 15133 144213677 A F 1,3-Benzenedimethanamine NCc1cccc(CN)c1 Tox21_303362 -NCGC00256426-01 196727511 tox21-ror-cho-viability-p1 set3 4 -1.57222509 -4.29867494 2.82512617 0.05495998 -0.28153886 -0.93989353 3.3220707 7.78800362 3.50481083 6.7666953 0.80983063 0.41974876 2.43345433 -1.66013011 0.01057069 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 13071-79-9 25670 144213311 A Fc Terbufos CC(C)(C)SCSP(=S)(OCC)OCC Tox21_302994 -NCGC00257313-01 196727523 tox21-ror-cho-viability-p1 set3 4 0.1722893406 -4.8393331799 0 -4.8393331799 4.9549173134 0.3560470882 0.31573836 -1.64322782 1.77798542 0.28466296 -0.04902133 -0.43986829 -1.13678247 -0.71475311 -12.78277765 -7.26346665 -0.31728324 -1.55230965 -3.30888065 -2.27730134 -3.06588122 -9.97260707 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 712-50-5 12837 144213955 A Cyclohexylphenylketone O=C(c1ccccc1)C2CCCCC2 Tox21_303653 -NCGC00257456-01 196727529 tox21-ror-cho-viability-p1 set3 4 -0.1198534 1.76957466 0.12670416 0.14216502 -0.64196008 1.62791041 -0.05658758 0.78109556 -1.51532221 3.53279108 0.48600741 3.05876345 -0.45816066 0.59286639 -2.56431211 7.314E-10 1.636E-9 3.657E-9 8.1779999999E-9 1.829E-8 4.089E-8 9.1429999999E-8 2.0439999999E-7 4.571E-7 0.000001022 0.000002286 0.000005111 0.000011429999999 0.00002556 0.00005714 521-18-6 10635 144213957 A F 5alpha-Dihydrotestosterone O=C3C[C@@H]4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)CC[C@@H]12)[C@@]4(C)CC3 Tox21_303655 -NCGC00255375-01 196727926 tox21-ror-cho-viability-p1 set3 -3 27.3060203028 -77.093632072 -2.735157206 -79.828789278 4.9549173134 0.9388844095 0.0000557512 -0.30161314 -4.61776897 -4.5907222 -8.36850101 -4.57120822 -1.83161699 -5.61136656 -8.07879884 -6.08237032 -4.23333148 1.21244886 9.08805316 -7.76808926 -78.2635189 20.69847325 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 42978-66-5 4128060 144211599 A I Tripropylene glycol diacrylate O=C(OC(C)COC(C)COC(C)COC(=O)C=C)C=C Tox21_301282 -NCGC00255742-01 196727927 tox21-ror-cho-viability-p1 set3 4 -4.0463991 2.51773802 4.69594042 3.63088499 -0.93096534 2.85360224 4.85221015 0.7583686 2.3881653 -0.80860668 -1.51526773 -0.96667618 -4.44705829 -2.09250832 -0.80154209 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6606-59-3 81080 144212410 A A 1,6-Hexanediol dimethacrylate C=C(C)C(=O)OCCCCCCOC(=O)C(=C)C Tox21_302093 -NCGC00091602-02 196727930 tox21-ror-cho-viability-p1 set3 4 7.6020620709 -6.2891274079 3 -3.2891274079 2.7202212143 0.5093138388 0.1892853567 -1.28210341 1.96430329 5.08386712 3.20963149 2.55630273 4.21435068 6.0861554 1.87340629 3.789425 5.1942137 0.15791462 1.47141374 -6.07427284 -0.92523165 0.18227109 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00256924-01 196708269 tox21-ror-cho-viability-p1 set1 4 -2.6217501 -2.51532901 -1.41799875 -5.07728921 4.4066072 3.39003272 -0.16074233 -4.57277967 -5.23739088 2.35970305 -1.35493689 5.72651683 -0.90647297 4.31073025 4.73895985 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-59-3 7663 144213019 A F 3-Phenylprop-2-en-1-yl 2-methylpropanoate CC(C)C(=O)OCC=Cc1ccccc1 Tox21_302702 -NCGC00256285-01 196710325 tox21-ror-cho-viability-p1 set2 4 61.130564862 -27.994188012 0.5 -27.494188012 1.8579476909 0.9313681223 0.0000467661 2.34575465 -0.63213709 0.04159948 2.99626623 -0.00629596 -0.31055393 0.6418114 1.22932703 2.34056687 -3.12427882 -0.04784235 -0.66734196 -2.60089009 -8.13449902 -19.57849001 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 84-51-5 6772 144212011 A A 2-Ethylanthracene-9,10-dione CCc2ccc3C(=O)c1ccccc1C(=O)c3c2 Tox21_301694 -NCGC00255870-01 196710333 tox21-ror-cho-viability-p1 set2 4 0.50628196 0.974535 1.96467139 1.45259456 0.19559125 3.57162429 0.73857688 2.23082588 3.6780281 1.25788044 -1.9087494 -1.80504358 3.62568347 0.48749165 2.40464865 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19406-86-1 88043 144212435 A A 3-Amino-4-methylbenzamide Cc1ccc(cc1N)C(N)=O Tox21_302118 -NCGC00259710-01 196708693 tox21-ror-cho-viability-p1 set2 4 1.23633196 -0.04696965 -1.63934359 -4.54356405 0.18641364 -3.10634337 -3.23308408 -4.16812228 -1.04731501 1.40292639 -3.31547973 -3.02576206 0.37170999 -4.22152528 -3.32573462 1.177E-9 2.631E-9 5.884E-9 1.316E-8 2.942E-8 6.579E-8 1.471E-7 3.289E-7 7.355E-7 0.000001645 0.0000036779999999 0.000008223 0.00001839 0.000041119999999 0.000091939999999 124-04-9 196 144209359 A A Hexanedioic acid OC(=O)CCCCC(=O)O Tox21_202161 -NCGC00256744-01 196708280 tox21-ror-cho-viability-p1 set1 4 -7.00810654 -14.18602534 -10.94663336 -0.5764779 -13.05746323 -2.63361416 -7.80572173 -6.02646926 1.53032109 -11.01117532 -16.99147512 -1.95591442 -1.34477585 -1.24149979 -0.03741544 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 104-50-7 7704 144212886 A A 4-Octanolide CCCCC1CCC(=O)O1 Tox21_302569 -NCGC00091146-04 196708282 tox21-ror-cho-viability-p1 set1 4 61.130564862 -17.829992704 2 -15.829992704 2.6384283767 0.8013194999 0.0078509464 2.62663142 2.01566717 3.05518328 1.236758 1.18946368 2.15512082 4.09264233 6.08976556 2.34432483 0.99480035 -0.93512917 4.03892528 -1.21881189 -1.58357591 -11.52499392 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00259632-01 196708694 tox21-ror-cho-viability-p1 set2 4 -3.4011746 2.83452439 2.23465189 -1.90468026 -1.8135578 -2.04958896 -0.08432747 -0.19012377 -1.06139073 -0.42584288 -2.22686074 0.16183625 -1.20247013 3.57136309 0.82498936 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.000003681 0.00000823 0.000018399999999 0.00004115 0.00009201 111-55-7 8121 144209281 B A 1,2-Ethanediol diacetate CC(=O)OCCOC(=O)C Tox21_202083 -NCGC00259584-01 196708696 tox21-ror-cho-viability-p1 set2 4 1.61624067 -0.26072253 1.19162629 2.45139325 -2.24370761 2.22442836 1.51343102 0.15662557 1.24060494 -0.9192806 1.46773293 0.87190622 4.38525558 3.89630612 0.3170936 1.194E-9 2.67E-9 5.9699999999E-9 1.335E-8 2.985E-8 6.675E-8 1.493E-7 3.337E-7 7.463E-7 0.000001669 0.0000037309999999 0.0000083439999999 0.00001866 0.00004172 0.00009329 101-80-4 7579 144209233 A A 4,4'-Oxydianiline Nc1ccc(cc1)Oc2ccc(N)cc2 Tox21_202035 -NCGC00258990-01 196708703 tox21-ror-cho-viability-p1 set2 4 2.59485913 2.28771454 1.33937949 -0.38119761 3.07321691 2.1294149 0.54197713 2.96023623 0.1289923 1.64194226 -0.68341541 1.46262965 1.57492312 1.8790416 -0.8238803 1.163E-9 2.601E-9 5.816E-9 1.301E-8 2.908E-8 6.503E-8 1.454E-7 3.2509999999E-7 7.27E-7 0.0000016259999999 0.0000036349999999 0.000008129 0.00001818 0.00004064 0.00009088 150-68-5 8800 144208637 A A Monuron Clc1ccc(NC(=O)N(C)C)cc1 Tox21_201439 -NCGC00259039-01 196709104 tox21-ror-cho-viability-p1 set2 4 -0.08113716 2.16120602 2.52612055 1.76605938 -1.31503183 -1.66433391 -0.41764663 -0.25114993 -0.515125 -2.66787882 -1.84262026 2.00153498 -1.62922773 -0.33144496 3.90447618 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.474E-7 3.297E-7 7.3719999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009215 111-82-0 8139 144208686 AC Fns Methyl dodecanoate O=C(CCCCCCCCCCC)OC Tox21_201488 -NCGC00259731-01 196709113 tox21-ror-cho-viability-p1 set2 4 -0.87255119 -2.05563827 -9.25984964 -4.6787457 -3.17386756 -4.48974568 0.59722304 -2.35217959 -4.65577832 -0.03021988 -3.52111445 -2.65024438 -2.44649941 -2.79323082 -1.27749463 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.324E-8 2.959E-8 6.618E-8 1.4799999999E-7 3.309E-7 7.399E-7 0.0000016539999999 0.0000036989999999 0.000008272 0.0000185 0.00004136 0.00009248 81-81-2 54678486 144209380 A A Warfarin CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccccc3 Tox21_202182 -NCGC00258959-01 196709121 tox21-ror-cho-viability-p1 set2 4 0.95862726 -1.2568144 4.09852349 4.74659288 2.7497764 1.15864544 1.6260233 -1.13598577 1.72317458 0.2721898 3.76913416 3.00717509 3.59689533 5.08004781 3.76987041 1.234E-9 2.7599999999E-9 6.172E-9 1.38E-8 3.086E-8 6.901E-8 1.543E-7 3.45E-7 7.7149999999E-7 0.000001725 0.000003858 0.0000086259999999 0.00001929 0.00004313 0.000096439999999 106-43-4 7810 144208606 AC D 4-Chlorotoluene Cc1ccc(Cl)cc1 Tox21_201408 -NCGC00259348-01 196709520 tox21-ror-cho-viability-p1 set2 4 0.0196067311 12.482032024 -7.482032024 5 0.2 0.5188816312 0.165093959 -2.43454448 -4.56836002 -3.84286827 2.35350892 0.58054538 -0.48829967 -0.02279275 0.3501143 0.50054363 -0.16504469 0.2647691 0.9267445 6.85774034 2.32003162 2.44585935 1.194E-9 2.67E-9 5.9699999999E-9 1.335E-8 2.985E-8 6.675E-8 1.493E-7 3.337E-7 7.463E-7 0.000001669 0.0000037309999999 0.0000083439999999 0.00001866 0.00004172 0.00009329 111-88-6 8144 144208997 A Fns 1-Octanethiol CCCCCCCCS Tox21_201799 -NCGC00259761-01 196709526 tox21-ror-cho-viability-p1 set2 4 -1.73618461 -3.04298112 -5.53419711 -5.66696808 1.19536713 -0.29448653 -0.14290854 1.20861211 2.71699941 0.28732818 -1.42411654 2.05253397 -0.96048452 3.99037226 0.06837973 1.155E-9 2.582E-9 5.7739999999E-9 1.291E-8 2.887E-8 6.4549999999E-8 1.443E-7 3.2279999999E-7 7.217E-7 0.000001614 0.0000036089999999 0.000008069 0.000018039999999 0.00004035 0.00009022 139-02-6 4445035 144209410 A A Sodium phenolate [Na+].[O-]c1ccccc1 Tox21_202212 -NCGC00256831-01 196719433 tox21-ror-cho-viability-p1 set2 4 3.8570778872 -5.764233108 2.5 -3.264233108 4.9549173134 0.382150924 0.2904464806 0.27244353 1.21486881 0.39376747 0.63957885 1.67839894 13.14845666 1.0983055 2.18618143 1.88290859 4.50358806 -0.25027771 -4.37149012 -3.13682498 0.316785 -4.80352759 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78761-38-3 5355850 144212761 A D (2E)-3-Phenylprop-2-en-1-yl propanoate CCC(=O)OC\C=C\c1ccccc1 Tox21_302444 -NCGC00257354-01 196718982 tox21-ror-cho-viability-p1 set2 4 3.7888672192 9.738995488 -4.238995488 5.5 4.9549173134 0.5341228053 0.1652534162 1.16656281 0.18215413 0.90451778 -7.57384427 -9.78249624 -6.12038945 0.41270043 -7.23761968 -5.40162403 -7.50231182 -5.79967419 4.30385686 3.38886414 7.48139108 -0.04724789 7.196E-10 1.609E-9 3.5979999999E-9 8.046E-9 1.7989999999E-8 4.023E-8 8.995E-8 2.011E-7 4.4979999999E-7 0.000001006 0.000002249 0.000005029 0.000011239999999 0.00002514 0.000056219999999 25360-10-5 520196 144213837 F Fns tert-Nonanethiol CC(C)(S)CCCCCC Tox21_303530 -NCGC00091759-02 196719000 tox21-ror-cho-viability-p1 set2 4 24.3365162115 -11.311986508 3 -8.311986508 2.1876167061 0.7356768141 0.0243700508 -0.73229345 2.55256238 0.66185215 4.29651105 1.51191799 5.63074708 0.73060126 5.18078989 5.12122736 3.67705178 5.46126044 -0.2733798 -0.083649 -6.19106429 -7.34332209 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00256938-01 196719432 tox21-ror-cho-viability-p1 set2 4 2.14291952 1.22834905 -0.0277467 -9.156094 -0.00173146 -1.43961881 0.36454925 -1.84642238 -5.64618435 -0.72042196 1.84346286 -0.45135772 -0.76329259 -0.48143887 -5.70569591 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 1747-60-0 15630 144213500 A A 2-Amino-6-methoxybenzothiazole COc1ccc2nc(N)sc2c1 Tox21_303183 -NCGC00254255-01 196719837 tox21-ror-cho-viability-p1 set3 4 -6.74677968 -7.44995511 0.13315069 0.65831812 0.59962037 0.9538813 0.71215984 -8.70081439 3.31747658 -7.37070931 -7.44422112 -8.54630143 -6.74215499 -6.91800307 -4.06107731 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-55-8 8437 144210840 A A Diethylene glycol dibenzoate O=C(OCCOCCOC(=O)c1ccccc1)c2ccccc2 Tox21_300522 -NCGC00253938-01 196719847 tox21-ror-cho-viability-p1 set3 4 0.0056762145 11.8206562799 -11.8206562799 0 4.9549173134 0.6965706077 0.0399041578 -10.74504707 -12.3505469 -4.73866742 -0.35510947 -4.37109127 -3.58004905 1.87003965 2.18005515 0.07840391 1.56907877 -4.09632525 3.25933915 3.37251182 -3.64695122 2.09925455 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 105-67-9 7771 144210371 A A 2,4-Dimethylphenol Cc1ccc(O)c(C)c1 Tox21_300051 -NCGC00254764-01 196719851 tox21-ror-cho-viability-p1 set3 4 0.4113307374 -10.5463272879 5 -5.5463272879 3.5117481694 0.5317623946 0.166894406 -4.6440946 4.02406738 6.69570847 -1.13639181 10.14042893 13.26779716 0.30280723 9.69164905 2.0009532 -6.70527274 -5.88071468 -2.98928559 -6.15985865 -6.35994665 7.56704611 5.2499999999E-10 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 298-04-4 3118 144211178 A Disulfoton CCSCCSP(=S)(OCC)OCC Tox21_300861 -NCGC00254120-01 196719853 tox21-ror-cho-viability-p1 set3 4 -0.90584094 -0.71466203 1.40341257 -2.76017927 3.30379231 5.63738539 6.9614207 -3.8549871 5.38038942 4.5668971 5.16558185 -2.9599271 -0.35556896 -0.16326253 0.5324626 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-83-0 5994 144210627 A A Progesterone CC(=O)[C@H]2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_300307 -NCGC00254929-01 196720257 tox21-ror-cho-viability-p1 set3 4 2.1689942904 5.713463868 -7.2107892039 -1.4973253359 4.9549173134 0.4293123737 0.2451280411 -8.62607366 -13.92565767 -4.47020233 -1.04739216 -8.75213556 -11.24281241 -1.93580044 -5.93041061 -7.71907231 -6.48196035 -0.41443778 -2.15497609 -1.92132511 -1.1799558 -0.80909307 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-45-7 7654 144211344 A A 2-Phenylethyl acetate CC(=O)OCCc1ccccc1 Tox21_301027 -NCGC00018221-08 196720258 tox21-ror-cho-viability-p1 set3 4 -2.78600062 -1.37007824 -2.89118496 -6.05858614 -1.95609124 -2.84395029 0.19463389 -1.78072262 -0.17452732 0.30762377 -0.49907976 -1.07234737 -3.75453758 -0.29915959 -3.25598557 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00254588-01 196720671 tox21-ror-cho-viability-p1 set3 4 -5.55761951 -12.4315586 -2.51310542 -3.94228497 -6.24240581 -4.61860381 0.64761159 1.49097875 -5.81518017 -0.97837581 -2.9731586 -2.93258202 -5.44617952 -2.54208773 -2.7126546 1.181E-9 2.641E-9 5.905E-9 1.3199999999E-8 2.952E-8 6.601E-8 1.476E-7 3.3009999999E-7 7.381E-7 0.0000016499999999 0.00000369 0.000008252 0.000018449999999 0.000041259999999 0.00009226 57966-95-7 5364079 144210997 A C Cymoxanil N#C/C(=N\OC)C(=O)NC(=O)NCC Tox21_300680 -NCGC00091261-03 196720678 tox21-ror-cho-viability-p1 set3 4 30.3265518896 -30.872633544 6.727197252 -24.145436292 1.4780888099 0.6410873193 0.0693307089 13.19931427 3.48588304 7.64823223 -0.8218044 6.79595382 12.10091356 3.52673434 0.80979508 -0.0900403 20.71075271 7.06350695 -2.93583822 -3.55101017 -6.40572145 -23.83319233 1.1699999999E-9 2.6159999999E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.539E-8 1.462E-7 3.269E-7 7.311E-7 0.000001635 0.0000036549999999 0.000008173 0.00001828 0.000040869999999 0.00009138 119-34-6 3417419 144213988 A A 4-Amino-2-nitrophenol O=[N+]([O-])c1cc(N)ccc1O Tox21_400027 -NCGC00257750-01 196715911 tox21-ror-cho-viability-p1 set2 4 2.88762797 2.22543147 1.85552138 2.03779005 3.14599523 4.43061779 2.44409549 2.33294641 2.69162756 5.37827907 5.4364406 6.46792821 2.9524115 2.61027565 -0.18205883 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.00004119 0.000092099999999 41663-84-7 92321 144207394 A A 2-Methyl-5-nitro-1H-isoindole-1,3(2H)-dione [O-][N+](=O)c1ccc2C(=O)N(C)C(=O)c2c1 Tox21_200196 -NCGC00091380-04 196715516 tox21-ror-cho-viability-p1 set2 4 2.423227 3.10582364 -6.72777359 -1.79437942 -5.83969423 -7.1549218 0.45558997 -4.28099464 1.04068455 -0.35572194 -8.98374865 -4.87334568 1.32500404 -0.20770728 -4.78729115 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00257640-01 196715517 tox21-ror-cho-viability-p1 set2 4 -0.47507425 -6.81636317 -0.18514705 -0.9416489 0.62254876 0.00788264 -0.80660667 -1.08676386 -0.37257279 -1.23998068 1.19679023 0 0.31966723 0.96292581 0.09208059 1.162E-9 2.599E-9 5.812E-9 1.2999999999E-8 2.9059999999E-8 6.499E-8 1.453E-7 3.249E-7 7.266E-7 0.000001625 0.0000036329999999 0.0000081229999999 0.00001816 0.000040619999999 0.000090819999999 118-90-1 8373 144207284 A A 2-Methylbenzoic acid Cc1ccccc1C(O)=O Tox21_200086 -NCGC00258192-01 196715518 tox21-ror-cho-viability-p1 set2 -3 68.4501412252 -82.9335711832 8.711854303 -74.2217168802 4.9549173134 0.3850670303 0.2852853011 1.21507893 -4.34049487 -0.0811588 -3.32514343 -0.20762142 -1.68607837 -5.90938001 -1.06036226 -3.09786128 3.71759491 13.92978256 75.5278102 42.42776458 2.74382755 -58.50071754 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.3169999999E-8 2.944E-8 6.583E-8 1.472E-7 3.2919999999E-7 7.3599999999E-7 0.0000016459999999 0.00000368 0.0000082289999999 0.000018399999999 0.00004115 0.000092 55-86-7 5935 144207836 FC Nitrogen mustard hydrochloride Cl.ClCCN(C)CCCl Tox21_200638 -NCGC00257930-01 196716328 tox21-ror-cho-viability-p1 set2 4 0.49577318 2.15448459 -6.98297211 0.36097017 0.79575548 -1.87559077 -5.67968452 1.04225329 0.83491474 1.31335995 1.64438116 -5.63851386 2.43970377 0.86018449 -5.34104058 1.2069999999E-9 2.699E-9 6.0359999999E-9 1.3499999999E-8 3.0179999999E-8 6.7479999999E-8 1.509E-7 3.3739999999E-7 7.5449999999E-7 0.000001687 0.0000037719999999 0.000008435 0.00001886 0.00004218 0.00009431 92-67-1 7102 144207574 A A 4-Biphenylamine Nc1ccc(cc1)c2ccccc2 Tox21_200376 -NCGC00258521-01 196716335 tox21-ror-cho-viability-p1 set2 4 1.57176363 2.05020656 0.05768051 0.42267822 -0.1554173 -6.2383108 -1.85020765 -5.57329106 -5.26593885 -1.67725852 -2.23169047 -0.00310921 -5.11389815 0.60418151 3.13399493 1.211E-9 2.7079999999E-9 6.056E-9 1.3539999999E-8 3.028E-8 6.771E-8 1.514E-7 3.385E-7 7.57E-7 0.000001693 0.0000037849999999 0.000008464 0.00001893 0.00004232 0.00009463 6632-68-4 81133 144208166 A A 6-Amino-1,3-dimethyl-5-nitroso- 2,4(1H,3H)-pyrimidinedione CN1C(N)=C(N=O)C(=O)N(C)C1=O Tox21_200968 -NCGC00090874-06 196712626 tox21-ror-cho-viability-p1 set2 4 0.0007497804 -17.536284828 18 0.463715172 4.4494702849 0.7903674311 0.0098281996 13.83114079 1.83626676 3.39473808 4.05312431 2.50722052 0.84748974 0.41681216 1.11228603 1.54198673 -0.76421668 -0.97137151 -1.65600907 0.47812772 -2.11357069 -0.61524054 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-03-6 5794 170464741 F Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_111034_1 -NCGC00357117-01 196711795 tox21-ror-cho-viability-p1 set2 -3 13.6854287769 -69.6982868468 0.92804246 -68.7702443868 2.7202212143 0.938242828 0.1667287236 3.62090541 2.67014278 -1.67251537 -0.07378662 1.38566349 -2.4535238 -1.19328639 -36.11223277 -1.30597308 -0.01063413 -1.91964699 -3.56343415 -52.09866999 0.07696958 -11.02210968 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1207-12-1 71012 251919980 F 4,6-Dimethyldibenzothiophene Cc3cccc2sc1ccc(C)cc1c23 Tox21_303847 -NCGC00260119-01 196712195 tox21-ror-cho-viability-p1 set2 -2.2 62.0642463938 -56.7319846366 0.410212189 -56.3217724476 2.0437424601 0.9492733153 0.0000091102 -0.35793808 -0.6395363 0.96877799 -2.01887853 -0.87348817 2.1695724 0.05189087 3.22986868 0.2030642 0.26368318 2.83548071 0 -10.91138708 -13.89334517 -42.66800943 1.195E-9 2.6729999999E-9 5.976E-9 1.336E-8 2.988E-8 6.682E-8 1.494E-7 3.341E-7 7.4709999999E-7 0.0000016699999999 0.000003735 0.000008352 0.000018679999999 0.000041759999999 0.000093379999999 68391-01-5 8755 144209768 D Quaternary ammonium compounds, benzyl-C12-18-alkyldimethyl, chlorides [Cl-].C[N+](C)(Cc1ccccc1)CCCCCCCCCCCCCC Tox21_202570 -NCGC00260525-01 196712214 tox21-ror-cho-viability-p1 set2 4 -0.34829082 -1.38115206 -3.71314194 -1.33613733 -6.36820988 -2.09621068 0.19480826 -5.38405781 -3.06763562 -6.1632208 -3.93970271 -0.96564866 -4.8976392 -5.53783357 -4.31273369 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.00001844 0.000041219999999 0.00009218 65055-17-6 2736548 144210177 F F 3-Chloro-4-fluorobenzoyl chloride Fc1ccc(cc1Cl)C(Cl)=O Tox21_202979 -NCGC00025345-02 196713023 tox21-ror-cho-viability-p1 set2 4 -3.71863438 -1.66479997 -3.96098635 -3.60427578 -0.28218919 1.37178582 0.25275951 0.12327287 0.12431071 0.33311739 0.62011119 0.27466863 0.81771906 0.56478533 0.4050164 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 82248-59-7 54840 170465067 A Atomoxetine hydrochloride Cl.Cc2ccccc2O[C@H](CCNC)c1ccccc1 Tox21_110292_1 -NCGC00179310-03 196713027 tox21-ror-cho-viability-p1 set2 4 -5.89225036 -6.66435936 -4.24068228 -6.57559601 -5.08117181 -5.20147265 -3.62648401 -0.82313137 -2.41866428 -3.24279492 -2.22950769 -4.1052093 -0.04838862 0.19404647 -3.44595632 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5575-21-3 21743 170466431 Z Cefalonium NC(=O)c4cc[n+](CC=2CS[C@@H]3[C@H](NC(=O)Cc1cccs1)C(=O)N3C=2C([O-])=O)cc4 Tox21_110548_1 -NCGC00016794-13 196713036 tox21-ror-cho-viability-p1 set2 4 2.38831895 1.20891475 -0.50974993 1.43115005 2.9270663 3.39848122 1.60458621 -0.30085972 0.20177177 -0.07622359 2.8055599 1.23325175 -1.41090081 -1.20597911 0.86462637 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 25812-30-0 3463 170464998 A Gemfibrozil O=C(O)C(C)(C)CCCOc1cc(C)ccc1C Tox21_110613_1 -NCGC00256823-01 196726770 tox21-ror-cho-viability-p1 set3 4 4.29971004 3.3893988 2.40998094 0.12153033 2.78541302 1.24135777 1.77575895 1.92059286 -0.17539407 3.21880417 -0.50764376 -0.78182235 2.63676355 -1.02855481 1.01615972 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-05-9 7632 144212948 A A 2-Methyl-4-phenylbutan-2-ol CC(C)(O)CCc1ccccc1 Tox21_302631 -NCGC00258420-01 196730017 tox21-ror-cho-viability-p1 set3 4 -2.68734846 -5.67012306 0.33909463 0.20427946 -2.63585605 -2.5939839 -1.21672812 -3.22986816 -3.81372872 -3.76001927 -7.3699016 -3.65975075 -8.53243745 -3.67315394 0.09985024 1.177E-9 2.6319999999E-9 5.8849999999E-9 1.316E-8 2.942E-8 6.579E-8 1.471E-7 3.29E-7 7.356E-7 0.000001645 0.0000036779999999 0.000008224 0.00001839 0.000041119999999 0.00009195 1552-42-7 73773 144208064 A A Crystal Violet lactone CN(C)c1ccc(cc1)C3(OC(=O)c2cc(ccc23)N(C)C)c4ccc(cc4)N(C)C Tox21_200866 -NCGC00258671-01 196730423 tox21-ror-cho-viability-p1 set3 4 -4.20570322 -0.15243451 -0.45224848 0.92672512 -1.56701147 -0.0087694 0.69741833 0.08165801 -0.08477599 3.51974038 2.01062776 3.91601056 -0.79946275 -0.0193375 5.68568917 1.21E-9 2.707E-9 6.052E-9 1.353E-8 3.0259999999E-8 6.767E-8 1.5129999999E-7 3.3829999999E-7 7.5649999999E-7 0.0000016919999999 0.0000037829999999 0.000008458 0.00001891 0.000042289999999 0.000094569999999 589-38-8 11509 144208317 FNS 3-Hexanone CCC(=O)CCC Tox21_201119 -NCGC00256874-01 196727187 tox21-ror-cho-viability-p1 set3 4 -0.68952389 -0.01614581 1.51321177 1.20527391 1.5107738 2.28692691 0.56638906 0.48863043 2.39415828 -8.44183892 -0.08630334 2.33458813 3.10024119 -1.14454286 0.77377658 1.912E-9 4.276E-9 9.5619999999E-9 2.138E-8 4.7809999999E-8 1.0689999999E-7 2.3899999999E-7 5.3449999999E-7 0.000001195 0.000002673 0.000005976 0.000013359999999 0.00002988 0.00006681 0.0001494 NOCAS_47708 10470544 144212848 F F Igepal CO-890 CC(C)CCCCCCc1ccc(OCCOCCO)cc1 Tox21_302531 -NCGC00256434-01 196727180 tox21-ror-cho-viability-p1 set3 4 2.40727403 1.48853747 -1.82499967 2.27157118 -1.61005193 0.26483988 0.09510628 5.37769539 1.43465914 3.96396758 0.2953992 -0.23370483 3.36207463 0.19695763 5.0355267 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-93-0 7966 144213120 F F Cyclohexanol OC1CCCCC1 Tox21_302803 -NCGC00256685-01 196727182 tox21-ror-cho-viability-p1 set3 4 0.019331182 14.7098477479 -17.2098477479 -2.5 4.9549173134 0.5906831529 0.1035735178 -14.58508159 -9.88871083 -24.34153979 -19.77982436 -0.27703326 0 0 0 0 0 -0.88713289 -17.11848438 -5.24329545 0.53458864 -4.99215398 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 143-13-5 8918 144212853 A Ac Nonyl acetate CC(=O)OCCCCCCCCC Tox21_302536 -NCGC00256328-01 196727589 tox21-ror-cho-viability-p1 set3 4 -5.64163807 -2.70116472 -6.19407328 -4.57728316 -5.31115629 -2.32772929 -2.00391697 -4.56421168 -5.13123026 -4.3233856 -5.05073597 1.97783199 0.3151289 -4.47952967 -1.11920759 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-88-1 60962 144213253 Z F Phenylhydrazine hydrochloride Cl.NNc1ccccc1 Tox21_302936 -NCGC00257299-01 196727595 tox21-ror-cho-viability-p1 set3 4 -0.32999943 -10.04004713 0 -4.23345857 -5.2250697 -0.87413638 -4.2609929 -6.94945321 -10.65825029 -8.28926658 -6.77250802 -2.44591771 -12.00901626 0.8186843 -0.42968758 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24468-13-1 62783 144213820 F F Carbonochloridic acid, 2-ethylhexyl ester O=C(Cl)OCC(CCCC)CC Tox21_303512 -NCGC00256964-01 196727597 tox21-ror-cho-viability-p1 set3 4 -2.68577223 -4.43811115 -3.9604759 2.69135511 0.40212327 -1.85943559 -1.28438958 -5.96151579 -5.0856421 1.85888193 -1.03855671 -4.87402455 -2.34536104 -2.25440979 -2.44995388 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2814-20-2 17777 144213614 A A 2-Isopropyl-6-methyl-4-pyrimidone O=C1C=C(C)NC(=N1)C(C)C Tox21_303297 -NCGC00256934-01 196727600 tox21-ror-cho-viability-p1 set3 4 1.36686735 -4.63301999 -11.48938007 -0.84830146 1.78710987 -3.21813818 0.09182674 -6.39571332 -0.28332174 -1.24355226 2.71736107 -5.58373941 -2.87311839 -3.40964686 0.5393641 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5419-55-6 21531 144213446 F F Triisopropyl orthoborate CC(C)OB(OC(C)C)OC(C)C Tox21_303129 -NCGC00256405-01 196727607 tox21-ror-cho-viability-p1 set3 4 22.0047118508 9.2814741161 0.2185258839 9.5 2.9522712143 0.4356004457 0.2578187442 0.17456937 -1.90122843 -1.86607346 -0.33474069 -0.13100767 0.46359964 0.36067239 8.22498614 -1.65529511 0 0 0.9456443 2.99569377 8.04700429 2.25761533 1.085E-9 2.427E-9 5.427E-9 1.213E-8 2.713E-8 6.067E-8 1.3569999999E-7 3.034E-7 6.7839999999E-7 0.0000015169999999 0.000003392 0.0000075839999999 0.00001696 0.00003792 0.00008479 124-22-1 13583 144213257 A Ac 1-Dodecanamine CCCCCCCCCCCCN Tox21_302940 -NCGC00255921-01 196728016 tox21-ror-cho-viability-p1 set3 4 3.47715275 -3.64744599 -3.2442211 1.96913574 0.01309687 -1.02990486 3.62831464 3.48392814 -1.59775166 4.53608317 4.68633316 3.40441277 1.07047277 5.05144586 -3.37323489 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 621-76-1 69311 144212416 F Fns Tripropyl orthoformate CCCOC(OCCC)OCCC Tox21_302099 -NCGC00255660-01 196728423 tox21-ror-cho-viability-p1 set3 4 2.1689942904 -9.689102204 2 -7.689102204 4.9549173134 0.5094392338 0.1701144803 2.59560616 5.38627028 6.95142017 4.78363846 -1.79475397 -6.46642576 -5.55273468 9.47083655 2.81477087 1.22360768 -9.8363228 -3.56523944 -4.9259846 -10.15758517 -9.27537291 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5437-45-6 62576 144212409 F B Benzyl bromoacetate BrCC(=O)OCc1ccccc1 Tox21_302092 -NCGC00255900-01 196728427 tox21-ror-cho-viability-p1 set3 4 4.96904662 8.57284669 9.44930262 15.31528041 17.44008999 11.33868702 1.10775458 12.69741529 -3.26994869 -8.54073974 -0.03826491 15.31830338 13.03969716 14.9206698 10.79107705 1.216E-9 2.72E-9 6.0809999999E-9 1.36E-8 3.041E-8 6.7989999999E-8 1.5199999999E-7 3.4E-7 7.6019999999E-7 0.0000016999999999 0.000003801 0.000008499 0.000018999999999 0.000042499999999 0.00009502 15046-75-0 23681382 144212214 A Fc Sodium 2-methylbenzenesulfonate [Na+].Cc1ccccc1S(=O)([O-])=O Tox21_301897 -NCGC00257218-01 196708314 tox21-ror-cho-viability-p1 set1 4 1.34886405 -0.51192327 0.54167777 -0.25018078 1.63578822 -0.75684273 -2.31729488 -0.4615467 -2.37294739 1.65099274 -2.40784603 -4.2915462 -4.08115076 1.91713423 1.34156521 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 328-84-7 9481 144213406 F Fns 1,2-Dichloro-4-(trifluoromethyl)benzene Clc1ccc(cc1Cl)C(F)(F)F Tox21_303089 -NCGC00257490-01 196708311 tox21-ror-cho-viability-p1 set1 4 2.13205833 0.2937191 0.23462501 0.18431183 2.43094215 0.49956132 6.79944589 -0.41752069 2.5314403 0.42991752 -0.72121196 0.88158229 4.04495428 -0.19223848 6.1898674 1.094E-9 2.447E-9 5.471E-9 1.223E-8 2.7349999999E-8 6.117E-8 1.368E-7 3.058E-7 6.8389999999E-7 0.0000015289999999 0.000003419 0.000007646 0.0000171 0.00003823 0.00008548 181274-17-9 12056760 144213803 A A Flucarbazone-sodium [Na+].COC2=NN(C(=O)[N-]S(=O)(=O)c1ccccc1OC(F)(F)F)C(=O)N2C Tox21_303495 -NCGC00091759-02 196708315 tox21-ror-cho-viability-p1 set1 4 1.60917751 1.34154591 0.07016336 0.02801634 1.87814282 0.06725853 6.16587514 8.12358915 3.85770517 -1.55722943 2.47933995 -0.29446817 0.04301999 0.03932335 0.01093235 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-18-0 8330 144213974 Ac 2,3,5,6-Tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl Tox21_400013 -NCGC00259794-01 196708706 tox21-ror-cho-viability-p1 set2 4 2.80821041 -1.10741822 -0.55342173 -1.93100903 0.23155954 0.40674746 -0.72140745 -0.3929935 -0.21395934 -1.12131664 -0.0307743 -0.44945259 2.64089186 -1.91502267 4.25987482 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.481E-7 3.311E-7 7.4029999999E-7 0.000001655 0.000003701 0.0000082769999999 0.00001851 0.00004138 0.00009253 110-63-4 8064 144209443 A A 1,4-Butanediol OCCCCO Tox21_202245 -NCGC00091586-02 196708718 tox21-ror-cho-viability-p1 set2 4 0.0028994038 14.162439536 -15.528160104 -1.365720568 0.7 0.7455039847 0.0273599781 -12.94013342 -4.13557363 -8.65771761 -7.6706016 -2.5797959 -2.54075858 -0.76636471 -0.30476714 -2.0606981 -2.3097809 -1.91394795 -0.7850026 -1.48963527 -1.78783363 -17.77150743 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00090874-04 196709123 tox21-ror-cho-viability-p1 set2 4 31.0121236216 -12.370610324 1.5 -10.870610324 0.7 0.7244273296 0.028648952 6.23522572 -0.12521084 1.51287362 0.37269423 1.01478675 0.69855379 2.36713366 0.39702752 -0.71498456 -0.56050542 0.6825221 -3.42701025 -1.07805035 -6.00679929 -7.39217527 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00090701-06 196709122 tox21-ror-cho-viability-p1 set2 4 3.03211371 -7.96148696 2.85393943 2.53883515 -0.76542878 2.36789091 2.31730784 0.30750894 -0.28753942 -2.14111257 0.00941754 0.64997639 0.72388074 0.46245068 0.36647108 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00259725-01 196709132 tox21-ror-cho-viability-p1 set2 4 -3.91157167 -5.72224774 -3.09365243 -5.37849455 -2.02382792 -2.78769965 0.61592105 1.40063538 -1.55453002 0.2723208 -1.13782683 -2.41825979 -1.73920434 2.09372504 -2.11389485 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004127 0.00009229 132-98-9 23676814 144209374 A B Penicillin VK [K+].O=C([O-])[C@@H]2N3C(=O)[C@@H](NC(=O)COc1ccccc1)[C@H]3SC2(C)C Tox21_202176 -NCGC00259945-01 196709134 tox21-ror-cho-viability-p1 set2 4 0.0043189119 6.795266384 -6.795266384 0 4.9549173134 0.3891299335 0.3006348509 -1.28846486 -12.74605532 1.29906641 -2.4625162 2.32003933 1.10647756 -1.00067224 0.16835836 0.30553863 1.03520965 3.09515156 1.49842718 -1.09017794 -4.08030266 -8.22569863 1.1779999999E-9 2.633E-9 5.8879999999E-9 1.3169999999E-8 2.944E-8 6.583E-8 1.472E-7 3.291E-7 7.3599999999E-7 0.0000016459999999 0.00000368 0.000008228 0.000018399999999 0.000041139999999 0.000092 116-29-0 8305 144209594 A F Tetradifon Clc1cc(c(Cl)cc1Cl)S(=O)(=O)c2ccc(Cl)cc2 Tox21_202396 -NCGC00259826-01 196709136 tox21-ror-cho-viability-p1 set2 4 0.8437071 0.49767308 2.73807599 0.78325468 2.8450612 4.45498697 2.58949911 2.72028524 1.54519292 -0.64517271 3.82727359 0.54976558 4.14917041 -0.63671177 2.33755882 1.2089999999E-9 2.7039999999E-9 6.047E-9 1.352E-8 3.024E-8 6.761E-8 1.512E-7 3.381E-7 7.5589999999E-7 0.00000169 0.00000378 0.000008451 0.0000189 0.00004226 0.000094489999999 101-84-8 7583 144209475 A A Diphenyl oxide c1ccccc1Oc2ccccc2 Tox21_202277 -NCGC00167448-02 196704164 tox21-ror-cho-viability-p1 set1 4 -0.71524835 -1.28279631 2.39644117 0.55160482 0.99915661 -1.72340407 0.81855656 -3.40480098 1.47568854 -0.09493943 1.78442295 3.17315445 -9.38470306 1.80802511 -0.20291602 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 41826-92-0 5536 170465772 A Trepibutone CCOc1cc(OCC)c(cc1OCC)C(=O)CCC(=O)O Tox21_112452_1 -NCGC00163815-04 196703764 tox21-ror-cho-viability-p1 set1 -2.1 65.1933385464 -97.7352721544 -3.24864352 -100.9839156744 1.8851180601 0.9212553659 0.0000950918 -2.05545881 -0.84917939 -0.65978405 -0.19796106 -3.36032624 -2.59820397 -9.23347884 -1.55780506 0.98346878 -0.80210279 -1.9507029 -13.46277333 -23.29158097 -23.5414461 -76.50296642 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00160479-02 196704156 tox21-ror-cho-viability-p1 set1 4 -1.76891027 0.51486662 1.08536639 -2.38359512 -4.01433596 -6.56300333 1.16346874 -2.59153788 -1.81814997 1.01972079 -0.51634687 -5.89861419 -0.68662187 -2.25856098 0.372933 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33414-36-7 219081 170466313 Ac Ftorpropazine OCCN1CCN(CC1)CCC(=O)N2c4ccccc4Sc3ccc(cc23)C(F)(F)F Tox21_111841_1 -NCGC00091009-05 196721907 tox21-ror-cho-viability-p1 set3 4 -10.627578 -3.94141554 -2.8444705 -0.66972529 -9.51558754 -2.14490396 -2.38144786 -0.20595893 -6.12463123 -9.02680941 -0.46910045 -12.71071267 -6.26456412 -4.17154045 -7.725598 1.079E-9 2.4139999999E-9 5.3969999999E-9 1.207E-8 2.699E-8 6.034E-8 1.349E-7 3.017E-7 6.747E-7 0.0000015089999999 0.000003373 0.000007543 0.00001687 0.000037709999999 0.00008433 58-18-4 6010 144214019 A A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_400058 -NCGC00259337-01 196721123 tox21-ror-cho-viability-p1 set3 4 30.3265518896 11.07362992 -5.07362992 6 4.9549173134 0.7108238203 0.0337638513 -6.92656735 -6.12042598 -4.01588641 -2.61087321 -10.8946916 -8.79011113 -5.00519327 -3.91265856 -4.17244829 -1.92100904 -3.11960692 -5.02476654 -4.66880971 4.06696149 6.13528673 1.1699999999E-9 2.6159999999E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.539E-8 1.462E-7 3.269E-7 7.311E-7 0.000001635 0.0000036549999999 0.000008173 0.00001828 0.000040869999999 0.00009138 4553-62-2 20686 144208986 A A 2-Methylpentanedinitrile CC(CCC#N)C#N Tox21_201788 -NCGC00259685-01 196721503 tox21-ror-cho-viability-p1 set3 4 -8.22261114 1.88963547 -5.82221879 -1.24183984 -6.55115509 -7.66336677 -5.36529109 -1.60395793 -2.12166723 -3.93151387 -8.03476417 -11.37132956 -8.52247057 2.8044262 -0.40536016 1.187E-9 2.653E-9 5.9329999999E-9 1.327E-8 2.966E-8 6.633E-8 1.4829999999E-7 3.317E-7 7.416E-7 0.0000016579999999 0.000003708 0.000008291 0.00001854 0.00004146 0.0000927 140-08-9 8783 144209334 D Tris(2-chloroethyl) phosphite ClCCOP(OCCCl)OCCCl Tox21_202136 -NCGC00259633-01 196721512 tox21-ror-cho-viability-p1 set3 4 37.2020253196 11.0265936279 -4.0265936279 7 1.826479391 0.7418352099 0.0224459546 -7.10549469 -5.40268256 -5.78768926 -1.63344154 -3.78778646 -4.89674302 -2.19392565 -6.36186351 -5.44369667 -1.8712963 -2.1856621 -3.16687416 -1.93865492 0.8339723 6.48984997 1.1449999999E-9 2.56E-9 5.724E-9 1.28E-8 2.8619999999E-8 6.399E-8 1.431E-7 3.2E-7 7.155E-7 0.0000016 0.000003577 0.0000079989999999 0.00001789 0.000039999999999 0.00008943 78-67-1 6547 144209282 A F 2,2'-Azobis(2-methylpropanenitrile) N#CC(C)(C)/N=N/C(C)(C)C#N Tox21_202084 -NCGC00258985-01 196721915 tox21-ror-cho-viability-p1 set3 4 54.371879846 14.109939816 -3.109939816 11 2.8472712143 0.8010153232 0.0079488893 -5.50828318 -3.84030656 -0.26503202 -0.63851113 -3.97245573 -5.08882268 -4.18243253 -4.65062766 -2.95452831 -1.04205763 -4.00291203 -3.77619693 -2.64798156 1.3618102 8.28391645 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.000003681 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009203 20917-49-1 30360 144208632 A A Nitrosoheptamethyleneimine O=NN1CCCCCCC1 Tox21_201434 -NCGC00259471-01 196721916 tox21-ror-cho-viability-p1 set3 4 34.2364547331 14.883376012 -10.883376012 4 4.9549173134 0.6259770059 0.0792582356 -15.98393701 -9.71421764 -8.87898158 -3.47502824 -14.10006754 -11.32678599 -16.56948001 -11.74394032 -5.46019375 -8.40150638 -13.27650077 -12.63499094 -11.75934142 -0.09128375 3.85826395 1.1759999999E-9 2.63E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.576E-8 1.4699999999E-7 3.288E-7 7.352E-7 0.0000016439999999 0.000003676 0.00000822 0.000018379999999 0.0000411 0.0000919 51580-86-0 23667638 144209120 Sodium dichloro-s-triazinetrione dihydrate [Na+].O.O.ClN1C([O-])=NC(=O)N(Cl)C1=O Tox21_201922 -NCGC00259854-01 196721923 tox21-ror-cho-viability-p1 set3 4 27.1949826514 10.158161032 -4.158161032 6 4.9549173134 0.8282858982 0.0042085477 -2.39870503 -2.86946191 -7.63180086 -2.88092872 -6.25778222 -4.81779623 -4.77475493 -5.7437264 -5.25937221 -1.87965397 -3.5356608 -3.26301203 -3.09368963 5.73923972 5.50954887 1.1759999999E-9 2.631E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.288E-7 7.3529999999E-7 0.0000016439999999 0.000003676 0.000008221 0.000018379999999 0.0000411 0.000091909999999 95-48-7 335 144209503 A A o-Cresol Cc1ccccc1O Tox21_202305 -NCGC00066947-05 196722307 tox21-ror-cho-viability-p1 set3 1.4 0.0015355304 21.035135288 -21.535135288 -0.5 4.9549173134 0.7854444032 0.0107276931 -17.11261274 0 -3.50858525 -0.69351275 0 -0.71871824 -3.80593917 -1.28444972 1.62021273 1.81039257 -0.21834268 0.52350144 -2.84378926 -2.17900535 4.65387496 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00013289-09 196717803 tox21-ror-cho-viability-p1 set2 4 -2.74032032 -0.65306591 -6.08195051 -5.69966747 -2.71719093 -3.14851543 -2.61576326 -2.54244051 -2.15723436 -0.19535915 -1.83705813 -2.49796938 -0.26006964 0.50778238 -1.34007515 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 511-45-5 4904 170465865 A Pridinol OC(CCN1CCCCC1)(c2ccccc2)c3ccccc3 Tox21_110022_1 -NCGC00178145-03 196717795 tox21-ror-cho-viability-p1 set2 4 -0.88232277 0.56674644 -3.46061435 -0.3871598 -0.68393683 -3.56582406 -3.18317137 -2.8076953 -3.60828758 -1.36850336 2.0871417 0.19993841 -2.09741643 1.50708228 0.87466087 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63-56-9 6136 170465519 A Thonzylamine hydrochloride Cl.COc1ccc(cc1)CN(CCN(C)C)c2ncccn2 Tox21_111387_1 -NCGC00166266-03 196717797 tox21-ror-cho-viability-p1 set2 4 -0.25259946 0.78709628 3.41308067 2.85328088 7.09031213 5.75219672 8.09187747 8.00455291 -0.28418619 0.87783111 1.85622805 0.58914102 0.65943805 -0.50871449 0.94203969 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3753-81-9 68610 170466646 A 1,3-Bis(4-carboxyphenoxy)propane O=C(O)c1ccc(cc1)OCCCOc2ccc(cc2)C(=O)O Tox21_112384_1 -NCGC00013095-10 196717801 tox21-ror-cho-viability-p1 set2 4 -1.27104734 -3.36907681 -1.16215769 4.47760829 -0.05285297 3.35457581 3.22206772 2.08869513 4.45158999 0.20950284 2.37806824 0.00734366 0.15740046 -1.20342538 3.82369076 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 106-24-1 637566 170465692 F Geraniol C\C(C)=C\CCC(\C)=C\CO Tox21_110010_1 -NCGC00257217-01 196718216 tox21-ror-cho-viability-p1 set2 4 -4.34283614 0.41210374 0.55250943 1.45846061 1.62186526 1.94840844 -3.49403729 -0.40557902 0.10252175 1.49641295 -3.03279868 -4.18591119 1.03058055 0.09359269 -0.88904975 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-14-9 8419 144213391 A A Veratraldehyde COc1cc(ccc1OC)C=O Tox21_303074 -NCGC00254661-01 196714280 tox21-ror-cho-viability-p1 set2 4 2.60847303 3.0286157 2.17491378 2.48260413 -0.02468361 0.39958306 -1.10306827 1.00143241 3.19901284 1.77218914 0.9458482 -1.03943904 0.69051342 0.51319169 0.58350992 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1009-93-4 66094 144211074 Fns Fns 2,2,4,4,6,6-Hexamethyl-1,3,5,2,4,6-triazatrisilinane C[Si]1(C)N[Si](C)(C)N[Si](C)(C)N1 Tox21_300757 -NCGC00016602-04 196713461 tox21-ror-cho-viability-p1 set2 4 -0.82619408 -0.40760897 -1.41084806 -1.45267979 -0.42430096 -1.60968022 -0.49896451 0.04147618 -2.20722801 -4.4460421 -2.98656129 -1.77249568 -2.12663099 -3.73371333 -1.36957119 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2062-84-2 16363 170466409 B Benperidol Fc1ccc(cc1)C(=O)CCCN2CCC(CC2)N3c4ccccc4NC3=O Tox21_110517_1 -NCGC00254031-01 196713858 tox21-ror-cho-viability-p1 set2 4 8.6349217992 -8.835883412 -1.5 -10.335883412 3.9294729863 0.684523093 0.0557284399 -1.5594589 -0.88842213 -0.25158228 -0.71432914 0.04117419 -0.09921917 -4.16857113 -1.30384261 -5.77067628 1.48375804 -1.05782364 -5.373347 -13.19656951 -7.09346356 -4.36168087 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 331623-06-4 60196401 144210546 A A MK-547 [Na+].[Na+].[O-]C(=O)[C@@H](C)Cc1cc(OC)ccc1[C@@H]5c2nc(CCCC)ccc2[C@H](c3ccc4OCOc4c3)[C@H]5C([O-])=O Tox21_300226 -NCGC00254037-01 196714279 tox21-ror-cho-viability-p1 set2 -2.1 30.6378586933 -60.4402502037 0.0872747349 -60.3529754688 3.2474983358 0.9904290975 6E-10 -0.01441788 0.87822251 0.31290123 0.74585603 -2.86552185 1.25956987 -3.75453996 0.93729056 0.30494488 1.05630831 0.6554463 -1.09611654 -11.31393703 -43.44169511 -62.86768278 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-31-9 785 144210335 A A Hydroquinone Oc1ccc(O)cc1 Tox21_300015 -NCGC00254322-01 196714289 tox21-ror-cho-viability-p1 set2 4 -4.93874765 -7.63761727 -4.44136691 -4.21033142 -5.45978022 -5.60751259 -2.38345108 -0.95390836 -2.73054475 -0.61567858 -2.42174111 -2.8567461 -2.53237461 -4.57447685 -0.88883324 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-72-1 8209 144210856 A A 1-Tetradecanol CCCCCCCCCCCCCCO Tox21_300538 -NCGC00254137-01 196714687 tox21-ror-cho-viability-p1 set2 4 -0.05018582 0.77455246 3.92088399 0.2276363 1.29782649 3.92013469 3.41328312 0.91832133 0.14164325 0.31620729 0.91330116 2.69737216 6.023747 3.60135566 1.87420263 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7632-00-0 23668193 144210345 Sodium nitrite [Na+].[O-]N=O Tox21_300025 -NCGC00254940-01 196714691 tox21-ror-cho-viability-p1 set2 -2.2 54.4826732819 -51.7265929348 -1.598404504 -53.3249974388 2.0478617061 0.9003834705 0.0003160619 -0.7479976 1.98837614 4.82874395 1.11834243 -0.18000672 0.03913066 -10.70101695 -1.12427648 -1.71780804 -5.7703821 -1.63379506 -5.41521656 -7.31498426 -18.37546528 -41.15530109 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 119168-77-3 86354 144211355 A A Tebufenpyrad Clc2c(C(=O)NCc1ccc(cc1)C(C)(C)C)n(C)nc2CC Tox21_301038 -NCGC00254456-01 196714702 tox21-ror-cho-viability-p1 set2 4 0.08736686 3.3437513 0.78953451 1.13339959 3.26520743 0.34478019 -0.06751191 3.33054261 3.41218813 1.51762885 -1.71063886 2.45738089 4.95690088 3.69863701 1.00436238 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-11-4 5281 144210879 A Z Octadecanoic acid O=C(O)CCCCCCCCCCCCCCCCC Tox21_300562 -NCGC00091231-04 196713053 tox21-ror-cho-viability-p1 set2 4 2.4244234 2.30526549 -0.49671297 1.21538338 0.29262484 0.28302523 0.52257237 -0.93289203 2.56596838 -0.55615612 -0.95574269 2.25899405 1.68634762 -0.21578661 1.34709181 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56-54-2 5953 170465031 A Quinidine COc1cc2c(cc1)nccc2[C@H](O)[C@H]4CC3CCN4C[C@@H]3C=C Tox21_111720_1 -NCGC00181154-03 196712654 tox21-ror-cho-viability-p1 set2 4 -6.25324926 -5.35643839 -4.19132035 -5.12175383 -5.22939033 -4.54312037 -4.18724636 -2.91902779 -1.71483806 -0.878966 -1.37262823 -0.77411766 -0.23597019 0.10741904 0.68275111 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98-72-6 66826 170465716 A Nitarsone O=[N+]([O-])c1ccc(cc1)[As](O)(O)=O Tox21_112758_1 -NCGC00061506-03 196713049 tox21-ror-cho-viability-p1 set2 4 -0.34101534 0.86715005 0.64265497 0.50112705 2.87771819 -1.12958559 -0.30562978 2.5668759 -1.33161261 3.18738068 2.71939026 2.08533361 0.34672139 -0.63918018 0.45626339 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 29876-14-0 65768 170466343 A Nicotredole O=C(NCCc2cnc1ccccc12)c3cccnc3 Tox21_110977_1 -NCGC00095124-08 196713051 tox21-ror-cho-viability-p1 set2 4 1.07190104 0.86905596 2.3377957 -0.39858707 1.58263054 -0.29295377 -0.34716613 -1.0252885 2.01877809 1.18850505 -1.09015952 1.34032248 2.52658171 4.06372247 2.39335561 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122320-73-4 77999 170465417 A Rosiglitazone CN(CCOc2ccc(CC1SC(=O)NC1=O)cc2)c3ccccn3 Tox21_111434_1 -NCGC00257591-01 196729683 tox21-ror-cho-viability-p1 set3 4 4.86565119 -9.7677475879 -1 -10.7677475879 4.9549173134 0.4293665752 0.2608957851 1.5038106 -0.34844051 -0.9355494 -4.24774185 1.61562994 -1.49066514 -1.93514861 -5.1557369 0 -1.73885417 0 -22.72312299 -5.25564861 -5.11508583 0.15313834 1.182E-9 2.6429999999E-9 5.91E-9 1.322E-8 2.955E-8 6.608E-8 1.4779999999E-7 3.304E-7 7.388E-7 0.0000016519999999 0.0000036939999999 0.0000082599999999 0.000018469999999 0.000041299999999 0.00009235 1647-16-1 15439 144207235 FNS 1,9-Decadiene C=CCCCCCCC=C Tox21_200037 -NCGC00257700-01 196729264 tox21-ror-cho-viability-p1 set3 4 -1.06240606 -0.25380295 -1.0045241 0.75561332 -0.93666134 0.82982342 -0.9967221 1.05670559 -0.47110198 5.49309777 1.98381086 1.86827545 -0.3175328 -1.20026166 -0.78659856 1.1839999999E-9 2.648E-9 5.9199999999E-9 1.324E-8 2.96E-8 6.619E-8 1.4799999999E-7 3.309E-7 7.4E-7 0.000001655 0.0000037 0.0000082739999999 0.0000185 0.00004137 0.0000925 105-05-5 7734 144207344 AC Fc 1,4-Diethylbenzene CCc1ccc(CC)cc1 Tox21_200146 -NCGC00257899-01 196729268 tox21-ror-cho-viability-p1 set3 4 16.7870606966 -12.5689187999 -1 -13.5689187999 2.7202212143 0.7716785762 0.0184855746 -1.81314497 0.61023571 -0.22548702 -0.33562861 -5.26501702 0.17343541 -4.25564857 0 -0.88663739 0 -1.2635137 -0.26218305 -10.91933864 -11.724099 1.1330181 1.2709999999E-9 2.843E-9 6.3559999999E-9 1.421E-8 3.178E-8 7.1059999999E-8 1.589E-7 3.553E-7 7.945E-7 0.0000017769999999 0.000003973 0.000008883 0.00001986 0.00004441 0.00009931 62-53-3 6115 144207543 A A Aniline Nc1ccccc1 Tox21_200345 -NCGC00258151-01 196729671 tox21-ror-cho-viability-p1 set3 4 1.4653898 5.18333843 13.47557473 0.40485403 0.51249628 0.51211119 3.24365978 2.87268514 3.54815038 0.15842541 -0.48548589 0.99806891 0.36918491 -0.85965667 0.27455745 1.182E-9 2.644E-9 5.9109999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.305E-7 7.3889999999E-7 0.0000016519999999 0.0000036949999999 0.000008261 0.000018469999999 0.00004131 0.000092359999999 258273-75-5 12991988 144207795 A A Butyltrimethylammonium bis(trifluoromethylsulfonyl)imide FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.CCCC[N+](C)(C)C Tox21_200597 -NCGC00258215-01 196729692 tox21-ror-cho-viability-p1 set3 4 0.8599808611 -9.115281788 -0.5 -9.615281788 4.4494702849 0.5058647413 0.1733417335 -2.31713472 -1.18137593 -0.87509549 0.48299047 1.02419122 -0.95898404 0.66799866 -1.35035446 -1.12921213 -23.42940149 -6.97966255 -5.53044021 -7.46196173 -8.14386593 -5.87318493 1.1759999999E-9 2.631E-9 5.882E-9 1.315E-8 2.9409999999E-8 6.576E-8 1.471E-7 3.288E-7 7.3529999999E-7 0.0000016439999999 0.000003676 0.00000822 0.000018379999999 0.0000411 0.000091909999999 85-42-7 85689 144207859 A A Hexahydrophthalic anhydride O=C1OC(=O)C2CCCCC12 Tox21_200661 -NCGC00258166-01 196730089 tox21-ror-cho-viability-p1 set3 4 4.22606818 4.58071696 2.82088821 4.43966251 5.81706716 -1.19404642 -2.5335735 1.17129995 -1.4097709 -1.20526337 -1.37006819 -1.09994492 3.16634693 1.72169658 1.63432352 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003707 0.0000082899999999 0.00001854 0.00004145 0.00009268 6220-15-1 2734172 144207810 A A 1-Hexylpyridinium chloride [Cl-].CCCCCC[n+]1ccccc1 Tox21_200612 -NCGC00258747-01 196730097 tox21-ror-cho-viability-p1 set3 4 -2.24670162 3.97180097 1.47322965 2.73665643 1.46494935 -1.51011126 5.14499832 0.27781751 3.34201245 0.79281918 1.74588266 1.18236648 1.46264688 1.91790392 -1.14540018 1.172E-9 2.621E-9 5.8599999999E-9 1.31E-8 2.9299999999E-8 6.551E-8 1.465E-7 3.276E-7 7.325E-7 0.0000016379999999 0.000003662 0.0000081889999999 0.00001831 0.00004095 0.00009156 83-66-9 6753 144208393 A Ac Musk ambrette COc1c(cc(c(C)c1[N+]([O-])=O)[N+]([O-])=O)C(C)(C)C Tox21_201195 -NCGC00256092-01 196728513 tox21-ror-cho-viability-p1 set3 4 0 6.17289304 1.79687599 2.63733228 -1.42815734 -1.20254742 -0.87489298 6.99760025 3.26664506 5.00645882 3.4635323 -2.81275911 -2.53437924 -2.03722506 3.14742414 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55066-48-3 108312 144211577 A A 3-Methyl-5-phenylpentan-1-ol CC(CCc1ccccc1)CCO Tox21_301260 -NCGC00090910-03 196728507 tox21-ror-cho-viability-p1 set3 4 0.12069595 -3.77182923 -0.71454963 -0.63311712 9.98920757 3.77501881 6.74261112 6.4400883 -0.17410731 -0.23220267 -1.78569308 3.24829024 -2.77786023 -0.09025856 -2.11112059 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 129-00-0 31423 144214024 A A Pyrene c1ccc2ccc3cccc4ccc1c2c34 Tox21_400063 -NCGC00091088-05 196728510 tox21-ror-cho-viability-p1 set3 4 0.0015355304 12.8032836 -10.8032836 2 4.9549173134 0.3344163545 0.3360616889 -8.169403 1.32387561 -2.01518625 0.83562472 5.66309493 -0.77936338 8.34914758 7.64102882 1.21355042 4.56984644 3.52543934 -2.33029492 -2.67952764 -2.81839366 1.98273809 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00255367-01 196728511 tox21-ror-cho-viability-p1 set3 -1.1 3.0637858693 -100.4103664064 -0.5410424465 -100.9514088529 4.9549173134 0.995423087 0 -4.99211004 2.61600225 -4.15474446 -1.5004802 -0.22739069 2.46635499 3.70392528 -5.35564815 -2.71553663 -0.42544231 -73.3997586 -99.14692931 -104.50456403 -99.74837697 -99.32446388 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 64359-81-5 91688 144212726 A D 4,5-Dichloro-2-octyl-3(2H)-isothiazolone ClC=1SN(CCCCCCCC)C(=O)C=1Cl Tox21_302409 -NCGC00255394-01 196728522 tox21-ror-cho-viability-p1 set3 4 14.6424279162 27.589477984 2.410522016 30 0.4 0.4185152507 0.2538997371 7.53119261 6.10167987 5.69922714 3.75866084 13.57112795 -4.65789832 2.50171945 12.5849961 10.11450991 13.9930801 -0.26759949 15.43247481 9.67300677 22.59814119 22.81282371 7.7269999999E-10 1.7279999999E-9 3.864E-9 8.639E-9 1.932E-8 4.32E-8 9.659E-8 2.1599999999E-7 4.829E-7 0.00000108 0.0000024149999999 0.0000054 0.00001207 0.000027 0.000060369999999 16470-24-9 6850780 144212253 FC C.I. Fluorescent Brightener 220 [Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)Nc2nc(nc(n2)N(CCO)CCO)Nc6ccc(/C=C/c3ccc(cc3S([O-])(=O)=O)Nc5nc(Nc4ccc(cc4)S([O-])(=O)=O)nc(n5)N(CCO)CCO)c(c6)S([O-])(=O)=O Tox21_301936 -NCGC00255992-01 196710379 tox21-ror-cho-viability-p1 set2 4 61.130564862 -7.817658848 -1 -8.817658848 3.9294729863 0.5114315025 0.1732221672 2.763203 -2.17860435 -0.98221075 -2.21597812 -3.43662837 -1.15382842 -0.19123599 0.62687492 -3.71031546 -1.57518527 -0.88898979 0.43248572 0.32928631 -2.38846482 -7.34804904 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5510-99-6 21685 144212392 A A 2,6-Di(butan-2-yl)phenol Oc1c(cccc1C(C)CC)C(C)CC Tox21_302075 -NCGC00255966-01 196710376 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -13.440976204 2 -11.440976204 4.9549173134 0.7382771981 0.0236520312 2.24003147 6.66816606 2.33994182 2.63737582 3.15599163 1.91898216 0.57655181 2.11104702 0.7837459 3.43477355 0.48923037 0.14912628 0.35846797 2.86330442 -9.11748017 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 603-33-8 11774 144212557 A A Triphenylbismuth c1ccccc1[Bi](c2ccccc2)c3ccccc3 Tox21_302240 -NCGC00255112-01 196710388 tox21-ror-cho-viability-p1 set2 4 0.0034376243 10.728373524 -11.228373524 -0.5 2.3331733767 0.8836423531 0.0007027531 -10.19031127 -7.9259843 -1.56515605 -2.29741551 0.00585191 -2.23040407 0.16555977 -0.21462415 -0.00827935 0.09820653 -0.08128087 0.20574562 -0.64527926 -2.6706146 -1.93295401 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 815-17-8 13150 144211771 A A 3,3-Dimethyl-2-oxobutyric acid CC(C)(C)C(=O)C(=O)O Tox21_301454 -NCGC00255550-01 196710391 tox21-ror-cho-viability-p1 set2 4 0.24707067 1.75329745 1.40315562 0.98039593 -0.8811502 1.42055202 1.94872302 2.38321734 0.10289323 0.44761316 0.9671298 -0.6509292 -0.74244376 1.62451919 1.0093107 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-97-4 31234 144211991 A A 3-Phenyl-1-propanol OCCCc1ccccc1 Tox21_301674 -NCGC00255253-01 196710395 tox21-ror-cho-viability-p1 set2 4 3.25651589 -0.92386623 0.96994539 -0.79547881 0 -0.27582629 -0.6428792 -0.40715468 1.13058962 -0.29585273 0.45836797 0.23376892 1.57616978 1.04745512 0.19988952 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 357-57-3 442021 144212491 A A Brucine COc1cc2c(cc1OC)N5C(=O)C[C@@H]4OCC=C3CN7CC[C@]26[C@@H]7C[C@@H]3[C@@H]4[C@H]56 Tox21_302174 -NCGC00255185-01 196710788 tox21-ror-cho-viability-p1 set2 -2.4 76.9588215421 -26.793330772 -1 -27.793330772 4.9549173134 0.6994988544 0.0384168834 -5.29430237 -0.4238006 -0.70969089 -1.28960854 4.52441532 -0.50651044 -1.00542924 -10.6295384 0.34898417 1.16481038 0.59480052 -1.9456553 -2.23043004 0.30847415 -21.49444231 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2152-44-5 16533 144212605 A A Betamethasone valerate OCC(=O)[C@@]4(OC(=O)CCCC)[C@@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_302288 -NCGC00259491-01 196706660 tox21-ror-cho-viability-p1 set1 4 6.7651593166 17.243935516 -9.243935516 8 0.4 0.5559219452 0.1309050065 -5.82391465 -5.08825728 -16.03661293 -14.74521276 -3.55834024 -0.70346373 -5.55710113 -7.46594834 -3.43263693 -4.92308773 -1.87845753 0.22203997 4.08612849 0.20373065 3.89009399 1.284E-9 2.8709999999E-9 6.42E-9 1.436E-8 3.2099999999E-8 7.178E-8 1.605E-7 3.5889999999E-7 8.0249999999E-7 0.0000017939999999 0.0000040119999999 0.000008972 0.000020059999999 0.00004486 0.0001003 75-12-7 713 144209140 A A Formamide NC=O Tox21_201942 -NCGC00259123-01 196705833 tox21-ror-cho-viability-p1 set1 4 -9.73144143 -6.97284853 -9.27707128 -10.74764601 -3.96303959 -7.05667924 -7.78286372 -3.58709685 -6.81089304 -10.90684332 5.73604333 -11.33648136 -15.11032059 -9.93784666 1.68745524 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 82558-50-7 73672 144208772 A A Isoxaben CCC(C)(CC)c2cc(NC(=O)c1c(OC)cccc1OC)on2 Tox21_201574 -NCGC00259021-01 196706245 tox21-ror-cho-viability-p1 set1 4 -7.38391171 2.44169389 23.07387881 -0.17788056 3.42178733 0.73493107 -0.77357117 0.06063105 4.2091397 5.20030159 0.32645084 0.50284321 2.12184575 3.77139815 2.05434094 1.165E-9 2.606E-9 5.827E-9 1.303E-8 2.9139999999E-8 6.515E-8 1.457E-7 3.2579999999E-7 7.284E-7 0.000001629 0.0000036419999999 0.000008144 0.00001821 0.000040719999999 0.000091049999999 111-11-5 8091 144208668 AC Ac Methyl octanoate O=C(CCCCCCC)OC Tox21_201470 -NCGC00259289-01 196706261 tox21-ror-cho-viability-p1 set1 4 2.18998977 0.59629897 0.10195471 0.40143022 7.24665804 4.61043211 2.36587833 3.02380305 1.1465257 9.64513618 1.59283581 3.7163138 -1.2624417 1.87924978 6.20546623 1.19E-9 2.661E-9 5.949E-9 1.3299999999E-8 2.975E-8 6.6519999999E-8 1.487E-7 3.326E-7 7.437E-7 0.000001663 0.000003718 0.000008314 0.00001859 0.00004157 0.000092959999999 117-08-8 8326 144208938 Tetrachlorophthalic anhydride O=C1OC(=O)c2c1c(Cl)c(Cl)c(Cl)c2Cl Tox21_201740 -NCGC00259250-01 196706669 tox21-ror-cho-viability-p1 set1 4 0.0054482673 9.9398168679 -6.9398168679 3 4.9549173134 0.4326011412 0.2581983008 -1.4349377 -12.44984739 0.05987652 5.85236311 2.20543618 1.02933355 -0.79641649 -0.14238766 1.07820383 12.85303397 2.31560663 1.30051648 2.2548586 2.86468811 -1.26883016 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.000003688 0.000008248 0.00001844 0.00004124 0.000092209999999 111-42-2 8113 144208899 A A Diethanolamine OCCNCCO Tox21_201701 -NCGC00257070-01 196707078 tox21-ror-cho-viability-p1 set1 4 9.97192638 -0.30214701 -2.93307257 0.29820161 0.72848822 3.18969246 5.94127067 0.669268 1.99515412 0.08491584 11.45685393 5.91883511 8.31098202 5.25371762 9.71375867 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 95-16-9 7222 144213549 A F Benzothiazole c1cccc2scnc12 Tox21_303232 -NCGC00257076-01 196707082 tox21-ror-cho-viability-p1 set1 4 0.8418934 -12.2051592 1.57319672 -8.44698332 1.8084585 -11.40725796 -0.92989141 -0.63755662 1.61702746 -0.19203568 -12.5473315 2.07994032 0.24232982 4.12911824 5.39608478 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 123-11-5 31244 144213648 A F 4-Methoxybenzaldehyde COc1ccc(C=O)cc1 Tox21_303331 -NCGC00166266-03 196723551 tox21-ror-cho-viability-p1 set3 4 0.0021131682 -17 19 2 0.5 0.6565190338 0.0721692247 14.53568909 12.86226218 4.3863742 11.284226 5.67151954 3.79723065 8.47921068 0.20983395 5.36707051 2.87384159 4.91752611 2.46835202 2.5727955 1.67438994 11.74885487 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3753-81-9 68610 170466646 A 1,3-Bis(4-carboxyphenoxy)propane O=C(O)c1ccc(cc1)OCCCOc2ccc(cc2)C(=O)O Tox21_112384_1 -NCGC00163329-03 196723136 tox21-ror-cho-viability-p1 set3 4 3.7578035763 -6.7753144599 -1 -7.7753144599 2.7202212143 0.4486312236 0.2449355716 -7.47296424 0.43477548 -2.60197702 -1.59348774 1.36106526 0 0 0 -0.06684424 0.45981223 -2.99211197 -3.21843136 -11.06276205 -4.39645644 2.82505472 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 135046-48-9 115366 170465231 A Clopidogrel bisulfate O=S(=O)(O)O.Clc1ccccc1[C@H](N2CCc3sccc3C2)C(=O)OC Tox21_111570_1 -NCGC00247690-01 196723138 tox21-ror-cho-viability-p1 set3 4 -3.73488232 12.59692864 17.12380406 -3.62142953 -5.02754857 1.32644572 -7.2190751 4.74009881 1.70100589 7.6434546 9.0443442 10.34611981 12.45023973 7.89403692 12.7508972 1.344E-9 3.0059999999E-9 6.721E-9 1.503E-8 3.361E-8 7.515E-8 1.68E-7 3.7569999999E-7 8.4019999999E-7 0.000001879 0.0000042009999999 0.000009394 0.000021 0.00004697 0.00010499999999 50505-91-4 60196319 144206393 A A (+)-2,5-Dimethoxy-4-ethylamphetamine hydrochloride Cl.COc1cc(CC)c(cc1C[C@H](C)N)OC Tox21_112840 -NCGC00091009-07 196723147 tox21-ror-cho-viability-p1 set3 1.4 0.084126743 22.865694028 -15.865694028 7 0.9999999999 0.6971704099 0.0392893656 -21.51667644 -7.4023438 -23.22141169 0 -22.34664292 -10.47875902 0 -4.93018097 2.80248581 6.09009052 6.7303084 8.93039974 2.34486385 4.3504136 10.33458261 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-18-4 6010 170464631 A 17-Methyltestosterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C4 Tox21_113162_1 -NCGC00254032-01 196720316 tox21-ror-cho-viability-p1 set3 4 0.0685896219 19.798696388 -15.798696388 4 0.2 0.4570659911 0.2184452871 -10.10082923 -11.53370883 -1.12700575 -13.58224699 -5.86809972 -7.66934157 -2.44250784 -2.30025311 -1.53135872 -5.34470866 -0.06604801 -5.99059757 -4.85861853 0.12786701 4.2871912 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 189003-92-7 9869105 144210557 A A Trelanserin NC(=O)CN2c1cc(F)ccc1C(=CC2=O)CCN3CCN(CC3)c5nccc4sccc45 Tox21_300237 -NCGC00254950-01 196719490 tox21-ror-cho-viability-p1 set3 4 -3.3640329 2.14613552 -5.69503843 -6.47870069 -5.31109595 -4.765032 -3.49029862 -0.75391965 -5.34429235 1.26291561 -4.44058668 -3.0675257 0.46481346 0.64980547 2.71202163 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1918-02-1 15965 144211365 A A Picloram Nc1c(Cl)c(nc(Cl)c1Cl)C(=O)O Tox21_301048 -NCGC00254601-01 196719888 tox21-ror-cho-viability-p1 set3 4 -3.27338332 -4.0389877 -10.7035603 -10.02885456 1.15249053 -10.11367873 4.97548714 -9.58235176 5.19244989 -21.86204049 -19.03764371 -10.29792144 -3.54703228 -15.16906062 -5.63856426 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 646-06-0 12586 144211010 FNS 1,3-Dioxolane C1COCO1 Tox21_300693 -NCGC00254932-01 196720315 tox21-ror-cho-viability-p1 set3 4 0.685896219 15.3727946439 -13.3727946439 2 0.4 0.6646580529 0.0559504202 -12.15792008 -10.66164631 -10.47525961 -15.72732887 -11.53794828 -8.14042568 -1.33035952 -7.84096785 -9.44822131 -0.42379286 -8.46507127 -1.21370039 -0.38987291 0.33345915 -0.38909013 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 717-74-8 12860 144211347 A Ac 1,3,5-Triisopropylbenzene CC(C)c1cc(cc(c1)C(C)C)C(C)C Tox21_301030 -NCGC00254147-01 196720326 tox21-ror-cho-viability-p1 set3 4 4.79625052 7.26321861 -3.07197836 -8.4523465 3.91899688 1.40954522 -1.50574648 13.09018383 11.7023917 11.19362831 -6.13901387 11.09905094 -0.56199966 3.8890811 4.95128523 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6846-50-0 23284 144210635 A Ac 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate O=C(OC(C(C)C)C(C)(C)COC(=O)C(C)C)C(C)C Tox21_300316 -NCGC00254712-01 196720721 tox21-ror-cho-viability-p1 set3 4 -0.99816439 11.42152894 -2.41516714 -7.61997283 12.60672278 1.31663562 -0.64623037 16.79132135 13.74376722 5.6631567 10.14639664 14.23350301 5.09019977 3.60451807 3.33778399 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 53112-28-0 91650 144211125 A A Pyrimethanil Cc2cc(C)nc(Nc1ccccc1)n2 Tox21_300808 -NCGC00254593-01 196720734 tox21-ror-cho-viability-p1 set3 4 0.0043277126 7.3288461079 -8.8288461079 -1.5 4.9549173134 0.4735745826 0.2040790873 -6.03236088 -11.94070509 -1.31141819 0.39706725 -1.78664789 -1.13994923 2.96909897 0.81264737 1.56549539 -5.14943073 -0.99513008 -0.85760188 -5.70990575 -4.44626876 -2.82201219 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112410-23-8 91773 144211002 A A Tebufenozide CCc1ccc(cc1)C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C Tox21_300685 -NCGC00253978-01 196720742 tox21-ror-cho-viability-p1 set3 4 0.0048557734 5.6979921319 -5.6979921319 0 4.9549173134 0.3534773356 0.3360841319 -2.90376238 -8.08166011 -1.41280733 0.67817498 -2.13415414 -2.62677462 0.54214466 2.67815515 1.29656543 0.33081663 -3.11323782 2.42726108 -5.12972287 2.21965646 -3.21294116 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-09-3 7276 144210430 AC Bc Styrene oxide c1ccccc1C2CO2 Tox21_300110 -NCGC00255100-01 196714299 tox21-ror-cho-viability-p1 set2 4 1.09476456 4.35925017 -0.22349596 1.59773101 1.65097761 3.94794551 3.094839 1.00638756 2.14267756 2.46911253 1.46580932 4.18516221 3.81152134 0.37366061 0.94012947 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10402-33-2 25238 144211520 C C Eugenyl phenylacetate COc2cc(ccc2OC(=O)Cc1ccccc1)CC=C Tox21_301203 -NCGC00258119-01 196715949 tox21-ror-cho-viability-p1 set2 4 0.60976734 2.41789907 0.54170189 1.42577678 1.98008812 2.37033672 2.50588972 2.25321656 2.2344924 0.50820467 0.37029564 4.96533074 0.67882607 -0.99796236 2.02061836 1.18E-9 2.638E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.596E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.0000082449999999 0.00001844 0.000041219999999 0.00009218 58543-16-1 60196371 144207763 A A Rebaudioside A O[C@@H]8[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]8OC(=O)[C@]7(C)CCC[C@@]5(C)[C@@H]7CC[C@]16CC(=C)[C@@H](C1)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]4OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H]56 Tox21_200565 -NCGC00258361-01 196715951 tox21-ror-cho-viability-p1 set2 4 30.3265518896 -19.753382144 1.5 -18.253382144 2.6384283767 0.9459765444 0.000012945 1.63357911 3.44495942 0.06931673 2.05173146 2.32385823 3.25918259 2.56544516 -0.24716836 2.64059323 1.189271 -1.30420854 2.60663052 -3.08367967 -11.46012462 -17.29448512 1.1699999999E-9 2.6159999999E-9 5.849E-9 1.3079999999E-8 2.925E-8 6.54E-8 1.462E-7 3.27E-7 7.3119999999E-7 0.000001635 0.000003656 0.000008175 0.00001828 0.000040869999999 0.0000914 89-63-4 6979 144208005 A A 4-Chloro-2-nitroaniline Nc1ccc(Cl)cc1[N+]([O-])=O Tox21_200807 -NCGC00258562-01 196716360 tox21-ror-cho-viability-p1 set2 4 63.4608891057 -23.864367892 0.5 -23.364367892 4.9549173134 0.9452461377 0.0000139689 0.84290009 -2.06002046 -0.53186122 0.06703771 2.24267463 2.28945246 0.30131708 -0.65238272 1.12962729 -0.02928369 -0.02142618 2.15089755 1.71433317 -1.33406216 -19.05363991 1.106E-9 2.4729999999E-9 5.531E-9 1.237E-8 2.765E-8 6.183E-8 1.383E-7 3.0919999999E-7 6.913E-7 0.0000015459999999 0.0000034569999999 0.000007729 0.00001728 0.00003865 0.00008641 101-53-1 7563 144208207 A A 4-Benzylphenol Oc2ccc(Cc1ccccc1)cc2 Tox21_201009 -NCGC00254547-01 196713900 tox21-ror-cho-viability-p1 set2 4 68.5896218971 15.9428033439 -1.4428033439 14.5 4.9549173134 0.822022111 0.0049283077 0.7677349 1.87080226 -1.18015497 -3.70233612 -1.78159807 -2.78516325 -3.48327071 -2.59473259 -1.38327632 -2.2675354 -0.48802783 0.16831803 -0.80671259 -1.1868844 11.59805521 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67-20-9 4509 144210919 A Fc Nitrofurantoin O=[N+]([O-])c2ccc(/C=N/N1CC(=O)NC1=O)o2 Tox21_300602 -NCGC00254846-01 196713903 tox21-ror-cho-viability-p1 set2 4 34.3762428541 -20.3527084959 -0.5 -20.8527084959 0.5 0.7258696074 0.0277136881 -0.77741391 -0.82128002 0.74984858 -1.02151278 -1.42417563 -2.95867074 -1.00630687 -0.07123388 -1.72220011 -9.37200265 -6.57653296 -8.73739677 -3.16639146 -9.71081826 -17.37725708 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121552-61-2 86367 144211261 A A Cyprodinil Cc2cc(nc(Nc1ccccc1)n2)C3CC3 Tox21_300944 -NCGC00254393-01 196714300 tox21-ror-cho-viability-p1 set2 4 0.80138926 1.70469064 -0.75175173 -0.38458426 2.1891221 3.26563393 3.1515574 3.10171915 0.07618476 2.84048167 -1.78953073 -0.87435839 -0.10900825 3.43400718 1.60811497 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 528-29-0 10707 144210736 A A 1,2-Dinitrobenzene O=[N+]([O-])c1ccccc1[N+]([O-])=O Tox21_300418 -NCGC00254091-01 196714312 tox21-ror-cho-viability-p1 set2 4 -0.55101648 1.24044776 2.01533434 2.26461371 1.59668985 0.75112996 0.18072668 1.24135579 0.104933 -0.19607465 -2.5211627 -1.37764372 -5.61865254 -5.93412355 -7.21732805 1.115E-9 2.493E-9 5.574E-9 1.246E-8 2.7869999999E-8 6.2319999999E-8 1.394E-7 3.1159999999E-7 6.9679999999E-7 0.000001558 0.000003484 0.00000779 0.00001742 0.00003895 0.000087099999999 NOCAS_47379 60196408 144210575 A A SSR126768 Cl.CCN(Cc1cccnc1)C(=O)c2cccc(Cl)c2[C@@]5(C)c3cc(Cl)ccc3N(Cc4ccc(OC)cc4OC)C5=O Tox21_300255 -NCGC00254817-01 196714317 tox21-ror-cho-viability-p1 set2 4 54.4826732819 9.90336454 -0.90336454 9 2.9522712143 0.7053836683 0.0369696493 -0.45953787 -2.61848898 -0.57791923 -0.24061405 -3.66947045 -1.35474347 -2.49000516 -1.02908891 1.20443001 1.01486079 1.29862499 -0.34806751 0.04217086 2.22134711 7.31487694 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10287-53-3 25127 144211230 A A Parbenate CN(C)c1ccc(cc1)C(=O)OCC Tox21_300913 -NCGC00253960-01 196714714 tox21-ror-cho-viability-p1 set2 4 0.60871691 -1.44727095 -4.45771952 -4.48030789 -3.7126801 -1.00816716 -3.09591373 -1.22763583 -2.63838227 -5.53591065 -1.03710562 0.7914892 -1.22884356 -3.51192271 -3.67787483 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 541-73-1 10943 144210325 FNS 1,3-Dichlorobenzene Clc1cccc(Cl)c1 Tox21_300005 -NCGC00253991-01 196714721 tox21-ror-cho-viability-p1 set2 -2.2 54.4826732819 -50.5804155373 -1.6768605359 -52.2572760732 1.713743691 0.9462157566 0.0000125393 0.48880706 0.36778557 2.17975985 -4.97735187 0.22184392 -1.67163028 -1.14163833 -5.08885539 -1.15419749 -5.90054122 -2.96491848 -1.33415653 -11.11236576 -19.18576205 -39.58884551 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47328 53316396 144210544 A A MK-274 [K+].O.FC(F)(F)C(F)(F)COc3ccc(F)cc3c1cccc(c1)c2nc([n-]n2)C(N)=O Tox21_300224 -NCGC00257811-01 196730182 tox21-ror-cho-viability-p1 set3 4 67.892692775 -9.5724418399 0.5 -9.0724418399 4.9549173134 0.3347983298 0.3373342762 2.34120308 1.67452903 1.6921299 0.06325273 2.30728493 -0.08015058 0.44010736 1.57567845 -8.8103682 1.56371089 0.43436044 -1.19941852 2.8357084 0.37940711 -7.22383666 1.1699999999E-9 2.6159999999E-9 5.849E-9 1.3079999999E-8 2.925E-8 6.54E-8 1.462E-7 3.27E-7 7.3119999999E-7 0.000001635 0.000003656 0.000008175 0.00001828 0.000040869999999 0.0000914 68-36-0 6233 144207455 A A 1,4-Bis(trichloromethyl)benzene ClC(Cl)(Cl)c1ccc(cc1)C(Cl)(Cl)Cl Tox21_200257 -NCGC00258433-01 196730185 tox21-ror-cho-viability-p1 set3 4 -1.61207334 -2.15548795 3.69301134 7.52316123 6.00951702 7.13100248 5.27920878 1.14434924 5.91360581 -0.30294709 0.76111701 -5.53884395 1.94096421 2.34910408 1.26549473 1.206E-9 2.6959999999E-9 6.029E-9 1.348E-8 3.014E-8 6.7409999999E-8 1.507E-7 3.37E-7 7.536E-7 0.000001685 0.0000037679999999 0.000008426 0.00001884 0.00004213 0.0000942 6294-89-9 80519 144208077 A Ac Methyl carbazate NNC(=O)OC Tox21_200879 -NCGC00257357-01 196707900 tox21-ror-cho-viability-p1 set1 4 0.1275070766 -8.587004172 -2 -10.587004172 4.9549173134 0.6890238507 0.0434235142 -3.00110816 -0.65708741 -0.7173882 -8.52151563 1.04344775 -0.54208311 -2.89344112 -12.28192856 -13.40583681 -12.09697721 -12.64887082 -7.51290809 -6.82623982 -10.08359583 -7.77425562 7.579E-10 1.6949999999E-9 3.789E-9 8.473E-9 1.895E-8 4.2369999999E-8 9.4729999999E-8 2.1179999999E-7 4.737E-7 0.000001059 0.0000023679999999 0.000005296 0.00001184 0.00002648 0.00005921 129453-61-8 104741 144213958 F F Fulvestrant FC(F)(F)C(F)(F)CCCS(=O)CCCCCCCCC[C@@H]2Cc1cc(O)ccc1[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@H]23 Tox21_303656 -NCGC00257492-01 196707914 tox21-ror-cho-viability-p1 set1 4 1.43490655 1.29855014 -1.02546229 2.8326607 1.04663827 -1.37421301 0.76772814 4.25332179 -0.58942906 1.60548532 1.08417529 1.53790153 -0.9356505 -0.33206329 3.944464 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 15214-89-8 65360 144213830 A A 2-Acrylamido-2-methyl-1-propanesulfonic acid O=C(NC(C)(C)CS(=O)(=O)O)C=C Tox21_303523 -NCGC00257065-01 196707495 tox21-ror-cho-viability-p1 set1 4 12.1971512362 10 2 12 0.8999999999 0.6592361596 0.0595539376 2.9094981 4.96459946 0.80067023 0.15243482 2.72817358 0.68624807 5.21782832 3.52956207 0.23007359 1.10204392 3.61212881 5.40879474 12.1756546 7.41084818 10.29776221 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69-72-7 338 144213426 A A Salicylic acid OC(=O)c1ccccc1O Tox21_303109 -NCGC00257013-01 196707507 tox21-ror-cho-viability-p1 set1 4 -10.01488893 -8.98228168 -9.65870972 -11.56135537 -16.92122379 -12.90572003 -9.90282042 -15.33314691 -20.39241124 -14.78363114 -16.74162082 0.04068224 -21.4127133 -13.76973304 -7.09465949 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 89-87-2 6991 144213532 Bc A 1,3-Dimethyl-4-nitrobenzene Cc1cc(C)ccc1[N+](=O)[O-] Tox21_303215 -NCGC00256633-01 196707915 tox21-ror-cho-viability-p1 set1 4 -4.00981535 -5.56371692 -5.13633626 -2.24942974 -5.18393591 -4.00317106 -1.2326083 -2.99838719 -4.4375787 0.36529012 -6.01571539 -2.5420815 0.09373566 -4.9437052 -0.54564891 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-47-3 7194 144212939 A A 2-Phenylethyl benzoate O=C(OCCc1ccccc1)c2ccccc2 Tox21_302622 -NCGC00257014-01 196707917 tox21-ror-cho-viability-p1 set1 4 6.8589621897 8.198996568 -13.845127844 -5.646131276 4.9549173134 0.4149778529 0.2583320881 -11.31029412 -8.55972889 -15.0493603 -13.7221105 -12.70635245 -9.87964786 -9.62942124 -18.62093987 -18.54502453 -14.42654471 -18.37718462 -6.43892433 -3.03844273 -12.0157001 -5.32746267 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-21-0 7489 144213546 A A Terephthalic acid OC(=O)c1ccc(cc1)C(=O)O Tox21_303229 -NCGC00259397-01 196708732 tox21-ror-cho-viability-p1 set2 4 -2.74683747 -2.55314666 -1.41278982 -4.13000409 1.21483835 0.19506343 -2.71624316 -1.15048594 0.42973343 -2.35357175 -1.41970637 -1.23294777 2.00622467 -0.54200905 -3.46957841 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 55-98-1 2478 144209046 A F Busulfan O=S(C)(=O)OCCCCOS(C)(=O)=O Tox21_201848 -NCGC00259020-01 196708737 tox21-ror-cho-viability-p1 set2 -2.4 49.4479375051 -29.529860792 -0.5 -30.029860792 2.3331733767 0.9641656183 0.0000013339 -0.07862276 0.85650095 -0.48721867 0.91026468 -0.18044208 -4.48141057 -0.2014626 -0.55039454 -0.6042507 -0.19735729 0.70334736 -0.97905057 -2.43355051 -13.41012357 -24.19155066 1.198E-9 2.6779999999E-9 5.988E-9 1.339E-8 2.994E-8 6.6949999999E-8 1.497E-7 3.347E-7 7.485E-7 0.0000016739999999 0.000003742 0.000008368 0.00001871 0.00004184 0.000093559999999 60207-90-1 43234 144208667 A A Propiconazole Clc1ccc(c(Cl)c1)C3(Cn2ncnc2)OCC(CCC)O3 Tox21_201469 -NCGC00258999-01 196708741 tox21-ror-cho-viability-p1 set2 4 0.0138386624 4.160070376 -4.160070376 0 3.1319983358 0.3148723854 0.3736666564 0.01094574 -2.69427093 -10.13339198 -0.63073363 -1.26643115 -0.49752632 0.31326704 0.44910104 0.73299503 -0.83741216 0.57412911 -0.62336325 -0.31994687 -1.81070401 -5.4710716 1.191E-9 2.663E-9 5.954E-9 1.331E-8 2.977E-8 6.657E-8 1.489E-7 3.3279999999E-7 7.4429999999E-7 0.0000016639999999 0.000003721 0.0000083209999999 0.00001861 0.000041609999999 0.00009303 42874-03-3 39327 144208646 A A Oxyfluorfen Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F Tox21_201448 -NCGC00259566-01 196708745 tox21-ror-cho-viability-p1 set2 4 2.94086655 -0.78904902 5.23731053 4.78164626 1.3056546 1.40334829 2.39123383 2.77521301 0.46359785 1.5119028 0.73689956 4.09322295 4.32423204 4.89487564 1.4580727 1.131E-9 2.529E-9 5.6559999999E-9 1.2649999999E-8 2.828E-8 6.3229999999E-8 1.4139999999E-7 3.162E-7 7.069E-7 0.000001581 0.000003535 0.000007904 0.00001767 0.00003952 0.00008837 1634-78-2 15415 144209215 A Fc Malaoxon COP(=O)(OC)SC(CC(=O)OCC)C(=O)OCC Tox21_202017 -NCGC00091483-03 196708753 tox21-ror-cho-viability-p1 set2 4 -5.00492873 -2.67665035 0.27382267 -1.3205737 -1.40065012 -0.17666541 -3.2578036 -0.06691288 0.34965729 -0.2956513 -0.56762291 0.58650731 -0.14800364 -0.5289557 -3.84640323 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00259401-01 196709153 tox21-ror-cho-viability-p1 set2 4 0.6838041867 -9.401096944 9.5 0.098903056 4.9549173134 0.6751147774 0.0503164064 9.67444187 2.46047893 11.29408612 3.09312448 11.98957213 11.69473936 11.75035421 12.62026435 3.3010064 3.63623512 0.22091738 -0.09261779 0.58501433 -2.00091412 -1.41018771 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.944E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.000091989999999 544-63-8 11005 144209050 A A Tetradecanoic acid O=C(O)CCCCCCCCCCCCC Tox21_201852 -NCGC00259944-01 196721940 tox21-ror-cho-viability-p1 set3 -2.1 68.4501412252 -101.755088223 -4.926187833 -106.681276056 4.0449729863 0.9878073108 2.7E-9 -5.68783765 -3.72052704 -4.53016821 1.17000253 -2.3581234 -7.78934343 -5.82474531 -5.67629467 -4.3844831 -4.31072132 -7.37791771 -7.67326908 -5.9630569 -15.79936314 -83.0918758 1.1779999999E-9 2.634E-9 5.89E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018409999999 0.000041159999999 0.00009203 50-55-5 5770 144209593 A A Reserpine COc1cc(cc(OC)c1OC)C(=O)O[C@@H]3C[C@@H]4CN5CCc2c6ccc(OC)cc6nc2[C@H]5C[C@@H]4[C@@H]([C@H]3OC)C(=O)OC Tox21_202395 -NCGC00259496-01 196721932 tox21-ror-cho-viability-p1 set3 4 0.0136158714 7.3878452999 -4.3878452999 3 4.9549173134 0.3514679339 0.3347981206 7.20403003 -12.40653775 -8.65240607 -1.14232255 4.16480612 1.81670168 3.69805701 0.62227233 6.05083782 2.79209811 4.49319061 3.48919989 1.17995799 0.61516236 -4.10205247 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.346E-7 0.000001643 0.000003673 0.0000082129999999 0.000018359999999 0.00004106 0.000091819999999 82-68-8 6720 144209145 Pentachloronitrobenzene Clc1c(c(Cl)c(Cl)c(Cl)c1Cl)[N+]([O-])=O Tox21_201947 -NCGC00259062-01 196721944 tox21-ror-cho-viability-p1 set3 4 -0.76844648 0.51373091 5.72707645 3.43092314 -0.6509189 -9.64396106 -0.81785229 5.81591647 14.27221994 -1.82838758 -0.67884654 -0.82981598 3.81086288 1.03882964 4.79671796 1.198E-9 2.6779999999E-9 5.988E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.485E-7 0.0000016739999999 0.000003742 0.000008368 0.00001871 0.00004184 0.000093559999999 141-05-9 5271566 144208710 A Fc Diethyl maleate O=C(\C=C/C(=O)OCC)OCC Tox21_201512 -NCGC00259185-01 196721945 tox21-ror-cho-viability-p1 set3 4 -0.34305404 -0.47405806 -0.09536036 -0.04722937 2.08296351 -0.28208541 -0.15054065 0.75743552 -1.23805091 0.72553202 -0.22433465 2.21077498 -4.26183105 -4.94911952 -5.27338681 1.1839999999E-9 2.647E-9 5.918E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.3079999999E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008271 0.000018489999999 0.00004136 0.00009247 99-59-2 7447 144208834 A A 2-Methoxy-5-nitroaniline Nc1cc(ccc1OC)[N+]([O-])=O Tox21_201636 -NCGC00091655-05 196722333 tox21-ror-cho-viability-p1 set3 4 -2.3683547 -0.81761662 7.85426204 -2.08006301 10.57663959 8.88266407 4.90542491 5.46975937 -4.71022048 -3.56491054 3.12539538 -2.41193286 -11.56345802 4.61507642 1.99486785 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 80-46-6 6643 170466884 F 4-(2-Methylbutan-2-yl)phenol Oc1ccc(cc1)C(C)(C)CC Tox21_111159_1 -NCGC00091146-04 196722342 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -62.5128727219 1.6025229579 -60.910349764 3.6272481694 0.8391511819 0.0030859368 8.35329104 12.02004444 -2.93043335 1.17666502 -1.81942958 8.50295414 1.96453001 7.73644934 -3.60237707 -6.88523594 -1.89523944 -0.01902477 -3.23189293 -6.72385344 -45.9294964 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-84-2 7108 144213971 A A Phenothiazine c1ccc2Sc3ccccc3Nc2c1 Tox21_400010 -NCGC00257310-01 196718223 tox21-ror-cho-viability-p1 set2 -2.1 61.130564862 -88.0393449512 -2.469353638 -90.5086985892 3.1924983358 0.9814963457 3.03E-8 0.27780403 -0.40012444 -1.04660998 2.71724957 -3.76238041 -6.86950617 -2.86717733 -3.68496025 -0.82461774 -0.69353734 -5.47192661 -1.70210639 -7.37347218 -21.52923546 -71.97628681 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-38-5 5358159 144213683 D 2-(8-Heptadecenyl)-2-imidazoline-1-ethanol OCCN1CCN=C1CCCCCCC/C=C\CCCCCCCC Tox21_303368 -NCGC00091210-02 196717825 tox21-ror-cho-viability-p1 set2 -2.4 54.4826732819 -25.23446524 -2 -27.23446524 2.7202212143 0.9339505982 0.0000381423 -3.2863344 -2.07270756 -0.58065694 -6.10590126 -2.09900748 -1.29471296 -2.61088685 -1.67875943 -1.96503247 0.44081695 -0.46761128 -1.53675821 -2.59896707 -9.81593355 -22.6953877 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 606-37-1 11818 144214017 A A 1,3-Dinitronaphthalene [O-][N+](=O)c2cc(cc1ccccc12)[N+]([O-])=O Tox21_400056 -NCGC00262913-01 196717827 tox21-ror-cho-viability-p1 set2 4 0.26603212 -5.248576032 3.5 -1.748576032 4.9549173134 0.4114903057 0.2624017698 0.85593424 0.7570032 -0.54955182 0.63140459 9.3682076 10.41972107 2.52043121 3.1643113 -1.1682328 -1.47436572 1.05281321 -2.98992361 -3.12381336 -1.08657665 -2.38368608 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 28315-93-7 119921 170466697 A A 5-Hydroxy-1-tetralone Oc2cccc1c2CCCC1=O Tox21_113911 -NCGC00181130-02 196717828 tox21-ror-cho-viability-p1 set2 4 1.46168045 -0.30858618 -6.58699071 0.16810836 -1.84681111 -0.38848823 -5.97864153 1.32044661 1.30041436 1.67276784 0.89522344 0.25054348 -0.91086968 2.1018445 1.10132224 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 143322-58-1 77993 170465317 A Eletriptan CN4CCC[C@@H]4Cc2cnc3ccc(CCS(=O)(=O)c1ccccc1)cc23 Tox21_112737_1 -NCGC00091080-03 196718227 tox21-ror-cho-viability-p1 set2 4 0.89682566 0.81846304 -0.39597286 -0.54908356 4.48949231 1.26792309 1.4463872 1.50214004 2.14460906 1.08146125 6.16501206 5.91292278 -3.47658105 -2.37285666 5.83873768 1.1199999999E-9 2.5029999999E-9 5.5979999999E-9 1.2519999999E-8 2.799E-8 6.258E-8 1.399E-7 3.129E-7 6.9969999999E-7 0.0000015649999999 0.000003499 0.000007823 0.000017489999999 0.00003912 0.000087459999999 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00257211-01 196718236 tox21-ror-cho-viability-p1 set2 4 2.74587725 -2.27857423 0.12301239 0.46810235 -0.64258439 -0.40645873 0.19615349 3.2201175 -0.098992 0.56497691 -1.13669742 6.70088403 2.68930614 0.69039347 4.86847614 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 603-35-0 11776 144213611 D A Triphenylphosphine c1ccccc1P(c2ccccc2)c3ccccc3 Tox21_303294 -NCGC00258483-01 196715557 tox21-ror-cho-viability-p1 set2 4 6.771777873 -9.481320936 -2 -11.481320936 0.8999999999 0.4958317196 0.2009513461 -3.9846717 -0.800235 -6.45102469 -0.2917445 0.97684249 -3.76638491 -2.73236752 -2.55899767 -3.17821915 2.01976037 -5.51815675 -7.6005625 -10.40110078 -7.58812285 -3.16724151 7.954E-10 1.779E-9 3.977E-9 8.8929999999E-9 1.989E-8 4.447E-8 9.943E-8 2.223E-7 4.971E-7 0.000001112 0.000002486 0.000005558 0.00001243 0.000027789999999 0.00006214 27994-11-2 6537499 144208127 FNS Cimicifugoside C[C@@H]4CC2(OC(O)C1(C)OC12)OC5C[C@@]6(C)C7=CC[C@H]9[C@](C)(C)C(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)CC[C@]89C[C@@]78CC[C@]6(C)C45 Tox21_200929 -NCGC00258663-01 196715547 tox21-ror-cho-viability-p1 set2 4 3.48552995 1.59072097 4.17287544 1.25561593 -0.79115979 2.73643861 2.59631502 5.6435819 3.9411794 2.53556005 5.55574821 4.99625191 3.90375891 2.99956813 1.9507978 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004127 0.00009229 89-65-6 54675810 144208309 A A Isoascorbic acid OC=1C(=O)O[C@H]([C@H](O)CO)C=1O Tox21_201111 -NCGC00257830-01 196715551 tox21-ror-cho-viability-p1 set2 4 5.16314138 1.90295246 -0.43446112 0.23568186 3.62842394 5.8461233 0.42490968 3.41791538 3.64352745 -0.00134883 2.92452608 4.77254375 0.70615634 3.32742916 6.52107344 1.1449999999E-9 2.56E-9 5.724E-9 1.28E-8 2.8619999999E-8 6.399E-8 1.431E-7 3.2E-7 7.155E-7 0.0000016 0.000003577 0.0000079989999999 0.00001789 0.000039999999999 0.00008943 106-89-8 7835 144207474 AC A Epichlorohydrin ClCC1CO1 Tox21_200276 -NCGC00091532-04 196715554 tox21-ror-cho-viability-p1 set2 -2.2 55.1482208978 -77.5270738237 1.2040402369 -76.3230335868 1.5385888099 0.9469603326 0.0000116017 0.14833257 -1.31085407 0.0947628 5.13911764 1.76245517 3.10258715 3.64822357 -0.17521807 0.96055414 0.18817202 3.01964094 -2.79845646 -18.4503054 -21.02685447 -57.82047999 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00257592-01 196715565 tox21-ror-cho-viability-p1 set2 4 68.1713220381 -14.221424604 -0.5 -14.721424604 2.9022712143 0.6582583637 0.060389047 -0.8245291 1.01929831 -1.51440865 0.0390048 -4.58702826 -0.18316407 -0.28811924 0.7507648 1.31830661 1.18054603 -4.58799643 1.55324972 -1.81041237 -3.0639538 -10.60118717 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 4016-14-2 19920 144207236 AC F Isopropyl glycidyl ether CC(C)OCC1CO1 Tox21_200038 -NCGC00258497-01 196715963 tox21-ror-cho-viability-p1 set2 -1.1 30.6996027582 -77.4965521315 -1.494289218 -78.9908413495 4.9549173134 0.9958042612 0 -1.88234845 -1.21402896 -3.39797195 -1.2074174 -1.55880867 -3.09011246 -4.42660408 0.50578134 1.091682 1.5204987 -2.18416473 -0.40047142 -9.46065417 -70.04110887 -78.42239348 1.301E-9 2.909E-9 6.505E-9 1.455E-8 3.2519999999E-8 7.273E-8 1.626E-7 3.6359999999E-7 8.131E-7 0.000001818 0.000004066 0.0000090909999999 0.000020329999999 0.00004546 0.00010159999999 68047-06-3 449459 144208141 A A (Z)-4-Hydroxytamoxifen Oc1ccc(cc1)C(\c2ccc(OCCN(C)C)cc2)=C(/CC)c3ccccc3 Tox21_200943 -NCGC00254612-01 196714747 tox21-ror-cho-viability-p1 set2 4 34.3762428541 -11.890152072 -1.5 -13.390152072 3.2974983358 0.7312349559 0.0258968637 2.32801739 -1.46632394 0.22004416 -3.61117804 -3.30473383 -4.23534444 -1.15015059 -2.41341231 -0.21255951 0.02338673 -2.09466017 2.74238371 -5.22611718 -7.97981353 -13.65846006 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 136-32-3 23662264 144211021 A A 2,4,5-Trichlorophenol sodium salt [Na+].[O-]c1cc(Cl)c(Cl)cc1Cl Tox21_300704 -NCGC00163927-04 196714342 tox21-ror-cho-viability-p1 set2 4 0.41505943 -0.46141903 -2.52209147 -3.50941294 -6.17379378 1.09584579 -5.83604721 -3.7187359 -9.87005803 -2.84222821 -2.65692594 -4.11384376 -2.02328729 -4.67931028 -1.2259594 1.203E-9 2.6889999999E-9 6.014E-9 1.345E-8 3.007E-8 6.723E-8 1.503E-7 3.362E-7 7.517E-7 0.0000016809999999 0.000003759 0.000008404 0.000018789999999 0.00004202 0.000093959999999 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00090885-03 196714741 tox21-ror-cho-viability-p1 set2 4 3.08685023 0.64158618 4.05640845 -0.62251826 -0.18008233 3.73052812 0.51348 0.9696053 -0.37368485 1.17773425 0.31012502 1.12522635 3.80786056 2.66159804 2.0564662 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00253914-01 196714743 tox21-ror-cho-viability-p1 set2 4 -5.66441825 -4.31796416 -1.1267366 -9.39800165 -5.34013195 -8.25759814 -7.70028394 -7.66546253 -3.77197536 -7.18755494 -3.680869 -8.44852604 -2.21544152 -0.94542266 0.51801295 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-50-1 7239 144210366 AC Fns 1,2-Dichlorobenzene Clc1ccccc1Cl Tox21_300046 -NCGC00254386-01 196714748 tox21-ror-cho-viability-p1 set2 4 1.25689141 6.17201801 4.58984429 3.82924312 3.60491388 -2.29149633 3.99806871 2.74541106 -3.23460675 -1.16459998 5.28900824 -1.64383989 -2.37824742 5.08525486 -1.5644846 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1338-43-8 9920342 144210707 D Sorbitan, mono-(9Z)-9-octadecenoate O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)[C@H]1OC[C@H](O)[C@H]1O Tox21_300389 -NCGC00254142-01 196714751 tox21-ror-cho-viability-p1 set2 4 0.68229776 0.97321797 -0.28923272 -0.043198 -0.08858376 2.00896932 3.58399558 -0.48132735 0.66077338 2.43954634 0.6401102 4.59985688 2.81969475 0.11979122 0.3624477 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 97-54-1 7338 144210623 D Isoeugenol Oc1ccc(cc1OC)C=CC Tox21_300303 -NCGC00344539-01 196725610 tox21-ror-cho-viability-p1 set3 4 0.2371013766 4.925067432 -3.925067432 1 4.9549173134 0.3668430045 0.3053487293 -4.30975488 0 -4.83748207 -3.61812471 -5.12444375 -2.91652293 -5.72895271 -5.39258573 3.81726133 -1.4053228 4.09569098 -7.85422286 3.18305722 0.37808558 4.17544878 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 87151-85-7 55652 170466255 A Spiradoline Clc1ccc(cc1Cl)CC(=O)N(C)[C@H]2CC[C@]4(C[C@@H]2N3CCCC3)CCCO4 Tox21_113060_1 -NCGC00247735-02 196725198 tox21-ror-cho-viability-p1 set3 4 -0.5879028 2.9566058 1.36492943 -0.28219317 -0.95945987 0.03952187 3.2696241 1.30985308 1.09872581 0.29927796 2.92536123 0.2655039 1.65758349 -0.67117176 1.42925819 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 230615-23-3 50878597 170465218 A Varenicline tartrate Cl.c1c4c(cc2nccnc12)C3CC4CNC3 Tox21_112901_1 -NCGC00018215-06 196725210 tox21-ror-cho-viability-p1 set3 4 -3.32650502 -6.02939282 -1.18263365 -0.54679302 -2.40154579 -1.80316972 -1.85346929 -6.59036664 -11.85753095 -12.47826326 -6.54310962 -2.37525933 -5.18611996 -2.64357025 1.2754092 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 34381-68-5 441307 170465309 A Acebutolol hydrochloride Cl.CC(C)NCC(O)COc1ccc(cc1C(C)=O)NC(=O)CCC Tox21_110633_1 -NCGC00179342-03 196725607 tox21-ror-cho-viability-p1 set3 4 8.4126743008 -5.2153427799 0.5 -4.7153427799 4.9549173134 0.3685189962 0.3055098559 3.45100474 0.96525315 -0.59933971 -3.1483518 0.46843762 -1.10289597 -1.33311207 -2.86697308 3.2239279 4.90882834 -2.88255478 2.79166441 -2.59299404 -6.01278565 -3.81797478 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6452-73-9 71172 170464995 A Oxprenolol hydrochloride Cl.CC(C)NCC(O)COc1ccccc1OCC=C Tox21_110556_1 -NCGC00182986-01 196725618 tox21-ror-cho-viability-p1 set3 4 -5.70277195 0 -7.34582064 2.67082647 -0.99073453 -7.63685404 -1.39102059 2.32804107 -6.49777648 -5.02212865 -2.79596386 0.47283421 -0.71898144 -1.48264803 -0.22099534 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13402-08-9 1999 144206817 A A Acetylpheneturide CCC(C(=O)NC(=O)NC(C)=O)c1ccccc1 Tox21_113266 -NCGC00090780-04 196725682 tox21-ror-cho-viability-p1 set3 4 -2.32343212 5.15835548 1.21472521 1.41425563 -1.66071806 -0.34238891 2.72804376 -0.27483097 0.51430033 -2.59828937 14.07616936 4.65449209 1.16913333 -2.58656004 -4.08928088 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00092361-06 196725276 tox21-ror-cho-viability-p1 set3 4 -0.32923364 0.74101982 0.15122875 -2.1686917 -1.29592744 -4.27117997 -2.9188973 -1.59955929 0.78337283 -4.79176923 0.41646924 -0.31957279 0.58607709 -2.22704858 -0.83920861 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 363-24-6 5280360 170465000 A Prostaglandin E2 O[C@@H]1CC(=O)[C@H](C/C=C\CCCC(=O)O)[C@H]1/C=C/[C@@H](O)CCCCC Tox21_111196_1 -NCGC00090942-03 196725280 tox21-ror-cho-viability-p1 set3 -2.1 54.4826732819 -105.7995160655 -0.5243585497 -106.3238746152 3.9899729863 0.9205572978 0.0000995117 -10.66185314 -13.73525143 -11.82398049 -0.7490504 -0.10741798 3.80916486 -1.25631739 4.54139706 -1.71459522 6.1261527 -0.85497277 10.10889835 9.49129036 -26.90114411 -94.7628116 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00253621-01 196725284 tox21-ror-cho-viability-p1 set3 4 6.02216137 1.49057104 0.41330779 2.8381674 0.60170801 3.16615969 -2.88676522 4.02975133 0.29656878 -0.424271 -2.79615836 3.89114784 1.84383684 4.59704184 -2.01014895 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94158-44-8 56738 170466672 F Ac 1,1-Dimethoxy-2-(2-methoxyethoxy)ethane COC(COCCOC)OC Tox21_113751 -NCGC00094748-07 196725690 tox21-ror-cho-viability-p1 set3 3 33.4914596268 203.5353246186 -8.7668878162 194.7684368024 4.9549173134 0.7718129545 0.0135818721 -13.80328334 3.80086232 -5.35325596 -1.72216355 -2.01184533 -0.66395932 -0.55137838 -15.09021033 2.15040166 -1.61317459 -2.53736468 14.10776438 -16.59800177 -77.63878647 182.0524626 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 129-20-4 4641 170465310 A Oxyphenbutazone Oc1ccc(cc1)N3C(=O)C(CCCC)C(=O)N3c2ccccc2 Tox21_110414_1 -NCGC00164615-02 196725703 tox21-ror-cho-viability-p1 set3 1.2 1.4960085492 59.8736253919 -3.6021411359 56.271484256 1.9673362061 0.947867496 0.0000253307 -2.01165598 0.55237023 -2.2150165 -1.63444147 -0.19934723 -1.55321065 -8.35929836 2.68046212 -13.03006389 2.31440749 38.82003342 50.50883566 48.89194875 57.30929143 43.53990217 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 123447-62-1 65947 170465849 A Prulifloxacin CC=5OC(=O)OC=5CN1CCN(CC1)c2cc3c(cc2F)C(=O)C(=C4SC(C)N34)C(=O)O Tox21_112235_1 -NCGC00025004-04 196726106 tox21-ror-cho-viability-p1 set3 4 0.0059557173 -27.911643356 8.5 -19.411643356 2.09374246 0.9207754344 0.0000983489 9.41022851 8.51795173 -0.92583128 -3.83699858 -18.1827614 -19.83815838 -15.64782181 -13.06435028 -24.09303613 -18.897082 -19.31316313 -17.25756846 -22.74224233 -18.47127323 -21.62821841 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 162408-66-4 4302960 170466893 A GR 103691 CC(=O)c1ccc(cc1)c2ccc(cc2)C(=O)NCCCCN3CCN(CC3)c4ccccc4OC Tox21_110943_1 -NCGC00018221-08 196710820 tox21-ror-cho-viability-p1 set2 4 0.0980689457 -12.365150024 10.5 -1.865150024 1.6266150999 0.9811202146 3.44E-8 10.32378313 11.99867762 10.2102358 9.10785926 9.12467687 7.63806163 1.00521452 0.19854039 -1.84827102 -2.11053478 -1.80902572 -2.38762502 -1.52955777 -1.75893425 -1.1206376 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00163843-03 196710407 tox21-ror-cho-viability-p1 set2 4 -0.30100098 5.58028898 4.80006843 4.10562103 2.21885697 3.17300594 0.50297608 -0.12404792 1.58756006 0.85333581 0.13700041 2.20910092 0.23788284 1.91604734 0.05068862 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 104206-82-8 175967 144214011 A D Mesotrione O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O Tox21_400050 -NCGC00257536-01 196710408 tox21-ror-cho-viability-p1 set2 4 0.41560359 1.92245591 -0.66865474 0.92530641 1.88760749 0.43423858 1.58682647 -0.81090516 1.67277097 1.07425542 -0.50803855 0.78090591 -0.6828017 0.5024511 -0.10634754 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 614-80-2 11972 144212502 A A 2-Acetamidophenol Oc1ccccc1NC(C)=O Tox21_302185 -NCGC00255681-01 196710411 tox21-ror-cho-viability-p1 set2 4 4.51176036 5.93804051 2.69626288 5.37936782 4.05208048 1.34951409 0.20014157 0.761812 0.72748868 1.31835254 0.83670403 -0.19842517 1.74899978 -0.17498931 4.10395186 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5333-42-6 21414 144212611 A Fc 2-Octyl-1-dodecanol CCCCCCCCC(CCCCCCCCCC)CO Tox21_302294 -NCGC00090750-04 196710830 tox21-ror-cho-viability-p1 set2 4 69.4274967035 -17.9072465 -1.5 -19.4072465 4.4494702849 0.5791296124 0.1129253699 -10.03195412 -5.81723968 -3.1353035 0.0943326 1.29913113 -0.61280013 -2.83715149 2.14015918 -0.90813277 0.61787707 1.44924991 -2.4460553 -0.58982085 -2.86077294 -15.75603875 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00257637-01 196716248 tox21-ror-cho-viability-p1 set2 4 0.59915717 0.60589016 -4.37711184 -1.27862873 -1.18642139 -3.70967006 -0.60909077 -0.22348535 -0.08559267 -3.81787155 -2.28781373 1.25374923 -3.8635726 0.99965525 1.53618718 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3839999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004128 0.00009229 244-63-3 64961 144207281 A A Norharman c2cncc3nc1ccccc1c23 Tox21_200083 -NCGC00257599-01 196715838 tox21-ror-cho-viability-p1 set2 -2.4 49.0024986748 -29.949738884 -1 -30.949738884 1.9673362061 0.9365620122 0.0000306685 -1.9934471 -3.06197273 -0.89711896 -2.6684138 -2.72577618 0.57548065 -0.57460749 1.63849537 -1.88015512 -2.70154451 1.8305462 0.56819056 -6.17996998 -13.03635177 -24.54144907 1.189E-9 2.658E-9 5.9439999999E-9 1.3289999999E-8 2.9719999999E-8 6.646E-8 1.486E-7 3.323E-7 7.4299999999E-7 0.0000016609999999 0.0000037149999999 0.000008307 0.000018579999999 0.00004154 0.000092879999999 81-84-5 6693 144207243 A I 1H,3H-Naphtho(1,8-cd)pyran-1,3-dione O=C3OC(=O)c2cccc1cccc3c12 Tox21_200045 -NCGC00257911-01 196715854 tox21-ror-cho-viability-p1 set2 4 65.0676848302 12.0548686239 -3.0548686239 9 4.0949729863 0.5267716593 0.1566743118 -2.46878519 -2.43251467 -7.96239052 -6.36457356 -0.17533559 -1.27013683 -1.36631601 -5.30100056 -1.78598113 -2.44893384 -5.28897856 0.05250631 0.3860804 -1.27634925 7.10143656 1.243E-9 2.7789999999E-9 6.2139999999E-9 1.3899999999E-8 3.107E-8 6.948E-8 1.554E-7 3.4739999999E-7 7.768E-7 0.000001737 0.0000038839999999 0.000008685 0.00001942 0.00004342 0.000097099999999 75-35-4 6366 144207555 FNS 1,1-Dichloroethylene C=C(Cl)Cl Tox21_200357 -NCGC00258022-01 196715855 tox21-ror-cho-viability-p1 set2 4 0.53541506 2.03629041 1.78101286 2.26943228 1.69515214 4.72046704 0.62833535 1.01798134 -0.69644246 0.61322946 2.79107053 -1.78880621 1.86309932 4.74961977 1.10291899 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9579999999E-8 6.614E-8 1.479E-7 3.3069999999E-7 7.394E-7 0.0000016529999999 0.000003697 0.0000082669999999 0.000018489999999 0.00004134 0.00009243 63721-05-1 114129 144207666 BC A Methyl 3,3-dimethylpent-4-enoate CC(C)(C=C)CC(=O)OC Tox21_200468 -NCGC00258200-01 196716251 tox21-ror-cho-viability-p1 set2 4 -2.71777041 -1.30054509 1.22404989 -5.33532814 -0.23471696 -1.46943911 -2.75042037 -2.89000826 -10.6219966 -4.82468039 -1.7336966 -2.32124479 -3.01920663 -0.64974176 -1.55116567 1.2049999999E-9 2.694E-9 6.0249999999E-9 1.347E-8 3.012E-8 6.736E-8 1.506E-7 3.368E-7 7.5309999999E-7 0.0000016839999999 0.000003765 0.0000084199999999 0.000018829999999 0.0000421 0.00009413 3282-30-2 62493 144207844 D 2,2-Dimethylpropanoyl chloride CC(C)(C)C(Cl)=O Tox21_200646 -NCGC00258430-01 196716271 tox21-ror-cho-viability-p1 set2 -2.4 68.0319836447 -34.039531536 -1 -35.039531536 3.2474983358 0.9343843507 0.00003673 1.10351501 -2.17653598 -0.61131425 -0.73755524 1.3074575 -1.67619858 -0.53318609 -1.93136917 0.9688388 -3.38551345 -4.8242122 -0.69383671 -3.13487109 -6.02743121 -25.86627628 1.172E-9 2.621E-9 5.8609999999E-9 1.31E-8 2.9299999999E-8 6.552E-8 1.465E-7 3.276E-7 7.326E-7 0.0000016379999999 0.0000036629999999 0.00000819 0.00001831 0.00004095 0.000091569999999 2440-22-4 17113 144208074 A A 2-(2H-Benzotriazol-2-yl)-4-methylphenol Cc1cc(c(O)cc1)n2nc3ccccc3n2 Tox21_200876 -NCGC00167488-08 196716673 tox21-ror-cho-viability-p1 set2 -2.4 33.4914596268 -26.2697619199 -2 -28.2697619199 4.9549173134 0.8067896836 0.0069058702 -2.26678517 -11.40642411 -1.18844413 -3.53566512 -0.50640863 -2.88997213 0.35567371 -1.81954755 -1.01275825 -0.70738981 -0.97419381 -0.66587069 -1.75258955 -4.18263859 -23.9748016 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 475207-59-1 406563 170465175 A Sorafenib O=C(NC)c3cc(Oc2ccc(NC(=O)Nc1cc(c(Cl)cc1)C(F)(F)F)cc2)ccn3.O=S(=O)(O)c1ccc(C)cc1 Tox21_112489_1 -NCGC00256386-01 196719061 tox21-ror-cho-viability-p1 set2 -2.4 21.6899429044 -20.873363716 -1.5 -22.373363716 2.0478617061 0.8486479284 0.0023551663 -6.52945916 -0.34975594 -4.59983271 2.59650104 0.11668514 -4.27867993 -0.38877018 -3.95852226 -2.85557726 0.27300437 2.46040958 -6.46986641 -9.57771939 -17.69382654 -21.56113643 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 82-28-0 6702 144213281 A A 1-Amino-2-methylanthraquinone O=C3c1ccccc1C(=O)c2c3ccc(C)c2N Tox21_302964 -NCGC00260175-01 196724000 tox21-ror-cho-viability-p1 set3 -2.1 61.1927368097 -119.1828816776 3.1471001652 -116.0357815124 4.9549173134 0.9175290605 0.0001207464 -2.77459741 3.01193301 5.00374162 -5.27535105 0.98579923 -2.09576839 -2.9349426 -8.25057638 5.40727174 0.84562202 13.90582833 11.8676698 23.41783838 -10.48759839 -102.46616823 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.476E-7 3.302E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008254 0.00001846 0.00004127 0.000092279999999 70862-65-6 2775940 144209825 A A 1,3-Didecyl-2-methylimidazolium chloride [Cl-].CCCCCCCCCC[n+]1ccn(CCCCCCCCCC)c1C Tox21_202627 -NCGC00357049-01 196724008 tox21-ror-cho-viability-p1 set3 4 -0.62595445 -1.7256091 -2.27157386 2.30991295 4.80433415 -8.32047253 -1.05406532 0.27724192 -1.11274136 -1.75009611 -6.70634474 1.50579199 2.31345195 -0.36181728 4.31737511 6.96E-10 1.556E-9 3.48E-9 7.782E-9 1.7399999999E-8 3.8909999999E-8 8.6999999999E-8 1.945E-7 4.3499999999E-7 9.727E-7 0.000002175 0.0000048639999999 0.00001088 0.000024319999999 0.00005438 4390-04-9 20414 251919900 Fc 2,2,4,4,6,8,8-Heptamethylnonane CC(C)(C)CC(C)CC(C)(C)CC(C)(C)C Tox21_303743 -NCGC00253958-01 196719512 tox21-ror-cho-viability-p1 set3 -2.4 30.6378586933 -24.715355364 -2.5 -27.215355364 1.6266150999 0.6766041305 0.0493453229 -7.47733004 -10.72372113 3.02303245 0.05399817 -0.7376335 -4.56602306 2.05360512 -1.86793796 -1.50642586 -2.4358521 -5.46553065 -8.3285696 -2.02039686 -24.34612947 -21.49336596 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-05-0 8158 144210342 A A Nonanoic acid O=C(O)CCCCCCCC Tox21_300022 -NCGC00091902-08 196719071 tox21-ror-cho-viability-p1 set2 4 -0.00057601 -1.24945364 -0.44116618 3.29713102 -0.83402166 3.92487537 -0.1040941 3.9824733 -0.20869687 3.42034371 5.15840813 2.51848701 -0.9351936 1.17847836 -0.82887455 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00254541-01 196719508 tox21-ror-cho-viability-p1 set3 4 8.51450758 1.47623111 7.42424958 -0.80104719 -5.42375895 2.16861784 11.62538958 18.1528308 -6.47417609 11.00654054 15.33829736 13.5383001 6.74925768 12.52978207 7.0097865 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 319-85-7 727 144210941 A A beta-Hexachlorocyclohexane Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl Tox21_300624 -NCGC00254314-01 196719515 tox21-ror-cho-viability-p1 set3 4 0.0054482673 10.1336994999 -10.6336994999 -0.5 4.9549173134 0.716133847 0.0316047845 -6.44868058 -15.11141625 -3.99737077 -1.83757533 -1.90660215 -1.94269857 1.18333852 0.94591001 -0.44339594 -0.76573971 -1.07914918 -2.51412622 -1.95858979 0.23903957 3.19214942 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 53894-23-8 104635 144210956 AC Triisononyl trimellitate CC(C)CCCCCCOC(=O)c1cc(C(=O)OCCCCCCC(C)C)c(cc1)C(=O)OCCCCCCC(C)C Tox21_300639 -NCGC00254295-01 196719522 tox21-ror-cho-viability-p1 set3 -2.2 43.6192046887 -59.1087669787 -2.805920462 -61.9146874407 3.9899729863 0.9083625126 0.0002073469 -5.04444361 -8.39769912 1.26217185 3.1651079 2.01027747 0.3341376 -6.50021365 -6.60331705 -3.99875617 -8.36496071 -4.45672603 -6.23294173 3.95716868 -15.10793277 -54.10203594 8.9069999999E-10 1.9919999999E-9 4.453E-9 9.9579999999E-9 2.227E-8 4.979E-8 1.113E-7 2.4899999999E-7 5.5669999999E-7 0.000001245 0.000002783 0.000006224 0.000013919999999 0.00003112 0.00006959 19774-82-4 441325 144210713 A A Amiodarone hydrochloride Cl.CCN(CC)CCOc1c(I)cc(cc1I)C(=O)c2c3ccccc3oc2CCCC Tox21_300395 -NCGC00091426-02 196719931 tox21-ror-cho-viability-p1 set3 4 -3.73636408 -10.28849195 -0.37011065 2.32991366 -8.03464384 -5.29225157 2.61444801 2.13202914 2.05812193 -5.66932628 -1.48490658 -6.24967798 -0.17318434 -3.05496737 -1.02449252 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-01-6 7475 144213992 A A 4-Nitroaniline O=[N+]([O-])c1ccc(N)cc1 Tox21_400031 -NCGC00254702-01 196720334 tox21-ror-cho-viability-p1 set3 4 -0.53882165 2.93454502 8.06965234 3.25436376 6.71824304 8.09404723 -6.72245211 0.06014478 2.99506463 -0.68414535 3.12202162 0.82163948 0.23489623 3.30570323 4.19573959 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10052-47-8 82326 144211115 A N,N-Diethyl-N-methylethanaminium chloride [Cl-].CC[N+](C)(CC)CC Tox21_300798 -NCGC00254938-01 196720343 tox21-ror-cho-viability-p1 set3 4 38.8062454974 9.1122252639 -4.1122252639 5 1.0999999999 0.3694452037 0.304166383 -0.24431688 -6.57829523 -10.51018772 -6.59686194 -1.70026171 -2.18655098 -3.73970781 -4.39723787 -0.18389435 -2.49530014 -5.20227791 -2.70307596 -1.65105644 0.51657084 2.61131272 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 110-99-6 8088 144211353 A A Diglycolic acid O=C(O)COCC(=O)O Tox21_301036 -NCGC00255019-01 196720345 tox21-ror-cho-viability-p1 set3 4 10.8707224818 -12.4246502 6 -6.4246502 0.3 0.3509293598 0.3206331542 3.90694498 12.46018648 3.25726325 -3.6872085 4.8341682 3.60553551 5.2510937 4.27249506 3.81785642 0.09534649 -2.0646021 1.66714393 1.02411668 -1.42814681 -3.01987027 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33629-47-9 36565 144211437 A A Butralin [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1NC(C)CC)C(C)(C)C Tox21_301120 -NCGC00258416-01 196715583 tox21-ror-cho-viability-p1 set2 4 -0.21878636 2.24846513 -2.31935702 0.08581385 -0.55449475 -2.25310486 -0.38914959 0.26698034 -3.34103863 -3.32480514 0.1965421 -2.40868945 2.36998641 0.77698984 1.81083558 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.4729999999E-7 3.295E-7 7.367E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.000041179999999 0.00009209 144-02-5 23681217 144208060 A A Sodium barbital [Na+].CCC1(CC)C(=O)N=C([O-])NC1=O Tox21_200862 -NCGC00091775-03 196716000 tox21-ror-cho-viability-p1 set2 4 21.6899429044 -19.0283245199 4 -15.0283245199 1.111 0.9305886116 0.0000496899 2.31854568 7.38773359 4.35183738 3.06076371 2.98603159 3.08285873 3.1776971 4.419891 6.1567634 3.29605903 0.40736983 -0.11435591 -5.63725967 -7.94321323 -12.1069371 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00257586-01 196715587 tox21-ror-cho-viability-p1 set2 4 -1.83907547 0.40035825 -3.05877626 -3.93323177 -1.19784149 1.12584844 0.99202826 -2.45860949 -0.15179478 -2.24530724 0.87837914 -2.40398687 -2.45166292 1.46153008 0.38497181 1.1389999999E-9 2.5469999999E-9 5.6959999999E-9 1.2739999999E-8 2.8479999999E-8 6.368E-8 1.424E-7 3.184E-7 7.1199999999E-7 0.000001592 0.00000356 0.00000796 0.0000178 0.0000398 0.000089 479-13-0 5281707 144207230 A A Coumestrol Oc2cc3OC(=O)c1c4ccc(O)cc4oc1c3cc2 Tox21_200032 -NCGC00257901-01 196715594 tox21-ror-cho-viability-p1 set2 4 1.7281510263 8.597225088 -11.277906188 -2.6806811 0.7999999999 0.5397331734 0.1448527271 -7.28816326 -8.59327277 -15.23158849 -14.67052548 -10.64643569 -8.72979886 -9.42914981 -13.62025573 -6.19809822 -4.08000963 -8.65315798 -4.56826013 -1.62496791 -7.33829163 -0.56723425 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9569999999E-8 6.613E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003697 0.000008266 0.00001848 0.00004133 0.000092409999999 628-94-4 12364 144207545 A A Adipamide O=C(N)CCCCC(N)=O Tox21_200347 -NCGC00090721-03 196716008 tox21-ror-cho-viability-p1 set2 4 3.65705461 3.09671438 4.11115869 2.01799865 2.722495 -0.46324916 2.74462338 2.83291851 1.60709162 4.68174592 2.71971858 6.46661098 2.42352644 2.38061072 0.03581519 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-26-9 8041 144213999 A A N,N'-Methylenebisacrylamide C=CC(=O)NCNC(=O)C=C Tox21_400038 -NCGC00258233-01 196716418 tox21-ror-cho-viability-p1 set2 4 76.4113045955 -15.909479632 -1.5 -17.409479632 4.9549173134 0.6738297054 0.0514366941 -0.50447146 -3.54597109 -1.68379101 0.33580814 -5.48762243 -3.01454029 -2.20266603 -4.79139326 2.15375277 1.88559894 -1.00757619 -0.41856776 -1.8748927 -1.10930362 -13.67456636 1.173E-9 2.622E-9 5.864E-9 1.311E-8 2.9319999999E-8 6.5559999999E-8 1.466E-7 3.2779999999E-7 7.329E-7 0.0000016389999999 0.000003665 0.000008195 0.00001832 0.000040969999999 0.00009162 329-01-1 9483 144207877 D 1-Isocyanato-3-(trifluoromethyl)benzene O=C=N/c1cc(ccc1)C(F)(F)F Tox21_200679 -NCGC00258060-01 196716421 tox21-ror-cho-viability-p1 set2 -2.2 21.9328017871 -37.8378461072 -2 -39.8378461072 4.5044702849 0.9352481624 0.0000742149 -2.49955485 -0.91686523 -10.12928099 0.03074865 -3.11623948 -0.09507118 -3.27223014 -0.76632499 -0.47264149 -0.63644176 -2.67151007 -0.46735177 -14.4773628 -38.01565448 27.27932689 1.191E-9 2.6619999999E-9 5.953E-9 1.331E-8 2.976E-8 6.655E-8 1.4879999999E-7 3.3279999999E-7 7.441E-7 0.0000016639999999 0.00000372 0.000008319 0.0000186 0.00004159 0.00009301 95-71-6 7253 144207704 A A Methylhydroquinone Oc1ccc(O)c(C)c1 Tox21_200506 -NCGC00091044-02 196716820 tox21-ror-cho-viability-p1 set2 4 -2.44138232 1.39398534 -5.99623782 -5.30422313 -0.38300872 -4.50402584 -1.90162491 -3.59773869 -1.73696573 -2.827844 -0.34394374 -1.55648743 -0.05677431 1.04344608 0.65994782 1.133E-9 2.532E-9 5.6629999999E-9 1.2659999999E-8 2.8309999999E-8 6.331E-8 1.416E-7 3.1659999999E-7 7.0779999999E-7 0.000001583 0.000003539 0.0000079139999999 0.0000177 0.000039569999999 0.00008848 495-18-1 10313 144214021 A A N-Hydroxybenzamide O=C(NO)c1ccccc1 Tox21_400060 -NCGC00263583-01 196716831 tox21-ror-cho-viability-p1 set2 4 3.67759962 3.23287594 -1.77792907 3.56966944 0.29720497 3.15287578 5.97105156 1.07663867 -0.46494113 -0.55294543 2.93324237 -1.61949671 1.71777093 0.79657741 3.74113907 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 110221-44-8 443873 170465944 A Temocapril hydrochloride Cl.O=C(OCC)[C@@H](N[C@H]1CS[C@@H](CN(CC(=O)O)C1=O)c2cccs2)CCc3ccccc3 Tox21_112803_1 -NCGC00163157-05 196716835 tox21-ror-cho-viability-p1 set2 -3 33.4914596268 -56.5175938819 -2.471553994 -58.9891478759 4.9549173134 0.9629082902 0.0000016091 -0.5417248 -0.49193458 0.55791671 -2.46784143 -0.23512441 -8.05622331 -2.51161109 -1.27879341 -6.58538944 -0.99501085 -0.35583959 -3.0989087 -2.39913581 -7.93259843 -49.15762323 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5588-33-0 4078 170465272 A Mesoridazine CS(=O)c2cc3N(CCC1CCCCN1C)c4ccccc4Sc3cc2 Tox21_110052_1 -NCGC00160660-02 196716843 tox21-ror-cho-viability-p1 set2 4 5.20678438 1.74798979 0.12645666 0.31814063 0.90739669 0.79895984 2.76126934 4.06061053 -1.33612956 4.6975654 -1.03431271 -1.71596066 1.20961569 -0.04556511 -1.83992424 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 76894-77-4 53555 170466629 A Dazmegrel O=C(O)CCn3c1ccccc1c(Cn2ccnc2)c3C Tox21_111966_1 -NCGC00181297-01 196716844 tox21-ror-cho-viability-p1 set2 4 0.75759367 0.67934504 -5.06665472 0.76454002 -5.032895 -7.17602148 -4.23514103 -1.05708469 -5.03999575 0.42019742 1.02952354 0.9045041 1.62934193 0.5718171 1.17980239 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 78266-06-5 54158 144206328 A A Mebrofenin Cc1cc(C)c(Br)c(C)c1NC(=O)CN(CC(=O)O)CC(=O)O Tox21_112775 -NCGC00256465-01 196727368 tox21-ror-cho-viability-p1 set3 4 0.47561095 -3.90410567 -3.79341334 -0.59984567 0.67005013 -0.01871311 2.85962011 0.50422702 0.39912067 0.23479452 1.99316277 1.01839635 1.83569798 0.62249659 5.74619289 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52918-63-5 40585 144213326 A I Deltamethrin Br/C(Br)=C/[C@H]3[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc1ccccc1)c2)C3(C)C Tox21_303009 -NCGC00256797-01 196726944 tox21-ror-cho-viability-p1 set3 4 -0.20621008 0.78653505 0.20493529 0.37945117 1.78573427 4.97429151 -1.59982845 0.95552278 4.86182415 2.84731027 -0.3678244 2.91525233 4.59997978 4.9655522 4.40415257 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2638-94-0 92938 144212830 I I 4,4'-Diazene-1,2-diylbis(4-cyanopentanoic acid) O=C(O)CCC(C)(/N=N/C(C)(C#N)CCC(=O)O)C#N Tox21_302513 -NCGC00256524-01 196726956 tox21-ror-cho-viability-p1 set3 4 -0.05480477 -7.61313632 -4.88120397 -8.55788862 -3.82490821 -4.23957194 -5.11552407 -0.22211912 -8.49177207 -3.79093999 -3.13727243 0.51510319 -7.98498348 -7.30180936 -4.82958944 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2227-13-6 16685 144213301 A A Tetrasul Clc2cc(Sc1ccc(Cl)cc1)c(Cl)cc2Cl Tox21_302984 -NCGC00256781-01 196727360 tox21-ror-cho-viability-p1 set3 4 1.44378607 -0.95101619 1.15909807 -0.76934879 -0.88517581 1.48511637 0.75845607 -0.12124947 1.651338 0.19742216 4.03210015 -1.4377026 -0.03403925 0.63574695 1.09833773 2.916E-9 6.52E-9 1.4579999999E-8 3.2599999999E-8 7.29E-8 1.63E-7 3.6449999999E-7 8.1499999999E-7 0.0000018219999999 0.000004075 0.000009112 0.000020379999999 0.00004556 0.0001019 0.0002278 1322-17-4 234237 144212872 D F 1,3-Nonanediol monoacetate O=C(C)OCCC(O)CCCCCC Tox21_302555 -NCGC00257323-01 196727372 tox21-ror-cho-viability-p1 set3 4 27.3060203028 -9.257176648 0 -9.257176648 4.9549173134 0.7562411965 0.0238813617 -0.25017364 -1.91281838 -0.77951704 -1.08398351 1.20880732 -1.22180458 1.13363356 -0.92398048 -1.41293294 0 -0.2983993 2.24506514 0.99853685 -9.38098054 0.22366901 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 118-82-1 8372 144213871 A Ac 4,4'-Methylenebis(2,6-di-t-butylphenol) CC(C)(C)c1cc(cc(c1O)C(C)(C)C)Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C Tox21_303566 -NCGC00257025-01 196727779 tox21-ror-cho-viability-p1 set3 4 0.4327712569 -7.1044831319 4 -3.1044831319 4.9549173134 0.3410308269 0.3442241822 4.36673432 0.36521333 4.60483131 5.25942689 0.88344356 5.97255193 4.63777943 4.93569619 -8.45754283 1.03934829 -15.92040261 0.24543406 -1.02913399 4.3850125 0.65152232 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 110-98-5 8087 144213411 A A 1,1'-Oxybis-2-propanol CC(O)COCC(C)O Tox21_303094 -NCGC00257122-01 196727790 tox21-ror-cho-viability-p1 set3 -2.4 68.5896218971 -27.935595548 1 -26.935595548 4.9549173134 0.9740133249 2.164E-7 1.92028977 1.84635546 0.47038121 1.95566325 1.52202947 2.89037154 0.19472269 2.36993675 0.23855506 -0.31812934 0.30752159 0.35890099 0.60944341 -0.4927164 -21.61299629 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1067-53-4 14025 144213416 F F Tris(2-methoxyethoxy)vinylsilane COCCO[Si](OCCOC)(C=C)OCCOC Tox21_303099 -NCGC00255693-01 196728194 tox21-ror-cho-viability-p1 set3 4 1.28823362 17.29684527 17.60421967 4.23535402 9.34681878 5.06519157 28.19351554 8.5302289 2.93440532 12.77262874 7.4978912 23.81022058 2.70683004 8.30687794 4.33482355 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 533-23-3 10780 144212533 A F 2,4-D-ethyl ester Clc1cc(Cl)ccc1OCC(=O)OCC Tox21_302216 -NCGC00256279-01 196728195 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -50.0255051969 -3.8560877379 -53.8815929348 4.9549173134 0.7958328869 0.0086551267 3.16001748 -8.54609197 1.53221084 -9.30722561 -2.70947853 -9.04748896 -7.66768167 -10.64677994 -4.1164437 -5.04530596 -2.14640165 -5.94628563 8.8135814 -5.35563603 -44.74729598 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5495-84-1 79633 144211854 A A 2-(Propan-2-yl)-9H-thioxanthen-9-one CC(C)c1cc2C(=O)c3ccccc3Sc2cc1 Tox21_301537 -NCGC00260505-01 196724960 tox21-ror-cho-viability-p1 set3 4 43.0571658618 -24.2161812599 9 -15.2161812599 3.1319983358 0.6016483869 0.0956518217 -1.96181725 1.58616098 3.74696415 8.41183391 6.95070692 13.67684918 9.97691148 12.96199917 9.69349809 11.73082409 13.16990431 17.42702378 11.31335002 -3.72005541 -12.68015105 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003673 0.0000082119999999 0.000018359999999 0.00004106 0.000091819999999 4752-10-7 78490 144210157 C D 1,4-Dichlorophthalazine Clc2nnc(Cl)c1ccccc12 Tox21_202959 -NCGC00160537-04 196724538 tox21-ror-cho-viability-p1 set3 4 0.0015355304 15.066923004 -12.566923004 2.5 0.5 0.5860459401 0.1232776294 -8.80576917 -0.1388608 -1.22559963 -2.46333922 -1.63523675 -0.82774703 5.15522864 -0.76835112 -0.65849913 4.11117468 1.34145429 3.32252463 2.6612974 2.82056504 -1.66145008 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00356963-01 196724549 tox21-ror-cho-viability-p1 set3 4 0.0021689943 10.844098248 -10.844098248 0 4.4494702849 0.3346191888 0.3356345273 -10.28674854 -3.92214343 8.2469843 -6.45525123 -0.15336007 0.54844011 -4.82975514 6.00430305 -0.69749801 -1.3008795 2.35159696 -1.02939699 -4.77941624 0.94385703 -0.46867148 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-29-0 8882 251919700 Cyclopentene C1C=CCC1 Tox21_303765 -NCGC00254922-01 196719624 tox21-ror-cho-viability-p1 set3 -2.1 48.5577336745 -88.8307396436 -5.8502404279 -94.6809800715 2.2526478767 0.928495565 0.0000574263 -12.68431257 -16.92180535 -11.39754461 -3.93183738 -13.21506898 -7.31292301 -2.39727398 -2.12288173 -3.25745972 -0.60774611 -2.16646465 -0.16819515 -9.67996928 -45.82446654 -76.65225763 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-43-8 66030 144211337 CC 4-Dodecylphenol Oc1ccc(CCCCCCCCCCCC)cc1 Tox21_301020 -NCGC00255044-01 196719602 tox21-ror-cho-viability-p1 set3 4 16.8965743506 -17.157027304 11 -6.157027304 0.7999999999 0.420910366 0.6389241251 10.6486191 13.06045091 4.92717339 4.59750452 15.67266897 14.74053401 -32.45413391 11.64472088 8.48823215 16.86685201 -3.86504961 10.55386152 -1.80040558 4.34622906 -4.71418942 1.1609999999E-9 2.5959999999E-9 5.804E-9 1.298E-8 2.9019999999E-8 6.489E-8 1.451E-7 3.245E-7 7.255E-7 0.000001622 0.000003628 0.000008112 0.00001814 0.00004056 0.000090689999999 134605-64-4 11826859 144211463 A A Butafenacil O=C(OCC=C)C(C)(C)OC(=O)c1cc(ccc1Cl)N2C(=O)C=C(N(C)C2=O)C(F)(F)F Tox21_301146 -NCGC00254071-01 196719606 tox21-ror-cho-viability-p1 set3 -1.1 25.5111385207 -92.7675829558 1.5684882699 -91.1990946859 4.9549173134 0.9697081742 5.124E-7 7.31661933 -1.47508852 3.87461106 11.27477992 -1.26654139 -9.20001685 -6.98504191 -0.57867488 6.15882841 -0.42638015 2.25711856 4.48431191 -9.90724888 -85.08975043 -87.35545468 1.115E-9 2.493E-9 5.574E-9 1.246E-8 2.7869999999E-8 6.2319999999E-8 1.394E-7 3.1159999999E-7 6.9679999999E-7 0.000001558 0.000003484 0.00000779 0.00001742 0.00003895 0.000087099999999 NOCAS_47377 60196407 144210574 A A AVE6324 Cl.Clc1ccc(s1)c5onc(Cn3c4ccc(cc4cc3C(=O)NC2CCN(CC2)C(C)C)C(=O)O[C@@H](C)OC(=O)OCC)c5 Tox21_300254 -NCGC00255022-01 196719622 tox21-ror-cho-viability-p1 set3 4 12.59749709 -1.45230112 -0.18879903 1.05150335 12.1650071 -0.93941255 9.3909649 11.74982317 11.51833157 12.38328389 -6.23407235 9.57744235 7.07026225 3.29854794 0.72358365 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 106-02-5 235414 144211440 A Ac Pentadecan-15-olide O=C1CCCCCCCCCCCCCCO1 Tox21_301123 -NCGC00254382-01 196720026 tox21-ror-cho-viability-p1 set3 4 24.3365162115 -22.357406432 5 -17.357406432 0.9999999999 0.6780967368 0.0486316671 2.42043706 0.28199379 9.46228051 5.78612705 8.94116736 4.63600439 0.40059195 -0.11787905 8.27277024 10.90579952 1.66628846 -6.39765809 -3.55880264 -6.28078533 -14.46450536 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 402910-27-4 9969177 144210772 A A UK-416244 Cc1cc(ccc1SC)Oc2ccc(cc2CN(C)C)S(N)(=O)=O Tox21_300454 -NCGC00254740-01 196720041 tox21-ror-cho-viability-p1 set3 4 30.6378586933 -21.385552928 2 -19.385552928 3.1319983358 0.7545616918 0.0181720713 3.52505783 4.39343306 5.45347853 -2.43279255 -0.39567429 10.88628968 -2.47913699 3.53035427 -2.3147203 -1.27324206 2.63182414 -0.25484535 -0.57680383 -13.37898651 -18.65462744 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33956-49-9 1787910 144211153 FNS Codlelure C\C=C\C=C\CCCCCCCO Tox21_300836 -NCGC00254373-01 196720436 tox21-ror-cho-viability-p1 set3 4 -0.85468506 1.05373085 3.74800068 0.60418571 3.55565871 -2.24068574 2.04431519 1.56956974 1.54299288 -1.42052942 1.7417616 3.00661441 3.46241368 0.97275947 3.86673621 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 72-20-8 12358480 144210930 A A Endrin ClC1=C(Cl)[C@@]5(Cl)C(Cl)(Cl)[C@]1(Cl)[C@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@H]45 Tox21_300613 -NCGC00254062-01 196720858 tox21-ror-cho-viability-p1 set3 4 0.273060203 8.3374477319 -8.3374477319 0 4.9549173134 0.5501033541 0.1514990697 -1.82917867 -1.77913714 -9.19299423 -16.94787311 -7.34758844 -10.15350513 -9.84016635 -2.3292772 -0.71227988 -0.85144771 -0.16478806 -1.35735488 0.4442056 2.45394329 -11.28791429 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-71-8 7453 144210406 A A 4-(Butan-2-yl)phenol Oc1ccc(cc1)C(C)CC Tox21_300086 -NCGC00254927-01 196720861 tox21-ror-cho-viability-p1 set3 4 0.0030637859 19.5745438479 -16.0745438479 3.5 0.2 0.3761445366 0.2958951122 -8.02798515 -11.72878654 -0.4932193 2.3130171 -9.32582419 -6.20251566 1.56897632 -3.27684737 -2.21477291 -0.43305551 -3.36758896 2.13445743 -0.11614873 0.16606826 2.51263687 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 12771-68-5 25572 144211342 A A Ancymidol OC(C1CC1)(c2cncnc2)c3ccc(OC)cc3 Tox21_301025 -NCGC00259999-01 196721261 tox21-ror-cho-viability-p1 set3 4 58.0476251446 10.3882393079 -5.8882393079 4.5 3.2974983358 0.3723508061 0.300253491 -12.40686609 -6.17380992 -3.6572323 1.1067964 -4.34271662 -5.70780992 -5.20446921 -11.44826924 -6.07966159 -7.73733612 -4.94655375 -6.01163644 -5.44750322 -2.8463022 2.86190826 1.244E-9 2.782E-9 6.22E-9 1.391E-8 3.11E-8 6.954E-8 1.5549999999E-7 3.4769999999E-7 7.775E-7 0.000001739 0.000003888 0.000008693 0.00001944 0.00004346 0.00009719 110-91-8 8083 144209648 AC Ac Morpholine C1CNCCO1 Tox21_202450 -NCGC00254316-01 196720863 tox21-ror-cho-viability-p1 set3 4 0.1295116091 9.5378909599 -9.5378909599 0 3.0654483358 0.7158893506 0.0315243057 -10.4758416 -15.0315758 -7.95038389 -3.20132605 -7.6064609 -13.23452621 -2.64311347 -2.21047766 -0.15420551 0.92049444 0.79190385 -2.40909883 -1.59817774 1.60601036 1.51403278 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2058-94-8 77222 144210923 Perfluoroundecanoic acid FC(F)(C(F)(F)C(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_300606 -NCGC00163771-03 196721164 tox21-ror-cho-viability-p1 set3 4 68.5896218971 12.586833472 0.413166528 13 0.9999999999 0.5629717059 0.1271480166 0.39200933 -1.14191735 2.84028857 -1.7110198 1.68688386 2.81452032 -1.40455513 1.96555767 -2.15569456 3.30205794 0.85978978 3.43598892 0.00333293 4.33862585 9.83037653 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00254111-01 196720768 tox21-ror-cho-viability-p1 set3 4 0.061990886 6.008350588 0.991649412 7 0.9999999999 0.3818533551 0.2909308697 1.46733488 -1.67362549 0.05527909 7.41006414 -1.46614115 3.83910243 0.45919821 7.7846872 2.02611982 6.76687021 7.21950088 9.40574044 9.61506407 0.90630162 7.47041169 2.831E-10 6.331E-10 1.4159999999E-9 3.166E-9 7.078E-9 1.583E-8 3.5389999999E-8 7.9139999999E-8 1.7699999999E-7 3.957E-7 8.848E-7 0.000001978 0.000004424 0.000009892 0.00002212 NOCAS_47383 60196409 144210576 A A AVE3247 [Na+].Clc1ccc(s1)c6onc(Cn4c5ccc(cc5nc4C(=O)NC2CCN(CC2)C3CC3)C([O-])=O)c6 Tox21_300256 -NCGC00259432-01 196721158 tox21-ror-cho-viability-p1 set3 -3 69.3576091162 -49.4454985395 -4.6061565149 -54.0516550544 3.9899729863 0.8163377506 0.0055352863 -2.23940977 -1.13264894 -11.53052294 -2.95733165 -8.6353403 -8.56765004 -9.45558726 -8.93461281 -0.29267293 -1.51290699 -6.90158263 -13.30812674 -7.84938057 -7.74164228 -42.84216292 1.191E-9 2.664E-9 5.9569999999E-9 1.332E-8 2.979E-8 6.66E-8 1.489E-7 3.33E-7 7.446E-7 0.000001665 0.0000037229999999 0.0000083249999999 0.00001862 0.00004163 0.00009308 694-83-7 4610 144209081 A F 1,2-Cyclohexanediamine NC1CCCCC1N Tox21_201883 -NCGC00259808-01 196721161 tox21-ror-cho-viability-p1 set3 -1.1 2.1579701846 -91.1831107475 -1.972376922 -93.1554876695 1.34431 0.9810759375 3.45E-8 3.39485974 -1.6347153 -3.57765764 -1.33363146 -2.12917667 0.91929718 -1.01705142 -21.69996809 -18.81069293 -35.24571264 -61.38601182 -91.32890948 -84.93623744 -90.64499184 -88.73923718 1.175E-9 2.628E-9 5.877E-9 1.314E-8 2.9389999999E-8 6.571E-8 1.469E-7 3.2859999999E-7 7.347E-7 0.000001643 0.000003673 0.000008214 0.00001837 0.00004107 0.00009183 7487-94-7 5284416 144209457 Mercuric chloride [Hg+2].[Cl-].[Cl-] Tox21_202259 -NCGC00259959-01 196721573 tox21-ror-cho-viability-p1 set3 4 -1.71113884 -2.38723617 2.52161337 -8.38113261 -4.88360755 -3.49837406 -5.90966935 0.88529662 -4.00519105 -3.89877435 -4.77552864 -1.99166692 -3.54889452 1.1462568 -1.61849362 1.172E-9 2.622E-9 5.862E-9 1.311E-8 2.931E-8 6.554E-8 1.466E-7 3.277E-7 7.328E-7 0.0000016389999999 0.000003664 0.000008193 0.00001832 0.00004096 0.000091599999999 2778-42-9 17719 144209608 F 1,3-Bis(2-isocyanatopropan-2-yl)benzene CC(C)(\N=C=O)c1cccc(c1)C(C)(C)/N=C=O Tox21_202410 -NCGC00090773-04 196721963 tox21-ror-cho-viability-p1 set3 4 -5.80902517 -3.38049309 -7.51739927 2.706872 -6.17042739 -10.23893796 -13.05513994 -13.95288929 -11.48174128 -4.18068921 -1.0053105 -5.55477488 -8.48637413 1.73579008 0.12041391 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 4376-20-9 20393 144214037 A A MEHP O=C(O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400076 -NCGC00257047-01 196718684 tox21-ror-cho-viability-p1 set2 4 -1.7318704 -0.60082973 -1.94540958 -10.64700556 -6.65497048 -12.53132023 2.47744942 -0.2968749 -1.76307517 -1.70463507 -18.19048723 4.57478719 2.37022528 1.77967086 -0.6678221 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 115-95-7 8294 144213451 B Ac Linalyl acetate O=C(C)OC(C)(CC\C=C(\C)C)C=C Tox21_303134 -NCGC00090885-03 196718676 tox21-ror-cho-viability-p1 set2 4 -0.51701745 -0.27070672 1.72759671 0.57048509 0.60855497 0.42130105 -5.90940826 -1.13397528 -4.52815988 -0.33672746 -1.51792078 2.64386522 2.97021314 1.52794288 -0.50772757 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00091284-03 196718677 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -9.40140374 2.5 -6.90140374 4.0949729863 0.536837421 0.1500322744 0.17397054 1.97797585 1.0190818 3.70084349 0.73440566 3.47794955 0.80373866 4.90024402 5.86341076 3.18419678 3.92904672 0.51486292 0.5458441 1.48338909 -4.91783645 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00256846-01 196718679 tox21-ror-cho-viability-p1 set2 4 0.4180369 -0.28477278 1.49556311 0.73003976 1.61937737 1.01532398 0.47357827 3.89879746 3.69011967 0.23377684 4.11786694 2.64960144 0.5470622 -5.80775852 -0.85440642 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 698-76-0 12777 144213016 Cc D delta-Octanolactone CCCC1CCCC(=O)O1 Tox21_302699 -NCGC00256999-01 196719085 tox21-ror-cho-viability-p1 set2 4 1.27969462 -5.87488781 1.56842966 -4.02929305 -3.64071505 -7.64481929 -3.85854366 -5.33429728 -5.45583924 -2.70313443 1.86776717 -3.39876775 -5.68666082 -4.30497664 -4.65199489 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 13593-03-8 26124 144213587 A B Quinalphos CCOP(=S)(OCC)Oc1cnc2ccccc2n1 Tox21_303270 -NCGC00257178-01 196719098 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -10.240461308 1.5 -8.740461308 4.9549173134 0.3830797678 0.2907760246 2.37418956 1.49802326 3.85075925 -4.31801861 2.14688094 4.47153234 0.23914803 2.89032591 2.73595273 2.44795849 3.08612415 -4.96928162 0.63855439 1.5015166 -6.86705109 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 298-07-7 9275 144213404 F A Bis(2-ethylhexyl) phosphate CCCCC(COP(O)(=O)OCC(CC)CCCC)CC Tox21_303087 -NCGC00016479-11 196718074 tox21-ror-cho-viability-p1 set2 4 1.1883218301 11.969124076 -6.969124076 5 0.3 0.5424785107 0.1430785462 -10.39093673 -3.49107205 0.03613898 -6.92608534 -5.84249163 -6.01618627 -0.83246219 -2.92483138 -3.05748562 0.95490239 -0.28237144 -2.26081884 -1.26734014 2.86559059 3.09229126 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 519-37-9 1892 170466156 A Etofylline O=C2c1n(cnc1N(C)C(=O)N2C)CCO Tox21_110447_1 -NCGC00015150-04 196717654 tox21-ror-cho-viability-p1 set2 4 4.08790606 0.66967268 1.28146495 2.02232417 3.86061057 4.72277055 5.31949874 2.78822785 2.11857999 4.32347056 2.558066 4.98903831 2.48971096 0.60879694 3.34736963 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 590-46-5 11545 170464844 F Betaine [Cl-].C[N+](C)(C)CC(=O)O Tox21_111373_1 -NCGC00181000-02 196717658 tox21-ror-cho-viability-p1 set2 4 0.31743417 1.98822556 1.90240562 4.68054423 6.14033224 7.79584811 4.54812492 3.18501018 2.00585643 4.08547819 4.551729 4.89370221 0.5921865 3.42614226 3.66677397 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94055-76-2 71773 170465881 B Suplatast tosylate Cc1ccc(cc1)S(=O)([O-])=O.C[S+](C)CCC(=O)Nc1ccc(OCC(O)COCC)cc1 Tox21_112652_1 -NCGC00168267-02 196718069 tox21-ror-cho-viability-p1 set2 4 -1.52621222 -7.84320892 -3.56708717 -5.59786505 -4.46162394 2.56131431 -4.20111693 -1.29812784 -0.08681303 -1.30843437 -4.180311 -4.38206018 1.64451356 -4.37458396 1.75089914 1.328E-9 2.9689999999E-9 6.639E-9 1.4849999999E-8 3.3189999999E-8 7.423E-8 1.66E-7 3.711E-7 8.2989999999E-7 0.000001856 0.000004149 0.000009278 0.00002075 0.00004639 0.0001037 50505-92-5 60196332 144206427 A A R-(-)-2,5-Dimethoxy-4-bromoamphetamine hydrochloride Cl.COc1cc(C[C@@H](C)N)c(cc1Br)OC Tox21_112874 -NCGC00256369-01 196718081 tox21-ror-cho-viability-p1 set2 4 -4.33487523 -0.93937216 -1.03231444 -3.02988333 -6.08448802 -4.68349497 -0.08461423 0.26372952 -9.09564515 -0.45936279 -1.62270862 -0.17416342 -1.73176762 -1.01737204 -2.94242156 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-18-4 7285 144213280 Ac 1,2,3-Trichloropropane ClCC(Cl)CCl Tox21_302963 -NCGC00257074-01 196718092 tox21-ror-cho-viability-p1 set2 4 1.61863554 2.2198965 0.93033869 1.74305347 1.20068569 -0.58542145 -1.44586949 -0.84896789 -0.24887866 -7.66054337 3.94405608 5.14971368 1.45434889 3.92456786 -0.12166286 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 1571-08-0 15294 144213619 A F Methyl 4-formylbenzoate COC(=O)c1ccc(cc1)C=O Tox21_303302 -NCGC00256668-01 196718483 tox21-ror-cho-viability-p1 set2 4 -2.5919071 1.27388759 -1.95596886 0.9750213 -3.05903186 -3.49991081 -11.19869878 0.18180307 -0.20544571 -5.86729706 -0.12897743 -0.66214161 -2.85391987 -1.27088767 0.60434165 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13494-07-0 61634 144212882 A F 3,5-Dimethyl-1,2-cyclopentanedione O=C1C(=O)C(C)CC1C Tox21_302565 -NCGC00257038-01 196718492 tox21-ror-cho-viability-p1 set2 4 0.33139725 -1.12579587 -2.68511193 0.3718847 -6.43849712 -6.47995429 -2.75263285 -0.82569905 0.98139912 -5.44898461 -2.73181809 3.86905343 -0.46381316 -0.26114218 -4.11766614 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-44-1 7050 144213602 A A 7-Diethylamino-4-methylcoumarin CCN(CC)c1ccc2c(c1)OC(=O)C=C2C Tox21_303285 -NCGC00257182-01 196718105 tox21-ror-cho-viability-p1 set2 4 0.44544299 0.73981168 0.43344029 1.10145838 -0.11594209 3.66094488 0.03267776 5.75163821 6.4295117 4.09205361 6.97660966 -2.57214567 0.1431194 1.17201997 0.04468441 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 372-09-8 9740 144213472 A A Cyanoacetic acid N#CCC(=O)O Tox21_303155 -NCGC00263540-01 196717692 tox21-ror-cho-viability-p1 set2 4 14.9600854925 -13.300748508 2 -11.300748508 1.0999999999 0.8094578408 0.0066087751 1.20122766 2.77268033 2.33931873 -0.63602383 4.06537655 1.33498741 3.60848304 2.58249153 0.58113603 1.62572752 -1.37307934 -1.56238846 0.29739859 -7.20997166 -8.58395709 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 65576-45-6 3036780 170465569 A Asenapine Clc1cc3c(cc1)Oc2ccccc2[C@@H]4CN(C)C[C@@H]34 Tox21_113596_1 -NCGC00257326-01 196718099 tox21-ror-cho-viability-p1 set2 -2.4 30.6378586933 -19.902278556 -1.5 -21.402278556 2.2481167061 0.8711997988 0.0011141878 0.05662797 -3.11624888 -1.5955021 1.20620227 -3.24508017 -0.69794111 -6.80774612 -1.37802184 1.00305919 -2.24305519 0.26372501 -0.29508088 -8.34091867 -13.32705192 -20.33523213 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_48507 60196436 144213661 A A PharmaGSID_48507 Cl.CC(C)(O)CNc1ncc3c(n1)N(C)C(=O)C=C3Oc2ccc(F)cc2F Tox21_303344 -NCGC00257058-01 196718102 tox21-ror-cho-viability-p1 set2 4 1.31624077 -0.0351821 0.03026381 -0.17204157 -0.79229151 -9.8847241 -4.29714648 -0.39722546 -7.46890773 -0.71730967 -1.23283123 3.70723893 1.03523486 1.95717033 0.54122511 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-96-7 135 144213618 A A 4-Hydroxybenzoic acid OC(=O)c1ccc(O)cc1 Tox21_303301 -NCGC00256575-01 196718109 tox21-ror-cho-viability-p1 set2 -2.4 27.3060203028 -29.88243594 1.5 -28.38243594 2.09374246 0.9701702542 4.717E-7 -0.27757014 0.76804754 0.82553929 -0.048837 0.92778348 4.05855878 0.10883726 3.34669105 2.92416552 0.35412194 2.60554021 0.05488197 -8.96599979 -18.08580145 -28.65202995 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33229-34-4 36383 144213264 A A HC Blue 2 OCCN(CCO)c1ccc(NCCO)c(c1)[N+]([O-])=O Tox21_302947 -NCGC00255478-01 196729020 tox21-ror-cho-viability-p1 set3 4 -1.31161338 -4.82797844 -3.65961481 4.23615153 -3.00331231 6.21981824 6.59509983 4.82608185 3.74020214 5.25653144 -2.66897182 2.28553784 2.41132273 -6.37914078 -6.53504471 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3572-06-3 19137 144211948 A A 4-(4-(Acetyloxy)phenyl)-2-butanone O=C(C)Oc1ccc(cc1)CCC(C)=O Tox21_301631 -NCGC00255923-01 196728610 tox21-ror-cho-viability-p1 set3 4 1.14661471 -1.06955802 -3.09716195 3.82183606 -0.07530078 -4.71916376 1.36227692 5.00101481 2.91571866 -2.92133415 1.35709533 0.46873786 0.60778764 -1.93709828 6.08900187 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 2756-56-1 23617864 144211661 A Ac Isobornyl propanoate CCC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C Tox21_301344 -NCGC00255321-01 196729030 tox21-ror-cho-viability-p1 set3 4 3.4376242854 11.112238344 -5.612238344 5.5 3.0654483358 0.4633219421 0.2117425808 0.6857666 -3.01207169 -11.16072419 -7.35471492 -11.76019862 -8.09299796 2.88972215 -7.61997802 -8.92645469 0.90167557 -3.98200223 15.72233803 2.31400672 3.67904275 2.41337574 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 566-48-3 11273 144212603 A A 4-Hydroxyandrostenedione O=C2CC[C@H]3[C@@H]4CCC1=C(O)C(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_302286 -NCGC00255842-01 196729032 tox21-ror-cho-viability-p1 set3 4 4.91983103 -0.56718263 2.23573255 -1.78406087 2.24274872 1.43307702 0.97717924 2.58991678 1.62961091 2.06397712 2.06074714 0.24433608 0.88764814 0.50313173 5.12315535 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 71526-07-3 3482402 144212574 A A MON-4660 ClC(Cl)C(=O)N2CCOC12CCCCC1 Tox21_302257 -NCGC00163930-04 196729037 tox21-ror-cho-viability-p1 set3 4 2.7681835 3.16857864 -0.18847033 -0.47208716 0.2221243 -0.46211043 -0.02762448 -4.54137978 -3.45066165 -4.41407633 -0.10185923 -3.09959769 -3.40096858 -0.95627762 3.511339 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 87820-88-0 91746 144213962 I A Tralkoxydim CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C Tox21_400001 -NCGC00257631-01 196729437 tox21-ror-cho-viability-p1 set3 4 4.2003974717 -7.039398492 2.5 -4.539398492 2.2481167061 0.7078570819 0.0352703155 -0.30168577 4.70301642 1.02315119 0.72136833 4.45641378 2.51206743 0.81063519 3.14650006 3.78788804 2.63271438 -1.73643912 -0.7008253 -7.11616541 -5.55140821 -2.34793341 1.1509999999E-9 2.5739999999E-9 5.7559999999E-9 1.2869999999E-8 2.878E-8 6.435E-8 1.4389999999E-7 3.217E-7 7.194E-7 0.000001609 0.0000035969999999 0.000008044 0.00001799 0.00004022 0.00008993 107-45-9 61017 144207275 FNS 2,4,4-Trimethyl-2-pentanamine CC(C)(C)CC(C)(C)N Tox21_200077 -NCGC00258248-01 196729442 tox21-ror-cho-viability-p1 set3 4 10.8486162851 -8.346131428 0.5 -7.846131428 2.2526478767 0.7991695441 0.0116256136 -0.26045214 0.7309412 -0.02560737 -0.14352962 -0.77968553 0.57914355 0.22769206 0.51897556 4.5439418 -1.18578266 0.32562746 -2.31451103 -5.90816961 -7.37177619 -0.95016236 1.1779999999E-9 2.633E-9 5.889E-9 1.3169999999E-8 2.944E-8 6.584E-8 1.472E-7 3.2919999999E-7 7.3609999999E-7 0.0000016459999999 0.00000368 0.00000823 0.000018399999999 0.00004115 0.00009201 923-26-2 13539 144207892 D 2-Hydroxypropyl 2-methylacrylate CC(=C)C(=O)OCC(C)O Tox21_200694 -NCGC00258156-01 196729455 tox21-ror-cho-viability-p1 set3 4 1.95148129 -2.03178077 1.68359307 0.71347691 0.60649353 3.01299251 -3.43445717 1.1161722 1.85576835 0.70433671 1.67439983 -2.108815 0.33367366 0.30303892 0.47222947 1.185E-9 2.649E-9 5.923E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 85100-78-3 2734237 144207800 A A 1-Hexyl-3-methylimidazolium bromide [Br-].C[n+]1ccn(CCCCCC)c1 Tox21_200602 -NCGC00258011-01 196729456 tox21-ror-cho-viability-p1 set3 4 -3.52120291 -4.39421693 -3.27238556 -2.6359975 -1.92052061 -3.06468917 -3.40419943 -1.95701337 -0.06010177 3.51369954 0.63084494 2.34512962 -1.44662334 -0.8768924 0.07398807 1.1469999999E-9 2.564E-9 5.734E-9 1.282E-8 2.867E-8 6.411E-8 1.434E-7 3.205E-7 7.168E-7 0.000001603 0.000003584 0.0000080139999999 0.00001792 0.00004007 0.00008959 2687-25-4 17593 144207655 A D 2,3-Diaminotoluene Cc1cccc(N)c1N Tox21_200457 -NCGC00183859-01 196726215 tox21-ror-cho-viability-p1 set3 4 4.62303127 3.41972399 1.33564579 0.38548841 -2.39469682 -2.24118789 -0.81707182 1.19854802 0.53208662 4.58502106 4.94510087 7.4929608 -2.12099989 0.99249703 1.68487805 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4630-95-9 20749 144206846 A A Prifinium bromide [Br-].CC[N+]3(CC)CC/C(=C(\c1ccccc1)c2ccccc2)C3C Tox21_113295 -NCGC00015074-14 196725790 tox21-ror-cho-viability-p1 set3 4 1.18086181 1.74711648 1.74073274 -1.49424476 1.64592846 -0.35797477 3.8072776 4.46858939 -0.01862713 1.13480416 2.36821635 1.33563121 2.52156981 2.78953822 -0.13604898 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-66-5 1986 170464692 A Acetazolamide O=S(N)(=O)c1nnc(NC(C)=O)s1 Tox21_110078_1 -NCGC00018301-05 196725795 tox21-ror-cho-viability-p1 set3 -2.1 23.7101376556 -110.9372399439 0.3356256339 -110.60161431 1.6258976909 0.9803666776 4.27E-8 7.85464191 -0.64979354 6.51399138 -0.41892087 0.02338169 -1.93062403 -2.75832812 -0.63526003 -5.78973302 -3.39672275 -0.8732914 -4.2481181 -20.19099147 -49.20660611 -83.78910175 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54767-75-8 5354 170466521 Ac Suloctdil CC(C)Sc1ccc(cc1)C(O)C(C)NCCCCCCCC Tox21_110858_1 -NCGC00257772-01 196723718 tox21-ror-cho-viability-p1 set3 4 -8.94315521 -0.92843646 -5.23978064 -9.00734622 -2.25819661 0.07548316 -8.94327017 3.43134125 -5.47210651 -8.00158097 -0.06284645 3.30668473 -5.6003413 -6.71653975 -2.48104275 1.154E-9 2.5799999999E-9 5.7679999999E-9 1.29E-8 2.884E-8 6.449E-8 1.4419999999E-7 3.225E-7 7.21E-7 0.000001612 0.000003605 0.000008061 0.00001803 0.00004031 0.000090129999999 3018-12-0 18177 144207416 B Dichloroacetonitrile ClC(Cl)C#N Tox21_200218 -NCGC00181916-01 196723303 tox21-ror-cho-viability-p1 set3 4 -1.4711593 -2.25314163 -2.09789391 -0.65145858 0.19940284 -0.31589584 0.0811684 2.15277588 -3.56206596 4.92235562 -8.90811982 3.26162305 -2.51922128 -10.04253593 4.29268046 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 963-14-4 13755 144206640 A A Sulfaethoxypyridazine O=S(=O)(Nc1ccc(OCC)nn1)c2ccc(N)cc2 Tox21_113089 -NCGC00015833-15 196723308 tox21-ror-cho-viability-p1 set3 4 0.1883363179 10.1108433039 -0.6108433039 9.5 4.9549173134 0.6325169071 0.0749516634 -2.59236942 0.45327508 0.72738701 1.01145782 -1.31216798 -0.44638944 -0.76533699 1.38247322 13.93654153 6.66059184 15.28364334 5.54745879 0.50059732 15.03287085 9.72063637 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98-96-4 1046 170464703 F Pyrazinamide NC(=O)c1cnccn1 Tox21_110237_1 -NCGC00163157-05 196723310 tox21-ror-cho-viability-p1 set3 -3 29.8492948118 -49.2214921959 0.9819953619 -48.239496834 4.5044702849 0.8998057781 0.00032527 0.97829811 -1.99050739 -0.34290725 -0.52681897 0.56286628 1.24249322 1.10204817 7.86469828 2.77082375 6.61581215 0.02941259 1.25284665 -9.03240969 -5.45641816 -42.3153481 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5588-33-0 4078 170465272 A Mesoridazine CS(=O)c2cc3N(CCC1CCCCN1C)c4ccccc4Sc3cc2 Tox21_110052_1 -NCGC00260673-01 196724126 tox21-ror-cho-viability-p1 set3 4 0.0008628761 10.981867048 -10.981867048 0 4.9549173134 0.4580974348 0.2186070099 -9.56822254 -1.21730424 3.0740438 -6.39172872 0.07954311 -3.9127626 3.40528776 2.45838089 -2.66804242 0.16465191 2.40038188 0.47693576 0.6349083 2.0870594 -1.22089165 6.0249999999E-10 1.347E-9 3.012E-9 6.736E-9 1.506E-8 3.368E-8 7.531E-8 1.684E-7 3.7659999999E-7 8.4199999999E-7 0.000001883 0.0000042099999999 0.000009414 0.00002105 0.000047069999999 538-41-0 10855 144209784 A A 4,4'-Diaminoazobenzene Nc2ccc(/N=N/c1ccc(N)cc1)cc2 Tox21_202586 -NCGC00356960-01 196724130 tox21-ror-cho-viability-p1 set3 4 21.6899429044 10.514349932 -2.014349932 8.5 0.7999999999 0.4158136225 0.2580270598 -3.96196443 6.35285108 -2.65523223 -8.34529161 -0.51087469 -2.06381423 -3.3248552 -3.55311846 -0.21531757 -2.48912555 0.59726202 4.352154 -0.3751096 5.30859001 6.1790283 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1656-48-0 15452 251919781 A 3,3'-Oxydipropionitrile N#CCCOCCC#N Tox21_303726 -NCGC00096014-03 196697980 tox21-ror-cho-viability-p1 set1 4 -3.61118101 -3.95133405 -2.35869523 0.22396424 -4.26790605 -5.06427359 0.46859005 -1.2476 0.3121653 2.39082306 0.34811001 -2.15403615 1.6990386 1.93505352 -1.49370258 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 552-94-3 5161 170465545 A Salsalate O=C(Oc1ccccc1C(=O)O)c2ccccc2O Tox21_111548_1 -NCGC00260534-01 196724135 tox21-ror-cho-viability-p1 set3 -3 79.5486769909 -34.85006986 -4 -38.85006986 4.9549173134 0.7089674843 0.0342082654 -4.83209449 -5.30886466 -0.39278416 -7.56181352 -2.31353529 3.25815462 -4.20581589 -1.4899458 -13.74823335 -8.90331393 -6.81033235 0.41242985 -4.16189421 -0.49971465 -30.70839155 1.213E-9 2.713E-9 6.067E-9 1.357E-8 3.034E-8 6.7829999999E-8 1.517E-7 3.3919999999E-7 7.5839999999E-7 0.000001696 0.0000037919999999 0.000008479 0.00001896 0.000042399999999 0.000094799999999 98-29-3 7381 144210187 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_202989 -NCGC00260141-01 196724145 tox21-ror-cho-viability-p1 set3 4 0.1060385749 6.4618995639 -5.9618995639 0.5 4.9549173134 0.4521887919 0.2229190189 -7.2606905 -8.84725381 -7.52045536 3.94881301 -5.49628668 -9.55158297 -6.26793499 1.63332345 -4.20933061 2.21521129 5.87008755 -0.81562654 1.61784758 -1.74445015 0.96562991 5.905E-10 1.32E-9 2.952E-9 6.601E-9 1.476E-8 3.3009999999E-8 7.381E-8 1.65E-7 3.69E-7 8.252E-7 0.000001845 0.000004126 0.000009226 0.000020629999999 0.00004613 13927-77-0 4523766 144209791 Fc Nickel dibutyldithiocarbamate S=C(S[Ni]SC(=S)N(CCCC)CCCC)N(CCCC)CCCC Tox21_202593 -NCGC00185774-02 196697979 tox21-ror-cho-viability-p1 set1 4 0.07208869 0.54562966 0.12777954 3.04118117 2.38117903 1.19133796 0.04008655 -2.99966963 -2.39547265 -2.12033042 3.08372785 1.01140778 -1.15348981 1.34081495 3.11468557 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84611-23-4 65632 170465586 A Erdosteine O=C1SCCC1NC(=O)CSCC(=O)O Tox21_113176_1 -NCGC00160645-02 196697982 tox21-ror-cho-viability-p1 set1 4 -1.80116118 -0.82960358 1.27857704 0.65128972 1.50270952 1.00245737 0.14180558 -1.97318313 1.30507826 -4.00560266 -2.86919696 -4.36857059 -4.18664238 1.27745909 1.30321295 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 18109-81-4 28891 170466404 A Butamirate citrate CCC(C(=O)OCCOCCN(CC)CC)c1ccccc1.O=C(O)C(O)(CC(=O)O)CC(=O)O Tox21_111952_1 -NCGC00167493-04 196698388 tox21-ror-cho-viability-p1 set1 -2.4 33.4914596268 -26.853487264 -1.5 -28.353487264 4.9549173134 0.8539749036 0.0020025273 -0.66914103 -0.01246403 -4.81060393 1.00532611 -2.6113507 -3.59265122 1.30720849 -1.58115771 -2.78547631 -2.94885805 -6.56281799 0.61434113 -1.86592658 -0.59682814 -24.04457272 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 89226-75-5 150762 170465961 A Manidipine Cl.Cl.[O-][N+](=O)c1cccc(c1)C2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OCCN3CCN(CC3)C(c4ccccc4)c5ccccc5 Tox21_112494_1 -NCGC00160388-04 196723615 tox21-ror-cho-viability-p1 set3 4 0.0375780358 -7.4675616519 -0.5 -7.9675616519 3.9899729863 0.618246845 0.0847563159 1.53175361 -4.50600234 -1.23571547 0.65607575 -0.21132891 -2.6475166 -10.68571892 -12.88963471 -1.64803954 -9.92598755 -7.53578544 -6.88857087 -7.51618558 -9.70044165 -5.99845419 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67121-76-0 49381 170466413 A Fluperlapine CN1CCN(CC1)C2=Nc4cc(F)ccc4Cc3ccccc23 Tox21_111780_1 -NCGC00090776-02 196723198 tox21-ror-cho-viability-p1 set3 4 0.3374794664 4.468900736 -0.968900736 3.5 3.5117481694 0.3768691757 0.2960855093 -0.63629726 -0.5237657 -1.17400277 -1.2194652 -1.75608842 -0.9019977 -1.51156175 -0.25503412 8.15121952 8.32716863 -4.55741728 3.25147926 5.76424672 1.70317873 2.66836941 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00164589-02 196723611 tox21-ror-cho-viability-p1 set3 4 -0.63623747 5.39175207 -0.05221256 0.20806812 -1.14783677 2.21937478 1.30024417 2.01592863 0.0035639 12.57950672 9.88101134 1.53084518 -0.99996488 -0.84758955 6.06644548 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 673-31-4 4770 170465902 A Phenprobamate NC(=O)OCCCc1ccccc1 Tox21_112215_1 -NCGC00164535-02 196723612 tox21-ror-cho-viability-p1 set3 4 0.0007497804 -28.5544891159 26 -2.5544891159 4.9549173134 0.640785726 0.0696654876 19.7724656 -0.68291075 -3.51293124 -1.35494057 -1.36622502 -4.00547062 -0.08777265 -2.09714829 0.00310734 -3.4076846 -6.1230596 -6.64264403 -10.87874093 -5.58960502 9.14342349 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1707-14-8 92159 170465166 Z Phenmetrazine hydrochloride Cl.CC2NCCOC2c1ccccc1 Tox21_112166_1 -NCGC00257773-01 196724027 tox21-ror-cho-viability-p1 set3 -2.1 61.130564862 -97.3217058213 -4.141029997 -101.4627358183 3.1924983358 0.9514194062 0.000007176 -9.66153057 -2.58227962 -9.65894965 -3.32312874 -2.04100928 0.77014724 -1.87956511 5.37792435 0.49499733 -10.86883537 -7.84125123 -3.41945566 -10.63400357 -24.34175971 -81.03237562 1.18E-9 2.6389999999E-9 5.9E-9 1.319E-8 2.9499999999E-8 6.597E-8 1.475E-7 3.2979999999E-7 7.375E-7 0.000001649 0.000003688 0.000008246 0.00001844 0.000041229999999 0.00009219 538-71-6 10866 144207417 A A Domiphen bromide [Br-].CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 Tox21_200219 -NCGC00260544-01 196724030 tox21-ror-cho-viability-p1 set3 4 4.49782644 -1.2440747 2.6488632 -1.9390232 0.37409607 3.17494199 5.51561816 1.4508501 1.01316399 -4.38092249 -2.66880856 5.56709268 1.67321182 6.37023449 -4.6456919 5.9139999999E-10 1.322E-9 2.957E-9 6.612E-9 1.4779999999E-8 3.306E-8 7.392E-8 1.653E-7 3.696E-7 8.2649999999E-7 0.000001848 0.000004133 0.0000092409999999 0.00002066 0.0000462 518-82-1 3220 144210197 A A Emodin Cc3cc2C(=O)c1cc(O)cc(O)c1C(=O)c2c(O)c3 Tox21_202999 -NCGC00356955-01 196724034 tox21-ror-cho-viability-p1 set3 4 -6.06057849 2.68528545 0.13818847 -2.32826989 6.84341782 -2.53977747 -0.44491374 -2.91187259 -8.29641076 -11.08231236 4.89303685 -2.01403341 -6.36959386 -7.919908 4.14509002 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23128-74-7 90004 251919785 A Antioxidant 1098 CC(C)(C)c1cc(cc(c1O)C(C)(C)C)CCC(=O)NCCCCCCNC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C Tox21_303983 -NCGC00163903-03 196721179 tox21-ror-cho-viability-p1 set3 4 0.0229977616 9.41567676 -10.91567676 -1.5 4.9549173134 0.474164042 0.2188443208 -1.30260447 -11.25344561 -17.8463973 -14.00424937 -1.39942309 -5.0234002 0.82796681 0.88954365 1.22090411 -7.96856452 2.42312364 1.9966948 -6.92382561 0.05840153 -7.27355388 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 29420-49-3 23675274 144214012 A PFBS-K [K+].FC(F)(C(F)(F)S([O-])(=O)=O)C(F)(F)C(F)(F)F Tox21_400051 -NCGC00253992-01 196720380 tox21-ror-cho-viability-p1 set3 -2.2 57.8507107855 -57.3982276727 -1.93719527 -59.3354229427 3.9899729863 0.8886784392 0.0005473576 -0.81212381 -4.00750987 0.05991193 4.11784441 0.73410872 0.63246451 -8.9839862 -8.96963686 3.72048468 -8.27662402 -6.46294937 2.6658194 -1.24567547 -11.74702144 -50.25410829 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 464930-42-5 44235958 144210555 A A SSR 240612 Cl.CC(C)N(C)C(=O)[C@@H](Cc2ccc(CN1[C@H](C)CCC[C@@H]1C)cc2)NC(=O)C[C@@H](NS(=O)(=O)c3cc4ccc(OC)cc4cc3)c5ccc6OCOc6c5 Tox21_300235 -NCGC00254633-01 196720785 tox21-ror-cho-viability-p1 set3 4 0.002730602 15.276994752 -14.776994752 0.5 0.3 0.5641594627 0.1255212577 -7.53250453 -11.48082896 -2.61146419 -1.16300538 -8.12495916 -5.04631053 -3.91432073 -0.40185717 -3.01605933 -0.02872972 -0.44620011 -1.77902307 0.45709169 -1.57361351 0.21049742 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 759-94-4 12968 144211044 A A EPTC CCCN(CCC)C(=O)SCC Tox21_300727 -NCGC00254973-01 196720794 tox21-ror-cho-viability-p1 set3 -1.1 4.8557733675 -82.660569631 2.147998185 -80.512571446 2.3331733767 0.982097263 2.5E-8 0 1.33294299 -2.27565406 1.36997443 -1.6867745 1.6890676 5.23868981 1.92778341 4.9906915 -0.36422156 -25.75493441 -67.10838157 -65.16934507 -80.81070433 -88.28132834 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21564-17-0 30692 144211389 A A 2-(Thiocyanomethylthio)benzothiazole N#CSCSc1nc2ccccc2s1 Tox21_301072 -NCGC00259834-01 196721194 tox21-ror-cho-viability-p1 set3 4 0.0027695244 13.8782561321 -15.422508268 -1.5442521359 0.7999999999 0.6929704169 0.0419439952 -9.25824721 -13.26875689 -1.58657451 -5.41746069 -3.40745593 -3.56220533 -2.67050703 -2.85389613 -2.56473222 -0.03687678 -0.84127764 -0.67982851 -1.01808087 -1.50680382 -1.25358528 1.194E-9 2.671E-9 5.972E-9 1.335E-8 2.986E-8 6.677E-8 1.493E-7 3.338E-7 7.465E-7 0.000001669 0.000003732 0.000008346 0.00001866 0.000041729999999 0.00009331 7664-38-2 1004 144209483 A Phosphoric acid O=P(O)(O)O Tox21_202285 -NCGC00259847-01 196721863 tox21-ror-cho-viability-p1 set3 4 0.0193115248 -5.176232316 2.5 -2.676232316 4.9549173134 0.3517020701 0.3205214954 -0.98769277 3.86195454 2.86049118 3.101749 -3.43731765 -5.56352693 -4.86449132 -4.4612522 -2.2291812 -1.0948191 -4.62527545 -5.48850288 -2.31006693 5.69161175 -0.5398937 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9489999999E-8 6.593E-8 1.474E-7 3.297E-7 7.3709999999E-7 0.000001648 0.000003686 0.000008242 0.000018429999999 0.00004121 0.00009214 94-60-0 7198 144209496 I A Dimethyl hexahydroterephthalate COC(=O)C1CCC(CC1)C(=O)OC Tox21_202298 -NCGC00254135-01 196719791 tox21-ror-cho-viability-p1 set3 4 1.0870722482 4.9431410639 -0.9431410639 4 2.4063783767 0.42409323 0.2680548157 1.15695604 -3.17963075 4.23777949 -1.80517778 -4.11928422 -0.56181494 -2.789777 1.39806442 -2.93539272 5.32392556 4.9331191 6.19348536 3.81149017 0.1266788 0.01288349 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-41-0 1775 144210601 A A 5,5-Diphenylhydantoin O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3 Tox21_300281 -NCGC00254286-01 196719794 tox21-ror-cho-viability-p1 set3 4 -4.15696492 -4.98345337 0.74634975 -4.95632931 -4.40427855 -0.43487907 2.2792491 0.4253841 -5.95690265 -6.16232292 -3.55870769 -2.29607324 -3.22633138 -3.83031322 -10.55297131 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 36653-82-4 2682 144210643 A Ac 1-Hexadecanol CCCCCCCCCCCCCCCCO Tox21_300325 -NCGC00254653-01 196719800 tox21-ror-cho-viability-p1 set3 4 1.5261657969 11.4307608919 -9.9307608919 1.5 0.7999999999 0.758088809 0.0172841059 -8.01900769 -9.10312253 -12.76370117 -12.85896741 -10.65412406 -2.70297131 -8.40291178 -8.56474912 -8.56046955 -1.46243165 -2.60821699 -1.28994342 0.44566656 1.70080728 -0.22959697 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 122-34-9 5216 144211065 A A Simazine Clc1nc(NCC)nc(NCC)n1 Tox21_300748 -NCGC00163906-02 196721464 tox21-ror-cho-viability-p1 set3 4 15.3553036427 15.972188844 -7.472188844 8.5 1.372261 0.5933424924 0.1018465705 -11.69788139 -5.95837565 -2.85303581 1.95603834 -7.08295956 -11.38160795 -12.06015737 -5.06464704 -9.97733614 -6.58909256 -8.82308176 2.4036449 -2.23787999 6.6426044 7.04418811 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00258864-01 196721467 tox21-ror-cho-viability-p1 set3 4 0.7844820661 9.094235156 -6.094235156 3 4.9549173134 0.5700092263 0.1196795594 -12.16186263 -7.80325934 1.6701905 -2.2577203 -7.39428285 -1.24903835 -8.37230954 -10.79588469 -2.18994039 4.77635101 -0.96662848 4.44887416 0.67319101 2.74948505 4.82129182 1.1989999999E-9 2.6819999999E-9 5.997E-9 1.3409999999E-8 2.999E-8 6.705E-8 1.4989999999E-7 3.353E-7 7.497E-7 0.000001676 0.000003748 0.0000083819999999 0.000018739999999 0.00004191 0.00009371 619-17-0 12076 144208510 A A 4-Nitroanthranilic acid OC(=O)c1ccc(cc1N)[N+]([O-])=O Tox21_201312 -NCGC00090952-07 196721469 tox21-ror-cho-viability-p1 set3 4 9.8562788186 9.94073564 -4.94073564 5 0.8999999999 0.7132614297 0.0329184623 -7.8672797 -2.56887101 -4.16156328 -3.05569547 -5.39678756 -7.06641442 -3.32080359 -6.5567146 -4.34949331 -0.21841518 -3.73924763 0.29071483 -0.57153102 5.56073719 2.66372813 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 80-05-7 6623 144214049 A A Bisphenol A CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 Tox21_400088 -NCGC00259390-01 196721866 tox21-ror-cho-viability-p1 set3 4 -4.74398842 -6.50731386 -4.80991147 -0.43659018 -5.01691849 -3.29948846 -3.33827386 -6.02151828 -6.01855873 -3.69528607 -5.72371754 -6.41712791 -5.5132297 -4.30379096 -7.47798414 1.191E-9 2.663E-9 5.954E-9 1.331E-8 2.977E-8 6.657E-8 1.489E-7 3.3289999999E-7 7.4429999999E-7 0.0000016639999999 0.000003721 0.0000083209999999 0.00001861 0.000041609999999 0.00009304 56-72-4 2871 144209039 A A Coumaphos CCOP(=S)(OCC)Oc1ccc2c(c1)OC(=O)C(Cl)=C2C Tox21_201841 -NCGC00091830-04 196722254 tox21-ror-cho-viability-p1 set3 4 -5.71634688 -6.49064381 -6.93102907 1.34176911 -6.49247782 -2.48362928 -2.24701807 -7.62646287 -6.18035484 -3.58681284 -7.19117382 -7.66549576 -6.15880998 -4.23390985 -1.12703498 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22224-92-6 31070 144214042 A A Fenamiphos Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC Tox21_400081 -NCGC00258875-01 196722256 tox21-ror-cho-viability-p1 set3 4 31.7942579876 11.892425224 -8.892425224 3 4.9549173134 0.4105964081 0.2618905109 -12.92160532 -8.67951186 -13.88974993 0.57509629 -4.84270912 -12.0857146 -5.74023974 -10.52027633 -14.07702102 -0.73530418 -7.63739747 -12.00354006 -13.09513517 1.81959162 2.81916357 1.2169999999E-9 2.722E-9 6.087E-9 1.361E-8 3.0429999999E-8 6.8049999999E-8 1.522E-7 3.403E-7 7.608E-7 0.0000017009999999 0.0000038039999999 0.000008507 0.000019019999999 0.00004253 0.000095109999999 280-57-9 9237 144208521 1,4-Diazabicyclo[2.2.2]octane C1CN2CCN1CC2 Tox21_201323 -NCGC00259171-01 196722261 tox21-ror-cho-viability-p1 set3 4 -1.04391126 -8.72383389 2.71881697 -1.94683991 3.22213183 0.68489684 1.2904756 -2.35675648 0.77360162 -9.65725043 -0.15958217 -7.0358397 2.45999864 0.88993849 6.71197918 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004128 0.00009231 298-07-7 9275 144208820 A A Bis(2-ethylhexyl) phosphate CCCCC(COP(O)(=O)OCC(CC)CCCC)CC Tox21_201622 -NCGC00163927-04 196722262 tox21-ror-cho-viability-p1 set3 4 -4.30562767 -5.01383245 -6.75331496 -3.70511098 -0.7004719 -7.00101451 -2.16805531 -7.66744444 -6.02280901 -3.65407344 -6.41147371 -7.35940047 -2.08689424 0.74854767 -0.13715184 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00255592-01 196710470 tox21-ror-cho-viability-p1 set2 4 -3.69995934 -2.32695881 -0.05431234 -0.21035671 -2.07496284 -4.92126162 -0.0529173 0.77163978 -0.1284129 -0.30263463 -0.31641295 0.70391215 0.3205995 2.21847929 0.27269099 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 22936-75-0 31573 144212540 A A Dimethametryn CSc1nc(NCC)nc(NC(C)C(C)C)n1 Tox21_302223 -NCGC00255723-01 196710878 tox21-ror-cho-viability-p1 set2 1.4 0.0015059088 16.9896488919 -16.9896488919 0 4.9549173134 0.689297196 0.0435119358 -13.32470741 -0.45920144 -1.39707919 -1.34893618 -0.91391526 -0.10537011 -1.56779447 0.71316143 -0.57842719 0.69578951 -1.28113389 0.38439673 -3.00422172 -1.04799392 7.21754475 1.1609999999E-9 2.5959999999E-9 5.804E-9 1.298E-8 2.9019999999E-8 6.489E-8 1.451E-7 3.245E-7 7.255E-7 0.000001622 0.000003628 0.000008112 0.00001814 0.00004056 0.000090689999999 98-66-8 7400 144212389 Ac Ac 4-Chlorobenzenesulfonic acid OS(=O)(=O)c1ccc(Cl)cc1 Tox21_302072 -NCGC00255739-01 196710038 tox21-ror-cho-viability-p1 set2 4 0.52008967 -1.0473746 -0.80054411 -1.99439571 1.32136075 -2.16645193 0.23749527 1.47550175 -2.0649437 1.08813 -1.58138357 -2.35213242 1.77026192 -1.77023937 -3.35304625 1.213E-9 2.713E-9 6.067E-9 1.357E-8 3.033E-8 6.7829999999E-8 1.517E-7 3.391E-7 7.5829999999E-7 0.000001696 0.0000037919999999 0.000008479 0.00001896 0.00004239 0.00009479 1323-19-9 60196428 144212588 F Sodium triisopropyl naphthalene sulfonate [Na+].CC(C)c1cc2c(cc1)c(cc(C(C)C)c2S([O-])(=O)=O)C(C)C Tox21_302271 -NCGC00255448-01 196710052 tox21-ror-cho-viability-p1 set2 4 0.0485577337 5.423866016 -5.923866016 -0.5 4.9549173134 0.6195504709 0.0848537729 -2.49546481 -8.29917348 -4.61404227 -4.15169258 -9.10322168 0.7461386 -1.58446069 -2.05285621 -1.56191874 -1.85467293 0.10292278 1.2930519 -0.61111157 0.96338122 -0.61663779 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 64-00-6 6143 144212323 A A m-Cumenyl methylcarbamate O=C(Oc1cc(ccc1)C(C)C)NC Tox21_302006 -NCGC00091499-05 196710880 tox21-ror-cho-viability-p1 set2 4 -4.22357365 -4.41533966 -1.76791927 -2.07603888 -2.07547959 -3.64651759 -4.70890949 -0.0814183 -2.51980738 -1.90037311 1.05444554 0.37759376 -1.70090521 -3.40146698 -2.18854026 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 117-81-7 8343 144214045 A A Di(2-ethylhexyl) phthalate CCC(CCCC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC Tox21_400084 -NCGC00256232-01 196710883 tox21-ror-cho-viability-p1 set2 4 4.52553988 5.16134171 1.14801862 1.76998752 -0.28121386 0.8853102 1.46017409 -1.13711993 2.66886521 3.41823349 1.58380411 2.48335853 1.80939172 1.5483294 3.15709877 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 824-72-6 69990 144211811 F F Phenylphosphonic dichloride ClP(=O)(Cl)c1ccccc1 Tox21_301494 -NCGC00255184-01 196710888 tox21-ror-cho-viability-p1 set2 4 -5.82007157 -3.02379712 1.08410244 -6.69349007 -2.70831782 -4.3289107 -5.38579515 -11.42600453 0.50632016 -2.00655445 -3.29300279 1.19733047 1.02146237 -8.73849694 -11.29396721 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 434-03-7 5284557 144212641 A A Ethisterone O=C4CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@@]1(O)C#C)=C4 Tox21_302324 -NCGC00094532-06 196711294 tox21-ror-cho-viability-p1 set2 -2.4 17.5272176827 -40.3213356375 -3 -43.3213356375 1.4641 0.7445681062 0.5235935265 -1.76991454 -3.52396936 -6.37153913 -0.59501682 -0.40650569 -3.97555186 -56.36839301 -3.96284986 0 -13.27743808 -8.50160048 0 -34.33434518 -31.50017705 -10.70619919 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 94-82-6 1489 144214041 A A 2,4-DB Clc1cc(Cl)ccc1OCCCC(=O)O Tox21_400080 -NCGC00260641-01 196711302 tox21-ror-cho-viability-p1 set2 -3 6.6824247267 -37.106682232 -2.5 -39.606682232 3.1319983358 0.6489412656 0.0903768738 -0.95234447 -0.87488653 -1.64913811 -0.88902737 0.2203981 0.97749082 -19.87223378 -0.39793522 -5.68231391 0.65516816 1.62848775 -7.73257972 -30.08890186 -11.89505936 15.87409281 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49537 144210294 M M NTP Mix82 ER AR1 18-EQC Tox21_203096 -NCGC00163927-04 196711305 tox21-ror-cho-viability-p1 set2 4 62.5631710251 12 2 14 0.3 0.4801885539 0.1997459353 3.66695455 1.55676271 1.25759196 4.8073265 1.84031195 3.46285561 2.50933789 6.63235298 6.03181353 6.07250663 1.42205936 7.04767985 7.27288074 4.42556314 11.5076544 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 55335-06-3 41428 144214034 A A Triclopyr Clc1cc(Cl)c(Cl)nc1OCC(=O)O Tox21_400073 -NCGC00163818-04 196712116 tox21-ror-cho-viability-p1 set2 -2.1 18.3739792591 -88.2923105157 2.1792402289 -86.1130702868 0.8999999999 0.9775815748 9.17E-8 0.74297784 -0.83475165 0.41800209 2.13926534 3.426013 4.94012022 3.17298879 1.51013748 -0.34882 -15.09746486 -13.75758121 -28.42405128 -36.3431928 -64.20749211 -68.26747749 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00260036-01 196712122 tox21-ror-cho-viability-p1 set2 -3 1.0694083639 -32.2696904759 -2.010252092 -34.2799425679 1.6266150999 0.7213147531 0.0951375862 -0.00854341 -1.57223839 -2.33080548 -0.81336581 -3.34827235 -0.12227055 -10.91210505 -7.94294245 -3.87223261 -31.89995214 -11.82138907 -3.91597759 -11.74047818 5.94203805 2.65992904 1.164E-9 2.6039999999E-9 5.822E-9 1.302E-8 2.911E-8 6.509E-8 1.456E-7 3.255E-7 7.2779999999E-7 0.0000016269999999 0.000003639 0.000008137 0.00001819 0.00004068 0.000090969999999 71-43-2 241 144209685 Fns Benzene c1ccccc1 Tox21_202487 -NCGC00260251-01 196724153 tox21-ror-cho-viability-p1 set3 4 0.0387669845 -6.3843175879 5 -1.3843175879 0.5 0.3407030323 0.3320457124 2.01032435 6.03072173 2.86584186 4.04503935 1.18756802 -2.1597977 3.96903636 -1.38998049 1.04710875 3.04946297 -2.75240236 -6.15359799 1.50135715 1.13070249 -2.76859258 1.185E-9 2.651E-9 5.927E-9 1.325E-8 2.9629999999E-8 6.627E-8 1.482E-7 3.3129999999E-7 7.409E-7 0.000001657 0.000003704 0.0000082829999999 0.00001852 0.00004142 0.00009261 345984-11-4 44717198 144209901 A A 1-Butyl-1-methylpyrrolidinium tetrafluoroborate CCCC[N+]1(C)CCCC1.F[B-](F)(F)F Tox21_202703 -NCGC00357259-01 196723745 tox21-ror-cho-viability-p1 set3 -1.1 21.6899429044 -72.8075579805 0.9899177369 -71.8176402436 4.9549173134 0.9755915999 1.495E-7 -1.14852976 -0.01891569 -1.03580434 8.97337796 3.58813908 -9.327626 5.22755347 1.92952224 -0.22126813 2.6621681 1.15130833 -0.07349651 -18.50950415 -71.12744467 -70.99894784 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4221-68-5 21943953 251919832 A 1,1-Bis(3-cyclohexyl-4-hydroxyphenyl)cyclohexane Oc2ccc(cc2C1CCCCC1)C3(CCCCC3)c5cc(C4CCCCC4)c(O)cc5 Tox21_303717 -NCGC00357219-01 196724166 tox21-ror-cho-viability-p1 set3 4 1.6785492 -17.421802216 0.5 -16.921802216 1.9673362061 0.9082363171 0.0002096489 -5.83370602 0.54466693 0.01092035 -1.41194471 1.38941621 0.87433475 4.51968159 3.16547084 1.06793478 -3.95359695 -8.78692074 -15.4737334 -17.43483518 -16.81991013 -14.95020801 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 330-95-0 9507 251919722 Ac Nicarbazin CC1=CC(C)=NC(=O)N1.[O-][N+](=O)c1ccc(cc1)NC(=O)Nc2ccc(cc2)[N+]([O-])=O Tox21_304000 -NCGC00179342-03 196698003 tox21-ror-cho-viability-p1 set1 4 0.40294238 5.85718214 10.36622463 1.18179974 0.98344685 2.53515602 3.84045602 2.07936803 1.12700595 -0.194301 4.19374292 4.08505575 0.0208808 1.28554238 3.46347193 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6452-73-9 71172 170464995 A Oxprenolol hydrochloride Cl.CC(C)NCC(O)COc1ccccc1OCC=C Tox21_110556_1 -NCGC00090858-02 196698015 tox21-ror-cho-viability-p1 set1 4 -2.25211202 1.05472325 0.30642309 0.25194804 4.44950859 0.3029561 0.48937463 -2.98466741 2.6775565 2.27801859 4.04796381 0.32893157 0.29053586 4.16377084 0.27328417 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00249932-01 196698412 tox21-ror-cho-viability-p1 set1 4 33.4914596268 13.2636132239 -0.2636132239 13 4.9549173134 0.5070621294 0.1734301894 0.11633216 -1.9984753 0.58571063 0.95574228 -3.36636158 -1.23965233 0.87281375 -0.22266879 -4.80301102 7.69821062 -1.84352251 -0.45705019 1.1232851 -1.18687296 10.83336743 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 38957-41-4 3221 170465843 A A Emorfazone CCOC1=C(C=NN(C)C1=O)N2CCOCC2 Tox21_113708 -NCGC00091775-03 196698428 tox21-ror-cho-viability-p1 set1 -1.2 8.6349217992 -29.3187646159 -3.370581564 -32.6893461799 3.1319983358 0.9570304402 0.0000036534 -6.73273482 -2.24637972 -4.23651106 -1.18181182 -4.77796185 -0.89700573 -5.7108055 -5.90409557 -0.69992331 -0.30881797 -3.93732504 -17.19024463 -32.33150097 -34.499359 -28.1175138 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 534-52-1 10800 144214029 A A 2-Methyl-4,6-dinitrophenol O=[N+]([O-])c1cc(cc(C)c1O)[N+]([O-])=O Tox21_400068 -NCGC00255071-01 196698826 tox21-ror-cho-viability-p1 set1 4 -0.06525464 -4.41736689 -3.132418 -1.37215915 -8.56734519 -6.13062157 -1.32551974 -2.31422074 -3.48046957 -2.91995162 -5.0271216 -4.10911988 0.42731969 -0.07950349 -9.33298313 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 127-41-3 5282108 144211490 A Fc alpha-Ionone CC1(C)CCC=C(C)C1/C=C/C(C)=O Tox21_301173 -NCGC00254729-01 196698831 tox21-ror-cho-viability-p1 set1 4 2.15121959 1.22073081 -0.39167046 0.88792246 6.32383019 0.49314279 3.71831645 3.09350396 3.34903409 0.10783051 0.23128934 1.18236225 3.41055549 0.51778162 0.4741999 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24934-91-6 32739 144211142 A Ac Chlormephos CCOP(=S)(OCC)SCCl Tox21_300825 -NCGC00255104-01 196698842 tox21-ror-cho-viability-p1 set1 4 0.61367048 -5.93246974 1.49052082 0.62643735 -2.9472303 1.27271178 2.80348286 1.28599913 -5.32567042 1.4255441 2.10177994 3.13194758 -6.87456946 -5.41197297 -0.0674013 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 114-26-1 4944 144211524 A A Propoxur CC(C)Oc1ccccc1OC(=O)NC Tox21_301207 -NCGC00254035-01 196698851 tox21-ror-cho-viability-p1 set1 -2.1 61.130564862 -103.6732885994 -0.831324021 -104.5046126204 2.9022712143 0.9834228425 1.6E-8 0.42169787 -1.82538315 0.25321051 2.24913974 1.90667164 -1.03183177 -1.01395827 0.25940517 0.32088079 -6.73364271 0.54446255 -0.04626981 -10.00182938 -23.36852027 -81.06410047 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 532-27-4 10757 144210365 D 2-Chloroacetophenone O=C(CCl)c1ccccc1 Tox21_300045 -NCGC00179351-03 196697276 tox21-ror-cho-viability-p1 set1 4 0.31665864 4.325295 -1.58410836 -1.66910566 0.81551002 -0.0756612 -0.16165563 -0.70366462 0.03187014 -2.4064701 3.21370658 0.18270399 1.24399864 0.44992477 4.18298316 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 73-49-4 6307 170465167 A Quinethazone NS(=O)(=O)c1cc2C(=O)NC(Nc2cc1Cl)CC Tox21_110366_1 -NCGC00262941-01 196697267 tox21-ror-cho-viability-p1 set1 4 -2.69502208 -0.79814704 -1.07328987 -0.03240536 -1.7919338 -4.10132476 0.17837801 1.28627429 -3.89077651 1.87151944 1.1763024 4.83439368 -0.69135497 1.47527672 3.1936902 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118635-68-0 13713368 170465754 A A Ipenoxazone hydrochloride Cl.CC(C)C[C@H]3N(CCCN1CCCCCC1)C(=O)O[C@H]3c2ccccc2 Tox21_113934 -NCGC00016834-07 196722377 tox21-ror-cho-viability-p1 set3 4 0.6682424727 -10.8633141919 5 -5.8633141919 4.9549173134 0.6400225858 0.0701938087 3.53018044 7.26408057 1.26227806 9.07418169 10.33532859 7.33640038 -2.89500516 4.6378936 5.4590026 -3.69168745 -6.64262327 -7.33638863 -8.27058207 2.53849133 -8.63609516 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 36330-85-5 3335 170465799 A Fenbufen O=C(CCC(=O)O)c1ccc(cc1)c2ccccc2 Tox21_110638_1 -NCGC00181103-02 196722362 tox21-ror-cho-viability-p1 set3 4 1.46544412 -4.48075993 -0.46326556 -0.71154802 2.14930746 1.08937808 2.26246958 3.3593141 0.91849623 -4.10048666 4.62885192 -5.16266626 -1.88437631 -1.62391256 -2.86116371 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54556-98-8 441412 170466036 A Propiverine hydrochloride Cl.CN3CCC(OC(=O)C(OCCC)(c1ccccc1)c2ccccc2)CC3 Tox21_112719_1 -NCGC00247687-01 196722369 tox21-ror-cho-viability-p1 set3 4 0 -19.12433672 -2.98692881 0 -2.77765659 0 -6.34150767 0 2.30576733 -6.51044271 3.01869909 1.46986675 -2.92803042 0.12019302 3.79862716 1.307E-9 2.922E-9 6.533E-9 1.461E-8 3.266E-8 7.3039999999E-8 1.6329999999E-7 3.652E-7 8.1659999999E-7 0.000001826 0.000004083 0.00000913 0.00002041 0.00004565 0.00010209999999 78995-18-3 60196316 144206390 A A dl-cis-3-Methylfentanyl hydrochloride Cl.CCC(=O)N([C@@H]2CCN(CCc1ccccc1)C[C@@H]2C)c3ccccc3 Tox21_112837 -NCGC00160657-03 196722370 tox21-ror-cho-viability-p1 set3 -2.4 9.4391758155 -34.71407892 0 -34.71407892 0.8999999999 0.9855363752 7.2E-9 1.02947825 -0.04472139 0.79483164 -0.90678671 -0.24750863 -1.04451191 -2.13935237 1.32811548 -0.79257786 -5.1905831 -5.90254363 -11.91134955 -15.91032567 -23.79524497 -27.6783991 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 26130-02-9 33334 170466453 A Frentizole COc2ccc3nc(NC(=O)Nc1ccccc1)sc3c2 Tox21_111964_1 -NCGC00160436-02 196722773 tox21-ror-cho-viability-p1 set3 4 0.1463044 0.00041695 0.33994072 -7.30748298 2.43494608 -1.91302579 -4.04405704 -25.01296272 -3.6994736 0.05617863 -1.35214399 -4.01213104 -6.50069149 0.30986516 2.44822392 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5467-78-7 21640 170466193 A Fenamol Nc2nnnn2c1ccccc1 Tox21_113085_1 -NCGC00164576-04 196722780 tox21-ror-cho-viability-p1 set3 4 2.6603212004 -4.5345294 -0.5 -5.0345294 1.8616924601 0.3492294771 0.3411570946 -0.25363445 -0.67700659 -1.45339022 -1.47108148 -3.16788826 -0.28318034 -0.00911618 2.36812894 -0.56196084 1.56393062 -5.14199458 -0.08492813 -8.7787745 -2.80908305 1.80549068 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 192725-17-0 92727 170464773 A Lopinavir CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)COc3c(C)cccc3C)N4CCCNC4=O Tox21_112204_1 -NCGC00023230-10 196722785 tox21-ror-cho-viability-p1 set3 4 -1.09785658 -0.3311493 -2.52522159 0 0 0 0.54820356 -1.12035131 4.25668927 0.36695827 1.46018427 4.82634611 0.78140734 -1.21355249 -3.59385877 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 128-62-1 275196 170465539 A Noscapine COc3c5OCOc5cc4CCN(C)[C@@H]([C@H]2OC(=O)c1c(OC)c(ccc12)OC)c34 Tox21_110413_1 -NCGC00024667-14 196722786 tox21-ror-cho-viability-p1 set3 4 0.1059092946 -12.3119854519 6.5 -5.8119854519 4.9549173134 0.3513161257 0.3337870127 -7.37035569 14.08001959 12.48041709 -5.3302977 14.45827442 8.34798173 6.01292373 -7.24037812 -13.59332121 7.14785828 -8.16307978 3.93495982 -13.28898927 -9.2473032 4.85222571 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 41372-08-1 38852 170464643 A Methyldopa O.O.O.Oc1ccc(C[C@](C)(N)C(=O)O)cc1O.O=C(O)[C@@](C)(N)Cc1cc(O)c(O)cc1 Tox21_110917_1 -NCGC00254094-01 196720792 tox21-ror-cho-viability-p1 set3 4 4.35575853 3.74007967 3.01215087 -14.11839453 5.43709327 -2.83154891 -3.55781343 -3.0223474 -3.67638068 -3.05925022 -0.53696776 1.67410785 -3.66175382 -0.23414041 0.13040863 5.191E-10 1.1609999999E-9 2.595E-9 5.803E-9 1.298E-8 2.9019999999E-8 6.488E-8 1.451E-7 3.244E-7 7.254E-7 0.000001622 0.0000036269999999 0.000008111 0.00001814 0.000040549999999 54-85-3 3767 144210513 A A Isoniazid O=C(NN)c1ccncc1 Tox21_300193 -NCGC00254677-01 196720368 tox21-ror-cho-viability-p1 set3 -3 0.2406453163 -84.1926096801 -1.675704917 -85.8683145971 4.9549173134 0.9478258298 0.0054399992 0.96048445 -7.07398164 -11.89616512 0.5459687 -0.36088744 1.43396619 0.28322256 -75.32308298 -6.70371554 1.00086209 1.29211269 -0.77032412 0.96988206 -0.34616009 2.52326811 1.1689999999E-9 2.6129999999E-9 5.843E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.461E-7 3.2659999999E-7 7.3029999999E-7 0.0000016329999999 0.000003652 0.0000081649999999 0.00001826 0.000040829999999 0.00009129 24307-26-4 62781 144211090 A Mepiquat chloride [Cl-].C[N+]1(C)CCCCC1 Tox21_300773 -NCGC00254986-01 196720374 tox21-ror-cho-viability-p1 set3 4 0.0054482673 -9.6359894601 11 1.3640105399 4.9549173134 0.5116788441 0.1688493327 4.14360439 17.89899836 4.12158755 1.76803633 0.21546238 -0.03962739 -1.36332455 5.44776672 2.60938831 3.51831375 2.652375 0.11381315 1.69536084 2.78755261 -1.32732902 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 69806-50-4 50897 144211402 A A Fluazifop-butyl O=C(OCCCC)C(C)Oc1ccc(cc1)Oc2ccc(cn2)C(F)(F)F Tox21_301085 -NCGC00254262-01 196720783 tox21-ror-cho-viability-p1 set3 4 0.0030637859 16.635572036 -17.135572036 -0.5 0.6 0.6222757423 0.0952593726 -9.97078359 -13.44631003 -3.49127311 -2.44998645 -6.10836521 -8.37945429 0.39706629 1.05456019 -0.54915639 -1.80310208 -1.40213132 -0.10337365 -1.77194383 -0.77862755 -6.61374294 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1445-75-6 3073 144210792 A Ac Diisopropyl methylphosphonate CP(=O)(OC(C)C)OC(C)C Tox21_300474 -NCGC00257357-01 196726645 tox21-ror-cho-viability-p1 set3 4 1.18826262 2.59603177 1.86800364 1.64028839 0.96071497 2.4255491 0.194588 0.54419595 2.60552411 10.86138585 10.37994721 1.34909669 0.52908751 -1.86013097 1.35299873 7.579E-10 1.6949999999E-9 3.789E-9 8.473E-9 1.895E-8 4.2369999999E-8 9.4729999999E-8 2.1179999999E-7 4.737E-7 0.000001059 0.0000023679999999 0.000005296 0.00001184 0.00002648 0.00005921 129453-61-8 104741 144213958 F F Fulvestrant FC(F)(F)C(F)(F)CCCS(=O)CCCCCCCCC[C@@H]2Cc1cc(O)ccc1[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@H]23 Tox21_303656 -NCGC00182709-03 196726239 tox21-ror-cho-viability-p1 set3 4 1.333319023 4.9671297679 -1.9671297679 3 2.1210667061 0.3071516965 0.377420031 1.78841849 -1.77322495 -4.05968918 -1.72449231 2.18871263 -11.22260814 0.71789522 -2.63870815 -2.39061464 0.58240731 0.16620458 3.5056965 5.21504704 0.97092724 1.29422828 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 144481-98-1 164457 170465910 A Landiolol hydrochloride Cl.CC3(C)OC[C@@H](COC(=O)CCc2ccc(OC[C@@H](O)CNCCNC(=O)N1CCOCC1)cc2)O3 Tox21_113021_1 -NCGC00163803-06 196726244 tox21-ror-cho-viability-p1 set3 4 0.0094391758 -14.7504078959 1.5 -13.2504078959 4.9549173134 0.7752351504 0.012851085 -2.10293612 10.22480232 -3.55548301 -0.19534028 -13.17842449 -14.9098199 -12.76597639 -10.95074467 -15.68327804 -14.01256185 -17.29200658 -8.30522288 -13.59906879 -11.68984996 -13.01373285 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66215-27-8 47866 170466498 Z Cyromazine Nc2nc(N)nc(NC1CC1)n2 Tox21_112074_1 -NCGC00263580-01 196726253 tox21-ror-cho-viability-p1 set3 4 -3.67553848 -0.13805098 -9.86024384 -9.86391397 1.06632116 1.15053809 -1.43045876 2.69199905 -8.42348887 -8.70164617 -4.35929095 0.45088837 1.57524558 -2.88518922 1.50803122 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 152946-68-4 108188 170465591 A Nolatrexed dihydrochloride Cl.Cl.NC3=Nc2ccc(C)c(Sc1ccncc1)c2C(=O)N3 Tox21_112673_1 -NCGC00256382-01 196726650 tox21-ror-cho-viability-p1 set3 -2.1 54.4826732819 -85.1600787787 -1.079231332 -86.2393101107 1.21 0.9280837175 0.0000592053 0.45950263 -3.93691913 0 -0.27344029 -0.05264255 0 -0.22044753 -0.22275997 0 -5.65017 -1.37005005 -19.59641504 -21.44612492 -26.91161473 -65.33281069 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 15721-02-5 27465 144213228 A A 2,2',5,5'-Tetrachlorobenzidine Clc1cc(N)c(Cl)cc1c2cc(Cl)c(N)cc2Cl Tox21_302911 -NCGC00160624-04 196705445 tox21-ror-cho-viability-p1 set1 4 0.74476777 1.5396705 2.27271343 -1.8455588 -2.70134605 -8.93828443 -2.78231734 -2.774266 0.3225833 0.28090216 -2.34743605 1.52701129 -0.20275714 0.89546229 2.43678491 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-06-3 6034 170466827 A Ethopabate CCOc1cc(ccc1C(=O)OC)NC(C)=O Tox21_111943_1 -NCGC00263519-01 196705440 tox21-ror-cho-viability-p1 set1 4 -3.70024184 -2.53928687 -3.28237751 -2.41388724 -1.46067492 0.19861644 -1.00084861 0.70403296 0.14238899 0.10036512 -0.62023304 -0.78565319 0.10163165 -0.30854922 5.09637319 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 120638-55-3 11954316 170465189 F Bromfenac sodium sesquihydrate [Na+].[Na+].O.O.O.O=C(c1ccc(Br)cc1)c2cccc(CC([O-])=O)c2N.[O-]C(=O)Cc1cccc(c1N)C(=O)c2ccc(Br)cc2 Tox21_112181_1 -NCGC00253658-01 196705453 tox21-ror-cho-viability-p1 set1 -2.4 29.8492948118 -30.794213612 1 -29.794213612 3.2974983358 0.8717152387 0.0010904624 2.88829047 5.64252632 3.83247095 0.15623919 -0.20127297 1.57423644 0.06577417 4.98919006 0.0906726 -3.41472715 -2.82818924 1.71327211 -0.61594672 -5.45367458 -23.99517801 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 119356-77-3 71353 170466555 A F Dapoxetine CN(C)[C@@H](CCOc2cccc1ccccc12)c3ccccc3 Tox21_113784 -NCGC00178879-04 196705049 tox21-ror-cho-viability-p1 set1 -1.1 1.6785492 -88.0612672566 -1.401856011 -89.4631232676 1.826479391 0.9891746365 1.3E-9 1.30961573 -5.13953336 0.46746404 -0.06281078 -5.19027538 0.19384452 -8.8171543 -0.19030654 -5.08619118 -14.77367441 -50.17370583 -80.32756932 -87.61256752 -87.70894438 -82.51304136 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54-64-8 16684434 170465469 A Thimerosal [Na+].[O-]C(=O)c1ccccc1S[Hg]CC Tox21_111331_1 -NCGC00247720-01 196704626 tox21-ror-cho-viability-p1 set1 -3 67.4751061423 -41.4838585464 -1 -42.4838585464 4.9549173134 0.9646680145 0.0000012279 0.55653917 -1.7459958 -0.90417904 -0.44301057 -2.33611802 -2.2309547 -2.03294706 -3.01436123 0.76781219 -0.43068856 -1.94623185 -0.1971423 -1.52380605 0.58558079 -35.30464964 1.164E-9 2.6039999999E-9 5.822E-9 1.302E-8 2.911E-8 6.509E-8 1.4549999999E-7 3.255E-7 7.2769999999E-7 0.0000016269999999 0.000003639 0.000008136 0.00001819 0.00004068 0.000090969999999 1422-07-7 15984075 144206437 A A Codeine hydrochloride Cl.COc1ccc2C[C@H]4N(C)CC[C@@]35[C@@H](Oc1c23)[C@@H](O)C=C[C@@H]45 Tox21_112884 -NCGC00165924-04 196704640 tox21-ror-cho-viability-p1 set1 4 2.41086533 0.36620618 0.64268464 3.2576248 -5.61330941 2.95706398 0.30516198 3.18375406 1.40449845 1.7652903 0.59141471 -0.09244985 0.08458479 3.67051921 0.97178924 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 70989-04-7 107921 170465368 A (S)-Mephenytoin CC[C@]1(NC(=O)N(C)C1=O)c2ccccc2 Tox21_111783_1 -NCGC00167513-04 196705048 tox21-ror-cho-viability-p1 set1 4 -2.70060692 -0.64086615 1.15441392 1.00106325 -2.6489686 -0.16154799 1.35687279 1.2660552 0.33640784 1.06359603 -2.04233962 7.66891384 0.08458431 0.02832368 0.2653821 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 443913-73-3 3081361 170465617 F Vandetanib CN4CCC(COc2cc3ncnc(Nc1ccc(Br)cc1F)c3cc2OC)CC4 Tox21_112511_1 -NCGC00163298-02 196705055 tox21-ror-cho-viability-p1 set1 4 1.28422632 3.90539551 0.66524994 1.21427496 0.28979236 0.33831214 -0.65477792 -2.10885885 0.40216151 -0.89752599 0.36746832 0.00103502 1.05404597 4.53933658 4.44614031 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 6493-06-7 57782 170466143 A (+/-)-Lisofylline CC(O)CCCCN2C(=O)c1n(C)cnc1N(C)C2=O Tox21_112043_1 -NCGC00016361-12 196705063 tox21-ror-cho-viability-p1 set1 4 -3.87185855 0 -2.70376736 0.64190185 -5.29754546 -2.16713493 -3.62592266 0.87578399 -4.57332792 -2.45094326 0.05287608 1.41258452 -1.34240183 1.37103797 3.65841676 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103-90-2 1983 170466797 A Acetaminophen Oc1ccc(NC(C)=O)cc1 Tox21_110397_1 -NCGC00091297-05 196705459 tox21-ror-cho-viability-p1 set1 4 1.60205847 -1.34669011 -1.12319118 -1.11143306 2.43060983 0.5131516 0.37370963 1.50604694 4.72385587 0.1617944 0.29047803 1.40464721 0.88638831 1.32357087 -0.02580606 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 542-15-4 60196370 170465650 F Anilinium nitrate O[N+]([O-])=O.[NH3+]c1ccccc1 Tox21_113647_1 -NCGC00091205-03 196705468 tox21-ror-cho-viability-p1 set1 4 1.91853076 0.43786459 0.43636132 -0.77507784 1.51975355 1.88547282 -0.51110813 0.37253479 0.46928097 -0.63157204 1.18368192 -0.77954715 0.41739257 1.00068648 1.26218415 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00167514-02 196705472 tox21-ror-cho-viability-p1 set1 4 -1.10830296 -6.52671825 -3.66810429 1.52056629 0.99487633 -2.11502022 -5.71263895 -5.36645583 -1.27728977 -0.25576764 -5.39947378 -0.76742095 -6.12878621 -2.19088754 -7.06789556 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 965-90-2 13765 170465211 F Ethylestrenol C[C@]32CC[C@@H]1[C@H]4CCCC=C4CC[C@H]1[C@@H]3CC[C@@]2(O)CC Tox21_112512_1 -NCGC00249920-01 196705473 tox21-ror-cho-viability-p1 set1 4 1.70512693 -2.20311626 1.93874219 -2.31717982 -0.74327409 -1.84590551 1.77486758 -2.14617784 1.29079976 1.10339689 -0.5087508 -1.1766076 -0.17067676 2.02184369 -5.38474391 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 912-57-2 101905 170465905 F A Nandrolone cyclohexylpropionate O=C5CC[C@H]4C(CC[C@@H]3[C@@H]4CC[C@@]2(C)[C@H]3CC[C@@H]2OC(=O)CCC1CCCCC1)=C5 Tox21_113696 -NCGC00091253-05 196701565 tox21-ror-cho-viability-p1 set1 -2.4 7.4616935466 -17.94925644 -2.5 -20.44925644 1.21 0.723691897 0.0358097169 0 -6.17674811 -2.6385102 1.17037565 -6.7901483 -4.65768297 -2.10654889 -5.20940051 -2.12922987 0.36283404 -10.26445402 -9.79730815 -21.2077137 -14.92211338 -9.38582582 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00258032-01 196702780 tox21-ror-cho-viability-p1 set1 4 0.0016281168 9.355668644 -7.355668644 2 4.0949729863 0.4180425219 0.258698468 -4.87972387 1.22670631 -1.04985918 6.03128457 4.12064547 2.54948287 -0.13072455 1.26451472 6.04975846 3.28113205 -0.1278839 2.63180311 -0.53736691 1.43177109 2.16022586 1.239E-9 2.771E-9 6.1949999999E-9 1.3849999999E-8 3.098E-8 6.927E-8 1.549E-7 3.4629999999E-7 7.7439999999E-7 0.0000017319999999 0.0000038719999999 0.0000086579999999 0.000019359999999 0.00004329 0.0000968 5856-63-3 2723856 144207676 A A (2R)-2-Aminobutan-1-ol CC[C@@H](N)CO Tox21_200478 -NCGC00258072-01 196701568 tox21-ror-cho-viability-p1 set1 4 8.93434341 1.09089888 -1.01122925 1.73761484 -0.16074693 2.77062144 3.32187403 6.3761802 4.72691663 5.55198266 1.64476296 3.25018934 5.50443841 3.43465653 3.05924519 1.137E-9 2.543E-9 5.687E-9 1.2719999999E-8 2.844E-8 6.3579999999E-8 1.422E-7 3.179E-7 7.1089999999E-7 0.00000159 0.0000035539999999 0.000007948 0.000017769999999 0.00003974 0.00008886 95-63-6 7247 144207716 AC Fc 1,2,4-Trimethylbenzene Cc1cc(C)c(C)cc1 Tox21_200518 -NCGC00258751-01 196701560 tox21-ror-cho-viability-p1 set1 4 0.44486926 0.80258626 2.16709996 -0.23318998 1.87867286 1.47990874 0.69708148 -0.20195816 5.9688801 2.57549646 3.16358108 2.46860594 8.80986571 3.86981093 1.73143542 1.2279999999E-9 2.745E-9 6.138E-9 1.3729999999E-8 3.069E-8 6.863E-8 1.535E-7 3.431E-7 7.6729999999E-7 0.000001716 0.0000038359999999 0.0000085779999999 0.00001918 0.00004289 0.00009591 105-59-9 7767 144208397 A Fns N-Methyldiethanolamine OCCN(C)CCO Tox21_201199 -NCGC00258611-01 196701567 tox21-ror-cho-viability-p1 set1 4 -3.4565135 3.89659399 0.5923835 -1.13614739 -1.17676747 -2.24247623 -0.84007438 3.55786674 1.25988261 1.26673656 3.33309319 0.88251555 -0.10973454 -1.7162787 3.09022613 1.155E-9 2.583E-9 5.776E-9 1.291E-8 2.8879999999E-8 6.457E-8 1.444E-7 3.229E-7 7.2199999999E-7 0.000001614 0.0000036099999999 0.0000080719999999 0.000018049999999 0.00004036 0.000090239999999 545-06-2 11011 144208256 Trichloroacetonitrile ClC(Cl)(Cl)C#N Tox21_201058 -NCGC00258290-01 196701572 tox21-ror-cho-viability-p1 set1 4 -7.47459933 -0.03919801 -1.65019694 -1.31511891 0.0605628 1.15424263 -8.06370811 -0.38993417 7.37454342 0.20855221 3.71451872 2.33098746 -2.11558641 0.30782767 3.91479768 1.198E-9 2.679E-9 5.9899999999E-9 1.339E-8 2.995E-8 6.697E-8 1.497E-7 3.3479999999E-7 7.487E-7 0.0000016739999999 0.000003744 0.000008371 0.000018719999999 0.00004185 0.00009359 104-75-6 7719 144207934 Fns Fns 2-Ethylhexylamine CCC(CCCC)CN Tox21_200736 -NCGC00257560-01 196701577 tox21-ror-cho-viability-p1 set1 4 31.2307935678 11.0009001039 -1.5009001039 9.5 4.0949729863 0.5967934906 0.0998721932 -0.03535958 -3.53371941 -3.92912615 -1.40253547 0.04910981 -2.04193082 -5.82380876 -1.25828284 3.98417992 2.25680542 -0.99901525 -7.08408342 1.1621157 6.39332196 9.70402599 1.1989999999E-9 2.6809999999E-9 5.995E-9 1.34E-8 2.9969999999E-8 6.7019999999E-8 1.4989999999E-7 3.351E-7 7.493E-7 0.000001676 0.000003747 0.000008378 0.00001873 0.00004189 0.00009367 62-50-0 6113 144207204 AC Ethyl methanesulfonate CS(=O)(=O)OCC Tox21_200006 -NCGC00258396-01 196701973 tox21-ror-cho-viability-p1 set1 4 27.5005172729 -20.699476536 3.5 -17.199476536 4.9549173134 0.8703902295 0.00187947 4.83827197 4.92003691 3.55554363 5.85163577 -0.61318648 1.25819407 5.75301216 5.45618792 4.20750627 2.77946176 3.0633284 1.46661377 1.79909043 -14.74956378 -4.89805778 1.187E-9 2.6549999999E-9 5.936E-9 1.327E-8 2.968E-8 6.6369999999E-8 1.484E-7 3.3189999999E-7 7.42E-7 0.000001659 0.0000037099999999 0.0000082959999999 0.00001855 0.000041479999999 0.00009276 178631-04-4 12184591 144208040 A A 1-Methyl-3-octylimidazolium bis(trifluoromethylsulfonyl)imide FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C[n+]1ccn(CCCCCCCC)c1 Tox21_200842 -NCGC00257726-01 196701974 tox21-ror-cho-viability-p1 set1 4 4.12742628 2.62311792 -0.67452979 -0.39552041 -2.94448007 0.67466904 2.74965179 4.85410411 -0.55451531 4.9174182 2.80764089 -1.91399839 -2.21874338 0.65025564 2.6171107 1.2249999999E-9 2.739E-9 6.125E-9 1.37E-8 3.063E-8 6.848E-8 1.531E-7 3.4239999999E-7 7.657E-7 0.0000017119999999 0.000003828 0.000008561 0.00001914 0.0000428 0.000095709999999 607-91-0 4276 144207370 A A Myristicin C=CCc1cc2OCOc2c(c1)OC Tox21_200172 -NCGC00164449-04 196701983 tox21-ror-cho-viability-p1 set1 4 -8.9005063 -7.83135528 -14.86799617 -8.73856316 -10.48398629 -1.14363952 -13.13027296 -14.87088907 -5.6048513 1.24452827 -10.3154459 -7.34529211 -18.62091773 -14.54373714 -23.99628082 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1763-23-1 74483 144214044 PFOS FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Tox21_400083 -NCGC00258118-01 196701992 tox21-ror-cho-viability-p1 set1 4 4.84514058 4.25149113 0.46420556 -1.96784223 2.20631986 3.74486292 1.46433938 2.44274256 3.10354108 1.0595499 2.8021547 -1.00177178 0.08261481 -0.86184642 3.26558023 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004129 0.000092319999999 149-32-6 222285 144207762 A A Erythritol OC[C@@H](O)[C@@H](O)CO Tox21_200564 -NCGC00257762-01 196701997 tox21-ror-cho-viability-p1 set1 4 0.1897786503 5.1107866559 -1.1107866559 4 4.9549173134 0.5874505688 0.1222457893 0.3752774 -1.12790986 -1.28668894 -1.28455929 -1.75898888 -1.61728211 -1.52228989 7.06615456 8.60758278 2.79801438 -0.44383557 1.83141188 4.277296 4.00138585 0.32017996 1.162E-9 2.598E-9 5.8089999999E-9 1.299E-8 2.905E-8 6.495E-8 1.4519999999E-7 3.247E-7 7.2619999999E-7 0.000001624 0.0000036309999999 0.000008119 0.000018149999999 0.00004059 0.000090769999999 54143-56-5 41022 144207406 A A Flecainide acetate CC(=O)O.FC(F)(F)COc2cc(C(=O)NCC1CCCCN1)c(OCC(F)(F)F)cc2 Tox21_200208 -NCGC00256056-01 196728504 tox21-ror-cho-viability-p1 set3 4 68.5896218971 -34.132083224 0 -34.132083224 4.9549173134 0.6725508244 0.051422266 -16.21662115 -1.82782369 -0.32684655 2.37949527 2.5899848 3.52129013 4.05531339 0.136828 4.02665495 0.344901 4.10844496 -1.63697279 -2.11769964 -0.33084633 -28.02673602 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2628-16-2 75821 144211934 A D 4-Ethenylphenyl acetate O=C(C)Oc1ccc(cc1)C=C Tox21_301617 -NCGC00255160-01 196728101 tox21-ror-cho-viability-p1 set3 4 0 -2.57819263 4.8746315 2.74297791 3.43951329 -3.86700314 -5.03654871 -4.65784384 -3.2788428 6.1669454 -5.10968196 -8.65949922 -4.0386663 -1.54061849 -0.233467 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 112-12-9 8163 144211702 A Ac 2-Undecanone CC(=O)CCCCCCCCC Tox21_301385 -NCGC00255808-01 196728104 tox21-ror-cho-viability-p1 set3 4 3.56169407 -0.63047884 3.65749955 -1.84678896 -2.22224698 -0.2779813 -2.2393877 1.49463767 -0.29571114 2.082889 2.3502892 -5.05519404 -2.58231242 2.93247287 3.7913835 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59337-93-8 101012 144212297 A A Methyl 3-sulfamoylthiophene-2-carboxylate O=S(N)(=O)c1ccsc1C(=O)OC Tox21_301980 -NCGC00091586-02 196728503 tox21-ror-cho-viability-p1 set3 4 0.14938403 -2.60831285 -0.48616522 -1.14814277 -1.09719913 0.47843689 1.24155932 2.10861492 1.16515842 -0.30097497 -1.68889518 0.8503582 -0.16333124 -3.33514177 -2.99211381 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00255482-01 196728512 tox21-ror-cho-viability-p1 set3 4 54.4826732819 9.7287219519 -0.7287219519 9 4.9549173134 0.3559849025 0.3160802215 -1.2754977 6.56620036 1.63448466 -3.70065674 -0.006672 2.25229423 -2.75351712 -4.14630109 2.90631927 -4.77393496 1.05525817 -3.7894314 -1.08080605 1.25504291 8.32209282 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4468-42-2 20546 144211543 A Fc 3-Phenylhexane CCC(CCC)c1ccccc1 Tox21_301226 -NCGC00244579-01 196728517 tox21-ror-cho-viability-p1 set3 -3 68.5896218971 -124.694541244 3.8930713696 -120.8014698744 4.5044702849 0.9051740407 0.0002461842 -0.98002453 -15.93532749 -11.36034212 6.22536918 15.35642812 9.61406956 10.01635149 7.35789079 5.62986861 11.14808757 10.32417273 2.12688217 2.22646487 -7.44910847 -95.87418244 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00255348-01 196728520 tox21-ror-cho-viability-p1 set3 4 -2.95441183 3.15011834 -1.48920389 -1.45400179 -1.22974198 -3.18503125 11.91885687 -5.34823259 1.5654229 -4.78754664 -5.43554323 3.29499833 2.36270441 -1.12124954 2.13168772 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76824-35-6 3325 144212144 A A Famotidine N/C(N)=N/c1nc(CSCCC(\N)=N/S(N)(=O)=O)cs1 Tox21_301827 -NCGC00255428-01 196728913 tox21-ror-cho-viability-p1 set3 4 -6.01691055 -3.20253913 -1.21043091 0.01999734 -4.98550336 3.90045581 -4.25772851 3.97703645 6.08073553 4.04851247 -0.86018722 -6.46641495 2.91540079 -6.94027793 3.11483465 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 71283-80-2 91707 144211886 A B Fenoxaprop-P-ethyl O=C(OCC)[C@@H](C)Oc1ccc(cc1)Oc2nc3ccc(Cl)cc3o2 Tox21_301569 -NCGC00256292-01 196728928 tox21-ror-cho-viability-p1 set3 2.2 24.3365162115 47.496284723 2.057623245 49.553907968 0.9999999999 0.8088761137 0.0065563989 -2.76812702 4.76805628 6.2389423 10.36659717 6.1368119 3.44524371 2.41626727 -0.00739687 4.30258823 15.76803972 -3.55931222 19.6451093 20.38432803 32.63226059 39.8647296 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55-16-3 6852406 144212543 A A Scopolamine hydrochloride Cl.OC[C@H](c1ccccc1)C(=O)O[C@H]2C[C@@H]3N(C)[C@H](C2)[C@H]4O[C@@H]34 Tox21_302226 -NCGC00256097-01 196728929 tox21-ror-cho-viability-p1 set3 4 -0.21668122 0.91557606 0.41245613 0.66436443 2.68619657 0.046479 3.00200086 1.42239787 2.96408794 1.37665872 2.60216166 -0.82551091 -0.70316687 -0.99778585 8.87650304 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 1124-11-4 14296 144212630 A A Tetramethylpyrazine Cc1nc(C)c(C)nc1C Tox21_302313 -NCGC00260303-01 196724842 tox21-ror-cho-viability-p1 set3 4 0.005024148 14.10515788 -10.60515788 3.5 0.7999999999 0.8068794584 0.0069703529 -7.1709649 -7.08444694 -0.30182091 -1.40845849 -0.05945162 0.57583004 3.15473708 5.89679975 -0.55087231 2.03318845 2.81387408 4.80283141 4.26265491 3.35119742 4.90932904 1.214E-9 2.7139999999E-9 6.0679999999E-9 1.357E-8 3.034E-8 6.7849999999E-8 1.517E-7 3.3919999999E-7 7.586E-7 0.000001696 0.000003793 0.0000084809999999 0.00001896 0.000042399999999 0.000094819999999 19355-69-2 88022 144209954 Ac 2-Amino-2-methylpropionitrile N#CC(C)(C)N Tox21_202756 -NCGC00260510-01 196724429 tox21-ror-cho-viability-p1 set3 4 -5.38021646 3.33596967 1.27550913 0.87743572 2.7977866 4.5348611 -0.20876969 7.67456502 -0.0806998 0.39322198 -4.72939241 -1.90210894 -1.70400293 -1.18530556 -1.40957968 5.916E-11 1.3229999999E-10 2.9579999999E-10 6.6149999999E-10 1.479E-9 3.307E-9 7.3949999999E-9 1.6539999999E-8 3.698E-8 8.268E-8 1.849E-7 4.134E-7 9.244E-7 0.000002067 0.000004622 131-09-9 8553 144210162 A 2-Chloroanthraquinone Clc2ccc3C(=O)c1ccccc1C(=O)c3c2 Tox21_202964 -NCGC00258953-01 196706267 tox21-ror-cho-viability-p1 set1 -2.1 43.1011428733 -79.4489219367 2.8659324495 -76.5829894872 2.2526478767 0.9728523244 2.749E-7 1.3648487 7.11780155 8.98211655 -4.20754218 1.8183038 0.71816797 3.89731827 5.25796989 5.22064758 0.14541268 1.2302953 3.6190732 -7.18945311 -36.27050481 -63.69923446 1.1759999999E-9 2.6289999999E-9 5.878E-9 1.314E-8 2.9389999999E-8 6.572E-8 1.4699999999E-7 3.2859999999E-7 7.3479999999E-7 0.000001643 0.000003674 0.000008215 0.00001837 0.00004108 0.00009185 3194-55-6 18529 144208600 A A 1,2,5,6,9,10-Hexabromocyclododecane BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br Tox21_201402 -NCGC00259642-01 196705861 tox21-ror-cho-viability-p1 set1 4 1.15101548 1.12977454 3.53428979 4.16091384 3.68237383 -4.30455961 0.28841005 0.09266014 3.62979742 12.95690021 1.11735741 1.38810168 -0.08815422 0.19404278 -0.45279046 1.1989999999E-9 2.6809999999E-9 5.9959999999E-9 1.3409999999E-8 2.998E-8 6.703E-8 1.4989999999E-7 3.352E-7 7.495E-7 0.000001676 0.000003747 0.0000083789999999 0.000018739999999 0.000041899999999 0.00009368 5392-40-5 8843 144209291 A I 3,7-Dimethyl-2,6-octadienal C\C(C)=C\CCC(C)=CC=O Tox21_202093 -NCGC00258928-01 196705865 tox21-ror-cho-viability-p1 set1 4 1.20463044 3.19688514 2.62559861 0.19854461 0.14739527 1.15618377 0.28326925 2.79619687 7.5762487 2.27757448 4.72786869 -1.35491586 2.8232498 0.8766655 -2.73017513 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.481E-7 3.311E-7 7.4029999999E-7 0.000001655 0.000003701 0.0000082769999999 0.00001851 0.00004138 0.00009253 2702-72-9 23676704 144208575 Ac Ac 2,4-D sodium salt [Na+].Clc1cc(Cl)ccc1OCC([O-])=O Tox21_201377 -NCGC00259402-01 196706263 tox21-ror-cho-viability-p1 set1 4 -0.30048082 -5.46704404 -4.67787854 0.01217444 -7.98415011 -7.92103098 -4.03305063 -1.82086145 3.51021035 -1.10053708 -9.86613636 0.45088402 3.54937371 -2.90360556 3.94231734 1.171E-9 2.617E-9 5.8529999999E-9 1.3089999999E-8 2.926E-8 6.544E-8 1.463E-7 3.2719999999E-7 7.316E-7 0.0000016359999999 0.000003658 0.00000818 0.00001829 0.0000409 0.00009145 95-16-9 7222 144209051 A Benzothiazole c1cccc2scnc12 Tox21_201853 -NCGC00259647-01 196706277 tox21-ror-cho-viability-p1 set1 4 -0.87928689 -2.99180788 4.7694065 -0.23945289 -0.12050593 0.66009223 0 0.656568 -15.9200483 0.43969591 0.9667129 0.88994322 0.95601788 1.43420915 -1.84490731 1.183E-9 2.645E-9 5.9149999999E-9 1.323E-8 2.9569999999E-8 6.613E-8 1.479E-7 3.306E-7 7.393E-7 0.0000016529999999 0.000003697 0.000008266 0.00001848 0.00004133 0.000092409999999 1610-18-0 4928 144209296 A A Prometon COc1nc(NC(C)C)nc(NC(C)C)n1 Tox21_202098 -NCGC00259051-01 196706284 tox21-ror-cho-viability-p1 set1 4 2.06387975 0.20976957 -3.66096485 -0.51535176 0.24948399 -3.78639207 -1.28183629 -1.79907855 7.28080216 15.37956029 -1.1889734 0.10828651 1.46267487 -3.26024624 -1.79488408 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004128 0.00009231 54827-17-7 41206 144208698 A A 3,3',5,5'-Tetramethylbenzidine Cc1cc(cc(C)c1N)c2cc(C)c(N)c(C)c2 Tox21_201500 -NCGC00259412-01 196706679 tox21-ror-cho-viability-p1 set1 4 4.61405527 -0.05181732 4.71744322 0.25187914 0.83645092 -0.74442992 -0.07161799 -0.06072216 -1.14046602 0 0.12456814 1.29618912 2.59094236 3.72766035 -4.65056959 1.179E-9 2.6359999999E-9 5.895E-9 1.318E-8 2.9479999999E-8 6.591E-8 1.474E-7 3.295E-7 7.369E-7 0.000001648 0.000003684 0.000008239 0.00001842 0.00004119 0.00009211 118-82-1 8372 144209061 A F 4,4'-Methylenebis(2,6-di-t-butylphenol) CC(C)(C)c1cc(cc(c1O)C(C)(C)C)Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C Tox21_201863 -NCGC00259959-01 196706701 tox21-ror-cho-viability-p1 set1 4 2.77408622 10.8806481 -0.70987028 0.02743024 7.00662344 3.29050121 0.82970808 1.23335555 -0.25453093 15.5074511 -1.22259709 0.06601418 -0.78498136 1.4460646 1.05302564 1.172E-9 2.622E-9 5.862E-9 1.311E-8 2.931E-8 6.554E-8 1.466E-7 3.277E-7 7.328E-7 0.0000016389999999 0.000003664 0.000008193 0.00001832 0.00004096 0.000091599999999 2778-42-9 17719 144209608 F 1,3-Bis(2-isocyanatopropan-2-yl)benzene CC(C)(\N=C=O)c1cccc(c1)C(C)(C)/N=C=O Tox21_202410 -NCGC00259469-01 196706710 tox21-ror-cho-viability-p1 set1 4 -4.55703497 -2.47577114 -7.98766469 -13.44721408 -7.17864427 -6.25216433 -2.22350115 -4.57743113 -3.04765248 -16.58341285 -4.72723688 -1.16209546 0.18125296 -2.2502483 -1.05675602 1.1859999999E-9 2.653E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001854 0.00004145 0.00009268 95-93-2 7269 144209118 AC Ac 1,2,4,5-Tetramethylbenzene Cc1cc(C)c(C)cc1C Tox21_201920 -NCGC00259151-01 196706289 tox21-ror-cho-viability-p1 set1 4 0.1376897549 29.780441884 -24.280441884 5.5 0.2 0.6191872617 0.083679542 -20.23370157 -9.23863427 -13.66735834 -19.45070736 -9.63289428 -6.5029977 -7.73366496 -8.6721117 -4.81668999 -13.90938073 -2.59621539 -4.47635474 -2.89798056 2.3637444 -3.02011517 1.1859999999E-9 2.651E-9 5.929E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.000003705 0.000008286 0.00001853 0.000041429999999 0.00009264 110-97-4 8086 144208800 A A Diisopropanolamine CC(O)CNCC(C)O Tox21_201602 -NCGC00258836-01 196706293 tox21-ror-cho-viability-p1 set1 4 0.1102567514 9.189028536 -10.189028536 -1 1.4641 0.5217651831 0.1596113159 -11.40752378 -9.1001266 -8.13045884 -9.72775281 -10.93345239 -7.40029618 -3.08261502 -2.07287673 -3.0706949 -9.32053301 8.18981018 1.25305134 0.40000132 -6.57816453 -0.71946686 1.194E-9 2.6689999999E-9 5.969E-9 1.335E-8 2.985E-8 6.6739999999E-8 1.4919999999E-7 3.337E-7 7.4609999999E-7 0.000001668 0.0000037309999999 0.000008342 0.00001865 0.00004171 0.000093269999999 110-65-6 8066 144208482 B B 2-Butyne-1,4-diol OCC#CCO Tox21_201284 -NCGC00259872-01 196706312 tox21-ror-cho-viability-p1 set1 4 61.6904908231 -25.038463364 1.5 -23.538463364 4.9549173134 0.6026713818 0.0949995605 4.03102929 6.6680207 2.82582317 5.89951696 4.27728191 -1.31439808 -0.71527459 3.425787 -12.48174506 -0.27704247 -1.47788882 3.14385527 2.62117556 -1.55806196 -20.44871947 1.189E-9 2.6589999999E-9 5.946E-9 1.3289999999E-8 2.973E-8 6.647E-8 1.486E-7 3.3239999999E-7 7.4319999999E-7 0.000001662 0.000003716 0.000008309 0.000018579999999 0.000041549999999 0.0000929 122-66-7 31222 144209521 D 1,2-Diphenylhydrazine N(Nc1ccccc1)c2ccccc2 Tox21_202323 -NCGC00256815-01 196707120 tox21-ror-cho-viability-p1 set1 4 4.36085346 0.26495474 1.03820912 0.81523606 3.02050693 3.78033575 0.27031069 1.23663884 5.49387294 6.28745897 1.66763342 2.41386261 -2.9159949 6.57305944 -0.5185735 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 28664-35-9 62835 144212817 Z F 4,5-Dimethyl-3-hydroxy-2,5-dihydrofuran-2-one O=C1OC(C)C(C)=C1O Tox21_302500 -NCGC00259141-01 196703209 tox21-ror-cho-viability-p1 set1 -1.1 30.1400227924 -80.4128447411 -10.392517134 -90.8053618751 4.9549173134 0.9741401185 2.081E-7 -5.24482547 -7.45418093 -13.75964445 -17.4620606 -9.08755305 -17.36909364 -10.9310253 -3.12147752 -13.13310618 -5.51026675 -10.67409434 -11.61505823 -13.27520923 -75.80203157 -94.58891862 1.164E-9 2.602E-9 5.818E-9 1.301E-8 2.909E-8 6.5049999999E-8 1.4549999999E-7 3.252E-7 7.2729999999E-7 0.0000016259999999 0.000003636 0.000008131 0.00001818 0.000040659999999 0.00009091 143-50-0 299 144208790 A F Kepone O=C2C1(Cl)C3(Cl)C5(Cl)C1(Cl)C4(Cl)C2(Cl)C3(Cl)C4(Cl)C5(Cl)Cl Tox21_201592 -NCGC00257771-01 196702791 tox21-ror-cho-viability-p1 set1 4 -3.15320182 -0.30499241 1.2831829 -0.60471389 3.05958746 3.76461629 1.06895034 -1.14592148 -1.02896189 -4.18321349 1.84470991 0.15347348 -1.71497768 4.03323482 3.59045891 1.203E-9 2.69E-9 6.015E-9 1.345E-8 3.0079999999E-8 6.725E-8 1.504E-7 3.3629999999E-7 7.519E-7 0.0000016809999999 0.000003759 0.000008406 0.0000188 0.00004203 0.000093989999999 140-29-4 8794 144207415 A A Benzyl cyanide N#CCc1ccccc1 Tox21_200217 -NCGC00260206-01 196703616 tox21-ror-cho-viability-p1 set1 -2.1 27.3615673809 -105.2848509615 -1.748714534 -107.0335654955 1.6258976909 0.9810566282 3.47E-8 -0.01135149 -4.19109821 3.5980528 -0.32843718 0.43325128 0.13243469 1.13675131 -3.97074837 -0.96895656 -12.26200846 -7.85923054 -19.82795332 -33.03173204 -76.62742516 -93.88909254 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.605E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004128 0.00009231 404001-49-6 60196379 144209856 A A 1-Methyl-3-tetradecylimidazolium bis(trifluoromethylsulfonyl)imide FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C[n+]1ccn(CCCCCCCCCCCCCC)c1 Tox21_202658 -NCGC00357004-01 196703624 tox21-ror-cho-viability-p1 set1 4 -1.29559182 3.74854372 -0.29126915 -0.56982814 -5.29541996 -3.71744015 -4.52520724 -0.11250508 -0.09422913 -0.24094748 4.61459895 -0.65690459 1.0934598 1.11812374 0.50679807 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140939-15-7 23664984 251919987 C Alachlor ESA, sodium salt [Na+].[O-]S(=O)(=O)CC(=O)N(COC)c1c(cccc1CC)CC Tox21_303958 -NCGC00258225-01 196703627 tox21-ror-cho-viability-p1 set1 4 13.6158713715 -10.967070216 1.5 -9.467070216 3.5117481694 0.5839771926 0.1090623095 4.66751862 4.3774735 -5.30628302 -2.85834749 2.41765701 -0.49713233 -0.66201975 7.64688304 2.12137652 -2.64462408 2.4282189 2.91197816 -7.98760776 -7.79098107 -10.38922518 1.175E-9 2.628E-9 5.876E-9 1.314E-8 2.938E-8 6.5699999999E-8 1.469E-7 3.285E-7 7.345E-7 0.000001642 0.000003673 0.0000082119999999 0.000018359999999 0.00004106 0.000091819999999 4252-78-2 20250 144207869 D 2,2',4'-Trichloroacetophenone O=C(CCl)c1ccc(Cl)cc1Cl Tox21_200671 -NCGC00260375-01 196703631 tox21-ror-cho-viability-p1 set1 4 -3.74244913 -9.00553794 -2.61906396 -7.2858388 -4.40986487 -13.03953107 -5.8687938 -2.33315966 -9.80497915 -16.4541045 -11.20753911 -4.11181853 -13.46455649 -5.43454181 -10.57319819 1.18E-9 2.6389999999E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.598E-8 1.475E-7 3.299E-7 7.3769999999E-7 0.0000016499999999 0.000003688 0.000008248 0.00001844 0.00004124 0.000092209999999 3789-59-1 6993773 144210027 A Fc (S)-(-)-1-Amino-1-phenylpropane N[C@@H](CC)c1ccccc1 Tox21_202829 -NCGC00357168-01 196703633 tox21-ror-cho-viability-p1 set1 4 2.47412558 3.66616181 0.59904984 1.40841837 -8.63985794 1.44352061 -0.60228662 3.85728718 0.75686075 -0.12678437 -0.14545021 1.5195494 5.35903637 3.94323094 2.02925461 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19721-22-3 88211 251919883 A 3-Mercapto-1-propanol OCCCS Tox21_303927 -NCGC00260054-01 196704026 tox21-ror-cho-viability-p1 set1 4 -3.77517057 -0.01415454 0.1826406 -0.22407339 -0.20110737 -0.4102757 0.76248269 0.95015431 -3.47325685 0.30682247 -3.57854713 -0.2467196 4.0928113 -0.06758875 4.45230656 5.97E-10 1.335E-9 2.9849999999E-9 6.675E-9 1.4919999999E-8 3.3369999999E-8 7.462E-8 1.669E-7 3.7309999999E-7 8.343E-7 0.000001866 0.0000041719999999 0.000009328 0.00002086 0.00004664 53-70-3 5889 144209703 F A Dibenz(a,h)anthracene c1c4c5ccccc5ccc4cc3c1ccc2ccccc23 Tox21_202505 -NCGC00260641-01 196704041 tox21-ror-cho-viability-p1 set1 4 -0.47513504 -1.57868926 1.34290333 0.03797251 0.52506438 2.24743152 2.84245262 1.07396265 1.96718834 1.98971685 6.43906334 1.55718475 2.30533772 5.14301685 4.99579027 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49537 144210294 M M NTP Mix82 ER AR1 18-EQC Tox21_203096 -NCGC00260415-01 196704049 tox21-ror-cho-viability-p1 set1 4 -0.58376367 0.82276658 -11.4515573 2.94546126 -9.60027743 -1.09640315 -8.91513023 -0.60220141 1.46341038 -2.08344072 0.29331444 1.66979254 -7.22444111 -9.22785025 -10.51064224 1.191E-9 2.663E-9 5.954E-9 1.331E-8 2.977E-8 6.657E-8 1.489E-7 3.3289999999E-7 7.4429999999E-7 0.0000016639999999 0.000003721 0.0000083209999999 0.00001861 0.000041609999999 0.00009304 764-85-2 69819 144210067 F F Nonanoyl chloride ClC(=O)CCCCCCCC Tox21_202869 -NCGC00257822-01 196702406 tox21-ror-cho-viability-p1 set1 4 16.9315086843 5.6112001399 -2.1112001399 3.5 4.9549173134 0.3844996799 0.289772992 -4.31582979 -1.77391169 -4.52371268 -0.81285367 3.13738573 -2.25052168 -1.28712418 0.22354692 0.15051822 -2.53781177 -2.89422635 -8.00933345 2.31374804 2.26031295 4.05224216 1.163E-9 2.5999999999E-9 5.8139999999E-9 1.2999999999E-8 2.9069999999E-8 6.5E-8 1.453E-7 3.25E-7 7.267E-7 0.000001625 0.000003634 0.000008125 0.00001817 0.000040619999999 0.00009084 101-68-8 7570 144207466 D 4,4'-Diphenylmethane diisocyanate O=C=N/c1ccc(cc1)Cc2ccc(/N=C=O)cc2 Tox21_200268 -NCGC00258146-01 196702396 tox21-ror-cho-viability-p1 set1 4 19.4098439102 -23.6219181719 1 -22.6219181719 0.5999999999 0.8853535194 0.0006367253 -0.89148576 0.05922021 -0.18801669 4.08773779 0.81288818 1.52211268 -2.92237871 0.72504291 -2.77287721 -2.50530491 -5.59468112 -10.88062062 -9.6847697 -9.86456392 -18.43493181 1.1839999999E-9 2.647E-9 5.9189999999E-9 1.323E-8 2.959E-8 6.617E-8 1.4799999999E-7 3.309E-7 7.398E-7 0.0000016539999999 0.0000036989999999 0.000008272 0.0000185 0.00004136 0.00009248 244193-56-4 11461044 144207790 D 1-Decyl-3-methylimidazolium tetrafluoroborate F[B-](F)(F)F.C[n+]1ccn(CCCCCCCCCC)c1 Tox21_200592 -NCGC00258386-01 196702400 tox21-ror-cho-viability-p1 set1 4 6.85529979 0.95335185 2.2088672 1.88502034 0.2159095 -0.3282325 1.8664147 -3.70812009 -1.11515439 1.07667085 2.65394059 1.85609882 5.25343616 0.66881597 2.76100371 1.1859999999E-9 2.653E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001854 0.00004145 0.00009268 622-51-5 12148 144208030 A A p-Tolylurea O=C(N)Nc1ccc(C)cc1 Tox21_200832 -NCGC00257692-01 196729761 tox21-ror-cho-viability-p1 set3 4 49.1014269888 -12.600502972 -1 -13.600502972 2.4063783767 0.6066963664 0.0931667067 -0.16921384 -6.90559236 0.07761716 -4.68408585 -1.13000378 -0.33816992 0.40234522 0.11308723 -0.44331039 0.40472874 -0.56276657 1.94285155 1.00032367 -7.64282802 -10.91708581 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.33E-7 7.446E-7 0.000001665 0.0000037229999999 0.000008324 0.00001861 0.00004162 0.000093069999999 2213-63-0 16659 144207336 B 2,3-Dichloroquinoxaline Clc1nc2ccccc2nc1Cl Tox21_200138 -NCGC00257616-01 196729335 tox21-ror-cho-viability-p1 set3 4 -4.76833185 -0.70167653 2.35967533 -9.54243084 0.46273523 -10.19312125 -17.58178816 -0.06619283 0 -1.85634297 -1.92111076 0 -13.68866547 -2.49189572 -2.19586861 1.165E-9 2.6039999999E-9 5.8229999999E-9 1.302E-8 2.912E-8 6.5109999999E-8 1.456E-7 3.255E-7 7.2789999999E-7 0.000001628 0.00000364 0.0000081379999999 0.0000182 0.00004069 0.00009099 149-73-5 9005 144207260 FNS Trimethoxymethane COC(OC)OC Tox21_200062 -NCGC00257737-01 196729337 tox21-ror-cho-viability-p1 set3 4 -3.3781371 -0.22576231 -3.246966 0.6774159 -0.46854495 -0.37729443 -4.73842415 -4.36965418 -6.48939065 -5.36330124 -0.96565045 -0.54831393 -4.37840239 0.28073493 -0.5066001 1.133E-9 2.533E-9 5.6639999999E-9 1.2659999999E-8 2.832E-8 6.332E-8 1.416E-7 3.1659999999E-7 7.0789999999E-7 0.000001583 0.00000354 0.000007915 0.0000177 0.00003958 0.000088489999999 11096-82-5 38018 144207381 D Aroclor 1260 Clc2ccc(c1ccc(Cl)c(Cl)c1Cl)c(Cl)c2Cl Tox21_200183 -NCGC00257599-01 196729759 tox21-ror-cho-viability-p1 set3 4 -12.75160932 -13.95143427 -3.89091608 -4.49343821 -4.23108974 -6.05867469 -2.80117515 -23.19898024 -6.98899374 -0.51489676 0 -4.6406697 -12.82623899 -16.24688938 -22.56854127 1.189E-9 2.658E-9 5.9439999999E-9 1.3289999999E-8 2.9719999999E-8 6.646E-8 1.486E-7 3.323E-7 7.4299999999E-7 0.0000016609999999 0.0000037149999999 0.000008307 0.000018579999999 0.00004154 0.000092879999999 81-84-5 6693 144207243 A I 1H,3H-Naphtho(1,8-cd)pyran-1,3-dione O=C3OC(=O)c2cccc1cccc3c12 Tox21_200045 -NCGC00258172-01 196729763 tox21-ror-cho-viability-p1 set3 4 11.1587813883 9.2035343159 -0.2035343159 9 4.9549173134 0.5936439237 0.1168564528 -4.76408255 2.67588958 0.29112275 -0.37571848 1.17076844 0.83783761 0.19929792 1.01834886 1.95810792 1.73749544 -5.16961193 1.1574664 11.24096124 6.02604522 0.45858918 1.206E-9 2.697E-9 6.0309999999E-9 1.349E-8 3.016E-8 6.743E-8 1.5079999999E-7 3.372E-7 7.539E-7 0.0000016859999999 0.00000377 0.000008429 0.00001885 0.000042149999999 0.000094239999999 110-13-4 8035 144207816 A A 2,5-Hexanedione CC(=O)CCC(C)=O Tox21_200618 -NCGC00257772-01 196729768 tox21-ror-cho-viability-p1 set3 4 -6.31767039 -4.24796034 -4.13216054 -8.45011505 -3.40647884 -2.66273061 -0.54901766 -6.69198872 -5.66092166 0.35212545 -2.36858635 -5.5616482 -1.02607639 -8.9466317 -20.3709901 1.154E-9 2.5799999999E-9 5.7679999999E-9 1.29E-8 2.884E-8 6.449E-8 1.4419999999E-7 3.225E-7 7.21E-7 0.000001612 0.000003605 0.000008061 0.00001803 0.00004031 0.000090129999999 3018-12-0 18177 144207416 B Dichloroacetonitrile ClC(Cl)C#N Tox21_200218 -NCGC00257787-01 196729769 tox21-ror-cho-viability-p1 set3 4 0.28742881 0.79752951 3.52690294 0.4709161 0.70808367 2.73798647 1.09586621 0.07341448 0.85639832 -1.1462285 -0.98404096 -0.38914006 3.10190975 2.03981741 -0.73870333 1.1919999999E-9 2.6659999999E-9 5.9609999999E-9 1.333E-8 2.981E-8 6.6649999999E-8 1.49E-7 3.3329999999E-7 7.452E-7 0.0000016659999999 0.000003726 0.0000083309999999 0.00001863 0.00004166 0.00009315 1477-42-5 15132 144207431 A A 2-Amino-4-methylbenzothiazole Cc1cccc2sc(N)nc12 Tox21_200233 -NCGC00257816-01 196730178 tox21-ror-cho-viability-p1 set3 4 0.3511167993 -8.0090945159 6.5 -1.5090945159 1.0999999999 0.5986704226 0.0984645568 5.08182423 2.13219586 10.20839747 8.2529401 4.02761919 8.66419109 2.77454913 3.23155923 -0.80045668 -0.40292048 0.99938383 0.0999182 1.76643573 -7.92424543 -1.13783563 1.2009999999E-9 2.6849999999E-9 6.0029999999E-9 1.3419999999E-8 3.002E-8 6.712E-8 1.501E-7 3.356E-7 7.5039999999E-7 0.0000016779999999 0.0000037519999999 0.00000839 0.00001876 0.00004195 0.000093799999999 5834-17-3 22086 144207460 A A 2-Methoxy-3-aminodibenzofuran COc1cc2c3ccccc3oc2cc1N Tox21_200262 -NCGC00259604-01 196708752 tox21-ror-cho-viability-p1 set2 4 21.4255219831 -13.681049776 5 -8.681049776 0.3 0.6304077801 0.0774758783 5.1639936 2.6495297 6.78438996 4.75633774 3.30894784 -0.47081747 0 2.9137884 0.54896027 0.06830522 2.18179631 1.1443168 0.89872527 -4.02099922 -5.56754148 1.1679999999E-9 2.6109999999E-9 5.8389999999E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.299E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.000040799999999 0.000091239999999 89-62-3 6978 144209253 A A 4-Methyl-2-nitroaniline O=[N+]([O-])c1cc(C)ccc1N Tox21_202055 -NCGC00259970-01 196709154 tox21-ror-cho-viability-p1 set2 4 2.30168956 4.35963575 2.62428156 -6.44116853 -9.09893544 -0.14009861 -9.26436362 -1.03111556 4.6605813 1.68487916 -7.20622047 -7.8104861 -8.16419905 1.00863602 -7.74909547 1.185E-9 2.649E-9 5.923E-9 1.324E-8 2.962E-8 6.622E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 21245-02-3 30541 144209619 A A 2-Ethylhexyl 4-(dimethylamino)benzoate CN(C)c1ccc(cc1)C(=O)OCC(CC)CCCC Tox21_202421 -NCGC00259598-01 196709171 tox21-ror-cho-viability-p1 set2 4 -0.35557071 -2.36903198 -1.35582972 -0.25803304 -0.04497198 -0.63236068 0.49059674 -1.39740817 0.26350316 -4.95756692 -0.88175999 -0.64298063 -0.30842471 0.01772892 -0.1685703 1.214E-9 2.715E-9 6.07E-9 1.357E-8 3.035E-8 6.786E-8 1.517E-7 3.393E-7 7.587E-7 0.000001697 0.000003794 0.000008483 0.00001897 0.00004242 0.000094839999999 77-71-4 6491 144209247 A A 5,5-Dimethylhydantoin O=C1NC(=O)C(C)(C)N1 Tox21_202049 -NCGC00091468-02 196709568 tox21-ror-cho-viability-p1 set2 4 -6.77519646 -4.55312856 -7.93274576 -1.75090936 -0.68933909 -0.0853696 -0.10939989 -0.29567267 -0.00790942 -2.96968682 -2.2339403 -0.9232409 -0.90908931 0.17653475 0.29204538 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00259720-01 196709579 tox21-ror-cho-viability-p1 set2 4 -0.97079207 -4.09255613 -3.88101261 -3.4707556 -0.02652605 -0.65648571 -0.73733144 -1.54344229 -0.12151352 -0.60119391 -0.81996433 0.77814597 1.0808625 -0.36146829 -6.34753188 1.164E-9 2.602E-9 5.818E-9 1.301E-8 2.909E-8 6.5049999999E-8 1.454E-7 3.252E-7 7.2719999999E-7 0.0000016259999999 0.000003636 0.000008131 0.00001818 0.00004065 0.0000909 60-33-3 5280450 144209369 A A Linoleic acid O=C(O)CCCCCCC/C=C\C/C=C\CCCCC Tox21_202171 -NCGC00257412-01 196707114 tox21-ror-cho-viability-p1 set1 4 0.25570335 2.00710114 1.43275554 0.41505602 0.45758698 0.32996209 4.25039352 8.9516956 -8.32557366 2.10770047 3.32170583 3.3150924 0.87410141 0.41866242 3.9146061 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 39515-51-0 38284 144213665 Cc Ac 3-Phenoxybenzaldehyde O=Cc2cc(Oc1ccccc1)ccc2 Tox21_303348 -NCGC00256856-01 196707104 tox21-ror-cho-viability-p1 set1 -2.4 68.5896218971 -30.9612772359 3 -27.9612772359 4.9549173134 0.8653666719 0.0013702122 3.60926579 1.89568682 0.6092711 3.76006082 -2.23372392 0.29010136 5.95996651 2.6642037 1.88630263 2.67803831 0.63362628 5.5789696 6.68783257 4.06541651 -22.46773103 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 564-20-5 929262 144212861 A A (3aR)-(+)-Sclareolide O=C1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O1 Tox21_302544 -NCGC00256835-01 196707111 tox21-ror-cho-viability-p1 set1 4 -2.5671257 4.5602224 3.14046472 5.25791406 -2.15144218 -2.38262585 -2.6139888 3.83200464 3.61549758 0.4960289 2.19482511 3.19377092 4.15552555 4.79920713 -1.3312926 1.097E-9 2.4529999999E-9 5.485E-9 1.2269999999E-8 2.7429999999E-8 6.133E-8 1.371E-7 3.0659999999E-7 6.857E-7 0.0000015329999999 0.0000034279999999 0.000007666 0.00001714 0.000038329999999 0.000085709999999 143983-91-9 60196432 144212818 Indium(III) chloride hydrate O.O.Cl[In](Cl)Cl Tox21_302501 -NCGC00256831-01 196707113 tox21-ror-cho-viability-p1 set1 4 -0.41924182 0.56074156 -0.40931471 1.40656754 -1.8040666 0.3638526 0.00201602 -1.47718819 0.16185168 3.15611453 2.75968609 4.55280803 2.88318396 -1.01266479 3.18110122 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78761-38-3 5355850 144212761 A D (2E)-3-Phenylprop-2-en-1-yl propanoate CCC(=O)OC\C=C\c1ccccc1 Tox21_302444 -NCGC00256578-01 196707118 tox21-ror-cho-viability-p1 set1 4 68.5896218971 13.898849952 0.601150048 14.5 4.9549173134 0.4113862105 0.2620417969 -2.13525181 8.49186398 -2.83237496 -1.7325984 2.1277329 -2.78201232 8.06169745 0.25207848 0.38972405 1.09766484 0.04954785 2.04764261 -1.84293152 1.30031274 12.01902 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-64-1 7517 144213332 A A Cyclohexanone oxime O\N=C1/CCCCC1 Tox21_303015 -NCGC00256921-01 196707511 tox21-ror-cho-viability-p1 set1 4 2.39826312 1.68145355 2.84776381 1.61439512 -0.04241348 2.01298876 -0.20437531 0.2067748 2.19691614 1.79543275 2.17479862 4.27945036 1.31827488 3.54964086 3.51196223 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 13679-70-4 61663 144212953 A F 5-Methyl-2-thiophenecarboxaldehyde Cc1ccc(C=O)s1 Tox21_302636 -NCGC00257334-01 196707518 tox21-ror-cho-viability-p1 set1 4 0.0015355304 -28.790469888 24 -4.790469888 4.0949729863 0.6377425181 0.0715682643 17.07257451 -2.33158794 2.79803244 -4.49993739 1.99702318 -2.52164572 -4.12236328 -5.71011267 -12.05639711 -5.22314903 -8.22189473 -4.53387823 -0.94222347 -5.98004547 -12.74205824 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 24615-84-7 90558 144213798 F Ac 2-Carboxyethyl acrylate O=C(O)CCOC(=O)C=C Tox21_303489 -NCGC00257380-01 196707520 tox21-ror-cho-viability-p1 set1 4 2.18493183 -0.96862948 1.04389256 -0.72721862 0.42230198 1.85366357 0.15876605 0.15479374 3.03521337 -0.53652702 1.54429922 -1.53684683 2.24642913 0.173386 3.48554136 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 19438-61-0 88069 144213710 A A 4-Methylphthalic anhydride Cc1ccc2C(=O)OC(=O)c2c1 Tox21_303399 -NCGC00094818-09 196704461 tox21-ror-cho-viability-p1 set1 4 0.7663275 -1.7828087 0.7243164 -1.8198116 -0.92021087 -5.1038581 -1.271743 1.17237014 -1.76230033 0.5283215 -1.7260845 0.49508439 0.45596819 1.79107326 -1.80019741 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84-16-2 192197 170466031 A Hexestrol Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c2ccc(O)cc2 Tox21_110377_1 -NCGC00167489-03 196704430 tox21-ror-cho-viability-p1 set1 4 0.40113837 -2.39949978 -3.4133154 -2.57312029 0.26858842 0.79708298 2.46594233 -3.39508187 0.22158676 0.4414576 2.71982973 0.56488944 0.4094654 -0.18950624 -6.82766336 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 135159-51-2 444005 170465973 A Sarpogrelate hydrochloride Cl.O=C(O)CCC(=O)OC(COc2ccccc2CCc1cccc(OC)c1)CN(C)C Tox21_112490_1 -NCGC00013082-04 196704859 tox21-ror-cho-viability-p1 set1 4 1.69206939 2.31428971 0.39375202 2.0032955 1.68855777 0.17907924 0.35546585 1.26010386 -0.05721924 -1.02978197 1.75455393 1.45743991 4.17416845 1.79371537 2.80721786 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4023-65-8 444212 170466847 Fc trans-Aconitic acid OC(=O)C(\CC(=O)O)=C\C(=O)O Tox21_113103_1 -NCGC00253714-01 196704450 tox21-ror-cho-viability-p1 set1 4 6.31646768 0.78422528 1.34360869 2.81315437 1.2218997 9.19059777 -0.12673476 3.11624051 2.3471065 2.06479355 1.24625802 1.893264 -0.5333185 6.38017727 2.87685596 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5588-21-6 6154037 170466163 A I Cintriamide COc1c(cc(cc1OC)/C=C/C(N)=O)OC Tox21_113833 -NCGC00164127-03 196704462 tox21-ror-cho-viability-p1 set1 -2.1 54.4826732819 -84.3475814409 -0.8635368139 -85.2111182548 2.7867712143 0.9743514023 1.987E-7 -2.15632758 0.86508222 -7.15093967 0.18459163 -3.06923563 -0.01813446 0.48975911 -4.13122472 1.87741696 1.3286645 0.85841118 4.15724825 -8.74861038 -26.45957837 -69.47811989 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00015045-09 196704858 tox21-ror-cho-viability-p1 set1 4 0.58045021 1.39917002 -0.08686038 -5.1937077 -7.58087494 -2.24672706 1.37801568 -3.49782574 0.71233218 0.42209619 -6.16355701 -1.8510505 -2.1413752 -0.78048228 -2.29511336 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 62-51-1 6114 170464971 Z Methacholine chloride [Cl-].C[N+](C)(C)CC(C)OC(=O)C Tox21_110348_1 -NCGC00248061-02 196704861 tox21-ror-cho-viability-p1 set1 4 0.0007497804 -11.8522458201 12 0.1477541799 3.6772481694 0.353752385 0.3184353777 8.76743111 1.4916094 0.97143412 0.95056994 0.60245682 1.05612124 0.72069963 -9.46020485 -1.03209681 -0.29074191 0.51161354 1.547407 0.4047689 5.34022266 1.33551038 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 112733-06-9 5724 170466650 A A Zenarestat Brc3ccc(CN2C(=O)c1ccc(Cl)cc1N(CC(=O)O)C2=O)c(F)c3 Tox21_113652 -NCGC00160682-02 196704869 tox21-ror-cho-viability-p1 set1 4 1.49676057 1.29935883 2.50276867 2.63221406 -0.31698828 5.98433007 1.06014679 4.9354248 0.09464164 3.63248056 5.45339594 2.0532502 3.2388751 2.89319839 2.40041214 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 94-14-4 7176 170466550 A Isocaine Nc1ccc(cc1)C(=O)OCC(C)C Tox21_111985_1 -NCGC00090780-04 196704871 tox21-ror-cho-viability-p1 set1 4 -4.55900371 -2.53497691 -3.97204123 -2.85019804 -3.8796588 -1.68024668 -3.08109665 -1.73910973 0.45443244 -1.27160461 -0.33669081 -2.93551264 -0.50339253 -0.90480478 0.62395395 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00163818-04 196704881 tox21-ror-cho-viability-p1 set1 -2.4 3.4376242854 -23.221968848 -2 -25.221968848 1.5094870999 0.962695033 0.0000016644 -4.90179563 0.10556271 -2.31316614 -4.87769131 -2.42171299 0.49340887 -3.87631232 0.44642248 -3.44013289 -9.22515056 -13.80047526 -20.72430325 -22.98607674 -22.95314542 -26.43497404 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 131860-33-8 3034285 144214048 A A Azoxystrobin O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2 Tox21_400087 -NCGC00094815-05 196705276 tox21-ror-cho-viability-p1 set1 -2.2 26.6032120037 -42.928063932 0.5 -42.428063932 1.752947691 0.9523579182 0.0000064704 -4.20197977 0.26331635 0.68273699 0.65796851 0.82389787 3.5420174 1.63393427 -0.34757481 3.69153123 0.42727486 -0.30394412 0.31848182 -8.15424955 -15.02257577 -32.02338661 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 521-74-4 2453 170466167 A Broxyquinoline Oc1c(Br)cc(Br)c2cccnc12 Tox21_111338_1 -NCGC00025195-06 196705278 tox21-ror-cho-viability-p1 set1 4 -0.06634178 0.12872006 2.97047258 -3.06074877 5.14177351 -0.83131246 -4.17193683 3.3148057 6.32450781 0.384065 6.07515764 2.79320614 -0.66857538 4.27818625 7.15006376 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 78712-43-3 6438130 170466054 A Ozagrel hydrochloride Cl.O=C(O)/C=C/c2ccc(Cn1ccnc1)cc2 Tox21_110693_1 -NCGC00160555-02 196705283 tox21-ror-cho-viability-p1 set1 4 -3.7027215 -0.7572031 0.89359111 0.15949065 0.65314072 -0.22558392 1.73649418 4.57688023 -1.77535689 6.44281436 -1.0138305 -0.73850549 0.84457879 -1.04874457 -0.18123159 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16915-70-1 9570327 170466422 F Nifursol O=[N+]([O-])c2ccc(/C=N/NC(=O)c1cc(cc([N+]([O-])=O)c1O)[N+]([O-])=O)o2 Tox21_111895_1 -NCGC00256736-01 196727540 tox21-ror-cho-viability-p1 set3 4 -0.47615876 -2.30664923 -0.50911229 2.96457345 -2.63521868 -2.43906123 -0.18274593 0.79710404 0.50988105 6.49054064 5.01129659 -0.9629224 -0.69183428 0.19713789 2.25235546 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4927-39-3 78640 144213941 A Ac 4-Cyclohexyl-4-methyl-pentan-2-one CC(=O)CC(C)(C)C1CCCCC1 Tox21_303636 -NCGC00260317-01 196724279 tox21-ror-cho-viability-p1 set3 4 21.7561324245 13.99141018 -3.99141018 10 0.2 0.4840232355 0.1957988869 -3.32617515 -1.34076673 -1.32416637 -2.18563125 -0.88862976 -0.06186238 1.23118086 0.64332046 -2.60679397 5.67762125 -1.7800288 3.32376418 2.15237646 0.86517226 7.0323154 1.183E-9 2.644E-9 5.913E-9 1.322E-8 2.9559999999E-8 6.611E-8 1.4779999999E-7 3.305E-7 7.3909999999E-7 0.0000016529999999 0.0000036949999999 0.000008263 0.00001848 0.00004132 0.00009239 2825-82-3 12561739 144209968 Fns Octahydro-exo-4,7-methano-1H-indene C2C[C@H]3[C@@H]1CC[C@H](C1)[C@H]3C2 Tox21_202770 -NCGC00260146-01 196724292 tox21-ror-cho-viability-p1 set3 4 43.1451273779 -14.904788736 1 -13.904788736 2.7202212143 0.6145104087 0.0872053328 -6.40564947 6.04691071 0.95533937 2.78600024 -0.07088742 -1.07474486 5.60894284 -1.29751359 -0.21018828 -0.0136785 2.51512365 2.6259401 0.17856596 -5.91987714 -12.42065728 1.177E-9 2.631E-9 5.883E-9 1.315E-8 2.9409999999E-8 6.5769999999E-8 1.471E-7 3.289E-7 7.3529999999E-7 0.0000016439999999 0.0000036769999999 0.000008221 0.000018379999999 0.00004111 0.00009192 7411-49-6 23892 144209796 A F 3,3',4,4'-Tetraaminobiphenyl tetrahydrochloride Cl.Cl.Cl.Cl.Nc1ccc(cc1N)c2ccc(N)c(N)c2 Tox21_202598 -NCGC00260480-01 196724297 tox21-ror-cho-viability-p1 set3 -2.4 12.1847484065 -32.320623888 2 -30.320623888 1.6266150999 0.8834091788 0.0006861012 -3.42785116 2.93652487 3.54244599 2.76631222 1.23584317 5.83244273 7.94802993 4.71435387 -4.93956441 -6.59504111 -1.64875407 -4.34325477 -23.14186342 -26.62481643 -28.18385324 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 573-58-0 11313 144210132 Z F C.I. Direct Red 28 [Na+].[Na+].[O-]S(=O)(=O)c5cc(/N=N/c1ccc(cc1)c2ccc(cc2)/N=N/c3cc(c4ccccc4c3N)S([O-])(=O)=O)c(N)c6ccccc56 Tox21_202934 -NCGC00091380-04 196724698 tox21-ror-cho-viability-p1 set3 4 -4.6704427 5.30823939 -1.34744363 -5.63517368 -2.22079363 8.04201544 8.13699492 3.55240039 -2.54231892 4.08412368 -0.91254285 1.35853659 -1.14276065 -3.4151857 -4.15088013 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139-65-1 8765 144213966 A A 4,4'-Thiodianiline Nc1ccc(cc1)Sc2ccc(N)cc2 Tox21_400005 -NCGC00091396-05 196725119 tox21-ror-cho-viability-p1 set3 4 0.0021131682 5.592324028 -4.092324028 1.5 2.2481167061 0.3449845739 0.328911883 -3.82693669 -2.35638128 -0.53255493 2.41284409 -0.91026494 4.03862228 -1.95715512 4.29491916 1.96570546 1.6350035 7.27574025 -0.19767687 -1.07183015 0.14172391 2.00514719 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 119-53-9 8400 170465507 F Benzoin OC(C(=O)c1ccccc1)c2ccccc2 Tox21_111126_1 -NCGC00091902-08 196725129 tox21-ror-cho-viability-p1 set3 4 0.93995037 2.02289932 -2.31944882 -1.82221165 2.45510449 4.49366303 -1.09427057 2.82276246 0.10708169 10.19738899 4.61120156 4.92756928 0.54475392 0.84849903 2.46510545 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-75-5 4004 144214009 D D Malathion CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Tox21_400048 -NCGC00161634-06 196725527 tox21-ror-cho-viability-p1 set3 4 0.0018833632 -9.8881895881 -1.5851675199 -11.473357108 4.9549173134 0.5952261903 0.1153524896 -3.35329633 -0.4876396 -12.25466535 -14.13684588 -8.16259769 -11.91586175 -11.31956706 -7.14301863 -13.58365964 -16.22779759 -14.91236023 -8.01018723 -9.7511258 -11.29873354 -6.42124151 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63968-64-9 5458876 170466204 A Artemisinin O=C4O[C@@H]3O[C@@]1(C)CC[C@H]2[C@H](C)CC[C@H](C23OO1)[C@H]4C Tox21_111750_1 -NCGC00249935-01 196725539 tox21-ror-cho-viability-p1 set3 4 0 0 -10.37787834 -3.93366114 -6.55534037 2.00022609 -6.90157427 -7.07524312 -0.58172114 1.95073286 2.30109203 -5.3686669 3.77341813 -6.87079162 -7.0763523 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3738-06-5 19536 170465887 A A Phenylacetylglycine dimethylamide CN(C)C(=O)CN(C(C)=O)c1ccccc1 Tox21_113711 -NCGC00179475-03 196725546 tox21-ror-cho-viability-p1 set3 4 5.8291023 5.40400681 2.92755167 2.02142675 -0.52048769 6.26159389 -0.09779369 9.62629257 5.87107656 14.63167075 13.19057435 6.60168476 5.28298632 8.14235628 -1.77903903 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3093-35-4 443943 170465389 A Halcinonide ClCC(=O)[C@@]54OC(C)(C)O[C@@H]5C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)CC[C@@]12C Tox21_110530_1 -NCGC00255564-01 196710403 tox21-ror-cho-viability-p1 set2 4 0.98581128 1.26034751 -1.27012426 2.00501322 -1.25330207 0.81793729 -1.45948177 3.67149393 -0.36743572 0.87439137 1.63102809 1.84839685 1.24726196 3.53606436 0.81638389 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 973-21-7 13783 144212541 A A Dinobuton CC(CC)c1cc(cc([N+]([O-])=O)c1OC(=O)OC(C)C)[N+]([O-])=O Tox21_302224 -NCGC00090776-02 196709987 tox21-ror-cho-viability-p1 set2 4 -0.21855689 1.48385205 2.18307677 2.17476582 2.39509688 5.02901397 0.50526183 0.20486144 1.03076143 -0.02399614 2.25228053 0.56541058 0.24952248 1.34928768 5.20995615 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00255646-01 196710000 tox21-ror-cho-viability-p1 set2 4 1.95027446 5.46257525 0.60507202 4.47113655 1.3772117 4.61891204 0.62147746 -0.62658967 0.26654619 2.49270637 1.13690986 -0.108092 1.40776433 1.00508028 3.02676742 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5973-71-7 22278 144211955 A F 3,4-Dimethylbenzaldehyde Cc1ccc(C=O)cc1C Tox21_301638 -NCGC00091253-05 196710399 tox21-ror-cho-viability-p1 set2 4 5.49016575 4.09754236 2.71298621 6.87083328 2.97149048 4.42511074 0.37673692 0.45798322 1.12921961 2.82283225 1.5063299 -0.63178581 0.99440008 0.01206818 2.88734685 1.15E-9 2.572E-9 5.751E-9 1.2859999999E-8 2.876E-8 6.4299999999E-8 1.438E-7 3.215E-7 7.1889999999E-7 0.0000016069999999 0.000003594 0.000008037 0.00001797 0.000040189999999 0.00008986 4460-86-0 20525 144214031 A A 2,4,5-Trimethoxybenzaldehyde COc1cc(OC)c(cc1OC)C=O Tox21_400070 -NCGC00255835-01 196710413 tox21-ror-cho-viability-p1 set2 4 0.0013768975 10.948852788 -9.448852788 1.5 4.9549173134 0.5456227666 0.141176041 -7.87404399 7.32462362 3.35979933 2.82777388 0.65195398 2.30717027 -0.74126287 1.11954169 -0.02362207 2.64665805 0.54237524 0.31291153 -0.07509149 1.47068875 2.85226967 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 138786-67-1 15008962 144212679 A A Pantoprazole sodium [Na+].COc3c(OC)ccnc3CS(=O)c1[n-]c2ccc(cc2n1)OC(F)F Tox21_302362 -NCGC00255172-01 196710813 tox21-ror-cho-viability-p1 set2 4 -5.37122538 1.12313887 -0.44272823 -0.52465585 0.6961192 -1.50296307 0.21004098 -5.99701913 -1.7487789 -0.22568663 1.61322333 -0.01089403 -3.22257832 0.89677626 -0.57117582 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 616-86-4 69229 144211925 A A 4-Ethoxy-2-nitroaniline CCOc1ccc(N)c(c1)[N+]([O-])=O Tox21_301608 -NCGC00255125-01 196710814 tox21-ror-cho-viability-p1 set2 4 -1.0080048 -5.90513625 -10.36659255 -7.68707689 -1.97834632 -6.4963355 3.36433318 -5.82915958 -3.88464732 -8.15653651 3.42172465 -5.37325806 1.72754246 3.19305489 -0.55389204 1.1759999999E-9 2.63E-9 5.881E-9 1.315E-8 2.9409999999E-8 6.575E-8 1.4699999999E-7 3.288E-7 7.351E-7 0.0000016439999999 0.000003676 0.0000082189999999 0.000018379999999 0.0000411 0.00009189 125401-92-5 23682789 144212752 A A Bispyribac-sodium [Na+].COc1nc(nc(OC)c1)Oc3cccc(Oc2nc(cc(OC)n2)OC)c3C([O-])=O Tox21_302435 -NCGC00255455-01 196710824 tox21-ror-cho-viability-p1 set2 4 -8.16464352 -0.81290933 -2.37102179 -2.22897756 -1.30665958 -2.14865745 -9.18446277 -3.95339086 -0.80561628 0.44842327 -0.23401517 0.38116541 -4.10111299 -0.63519801 -3.58323426 1.2279999999E-9 2.746E-9 6.1399999999E-9 1.3729999999E-8 3.07E-8 6.865E-8 1.535E-7 3.4329999999E-7 7.676E-7 0.000001716 0.0000038379999999 0.000008582 0.00001919 0.000042909999999 0.000095939999999 81-82-3 54682651 144212177 F F Coumachlor Clc1ccc(cc1)C(CC(C)=O)C2=C(O)c3ccccc3OC2=O Tox21_301860 -NCGC00257423-01 196708348 tox21-ror-cho-viability-p1 set1 4 2.70560687 2.1232737 1.63051347 1.05908908 0.08850617 -0.42541152 1.53394541 4.96024423 3.18225029 -0.82857887 3.20316767 0.98469897 0.40627147 2.35199698 9.21317218 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 125-12-2 637531 144213863 A A Isobornyl acetate CC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C Tox21_303558 -NCGC00256554-01 196707936 tox21-ror-cho-viability-p1 set1 4 9.66778836 1.0387186 -0.29109683 2.77386684 0.07309917 4.70123689 6.49675001 8.36231193 9.11693068 0.40641019 2.50961122 3.0271977 5.11727626 0.04766852 2.43623095 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 318-98-9 62882 144213222 A A Propranolol hydrochloride Cl.CC(C)NCC(O)COc2cccc1ccccc12 Tox21_302905 -NCGC00256826-01 196707943 tox21-ror-cho-viability-p1 set1 4 0.67411151 2.13674971 0.51360194 0.33167256 -2.07378096 0.40094655 2.56355526 3.13791339 5.40254512 1.90295281 -0.78733978 1.63445939 1.52066626 -0.01799272 1.88050396 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50816-18-7 39801 144212988 A Ac 9-Decenyl acetate CC(=O)OCCCCCCCCC=C Tox21_302671 -NCGC00091643-08 196708346 tox21-ror-cho-viability-p1 set1 -2.4 10.8707224818 -28.2496346439 -3 -31.2496346439 1.21 0.8467401521 0.0024847077 -2.94474908 -4.79425855 -0.01259093 -0.70294342 -5.43456551 -4.49816382 0.37680881 -5.15750316 -11.25752093 -2.29206864 -10.48498224 -7.886608 -28.95802887 -25.17787375 -27.55366029 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 149-30-4 697993 144213977 A A 2-Mercaptobenzothiazole Sc1nc2ccccc2s1 Tox21_400016 -NCGC00256746-01 196708354 tox21-ror-cho-viability-p1 set1 4 -0.0787327 -0.44360733 0.82625841 1.41861231 -12.42538832 1.1205532 1.04815068 -11.9198411 -9.07681846 -6.31001096 -0.16738508 6.14707029 -4.40030595 0.94570516 -4.99508096 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 15707-23-0 27457 144212930 A F 3-Ethyl-2-methylpyrazine Cc1nccnc1CC Tox21_302613 -NCGC00255113-01 196710200 tox21-ror-cho-viability-p1 set2 -2.2 30.6378586933 -46.6818866582 -1.822363825 -48.5042504832 4.0949729863 0.9651569879 0.0000011317 -2.9157701 -3.45381136 -0.08943771 0.55372355 -2.12841996 -4.62174575 -0.4002893 -4.44109525 2.18643108 -5.37197035 -5.11224867 2.69837733 -8.55991707 -35.13452565 -50.52526092 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 26049-70-7 4373502 144212077 D 2-Hydrazino-4-(4-nitrophenyl)thiazole NNc1nc(cs1)c2ccc(cc2)[N+]([O-])=O Tox21_301760 -NCGC00255277-01 196710209 tox21-ror-cho-viability-p1 set2 -3 68.2787407944 -97.0778576396 7.3531722836 -89.724685356 4.9549173134 0.5687524852 0.1199666006 0.79633931 -0.12217804 -0.15182864 -2.0277004 -0.48692402 -0.98594583 2.00222885 3.08709599 4.93612983 -1.97655805 3.54747272 3.26997666 58.92347039 36.53305742 -74.77057113 1.0679999999E-9 2.3869999999E-9 5.3379999999E-9 1.1939999999E-8 2.6689999999E-8 5.9679999999E-8 1.335E-7 2.9839999999E-7 6.6729999999E-7 0.0000014919999999 0.000003336 0.00000746 0.00001668 0.0000373 0.000083409999999 56-95-1 9562059 144212680 A A Chlorhexidine diacetate Clc2ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)cc2.CC(=O)O.CC(=O)O Tox21_302363 -NCGC00256115-01 196710202 tox21-ror-cho-viability-p1 set2 4 68.5896218971 -10.376598252 0 -10.376598252 4.9549173134 0.712327143 0.0339468149 -3.21766781 -2.58774354 1.22025713 0.13711782 2.78736505 -0.25141754 -0.38414122 -0.32112346 0.56930056 0.49590111 -0.10941506 0.01415796 -0.21758511 -0.49092172 -8.64716521 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57609-64-0 93312 144212018 A A Propane-1,3-diyl bis(4-aminobenzoate) Nc1ccc(cc1)C(=O)OCCCOC(=O)c2ccc(N)cc2 Tox21_301701 -NCGC00091351-03 196710208 tox21-ror-cho-viability-p1 set2 4 0.48934834 -0.3446955 -0.43875561 1.23584055 0.83670099 -3.90165128 -0.21686637 -0.94737004 1.34739265 0.3551654 -0.57860347 1.35496038 0.46587962 0.20820658 1.80210953 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00255923-01 196710605 tox21-ror-cho-viability-p1 set2 4 2.4943217 0.93384497 0.5644646 0.63181018 2.91112183 2.06222467 0.28136688 -1.42838913 -0.88028727 3.61149681 -0.91643855 2.51606646 2.21917121 -1.72967546 0.42982192 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 2756-56-1 23617864 144211661 A Ac Isobornyl propanoate CCC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C Tox21_301344 -NCGC00255983-01 196710608 tox21-ror-cho-viability-p1 set2 4 10.8707224818 -15.853936176 4 -11.853936176 0.5 0.8998250456 0.0003305588 5.15453596 3.87108727 4.00094145 3.86293678 4.04796759 0.44530592 -0.05724331 2.6576033 0.06260501 0.04277343 0.27235789 -2.12821101 -5.51451437 -8.21161348 -7.4075002 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23947-60-6 32152 144212097 A A Ethirimol CCNc1nc(C)c(CCCC)c(O)n1 Tox21_301780 -NCGC00091586-02 196710611 tox21-ror-cho-viability-p1 set2 4 -3.82073382 -3.22032506 -1.29721469 -1.34099583 -3.42674667 -4.25763871 -0.94027621 -0.75377719 -1.807764 -0.92944449 -0.80362512 0.58059487 0.12808143 4.22858519 -3.4578883 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00256011-01 196710617 tox21-ror-cho-viability-p1 set2 4 0.1933118196 8.9502022159 -8.9502022159 0 3.9899729863 0.7599583784 0.0167606314 -14.54183518 -5.13683755 -6.66466541 -13.05698479 -7.91638981 -7.13043171 -6.69153198 -0.43192993 1.38810124 1.50460109 0.40033869 -2.20035682 -0.49528083 -2.34581693 0.47831303 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-63-4 31219 144212100 A A Benzyl propanoate CCC(=O)OCc1ccccc1 Tox21_301783 -NCGC00255642-01 196710628 tox21-ror-cho-viability-p1 set2 4 6.95368535 3.15219957 4.60679815 2.83557967 4.8226557 1.57337779 0.28419045 -0.52296495 1.00247795 0.25525551 0.59092876 0.74254199 0.60225677 1.01453884 0.59767358 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 710-04-3 61204 144212645 D B Undecanoic delta-lactone O=C1CCCC(CCCCCC)O1 Tox21_302328 -NCGC00255358-01 196711029 tox21-ror-cho-viability-p1 set2 4 2.33403981 4.52358363 4.54237067 3.55169422 3.1155345 1.18114126 2.20657647 1.13141329 0.62406033 0.04347133 1.12722476 -0.06886078 3.01534179 0.48641803 3.92163415 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 42588-37-4 6434236 144212325 A F Kinoprene C\C(=C/C(=O)OCC#C)\C=C\CC(C)CCCC(C)C Tox21_302008 -NCGC00255343-01 196711044 tox21-ror-cho-viability-p1 set2 4 5.72418044 7.04196854 3.31178681 2.02291046 2.92403294 5.2380617 -1.0260014 2.21702837 -1.28916452 1.88810448 0.48498113 1.91528281 2.63351402 -0.0851895 5.18435925 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-14-1 3516 144212411 A A Guaifenesin OCC(O)COc1ccccc1OC Tox21_302094 -NCGC00260503-01 196711451 tox21-ror-cho-viability-p1 set2 4 27.3060203028 -15.597229096 1.5 -14.097229096 4.9549173134 0.8063341512 0.009906208 -0.02675752 3.50942848 2.34321485 -1.15891446 4.54705079 2.49503301 -0.17980353 -0.51330416 2.50268807 5.10201918 -0.01961331 0.68767369 0.22248504 -13.41435758 3.32354779 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.299E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.00001844 0.00004124 0.00009222 2735-04-8 17652 144210155 A A 2,4-Dimethoxyaniline Nc1ccc(cc1OC)OC Tox21_202957 -NCGC00260453-01 196724487 tox21-ror-cho-viability-p1 set3 4 0.3444617248 9.7971040599 -5.2971040599 4.5 2.2526478767 0.5681192481 0.1210052216 2.40137314 -14.83092005 -6.68680539 -7.21889251 0.24130871 -5.20745036 -5.86928278 -0.25539321 3.92501423 5.71820684 2.62973572 3.50706797 2.126636 2.3114163 11.36218711 1.182E-9 2.6429999999E-9 5.909E-9 1.3209999999E-8 2.955E-8 6.607E-8 1.4769999999E-7 3.303E-7 7.387E-7 0.0000016519999999 0.000003693 0.000008258 0.000018469999999 0.00004129 0.000092329999999 253-52-1 9207 144210105 A A Phthalazine c1cccc2cnncc12 Tox21_202907 -NCGC00259228-01 196721675 tox21-ror-cho-viability-p1 set3 4 -2.67216319 -0.11328966 4.02499138 9.76531344 -3.63055955 -3.35251295 -3.16850013 -0.70118444 -3.81307483 0.81637128 -0.87763279 -3.75889183 -3.27741895 5.87652557 3.23522029 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 23564-05-8 3032791 144208877 A A Thiophanate-methyl S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC Tox21_201679 -NCGC00259383-01 196721651 tox21-ror-cho-viability-p1 set3 4 -5.46972235 -0.3710795 0.15109644 3.91057151 -1.47921033 -3.11081806 -3.73701093 -3.67533171 -1.26609424 1.15974407 -2.49105636 -1.85796967 -2.53628117 0.67006346 -1.90186554 1.195E-9 2.671E-9 5.973E-9 1.336E-8 2.986E-8 6.678E-8 1.493E-7 3.3389999999E-7 7.466E-7 0.000001669 0.000003733 0.000008347 0.00001867 0.00004174 0.000093329999999 58-14-0 4993 144209032 A A Pyrimethamine CCc1nc(N)nc(N)c1c2ccc(Cl)cc2 Tox21_201834 -NCGC00090776-02 196721653 tox21-ror-cho-viability-p1 set3 4 42.4861476153 10.5773422519 -4.0773422519 6.5 3.1319983358 0.4333808361 0.2412903492 -5.19914214 -9.41404446 -8.18919016 -2.26432957 1.29565038 -3.03301536 -3.40114194 -1.55045458 -2.00522115 -2.70944893 -2.8568259 -9.64778521 -7.20481608 1.60013017 5.43493728 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.496E-8 1.453E-7 3.2479999999E-7 7.2629999999E-7 0.000001624 0.0000036309999999 0.0000081199999999 0.00001816 0.0000406 0.00009078 77-73-6 6492 144213978 FNS Dicyclopentadiene C=2CC3C1C=CC(C1)C3C=2 Tox21_400017 -NCGC00259871-01 196721655 tox21-ror-cho-viability-p1 set3 4 24.8571657876 12.091064764 -4.091064764 8 4.5044702849 0.9072405564 0.0002243548 -6.18802406 -2.74888339 -2.87482947 -2.37568436 -3.43313701 -4.32164321 -6.26005161 -4.02111519 -6.74255397 -4.75768105 -3.08961366 -4.4537239 -1.48366273 6.6845158 8.39577427 1.2009999999E-9 2.6849999999E-9 6.0039999999E-9 1.3429999999E-8 3.002E-8 6.7129999999E-8 1.501E-7 3.356E-7 7.505E-7 0.0000016779999999 0.0000037519999999 0.000008391 0.00001876 0.00004195 0.00009381 993-16-8 101940 144209520 A Trichloromethylstannane C[Sn](Cl)(Cl)Cl Tox21_202322 -NCGC00259555-01 196722054 tox21-ror-cho-viability-p1 set3 4 27.0285678219 10.2453234959 -3.7453234959 6.5 4.9549173134 0.4923886333 0.1859700247 -5.41489196 -2.60212692 0.87539627 6.05815182 -3.58757537 -6.58729702 -6.52397942 -5.8499837 -7.28776958 -3.96400127 -4.72729656 -3.52886731 -3.77775768 6.94864109 5.08670254 1.1699999999E-9 2.615E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.538E-8 1.462E-7 3.269E-7 7.31E-7 0.000001635 0.0000036549999999 0.000008173 0.00001827 0.00004086 0.00009137 21087-64-9 30479 144209204 A A Metribuzin O=C1C(=NN=C(SC)N1N)C(C)(C)C Tox21_202006 -NCGC00259054-01 196722066 tox21-ror-cho-viability-p1 set3 4 17.4393986943 9.2619704 -1.7619704 7.5 4.9549173134 0.7375021311 0.0237306189 -3.27113047 -3.71668576 -1.40187448 0.96238101 -2.85617069 -4.801642 -1.34261552 -2.8156654 3.78836551 -0.88155167 -3.60083279 -2.2041695 3.47235412 7.50039564 7.90621386 1.1919999999E-9 2.6649999999E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.662E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004164 0.000093099999999 6055-19-2 22420 144208701 A Fc Cyclophosphamide monohydrate O.O=P1(NCCCO1)N(CCCl)CCCl Tox21_201503 -NCGC00259358-01 196722067 tox21-ror-cho-viability-p1 set3 4 -7.12975053 -5.12517435 -2.72474167 -2.36364316 -3.1555438 -5.40060501 -4.36981987 -4.47167689 -5.15242399 0.15897539 -3.90229134 -3.82544198 -4.35198244 0.34638074 -4.02861538 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.0000036659999999 0.000008198 0.00001833 0.00004099 0.000091659999999 50-33-9 4781 144209007 B C Phenylbutazone O=C3C(CCCC)C(=O)N(c1ccccc1)N3c2ccccc2 Tox21_201809 -NCGC00247711-01 196722479 tox21-ror-cho-viability-p1 set3 1.4 0.9501642011 21.786562616 -11.786562616 10 4.4494702849 0.8480095966 0.0023904377 -9.19173572 -15.59349666 -13.72474213 -13.47631008 -12.54558664 0 -13.7630446 -16.48880218 -6.08036405 9.97940194 9.69502444 7.7932176 7.38400971 5.80087897 17.661704 1.1609999999E-9 2.5969999999E-9 5.8069999999E-9 1.299E-8 2.9039999999E-8 6.493E-8 1.4519999999E-7 3.246E-7 7.259E-7 0.000001623 0.000003629 0.000008116 0.000018149999999 0.000040579999999 0.000090739999999 57-43-2 2164 144206419 A A Amobarbital O=C1NC(=O)NC(=O)C1(CCC(C)C)CC Tox21_112866 -NCGC00094818-09 196722482 tox21-ror-cho-viability-p1 set3 4 33.4914596268 -39.717944376 3.5 -36.217944376 1.4787409999 0.3099294638 0.3572916424 -0.57146539 4.68866701 -6.39846019 16.95037217 15.81138308 -9.14657275 14.97357982 9.74647206 -14.09148433 5.41931972 1.00326328 9.81347388 -18.06972121 3.72592501 -26.55608243 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84-16-2 192197 170466031 A Hexestrol Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c2ccc(O)cc2 Tox21_110377_1 -NCGC00274056-01 196722881 tox21-ror-cho-viability-p1 set3 4 0.0133331902 -10.9649910039 9 -1.9649910039 4.9549173134 0.3699130514 0.3165264736 6.03092637 8.56333509 12.20135787 9.68621996 2.20059858 -5.13780559 7.03380093 -5.71109036 -1.27635595 -8.60905271 9.07332164 8.78538608 -13.30415917 -8.45839415 5.55915737 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 115436-72-1 9862176 170464992 F Risedronate sodium [Na+].[Na+].[O-]P(=O)(O)C(O)(Cc1cccnc1)P([O-])(=O)O Tox21_111791_1 -NCGC00262932-01 196722898 tox21-ror-cho-viability-p1 set3 -2.4 0.0530803864 -21.6554693719 18.5 -3.1554693719 2.4063783767 0.8279393276 0.0061193426 15.74383761 19.41906243 12.95594875 15.31675759 28.99019635 12.96802695 -0.12584837 1.2566501 -4.86384854 -7.62955781 -4.43053169 -4.88394894 0.47268055 2.70850664 21.24392912 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 125-13-3 31315 170466393 A A Oxyphenisatin Oc1ccc(cc1)C2(c3ccccc3NC2=O)c4ccc(O)cc4 Tox21_113927 -NCGC00254717-01 196719649 tox21-ror-cho-viability-p1 set3 4 1.54878463 0.43679764 -5.66212787 2.84271371 -3.23078444 4.23424879 1.3196943 0.58999966 -0.19579787 -3.23829154 2.86638772 -5.48363382 0.81932917 1.30472373 1.75463389 1.177E-9 2.633E-9 5.8869999999E-9 1.316E-8 2.943E-8 6.582E-8 1.472E-7 3.291E-7 7.3589999999E-7 0.000001645 0.000003679 0.000008227 0.000018399999999 0.000041139999999 0.00009198 102-79-4 7620 144211130 A A N-Butyldiethanolamine OCCN(CCCC)CCO Tox21_300813 -NCGC00258117-01 196702827 tox21-ror-cho-viability-p1 set1 4 6.10736192 0.6231079 -0.67347186 3.11818694 3.29435299 5.10819622 2.6334271 10.08523514 1.03378103 6.11699225 2.51399443 1.60532431 5.09407667 3.23670975 7.77223148 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 87-81-0 2724552 144207761 D D-Tagatose O[C@H]1[C@@H](O)[C@H](O)CO[C@@]1(O)CO Tox21_200563 -NCGC00257925-01 196702401 tox21-ror-cho-viability-p1 set1 -2.1 31.2307935678 -67.9731051434 -6.210673693 -74.1837788364 1.4641 0.9357305255 0.0000326459 -2.71082215 -3.07894253 -3.23675772 -5.92815771 -12.10662952 -0.18547689 -11.77609277 -9.9614997 -11.76862498 -9.57199398 -14.49739257 -12.16212849 -23.62739394 -53.87586159 -60.06649114 1.1989999999E-9 2.6809999999E-9 5.994E-9 1.34E-8 2.9969999999E-8 6.7019999999E-8 1.4989999999E-7 3.351E-7 7.493E-7 0.000001675 0.000003746 0.000008377 0.00001873 0.00004189 0.00009366 101-96-2 7589 144207569 I N,N'-Bis(1-methylpropyl)-1,4-benzenediamine CC(CC)Nc1ccc(NC(C)CC)cc1 Tox21_200371 -NCGC00091650-03 196702804 tox21-ror-cho-viability-p1 set1 4 38.5707788719 -11.538457296 -2 -13.538457296 0.7999999999 0.3922314431 0.280899295 0.58683516 0.39986074 -0.58389307 -0.55896069 -9.61538108 -0.24457223 -6.59946251 -0.0922244 -0.58081826 -6.70689511 -0.08105698 -2.44170458 -7.55909199 -8.89579712 -9.33847702 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00258550-01 196702823 tox21-ror-cho-viability-p1 set1 4 -4.2144512 -7.91454064 -2.27257212 -3.05580021 -14.68150054 -7.96474326 -3.58674273 -18.14515809 -1.44489709 -9.52097244 -7.38690188 -13.60617721 -17.01178627 -6.86267822 -7.2369187 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.468E-7 3.284E-7 7.3419999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.000018359999999 0.00004104 0.000091779999999 621-33-0 12120 144208195 A A 3-Ethoxyaniline CCOc1cccc(N)c1 Tox21_200997 -NCGC00016000-13 196703227 tox21-ror-cho-viability-p1 set1 -2.1 62.5631710251 -118.091311786 -4.444978873 -122.536290659 2.8472712143 0.9383439386 0.0000261351 1.26356068 4.90018174 1.41995145 -0.01980017 -5.30938729 1.20606197 -0.57692117 -5.94534803 -9.82859702 -15.14403174 -14.62558836 -11.86401543 -7.60227004 -32.45495817 -94.54960699 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008408 0.0000188 0.00004204 0.00009401 97-77-8 3117 144214033 A A Disulfiram CCN(CC)C(=S)SSC(=S)N(CC)CC Tox21_400072 -NCGC00260215-01 196703234 tox21-ror-cho-viability-p1 set1 4 -6.51266327 -5.20067906 -13.31238442 0.45525009 1.03889748 -12.22378672 -11.47396521 -0.2811353 -0.11840127 -8.07229959 -5.63617979 5.41311883 -19.33178715 0.76217505 3.75579239 1.1779999999E-9 2.634E-9 5.891E-9 1.3169999999E-8 2.945E-8 6.586E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.0000036819999999 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009204 608140-12-1 16726630 144209865 A A 1-Methyl-1-propylpiperidinium bis(trifluoromethylsulfonyl)imide CCC[N+]1(C)CCCCC1.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F Tox21_202667 -NCGC00260602-01 196703243 tox21-ror-cho-viability-p1 set1 4 26.6032120037 10.833164088 -2.833164088 8 1.271561 0.399383834 0.2750803269 -3.34556118 0.49698077 -0.36990996 1.02277237 -5.00036552 -3.06901479 -2.48794501 -7.2045616 -7.77763674 -0.47602589 -3.88224628 -0.14078038 0.17563039 -0.39367126 5.37018486 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49498 144210255 M M NTP Mix5 AR1 8-EQC Tox21_203057 -NCGC00357206-01 196703637 tox21-ror-cho-viability-p1 set1 4 -1.18083884 5.90513004 4.44910645 0.49407949 0.58217345 0.52375387 -0.81477431 -0.38767884 0.75053817 0.03757566 3.93011131 0.88054038 4.37786962 4.75054103 4.70902573 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 707-61-9 69722 251919937 A 2,3-Dihydro-4-methyl-1-phenyl-1H-phosphole 1-oxide O=P1(C=C(C)CC1)c2ccccc2 Tox21_303982 -NCGC00356944-01 196703650 tox21-ror-cho-viability-p1 set1 4 -1.95026777 -6.63164483 -1.65692973 -1.59488151 -4.37024335 -10.0956631 1.34663122 -2.22763995 -3.13656904 -3.64019712 -13.23235863 -6.93450633 1.46500933 1.04679221 1.07098327 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 498-81-7 10353 251919769 I Dihydro-alpha-terpineol CC1CCC(CC1)C(O)(C)C Tox21_303808 -NCGC00163906-02 196703652 tox21-ror-cho-viability-p1 set1 4 5.28864379 -1.59336865 5.27136943 0.16873162 1.28245257 0.04203143 0.24335242 5.12970652 -0.9592822 -0.44412909 9.8835586 -0.40681697 1.54366381 7.15387267 7.137895 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00255215-01 196700757 tox21-ror-cho-viability-p1 set1 4 54.4826732819 -14.791277636 -2 -16.791277636 0.5 0.3983166634 0.2748466924 -2.74931233 1.09320147 1.80280588 -5.76461656 -4.35757447 -4.44642726 -3.80314591 -4.86245221 -3.74692417 1.91101178 -2.43383654 -13.15939803 -5.91576742 -7.13811388 -11.07375623 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 9004-82-4 23665884 144212691 A Sodium lauryl polyoxyethylene ether sulfate [Na+].[O-]S(=O)(=O)OCCOCCCCCCCCCCCC Tox21_302374 -NCGC00160537-04 196700357 tox21-ror-cho-viability-p1 set1 4 1.56155144 1.1929681 0.50644752 -0.88178506 2.88862036 -1.51288979 0.07212518 2.45461939 3.10255394 -0.94993229 2.80320598 0.27800694 2.86231839 2.0775551 3.65043008 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66332-96-5 47898 144214046 A A Flutolanil CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F Tox21_400085 -NCGC00091163-03 196712694 tox21-ror-cho-viability-p1 set2 4 -0.88703686 -0.97426839 0.74428106 0.68099201 -1.54413573 1.70296924 0.89285977 0.11164759 -0.94886031 -1.59897023 0.33587298 2.56871116 0.06477402 -0.32058752 -0.11846648 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 25103-58-6 32793 144213979 F Fns tert-Dodecanethiol CC(C)(C(C)(C)C(C)C)C(C)(C)S Tox21_400018 -NCGC00260270-01 196711877 tox21-ror-cho-viability-p1 set2 4 0.0415348524 -10.6776394479 2.5 -8.1776394479 4.9549173134 0.4261864845 0.263432155 2.33916302 4.1871503 2.84202106 1.11951101 0.41065772 2.41719115 -1.86443421 -13.16045604 -13.69480933 -0.64118587 -20.56469954 3.02814055 -11.44434455 -0.71816428 12.97166503 3.276E-10 7.324E-10 1.638E-9 3.6619999999E-9 8.189E-9 1.831E-8 4.0939999999E-8 9.155E-8 2.0469999999E-7 4.578E-7 0.000001024 0.000002289 0.000005118 0.000011439999999 0.000025589999999 112-82-3 8213 144209920 F Fns 1-Bromohexadecane BrCCCCCCCCCCCCCCCC Tox21_202722 -NCGC00260467-01 196712289 tox21-ror-cho-viability-p1 set2 4 -0.32920931 1.35593444 -1.51520283 0.07426945 -1.88130979 0.7187516 -0.35511589 3.39012852 -0.45881534 3.48402011 3.8901231 1.78495346 3.88152567 5.72564421 3.62352529 1.1739999999E-9 2.625E-9 5.87E-9 1.3129999999E-8 2.9349999999E-8 6.5629999999E-8 1.468E-7 3.282E-7 7.338E-7 0.000001641 0.000003669 0.000008204 0.00001834 0.00004102 0.00009172 50438-75-0 93252 144210119 A A p-N,N-Dimethylaminophenethanol CN(C)c1ccc(CCO)cc1 Tox21_202921 -NCGC00024016-03 196712685 tox21-ror-cho-viability-p1 set2 4 -0.57993014 1.67472268 0.95399728 4.46131248 0.73753143 3.57407465 2.35344039 6.5721083 0.93789527 0.34915944 -0.47735551 0.25741493 0.2346489 3.88637965 3.56567816 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57524-89-7 5282494 170464775 A Hydrocortisone valerate OCC(=O)[C@@]4(OC(=O)CCCC)CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_110853_1 -NCGC00164612-02 196713104 tox21-ror-cho-viability-p1 set2 4 0.0018833632 -8.9059431 8 -0.9059431 4.9549173134 0.9070526401 0.0002307936 7.42105416 7.61911038 -0.93432161 0.54286487 -2.40978889 -0.67338648 -1.31021802 -0.72988465 -0.71400252 -2.42161925 0.25965294 0.1911079 -1.14778112 -1.74752272 -1.64990318 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 479-92-5 3778 170465821 A Propyphenazone CC(C)C=2C(=O)N(c1ccccc1)N(C)C=2C Tox21_112233_1 -NCGC00168784-03 196713521 tox21-ror-cho-viability-p1 set2 4 13.3331902297 -17.486785256 3.5 -13.986785256 2.3331733767 0.7878282806 0.0102053486 2.55663344 1.4808378 0.90752776 2.66271934 4.17625218 2.92235005 8.76187021 6.59609035 7.07540393 0.86807002 0.98884687 -0.00743814 1.1496008 -12.90565438 -11.36517484 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122111-03-9 60749 170465129 A Gemcitabine Cl.NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)C2(F)F Tox21_112644_1 -NCGC00025297-04 196713535 tox21-ror-cho-viability-p1 set2 4 3.77299177 -2.24027453 -1.75378862 -2.21868831 -1.31597166 -0.18013245 -0.9274099 -0.84498327 0.50148838 0.9211606 2.0410615 0.45739786 1.64693605 2.23982495 5.79613826 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 56974-61-9 6604561 170465830 A Gabexate mesilate O=C(Oc1ccc(cc1)C(=O)OCC)CCCCCNC(=N)N.CS(=O)(=O)O Tox21_110789_1 -NCGC00018099-09 196713537 tox21-ror-cho-viability-p1 set2 4 0.3084326 -1.03915778 -3.17800551 -5.37474133 0.38981984 1.1735647 0.764227 0.79395267 -0.88455606 -0.35680299 -3.30777233 1.02699208 0.68323676 0.91952264 3.75249817 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 479-18-5 3182 170465316 A Dyphylline OCC(O)Cn2cnc1c2C(=O)N(C)C(=O)N1C Tox21_110444_1 -NCGC00254356-01 196714396 tox21-ror-cho-viability-p1 set2 -2.2 64.9095650958 -73.2228177939 -4.030050366 -77.2528681599 3.5722481694 0.9179747965 0.0001175611 0.30705301 0.38390543 1.39681566 -5.10538035 0.88030365 -1.84226341 -8.09949734 -9.93365245 0.00538908 -5.18179174 -10.07380975 -9.66242696 -8.70835903 -13.94916735 -58.903688 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 79-94-7 6618 144210878 A A 3,3',5,5'-Tetrabromobisphenol A Brc1cc(cc(Br)c1O)C(C)(C)c2cc(Br)c(O)c(Br)c2 Tox21_300561 -NCGC00254848-01 196713973 tox21-ror-cho-viability-p1 set2 4 43.0571658618 -14.212214484 -2 -16.212214484 0.8999999999 0.4879769167 0.1903278223 -5.11950184 0.80401157 -3.3499647 -3.96324519 3.42001256 -2.21909738 -0.35597986 -7.31673902 -0.48886276 -7.71930037 -1.84782899 -3.10264811 -3.86326403 -11.84351207 -11.37111777 1.175E-9 2.6269999999E-9 5.875E-9 1.314E-8 2.938E-8 6.568E-8 1.469E-7 3.284E-7 7.344E-7 0.000001642 0.000003672 0.000008211 0.000018359999999 0.000041049999999 0.0000918 13181-17-4 5360414 144211263 A F Bromofenoxim Brc1cc(cc(Br)c1O)\C=N\Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O Tox21_300946 -NCGC00254955-01 196714378 tox21-ror-cho-viability-p1 set2 4 4.18858169 3.78335549 -0.57137366 1.3499324 -1.40560748 0.55182695 2.23237219 3.06429302 0.06330712 0.77560648 4.14026623 3.11217398 1.0478017 2.10330832 0.1347732 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10595-06-9 66357 144211370 Z Z Ethylene glycol phenyl ether methacrylate C=C(C)C(=O)OCCOc1ccccc1 Tox21_301053 -NCGC00254637-01 196714390 tox21-ror-cho-viability-p1 set2 4 -2.93801579 -3.1204798 0.25968533 -4.97424521 -3.14098519 -2.11730285 -2.03596491 -10.07983651 -9.93382437 -10.36844108 -4.68183741 -4.40304408 -7.73548023 -2.33426076 -0.77823137 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21087-64-9 30479 144211048 A A Metribuzin O=C1C(=NN=C(SC)N1N)C(C)(C)C Tox21_300731 -NCGC00159533-02 196725741 tox21-ror-cho-viability-p1 set3 2.4 33.4914596268 32.731460256 -0.731460256 32 4.9549173134 0.9762388407 1.291E-7 0.42247752 -2.27621688 0.25552483 -1.72886119 2.06790329 -0.96700886 -1.88722991 -0.06247909 -0.5864718 -0.3885658 0.07333511 -0.55745873 -1.43875446 2.08823805 26.80739763 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98206-09-8 3025067 170466607 A Eltoprazine hydrochloride Cl.c1cc(c2OCCOc2c1)N3CCNCC3 Tox21_111742_1 -NCGC00015340-14 196725331 tox21-ror-cho-viability-p1 set3 4 5.47189991 3.67756182 1.47713678 1.95874583 4.82727372 -0.90648945 -1.70440098 5.31495479 5.06098773 -0.47662746 2.01704382 2.62819237 3.31444532 1.86405617 -2.39412154 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 58-28-6 65327 170465424 A Desipramine hydrochloride Cl.CNCCCN2c3ccccc3CCc1ccccc12 Tox21_110129_1 -NCGC00015851-10 196725336 tox21-ror-cho-viability-p1 set3 4 6.00950754 2.62928351 -1.22116947 5.52141326 -0.96385386 6.93809613 1.83414678 5.20835879 -2.08178279 2.74342611 7.40424621 6.08776754 1.22751235 6.1123555 20.10521409 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1225-55-4 6603149 170465077 A Protriptyline hydrochloride Cl.CNCCCC2c3ccccc3C=Cc1ccccc12 Tox21_110244_1 -NCGC00094856-05 196725743 tox21-ror-cho-viability-p1 set3 2.2 37.5780357627 63.5748696887 3.3937482589 66.9686179476 1.21 0.7718897565 0.0135856084 -0.66125049 3.02842047 -0.00979448 -1.16658838 1.39923619 1.66483501 4.28760558 2.51596241 15.98541295 6.85954271 7.88050224 8.35775524 13.57485349 11.3657637 50.89686847 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 73-24-5 190 170465950 A Adenine Nc1ncnc2ncnc12 Tox21_111348_1 -NCGC00091351-03 196726163 tox21-ror-cho-viability-p1 set3 4 28.4484622985 -15.2373173039 8.5 -6.7373173039 3.2974983358 0.4261021766 0.2468065441 1.63848696 -0.98472252 7.49183017 7.99483404 10.18723559 5.83917481 8.26837726 19.63538348 2.52638382 16.70488626 10.61054715 10.82967422 2.73060158 -0.93884829 -7.69776442 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00182705-02 196726170 tox21-ror-cho-viability-p1 set3 4 -0.18260234 1.79847375 -1.84677212 -0.72729251 1.14791501 -1.41741389 0.07677367 -1.59036615 3.41077824 1.14076491 -1.68573565 1.72572925 -3.04425638 0.97866968 -3.11450644 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3964-81-6 19861 170464865 A Azatadine CN1CC\C(CC1)=C2\c4ncccc4CCc3ccccc23 Tox21_112982_1 -NCGC00018221-08 196726577 tox21-ror-cho-viability-p1 set3 4 0.2195574 -0.89126363 4.00011929 -0.72047704 2.72767698 -0.33422061 -0.25361114 -5.4238571 -4.34577621 -23.82512041 -5.33146318 -0.22119122 2.36777061 2.46602017 0.47691395 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.331E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 132-60-5 8593 144213983 A A Cinchophen O=C(O)c1cc(nc2ccccc12)c3ccccc3 Tox21_400022 -NCGC00357201-01 196724569 tox21-ror-cho-viability-p1 set3 -1.1 11.8832183006 -101.2918139755 0 -101.2918139755 2.4729283767 0.9836848902 1.46E-8 -6.74585518 -4.58434028 -2.5700034 -0.80047511 2.62345886 3.98097152 7.94512102 5.13987318 -1.63361623 -2.23945067 -3.86432957 -10.21511162 -31.68211849 -79.22853271 -100.48791069 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 569-64-2 11294 251919686 F Malachite green [Cl-].C/[N+](C)=C1\C=C/C(C=C1)=C(/c2ccccc2)c3ccc(cc3)N(C)C Tox21_303977 -NCGC00260049-01 196724565 tox21-ror-cho-viability-p1 set3 4 61.6282348375 -25.5261333439 1.5 -24.0261333439 2.3031167061 0.5533074778 0.1328139252 -10.52227575 0.98936373 2.14247122 4.37455813 1.4907582 7.59088499 6.5106057 7.16670454 -1.1103199 -1.71010008 4.48202512 -0.69600292 -1.5955815 -4.62410619 -17.10511112 1.188E-9 2.6549999999E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 15663-27-1 2767 144209698 Cisplatin Cl[Pt](Cl)(N)N Tox21_202500 -NCGC00357051-01 196724574 tox21-ror-cho-viability-p1 set3 4 0.0015355304 14.095706936 -13.095706936 1 4.9549173134 0.3792426279 0.2927999495 -10.07975578 0.97624183 3.93143148 7.00134325 5.04604377 -1.21894266 -0.22363659 -4.28833959 -5.21944358 3.94735037 -2.74802411 -1.94775493 1.85702474 1.243025 5.49806343 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 83-56-7 6749 251919955 I 1,5-Dihydroxynaphthalene Oc2cccc1c2cccc1O Tox21_303746 -NCGC00260210-01 196724580 tox21-ror-cho-viability-p1 set3 4 0.0019174018 13.093455468 -12.093455468 1 1.98874246 0.3119807176 0.3572916489 -8.41121289 -3.36308554 -0.39747557 0.4101677 0.08697622 3.79164504 4.84523711 5.78950455 -6.26994277 4.1414097 -1.87233964 -4.267196 -1.02460288 -2.61234838 7.35736161 1.172E-9 2.621E-9 5.862E-9 1.311E-8 2.931E-8 6.554E-8 1.465E-7 3.277E-7 7.327E-7 0.0000016379999999 0.000003664 0.000008192 0.00001832 0.00004096 0.00009159 623580-02-9 12184311 144209860 FNS 1-Butyl-1-methylpiperidinium bis(trifluoromethylsulfonyl)imide FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C[N+]1(CCCC)CCCCC1 Tox21_202662 -NCGC00259461-01 196721289 tox21-ror-cho-viability-p1 set3 4 27.4727179077 12.8776135439 -10.8776135439 2 4.9549173134 0.6875074454 0.0441380772 -12.62408836 -12.02612845 -9.35492243 -4.38900713 -9.37473421 -6.45582078 -12.63391949 -13.13339525 -14.48134462 -10.11768795 -12.18822242 -13.01436541 -12.4300817 2.68433158 0.27394737 1.1859999999E-9 2.653E-9 5.932E-9 1.326E-8 2.966E-8 6.632E-8 1.4829999999E-7 3.316E-7 7.415E-7 0.0000016579999999 0.000003707 0.0000082899999999 0.00001854 0.00004145 0.00009269 627-93-0 12329 144209110 A A Dimethyl adipate O=C(CCCCC(=O)OC)OC Tox21_201912 -NCGC00259186-01 196722098 tox21-ror-cho-viability-p1 set3 4 47.030980663 13.1939842121 0.8060157879 14 1.0999999999 0.6656245291 0.0560566877 0.35898743 3.24022599 0.6138374 -0.93487109 2.70432165 2.24836376 -0.55091269 0.44903264 -1.41165351 5.13905251 2.56283074 0.39610416 1.20849348 7.86272109 11.30183099 1.149E-9 2.568E-9 5.743E-9 1.284E-8 2.8709999999E-8 6.421E-8 1.436E-7 3.21E-7 7.1789999999E-7 0.0000016049999999 0.000003589 0.0000080259999999 0.00001795 0.00004013 0.00008973 16219-75-3 27756 144208835 5-Ethylidene-2-norbornene CC=C2CC1C=CC2C1 Tox21_201637 -NCGC00259373-01 196721688 tox21-ror-cho-viability-p1 set3 4 0.4895304699 5.199559296 -5.199559296 0 2.3531167061 0.5588669934 0.1299714302 -2.52178041 -5.12957275 -1.59290987 -7.5743064 -7.73609696 -9.33296608 -3.11236447 -4.11414264 -1.77319892 1.02114985 -2.05959587 -0.89563976 0.56531421 -1.96765074 2.65834423 1.188E-9 2.657E-9 5.941E-9 1.3289999999E-8 2.971E-8 6.6429999999E-8 1.4849999999E-7 3.321E-7 7.427E-7 0.0000016609999999 0.000003713 0.000008303 0.00001857 0.00004152 0.000092829999999 15299-99-7 27189 144209022 A A Napropamide CCN(CC)C(=O)C(C)Oc2cccc1ccccc12 Tox21_201824 -NCGC00258970-01 196721699 tox21-ror-cho-viability-p1 set3 4 30.7313538754 8.7769481879 -3.7769481879 5 4.9549173134 0.4732211018 0.2041945405 -5.17318824 -5.83376476 -2.3162416 5.90728718 -2.39027202 -5.19959237 -4.55543134 -3.35621018 -4.79408953 -4.36732342 -6.06412349 -3.52256401 -3.95341348 3.52578435 4.8288136 1.183E-9 2.6459999999E-9 5.917E-9 1.323E-8 2.9579999999E-8 6.615E-8 1.479E-7 3.3079999999E-7 7.396E-7 0.0000016539999999 0.0000036979999999 0.000008269 0.000018489999999 0.00004135 0.00009245 1120-71-4 14264 144208617 D 1,3-Propane sultone O=S1(=O)CCCO1 Tox21_201419 -NCGC00259766-01 196722101 tox21-ror-cho-viability-p1 set3 4 27.8901987353 15.275241776 -12.275241776 3 4.9549173134 0.5064973588 0.1725718808 -11.81665263 -9.00535106 -11.69572773 -7.64580429 -11.38911608 -19.81270148 -15.32114077 -18.52864044 -9.68745443 1.01992404 -17.00956109 -14.72004235 -11.80280273 2.35055616 2.50657471 1.2009999999E-9 2.686E-9 6.005E-9 1.3429999999E-8 3.003E-8 6.714E-8 1.501E-7 3.3569999999E-7 7.506E-7 0.0000016779999999 0.000003753 0.0000083919999999 0.000018769999999 0.00004196 0.000093829999999 79-24-3 6587 144209415 AC Fns Nitroethane [O-][N+](=O)CC Tox21_202217 -NCGC00091632-02 196722487 tox21-ror-cho-viability-p1 set3 4 -0.29310845 -3.45675614 -3.27433686 0.21886747 -2.68335501 0.33296579 -1.69689349 -1.22215238 -4.80110556 16.75162387 -12.44883717 -9.84861453 -3.72956885 -2.08170529 -2.57774742 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6285-57-0 22704 144214005 A A 2-Amino-6-nitrobenzothiazole [O-][N+](=O)c1ccc2nc(N)sc2c1 Tox21_400044 -NCGC00093949-05 196722500 tox21-ror-cho-viability-p1 set3 4 0.2371013766 4.532235868 -0.032235868 4.5 4.9549173134 0.5227257989 0.1609962244 3.35392976 -0.27338519 0.4380281 -0.42023443 -0.58281017 -2.94352989 0 0 4.60374368 4.97719471 5.42746618 1.85844546 1.54222457 2.30339975 8.89998904 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68-96-2 6238 170466429 F 17alpha-Hydroxyprogesterone CC(=O)[C@@]3(O)CC[C@H]2[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_111233_1 -NCGC00166153-02 196722503 tox21-ror-cho-viability-p1 set3 4 33.4914596268 9.6254712639 -2.1254712639 7.5 4.9549173134 0.3978328531 0.2767446566 -3.03529133 -1.48483816 -2.0986897 -1.96502206 -3.14040498 -0.58700087 -0.21379711 0.58839978 1.9330762 -3.71080738 -1.08753837 -2.08363113 -9.68789272 -1.42195908 6.05896823 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 38083-17-9 37907 170465557 A Climbazole CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2ccnc2 Tox21_112343_1 -NCGC00025262-02 196722907 tox21-ror-cho-viability-p1 set3 4 2.01527054 -0.04835875 3.13998844 -5.23309198 -14.11020143 -1.3057891 0 0 1.40400177 -1.95465459 4.11204462 -1.14739452 -5.10146137 -2.03794544 7.41188726 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 81098-60-4 2769 170465200 A Cisapride Clc1cc(c(OC)cc1N)C(=O)NC3CCN(CCCOc2ccc(F)cc2)CC3OC Tox21_110699_1 -NCGC00253703-01 196722909 tox21-ror-cho-viability-p1 set3 4 0.26603212 -4.454709936 -1 -5.454709936 2.4063783767 0.4643780757 0.230687567 -1.92294213 -2.76839546 -0.54435258 0.45984045 -0.65153164 -1.3365461 -0.7161952 -1.77323711 -4.32686922 -4.689117 -9.96225828 -8.6990819 0.42509437 -5.02852389 2.01490609 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5081-87-8 78766 170466704 B C 3-(2-Chloroethyl)quinazoline-2,4(1H,3H)-dione O=C1c2ccccc2NC(=O)N1CCCl Tox21_113823 -NCGC00090760-08 196723317 tox21-ror-cho-viability-p1 set3 4 0.8582260967 16.879113312 -7.879113312 9 2.7202212143 0.5154983586 0.1807914834 1.18865289 -15.42860345 -12.76947025 4.41108311 -22.81592776 0 -13.32850402 0 -5.08502787 12.36325494 10.83100342 5.67055941 6.29927648 9.01579868 -23.49546741 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00159412-04 196723318 tox21-ror-cho-viability-p1 set3 2.4 33.4914596268 24.495832204 1.004167796 25.5 4.9549173134 0.7953604993 0.0087939008 0.71377278 -1.89394699 -1.02641608 -0.56036802 2.69276316 4.45106486 -0.01747957 0.11642283 1.17529473 2.25665382 8.0496857 -2.07986017 -1.80091551 3.14429629 21.40649447 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77-86-1 6503 170464686 A Tromethamine OCC(N)(CO)CO Tox21_111645_1 -NCGC00258469-01 196702021 tox21-ror-cho-viability-p1 set1 4 0.19610905 0.21518429 1.42634456 2.62191381 -0.12975731 -2.30166536 -1.53076191 1.54641408 -1.99779023 4.08185541 0.42182802 2.32700783 0.41767685 -5.31937051 -4.54990317 1.211E-9 2.709E-9 6.0569999999E-9 1.3539999999E-8 3.028E-8 6.772E-8 1.514E-7 3.386E-7 7.5709999999E-7 0.000001693 0.0000037849999999 0.000008464 0.00001893 0.00004232 0.00009464 88-99-3 1017 144208113 A A Phthalic acid OC(=O)c1ccccc1C(=O)O Tox21_200915 -NCGC00258730-01 196702012 tox21-ror-cho-viability-p1 set1 4 3.55395603 0.29712307 3.83265555 3.09896369 0.52141763 3.88040842 12.60571414 4.39989413 3.86777705 7.56022377 1.16945787 2.64476842 8.33217323 6.76582176 3.45087071 1.149E-9 2.569E-9 5.7449999999E-9 1.285E-8 2.872E-8 6.4229999999E-8 1.436E-7 3.211E-7 7.181E-7 0.000001606 0.0000035899999999 0.000008028 0.00001795 0.00004014 0.00008976 594-72-9 11674 144208376 AC Fns 1,1-Dichloro-1-nitroethane CC(Cl)(Cl)[N+]([O-])=O Tox21_201178 -NCGC00258125-01 196702014 tox21-ror-cho-viability-p1 set1 -2.2 48.854168593 -65.4721289321 0.5654475629 -64.9066813692 1.34431 0.9681230911 6.852E-7 0.11170892 5.17379606 0.6621942 4.05176036 0.58641961 -0.72781737 -0.13061601 0.26566367 0.05231791 -0.97439576 -0.77673457 -9.22144833 -13.54839574 -24.07020717 -49.17172831 1.1859999999E-9 2.6519999999E-9 5.929E-9 1.326E-8 2.964E-8 6.629E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.0000037059999999 0.000008286 0.00001853 0.000041429999999 0.00009264 75-95-6 60967 144207769 A Pentabromoethane BrC(Br)C(Br)(Br)Br Tox21_200571 -NCGC00257859-01 196702019 tox21-ror-cho-viability-p1 set1 4 -6.47042021 -1.12397048 1.06167894 -2.263502 -1.36205827 -3.1502928 5.60082305 -0.25965826 -2.0123442 -0.16535654 -0.62446918 -2.31512116 -2.09043967 -4.37001225 -3.01950682 1.162E-9 2.598E-9 5.8099999999E-9 1.299E-8 2.905E-8 6.495E-8 1.4519999999E-7 3.2479999999E-7 7.2619999999E-7 0.000001624 0.0000036309999999 0.000008119 0.000018149999999 0.0000406 0.000090769999999 2243-76-7 5918804 144207503 A A Alizarin Yellow R OC(=O)c1cc(ccc1O)/N=N/c2ccc(cc2)[N+]([O-])=O Tox21_200305 -NCGC00090780-04 196702426 tox21-ror-cho-viability-p1 set1 4 4.11891105 2.79318722 -1.29969376 3.44521719 0.04906193 0.7907054 4.75390528 -1.03268781 0.70931452 -0.86115048 2.33978708 2.90830531 2.64061113 0.20549212 2.76534123 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00257973-01 196702433 tox21-ror-cho-viability-p1 set1 -1.1 27.5561300424 -76.9816244343 -3.3701618609 -80.3517862952 2.4063783767 0.9637147657 0.0000014198 -2.14591503 1.98700167 -14.22885116 -2.27070084 -2.67515882 -2.94642442 -2.61708452 -3.17153983 1.85529608 1.245717 -10.05961518 -11.84124063 -20.28291269 -60.69616311 -76.71461694 1.189E-9 2.66E-9 5.9469999999E-9 1.3299999999E-8 2.973E-8 6.649E-8 1.487E-7 3.3239999999E-7 7.4339999999E-7 0.000001662 0.0000037169999999 0.0000083109999999 0.000018579999999 0.00004156 0.00009292 122-19-0 31204 144207617 A A N,N-Dimethyl-N-benzyl-N-octadecylammonium chloride [Cl-].C[N+](C)(Cc1ccccc1)CCCCCCCCCCCCCCCCCC Tox21_200419 -NCGC00258745-01 196702830 tox21-ror-cho-viability-p1 set1 4 0.69957325 0.57184091 1.07520242 -0.1504071 0.01403606 3.08094605 1.49730527 -3.09688081 -0.28302281 0.60754691 1.25420004 -0.75786765 10.57772707 2.64115868 0.73037767 1.2009999999E-9 2.686E-9 6.005E-9 1.3429999999E-8 3.003E-8 6.714E-8 1.501E-7 3.3569999999E-7 7.506E-7 0.0000016779999999 0.000003753 0.0000083919999999 0.000018769999999 0.00004196 0.000093829999999 1125-21-9 62374 144208391 A Ac 2,6,6-Trimethyl-2-cyclohexene-1,4-dione O=C1C=C(C)C(=O)C(C)(C)C1 Tox21_201193 -NCGC00258178-01 196702852 tox21-ror-cho-viability-p1 set1 -2.4 39.5140717765 -30.6884235399 -2.5 -33.1884235399 0.8999999999 0.7677313903 0.0146409146 1.7749641 -2.39485321 -6.26508561 -0.80328062 -4.81236241 -4.89547424 -7.02462603 0.24412767 -0.36318064 1.51838619 -13.32030485 -9.5004653 -13.07429999 -14.9048221 -25.99035295 1.204E-9 2.692E-9 6.02E-9 1.346E-8 3.01E-8 6.7309999999E-8 1.5049999999E-7 3.366E-7 7.526E-7 0.000001683 0.000003763 0.000008414 0.000018809999999 0.000042069999999 0.000094069999999 933-78-8 13619 144207822 A A 2,3,5-Trichlorophenol Oc1cc(Cl)cc(Cl)c1Cl Tox21_200624 -NCGC00258154-01 196702463 tox21-ror-cho-viability-p1 set1 -2.4 88.1965523983 -33.069741896 -3.83462894 -36.904370836 0.9999999999 0.7213329894 0.0293187162 -4.54930557 -2.31561264 -3.64370765 -2.80995724 -5.15199216 -3.56716365 -3.47523552 -8.0049912 -0.27885745 -4.52927287 -9.16621937 -9.83748664 -5.58039151 -8.43672771 -27.42030903 1.2009999999E-9 2.686E-9 6.005E-9 1.3429999999E-8 3.003E-8 6.714E-8 1.501E-7 3.3569999999E-7 7.507E-7 0.000001679 0.000003753 0.000008393 0.000018769999999 0.00004196 0.000093829999999 61546-01-8 2734231 144207798 A A 1-Hexadecyl-3-methylimidazolium chloride [Cl-].C[n+]1ccn(CCCCCCCCCCCCCCCC)c1 Tox21_200600 -NCGC00090686-07 196702035 tox21-ror-cho-viability-p1 set1 4 4.8557733675 -17.4185008319 -5.044265912 -22.4627667439 0.3 0.3346312203 0.3509327909 -9.12212751 -7.17733529 -8.95841356 -6.07733464 -12.92236097 -5.77780372 -16.19970833 -10.63687478 -2.53688826 -7.61698101 -17.05230562 -15.13694335 -16.98382754 -16.59968642 -10.31121018 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00257687-01 196702040 tox21-ror-cho-viability-p1 set1 4 1.92392226 2.7724086 0.96987583 -0.88989333 1.8674958 4.71009111 3.01836194 -9.5652442 2.8774093 3.76367551 -3.24166667 -9.53659135 -2.49886278 2.89858409 0.13230196 1.194E-9 2.67E-9 5.9709999999E-9 1.335E-8 2.986E-8 6.676E-8 1.493E-7 3.338E-7 7.464E-7 0.000001669 0.000003732 0.000008345 0.00001866 0.00004172 0.000093299999999 628-36-4 12342 144207331 1,2-Diformylhydrazine O=CNNC=O Tox21_200133 -NCGC00258326-01 196702449 tox21-ror-cho-viability-p1 set1 -1.1 11.0478410084 -91.9405108187 2.3960064059 -89.5445044128 1.8851180601 0.9412253784 0.0115098817 1.85284887 0.07732724 -0.21393928 0.69630597 0.53842784 0.87350563 3.4304629 0.88169063 1.82981422 0.298671 0.66792546 -17.65318108 -82.60947304 -38.01298857 -80.4081624 1.196E-9 2.674E-9 5.98E-9 1.337E-8 2.9899999999E-8 6.686E-8 1.4949999999E-7 3.3429999999E-7 7.475E-7 0.000001671 0.000003737 0.000008357 0.00001869 0.000041779999999 0.00009343 5153-67-3 5284459 144207970 A B (E)-beta-Nitrostyrene [O-][N+](=O)/C=C/c1ccccc1 Tox21_200772 -NCGC00257562-01 196716455 tox21-ror-cho-viability-p1 set2 4 0.14685735 -2.55937703 0.6730981 -1.84633368 -2.21853091 -0.29327168 -4.1041944 -2.33241255 -3.16041813 -3.06089447 -0.36391998 -2.06448628 0.9839471 0.08805738 1.920749 1.189E-9 2.6589999999E-9 5.9469999999E-9 1.3299999999E-8 2.973E-8 6.649E-8 1.487E-7 3.3239999999E-7 7.4329999999E-7 0.000001662 0.0000037169999999 0.0000083109999999 0.000018579999999 0.000041549999999 0.00009292 930-68-7 13594 144207206 A Ac 2-Cyclohexen-1-one O=C1C=CCCC1 Tox21_200008 -NCGC00168342-02 196716039 tox21-ror-cho-viability-p1 set2 4 -5.36779313 -2.11822289 -3.65279109 -1.23952777 0.23610518 -2.04881613 -3.68101377 -3.71720299 -0.18960985 -3.12899202 -2.40781293 -3.64651564 -2.3832094 -3.8627565 -3.69547027 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00258003-01 196716057 tox21-ror-cho-viability-p1 set2 4 3.25211129 3.04168413 0.71983581 0.61980478 1.07879703 2.31772281 0.05420137 -0.30499965 0.34575163 -1.00390497 -3.40522287 -40.73575134 0.06316953 3.62946198 0.91805989 1.1389999999E-9 2.5469999999E-9 5.6959999999E-9 1.2739999999E-8 2.8479999999E-8 6.368E-8 1.424E-7 3.184E-7 7.1199999999E-7 0.000001592 0.00000356 0.00000796 0.0000178 0.0000398 0.000089 617-94-7 12053 144207647 A A 2-Phenylpropan-2-ol CC(O)(C)c1ccccc1 Tox21_200449 -NCGC00257967-01 196716061 tox21-ror-cho-viability-p1 set2 4 4.09658982 1.6438925 0.11816885 0.95048881 0.57761964 4.4289902 0.51464262 -4.64264491 -0.19736301 1.08175695 -4.31718941 1.21859253 1.25448214 1.03185724 3.48783259 1.2069999999E-9 2.699E-9 6.0359999999E-9 1.3499999999E-8 3.0179999999E-8 6.7489999999E-8 1.509E-7 3.3739999999E-7 7.5449999999E-7 0.000001687 0.000003773 0.000008436 0.00001886 0.00004218 0.00009431 111-90-0 8146 144207611 A A 2-(2-Ethoxyethoxy)ethanol OCCOCCOCC Tox21_200413 -NCGC00090686-07 196716459 tox21-ror-cho-viability-p1 set2 4 -0.37971079 0.52897385 -2.42125835 0.32079855 -1.47753555 -0.24750833 -1.87218768 0.0307882 -0.61980456 0.07010549 -1.6128861 -0.15891818 0.26321189 -2.19588553 7.35578435 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00257607-01 196716465 tox21-ror-cho-viability-p1 set2 4 0.96829694 -2.70540212 -3.9239618 -2.57318125 -3.82890941 -0.63395184 -0.57029429 -1.71792208 -1.58310805 1.60821727 2.019985 2.01974931 2.97779235 2.67495046 -4.33813028 1.16E-9 2.5929999999E-9 5.799E-9 1.297E-8 2.9E-8 6.4839999999E-8 1.45E-7 3.2419999999E-7 7.2489999999E-7 0.000001621 0.000003625 0.000008105 0.00001812 0.00004052 0.00009061 17376-04-4 28503 144207251 C 2-Iodoethylbenzene ICCc1ccccc1 Tox21_200053 -NCGC00257624-01 196716471 tox21-ror-cho-viability-p1 set2 4 1.32191263 0.74091132 -3.99888975 1.31506926 -2.33062119 -0.76865663 -0.61607969 0.60221618 -2.46686505 -4.0524527 -3.12951378 -2.17475979 -1.17489749 -1.9733554 0.19074701 1.191E-9 2.663E-9 5.954E-9 1.331E-8 2.977E-8 6.657E-8 1.489E-7 3.3289999999E-7 7.4429999999E-7 0.0000016639999999 0.000003721 0.0000083209999999 0.00001861 0.000041609999999 0.00009304 1817-73-8 15752 144207268 A A 2-Bromo-4,6-dinitroaniline Nc1c(cc(cc1Br)[N+]([O-])=O)[N+]([O-])=O Tox21_200070 -NCGC00258493-01 196716473 tox21-ror-cho-viability-p1 set2 4 61.5659893405 -23.553623736 -1 -24.553623736 3.1924983358 0.8417559136 0.0028954163 -0.84173503 -7.3846997 -0.95996264 -2.89273067 -2.01815593 0.23513152 -1.95357776 0.06502955 0.33176093 0.35099411 2.06867854 -0.93349619 -0.88728576 -6.40238837 -19.62801978 1.187E-9 2.654E-9 5.9329999999E-9 1.327E-8 2.9669999999E-8 6.634E-8 1.4829999999E-7 3.317E-7 7.417E-7 0.0000016579999999 0.000003708 0.000008292 0.00001854 0.00004146 0.000092709999999 13014-18-1 25607 144208137 A Ac 2,4-Dichloro-1-(trichloromethyl)benzene ClC(Cl)(Cl)c1ccc(Cl)cc1Cl Tox21_200939 -NCGC00258783-01 196716479 tox21-ror-cho-viability-p1 set2 4 68.6593799697 -11.3528566839 -0.5 -11.8528566839 4.9549173134 0.7970672486 0.0087874686 -0.96028861 -1.52170167 -3.60676929 1.62717043 -0.84346902 -0.05286504 -0.82546458 -1.30821138 0.19045807 0.52776952 -1.11469889 -1.53917835 0.10039054 -1.20609102 -9.87738057 1.181E-9 2.64E-9 5.903E-9 1.3199999999E-8 2.952E-8 6.6E-8 1.476E-7 3.3E-7 7.379E-7 0.0000016499999999 0.00000369 0.0000082499999999 0.000018449999999 0.00004125 0.000092239999999 3131-60-0 65114 144208429 A A 6-Azacytidine O=C2N=C(N)C=NN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Tox21_201231 -NCGC00260361-01 196711499 tox21-ror-cho-viability-p1 set2 4 69.4274967035 -14.741422812 2.5 -12.241422812 3.6772481694 0.6005595674 0.097603662 -0.39177541 1.47363963 -0.35981364 3.22012339 3.91854255 4.76877852 3.27923409 6.523673 6.94928935 -1.08225894 1.44021031 1.75755037 1.47900435 0.68009828 -8.53451901 1.1919999999E-9 2.6649999999E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.662E-8 1.49E-7 3.331E-7 7.4479999999E-7 0.000001665 0.000003724 0.000008327 0.00001862 0.00004164 0.000093099999999 2417-72-3 256687 144210013 F A Benzoic acid,4-(bromomethyl)-,methylester BrCc1ccc(cc1)C(=O)OC Tox21_202815 -NCGC00256087-01 196711097 tox21-ror-cho-viability-p1 set2 4 5.4482673282 4.6092651759 -5.1092651759 -0.5 4.9549173134 0.3258949197 0.345477879 -3.08952386 -8.87023775 -4.74721902 -2.79527395 -3.33787856 -1.61328858 -9.31728929 -10.50772098 -1.79529903 -5.37585417 -7.20826207 0.84711077 1.21211826 -3.52735256 -1.39143924 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27858-32-8 60196424 144212104 F Titanium(4+) bis[(2E)-4-oxohex-2-en-2-olate] dipropan-2-olate CC(C)O[Ti](OC(/C)=C/C(=O)OCC)(OC(C)C)OC(\C)=C\C(=O)OCC Tox21_301787 -NCGC00356990-01 196711489 tox21-ror-cho-viability-p1 set2 -2.4 9.6885416101 -30.6569839879 -0.5 -31.1569839879 0.5 0.8188259816 0.0052247122 0.63464931 -5.17431368 0.80306176 -1.64487445 1.06573661 -1.03385983 -7.37710208 -9.13833931 -8.4928791 -6.41292158 -14.0691565 -6.97255694 -22.96993611 -25.13081999 -21.01023418 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76703-62-3 6440554 251919709 F gamma-Cyhalothrin Cl\C(=C/[C@H]3[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc1ccccc1)c2)C3(C)C)C(F)(F)F Tox21_303815 -NCGC00244580-01 196726252 tox21-ror-cho-viability-p1 set3 4 0.05616017 2.96793556 0.5192764 4.38966368 5.96100228 4.25500898 11.54668932 3.97689025 2.23566539 2.61254028 5.23994784 3.75010332 0.79736268 -0.05231212 1.80530354 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00186006-03 196725827 tox21-ror-cho-viability-p1 set3 4 0.0007497804 -11.8226903079 10 -1.8226903079 4.9549173134 0.8489986893 0.0024306193 7.39901383 -2.87374065 -1.37176627 -1.3787404 -1.21566213 -2.10282557 -1.2584228 -1.96951019 -2.05760538 -1.32799512 -1.83730148 -2.0429105 -4.01890859 -3.04279364 -0.004058 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 77191-36-7 71157 170466286 A Nefiracetam O=C2CCCN2CC(=O)Nc1c(C)cccc1C Tox21_113521_1 -NCGC00024427-05 196726246 tox21-ror-cho-viability-p1 set3 4 -1.26210697 1.3385689 -5.41684024 5.38337687 9.44610826 -0.8400346 8.58702094 8.19223164 3.44126179 -0.6508425 10.39144527 10.77142161 -0.20707164 13.30334019 -3.45223923 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16590-41-3 5360515 170465207 A Naltrexone hydrochloride O=C1CC[C@@]6(O)[C@H]3Cc5ccc(O)c4O[C@@H]1[C@]6(CCN3CC2CC2)c45 Tox21_112007_1 -NCGC00179556-03 196726250 tox21-ror-cho-viability-p1 set3 4 3.45461963 1.38137944 0 5.29420617 5.72171541 -3.20644295 15.27750154 -6.97397369 -8.61598856 10.31813543 -8.43159537 -0.69405641 1.09573978 7.43039898 5.606354 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50370-12-2 47965 170464658 I Cefadroxil CC=3CS[C@H]2N(C(=O)[C@H]2NC(=O)[C@H](N)c1ccc(O)cc1)C=3C(=O)O Tox21_110651_1 -NCGC00256956-01 196726656 tox21-ror-cho-viability-p1 set3 4 -0.08168976 -0.49619096 -1.10102628 -0.29029331 -3.05924823 -2.72474009 -0.25375315 -6.08776338 0 -3.16287718 0 1.80637574 -0.09975034 -3.0276916 0.79667507 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 126-98-7 31368 144213489 FNS Methacrylonitrile C=C(C)C#N Tox21_303172 -NCGC00256474-01 196726658 tox21-ror-cho-viability-p1 set3 4 -0.0534781 -0.3258047 0.12562922 0.58966909 -0.78239449 0.6325868 3.91677442 4.01551437 0.03611255 2.61126838 3.38470221 1.4476503 2.10265123 -0.36186236 0.10699212 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-70-9 7522 144213149 A F 2-Pyridinecarbonitrile N#Cc1ccccn1 Tox21_302832 -NCGC00256657-01 196726659 tox21-ror-cho-viability-p1 set3 4 -2.58450744 -5.10952056 -5.09526736 -5.27940012 4.42824038 -3.36082408 -8.69648561 0 -18.61022853 0 0 3.62152698 -8.34870509 -10.05548647 -5.01533024 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 4643-27-0 521196 144213034 F 2-Octen-4-one CC=CC(=O)CCCC Tox21_302717 -NCGC00256332-01 196726666 tox21-ror-cho-viability-p1 set3 4 -4.68578828 -1.55494157 -1.71655596 -3.76182576 -2.90137086 -5.00824646 -3.56285203 -14.67960979 -26.1125588 -23.06796409 0 2.6705059 2.83134549 -0.18854132 -7.63979885 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 834-28-6 13266 144213321 A A Phenformin hydrochloride Cl.N=C(N)NC(=N)NCCc1ccccc1 Tox21_303004 -NCGC00259757-01 196709683 tox21-ror-cho-viability-p1 set2 4 -1.50292736 -4.1959962 -4.02201876 -3.82250008 -3.33570677 -0.94639277 -3.91397612 1.15327898 -1.96839885 -2.06394923 -2.36772087 -0.73693156 -0.7254218 -0.06439292 1.88244648 1.191E-9 2.663E-9 5.955E-9 1.332E-8 2.977E-8 6.6579999999E-8 1.489E-7 3.3289999999E-7 7.4429999999E-7 0.0000016639999999 0.0000037219999999 0.000008322 0.00001861 0.000041609999999 0.00009304 112-70-9 8207 144209406 A A 1-Tridecanol CCCCCCCCCCCCCO Tox21_202208 -NCGC00259469-01 196709274 tox21-ror-cho-viability-p1 set2 4 0.0015449045 14.330423064 -14.830423064 -0.5 0.6 0.5691247726 0.1219782697 -10.69201922 -4.03194994 -0.87279882 -7.90394029 -2.66348919 -1.39020861 -2.4198854 -0.34117937 -2.02696269 -0.86020164 -1.23792114 -0.11396045 -1.23355448 -1.87035238 2.56370482 1.1859999999E-9 2.653E-9 5.9309999999E-9 1.326E-8 2.966E-8 6.6309999999E-8 1.4829999999E-7 3.316E-7 7.4139999999E-7 0.0000016579999999 0.000003707 0.000008289 0.00001854 0.00004145 0.00009268 95-93-2 7269 144209118 AC Ac 1,2,4,5-Tetramethylbenzene Cc1cc(C)c(C)cc1C Tox21_201920 -NCGC00259846-01 196709277 tox21-ror-cho-viability-p1 set2 4 0.33904309 0.63934799 1.35372792 2.69088577 1.48628993 -1.26387032 -0.9835183 5.17023557 -1.36426497 0.77885383 3.43811386 2.00784167 0.23025606 4.12895057 0.67130723 1.191E-9 2.664E-9 5.956E-9 1.332E-8 2.978E-8 6.6589999999E-8 1.489E-7 3.33E-7 7.445E-7 0.000001665 0.0000037229999999 0.000008324 0.00001861 0.00004162 0.00009306 631-64-1 12433 144209495 A A Dibromoacetic acid BrC(Br)C(=O)O Tox21_202297 -NCGC00259685-01 196709682 tox21-ror-cho-viability-p1 set2 4 -6.24892027 -5.97270091 1.993216 -4.69180849 2.57466505 -2.52450014 -5.5412892 -4.69822518 -3.04692213 -2.85049075 -3.61328173 -2.14823598 -2.59395747 -5.60838661 -3.09319764 1.187E-9 2.653E-9 5.9329999999E-9 1.327E-8 2.966E-8 6.633E-8 1.4829999999E-7 3.317E-7 7.416E-7 0.0000016579999999 0.000003708 0.000008291 0.00001854 0.00004146 0.0000927 140-08-9 8783 144209334 D Tris(2-chloroethyl) phosphite ClCCOP(OCCCl)OCCCl Tox21_202136 -NCGC00258895-01 196709693 tox21-ror-cho-viability-p1 set2 4 -1.25757344 1.41069129 0.18287874 1.38476757 1.42043763 -0.87421079 2.07565444 0.54748043 0.18517834 2.48095193 3.76858555 1.39629515 3.81360067 1.91045772 1.44675493 1.221E-9 2.7309999999E-9 6.106E-9 1.365E-8 3.053E-8 6.8269999999E-8 1.526E-7 3.4129999999E-7 7.632E-7 0.000001707 0.0000038159999999 0.000008533 0.000019079999999 0.00004267 0.00009541 100-70-9 7522 144208541 A A 2-Pyridinecarbonitrile N#Cc1ccccn1 Tox21_201343 -NCGC00255865-01 196710095 tox21-ror-cho-viability-p1 set2 4 3.03948125 3.49097734 1.10915933 -1.05188223 1.70492471 0.11457369 0.02029283 3.65583668 -0.95830275 1.74575749 -1.90042491 1.72052568 2.37002772 0.36047536 0.08011487 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 627-91-8 12328 144212337 F A Methyl hexanedioate O=C(CCCCC(=O)O)OC Tox21_302020 -NCGC00357032-01 196723736 tox21-ror-cho-viability-p1 set3 4 21.6899429044 -12.814217424 3 -9.814217424 1.2221 0.4450663313 0.2473995181 1.55809836 -0.82259513 3.16292425 -0.60257918 7.63657059 0.53016526 3.78397425 5.17626871 6.88921614 6.22998308 -1.85297028 -2.31519562 0.28865819 -6.92851452 6.91779351 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-01-0 8501 251919858 F 4-Chlorobenzoyl chloride O=C(Cl)c1ccc(Cl)cc1 Tox21_303719 -NCGC00024846-08 196723328 tox21-ror-cho-viability-p1 set3 4 6.6824247267 12.206477128 0.293522872 12.5 2.2526478767 0.6984936981 0.0389562212 2.78099155 -1.63583617 -0.15910861 2.068585 2.3442504 -6.83873094 2.68467792 0.865561 1.60576147 0.31282743 0.45725151 0.7996536 12.10037088 7.3706744 15.08238254 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5051-62-7 3517 170465364 A Guanabenz Clc1cccc(Cl)c1/C=N/NC(=N)N Tox21_110932_1 -NCGC00260338-01 196723752 tox21-ror-cho-viability-p1 set3 4 -4.34730724 2.77401704 -0.88549773 -2.24153247 5.55013769 4.96586283 2.76693764 4.25883313 -0.70486488 3.85838765 3.71281635 2.69603025 -8.06749793 -2.62246893 7.01161642 4.424E-12 9.892E-12 2.212E-11 4.946E-11 1.106E-10 2.4729999999E-10 5.53E-10 1.237E-9 2.765E-9 6.183E-9 1.382E-8 3.091E-8 6.912E-8 1.5459999999E-7 3.456E-7 1746-01-6 15625 144209990 Fns 2,3,7,8-Tetrachlorodibenzo-p-dioxin Clc1cc2Oc3cc(Cl)c(Cl)cc3Oc2cc1Cl Tox21_202792 -NCGC00258408-01 196724152 tox21-ror-cho-viability-p1 set3 4 0.0137689755 7.3306874199 -6.3306874199 1 4.9549173134 0.5066989418 0.1734100129 -7.47599301 -1.98182487 -10.27557285 -2.88563354 4.58255526 -1.61274965 -1.06536766 2.30861447 0.62643984 1.56000491 5.85077768 -2.51776497 -1.96081714 -2.19744824 4.74553349 1.1859999999E-9 2.6519999999E-9 5.929E-9 1.326E-8 2.964E-8 6.629E-8 1.482E-7 3.3139999999E-7 7.411E-7 0.000001657 0.0000037059999999 0.000008286 0.00001853 0.000041429999999 0.00009264 76-43-7 6446 144208052 A A Fluoxymestrone C[C@]4(O)CC[C@@H]2[C@]4(C)C[C@H](O)[C@]1(F)[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_200854 -NCGC00090874-04 196724158 tox21-ror-cho-viability-p1 set3 4 0.0021954902 17.189014488 -14.689014488 2.5 1.287561 0.4889829078 0.1889364117 -10.57417874 -2.59172056 -2.01865742 -0.87102948 3.02372589 2.13481441 6.92382968 6.53049511 3.27093611 6.96363875 2.78567692 2.68007952 -0.05664297 -0.08026343 -7.17519867 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00357227-01 196724164 tox21-ror-cho-viability-p1 set3 4 0.0968854161 4.8407658639 -3.3407658639 1.5 3.0654483358 0.5202586728 0.1626694429 -1.87878485 -4.45063822 -3.7538097 -4.24704885 -1.84017233 -2.75173295 0.69354559 4.06361098 2.5481878 -0.86876119 5.76411209 4.466194 -0.70675066 -3.06907199 0.82392888 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122931-48-0 91779 251919711 F Rimsulfuron O=S(=O)(NC(=O)Nc1nc(OC)cc(OC)n1)c2ncccc2S(=O)(=O)CC Tox21_304014 -NCGC00260360-01 196724165 tox21-ror-cho-viability-p1 set3 4 -6.84287677 -2.2998936 0.78626301 3.09653013 4.47676169 5.98345751 7.16711498 -1.70434219 3.83203542 -2.34001503 -1.96238142 -1.98084367 -2.82625583 0.26627673 8.3605163 1.1839999999E-9 2.648E-9 5.922E-9 1.324E-8 2.961E-8 6.621E-8 1.4799999999E-7 3.31E-7 7.4019999999E-7 0.000001655 0.000003701 0.000008276 0.00001851 0.00004138 0.00009253 2370-63-0 71404 144210012 F 2-Ethoxyethyl methacrylate CCOCCOC(=O)C(=C)C Tox21_202814 -NCGC00357187-01 196724168 tox21-ror-cho-viability-p1 set3 4 -7.22264058 -4.24298889 0.11572317 -6.48996127 -2.51000151 -5.99668796 3.19651114 -0.70235243 -8.93181063 -5.67921933 -3.76685772 -1.60606529 -2.71063984 -2.54073187 1.53148928 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 91-10-1 7041 251919969 A 2,6-Dimethoxyphenol COc1cccc(OC)c1O Tox21_303953 -NCGC00263884-02 196697605 tox21-ror-cho-viability-p1 set1 4 -1.31170678 -3.45782491 -0.75023836 -3.21474724 2.14811371 -6.11447608 -1.02894503 0.39841172 -1.44464171 1.01894277 -4.36566349 -0.01108071 -0.32563475 -0.02431619 -1.43708892 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 139264-17-8 60857 170464875 A Zolmitriptan CN(C)CCc2cnc1ccc(cc12)C[C@@H]3NC(=O)OC3 Tox21_111455_1 -NCGC00249934-01 196697550 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -12.290442512 -1 -13.290442512 4.9549173134 0.593473248 0.103039779 1.91654792 -0.10588195 2.00327484 -1.42623047 -3.71213612 -4.54260601 -0.56775879 -5.01977037 -0.12739448 -0.61916465 0.21278012 2.15159779 -0.56725163 -1.68543801 -11.07536876 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50838-36-3 5506 170465866 A F Tolciclate Cc1cc(ccc1)N(C)C(=S)Oc2ccc4c(c2)C3CCC4C3 Tox21_113710 -NCGC00021222-06 196697575 tox21-ror-cho-viability-p1 set1 4 3.32975892 6.31249861 4.00410557 -0.98526485 -1.5518535 0.57764514 -1.08697098 -0.85629167 3.98469463 -0.40772249 -0.26759836 -0.05759874 -0.18199538 3.25758539 -0.90680376 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 152-58-9 440707 170466572 A Cortodoxone OCC(=O)[C@@]3(O)CC[C@H]2[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_110867_1 -NCGC00090750-04 196697596 tox21-ror-cho-viability-p1 set1 4 61.8773215692 -7.698803216 0.5 -7.198803216 4.4494702849 0.4824040086 0.1990225878 -2.5120568 0.3598355 4.27777643 -0.37468002 -0.59338237 -0.12524335 1.41191723 -0.76178299 -0.76910757 0.59349571 1.61727168 1.16279053 4.17741119 -0.69470616 -5.99900268 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00260549-01 196704092 tox21-ror-cho-viability-p1 set1 4 -8.42173122 -12.09707198 -1.73449999 -11.36476263 -1.21636952 -15.43087029 -11.29250873 -2.00240724 -11.55610163 -15.86531962 -7.57283042 -10.5261287 -11.08336308 -7.37751915 0.2300256 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49445 144210202 M M NTP Mix57 CT1 62-EQP Tox21_203004 -NCGC00260603-01 196703679 tox21-ror-cho-viability-p1 set1 4 -0.20898245 1.33014184 -1.91152307 -3.31995125 -0.07596402 -7.58673786 0.67243145 0.14115181 2.02965894 -3.05315619 6.33076291 -5.60290159 2.47246829 1.623402 1.55608549 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49499 144210256 M M NTP Mix6 AR1 8-EQC Tox21_203058 -NCGC00260370-01 196703680 tox21-ror-cho-viability-p1 set1 4 -1.33352646 -0.20514038 -6.28256983 -3.16820918 -3.98875424 1.89689375 -0.26239473 -3.30013219 -12.17589732 -3.36342183 -4.86340426 -4.8576536 -1.86379977 -4.06213138 -2.60578265 1.183E-9 2.644E-9 5.913E-9 1.322E-8 2.9569999999E-8 6.611E-8 1.4779999999E-7 3.306E-7 7.3909999999E-7 0.0000016529999999 0.000003696 0.0000082639999999 0.00001848 0.00004132 0.00009239 350-30-1 67688 144210022 A A 2-Chloro-1-fluoro-4-nitrobenzene Fc1ccc(cc1Cl)[N+]([O-])=O Tox21_202824 -NCGC00260456-01 196704084 tox21-ror-cho-viability-p1 set1 -2.2 54.759821084 -67.4642202113 0.0076684289 -67.4565517824 1.6258976909 0.927365726 0.0000624223 2.45659611 -2.16099365 2.97443254 -1.31313855 -0.01793958 3.81986739 2.64853781 2.48087696 -1.30801041 -1.82315821 -0.77757723 -11.73990282 -11.62497873 -18.72228452 -51.10344832 1.185E-9 2.6499999999E-9 5.927E-9 1.325E-8 2.9629999999E-8 6.626E-8 1.482E-7 3.3129999999E-7 7.408E-7 0.000001657 0.000003704 0.0000082829999999 0.00001852 0.000041409999999 0.000092599999999 2835-99-6 17819 144210108 Z Fns 4-Amino-m-cresol Cc1cc(O)ccc1N Tox21_202910 -NCGC00166140-02 196704511 tox21-ror-cho-viability-p1 set1 4 1.15445455 1.73597166 2.19831353 2.01645152 1.30352122 0.88354112 0.87318477 -13.34713859 0.97292992 1.4591521 0.60884774 2.20301419 2.5465895 1.79948463 1.73609309 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10049-83-9 82325 170465839 A Pyrithioxin dihydrochloride Cl.Cl.Oc1c(CO)c(cnc1C)CSSCc2cnc(C)c(O)c2CO Tox21_112335_1 -NCGC00241097-03 196704916 tox21-ror-cho-viability-p1 set1 4 37.5780357627 -13.8252821639 0 -13.8252821639 4.9549173134 0.7938344808 0.0092460723 -1.249115 1.4310569 2.37639144 0.15936097 -0.92314466 0.53041213 -2.20717261 0.85706457 -0.31904117 0.74018271 -0.04429985 -1.76658371 -2.33471129 1.24244291 -11.52106847 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 387867-13-2 3038522 170466826 A Tandutinib CC(C)Oc1ccc(cc1)NC(=O)N2CCN(CC2)c5ncnc4cc(OCCCN3CCCCC3)c(OC)cc45 Tox21_113366_1 -NCGC00179623-04 196704923 tox21-ror-cho-viability-p1 set1 4 -2.01552824 -4.75384541 -2.72972849 -6.99507388 -1.75973784 1.95178928 0.63875656 -2.54948432 -0.50710719 -4.06613103 -8.328406 0.17028457 0.58053257 -0.1822538 1.58533013 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 83915-83-7 5362118 170464907 Ac Lisinopril dihydrate O.O.OC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)N[C@@H](CCc1ccccc1)C(=O)O Tox21_110798_1 -NCGC00166227-02 196704925 tox21-ror-cho-viability-p1 set1 4 -0.2418222 0.34876604 -1.24771536 0.20219185 6.17970394 1.49044894 4.79763289 6.18038501 1.04905518 0.81069985 -1.05976474 -0.61978524 0.90005929 4.76085279 6.48621007 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84392-17-6 55251 170466092 A Xenalipin OC(=O)c2ccccc2c1ccc(cc1)C(F)(F)F Tox21_112359_1 -NCGC00091284-03 196704521 tox21-ror-cho-viability-p1 set1 4 -5.89428617 -8.46617032 -8.05156955 -7.41864384 -8.03029555 -5.79298746 -8.04366749 -3.27989841 -5.05258224 -2.2888127 -2.10412818 -8.44268438 -5.73692022 -8.72059397 -7.02239958 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2243-62-1 16720 144214001 A A 1,5-Naphthalenediamine Nc2cccc1c2cccc1N Tox21_400040 -NCGC00260368-01 196703702 tox21-ror-cho-viability-p1 set1 -2.4 17.4920812678 -23.636666908 -2 -25.636666908 2.2526478767 0.9206540044 0.0001989338 2.30789892 -1.32652976 -2.85924142 -1.47107206 -2.41532028 -4.72523511 -4.32301594 -3.5470985 -2.05321692 -0.78405324 -0.28606834 -5.56754788 -14.59644189 -22.61388909 -12.00994501 1.195E-9 2.672E-9 5.974E-9 1.336E-8 2.987E-8 6.6799999999E-8 1.494E-7 3.34E-7 7.468E-7 0.0000016699999999 0.0000037339999999 0.000008349 0.00001867 0.00004175 0.000093349999999 3344-77-2 137895 144210020 F F 12-Bromo-1-dodecanol BrCCCCCCCCCCCCO Tox21_202822 -NCGC00260533-01 196704104 tox21-ror-cho-viability-p1 set1 4 -4.23072518 -1.76510933 0.07649322 -1.28051114 -0.48860882 1.78064071 0.153109 -4.49772872 -2.35593932 -1.66008208 -4.30413532 -9.05227149 0.54813964 -3.04818101 -0.18858794 1.158E-9 2.589E-9 5.7879999999E-9 1.2939999999E-8 2.894E-8 6.472E-8 1.447E-7 3.2359999999E-7 7.235E-7 0.000001618 0.000003618 0.000008089 0.000018089999999 0.00004045 0.00009044 59-87-0 5447130 144210186 F F Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_202988 -NCGC00260134-01 196704121 tox21-ror-cho-viability-p1 set1 4 1.45398957 0.9904649 -0.92557149 -0.77406282 0.13593541 0.31291795 8.89701275 -0.21492666 5.80924436 -0.23319846 4.78418397 1.67524911 -1.3867832 1.06370516 2.79601238 1.2069999999E-9 2.7E-9 6.037E-9 1.3499999999E-8 3.0179999999E-8 6.7489999999E-8 1.509E-7 3.375E-7 7.546E-7 0.000001687 0.000003773 0.000008436 0.00001886 0.00004218 0.000094319999999 10043-52-4 5284359 144209783 Calcium chloride [Ca+2].[Cl-].[Cl-] Tox21_202585 -NCGC00015859-14 196704520 tox21-ror-cho-viability-p1 set1 4 5.20049905 4.37346193 0.48082932 1.12420782 -0.10416525 2.50145482 1.19488773 9.16037441 4.22678048 1.07188823 2.77085866 2.2521587 3.15709533 4.6927018 3.88368875 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-06-9 4913 170464952 I Procainamide O=C(NCCN(CC)CC)c1ccc(N)cc1 Tox21_110246_1 -NCGC00253591-01 196717300 tox21-ror-cho-viability-p1 set2 4 26.6032120037 -28.853636328 2 -26.853636328 1.4780888099 0.889402337 0.0005338734 -0.21781281 2.45848178 0.31197984 1.71423246 5.42721378 1.58536697 5.72370411 4.27791375 0.55121209 -2.23876093 0.50819285 0.00067366 -2.65478815 -9.14566017 -19.04469694 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 156601-79-5 3086676 170465906 D F Nepaprazole COc4ccnc1c4CCCCC1S(=O)c2nc3ccccc3n2 Tox21_113728 -NCGC00164494-02 196716885 tox21-ror-cho-viability-p1 set2 4 0.06842466 0.70449831 0.3019331 3.76053294 2.78609312 3.63067021 2.29518137 3.9188332 1.81206474 0.64372553 4.49553864 0.68571759 -0.46068881 1.47328834 1.24477151 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 140-40-9 8798 170466180 A Nithiamide O=C(C)Nc1ncc(s1)[N+]([O-])=O Tox21_112132_1 -NCGC00016055-16 196716888 tox21-ror-cho-viability-p1 set2 2.1 23.7101376556 97.084081553 -3.276182465 93.807899088 3.5117481694 0.9897438284 1E-9 -3.48552434 -6.07331531 -6.44048114 -1.80646222 -2.0595531 -3.26979532 -3.07753111 -0.74771912 0.39305374 -4.0989615 1.55361281 -4.66461339 -3.39593724 35.06881468 84.5116208 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 738-70-5 5578 170464633 B Trimethoprim Nc2nc(N)ncc2Cc1cc(OC)c(OC)c(OC)c1 Tox21_110291_1 -NCGC00095176-08 196716894 tox21-ror-cho-viability-p1 set2 4 2.04383265 0.64689475 1.04364392 1.69872883 3.19051929 1.33650176 6.00668632 4.27180263 -0.25998943 -3.61794744 -1.04292873 2.42878514 0.18185653 0.60799109 -0.15739383 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 68693-11-8 4236 170465042 A Modafinil O=S(CC(N)=O)C(c1ccccc1)c2ccccc2 Tox21_111470_1 -NCGC00090987-03 196717306 tox21-ror-cho-viability-p1 set2 4 3.02917381 4.60148 0.12428837 4.21514718 4.89498392 5.0552354 2.88251769 2.30628178 -1.48187626 0.4393109 0.02568627 -1.59013494 2.84988033 2.36207141 1.56378996 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86-87-3 6862 144213968 A A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_400007 -NCGC00160590-03 196717703 tox21-ror-cho-viability-p1 set2 4 0.73637604 -1.53887084 0.67667427 -1.3665998 0.28271556 0.83550966 0.8530369 0.07055193 -1.60779998 -0.63132194 -0.17323265 -1.35989136 4.17442678 -0.01766004 -4.31866919 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1146-98-1 14369 170466392 F Bromindione Brc1ccc(cc1)C3C(=O)c2ccccc2C3=O Tox21_111919_1 -NCGC00164173-06 196717707 tox21-ror-cho-viability-p1 set2 4 -0.97896501 1.26325408 4.51956372 1.01568886 6.4494154 4.2614994 5.7532532 4.06263639 1.52549002 -0.82179279 1.33716742 0.94475606 1.22803947 -0.14882844 0.62049757 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1843-05-6 15797 170466327 A Octabenzone O=C(c1ccc(cc1O)OCCCCCCCC)c2ccccc2 Tox21_112089_1 -NCGC00159383-04 196717713 tox21-ror-cho-viability-p1 set2 4 0.2113168243 -4.5182612439 4.5 -0.0182612439 4.9549173134 0.5026122953 0.1786048561 3.18457084 3.4921532 1.1818303 0.83052483 5.59572712 6.464061 9.19604479 3.5244773 -0.98766268 -0.75739863 1.32807528 -1.68188437 -1.12161357 2.5578346 -0.29144702 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2315-68-6 16846 170465563 F Propyl benzoate O=C(OCCC)c1ccccc1 Tox21_111621_1 -NCGC00256663-01 196718121 tox21-ror-cho-viability-p1 set2 4 -1.31491859 1.18671577 -1.02635286 -1.16888048 -12.00023568 -0.8467048 -2.50327475 -3.31982688 2.21118875 -3.49072945 0.90641612 -1.90103629 -5.05299239 -4.08037604 2.69899852 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-48-5 31211 144212810 A A 4-(4-Hydroxy-3-methoxyphenyl)-2-butanone Oc1ccc(cc1OC)CCC(C)=O Tox21_302493 -NCGC00256983-01 196718126 tox21-ror-cho-viability-p1 set2 4 -1.47974852 -1.88437249 -1.67215533 0.40925652 -2.00632686 0.46385984 -2.94262093 -6.97915013 1.1206908 -4.35660088 -5.48220326 -0.23555231 -1.7267428 -4.43288924 0.5021212 1.121E-9 2.506E-9 5.6039999999E-9 1.2529999999E-8 2.802E-8 6.265E-8 1.401E-7 3.133E-7 7.005E-7 0.000001566 0.0000035019999999 0.000007831 0.00001751 0.00003916 0.00008756 2807-30-9 17756 144213351 Ac 2-Propoxyethanol CCCOCCO Tox21_303034 -NCGC00256470-01 196718129 tox21-ror-cho-viability-p1 set2 4 1.20194391 0.19858923 2.81301934 -0.13264584 2.07962826 3.77589419 -0.22457008 1.18496365 -0.84765586 -3.6874576 2.56532489 2.68112307 3.00115984 -1.39406029 -0.59562306 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27470-51-5 5362 144213095 A A Suxibuzone O=C(O)CCC(=O)OCC2(CCCC)C(=O)N(c1ccccc1)N(C2=O)c3ccccc3 Tox21_302778 -NCGC00016927-11 196713168 tox21-ror-cho-viability-p1 set2 1.1 13.3331902297 85.5022072197 0.14169395 85.6439011697 3.5117481694 0.9909908019 4E-10 -1.03273122 0.501464 2.1470018 1.58902838 0.758655 1.24945062 0.6750856 -0.43525269 2.55624282 -0.41228854 -1.12449627 1.26635455 14.19406151 78.40035169 83.96460899 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 74011-58-8 3229 170465263 A Enoxacin O=C(O)C2=CN(CC)c1nc(c(F)cc1C2=O)N3CCNCC3 Tox21_110688_1 -NCGC00264046-02 196712746 tox21-ror-cho-viability-p1 set2 4 0.26544451 1.10633428 0.26715293 0.77282233 -1.72831413 -0.34769975 -0.06208639 1.07715895 -1.4550419 -2.73561175 -2.8882668 -3.21933508 -5.18324594 0.07091792 1.50311921 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 70-18-8 124886 170465600 Z Glutathione O=C(NCC(=O)O)[C@@H](NC(=O)CC[C@H](N)C(=O)O)CS Tox21_111371_1 -NCGC00023648-04 196712748 tox21-ror-cho-viability-p1 set2 4 -1.02959399 -0.08968082 -0.35390269 -1.36929029 8.20229481 0.67757944 7.09479159 1.38495623 0.67574934 0.98221303 2.19476255 5.98905606 6.44846254 1.09265021 6.73911421 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 382-67-2 5311067 170464795 A Desoximetasone OCC(=O)[C@H]4[C@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C Tox21_110889_1 -NCGC00255779-01 196727902 tox21-ror-cho-viability-p1 set3 4 8.6349217992 -8.815088988 -2 -10.815088988 0.8999999999 0.604366032 0.0948698895 -4.84890151 0.76350531 -0.96862855 -4.00821782 -3.61367553 -2.15228662 -0.11156471 -3.06961243 1.12653906 -6.62179004 -1.13977734 -9.45475476 -7.48753825 -8.77168445 -9.84590749 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52-85-7 5859 144212224 A A Famphur O=S(=O)(N(C)C)c1ccc(OP(=S)(OC)OC)cc1 Tox21_301907 -NCGC00255407-01 196727081 tox21-ror-cho-viability-p1 set3 -2.4 61.130564862 -37.975528348 -1.5 -39.475528348 2.1210667061 0.9016036355 0.0002979973 -3.71170382 -2.82037136 -2.45777242 -2.58360741 -3.98437611 -3.08097019 0.4377419 -0.22058413 1.57894782 1.19570446 4.31581027 -4.4919705 -6.35277616 -11.98780972 -29.56294029 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1987-50-4 16143 144211865 A A 4-Heptylphenol Oc1ccc(CCCCCCC)cc1 Tox21_301548 -NCGC00257133-01 196727082 tox21-ror-cho-viability-p1 set3 4 0.0544826733 6.1085826919 -5.1085826919 1 4.9549173134 0.7376930943 0.0237820281 -1.00564969 -6.21679629 -3.20082884 -8.42381891 -7.08049661 -0.4109182 0.2746413 2.58579547 0.57530966 0.11029416 0.91573499 0.3488529 1.18805824 2.47691135 2.53053676 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 2893-78-9 517121 144213579 F Sodium dichloroisocyanurate [Na+].ClN1C(=O)[N-]C(=O)N(Cl)C1=O Tox21_303262 -NCGC00256196-01 196727905 tox21-ror-cho-viability-p1 set3 4 38.5707788719 -13.765894084 2.5 -11.265894084 2.7202212143 0.5799329477 0.1123194985 -4.62232126 7.24072801 5.66912604 2.43374026 2.27940795 0.58216439 -0.3507748 2.38096405 2.65649639 2.85139507 0.75927631 6.98134886 4.16153388 -6.6922686 -9.38824507 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3913-81-3 5283345 144212619 F F (2E)-2-Decenal CCCCCCC\C=C\C=O Tox21_302302 -NCGC00255860-01 196727914 tox21-ror-cho-viability-p1 set3 4 4.05150089 3.62225301 -0.47033735 3.67999506 3.1901293 -0.13854798 3.46074105 2.90912224 0.48537384 1.84219 6.0161723 1.2047558 4.67923373 4.40532353 1.36575082 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 491-07-6 70962 144212308 Z F (2R,5R)-5-Methyl-2-(propan-2-yl)cyclohexanone CC(C)[C@H]1CC[C@@H](C)CC1=O Tox21_301991 -NCGC00256310-01 196727919 tox21-ror-cho-viability-p1 set3 4 0.0306378587 18.004372396 -7.504372396 10.5 0.4 0.3906473151 0.2806204396 -0.16929324 -5.27015416 -5.42031033 0.8122263 1.43109438 7.01743446 5.71088795 9.40584167 0.8511113 0.21340445 3.80668543 25.50919441 4.21556342 9.23130062 9.22491268 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 67674-36-6 6364671 144212709 F F (2E,6Z)-1,1-diethoxynona-2,6-diene CCOC(/C=C/CC/C=C\CC)OCC Tox21_302392 -NCGC00255979-01 196728326 tox21-ror-cho-viability-p1 set3 4 76.9588215421 22.6258161399 -4.6258161399 18 4.9549173134 0.5261278125 0.1557137896 4.82495197 -5.10474091 -11.77151345 -7.40822985 -5.14378441 -5.16352311 -0.4435726 -3.69463735 0.02055578 -9.16366747 -6.40392948 -4.60879767 -0.92902291 -6.77255855 12.57754727 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 6706-59-8 82170 144212071 F A L-Glucitol O[C@@H]([C@@H](O)CO)[C@@H](O)[C@H](O)CO Tox21_301754 -NCGC00255772-01 196728327 tox21-ror-cho-viability-p1 set3 -1.2 21.6899429044 -31.3753007794 0.9996410304 -30.375659749 4.9549173134 0.8826408577 0.0007084246 -1.49496576 0.61429875 -1.99909792 6.16475099 -1.70549184 6.08478523 -3.11144263 -3.59037595 -1.32690736 9.27686465 -2.95269602 4.17895371 -8.3623667 -28.57820358 -30.73031474 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 638-07-3 69484 144212380 F F Ethyl 4-chloro-3-oxobutanoate O=C(CCl)CC(=O)OCC Tox21_302063 -NCGC00091088-05 196711761 tox21-ror-cho-viability-p1 set2 -3 6.8589621897 -56.887871741 -2.200332511 -59.088204252 4.9549173134 0.9143001321 0.001073511 -0.67889403 -0.74381118 -1.37417278 -0.02223186 -2.258326 -5.03336017 -8.39595892 -9.17822266 -2.97039007 2.23953401 -0.117474 -44.7637911 0.05571373 -3.52625252 -18.39260864 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 271-89-6 9223 144214015 FNS 2,3-Benzofuran c1cccc2occc12 Tox21_400054 -NCGC00357230-01 196711346 tox21-ror-cho-viability-p1 set2 -2.4 61.130564862 -29.931588008 4.5 -25.431588008 4.9549173134 0.790671799 0.0096231935 -0.18719072 1.05916838 0.02384431 6.35615502 -0.58322176 6.07341786 5.27472384 8.12550544 7.84621296 7.2894316 0.31403455 9.0311086 8.69960232 0.83768331 -22.02632334 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 719-59-5 12870 251919939 A 2-Amino-5-chlorobenzophenone Nc2ccc(Cl)cc2C(=O)c1ccccc1 Tox21_304017 -NCGC00357288-01 196711351 tox21-ror-cho-viability-p1 set2 4 26.6032120037 -15.377851112 2.5 -12.877851112 3.6772481694 0.8130899919 0.0060690782 2.1064381 6.17273667 -0.76976622 3.71457867 1.46032328 1.80051781 1.60370495 3.0819446 4.34380476 2.73807983 -0.16059516 1.26602627 2.36098813 -1.69893605 -11.14820926 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 193-39-5 9131 251919673 C Indeno(1,2,3-cd)pyrene c5ccc6c1cc2cccc3ccc4ccc(c1c4c23)c6c5 Tox21_304020 -NCGC00260198-01 196711749 tox21-ror-cho-viability-p1 set2 4 60.1255352668 -23.8378830279 2 -21.8378830279 3.9899729863 0.9005301243 0.0003161383 0.21703984 1.42830367 -0.40105547 1.11445803 4.40996871 3.33815618 4.52828799 5.22405018 2.88028944 1.50075948 0.76793197 -0.45991931 3.94011552 -3.54483643 -19.03156919 1.281E-9 2.8639999999E-9 6.404E-9 1.4319999999E-8 3.202E-8 7.1599999999E-8 1.6009999999E-7 3.5799999999E-7 8.005E-7 0.00000179 0.000004003 0.0000089499999999 0.00002001 0.00004475 0.0001001 244193-50-8 2734179 144209848 A A 1-Hexyl-3-methylimidazolium tetrafluoroborate F[B-](F)(F)F.C[n+]1ccn(CCCCCC)c1 Tox21_202650 -NCGC00274060-01 196698410 tox21-ror-cho-viability-p1 set1 -2.2 11.8832183006 -46.702790125 2.336434765 -44.36635536 0.7999999999 0.9520964654 0.000006656 3.89196819 6.2993419 1.76657956 1.68625504 0.42881349 3.30507309 0.47611395 -0.62419016 0.54738347 -6.09936268 -8.21357532 -11.17212659 -13.12359198 -24.79999277 -36.9719628 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 171228-49-2 147912 170464963 A Posaconazole C[C@H](O)[C@H](CC)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OCC6C[C@@](Cn5cncn5)(OC6)c7ccc(F)cc7F Tox21_113620_1 -NCGC00164127-03 196698419 tox21-ror-cho-viability-p1 set1 -2.1 54.4826732819 -100.8526333958 -2.369705041 -103.2223384368 1.9673362061 0.9922663689 2E-10 -5.38555984 -1.94099167 -1.39981775 0.49830917 -0.80656149 -3.06353976 -4.20360168 -2.08005162 -0.57942099 -3.22987264 -1.8482073 -7.7766514 -15.53467612 -38.36859213 -78.19874124 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 140-66-9 8814 144213972 A A 4-(1,1,3,3-Tetramethylbutyl)phenol Oc1ccc(cc1)C(C)(C)CC(C)(C)C Tox21_400011 -NCGC00090760-08 196698427 tox21-ror-cho-viability-p1 set1 -3 68.1713220381 -60.5311355802 -0.55494216 -61.0860777402 4.9549173134 0.9951817291 0 -1.67506931 -0.88954476 -0.21352622 -0.58275637 -1.05568302 -0.21066414 0.58233515 -0.58286122 -1.1650807 -1.04215772 -2.64535218 0.01058886 0.87793133 -5.24069525 -49.67149027 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 72-43-5 4115 144214036 A A Methoxychlor COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl Tox21_400075 -NCGC00254368-01 196698832 tox21-ror-cho-viability-p1 set1 4 -3.33885707 -2.43305546 1.1395281 -1.53700402 -0.01642984 -2.41071442 -0.62704024 -0.40361005 -3.65408174 0.8512939 -3.08714026 -0.38298342 -4.24268807 1.41494808 4.15222298 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 478149-53-0 9930121 144210766 A A PHA-00543613 O=C(N[C@H]2CN1CCC2CC1)c3cc4ccoc4cn3 Tox21_300448 -NCGC00253912-01 196698840 tox21-ror-cho-viability-p1 set1 4 -1.13441987 0.96510154 -2.74152476 -0.82884548 -4.91044938 -2.03319567 -1.78497667 -2.7485913 -2.41414004 -1.59835921 2.23126649 2.5644447 -3.73687353 -4.08415368 -2.15443907 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 103-90-2 1983 144210420 A A Acetaminophen Oc1ccc(NC(C)=O)cc1 Tox21_300100 -NCGC00254384-01 196698849 tox21-ror-cho-viability-p1 set1 4 -1.52742806 -0.30017697 -1.14163194 1.98067955 -0.01233633 0.51741154 -0.07262352 -1.04188237 2.60257139 -0.00967832 2.18180626 -0.79215876 2.80903919 1.09316031 0.46172297 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-49-8 7238 144210647 FNS 2-Chlorotoluene Cc1ccccc1Cl Tox21_300329 -NCGC00254356-01 196699247 tox21-ror-cho-viability-p1 set1 -2.2 51.5595002592 -39.928873212 1.5 -38.428873212 2.7867712143 0.9702134947 4.68E-7 1.32686715 1.98120812 -1.59209174 3.11795018 0.16419231 2.97053938 2.14234737 1.98838522 -0.13366974 1.39766921 3.69537503 -1.41130827 0.11744406 -11.7499202 -30.77406101 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 79-94-7 6618 144210878 A A 3,3',5,5'-Tetrabromobisphenol A Brc1cc(cc(Br)c1O)C(C)(C)c2cc(Br)c(O)c(Br)c2 Tox21_300561 -NCGC00016642-04 196697358 tox21-ror-cho-viability-p1 set1 4 13.3331902297 -11.596872084 1 -10.596872084 1.6435888099 0.6150649761 0.0871785 -5.38122998 3.1880665 4.75339152 2.05473431 0.94989076 -1.07209958 3.67317968 -0.08744844 -1.33213999 0.64201318 1.92725907 0.1854515 -4.79566255 -5.19153398 -9.66406007 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3819-00-9 19675 170465363 A Piperacetazine CC(=O)c2cc3N(CCCN1CCC(CCO)CC1)c4ccccc4Sc3cc2 Tox21_110540_1 -NCGC00016698-06 196697346 tox21-ror-cho-viability-p1 set1 4 -1.19514073 -4.42485275 -6.15878753 -0.7461756 -2.27691003 -0.87933094 -3.53167343 5.43168681 -2.91788842 -5.16214137 1.08364282 -3.44359701 -3.76808041 -9.46798824 -9.17878237 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13187-06-9 5702167 170466169 A Pimethixene maleate O=C(O)/C=C\C(=O)O.CN1CC\C(CC1)=C2/c4ccccc4Sc3ccccc23 Tox21_111354_1 -NCGC00016309-06 196697352 tox21-ror-cho-viability-p1 set1 4 0.97483623 0.0050434 -1.36362015 -0.24909845 -0.62817033 -0.8720559 -1.94185471 -1.89727007 -0.03371022 -2.09890382 0.08741943 -2.54224152 0.6627407 -2.26939842 -0.59351378 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72-14-0 5340 170465454 A Sulfathiazole O=S(=O)(Nc1nccs1)c2ccc(N)cc2 Tox21_110363_1 -NCGC00163774-04 196697355 tox21-ror-cho-viability-p1 set1 4 2.12027289 2.37594524 3.14649551 3.74645957 3.93013683 0.52718808 4.34499926 1.85767526 2.15021604 3.13282401 -1.9609642 0.33919934 1.47630612 2.52362363 4.74564283 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00181011-02 196697365 tox21-ror-cho-viability-p1 set1 4 0.74144856 -3.89440189 4.18983008 0.3873283 23.2086145 0.77705977 -2.62686194 1.19633867 1.14821423 0.65755197 -7.89858638 -3.57013659 -0.00801473 2.14784777 3.37152777 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 103766-25-2 54679224 170466048 A Gimeracil ClC1=CNC(=O)C=C1O Tox21_112661_1 -NCGC00162319-05 196697402 tox21-ror-cho-viability-p1 set1 4 -6.86711589 -0.22133685 -6.15117754 -2.29642584 -1.38538294 -3.22373507 0.45417449 -1.69489897 -9.68257832 -1.76851008 -4.23636707 -2.42667859 -0.4582142 1.6952021 0.67961236 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 97466-90-5 57242 170466296 I Quinelorane Nc1ncc2C[C@H]3N(CCC[C@@H]3Cc2n1)CCC Tox21_112009_1 -NCGC00257270-01 196707010 tox21-ror-cho-viability-p1 set1 4 -14.37682907 -15.82132239 -10.7517374 -12.54105536 -17.82451368 -9.17679497 -14.04240258 -19.82396555 -14.91392299 -16.2394163 -15.29572787 -20.21290024 0.46318449 -16.29542057 -13.50937164 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66-25-1 6184 144213659 F Hexanal CCCCCC=O Tox21_303342 -NCGC00258883-01 196706584 tox21-ror-cho-viability-p1 set1 4 0.0218002774 11.5016105479 -12.5016105479 -1 4.9549173134 0.748072207 0.0201469327 -11.69445086 -8.03129828 -15.41800879 -14.1759008 -2.18797394 -0.23091349 -7.82127336 0.08117076 -4.24847374 -1.97236162 0.1370753 -0.44459571 1.07247194 3.00080065 -1.72968996 1.185E-9 2.649E-9 5.9239999999E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.311E-7 7.405E-7 0.000001656 0.000003702 0.000008279 0.00001851 0.00004139 0.00009256 63-74-1 5333 144208529 A A Sulfanilamide Nc1ccc(cc1)S(=O)(N)=O Tox21_201331 -NCGC00258971-01 196706593 tox21-ror-cho-viability-p1 set1 4 11.06669581 9.70554919 0.92723602 3.40014255 6.32627797 0.89551632 6.21920524 3.72203128 2.41679618 14.25930114 -1.62576367 4.83531145 3.12311291 -4.92064563 2.00715115 1.208E-9 2.7E-9 6.038E-9 1.3499999999E-8 3.019E-8 6.751E-8 1.51E-7 3.376E-7 7.548E-7 0.0000016879999999 0.0000037739999999 0.000008439 0.00001887 0.000042189999999 0.000094349999999 59-67-6 938 144208618 A A Nicotinic acid O=C(O)c1cccnc1 Tox21_201420 -NCGC00163906-02 196706991 tox21-ror-cho-viability-p1 set1 4 -0.31703469 1.96268661 -4.12434184 -3.63973862 -4.80135302 3.37202049 0.51709308 -0.4368909 -2.51479451 1.0893096 -0.74793048 -1.10084264 -4.27315907 -1.61143992 -1.40136029 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 527-20-8 10693 144213982 Ac Ac Pentachloroaniline Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl Tox21_400021 -NCGC00091586-02 196707406 tox21-ror-cho-viability-p1 set1 4 -6.04578173 -3.71290399 -3.13061773 -16.93608493 -8.07078889 -17.31638115 -6.84332907 -13.37276127 -17.62480868 -15.53147783 -12.44774076 -5.8618854 0.55967201 -9.79585066 -23.38007589 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.042E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 2052-07-5 16329 144214000 A A 2-Bromobiphenyl Brc2ccccc2c1ccccc1 Tox21_400039 -NCGC00256367-01 196707413 tox21-ror-cho-viability-p1 set1 4 68.5896218971 16.989165092 -3.489165092 13.5 4.0949729863 0.4282834847 0.2453708947 -0.84288708 -0.29363108 -5.20278552 -7.42850051 -7.74783544 -1.18584273 -1.93044361 -3.27435762 -14.99097091 -1.12849322 -0.64290625 -1.5760605 -0.46717898 -1.88974492 9.65500309 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2016-57-1 8916 144213255 A Ac 1-Decanamine CCCCCCCCCCN Tox21_302938 -NCGC00164555-03 196705368 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -17.1609340039 0 -17.1609340039 4.9549173134 0.8493449801 0.0023336694 -1.88580342 0.99225986 -0.97035364 0.55370864 1.10353265 -0.29827754 -1.00355525 2.10462705 0.17585622 1.975904 -0.8255832 -1.09007819 -1.34528674 2.59408782 -15.13411167 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 130929-57-6 5281081 170464850 A Entacapone Oc1cc(\C=C(/C#N)C(=O)N(CC)CC)cc([N+]([O-])=O)c1O Tox21_112184_1 -NCGC00091650-03 196705361 tox21-ror-cho-viability-p1 set1 4 -1.39048916 0.43372131 1.46342259 -1.55508307 -0.5718642 1.56940114 1.27725965 -0.34869306 -0.2474887 0.43233194 -0.75330944 0.33573032 -1.90604635 0.80300621 -0.35319189 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 121-88-0 4984721 144213997 A A 2-Amino-5-nitrophenol Nc1ccc(cc1O)[N+]([O-])=O Tox21_400036 -NCGC00165767-04 196705362 tox21-ror-cho-viability-p1 set1 4 4.76465324 -0.08528555 1.03585905 0.10543206 4.43208447 -1.14909299 3.56465388 0.33144292 7.41730273 -2.53633055 0.27675756 -0.55887586 5.66758367 3.77870488 -1.6247623 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2624-43-3 2898 170465970 A Cyclofenil CC(=O)Oc1ccc(cc1)C(/c2ccc(OC(C)=O)cc2)=C3/CCCCC3 Tox21_112259_1 -NCGC00181010-02 196705366 tox21-ror-cho-viability-p1 set1 4 3.02633062 3.59118819 6.17421164 0.66895443 0.17896067 2.43512859 -5.39378699 0.94989972 -2.57365219 0.37644314 3.08728086 4.7520251 5.62402665 0.17245218 4.75215258 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54240-36-7 6917754 170465921 A Mabuterol hydrochloride Cl.Nc1c(cc(cc1Cl)C(O)CNC(C)(C)C)C(F)(F)F Tox21_112660_1 -NCGC00247331-02 196705374 tox21-ror-cho-viability-p1 set1 4 -3.91333137 -2.25221831 2.27647612 -5.22680182 -4.48994012 1.38016781 -4.92278182 -4.72182705 -4.31501332 2.74384335 1.19806484 0.17962963 0.56025644 -3.53288069 -3.06132468 1.1699999999E-9 2.6159999999E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.539E-8 1.462E-7 3.269E-7 7.311E-7 0.000001635 0.0000036549999999 0.000008173 0.00001828 0.000040869999999 0.00009138 20224-45-7 31143 144206420 A A S-(-)-Secobarbital O=C1NC(=O)NC(=O)C1(CC=C)[C@H](C)CCC Tox21_112867 -NCGC00259862-01 196705772 tox21-ror-cho-viability-p1 set1 4 30.6067041936 -14.487863844 1 -13.487863844 4.9549173134 0.5618969259 0.126007423 2.6194195 1.22438615 0.56923007 4.54694298 8.11352733 -4.20695392 -0.92565906 0.04949693 -9.62820762 3.89830579 -1.2338197 2.90269122 1.0345831 -11.35438638 -13.32321987 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.000018429999999 0.0000412 0.000092129999999 99-56-9 5111791 144209511 A A 4-Nitro-1,2-phenylenediamine Nc1ccc(cc1N)[N+]([O-])=O Tox21_202313 -NCGC00259604-01 196705773 tox21-ror-cho-viability-p1 set1 4 0.0047965769 -8.2577529161 9 0.7422470839 0.3 0.3200711246 0.3536737554 5.92267707 2.04939423 5.64422397 10.04535819 2.35049626 0.85349681 1.48581197 2.68686488 1.89964593 3.84439343 3.86175248 0.76803278 -1.04812743 0.81684629 2.10790659 1.1679999999E-9 2.6109999999E-9 5.8389999999E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.299E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.000040799999999 0.000091239999999 89-62-3 6978 144209253 A A 4-Methyl-2-nitroaniline O=[N+]([O-])c1cc(C)ccc1N Tox21_202055 -NCGC00163953-03 196720228 tox21-ror-cho-viability-p1 set3 -3 72.7253077472 -67.534219001 6 -61.534219001 4.5044702849 0.7513768583 0.0190194812 16.98560299 -3.26106736 -4.28036033 12.07618561 8.63919705 11.26555196 -3.22231322 13.08937731 -6.49776692 16.57752727 5.4871263 10.03452456 -1.1618298 0.36800153 -46.79666054 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00254544-01 196719812 tox21-ror-cho-viability-p1 set3 4 7.48463196 -0.18745093 8.03181443 3.79474537 1.42332552 1.66837573 2.54839031 1.18382846 -8.61636708 8.6971596 5.25662157 2.0439753 -8.55987001 8.26989371 4.34072988 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1024-57-3 13930 144210938 A F Heptachlor epoxide ClC3=C(Cl)C4(Cl)C2C(C1OC1C2Cl)C3(Cl)C4(Cl)Cl Tox21_300621 -NCGC00254466-01 196719817 tox21-ror-cho-viability-p1 set3 -1.1 12.7824315366 -127.4056719773 6.2857049045 -121.1199670728 1.826479391 0.976201053 1.293E-7 6.51019187 4.5703933 4.34236345 -1.10241153 5.86978764 8.3183394 7.69442499 -3.96615048 13.56598043 8.38119333 0.90854503 -33.48622503 -90.12851502 -112.14811766 -103.07172919 1.227E-9 2.743E-9 6.1349999999E-9 1.3719999999E-8 3.0669999999E-8 6.859E-8 1.534E-7 3.429E-7 7.668E-7 0.000001715 0.000003834 0.000008573 0.00001917 0.000042869999999 0.000095849999999 26530-20-1 33528 144210883 A A Octhilinone O=C1C=CSN1CCCCCCCC Tox21_300566 -NCGC00254304-01 196719828 tox21-ror-cho-viability-p1 set3 -2.4 48.5577336745 -31.501621016 -1.5 -33.001621016 2.4063783767 0.7813792375 0.0114857015 -4.56447807 -6.76846021 2.63223263 -6.61202427 -4.92234228 0.28704064 0.48912467 2.94050104 -5.81797807 0.48125462 -5.16405209 2.89591812 -0.2020797 -15.76244698 -27.08468418 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 135080-03-4 9885850 144210782 A Ac CP-100829 O=C(C2c1cc(F)c(Cl)cc1N(C(N)=O)C2=O)c3cc(Cl)cs3 Tox21_300464 -NCGC00254366-01 196714839 tox21-ror-cho-viability-p1 set2 4 43.2771256911 -13.222497332 -2 -15.222497332 1.331 0.4800125767 0.1975325861 -7.43658541 -5.32342501 -3.12027369 0.3658913 -1.21183447 3.51730187 -0.15754196 -2.71613243 0.89975319 -0.08673966 -3.68598626 -7.23910514 -0.3848186 -9.89577529 -11.85208111 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 33820-53-0 36606 144210740 A A Isopropalin [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)C(C)C Tox21_300422 -NCGC00255101-01 196714423 tox21-ror-cho-viability-p1 set2 4 3.61509165 2.02908065 -0.53542774 -1.45899064 1.82684499 1.90425042 3.92396955 -0.21611087 1.77497471 1.59757565 2.67733778 6.24963256 6.71224103 0.85255902 3.89063777 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-84-2 8017 144211521 FNS 2-Hydroxyethylhydrazine NNCCO Tox21_301204 -NCGC00254418-01 196714425 tox21-ror-cho-viability-p1 set2 -2.4 15.3553036427 -27.624571296 1 -26.624571296 3.9899729863 0.9733814341 2.463E-7 0.57960483 -1.64922469 2.08129875 -1.04134548 2.63606567 -0.05836026 1.14926247 -0.91792867 4.14782821 0.81652554 -0.61342614 0.95923378 -18.40724916 -26.77047608 -25.34769983 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79902-63-9 54454 144210718 B C Simvastatin CC(C)(CC)C(=O)O[C@H]2C[C@@H](C)C=C3C=C[C@H](C)[C@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@@H]23 Tox21_300400 -NCGC00254511-01 196714831 tox21-ror-cho-viability-p1 set2 4 1.6785492 6.319178232 -0.819178232 5.5 3.9899729863 0.758707817 0.022807299 -0.48002746 1.55398082 -2.76598186 -2.41263012 -0.11919725 -1.73274177 1.18265598 -0.74757974 -0.87690373 -1.36831549 3.08229435 6.61392738 7.68503001 2.7519218 2.26059355 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1120-01-0 23695542 144210699 A Ac Sodium hexyldecyl sulfate [Na+].[O-]S(=O)(=O)OCCCCCCCCCCCCCCCC Tox21_300381 -NCGC00254787-01 196715245 tox21-ror-cho-viability-p1 set2 4 0.25175833 0.41435503 -0.81097064 -0.92261492 0.18083299 -0.20289261 -0.66946308 -0.46679237 0.86050465 0.30278113 2.8744098 3.42118119 7.54236362 3.68864495 0.34567566 1.2279999999E-9 2.746E-9 6.1399999999E-9 1.3729999999E-8 3.07E-8 6.865E-8 1.535E-7 3.4329999999E-7 7.676E-7 0.000001716 0.0000038379999999 0.000008582 0.00001919 0.000042909999999 0.000095939999999 1121-76-2 70724 144211200 A Ac 4-Chloropyridine 1-oxide [O-][n+]1ccc(Cl)cc1 Tox21_300883 -NCGC00253929-01 196715248 tox21-ror-cho-viability-p1 set2 4 -0.89696817 -0.66422315 0.58912061 -2.90704291 0.46614505 -0.40372445 -2.3022903 -7.18677895 -3.95984252 -7.19157748 0.05179066 -6.25091489 -0.88645835 -3.62570986 -3.9603216 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 186392-65-4 6451325 144210526 A A Ingliforib O[C@H]1CN(C[C@H]1O)C(=O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)c3cc4cc(Cl)ccc4n3 Tox21_300206 -NCGC00258007-01 196715673 tox21-ror-cho-viability-p1 set2 4 4.25763315 3.39253098 1.72578473 2.55520008 3.17327371 1.18988551 0.48544788 2.02000008 6.52536914 2.66403566 -1.07146812 -0.98834293 3.08941376 1.5967605 -0.17729934 1.156E-9 2.586E-9 5.7819999999E-9 1.293E-8 2.891E-8 6.465E-8 1.446E-7 3.232E-7 7.228E-7 0.000001616 0.0000036139999999 0.000008081 0.000018069999999 0.000040409999999 0.000090349999999 1185-55-3 14456 144207651 D Trimethoxymethylsilane C[Si](OC)(OC)OC Tox21_200453 -NCGC00257659-01 196716072 tox21-ror-cho-viability-p1 set2 4 26.6685885365 -15.355983176 -1.5 -16.855983176 4.9549173134 0.6426314781 0.0808971734 -0.85378244 1.05173243 -5.64921644 0.66681228 2.07423963 -1.59706718 1.12473251 -8.5402462 -4.87329844 0.35889785 -0.65138156 0.26490025 -1.19960812 -17.37998598 0.82906366 1.157E-9 2.587E-9 5.784E-9 1.293E-8 2.892E-8 6.467E-8 1.446E-7 3.234E-7 7.2309999999E-7 0.000001617 0.000003615 0.000008084 0.000018079999999 0.00004042 0.000090379999999 4901-51-3 21013 144207303 A A 2,3,4,5-Tetrachlorophenol Clc1c(O)cc(Cl)c(Cl)c1Cl Tox21_200105 -NCGC00253598-01 196712593 tox21-ror-cho-viability-p1 set2 4 1.35744672 0.55002824 2.2733903 1.70636185 2.42553207 -1.28546473 2.53772312 1.57225778 2.24140124 1.4310575 0.4349116 2.09777645 0.07579337 0.60178998 0.61079445 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17784-12-2 5322 170465286 A F Sulfacytine O=C1N=C(C=CN1CC)NS(=O)(=O)c2ccc(N)cc2 Tox21_113734 -NCGC00357166-01 196712174 tox21-ror-cho-viability-p1 set2 2.4 61.130564862 32.8147767559 -0.8147767559 32 2.5884283767 0.8983934485 0.0003504493 -0.51140318 0.21768547 -3.12927189 0.54899326 -2.53265889 0.17108587 -4.01833142 -0.45853866 -0.61270073 -4.42898063 4.34837875 1.961571 0.19768849 8.22741132 24.0244173 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96-54-8 7304 251919976 F 1-Methylpyrrole Cn1cccc1 Tox21_303918 -NCGC00162359-04 196712585 tox21-ror-cho-viability-p1 set2 4 33.4914596268 13.60170074 -0.10170074 13.5 4.5044702849 0.5934795795 0.1027547692 -1.06095834 -1.7636203 -2.16808395 -0.42230545 -0.16896108 -0.20015167 -1.93042152 1.02971844 -1.09002103 -1.46173672 7.27765638 -1.76931728 2.55600248 1.13282245 11.03553506 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4272-74-6 73093 170466881 A N-alpha-p-Tosyl-L-lysine chloromethyl ketone hydrochloride Cl.Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCN)C(=O)CCl Tox21_111280_1 -NCGC00016643-09 196713001 tox21-ror-cho-viability-p1 set2 4 -0.40424369 -0.04129834 -0.31326599 -4.26569743 5.04293589 -0.95505777 -1.29565201 -2.11777922 -1.29836789 0.00751282 -0.20151975 0.14553153 -1.25894205 -2.09255736 -2.81835412 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3902-71-4 5585 170465339 A Trioxsalen Cc1oc2c(C)c3OC(=O)C=C(C)c3cc2c1 Tox21_110541_1 -NCGC00167499-02 196713002 tox21-ror-cho-viability-p1 set2 4 0.00838807 0.49953598 4.03690782 1.68948911 2.28932342 -6.72530074 -0.25151814 2.87248805 -1.88018648 -0.1741296 -4.0395846 -3.73257405 -2.18326274 1.01063431 -3.9296553 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 93793-83-0 56704 170465941 A Roxatidine acetate hydrochloride Cl.CC(=O)OCC(=O)NCCCOc2cc(CN1CCCCC1)ccc2 Tox21_112500_1 -NCGC00015410-08 196713003 tox21-ror-cho-viability-p1 set2 4 -0.60263366 -0.62931055 -4.78815729 -0.31028906 -1.71881552 -5.27664819 -5.53383596 -5.34974393 -1.94479522 -0.52764542 -1.30222745 -0.77865352 -2.84641804 1.44300875 3.88043637 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 89197-32-0 72016 170466438 A Efaroxan CCC1(Cc2ccccc2O1)C3=NCCN3 Tox21_110139_1 -NCGC00093985-11 196713004 tox21-ror-cho-viability-p1 set2 4 -1.10932946 -1.04053902 -1.51601388 3.18267713 -0.58278484 1.316082 1.2872389 3.88168258 -1.2972926 3.35691693 2.17669225 -1.08754432 2.22776293 3.69297778 1.52723695 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 17560-51-9 4170 170464665 A Metolazone NS(=O)(=O)c1cc2C(=O)N(C(C)Nc2cc1Cl)c3ccccc3C Tox21_110186_1 -NCGC00095152-09 196713006 tox21-ror-cho-viability-p1 set2 4 -5.4815489 -2.42996216 -1.89770678 -7.66922464 -0.18637137 -1.11087856 -3.18274694 -1.50903048 -3.36359425 1.16165642 -1.14918861 -1.88658646 -3.86681617 -3.13982584 -3.89572075 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 81403-68-1 71764 170465022 A Alfuzosin hydrochloride Cl.O=C(NCCCN(C)c2nc1cc(OC)c(OC)cc1c(N)n2)C3CCCO3 Tox21_110701_1 -NCGC00016622-08 196713013 tox21-ror-cho-viability-p1 set2 4 -0.2267429 -0.73432634 -3.22738008 -0.38927243 -4.94257589 -4.78381718 -3.03213247 -0.33864153 -0.41995866 0.52527205 -0.05211156 0.16294323 -2.95219144 1.12117606 3.14032125 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3105-97-3 3634 170466535 A Hycanthone CCN(CC)CCNc1ccc(CO)c2Sc3ccccc3C(=O)c12 Tox21_110531_1 -NCGC00018153-10 196713017 tox21-ror-cho-viability-p1 set2 4 21.1316824289 -24.5094894999 1 -23.5094894999 2.2481167061 0.9614632696 0.0000020096 1.98616369 1.07673976 1.87822982 0.85102914 0.17897087 1.1063589 -0.71494462 -1.43391422 2.49758083 2.64554068 0.98414807 -1.1551243 -1.49459995 -11.09122608 -19.59124125 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 84-17-3 667476 170465362 A Dienestrol Oc1ccc(cc1)C(=C\C)/C(=C/C)c2ccc(O)cc2 Tox21_110378_1 -NCGC00184983-03 196713417 tox21-ror-cho-viability-p1 set2 4 4.26021494 0.03572842 -1.15429847 0.33206409 -0.00951843 1.38536265 0.34433352 2.93355212 -0.01371919 -0.17020938 0.43901409 0.67674982 0.20131965 0.12711812 2.62637651 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1617-90-9 15376 170466430 A Vincamine O=C(OC)[C@@]5(O)C[C@@]4(CCCN3CCc2c1ccccc1n5c2[C@@H]34)CC Tox21_111342_1 -NCGC00015466-11 196713421 tox21-ror-cho-viability-p1 set2 4 -0.57446877 1.66945467 0.44242614 1.60126737 1.77735432 1.99287338 -1.43494871 1.50301033 -0.48810212 1.09369339 3.20701965 -1.09136873 3.31424997 -0.52753208 2.19281832 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 60142-96-3 3446 170464715 A Gabapentin NCC1(CC(=O)O)CCCCC1 Tox21_110157_1 -NCGC00259379-01 196709281 tox21-ror-cho-viability-p1 set2 4 -0.71618269 -2.85416303 -1.40130987 -2.8650838 1.23041404 -2.40292716 -3.76106584 -5.23663254 1.00917785 -2.56750383 -0.15577884 -2.69141575 -0.1432361 0.69160601 -0.28156937 1.163E-9 2.601E-9 5.8149999999E-9 1.2999999999E-8 2.908E-8 6.502E-8 1.454E-7 3.2509999999E-7 7.269E-7 0.000001625 0.0000036349999999 0.000008127 0.00001817 0.00004064 0.00009087 111-14-8 8094 144209028 A A Heptanoic acid CCCCCCC(=O)O Tox21_201830 -NCGC00021575-05 196725839 tox21-ror-cho-viability-p1 set3 4 0.50818614 1.54816819 0.04227529 0.56879786 -0.08428284 -0.68031591 14.46211624 6.7324382 5.07265493 1.38819937 4.73037756 -0.37706236 0.9660151 5.92261194 -0.54273026 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 426-13-1 9878 170464629 A Fluorometholone CC(=O)[C@@]4(O)CC[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3C[C@H](C)C1=CC(=O)C=C[C@@]12C Tox21_110440_1 -NCGC00260454-01 196724597 tox21-ror-cho-viability-p1 set3 4 77.7421153793 -23.607514916 -2 -25.607514916 3.5117481694 0.6548810257 0.0615247505 -1.71294894 4.18281161 1.96288714 -0.01869282 -0.04798162 -5.70477533 -7.574669 -4.22327363 -3.22627202 0.65045679 -1.51185868 -3.37150586 -4.46873953 -4.23779734 -18.00626243 1.19E-9 2.6619999999E-9 5.9519999999E-9 1.331E-8 2.976E-8 6.654E-8 1.4879999999E-7 3.3269999999E-7 7.44E-7 0.0000016639999999 0.00000372 0.0000083179999999 0.0000186 0.00004159 0.000093 2693-46-1 17599 144210106 A A 3-Aminofluoranthene Nc4ccc2c1ccccc1c3cccc4c23 Tox21_202908 -NCGC00274274-01 196725031 tox21-ror-cho-viability-p1 set3 4 0.49046128 0.3175262 2.32166455 0.4207642 -2.36877157 1.78568769 0.92408012 -1.48902768 -3.69579434 -2.52231644 -0.1714999 1.62826536 -4.6331103 -1.90897248 -0.937518 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63-12-7 2342 170465138 A A Benzquinamide CCN(CC)C(=O)C2CN3CCc1cc(OC)c(OC)cc1C3CC2OC(C)=O Tox21_113977 -NCGC00015453-08 196725439 tox21-ror-cho-viability-p1 set3 4 11.8832183006 15.0126031439 -0.0126031439 15 0.4 0.5097618303 0.1707178087 -0.35504364 -2.51050262 5.15900652 -1.98554518 -0.69301126 1.2606007 2.71808669 10.44841706 2.17506495 0.10694802 3.72804286 4.32732488 7.44489387 7.68623363 11.41738473 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 153439-40-8 63002 170464669 A Fexofenadine hydrochloride Cl.O=C(O)C(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4 Tox21_113125_1 -NCGC00025315-02 196725851 tox21-ror-cho-viability-p1 set3 4 0 0 -0.82346528 0.70574888 5.94447082 2.86783588 -12.73030281 4.26000044 -3.32997223 0.2302146 -12.90573811 2.01883876 -1.58243499 0.8669673 2.8520866 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 95847-70-4 56971 170466380 A Ipsapirone O=C4c1ccccc1S(=O)(=O)N4CCCCN2CCN(CC2)c3ncccn3 Tox21_110962_1 -NCGC00262943-01 196725853 tox21-ror-cho-viability-p1 set3 4 6.41796268 11.18237158 7.74389773 0.15856228 3.93269688 7.15265448 4.04356468 5.62023986 10.79377789 9.84558187 -0.12209611 6.12885554 3.85565755 4.54643262 3.58242589 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 5634-42-4 21853 170466061 A I Tocanfil CC1(CCC(C(=O)O)C1(C)C)C(=O)OC(C)c2ccc(C)cc2.OCCNCCO Tox21_113936 -NCGC00178811-03 196725859 tox21-ror-cho-viability-p1 set3 4 3.35831411 0.16472766 -1.31610674 1.84851023 2.983197 -0.30637814 0.77437133 12.01798158 -1.31400788 2.69395094 0.53378007 -1.7970436 -0.90724182 0.35867464 5.6945153 5.899E-11 1.319E-10 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 467-55-0 91453 170466766 F Hecogenin O=C4C[C@@H]1[C@@]6(C)CC[C@H](O)C[C@@H]6CC[C@H]1[C@@H]5C[C@@H]3O[C@]2(CC[C@@H](C)CO2)[C@@H](C)[C@@H]3[C@@]45C Tox21_110443_1 -NCGC00183006-01 196726262 tox21-ror-cho-viability-p1 set3 4 0.016785492 10.691205316 0.308794684 11 3.0654483358 0.4110402166 0.2777931686 2.1360762 4.00238408 -3.07600443 0 0 21.35178644 12.83147649 11.98521549 4.9166707 12.43551171 10.52045174 20.57608779 2.10923067 4.09156273 -3.26051091 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 167820-10-2 10455790 144206814 A A N-[(3R)-1-(2-Fluorophenyl)-4-oxo-3,4,6,7-tetrahydro[1,4]diazepino[6,7,1-hi]indol-3-yl]-1H-indole-2-carboxamide Fc6ccccc6C3=N[C@@H](NC(=O)c1cc2ccccc2n1)C(=O)N5CCc4cccc3c45 Tox21_113263 -NCGC00256748-01 196726695 tox21-ror-cho-viability-p1 set3 4 -6.50074961 -7.22354671 0.46504709 -6.74018584 0.26037818 2.50104823 1.65542076 1.90949943 1.64738422 1.95987838 1.3253536 0.35257621 0.45489565 0.19659559 -2.54099853 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 645-56-7 12580 144212959 A A 4-Propylphenol Oc1ccc(CCC)cc1 Tox21_302642 -NCGC00256632-01 196727093 tox21-ror-cho-viability-p1 set3 -1.1 27.3060203028 -85.6780069312 0.181157427 -85.4968495042 4.5044702849 0.9814974733 3.02E-8 -1.61560322 7.8250651 2.03546337 0.30609725 1.95134576 7.86222862 -0.04761039 -5.38756019 -0.74242743 -4.45031235 -1.79949715 -4.92683295 -11.74777205 -74.13994831 -85.32619711 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3282-73-3 18669 144212925 A A Didodecyldimethylammonium bromide [Br-].C[N+](C)(CCCCCCCCCCCC)CCCCCCCCCCCC Tox21_302608 -NCGC00256446-01 196727099 tox21-ror-cho-viability-p1 set3 4 -5.05423682 -3.67651462 0.25543306 0.62393227 0.03938693 -5.03464361 -0.0721948 3.14432246 1.2287653 0.31244958 2.42116687 0.9207351 1.1864069 0.0323573 0.58635178 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 77-06-5 6466 144213340 A A Gibberellic acid O=C(O)[C@H]3[C@@H]5[C@]1(C)C(=O)O[C@]5(C=C[C@@H]1O)[C@@H]4CC[C@]2(O)C[C@]34CC2=C Tox21_303023 -NCGC00357075-01 196724270 tox21-ror-cho-viability-p1 set3 -2.2 48.5577336745 -50.1995847952 -0.401632644 -50.6012174392 2.7202212143 0.9254588195 0.0000715484 -4.67059999 2.25690055 -2.381173 -3.09646755 2.0840413 -5.69792971 4.14100264 2.16906957 -1.52457914 5.75782838 -0.91259598 -3.88738234 -0.51382167 -20.40804685 -43.25849806 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-25-4 7492 251919650 A 1,4-Dinitrobenzene O=[N+]([O-])c1ccc(cc1)[N+]([O-])=O Tox21_303785 -NCGC00244580-01 196707849 tox21-ror-cho-viability-p1 set1 4 0.0038570779 -24.140295996 3.848786068 -20.291509928 0.4 0.50973856 0.1697756363 -0.12601161 -10.61170708 -14.29014095 -9.19805077 -13.67343144 -9.35506496 -18.64598103 -13.65304085 -24.29174229 -16.98320091 -14.98361335 -17.69976073 -10.41464409 -26.49292494 -23.61876566 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 27176-87-0 29249 144214025 B A Dodecylbenzenesulfonic acid OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC Tox21_400064 -NCGC00256631-01 196707448 tox21-ror-cho-viability-p1 set1 4 -2.21594377 -3.34609187 2.73752688 1.10260904 0.6801026 0.91840079 -1.43189325 1.86065181 -3.68136184 -0.89779477 2.44996749 -0.25673212 -1.68009826 -1.02380108 1.01420542 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 426-13-1 9878 144212910 A A Fluorometholone CC(=O)[C@@]4(O)CC[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3C[C@H](C)C1=CC(=O)C=C[C@@]12C Tox21_302593 -NCGC00256845-01 196707450 tox21-ror-cho-viability-p1 set1 4 0.17909234 -0.4718133 2.63781391 3.35552754 2.62207388 -1.42938441 2.33064159 0.12516987 4.71392059 -1.64393433 -2.82796221 1.29771344 0.56341894 0.98698759 2.65163405 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55719-85-2 5357002 144213003 A F Phenethyl tiglate C\C=C(/C)C(=O)OCCc1ccccc1 Tox21_302686 -NCGC00256697-01 196707455 tox21-ror-cho-viability-p1 set1 4 0.1722893406 -11.2159754799 -4.70461852 -15.9205939999 1.826479391 0.8265214725 0.0043479126 -3.48295197 -3.0871821 -5.40134147 -7.60637393 -3.68180479 -6.36655922 -10.4686464 -11.71585765 -16.62126043 -17.32494833 -16.75029245 -9.94627569 -15.76571036 -14.38702003 -20.350495 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5331-43-1 79242 144213036 A Ac Hydrazinecarboxylic acid, phenylmethyl ester NNC(=O)OCc1ccccc1 Tox21_302719 -NCGC00256700-01 196707873 tox21-ror-cho-viability-p1 set1 4 33.0808971687 16.2097615239 -12.7097615239 3.5 4.9549173134 0.528600854 0.1537167786 -11.94506831 -10.60999344 -4.87265315 -7.45285787 -10.69333776 -11.59491312 -16.37343604 -15.47812496 -10.41329435 -15.16865205 -18.92480127 -18.41696439 -11.14460714 -8.31619479 2.8436059 7.7859999999E-10 1.7409999999E-9 3.893E-9 8.705E-9 1.947E-8 4.353E-8 9.733E-8 2.176E-7 4.8659999999E-7 0.000001088 0.000002433 0.0000054409999999 0.000012169999999 0.000027199999999 0.00006083 85446-17-9 6537506 144212770 D 1,1'-Oxybis(2,3,4,5-tetrabromobenzene) Brc1c(cc(Br)c(Br)c1Br)Oc2cc(Br)c(Br)c(Br)c2Br Tox21_302453 -NCGC00256812-01 196708265 tox21-ror-cho-viability-p1 set1 4 68.5896218971 -12.2570936719 1.5 -10.7570936719 4.9549173134 0.6539487566 0.0630101713 0.7659393 -0.0762233 0.43533415 -1.26422799 2.17072996 1.53437259 5.32495644 0.96742714 0.33762262 -0.53634836 1.01195986 5.09010165 0.36557328 0.94822577 -8.54757806 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21834-92-4 576026 144212775 Z F 5-Methyl-2-phenyl-2-hexenal CC(C)CC=C(C=O)c1ccccc1 Tox21_302458 -NCGC00167529-02 196705384 tox21-ror-cho-viability-p1 set1 4 53.080386368 9.9341557201 0.0658442799 10 0.7999999999 0.4382436557 0.2420611017 0.16688907 -0.02836808 0.354983 -0.28257539 -3.2784631 0.16662728 0.23423551 1.90966783 2.63414327 1.90694171 0.11774562 0.19302897 3.68859384 0.16573122 6.78917684 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122892-31-3 129791 170465974 A Itopride hydrochloride Cl.COc1cc(ccc1OC)C(=O)NCc2ccc(OCCN(C)C)cc2 Tox21_112526_1 -NCGC00018203-06 196704977 tox21-ror-cho-viability-p1 set1 4 4.72827894 1.94176973 -0.14955245 1.34992112 -1.88975655 3.3907061 -5.47032563 0.18438728 4.44155753 1.41646919 1.98732092 -0.34680484 1.41651695 1.75906399 -3.55366118 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 125-51-9 657306 170466552 A Pipenzolate bromide [Br-].O=C(OC1CCC[N+](C)(CC)C1)C(O)(c2ccccc2)c3ccccc3 Tox21_111378_1 -NCGC00091338-06 196704978 tox21-ror-cho-viability-p1 set1 4 0.98493765 -1.12703062 1.05750037 -0.2746962 3.9566704 -0.32455341 -4.8316159 -3.73536588 0.25232548 -0.23764158 -3.11407846 -0.59164909 -1.10901699 -2.31898009 -0.06798802 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-50-7 1732 170466134 Ac 4-Chloro-3-methylphenol Oc1ccc(Cl)c(C)c1 Tox21_111116_1 -NCGC00163774-04 196705378 tox21-ror-cho-viability-p1 set1 4 -0.05218244 1.15030861 -2.56247892 0.23023835 -0.52579836 -4.5028787 0.47268961 0.14631095 0.64988018 -3.28652764 0.50627407 1.86156128 0.12622517 2.73048762 5.01929982 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00173359-04 196705392 tox21-ror-cho-viability-p1 set1 4 -1.4799479 0.95838742 -1.58149844 1.17957272 0.04251867 0.05342823 -1.41020893 0.5566333 -0.49389956 -1.36852464 -0.02756039 -1.14370431 0.18561284 -0.39192745 0.89542234 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 522-97-4 34458 170466799 A Canadine COc1c(OC)ccc2CC3N(Cc12)CCc4cc5OCOc5cc34 Tox21_110451_1 -NCGC00090750-04 196705395 tox21-ror-cho-viability-p1 set1 4 -6.25847073 -2.6620561 -0.14570152 -3.93362137 -3.1729306 -2.14555901 -2.9880138 -0.53926111 -4.15003417 -0.14786919 -5.44743531 -0.49576147 -0.21470154 -4.09721849 -6.72112938 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 80-07-9 6625 144213969 A A 4,4'-Dichlorodiphenyl sulfone O=S(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Tox21_400008 -NCGC00256794-01 196718578 tox21-ror-cho-viability-p1 set2 4 1.74013137 -0.65393995 1.53824655 2.31630598 0.86842294 1.93417547 0.15231623 3.73189745 4.68902587 2.36032134 1.9507514 0.72848296 -0.43043369 0.11557942 2.13999528 1.103E-9 2.466E-9 5.515E-9 1.233E-8 2.758E-8 6.166E-8 1.3789999999E-7 3.083E-7 6.894E-7 0.000001542 0.0000034469999999 0.000007708 0.000017239999999 0.00003854 0.00008618 25339-09-7 91410 144213943 Fns Isocetyl stearate CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC(C)C Tox21_303638 -NCGC00092299-02 196717749 tox21-ror-cho-viability-p1 set2 4 26.6032120037 12.5019307279 -3.5019307279 9 1.59358881 0.4618872978 0.2147338729 -5.05717076 -4.47761344 -7.91357312 -0.09441631 -0.52942473 -11.25160894 -1.95255157 -1.97163702 -1.40854101 -2.42361041 -2.27721045 -1.99801504 -1.53329181 0.93601638 6.13274189 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 76541-72-5 60910 170466373 A Mifobate Clc1ccc(cc1)C(OP(=O)(OC)OC)P(=O)(OC)OC Tox21_111190_1 -NCGC00255187-01 196718156 tox21-ror-cho-viability-p1 set2 4 0.0306378587 6.3467454999 -0.3467454999 6 1.4641 0.4606124224 0.2331569965 0.48475171 0.73933791 -1.95562125 2.13928426 0.93935864 8.39028482 1.96457467 6.50894632 3.44999847 3.85157366 11.88012148 8.21620433 2.22504654 6.40892767 -1.79697919 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68-22-4 6230 144212744 A A Norethindrone O=C4CC[C@H]3C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@@]1(O)C#C)=C4 Tox21_302427 -NCGC00256761-01 196718562 tox21-ror-cho-viability-p1 set2 4 -1.2984374 -0.38869031 0.57353278 4.33533356 -1.18156397 4.19025685 1.44128874 5.32773141 0.73460368 1.15712908 2.94028012 3.35669857 3.64824333 3.08029024 0.36419282 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1577-03-3 5388510 144212842 A A 1-(4-Chlorophenyl)-4,4-dimethylpent-1-en-3-one Clc1ccc(/C=C/C(=O)C(C)(C)C)cc1 Tox21_302525 -NCGC00256655-01 196718980 tox21-ror-cho-viability-p1 set2 4 1.5355303643 4.7704145559 -5.2704145559 -0.5 2.4063783767 0.3124749111 0.3575335917 -9.79523641 -2.56593719 -1.35820753 -1.98202278 -1.57997475 -11.89201213 -3.09193016 -10.51301651 -2.35760506 -3.09818912 -1.39527523 0.52300786 0.46049024 -1.64506232 -0.25840798 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 162881-26-7 164512 144213007 F Ac (Phenylphosphoryl)bis[(2,4,6-trimethylphenyl)methanone] O=P(C(=O)c1c(C)cc(C)cc1C)(C(=O)c2c(C)cc(C)cc2C)c3ccccc3 Tox21_302690 -NCGC00257459-01 196718173 tox21-ror-cho-viability-p1 set2 4 14.1977552057 -8.669466896 1.5 -7.169466896 3.5117481694 0.7301360254 0.0265026015 0.41558514 -0.27714382 -0.0035347 1.42028499 0.93186972 2.91515412 0.43833242 2.9981174 3.16935398 0.16078876 5.5814927 -0.10200387 -0.16311389 -8.05788908 -5.58566733 6.842E-10 1.5299999999E-9 3.4209999999E-9 7.6499999999E-9 1.711E-8 3.8249999999E-8 8.5529999999E-8 1.913E-7 4.277E-7 9.563E-7 0.0000021379999999 0.000004781 0.00001069 0.00002391 0.00005346 90357-06-5 56069 144213865 A A Bicalutamide Fc1ccc(cc1)S(=O)(=O)C[C@](C)(O)C(=O)Nc2cc(c(C#N)cc2)C(F)(F)F Tox21_303560 -NCGC00253601-01 196717761 tox21-ror-cho-viability-p1 set2 4 13.3331902297 -30.4089177599 3.5 -26.9089177599 0.8999999999 0.8590190459 0.0016963645 0.85994513 5.21006885 3.20057535 -0.75577461 4.83466457 0.94046812 9.17498485 7.48241284 -0.18766895 -0.92329275 -2.7201731 -5.27153088 -5.50751583 -16.22881964 -19.0907648 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1322-14-1 72187524 170465553 Fc A Calcium undecylenate [Ca+2].[O-]C(=O)\C=C\CCCCCCCC.[O-]C(=O)\C=C\CCCCCCCC Tox21_113736 -NCGC00253762-01 196717762 tox21-ror-cho-viability-p1 set2 2.4 0.0530803864 29.1039334239 -18.1039334239 11 0.2 0.7911680251 0.0095759169 -7.58145707 -13.41994452 -8.60251174 -3.92147746 -2.42071484 -5.9992976 -4.89090156 -2.06459766 1.25978985 1.5530813 0.91287103 1.82091264 2.54376163 0.06658824 8.77278288 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 39512-50-0 415628 170466723 A A 1-(2-Chlorophenyl)piperazine Clc1ccccc1N2CCNCC2 Tox21_113875 -NCGC00016804-02 196717770 tox21-ror-cho-viability-p1 set2 4 29.8492948118 -13.1724658279 -1 -14.1724658279 1.6604358099 0.6001342781 0.0982925982 1.88106787 -4.13076053 -2.84611279 -3.48217318 0.35388223 -1.84286969 2.95839605 -2.81351017 0.80430873 -0.31741611 -0.11765444 -0.87136505 -4.68008296 -3.98805803 -10.56038819 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 30544-47-9 35375 170466266 A Etofenamate FC(F)(F)c1cc(ccc1)Nc2ccccc2C(=O)OCCOCCO Tox21_110618_1 -NCGC00090708-05 196718185 tox21-ror-cho-viability-p1 set2 -1.2 12.1971512362 -34.779797548 1.5 -33.279797548 2.7202212143 0.9318104142 0.0000954186 -0.51792558 -0.44291675 0.36537346 0.22032511 2.88319562 4.34541605 1.61981904 3.85216368 1.65757388 0.00525101 0.01526326 -0.62559486 -30.64983129 -29.45420642 -18.37928643 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00257332-01 196718196 tox21-ror-cho-viability-p1 set2 -3 40.3212779718 -71.509549053 -1.550771143 -73.060320196 4.9549173134 0.9834392376 1.59E-8 -3.46746227 -4.8509182 1.44934196 -1.12541308 -4.67538946 -0.00511801 1.7074446 -4.13961439 -3.11410078 -0.3648766 -1.03138281 -0.65298387 -2.63801973 -8.35119044 -63.80026683 7.579E-10 1.6949999999E-9 3.789E-9 8.473E-9 1.895E-8 4.2369999999E-8 9.4729999999E-8 2.1179999999E-7 4.737E-7 0.000001059 0.0000023679999999 0.000005296 0.00001184 0.00002648 0.00005921 68392-35-8 63062 144213959 I I 4-Hydroxytamoxifen Oc1ccc(cc1)C(c2ccc(OCCN(C)C)cc2)=C(CC)c3ccccc3 Tox21_303657 -NCGC00254960-01 196714667 tox21-ror-cho-viability-p1 set2 -1.1 19.1347606475 -118.4555776526 1.0242255807 -117.4313520719 1.2221 0.9453711667 0.000013605 -0.67929402 -2.30945143 0.57236263 -1.15280784 -0.3325434 1.4777968 -0.64407927 -0.80424451 4.56309802 3.44512176 -13.21452028 -45.2664994 -37.13600419 -97.73799554 -97.85946006 1.1699999999E-9 2.617E-9 5.851E-9 1.3079999999E-8 2.926E-8 6.542E-8 1.463E-7 3.271E-7 7.314E-7 0.0000016359999999 0.000003657 0.000008178 0.00001829 0.000040889999999 0.00009143 6317-18-6 22772 144211375 A Methylene bis(thiocyanate) N#CSCSC#N Tox21_301058 -NCGC00183026-01 196713845 tox21-ror-cho-viability-p1 set2 4 26.6032120037 9.9812110039 -0.9812110039 9 2.2481167061 0.720812967 0.0305604154 0.67393989 -0.2768526 -2.34081104 0.14247045 -0.22852248 -0.04294748 -2.15374913 -2.78271133 -0.18280653 -0.23339925 -4.15100917 0.1801353 -0.08577413 2.60853108 6.75503805 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 616-96-6 3035267 144206821 A A Dicethiamine hydrochloride Cl.Nc1nc(C)ncc1CN(C=O)C(/C)=C(/CCOC(=O)OCC)SC(=O)OCC Tox21_113270 -NCGC00254746-01 196714261 tox21-ror-cho-viability-p1 set2 4 2.46893055 -1.03515473 -1.36242854 2.19293656 -1.34180019 -1.04584708 1.64971709 2.84693381 -0.33649041 -0.25459053 -0.345725 2.84050112 5.3414022 2.33046199 6.46464318 1.7139999999E-9 3.8329999999E-9 8.571E-9 1.9159999999E-8 4.2849999999E-8 9.582E-8 2.1429999999E-7 4.791E-7 0.000001071 0.0000023959999999 0.000005357 0.00001198 0.00002678 0.00005989 0.0001339 10326-41-7 61503 144211160 D D-Lactic acid O=C(O)[C@@H](C)O Tox21_300843 -NCGC00015060-14 196714665 tox21-ror-cho-viability-p1 set2 4 12.0856016112 8.278467148 -4.778467148 3.5 1.6266150999 0.4375069216 0.2373879351 -5.37612865 -5.47205035 -2.42138643 -1.24715331 -12.31538929 -6.14300074 -1.88339854 -5.95150285 -2.71277822 0.93949602 -7.57416376 -2.69467122 2.30749169 2.63897931 2.30462535 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00163771-03 196714668 tox21-ror-cho-viability-p1 set2 4 0.93331701 0.93215486 0.40129871 0.90291295 0.35055207 -0.03097431 1.11854745 0.73428053 0.11694648 0.36799388 1.80288149 1.97271248 3.54665887 -0.519549 2.33017676 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 111-77-3 8134 144213970 A A Diethylene glycol monomethyl ether OCCOCCOC Tox21_400009 -NCGC00255461-01 196710966 tox21-ror-cho-viability-p1 set2 4 -5.51400389 -0.66922508 -1.85483057 -2.40474962 1.27166927 -1.21360566 -6.16134649 1.68650603 -0.45659884 0.85160546 0.4493421 -1.81649107 -1.37927143 0.40506355 -0.66263296 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 76674-21-0 91727 144211655 A A Flutriafol OC(Cn1cncn1)(c2ccccc2F)c3ccc(F)cc3 Tox21_301338 -NCGC00163735-04 196710950 tox21-ror-cho-viability-p1 set2 4 28.9524664949 -13.1689539239 -0.5 -13.6689539239 0.7 0.755105528 0.018351464 -1.35019469 2.56852371 -0.72496513 -0.41835002 -1.69617858 -2.98322799 0.6598828 -3.20935338 -0.84941468 0.01764889 -6.02454113 -2.73255904 -6.43908098 -7.8433393 -9.72412827 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00255263-01 196710952 tox21-ror-cho-viability-p1 set2 4 1.28991641 1.86498115 0.97009827 1.72734863 -0.95916849 2.3990684 0.39925989 -1.1227491 2.44075165 2.48202681 1.65956887 0.76243207 0.98833898 -0.16030849 3.84172979 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1559-34-8 73791 144211659 A A 3,6,9,12-Tetraoxahexadecan-1-ol OCCOCCOCCOCCOCCCC Tox21_301342 -NCGC00255582-01 196710962 tox21-ror-cho-viability-p1 set2 4 1.39851303 -2.17637805 -0.8569083 0.68763188 -0.48397584 0.05559945 3.69628337 -1.60703318 1.58536273 -1.47184658 3.71578233 2.88963361 3.42180341 4.31932243 -2.50334408 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-45-8 8187 144212610 F Ac Undec-10-enal C=CCCCCCCCCC=O Tox21_302293 -NCGC00256141-01 196710967 tox21-ror-cho-viability-p1 set2 4 -0.38249361 1.19827064 -0.51470753 -0.79677199 -0.08493392 -5.33815615 1.09564493 0.73080563 1.08294636 1.29040997 1.82865901 -0.08460337 1.02739466 0.06978849 -0.40481661 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 7360-53-4 16700308 144212563 Ac Aluminum triformate O=CO[Al](OC=O)OC=O Tox21_302246 -NCGC00260644-01 196711361 tox21-ror-cho-viability-p1 set2 2.4 23.7101376556 24.764744536 -2.764744536 22 4.9549173134 0.7985303 0.0082200664 0.07283973 -2.33513879 -3.24754338 -1.48620106 -2.72469741 -3.76890542 -3.02767786 -4.59470587 -2.80322046 0.05771428 1.13331066 0.04596142 -12.30395378 4.89264924 21.23854284 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49540 144210297 M M NTP Mix85 ER AR1 18-EQC Tox21_203099 -NCGC00260478-01 196711362 tox21-ror-cho-viability-p1 set2 4 2.7361567381 -21.3170128439 5.5 -15.8170128439 1.92824246 0.9514962356 0.000007138 4.96005546 4.29289993 5.06947316 4.43146192 4.91069868 7.77939357 4.91750779 8.73508837 1.84154677 -1.28563932 -7.41511541 -13.45570797 -20.26417737 -12.70298639 -15.00586288 1.182E-9 2.644E-9 5.9109999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.305E-7 7.3889999999E-7 0.0000016519999999 0.0000036949999999 0.000008261 0.000018469999999 0.00004131 0.000092359999999 16423-68-0 27872 144210130 F FD&C Red 3 [Na+].[Na+].[O-]C(=O)c4ccccc4C=2c3cc(I)c([O-])c(I)c3OC=1C=2C=C(I)C(=O)C=1I Tox21_202932 -NCGC00016602-04 196725525 tox21-ror-cho-viability-p1 set3 4 0.26603212 5.911666412 -4.411666412 1.5 4.9549173134 0.3207127668 0.3487493569 0 -6.46756141 1.97610406 -7.30194995 -6.97911197 3.67364737 -9.50972201 -9.19537888 3.78324025 -1.23196467 0.80577972 2.99635575 2.90710712 -0.00406397 0.24251494 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 2062-84-2 16363 170466409 B Benperidol Fc1ccc(cc1)C(=O)CCCN2CCC(CC2)N3c4ccccc4NC3=O Tox21_110517_1 -NCGC00091080-03 196727933 tox21-ror-cho-viability-p1 set3 4 57.4813203299 -16.1613066279 2.5 -13.6613066279 2.9522712143 0.3205446984 0.348265929 -7.2109991 -1.67752383 8.1315221 7.76389165 0.47956046 9.979774 2.01273295 8.31161566 -2.2631952 0.16644571 -0.96804368 7.75197495 0.35533446 -1.21816644 -10.13442219 1.121E-9 2.506E-9 5.6039999999E-9 1.2529999999E-8 2.802E-8 6.265E-8 1.401E-7 3.133E-7 7.005E-7 0.000001566 0.0000035019999999 0.000007831 0.00001751 0.00003916 0.00008756 140-56-7 23668198 144213963 A A Fenaminosulf [Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1 Tox21_400002 -NCGC00255486-01 196728345 tox21-ror-cho-viability-p1 set3 4 -1.67893745 4.62767026 1.50069638 -0.73307505 2.91726898 -0.57628719 3.05316281 -1.31589303 2.17931769 -3.30765201 1.95226286 -2.7126646 -1.25572327 -1.91021167 1.77197102 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 5080-50-2 6917959 144212657 A Ac Acetyl-L-carnitine hydrochloride Cl.O=C(C)O[C@H](CC([O-])=O)C[N+](C)(C)C Tox21_302340 -NCGC00249934-01 196725512 tox21-ror-cho-viability-p1 set3 4 -11.56300358 -1.48699967 -6.0424627 -6.52640745 -2.56492041 -7.21725961 -5.07538346 -0.09765685 -1.39753812 -2.74043767 -6.30262559 -6.55406204 -0.64692489 -2.17826378 -11.25858901 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50838-36-3 5506 170465866 A F Tolciclate Cc1cc(ccc1)N(C)C(=S)Oc2ccc4c(c2)C3CCC4C3 Tox21_113710 -NCGC00016366-04 196725516 tox21-ror-cho-viability-p1 set3 4 0.04609413 2.1456183 2.36118515 -0.1252315 4.85211732 6.60060347 3.29937868 15.4170413 10.54793452 9.94497239 6.24510345 9.62299159 -3.0176957 2.04209245 -0.73079833 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 115-46-8 15723 170466593 A Azacyclonol OC(c1ccccc1)(C2CCNCC2)c3ccccc3 Tox21_110399_1 -NCGC00015196-09 196725523 tox21-ror-cho-viability-p1 set3 3 33.4914596268 67.9686770568 -5.0135978844 62.9550791724 4.9549173134 0.9433488444 0.0000165864 -4.01547573 -12.36994708 -0.0478845 -0.7282818 -1.4657682 -3.65603621 -2.24161967 -7.80534511 -7.75407154 -11.74990917 -3.09085184 -4.82040216 -3.66539181 0.89008492 54.23682515 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59939-16-1 2765 170466314 A Cirazoline O(CC1=NCCN1)c2ccccc2C3CC3 Tox21_110095_1 -NCGC00183854-01 196725917 tox21-ror-cho-viability-p1 set3 4 0 -0.61081976 3.14513842 7.03640698 -12.77833516 4.68152897 -12.45634085 -13.13057056 2.08923174 6.45905867 -14.38796171 6.37329985 4.93581473 1.47731888 -3.19406521 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33765-68-3 443947 144206842 A A Oxendolone CC[C@H]2C[C@H]3[C@@H]4CCC1=CC(=O)CC[C@@H]1[C@H]4CC[C@]3(C)[C@H]2O Tox21_113291 -NCGC00091532-04 196725925 tox21-ror-cho-viability-p1 set3 -2.2 55.1482208978 -75.2110691232 -3.049833918 -78.2609030412 1.4641 0.9497047992 0.000008683 1.20977627 -5.52016386 -0.73596008 -1.38815384 -2.25305872 1.038662 -0.36779564 -0.66745883 -9.92388394 -8.96493331 -7.23522223 -8.07767496 -13.51001195 -31.02278673 -59.28856291 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 120-32-1 8425 144214007 A A Clorophene Oc2ccc(Cl)cc2Cc1ccccc1 Tox21_400046 -NCGC00160670-03 196725928 tox21-ror-cho-viability-p1 set3 4 0.0530803864 -16.843113224 8 -8.843113224 0.2 0.5908612611 0.1047603742 5.14237586 1.36445896 5.65734084 -1.17770338 -1.86157049 -0.19052681 -3.84607151 -2.58579697 -1.97088382 -0.17802839 0.26498494 -0.91394379 -5.5782432 -5.88394738 -7.36926102 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 15574-49-9 616236 170466217 A Mecarbinate O=C(OCC)c2c1cc(O)ccc1n(C)c2C Tox21_111974_1 -NCGC00159419-04 196725938 tox21-ror-cho-viability-p1 set3 4 0.01536584 0.75964556 3.49376847 3.8740193 2.91338754 1.72072668 6.02679864 12.28048567 13.3583782 -1.33860547 11.71704566 5.04119617 -2.94516367 -3.02564559 3.81003754 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-44-3 2294 170465829 A Barbital O=C1NC(=O)NC(=O)C1(CC)CC Tox21_111650_1 -NCGC00091483-03 196725939 tox21-ror-cho-viability-p1 set3 -2.4 34.3762428541 -24.9141273119 -3 -27.9141273119 2.3331733767 0.7362271697 0.0238743505 -6.42135375 -7.31566817 -1.81135712 -2.8822265 -9.2675455 5.25860303 3.89152852 -8.84157957 -2.02901325 -2.69955549 -4.46872058 -1.09533128 -8.83730577 -15.8208567 -28.26177276 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00162247-06 196726341 tox21-ror-cho-viability-p1 set3 4 0.084126743 8.311586264 -7.311586264 1 4.9549173134 0.583212808 0.1096583825 -8.50089276 -10.25965522 -6.92773871 -6.7992823 -2.41178605 -8.25831309 -4.41248363 1.90258152 3.67712764 -0.36534306 -9.1029794 3.22749171 3.09315586 1.98008481 2.26225842 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 152-02-3 5359371 170465778 A Levallorphan Oc3ccc4C[C@H]1N(CC[C@@]2(CCCC[C@@H]12)c4c3)CC=C Tox21_112005_1 -NCGC00259913-01 196709527 tox21-ror-cho-viability-p1 set2 4 5.28108664 1.92114557 7.24819187 5.474837 1.77766013 -1.87567072 2.12334735 5.18715638 2.55819229 1.12472006 4.64034548 2.86922389 4.44712953 2.04427298 -0.68882243 1.181E-9 2.641E-9 5.9059999999E-9 1.3209999999E-8 2.953E-8 6.603E-8 1.476E-7 3.3009999999E-7 7.382E-7 0.000001651 0.0000036909999999 0.000008253 0.00001846 0.00004127 0.000092279999999 104-15-4 6101 144209562 A A 4-Methylbenzenesulfonic acid Cc1ccc(cc1)S(O)(=O)=O Tox21_202364 -NCGC00066947-05 196709531 tox21-ror-cho-viability-p1 set2 4 -1.68335808 0.98485791 2.10353538 1.46232833 -1.4432442 -3.23799266 -0.78057121 -1.43256683 -1.8349213 2.18814036 -0.94919222 -3.26445274 -2.80051794 -2.17611695 -1.20951182 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00259329-01 196706651 tox21-ror-cho-viability-p1 set1 4 9.66981171 6.64012489 0.40876724 2.70543202 6.30842798 0.78643216 3.24382248 3.52487446 4.76662303 17.26418389 3.57082005 5.27559237 3.8636899 3.50205816 6.44622711 1.1759999999E-9 2.63E-9 5.8799999999E-9 1.315E-8 2.94E-8 6.574E-8 1.4699999999E-7 3.2869999999E-7 7.35E-7 0.0000016439999999 0.0000036749999999 0.000008218 0.000018379999999 0.00004109 0.00009188 124-68-5 11807 144208978 A A 2-Amino-2-methylpropan-1-ol CC(C)(N)CO Tox21_201780 -NCGC00168342-02 196706638 tox21-ror-cho-viability-p1 set1 4 -2.35098715 5.35215987 -2.09680874 3.09415532 -2.40951503 0.05874733 0.21176404 3.45392822 0.45319322 0.43883341 0.5711776 -3.13361698 -2.74045563 0.85457473 -3.43453991 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00163735-04 196706641 tox21-ror-cho-viability-p1 set1 4 -6.82926201 -6.50310911 -4.76694481 -9.55567931 1.08868956 -17.19973018 -4.22202743 0.62953716 -3.28390443 -0.876801 -2.24304238 -2.96044518 -10.83359139 -5.03905749 -0.16287075 1.239E-9 2.7699999999E-9 6.194E-9 1.3849999999E-8 3.097E-8 6.925E-8 1.5479999999E-7 3.462E-7 7.7419999999E-7 0.000001731 0.000003871 0.000008656 0.00001935 0.00004328 0.00009677 188425-85-6 213013 144214006 A A Boscalid O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl Tox21_400045 -NCGC00259795-01 196706646 tox21-ror-cho-viability-p1 set1 4 -4.64781246 1.12166998 3.48749816 -0.95467172 0.07859133 -2.22200106 -0.80885709 1.96815958 0.08034167 -9.19497475 -1.33475814 -0.06821886 -2.77806598 -2.53956763 0.33343746 1.2069999999E-9 2.7E-9 6.037E-9 1.3499999999E-8 3.019E-8 6.75E-8 1.509E-7 3.375E-7 7.547E-7 0.000001687 0.000003773 0.0000084369999999 0.00001887 0.000042189999999 0.00009433 60-51-5 3082 144209444 A C Dimethoate COP(=S)(OC)SCC(=O)NC Tox21_202246 -NCGC00257165-01 196707063 tox21-ror-cho-viability-p1 set1 4 4.19405045 0.34744784 -2.37368564 -2.29198254 3.75272855 2.03533891 5.08887053 -1.68599024 7.30092565 3.83333188 0.48328078 5.34954829 3.69915371 4.46023777 -1.11849769 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 92-48-8 7092 144213497 A A 6-Methyl coumarin Cc1ccc2OC(=O)C=Cc2c1 Tox21_303180 -NCGC00256931-01 196707466 tox21-ror-cho-viability-p1 set1 4 -2.08429894 -0.3799105 -2.95500231 -2.20056741 -2.27344479 -0.2935753 1.05091579 -0.82336751 -4.61371432 2.42009131 1.91069258 1.3843183 1.40961583 -2.35745421 -0.81951924 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-52-2 7391 144213407 A A 4-tert-Butylcyclohexanol CC(C)(C)C1CCC(O)CC1 Tox21_303090 -NCGC00256958-01 196707471 tox21-ror-cho-viability-p1 set1 4 4.03293751 -2.68446663 -4.6848794 -2.29407151 -4.44502524 1.2552559 -1.33026792 1.97161357 3.73119195 4.35612334 2.94263818 -2.70179447 -2.34912189 4.7437283 3.34693341 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-42-9 7932 144213516 A A 3-Chloroaniline Nc1cc(Cl)ccc1 Tox21_303199 -NCGC00256414-01 196707475 tox21-ror-cho-viability-p1 set1 4 61.130564862 18.4326189999 -14.4326189999 4 4.5044702849 0.4911972894 0.1865634632 -2.67003239 -16.65694379 -14.86429467 -19.42625997 -14.39751429 -8.0372891 -14.82798232 -15.80908538 -15.25170392 -19.5271825 -16.37962506 -15.58600467 -14.74737779 -11.50765844 1.29696603 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-20-2 2727 144213106 A A Chlorpropamide O=S(=O)(NC(=O)NCCC)c1ccc(Cl)cc1 Tox21_302789 -NCGC00257457-01 196707481 tox21-ror-cho-viability-p1 set1 4 0.68104906 -1.63692185 1.61882184 2.51108824 0.18106132 1.48400147 6.76074119 7.1430011 0.53501869 0.68118201 3.06147227 5.05348034 -1.39345382 -1.43136506 6.47642416 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-62-6 5363269 144213828 A Fns Ethyl oleate O=C(CCCCCCC/C=C\CCCCCCCC)OCC Tox21_303521 -NCGC00256494-01 196707875 tox21-ror-cho-viability-p1 set1 4 2.90218463 -1.69106424 1.02050655 0.30225844 0.32462068 3.51180234 4.26759851 5.6613508 2.38091448 1.27442501 3.70788033 -0.6485497 2.52417068 0.47225666 5.83168693 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.7059999999E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.000043079999999 0.000096319999999 107-41-5 7870 144213135 A A 2-Methyl-2,4-pentanediol CC(O)CC(C)(C)O Tox21_302818 -NCGC00257382-01 196707882 tox21-ror-cho-viability-p1 set1 4 44.6614224113 -15.561646684 1.5 -14.061646684 3.9899729863 0.7960903145 0.0087501022 0.72670432 -0.45334576 -0.35369485 0.36117239 1.25389676 2.30562767 5.01145868 1.28899419 2.69263701 -1.16483962 2.26203799 5.35434828 1.63599121 -1.66879109 -12.13470557 9.0839999999E-10 2.0309999999E-9 4.5419999999E-9 1.016E-8 2.271E-8 5.0779999999E-8 1.136E-7 2.539E-7 5.678E-7 0.00000127 0.000002839 0.0000063479999999 0.00001419 0.00003174 0.000070969999999 52806-53-8 91649 144213961 A A Hydroxyflutamide O=C(Nc1cc(c(cc1)[N+]([O-])=O)C(F)(F)F)C(C)(C)O Tox21_303659 -NCGC00256705-01 196708294 tox21-ror-cho-viability-p1 set1 4 -8.38035113 -8.42987319 -12.3340352 -15.0777685 -11.60340668 -6.75280323 -12.85167695 -15.1096102 -13.53014389 -12.76402154 -10.71527039 -19.2847919 -6.80228351 -9.3427752 -11.21095919 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13019-22-2 25612 144212854 A A 9-Decen-1-ol C=CCCCCCCCCO Tox21_302537 -NCGC00256318-01 196719466 tox21-ror-cho-viability-p1 set2 4 -0.20740174 2.55911581 -0.05119368 1.9093616 1.53609356 4.4892191 0.86065027 6.28430362 4.15170302 1.77816709 8.49271911 1.27485709 -0.65899534 0.77550153 0.86199863 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 680-31-9 12679 144213102 A A Hexamethylphosphoramide CN(C)P(=O)(N(C)C)N(C)C Tox21_302785 -NCGC00254733-01 196719870 tox21-ror-cho-viability-p1 set3 4 0.968854161 12.35551114 -2.85551114 9.5 3.5117481694 0.3879081092 0.2829362327 -5.66968523 -8.9784638 12.03446508 -9.46292595 -7.45743148 0.52905383 0 -3.473899 -2.03990451 11.11887611 15.56107319 -8.00047159 12.72615885 19.64453305 6.43349694 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 21662-09-9 5362620 144211146 A Ac (4Z)-4-Decenal CCCCC\C=C/CCC=O Tox21_300829 -NCGC00256843-01 196719028 tox21-ror-cho-viability-p1 set2 4 61.130564862 -12.510856636 2.5 -10.010856636 2.9022712143 0.5176965129 0.1644765417 0.27377703 -0.75231503 0.65377899 3.14869964 0.38925109 3.12696107 0.05418221 4.61717467 6.55539695 3.0073205 8.27586247 4.1035936 1.47901161 -0.25141378 -7.09238053 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 5026-74-4 62558 144212963 A B 4-(Diglycidylamino)phenyl glycidyl ether c2cc(OCC1CO1)ccc2N(CC3CO3)CC4CO4 Tox21_302646 -NCGC00256842-01 196719457 tox21-ror-cho-viability-p1 set2 4 0.0611305649 5.3774651521 0.6225348479 6 1.0999999999 0.449777575 0.2273653915 0.10779196 0.87338889 -0.73122096 5.55284275 0.19178229 3.77754854 1.47190767 9.3189887 5.77091555 4.79041419 9.73385936 5.55352366 5.52998501 3.6715531 3.48054408 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13466-78-9 26049 144212949 Fns 3-Carene CC2(C)C1CC=C(C)CC12 Tox21_302632 -NCGC00254171-01 196720278 tox21-ror-cho-viability-p1 set3 4 5.58917553 13.02847591 4.83190263 6.56619652 11.27364613 -5.12293506 -5.4456986 2.36015158 10.8561972 -1.91766415 7.65345633 5.69869687 1.5952064 0.10807742 -5.21483096 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 139149-55-6 153939 144210537 A B SB202235 NC(=O)N(O)[C@@H]2COc1cc(ccc12)OCc3ccccc3 Tox21_300217 -NCGC00163774-04 196720279 tox21-ror-cho-viability-p1 set3 4 6.93440845 -0.23714866 8.27323985 4.40130684 13.85762156 2.93179717 2.9796394 5.17550767 -1.48600716 9.89011447 6.07176496 2.71020199 6.5879945 0.32614079 0.7182158 1.2149999999E-9 2.7169999999E-9 6.0759999999E-9 1.359E-8 3.038E-8 6.793E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00254027-01 196720282 tox21-ror-cho-viability-p1 set3 4 0.3437624285 13.962397744 -9.462397744 4.5 0.3 0.7077135051 0.0351954582 -4.24632158 -9.08828111 -9.55199812 -4.30082194 -3.75983856 -4.52058355 -4.19911215 0.11880112 -1.41774352 -0.95505232 -1.74088278 1.0969917 1.0582469 -1.65410319 5.45796149 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 51-30-9 5807 144210628 A A Isoproterenol hydrochloride Cl.Oc1ccc(cc1O)C(O)CNC(C)C Tox21_300308 -NCGC00254439-01 196720297 tox21-ror-cho-viability-p1 set3 4 -3.38712412 -4.73292529 3.21146579 14.56058571 10.39965791 13.22052038 -3.39876071 14.17485897 -3.21380216 12.65441854 3.4175256 -4.97319273 15.95148332 5.7640984 2.08485881 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 177785-47-6 462368 144210746 A A PharmaGSID_47261 O=C(O)[C@@H](N2Sc1ccccc1C2=O)[C@@H](C)CC Tox21_300428 -NCGC00254559-01 196720298 tox21-ror-cho-viability-p1 set3 4 -11.84496396 -21.38573938 -8.38098538 -7.91136319 -11.84850492 -11.4825577 -5.94211983 -8.95973945 -4.89576153 -3.07011117 -2.69130615 -10.61305084 -11.72295716 -24.53151173 -14.94333333 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.000008239 0.00001842 0.0000412 0.00009212 51707-55-2 40087 144210968 A A Thidiazuron O=C(Nc1ccccc1)Nc2cnns2 Tox21_300651 -NCGC00254998-01 196720699 tox21-ror-cho-viability-p1 set3 4 0.0015355304 12.512884496 -10.012884496 2.5 4.9549173134 0.4434390422 0.2321145254 -7.51073708 1.67760419 -0.71310697 -0.46437228 5.24005004 8.56188325 7.83601233 -0.67634145 2.178872 -0.47608173 2.76998295 2.43611965 4.11545132 1.45281195 0.49483489 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 141-22-0 643684 144211415 A A (9Z,12R)-12-Hydroxyoctadec-9-enoic acid CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)O Tox21_301098 -NCGC00090708-05 196720704 tox21-ror-cho-viability-p1 set3 -1.1 7.6958821542 -57.6770076965 -4.946233832 -62.6232415285 3.5117481694 0.9658520628 0.0000010092 -12.05486403 -14.3117679 -4.60921372 -1.29169352 -7.93332527 -6.23011372 -0.56402349 -1.10593253 -4.32040959 -2.91283846 -4.52731747 -36.9871983 -59.98373487 -68.25807993 -57.81187551 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 148-24-3 1923 144213967 A A 8-Hydroxyquinoline Oc1cccc2cccnc12 Tox21_400006 -NCGC00254584-01 196720711 tox21-ror-cho-viability-p1 set3 4 0.273060203 18.13971916 -16.13971916 2 0.3 0.8395018699 0.0030939698 -12.06822271 -16.7830993 -8.60392205 -9.29404564 -11.11372942 -10.47872973 -6.23094401 -8.14077844 -4.15354222 -4.76610255 -3.67513678 -4.28044268 -3.24352374 0.54762248 0.3389991 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-10-0 7542 144210993 Ac Fc Cloprop Clc1cc(OC(C)C(=O)O)ccc1 Tox21_300676 -NCGC00258367-01 196716539 tox21-ror-cho-viability-p1 set2 4 0.84637361 7.599759 1.23882999 1.78238931 2.25574656 2.4115571 0.75696594 2.20151872 7.45833828 0.79818839 7.45821854 9.22513832 2.59809414 9.36923906 1.13783583 1.179E-9 2.637E-9 5.896E-9 1.318E-8 2.9479999999E-8 6.592E-8 1.474E-7 3.296E-7 7.37E-7 0.000001648 0.000003685 0.0000082399999999 0.000018429999999 0.0000412 0.000092129999999 68915-31-1 24451 144208011 Sodium polyphosphate [Na+].[Na+].[O-]P(=O)(O)OP([O-])(=O)O Tox21_200813 -NCGC00095042-06 196713444 tox21-ror-cho-viability-p1 set2 4 -1.97873091 0.99965699 -2.35391571 -3.91288252 -2.73508485 2.0080965 0.81826117 -1.07895803 -3.66645492 1.75856026 -3.95627699 -7.02904679 -1.35350457 -2.97055918 -2.27852672 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00090885-03 196713037 tox21-ror-cho-viability-p1 set2 4 76.9588215421 -12.0614604 3.5 -8.5614604 4.9549173134 0.5150972268 0.1669263414 5.65495032 6.42052443 5.20077434 2.89780736 3.29799713 2.85988148 1.85667457 2.0245145 3.99170183 -0.16249655 -0.76392453 6.35557671 4.53241935 7.2372602 -6.301217 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-54-5 7243 144213975 D 1,2-Phenylenediamine Nc1ccccc1N Tox21_400014 -NCGC00021191-09 196713042 tox21-ror-cho-viability-p1 set2 4 0.24165369 -1.02032885 -0.81552588 0.13830831 0.29956139 -1.46697789 0.2224122 -0.23361057 -0.72329541 0.11661402 0.96428143 -0.42976305 1.36996712 0.70558878 7.25542231 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-04-4 5745 170464685 A Cortisone acetate CC(=O)OCC(=O)[C@@]3(O)CC[C@H]2[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4C(=O)C[C@@]23C Tox21_113482_1 -NCGC00090686-07 196713047 tox21-ror-cho-viability-p1 set2 4 0.2621164 1.86370907 0.20849264 2.53638694 -0.04443367 2.55435988 2.29807554 1.0398499 -0.65934837 -0.64038507 0.37260364 0.83562077 0.8061188 2.08808358 1.89730558 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00262907-01 196713445 tox21-ror-cho-viability-p1 set2 4 0.04702668 -0.49017501 -1.02093068 -2.35395631 -2.42461468 0.10579602 -2.81506006 -2.89759056 -1.14771477 0.17621467 -2.37615073 -0.75995122 -0.78222617 0.12979163 2.2468114 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 202189-78-4 185460 170466329 A Ac Bilastine O=C(O)C(C)(C)c4ccc(CCN1CCC(CC1)c3nc2ccccc2n3CCOCC)cc4 Tox21_113905 -NCGC00357254-01 196711407 tox21-ror-cho-viability-p1 set2 2.4 61.130564862 32.836802956 0.163197044 33 3.5722481694 0.9296114888 0.0000531989 0.32307756 0.68001691 -4.03066913 0.30422122 -1.01677331 -0.05284851 -0.43089999 0.67962309 3.05023731 -1.8398923 0.61183353 3.77570333 2.86138898 5.82017589 27.06794129 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3852-09-3 19710 251919899 A Methyl 3-methoxypropionate O=C(OC)CCOC Tox21_304047 -NCGC00357080-01 196711400 tox21-ror-cho-viability-p1 set2 4 -2.66149878 -2.90787816 -4.49850809 -3.11813097 -1.36213219 -2.2721809 -18.28897044 -12.86043995 -4.33042103 -8.49747464 -34.28566672 0 -6.33532671 -4.73004818 -35.1535408 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 18794-84-8 5281517 251919811 Fns trans-beta-Farnesene C/C(C)=C\CCC(\C)=C\CCC(=C)C=C Tox21_303792 -NCGC00260017-01 196711402 tox21-ror-cho-viability-p1 set2 4 23.9611655861 17.0882471041 0.4117528959 17.5 2.4063783767 0.5684973747 0.1210356346 -1.58003088 -0.79271376 -1.57820776 -2.99020592 0.01158197 -1.18007614 -1.57516767 1.67650945 9.90453209 6.33098486 -1.36968324 -0.89496709 0.79767345 8.25327907 14.17025664 5.9509999999E-10 1.3309999999E-9 2.975E-9 6.653E-9 1.488E-8 3.3259999999E-8 7.438E-8 1.663E-7 3.719E-7 8.316E-7 0.00000186 0.000004158 0.000009298 0.00002079 0.00004649 130-17-6 174223 144209666 A A 2-(4-Aminophenyl)-6-methylbenzothiazole sulfonic acid O=S(=O)(O)c1c(C)ccc2nc(sc12)c3ccc(N)cc3 Tox21_202468 -NCGC00357001-01 196711404 tox21-ror-cho-viability-p1 set2 2.4 76.9588215421 33.5751342079 -1.5751342079 32 4.9549173134 0.758679347 0.0170011691 -0.13751575 -0.5384709 0.14307105 -0.40196709 -0.84816484 -0.78860979 -0.99305972 -1.85848197 0.51393193 -2.7459372 4.80362116 -0.92945993 -5.95791565 -11.31261184 26.70913389 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 82697-71-0 23681559 251919718 A Clofencet-potassium [K+].[O-]C(=O)C1=C(CC)N(N=CC1=O)c2ccc(Cl)cc2 Tox21_303919 -NCGC00260116-01 196711408 tox21-ror-cho-viability-p1 set2 4 43.6735229148 -14.507829908 -1 -15.507829908 0.7999999999 0.6871835226 0.0446436468 0.88656762 -3.72562116 0.29468966 0.27054562 -0.24796968 -0.22549215 0.27883075 -5.35440254 -0.22124503 -4.45168238 -1.85784042 -3.71523288 -7.36205393 -4.74090273 -12.92319159 1.189E-9 2.658E-9 5.9439999999E-9 1.3289999999E-8 2.9719999999E-8 6.646E-8 1.486E-7 3.323E-7 7.4299999999E-7 0.0000016609999999 0.0000037149999999 0.000008307 0.000018579999999 0.00004154 0.000092879999999 7351-61-3 81811 144209765 F F 3-(Trichlorosilyl)propyl methacrylate Cl[Si](Cl)(Cl)CCCOC(=O)C(=C)C Tox21_202567 -NCGC00260110-01 196711821 tox21-ror-cho-viability-p1 set2 4 -0.81424401 0.10538642 0.75403844 4.19146505 -1.41913835 0.86997091 3.42668697 3.7837007 1.58120511 1.70592555 6.81796202 2.9046748 1.30225633 7.62623938 -0.92051291 1.18E-9 2.64E-9 5.902E-9 1.3199999999E-8 2.951E-8 6.5989999999E-8 1.476E-7 3.3E-7 7.378E-7 0.0000016499999999 0.0000036889999999 0.000008249 0.000018449999999 0.00004124 0.00009223 2235-54-3 16700 144209759 F A Ammonium dodecyl sulfate [NH4+].[O-]S(=O)(=O)OCCCCCCCCCCCC Tox21_202561 -NCGC00357243-01 196711823 tox21-ror-cho-viability-p1 set2 4 -0.07549881 -0.62865854 -0.18514285 -0.09257518 2.08562205 5.07146248 5.72234687 5.4506842 4.75854832 4.05170628 4.7582514 8.92840017 0.62804694 9.1929033 8.47652811 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1885-29-6 72913 251919881 A 2-Aminobenzonitrile N#Cc1ccccc1N Tox21_304036 -NCGC00257369-01 196726849 tox21-ror-cho-viability-p1 set3 4 0.69066486 -1.33888004 0.07938858 0.95246535 2.0471426 1.26691513 1.97808295 1.26845343 0.66014501 2.60392271 2.14405808 0.08782693 0.50726767 -0.02102628 0.02479547 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 625-45-6 12251 144213824 A Methoxyacetic acid O=C(O)COC Tox21_303516 -NCGC00256268-01 196728439 tox21-ror-cho-viability-p1 set3 4 -0.98562636 7.40117801 6.42017554 1.66854066 -0.9816581 -3.70399469 5.16182291 9.10421117 6.42496522 -2.61203608 0.79127935 1.85492607 -1.54275309 0.33916238 0.30219711 1.281E-9 2.863E-9 6.4029999999E-9 1.4319999999E-8 3.2009999999E-8 7.159E-8 1.6009999999E-7 3.579E-7 8.004E-7 0.00000179 0.000004002 0.000008948 0.00002001 0.00004474 0.000099999999999 52628-03-2 90551 144211594 F F 2-Hydroxyethyl methacrylate phosphate O=C(OCCOP(O)(O)=O)C(=C)C Tox21_301277 -NCGC00256619-01 196726423 tox21-ror-cho-viability-p1 set3 4 -4.30201556 -8.91042774 -17.38926595 -7.27150199 -23.98959659 -1.70370246 -1.60397605 0 -6.19796303 -19.4959578 -2.473319 -5.97983589 -21.61591417 1.55525069 -7.71458955 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 22694-96-8 31492 144213922 Fns 2,4,5-Trimethyl-3-oxazoline CC1OC(C)N=C1C Tox21_303617 -NCGC00091351-03 196726834 tox21-ror-cho-viability-p1 set3 -3 28.4484622985 -42.1452550193 -3.609312603 -45.7545676223 4.9549173134 0.6853034756 0.0544967661 1.06170593 3.10648952 -0.7503731 -0.64206705 3.43211809 -23.10553764 -3.74499834 0 -13.31399468 -7.90205963 -7.31302597 0.2220633 -1.19808688 -47.66100794 3.93264449 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00257457-01 196726848 tox21-ror-cho-viability-p1 set3 4 2.26304514 1.44976463 1.64676613 2.64940156 -0.99719686 1.88306869 -7.77039899 -1.72729851 -1.35018968 1.68285732 2.37056357 1.23780781 1.5200495 4.12804938 0.2383588 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-62-6 5363269 144213828 A Fns Ethyl oleate O=C(CCCCCCC/C=C\CCCCCCCC)OCC Tox21_303521 -NCGC00256375-01 196726850 tox21-ror-cho-viability-p1 set3 4 -4.77655882 -1.6523851 -0.85677997 -17.63443287 0 0 -1.63943195 0 0 -3.65614567 0 0 -13.48877533 -9.77897174 -2.04278642 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 127-19-5 31374 144213104 A A N,N-Dimethylacetamide CN(C)C(C)=O Tox21_302787 -NCGC00257206-01 196727249 tox21-ror-cho-viability-p1 set3 4 9.91620548 4.94466554 5.86171001 3.88917539 3.27001713 1.5509562 1.50414179 1.91450054 2.73716171 3.31492656 0.55799549 9.39660802 3.9246314 -0.1149067 0.83386526 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-52-7 8192 144213541 Ac Fns 1-Chlorododecane CCCCCCCCCCCCCl Tox21_303224 -NCGC00256539-01 196727252 tox21-ror-cho-viability-p1 set3 4 1.78051178 -3.63471458 -8.71380023 -4.11552822 -0.09668595 -0.28777899 -1.28066442 1.37609659 -4.25414635 -3.37142533 -5.28496971 1.22481016 0.15362614 0.946015 -1.10434246 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-22-6 5753 144213947 A A Corticosterone OCC(=O)[C@H]4CC[C@@H]2[C@]4(C)C[C@H](O)[C@@H]1[C@@]3(C)CCC(=O)C=C3CC[C@H]12 Tox21_303642 -NCGC00256631-01 196727265 tox21-ror-cho-viability-p1 set3 4 -1.30846896 -2.97110399 0.06434163 -0.69757093 2.27324185 0.13538552 3.92001828 -0.68032601 0 -3.70587546 0 -1.23395604 -2.6886405 -1.88742891 1.88286776 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 426-13-1 9878 144212910 A A Fluorometholone CC(=O)[C@@]4(O)CC[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3C[C@H](C)C1=CC(=O)C=C[C@@]12C Tox21_302593 -NCGC00256822-01 196727664 tox21-ror-cho-viability-p1 set3 4 -2.19594385 4.84009184 4.61377132 3.98818032 0.15478215 6.56675067 3.11931209 3.94240674 3.23688181 0.60770956 7.42630753 3.43448935 2.47281695 2.03313454 2.20636917 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2305-05-7 16821 144212934 A A gamma-Dodecalactone O=C1CCC(CCCCCCCC)O1 Tox21_302617 -NCGC00256504-01 196727671 tox21-ror-cho-viability-p1 set3 4 0.0968854161 8.001267252 -7.501267252 0.5 3.5117481694 0.8360627168 0.0034170342 -3.64648308 -7.43064471 -9.16772271 -8.91115955 -7.49595795 -6.23895366 -0.20375725 0.65417604 1.13620468 1.323848 2.02362337 0.76878714 0.74608886 -3.23257381 -0.62751901 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 50-81-7 54670067 144213275 Z A L-Ascorbic acid OC=1C(=O)O[C@H]([C@@H](O)CO)C=1O Tox21_302958 -NCGC00256917-01 196727682 tox21-ror-cho-viability-p1 set3 -2.2 17.2289340586 -55.9364661919 0.9899037919 -54.9465624 3.1319983358 0.9313685228 0.0000983201 9.34972208 3.58944473 3.03756775 1.57024561 -1.47964081 1.2719334 -9.92721679 3.39421175 -1.22345683 -0.02334734 -2.44842836 -3.17739552 -30.90919967 -50.75124 15.2631495 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2274-11-5 75282 144212894 F A Ethylene acrylate O=C(C=C)OCCOC(=O)C=C Tox21_302577 -NCGC00256004-01 196728084 tox21-ror-cho-viability-p1 set3 4 1.754976 -2.57678514 -3.36236773 2.33603354 1.73972698 6.72850404 -0.49318777 3.3671064 -3.73049697 -9.05266843 1.49443128 7.19445987 3.38055775 -0.64420684 12.46842125 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 36768-62-4 37524 144212449 A Ac 2,2,6,6-Tetramethylpiperidin-4-amine NC1CC(C)(C)NC(C)(C)C1 Tox21_302132 -NCGC00179358-04 196704589 tox21-ror-cho-viability-p1 set1 4 11.8832183006 -16.5724350679 3 -13.5724350679 0.5 0.8618807304 0.0015650937 2.81320188 3.25510091 2.49409484 3.44527182 2.52067807 1.90001865 3.95511703 -0.49539354 0.09054425 0.34575217 -4.92364255 -2.84992195 -1.76753546 -6.36252782 -9.64369589 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3963-95-9 54685047 170465224 A Methacycline hydrochloride Cl.NC(=O)C=3C(=O)[C@@]4(O)C(O)=C2C(=O)c1c(O)cccc1C(=C)[C@H]2[C@H](O)[C@H]4[C@@H](C=3O)N(C)C Tox21_110542_1 -NCGC00274062-01 196704159 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -16.441874992 -0.5 -16.941874992 4.9549173134 0.8502831869 0.0022794021 -0.70049281 0.18575066 0.1727415 0.50202027 -1.58203251 -2.93624307 -0.67464166 1.62414346 -1.82976088 0.83888405 -1.74588593 -0.46322157 -3.70998204 -1.45555013 -14.11822916 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 167465-36-3 153997 170465595 A F Zosuquidar trihydrochloride Cl.Cl.Cl.FC3(F)[C@@H]2c7ccccc7[C@H](c1ccccc1[C@@H]23)N4CCN(CC4)C[C@@H](O)COc6cccc5ncccc56 Tox21_113964 -NCGC00166323-02 196704168 tox21-ror-cho-viability-p1 set1 4 -0.26819092 2.90082818 -2.76958162 -3.0997717 -0.48401166 -2.81411954 0 7.80550338 0.18623327 -1.76934125 0.05342242 0.17134745 0.29502263 2.76211794 3.32392174 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 70-00-8 6256 170464911 A Trifluridine FC(F)(F)C1=CN(C(=O)NC1=O)[C@H]2C[C@H](O)[C@@H](CO)O2 Tox21_112411_1 -NCGC00253768-01 196704582 tox21-ror-cho-viability-p1 set1 4 4.22495205 1.41614791 0.36766617 2.6455522 2.35489074 2.00311119 -1.55018853 -1.47240795 3.12595275 2.81147536 0.37487182 0.96253712 3.12181519 2.80222214 0.03548863 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7036-58-0 65591 170466484 A Ac Propoxate CC(c1ccccc1)n2cncc2C(=O)OCCC Tox21_113881 -NCGC00247354-02 196704596 tox21-ror-cho-viability-p1 set1 4 -0.96720606 -3.47842946 -5.08989201 -3.2367737 -2.08644549 -2.72743143 -0.29515303 1.83259111 1.97516814 2.224995 -0.89611986 -2.56181315 0.2106088 -1.71975059 -1.0296237 1.1609999999E-9 2.5959999999E-9 5.804E-9 1.298E-8 2.9019999999E-8 6.489E-8 1.451E-7 3.245E-7 7.255E-7 0.000001622 0.000003628 0.000008112 0.00001814 0.00004056 0.000090689999999 69049-06-5 64761 144206431 A A Alfentanil hydrochloride Cl.CCC(=O)N(c1ccccc1)C2(COC)CCN(CC2)CCN3N=NN(CC)C3=O Tox21_112878 -NCGC00253646-01 196704996 tox21-ror-cho-viability-p1 set1 4 2.86828036 4.33561385 2.54307717 4.07158731 -0.17663787 0.87241912 -0.81579794 -0.47264008 0.93987965 0.7713561 3.42657748 2.68744451 4.08413509 -0.68195256 -0.44632249 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 138112-76-2 82148 170466417 A A Agomelatine CC(=O)NCCc1cccc2ccc(OC)cc12 Tox21_113772 -NCGC00179240-04 196705002 tox21-ror-cho-viability-p1 set1 4 0.32063726 0.41205489 -0.39403047 -0.41569713 0.12928079 -6.32280057 -0.26171601 0.44864031 0.78721306 -0.17247257 0.43417268 -0.77390597 0.93553722 0.76032614 0.66513981 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 79547-78-7 54384 170465061 A Levocabastine hydrochloride Cl.Fc1ccc(cc1)[C@@]2(CC[C@H](CC2)N3CC[C@@]([C@H](C)C3)(c4ccccc4)C(=O)O)C#N Tox21_110695_1 -NCGC00259183-01 196705820 tox21-ror-cho-viability-p1 set1 4 0.2186652288 13.748021932 -10.748021932 3 0.7999999999 0.5958128546 0.0999466175 -9.97348209 -2.60260155 -16.48105294 -16.87335161 -5.52199084 -3.74885857 -0.12774243 -10.54498696 1.81028651 -0.20082214 3.81149997 1.03312607 5.55455193 1.86080631 1.54232675 1.188E-9 2.6549999999E-9 5.9379999999E-9 1.3279999999E-8 2.969E-8 6.6379999999E-8 1.484E-7 3.3189999999E-7 7.422E-7 0.0000016599999999 0.0000037109999999 0.000008298 0.00001855 0.00004149 0.00009277 13071-79-9 25670 144208832 A Fc Terbufos CC(C)(C)SCSP(=S)(OCC)OCC Tox21_201634 -NCGC00259984-01 196705825 tox21-ror-cho-viability-p1 set1 4 5.29019803 0.56291292 1.79713948 2.92913907 0.0835798 2.52110722 2.40003212 2.51422529 4.5846169 13.72525508 0.58672508 1.15307225 0.38141552 2.75449306 2.08092493 1.182E-9 2.6419999999E-9 5.908E-9 1.3209999999E-8 2.954E-8 6.606E-8 1.4769999999E-7 3.303E-7 7.385E-7 0.000001651 0.000003693 0.0000082569999999 0.00001846 0.00004129 0.000092319999999 99-08-1 7422 144209633 A Ac 3-Nitrotoluene Cc1cc(ccc1)[N+](=O)[O-] Tox21_202435 -NCGC00259335-01 196705831 tox21-ror-cho-viability-p1 set1 4 5.55654288 4.80311734 -1.90351312 4.70189575 -1.28916943 2.15773835 2.28638278 1.4151702 0.92518417 14.14305595 0.25244479 2.31627918 0.11967332 1.22825928 4.0169423 1.1429999999E-9 2.555E-9 5.714E-9 1.278E-8 2.857E-8 6.388E-8 1.428E-7 3.194E-7 7.1419999999E-7 0.000001597 0.000003571 0.000007985 0.00001786 0.00003993 0.00008928 110-69-0 8069 144208984 I I Butanal oxime CCC\C=N/O Tox21_201786 -NCGC00016747-07 196705444 tox21-ror-cho-viability-p1 set1 -2.4 21.1316824289 -24.244974944 -1.5 -25.744974944 1.8851180601 0.8490905008 0.0023284203 1.34946481 1.0111814 -7.62197637 0.11572146 -0.97479962 -3.94344965 -2.8334792 -4.31756793 -0.57594309 -1.35116547 1.09395102 -2.66106558 -5.85032163 -13.56793873 -21.03747912 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 35898-87-4 3074 170465831 A Dilazep COc1cc(cc(OC)c1OC)C(=O)OCCCN3CCCN(CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)CC3 Tox21_110588_1 -NCGC00163774-04 196719033 tox21-ror-cho-viability-p1 set2 4 -4.24736342 -1.275291 -0.31779302 -1.66158299 -4.27121305 1.19786552 -4.13898436 -2.1421931 -2.56350281 -5.48088607 -2.77288774 -3.59961193 -6.60699388 -1.90905155 -4.38602894 1.2149999999E-9 2.7169999999E-9 6.075E-9 1.358E-8 3.038E-8 6.7919999999E-8 1.519E-7 3.396E-7 7.5939999999E-7 0.0000016979999999 0.000003797 0.0000084909999999 0.000018989999999 0.00004245 0.00009493 13194-48-4 3289 144214043 Z Z Ethoprop CCCSP(=O)(SCCC)OCC Tox21_400082 -NCGC00091602-02 196718613 tox21-ror-cho-viability-p1 set2 4 -2.16392911 -5.16386727 -4.69775032 0.33458683 -1.25233705 -5.51429814 0.00770023 1.0889909 -3.71083349 -1.02226096 -0.95631905 -0.09923966 -1.75226025 -1.85220504 -5.82473565 1.1679999999E-9 2.612E-9 5.84E-9 1.3059999999E-8 2.92E-8 6.529E-8 1.4599999999E-7 3.264E-7 7.3E-7 0.0000016319999999 0.0000036499999999 0.0000081609999999 0.00001825 0.00004081 0.000091239999999 602-60-8 11767 144213986 D A 9-Nitroanthracene [O-][N+](=O)c2c3ccccc3cc1ccccc12 Tox21_400025 -NCGC00256797-01 196718630 tox21-ror-cho-viability-p1 set2 4 -1.55584156 3.44683258 3.21743306 3.40957907 3.28344545 6.59231993 0.60316345 2.75793796 3.1145141 0.8286652 4.60577801 2.68402169 4.81428106 5.08286253 -1.08104398 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2638-94-0 92938 144212830 I I 4,4'-Diazene-1,2-diylbis(4-cyanopentanoic acid) O=C(O)CCC(C)(/N=N/C(C)(C#N)CCC(=O)O)C#N Tox21_302513 -NCGC00256445-01 196719030 tox21-ror-cho-viability-p1 set2 4 -0.09394621 0.63558348 1.51921452 -0.60691689 -0.82454439 2.51593661 -0.71757098 -1.64914642 0.52335329 0.92772075 0.49806043 4.78811309 0.91611605 5.24197789 -1.0258358 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10034-93-2 24842 144213312 Hydrazine sulfate NN.O=S(=O)(O)O Tox21_302995 -NCGC00257313-01 196719047 tox21-ror-cho-viability-p1 set2 4 61.130564862 -20.970373764 -2 -22.970373764 0.9999999999 0.7927726597 0.0093181167 -2.21925059 -4.1544299 -2.04693764 0.57248361 -1.84109486 -3.34245416 -3.70818582 0.21261937 -2.1512276 -5.45600452 -3.51050762 -0.88754802 -8.7970948 -8.19079407 -17.47531147 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 712-50-5 12837 144213955 A Cyclohexylphenylketone O=C(c1ccccc1)C2CCCCC2 Tox21_303653 -NCGC00256556-01 196719051 tox21-ror-cho-viability-p1 set2 4 1.67155528 0.95912591 -0.39677246 1.44763707 1.45560083 2.42825574 1.46143554 0.14008172 -0.49120621 -0.51470484 4.37883368 3.72489349 0.26831924 1.11589358 2.28767704 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 689-67-8 19633 144213250 F F 6,10-Dimethyl-5,9-undecadiene-2-one C/C(C)=C\CCC(C)=CCCC(C)=O Tox21_302933 -NCGC00257400-01 196719474 tox21-ror-cho-viability-p1 set2 4 -0.22980915 0.78009037 -0.37228296 0.86710071 1.17007449 7.40944115 1.63374548 8.47850557 5.73834841 -1.26145049 5.26556853 1.45874534 1.93941628 5.25379657 0.90054687 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 56038-13-2 71485 144213736 A A Sucralose O[C@H]1[C@H](O[C@H](CO)[C@H](Cl)[C@@H]1O)O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O Tox21_303425 -NCGC00256570-01 196719475 tox21-ror-cho-viability-p1 set2 4 0.94172833 0.21430477 0.63239651 3.4846675 0.42339826 0.27057447 0.91563224 1.84462845 4.65953674 6.05354213 5.78275285 -0.14916583 -0.11350659 0.44282947 -3.8816279 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 602-87-9 11769 144213194 A A 5-Nitroacenaphthene [O-][N+](=O)c1ccc2CCc3cccc1c23 Tox21_302877 -NCGC00256400-01 196719488 tox21-ror-cho-viability-p1 set2 4 -2.20100974 -1.77780979 -3.06963185 -2.72393841 0.56250209 -6.80757711 -2.2930902 -2.56600205 0.20849255 -3.35406342 -1.97962012 -0.78848244 -1.62290682 1.35547168 -0.04540694 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 142-04-1 8870 144213186 A C Aniline hydrochloride Cl.Nc1ccccc1 Tox21_302869 -NCGC00090780-04 196714905 tox21-ror-cho-viability-p1 set2 4 0.15446996 1.18989715 0.40779523 1.9921821 -0.49592706 -1.21861135 1.42956561 -0.3772201 1.04805204 0.44691309 -4.81009181 -1.4694279 -0.51524502 -6.47675544 1.28996482 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 85-68-7 2347 144214018 A A Benzyl butyl phthalate O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC Tox21_400057 -NCGC00254933-01 196714503 tox21-ror-cho-viability-p1 set2 4 2.29380298 -0.19762987 0.6654769 1.03455633 1.65244613 2.08792937 -5.97460927 0.82912205 1.34362724 2.2656674 0.2663796 0.90393006 1.05418217 1.33536413 -0.31242831 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 105-85-1 7778 144211348 C 3,7-Dimethyloct-6-en-1-yl formate C\C(C)=C\CCC(C)CCOC=O Tox21_301031 -NCGC00254830-01 196714898 tox21-ror-cho-viability-p1 set2 4 -8.44857952 -6.81248136 -5.95455239 -5.66015337 -9.15440047 -5.28877045 -6.93996768 -3.55032244 -5.40275528 0.22849524 -4.26924876 -7.05463697 -1.62285603 0.67523615 -4.31267173 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 104-27-8 61008 144211245 A A 1-(4-Methoxyphenyl)-1-pentene-3-one COc1ccc(C=CC(=O)CC)cc1 Tox21_300928 -NCGC00254550-01 196714900 tox21-ror-cho-viability-p1 set2 4 0.0769588215 8.353869468 0.646130532 9 0.8999999999 0.3205269901 0.3633781309 2.07887148 -3.21155789 4.01545891 3.49171728 0.28793747 10.69405846 0.45692721 2.10737575 14.36505714 14.75462225 2.14946454 10.85146733 13.51940888 3.22838041 1.36450849 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-48-8 5125 144210959 A Ac Tribufos CCCCSP(=O)(SCCCC)SCCCC Tox21_300642 -NCGC00249915-01 196713470 tox21-ror-cho-viability-p1 set2 4 -0.15168187 -1.01750882 0.24924567 1.6920374 -1.38345379 3.32091164 -0.9239848 -0.81944646 0.34999949 -0.030455 2.66047481 -0.52272071 0.78304839 0.1773724 -2.33056586 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14556-46-8 2475 170465802 A A Bupranolol Clc1ccc(C)cc1OCC(O)CNC(C)(C)C Tox21_113691 -NCGC00183015-01 196713069 tox21-ror-cho-viability-p1 set2 -2.4 29.8492948118 -30.514398404 -1.5 -32.014398404 2.2481167061 0.9391029725 0.000024688 -2.91795154 -4.44663556 -0.11207587 -1.14329697 0.29181079 -2.47427964 -1.82007449 -2.87901868 0.52846599 0.77790351 -1.94588106 -3.75703151 -2.97883128 -10.45624163 -23.76199867 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 122341-38-2 60751 144206848 B C Temoporfin Oc1cccc(c1)c9c2CCc(n2)c(c3cccc(O)c3)c4ccc(n4)c(c5cccc(O)c5)c6C=Cc(n6)c(c7cccc(O)c7)c8ccc9n8 Tox21_113297 -NCGC00090905-12 196713072 tox21-ror-cho-viability-p1 set2 4 1.11719402 5.81174475 -1.39987871 -2.44836142 5.25028412 4.93222507 4.4735867 3.14119426 3.90882873 2.14026405 3.34039674 3.60815352 0.87257322 -0.24342195 5.36543289 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 55-98-1 2478 170465232 F Busulfan O=S(C)(=O)OCCCCOS(C)(=O)=O Tox21_111038_1 -NCGC00253662-01 196713073 tox21-ror-cho-viability-p1 set2 4 7.4978038628 -10.062316108 3.5 -6.562316108 0.4 0.7229084242 0.0295451068 2.77373844 4.2213407 6.75030209 -0.05399513 1.31917861 2.49705945 2.56551692 1.07229082 1.40863166 2.11461714 0.06429503 -0.86380974 -2.01535502 -2.73122098 -3.80193009 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 40172-95-0 550206 170466675 F F 1-(2-Furoyl)piperazine O=C(N1CCNCC1)c2ccco2 Tox21_113787 -NCGC00163953-03 196713478 tox21-ror-cho-viability-p1 set2 -2.4 68.5896218971 -26.6265086079 1.5 -25.1265086079 4.9549173134 0.8976558119 0.0003644679 -0.31786926 -3.13304564 -1.25801755 2.24844799 3.11910487 -0.31662826 1.13911193 2.61928287 2.39967576 2.95686853 3.21930397 3.04252919 1.20371172 -0.56833544 -20.10542384 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00159416-04 196713486 tox21-ror-cho-viability-p1 set2 4 0.59832593 0.80947233 0.23411117 -0.5285468 0.35074397 0.63630047 -1.01061364 1.34373654 0.78169589 -0.17989104 0.26534772 0.98740498 -0.85875484 0.08652731 -4.97694839 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 434-22-0 9904 170466348 A Nandrolone O=C4CC[C@H]3C(CC[C@@H]1[C@@H]3CC[C@]2(C)[C@@H](O)CC[C@@H]12)=C4 Tox21_113167_1 -NCGC00254030-01 196713884 tox21-ror-cho-viability-p1 set2 -1.1 1.7228934059 -63.4478478591 -2.715956128 -66.1638039871 3.9899729863 0.9448530478 0.000014321 0.31480886 -2.13500553 -1.4835303 2.82226546 -0.48583402 -0.91582459 -10.30235691 -8.03988446 -8.6261301 -29.8112298 -68.10660316 -79.33729582 -74.09375135 -55.36852159 -51.94856712 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1034-01-1 61253 144210592 A A Octyl gallate Oc1cc(cc(O)c1O)C(=O)OCCCCCCCC Tox21_300272 -NCGC00254025-01 196713890 tox21-ror-cho-viability-p1 set2 -2.1 28.0703581023 -71.9943061158 -3.5395871549 -75.5338932707 2.1876167061 0.9348856409 0.0000349852 -0.48369149 0.31785302 0.48402711 1.19416205 1.34303501 -7.82048319 -9.4550336 -6.44810224 -0.04758587 -15.41806404 -7.59204038 -0.86426471 -27.13484058 -47.05120779 -74.05283654 1.097E-9 2.4529999999E-9 5.486E-9 1.2269999999E-8 2.7429999999E-8 6.133E-8 1.371E-7 3.0669999999E-7 6.857E-7 0.0000015329999999 0.0000034289999999 0.000007667 0.00001714 0.000038329999999 0.000085709999999 145-73-3 3225 144210414 A A Endothal OC(=O)C2C(C1CCC2O1)C(=O)O Tox21_300094 -NCGC00357145-01 196711846 tox21-ror-cho-viability-p1 set2 4 0.0968854161 -7.228146176 6.5 -0.728146176 3.9294729863 0.7045743066 0.0450002441 7.01748905 5.98555554 6.07796143 6.76780813 6.51968977 7.24716724 -2.73225815 -2.50449598 0.25848109 -3.10678848 -0.23845247 -1.15205603 -2.90386237 5.96888502 14.79354757 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 70630-17-0 11150163 251919713 F Metalaxyl-M C[C@@H](N(C(=O)COC)c1c(C)cccc1C)C(=O)OC Tox21_303887 -NCGC00357149-01 196711827 tox21-ror-cho-viability-p1 set2 4 76.9588215421 18.4075817321 1.5924182679 20 1.0999999999 0.6723891246 0.0520894723 0.10799601 2.17522323 3.12650089 2.2509551 0.0291706 1.93522576 0.06182112 3.46288372 -2.00631811 3.51512075 3.39569107 5.63094696 -0.01631024 6.22045335 15.3543175 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1672-46-4 15478 251919877 A Digoxigenin O[C@]54CC[C@H](C1=CC(=O)OC1)[C@@]5(C)[C@H](O)C[C@H]3[C@H]4CC[C@@H]2C[C@@H](O)CC[C@@]23C Tox21_303893 -NCGC00260196-01 196711835 tox21-ror-cho-viability-p1 set2 -1.1 21.734065517 -88.489656684 -0.4453612979 -88.9350179819 3.2974983358 0.9926604907 1E-10 -0.91768014 0.96860026 1.31132141 1.58740176 -0.34287513 2.07994839 -1.10676512 2.1455973 2.26241888 -7.48329238 -0.76547481 -7.02675476 -33.77262117 -79.88709329 -87.1911941 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.305E-7 7.3889999999E-7 0.0000016519999999 0.0000036949999999 0.000008262 0.000018469999999 0.00004131 0.00009237 404001-50-9 60196375 144209846 A A 1-Hexadecyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C[n+]1ccn(CCCCCCCCCCCCCCCC)c1 Tox21_202648 -NCGC00258518-01 196729334 tox21-ror-cho-viability-p1 set3 4 -4.28817645 2.44851633 0.50614049 -4.79048877 -7.26245711 -2.42819684 -11.59770454 -2.40134612 -0.5848882 0 -6.44015037 0 -12.18639683 -8.25621305 -1.41042027 1.198E-9 2.68E-9 5.992E-9 1.34E-8 2.996E-8 6.6989999999E-8 1.4979999999E-7 3.35E-7 7.4899999999E-7 0.000001675 0.000003745 0.000008374 0.000018719999999 0.00004187 0.00009362 926-57-8 637892 144208163 A I 1,3-Dichloro-2-butene C\C(Cl)=C\CCl Tox21_200965 -NCGC00255894-01 196728933 tox21-ror-cho-viability-p1 set3 4 30.6378586933 -20.171340248 16 -4.171340248 2.09374246 0.4840838915 0.1925277095 1.23802459 11.73422662 9.43410218 12.18271849 22.76458661 22.90852575 20.7333399 17.66531295 21.30253017 20.8199147 16.40707405 16.86092356 7.57302018 5.68646489 -3.89278354 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 954-21-2 70381 144212311 A A N-methyl-alpha-phenylbenzeneacetamide O=C(NC)C(c1ccccc1)c2ccccc2 Tox21_301994 -NCGC00255262-01 196728936 tox21-ror-cho-viability-p1 set3 -2.1 61.130564862 -119.8680512661 1.5125720409 -118.3554792252 3.2974983358 0.9848187841 9.6E-9 3.31768356 1.6524253 0.79404319 -5.83836128 -2.37327746 -0.53983304 6.90521604 5.16957928 0.31873909 4.6624838 0.59219086 1.80191245 -1.16022489 -22.87990844 -93.93292002 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52-76-6 5284486 144212286 B A Lynestrenol C[C@]32CC[C@@H]1[C@H]4CCCC=C4CC[C@H]1[C@@H]3CC[C@]2(O)C#C Tox21_301969 -NCGC00256090-01 196728938 tox21-ror-cho-viability-p1 set3 4 0.0015355304 16.61028444 -15.11028444 1.5 4.9549173134 0.7112192766 0.0336165607 -12.5919037 4.3316807 1.4116867 -1.38022635 3.10373054 3.12529964 4.53756849 3.37234296 3.42137104 -0.78803171 1.86179561 -2.60948317 -0.15424299 0.66969113 0.58030789 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 553-70-8 62371 144212580 Magnesium dibenzoate [Mg+2].[O-]C(=O)c1ccccc1.[O-]C(=O)c1ccccc1 Tox21_302263 -NCGC00258477-01 196729345 tox21-ror-cho-viability-p1 set3 4 0.10352391 2.32480135 0.56018521 -5.0079102 1.81631664 -3.5085113 0.35663553 -4.76454847 0.2243789 1.53034686 0 0 -1.43360702 1.93558115 3.17370238 1.185E-9 2.651E-9 5.927E-9 1.325E-8 2.964E-8 6.627E-8 1.482E-7 3.3129999999E-7 7.409E-7 0.000001657 0.000003705 0.000008284 0.00001852 0.00004142 0.00009261 71133-14-7 114809 144208121 Bromodichloroacetic acid BrC(Cl)(Cl)C(=O)O Tox21_200923 -NCGC00257791-01 196729352 tox21-ror-cho-viability-p1 set3 4 33.7130980538 10.9205971119 -4.9205971119 6 0.7999999999 0.6802115522 0.0486187771 -3.21327941 -7.01716426 -4.05934243 -4.08188906 -5.3914225 -4.61811194 -6.44731881 -6.34623261 -6.15592969 -1.14276485 -0.54805028 -4.13675695 -1.63977739 -0.00595136 3.79148187 1.1609999999E-9 2.595E-9 5.803E-9 1.298E-8 2.9019999999E-8 6.488E-8 1.451E-7 3.244E-7 7.254E-7 0.000001622 0.0000036269999999 0.0000081099999999 0.000018129999999 0.000040549999999 0.00009067 76-22-2 2537 144207435 A A Camphor CC2(C)C1CC(=O)C2(C)CC1 Tox21_200237 -NCGC00258624-01 196730263 tox21-ror-cho-viability-p1 set3 4 -1.88644137 -2.14835599 -0.05537522 -0.11817694 -0.02547176 -0.03705007 -2.12800534 2.18573234 5.13681158 3.02408348 0.82435055 0.07319646 0.1965573 1.32872913 5.27915501 1.1989999999E-9 2.68E-9 5.9929999999E-9 1.34E-8 2.9969999999E-8 6.701E-8 1.4979999999E-7 3.35E-7 7.492E-7 0.000001675 0.000003746 0.0000083759999999 0.00001873 0.00004188 0.00009365 123-38-6 527 144208269 FNS Propanal CCC=O Tox21_201071 -NCGC00256759-01 196707491 tox21-ror-cho-viability-p1 set1 4 0.6113056486 -4.736059352 2.5 -2.236059352 4.9549173134 0.4113610598 0.2801897165 3.46102899 3.16901395 -0.66650701 1.27120173 1.64855676 1.75879001 1.61808688 6.33193342 -1.85370088 -7.28004946 0.73084746 1.26725011 -0.11088052 -5.74029543 1.34740113 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 24817-51-4 520148 144212815 A A 2-Phenylethyl 2-methylbutanoate CC(CC)C(=O)OCCc1ccccc1 Tox21_302498 -NCGC00257238-01 196707085 tox21-ror-cho-viability-p1 set1 -2.4 26.9888583099 -29.9894035199 -2.5 -32.4894035199 1.21 0.8188602861 0.0052435338 -4.33501432 -5.42785232 0.61051774 -1.13794932 0.6366593 -2.24687007 -2.76530475 -3.08480595 -1.36494885 -0.8001909 -7.58951306 -4.20631435 -8.45014751 -8.4777156 -23.7411696 4.4769999999E-10 1.001E-9 2.238E-9 5.005E-9 1.119E-8 2.503E-8 5.596E-8 1.2509999999E-7 2.798E-7 6.256E-7 0.0000013989999999 0.000003128 0.000006995 0.00001564 0.00003497 NOCAS_48522 60196348 144213691 A A HMR1171 trifluoroacetate (1:1) FC(F)(F)C(=O)O.CCN(CC)C(=O)c1cc(c(cc1N(CC)CCN(C)C)N2CCC(CC2)c3ccccc3)S(=O)(=O)Cc4ccccc4 Tox21_303378 -NCGC00257293-01 196707086 tox21-ror-cho-viability-p1 set1 -2.4 18.7823965498 -34.6647049224 -8.921624152 -43.5863290744 4.9549173135 0.8668858579 0.4030149134 -9.4090459 -13.72974933 -19.74511699 -8.32800073 -14.32641113 -17.04220416 -10.60994766 -18.94470609 -19.01717934 -20.53320701 -14.90749609 -15.77705337 -4.10135346 -12.12786932 -39.98800796 3.643E-10 8.147E-10 1.822E-9 4.073E-9 9.108E-9 2.037E-8 4.5539999999E-8 1.018E-7 2.277E-7 5.0919999999E-7 0.000001139 0.000002546 0.0000056929999999 0.00001273 0.00002846 129298-91-5 9930932 144213744 Ac D TNP-470 C[C@@]1(O[C@@H]1C\C=C(\C)C)[C@H]3[C@H](OC)[C@H](OC(=O)NC(=O)CCl)CC[C@@]23CO2 Tox21_303433 -NCGC00257494-01 196707489 tox21-ror-cho-viability-p1 set1 -2.4 61.130564862 -36.297420772 1 -35.297420772 4.0449729863 0.9390304891 0.0000247395 1.19416078 4.32020637 0.24819601 1.09250311 -0.03055229 0.85660561 0.51315544 3.05190737 -3.26641204 4.91890557 -0.70252106 -0.69892913 0.49246649 -5.35528423 -29.41451731 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13680-35-8 83656 144213854 A A 4,4'-Methylenebis(2,6-diethylaniline) CCc1cc(cc(CC)c1N)Cc2cc(CC)c(N)c(CC)c2 Tox21_303549 -NCGC00256451-01 196707492 tox21-ror-cho-viability-p1 set1 4 38.5707788719 -21.57077064 2 -19.57077064 0.8999999999 0.729818642 0.0262289121 -0.24447915 0.21499339 0.79005258 1.67712918 3.0058889 0.98175595 8.04761893 3.11261145 1.08387544 0.43178147 1.57656474 -8.36980239 -0.72999391 -10.09344258 -12.9756422 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 434-13-9 9903 144213108 A A Lithocholic acid O=C(O)CC[C@@H](C)[C@H]4CC[C@@H]3[C@]4(C)CC[C@H]1[C@H]3CC[C@@H]2C[C@H](O)CC[C@]12C Tox21_302791 -NCGC00259351-01 196708771 tox21-ror-cho-viability-p1 set2 4 2.1007967385 12.2264507159 -5.7264507159 6.5 0.3 0.6819134236 0.0475147511 -4.94690796 -5.98453 -6.43870893 0.19399671 0.01838301 -2.80858449 -1.47745866 -2.23468787 -3.25971774 0.0557027 1.12007032 0.17234389 4.43596158 3.50646244 2.66250078 1.149E-9 2.569E-9 5.743E-9 1.284E-8 2.872E-8 6.421E-8 1.436E-7 3.211E-7 7.1789999999E-7 0.0000016049999999 0.0000035899999999 0.000008027 0.00001795 0.00004013 0.000089739999999 24549-06-2 32485 144209000 A B 2-Ethyl-6-methylaniline CCc1cccc(C)c1N Tox21_201802 -NCGC00259346-01 196708760 tox21-ror-cho-viability-p1 set2 4 -0.59706376 0.58293131 0.22247636 -0.04832129 2.97550576 1.54962542 0 3.84474494 2.54969224 1.31974013 4.69017841 2.6024872 4.42223634 4.79580783 6.48388831 1.193E-9 2.667E-9 5.963E-9 1.333E-8 2.982E-8 6.6669999999E-8 1.491E-7 3.3339999999E-7 7.4539999999E-7 0.0000016669999999 0.0000037269999999 0.0000083339999999 0.00001864 0.00004167 0.00009318 69806-40-2 50896 144208995 A A Haloxyfop-methyl O=C(OC)C(C)Oc1ccc(cc1)Oc2ncc(cc2Cl)C(F)(F)F Tox21_201797 -NCGC00259950-01 196708762 tox21-ror-cho-viability-p1 set2 -2.4 5.9579709467 -22.373816872 0.5 -21.873816872 0.6 0.9443835513 0.0000151152 0.06739187 -0.91216872 0.10530255 -0.57106597 -0.00357536 -1.58356953 0.04480013 -1.0704275 -3.51920194 -10.43666311 -9.85983178 -11.49604539 -12.49198776 -14.82115964 -20.31151406 1.155E-9 2.582E-9 5.773E-9 1.291E-8 2.886E-8 6.454E-8 1.443E-7 3.227E-7 7.216E-7 0.000001614 0.000003608 0.000008068 0.000018039999999 0.00004034 0.0000902 154-42-7 2723601 144209599 A A 6-Thioguanine NC2=Nc1ncnc1C(=S)N2 Tox21_202401 -NCGC00259594-01 196708763 tox21-ror-cho-viability-p1 set2 4 9.70281461 2.17340352 -1.42927769 9.69083502 2.0089545 1.4668802 2.49784304 1.45091658 1.42848731 0.92800115 8.81682937 9.75582761 8.20709733 2.16100848 1.5280171 1.1679999999E-9 2.6129999999E-9 5.8419999999E-9 1.3059999999E-8 2.9209999999E-8 6.532E-8 1.4599999999E-7 3.2659999999E-7 7.3019999999E-7 0.0000016329999999 0.0000036509999999 0.000008164 0.00001826 0.00004082 0.00009128 262-12-4 9216 144209243 A A Dibenzo-p-dioxin c1ccc2Oc3ccccc3Oc2c1 Tox21_202045 -NCGC00259425-01 196708775 tox21-ror-cho-viability-p1 set2 4 0.0015809261 8.648178996 -8.648178996 0 4.9549173134 0.5837876624 0.1123187128 -7.20681583 2.21414966 -1.47086616 0.04282731 -0.38516325 -0.50727021 -0.62861259 -0.06447414 -0.48472689 0.06531612 -1.44367316 -1.00233576 4.42444494 -0.04637025 0.44981165 1.2089999999E-9 2.703E-9 6.045E-9 1.352E-8 3.022E-8 6.758E-8 1.511E-7 3.379E-7 7.556E-7 0.00000169 0.0000037779999999 0.000008448 0.00001889 0.00004224 0.000094449999999 90-16-4 7006 144209074 A A 1,2,3-Benzotriazin-4(1H)-one O=C2N=NNc1ccccc12 Tox21_201876 -NCGC00259802-01 196709174 tox21-ror-cho-viability-p1 set2 -2.2 56.3718677123 -40.78526778 2 -38.78526778 2.5334283767 0.9865456723 4.7E-9 3.82294539 1.63601772 1.31151858 3.13765504 1.83584397 0.63080361 2.84882027 2.05312206 1.39425284 1.83838306 1.36641178 -0.67178379 -0.42332203 -10.90122278 -30.23772315 1.214E-9 2.7139999999E-9 6.0679999999E-9 1.357E-8 3.034E-8 6.7839999999E-8 1.517E-7 3.3919999999E-7 7.5849999999E-7 0.000001696 0.0000037919999999 0.00000848 0.00001896 0.000042399999999 0.00009481 136-35-6 8689 144209451 F F Diazoaminobenzene N(=N/Nc1ccccc1)\c2ccccc2 Tox21_202253 -NCGC00259080-01 196721148 tox21-ror-cho-viability-p1 set3 -3 75.1622947323 -41.5482102074 -2.5 -44.0482102074 4.9549173134 0.8507450055 0.0022039006 -4.87952377 0.83928892 -4.4358736 4.10826843 -1.64221221 -3.95695109 -9.91905436 -4.62277459 -1.41664331 -2.20442623 -2.47460159 0.03630107 -6.54451252 -1.31727295 -34.95889699 1.157E-9 2.5879999999E-9 5.7869999999E-9 1.2939999999E-8 2.894E-8 6.471E-8 1.447E-7 3.235E-7 7.234E-7 0.000001618 0.000003617 0.000008088 0.000018089999999 0.00004044 0.00009043 82657-04-3 5281872 144208728 A A Bifenthrin Cl\C(=C/C3C(C(=O)OCc2cccc(c1ccccc1)c2C)C3(C)C)C(F)(F)F Tox21_201530 -NCGC00259235-01 196721129 tox21-ror-cho-viability-p1 set3 4 86.2614126815 -34.288953196 -3 -37.288953196 0.9999999999 0.5520909704 0.1336693803 -3.13897397 -1.11053035 2.28047844 8.084746 -7.59053267 -6.67601758 -4.11594612 -5.74479452 -6.39566173 -4.41494015 -5.38686601 -5.28732409 -12.26779884 -4.06516488 -27.74079433 1.179E-9 2.637E-9 5.897E-9 1.319E-8 2.9479999999E-8 6.593E-8 1.474E-7 3.296E-7 7.3709999999E-7 0.000001648 0.000003685 0.000008241 0.000018429999999 0.0000412 0.000092129999999 427-51-0 9880 144208884 A A Cyproterone acetate CC(=O)[C@@]4(OC(C)=O)CC[C@H]3[C@@H]5C=C(Cl)C2=CC(=O)[C@@H]1C[C@@H]1[C@]2(C)[C@H]5CC[C@@]34C Tox21_201686 -NCGC00259791-01 196721133 tox21-ror-cho-viability-p1 set3 4 -2.55557206 -14.28397896 -6.10108789 -0.32566697 -0.90001909 -5.02739856 2.9367943 1.42745083 -0.46664976 -1.32412381 -9.64326117 -6.09917799 -2.89449836 1.86005684 0.02392929 1.2089999999E-9 2.702E-9 6.0429999999E-9 1.3509999999E-8 3.021E-8 6.7559999999E-8 1.511E-7 3.3779999999E-7 7.5539999999E-7 0.000001689 0.000003777 0.000008445 0.00001888 0.000042229999999 0.00009442 110-85-0 4837 144209440 A Piperazine C1CNCCN1 Tox21_202242 -NCGC00259129-01 196721145 tox21-ror-cho-viability-p1 set3 4 -8.1996435 -5.91227224 -0.61079576 5.78190615 -1.05845711 -6.45447535 -8.10566838 -3.1441354 -4.99352298 -9.94107975 0.8740575 -2.00632823 0.47005094 2.53589698 -0.69198053 1.2049999999E-9 2.695E-9 6.026E-9 1.347E-8 3.013E-8 6.737E-8 1.506E-7 3.368E-7 7.5319999999E-7 0.0000016839999999 0.000003766 0.000008421 0.000018829999999 0.000042109999999 0.00009415 528-29-0 10707 144208778 A A 1,2-Dinitrobenzene O=[N+]([O-])c1ccccc1[N+]([O-])=O Tox21_201580 -NCGC00257742-01 196716560 tox21-ror-cho-viability-p1 set2 -2.2 23.0798366325 -43.2654406924 4 -39.2654406924 1.4780888099 0.986013912 5.9E-9 3.35915725 3.44414725 4.67418167 4.10901173 6.12127282 3.87715653 2.34271411 4.26725977 5.52899695 2.0165281 0.1629461 -2.5504178 -13.2040473 -22.82434408 -36.35688953 1.129E-9 2.525E-9 5.646E-9 1.263E-8 2.823E-8 6.313E-8 1.412E-7 3.156E-7 7.058E-7 0.000001578 0.0000035289999999 0.000007891 0.00001764 0.00003945 0.000088219999999 609-19-8 11859 144207386 A A 3,4,5-Trichlorophenol Oc1cc(Cl)c(Cl)c(Cl)c1 Tox21_200188 -NCGC00258400-01 196715745 tox21-ror-cho-viability-p1 set2 4 -1.33568557 -0.85060648 -0.42639255 -0.74539255 -0.00907729 -0.47896892 -0.76232631 -0.21083642 0.9452503 -1.06147059 -0.25165518 -1.10378782 -6.44105258 -3.97502405 -3.45262468 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.6509999999E-8 1.487E-7 3.325E-7 7.436E-7 0.000001663 0.000003718 0.000008313 0.00001859 0.00004157 0.000092939999999 2104-09-8 16420 144208044 A A 2-Amino-4-(p-nitrophenyl)thiazole Nc1nc(cs1)c2ccc(cc2)[N+]([O-])=O Tox21_200846 -NCGC00257827-01 196715748 tox21-ror-cho-viability-p1 set2 -3 71.3188689078 -47.2467155765 1.4142702525 -45.832445324 4.9549173134 0.8936339969 0.0004380644 1.88024677 -1.07046006 -0.61417821 -0.28887452 1.71370677 -8.94181629 4.54598755 1.80206925 3.8103868 4.30039732 3.99069904 0 2.18477414 0.56488515 -37.1686074 1.219E-9 2.726E-9 6.097E-9 1.3629999999E-8 3.048E-8 6.816E-8 1.524E-7 3.408E-7 7.621E-7 0.000001704 0.00000381 0.00000852 0.00001905 0.0000426 0.00009526 105-11-3 7737 144207471 A A p-Benzoquinone dioxime O\N=C1/C=C/C(=N\O)C=C1 Tox21_200273 -NCGC00258506-01 196716157 tox21-ror-cho-viability-p1 set2 4 -1.27844928 1.77111182 -4.72398076 -3.8915056 -4.00872413 -4.21509799 1.70278232 0.54567929 1.07324835 -0.45699908 1.28359735 1.70338657 -0.59378949 -3.33530593 -1.67760332 1.185E-9 2.6499999999E-9 5.9249999999E-9 1.325E-8 2.9629999999E-8 6.625E-8 1.481E-7 3.312E-7 7.406E-7 0.000001656 0.0000037029999999 0.000008281 0.00001852 0.0000414 0.00009258 605-71-0 11803 144208151 A F 1,5-Dinitronaphthalene [O-][N+](=O)c2cccc1c2cccc1[N+]([O-])=O Tox21_200953 -NCGC00258688-01 196716579 tox21-ror-cho-viability-p1 set2 4 3.40133971 1.08765353 0.62868744 2.25527775 3.96144676 2.21024199 0.51286354 3.73053912 1.47946518 0.26192813 -1.3485578 -0.49358088 1.52199317 -0.72319894 -0.37755281 1.159E-9 2.591E-9 5.793E-9 1.2949999999E-8 2.896E-8 6.4759999999E-8 1.448E-7 3.238E-7 7.241E-7 0.0000016189999999 0.00000362 0.000008096 0.0000181 0.000040479999999 0.00009051 8021-39-4 460 144208334 D Creosote, wood Oc1ccccc1OC Tox21_201136 -NCGC00090986-03 196716984 tox21-ror-cho-viability-p1 set2 4 0.0488541686 5.4093018199 -6.8110577999 -1.40175598 1.21 0.4437127253 0.249906363 -2.0428643 -11.9258815 -6.02798945 -7.4371796 -1.5785187 -6.08584429 -1.19788387 -3.16462182 -0.97425651 -0.33479665 -0.64259143 -0.70101992 -2.29027348 -3.48865663 -18.18044205 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 1806-26-4 15730 144213976 A A 4-Octylphenol Oc1ccc(CCCCCCCC)cc1 Tox21_400015 -NCGC00247733-01 196716986 tox21-ror-cho-viability-p1 set2 -2.1 68.1016469048 -88.8348095118 -4.017749543 -92.8525590548 4.5044702849 0.9791243137 6.08E-8 -4.58024497 -3.06037803 -4.10559162 -7.04283562 -8.69378884 0.61564984 0.69133745 -5.43774705 -4.71399616 -7.82253473 -2.12562875 -3.81856783 -3.03043351 -12.82542122 -74.48615798 1.173E-9 2.6229999999E-9 5.8659999999E-9 1.312E-8 2.933E-8 6.559E-8 1.4669999999E-7 3.279E-7 7.3329999999E-7 0.0000016399999999 0.0000036659999999 0.000008198 0.00001833 0.00004099 0.000091659999999 53152-21-9 11969480 144206452 A A Buprenorphine hydrochloride Cl.CC(C)(C)[C@@](C)(O)[C@H]7C[C@]64CC[C@]7(OC)[C@@H]1Oc3c(O)ccc2C[C@H]6N(CC[C@]14c23)CC5CC5 Tox21_112899 -NCGC00164534-02 196716990 tox21-ror-cho-viability-p1 set2 4 2.54372383 0.52674471 1.39237439 3.89842467 5.35453727 6.00157592 7.50159443 5.8162542 0.93725872 -1.35045576 -1.08059616 -1.14279991 -1.71730381 1.07441466 2.04356356 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 98-67-9 4765 170465916 Ac 4-Phenolsulfonic acid Oc1ccc(cc1)S(O)(=O)=O Tox21_112165_1 -NCGC00254204-01 196714733 tox21-ror-cho-viability-p1 set2 4 -0.36216899 0.81664953 0.11057436 1.00176703 -0.08345874 -0.3561285 -0.51826414 -1.2643908 0.00332436 -1.00322923 5.22597944 4.6408385 0.53870564 3.18531866 0.50996398 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 120-12-7 8418 144210334 F Anthracene c1ccc2cc3ccccc3cc2c1 Tox21_300014 -NCGC00254981-01 196714728 tox21-ror-cho-viability-p1 set2 4 1.51737359 -0.72017083 1.21224932 1.70996585 1.57391556 -0.66038149 2.54951878 0.31174471 0.8562885 2.03635264 0.17056868 2.83762703 8.55110399 -1.24807711 2.78558861 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 109-86-4 8019 144211397 A A 2-Methoxyethanol OCCOC Tox21_301080 -NCGC00254997-01 196714729 tox21-ror-cho-viability-p1 set2 4 1.84782222 1.56148217 2.38403015 0.44361575 2.90067122 0.20426279 1.95123722 -1.07989861 2.87107031 4.47308559 2.42233621 5.11538103 -0.35178487 1.73704056 2.83963318 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10433-59-7 23700088 144211414 A A 2,4-DB-sodium [Na+].Clc1cc(Cl)ccc1OCCCC([O-])=O Tox21_301097 -NCGC00257525-01 196714731 tox21-ror-cho-viability-p1 set2 4 -1.192125 -0.01974455 -2.0837076 -0.14901868 -0.05229807 -0.03686931 2.58919505 1.64770644 -0.09680176 -0.54371347 2.90374251 3.99866048 4.91917256 4.39288371 0.13815269 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1071-93-8 66117 144211384 Z Z Hexanedihydrazide NNC(=O)CCCCC(=O)NN Tox21_301067 -NCGC00254442-01 196714736 tox21-ror-cho-viability-p1 set2 4 0.53506129 -0.48036019 -0.67716556 0.66142835 0.6442231 0.74670145 1.06529787 1.27459612 1.33318606 0.80006992 0.36286475 -1.09325908 0.25190889 -5.28452372 -6.39824035 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-85-7 6950 144210739 A A Dinoseb O=[N+]([O-])c1cc(cc(C(C)CC)c1O)[N+]([O-])=O Tox21_300421 -NCGC00024196-05 196713087 tox21-ror-cho-viability-p1 set2 4 -0.15185063 3.63665817 0.03430316 1.59045095 1.11813413 0.74604399 1.75650748 -1.36569879 3.12361301 -0.17730985 1.3779801 0.53709644 3.49312286 2.63130893 1.1651513 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 595-33-5 11683 170465406 A Megestrol acetate CC(=O)[C@@]3(OC(C)=O)CC[C@H]2[C@@H]4C=C(C)C1=CC(=O)CC[C@]1(C)[C@H]4CC[C@@]23C Tox21_110469_1 -NCGC00179408-03 196713075 tox21-ror-cho-viability-p1 set2 4 -0.96923809 2.75264806 0.60307831 -1.28652686 0.00505938 3.44377055 3.51893921 -0.49168082 0.17558941 -0.40065267 2.30793221 -0.37716993 3.55789246 1.05545 2.3627169 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 92339-11-2 3724 170464924 F Iodixanol OCC(O)CNC(=O)c1c(I)c(c(I)c(C(=O)NCC(O)CO)c1I)N(CC(O)CN(C(C)=O)c2c(I)c(c(I)c(c2I)C(=O)NCC(O)CO)C(=O)NCC(O)CO)C(C)=O Tox21_110711_1 -NCGC00164245-03 196713077 tox21-ror-cho-viability-p1 set2 4 -4.12496442 -4.62365477 -1.82137139 -4.88350451 -2.78916226 -1.19871834 0.90700963 -2.53639638 -1.46065629 2.73588896 -3.71202989 2.96808202 -0.83096787 -1.26536347 2.16104554 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 7281-04-1 23705 170466126 A Benzyldodecyldimethylammonium bromide [Br-].C[N+](C)(Cc1ccccc1)CCCCCCCCCCCC Tox21_113091_1 -NCGC00247988-03 196713079 tox21-ror-cho-viability-p1 set2 4 29.8492948118 -16.318288404 -1.5 -17.818288404 4.9549173134 0.8431633054 0.002804331 0.21198279 1.88558873 -3.57254517 -1.66599578 -0.55302909 -0.57773309 -1.32695499 -2.93743982 -2.16592368 -3.77529859 -1.83616588 -4.2294148 -1.9613302 -3.81781029 -16.09857367 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1343-78-8 10255083 170466801 A Cochineal O[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)c4c(O)c3C(=O)c2c(C)c(C(=O)O)c(O)cc2C(=O)c3c(O)c4O Tox21_111163_1 -NCGC00188690-02 196713097 tox21-ror-cho-viability-p1 set2 4 0.51412286 -0.2831687 0.48045754 0.20588241 1.65128927 3.98467523 0.52348778 0.92136442 -0.25445122 -0.24800687 -0.02286299 0.15532849 -0.60624587 1.05617868 -0.18096626 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 389574-19-0 10158453 170465441 A Prasugrel Cl.Fc1ccccc1C(N2CCc3sc(cc3C2)OC(C)=O)C(=O)C4CC4 Tox21_113621_1 -NCGC00181109-03 196713505 tox21-ror-cho-viability-p1 set2 4 2.28867952 -0.36039202 -1.65330663 -0.21169383 -1.08665195 -7.61825123 -0.37854364 1.88426289 -3.76653883 -1.22256111 -3.25391111 -3.25877782 -2.21183235 -2.26618084 0.81106052 5.899E-11 1.319E-10 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 18507-89-6 29112 170466244 F Decoquinate O=C(OCC)c1cnc2cc(OCC)c(cc2c1O)OCCCCCCCCCC Tox21_112723_1 -NCGC00094990-04 196713511 tox21-ror-cho-viability-p1 set2 4 -0.21963061 -0.25586544 1.33254283 -0.65785439 -0.91535559 -0.17486956 4.05990411 3.68457105 0.18010766 0.05432607 1.40544501 0.86087529 1.8190073 1.32567686 -4.2767157 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 57-08-9 2005 170466424 A Acexamic acid O=C(O)CCCCCNC(C)=O Tox21_111377_1 -NCGC00253602-01 196713516 tox21-ror-cho-viability-p1 set2 4 3.3015807 0.55110434 1.65136423 0.31712485 4.34262883 5.1892246 3.37186022 1.10228278 -2.23265849 4.81481363 1.5536324 5.24663132 2.82967269 -0.89794462 0.7491769 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 91-79-2 7066 170465520 A A Thenyldiamine CN(C)CCN(Cc1ccsc1)c2ccccn2 Tox21_113737 -NCGC00254943-01 196713909 tox21-ror-cho-viability-p1 set2 4 21.6899429044 -7.005349416 1 -6.005349416 4.9549173134 0.443428353 0.2518557576 1.1721536 -0.07087175 0.53342294 3.02957533 0.85100698 3.26518968 0.11034054 -0.24983419 -3.83689638 -0.14304095 0.12983572 5.04213222 -1.59252463 -5.83779118 4.06232335 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-43-3 8114 144211358 FNS Propyl ether CCCOCCC Tox21_301041 -NCGC00260521-01 196724459 tox21-ror-cho-viability-p1 set3 4 1.5449044595 -9.2319885599 4.5 -4.7319885599 3.0654483358 0.4290582055 0.2610248929 -6.42894594 3.16594534 7.6308118 7.96711186 8.93915252 0.54025058 6.31747383 8.49398196 4.40410799 -2.17842303 0.15113034 -13.9433238 -1.7230821 -2.3009994 7.49006137 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.6299999999E-8 1.4829999999E-7 3.315E-7 7.4129999999E-7 0.0000016579999999 0.0000037059999999 0.000008288 0.00001853 0.000041439999999 0.00009266 120-75-2 8446 144210173 A A 2-Methylbenzothiazole Cc1nc2ccccc2s1 Tox21_202975 -NCGC00260343-01 196724856 tox21-ror-cho-viability-p1 set3 4 0.0004901241 20.21918624 -21.21918624 -1 4.4494702849 0.6249214954 0.0799396436 -18.9326552 -4.59502561 0.17217753 -5.98405015 -5.20443095 -5.74323911 0.46505734 -5.94550201 3.65510955 1.571601 3.54033129 2.18952901 -4.74675131 -0.56707782 2.84639428 3.104E-10 6.9419999999E-10 1.552E-9 3.471E-9 7.7609999999E-9 1.735E-8 3.8809999999E-8 8.677E-8 1.94E-7 4.339E-7 9.7009999999E-7 0.000002169 0.000004851 0.00001085 0.00002425 85100-77-2 25153273 144209995 F 1-Butyl-3-methylimidazolium bromide Br.CN1C=CN(CCCC)C1 Tox21_202797 -NCGC00090827-04 196724863 tox21-ror-cho-viability-p1 set3 4 -6.23154116 -4.92077533 -6.07082891 1.80755783 2.34686501 -2.94131319 1.13723596 -1.88020171 -8.50218349 -5.63348183 -2.21480605 0.55668503 -1.96444207 -5.10309536 -0.40427776 1.188E-9 2.656E-9 5.94E-9 1.3279999999E-8 2.9699999999E-8 6.641E-8 1.4849999999E-7 3.321E-7 7.425E-7 0.0000016599999999 0.000003712 0.0000083009999999 0.00001856 0.000041509999999 0.00009281 90-05-1 460 144213965 A 2-Methoxyphenol Oc1ccccc1OC Tox21_400004 -NCGC00357244-01 196724866 tox21-ror-cho-viability-p1 set3 4 0.3857077887 13.184500468 -8.184500468 5 0.3 0.7368077662 0.0240730748 -6.40375039 -5.76804304 -4.39728352 -5.76833864 -2.68364946 -2.4768156 -5.76870931 -0.63932836 0.44466897 -0.66676927 0.60964316 3.73413192 -0.41211538 -0.70928383 5.8113988 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 79-07-2 6580 251919765 Ac Chloroacetamide ClCC(N)=O Tox21_304037 -NCGC00090686-07 196724869 tox21-ror-cho-viability-p1 set3 4 -6.36886824 -3.3031189 -4.45219907 -3.40853473 -3.41782365 -5.13103349 1.76768166 2.23502291 1.83399823 2.26689157 3.53849728 -0.50287586 -2.4727707 0.88718645 1.44317842 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 59-87-0 5447130 144213996 A A Nitrofurazone O=[N+]([O-])c1ccc(/C=N/NC(N)=O)o1 Tox21_400035 -NCGC00025283-02 196725268 tox21-ror-cho-viability-p1 set3 4 0.0133331902 8.715412548 0.284587452 9 2.4063783767 0.5262880414 0.1720705195 0.04925759 1.59552084 -1.01284379 1.55439071 4.84990817 8.80217089 8.46015737 14.87273604 10.76406358 11.00506721 15.71553254 3.80959792 1.0106241 7.38293604 2.70395402 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 72420-38-3 51576 170466616 Ac Acifran CC1(OC(=CC1=O)C(=O)O)c2ccccc2 Tox21_110958_1 -NCGC00357015-01 196711255 tox21-ror-cho-viability-p1 set2 4 -8.82565602 -8.60050789 -6.72474502 -15.72834345 -4.43108337 -5.445892 -22.41504936 -3.71287748 -4.75189361 -36.19078255 -11.38587942 0 -1.1847358 -4.58415233 -13.92776643 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 35141-30-1 118771 251919793 Fns N-(2-Aminoethyl)-N'-[3-(trimethoxysilyl)propyl]ethane-1,2-diamine CO[Si](CCCNCCNCCN)(OC)OC Tox21_303768 -NCGC00168342-02 196711261 tox21-ror-cho-viability-p1 set2 -2.4 7.6489481381 -22.840257876 -1 -23.840257876 1.8851180601 0.7968967426 0.0117697615 0.49151985 1.08043842 -0.33149129 -0.12854183 -0.846572 1.68555656 -7.92773256 1.05921978 0.11881511 -8.23355189 -5.79805146 -9.21031898 -27.78354823 -18.57042604 -4.28681723 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 131983-72-7 86233 144214008 A A Triticonazole Clc1ccc(cc1)C=C3CCC(C)(C)C3(O)Cn2cncn2 Tox21_400047 -NCGC00255432-01 196710844 tox21-ror-cho-viability-p1 set2 4 -4.27605613 1.72298936 -0.59278824 -8.16024483 -4.99453201 -7.08315278 2.14456865 -3.47532031 -3.73068796 -1.51846152 -3.11490041 0.64998897 0.89150015 1.58162047 -5.30036196 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1320-07-6 57351929 144212179 Fns C.I. Acid Orange 24, monosodium salt [Na+].O=S([O-])(=O)c3ccc(/N=N/c2ccc(O)c(/N=N/c1ccc(C)cc1C)c2O)cc3 Tox21_301862 -NCGC00255446-01 196710862 tox21-ror-cho-viability-p1 set2 4 0.0008634922 24.582216432 -28.582216432 -4 0.7 0.4807400329 0.1962772871 -20.48518036 -11.62701326 0.48186765 -7.91457504 -6.20736344 -8.24613843 -5.27828785 -6.56133187 -7.28899156 -5.00356282 -6.82605773 -0.7016145 -2.21905255 -6.369051 1.43258698 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 459-57-4 68023 144212439 F A 4-Fluorobenzaldehyde O=Cc1ccc(F)cc1 Tox21_302122 -NCGC00357140-01 196711270 tox21-ror-cho-viability-p1 set2 4 26.6032120037 -22.601873076 2 -20.601873076 3.5722481694 0.8320683148 0.0037691584 3.32009847 5.2420289 3.41219867 0.62352252 -1.28206289 -0.4383855 -0.64407886 4.37898176 0.81660615 1.11329596 -1.36146525 5.38367887 3.79950303 -4.97551428 -17.58489423 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 624-18-0 12205 251919643 Fns 1,4-Benzenediamine dihydrochloride Cl.Cl.Nc1ccc(N)cc1 Tox21_303880 -NCGC00260232-01 196711271 tox21-ror-cho-viability-p1 set2 2.4 69.4973960317 18.855435324 1.144564676 20 4.9549173134 0.9334971333 0.0000399749 0.10068177 0.0135197 0.35578948 0.85176284 0.23938238 1.24437931 -0.71286277 2.00884543 1.74553855 1.80986444 0.13942439 3.30351508 2.27702479 2.00573145 16.61194162 1.193E-9 2.6679999999E-9 5.967E-9 1.3339999999E-8 2.9829999999E-8 6.671E-8 1.4919999999E-7 3.3359999999E-7 7.458E-7 0.000001668 0.0000037289999999 0.000008339 0.00001865 0.000041689999999 0.00009323 258273-67-5 45268380 144209882 A A 1-Butyl-3-methylpyridinium iodide [I-].Cc1ccc[n+](CCCC)c1 Tox21_202684 -NCGC00260101-01 196711272 tox21-ror-cho-viability-p1 set2 -3 70.1270162954 -52.4941607211 0.4708512759 -52.0233094452 4.9549173134 0.9178198381 0.000118852 -1.09681024 -3.27192547 -2.36115868 -1.77169589 -2.4178392 -1.56950194 -0.24496882 0.89078477 0.35827516 2.78385101 -1.71216159 0.56876547 7.81267022 2.94783539 -42.47881702 1.202E-9 2.6889999999E-9 6.0119999999E-9 1.344E-8 3.006E-8 6.722E-8 1.503E-7 3.361E-7 7.516E-7 0.0000016809999999 0.000003758 0.000008403 0.000018789999999 0.00004201 0.00009394 80-10-4 6627 144209750 F F Dichlorodiphenylsilane Cl[Si](Cl)(c1ccccc1)c2ccccc2 Tox21_202552 -NCGC00356980-01 196711671 tox21-ror-cho-viability-p1 set2 4 7.6958821542 10.1771261839 -11.6771261839 -1.5 2.4063783767 0.3489810362 0.3368605496 -4.47719929 -6.83654511 -8.23233482 -8.46472893 -6.45991103 -21.81427182 -17.39988733 -12.1057141 -16.52880288 -13.00856914 -8.88609446 -7.41496584 0 -3.35322766 -16.62040407 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 20120-33-6 29959 251919748 F Dimethyl N-methylolphosphonopropionamide O=P(CCC(=O)NCO)(OC)OC Tox21_303831 -NCGC00260652-01 196711675 tox21-ror-cho-viability-p1 set2 4 37.5780357627 -18.08079368 2 -16.08079368 4.9549173134 0.6187025383 0.0843000216 -1.34953606 0 -0.17086257 4.90828643 0.57427575 -0.84173119 -1.17593895 5.1088516 1.2452097 2.50749572 4.75010104 6.34724503 1.23566902 7.45955537 -13.4006614 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49548 144210305 M M NTP Mix93 ER AR1 18-EQP Tox21_203107 -NCGC00260062-01 196711680 tox21-ror-cho-viability-p1 set2 2.4 69.8470682301 28.4684378961 1.5315621039 30 0.9999999999 0.829504203 0.0040311466 1.84766053 -0.80703158 1.00608071 -0.17204685 2.68252104 3.70117551 1.41011253 4.15326706 2.52321594 0.4262409 4.77144802 7.29465622 3.9176777 9.15189073 22.02206719 1.198E-9 2.679E-9 5.991E-9 1.34E-8 2.995E-8 6.698E-8 1.4979999999E-7 3.3489999999E-7 7.488E-7 0.0000016739999999 0.000003744 0.0000083719999999 0.000018719999999 0.000041859999999 0.000093599999999 140-88-5 8821 144209711 Fns Ethyl acrylate C=CC(=O)OCC Tox21_202513 -NCGC00260188-01 196711694 tox21-ror-cho-viability-p1 set2 4 0.03841616 0.19820328 1.96014744 2.33676892 2.26732251 6.40721672 -0.41100636 5.06280685 5.92011299 2.35296128 1.86466004 0.26385242 4.29026689 8.45648148 -4.06611297 1.194E-9 2.671E-9 5.972E-9 1.335E-8 2.986E-8 6.677E-8 1.493E-7 3.338E-7 7.465E-7 0.000001669 0.000003732 0.000008346 0.00001866 0.000041729999999 0.00009331 145022-45-3 16211849 144209838 A A 1-Ethyl-3-methylimidazolium methanesulfonate C[n+]1ccn(CC)c1.[O-]S(C)(=O)=O Tox21_202640 -NCGC00260064-01 196712089 tox21-ror-cho-viability-p1 set2 4 -0.94148287 -0.14613956 0.6979515 -0.11373064 -3.31244839 0.76962972 1.2960412 -0.41155996 0.24590199 0.25798162 -2.44355797 0.43228978 1.25755274 0.8437492 5.85753279 1.189E-9 2.6589999999E-9 5.945E-9 1.3289999999E-8 2.973E-8 6.647E-8 1.486E-7 3.323E-7 7.4319999999E-7 0.000001662 0.000003716 0.000008309 0.000018579999999 0.00004154 0.00009289 149-91-7 370 144209713 A A Gallic acid Oc1cc(cc(O)c1O)C(=O)O Tox21_202515 -NCGC00256887-01 196718243 tox21-ror-cho-viability-p1 set2 4 -4.66788033 -5.80134065 0.41966739 0.07633022 -4.85433622 -6.58042473 -6.48873799 2.90614957 -2.18778509 -2.61590558 -4.62389006 -5.96754865 -1.96506681 0.31809756 2.22362943 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 31375-17-4 35785 144213934 Ac Fns 1-(5-Isopropyl-2-methyl-cyclohex-2-enyl)-propan-1-one CC(C)C1CC=C(C)C(C1)C(=O)CC Tox21_303629 -NCGC00256578-01 196718238 tox21-ror-cho-viability-p1 set2 4 -1.16548137 -0.82919294 -0.55186431 -2.15644918 -0.18807177 -0.7490667 0.13203884 2.89175361 3.18646672 0.08627426 4.9719305 5.7291527 0.74483867 0.30354611 0.80196361 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 100-64-1 7517 144213332 A A Cyclohexanone oxime O\N=C1/CCCCC1 Tox21_303015 -NCGC00090704-03 196718245 tox21-ror-cho-viability-p1 set2 4 8.6349217992 12.811057924 -2.311057924 10.5 1.17051 0.5446303776 0.1400824893 0.72188546 -8.59254827 0.63278638 0.50829772 -7.3434948 0.70290376 -0.61204601 0.20608811 -3.81417937 -7.72843836 8.95735593 1.4228316 5.69183921 10.10333216 9.70781655 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10025-82-8 24812 144214028 Indium trichloride Cl[In](Cl)Cl Tox21_400067 -NCGC00256742-01 196718641 tox21-ror-cho-viability-p1 set2 4 -0.75369016 2.23882284 1.08303597 -0.8417907 0.03111236 0.69396548 -6.04504048 -0.85567865 -0.21350253 -5.10981492 -5.54469011 2.92750229 2.15887151 -0.47247296 2.13154047 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 NOCAS_47726 16666638 144212856 A A trans-2-Ethoxy-5-(1-propenyl)phenol CCOc1ccc(cc1O)/C=C\C Tox21_302539 -NCGC00257365-01 196718659 tox21-ror-cho-viability-p1 set2 4 1.71648597 2.57163572 1.77130284 2.62688501 0.50447794 -7.8735557 -11.67783411 2.47465837 2.67644876 0.77417575 3.83968518 2.01583412 2.00781486 -0.2030044 -0.09438881 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 68515-48-0 590836 144213772 F F DINP branched CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C Tox21_303462 -NCGC00256985-01 196719057 tox21-ror-cho-viability-p1 set2 4 -1.76191053 0.4146187 1.02672314 -4.22590882 -3.02001003 -4.35740875 -0.39819003 -5.42817494 -4.67534234 2.78461094 -4.42942255 1.05204923 -2.08414044 2.27462508 -5.47872987 1.159E-9 2.591E-9 5.795E-9 1.2959999999E-8 2.8969999999E-8 6.479E-8 1.449E-7 3.239E-7 7.243E-7 0.00000162 0.000003622 0.000008098 0.000018109999999 0.00004049 0.00009054 7773-06-0 24482 144213380 F Ammonium sulfamate [NH4+].[O-]S(N)(=O)=O Tox21_303063 -NCGC00258421-01 196715345 tox21-ror-cho-viability-p1 set2 4 68.6593799697 11.262341832 -0.262341832 11 4.9549173134 0.8074727188 0.0070379229 -1.3994992 1.47153099 0.6013188 0.97310055 -1.65377179 -1.34869991 1.31192579 -1.19177472 -1.0496342 1.38977905 -0.95119219 -0.54208072 -1.88528486 0.5495491 9.03895847 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004127 0.00009229 6533-68-2 20055509 144208065 A A Scopolamine hydrobromide trihydrate Br.O.O.O.OC[C@H](c1ccccc1)C(=O)O[C@H]2C[C@@H]3N(C)[C@H](C2)[C@H]4O[C@@H]34 Tox21_200867 -NCGC00254894-01 196714930 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -44.1405672772 -2 -46.1405672772 3.6272481694 0.9204713527 0.00010049 2.39072816 -1.2898207 -5.5915064 -1.95041933 1.03240864 -2.10023184 -5.1903194 -4.17148934 1.58411302 -2.6962706 -5.26369556 -4.05655915 -0.85596389 -7.9912955 -34.95497521 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10347-81-6 71478 144211309 A A Maprotiline hydrochloride Cl.CNCCCC24CCC(c1ccccc12)c3ccccc34 Tox21_300992 -NCGC00254666-01 196714934 tox21-ror-cho-viability-p1 set2 4 0.27559476 2.33126765 1.64986786 3.99001621 0.70533803 -0.29893208 0.91036355 0.31571933 0.13503718 1.8307744 1.03589958 0.73119082 0.35144554 1.09817202 -0.38475581 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2008-41-5 16181 144211079 A A Butylate CC(C)CN(CC(C)C)C(=O)SCC Tox21_300762 -NCGC00253916-01 196714945 tox21-ror-cho-viability-p1 set2 4 -3.60562856 -8.0918514 -6.83364518 -1.45043004 -1.14440636 0.19316841 -11.00815905 -6.01631934 -5.1459133 -1.98460497 -1.32667026 -4.07417133 1.60547607 -0.03832488 -3.04914488 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 66-27-3 4156 144210619 CC Methyl methanesulfonate CS(=O)(=O)OC Tox21_300299 -NCGC00258272-01 196715346 tox21-ror-cho-viability-p1 set2 4 0.0142439945 4.472409156 -1.972409156 2.5 4.9549173134 0.4536681578 0.2244980573 -2.49433193 -0.05563143 -3.72700763 0.0077228 2.5227924 6.97133194 2.22820976 1.93992394 2.68806936 -1.83215495 -0.07229619 5.64461417 2.44071225 3.0106843 2.0352781 1.22E-9 2.729E-9 6.1009999999E-9 1.3639999999E-8 3.051E-8 6.821E-8 1.525E-7 3.411E-7 7.627E-7 0.000001705 0.000003813 0.0000085269999999 0.00001907 0.00004263 0.00009533 171058-17-6 2734163 144207916 A A 1-Hexyl-3-methylimidazolium chloride [Cl-].C[n+]1ccn(CCCCCC)c1 Tox21_200718 -NCGC00257795-01 196715349 tox21-ror-cho-viability-p1 set2 4 -0.33747515 3.59772743 3.7275284 0.33799118 0.45510706 3.20496596 3.02212684 -0.05980725 0.02763662 -0.19169425 -0.81396944 3.13686489 3.08973036 3.96337023 3.6449144 1.1759999999E-9 2.63E-9 5.8799999999E-9 1.315E-8 2.94E-8 6.574E-8 1.4699999999E-7 3.2869999999E-7 7.35E-7 0.000001643 0.0000036749999999 0.000008217 0.00001837 0.00004109 0.00009187 110-18-9 8037 144207439 F N,N,N',N'-Tetramethylethylenediamine CN(C)CCN(C)C Tox21_200241 -NCGC00257708-01 196715760 tox21-ror-cho-viability-p1 set2 4 0.92328901 0.75543328 -0.48504322 0.79122092 2.16678398 0.25902368 1.03513235 0.45298507 0.73560454 1.01749534 -7.67080557 -6.03877548 -1.39275193 0.33441903 -4.7424276 1.179E-9 2.6359999999E-9 5.894E-9 1.318E-8 2.947E-8 6.59E-8 1.474E-7 3.295E-7 7.368E-7 0.0000016469999999 0.000003684 0.000008237 0.00001842 0.00004119 0.000092099999999 2381-21-7 16932 144207352 A F 1-Methylpyrene Cc4ccc1ccc2cccc3ccc4c1c23 Tox21_200154 -NCGC00253942-01 196714764 tox21-ror-cho-viability-p1 set2 4 -0.18770382 -6.12827316 -2.55167054 0.625334 -1.95449784 -6.26525892 -13.75882482 -8.27585307 -5.04353221 -5.27910962 -1.60767197 -3.50809715 -4.707023 -0.2587365 0.77324521 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-63-7 6545 144210497 AC F 2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C Tox21_300177 -NCGC00254288-01 196714753 tox21-ror-cho-viability-p1 set2 -2.2 54.4826732819 -35.3316908599 -4.010056192 -39.3417470519 2.4063783767 0.9451101075 0.0000140498 -3.26552837 -1.25838016 -3.20724756 -4.24462741 -5.92226661 -3.85750631 -3.40919965 -4.77115344 -7.54725782 -5.92047453 -6.56977563 -3.83092843 -3.57122697 -16.74003076 -31.53478921 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 88-60-8 6937 144210804 A A 2-tert-Butyl-5-methylphenol CC(C)(C)c1ccc(C)cc1O Tox21_300486 -NCGC00254906-01 196714759 tox21-ror-cho-viability-p1 set2 4 -2.7305242 -0.48263114 -3.11659029 -4.04063555 -13.62090775 -1.67173535 -1.53371219 -3.28179422 -7.77108531 -1.43962109 -4.23528721 -9.5474888 -0.64556173 -7.16150924 -5.64497935 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 4658-28-0 3032472 144211321 A A Aziprotryne CSc1nc(/N=[N+]=[N-])nc(NC(C)C)n1 Tox21_301004 -NCGC00254412-01 196714762 tox21-ror-cho-viability-p1 set2 4 -1.72755403 -1.27941108 1.79707636 2.61815118 0.94371264 -1.58083551 2.28617108 -1.1936312 1.04067728 2.30471432 3.96685752 3.44064699 1.27914549 3.43940869 2.01839904 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 86386-73-4 3365 144210898 A A Fluconazole OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F Tox21_300581 -NCGC00090858-02 196715576 tox21-ror-cho-viability-p1 set2 4 0.47004511 3.94218463 2.80402914 1.21720604 3.43259745 -1.97936297 2.71580383 0.28089727 2.55355547 0.28569167 -4.3234096 2.55988174 0.44507346 0.14301724 2.92687758 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00258127-01 196715577 tox21-ror-cho-viability-p1 set2 4 1.25619658 2.11666861 2.06623353 -1.67492054 2.19071435 -3.34939984 1.83886886 0.45483752 -3.64659629 1.36760631 -2.04503873 1.7309885 -0.38655794 -0.23356954 0.24005551 1.1919999999E-9 2.6649999999E-9 5.96E-9 1.333E-8 2.98E-8 6.663E-8 1.49E-7 3.332E-7 7.45E-7 0.0000016659999999 0.000003725 0.000008329 0.00001862 0.00004164 0.00009312 3333-52-6 18745 144207771 A A Tetramethylsuccinonitrile CC(C)(C#N)C(C)(C)C#N Tox21_200573 -NCGC00258005-01 196715582 tox21-ror-cho-viability-p1 set2 4 0.95555474 1.72002255 0.81266882 0.24247018 1.94591458 2.45448123 -1.69720239 2.97451961 2.61298859 2.58008013 -1.52391164 2.65435568 0.86546263 -2.06778524 3.3740264 1.185E-9 2.649E-9 5.923E-9 1.325E-8 2.962E-8 6.6229999999E-8 1.481E-7 3.311E-7 7.4039999999E-7 0.000001656 0.000003702 0.000008278 0.00001851 0.00004139 0.000092549999999 764-41-0 15122 144207649 FNS 1,4-Dichloro-2-butene ClCC=CCCl Tox21_200451 -NCGC00091351-03 196714766 tox21-ror-cho-viability-p1 set2 4 1.5997745989 4.3873426799 -3.8873426799 0.5 4.9549173134 0.3266809895 0.3442962815 -2.09857389 -1.54147992 -0.72358961 -2.11398909 -5.18394676 -9.9061189 -0.87011986 -7.62649617 -6.70125408 -1.22894779 2.31255407 -5.54688542 1.84791108 2.18503436 1.28410278 1.221E-9 2.7299999999E-9 6.105E-9 1.365E-8 3.053E-8 6.826E-8 1.526E-7 3.4129999999E-7 7.6309999999E-7 0.0000017059999999 0.0000038159999999 0.0000085319999999 0.000019079999999 0.000042659999999 0.000095389999999 99-65-0 7452 144213993 A A 1,3-Dinitrobenzene O=[N+]([O-])c1cccc(c1)[N+]([O-])=O Tox21_400032 -NCGC00254238-01 196714363 tox21-ror-cho-viability-p1 set2 4 2.47373477 -0.12451956 0.02901768 1.05370264 -1.29663643 1.7576464 -0.60148909 2.2186229 6.34821311 4.17877462 2.30465579 -0.92799008 1.88641079 -0.00050301 -1.09715238 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 63-05-8 6128 144210896 A A 4-Androstene-3,17-dione O=C2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4CC[C@]23C Tox21_300579 -NCGC00095042-06 196714367 tox21-ror-cho-viability-p1 set2 4 57.4322316456 17.5239879159 -5.0239879159 12.5 2.9522712143 0.6202724686 0.0832821441 -3.25671816 -2.74660764 -2.44422365 -4.19502757 -2.96407361 1.51476781 -5.03310126 -7.5114921 -5.44242511 -7.05689033 -11.26998993 -8.01674125 -2.91149738 -0.12218944 9.5393772 1.233E-9 2.757E-9 6.164E-9 1.378E-8 3.082E-8 6.892E-8 1.5409999999E-7 3.446E-7 7.705E-7 0.000001723 0.000003853 0.000008615 0.00001926 0.00004307 0.00009631 52-24-4 5453 144214026 A A ThioTEPA S=P(N1CC1)(N2CC2)N3CC3 Tox21_400065 -NCGC00254990-01 196714372 tox21-ror-cho-viability-p1 set2 4 0.57215438 3.53832638 -2.31632814 4.02489789 0.60383331 2.50005674 0.72217708 1.35559963 0.00393585 2.06351043 0 2.51839234 -0.34720353 2.83929921 3.51547445 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 96489-71-3 91754 144211407 A A Pyridaben CC(C)(C)N2N=CC(SCc1ccc(cc1)C(C)(C)C)=C(Cl)C2=O Tox21_301090 -NCGC00253992-01 196714773 tox21-ror-cho-viability-p1 set2 -2.2 64.9095650958 -62.9091173598 -3.070550997 -65.9796683568 3.5722481694 0.9672670171 7.964E-7 -0.5327146 -3.68183536 -1.84013247 -3.32694334 -1.36674182 -3.76464505 -7.10439888 -3.02361718 0.72091273 -7.69988097 -3.46619557 -1.79970507 -5.61971465 -11.98287951 -49.98459724 1.127E-9 2.5189999999E-9 5.633E-9 1.26E-8 2.817E-8 6.2979999999E-8 1.408E-7 3.149E-7 7.041E-7 0.000001575 0.000003521 0.000007873 0.0000176 0.000039359999999 0.000088019999999 464930-42-5 44235958 144210555 A A SSR 240612 Cl.CC(C)N(C)C(=O)[C@@H](Cc2ccc(CN1[C@H](C)CCC[C@@H]1C)cc2)NC(=O)C[C@@H](NS(=O)(=O)c3cc4ccc(OC)cc4cc3)c5ccc6OCOc6c5 Tox21_300235 -NCGC00257300-01 196726528 tox21-ror-cho-viability-p1 set3 -1.2 4.8557733675 -48.164238597 -2.560385327 -50.724623924 4.4494702849 0.9690596331 0.0000054138 -4.36143052 -10.28692444 0 -1.98424652 -3.0697462 0 -0.93361004 -0.70932277 -1.76525235 -2.86554982 -12.35338188 -50.60385327 -47.11157629 12.83251614 -32.33824601 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 15625-89-5 27423 144213834 A A Trimethylolpropane triacrylate O=C(C=C)OCC(COC(=O)C=C)(CC)COC(=O)C=C Tox21_303527 -NCGC00256510-01 196726516 tox21-ror-cho-viability-p1 set3 4 -2.40581993 -0.62572408 -2.22992511 -1.67622534 -1.82512267 -2.10197675 3.49592456 -0.64118432 6.57555881 -1.37313355 -0.63450064 0.4732084 -3.74177109 -0.46412795 -3.71226065 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009217 622-97-9 12161 144213068 Fns 4-Methylstyrene Cc1ccc(C=C)cc1 Tox21_302751 -NCGC00256784-01 196726520 tox21-ror-cho-viability-p1 set3 4 3.67537916 1.35560148 -0.68874003 1.25979428 1.47307632 3.99324661 2.5055047 0.75881649 0.49120828 1.37007942 1.19738353 -2.00839342 1.80687804 -1.82567082 -1.74387816 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 3188-00-9 18522 144212917 F 2-Methyldihydrofuran-3(2H)-one CC1OCCC1=O Tox21_302600 -NCGC00256675-01 196726521 tox21-ror-cho-viability-p1 set3 4 -5.68069194 -6.73771147 -3.68314569 -4.92427228 0 -13.53541631 -2.38067495 0 0 0 -0.27734565 -4.55972893 -7.5649813 -9.86822552 -16.90672296 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008243 0.000018429999999 0.000041219999999 0.00009216 35250-53-4 61945 144213008 D Pyrazineethanethiol SCCc1cnccn1 Tox21_302691 -NCGC00091657-02 196726534 tox21-ror-cho-viability-p1 set3 4 26.87878379 9.05002046 9.86378841 9.19910581 1.97228625 2.13776503 1.42888644 0.27718823 -6.82302653 -1.34034261 -7.4806297 22.80731414 11.99288133 18.14481408 10.90442973 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 111-15-9 8095 144213989 FNS 2-Ethoxyethyl acetate CC(=O)OCCOCC Tox21_400028 -NCGC00249885-01 196716684 tox21-ror-cho-viability-p1 set2 4 2.9849294812 -12.761601308 4.5 -8.261601308 0.8999999999 0.8334569415 0.0036486355 0.44781822 1.64945275 4.15148665 6.22314855 6.95300365 5.68970496 5.63518751 5.99757416 1.09922765 -0.01801164 -1.11119538 -1.62395035 -3.86818022 -6.80925061 -7.71800109 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 4245-41-4 9818306 170465258 F A Estradiol acetate CC(=O)Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)CC[C@@H]12)c4cc3 Tox21_113661 -NCGC00166047-03 196716681 tox21-ror-cho-viability-p1 set2 4 2.94144431 -5.36104695 -5.50636177 2.41888647 -5.07286153 -5.12378326 -0.5494521 -2.02252085 -5.66493867 1.26373622 -0.47160701 -0.34397611 -0.15897385 1.35064463 2.30443203 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 13426-94-3 9855548 170466761 Z N-Methylbenzylamine hydrochloride Cl.CNCc1ccccc1 Tox21_111541_1 -NCGC00262963-01 196716688 tox21-ror-cho-viability-p1 set2 4 3.85970747 1.33865714 2.03464059 -1.00294859 1.35198036 -4.56857347 -1.72770264 -0.99872279 0.98576199 0.00657329 0.83934679 4.9297709 4.77125837 0.74047189 1.25731047 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69123-90-6 50312 170466497 Ac F Fiacitabine IC1=CN(C(=O)N=C1N)[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F Tox21_113954 -NCGC00253672-01 196717079 tox21-ror-cho-viability-p1 set2 4 0.65622308 1.25427699 1.81747545 3.12506056 2.81820714 1.00978922 0.01717571 -2.60719006 0.56765769 0.13521026 1.97962988 0.52463744 -0.77889634 3.00894582 2.13589293 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 42399-49-5 2733673 170466764 A A (2S,3s)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5h)-one COc1ccc(cc1)[C@@H]2Sc3ccccc3NC(=O)[C@@H]2O Tox21_113796 -NCGC00167448-02 196717092 tox21-ror-cho-viability-p1 set2 4 -7.11680455 0.29168844 -4.69870735 0.20710907 0.11458241 -1.99884604 -6.81088732 -5.35258307 0.0737627 0.3260331 1.51132529 0.04404718 0.01572577 0.60706034 0.56372439 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 41826-92-0 5536 170465772 A Trepibutone CCOc1cc(OCC)c(cc1OCC)C(=O)CCC(=O)O Tox21_112452_1 -NCGC00015822-15 196717095 tox21-ror-cho-viability-p1 set2 4 0.12842524 -0.45152979 0.05690729 4.40210138 6.98472117 4.12014579 6.50152754 5.5539063 2.51824587 0.7603178 2.77852001 1.51820103 2.59332532 2.27923675 1.25696111 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 91-84-9 4992 170464656 A Pyrilamine COc1ccc(cc1)CN(CCN(C)C)c2ccccn2 Tox21_110230_1 -NCGC00183876-03 196717923 tox21-ror-cho-viability-p1 set2 4 1.36170836 1.0477024 -6.17390207 2.21137779 1.49109438 -0.3602727 1.53255714 -1.12328769 -5.67425424 0.13057152 1.69463942 -0.43565945 0.90313824 -0.21153936 1.58165033 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 202138-50-9 5486830 170465338 A Tenofovir disoproxil fumarate O=C(O)C=CC(=O)O.CC(C)OC(=O)OCOP(=O)(OCOC(=O)OC(C)C)CO[C@H](C)Cn2cnc1c(N)ncnc12 Tox21_113627_1 -NCGC00178043-05 196717508 tox21-ror-cho-viability-p1 set2 4 3.11759949 2.5976498 2.21395319 1.32103759 3.53173093 1.99641348 4.50662122 2.76621704 -3.32808907 -0.4009046 -0.04697345 -0.80358293 0.18658036 0.27022512 1.63288642 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 543-15-7 10969 170466504 Z Heptaminol hydrochloride Cl.CC(C)(O)CCCC(N)C Tox21_111391_1 -NCGC00090972-03 196717514 tox21-ror-cho-viability-p1 set2 4 -2.2172403 -4.41021697 -3.05809901 -3.75627818 -2.77713904 -3.2420649 -3.55346026 -0.02044972 1.64167176 -2.20219341 -1.09882137 -2.25721124 -2.23449126 0.85219099 0.66608718 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-21-5 612 170466852 Fc Lactic acid O=C(O)C(C)O Tox21_111049_1 -NCGC00167524-02 196717515 tox21-ror-cho-viability-p1 set2 4 33.4914596268 -19.143941228 0.5 -18.643941228 4.9549173134 0.5842320901 0.1088753334 -6.14962273 1.53981031 0.21734139 -5.87721291 -0.04049601 0.15782546 -0.25992469 -2.84029763 6.26446793 1.65599862 2.94625739 4.28760066 0.53969781 1.92386563 -15.53661769 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 78613-35-1 54260 170466078 A Amorolfine hydrochloride C[C@H]2CN(CC(C)Cc1ccc(cc1)C(C)(C)CC)C[C@@H](C)O2 Tox21_112521_1 -NCGC00095107-09 196717930 tox21-ror-cho-viability-p1 set2 4 -1.42155317 -1.8853352 0.412167 -0.90803487 -2.69892805 -1.8202904 -0.25185871 1.44265945 1.09672705 -4.82520748 1.14866884 -3.23168183 -2.2713417 1.19978138 -0.43314423 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 21187-98-4 3475 170465698 A Gliclazide Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2 Tox21_110590_1 -NCGC00160624-04 196717935 tox21-ror-cho-viability-p1 set2 4 2.39792324 -6.11720056 1.67538356 0.76804169 -0.37526963 -1.72102391 -2.48118289 0.11097817 -0.02568364 -2.15329572 -5.31964661 -0.29644135 -7.30638306 -6.40727154 -3.39374212 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 59-06-3 6034 170466827 A Ethopabate CCOc1cc(ccc1C(=O)OC)NC(C)=O Tox21_111943_1 -NCGC00091468-02 196718333 tox21-ror-cho-viability-p1 set2 4 -4.51024824 -0.6750653 -5.25614041 -1.18224394 -3.73478276 -5.79329204 -9.14580318 -1.47952461 -2.74015991 -10.7728839 1.86080439 -1.9924191 -2.57717141 -5.34036786 -0.02536336 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 106-47-8 7812 144213991 A A 4-Chloroaniline Nc1ccc(Cl)cc1 Tox21_400030 -NCGC00257064-01 196718338 tox21-ror-cho-viability-p1 set2 4 1.06596524 -0.66010908 0.19814217 1.0968736 -0.42942546 -4.89712536 0.7764552 -0.95499532 -4.77815904 -4.66624134 -1.08878947 -0.42723696 0.3912039 1.54282259 2.29728395 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 1333-39-7 11867 144213413 A A Phenolsulfonic acid Oc1ccccc1S(O)(=O)=O Tox21_303096 -NCGC00253637-01 196717010 tox21-ror-cho-viability-p1 set2 4 1.11185835 -1.52221352 1.07140119 5.74367819 5.69712335 4.36535862 2.59272599 3.44138738 3.15570598 2.32530623 2.16288518 0.49286503 0.89779789 0.90687456 0.00253374 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 114772-53-1 145512 170466769 F A 4'-Methylbiphenyl-2-carbonitrile Cc1ccc(cc1)c2ccccc2C#N Tox21_113764 -NCGC00015060-14 196720349 tox21-ror-cho-viability-p1 set3 4 0.0038218028 9.3273602319 -11.3273602319 -2 3.9899729863 0.5592440597 0.1290205346 -10.30668877 -10.68946686 -2.39343649 -0.62037032 -3.97330087 -3.40955394 -0.14078168 -0.5085946 -6.18294039 3.31100387 0.76527627 -1.4286427 -2.93772032 -6.90154497 0.17243091 1.171E-9 2.6189999999E-9 5.857E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.274E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.0000183 0.000040929999999 0.000091519999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00018295-05 196717023 tox21-ror-cho-viability-p1 set2 4 0.3349145963 -4.7975249399 4 -0.7975249399 4.9549173134 0.696013718 0.0409692836 2.94059635 2.49848768 0.82557019 4.82499683 4.69323249 7.37245616 3.96519005 4.32555478 0.88134196 -0.0058923 -0.42590209 0.30990387 -2.74793745 0.08998395 -2.286148 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 579-56-6 11368 170465968 A Isoxsuprine hydrochloride Cl.Oc1ccc(cc1)C(O)C(C)NC(C)COc2ccccc2 Tox21_110467_1 -NCGC00263584-01 196717005 tox21-ror-cho-viability-p1 set2 4 2.17159122 1.65472282 -0.30905528 3.00245939 4.35036403 -0.15187215 5.0974848 -0.09708948 1.01271341 -0.92932223 0.11082845 1.09154898 0.1301667 0.56132228 1.809609 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 150915-40-5 60946 170465092 A Tirofiban hydrochloride monohydrate Cl.O.O=C(O)[C@@H](NS(=O)(=O)CCCC)Cc1ccc(cc1)OCCCCC2CCNCC2 Tox21_112980_1 -NCGC00244579-01 196717016 tox21-ror-cho-viability-p1 set2 -3 68.5896218971 -59.2964057502 -2.111676385 -61.4080821352 4.5044702849 0.9364001067 0.0000309105 -2.6794443 -1.16735472 -0.20752527 0.30802756 -0.75964726 -4.26469466 1.98336533 -1.44289993 -0.35801908 -10.13404399 -0.42015291 -3.27303401 -7.94768725 -7.16378801 -49.13339852 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 60-57-1 969491 144213990 D Dieldrin ClC1=C(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]4[C@@H]3C[C@@H]([C@H]2O[C@H]23)[C@@H]45 Tox21_400029 -NCGC00263461-01 196717431 tox21-ror-cho-viability-p1 set2 4 0.26603212 6.0723251159 -3.0723251159 3 4.9549173134 0.5249532034 0.1576887726 -6.10659001 -0.80054177 -0.30234466 -3.98307816 -0.2596404 -6.31027093 -0.09137823 -5.23084917 3.90809315 0.80744469 5.29086313 0.62254555 0.16406202 1.74822291 7.80767031 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 16595-80-5 27944 170465293 A Levamisole hydrochloride Cl.N1=C3SCCN3C[C@@H]1c2ccccc2 Tox21_111282_1 -NCGC00093926-05 196717434 tox21-ror-cho-viability-p1 set2 4 1.2999966 -1.87675458 -1.97853684 -1.64003134 -2.06590686 -1.4590475 -2.51137463 -4.36210356 1.25416177 -3.02701656 -3.3188956 -1.58869389 0.98388284 -0.38504338 1.99475015 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 3094-09-5 18343 170465861 A Doxifluridine FC1=CN(C(=O)NC1=O)[C@@H]2O[C@H](C)[C@@H](O)[C@H]2O Tox21_111231_1 -NCGC00016285-05 196717442 tox21-ror-cho-viability-p1 set2 4 -1.28778278 -0.83121603 1.10040794 3.44390144 4.49041276 3.66303833 8.0351402 8.15054083 1.88501217 1.10223011 -1.1433675 -1.23597548 3.63293559 2.32836273 3.0475915 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 63-74-1 5333 170464653 A Sulfanilamide Nc1ccc(cc1)S(=O)(N)=O Tox21_110351_1 -NCGC00263858-02 196717836 tox21-ror-cho-viability-p1 set2 4 -2.72185877 -1.19610013 -1.80911055 -0.28164362 -0.68835662 -2.356127 -0.12057515 1.11334 -1.70774637 1.71391874 0.64188279 -3.00705389 0.79215031 0.41462117 2.56733551 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 41575-94-4 426756 170464868 F Carboplatin O=C2O[Pt](N)(N)OC(=O)C12CCC1 Tox21_112586_1 -NCGC00263655-01 196717853 tox21-ror-cho-viability-p1 set2 4 0.03066296 1.21019524 0.65409592 3.707558 2.86441544 3.73997456 1.61434971 0.18258701 -0.54087602 1.08105879 -0.36689236 2.62775363 1.72274768 2.64016728 2.73229607 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 102518-79-6 854026 170466837 A Huperzine A CC2=C[C@H]\3CC=1NC(=O)C=CC=1[C@@](N)(C2)C/3=C\C Tox21_111603_1 -NCGC00066947-05 196718254 tox21-ror-cho-viability-p1 set2 4 -1.77563596 -1.30331451 0.25667935 -5.17839645 1.18145193 -3.99220626 -0.64945876 1.64656773 -0.27154158 -4.43720364 -3.9852269 -2.98101933 -2.57425045 1.15730792 2.56316009 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00257073-01 196718270 tox21-ror-cho-viability-p1 set2 4 0.14219054 2.55196177 0.03562147 2.56337934 -0.81732006 -0.24082693 1.64716901 -0.58648087 -8.18213021 -0.01728249 -6.94762548 5.08344426 0.80562048 4.63570973 2.52087023 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 108-21-4 7915 144213604 Fns Isopropyl acetate CC(=O)OC(C)C Tox21_303287 -NCGC00258569-01 196716435 tox21-ror-cho-viability-p1 set2 4 2.65115941 -5.30898 -5.88794446 -1.67326094 -1.6243409 -5.32560671 -3.08520356 0.29282428 -4.79221938 -0.14582889 -3.81812322 -0.05247435 0.41150878 0.60965416 -3.26423944 1.166E-9 2.606E-9 5.8279999999E-9 1.303E-8 2.9139999999E-8 6.516E-8 1.457E-7 3.2579999999E-7 7.285E-7 0.000001629 0.0000036429999999 0.0000081449999999 0.00001821 0.00004073 0.00009106 6201-87-2 22574 144208214 A A 5-Amino-3-sulfosalicylic acid Oc1c(cc(N)cc1S(O)(=O)=O)C(=O)O Tox21_201016 -NCGC00066947-05 196716442 tox21-ror-cho-viability-p1 set2 4 0.74386686 -0.5098371 0.18056882 -2.82316135 -1.65696611 -1.89867838 0.20250119 -0.53815806 -0.78798469 -2.14390183 -0.24573187 0.56871922 -1.38645845 -2.84316959 1.82002871 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 55219-65-3 41368 144214038 A A Triadimenol CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 Tox21_400077 -NCGC00257962-01 196715606 tox21-ror-cho-viability-p1 set2 4 3.21653413 0.62047591 1.80414793 -1.11433969 1.40280755 1.2062424 1.88997838 2.57310594 -2.02915702 -0.62621968 -0.6617697 -7.77176564 0.98739796 2.91725321 1.94726709 1.164E-9 2.603E-9 5.8199999999E-9 1.301E-8 2.91E-8 6.507E-8 1.4549999999E-7 3.254E-7 7.275E-7 0.0000016269999999 0.0000036379999999 0.000008134 0.00001819 0.00004067 0.00009094 598-77-6 11733 144207606 A A 1,1,2-Trichloropropane CC(Cl)C(Cl)Cl Tox21_200408 -NCGC00090702-02 196716021 tox21-ror-cho-viability-p1 set2 4 -2.74017454 0.65246601 -3.79911622 -1.7991686 -4.79355818 -4.53560986 -3.04166182 -2.3153487 1.07262527 -0.19799447 -1.1553402 -2.35728529 -1.20721358 2.54754459 -4.72679971 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2835-95-2 17818 144213994 A D 5-Amino-2-methylphenol Nc1cc(O)c(C)cc1 Tox21_400033 -NCGC00258709-01 196716445 tox21-ror-cho-viability-p1 set2 4 1.22074555 5.97652356 1.28603887 2.98488285 5.37854407 4.57130037 1.3427328 4.60862477 1.85503423 2.05998438 2.93769463 7.75812649 0.05122586 0.53245693 2.69132318 1.156E-9 2.586E-9 5.7819999999E-9 1.293E-8 2.891E-8 6.465E-8 1.446E-7 3.232E-7 7.228E-7 0.000001616 0.0000036139999999 0.000008081 0.000018069999999 0.0000404 0.000090349999999 108-09-8 7908 144208355 FNS 1,3-Dimethylbutylamine CC(C)CC(C)N Tox21_201157 -NCGC00258157-01 196716446 tox21-ror-cho-viability-p1 set2 -1.1 9.6983951998 -82.2822224147 -0.4236190679 -82.7058414826 3.0654483358 0.9986927345 0 0.79936182 -0.87867085 -1.45920793 -1.43478911 -1.53198996 1.19124805 -0.79882343 -1.15664674 1.16245466 -0.22208478 -5.59555582 -29.39658089 -72.85023029 -83.04494263 -82.20487828 1.181E-9 2.6419999999E-9 5.9069999999E-9 1.3209999999E-8 2.953E-8 6.604E-8 1.4769999999E-7 3.302E-7 7.3829999999E-7 0.000001651 0.000003692 0.000008255 0.00001846 0.00004127 0.00009229 375395-33-8 16211009 144207801 A A Methyltrioctylammonium bis(trifluoromethylsulfonyl)imide FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC Tox21_200603 -NCGC00160665-02 196716845 tox21-ror-cho-viability-p1 set2 -3 33.4914596268 -86.6896040469 3.4490887665 -83.2405152804 4.9549173134 0.971995458 3.281E-7 0.67403759 2.3129308 3.63527172 4.53940002 6.70672183 8.00022881 4.49137653 4.80046966 1.12480932 -0.01397724 -0.23091924 -0.04082805 1.67924461 2.75503259 -73.01799586 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 33743-96-3 36303 170466529 B Proroxan O=C(CCN1CCC(C1)c2ccccc2)c3ccc4OCCOc4c3 Tox21_111970_1 -NCGC00015273-19 196716850 tox21-ror-cho-viability-p1 set2 4 -4.36835354 1.85195551 -0.79418396 -5.09361444 -0.73301746 -7.72090218 -3.82061708 -0.82562771 1.16777745 -0.77952694 0.2888651 0.97718218 1.1349835 0.87686669 -8.31497143 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 50-53-3 2726 170465371 A Chlorpromazine CN(C)CCCN1c3ccccc3Sc2ccc(Cl)cc12 Tox21_110120_1 -NCGC00181034-03 196717261 tox21-ror-cho-viability-p1 set2 4 0.96127668 -0.64812401 3.7789335 3.61408553 8.26621092 5.61227553 6.37082964 5.16640641 -0.66776823 0.41221993 -0.38757149 0.40892894 1.46764858 0.4108097 0.87191823 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 145858-50-0 71454 170465610 A Liarozole Cl.Clc1cc(ccc1)C(c2ccc3ncnc3c2)n4ccnc4 Tox21_112683_1 -NCGC00164606-02 196717267 tox21-ror-cho-viability-p1 set2 4 -1.44276297 -2.99916901 -1.34690717 -1.55847556 -2.2506138 -2.78279385 -2.32695048 -0.76106787 0.23493939 -0.93208972 -1.86253622 -2.55399092 1.37738827 -2.79704421 -1.53357974 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14368-24-2 26650 170466452 A Trocimine COc1cc(cc(OC)c1OC)C(=O)N2CCCCCCC2 Tox21_112228_1 -NCGC00090987-05 196717271 tox21-ror-cho-viability-p1 set2 4 3.55349414 3.32983636 3.5643245 2.8595766 3.23258816 4.58855383 3.71686658 -1.08623821 1.31132451 0.6756816 0.85314432 -0.9066853 1.51647353 2.38420771 3.55218909 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 86-87-3 6862 170466030 A 1-Naphthaleneacetic acid O=C(O)Cc2cccc1ccccc12 Tox21_111051_1 -NCGC00160628-03 196717281 tox21-ror-cho-viability-p1 set2 4 -0.19044607 1.52377027 1.72023241 4.11051347 4.72178568 5.4400122 3.79921723 6.02835462 -1.40530711 3.91265979 0.12906032 1.76223516 0.91872289 3.61567266 3.77668816 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 153-18-4 5280805 170465691 A Rutin trihydrate Oc1ccc(cc1O)C=4Oc5cc(O)cc(O)c5C(=O)C=4O[C@@H]3O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]3O Tox21_111945_1 -NCGC00261978-01 196717679 tox21-ror-cho-viability-p1 set2 4 -0.50966868 -0.97283077 3.18416159 1.07250621 1.62743835 2.02965622 6.3711497 -0.37272334 2.56729018 -1.55643885 -1.24081313 0.07882062 2.89775981 2.88999079 -0.41353782 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 519-88-0 10616 170466444 A A Ambucetamide COc1ccc(cc1)C(C(N)=O)N(CCCC)CCCC Tox21_113898 -NCGC00256522-01 196718551 tox21-ror-cho-viability-p1 set2 4 2.16052824 1.19838406 -0.51200667 0.54249525 -1.13149217 4.39837734 -1.25365424 5.90342773 1.06523757 0.01317125 5.96325219 6.19495939 2.87715272 1.37069316 -1.65869667 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 122-78-1 998 144213262 Z F Phenylacetaldehyde O=CCc1ccccc1 Tox21_302945 -NCGC00015060-14 196724969 tox21-ror-cho-viability-p1 set3 4 76.4894813809 20.0566928559 -0.0566928559 20 4.9549173134 0.4904909849 0.1874300948 -5.22046624 -1.6606657 2.33440114 -5.88057738 2.66162057 -4.74609694 3.73817814 0.24832605 -3.58658144 3.17980785 2.87075262 6.9991592 -1.7913247 0.72208846 14.19222459 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.336E-7 0.0000016399999999 0.000003668 0.000008202 0.00001834 0.000041009999999 0.000091709999999 446-86-6 2265 144213985 A A Azathioprine O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12 Tox21_400024 -NCGC00159417-06 196724957 tox21-ror-cho-viability-p1 set3 -2.1 27.9459419698 -81.9220518194 1.631826773 -80.2902250464 2.3031167061 0.9775486514 9.25E-8 -4.25496944 0.28591922 -2.21247075 -2.08851001 3.90892434 3.26414805 5.04608118 3.30866952 4.78906288 2.09765238 -0.65244645 -2.74492235 -22.02045809 -51.55058656 -83.63565109 1.203E-9 2.6909999999E-9 6.0169999999E-9 1.345E-8 3.0079999999E-8 6.7269999999E-8 1.504E-7 3.3629999999E-7 7.521E-7 0.000001682 0.0000037599999999 0.000008409 0.0000188 0.00004204 0.00009401 3380-34-5 5564 144214040 A A Triclosan Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O Tox21_400079 -NCGC00165907-03 196724977 tox21-ror-cho-viability-p1 set3 -3 33.4914596268 -60.791812014 9 -51.791812014 4.9549173134 0.5533879341 0.1322420273 3.60002999 2.81818564 1.96692403 -1.24948483 -1.92597686 1.91873787 -0.08700469 8.59182742 8.01385042 -0.61627623 15.17483878 18.13015941 34.66534668 34.23242967 -50.23486062 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 78-41-1 6536 170466640 A Triparanol Clc3ccc(CC(O)(c1ccc(C)cc1)c2ccc(OCCN(CC)CC)cc2)cc3 Tox21_112268_1 -NCGC00263922-02 196725375 tox21-ror-cho-viability-p1 set3 4 0.004216325 13 0 13 1.21 0.4163414272 0.2562240583 1.8837159 0.09762986 7.32584545 6.72612033 12.82919113 3.00038561 22.35471828 16.70999839 9.09323672 17.2648957 5.92882238 20.04697136 10.44485188 10.86587813 11.49858799 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 133099-07-7 444030 170465079 Ac Darifenacin hydrobromide Br.NC(=O)C(c1ccccc1)(c2ccccc2)[C@@H]3CCN(C3)CCc4cc5CCOc5cc4 Tox21_112636_1 -NCGC00016530-07 196725382 tox21-ror-cho-viability-p1 set3 -2.4 23.7101376556 -35.071301272 1.5 -33.571301272 1.1340999999 0.8720560616 0.0010755785 2.5146636 1.4891213 0.64166491 -0.82192745 -1.4288972 0.93262248 5.57676046 -1.50935458 6.03561605 1.20270495 0.438522 -7.02365164 -7.56934022 -10.53521579 -24.64275106 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 651-06-9 5326 170465428 A Sulfameter O=S(=O)(Nc1ncc(cn1)OC)c2ccc(N)cc2 Tox21_110478_1 -NCGC00016338-10 196725386 tox21-ror-cho-viability-p1 set3 4 -7.14759346 0 5.06272588 0.48845937 -11.45635608 5.68290491 -11.98717571 -10.35529059 -4.91685058 0.69509061 1.78886521 4.87893563 0.25737223 -0.01228507 3.38800525 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 85-79-0 3025 170464829 A Dibucaine CCN(CC)CCNC(=O)c1cc(OCCCC)nc2ccccc12 Tox21_110381_1 -NCGC00261983-01 196725392 tox21-ror-cho-viability-p1 set3 2.2 21.1316824289 53.2955917362 -2.60494062 50.6906511162 3.0654483358 0.9702082502 4.67E-7 -7.17078385 0 -1.59795756 -3.01221101 0.52481983 -2.9458637 -1.72990834 -3.75753757 -5.72254681 -5.93092673 -1.19516548 1.42091784 -0.70113867 22.20035713 46.75554031 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 67765-04-2 208916 170466287 A A Enefexine CCc1ccc(cc1)C2CCNCC2 Tox21_113902 -NCGC00015884-13 196725789 tox21-ror-cho-viability-p1 set3 4 -6.53856461 0 11.57798781 8.31973758 14.70604128 14.17635947 11.90533011 8.15981655 0.77727412 4.4948012 2.04481845 5.00590234 4.71288108 -2.49900281 3.95000901 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 54187-04-1 68712 170466278 A Rilmenidine C1CC1C(NC2=NCCO2)C3CC3 Tox21_110254_1 -NCGC00262941-01 196725788 tox21-ror-cho-viability-p1 set3 1.4 0.0298492948 21.87849584 -8.37849584 13.5 2.1876167061 0.7806023487 0.0116262727 0 -11.5654132 -11.24397444 -10.81291711 -2.9321342 4.02377288 11.90933744 9.2518556 10.63254322 5.36819184 15.37027382 6.13355725 17.47246575 19.90204926 22.46450735 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 118635-68-0 13713368 170465754 A A Ipenoxazone hydrochloride Cl.CC(C)C[C@H]3N(CCCN1CCCCCC1)C(=O)O[C@H]3c2ccccc2 Tox21_113934 -NCGC00260422-01 196703015 tox21-ror-cho-viability-p1 set1 4 -3.77749966 -3.48406422 2.0983248 -0.15843318 0.18836265 -0.46523917 -7.04896509 -2.6565641 -2.38451278 -5.02580923 -1.72410908 0.1441946 0.22874256 -6.40119495 -3.0186401 1.172E-9 2.6199999999E-9 5.858E-9 1.31E-8 2.929E-8 6.549E-8 1.464E-7 3.275E-7 7.322E-7 0.000001637 0.0000036609999999 0.000008186 0.00001831 0.000040929999999 0.00009153 91-56-5 7054 144210074 A A Isatin O=C1c2ccccc2NC1=O Tox21_202876 -NCGC00258400-01 196702607 tox21-ror-cho-viability-p1 set1 4 1.9527936478 -6.2232376679 2.5 -3.7232376679 4.9549173134 0.3883604337 0.3004731831 2.67027662 2.48976185 1.98699461 6.52752836 0.88981528 0.61835127 2.37874796 0 6.73798081 1.27008625 -10.18603139 3.28780691 -8.34016328 0.12497988 3.23406869 1.19E-9 2.66E-9 5.948E-9 1.3299999999E-8 2.9739999999E-8 6.6509999999E-8 1.487E-7 3.325E-7 7.436E-7 0.000001663 0.000003718 0.000008313 0.00001859 0.00004157 0.000092939999999 2104-09-8 16420 144208044 A A 2-Amino-4-(p-nitrophenyl)thiazole Nc1nc(cs1)c2ccc(cc2)[N+]([O-])=O Tox21_200846 -NCGC00258449-01 196702611 tox21-ror-cho-viability-p1 set1 4 6.9777110393 -10.900928976 -2 -12.900928976 4.9549173134 0.5993874002 0.1117473575 0.49512025 -5.83964387 -0.73909608 -2.22097654 -4.74867432 -1.97387189 1.1741672 -2.03045938 -3.08192399 -4.5241858 -0.78103888 -9.83084718 -20.33410748 -5.93523147 -5.95879633 1.197E-9 2.676E-9 5.983E-9 1.338E-8 2.992E-8 6.689E-8 1.496E-7 3.345E-7 7.479E-7 0.0000016719999999 0.00000374 0.0000083619999999 0.000018699999999 0.00004181 0.000093489999999 95-31-8 7230 144208093 A F N-tert-Butyl-2-benzothiazolesulfenamide CC(C)(C)NSc1nc2ccccc2s1 Tox21_200895 -NCGC00259528-01 196721668 tox21-ror-cho-viability-p1 set3 -2.2 37.6170326111 -39.8217252099 0.8462765989 -38.975448611 0.9999999999 0.8353856812 0.0034260449 -0.85272776 -0.48425724 8.04991838 8.80015801 -3.30623332 -0.00392655 -2.89181597 0.15662791 -3.08256402 -0.77064113 -1.64721467 -10.35191904 -12.70386718 -14.61100077 -34.27431001 1.272E-9 2.8449999999E-9 6.361E-9 1.422E-8 3.181E-8 7.112E-8 1.59E-7 3.556E-7 7.951E-7 0.000001778 0.000003976 0.00000889 0.00001988 0.00004445 0.00009939 1260-17-9 10255083 144209177 A A Carminic acid O[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)c4c(O)c3C(=O)c2c(C)c(C(=O)O)c(O)cc2C(=O)c3c(O)c4O Tox21_201979 -NCGC00254328-01 196720867 tox21-ror-cho-viability-p1 set3 4 -12.428307 -14.74748004 -3.7971889 -3.52008126 -7.32959872 -10.86788775 -4.06855093 -1.59120583 -3.16462247 -2.42462212 -3.94327834 -2.23624071 -9.16315834 -6.00285763 -7.09766198 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10605-21-7 25429 144210796 A A Carbendazim O=C(OC)Nc1nc2ccccc2n1 Tox21_300478 -NCGC00258983-01 196721252 tox21-ror-cho-viability-p1 set3 4 25.3298021122 11.238232044 -4.738232044 6.5 4.9549173134 0.7146903669 0.0321230753 -7.47872461 -5.38178883 -1.29405905 -6.78175533 -3.60913841 -8.11519337 -5.79406392 -3.60081248 -6.95530844 0.43818355 -4.34649038 -3.06668403 -3.73116441 8.1451951 4.80964924 1.22E-9 2.7279999999E-9 6.099E-9 1.3639999999E-8 3.049E-8 6.819E-8 1.525E-7 3.409E-7 7.6239999999E-7 0.000001705 0.0000038119999999 0.000008523 0.000019059999999 0.000042619999999 0.00009529 52918-63-5 40585 144208630 A A Deltamethrin Br/C(Br)=C/[C@H]3[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc1ccccc1)c2)C3(C)C Tox21_201432 -NCGC00259737-01 196721664 tox21-ror-cho-viability-p1 set3 4 30.0157767891 15.388842856 -7.388842856 8 4.9549173134 0.744293539 0.0213259076 -7.92800058 -6.08631661 -4.44935288 -2.6211915 -7.62783764 -4.6097635 -7.46382607 -11.9392786 -8.61633084 -2.21162347 -8.42156395 -11.99070238 -8.08042716 6.37643106 7.7323973 1.16E-9 2.594E-9 5.7999999999E-9 1.297E-8 2.9E-8 6.485E-8 1.45E-7 3.2419999999E-7 7.2499999999E-7 0.000001621 0.000003625 0.000008106 0.000018129999999 0.00004053 0.000090629999999 80-26-2 111037 144209386 A A alpha-Terpinyl acetate CC(=O)OC(C)(C)C1CC=C(C)CC1 Tox21_202188 -NCGC00259754-01 196721674 tox21-ror-cho-viability-p1 set3 4 -18.66987569 -11.05090538 -11.19736554 -10.5756178 -14.47736882 -20.28578056 -10.82031821 -13.7214947 -24.77678525 -9.62817064 -12.39618515 -18.06159138 -12.91876381 -9.21277586 -16.63866778 1.148E-9 2.567E-9 5.7409999999E-9 1.284E-8 2.87E-8 6.418E-8 1.4349999999E-7 3.209E-7 7.176E-7 0.0000016049999999 0.0000035879999999 0.000008023 0.00001794 0.00004011 0.0000897 15972-60-8 2078 144209403 A B Alachlor ClCC(=O)N(COC)c1c(cccc1CC)CC Tox21_202205 -NCGC00258862-01 196722055 tox21-ror-cho-viability-p1 set3 4 -11.01776537 -8.91200909 -5.92705107 -4.0602241 -8.43632332 -16.41396907 -7.56633199 -6.16225932 -12.27666328 -4.58251367 -14.36834427 -8.50304271 -0.64025585 -4.10951257 -6.17387277 1.1779999999E-9 2.634E-9 5.891E-9 1.3169999999E-8 2.945E-8 6.586E-8 1.4729999999E-7 3.2929999999E-7 7.3629999999E-7 0.0000016459999999 0.0000036819999999 0.0000082319999999 0.000018409999999 0.000041159999999 0.00009204 61702-44-1 22584 144208508 A Fns 2-Chloro-1,4-diaminobenzene sulfate Nc1cc(Cl)c(N)cc1.O=S(=O)(O)O Tox21_201310 -NCGC00090942-03 196722060 tox21-ror-cho-viability-p1 set3 -2.1 61.130564862 -92.8761515316 -3.100546534 -95.9766980656 3.9899729863 0.9287817454 0.0000562254 -16.52517581 -11.34463995 -1.80143325 -2.2761667 -5.0828826 2.94578317 -3.0009193 2.24938787 -7.67137746 -1.97047678 1.71742967 4.96251226 -0.49987984 -19.13374608 -81.04295308 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 65558-69-2 171660 144214004 A B 1,3-Diiminobenz(f)isoindoline N=C1NC(=N)c2cc3ccccc3cc12 Tox21_400043 -NCGC00259259-01 196722061 tox21-ror-cho-viability-p1 set3 4 27.667411695 10.584763356 -2.584763356 8 4.9549173134 0.4623569442 0.2132645999 -6.28292943 -2.25353362 0.6242366 7.18438633 -4.67643202 -6.35125917 -6.1250373 -2.71483112 -7.57063613 0.51145938 -0.55991789 -2.21654406 -4.04759546 9.58181439 6.02096323 1.193E-9 2.667E-9 5.963E-9 1.333E-8 2.981E-8 6.6659999999E-8 1.491E-7 3.3329999999E-7 7.4529999999E-7 0.0000016669999999 0.0000037269999999 0.000008333 0.00001863 0.00004167 0.00009317 770-35-4 92839 144208908 A A 1-Phenoxy-2-propanol CC(O)COc1ccccc1 Tox21_201710 -NCGC00259568-01 196722062 tox21-ror-cho-viability-p1 set3 -2.4 76.4894813809 -27.196999276 -2.5 -29.696999276 4.9549173134 0.7012689515 0.0376218288 -7.42804849 -6.87728109 3.13797828 -3.27406044 1.90193609 -4.99367685 -1.45991871 0.85479045 -0.38062113 -3.65759683 -7.8208613 -0.37563473 -4.70195129 -1.23110078 -23.08083273 1.1739999999E-9 2.625E-9 5.8689999999E-9 1.312E-8 2.9349999999E-8 6.562E-8 1.4669999999E-7 3.281E-7 7.337E-7 0.000001641 0.000003668 0.000008203 0.00001834 0.000041009999999 0.000091709999999 87-25-2 6877 144209217 A A Ethyl anthranilate Nc1ccccc1C(=O)OCC Tox21_202019 -NCGC00091205-03 196725167 tox21-ror-cho-viability-p1 set3 4 0.0091474934 15.6688585479 -4.6688585479 11 0.4999999999 0.4229887176 0.2668123832 -2.22404879 0.18844826 -0.34765416 6.1825448 8.27466295 1.54316911 5.72355116 17.180532 4.31923228 4.31745452 9.44917612 17.27898684 3.09537783 15.32087117 1.61411947 8.4349999999E-10 1.886E-9 4.218E-9 9.431E-9 2.109E-8 4.7149999999E-8 1.0539999999E-7 2.358E-7 5.272E-7 0.000001179 0.000002636 0.000005894 0.00001318 0.000029469999999 0.0000659 602-01-7 11761 144213995 A 2,3-Dinitrotoluene O=[N+]([O-])c1cccc(C)c1[N+]([O-])=O Tox21_400034 -NCGC00260658-01 196724758 tox21-ror-cho-viability-p1 set3 4 0.3349145963 -6.9826882599 6 -0.9826882599 4.9549173134 0.4830652984 0.1942539621 -2.66522446 3.20090106 1.63662692 11.445782 10.32677855 8.95751359 7.23767712 7.34900054 1.24127522 -0.24859911 -1.5845545 1.74569118 -4.98557355 -0.39612724 -1.56619281 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 NOCAS_49554 144210311 M M NTP Mix24 AR2 2-EQP Tox21_203113 -NCGC00254401-01 196719957 tox21-ror-cho-viability-p1 set3 -2.1 30.6378586933 -65.735395757 11.959433297 -53.77596246 2.8472712143 0.914861404 0.0001422903 5.46035709 3.40795743 13.10051614 14.81600826 16.74386333 15.43511307 2.30367871 4.44418111 19.50790973 21.1772529 18.09147497 8.93046941 -1.09448422 -31.98760542 -58.01141304 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 112-42-5 8184 144210866 A A 1-Undecanol CCCCCCCCCCCO Tox21_300548 -NCGC00254599-01 196719528 tox21-ror-cho-viability-p1 set3 4 0.216899429 -10.157748572 0.5 -9.657748572 4.9549173134 0.3392800432 0.3452409499 -0.18405678 -1.98534399 5.04728803 -9.81522987 1.46960222 3.2952322 5.33686242 -18.62420851 5.31608276 -20.54812381 -8.71098033 -7.73376368 -7.82685976 -9.62682661 -0.91792804 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 52645-53-1 40326 144211008 I I Permethrin Cl/C(Cl)=C/C3C(C(=O)OCc2cccc(Oc1ccccc1)c2)C3(C)C Tox21_300691 -NCGC00254301-01 196719543 tox21-ror-cho-viability-p1 set3 4 37.5780357627 -15.688733576 -2 -17.688733576 0.7999999999 0.571838098 0.1193204977 -1.46166871 -4.0140987 -1.41508901 -5.45610626 1.89010952 -1.34174415 -3.41703498 -4.1100048 -6.01323283 0.3265085 -2.69080002 -4.12080552 -3.39246371 -6.64038602 -13.90727798 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 66456-53-9 53316391 144210648 F Adipic acid, polypropyleneglycol, laurate CC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCC(=O)O Tox21_300330 -NCGC00254436-01 196719547 tox21-ror-cho-viability-p1 set3 4 12.37780996 9.7900264 -1.56767344 4.67270658 -4.28645803 10.93648365 -5.11808295 7.50035957 12.19206333 9.72538116 -6.01171388 7.22600958 12.35761733 6.3638607 8.07423002 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-06-6 7366 144210858 FNS tert-Butylbenzene CC(C)(C)c1ccccc1 Tox21_300540 -NCGC00254612-01 196720357 tox21-ror-cho-viability-p1 set3 4 4.8557733675 -17.540259192 -2 -19.540259192 3.9294729863 0.7885267167 0.0100238565 -4.72355802 -10.46803734 2.28354017 0.78174138 -1.09084001 -0.68847923 2.33526843 -6.75676461 -0.35216753 0.77556121 -6.46992781 -16.58094965 -22.53179102 -23.36688266 -13.21884536 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 136-32-3 23662264 144211021 A A 2,4,5-Trichlorophenol sodium salt [Na+].[O-]c1cc(Cl)c(Cl)cc1Cl Tox21_300704 -NCGC00253942-01 196720373 tox21-ror-cho-viability-p1 set3 1.4 0.0068589622 26.8631426399 -22.8631426399 4 0.3 0.7701080648 0.0141025257 -12.23838765 -17.3859522 -6.22221958 -2.52948958 -8.00090042 -6.76569061 -2.30642079 -1.56060446 -2.7099837 -0.25604077 -1.89757525 0.27033029 2.33805268 0.76511506 6.2426129 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 78-63-7 6545 144210497 AC F 2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C Tox21_300177 -NCGC00254188-01 196720399 tox21-ror-cho-viability-p1 set3 4 -0.82969084 0.08728079 -6.54931849 1.89057542 -7.38232635 1.92024069 2.87671624 13.97958705 0.33750335 -9.70665066 -7.55412933 1.76600858 8.41595048 3.978324 6.45194623 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 101-86-0 7585 144210462 A A 2-Benzylideneoctanal O=CC(CCCCCC)=Cc1ccccc1 Tox21_300142 -NCGC00254130-01 196719965 tox21-ror-cho-viability-p1 set3 4 0.8241286912 7.301204152 1.198795848 8.5 4.4494702849 0.3629039131 0.3238307923 5.47953789 -3.2307693 5.57271735 1.9005291 -5.25100346 -2.66055495 1.19671027 6.60054406 1.07160064 15.93751087 3.75513618 5.46840878 4.12593607 13.09691115 -0.07486611 1.135E-9 2.5379999999E-9 5.674E-9 1.269E-8 2.837E-8 6.3439999999E-8 1.419E-7 3.1719999999E-7 7.093E-7 0.000001586 0.000003547 0.0000079299999999 0.000017729999999 0.000039649999999 0.00008866 1061517-62-1 44578765 144210584 A A PharmaGSID_47337 [Na+].O=C(c2cn(c1cccc(OCC)c1)c(n2)c3ccc(C)cc3)N4CCN(CC4)c6cc5ccccc5c(c6)C([O-])=O Tox21_300264 -NCGC00254514-01 196719988 tox21-ror-cho-viability-p1 set3 4 6.12124963 -1.04175419 3.66335187 12.45779053 -3.22565293 17.05891643 10.10620998 6.2759264 8.24137913 5.3792508 12.69293832 0.44293874 -4.2202289 8.31199403 6.65404712 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 57-63-6 5991 144210731 A A 17alpha-Ethinylestradiol Oc3cc4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@@]1(O)C#C)c4cc3 Tox21_300413 -NCGC00091483-03 196720398 tox21-ror-cho-viability-p1 set3 4 0.0343762429 17.675315572 -16.675315572 1 0.3 0.7192004238 0.0380418196 -12.36301552 -13.89609631 -6.95631249 -4.94540905 -12.04489436 -7.96609475 -3.43744285 -6.00210288 -5.6704528 -2.65824996 -0.48872488 -3.83220673 0.34779777 -1.22000215 -12.23027036 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 98-29-3 7381 144213964 A A 4-tert-Butylcatechol Oc1ccc(cc1O)C(C)(C)C Tox21_400003 -NCGC00254631-01 196720400 tox21-ror-cho-viability-p1 set3 4 0.0061130565 17.333745636 -19.490657744 -2.156912108 0.3 0.5728464141 0.1334231008 -12.90391145 -14.57554812 -10.55510116 -8.29293685 -9.68473716 -8.30060016 -3.03503163 -6.80522124 -3.94097688 -8.06857009 -0.13076009 -2.65610145 -6.6206696 -7.87798902 -27.05695803 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2642-82-2 17533 144211042 A A 2,2-Bis(4-chlorophenyl)ethanol Clc1ccc(cc1)C(CO)c2ccc(Cl)cc2 Tox21_300725 -NCGC00254214-01 196720803 tox21-ror-cho-viability-p1 set3 4 4.76649278 2.38835513 6.80786808 2.46869351 9.51751741 -0.47201288 0.11561821 7.49856397 7.91943773 6.37979616 21.47944157 12.00523924 5.05129275 11.72175954 4.74498443 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 95-80-7 7261 144210463 A A 2,4-Diaminotoluene Nc1cc(N)c(C)cc1 Tox21_300143 -NCGC00090874-04 196718513 tox21-ror-cho-viability-p1 set2 4 -3.30662803 -4.95990382 -4.41486272 -7.88215362 -4.792777 -3.81842232 -5.71875512 -0.38581329 -1.43451861 -1.82301276 -0.09115627 -1.6503082 -1.9244932 -0.85710549 -4.22274011 1.1919999999E-9 2.664E-9 5.9579999999E-9 1.332E-8 2.979E-8 6.661E-8 1.489E-7 3.33E-7 7.447E-7 0.000001665 0.000003724 0.000008326 0.00001862 0.00004163 0.00009309 51-03-6 5794 144214047 A A Piperonyl butoxide CCCc1cc2OCOc2cc1COCCOCCOCCCC Tox21_400086 -NCGC00256792-01 196718118 tox21-ror-cho-viability-p1 set2 4 -1.22847145 -0.54092807 0.67832696 0 0.71878668 -1.40782138 1.01823532 -1.83146566 1.57551393 -4.40135519 -1.44229768 1.77303086 0.2159382 1.19116584 2.54911978 1.18E-9 2.638E-9 5.8979999999E-9 1.319E-8 2.9489999999E-8 6.594E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.000003686 0.000008243 0.000018429999999 0.000041219999999 0.00009216 28588-74-1 34286 144213026 Fns 2-Methyl-3-furanthiol Cc1occc1S Tox21_302709 -NCGC00257236-01 196718512 tox21-ror-cho-viability-p1 set2 4 -0.72309118 0.06593594 3.21305438 1.74042587 -3.23171964 -2.93574884 -0.35363773 -6.05057576 1.38219754 1.64456843 -1.89702588 -6.13458886 3.47207381 -0.31242693 2.93163296 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 769-92-6 69861 144213670 A Ac 4-tert-Butylaniline CC(C)(C)c1ccc(N)cc1 Tox21_303353 -NCGC00256731-01 196718510 tox21-ror-cho-viability-p1 set2 4 5.4482673282 7.157314716 -3.657314716 3.5 4.9549173134 0.4371613857 0.2373791445 -0.01742618 1.12328386 -3.135549 -0.34681154 -6.98684736 -4.988078 -6.02336743 -10.96442893 1.45660415 -2.65296094 -5.53478631 4.80812418 2.29044456 1.55783205 4.59449596 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.374E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 93-51-6 7144 144212998 A A 2-Methoxy-4-methylphenol Oc1ccc(C)cc1OC Tox21_302681 -NCGC00257139-01 196718520 tox21-ror-cho-viability-p1 set2 4 0.02332899 0.0375255 1.06613392 3.74778426 3.54410231 6.30728306 -0.4111928 7.06580108 0.60735695 5.33956556 6.96335607 -1.26027117 -0.29163632 -0.33420396 -0.78522517 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3252-43-5 18617 144213358 F Fns Dibromoacetonitrile BrC(Br)C#N Tox21_303041 -NCGC00257069-01 196718534 tox21-ror-cho-viability-p1 set2 4 2.31156532 2.7468204 1.54574318 0.0665522 0.66396147 1.6772073 1.34749657 0.35800749 -2.76034577 -0.20919883 -0.35775778 2.90469249 3.23255587 2.41207907 -1.09957418 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 3085-30-1 16684880 144213521 F F Aluminum tributoxide CCCCO[Al](OCCCC)OCCCC Tox21_303204 -NCGC00256621-01 196718928 tox21-ror-cho-viability-p1 set2 4 -2.15648231 -3.33318026 1.86189968 0.55830251 -2.63932246 -1.3023101 -3.72040225 -2.90768371 0.12828404 -0.00416 -2.93070476 -3.20811496 -3.23488791 0.11904281 -2.1211363 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 2459-10-1 17159 144212766 A A Trimethyl benzene-1,2,4-tricarboxylate COC(=O)c1cc(ccc1C(=O)OC)C(=O)OC Tox21_302449 -NCGC00256550-01 196718937 tox21-ror-cho-viability-p1 set2 4 1.20402224 -0.51225474 0.88175878 3.5768629 0.8980717 3.94138452 3.21537553 8.91222154 1.4694029 4.31772488 5.75665791 4.68351656 2.45864319 1.98166408 0.54395676 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 13171-21-6 25750 144213165 A Ac Phosphamidon COP(=O)(OC)OC(C)=C(Cl)C(=O)N(CC)CC Tox21_302848 -NCGC00254236-01 196720245 tox21-ror-cho-viability-p1 set3 4 0.0061130565 15.585210484 -17.585210484 -2 0.6 0.6995983501 0.0385701297 -13.47676739 -14.65434207 -6.74258496 -5.24356833 -6.7963433 -9.116763 -4.30658974 -3.76270088 -0.24606402 1.18821117 -4.97833195 1.48250763 -3.06530538 -3.3380805 -3.93544122 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 41481-66-7 833466 144210946 A A 4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol] Oc1ccc(cc1CC=C)S(=O)(=O)c2cc(CC=C)c(O)cc2 Tox21_300629 -NCGC00163815-04 196719810 tox21-ror-cho-viability-p1 set3 -2.1 46.1533491938 -87.2972886834 4.047090129 -83.2501985544 2.2526478767 0.9558779187 0.0000042221 2.21356652 -2.2229751 7.39661696 -1.31463036 7.46769706 -3.93862888 10.308047 7.92464138 7.26487524 3.0762792 9.24360001 -1.46946325 -3.57193617 -39.21944681 -68.75015042 1.245E-9 2.7829999999E-9 6.223E-9 1.392E-8 3.112E-8 6.958E-8 1.556E-7 3.479E-7 7.779E-7 0.000001739 0.0000038889999999 0.0000086969999999 0.00001945 0.00004348 0.000097239999999 19044-88-3 29393 144214039 A A Oryzalin O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O Tox21_400078 -NCGC00254122-01 196720227 tox21-ror-cho-viability-p1 set3 4 -3.17532361 8.35789373 1.80554271 1.33688197 -3.34432792 0.10617422 8.82672162 -0.10824014 -4.58380464 -0.7439235 8.41392837 -2.56278206 7.6430415 -4.69879698 0.84994413 1.197E-9 2.6779999999E-9 5.987E-9 1.339E-8 2.994E-8 6.694E-8 1.497E-7 3.347E-7 7.4839999999E-7 0.000001673 0.000003742 0.000008367 0.00001871 0.00004184 0.00009355 822-06-0 13192 144210481 D Fns 1,6-Diisocyanatohexane O=C=N/CCCCCC\N=C=O Tox21_300161 -NCGC00254235-01 196720239 tox21-ror-cho-viability-p1 set3 4 -7.47654839 -12.0174214 -0.4777199 -7.66532697 -2.43302627 0.09267273 0.51624138 1.53145627 -7.27286618 -7.7759034 -3.79833949 -4.0692135 -6.57785118 -2.90728544 -1.35151275 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 83-41-0 6739 144210652 A A 1,2-Dimethyl-3-nitrobenzene Cc1c(C)cccc1[N+](=O)[O-] Tox21_300334 -NCGC00254107-01 196720247 tox21-ror-cho-viability-p1 set3 -1.1 4.8064345641 -105.3988088465 5.8706188029 -99.5281900436 0.8999999999 0.9623700358 0.0000017402 2.70350332 3.49467556 -1.11624101 10.85394754 8.94536926 -2.30444697 7.32392396 2.36712331 1.64842814 -41.09309507 -42.40198217 -52.41499241 -71.89612638 -85.94598744 -95.88457615 1.1699999999E-9 2.6159999999E-9 5.848E-9 1.3079999999E-8 2.9239999999E-8 6.539E-8 1.462E-7 3.269E-7 7.311E-7 0.000001635 0.0000036549999999 0.000008173 0.00001828 0.000040869999999 0.00009138 3811-73-2 19658 144210448 F Sodium (2-pyridylthio)-N-oxide [Na+].[O-][n+]1ccccc1[S-] Tox21_300128 -NCGC00257446-01 196726619 tox21-ror-cho-viability-p1 set3 -2.4 10.5302964679 -21.36266788 0 -21.36266788 1.826479391 0.9485608941 0.0000098668 -1.57512333 -1.42859096 -1.47080469 -0.05073491 1.01082471 1.24764294 0.49853261 -1.26417072 -0.89417765 0.68932454 1.09490988 -10.94744577 -12.72066574 -20.41919521 -20.7188899 1.044E-9 2.335E-9 5.22E-9 1.167E-8 2.61E-8 5.836E-8 1.305E-7 2.918E-7 6.5249999999E-7 0.000001459 0.000003263 0.000007296 0.000016309999999 0.000036479999999 0.000081569999999 146011-65-6 9850056 144213689 A FR145237 Fc5cc(F)cc(F)c5NC(=O)N(Cc1ccccc1)Cc3oc2ccc(C)cc2c3c4ccc(Cl)cc4 Tox21_303375 -NCGC00159406-12 196726206 tox21-ror-cho-viability-p1 set3 2.2 6.6824247267 51.5397022468 1.882123593 53.4218258398 0.4 0.8717052222 0.0010856541 -0.85720495 -1.81602666 -0.55595924 7.7970168 11.82369642 14.51350243 13.48782068 13.78614412 10.79509643 13.37660876 14.71881962 25.48443078 26.6835807 36.35951534 42.57041749 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 69815-49-2 12305037 170465227 Z Noradrenaline bitartrate monohydrate Oc1ccc(cc1O)[C@@H](O)CN.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O Tox21_111640_1 -NCGC00183835-01 196726219 tox21-ror-cho-viability-p1 set3 4 1.11358067 -1.57942039 2.20827614 -1.36525328 -0.40933325 -3.09015066 -2.10522047 0.45347445 -6.74256878 -3.16704148 -1.20750188 -2.79452539 -3.42676247 0.68249115 -1.71666779 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 14261-75-7 26602 144206822 A A Cloforex Clc1ccc(CC(C)(C)NC(=O)OCC)cc1 Tox21_113271 -NCGC00253673-01 196726222 tox21-ror-cho-viability-p1 set3 4 2.84812196 0.79664524 -0.96279095 -0.10228174 3.20502753 1.98596146 4.07902534 4.33867762 1.9041681 8.93424785 6.61912188 -0.1354846 1.59294077 -0.46513742 7.2008938 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 1660-95-3 74266 170466767 Fc A Tetraisopropyl methylenediphosphonate O=P(CP(=O)(OC(C)C)OC(C)C)(OC(C)C)OC(C)C Tox21_113797 -NCGC00257050-01 196726629 tox21-ror-cho-viability-p1 set3 -3 57.9931679125 -48.2418606333 2.271640866 -45.9702197673 4.9549173134 0.9479382896 0.0000105042 1.10412394 -2.56456818 -1.32020827 1.39598204 1.17778074 1.89113532 0.39257274 4.28566724 0.95160724 5.37341294 6.49557969 4.31352873 3.40555685 -1.80843447 -38.07160299 1.026E-9 2.295E-9 5.132E-9 1.147E-8 2.5659999999E-8 5.737E-8 1.283E-7 2.8689999999E-7 6.4149999999E-7 0.000001434 0.0000032069999999 0.0000071719999999 0.00001604 0.00003586 0.00008018 3194-55-6 18529 144213493 A A 1,2,5,6,9,10-Hexabromocyclododecane BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br Tox21_303176 -NCGC00256633-01 196726630 tox21-ror-cho-viability-p1 set3 4 2.27832431 1.06783648 -1.21900223 -1.07579362 -1.83093446 -2.3555818 -1.40644186 -3.23354656 -2.39572119 -26.26647672 0 -0.49159174 -4.16621659 -1.00612852 1.9798641 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.2979999999E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-47-3 7194 144212939 A A 2-Phenylethyl benzoate O=C(OCCc1ccccc1)c2ccccc2 Tox21_302622 -NCGC00257473-01 196726631 tox21-ror-cho-viability-p1 set3 4 0.06957423 0.96798224 2.65031814 1.29571464 1.93671751 1.92349065 0.3120613 1.64945084 0.2000152 0.49369051 1.8284692 2.24258546 0.28546735 -0.19569585 -2.17881109 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 32388-55-9 16220111 144213790 A F 1-Cedr-8-en-9-ylethanone CC(=O)C=1C[C@]23C[C@@H](C=1C)C(C)(C)[C@@H]3CC[C@H]2C Tox21_303481 -NCGC00253638-01 196704283 tox21-ror-cho-viability-p1 set1 4 0.15634751 5.79182958 1.10581019 -1.70961124 0.70843392 -0.7059125 2.93424955 1.3832011 -0.10765564 2.12919098 1.25616989 -1.12954792 2.04656707 3.40652217 0.06516291 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 652-37-9 69550 170466658 A A Acephylline O=C(O)Cn2cnc1c2C(=O)N(C)C(=O)N1C Tox21_113765 -NCGC00260218-01 196703859 tox21-ror-cho-viability-p1 set1 4 -2.62816154 -2.92401311 -2.44851875 2.18529995 -4.71625435 -0.33966434 -0.49433916 -0.08907675 2.85410521 -3.71076977 12.82053767 -0.79683912 1.60227892 -0.6729931 3.83601103 1.1779999999E-9 2.635E-9 5.8919999999E-9 1.318E-8 2.9459999999E-8 6.5879999999E-8 1.4729999999E-7 3.294E-7 7.365E-7 0.0000016469999999 0.0000036829999999 0.0000082349999999 0.000018409999999 0.00004117 0.00009206 NOCAS_49386 60196386 144209868 A Fc 1-Methyl-1-propylpiperidinium hexafluorophosphate CCC[N+]1(C)CCCCC1.F[P-](F)(F)(F)(F)F Tox21_202670 -NCGC00263539-01 196704265 tox21-ror-cho-viability-p1 set1 4 33.4914596268 -14.976507624 0 -14.976507624 4.9549173134 0.7628796118 0.0161464494 0.79670659 -0.63418774 -0.34947699 -2.78057264 -2.53260741 0.32853891 0.71588944 4.17079114 -2.66338776 0.23034814 -0.42926636 0.05475351 0.94163862 0.23186483 -12.48042302 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 146939-27-7 60854 170465342 A Ziprasidone O=C4Cc5cc(CCN1CCN(CC1)c3nsc2ccccc23)c(Cl)cc5N4 Tox21_112194_1 -NCGC00163953-03 196704266 tox21-ror-cho-viability-p1 set1 -2.2 61.130564862 -70.592099046 0.2078784989 -70.3842205471 2.9022712143 0.9661490761 9.619E-7 -0.07110678 1.40674638 -2.03568036 -1.20224748 -1.46244386 1.35530755 -1.44214248 0.876742 -2.60460029 8.84226005 -0.1994712 -0.17791627 -3.25304741 -16.32901679 -54.07895496 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 584-79-2 11442 144214035 Ac Ac Allethrin O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC=C Tox21_400074 -NCGC00177995-02 196698405 tox21-ror-cho-viability-p1 set1 4 -2.97378134 -3.02101315 -5.03981328 -4.84438569 -4.97395541 -5.34968764 -4.96502074 -6.75893278 0.05741936 0.7507795 1.05513838 1.90329328 1.77895663 -0.02455761 0.47834945 2.949E-10 6.595E-10 1.475E-9 3.2969999999E-9 7.373E-9 1.649E-8 3.687E-8 8.2439999999E-8 1.8429999999E-7 4.122E-7 9.2169999999E-7 0.000002061 0.000004608 0.0000103 0.00002304 91296-87-6 56207 170466185 A Sarafloxacin hydrochloride Cl.Fc1ccc(cc1)N2C=C(C(=O)O)C(=O)c3cc(F)c(cc23)N4CCNCC4 Tox21_111462_1 -NCGC00015277-17 196698398 tox21-ror-cho-viability-p1 set1 4 4.46304854 0.57165117 0.09485079 -1.65561533 1.92641141 4.40537711 0.12549921 2.0329046 2.70492453 -5.8713805 -0.18767196 -0.11533447 -0.060337 0.69005663 2.94023549 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 28657-80-9 2762 170465414 A Cinoxacin O=C(O)C2=NN(CC)c1cc3OCOc3cc1C2=O Tox21_110121_1 -NCGC00263460-01 196698404 tox21-ror-cho-viability-p1 set1 4 0.58830682 2.50713774 -4.56890745 -0.63835521 -3.37952765 -4.1969816 -4.75193436 -4.11321496 -5.18186379 -0.23894549 -4.3726456 -1.21487675 -0.15841152 1.08055652 -1.02568895 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 137-88-2 8732 170465675 Z Amprolium hydrochloride [Cl-].Cl.CCCc1nc(N)c(cn1)C[n+]2ccccc2C Tox21_110740_1 -NCGC00344550-01 196698406 tox21-ror-cho-viability-p1 set1 4 26.6032120037 -19.089115996 1.5 -17.589115996 4.9549173134 0.7913958817 0.0095428819 1.72656417 1.67534783 -0.69052916 3.55999158 2.94505937 0.52142115 1.55516378 1.29043745 0.35754401 -2.9258812 3.8425429 -2.50391764 6.32471574 -3.48427195 -16.32426333 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10418-03-8 25249 170465251 A A Stanozolol C[C@]2(O)CC[C@H]1[C@@H]3CC[C@H]4Cc5nncc5C[C@]4(C)[C@H]3CC[C@@]12C Tox21_113993 -NCGC00254554-01 196698800 tox21-ror-cho-viability-p1 set1 4 -5.14302642 2.45724993 -5.16064701 -1.88413977 -2.67857476 -3.88180021 -1.71700512 -3.81429751 -4.03450208 -0.98592698 2.41751455 -0.21461787 -3.47456 -2.479462 -1.29564281 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 10024-93-8 66204 144210963 Neodymium(III) chloride Cl[Nd](Cl)Cl Tox21_300646 -NCGC00254201-01 196698814 tox21-ror-cho-viability-p1 set1 4 0.06870658 -0.87458108 0.81232855 1.03713453 -0.63099251 -1.28803173 -4.95948603 0.47559947 1.40647292 0.13471902 -8.87624457 -1.69703362 5.14290266 0.5874353 4.31929645 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 99-97-8 7471 144210382 B N,N,4-Trimethylaniline Cc1ccc(cc1)N(C)C Tox21_300062 -NCGC00090701-06 196698815 tox21-ror-cho-viability-p1 set1 4 9.6885416101 -11.528611292 0 -11.528611292 3.1319983358 0.766428553 0.0150398576 2.20706565 -0.61809538 0.66979316 1.26239223 -5.68080191 0.67818977 -0.93523251 1.46414962 0.17318902 3.37388694 -1.7543909 -1.64826473 -15.44050941 -10.24135294 -9.67767242 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 700-06-1 3712 144214016 FC Indole-3-carbinol OCc2cnc1ccccc12 Tox21_400055 -NCGC00262967-01 196726000 tox21-ror-cho-viability-p1 set3 4 2.76914078 -0.90327748 -0.88537581 2.78950289 -1.20152081 -2.46711878 4.55664603 7.85557611 8.94204028 13.33719372 3.19265742 2.84318099 -1.63455924 2.58370141 -2.50302223 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 10539-19-2 70882 170466298 A A Moxaverine COc1cc3c(cc1OC)cc(CC)nc3Cc2ccccc2 Tox21_113958 -NCGC00090965-04 196725600 tox21-ror-cho-viability-p1 set3 4 0.41484382 2.44603599 9.65420077 -9.23544593 -7.02142188 -2.62997746 0.56403408 -4.42731335 -5.16281578 -2.88003754 -1.90450561 -7.56960215 6.5818881 -8.22735482 -16.32798476 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 94-13-3 7175 144213973 A A Propylparaben Oc1ccc(cc1)C(=O)OCCC Tox21_400012 -NCGC00015442-15 196725602 tox21-ror-cho-viability-p1 set3 -1.2 0.1883363179 -30.357506168 3 -27.357506168 3.0654483358 0.9599840538 0.0000066548 2.34932437 1.76609753 -0.87887832 0.10994369 3.93821222 7.68274478 4.8702459 -10.83201975 -20.86643862 -28.14276846 -31.13125514 -26.36940485 -29.14587767 -22.69070254 15.13952143 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 51-21-8 3385 170464762 Z Fluorouracil FC1=CNC(=O)NC1=O Tox21_110150_1 -NCGC00249417-02 196725603 tox21-ror-cho-viability-p1 set3 4 1.88823707 2.25370083 0.84145907 0.20552778 0.10282689 1.36468836 1.98347415 -0.19325957 0.97628005 3.89848283 7.51289346 1.18611987 2.24762732 0.62421424 1.44712482 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 254877-67-3 213037 170466340 A Ataciguat O=S(=O)(Nc3ccc(Cl)cc3C(=O)Nc1ccc(cc1)S(=O)(=O)N2CCOCC2)c4ccc(Cl)s4 Tox21_113203_1 -NCGC00015397-10 196726008 tox21-ror-cho-viability-p1 set3 4 0.95431151 0.66491385 1.23106376 -0.54932341 -4.42816441 0.91882553 -0.68178019 -2.0194656 0.3041878 -1.00217858 -0.59397024 -1.22897722 0.50688911 -1.1838741 -1.45738049 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 304-84-7 9363 170466295 A Ethamivan Oc1ccc(cc1OC)C(=O)N(CC)CC Tox21_110135_1 -NCGC00018143-05 196726018 tox21-ror-cho-viability-p1 set3 1.2 0.26603212 41.1628791857 2.7789848839 43.9418640696 1.4641 0.9144144244 0.0002890875 5.34105094 4.14231942 0.58624825 3.88653884 10.32373053 -4.07722932 2.31804061 19.66649344 34.23325678 29.20616102 35.83584457 52.48956932 34.8067063 46.12810887 42.04380052 5.8989999999E-10 1.319E-9 2.9489999999E-9 6.595E-9 1.4749999999E-8 3.297E-8 7.373E-8 1.6489999999E-7 3.687E-7 8.244E-7 0.000001843 0.000004122 0.000009217 0.000020609999999 0.00004608 93106-60-6 71188 170465572 A Enrofloxacin CCN1CCN(CC1)c2cc3N(C=C(C(=O)O)C(=O)c3cc2F)C4CC4 Tox21_110831_1 -NCGC00259161-01 196721591 tox21-ror-cho-viability-p1 set3 4 2.46601439 -6.24881778 -3.33118049 -0.15372534 2.70113072 3.7800303 -10.82759001 -4.78602216 3.33030269 0.53893173 0.36411218 -8.60858253 -4.30189054 7.19698793 0.56958338 1.175E-9 2.6269999999E-9 5.8739999999E-9 1.3129999999E-8 2.9369999999E-8 6.567E-8 1.468E-7 3.2829999999E-7 7.3419999999E-7 0.000001642 0.0000036709999999 0.0000082089999999 0.00001835 0.00004104 0.00009177 64-77-7 5505 144208810 A A Tolbutamide Cc1ccc(cc1)S(=O)(=O)NC(=O)NCCCC Tox21_201612 -NCGC00259203-01 196721198 tox21-ror-cho-viability-p1 set3 4 -2.72304503 -2.53264102 -2.59394804 4.39313382 -0.95314271 -9.62376137 -1.91810993 1.79075188 -1.65484398 -0.24344836 2.7620473 -6.43348306 -1.36499288 -8.44801522 0.03046975 1.146E-9 2.564E-9 5.732E-9 1.282E-8 2.866E-8 6.4089999999E-8 1.433E-7 3.204E-7 7.165E-7 0.000001602 0.000003583 0.0000080109999999 0.00001791 0.00004006 0.000089569999999 141-86-6 8861 144208852 A D 2,6-Diaminopyridine Nc1cccc(N)n1 Tox21_201654 -NCGC00259292-01 196721576 tox21-ror-cho-viability-p1 set3 4 -6.454921 -6.23001904 -4.65455047 3.67892976 -4.30614953 -7.03236778 -5.35696811 -5.43332253 -5.6472367 -0.76163439 -3.28357303 -4.59156893 -4.26641799 -1.51243627 0.7311462 1.1859999999E-9 2.6519999999E-9 5.93E-9 1.326E-8 2.9649999999E-8 6.6299999999E-8 1.482E-7 3.315E-7 7.4119999999E-7 0.000001657 0.0000037059999999 0.000008287 0.00001853 0.000041439999999 0.00009265 80-09-1 6626 144208941 A A 4,4'-Sulfonyldiphenol Oc1ccc(cc1)S(=O)(=O)c2ccc(O)cc2 Tox21_201743 -NCGC00258986-01 196721583 tox21-ror-cho-viability-p1 set3 4 -5.34185752 -2.71167934 -2.84645177 -1.47060214 -3.98637257 -7.0682544 -4.32815042 -4.16315321 -7.22248981 -2.94848024 -6.40013963 -5.78231787 -3.98970458 2.72011965 2.13358261 1.21E-9 2.706E-9 6.051E-9 1.353E-8 3.0259999999E-8 6.765E-8 1.5129999999E-7 3.3829999999E-7 7.564E-7 0.000001691 0.000003782 0.000008457 0.00001891 0.00004228 0.00009455 1702-17-6 15553 144208633 A A Clopyralid Clc1ccc(Cl)nc1C(=O)O Tox21_201435 -NCGC00259656-01 196721596 tox21-ror-cho-viability-p1 set3 4 -6.47209085 -5.74204413 -0.70529747 -9.05526698 0.9459589 -9.39894549 -3.46312858 -5.80719595 -5.73332734 -0.8793794 -5.32158885 -2.65572799 -5.47756266 -7.57447559 -6.14396757 1.1779999999E-9 2.634E-9 5.889E-9 1.3169999999E-8 2.945E-8 6.585E-8 1.472E-7 3.2919999999E-7 7.3619999999E-7 0.0000016459999999 0.000003681 0.000008231 0.000018399999999 0.00004115 0.000092019999999 51-17-2 5798 144209305 A A Benzimidazole c1cccc2ncnc12 Tox21_202107 -NCGC00259290-01 196721978 tox21-ror-cho-viability-p1 set3 4 -6.28547376 -3.60670805 -2.10757124 2.05577326 -2.48935442 -4.68046253 -4.21830797 -4.36361854 -4.66602755 -1.53163769 -4.0190361 -4.04989108 -3.89374981 -3.49550574 -2.76381467 1.211E-9 2.7079999999E-9 6.056E-9 1.3539999999E-8 3.028E-8 6.771E-8 1.514E-7 3.385E-7 7.57E-7 0.000001693 0.0000037849999999 0.0000084629999999 0.00001892 0.00004232 0.00009462 51-52-5 657298 144208939 A A 6-Propyl-2-thiouracil S=C1NC(CCC)=CC(=O)N1 Tox21_201741 -NCGC00163724-03 196721977 tox21-ror-cho-viability-p1 set3 4 27.3060203028 13.2240016439 -8.7240016439 4.5 4.9549173134 0.3664023081 0.3208416559 -8.81310894 -9.67397388 -4.20158633 -3.43916911 -10.39315565 -17.27000137 -6.23109031 -11.07143208 -10.13381931 -0.53626338 -12.06826942 -12.06795376 -7.03806518 3.07857109 -15.47154522 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 950-37-8 13709 144214010 B D Methidathion O=C1SC(=NN1CSP(=S)(OC)OC)OC Tox21_400049 -NCGC00259698-01 196722008 tox21-ror-cho-viability-p1 set3 4 -2.07603692 -2.86585756 -1.12461782 3.27668277 -3.1635392 -6.93171745 -9.92139517 -4.36573713 -5.91869655 -2.43629547 -5.92838179 -7.15464058 -10.62914288 3.08575574 -2.30563373 1.182E-9 2.644E-9 5.9119999999E-9 1.322E-8 2.9559999999E-8 6.6089999999E-8 1.4779999999E-7 3.305E-7 7.3889999999E-7 0.0000016519999999 0.0000036949999999 0.000008262 0.000018469999999 0.00004131 0.00009237 143-07-7 3893 144209347 A A Dodecanoic acid O=C(O)CCCCCCCCCCC Tox21_202149 -NCGC00090858-02 196721219 tox21-ror-cho-viability-p1 set3 4 -1.80303623 -3.26516492 -10.56368479 1.19863982 -3.34738428 -1.954075 -2.30163062 -1.81894892 -2.48627432 -0.76471215 -3.40304535 -0.25549672 -0.95165852 -1.37841494 3.84752238 1.18E-9 2.638E-9 5.8989999999E-9 1.319E-8 2.9489999999E-8 6.5949999999E-8 1.475E-7 3.297E-7 7.3729999999E-7 0.000001649 0.0000036869999999 0.000008244 0.000018429999999 0.000041219999999 0.00009217 74-11-3 6318 144214023 A A 4-Chlorobenzoic acid OC(=O)c1ccc(Cl)cc1 Tox21_400062 -NCGC00258785-01 196721610 tox21-ror-cho-viability-p1 set3 4 -9.03996422 -4.89592516 -5.66944187 -0.66797874 0.65345151 -1.92459431 -7.7398488 -8.568938 -9.93260791 -8.06328309 -5.89408855 -8.57240147 -9.94255493 -11.00509061 1.59080177 1.1859999999E-9 2.651E-9 5.928E-9 1.326E-8 2.964E-8 6.628E-8 1.482E-7 3.3139999999E-7 7.41E-7 0.000001657 0.000003705 0.000008285 0.00001853 0.00004142 0.000092629999999 134-32-7 8640 144208431 A A 1-Naphthylamine Nc2cccc1ccccc12 Tox21_201233 -NCGC00259155-01 196722006 tox21-ror-cho-viability-p1 set3 4 -12.03378955 -14.62808122 -8.88224094 -6.72579223 -10.94471148 -16.06288111 -1.65054691 -15.30351681 -10.53855136 -0.04552238 -10.47684672 -12.61227645 -8.45429055 -1.55793573 -1.47876627 1.1739999999E-9 2.624E-9 5.868E-9 1.312E-8 2.934E-8 6.561E-8 1.4669999999E-7 3.28E-7 7.335E-7 0.0000016399999999 0.000003667 0.000008201 0.00001834 0.000041 0.00009169 100-97-0 4101 144208804 B A Methenamine C1N3CN2CN(CN1C2)C3 Tox21_201606 -NCGC00258823-01 196722012 tox21-ror-cho-viability-p1 set3 4 15.0902229989 7.355731616 -4.355731616 3 4.9549173134 0.5511374103 0.1359591752 -6.03830151 -4.03290971 1.35460346 -1.21440717 -4.2499236 -8.21310968 -1.92159516 -3.01197229 -5.83748213 -5.93180216 -4.07244004 -7.31904124 1.69656634 2.40646771 3.12218252 1.163E-9 2.5999999999E-9 5.8149999999E-9 1.2999999999E-8 2.9069999999E-8 6.501E-8 1.454E-7 3.2509999999E-7 7.269E-7 0.000001625 0.000003634 0.000008127 0.00001817 0.00004063 0.00009086 1703-58-8 15560 144208469 A A 1,2,3,4-Butanetetracarboxylic acid OC(=O)CC(C(CC(=O)O)C(=O)O)C(=O)O Tox21_201271 -NCGC00259065-01 196722020 tox21-ror-cho-viability-p1 set3 4 0.21661812 -2.38543451 0.32260652 -0.30592864 -3.96936639 -1.91350925 -6.38145887 1.45357011 -4.72757459 -2.98047821 -3.86760046 -5.28937423 0.21549214 -1.08617715 2.42045977 1.194E-9 2.6689999999E-9 5.968E-9 1.3339999999E-8 2.9839999999E-8 6.672E-8 1.4919999999E-7 3.3359999999E-7 7.4599999999E-7 0.000001668 0.00000373 0.00000834 0.00001865 0.0000417 0.000093249999999 98-52-2 7391 144208713 A A 4-tert-Butylcyclohexanol CC(C)(C)C1CCC(O)CC1 Tox21_201515 -NCGC00259361-01 196722023 tox21-ror-cho-viability-p1 set3 4 52.4941888609 8.17921198 -4.67921198 3.5 4.9549173134 0.597371564 0.1017642975 -7.23267665 -5.38748844 -5.19224575 -0.3829895 -3.48153148 -5.35333965 -5.05792546 -3.90389286 -5.82373058 -2.4715647 -4.78161847 -4.59236388 -5.54636018 -2.83495439 2.82543218 1.144E-9 2.5569999999E-9 5.7179999999E-9 1.278E-8 2.859E-8 6.392E-8 1.429E-7 3.196E-7 7.147E-7 0.000001598 0.000003573 0.00000799 0.00001787 0.00003995 0.00008934 57-55-6 1030 144209010 A A 1,2-Propylene glycol CC(O)CO Tox21_201812